diff --git a/pdb2sql/StructureSimilarity.py b/pdb2sql/StructureSimilarity.py index 1846d23..be79612 100644 --- a/pdb2sql/StructureSimilarity.py +++ b/pdb2sql/StructureSimilarity.py @@ -62,6 +62,23 @@ def __init__(self, decoy, ref, verbose=False): def __repr__(self): return f'{self.__module__}.{self.__class__.__name__}({self.decoy}, {self.ref}, {self.verbose})' + def check_residues(self): + """Check if the residue numbering matches.""" + + res_ref = pdb2sql(self.ref).get_residues() + res_dec = pdb2sql(self.decoy).get_residues() + + if res_ref != res_dec: + print('Residues are different in the reference and decoy') + print('Residues found in %s and not in %s' % + (self.ref, self.decoy)) + print(set(res_ref).difference(set(res_dec))) + print('Residues found in %s and not in %s' % + (self.decoy, self.ref)) + print(set(res_dec).difference(set(res_ref))) + raise ValueError( + 'Residue numbering not identical in ref and decoy') + ########################################################################## # # FAST ROUTINE TO COMPUTE THE L-RMSD @@ -71,16 +88,14 @@ def __repr__(self): # ########################################################################## - # TODO add output zone files - # compute the L-RMSD - def compute_lrmsd_fast(self, lzone=None, method='svd', check=True): + def compute_lrmsd_fast(self, lzone=None, method='svd', check=True, name=['C', 'CA', 'N', 'O']): """Fast routine to compute the L-RMSD. L-RMSD is computed by aligning the longest chain of the decoy to the one of the reference and computing the RMSD of the shortest - chain between decoy and reference. Both fitting and rms calculation - use only backbone atoms. See reference: + chain between decoy and reference. By default, both fitting and + rms calculation use only backbone atoms. See reference: DockQ: A Quality Measure for Protein-Protein Docking Models https://doi.org/10.1371/journal.pone.0161879 @@ -92,6 +107,8 @@ def compute_lrmsd_fast(self, lzone=None, method='svd', check=True): 'svd' or 'quaternion'. check (bool, optional): Check if the sequences are aligned and fix it if not. Defaults to True. + name (list, optional): atom name to include in the zone. + Defaults to ['C', 'CA', 'N', 'O'] Returns: float: L-RMSD value of the conformation @@ -115,30 +132,39 @@ def compute_lrmsd_fast(self, lzone=None, method='svd', check=True): # 1. get_data_zone_backbone returns in_zone and not_in_zone # here the in_zone defines the zone for fitting, # and not_in_zone defines the zone for rms calculation. - # 2. the decoy and ref pdb must have consistent residue - # numbering, otherwise e.g. shifted numbering can also give - # results which is totally wrong, because the code here does - # not do sequence alignment. + + self.check_residues() data_decoy_long, data_decoy_short = self.get_data_zone_backbone( - self.decoy, resData, return_not_in_zone=True) + self.decoy, resData, return_not_in_zone=True, name=name) + data_ref_long, data_ref_short = self.get_data_zone_backbone( - self.ref, resData, return_not_in_zone=True) + self.ref, resData, return_not_in_zone=True, name=name) + + if data_decoy_long.symmetric_difference(data_ref_long) != set(): + raise ValueError( + 'Issue in the calculation of the l-rmsd') atom_long = data_ref_long.intersection(data_decoy_long) xyz_decoy_long = self._get_xyz(self.decoy, atom_long) xyz_ref_long = self._get_xyz(self.ref, atom_long) + if data_decoy_short.symmetric_difference(data_ref_short) != set(): + raise ValueError( + 'Issue in the calculation of the l-rmsd') + atom_short = data_ref_short.intersection(data_decoy_short) xyz_decoy_short = self._get_xyz(self.decoy, atom_short) xyz_ref_short = self._get_xyz(self.ref, atom_short) # extract the xyz else: + xyz_decoy_long, xyz_decoy_short = self.get_xyz_zone_backbone( - self.decoy, resData, return_not_in_zone=True) + self.decoy, resData, return_not_in_zone=True, name=name) + xyz_ref_long, xyz_ref_short = self.get_xyz_zone_backbone( - self.ref, resData, return_not_in_zone=True) + self.ref, resData, return_not_in_zone=True, name=name) xyz_decoy_short = superpose_selection( xyz_decoy_short, xyz_decoy_long, xyz_ref_long, method) @@ -218,12 +244,8 @@ def compute_lzone(self, save_file=True, filename=None): # ########################################################################## - def compute_irmsd_fast( - self, - izone=None, - method='svd', - cutoff=10, - check=True): + def compute_irmsd_fast(self, izone=None, method='svd', + cutoff=10, check=True): """Fast method to compute the i-rmsd. i-RMSD is computed by selecting the backbone atoms of reference @@ -254,16 +276,25 @@ def compute_irmsd_fast( # read the izone file if izone is None: resData = self.compute_izone(cutoff, save_file=False) + elif not os.path.isfile(izone): + resData = self.compute_izone( + cutoff, save_file=True, filename=izone) else: resData = self.read_zone(izone) if check: + self.check_residues() + data_decoy = self.get_data_zone_backbone( self.decoy, resData, return_not_in_zone=False) data_ref = self.get_data_zone_backbone( self.ref, resData, return_not_in_zone=False) + if data_ref.symmetric_difference(data_decoy) != set(): + raise ValueError( + 'Issue in the calculation of the i-rmsd') + atom_common = data_ref.intersection(data_decoy) xyz_contact_decoy = self._get_xyz(self.decoy, atom_common) xyz_contact_ref = self._get_xyz(self.ref, atom_common) @@ -277,7 +308,8 @@ def compute_irmsd_fast( # superpose the fragments xyz_contact_decoy = superpose_selection(xyz_contact_decoy, - xyz_contact_decoy, xyz_contact_ref, method) + xyz_contact_decoy, + xyz_contact_ref, method) # return the RMSD return self.get_rmsd(xyz_contact_decoy, xyz_contact_ref) @@ -473,7 +505,7 @@ def compute_residue_pairs_ref( ########################################################################## # compute the L-RMSD - def compute_lrmsd_pdb2sql(self, exportpath=None, method='svd'): + def compute_lrmsd_pdb2sql(self, exportpath=None, method='svd', **kwargs): """Slow routine to compute the L-RMSD. L-RMSD is computed by aligning the longest chain of the decoy to @@ -490,6 +522,12 @@ def compute_lrmsd_pdb2sql(self, exportpath=None, method='svd'): method (str, optional): Method to align the fragments, 'svd' or 'quaternion'. + Kwargs: selection keywords used in the pdb2sql.get() method : + 'rowID', 'serial', 'name', 'altLoc', + 'resName', 'resSeq', 'iCode', + 'x', 'y', 'z', 'occ', 'temp', 'element', 'model' + + Returns: float: L-RMSD value of the conformation @@ -497,6 +535,12 @@ def compute_lrmsd_pdb2sql(self, exportpath=None, method='svd'): :meth:`compute_lrmsd_fast` """ backbone = ['CA', 'C', 'N', 'O'] + if 'name' not in kwargs: + kwargs['name'] = backbone + + if 'chainID' in kwargs: + raise ValueError( + 'do not specify chainID in compute_lrmsd_pdb2sql') # create the sql sql_decoy = pdb2sql(self.decoy, sqlfile='decoy.db') @@ -515,24 +559,24 @@ def compute_lrmsd_pdb2sql(self, exportpath=None, method='svd'): # extract the pos of chains A xyz_decoy_A = np.array( - sql_decoy.get('x,y,z', chainID=chain1, name=backbone)) + sql_decoy.get('x,y,z', chainID=chain1, **kwargs)) xyz_ref_A = np.array(sql_ref.get( - 'x,y,z', chainID=chain1, name=backbone)) + 'x,y,z', chainID=chain1, **kwargs)) # extract the pos of chains B xyz_decoy_B = np.array( - sql_decoy.get('x,y,z', chainID=chain2, name=backbone)) + sql_decoy.get('x,y,z', chainID=chain2, **kwargs)) xyz_ref_B = np.array(sql_ref.get( - 'x,y,z', chainID=chain2, name=backbone)) + 'x,y,z', chainID=chain2, **kwargs)) # check the lengthes if len(xyz_decoy_A) != len(xyz_ref_A): xyz_decoy_A, xyz_ref_A = self.get_identical_atoms( - sql_decoy, sql_ref, chain1) + sql_decoy, sql_ref, chain1, **kwargs) if len(xyz_decoy_B) != len(xyz_ref_B): xyz_decoy_B, xyz_ref_B = self.get_identical_atoms( - sql_decoy, sql_ref, chain2) + sql_decoy, sql_ref, **kwargs) # detect which chain is the longest nA, nB = len(xyz_decoy_A), len(xyz_decoy_B) @@ -611,7 +655,7 @@ def compute_lrmsd_pdb2sql(self, exportpath=None, method='svd'): # RETURN THE ATOMS THAT ARE SHARED BY THE TWO DB # FOR A GIVEN CHAINID @staticmethod - def get_identical_atoms(db1, db2, chain): + def get_identical_atoms(db1, db2, chain, **kwargs): """Return that atoms shared by both databse for a specific chain. Args: @@ -619,15 +663,20 @@ def get_identical_atoms(db1, db2, chain): db2 (TYPE): pdb2sql database of the 2nd conformation chain (str): chain name + Kwargs: selection keywords used in the pdb2sql.get() method : + 'rowID', 'serial', 'name', 'altLoc', + 'resName', 'chainID', 'resSeq', 'iCode', + 'x', 'y', 'z', 'occ', 'temp', 'element', 'model' + Returns: list, list: list of xyz for both database """ - backbone = ['CA', 'C', 'N', 'O'] + # get data data1 = db1.get('chainID,resSeq,name', - chainID=chain, name=backbone) + chainID=chain, **kwargs) data2 = db2.get('chainID,resSeq,name', - chainID=chain, name=backbone) + chainID=chain, **kwargs) # tuplify data1 = [tuple(d1) for d1 in data1] @@ -922,7 +971,7 @@ def compute_fnat_pdb2sql(self, cutoff=5.0): # ########################################################################## @staticmethod - def get_xyz_zone_backbone(pdb_file, resData, return_not_in_zone=False): + def get_xyz_zone_backbone(pdb_file, resData, return_not_in_zone=False, name=['C', 'CA', 'N', 'O']): """Get the xyz of zone backbone atoms. Args: @@ -950,18 +999,17 @@ def get_xyz_zone_backbone(pdb_file, resData, return_not_in_zone=False): chainID = line[72] resSeq = int(line[22:26]) - name = line[12:16].strip() + atname = line[12:16].strip() x = float(line[30:38]) y = float(line[38:46]) z = float(line[46:54]) - backbone = ['C', 'CA', 'N', 'O'] - if chainID in resData.keys(): - if resSeq in resData[chainID] and name in backbone: - xyz_in_zone.append([x, y, z]) - else: - if name in backbone: + if atname in name: + if chainID in resData.keys(): + if resSeq in resData[chainID]: + xyz_in_zone.append([x, y, z]) + else: xyz_not_in_zone.append([x, y, z]) if return_not_in_zone: @@ -971,7 +1019,7 @@ def get_xyz_zone_backbone(pdb_file, resData, return_not_in_zone=False): return xyz_in_zone @staticmethod - def get_data_zone_backbone(pdb_file, resData, return_not_in_zone=False): + def get_data_zone_backbone(pdb_file, resData, return_not_in_zone=False, name=['C', 'CA', 'N', 'O']): """Get the data (chainID, resSeq, name) of backbone atoms in the zone. Args: @@ -999,19 +1047,14 @@ def get_data_zone_backbone(pdb_file, resData, return_not_in_zone=False): chainID = line[72] resSeq = int(line[22:26]) - name = line[12:16].strip() - - backbone = ['C', 'CA', 'N', 'O'] - - if chainID in resData.keys(): - - if resSeq in resData[chainID] and name in backbone: - data_in_zone.append((chainID, resSeq, name)) - - else: - if name in backbone: - data_not_in_zone.append( - (chainID, resSeq, name)) + atname = line[12:16].strip() + + if atname in name: + if chainID in resData.keys(): + if resSeq in resData[chainID]: + data_in_zone.append((chainID, resSeq, atname)) + else: + data_not_in_zone.append((chainID, resSeq, atname)) if return_not_in_zone: return set(data_in_zone), set(data_not_in_zone) diff --git a/test/pdb/1AK4/1AK4_5w.pdb b/test/pdb/1AK4/1AK4_5w.pdb index 95f1087..d194632 100644 --- a/test/pdb/1AK4/1AK4_5w.pdb +++ b/test/pdb/1AK4/1AK4_5w.pdb @@ -2953,12 +2953,4 @@ ATOM 2912 OH TYR B 145 -31.997 15.593 0.288 1.00 10.00 B ATOM 2913 HH TYR B 145 -31.415 16.340 0.449 1.00 10.00 B ATOM 2914 C TYR B 145 -35.691 15.026 7.243 1.00 10.00 B ATOM 2915 O TYR B 145 -36.878 14.913 6.937 1.00 10.00 B -ATOM 2916 N SER B 146 -35.253 14.903 8.489 1.00 10.00 B -ATOM 2917 HN SER B 146 -34.306 15.070 8.683 1.00 10.00 B -ATOM 2918 CA SER B 146 -36.149 14.514 9.572 1.00 10.00 B -ATOM 2919 CB SER B 146 -35.350 14.103 10.810 1.00 10.00 B -ATOM 2920 OG SER B 146 -34.583 15.188 11.306 1.00 10.00 B -ATOM 2921 HG SER B 146 -33.992 15.513 10.613 1.00 10.00 B -ATOM 2922 C SER B 146 -37.134 15.618 9.937 1.00 10.00 B -ATOM 2923 O SER B 146 -38.105 15.361 10.650 1.00 10.00 B -END +END \ No newline at end of file diff --git a/test/pdb/1AK4/1AK4_5w_nonmatch.pdb b/test/pdb/1AK4/1AK4_5w_nonmatch.pdb new file mode 100644 index 0000000..7c5dd5b --- /dev/null +++ b/test/pdb/1AK4/1AK4_5w_nonmatch.pdb @@ -0,0 +1,2964 @@ +REMARK FILENAME="1AK4_5w.pdb0" +REMARK =============================================================== +REMARK HADDOCK run for 1AK4 +REMARK initial structure: 1AK4_5.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: -39.285, 0, 0, 0, 0, -40.6056, -28.7517, 30.0724, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.193883,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 3, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 1, 9, 0.732715 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: -13.7287 +REMARK Internal energy free molecules: -9971.59 +REMARK Internal energy complex: -9931.35 +REMARK Binding energy: -42.8557 +REMARK =============================================================== +REMARK buried surface area: 1026.38 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:02-May-2019 15:27:51 created by user: enmr049 +REMARK VERSION:1.3U +ATOM 1 N VAL A 2 32.868 8.540 -11.528 1.00 10.00 A +ATOM 2 HN VAL A 2 32.965 8.030 -10.695 1.00 10.00 A +ATOM 3 CA VAL A 2 31.993 9.716 -11.547 1.00 10.00 A +ATOM 4 CB VAL A 2 31.779 10.200 -13.037 1.00 10.00 A +ATOM 5 CG1 VAL A 2 31.172 11.614 -13.039 1.00 10.00 A +ATOM 6 CG2 VAL A 2 33.107 10.218 -13.802 1.00 10.00 A +ATOM 7 C VAL A 2 30.635 9.400 -10.887 1.00 10.00 A +ATOM 8 O VAL A 2 29.988 10.286 -10.313 1.00 10.00 A +ATOM 9 N ASN A 3 30.143 8.158 -10.988 1.00 10.00 A +ATOM 10 HN ASN A 3 30.597 7.501 -11.557 1.00 10.00 A +ATOM 11 CA ASN A 3 28.939 7.776 -10.259 1.00 10.00 A +ATOM 12 CB ASN A 3 28.384 6.423 -10.723 1.00 10.00 A +ATOM 13 CG ASN A 3 27.399 6.488 -11.889 1.00 10.00 A +ATOM 14 OD1 ASN A 3 26.904 7.531 -12.308 1.00 10.00 A +ATOM 15 ND2 ASN A 3 27.068 5.321 -12.404 1.00 10.00 A +ATOM 16 HD21 ASN A 3 27.471 4.503 -12.017 1.00 10.00 A +ATOM 17 HD22 ASN A 3 26.432 5.314 -13.154 1.00 10.00 A +ATOM 18 C ASN A 3 29.329 7.632 -8.797 1.00 10.00 A +ATOM 19 O ASN A 3 30.342 6.984 -8.503 1.00 10.00 A +ATOM 20 N PRO A 4 28.578 8.198 -7.843 1.00 10.00 A +ATOM 21 CA PRO A 4 28.849 8.072 -6.407 1.00 10.00 A +ATOM 22 CB PRO A 4 27.817 8.929 -5.726 1.00 10.00 A +ATOM 23 CG PRO A 4 27.216 9.770 -6.822 1.00 10.00 A +ATOM 24 CD PRO A 4 27.359 8.953 -8.096 1.00 10.00 A +ATOM 25 C PRO A 4 28.813 6.650 -5.849 1.00 10.00 A +ATOM 26 O PRO A 4 28.052 5.778 -6.302 1.00 10.00 A +ATOM 27 N THR A 5 29.727 6.374 -4.921 1.00 10.00 A +ATOM 28 HN THR A 5 30.447 7.016 -4.759 1.00 10.00 A +ATOM 29 CA THR A 5 29.690 5.149 -4.136 1.00 10.00 A +ATOM 30 CB THR A 5 31.041 4.444 -4.081 1.00 10.00 A +ATOM 31 OG1 THR A 5 31.368 4.192 -5.432 1.00 10.00 A +ATOM 32 HG1 THR A 5 30.937 4.850 -5.991 1.00 10.00 A +ATOM 33 CG2 THR A 5 31.031 3.103 -3.356 1.00 10.00 A +ATOM 34 C THR A 5 29.312 5.561 -2.716 1.00 10.00 A +ATOM 35 O THR A 5 29.899 6.517 -2.181 1.00 10.00 A +ATOM 36 N VAL A 6 28.278 4.903 -2.140 1.00 10.00 A +ATOM 37 HN VAL A 6 27.752 4.267 -2.674 1.00 10.00 A +ATOM 38 CA VAL A 6 27.941 5.115 -0.758 1.00 10.00 A +ATOM 39 CB VAL A 6 26.479 5.669 -0.585 1.00 10.00 A +ATOM 40 CG1 VAL A 6 26.369 7.044 -1.233 1.00 10.00 A +ATOM 41 CG2 VAL A 6 25.470 4.724 -1.164 1.00 10.00 A +ATOM 42 C VAL A 6 28.105 3.798 -0.017 1.00 10.00 A +ATOM 43 O VAL A 6 28.113 2.733 -0.621 1.00 10.00 A +ATOM 44 N PHE A 7 28.279 3.824 1.315 1.00 10.00 A +ATOM 45 HN PHE A 7 28.284 4.692 1.777 1.00 10.00 A +ATOM 46 CA PHE A 7 28.445 2.615 2.091 1.00 10.00 A +ATOM 47 CB PHE A 7 29.897 2.506 2.673 1.00 10.00 A +ATOM 48 CG PHE A 7 30.261 3.448 3.829 1.00 10.00 A +ATOM 49 CD1 PHE A 7 30.743 4.715 3.554 1.00 10.00 A +ATOM 50 CD2 PHE A 7 30.043 3.047 5.149 1.00 10.00 A +ATOM 51 CE1 PHE A 7 30.962 5.595 4.602 1.00 10.00 A +ATOM 52 CE2 PHE A 7 30.220 3.948 6.187 1.00 10.00 A +ATOM 53 CZ PHE A 7 30.671 5.226 5.909 1.00 10.00 A +ATOM 54 C PHE A 7 27.442 2.626 3.229 1.00 10.00 A +ATOM 55 O PHE A 7 26.978 3.683 3.669 1.00 10.00 A +ATOM 56 N PHE A 8 27.151 1.430 3.713 1.00 10.00 A +ATOM 57 HN PHE A 8 27.500 0.632 3.254 1.00 10.00 A +ATOM 58 CA PHE A 8 26.332 1.256 4.879 1.00 10.00 A +ATOM 59 CB PHE A 8 24.960 0.572 4.623 1.00 10.00 A +ATOM 60 CG PHE A 8 23.816 1.360 3.972 1.00 10.00 A +ATOM 61 CD1 PHE A 8 23.901 2.720 3.691 1.00 10.00 A +ATOM 62 CD2 PHE A 8 22.641 0.674 3.667 1.00 10.00 A +ATOM 63 CE1 PHE A 8 22.816 3.397 3.138 1.00 10.00 A +ATOM 64 CE2 PHE A 8 21.565 1.362 3.109 1.00 10.00 A +ATOM 65 CZ PHE A 8 21.650 2.715 2.856 1.00 10.00 A +ATOM 66 C PHE A 8 27.113 0.297 5.752 1.00 10.00 A +ATOM 67 O PHE A 8 27.583 -0.731 5.271 1.00 10.00 A +ATOM 68 N ASP A 9 27.288 0.585 7.045 1.00 10.00 A +ATOM 69 HN ASP A 9 27.062 1.488 7.370 1.00 10.00 A +ATOM 70 CA ASP A 9 27.800 -0.396 7.982 1.00 10.00 A +ATOM 71 CB ASP A 9 28.783 0.244 8.967 1.00 10.00 A +ATOM 72 CG ASP A 9 30.131 0.493 8.302 1.00 10.00 A +ATOM 73 OD1 ASP A 9 30.612 -0.369 7.564 1.00 10.00 A +ATOM 74 OD2 ASP A 9 30.719 1.531 8.552 1.00 10.00 A +ATOM 75 C ASP A 9 26.634 -0.975 8.732 1.00 10.00 A +ATOM 76 O ASP A 9 25.904 -0.271 9.414 1.00 10.00 A +ATOM 77 N ILE A 10 26.459 -2.275 8.526 1.00 10.00 A +ATOM 78 HN ILE A 10 27.097 -2.760 7.951 1.00 10.00 A +ATOM 79 CA ILE A 10 25.365 -3.012 9.149 1.00 10.00 A +ATOM 80 CB ILE A 10 24.891 -4.166 8.164 1.00 10.00 A +ATOM 81 CG1 ILE A 10 24.609 -3.638 6.760 1.00 10.00 A +ATOM 82 CG2 ILE A 10 23.616 -4.789 8.706 1.00 10.00 A +ATOM 83 CD1 ILE A 10 23.481 -2.620 6.638 1.00 10.00 A +ATOM 84 C ILE A 10 25.701 -3.600 10.524 1.00 10.00 A +ATOM 85 O ILE A 10 26.794 -4.103 10.758 1.00 10.00 A +ATOM 86 N ALA A 11 24.744 -3.523 11.440 1.00 10.00 A +ATOM 87 HN ALA A 11 23.930 -3.015 11.217 1.00 10.00 A +ATOM 88 CA ALA A 11 24.825 -4.147 12.754 1.00 10.00 A +ATOM 89 CB ALA A 11 24.894 -3.105 13.873 1.00 10.00 A +ATOM 90 C ALA A 11 23.568 -4.970 12.958 1.00 10.00 A +ATOM 91 O ALA A 11 22.481 -4.669 12.451 1.00 10.00 A +ATOM 92 N VAL A 12 23.765 -6.072 13.660 1.00 10.00 A +ATOM 93 HN VAL A 12 24.684 -6.281 13.953 1.00 10.00 A +ATOM 94 CA VAL A 12 22.700 -6.992 14.033 1.00 10.00 A +ATOM 95 CB VAL A 12 23.058 -8.418 13.533 1.00 10.00 A +ATOM 96 CG1 VAL A 12 21.954 -9.389 13.914 1.00 10.00 A +ATOM 97 CG2 VAL A 12 23.264 -8.404 12.019 1.00 10.00 A +ATOM 98 C VAL A 12 22.657 -6.917 15.565 1.00 10.00 A +ATOM 99 O VAL A 12 23.621 -7.306 16.238 1.00 10.00 A +ATOM 100 N ASP A 13 21.548 -6.424 16.131 1.00 10.00 A +ATOM 101 HN ASP A 13 20.775 -6.236 15.550 1.00 10.00 A +ATOM 102 CA ASP A 13 21.423 -6.149 17.553 1.00 10.00 A +ATOM 103 CB ASP A 13 21.133 -7.461 18.289 1.00 10.00 A +ATOM 104 CG ASP A 13 19.687 -7.914 18.206 1.00 10.00 A +ATOM 105 OD1 ASP A 13 18.799 -7.130 17.878 1.00 10.00 A +ATOM 106 OD2 ASP A 13 19.439 -9.079 18.500 1.00 10.00 A +ATOM 107 C ASP A 13 22.665 -5.467 18.144 1.00 10.00 A +ATOM 108 O ASP A 13 23.294 -5.938 19.102 1.00 10.00 A +ATOM 109 N GLY A 14 23.093 -4.389 17.496 1.00 10.00 A +ATOM 110 HN GLY A 14 22.627 -4.099 16.685 1.00 10.00 A +ATOM 111 CA GLY A 14 24.235 -3.653 17.976 1.00 10.00 A +ATOM 112 C GLY A 14 25.596 -4.204 17.545 1.00 10.00 A +ATOM 113 O GLY A 14 26.566 -3.448 17.483 1.00 10.00 A +ATOM 114 N GLU A 15 25.723 -5.495 17.245 1.00 10.00 A +ATOM 115 HN GLU A 15 24.931 -6.078 17.286 1.00 10.00 A +ATOM 116 CA GLU A 15 26.999 -6.067 16.857 1.00 10.00 A +ATOM 117 CB GLU A 15 27.021 -7.493 17.260 1.00 10.00 A +ATOM 118 CG GLU A 15 27.196 -7.501 18.759 1.00 10.00 A +ATOM 119 CD GLU A 15 27.574 -8.885 19.256 1.00 10.00 A +ATOM 120 OE1 GLU A 15 28.773 -9.203 19.182 1.00 10.00 A +ATOM 121 OE2 GLU A 15 26.681 -9.631 19.700 1.00 10.00 A +ATOM 122 C GLU A 15 27.349 -5.968 15.384 1.00 10.00 A +ATOM 123 O GLU A 15 26.545 -6.368 14.542 1.00 10.00 A +ATOM 124 N PRO A 16 28.528 -5.453 14.998 1.00 10.00 A +ATOM 125 CA PRO A 16 28.874 -5.209 13.602 1.00 10.00 A +ATOM 126 CB PRO A 16 30.253 -4.542 13.646 1.00 10.00 A +ATOM 127 CG PRO A 16 30.791 -4.837 15.020 1.00 10.00 A +ATOM 128 CD PRO A 16 29.543 -4.878 15.890 1.00 10.00 A +ATOM 129 C PRO A 16 28.826 -6.476 12.787 1.00 10.00 A +ATOM 130 O PRO A 16 29.211 -7.533 13.247 1.00 10.00 A +ATOM 131 N LEU A 17 28.238 -6.368 11.609 1.00 10.00 A +ATOM 132 HN LEU A 17 27.858 -5.497 11.348 1.00 10.00 A +ATOM 133 CA LEU A 17 28.116 -7.486 10.693 1.00 10.00 A +ATOM 134 CB LEU A 17 26.667 -7.551 10.135 1.00 10.00 A +ATOM 135 CG LEU A 17 26.370 -8.551 9.037 1.00 10.00 A +ATOM 136 CD1 LEU A 17 26.649 -9.940 9.559 1.00 10.00 A +ATOM 137 CD2 LEU A 17 24.935 -8.429 8.574 1.00 10.00 A +ATOM 138 C LEU A 17 29.128 -7.247 9.582 1.00 10.00 A +ATOM 139 O LEU A 17 30.032 -8.053 9.374 1.00 10.00 A +ATOM 140 N GLY A 18 29.003 -6.092 8.933 1.00 10.00 A +ATOM 141 HN GLY A 18 28.293 -5.470 9.202 1.00 10.00 A +ATOM 142 CA GLY A 18 29.876 -5.733 7.852 1.00 10.00 A +ATOM 143 C GLY A 18 29.411 -4.505 7.094 1.00 10.00 A +ATOM 144 O GLY A 18 28.515 -3.794 7.514 1.00 10.00 A +ATOM 145 N ARG A 19 30.087 -4.233 5.992 1.00 10.00 A +ATOM 146 HN ARG A 19 30.791 -4.862 5.734 1.00 10.00 A +ATOM 147 CA ARG A 19 29.881 -3.096 5.134 1.00 10.00 A +ATOM 148 CB ARG A 19 31.186 -2.335 5.008 1.00 10.00 A +ATOM 149 CG ARG A 19 31.155 -1.147 4.072 1.00 10.00 A +ATOM 150 CD ARG A 19 32.418 -0.317 4.181 1.00 10.00 A +ATOM 151 NE ARG A 19 32.396 0.519 5.376 1.00 10.00 A +ATOM 152 HE ARG A 19 31.699 0.346 6.064 1.00 10.00 A +ATOM 153 CZ ARG A 19 33.299 1.483 5.568 1.00 10.00 A +ATOM 154 NH1 ARG A 19 34.240 1.697 4.649 1.00 10.00 A +ATOM 155 HH11 ARG A 19 34.920 2.417 4.786 1.00 10.00 A +ATOM 156 HH12 ARG A 19 34.267 1.137 3.821 1.00 10.00 A +ATOM 157 NH2 ARG A 19 33.236 2.232 6.686 1.00 10.00 A +ATOM 158 HH21 ARG A 19 33.903 2.957 6.847 1.00 10.00 A +ATOM 159 HH22 ARG A 19 32.507 2.060 7.366 1.00 10.00 A +ATOM 160 C ARG A 19 29.424 -3.543 3.754 1.00 10.00 A +ATOM 161 O ARG A 19 29.938 -4.495 3.154 1.00 10.00 A +ATOM 162 N VAL A 20 28.468 -2.757 3.254 1.00 10.00 A +ATOM 163 HN VAL A 20 28.124 -2.023 3.812 1.00 10.00 A +ATOM 164 CA VAL A 20 27.910 -2.937 1.918 1.00 10.00 A +ATOM 165 CB VAL A 20 26.379 -3.217 1.904 1.00 10.00 A +ATOM 166 CG1 VAL A 20 25.940 -3.562 0.473 1.00 10.00 A +ATOM 167 CG2 VAL A 20 26.037 -4.360 2.807 1.00 10.00 A +ATOM 168 C VAL A 20 28.126 -1.604 1.245 1.00 10.00 A +ATOM 169 O VAL A 20 27.790 -0.577 1.832 1.00 10.00 A +ATOM 170 N SER A 21 28.701 -1.567 0.043 1.00 10.00 A +ATOM 171 HN SER A 21 29.077 -2.385 -0.352 1.00 10.00 A +ATOM 172 CA SER A 21 28.753 -0.309 -0.683 1.00 10.00 A +ATOM 173 CB SER A 21 30.207 0.080 -1.039 1.00 10.00 A +ATOM 174 OG SER A 21 30.795 -0.893 -1.885 1.00 10.00 A +ATOM 175 HG SER A 21 31.651 -1.155 -1.528 1.00 10.00 A +ATOM 176 C SER A 21 27.913 -0.465 -1.957 1.00 10.00 A +ATOM 177 O SER A 21 27.603 -1.571 -2.407 1.00 10.00 A +ATOM 178 N PHE A 22 27.553 0.677 -2.527 1.00 10.00 A +ATOM 179 HN PHE A 22 27.932 1.516 -2.183 1.00 10.00 A +ATOM 180 CA PHE A 22 26.616 0.740 -3.625 1.00 10.00 A +ATOM 181 CB PHE A 22 25.225 1.221 -3.219 1.00 10.00 A +ATOM 182 CG PHE A 22 24.587 0.544 -2.010 1.00 10.00 A +ATOM 183 CD1 PHE A 22 23.928 -0.663 -2.148 1.00 10.00 A +ATOM 184 CD2 PHE A 22 24.716 1.122 -0.760 1.00 10.00 A +ATOM 185 CE1 PHE A 22 23.433 -1.305 -1.025 1.00 10.00 A +ATOM 186 CE2 PHE A 22 24.232 0.477 0.353 1.00 10.00 A +ATOM 187 CZ PHE A 22 23.595 -0.735 0.229 1.00 10.00 A +ATOM 188 C PHE A 22 27.105 1.770 -4.592 1.00 10.00 A +ATOM 189 O PHE A 22 27.515 2.859 -4.206 1.00 10.00 A +ATOM 190 N GLU A 23 27.061 1.405 -5.871 1.00 10.00 A +ATOM 191 HN GLU A 23 26.893 0.463 -6.092 1.00 10.00 A +ATOM 192 CA GLU A 23 27.229 2.370 -6.951 1.00 10.00 A +ATOM 193 CB GLU A 23 27.728 1.671 -8.191 1.00 10.00 A +ATOM 194 CG GLU A 23 27.956 2.687 -9.319 1.00 10.00 A +ATOM 195 CD GLU A 23 28.332 2.072 -10.673 1.00 10.00 A +ATOM 196 OE1 GLU A 23 28.590 0.868 -10.767 1.00 10.00 A +ATOM 197 OE2 GLU A 23 28.351 2.813 -11.655 1.00 10.00 A +ATOM 198 C GLU A 23 25.840 2.991 -7.241 1.00 10.00 A +ATOM 199 O GLU A 23 24.844 2.271 -7.370 1.00 10.00 A +ATOM 200 N LEU A 24 25.729 4.316 -7.309 1.00 10.00 A +ATOM 201 HN LEU A 24 26.533 4.863 -7.157 1.00 10.00 A +ATOM 202 CA LEU A 24 24.479 4.991 -7.600 1.00 10.00 A +ATOM 203 CB LEU A 24 24.274 6.145 -6.626 1.00 10.00 A +ATOM 204 CG LEU A 24 24.285 5.805 -5.143 1.00 10.00 A +ATOM 205 CD1 LEU A 24 23.989 7.074 -4.353 1.00 10.00 A +ATOM 206 CD2 LEU A 24 23.249 4.732 -4.824 1.00 10.00 A +ATOM 207 C LEU A 24 24.557 5.507 -9.030 1.00 10.00 A +ATOM 208 O LEU A 24 25.499 6.188 -9.420 1.00 10.00 A +ATOM 209 N PHE A 25 23.562 5.162 -9.851 1.00 10.00 A +ATOM 210 HN PHE A 25 22.803 4.653 -9.485 1.00 10.00 A +ATOM 211 CA PHE A 25 23.552 5.519 -11.266 1.00 10.00 A +ATOM 212 CB PHE A 25 22.651 4.513 -12.053 1.00 10.00 A +ATOM 213 CG PHE A 25 23.095 3.062 -11.916 1.00 10.00 A +ATOM 214 CD1 PHE A 25 24.440 2.717 -11.995 1.00 10.00 A +ATOM 215 CD2 PHE A 25 22.160 2.088 -11.634 1.00 10.00 A +ATOM 216 CE1 PHE A 25 24.841 1.421 -11.724 1.00 10.00 A +ATOM 217 CE2 PHE A 25 22.572 0.785 -11.401 1.00 10.00 A +ATOM 218 CZ PHE A 25 23.911 0.450 -11.414 1.00 10.00 A +ATOM 219 C PHE A 25 23.098 6.948 -11.531 1.00 10.00 A +ATOM 220 O PHE A 25 22.087 7.211 -12.183 1.00 10.00 A +ATOM 221 N ALA A 26 23.916 7.896 -11.043 1.00 10.00 A +ATOM 222 HN ALA A 26 24.733 7.616 -10.570 1.00 10.00 A +ATOM 223 CA ALA A 26 23.638 9.309 -11.193 1.00 10.00 A +ATOM 224 CB ALA A 26 24.718 10.060 -10.442 1.00 10.00 A +ATOM 225 C ALA A 26 23.568 9.765 -12.652 1.00 10.00 A +ATOM 226 O ALA A 26 22.866 10.711 -12.991 1.00 10.00 A +ATOM 227 N ASP A 27 24.260 9.024 -13.532 1.00 10.00 A +ATOM 228 HN ASP A 27 24.796 8.275 -13.182 1.00 10.00 A +ATOM 229 CA ASP A 27 24.264 9.244 -14.958 1.00 10.00 A +ATOM 230 CB ASP A 27 25.349 8.398 -15.579 1.00 10.00 A +ATOM 231 CG ASP A 27 25.234 6.896 -15.371 1.00 10.00 A +ATOM 232 OD1 ASP A 27 24.755 6.409 -14.346 1.00 10.00 A +ATOM 233 OD2 ASP A 27 25.639 6.178 -16.273 1.00 10.00 A +ATOM 234 C ASP A 27 22.924 8.922 -15.602 1.00 10.00 A +ATOM 235 O ASP A 27 22.540 9.601 -16.540 1.00 10.00 A +ATOM 236 N LYS A 28 22.166 7.929 -15.135 1.00 10.00 A +ATOM 237 HN LYS A 28 22.497 7.388 -14.383 1.00 10.00 A +ATOM 238 CA LYS A 28 20.862 7.629 -15.715 1.00 10.00 A +ATOM 239 CB LYS A 28 20.803 6.141 -15.927 1.00 10.00 A +ATOM 240 CG LYS A 28 21.639 5.869 -17.175 1.00 10.00 A +ATOM 241 CD LYS A 28 21.981 4.417 -17.188 1.00 10.00 A +ATOM 242 CE LYS A 28 22.911 4.048 -18.339 1.00 10.00 A +ATOM 243 NZ LYS A 28 23.367 2.667 -18.179 1.00 10.00 A +ATOM 244 HZ1 LYS A 28 22.553 2.022 -18.154 1.00 10.00 A +ATOM 245 HZ2 LYS A 28 23.901 2.570 -17.291 1.00 10.00 A +ATOM 246 HZ3 LYS A 28 23.984 2.400 -18.972 1.00 10.00 A +ATOM 247 C LYS A 28 19.658 8.115 -14.915 1.00 10.00 A +ATOM 248 O LYS A 28 18.626 8.480 -15.483 1.00 10.00 A +ATOM 249 N VAL A 29 19.769 8.154 -13.577 1.00 10.00 A +ATOM 250 HN VAL A 29 20.615 7.861 -13.164 1.00 10.00 A +ATOM 251 CA VAL A 29 18.700 8.615 -12.708 1.00 10.00 A +ATOM 252 CB VAL A 29 17.988 7.444 -11.942 1.00 10.00 A +ATOM 253 CG1 VAL A 29 16.986 6.794 -12.866 1.00 10.00 A +ATOM 254 CG2 VAL A 29 18.949 6.391 -11.490 1.00 10.00 A +ATOM 255 C VAL A 29 19.283 9.587 -11.702 1.00 10.00 A +ATOM 256 O VAL A 29 19.306 9.330 -10.491 1.00 10.00 A +ATOM 257 N PRO A 30 19.752 10.752 -12.151 1.00 10.00 A +ATOM 258 CA PRO A 30 20.367 11.748 -11.281 1.00 10.00 A +ATOM 259 CB PRO A 30 20.721 12.874 -12.219 1.00 10.00 A +ATOM 260 CG PRO A 30 19.707 12.734 -13.350 1.00 10.00 A +ATOM 261 CD PRO A 30 19.685 11.228 -13.531 1.00 10.00 A +ATOM 262 C PRO A 30 19.551 12.217 -10.088 1.00 10.00 A +ATOM 263 O PRO A 30 20.082 12.263 -8.977 1.00 10.00 A +ATOM 264 N LYS A 31 18.268 12.546 -10.248 1.00 10.00 A +ATOM 265 HN LYS A 31 17.839 12.438 -11.135 1.00 10.00 A +ATOM 266 CA LYS A 31 17.483 13.020 -9.112 1.00 10.00 A +ATOM 267 CB LYS A 31 16.181 13.547 -9.671 1.00 10.00 A +ATOM 268 CG LYS A 31 15.392 14.291 -8.640 1.00 10.00 A +ATOM 269 CD LYS A 31 14.106 14.880 -9.212 1.00 10.00 A +ATOM 270 CE LYS A 31 13.381 15.410 -8.019 1.00 10.00 A +ATOM 271 NZ LYS A 31 12.114 15.964 -8.414 1.00 10.00 A +ATOM 272 HZ1 LYS A 31 11.756 15.473 -9.274 1.00 10.00 A +ATOM 273 HZ2 LYS A 31 12.213 16.975 -8.623 1.00 10.00 A +ATOM 274 HZ3 LYS A 31 11.416 15.842 -7.655 1.00 10.00 A +ATOM 275 C LYS A 31 17.251 11.952 -8.018 1.00 10.00 A +ATOM 276 O LYS A 31 17.333 12.249 -6.818 1.00 10.00 A +ATOM 277 N THR A 32 17.058 10.693 -8.425 1.00 10.00 A +ATOM 278 HN THR A 32 17.068 10.504 -9.397 1.00 10.00 A +ATOM 279 CA THR A 32 16.815 9.596 -7.508 1.00 10.00 A +ATOM 280 CB THR A 32 16.249 8.373 -8.263 1.00 10.00 A +ATOM 281 OG1 THR A 32 15.083 8.798 -8.968 1.00 10.00 A +ATOM 282 HG1 THR A 32 15.354 9.270 -9.774 1.00 10.00 A +ATOM 283 CG2 THR A 32 15.878 7.256 -7.321 1.00 10.00 A +ATOM 284 C THR A 32 18.122 9.199 -6.799 1.00 10.00 A +ATOM 285 O THR A 32 18.116 8.926 -5.595 1.00 10.00 A +ATOM 286 N ALA A 33 19.231 9.217 -7.575 1.00 10.00 A +ATOM 287 HN ALA A 33 19.141 9.455 -8.527 1.00 10.00 A +ATOM 288 CA ALA A 33 20.547 8.885 -7.057 1.00 10.00 A +ATOM 289 CB ALA A 33 21.560 8.845 -8.203 1.00 10.00 A +ATOM 290 C ALA A 33 20.972 9.950 -6.033 1.00 10.00 A +ATOM 291 O ALA A 33 21.450 9.600 -4.960 1.00 10.00 A +ATOM 292 N GLU A 34 20.702 11.222 -6.308 1.00 10.00 A +ATOM 293 HN GLU A 34 20.263 11.433 -7.164 1.00 10.00 A +ATOM 294 CA GLU A 34 21.027 12.310 -5.418 1.00 10.00 A +ATOM 295 CB GLU A 34 20.711 13.648 -6.081 1.00 10.00 A +ATOM 296 CG GLU A 34 21.064 14.898 -5.245 1.00 10.00 A +ATOM 297 CD GLU A 34 22.477 15.001 -4.658 1.00 10.00 A +ATOM 298 OE1 GLU A 34 23.388 14.286 -5.078 1.00 10.00 A +ATOM 299 OE2 GLU A 34 22.676 15.808 -3.756 1.00 10.00 A +ATOM 300 C GLU A 34 20.292 12.239 -4.095 1.00 10.00 A +ATOM 301 O GLU A 34 20.886 12.517 -3.062 1.00 10.00 A +ATOM 302 N ASN A 35 18.995 11.867 -4.124 1.00 10.00 A +ATOM 303 HN ASN A 35 18.564 11.727 -4.996 1.00 10.00 A +ATOM 304 CA ASN A 35 18.211 11.666 -2.917 1.00 10.00 A +ATOM 305 CB ASN A 35 16.801 11.259 -3.335 1.00 10.00 A +ATOM 306 CG ASN A 35 15.893 11.023 -2.156 1.00 10.00 A +ATOM 307 OD1 ASN A 35 15.723 11.921 -1.330 1.00 10.00 A +ATOM 308 ND2 ASN A 35 15.298 9.829 -2.002 1.00 10.00 A +ATOM 309 HD21 ASN A 35 15.475 9.135 -2.669 1.00 10.00 A +ATOM 310 HD22 ASN A 35 14.701 9.700 -1.233 1.00 10.00 A +ATOM 311 C ASN A 35 18.857 10.593 -2.014 1.00 10.00 A +ATOM 312 O ASN A 35 19.102 10.851 -0.827 1.00 10.00 A +ATOM 313 N PHE A 36 19.190 9.401 -2.541 1.00 10.00 A +ATOM 314 HN PHE A 36 19.022 9.234 -3.495 1.00 10.00 A +ATOM 315 CA PHE A 36 19.801 8.355 -1.733 1.00 10.00 A +ATOM 316 CB PHE A 36 19.970 7.109 -2.583 1.00 10.00 A +ATOM 317 CG PHE A 36 20.302 5.856 -1.787 1.00 10.00 A +ATOM 318 CD1 PHE A 36 19.268 5.091 -1.251 1.00 10.00 A +ATOM 319 CD2 PHE A 36 21.629 5.448 -1.640 1.00 10.00 A +ATOM 320 CE1 PHE A 36 19.575 3.907 -0.584 1.00 10.00 A +ATOM 321 CE2 PHE A 36 21.917 4.264 -0.969 1.00 10.00 A +ATOM 322 CZ PHE A 36 20.897 3.487 -0.443 1.00 10.00 A +ATOM 323 C PHE A 36 21.167 8.782 -1.190 1.00 10.00 A +ATOM 324 O PHE A 36 21.464 8.515 -0.038 1.00 10.00 A +ATOM 325 N ARG A 37 21.995 9.390 -2.027 1.00 10.00 A +ATOM 326 HN ARG A 37 21.694 9.520 -2.955 1.00 10.00 A +ATOM 327 CA ARG A 37 23.324 9.879 -1.667 1.00 10.00 A +ATOM 328 CB ARG A 37 24.001 10.580 -2.871 1.00 10.00 A +ATOM 329 CG ARG A 37 25.509 10.842 -2.645 1.00 10.00 A +ATOM 330 CD ARG A 37 26.105 11.928 -3.523 1.00 10.00 A +ATOM 331 NE ARG A 37 25.437 13.186 -3.296 1.00 10.00 A +ATOM 332 HE ARG A 37 24.834 13.523 -4.011 1.00 10.00 A +ATOM 333 CZ ARG A 37 25.573 13.905 -2.176 1.00 10.00 A +ATOM 334 NH1 ARG A 37 26.444 13.584 -1.209 1.00 10.00 A +ATOM 335 HH11 ARG A 37 27.042 12.775 -1.305 1.00 10.00 A +ATOM 336 HH12 ARG A 37 26.507 14.159 -0.381 1.00 10.00 A +ATOM 337 NH2 ARG A 37 24.837 15.007 -2.052 1.00 10.00 A +ATOM 338 HH21 ARG A 37 24.194 15.278 -2.791 1.00 10.00 A +ATOM 339 HH22 ARG A 37 24.914 15.577 -1.224 1.00 10.00 A +ATOM 340 C ARG A 37 23.238 10.873 -0.513 1.00 10.00 A +ATOM 341 O ARG A 37 23.910 10.674 0.504 1.00 10.00 A +ATOM 342 N ALA A 38 22.368 11.888 -0.631 1.00 10.00 A +ATOM 343 HN ALA A 38 21.803 11.948 -1.436 1.00 10.00 A +ATOM 344 CA ALA A 38 22.245 12.900 0.397 1.00 10.00 A +ATOM 345 CB ALA A 38 21.329 13.996 -0.116 1.00 10.00 A +ATOM 346 C ALA A 38 21.700 12.294 1.700 1.00 10.00 A +ATOM 347 O ALA A 38 22.157 12.661 2.782 1.00 10.00 A +ATOM 348 N LEU A 39 20.784 11.306 1.663 1.00 10.00 A +ATOM 349 HN LEU A 39 20.448 10.995 0.791 1.00 10.00 A +ATOM 350 CA LEU A 39 20.272 10.697 2.885 1.00 10.00 A +ATOM 351 CB LEU A 39 19.007 9.887 2.586 1.00 10.00 A +ATOM 352 CG LEU A 39 17.750 10.661 2.173 1.00 10.00 A +ATOM 353 CD1 LEU A 39 16.655 9.715 1.647 1.00 10.00 A +ATOM 354 CD2 LEU A 39 17.277 11.454 3.383 1.00 10.00 A +ATOM 355 C LEU A 39 21.317 9.791 3.524 1.00 10.00 A +ATOM 356 O LEU A 39 21.271 9.531 4.721 1.00 10.00 A +ATOM 357 N SER A 40 22.270 9.294 2.734 1.00 10.00 A +ATOM 358 HN SER A 40 22.240 9.494 1.771 1.00 10.00 A +ATOM 359 CA SER A 40 23.348 8.463 3.246 1.00 10.00 A +ATOM 360 CB SER A 40 24.011 7.668 2.104 1.00 10.00 A +ATOM 361 OG SER A 40 23.095 6.702 1.582 1.00 10.00 A +ATOM 362 HG SER A 40 22.219 6.865 1.943 1.00 10.00 A +ATOM 363 C SER A 40 24.412 9.315 3.944 1.00 10.00 A +ATOM 364 O SER A 40 24.997 8.837 4.914 1.00 10.00 A +ATOM 365 N THR A 41 24.683 10.550 3.483 1.00 10.00 A +ATOM 366 HN THR A 41 24.221 10.881 2.681 1.00 10.00 A +ATOM 367 CA THR A 41 25.661 11.403 4.146 1.00 10.00 A +ATOM 368 CB THR A 41 26.309 12.403 3.179 1.00 10.00 A +ATOM 369 OG1 THR A 41 25.282 13.270 2.722 1.00 10.00 A +ATOM 370 HG1 THR A 41 25.639 13.876 2.049 1.00 10.00 A +ATOM 371 CG2 THR A 41 26.998 11.721 2.010 1.00 10.00 A +ATOM 372 C THR A 41 25.027 12.187 5.275 1.00 10.00 A +ATOM 373 O THR A 41 25.733 12.652 6.163 1.00 10.00 A +ATOM 374 N GLY A 42 23.695 12.350 5.276 1.00 10.00 A +ATOM 375 HN GLY A 42 23.179 11.956 4.539 1.00 10.00 A +ATOM 376 CA GLY A 42 22.992 13.093 6.297 1.00 10.00 A +ATOM 377 C GLY A 42 23.178 14.594 6.162 1.00 10.00 A +ATOM 378 O GLY A 42 22.707 15.337 7.020 1.00 10.00 A +ATOM 379 N GLU A 43 23.793 15.063 5.068 1.00 10.00 A +ATOM 380 HN GLU A 43 24.058 14.423 4.370 1.00 10.00 A +ATOM 381 CA GLU A 43 24.097 16.481 4.869 1.00 10.00 A +ATOM 382 CB GLU A 43 24.906 16.634 3.573 1.00 10.00 A +ATOM 383 CG GLU A 43 24.094 16.364 2.305 1.00 10.00 A +ATOM 384 CD GLU A 43 24.949 16.308 1.059 1.00 10.00 A +ATOM 385 OE1 GLU A 43 25.791 15.411 0.961 1.00 10.00 A +ATOM 386 OE2 GLU A 43 24.762 17.160 0.189 1.00 10.00 A +ATOM 387 C GLU A 43 22.926 17.459 4.839 1.00 10.00 A +ATOM 388 O GLU A 43 23.144 18.665 4.938 1.00 10.00 A +ATOM 389 N LYS A 44 21.687 16.985 4.658 1.00 10.00 A +ATOM 390 HN LYS A 44 21.572 16.027 4.491 1.00 10.00 A +ATOM 391 CA LYS A 44 20.508 17.836 4.696 1.00 10.00 A +ATOM 392 CB LYS A 44 19.415 17.361 3.757 1.00 10.00 A +ATOM 393 CG LYS A 44 19.834 17.113 2.323 1.00 10.00 A +ATOM 394 CD LYS A 44 20.394 18.335 1.643 1.00 10.00 A +ATOM 395 CE LYS A 44 21.057 17.858 0.361 1.00 10.00 A +ATOM 396 NZ LYS A 44 22.020 18.844 -0.109 1.00 10.00 A +ATOM 397 HZ1 LYS A 44 22.137 18.766 -1.139 1.00 10.00 A +ATOM 398 HZ2 LYS A 44 22.946 18.679 0.343 1.00 10.00 A +ATOM 399 HZ3 LYS A 44 21.697 19.803 0.124 1.00 10.00 A +ATOM 400 C LYS A 44 19.913 17.857 6.093 1.00 10.00 A +ATOM 401 O LYS A 44 18.887 18.499 6.304 1.00 10.00 A +ATOM 402 N GLY A 45 20.480 17.146 7.068 1.00 10.00 A +ATOM 403 HN GLY A 45 21.248 16.565 6.861 1.00 10.00 A +ATOM 404 CA GLY A 45 19.991 17.236 8.426 1.00 10.00 A +ATOM 405 C GLY A 45 19.152 16.075 8.898 1.00 10.00 A +ATOM 406 O GLY A 45 18.690 16.084 10.051 1.00 10.00 A +ATOM 407 N PHE A 46 18.915 15.120 7.996 1.00 10.00 A +ATOM 408 HN PHE A 46 19.242 15.259 7.083 1.00 10.00 A +ATOM 409 CA PHE A 46 18.211 13.881 8.285 1.00 10.00 A +ATOM 410 CB PHE A 46 16.694 14.074 8.123 1.00 10.00 A +ATOM 411 CG PHE A 46 16.230 14.660 6.800 1.00 10.00 A +ATOM 412 CD1 PHE A 46 16.183 16.040 6.639 1.00 10.00 A +ATOM 413 CD2 PHE A 46 15.869 13.826 5.751 1.00 10.00 A +ATOM 414 CE1 PHE A 46 15.818 16.576 5.414 1.00 10.00 A +ATOM 415 CE2 PHE A 46 15.490 14.374 4.537 1.00 10.00 A +ATOM 416 CZ PHE A 46 15.469 15.749 4.356 1.00 10.00 A +ATOM 417 C PHE A 46 18.747 12.827 7.306 1.00 10.00 A +ATOM 418 O PHE A 46 19.414 13.142 6.305 1.00 10.00 A +ATOM 419 N GLY A 47 18.489 11.554 7.599 1.00 10.00 A +ATOM 420 HN GLY A 47 17.946 11.338 8.386 1.00 10.00 A +ATOM 421 CA GLY A 47 19.012 10.484 6.766 1.00 10.00 A +ATOM 422 C GLY A 47 18.941 9.100 7.381 1.00 10.00 A +ATOM 423 O GLY A 47 18.282 8.838 8.394 1.00 10.00 A +ATOM 424 N TYR A 48 19.663 8.184 6.751 1.00 10.00 A +ATOM 425 HN TYR A 48 20.270 8.483 6.033 1.00 10.00 A +ATOM 426 CA TYR A 48 19.609 6.767 7.063 1.00 10.00 A +ATOM 427 CB TYR A 48 20.134 5.966 5.847 1.00 10.00 A +ATOM 428 CG TYR A 48 19.281 6.108 4.575 1.00 10.00 A +ATOM 429 CD1 TYR A 48 17.888 6.014 4.643 1.00 10.00 A +ATOM 430 CD2 TYR A 48 19.910 6.279 3.360 1.00 10.00 A +ATOM 431 CE1 TYR A 48 17.142 6.063 3.477 1.00 10.00 A +ATOM 432 CE2 TYR A 48 19.165 6.327 2.191 1.00 10.00 A +ATOM 433 CZ TYR A 48 17.782 6.205 2.266 1.00 10.00 A +ATOM 434 OH TYR A 48 17.028 6.233 1.105 1.00 10.00 A +ATOM 435 HH TYR A 48 16.218 5.714 1.227 1.00 10.00 A +ATOM 436 C TYR A 48 20.343 6.284 8.292 1.00 10.00 A +ATOM 437 O TYR A 48 20.101 5.172 8.758 1.00 10.00 A +ATOM 438 N LYS A 49 21.270 7.099 8.820 1.00 10.00 A +ATOM 439 HN LYS A 49 21.392 7.999 8.456 1.00 10.00 A +ATOM 440 CA LYS A 49 22.096 6.645 9.945 1.00 10.00 A +ATOM 441 CB LYS A 49 23.151 7.710 10.245 1.00 10.00 A +ATOM 442 CG LYS A 49 24.120 7.124 11.239 1.00 10.00 A +ATOM 443 CD LYS A 49 25.272 8.074 11.385 1.00 10.00 A +ATOM 444 CE LYS A 49 26.119 7.531 12.510 1.00 10.00 A +ATOM 445 NZ LYS A 49 27.336 8.320 12.603 1.00 10.00 A +ATOM 446 HZ1 LYS A 49 27.103 9.329 12.685 1.00 10.00 A +ATOM 447 HZ2 LYS A 49 27.917 8.174 11.747 1.00 10.00 A +ATOM 448 HZ3 LYS A 49 27.887 8.031 13.435 1.00 10.00 A +ATOM 449 C LYS A 49 21.274 6.339 11.191 1.00 10.00 A +ATOM 450 O LYS A 49 20.487 7.160 11.662 1.00 10.00 A +ATOM 451 N GLY A 50 21.407 5.104 11.654 1.00 10.00 A +ATOM 452 HN GLY A 50 22.014 4.493 11.177 1.00 10.00 A +ATOM 453 CA GLY A 50 20.715 4.608 12.814 1.00 10.00 A +ATOM 454 C GLY A 50 19.383 3.975 12.480 1.00 10.00 A +ATOM 455 O GLY A 50 18.741 3.456 13.384 1.00 10.00 A +ATOM 456 N SER A 51 18.921 4.034 11.220 1.00 10.00 A +ATOM 457 HN SER A 51 19.476 4.455 10.527 1.00 10.00 A +ATOM 458 CA SER A 51 17.610 3.473 10.850 1.00 10.00 A +ATOM 459 CB SER A 51 17.060 4.142 9.566 1.00 10.00 A +ATOM 460 OG SER A 51 17.837 3.913 8.404 1.00 10.00 A +ATOM 461 HG SER A 51 18.699 4.349 8.500 1.00 10.00 A +ATOM 462 C SER A 51 17.672 1.973 10.629 1.00 10.00 A +ATOM 463 O SER A 51 18.760 1.427 10.451 1.00 10.00 A +ATOM 464 N CYS A 52 16.550 1.262 10.679 1.00 10.00 A +ATOM 465 HN CYS A 52 15.693 1.715 10.816 1.00 10.00 A +ATOM 466 CA CYS A 52 16.578 -0.171 10.516 1.00 10.00 A +ATOM 467 CB CYS A 52 15.797 -0.762 11.667 1.00 10.00 A +ATOM 468 SG CYS A 52 13.992 -0.663 11.536 1.00 10.00 A +ATOM 469 HG CYS A 52 13.580 -1.677 10.786 1.00 10.00 A +ATOM 470 C CYS A 52 16.070 -0.726 9.171 1.00 10.00 A +ATOM 471 O CYS A 52 15.488 -0.013 8.356 1.00 10.00 A +ATOM 472 N PHE A 53 16.261 -2.026 8.977 1.00 10.00 A +ATOM 473 HN PHE A 53 16.774 -2.539 9.640 1.00 10.00 A +ATOM 474 CA PHE A 53 15.743 -2.711 7.798 1.00 10.00 A +ATOM 475 CB PHE A 53 16.728 -3.767 7.291 1.00 10.00 A +ATOM 476 CG PHE A 53 17.773 -3.210 6.367 1.00 10.00 A +ATOM 477 CD1 PHE A 53 18.950 -2.675 6.867 1.00 10.00 A +ATOM 478 CD2 PHE A 53 17.576 -3.219 4.996 1.00 10.00 A +ATOM 479 CE1 PHE A 53 19.909 -2.160 6.017 1.00 10.00 A +ATOM 480 CE2 PHE A 53 18.532 -2.706 4.140 1.00 10.00 A +ATOM 481 CZ PHE A 53 19.700 -2.176 4.651 1.00 10.00 A +ATOM 482 C PHE A 53 14.408 -3.342 8.197 1.00 10.00 A +ATOM 483 O PHE A 53 14.347 -4.499 8.610 1.00 10.00 A +ATOM 484 N HIS A 54 13.352 -2.534 8.096 1.00 10.00 A +ATOM 485 HN HIS A 54 13.495 -1.634 7.736 1.00 10.00 A +ATOM 486 CA HIS A 54 11.992 -2.914 8.498 1.00 10.00 A +ATOM 487 CB HIS A 54 10.990 -1.787 8.199 1.00 10.00 A +ATOM 488 CG HIS A 54 10.687 -1.590 6.742 1.00 10.00 A +ATOM 489 ND1 HIS A 54 11.181 -0.537 6.000 1.00 10.00 A +ATOM 490 HD1 HIS A 54 11.756 0.181 6.336 1.00 10.00 A +ATOM 491 CD2 HIS A 54 9.940 -2.329 5.889 1.00 10.00 A +ATOM 492 CE1 HIS A 54 10.753 -0.640 4.754 1.00 10.00 A +ATOM 493 NE2 HIS A 54 10.001 -1.721 4.663 1.00 10.00 A +ATOM 494 HE2 HIS A 54 9.575 -2.051 3.838 1.00 10.00 A +ATOM 495 C HIS A 54 11.468 -4.263 7.987 1.00 10.00 A +ATOM 496 O HIS A 54 10.627 -4.872 8.645 1.00 10.00 A +ATOM 497 N ARG A 55 11.928 -4.729 6.830 1.00 10.00 A +ATOM 498 HN ARG A 55 12.617 -4.228 6.337 1.00 10.00 A +ATOM 499 CA ARG A 55 11.424 -5.991 6.290 1.00 10.00 A +ATOM 500 CB ARG A 55 10.168 -5.722 5.454 1.00 10.00 A +ATOM 501 CG ARG A 55 9.342 -6.950 5.111 1.00 10.00 A +ATOM 502 CD ARG A 55 8.031 -6.547 4.454 1.00 10.00 A +ATOM 503 NE ARG A 55 7.223 -7.700 4.059 1.00 10.00 A +ATOM 504 HE ARG A 55 7.159 -8.451 4.696 1.00 10.00 A +ATOM 505 CZ ARG A 55 6.580 -7.792 2.896 1.00 10.00 A +ATOM 506 NH1 ARG A 55 6.650 -6.803 2.010 1.00 10.00 A +ATOM 507 HH11 ARG A 55 6.167 -6.875 1.136 1.00 10.00 A +ATOM 508 HH12 ARG A 55 7.189 -5.986 2.212 1.00 10.00 A +ATOM 509 NH2 ARG A 55 5.854 -8.872 2.627 1.00 10.00 A +ATOM 510 HH21 ARG A 55 5.368 -8.951 1.751 1.00 10.00 A +ATOM 511 HH22 ARG A 55 5.792 -9.612 3.301 1.00 10.00 A +ATOM 512 C ARG A 55 12.466 -6.714 5.445 1.00 10.00 A +ATOM 513 O ARG A 55 13.110 -6.111 4.589 1.00 10.00 A +ATOM 514 N ILE A 56 12.628 -8.008 5.697 1.00 10.00 A +ATOM 515 HN ILE A 56 12.095 -8.427 6.410 1.00 10.00 A +ATOM 516 CA ILE A 56 13.576 -8.824 4.949 1.00 10.00 A +ATOM 517 CB ILE A 56 14.886 -9.070 5.740 1.00 10.00 A +ATOM 518 CG1 ILE A 56 15.623 -7.750 5.994 1.00 10.00 A +ATOM 519 CG2 ILE A 56 15.788 -10.046 4.994 1.00 10.00 A +ATOM 520 CD1 ILE A 56 16.874 -7.894 6.835 1.00 10.00 A +ATOM 521 C ILE A 56 12.951 -10.169 4.571 1.00 10.00 A +ATOM 522 O ILE A 56 12.524 -10.936 5.438 1.00 10.00 A +ATOM 523 N ILE A 57 12.877 -10.434 3.271 1.00 10.00 A +ATOM 524 HN ILE A 57 13.212 -9.769 2.627 1.00 10.00 A +ATOM 525 CA ILE A 57 12.327 -11.689 2.770 1.00 10.00 A +ATOM 526 CB ILE A 57 11.120 -11.463 1.833 1.00 10.00 A +ATOM 527 CG1 ILE A 57 10.078 -10.566 2.509 1.00 10.00 A +ATOM 528 CG2 ILE A 57 10.498 -12.798 1.440 1.00 10.00 A +ATOM 529 CD1 ILE A 57 8.904 -10.212 1.622 1.00 10.00 A +ATOM 530 C ILE A 57 13.420 -12.444 2.020 1.00 10.00 A +ATOM 531 O ILE A 57 13.876 -11.996 0.963 1.00 10.00 A +ATOM 532 N PRO A 58 13.866 -13.591 2.567 1.00 10.00 A +ATOM 533 CA PRO A 58 14.929 -14.390 1.971 1.00 10.00 A +ATOM 534 CB PRO A 58 15.121 -15.514 2.972 1.00 10.00 A +ATOM 535 CG PRO A 58 14.618 -14.921 4.274 1.00 10.00 A +ATOM 536 CD PRO A 58 13.386 -14.183 3.817 1.00 10.00 A +ATOM 537 C PRO A 58 14.559 -14.859 0.565 1.00 10.00 A +ATOM 538 O PRO A 58 13.429 -15.269 0.305 1.00 10.00 A +ATOM 539 N GLY A 59 15.515 -14.740 -0.350 1.00 10.00 A +ATOM 540 HN GLY A 59 16.401 -14.369 -0.082 1.00 10.00 A +ATOM 541 CA GLY A 59 15.284 -15.139 -1.725 1.00 10.00 A +ATOM 542 C GLY A 59 14.440 -14.129 -2.481 1.00 10.00 A +ATOM 543 O GLY A 59 13.956 -14.406 -3.578 1.00 10.00 A +ATOM 544 N PHE A 60 14.252 -12.956 -1.886 1.00 10.00 A +ATOM 545 HN PHE A 60 14.651 -12.799 -1.003 1.00 10.00 A +ATOM 546 CA PHE A 60 13.465 -11.903 -2.506 1.00 10.00 A +ATOM 547 CB PHE A 60 12.083 -11.809 -1.848 1.00 10.00 A +ATOM 548 CG PHE A 60 11.155 -10.809 -2.480 1.00 10.00 A +ATOM 549 CD1 PHE A 60 11.081 -10.676 -3.857 1.00 10.00 A +ATOM 550 CD2 PHE A 60 10.355 -9.999 -1.691 1.00 10.00 A +ATOM 551 CE1 PHE A 60 10.228 -9.754 -4.433 1.00 10.00 A +ATOM 552 CE2 PHE A 60 9.500 -9.076 -2.260 1.00 10.00 A +ATOM 553 CZ PHE A 60 9.437 -8.953 -3.633 1.00 10.00 A +ATOM 554 C PHE A 60 14.196 -10.563 -2.450 1.00 10.00 A +ATOM 555 O PHE A 60 14.756 -10.119 -3.456 1.00 10.00 A +ATOM 556 N MET A 61 14.211 -9.932 -1.269 1.00 10.00 A +ATOM 557 HN MET A 61 13.786 -10.358 -0.491 1.00 10.00 A +ATOM 558 CA MET A 61 14.869 -8.635 -1.102 1.00 10.00 A +ATOM 559 CB MET A 61 14.231 -7.578 -2.021 1.00 10.00 A +ATOM 560 CG MET A 61 12.740 -7.354 -1.806 1.00 10.00 A +ATOM 561 SD MET A 61 12.388 -6.132 -0.528 1.00 10.00 A +ATOM 562 CE MET A 61 10.598 -6.146 -0.529 1.00 10.00 A +ATOM 563 C MET A 61 14.844 -8.144 0.346 1.00 10.00 A +ATOM 564 O MET A 61 14.097 -8.658 1.184 1.00 10.00 A +ATOM 565 N CYS A 62 15.690 -7.154 0.624 1.00 10.00 A +ATOM 566 HN CYS A 62 16.294 -6.838 -0.090 1.00 10.00 A +ATOM 567 CA CYS A 62 15.774 -6.525 1.942 1.00 10.00 A +ATOM 568 CB CYS A 62 17.226 -6.504 2.426 1.00 10.00 A +ATOM 569 SG CYS A 62 18.114 -8.063 2.206 1.00 10.00 A +ATOM 570 HG CYS A 62 17.383 -9.029 2.742 1.00 10.00 A +ATOM 571 C CYS A 62 15.249 -5.093 1.826 1.00 10.00 A +ATOM 572 O CYS A 62 15.801 -4.289 1.073 1.00 10.00 A +ATOM 573 N GLN A 63 14.196 -4.770 2.573 1.00 10.00 A +ATOM 574 HN GLN A 63 13.830 -5.433 3.207 1.00 10.00 A +ATOM 575 CA GLN A 63 13.581 -3.448 2.494 1.00 10.00 A +ATOM 576 CB GLN A 63 12.069 -3.590 2.263 1.00 10.00 A +ATOM 577 CG GLN A 63 11.483 -2.598 1.267 1.00 10.00 A +ATOM 578 CD GLN A 63 10.049 -2.206 1.588 1.00 10.00 A +ATOM 579 OE1 GLN A 63 9.307 -2.954 2.232 1.00 10.00 A +ATOM 580 NE2 GLN A 63 9.652 -1.021 1.154 1.00 10.00 A +ATOM 581 HE21 GLN A 63 10.296 -0.472 0.657 1.00 10.00 A +ATOM 582 HE22 GLN A 63 8.725 -0.738 1.339 1.00 10.00 A +ATOM 583 C GLN A 63 13.821 -2.584 3.735 1.00 10.00 A +ATOM 584 O GLN A 63 13.361 -2.909 4.833 1.00 10.00 A +ATOM 585 N GLY A 64 14.540 -1.482 3.548 1.00 10.00 A +ATOM 586 HN GLY A 64 14.901 -1.292 2.653 1.00 10.00 A +ATOM 587 CA GLY A 64 14.779 -0.552 4.629 1.00 10.00 A +ATOM 588 C GLY A 64 14.466 0.863 4.206 1.00 10.00 A +ATOM 589 O GLY A 64 13.701 1.101 3.260 1.00 10.00 A +ATOM 590 N GLY A 65 14.992 1.845 4.949 1.00 10.00 A +ATOM 591 HN GLY A 65 15.479 1.611 5.767 1.00 10.00 A +ATOM 592 CA GLY A 65 14.867 3.243 4.567 1.00 10.00 A +ATOM 593 C GLY A 65 13.800 4.009 5.313 1.00 10.00 A +ATOM 594 O GLY A 65 13.658 5.216 5.105 1.00 10.00 A +ATOM 595 N ASP A 66 13.055 3.347 6.189 1.00 10.00 A +ATOM 596 HN ASP A 66 13.174 2.384 6.306 1.00 10.00 A +ATOM 597 CA ASP A 66 12.070 4.070 6.988 1.00 10.00 A +ATOM 598 CB ASP A 66 10.816 3.185 7.285 1.00 10.00 A +ATOM 599 CG ASP A 66 9.744 3.864 8.146 1.00 10.00 A +ATOM 600 OD1 ASP A 66 9.883 5.055 8.474 1.00 10.00 A +ATOM 601 OD2 ASP A 66 8.768 3.203 8.490 1.00 10.00 A +ATOM 602 C ASP A 66 12.716 4.525 8.316 1.00 10.00 A +ATOM 603 O ASP A 66 12.600 3.856 9.342 1.00 10.00 A +ATOM 604 N PHE A 67 13.280 5.720 8.269 1.00 10.00 A +ATOM 605 HN PHE A 67 13.222 6.249 7.445 1.00 10.00 A +ATOM 606 CA PHE A 67 13.999 6.261 9.423 1.00 10.00 A +ATOM 607 CB PHE A 67 15.164 7.151 8.938 1.00 10.00 A +ATOM 608 CG PHE A 67 14.841 8.278 7.954 1.00 10.00 A +ATOM 609 CD1 PHE A 67 14.418 9.516 8.414 1.00 10.00 A +ATOM 610 CD2 PHE A 67 14.989 8.063 6.583 1.00 10.00 A +ATOM 611 CE1 PHE A 67 14.111 10.522 7.521 1.00 10.00 A +ATOM 612 CE2 PHE A 67 14.688 9.092 5.717 1.00 10.00 A +ATOM 613 CZ PHE A 67 14.242 10.317 6.169 1.00 10.00 A +ATOM 614 C PHE A 67 13.117 7.050 10.376 1.00 10.00 A +ATOM 615 O PHE A 67 13.627 7.636 11.343 1.00 10.00 A +ATOM 616 N THR A 68 11.797 7.147 10.103 1.00 10.00 A +ATOM 617 HN THR A 68 11.417 6.701 9.314 1.00 10.00 A +ATOM 618 CA THR A 68 10.944 7.917 10.996 1.00 10.00 A +ATOM 619 CB THR A 68 10.106 9.047 10.258 1.00 10.00 A +ATOM 620 OG1 THR A 68 9.210 8.384 9.385 1.00 10.00 A +ATOM 621 HG1 THR A 68 8.477 8.024 9.891 1.00 10.00 A +ATOM 622 CG2 THR A 68 10.975 10.075 9.514 1.00 10.00 A +ATOM 623 C THR A 68 9.985 7.049 11.764 1.00 10.00 A +ATOM 624 O THR A 68 9.602 7.453 12.849 1.00 10.00 A +ATOM 625 N ARG A 69 9.581 5.873 11.279 1.00 10.00 A +ATOM 626 HN ARG A 69 9.903 5.592 10.389 1.00 10.00 A +ATOM 627 CA ARG A 69 8.646 5.009 11.984 1.00 10.00 A +ATOM 628 CB ARG A 69 7.277 4.903 11.322 1.00 10.00 A +ATOM 629 CG ARG A 69 6.669 6.276 11.221 1.00 10.00 A +ATOM 630 CD ARG A 69 5.168 6.307 11.443 1.00 10.00 A +ATOM 631 NE ARG A 69 4.925 7.730 11.565 1.00 10.00 A +ATOM 632 HE ARG A 69 4.813 8.226 10.725 1.00 10.00 A +ATOM 633 CZ ARG A 69 4.836 8.421 12.728 1.00 10.00 A +ATOM 634 NH1 ARG A 69 4.743 7.875 13.944 1.00 10.00 A +ATOM 635 HH11 ARG A 69 4.681 8.457 14.755 1.00 10.00 A +ATOM 636 HH12 ARG A 69 4.737 6.880 14.046 1.00 10.00 A +ATOM 637 NH2 ARG A 69 4.744 9.745 12.615 1.00 10.00 A +ATOM 638 HH21 ARG A 69 4.745 10.175 11.710 1.00 10.00 A +ATOM 639 HH22 ARG A 69 4.675 10.315 13.434 1.00 10.00 A +ATOM 640 C ARG A 69 9.120 3.590 12.130 1.00 10.00 A +ATOM 641 O ARG A 69 8.501 2.796 12.856 1.00 10.00 A +ATOM 642 N HIS A 70 10.209 3.283 11.420 1.00 10.00 A +ATOM 643 HN HIS A 70 10.576 3.968 10.824 1.00 10.00 A +ATOM 644 CA HIS A 70 10.877 1.976 11.464 1.00 10.00 A +ATOM 645 CB HIS A 70 11.660 1.810 12.771 1.00 10.00 A +ATOM 646 CG HIS A 70 12.662 2.896 13.035 1.00 10.00 A +ATOM 647 ND1 HIS A 70 13.210 3.685 12.038 1.00 10.00 A +ATOM 648 HD1 HIS A 70 12.998 3.632 11.073 1.00 10.00 A +ATOM 649 CD2 HIS A 70 13.215 3.325 14.195 1.00 10.00 A +ATOM 650 CE1 HIS A 70 14.054 4.547 12.579 1.00 10.00 A +ATOM 651 NE2 HIS A 70 14.074 4.350 13.883 1.00 10.00 A +ATOM 652 HE2 HIS A 70 14.617 4.856 14.524 1.00 10.00 A +ATOM 653 C HIS A 70 9.964 0.770 11.226 1.00 10.00 A +ATOM 654 O HIS A 70 10.195 -0.302 11.787 1.00 10.00 A +ATOM 655 N ASN A 71 8.951 0.930 10.384 1.00 10.00 A +ATOM 656 HN ASN A 71 8.803 1.810 9.966 1.00 10.00 A +ATOM 657 CA ASN A 71 8.040 -0.176 10.087 1.00 10.00 A +ATOM 658 CB ASN A 71 6.788 -0.148 10.979 1.00 10.00 A +ATOM 659 CG ASN A 71 6.098 1.203 11.017 1.00 10.00 A +ATOM 660 OD1 ASN A 71 6.111 1.947 10.039 1.00 10.00 A +ATOM 661 ND2 ASN A 71 5.493 1.532 12.152 1.00 10.00 A +ATOM 662 HD21 ASN A 71 5.523 0.893 12.894 1.00 10.00 A +ATOM 663 HD22 ASN A 71 5.042 2.400 12.202 1.00 10.00 A +ATOM 664 C ASN A 71 7.678 -0.256 8.604 1.00 10.00 A +ATOM 665 O ASN A 71 7.170 -1.273 8.132 1.00 10.00 A +ATOM 666 N GLY A 72 7.961 0.811 7.868 1.00 10.00 A +ATOM 667 HN GLY A 72 8.375 1.603 8.294 1.00 10.00 A +ATOM 668 CA GLY A 72 7.659 0.840 6.452 1.00 10.00 A +ATOM 669 C GLY A 72 6.537 1.801 6.132 1.00 10.00 A +ATOM 670 O GLY A 72 5.947 1.742 5.050 1.00 10.00 A +ATOM 671 N THR A 73 6.237 2.687 7.075 1.00 10.00 A +ATOM 672 HN THR A 73 6.743 2.682 7.919 1.00 10.00 A +ATOM 673 CA THR A 73 5.174 3.662 6.886 1.00 10.00 A +ATOM 674 CB THR A 73 4.078 3.559 7.966 1.00 10.00 A +ATOM 675 OG1 THR A 73 4.624 3.863 9.256 1.00 10.00 A +ATOM 676 HG1 THR A 73 5.153 3.109 9.571 1.00 10.00 A +ATOM 677 CG2 THR A 73 3.462 2.167 7.986 1.00 10.00 A +ATOM 678 C THR A 73 5.709 5.087 6.850 1.00 10.00 A +ATOM 679 O THR A 73 4.995 6.001 6.439 1.00 10.00 A +ATOM 680 N GLY A 74 6.962 5.293 7.267 1.00 10.00 A +ATOM 681 HN GLY A 74 7.514 4.542 7.584 1.00 10.00 A +ATOM 682 CA GLY A 74 7.486 6.641 7.242 1.00 10.00 A +ATOM 683 C GLY A 74 8.577 6.878 6.218 1.00 10.00 A +ATOM 684 O GLY A 74 8.696 6.204 5.199 1.00 10.00 A +ATOM 685 N GLY A 75 9.421 7.852 6.529 1.00 10.00 A +ATOM 686 HN GLY A 75 9.279 8.319 7.384 1.00 10.00 A +ATOM 687 CA GLY A 75 10.526 8.264 5.706 1.00 10.00 A +ATOM 688 C GLY A 75 10.165 9.486 4.878 1.00 10.00 A +ATOM 689 O GLY A 75 8.995 9.867 4.759 1.00 10.00 A +ATOM 690 N LYS A 76 11.176 10.138 4.308 1.00 10.00 A +ATOM 691 HN LYS A 76 12.095 9.829 4.462 1.00 10.00 A +ATOM 692 CA LYS A 76 10.957 11.277 3.448 1.00 10.00 A +ATOM 693 CB LYS A 76 10.615 12.532 4.272 1.00 10.00 A +ATOM 694 CG LYS A 76 11.678 13.003 5.271 1.00 10.00 A +ATOM 695 CD LYS A 76 11.191 14.220 6.007 1.00 10.00 A +ATOM 696 CE LYS A 76 12.324 14.770 6.856 1.00 10.00 A +ATOM 697 NZ LYS A 76 11.843 15.033 8.201 1.00 10.00 A +ATOM 698 HZ1 LYS A 76 11.064 15.722 8.174 1.00 10.00 A +ATOM 699 HZ2 LYS A 76 12.611 15.417 8.785 1.00 10.00 A +ATOM 700 HZ3 LYS A 76 11.498 14.154 8.635 1.00 10.00 A +ATOM 701 C LYS A 76 12.225 11.515 2.651 1.00 10.00 A +ATOM 702 O LYS A 76 13.332 11.139 3.039 1.00 10.00 A +ATOM 703 N SER A 77 12.058 12.148 1.501 1.00 10.00 A +ATOM 704 HN SER A 77 11.157 12.433 1.229 1.00 10.00 A +ATOM 705 CA SER A 77 13.194 12.446 0.643 1.00 10.00 A +ATOM 706 CB SER A 77 12.746 12.420 -0.845 1.00 10.00 A +ATOM 707 OG SER A 77 12.044 13.576 -1.296 1.00 10.00 A +ATOM 708 HG SER A 77 11.328 13.785 -0.673 1.00 10.00 A +ATOM 709 C SER A 77 13.785 13.805 0.979 1.00 10.00 A +ATOM 710 O SER A 77 13.198 14.590 1.724 1.00 10.00 A +ATOM 711 N ILE A 78 14.916 14.117 0.347 1.00 10.00 A +ATOM 712 HN ILE A 78 15.347 13.445 -0.232 1.00 10.00 A +ATOM 713 CA ILE A 78 15.526 15.425 0.501 1.00 10.00 A +ATOM 714 CB ILE A 78 16.990 15.447 -0.006 1.00 10.00 A +ATOM 715 CG1 ILE A 78 17.086 15.123 -1.498 1.00 10.00 A +ATOM 716 CG2 ILE A 78 17.797 14.501 0.881 1.00 10.00 A +ATOM 717 CD1 ILE A 78 18.477 15.402 -2.088 1.00 10.00 A +ATOM 718 C ILE A 78 14.756 16.489 -0.275 1.00 10.00 A +ATOM 719 O ILE A 78 15.050 17.680 -0.144 1.00 10.00 A +ATOM 720 N TYR A 79 13.803 16.063 -1.129 1.00 10.00 A +ATOM 721 HN TYR A 79 13.634 15.097 -1.195 1.00 10.00 A +ATOM 722 CA TYR A 79 13.010 16.961 -1.951 1.00 10.00 A +ATOM 723 CB TYR A 79 12.802 16.349 -3.337 1.00 10.00 A +ATOM 724 CG TYR A 79 14.078 15.895 -3.995 1.00 10.00 A +ATOM 725 CD1 TYR A 79 15.043 16.825 -4.327 1.00 10.00 A +ATOM 726 CD2 TYR A 79 14.281 14.556 -4.261 1.00 10.00 A +ATOM 727 CE1 TYR A 79 16.221 16.430 -4.931 1.00 10.00 A +ATOM 728 CE2 TYR A 79 15.465 14.152 -4.852 1.00 10.00 A +ATOM 729 CZ TYR A 79 16.431 15.092 -5.184 1.00 10.00 A +ATOM 730 OH TYR A 79 17.607 14.712 -5.801 1.00 10.00 A +ATOM 731 HH TYR A 79 17.472 13.871 -6.262 1.00 10.00 A +ATOM 732 C TYR A 79 11.655 17.220 -1.318 1.00 10.00 A +ATOM 733 O TYR A 79 10.856 17.975 -1.874 1.00 10.00 A +ATOM 734 N GLY A 80 11.380 16.638 -0.149 1.00 10.00 A +ATOM 735 HN GLY A 80 12.079 16.107 0.290 1.00 10.00 A +ATOM 736 CA GLY A 80 10.082 16.760 0.486 1.00 10.00 A +ATOM 737 C GLY A 80 9.555 15.371 0.784 1.00 10.00 A +ATOM 738 O GLY A 80 10.255 14.372 0.598 1.00 10.00 A +ATOM 739 N GLU A 81 8.311 15.274 1.251 1.00 10.00 A +ATOM 740 HN GLU A 81 7.806 16.098 1.401 1.00 10.00 A +ATOM 741 CA GLU A 81 7.664 14.004 1.555 1.00 10.00 A +ATOM 742 CB GLU A 81 6.205 14.289 1.836 1.00 10.00 A +ATOM 743 CG GLU A 81 5.884 14.479 3.310 1.00 10.00 A +ATOM 744 CD GLU A 81 5.611 13.148 4.020 1.00 10.00 A +ATOM 745 OE1 GLU A 81 6.546 12.526 4.539 1.00 10.00 A +ATOM 746 OE2 GLU A 81 4.448 12.733 4.047 1.00 10.00 A +ATOM 747 C GLU A 81 7.791 12.942 0.460 1.00 10.00 A +ATOM 748 O GLU A 81 8.332 11.867 0.704 1.00 10.00 A +ATOM 749 N LYS A 82 7.388 13.263 -0.781 1.00 10.00 A +ATOM 750 HN LYS A 82 7.052 14.167 -0.947 1.00 10.00 A +ATOM 751 CA LYS A 82 7.448 12.323 -1.900 1.00 10.00 A +ATOM 752 CB LYS A 82 6.026 11.753 -2.227 1.00 10.00 A +ATOM 753 CG LYS A 82 5.019 12.752 -2.801 1.00 10.00 A +ATOM 754 CD LYS A 82 3.754 12.131 -3.431 1.00 10.00 A +ATOM 755 CE LYS A 82 2.790 13.094 -4.232 1.00 10.00 A +ATOM 756 NZ LYS A 82 3.234 13.682 -5.511 1.00 10.00 A +ATOM 757 HZ1 LYS A 82 4.010 14.354 -5.345 1.00 10.00 A +ATOM 758 HZ2 LYS A 82 2.447 14.184 -5.969 1.00 10.00 A +ATOM 759 HZ3 LYS A 82 3.573 12.931 -6.149 1.00 10.00 A +ATOM 760 C LYS A 82 8.027 13.008 -3.128 1.00 10.00 A +ATOM 761 O LYS A 82 8.091 14.240 -3.170 1.00 10.00 A +ATOM 762 N PHE A 83 8.549 12.215 -4.088 1.00 10.00 A +ATOM 763 HN PHE A 83 8.665 11.253 -3.906 1.00 10.00 A +ATOM 764 CA PHE A 83 8.960 12.747 -5.371 1.00 10.00 A +ATOM 765 CB PHE A 83 10.471 13.127 -5.435 1.00 10.00 A +ATOM 766 CG PHE A 83 11.515 12.026 -5.324 1.00 10.00 A +ATOM 767 CD1 PHE A 83 11.824 11.483 -4.088 1.00 10.00 A +ATOM 768 CD2 PHE A 83 12.188 11.604 -6.453 1.00 10.00 A +ATOM 769 CE1 PHE A 83 12.814 10.523 -3.983 1.00 10.00 A +ATOM 770 CE2 PHE A 83 13.165 10.631 -6.341 1.00 10.00 A +ATOM 771 CZ PHE A 83 13.481 10.099 -5.109 1.00 10.00 A +ATOM 772 C PHE A 83 8.642 11.729 -6.471 1.00 10.00 A +ATOM 773 O PHE A 83 8.314 10.563 -6.248 1.00 10.00 A +ATOM 774 N GLU A 84 8.650 12.251 -7.693 1.00 10.00 A +ATOM 775 HN GLU A 84 8.937 13.187 -7.809 1.00 10.00 A +ATOM 776 CA GLU A 84 8.265 11.493 -8.878 1.00 10.00 A +ATOM 777 CB GLU A 84 8.160 12.479 -10.054 1.00 10.00 A +ATOM 778 CG GLU A 84 9.482 12.996 -10.652 1.00 10.00 A +ATOM 779 CD GLU A 84 10.116 14.257 -10.040 1.00 10.00 A +ATOM 780 OE1 GLU A 84 9.695 14.711 -8.972 1.00 10.00 A +ATOM 781 OE2 GLU A 84 11.017 14.818 -10.684 1.00 10.00 A +ATOM 782 C GLU A 84 9.191 10.326 -9.258 1.00 10.00 A +ATOM 783 O GLU A 84 10.368 10.235 -8.865 1.00 10.00 A +ATOM 784 N ASP A 85 8.598 9.409 -10.029 1.00 10.00 A +ATOM 785 HN ASP A 85 7.626 9.465 -10.177 1.00 10.00 A +ATOM 786 CA ASP A 85 9.336 8.359 -10.677 1.00 10.00 A +ATOM 787 CB ASP A 85 8.388 7.362 -11.292 1.00 10.00 A +ATOM 788 CG ASP A 85 7.637 6.610 -10.211 1.00 10.00 A +ATOM 789 OD1 ASP A 85 8.236 6.180 -9.222 1.00 10.00 A +ATOM 790 OD2 ASP A 85 6.437 6.404 -10.356 1.00 10.00 A +ATOM 791 C ASP A 85 10.141 9.033 -11.750 1.00 10.00 A +ATOM 792 O ASP A 85 9.559 9.619 -12.670 1.00 10.00 A +ATOM 793 N GLU A 86 11.469 8.954 -11.673 1.00 10.00 A +ATOM 794 HN GLU A 86 11.886 8.374 -11.003 1.00 10.00 A +ATOM 795 CA GLU A 86 12.294 9.734 -12.566 1.00 10.00 A +ATOM 796 CB GLU A 86 13.671 9.769 -11.964 1.00 10.00 A +ATOM 797 CG GLU A 86 14.633 10.690 -12.707 1.00 10.00 A +ATOM 798 CD GLU A 86 15.987 10.869 -12.029 1.00 10.00 A +ATOM 799 OE1 GLU A 86 16.282 10.162 -11.056 1.00 10.00 A +ATOM 800 OE2 GLU A 86 16.742 11.732 -12.467 1.00 10.00 A +ATOM 801 C GLU A 86 12.287 9.158 -13.972 1.00 10.00 A +ATOM 802 O GLU A 86 12.019 9.874 -14.935 1.00 10.00 A +ATOM 803 N ASN A 87 12.513 7.853 -14.052 1.00 10.00 A +ATOM 804 HN ASN A 87 12.756 7.364 -13.237 1.00 10.00 A +ATOM 805 CA ASN A 87 12.405 7.115 -15.295 1.00 10.00 A +ATOM 806 CB ASN A 87 13.544 7.534 -16.272 1.00 10.00 A +ATOM 807 CG ASN A 87 14.971 7.238 -15.834 1.00 10.00 A +ATOM 808 OD1 ASN A 87 15.320 6.087 -15.569 1.00 10.00 A +ATOM 809 ND2 ASN A 87 15.829 8.254 -15.773 1.00 10.00 A +ATOM 810 HD21 ASN A 87 15.505 9.147 -16.008 1.00 10.00 A +ATOM 811 HD22 ASN A 87 16.757 8.066 -15.502 1.00 10.00 A +ATOM 812 C ASN A 87 12.478 5.628 -14.973 1.00 10.00 A +ATOM 813 O ASN A 87 12.681 5.246 -13.818 1.00 10.00 A +ATOM 814 N PHE A 88 12.294 4.758 -15.965 1.00 10.00 A +ATOM 815 HN PHE A 88 12.089 5.092 -16.863 1.00 10.00 A +ATOM 816 CA PHE A 88 12.390 3.333 -15.747 1.00 10.00 A +ATOM 817 CB PHE A 88 11.000 2.672 -15.902 1.00 10.00 A +ATOM 818 CG PHE A 88 10.027 3.138 -14.831 1.00 10.00 A +ATOM 819 CD1 PHE A 88 10.158 2.685 -13.531 1.00 10.00 A +ATOM 820 CD2 PHE A 88 9.051 4.067 -15.134 1.00 10.00 A +ATOM 821 CE1 PHE A 88 9.314 3.165 -12.556 1.00 10.00 A +ATOM 822 CE2 PHE A 88 8.222 4.550 -14.137 1.00 10.00 A +ATOM 823 CZ PHE A 88 8.343 4.097 -12.847 1.00 10.00 A +ATOM 824 C PHE A 88 13.391 2.732 -16.719 1.00 10.00 A +ATOM 825 O PHE A 88 13.215 1.614 -17.188 1.00 10.00 A +ATOM 826 N ILE A 89 14.490 3.406 -17.021 1.00 10.00 A +ATOM 827 HN ILE A 89 14.614 4.300 -16.630 1.00 10.00 A +ATOM 828 CA ILE A 89 15.531 2.878 -17.908 1.00 10.00 A +ATOM 829 CB ILE A 89 16.660 3.956 -18.014 1.00 10.00 A +ATOM 830 CG1 ILE A 89 16.158 5.168 -18.766 1.00 10.00 A +ATOM 831 CG2 ILE A 89 17.878 3.398 -18.738 1.00 10.00 A +ATOM 832 CD1 ILE A 89 17.181 6.309 -18.509 1.00 10.00 A +ATOM 833 C ILE A 89 16.111 1.543 -17.430 1.00 10.00 A +ATOM 834 O ILE A 89 16.278 0.597 -18.201 1.00 10.00 A +ATOM 835 N LEU A 90 16.446 1.468 -16.122 1.00 10.00 A +ATOM 836 HN LEU A 90 16.242 2.223 -15.534 1.00 10.00 A +ATOM 837 CA LEU A 90 17.080 0.287 -15.564 1.00 10.00 A +ATOM 838 CB LEU A 90 18.028 0.725 -14.460 1.00 10.00 A +ATOM 839 CG LEU A 90 18.997 1.770 -14.945 1.00 10.00 A +ATOM 840 CD1 LEU A 90 19.653 2.443 -13.762 1.00 10.00 A +ATOM 841 CD2 LEU A 90 19.953 1.104 -15.930 1.00 10.00 A +ATOM 842 C LEU A 90 16.075 -0.707 -15.043 1.00 10.00 A +ATOM 843 O LEU A 90 15.000 -0.355 -14.554 1.00 10.00 A +ATOM 844 N LYS A 91 16.442 -1.971 -15.222 1.00 10.00 A +ATOM 845 HN LYS A 91 17.321 -2.152 -15.615 1.00 10.00 A +ATOM 846 CA LYS A 91 15.601 -3.097 -14.852 1.00 10.00 A +ATOM 847 CB LYS A 91 15.523 -4.060 -16.026 1.00 10.00 A +ATOM 848 CG LYS A 91 15.134 -3.512 -17.391 1.00 10.00 A +ATOM 849 CD LYS A 91 13.736 -2.938 -17.349 1.00 10.00 A +ATOM 850 CE LYS A 91 13.231 -2.572 -18.755 1.00 10.00 A +ATOM 851 NZ LYS A 91 12.782 -3.751 -19.488 1.00 10.00 A +ATOM 852 HZ1 LYS A 91 12.405 -3.474 -20.417 1.00 10.00 A +ATOM 853 HZ2 LYS A 91 12.035 -4.241 -18.955 1.00 10.00 A +ATOM 854 HZ3 LYS A 91 13.576 -4.407 -19.631 1.00 10.00 A +ATOM 855 C LYS A 91 16.107 -3.841 -13.623 1.00 10.00 A +ATOM 856 O LYS A 91 17.254 -3.686 -13.204 1.00 10.00 A +ATOM 857 N HIS A 92 15.245 -4.703 -13.080 1.00 10.00 A +ATOM 858 HN HIS A 92 14.348 -4.790 -13.497 1.00 10.00 A +ATOM 859 CA HIS A 92 15.526 -5.524 -11.908 1.00 10.00 A +ATOM 860 CB HIS A 92 14.265 -5.748 -11.068 1.00 10.00 A +ATOM 861 CG HIS A 92 13.614 -4.499 -10.510 1.00 10.00 A +ATOM 862 ND1 HIS A 92 12.913 -3.639 -11.247 1.00 10.00 A +ATOM 863 HD1 HIS A 92 12.691 -3.736 -12.210 1.00 10.00 A +ATOM 864 CD2 HIS A 92 13.671 -4.036 -9.214 1.00 10.00 A +ATOM 865 CE1 HIS A 92 12.538 -2.655 -10.453 1.00 10.00 A +ATOM 866 NE2 HIS A 92 13.000 -2.904 -9.239 1.00 10.00 A +ATOM 867 HE2 HIS A 92 12.878 -2.306 -8.466 1.00 10.00 A +ATOM 868 C HIS A 92 16.018 -6.856 -12.460 1.00 10.00 A +ATOM 869 O HIS A 92 15.303 -7.850 -12.592 1.00 10.00 A +ATOM 870 N THR A 93 17.309 -6.828 -12.788 1.00 10.00 A +ATOM 871 HN THR A 93 17.845 -6.037 -12.559 1.00 10.00 A +ATOM 872 CA THR A 93 17.946 -7.925 -13.494 1.00 10.00 A +ATOM 873 CB THR A 93 19.031 -7.366 -14.431 1.00 10.00 A +ATOM 874 OG1 THR A 93 19.996 -6.736 -13.608 1.00 10.00 A +ATOM 875 HG1 THR A 93 20.859 -6.788 -14.030 1.00 10.00 A +ATOM 876 CG2 THR A 93 18.490 -6.360 -15.437 1.00 10.00 A +ATOM 877 C THR A 93 18.551 -9.030 -12.654 1.00 10.00 A +ATOM 878 O THR A 93 18.934 -10.062 -13.212 1.00 10.00 A +ATOM 879 N GLY A 94 18.647 -8.859 -11.330 1.00 10.00 A +ATOM 880 HN GLY A 94 18.374 -8.007 -10.928 1.00 10.00 A +ATOM 881 CA GLY A 94 19.156 -9.924 -10.498 1.00 10.00 A +ATOM 882 C GLY A 94 19.458 -9.464 -9.087 1.00 10.00 A +ATOM 883 O GLY A 94 19.143 -8.323 -8.741 1.00 10.00 A +ATOM 884 N PRO A 95 20.095 -10.308 -8.255 1.00 10.00 A +ATOM 885 CA PRO A 95 20.549 -9.953 -6.909 1.00 10.00 A +ATOM 886 CB PRO A 95 21.252 -11.179 -6.399 1.00 10.00 A +ATOM 887 CG PRO A 95 20.684 -12.296 -7.245 1.00 10.00 A +ATOM 888 CD PRO A 95 20.560 -11.651 -8.614 1.00 10.00 A +ATOM 889 C PRO A 95 21.461 -8.733 -6.919 1.00 10.00 A +ATOM 890 O PRO A 95 22.193 -8.509 -7.886 1.00 10.00 A +ATOM 891 N GLY A 96 21.437 -7.918 -5.865 1.00 10.00 A +ATOM 892 HN GLY A 96 20.817 -8.104 -5.120 1.00 10.00 A +ATOM 893 CA GLY A 96 22.305 -6.762 -5.815 1.00 10.00 A +ATOM 894 C GLY A 96 21.673 -5.478 -6.300 1.00 10.00 A +ATOM 895 O GLY A 96 22.197 -4.416 -6.015 1.00 10.00 A +ATOM 896 N ILE A 97 20.539 -5.535 -7.006 1.00 10.00 A +ATOM 897 HN ILE A 97 20.148 -6.411 -7.213 1.00 10.00 A +ATOM 898 CA ILE A 97 19.870 -4.325 -7.481 1.00 10.00 A +ATOM 899 CB ILE A 97 18.767 -4.784 -8.531 1.00 10.00 A +ATOM 900 CG1 ILE A 97 19.443 -5.219 -9.835 1.00 10.00 A +ATOM 901 CG2 ILE A 97 17.755 -3.655 -8.779 1.00 10.00 A +ATOM 902 CD1 ILE A 97 20.142 -4.076 -10.607 1.00 10.00 A +ATOM 903 C ILE A 97 19.259 -3.491 -6.335 1.00 10.00 A +ATOM 904 O ILE A 97 18.593 -4.006 -5.440 1.00 10.00 A +ATOM 905 N LEU A 98 19.466 -2.176 -6.418 1.00 10.00 A +ATOM 906 HN LEU A 98 20.018 -1.841 -7.163 1.00 10.00 A +ATOM 907 CA LEU A 98 18.931 -1.193 -5.472 1.00 10.00 A +ATOM 908 CB LEU A 98 20.095 -0.288 -5.074 1.00 10.00 A +ATOM 909 CG LEU A 98 20.021 0.608 -3.867 1.00 10.00 A +ATOM 910 CD1 LEU A 98 19.836 -0.198 -2.572 1.00 10.00 A +ATOM 911 CD2 LEU A 98 21.329 1.398 -3.808 1.00 10.00 A +ATOM 912 C LEU A 98 17.777 -0.419 -6.151 1.00 10.00 A +ATOM 913 O LEU A 98 17.906 0.196 -7.219 1.00 10.00 A +ATOM 914 N SER A 99 16.610 -0.466 -5.515 1.00 10.00 A +ATOM 915 HN SER A 99 16.560 -0.882 -4.626 1.00 10.00 A +ATOM 916 CA SER A 99 15.412 0.081 -6.112 1.00 10.00 A +ATOM 917 CB SER A 99 14.654 -1.105 -6.764 1.00 10.00 A +ATOM 918 OG SER A 99 13.470 -0.653 -7.399 1.00 10.00 A +ATOM 919 HG SER A 99 12.982 -0.081 -6.797 1.00 10.00 A +ATOM 920 C SER A 99 14.548 0.812 -5.095 1.00 10.00 A +ATOM 921 O SER A 99 14.538 0.451 -3.917 1.00 10.00 A +ATOM 922 N MET A 100 13.913 1.890 -5.550 1.00 10.00 A +ATOM 923 HN MET A 100 14.013 2.137 -6.501 1.00 10.00 A +ATOM 924 CA MET A 100 13.078 2.721 -4.693 1.00 10.00 A +ATOM 925 CB MET A 100 12.829 4.085 -5.342 1.00 10.00 A +ATOM 926 CG MET A 100 14.050 4.984 -5.425 1.00 10.00 A +ATOM 927 SD MET A 100 14.684 5.470 -3.807 1.00 10.00 A +ATOM 928 CE MET A 100 13.314 6.437 -3.178 1.00 10.00 A +ATOM 929 C MET A 100 11.750 2.064 -4.384 1.00 10.00 A +ATOM 930 O MET A 100 11.117 1.470 -5.259 1.00 10.00 A +ATOM 931 N ALA A 101 11.331 2.177 -3.133 1.00 10.00 A +ATOM 932 HN ALA A 101 11.889 2.659 -2.475 1.00 10.00 A +ATOM 933 CA ALA A 101 10.065 1.618 -2.706 1.00 10.00 A +ATOM 934 CB ALA A 101 10.199 0.995 -1.328 1.00 10.00 A +ATOM 935 C ALA A 101 9.003 2.708 -2.707 1.00 10.00 A +ATOM 936 O ALA A 101 9.142 3.724 -2.022 1.00 10.00 A +ATOM 937 N ASN A 102 7.956 2.501 -3.491 1.00 10.00 A +ATOM 938 HN ASN A 102 7.903 1.673 -4.012 1.00 10.00 A +ATOM 939 CA ASN A 102 6.872 3.465 -3.591 1.00 10.00 A +ATOM 940 CB ASN A 102 6.826 4.092 -4.999 1.00 10.00 A +ATOM 941 CG ASN A 102 6.792 3.073 -6.130 1.00 10.00 A +ATOM 942 OD1 ASN A 102 6.316 1.953 -5.960 1.00 10.00 A +ATOM 943 ND2 ASN A 102 7.293 3.459 -7.301 1.00 10.00 A +ATOM 944 HD21 ASN A 102 7.656 4.370 -7.378 1.00 10.00 A +ATOM 945 HD22 ASN A 102 7.273 2.815 -8.048 1.00 10.00 A +ATOM 946 C ASN A 102 5.536 2.819 -3.226 1.00 10.00 A +ATOM 947 O ASN A 102 5.466 1.611 -2.993 1.00 10.00 A +ATOM 948 N ALA A 103 4.484 3.625 -3.167 1.00 10.00 A +ATOM 949 HN ALA A 103 4.603 4.585 -3.367 1.00 10.00 A +ATOM 950 CA ALA A 103 3.153 3.125 -2.832 1.00 10.00 A +ATOM 951 CB ALA A 103 2.706 3.661 -1.479 1.00 10.00 A +ATOM 952 C ALA A 103 2.155 3.499 -3.929 1.00 10.00 A +ATOM 953 O ALA A 103 0.941 3.512 -3.716 1.00 10.00 A +ATOM 954 N GLY A 104 2.692 3.799 -5.104 1.00 10.00 A +ATOM 955 HN GLY A 104 3.668 3.768 -5.198 1.00 10.00 A +ATOM 956 CA GLY A 104 1.879 4.174 -6.255 1.00 10.00 A +ATOM 957 C GLY A 104 2.768 4.956 -7.190 1.00 10.00 A +ATOM 958 O GLY A 104 3.953 5.117 -6.851 1.00 10.00 A +ATOM 959 N PRO A 105 2.356 5.414 -8.382 1.00 10.00 A +ATOM 960 CA PRO A 105 3.212 6.224 -9.234 1.00 10.00 A +ATOM 961 CB PRO A 105 2.403 6.447 -10.513 1.00 10.00 A +ATOM 962 CG PRO A 105 0.989 6.205 -10.097 1.00 10.00 A +ATOM 963 CD PRO A 105 1.125 5.067 -9.077 1.00 10.00 A +ATOM 964 C PRO A 105 3.634 7.522 -8.552 1.00 10.00 A +ATOM 965 O PRO A 105 2.862 8.132 -7.817 1.00 10.00 A +ATOM 966 N ASN A 106 4.913 7.869 -8.725 1.00 10.00 A +ATOM 967 HN ASN A 106 5.512 7.235 -9.205 1.00 10.00 A +ATOM 968 CA ASN A 106 5.467 9.132 -8.275 1.00 10.00 A +ATOM 969 CB ASN A 106 4.755 10.242 -9.077 1.00 10.00 A +ATOM 970 CG ASN A 106 4.938 10.082 -10.584 1.00 10.00 A +ATOM 971 OD1 ASN A 106 6.051 9.926 -11.084 1.00 10.00 A +ATOM 972 ND2 ASN A 106 3.851 10.099 -11.359 1.00 10.00 A +ATOM 973 HD21 ASN A 106 2.978 10.214 -10.931 1.00 10.00 A +ATOM 974 HD22 ASN A 106 3.973 9.996 -12.326 1.00 10.00 A +ATOM 975 C ASN A 106 5.371 9.353 -6.759 1.00 10.00 A +ATOM 976 O ASN A 106 5.025 10.428 -6.264 1.00 10.00 A +ATOM 977 N THR A 107 5.653 8.305 -5.990 1.00 10.00 A +ATOM 978 HN THR A 107 5.919 7.465 -6.418 1.00 10.00 A +ATOM 979 CA THR A 107 5.574 8.356 -4.532 1.00 10.00 A +ATOM 980 CB THR A 107 4.397 7.504 -4.009 1.00 10.00 A +ATOM 981 OG1 THR A 107 4.573 6.158 -4.390 1.00 10.00 A +ATOM 982 HG1 THR A 107 4.308 6.045 -5.316 1.00 10.00 A +ATOM 983 CG2 THR A 107 3.108 8.103 -4.470 1.00 10.00 A +ATOM 984 C THR A 107 6.859 7.861 -3.886 1.00 10.00 A +ATOM 985 O THR A 107 6.849 7.172 -2.867 1.00 10.00 A +ATOM 986 N ASN A 108 7.994 8.166 -4.516 1.00 10.00 A +ATOM 987 HN ASN A 108 7.962 8.652 -5.371 1.00 10.00 A +ATOM 988 CA ASN A 108 9.279 7.802 -3.940 1.00 10.00 A +ATOM 989 CB ASN A 108 10.359 7.973 -4.965 1.00 10.00 A +ATOM 990 CG ASN A 108 10.158 7.074 -6.167 1.00 10.00 A +ATOM 991 OD1 ASN A 108 10.257 5.862 -6.064 1.00 10.00 A +ATOM 992 ND2 ASN A 108 9.830 7.652 -7.310 1.00 10.00 A +ATOM 993 HD21 ASN A 108 9.745 8.630 -7.331 1.00 10.00 A +ATOM 994 HD22 ASN A 108 9.659 7.073 -8.092 1.00 10.00 A +ATOM 995 C ASN A 108 9.604 8.687 -2.732 1.00 10.00 A +ATOM 996 O ASN A 108 9.441 9.899 -2.815 1.00 10.00 A +ATOM 997 N GLY A 109 10.004 8.079 -1.606 1.00 10.00 A +ATOM 998 HN GLY A 109 9.982 7.100 -1.570 1.00 10.00 A +ATOM 999 CA GLY A 109 10.474 8.834 -0.424 1.00 10.00 A +ATOM 1000 C GLY A 109 11.922 8.475 -0.111 1.00 10.00 A +ATOM 1001 O GLY A 109 12.872 8.855 -0.820 1.00 10.00 A +ATOM 1002 N SER A 110 12.093 7.682 0.941 1.00 10.00 A +ATOM 1003 HN SER A 110 11.313 7.417 1.470 1.00 10.00 A +ATOM 1004 CA SER A 110 13.417 7.232 1.355 1.00 10.00 A +ATOM 1005 CB SER A 110 13.730 7.751 2.756 1.00 10.00 A +ATOM 1006 OG SER A 110 12.779 7.272 3.692 1.00 10.00 A +ATOM 1007 HG SER A 110 13.158 6.525 4.187 1.00 10.00 A +ATOM 1008 C SER A 110 13.525 5.704 1.338 1.00 10.00 A +ATOM 1009 O SER A 110 14.627 5.155 1.256 1.00 10.00 A +ATOM 1010 N GLN A 111 12.376 5.026 1.425 1.00 10.00 A +ATOM 1011 HN GLN A 111 11.539 5.524 1.482 1.00 10.00 A +ATOM 1012 CA GLN A 111 12.327 3.562 1.435 1.00 10.00 A +ATOM 1013 CB GLN A 111 10.888 3.067 1.616 1.00 10.00 A +ATOM 1014 CG GLN A 111 10.423 3.020 3.063 1.00 10.00 A +ATOM 1015 CD GLN A 111 9.016 2.469 3.208 1.00 10.00 A +ATOM 1016 OE1 GLN A 111 8.816 1.253 3.269 1.00 10.00 A +ATOM 1017 NE2 GLN A 111 8.036 3.357 3.290 1.00 10.00 A +ATOM 1018 HE21 GLN A 111 8.267 4.310 3.255 1.00 10.00 A +ATOM 1019 HE22 GLN A 111 7.118 3.024 3.385 1.00 10.00 A +ATOM 1020 C GLN A 111 12.956 2.946 0.184 1.00 10.00 A +ATOM 1021 O GLN A 111 12.639 3.331 -0.943 1.00 10.00 A +ATOM 1022 N PHE A 112 13.834 1.975 0.396 1.00 10.00 A +ATOM 1023 HN PHE A 112 14.022 1.695 1.320 1.00 10.00 A +ATOM 1024 CA PHE A 112 14.526 1.305 -0.697 1.00 10.00 A +ATOM 1025 CB PHE A 112 15.933 1.899 -0.854 1.00 10.00 A +ATOM 1026 CG PHE A 112 16.795 1.718 0.368 1.00 10.00 A +ATOM 1027 CD1 PHE A 112 17.607 0.602 0.504 1.00 10.00 A +ATOM 1028 CD2 PHE A 112 16.777 2.654 1.389 1.00 10.00 A +ATOM 1029 CE1 PHE A 112 18.380 0.422 1.633 1.00 10.00 A +ATOM 1030 CE2 PHE A 112 17.551 2.482 2.518 1.00 10.00 A +ATOM 1031 CZ PHE A 112 18.351 1.365 2.642 1.00 10.00 A +ATOM 1032 C PHE A 112 14.642 -0.187 -0.411 1.00 10.00 A +ATOM 1033 O PHE A 112 14.381 -0.631 0.710 1.00 10.00 A +ATOM 1034 N PHE A 113 15.043 -0.960 -1.414 1.00 10.00 A +ATOM 1035 HN PHE A 113 15.221 -0.559 -2.294 1.00 10.00 A +ATOM 1036 CA PHE A 113 15.206 -2.395 -1.231 1.00 10.00 A +ATOM 1037 CB PHE A 113 13.896 -3.164 -1.453 1.00 10.00 A +ATOM 1038 CG PHE A 113 13.270 -3.007 -2.810 1.00 10.00 A +ATOM 1039 CD1 PHE A 113 12.484 -1.905 -3.105 1.00 10.00 A +ATOM 1040 CD2 PHE A 113 13.455 -3.973 -3.786 1.00 10.00 A +ATOM 1041 CE1 PHE A 113 11.895 -1.769 -4.346 1.00 10.00 A +ATOM 1042 CE2 PHE A 113 12.870 -3.842 -5.030 1.00 10.00 A +ATOM 1043 CZ PHE A 113 12.089 -2.738 -5.311 1.00 10.00 A +ATOM 1044 C PHE A 113 16.355 -2.978 -2.052 1.00 10.00 A +ATOM 1045 O PHE A 113 16.578 -2.589 -3.200 1.00 10.00 A +ATOM 1046 N ILE A 114 17.089 -3.893 -1.423 1.00 10.00 A +ATOM 1047 HN ILE A 114 16.860 -4.117 -0.491 1.00 10.00 A +ATOM 1048 CA ILE A 114 18.203 -4.574 -2.041 1.00 10.00 A +ATOM 1049 CB ILE A 114 19.379 -4.793 -1.035 1.00 10.00 A +ATOM 1050 CG1 ILE A 114 19.847 -3.465 -0.395 1.00 10.00 A +ATOM 1051 CG2 ILE A 114 20.522 -5.491 -1.818 1.00 10.00 A +ATOM 1052 CD1 ILE A 114 20.809 -3.646 0.806 1.00 10.00 A +ATOM 1053 C ILE A 114 17.619 -5.916 -2.456 1.00 10.00 A +ATOM 1054 O ILE A 114 17.195 -6.713 -1.621 1.00 10.00 A +ATOM 1055 N CYS A 115 17.559 -6.138 -3.763 1.00 10.00 A +ATOM 1056 HN CYS A 115 17.843 -5.434 -4.391 1.00 10.00 A +ATOM 1057 CA CYS A 115 17.082 -7.419 -4.276 1.00 10.00 A +ATOM 1058 CB CYS A 115 16.825 -7.367 -5.787 1.00 10.00 A +ATOM 1059 SG CYS A 115 15.604 -6.112 -6.184 1.00 10.00 A +ATOM 1060 HG CYS A 115 14.645 -6.175 -5.271 1.00 10.00 A +ATOM 1061 C CYS A 115 18.079 -8.530 -4.038 1.00 10.00 A +ATOM 1062 O CYS A 115 19.274 -8.336 -4.235 1.00 10.00 A +ATOM 1063 N THR A 116 17.602 -9.673 -3.569 1.00 10.00 A +ATOM 1064 HN THR A 116 16.657 -9.738 -3.295 1.00 10.00 A +ATOM 1065 CA THR A 116 18.469 -10.837 -3.447 1.00 10.00 A +ATOM 1066 CB THR A 116 18.429 -11.392 -1.991 1.00 10.00 A +ATOM 1067 OG1 THR A 116 17.104 -11.706 -1.591 1.00 10.00 A +ATOM 1068 HG1 THR A 116 17.137 -12.396 -0.908 1.00 10.00 A +ATOM 1069 CG2 THR A 116 19.034 -10.336 -1.056 1.00 10.00 A +ATOM 1070 C THR A 116 18.056 -11.908 -4.454 1.00 10.00 A +ATOM 1071 O THR A 116 18.502 -13.052 -4.406 1.00 10.00 A +ATOM 1072 N ALA A 117 17.245 -11.496 -5.425 1.00 10.00 A +ATOM 1073 HN ALA A 117 16.957 -10.559 -5.430 1.00 10.00 A +ATOM 1074 CA ALA A 117 16.765 -12.369 -6.471 1.00 10.00 A +ATOM 1075 CB ALA A 117 15.520 -13.058 -6.001 1.00 10.00 A +ATOM 1076 C ALA A 117 16.431 -11.528 -7.677 1.00 10.00 A +ATOM 1077 O ALA A 117 16.374 -10.306 -7.563 1.00 10.00 A +ATOM 1078 N LYS A 118 16.222 -12.139 -8.855 1.00 10.00 A +ATOM 1079 HN LYS A 118 16.406 -13.098 -8.934 1.00 10.00 A +ATOM 1080 CA LYS A 118 15.715 -11.411 -10.025 1.00 10.00 A +ATOM 1081 CB LYS A 118 15.820 -12.226 -11.313 1.00 10.00 A +ATOM 1082 CG LYS A 118 15.519 -11.275 -12.457 1.00 10.00 A +ATOM 1083 CD LYS A 118 15.813 -11.830 -13.838 1.00 10.00 A +ATOM 1084 CE LYS A 118 14.508 -11.936 -14.605 1.00 10.00 A +ATOM 1085 NZ LYS A 118 13.633 -12.919 -13.985 1.00 10.00 A +ATOM 1086 HZ1 LYS A 118 14.192 -13.662 -13.527 1.00 10.00 A +ATOM 1087 HZ2 LYS A 118 13.019 -13.355 -14.703 1.00 10.00 A +ATOM 1088 HZ3 LYS A 118 13.023 -12.459 -13.259 1.00 10.00 A +ATOM 1089 C LYS A 118 14.238 -11.132 -9.763 1.00 10.00 A +ATOM 1090 O LYS A 118 13.475 -12.048 -9.441 1.00 10.00 A +ATOM 1091 N THR A 119 13.837 -9.856 -9.823 1.00 10.00 A +ATOM 1092 HN THR A 119 14.471 -9.155 -10.079 1.00 10.00 A +ATOM 1093 CA THR A 119 12.450 -9.507 -9.510 1.00 10.00 A +ATOM 1094 CB THR A 119 12.412 -8.682 -8.161 1.00 10.00 A +ATOM 1095 OG1 THR A 119 13.127 -7.483 -8.348 1.00 10.00 A +ATOM 1096 HG1 THR A 119 13.799 -7.403 -7.666 1.00 10.00 A +ATOM 1097 CG2 THR A 119 13.009 -9.460 -6.990 1.00 10.00 A +ATOM 1098 C THR A 119 11.816 -8.731 -10.670 1.00 10.00 A +ATOM 1099 O THR A 119 11.398 -7.576 -10.563 1.00 10.00 A +ATOM 1100 N GLU A 120 11.717 -9.419 -11.811 1.00 10.00 A +ATOM 1101 HN GLU A 120 12.001 -10.368 -11.823 1.00 10.00 A +ATOM 1102 CA GLU A 120 11.179 -8.840 -13.046 1.00 10.00 A +ATOM 1103 CB GLU A 120 11.197 -9.870 -14.184 1.00 10.00 A +ATOM 1104 CG GLU A 120 10.244 -11.045 -13.989 1.00 10.00 A +ATOM 1105 CD GLU A 120 10.862 -12.191 -13.211 1.00 10.00 A +ATOM 1106 OE1 GLU A 120 11.824 -11.947 -12.442 1.00 10.00 A +ATOM 1107 OE2 GLU A 120 10.412 -13.340 -13.386 1.00 10.00 A +ATOM 1108 C GLU A 120 9.772 -8.274 -12.885 1.00 10.00 A +ATOM 1109 O GLU A 120 9.381 -7.357 -13.608 1.00 10.00 A +ATOM 1110 N TRP A 121 9.019 -8.804 -11.925 1.00 10.00 A +ATOM 1111 HN TRP A 121 9.392 -9.518 -11.364 1.00 10.00 A +ATOM 1112 CA TRP A 121 7.651 -8.353 -11.688 1.00 10.00 A +ATOM 1113 CB TRP A 121 6.875 -9.342 -10.809 1.00 10.00 A +ATOM 1114 CG TRP A 121 7.531 -9.666 -9.499 1.00 10.00 A +ATOM 1115 CD1 TRP A 121 7.309 -9.056 -8.298 1.00 10.00 A +ATOM 1116 CD2 TRP A 121 8.508 -10.684 -9.257 1.00 10.00 A +ATOM 1117 NE1 TRP A 121 8.089 -9.627 -7.325 1.00 10.00 A +ATOM 1118 HE1 TRP A 121 8.106 -9.361 -6.378 1.00 10.00 A +ATOM 1119 CE2 TRP A 121 8.835 -10.631 -7.889 1.00 10.00 A +ATOM 1120 CE3 TRP A 121 9.138 -11.635 -10.065 1.00 10.00 A +ATOM 1121 CZ2 TRP A 121 9.764 -11.493 -7.312 1.00 10.00 A +ATOM 1122 CZ3 TRP A 121 10.058 -12.488 -9.489 1.00 10.00 A +ATOM 1123 CH2 TRP A 121 10.363 -12.413 -8.125 1.00 10.00 A +ATOM 1124 C TRP A 121 7.587 -6.932 -11.121 1.00 10.00 A +ATOM 1125 O TRP A 121 6.499 -6.384 -10.923 1.00 10.00 A +ATOM 1126 N LEU A 122 8.750 -6.338 -10.859 1.00 10.00 A +ATOM 1127 HN LEU A 122 9.587 -6.835 -11.008 1.00 10.00 A +ATOM 1128 CA LEU A 122 8.812 -4.981 -10.330 1.00 10.00 A +ATOM 1129 CB LEU A 122 9.706 -4.921 -9.087 1.00 10.00 A +ATOM 1130 CG LEU A 122 9.304 -5.841 -7.927 1.00 10.00 A +ATOM 1131 CD1 LEU A 122 10.341 -5.791 -6.818 1.00 10.00 A +ATOM 1132 CD2 LEU A 122 7.925 -5.476 -7.394 1.00 10.00 A +ATOM 1133 C LEU A 122 9.260 -3.966 -11.391 1.00 10.00 A +ATOM 1134 O LEU A 122 9.238 -2.756 -11.149 1.00 10.00 A +ATOM 1135 N ASP A 123 9.672 -4.456 -12.564 1.00 10.00 A +ATOM 1136 HN ASP A 123 9.685 -5.429 -12.701 1.00 10.00 A +ATOM 1137 CA ASP A 123 10.092 -3.575 -13.656 1.00 10.00 A +ATOM 1138 CB ASP A 123 10.650 -4.375 -14.859 1.00 10.00 A +ATOM 1139 CG ASP A 123 11.955 -5.128 -14.590 1.00 10.00 A +ATOM 1140 OD1 ASP A 123 12.627 -4.822 -13.611 1.00 10.00 A +ATOM 1141 OD2 ASP A 123 12.323 -6.023 -15.346 1.00 10.00 A +ATOM 1142 C ASP A 123 8.962 -2.697 -14.158 1.00 10.00 A +ATOM 1143 O ASP A 123 7.811 -3.117 -14.343 1.00 10.00 A +ATOM 1144 N GLY A 124 9.316 -1.414 -14.265 1.00 10.00 A +ATOM 1145 HN GLY A 124 10.231 -1.155 -14.029 1.00 10.00 A +ATOM 1146 CA GLY A 124 8.378 -0.389 -14.721 1.00 10.00 A +ATOM 1147 C GLY A 124 7.435 0.154 -13.646 1.00 10.00 A +ATOM 1148 O GLY A 124 6.648 1.046 -13.969 1.00 10.00 A +ATOM 1149 N LYS A 125 7.565 -0.364 -12.428 1.00 10.00 A +ATOM 1150 HN LYS A 125 8.218 -1.084 -12.293 1.00 10.00 A +ATOM 1151 CA LYS A 125 6.768 0.082 -11.294 1.00 10.00 A +ATOM 1152 CB LYS A 125 6.050 -1.105 -10.650 1.00 10.00 A +ATOM 1153 CG LYS A 125 5.253 -1.967 -11.614 1.00 10.00 A +ATOM 1154 CD LYS A 125 4.878 -3.290 -10.971 1.00 10.00 A +ATOM 1155 CE LYS A 125 4.143 -4.194 -11.945 1.00 10.00 A +ATOM 1156 NZ LYS A 125 4.017 -5.579 -11.418 1.00 10.00 A +ATOM 1157 HZ1 LYS A 125 4.962 -5.952 -11.160 1.00 10.00 A +ATOM 1158 HZ2 LYS A 125 3.598 -6.198 -12.138 1.00 10.00 A +ATOM 1159 HZ3 LYS A 125 3.410 -5.588 -10.574 1.00 10.00 A +ATOM 1160 C LYS A 125 7.688 0.729 -10.261 1.00 10.00 A +ATOM 1161 O LYS A 125 7.290 1.637 -9.529 1.00 10.00 A +ATOM 1162 N HIS A 126 8.929 0.245 -10.217 1.00 10.00 A +ATOM 1163 HN HIS A 126 9.182 -0.470 -10.837 1.00 10.00 A +ATOM 1164 CA HIS A 126 9.929 0.750 -9.284 1.00 10.00 A +ATOM 1165 CB HIS A 126 10.356 -0.351 -8.308 1.00 10.00 A +ATOM 1166 CG HIS A 126 9.299 -0.730 -7.318 1.00 10.00 A +ATOM 1167 ND1 HIS A 126 9.175 -0.157 -6.074 1.00 10.00 A +ATOM 1168 HD1 HIS A 126 9.757 0.551 -5.700 1.00 10.00 A +ATOM 1169 CD2 HIS A 126 8.305 -1.649 -7.407 1.00 10.00 A +ATOM 1170 CE1 HIS A 126 8.133 -0.731 -5.459 1.00 10.00 A +ATOM 1171 NE2 HIS A 126 7.571 -1.645 -6.228 1.00 10.00 A +ATOM 1172 C HIS A 126 11.146 1.284 -10.036 1.00 10.00 A +ATOM 1173 O HIS A 126 11.552 0.719 -11.052 1.00 10.00 A +ATOM 1174 N VAL A 127 11.722 2.370 -9.527 1.00 10.00 A +ATOM 1175 HN VAL A 127 11.353 2.766 -8.710 1.00 10.00 A +ATOM 1176 CA VAL A 127 12.884 2.995 -10.150 1.00 10.00 A +ATOM 1177 CB VAL A 127 12.871 4.519 -9.905 1.00 10.00 A +ATOM 1178 CG1 VAL A 127 14.120 5.171 -10.478 1.00 10.00 A +ATOM 1179 CG2 VAL A 127 11.651 5.129 -10.597 1.00 10.00 A +ATOM 1180 C VAL A 127 14.164 2.389 -9.585 1.00 10.00 A +ATOM 1181 O VAL A 127 14.421 2.482 -8.376 1.00 10.00 A +ATOM 1182 N VAL A 128 14.931 1.725 -10.468 1.00 10.00 A +ATOM 1183 HN VAL A 128 14.610 1.639 -11.389 1.00 10.00 A +ATOM 1184 CA VAL A 128 16.230 1.128 -10.123 1.00 10.00 A +ATOM 1185 CB VAL A 128 16.598 0.014 -11.125 1.00 10.00 A +ATOM 1186 CG1 VAL A 128 18.025 -0.462 -10.875 1.00 10.00 A +ATOM 1187 CG2 VAL A 128 15.653 -1.157 -10.961 1.00 10.00 A +ATOM 1188 C VAL A 128 17.242 2.263 -10.181 1.00 10.00 A +ATOM 1189 O VAL A 128 17.252 3.052 -11.122 1.00 10.00 A +ATOM 1190 N PHE A 129 18.109 2.384 -9.174 1.00 10.00 A +ATOM 1191 HN PHE A 129 18.114 1.712 -8.454 1.00 10.00 A +ATOM 1192 CA PHE A 129 19.027 3.508 -9.121 1.00 10.00 A +ATOM 1193 CB PHE A 129 18.413 4.619 -8.256 1.00 10.00 A +ATOM 1194 CG PHE A 129 18.261 4.306 -6.765 1.00 10.00 A +ATOM 1195 CD1 PHE A 129 17.176 3.570 -6.309 1.00 10.00 A +ATOM 1196 CD2 PHE A 129 19.246 4.709 -5.867 1.00 10.00 A +ATOM 1197 CE1 PHE A 129 17.089 3.204 -4.978 1.00 10.00 A +ATOM 1198 CE2 PHE A 129 19.144 4.337 -4.547 1.00 10.00 A +ATOM 1199 CZ PHE A 129 18.071 3.593 -4.097 1.00 10.00 A +ATOM 1200 C PHE A 129 20.411 3.145 -8.614 1.00 10.00 A +ATOM 1201 O PHE A 129 21.264 4.021 -8.525 1.00 10.00 A +ATOM 1202 N GLY A 130 20.684 1.893 -8.286 1.00 10.00 A +ATOM 1203 HN GLY A 130 19.987 1.209 -8.362 1.00 10.00 A +ATOM 1204 CA GLY A 130 22.013 1.523 -7.822 1.00 10.00 A +ATOM 1205 C GLY A 130 22.193 0.026 -7.747 1.00 10.00 A +ATOM 1206 O GLY A 130 21.294 -0.739 -8.083 1.00 10.00 A +ATOM 1207 N LYS A 131 23.380 -0.417 -7.338 1.00 10.00 A +ATOM 1208 HN LYS A 131 24.106 0.229 -7.185 1.00 10.00 A +ATOM 1209 CA LYS A 131 23.628 -1.829 -7.103 1.00 10.00 A +ATOM 1210 CB LYS A 131 24.088 -2.581 -8.370 1.00 10.00 A +ATOM 1211 CG LYS A 131 25.419 -2.067 -8.879 1.00 10.00 A +ATOM 1212 CD LYS A 131 26.110 -3.013 -9.830 1.00 10.00 A +ATOM 1213 CE LYS A 131 27.308 -2.222 -10.324 1.00 10.00 A +ATOM 1214 NZ LYS A 131 27.897 -2.841 -11.499 1.00 10.00 A +ATOM 1215 HZ1 LYS A 131 27.176 -2.967 -12.236 1.00 10.00 A +ATOM 1216 HZ2 LYS A 131 28.295 -3.770 -11.253 1.00 10.00 A +ATOM 1217 HZ3 LYS A 131 28.658 -2.238 -11.875 1.00 10.00 A +ATOM 1218 C LYS A 131 24.723 -1.999 -6.052 1.00 10.00 A +ATOM 1219 O LYS A 131 25.574 -1.119 -5.892 1.00 10.00 A +ATOM 1220 N VAL A 132 24.694 -3.121 -5.331 1.00 10.00 A +ATOM 1221 HN VAL A 132 23.922 -3.723 -5.440 1.00 10.00 A +ATOM 1222 CA VAL A 132 25.745 -3.503 -4.387 1.00 10.00 A +ATOM 1223 CB VAL A 132 25.402 -4.832 -3.711 1.00 10.00 A +ATOM 1224 CG1 VAL A 132 26.557 -5.252 -2.791 1.00 10.00 A +ATOM 1225 CG2 VAL A 132 24.080 -4.689 -2.946 1.00 10.00 A +ATOM 1226 C VAL A 132 27.054 -3.656 -5.176 1.00 10.00 A +ATOM 1227 O VAL A 132 27.154 -4.337 -6.203 1.00 10.00 A +ATOM 1228 N LYS A 133 28.042 -2.907 -4.702 1.00 10.00 A +ATOM 1229 HN LYS A 133 27.857 -2.314 -3.935 1.00 10.00 A +ATOM 1230 CA LYS A 133 29.381 -2.935 -5.248 1.00 10.00 A +ATOM 1231 CB LYS A 133 29.830 -1.504 -5.223 1.00 10.00 A +ATOM 1232 CG LYS A 133 31.103 -1.212 -5.947 1.00 10.00 A +ATOM 1233 CD LYS A 133 31.305 0.291 -5.805 1.00 10.00 A +ATOM 1234 CE LYS A 133 32.462 0.767 -6.686 1.00 10.00 A +ATOM 1235 NZ LYS A 133 32.592 2.212 -6.628 1.00 10.00 A +ATOM 1236 HZ1 LYS A 133 32.056 2.599 -5.816 1.00 10.00 A +ATOM 1237 HZ2 LYS A 133 32.223 2.639 -7.501 1.00 10.00 A +ATOM 1238 HZ3 LYS A 133 33.592 2.480 -6.520 1.00 10.00 A +ATOM 1239 C LYS A 133 30.221 -3.873 -4.373 1.00 10.00 A +ATOM 1240 O LYS A 133 30.859 -4.790 -4.866 1.00 10.00 A +ATOM 1241 N GLU A 134 30.278 -3.681 -3.049 1.00 10.00 A +ATOM 1242 HN GLU A 134 29.840 -2.893 -2.664 1.00 10.00 A +ATOM 1243 CA GLU A 134 30.971 -4.595 -2.169 1.00 10.00 A +ATOM 1244 CB GLU A 134 32.128 -3.953 -1.486 1.00 10.00 A +ATOM 1245 CG GLU A 134 33.111 -3.395 -2.452 1.00 10.00 A +ATOM 1246 CD GLU A 134 34.386 -3.187 -1.705 1.00 10.00 A +ATOM 1247 OE1 GLU A 134 35.105 -4.171 -1.469 1.00 10.00 A +ATOM 1248 OE2 GLU A 134 34.716 -2.057 -1.409 1.00 10.00 A +ATOM 1249 C GLU A 134 30.091 -5.101 -1.055 1.00 10.00 A +ATOM 1250 O GLU A 134 29.238 -4.385 -0.563 1.00 10.00 A +ATOM 1251 N GLY A 135 30.326 -6.322 -0.599 1.00 10.00 A +ATOM 1252 HN GLY A 135 30.988 -6.886 -1.050 1.00 10.00 A +ATOM 1253 CA GLY A 135 29.620 -6.821 0.560 1.00 10.00 A +ATOM 1254 C GLY A 135 28.312 -7.514 0.250 1.00 10.00 A +ATOM 1255 O GLY A 135 27.443 -7.530 1.107 1.00 10.00 A +ATOM 1256 N MET A 136 28.165 -8.139 -0.928 1.00 10.00 A +ATOM 1257 HN MET A 136 28.886 -8.087 -1.588 1.00 10.00 A +ATOM 1258 CA MET A 136 26.954 -8.887 -1.254 1.00 10.00 A +ATOM 1259 CB MET A 136 27.035 -9.439 -2.689 1.00 10.00 A +ATOM 1260 CG MET A 136 25.703 -9.975 -3.254 1.00 10.00 A +ATOM 1261 SD MET A 136 24.344 -8.766 -3.304 1.00 10.00 A +ATOM 1262 CE MET A 136 23.036 -9.916 -2.952 1.00 10.00 A +ATOM 1263 C MET A 136 26.794 -10.015 -0.276 1.00 10.00 A +ATOM 1264 O MET A 136 25.687 -10.394 0.071 1.00 10.00 A +ATOM 1265 N ASN A 137 27.919 -10.540 0.218 1.00 10.00 A +ATOM 1266 HN ASN A 137 28.780 -10.206 -0.111 1.00 10.00 A +ATOM 1267 CA ASN A 137 27.916 -11.581 1.229 1.00 10.00 A +ATOM 1268 CB ASN A 137 29.374 -12.047 1.447 1.00 10.00 A +ATOM 1269 CG ASN A 137 30.304 -10.936 1.946 1.00 10.00 A +ATOM 1270 OD1 ASN A 137 30.441 -9.851 1.354 1.00 10.00 A +ATOM 1271 ND2 ASN A 137 30.904 -11.197 3.107 1.00 10.00 A +ATOM 1272 HD21 ASN A 137 30.715 -12.052 3.545 1.00 10.00 A +ATOM 1273 HD22 ASN A 137 31.507 -10.521 3.475 1.00 10.00 A +ATOM 1274 C ASN A 137 27.286 -11.120 2.555 1.00 10.00 A +ATOM 1275 O ASN A 137 26.710 -11.930 3.279 1.00 10.00 A +ATOM 1276 N ILE A 138 27.407 -9.822 2.881 1.00 10.00 A +ATOM 1277 HN ILE A 138 27.926 -9.236 2.288 1.00 10.00 A +ATOM 1278 CA ILE A 138 26.787 -9.239 4.071 1.00 10.00 A +ATOM 1279 CB ILE A 138 27.427 -7.820 4.340 1.00 10.00 A +ATOM 1280 CG1 ILE A 138 28.967 -7.983 4.600 1.00 10.00 A +ATOM 1281 CG2 ILE A 138 26.781 -7.144 5.563 1.00 10.00 A +ATOM 1282 CD1 ILE A 138 29.368 -9.057 5.668 1.00 10.00 A +ATOM 1283 C ILE A 138 25.276 -9.164 3.833 1.00 10.00 A +ATOM 1284 O ILE A 138 24.505 -9.457 4.748 1.00 10.00 A +ATOM 1285 N VAL A 139 24.827 -8.824 2.615 1.00 10.00 A +ATOM 1286 HN VAL A 139 25.468 -8.568 1.919 1.00 10.00 A +ATOM 1287 CA VAL A 139 23.384 -8.842 2.304 1.00 10.00 A +ATOM 1288 CB VAL A 139 23.132 -8.307 0.882 1.00 10.00 A +ATOM 1289 CG1 VAL A 139 21.643 -8.404 0.482 1.00 10.00 A +ATOM 1290 CG2 VAL A 139 23.529 -6.854 0.862 1.00 10.00 A +ATOM 1291 C VAL A 139 22.898 -10.280 2.426 1.00 10.00 A +ATOM 1292 O VAL A 139 21.874 -10.487 3.069 1.00 10.00 A +ATOM 1293 N GLU A 140 23.627 -11.303 1.926 1.00 10.00 A +ATOM 1294 HN GLU A 140 24.438 -11.103 1.405 1.00 10.00 A +ATOM 1295 CA GLU A 140 23.229 -12.699 2.122 1.00 10.00 A +ATOM 1296 CB GLU A 140 24.191 -13.621 1.426 1.00 10.00 A +ATOM 1297 CG GLU A 140 24.034 -13.391 -0.077 1.00 10.00 A +ATOM 1298 CD GLU A 140 25.051 -14.080 -0.993 1.00 10.00 A +ATOM 1299 OE1 GLU A 140 26.171 -14.429 -0.575 1.00 10.00 A +ATOM 1300 OE2 GLU A 140 24.709 -14.242 -2.163 1.00 10.00 A +ATOM 1301 C GLU A 140 23.155 -13.110 3.581 1.00 10.00 A +ATOM 1302 O GLU A 140 22.236 -13.822 3.981 1.00 10.00 A +ATOM 1303 N ALA A 141 24.070 -12.621 4.419 1.00 10.00 A +ATOM 1304 HN ALA A 141 24.823 -12.104 4.055 1.00 10.00 A +ATOM 1305 CA ALA A 141 23.986 -12.841 5.857 1.00 10.00 A +ATOM 1306 CB ALA A 141 25.255 -12.269 6.510 1.00 10.00 A +ATOM 1307 C ALA A 141 22.743 -12.199 6.497 1.00 10.00 A +ATOM 1308 O ALA A 141 22.132 -12.770 7.394 1.00 10.00 A +ATOM 1309 N MET A 142 22.342 -10.998 6.064 1.00 10.00 A +ATOM 1310 HN MET A 142 22.884 -10.550 5.375 1.00 10.00 A +ATOM 1311 CA MET A 142 21.145 -10.313 6.555 1.00 10.00 A +ATOM 1312 CB MET A 142 20.990 -8.949 5.897 1.00 10.00 A +ATOM 1313 CG MET A 142 21.911 -7.860 6.317 1.00 10.00 A +ATOM 1314 SD MET A 142 21.725 -6.418 5.244 1.00 10.00 A +ATOM 1315 CE MET A 142 20.004 -6.113 5.483 1.00 10.00 A +ATOM 1316 C MET A 142 19.846 -11.082 6.274 1.00 10.00 A +ATOM 1317 O MET A 142 18.940 -11.131 7.113 1.00 10.00 A +ATOM 1318 N GLU A 143 19.773 -11.685 5.075 1.00 10.00 A +ATOM 1319 HN GLU A 143 20.536 -11.605 4.459 1.00 10.00 A +ATOM 1320 CA GLU A 143 18.604 -12.447 4.648 1.00 10.00 A +ATOM 1321 CB GLU A 143 18.709 -13.183 3.364 1.00 10.00 A +ATOM 1322 CG GLU A 143 18.996 -12.443 2.126 1.00 10.00 A +ATOM 1323 CD GLU A 143 18.817 -13.462 1.009 1.00 10.00 A +ATOM 1324 OE1 GLU A 143 19.776 -14.157 0.676 1.00 10.00 A +ATOM 1325 OE2 GLU A 143 17.712 -13.563 0.483 1.00 10.00 A +ATOM 1326 C GLU A 143 18.281 -13.580 5.561 1.00 10.00 A +ATOM 1327 O GLU A 143 17.120 -13.951 5.674 1.00 10.00 A +ATOM 1328 N ARG A 144 19.281 -14.146 6.216 1.00 10.00 A +ATOM 1329 HN ARG A 144 20.191 -13.785 6.138 1.00 10.00 A +ATOM 1330 CA ARG A 144 19.017 -15.290 7.050 1.00 10.00 A +ATOM 1331 CB ARG A 144 20.377 -16.004 7.180 1.00 10.00 A +ATOM 1332 CG ARG A 144 20.851 -16.370 5.756 1.00 10.00 A +ATOM 1333 CD ARG A 144 22.105 -17.203 5.617 1.00 10.00 A +ATOM 1334 NE ARG A 144 23.326 -16.616 6.175 1.00 10.00 A +ATOM 1335 HE ARG A 144 23.267 -16.159 7.040 1.00 10.00 A +ATOM 1336 CZ ARG A 144 24.511 -16.683 5.529 1.00 10.00 A +ATOM 1337 NH1 ARG A 144 24.627 -17.145 4.272 1.00 10.00 A +ATOM 1338 HH11 ARG A 144 23.814 -17.457 3.777 1.00 10.00 A +ATOM 1339 HH12 ARG A 144 25.521 -17.175 3.826 1.00 10.00 A +ATOM 1340 NH2 ARG A 144 25.613 -16.216 6.126 1.00 10.00 A +ATOM 1341 HH21 ARG A 144 25.558 -15.822 7.044 1.00 10.00 A +ATOM 1342 HH22 ARG A 144 26.495 -16.259 5.658 1.00 10.00 A +ATOM 1343 C ARG A 144 18.340 -14.924 8.370 1.00 10.00 A +ATOM 1344 O ARG A 144 17.860 -15.775 9.129 1.00 10.00 A +ATOM 1345 N PHE A 145 18.242 -13.608 8.606 1.00 10.00 A +ATOM 1346 HN PHE A 145 18.713 -12.981 8.011 1.00 10.00 A +ATOM 1347 CA PHE A 145 17.455 -13.076 9.711 1.00 10.00 A +ATOM 1348 CB PHE A 145 18.113 -11.831 10.306 1.00 10.00 A +ATOM 1349 CG PHE A 145 19.456 -12.188 10.915 1.00 10.00 A +ATOM 1350 CD1 PHE A 145 19.502 -12.963 12.054 1.00 10.00 A +ATOM 1351 CD2 PHE A 145 20.604 -11.760 10.286 1.00 10.00 A +ATOM 1352 CE1 PHE A 145 20.729 -13.323 12.568 1.00 10.00 A +ATOM 1353 CE2 PHE A 145 21.821 -12.117 10.808 1.00 10.00 A +ATOM 1354 CZ PHE A 145 21.881 -12.892 11.945 1.00 10.00 A +ATOM 1355 C PHE A 145 16.029 -12.709 9.299 1.00 10.00 A +ATOM 1356 O PHE A 145 15.250 -12.262 10.141 1.00 10.00 A +ATOM 1357 N GLY A 146 15.657 -12.885 8.026 1.00 10.00 A +ATOM 1358 HN GLY A 146 16.317 -13.220 7.378 1.00 10.00 A +ATOM 1359 CA GLY A 146 14.309 -12.605 7.586 1.00 10.00 A +ATOM 1360 C GLY A 146 13.394 -13.818 7.726 1.00 10.00 A +ATOM 1361 O GLY A 146 13.786 -14.860 8.269 1.00 10.00 A +ATOM 1362 N SER A 147 12.175 -13.687 7.225 1.00 10.00 A +ATOM 1363 HN SER A 147 11.928 -12.848 6.777 1.00 10.00 A +ATOM 1364 CA SER A 147 11.198 -14.762 7.309 1.00 10.00 A +ATOM 1365 CB SER A 147 10.358 -14.590 8.572 1.00 10.00 A +ATOM 1366 OG SER A 147 9.881 -13.260 8.672 1.00 10.00 A +ATOM 1367 HG SER A 147 10.579 -12.695 9.037 1.00 10.00 A +ATOM 1368 C SER A 147 10.296 -14.784 6.080 1.00 10.00 A +ATOM 1369 O SER A 147 10.493 -14.009 5.146 1.00 10.00 A +ATOM 1370 N ARG A 148 9.298 -15.669 6.099 1.00 10.00 A +ATOM 1371 HN ARG A 148 9.197 -16.253 6.879 1.00 10.00 A +ATOM 1372 CA ARG A 148 8.362 -15.803 4.987 1.00 10.00 A +ATOM 1373 CB ARG A 148 7.562 -17.103 5.098 1.00 10.00 A +ATOM 1374 CG ARG A 148 7.993 -18.190 4.122 1.00 10.00 A +ATOM 1375 CD ARG A 148 8.049 -17.675 2.688 1.00 10.00 A +ATOM 1376 NE ARG A 148 6.922 -16.795 2.372 1.00 10.00 A +ATOM 1377 HE ARG A 148 6.827 -15.976 2.915 1.00 10.00 A +ATOM 1378 CZ ARG A 148 6.039 -17.026 1.404 1.00 10.00 A +ATOM 1379 NH1 ARG A 148 6.142 -18.109 0.641 1.00 10.00 A +ATOM 1380 HH11 ARG A 148 6.888 -18.758 0.791 1.00 10.00 A +ATOM 1381 HH12 ARG A 148 5.475 -18.280 -0.085 1.00 10.00 A +ATOM 1382 NH2 ARG A 148 5.043 -16.170 1.207 1.00 10.00 A +ATOM 1383 HH21 ARG A 148 4.374 -16.335 0.483 1.00 10.00 A +ATOM 1384 HH22 ARG A 148 4.961 -15.357 1.784 1.00 10.00 A +ATOM 1385 C ARG A 148 7.420 -14.606 4.872 1.00 10.00 A +ATOM 1386 O ARG A 148 6.801 -14.395 3.825 1.00 10.00 A +ATOM 1387 N ASN A 149 7.295 -13.841 5.954 1.00 10.00 A +ATOM 1388 HN ASN A 149 7.787 -14.078 6.768 1.00 10.00 A +ATOM 1389 CA ASN A 149 6.442 -12.656 5.950 1.00 10.00 A +ATOM 1390 CB ASN A 149 5.479 -12.618 7.148 1.00 10.00 A +ATOM 1391 CG ASN A 149 6.146 -12.833 8.494 1.00 10.00 A +ATOM 1392 OD1 ASN A 149 7.210 -12.285 8.773 1.00 10.00 A +ATOM 1393 ND2 ASN A 149 5.520 -13.641 9.339 1.00 10.00 A +ATOM 1394 HD21 ASN A 149 4.676 -14.049 9.052 1.00 10.00 A +ATOM 1395 HD22 ASN A 149 5.926 -13.792 10.218 1.00 10.00 A +ATOM 1396 C ASN A 149 7.280 -11.385 5.833 1.00 10.00 A +ATOM 1397 O ASN A 149 6.888 -10.430 5.154 1.00 10.00 A +ATOM 1398 N GLY A 150 8.440 -11.382 6.489 1.00 10.00 A +ATOM 1399 HN GLY A 150 8.692 -12.159 7.032 1.00 10.00 A +ATOM 1400 CA GLY A 150 9.325 -10.231 6.409 1.00 10.00 A +ATOM 1401 C GLY A 150 9.877 -9.769 7.743 1.00 10.00 A +ATOM 1402 O GLY A 150 10.753 -8.901 7.784 1.00 10.00 A +ATOM 1403 N LYS A 151 9.343 -10.323 8.835 1.00 10.00 A +ATOM 1404 HN LYS A 151 8.616 -10.980 8.736 1.00 10.00 A +ATOM 1405 CA LYS A 151 9.812 -9.978 10.171 1.00 10.00 A +ATOM 1406 CB LYS A 151 8.784 -10.533 11.185 1.00 10.00 A +ATOM 1407 CG LYS A 151 9.339 -10.991 12.527 1.00 10.00 A +ATOM 1408 CD LYS A 151 9.329 -12.542 12.649 1.00 10.00 A +ATOM 1409 CE LYS A 151 10.588 -13.141 13.328 1.00 10.00 A +ATOM 1410 NZ LYS A 151 11.672 -13.316 12.365 1.00 10.00 A +ATOM 1411 HZ1 LYS A 151 12.591 -13.215 12.840 1.00 10.00 A +ATOM 1412 HZ2 LYS A 151 11.603 -12.598 11.610 1.00 10.00 A +ATOM 1413 HZ3 LYS A 151 11.620 -14.260 11.934 1.00 10.00 A +ATOM 1414 C LYS A 151 11.226 -10.530 10.379 1.00 10.00 A +ATOM 1415 O LYS A 151 11.585 -11.643 10.000 1.00 10.00 A +ATOM 1416 N THR A 152 12.061 -9.663 10.948 1.00 10.00 A +ATOM 1417 HN THR A 152 11.747 -8.774 11.219 1.00 10.00 A +ATOM 1418 CA THR A 152 13.448 -10.042 11.171 1.00 10.00 A +ATOM 1419 CB THR A 152 14.405 -8.812 10.977 1.00 10.00 A +ATOM 1420 OG1 THR A 152 14.045 -7.798 11.912 1.00 10.00 A +ATOM 1421 HG1 THR A 152 14.795 -7.627 12.497 1.00 10.00 A +ATOM 1422 CG2 THR A 152 14.331 -8.249 9.553 1.00 10.00 A +ATOM 1423 C THR A 152 13.591 -10.618 12.562 1.00 10.00 A +ATOM 1424 O THR A 152 12.935 -10.172 13.492 1.00 10.00 A +ATOM 1425 N SER A 153 14.384 -11.679 12.674 1.00 10.00 A +ATOM 1426 HN SER A 153 14.835 -12.033 11.868 1.00 10.00 A +ATOM 1427 CA SER A 153 14.610 -12.322 13.948 1.00 10.00 A +ATOM 1428 CB SER A 153 15.210 -13.692 13.687 1.00 10.00 A +ATOM 1429 OG SER A 153 16.410 -13.635 12.938 1.00 10.00 A +ATOM 1430 HG SER A 153 17.141 -13.949 13.476 1.00 10.00 A +ATOM 1431 C SER A 153 15.523 -11.450 14.821 1.00 10.00 A +ATOM 1432 O SER A 153 15.372 -11.458 16.046 1.00 10.00 A +ATOM 1433 N LYS A 154 16.432 -10.648 14.234 1.00 10.00 A +ATOM 1434 HN LYS A 154 16.543 -10.689 13.262 1.00 10.00 A +ATOM 1435 CA LYS A 154 17.245 -9.710 14.996 1.00 10.00 A +ATOM 1436 CB LYS A 154 18.702 -10.141 14.964 1.00 10.00 A +ATOM 1437 CG LYS A 154 18.950 -11.403 15.794 1.00 10.00 A +ATOM 1438 CD LYS A 154 20.449 -11.555 15.936 1.00 10.00 A +ATOM 1439 CE LYS A 154 20.907 -12.506 17.043 1.00 10.00 A +ATOM 1440 NZ LYS A 154 20.870 -13.894 16.615 1.00 10.00 A +ATOM 1441 HZ1 LYS A 154 19.899 -14.162 16.359 1.00 10.00 A +ATOM 1442 HZ2 LYS A 154 21.201 -14.512 17.383 1.00 10.00 A +ATOM 1443 HZ3 LYS A 154 21.485 -14.028 15.787 1.00 10.00 A +ATOM 1444 C LYS A 154 17.104 -8.327 14.400 1.00 10.00 A +ATOM 1445 O LYS A 154 16.675 -8.194 13.252 1.00 10.00 A +ATOM 1446 N LYS A 155 17.452 -7.272 15.144 1.00 10.00 A +ATOM 1447 HN LYS A 155 17.794 -7.433 16.057 1.00 10.00 A +ATOM 1448 CA LYS A 155 17.358 -5.894 14.679 1.00 10.00 A +ATOM 1449 CB LYS A 155 17.442 -4.900 15.848 1.00 10.00 A +ATOM 1450 CG LYS A 155 17.120 -3.465 15.444 1.00 10.00 A +ATOM 1451 CD LYS A 155 15.708 -3.209 15.911 1.00 10.00 A +ATOM 1452 CE LYS A 155 14.880 -2.380 14.946 1.00 10.00 A +ATOM 1453 NZ LYS A 155 15.308 -0.999 14.871 1.00 10.00 A +ATOM 1454 HZ1 LYS A 155 16.323 -0.951 14.647 1.00 10.00 A +ATOM 1455 HZ2 LYS A 155 15.140 -0.523 15.781 1.00 10.00 A +ATOM 1456 HZ3 LYS A 155 14.776 -0.503 14.128 1.00 10.00 A +ATOM 1457 C LYS A 155 18.521 -5.629 13.744 1.00 10.00 A +ATOM 1458 O LYS A 155 19.682 -5.759 14.134 1.00 10.00 A +ATOM 1459 N ILE A 156 18.231 -5.267 12.491 1.00 10.00 A +ATOM 1460 HN ILE A 156 17.294 -5.149 12.234 1.00 10.00 A +ATOM 1461 CA ILE A 156 19.278 -5.050 11.487 1.00 10.00 A +ATOM 1462 CB ILE A 156 18.902 -5.737 10.139 1.00 10.00 A +ATOM 1463 CG1 ILE A 156 18.524 -7.212 10.337 1.00 10.00 A +ATOM 1464 CG2 ILE A 156 20.093 -5.620 9.201 1.00 10.00 A +ATOM 1465 CD1 ILE A 156 19.634 -8.084 10.930 1.00 10.00 A +ATOM 1466 C ILE A 156 19.343 -3.547 11.313 1.00 10.00 A +ATOM 1467 O ILE A 156 18.355 -2.952 10.901 1.00 10.00 A +ATOM 1468 N THR A 157 20.446 -2.886 11.649 1.00 10.00 A +ATOM 1469 HN THR A 157 21.227 -3.374 12.001 1.00 10.00 A +ATOM 1470 CA THR A 157 20.498 -1.442 11.500 1.00 10.00 A +ATOM 1471 CB THR A 157 20.494 -0.745 12.896 1.00 10.00 A +ATOM 1472 OG1 THR A 157 21.674 -1.219 13.535 1.00 10.00 A +ATOM 1473 HG1 THR A 157 22.269 -0.482 13.701 1.00 10.00 A +ATOM 1474 CG2 THR A 157 19.241 -1.018 13.756 1.00 10.00 A +ATOM 1475 C THR A 157 21.689 -0.955 10.704 1.00 10.00 A +ATOM 1476 O THR A 157 22.668 -1.656 10.486 1.00 10.00 A +ATOM 1477 N ILE A 158 21.542 0.267 10.206 1.00 10.00 A +ATOM 1478 HN ILE A 158 20.680 0.727 10.325 1.00 10.00 A +ATOM 1479 CA ILE A 158 22.600 0.947 9.493 1.00 10.00 A +ATOM 1480 CB ILE A 158 21.995 1.896 8.413 1.00 10.00 A +ATOM 1481 CG1 ILE A 158 21.084 1.131 7.445 1.00 10.00 A +ATOM 1482 CG2 ILE A 158 23.139 2.552 7.645 1.00 10.00 A +ATOM 1483 CD1 ILE A 158 20.291 2.053 6.505 1.00 10.00 A +ATOM 1484 C ILE A 158 23.321 1.715 10.597 1.00 10.00 A +ATOM 1485 O ILE A 158 22.924 2.808 10.993 1.00 10.00 A +ATOM 1486 N ALA A 159 24.339 1.094 11.192 1.00 10.00 A +ATOM 1487 HN ALA A 159 24.578 0.185 10.903 1.00 10.00 A +ATOM 1488 CA ALA A 159 25.132 1.741 12.242 1.00 10.00 A +ATOM 1489 CB ALA A 159 26.154 0.730 12.722 1.00 10.00 A +ATOM 1490 C ALA A 159 25.822 3.014 11.743 1.00 10.00 A +ATOM 1491 O ALA A 159 25.917 4.003 12.467 1.00 10.00 A +ATOM 1492 N ASP A 160 26.280 3.059 10.484 1.00 10.00 A +ATOM 1493 HN ASP A 160 26.193 2.265 9.915 1.00 10.00 A +ATOM 1494 CA ASP A 160 26.898 4.258 9.935 1.00 10.00 A +ATOM 1495 CB ASP A 160 28.403 4.313 10.240 1.00 10.00 A +ATOM 1496 CG ASP A 160 29.049 5.689 10.073 1.00 10.00 A +ATOM 1497 OD1 ASP A 160 28.386 6.700 9.843 1.00 10.00 A +ATOM 1498 OD2 ASP A 160 30.265 5.757 10.165 1.00 10.00 A +ATOM 1499 C ASP A 160 26.728 4.244 8.428 1.00 10.00 A +ATOM 1500 O ASP A 160 26.511 3.188 7.831 1.00 10.00 A +ATOM 1501 N CYS A 161 26.824 5.403 7.784 1.00 10.00 A +ATOM 1502 HN CYS A 161 27.016 6.224 8.295 1.00 10.00 A +ATOM 1503 CA CYS A 161 26.684 5.483 6.344 1.00 10.00 A +ATOM 1504 CB CYS A 161 25.188 5.374 5.926 1.00 10.00 A +ATOM 1505 SG CYS A 161 24.012 6.434 6.810 1.00 10.00 A +ATOM 1506 HG CYS A 161 24.243 7.687 6.437 1.00 10.00 A +ATOM 1507 C CYS A 161 27.256 6.783 5.875 1.00 10.00 A +ATOM 1508 O CYS A 161 27.383 7.741 6.634 1.00 10.00 A +ATOM 1509 N GLY A 162 27.614 6.800 4.603 1.00 10.00 A +ATOM 1510 HN GLY A 162 27.552 5.979 4.070 1.00 10.00 A +ATOM 1511 CA GLY A 162 28.090 8.018 4.001 1.00 10.00 A +ATOM 1512 C GLY A 162 28.545 7.783 2.575 1.00 10.00 A +ATOM 1513 O GLY A 162 28.257 6.760 1.962 1.00 10.00 A +ATOM 1514 N GLN A 163 29.295 8.727 2.031 1.00 10.00 A +ATOM 1515 HN GLN A 163 29.541 9.509 2.568 1.00 10.00 A +ATOM 1516 CA GLN A 163 29.776 8.628 0.663 1.00 10.00 A +ATOM 1517 CB GLN A 163 29.568 9.954 0.033 1.00 10.00 A +ATOM 1518 CG GLN A 163 29.783 9.944 -1.428 1.00 10.00 A +ATOM 1519 CD GLN A 163 29.221 11.184 -2.080 1.00 10.00 A +ATOM 1520 OE1 GLN A 163 28.451 11.943 -1.488 1.00 10.00 A +ATOM 1521 NE2 GLN A 163 29.591 11.463 -3.324 1.00 10.00 A +ATOM 1522 HE21 GLN A 163 30.214 10.855 -3.770 1.00 10.00 A +ATOM 1523 HE22 GLN A 163 29.228 12.271 -3.743 1.00 10.00 A +ATOM 1524 C GLN A 163 31.235 8.225 0.584 1.00 10.00 A +ATOM 1525 O GLN A 163 32.053 8.781 1.316 1.00 10.00 A +ATOM 1526 N LEU A 164 31.577 7.230 -0.231 1.00 10.00 A +ATOM 1527 HN LEU A 164 30.872 6.738 -0.711 1.00 10.00 A +ATOM 1528 CA LEU A 164 32.969 6.865 -0.442 1.00 10.00 A +ATOM 1529 CB LEU A 164 33.103 5.358 -0.650 1.00 10.00 A +ATOM 1530 CG LEU A 164 32.838 4.473 0.566 1.00 10.00 A +ATOM 1531 CD1 LEU A 164 32.921 3.034 0.148 1.00 10.00 A +ATOM 1532 CD2 LEU A 164 33.854 4.741 1.666 1.00 10.00 A +ATOM 1533 C LEU A 164 33.515 7.607 -1.649 1.00 10.00 A +ATOM 1534 O LEU A 164 34.700 7.935 -1.683 1.00 10.00 A +ATOM 1535 N GLU A 165 32.685 7.882 -2.664 1.00 10.00 A +ATOM 1536 HN GLU A 165 31.770 7.535 -2.621 1.00 10.00 A +ATOM 1537 CA GLU A 165 33.079 8.680 -3.831 1.00 10.00 A +ATOM 1538 CB GLU A 165 34.074 7.861 -4.724 1.00 10.00 A +ATOM 1539 CG GLU A 165 33.679 6.499 -5.297 1.00 10.00 A +ATOM 1540 CD GLU A 165 34.661 5.365 -4.976 1.00 10.00 A +ATOM 1541 OE1 GLU A 165 35.865 5.534 -5.195 1.00 10.00 A +ATOM 1542 OE2 GLU A 165 34.221 4.305 -4.516 1.00 10.00 A +ATOM 1543 C GLU A 165 31.888 9.171 -4.664 1.00 10.00 A +ATOM 1544 O GLU A 165 32.073 9.749 -5.738 1.00 10.00 A +ATOM 1545 N PRO B 1 -22.540 -10.056 -4.459 1.00 10.00 B +ATOM 1546 CA PRO B 1 -22.049 -10.385 -3.118 1.00 10.00 B +ATOM 1547 CB PRO B 1 -23.339 -10.580 -2.311 1.00 10.00 B +ATOM 1548 CG PRO B 1 -24.376 -10.910 -3.326 1.00 10.00 B +ATOM 1549 CD PRO B 1 -24.010 -10.102 -4.534 1.00 10.00 B +ATOM 1550 C PRO B 1 -21.235 -11.666 -3.104 1.00 10.00 B +ATOM 1551 O PRO B 1 -21.191 -12.387 -4.099 1.00 10.00 B +ATOM 1552 N ILE B 2 -20.581 -11.935 -1.981 1.00 10.00 B +ATOM 1553 HN ILE B 2 -20.559 -11.259 -1.263 1.00 10.00 B +ATOM 1554 CA ILE B 2 -19.916 -13.211 -1.781 1.00 10.00 B +ATOM 1555 CB ILE B 2 -18.521 -13.032 -1.169 1.00 10.00 B +ATOM 1556 CG1 ILE B 2 -17.631 -12.239 -2.130 1.00 10.00 B +ATOM 1557 CG2 ILE B 2 -17.900 -14.387 -0.854 1.00 10.00 B +ATOM 1558 CD1 ILE B 2 -16.185 -12.145 -1.693 1.00 10.00 B +ATOM 1559 C ILE B 2 -20.793 -14.071 -0.885 1.00 10.00 B +ATOM 1560 O ILE B 2 -21.114 -13.688 0.239 1.00 10.00 B +ATOM 1561 N VAL B 3 -21.204 -15.223 -1.403 1.00 10.00 B +ATOM 1562 HN VAL B 3 -20.885 -15.491 -2.297 1.00 10.00 B +ATOM 1563 CA VAL B 3 -22.108 -16.102 -0.678 1.00 10.00 B +ATOM 1564 CB VAL B 3 -23.506 -16.144 -1.330 1.00 10.00 B +ATOM 1565 CG1 VAL B 3 -24.115 -14.749 -1.366 1.00 10.00 B +ATOM 1566 CG2 VAL B 3 -23.420 -16.729 -2.730 1.00 10.00 B +ATOM 1567 C VAL B 3 -21.549 -17.514 -0.611 1.00 10.00 B +ATOM 1568 O VAL B 3 -20.695 -17.894 -1.411 1.00 10.00 B +ATOM 1569 N GLN B 4 -22.031 -18.287 0.353 1.00 10.00 B +ATOM 1570 HN GLN B 4 -22.685 -17.918 0.982 1.00 10.00 B +ATOM 1571 CA GLN B 4 -21.617 -19.675 0.486 1.00 10.00 B +ATOM 1572 CB GLN B 4 -21.587 -20.078 1.960 1.00 10.00 B +ATOM 1573 CG GLN B 4 -21.095 -21.493 2.202 1.00 10.00 B +ATOM 1574 CD GLN B 4 -21.126 -21.875 3.668 1.00 10.00 B +ATOM 1575 OE1 GLN B 4 -20.620 -22.926 4.058 1.00 10.00 B +ATOM 1576 NE2 GLN B 4 -21.726 -21.019 4.488 1.00 10.00 B +ATOM 1577 HE21 GLN B 4 -22.108 -20.202 4.107 1.00 10.00 B +ATOM 1578 HE22 GLN B 4 -21.760 -21.242 5.441 1.00 10.00 B +ATOM 1579 C GLN B 4 -22.572 -20.578 -0.282 1.00 10.00 B +ATOM 1580 O GLN B 4 -23.790 -20.475 -0.135 1.00 10.00 B +ATOM 1581 N ASN B 5 -22.022 -21.456 -1.115 1.00 10.00 B +ATOM 1582 HN ASN B 5 -21.048 -21.449 -1.261 1.00 10.00 B +ATOM 1583 CA ASN B 5 -22.854 -22.437 -1.804 1.00 10.00 B +ATOM 1584 CB ASN B 5 -22.331 -22.731 -3.213 1.00 10.00 B +ATOM 1585 CG ASN B 5 -20.956 -23.357 -3.210 1.00 10.00 B +ATOM 1586 OD1 ASN B 5 -20.445 -23.757 -2.164 1.00 10.00 B +ATOM 1587 ND2 ASN B 5 -20.350 -23.453 -4.389 1.00 10.00 B +ATOM 1588 HD21 ASN B 5 -20.816 -23.114 -5.182 1.00 10.00 B +ATOM 1589 HD22 ASN B 5 -19.473 -23.874 -4.411 1.00 10.00 B +ATOM 1590 C ASN B 5 -22.987 -23.712 -0.979 1.00 10.00 B +ATOM 1591 O ASN B 5 -22.528 -23.766 0.160 1.00 10.00 B +ATOM 1592 N LEU B 6 -23.619 -24.735 -1.548 1.00 10.00 B +ATOM 1593 HN LEU B 6 -23.932 -24.653 -2.472 1.00 10.00 B +ATOM 1594 CA LEU B 6 -23.863 -25.974 -0.815 1.00 10.00 B +ATOM 1595 CB LEU B 6 -24.889 -26.838 -1.544 1.00 10.00 B +ATOM 1596 CG LEU B 6 -26.291 -26.236 -1.630 1.00 10.00 B +ATOM 1597 CD1 LEU B 6 -27.227 -27.161 -2.387 1.00 10.00 B +ATOM 1598 CD2 LEU B 6 -26.829 -25.949 -0.234 1.00 10.00 B +ATOM 1599 C LEU B 6 -22.583 -26.766 -0.576 1.00 10.00 B +ATOM 1600 O LEU B 6 -22.529 -27.628 0.301 1.00 10.00 B +ATOM 1601 N GLN B 7 -21.554 -26.466 -1.356 1.00 10.00 B +ATOM 1602 HN GLN B 7 -21.654 -25.767 -2.035 1.00 10.00 B +ATOM 1603 CA GLN B 7 -20.271 -27.138 -1.205 1.00 10.00 B +ATOM 1604 CB GLN B 7 -19.597 -27.286 -2.568 1.00 10.00 B +ATOM 1605 CG GLN B 7 -20.496 -27.959 -3.597 1.00 10.00 B +ATOM 1606 CD GLN B 7 -19.931 -27.917 -4.998 1.00 10.00 B +ATOM 1607 OE1 GLN B 7 -18.717 -27.838 -5.193 1.00 10.00 B +ATOM 1608 NE2 GLN B 7 -20.813 -27.965 -5.992 1.00 10.00 B +ATOM 1609 HE21 GLN B 7 -21.763 -28.023 -5.764 1.00 10.00 B +ATOM 1610 HE22 GLN B 7 -20.474 -27.944 -6.911 1.00 10.00 B +ATOM 1611 C GLN B 7 -19.386 -26.380 -0.218 1.00 10.00 B +ATOM 1612 O GLN B 7 -18.166 -26.538 -0.210 1.00 10.00 B +ATOM 1613 N GLY B 8 -20.025 -25.557 0.611 1.00 10.00 B +ATOM 1614 HN GLY B 8 -20.989 -25.421 0.485 1.00 10.00 B +ATOM 1615 CA GLY B 8 -19.351 -24.849 1.686 1.00 10.00 B +ATOM 1616 C GLY B 8 -18.415 -23.741 1.245 1.00 10.00 B +ATOM 1617 O GLY B 8 -17.854 -23.030 2.079 1.00 10.00 B +ATOM 1618 N GLN B 9 -18.249 -23.584 -0.064 1.00 10.00 B +ATOM 1619 HN GLN B 9 -18.792 -24.116 -0.684 1.00 10.00 B +ATOM 1620 CA GLN B 9 -17.282 -22.630 -0.595 1.00 10.00 B +ATOM 1621 CB GLN B 9 -16.629 -23.181 -1.866 1.00 10.00 B +ATOM 1622 CG GLN B 9 -17.620 -23.629 -2.926 1.00 10.00 B +ATOM 1623 CD GLN B 9 -16.978 -24.484 -4.000 1.00 10.00 B +ATOM 1624 OE1 GLN B 9 -15.997 -25.184 -3.752 1.00 10.00 B +ATOM 1625 NE2 GLN B 9 -17.530 -24.431 -5.206 1.00 10.00 B +ATOM 1626 HE21 GLN B 9 -18.298 -23.849 -5.345 1.00 10.00 B +ATOM 1627 HE22 GLN B 9 -17.138 -24.986 -5.914 1.00 10.00 B +ATOM 1628 C GLN B 9 -17.885 -21.248 -0.848 1.00 10.00 B +ATOM 1629 O GLN B 9 -19.012 -21.122 -1.330 1.00 10.00 B +ATOM 1630 N MET B 10 -17.121 -20.214 -0.510 1.00 10.00 B +ATOM 1631 HN MET B 10 -16.248 -20.381 -0.100 1.00 10.00 B +ATOM 1632 CA MET B 10 -17.544 -18.839 -0.737 1.00 10.00 B +ATOM 1633 CB MET B 10 -16.754 -17.879 0.156 1.00 10.00 B +ATOM 1634 CG MET B 10 -16.856 -18.182 1.644 1.00 10.00 B +ATOM 1635 SD MET B 10 -18.552 -18.172 2.254 1.00 10.00 B +ATOM 1636 CE MET B 10 -19.061 -16.512 1.810 1.00 10.00 B +ATOM 1637 C MET B 10 -17.342 -18.477 -2.203 1.00 10.00 B +ATOM 1638 O MET B 10 -16.221 -18.523 -2.711 1.00 10.00 B +ATOM 1639 N VAL B 11 -18.430 -18.124 -2.882 1.00 10.00 B +ATOM 1640 HN VAL B 11 -19.302 -18.101 -2.418 1.00 10.00 B +ATOM 1641 CA VAL B 11 -18.362 -17.771 -4.292 1.00 10.00 B +ATOM 1642 CB VAL B 11 -19.081 -18.812 -5.168 1.00 10.00 B +ATOM 1643 CG1 VAL B 11 -18.360 -20.147 -5.101 1.00 10.00 B +ATOM 1644 CG2 VAL B 11 -20.526 -18.958 -4.728 1.00 10.00 B +ATOM 1645 C VAL B 11 -18.972 -16.397 -4.556 1.00 10.00 B +ATOM 1646 O VAL B 11 -19.899 -15.974 -3.864 1.00 10.00 B +ATOM 1647 N HIS B 12 -18.447 -15.707 -5.560 1.00 10.00 B +ATOM 1648 HN HIS B 12 -17.693 -16.083 -6.058 1.00 10.00 B +ATOM 1649 CA HIS B 12 -18.979 -14.411 -5.940 1.00 10.00 B +ATOM 1650 CB HIS B 12 -17.900 -13.530 -6.573 1.00 10.00 B +ATOM 1651 CG HIS B 12 -18.410 -12.205 -7.039 1.00 10.00 B +ATOM 1652 ND1 HIS B 12 -18.696 -11.938 -8.360 1.00 10.00 B +ATOM 1653 HD1 HIS B 12 -18.594 -12.564 -9.106 1.00 10.00 B +ATOM 1654 CD2 HIS B 12 -18.713 -11.076 -6.353 1.00 10.00 B +ATOM 1655 CE1 HIS B 12 -19.139 -10.697 -8.471 1.00 10.00 B +ATOM 1656 NE2 HIS B 12 -19.159 -10.154 -7.267 1.00 10.00 B +ATOM 1657 HE2 HIS B 12 -19.456 -9.240 -7.060 1.00 10.00 B +ATOM 1658 C HIS B 12 -20.142 -14.543 -6.913 1.00 10.00 B +ATOM 1659 O HIS B 12 -20.155 -15.425 -7.775 1.00 10.00 B +ATOM 1660 N GLN B 13 -21.120 -13.659 -6.760 1.00 10.00 B +ATOM 1661 HN GLN B 13 -21.140 -13.101 -5.947 1.00 10.00 B +ATOM 1662 CA GLN B 13 -22.170 -13.490 -7.750 1.00 10.00 B +ATOM 1663 CB GLN B 13 -23.408 -14.299 -7.369 1.00 10.00 B +ATOM 1664 CG GLN B 13 -24.080 -13.836 -6.092 1.00 10.00 B +ATOM 1665 CD GLN B 13 -25.196 -14.766 -5.654 1.00 10.00 B +ATOM 1666 OE1 GLN B 13 -25.190 -15.953 -5.978 1.00 10.00 B +ATOM 1667 NE2 GLN B 13 -26.161 -14.227 -4.915 1.00 10.00 B +ATOM 1668 HE21 GLN B 13 -26.099 -13.274 -4.699 1.00 10.00 B +ATOM 1669 HE22 GLN B 13 -26.892 -14.806 -4.616 1.00 10.00 B +ATOM 1670 C GLN B 13 -22.500 -12.005 -7.820 1.00 10.00 B +ATOM 1671 O GLN B 13 -22.422 -11.304 -6.816 1.00 10.00 B +ATOM 1672 N ALA B 14 -22.839 -11.521 -9.010 1.00 10.00 B +ATOM 1673 HN ALA B 14 -22.853 -12.118 -9.786 1.00 10.00 B +ATOM 1674 CA ALA B 14 -23.197 -10.119 -9.180 1.00 10.00 B +ATOM 1675 CB ALA B 14 -23.411 -9.804 -10.648 1.00 10.00 B +ATOM 1676 C ALA B 14 -24.454 -9.801 -8.378 1.00 10.00 B +ATOM 1677 O ALA B 14 -25.275 -10.684 -8.139 1.00 10.00 B +ATOM 1678 N ILE B 15 -24.594 -8.549 -7.950 1.00 10.00 B +ATOM 1679 HN ILE B 15 -23.871 -7.904 -8.107 1.00 10.00 B +ATOM 1680 CA ILE B 15 -25.791 -8.116 -7.239 1.00 10.00 B +ATOM 1681 CB ILE B 15 -25.711 -6.619 -6.850 1.00 10.00 B +ATOM 1682 CG1 ILE B 15 -26.890 -6.225 -5.955 1.00 10.00 B +ATOM 1683 CG2 ILE B 15 -25.645 -5.737 -8.093 1.00 10.00 B +ATOM 1684 CD1 ILE B 15 -26.812 -6.798 -4.561 1.00 10.00 B +ATOM 1685 C ILE B 15 -27.009 -8.355 -8.126 1.00 10.00 B +ATOM 1686 O ILE B 15 -26.969 -8.084 -9.325 1.00 10.00 B +ATOM 1687 N SER B 16 -28.089 -8.876 -7.549 1.00 10.00 B +ATOM 1688 HN SER B 16 -28.092 -9.041 -6.584 1.00 10.00 B +ATOM 1689 CA SER B 16 -29.277 -9.197 -8.345 1.00 10.00 B +ATOM 1690 CB SER B 16 -30.093 -10.311 -7.686 1.00 10.00 B +ATOM 1691 OG SER B 16 -30.848 -9.820 -6.593 1.00 10.00 B +ATOM 1692 HG SER B 16 -30.347 -9.922 -5.777 1.00 10.00 B +ATOM 1693 C SER B 16 -30.161 -7.978 -8.580 1.00 10.00 B +ATOM 1694 O SER B 16 -30.331 -7.147 -7.690 1.00 10.00 B +ATOM 1695 N PRO B 17 -30.723 -7.860 -9.793 1.00 10.00 B +ATOM 1696 CA PRO B 17 -31.675 -6.785 -10.076 1.00 10.00 B +ATOM 1697 CB PRO B 17 -32.097 -7.068 -11.519 1.00 10.00 B +ATOM 1698 CG PRO B 17 -30.921 -7.762 -12.112 1.00 10.00 B +ATOM 1699 CD PRO B 17 -30.367 -8.617 -11.008 1.00 10.00 B +ATOM 1700 C PRO B 17 -32.877 -6.857 -9.138 1.00 10.00 B +ATOM 1701 O PRO B 17 -33.553 -5.849 -8.928 1.00 10.00 B +ATOM 1702 N ARG B 18 -33.136 -8.034 -8.581 1.00 10.00 B +ATOM 1703 HN ARG B 18 -32.584 -8.809 -8.817 1.00 10.00 B +ATOM 1704 CA ARG B 18 -34.221 -8.187 -7.617 1.00 10.00 B +ATOM 1705 CB ARG B 18 -34.411 -9.663 -7.254 1.00 10.00 B +ATOM 1706 CG ARG B 18 -35.503 -9.928 -6.229 1.00 10.00 B +ATOM 1707 CD ARG B 18 -36.894 -9.911 -6.853 1.00 10.00 B +ATOM 1708 NE ARG B 18 -37.148 -11.099 -7.666 1.00 10.00 B +ATOM 1709 HE ARG B 18 -36.417 -11.747 -7.753 1.00 10.00 B +ATOM 1710 CZ ARG B 18 -38.300 -11.352 -8.280 1.00 10.00 B +ATOM 1711 NH1 ARG B 18 -39.314 -10.499 -8.183 1.00 10.00 B +ATOM 1712 HH11 ARG B 18 -39.214 -9.662 -7.645 1.00 10.00 B +ATOM 1713 HH12 ARG B 18 -40.179 -10.690 -8.647 1.00 10.00 B +ATOM 1714 NH2 ARG B 18 -38.442 -12.459 -8.996 1.00 10.00 B +ATOM 1715 HH21 ARG B 18 -37.682 -13.106 -9.075 1.00 10.00 B +ATOM 1716 HH22 ARG B 18 -39.307 -12.652 -9.459 1.00 10.00 B +ATOM 1717 C ARG B 18 -33.898 -7.369 -6.370 1.00 10.00 B +ATOM 1718 O ARG B 18 -34.737 -6.627 -5.857 1.00 10.00 B +ATOM 1719 N THR B 19 -32.666 -7.511 -5.895 1.00 10.00 B +ATOM 1720 HN THR B 19 -32.057 -8.150 -6.333 1.00 10.00 B +ATOM 1721 CA THR B 19 -32.181 -6.754 -4.751 1.00 10.00 B +ATOM 1722 CB THR B 19 -30.793 -7.251 -4.322 1.00 10.00 B +ATOM 1723 OG1 THR B 19 -30.889 -8.621 -3.915 1.00 10.00 B +ATOM 1724 HG1 THR B 19 -31.631 -8.725 -3.315 1.00 10.00 B +ATOM 1725 CG2 THR B 19 -30.258 -6.416 -3.165 1.00 10.00 B +ATOM 1726 C THR B 19 -32.095 -5.271 -5.082 1.00 10.00 B +ATOM 1727 O THR B 19 -32.514 -4.422 -4.289 1.00 10.00 B +ATOM 1728 N LEU B 20 -31.544 -4.956 -6.249 1.00 10.00 B +ATOM 1729 HN LEU B 20 -31.186 -5.671 -6.826 1.00 10.00 B +ATOM 1730 CA LEU B 20 -31.451 -3.565 -6.681 1.00 10.00 B +ATOM 1731 CB LEU B 20 -30.743 -3.457 -8.030 1.00 10.00 B +ATOM 1732 CG LEU B 20 -29.245 -3.748 -8.027 1.00 10.00 B +ATOM 1733 CD1 LEU B 20 -28.706 -3.733 -9.442 1.00 10.00 B +ATOM 1734 CD2 LEU B 20 -28.502 -2.742 -7.154 1.00 10.00 B +ATOM 1735 C LEU B 20 -32.825 -2.907 -6.758 1.00 10.00 B +ATOM 1736 O LEU B 20 -33.004 -1.775 -6.314 1.00 10.00 B +ATOM 1737 N ASN B 21 -33.796 -3.613 -7.325 1.00 10.00 B +ATOM 1738 HN ASN B 21 -33.602 -4.507 -7.692 1.00 10.00 B +ATOM 1739 CA ASN B 21 -35.144 -3.069 -7.430 1.00 10.00 B +ATOM 1740 CB ASN B 21 -36.041 -3.987 -8.259 1.00 10.00 B +ATOM 1741 CG ASN B 21 -35.758 -3.881 -9.736 1.00 10.00 B +ATOM 1742 OD1 ASN B 21 -34.896 -3.112 -10.155 1.00 10.00 B +ATOM 1743 ND2 ASN B 21 -36.482 -4.654 -10.536 1.00 10.00 B +ATOM 1744 HD21 ASN B 21 -37.151 -5.243 -10.132 1.00 10.00 B +ATOM 1745 HD22 ASN B 21 -36.316 -4.601 -11.501 1.00 10.00 B +ATOM 1746 C ASN B 21 -35.767 -2.791 -6.074 1.00 10.00 B +ATOM 1747 O ASN B 21 -36.472 -1.799 -5.906 1.00 10.00 B +ATOM 1748 N ALA B 22 -35.510 -3.669 -5.108 1.00 10.00 B +ATOM 1749 HN ALA B 22 -34.968 -4.463 -5.310 1.00 10.00 B +ATOM 1750 CA ALA B 22 -36.022 -3.473 -3.753 1.00 10.00 B +ATOM 1751 CB ALA B 22 -35.757 -4.701 -2.896 1.00 10.00 B +ATOM 1752 C ALA B 22 -35.418 -2.227 -3.110 1.00 10.00 B +ATOM 1753 O ALA B 22 -36.092 -1.519 -2.361 1.00 10.00 B +ATOM 1754 N TRP B 23 -34.150 -1.964 -3.406 1.00 10.00 B +ATOM 1755 HN TRP B 23 -33.657 -2.582 -3.991 1.00 10.00 B +ATOM 1756 CA TRP B 23 -33.472 -0.784 -2.877 1.00 10.00 B +ATOM 1757 CB TRP B 23 -31.959 -0.890 -3.091 1.00 10.00 B +ATOM 1758 CG TRP B 23 -31.216 0.370 -2.778 1.00 10.00 B +ATOM 1759 CD1 TRP B 23 -30.425 1.084 -3.629 1.00 10.00 B +ATOM 1760 CD2 TRP B 23 -31.201 1.074 -1.529 1.00 10.00 B +ATOM 1761 NE1 TRP B 23 -29.914 2.188 -2.987 1.00 10.00 B +ATOM 1762 HE1 TRP B 23 -29.318 2.854 -3.391 1.00 10.00 B +ATOM 1763 CE2 TRP B 23 -30.376 2.206 -1.699 1.00 10.00 B +ATOM 1764 CE3 TRP B 23 -31.806 0.861 -0.286 1.00 10.00 B +ATOM 1765 CZ2 TRP B 23 -30.140 3.118 -0.670 1.00 10.00 B +ATOM 1766 CZ3 TRP B 23 -31.568 1.769 0.733 1.00 10.00 B +ATOM 1767 CH2 TRP B 23 -30.741 2.881 0.535 1.00 10.00 B +ATOM 1768 C TRP B 23 -34.020 0.492 -3.512 1.00 10.00 B +ATOM 1769 O TRP B 23 -34.342 1.458 -2.815 1.00 10.00 B +ATOM 1770 N VAL B 24 -34.129 0.486 -4.837 1.00 10.00 B +ATOM 1771 HN VAL B 24 -33.809 -0.295 -5.344 1.00 10.00 B +ATOM 1772 CA VAL B 24 -34.704 1.615 -5.557 1.00 10.00 B +ATOM 1773 CB VAL B 24 -34.776 1.343 -7.072 1.00 10.00 B +ATOM 1774 CG1 VAL B 24 -35.614 2.405 -7.765 1.00 10.00 B +ATOM 1775 CG2 VAL B 24 -33.377 1.284 -7.670 1.00 10.00 B +ATOM 1776 C VAL B 24 -36.111 1.885 -5.039 1.00 10.00 B +ATOM 1777 O VAL B 24 -36.515 3.038 -4.877 1.00 10.00 B +ATOM 1778 N LYS B 25 -36.844 0.810 -4.765 1.00 10.00 B +ATOM 1779 HN LYS B 25 -36.448 -0.082 -4.884 1.00 10.00 B +ATOM 1780 CA LYS B 25 -38.226 0.919 -4.315 1.00 10.00 B +ATOM 1781 CB LYS B 25 -38.895 -0.453 -4.280 1.00 10.00 B +ATOM 1782 CG LYS B 25 -40.337 -0.412 -3.799 1.00 10.00 B +ATOM 1783 CD LYS B 25 -40.958 -1.795 -3.756 1.00 10.00 B +ATOM 1784 CE LYS B 25 -42.404 -1.724 -3.293 1.00 10.00 B +ATOM 1785 NZ LYS B 25 -43.217 -0.813 -4.152 1.00 10.00 B +ATOM 1786 HZ1 LYS B 25 -43.219 0.151 -3.741 1.00 10.00 B +ATOM 1787 HZ2 LYS B 25 -44.196 -1.155 -4.211 1.00 10.00 B +ATOM 1788 HZ3 LYS B 25 -42.816 -0.769 -5.110 1.00 10.00 B +ATOM 1789 C LYS B 25 -38.340 1.594 -2.951 1.00 10.00 B +ATOM 1790 O LYS B 25 -39.166 2.492 -2.768 1.00 10.00 B +ATOM 1791 N VAL B 26 -37.523 1.164 -1.996 1.00 10.00 B +ATOM 1792 HN VAL B 26 -36.852 0.474 -2.205 1.00 10.00 B +ATOM 1793 CA VAL B 26 -37.612 1.702 -0.641 1.00 10.00 B +ATOM 1794 CB VAL B 26 -36.654 0.988 0.342 1.00 10.00 B +ATOM 1795 CG1 VAL B 26 -35.220 1.423 0.104 1.00 10.00 B +ATOM 1796 CG2 VAL B 26 -37.059 1.284 1.778 1.00 10.00 B +ATOM 1797 C VAL B 26 -37.342 3.203 -0.640 1.00 10.00 B +ATOM 1798 O VAL B 26 -37.965 3.955 0.113 1.00 10.00 B +ATOM 1799 N VAL B 27 -36.417 3.634 -1.491 1.00 10.00 B +ATOM 1800 HN VAL B 27 -35.977 2.988 -2.089 1.00 10.00 B +ATOM 1801 CA VAL B 27 -36.043 5.040 -1.564 1.00 10.00 B +ATOM 1802 CB VAL B 27 -34.668 5.228 -2.230 1.00 10.00 B +ATOM 1803 CG1 VAL B 27 -34.474 6.672 -2.654 1.00 10.00 B +ATOM 1804 CG2 VAL B 27 -33.563 4.787 -1.284 1.00 10.00 B +ATOM 1805 C VAL B 27 -37.081 5.867 -2.314 1.00 10.00 B +ATOM 1806 O VAL B 27 -37.449 6.957 -1.881 1.00 10.00 B +ATOM 1807 N GLU B 28 -37.552 5.347 -3.439 1.00 10.00 B +ATOM 1808 HN GLU B 28 -37.257 4.451 -3.724 1.00 10.00 B +ATOM 1809 CA GLU B 28 -38.490 6.092 -4.268 1.00 10.00 B +ATOM 1810 CB GLU B 28 -38.542 5.517 -5.688 1.00 10.00 B +ATOM 1811 CG GLU B 28 -37.265 5.745 -6.492 1.00 10.00 B +ATOM 1812 CD GLU B 28 -37.397 5.321 -7.947 1.00 10.00 B +ATOM 1813 OE1 GLU B 28 -38.306 4.524 -8.261 1.00 10.00 B +ATOM 1814 OE2 GLU B 28 -36.589 5.789 -8.781 1.00 10.00 B +ATOM 1815 C GLU B 28 -39.890 6.160 -3.660 1.00 10.00 B +ATOM 1816 O GLU B 28 -40.684 7.023 -4.028 1.00 10.00 B +ATOM 1817 N GLU B 29 -40.189 5.268 -2.721 1.00 10.00 B +ATOM 1818 HN GLU B 29 -39.520 4.601 -2.453 1.00 10.00 B +ATOM 1819 CA GLU B 29 -41.517 5.248 -2.115 1.00 10.00 B +ATOM 1820 CB GLU B 29 -42.131 3.844 -2.175 1.00 10.00 B +ATOM 1821 CG GLU B 29 -41.737 2.926 -1.030 1.00 10.00 B +ATOM 1822 CD GLU B 29 -42.417 1.568 -1.110 1.00 10.00 B +ATOM 1823 OE1 GLU B 29 -42.195 0.732 -0.210 1.00 10.00 B +ATOM 1824 OE2 GLU B 29 -43.176 1.341 -2.076 1.00 10.00 B +ATOM 1825 C GLU B 29 -41.528 5.769 -0.677 1.00 10.00 B +ATOM 1826 O GLU B 29 -42.585 6.096 -0.146 1.00 10.00 B +ATOM 1827 N LYS B 30 -40.352 5.852 -0.059 1.00 10.00 B +ATOM 1828 HN LYS B 30 -39.539 5.594 -0.540 1.00 10.00 B +ATOM 1829 CA LYS B 30 -40.257 6.294 1.334 1.00 10.00 B +ATOM 1830 CB LYS B 30 -39.881 5.119 2.237 1.00 10.00 B +ATOM 1831 CG LYS B 30 -40.916 4.006 2.232 1.00 10.00 B +ATOM 1832 CD LYS B 30 -40.378 2.729 2.848 1.00 10.00 B +ATOM 1833 CE LYS B 30 -41.415 1.617 2.781 1.00 10.00 B +ATOM 1834 NZ LYS B 30 -40.875 0.322 3.282 1.00 10.00 B +ATOM 1835 HZ1 LYS B 30 -41.574 -0.434 3.143 1.00 10.00 B +ATOM 1836 HZ2 LYS B 30 -40.661 0.401 4.299 1.00 10.00 B +ATOM 1837 HZ3 LYS B 30 -40.004 0.078 2.772 1.00 10.00 B +ATOM 1838 C LYS B 30 -39.284 7.459 1.523 1.00 10.00 B +ATOM 1839 O LYS B 30 -39.230 8.066 2.593 1.00 10.00 B +ATOM 1840 N ALA B 31 -38.522 7.763 0.477 1.00 10.00 B +ATOM 1841 HN ALA B 31 -38.545 7.178 -0.311 1.00 10.00 B +ATOM 1842 CA ALA B 31 -37.648 8.938 0.447 1.00 10.00 B +ATOM 1843 CB ALA B 31 -38.435 10.171 0.034 1.00 10.00 B +ATOM 1844 C ALA B 31 -36.871 9.220 1.737 1.00 10.00 B +ATOM 1845 O ALA B 31 -37.225 10.113 2.506 1.00 10.00 B +ATOM 1846 N PHE B 32 -35.805 8.461 1.957 1.00 10.00 B +ATOM 1847 HN PHE B 32 -35.638 7.700 1.362 1.00 10.00 B +ATOM 1848 CA PHE B 32 -34.871 8.718 3.056 1.00 10.00 B +ATOM 1849 CB PHE B 32 -33.944 9.890 2.715 1.00 10.00 B +ATOM 1850 CG PHE B 32 -33.181 9.690 1.441 1.00 10.00 B +ATOM 1851 CD1 PHE B 32 -32.178 8.736 1.363 1.00 10.00 B +ATOM 1852 CD2 PHE B 32 -33.470 10.444 0.315 1.00 10.00 B +ATOM 1853 CE1 PHE B 32 -31.477 8.540 0.191 1.00 10.00 B +ATOM 1854 CE2 PHE B 32 -32.771 10.251 -0.862 1.00 10.00 B +ATOM 1855 CZ PHE B 32 -31.773 9.300 -0.924 1.00 10.00 B +ATOM 1856 C PHE B 32 -35.505 8.912 4.434 1.00 10.00 B +ATOM 1857 O PHE B 32 -34.996 9.671 5.258 1.00 10.00 B +ATOM 1858 N SER B 33 -36.608 8.222 4.688 1.00 10.00 B +ATOM 1859 HN SER B 33 -37.094 7.790 3.954 1.00 10.00 B +ATOM 1860 CA SER B 33 -37.104 8.105 6.049 1.00 10.00 B +ATOM 1861 CB SER B 33 -38.552 7.615 6.055 1.00 10.00 B +ATOM 1862 OG SER B 33 -38.645 6.313 5.509 1.00 10.00 B +ATOM 1863 HG SER B 33 -39.566 6.114 5.314 1.00 10.00 B +ATOM 1864 C SER B 33 -36.196 7.105 6.756 1.00 10.00 B +ATOM 1865 O SER B 33 -35.416 6.414 6.103 1.00 10.00 B +ATOM 1866 N PRO B 34 -36.276 7.030 8.091 1.00 10.00 B +ATOM 1867 CA PRO B 34 -35.400 6.113 8.833 1.00 10.00 B +ATOM 1868 CB PRO B 34 -35.934 6.204 10.262 1.00 10.00 B +ATOM 1869 CG PRO B 34 -36.493 7.584 10.349 1.00 10.00 B +ATOM 1870 CD PRO B 34 -37.077 7.877 8.993 1.00 10.00 B +ATOM 1871 C PRO B 34 -35.449 4.668 8.335 1.00 10.00 B +ATOM 1872 O PRO B 34 -34.469 3.943 8.505 1.00 10.00 B +ATOM 1873 N GLU B 35 -36.563 4.262 7.726 1.00 10.00 B +ATOM 1874 HN GLU B 35 -37.291 4.906 7.595 1.00 10.00 B +ATOM 1875 CA GLU B 35 -36.735 2.894 7.237 1.00 10.00 B +ATOM 1876 CB GLU B 35 -38.113 2.717 6.592 1.00 10.00 B +ATOM 1877 CG GLU B 35 -39.288 3.097 7.477 1.00 10.00 B +ATOM 1878 CD GLU B 35 -40.616 2.984 6.751 1.00 10.00 B +ATOM 1879 OE1 GLU B 35 -40.731 2.132 5.843 1.00 10.00 B +ATOM 1880 OE2 GLU B 35 -41.544 3.750 7.083 1.00 10.00 B +ATOM 1881 C GLU B 35 -35.667 2.469 6.232 1.00 10.00 B +ATOM 1882 O GLU B 35 -35.360 1.286 6.108 1.00 10.00 B +ATOM 1883 N VAL B 36 -35.113 3.430 5.501 1.00 10.00 B +ATOM 1884 HN VAL B 36 -35.340 4.372 5.680 1.00 10.00 B +ATOM 1885 CA VAL B 36 -34.166 3.099 4.440 1.00 10.00 B +ATOM 1886 CB VAL B 36 -33.798 4.329 3.583 1.00 10.00 B +ATOM 1887 CG1 VAL B 36 -35.047 4.907 2.929 1.00 10.00 B +ATOM 1888 CG2 VAL B 36 -33.089 5.371 4.427 1.00 10.00 B +ATOM 1889 C VAL B 36 -32.886 2.457 4.961 1.00 10.00 B +ATOM 1890 O VAL B 36 -32.216 1.728 4.233 1.00 10.00 B +ATOM 1891 N ILE B 37 -32.547 2.721 6.219 1.00 10.00 B +ATOM 1892 HN ILE B 37 -33.143 3.264 6.779 1.00 10.00 B +ATOM 1893 CA ILE B 37 -31.299 2.202 6.781 1.00 10.00 B +ATOM 1894 CB ILE B 37 -30.853 2.988 8.034 1.00 10.00 B +ATOM 1895 CG1 ILE B 37 -30.667 4.469 7.685 1.00 10.00 B +ATOM 1896 CG2 ILE B 37 -29.563 2.407 8.594 1.00 10.00 B +ATOM 1897 CD1 ILE B 37 -30.380 5.355 8.871 1.00 10.00 B +ATOM 1898 C ILE B 37 -31.357 0.695 7.056 1.00 10.00 B +ATOM 1899 O ILE B 37 -30.527 -0.062 6.541 1.00 10.00 B +ATOM 1900 N PRO B 38 -32.338 0.246 7.858 1.00 10.00 B +ATOM 1901 CA PRO B 38 -32.434 -1.202 8.068 1.00 10.00 B +ATOM 1902 CB PRO B 38 -33.671 -1.350 8.956 1.00 10.00 B +ATOM 1903 CG PRO B 38 -33.802 -0.039 9.643 1.00 10.00 B +ATOM 1904 CD PRO B 38 -33.329 0.986 8.655 1.00 10.00 B +ATOM 1905 C PRO B 38 -32.641 -1.946 6.751 1.00 10.00 B +ATOM 1906 O PRO B 38 -32.174 -3.074 6.612 1.00 10.00 B +ATOM 1907 N MET B 39 -33.333 -1.322 5.801 1.00 10.00 B +ATOM 1908 HN MET B 39 -33.704 -0.430 5.980 1.00 10.00 B +ATOM 1909 CA MET B 39 -33.548 -1.948 4.501 1.00 10.00 B +ATOM 1910 CB MET B 39 -34.557 -1.161 3.666 1.00 10.00 B +ATOM 1911 CG MET B 39 -34.757 -1.716 2.260 1.00 10.00 B +ATOM 1912 SD MET B 39 -35.609 -3.311 2.212 1.00 10.00 B +ATOM 1913 CE MET B 39 -37.266 -2.805 2.665 1.00 10.00 B +ATOM 1914 C MET B 39 -32.230 -2.060 3.753 1.00 10.00 B +ATOM 1915 O MET B 39 -31.929 -3.096 3.157 1.00 10.00 B +ATOM 1916 N PHE B 40 -31.441 -0.995 3.787 1.00 10.00 B +ATOM 1917 HN PHE B 40 -31.734 -0.178 4.252 1.00 10.00 B +ATOM 1918 CA PHE B 40 -30.146 -1.029 3.128 1.00 10.00 B +ATOM 1919 CB PHE B 40 -29.423 0.312 3.242 1.00 10.00 B +ATOM 1920 CG PHE B 40 -28.111 0.338 2.524 1.00 10.00 B +ATOM 1921 CD1 PHE B 40 -28.063 0.529 1.151 1.00 10.00 B +ATOM 1922 CD2 PHE B 40 -26.929 0.151 3.212 1.00 10.00 B +ATOM 1923 CE1 PHE B 40 -26.859 0.544 0.483 1.00 10.00 B +ATOM 1924 CE2 PHE B 40 -25.719 0.166 2.550 1.00 10.00 B +ATOM 1925 CZ PHE B 40 -25.685 0.362 1.184 1.00 10.00 B +ATOM 1926 C PHE B 40 -29.291 -2.157 3.702 1.00 10.00 B +ATOM 1927 O PHE B 40 -28.655 -2.902 2.959 1.00 10.00 B +ATOM 1928 N SER B 41 -29.289 -2.297 5.025 1.00 10.00 B +ATOM 1929 HN SER B 41 -29.795 -1.660 5.581 1.00 10.00 B +ATOM 1930 CA SER B 41 -28.534 -3.374 5.663 1.00 10.00 B +ATOM 1931 CB SER B 41 -28.620 -3.278 7.185 1.00 10.00 B +ATOM 1932 OG SER B 41 -27.897 -2.161 7.665 1.00 10.00 B +ATOM 1933 HG SER B 41 -28.238 -1.903 8.525 1.00 10.00 B +ATOM 1934 C SER B 41 -29.018 -4.749 5.204 1.00 10.00 B +ATOM 1935 O SER B 41 -28.223 -5.608 4.826 1.00 10.00 B +ATOM 1936 N ALA B 42 -30.329 -4.948 5.244 1.00 10.00 B +ATOM 1937 HN ALA B 42 -30.918 -4.216 5.537 1.00 10.00 B +ATOM 1938 CA ALA B 42 -30.920 -6.229 4.869 1.00 10.00 B +ATOM 1939 CB ALA B 42 -32.420 -6.185 5.069 1.00 10.00 B +ATOM 1940 C ALA B 42 -30.590 -6.620 3.430 1.00 10.00 B +ATOM 1941 O ALA B 42 -30.412 -7.799 3.124 1.00 10.00 B +ATOM 1942 N LEU B 43 -30.496 -5.626 2.552 1.00 10.00 B +ATOM 1943 HN LEU B 43 -30.560 -4.697 2.871 1.00 10.00 B +ATOM 1944 CA LEU B 43 -30.323 -5.882 1.123 1.00 10.00 B +ATOM 1945 CB LEU B 43 -31.001 -4.783 0.301 1.00 10.00 B +ATOM 1946 CG LEU B 43 -32.523 -4.676 0.419 1.00 10.00 B +ATOM 1947 CD1 LEU B 43 -33.029 -3.484 -0.383 1.00 10.00 B +ATOM 1948 CD2 LEU B 43 -33.198 -5.961 -0.037 1.00 10.00 B +ATOM 1949 C LEU B 43 -28.857 -5.998 0.710 1.00 10.00 B +ATOM 1950 O LEU B 43 -28.558 -6.401 -0.413 1.00 10.00 B +ATOM 1951 N SER B 44 -27.947 -5.654 1.613 1.00 10.00 B +ATOM 1952 HN SER B 44 -28.233 -5.429 2.526 1.00 10.00 B +ATOM 1953 CA SER B 44 -26.528 -5.602 1.271 1.00 10.00 B +ATOM 1954 CB SER B 44 -25.943 -4.243 1.659 1.00 10.00 B +ATOM 1955 OG SER B 44 -26.145 -3.981 3.034 1.00 10.00 B +ATOM 1956 HG SER B 44 -26.903 -3.391 3.138 1.00 10.00 B +ATOM 1957 C SER B 44 -25.712 -6.730 1.900 1.00 10.00 B +ATOM 1958 O SER B 44 -24.490 -6.641 2.000 1.00 10.00 B +ATOM 1959 N GLU B 45 -26.387 -7.796 2.317 1.00 10.00 B +ATOM 1960 HN GLU B 45 -27.362 -7.815 2.213 1.00 10.00 B +ATOM 1961 CA GLU B 45 -25.712 -8.938 2.926 1.00 10.00 B +ATOM 1962 CB GLU B 45 -26.738 -9.998 3.327 1.00 10.00 B +ATOM 1963 CG GLU B 45 -26.170 -11.176 4.093 1.00 10.00 B +ATOM 1964 CD GLU B 45 -27.255 -12.106 4.606 1.00 10.00 B +ATOM 1965 OE1 GLU B 45 -28.439 -11.702 4.607 1.00 10.00 B +ATOM 1966 OE2 GLU B 45 -26.926 -13.245 5.005 1.00 10.00 B +ATOM 1967 C GLU B 45 -24.651 -9.539 1.996 1.00 10.00 B +ATOM 1968 O GLU B 45 -24.947 -9.915 0.864 1.00 10.00 B +ATOM 1969 N GLY B 46 -23.410 -9.604 2.478 1.00 10.00 B +ATOM 1970 HN GLY B 46 -23.236 -9.242 3.371 1.00 10.00 B +ATOM 1971 CA GLY B 46 -22.311 -10.195 1.731 1.00 10.00 B +ATOM 1972 C GLY B 46 -21.808 -9.350 0.573 1.00 10.00 B +ATOM 1973 O GLY B 46 -21.030 -9.818 -0.259 1.00 10.00 B +ATOM 1974 N ALA B 47 -22.241 -8.098 0.521 1.00 10.00 B +ATOM 1975 HN ALA B 47 -22.792 -7.751 1.255 1.00 10.00 B +ATOM 1976 CA ALA B 47 -21.935 -7.227 -0.611 1.00 10.00 B +ATOM 1977 CB ALA B 47 -22.785 -5.963 -0.538 1.00 10.00 B +ATOM 1978 C ALA B 47 -20.455 -6.857 -0.728 1.00 10.00 B +ATOM 1979 O ALA B 47 -19.777 -6.638 0.271 1.00 10.00 B +ATOM 1980 N THR B 48 -19.958 -6.782 -1.960 1.00 10.00 B +ATOM 1981 HN THR B 48 -20.492 -7.126 -2.714 1.00 10.00 B +ATOM 1982 CA THR B 48 -18.646 -6.191 -2.221 1.00 10.00 B +ATOM 1983 CB THR B 48 -18.097 -6.648 -3.577 1.00 10.00 B +ATOM 1984 OG1 THR B 48 -18.972 -6.187 -4.615 1.00 10.00 B +ATOM 1985 HG1 THR B 48 -19.703 -6.811 -4.723 1.00 10.00 B +ATOM 1986 CG2 THR B 48 -17.992 -8.157 -3.629 1.00 10.00 B +ATOM 1987 C THR B 48 -18.833 -4.687 -2.323 1.00 10.00 B +ATOM 1988 O THR B 48 -19.953 -4.215 -2.509 1.00 10.00 B +ATOM 1989 N PRO B 49 -17.738 -3.921 -2.214 1.00 10.00 B +ATOM 1990 CA PRO B 49 -17.854 -2.485 -2.472 1.00 10.00 B +ATOM 1991 CB PRO B 49 -16.405 -2.001 -2.388 1.00 10.00 B +ATOM 1992 CG PRO B 49 -15.763 -2.955 -1.418 1.00 10.00 B +ATOM 1993 CD PRO B 49 -16.411 -4.289 -1.693 1.00 10.00 B +ATOM 1994 C PRO B 49 -18.453 -2.199 -3.852 1.00 10.00 B +ATOM 1995 O PRO B 49 -19.212 -1.243 -3.990 1.00 10.00 B +ATOM 1996 N GLN B 50 -18.135 -3.017 -4.855 1.00 10.00 B +ATOM 1997 HN GLN B 50 -17.486 -3.742 -4.709 1.00 10.00 B +ATOM 1998 CA GLN B 50 -18.750 -2.842 -6.170 1.00 10.00 B +ATOM 1999 CB GLN B 50 -18.210 -3.860 -7.173 1.00 10.00 B +ATOM 2000 CG GLN B 50 -18.764 -3.663 -8.573 1.00 10.00 B +ATOM 2001 CD GLN B 50 -18.477 -4.840 -9.481 1.00 10.00 B +ATOM 2002 OE1 GLN B 50 -18.936 -5.956 -9.238 1.00 10.00 B +ATOM 2003 NE2 GLN B 50 -17.708 -4.596 -10.535 1.00 10.00 B +ATOM 2004 HE21 GLN B 50 -17.374 -3.684 -10.665 1.00 10.00 B +ATOM 2005 HE22 GLN B 50 -17.504 -5.339 -11.140 1.00 10.00 B +ATOM 2006 C GLN B 50 -20.277 -2.935 -6.103 1.00 10.00 B +ATOM 2007 O GLN B 50 -20.981 -2.100 -6.671 1.00 10.00 B +ATOM 2008 N ASP B 51 -20.782 -3.954 -5.411 1.00 10.00 B +ATOM 2009 HN ASP B 51 -20.168 -4.609 -5.007 1.00 10.00 B +ATOM 2010 CA ASP B 51 -22.220 -4.119 -5.231 1.00 10.00 B +ATOM 2011 CB ASP B 51 -22.524 -5.318 -4.334 1.00 10.00 B +ATOM 2012 CG ASP B 51 -22.154 -6.636 -4.967 1.00 10.00 B +ATOM 2013 OD1 ASP B 51 -22.184 -6.739 -6.213 1.00 10.00 B +ATOM 2014 OD2 ASP B 51 -21.842 -7.571 -4.206 1.00 10.00 B +ATOM 2015 C ASP B 51 -22.831 -2.883 -4.593 1.00 10.00 B +ATOM 2016 O ASP B 51 -23.905 -2.433 -4.979 1.00 10.00 B +ATOM 2017 N LEU B 52 -22.147 -2.349 -3.590 1.00 10.00 B +ATOM 2018 HN LEU B 52 -21.276 -2.735 -3.342 1.00 10.00 B +ATOM 2019 CA LEU B 52 -22.659 -1.207 -2.848 1.00 10.00 B +ATOM 2020 CB LEU B 52 -21.786 -0.942 -1.621 1.00 10.00 B +ATOM 2021 CG LEU B 52 -21.846 -2.053 -0.572 1.00 10.00 B +ATOM 2022 CD1 LEU B 52 -20.746 -1.871 0.468 1.00 10.00 B +ATOM 2023 CD2 LEU B 52 -23.230 -2.099 0.074 1.00 10.00 B +ATOM 2024 C LEU B 52 -22.731 0.022 -3.745 1.00 10.00 B +ATOM 2025 O LEU B 52 -23.688 0.795 -3.689 1.00 10.00 B +ATOM 2026 N ASN B 53 -21.720 0.199 -4.586 1.00 10.00 B +ATOM 2027 HN ASN B 53 -20.953 -0.418 -4.565 1.00 10.00 B +ATOM 2028 CA ASN B 53 -21.739 1.304 -5.535 1.00 10.00 B +ATOM 2029 CB ASN B 53 -20.383 1.448 -6.221 1.00 10.00 B +ATOM 2030 CG ASN B 53 -19.341 2.041 -5.302 1.00 10.00 B +ATOM 2031 OD1 ASN B 53 -19.667 2.842 -4.431 1.00 10.00 B +ATOM 2032 ND2 ASN B 53 -18.086 1.641 -5.481 1.00 10.00 B +ATOM 2033 HD21 ASN B 53 -17.901 0.992 -6.190 1.00 10.00 B +ATOM 2034 HD22 ASN B 53 -17.391 2.014 -4.887 1.00 10.00 B +ATOM 2035 C ASN B 53 -22.859 1.169 -6.560 1.00 10.00 B +ATOM 2036 O ASN B 53 -23.475 2.157 -6.948 1.00 10.00 B +ATOM 2037 N THR B 54 -23.122 -0.057 -6.998 1.00 10.00 B +ATOM 2038 HN THR B 54 -22.564 -0.810 -6.699 1.00 10.00 B +ATOM 2039 CA THR B 54 -24.240 -0.294 -7.905 1.00 10.00 B +ATOM 2040 CB THR B 54 -24.307 -1.760 -8.340 1.00 10.00 B +ATOM 2041 OG1 THR B 54 -23.050 -2.131 -8.914 1.00 10.00 B +ATOM 2042 HG1 THR B 54 -22.337 -1.893 -8.310 1.00 10.00 B +ATOM 2043 CG2 THR B 54 -25.415 -1.973 -9.372 1.00 10.00 B +ATOM 2044 C THR B 54 -25.547 0.121 -7.237 1.00 10.00 B +ATOM 2045 O THR B 54 -26.384 0.781 -7.848 1.00 10.00 B +ATOM 2046 N MET B 55 -25.713 -0.254 -5.971 1.00 10.00 B +ATOM 2047 HN MET B 55 -25.022 -0.803 -5.535 1.00 10.00 B +ATOM 2048 CA MET B 55 -26.902 0.131 -5.224 1.00 10.00 B +ATOM 2049 CB MET B 55 -26.864 -0.441 -3.807 1.00 10.00 B +ATOM 2050 CG MET B 55 -26.953 -1.947 -3.740 1.00 10.00 B +ATOM 2051 SD MET B 55 -26.863 -2.542 -2.040 1.00 10.00 B +ATOM 2052 CE MET B 55 -28.463 -2.029 -1.408 1.00 10.00 B +ATOM 2053 C MET B 55 -27.035 1.649 -5.160 1.00 10.00 B +ATOM 2054 O MET B 55 -28.099 2.201 -5.439 1.00 10.00 B +ATOM 2055 N LEU B 56 -25.951 2.318 -4.784 1.00 10.00 B +ATOM 2056 HN LEU B 56 -25.122 1.824 -4.585 1.00 10.00 B +ATOM 2057 CA LEU B 56 -25.967 3.769 -4.651 1.00 10.00 B +ATOM 2058 CB LEU B 56 -24.690 4.272 -3.973 1.00 10.00 B +ATOM 2059 CG LEU B 56 -24.481 3.758 -2.539 1.00 10.00 B +ATOM 2060 CD1 LEU B 56 -23.227 4.352 -1.918 1.00 10.00 B +ATOM 2061 CD2 LEU B 56 -25.702 4.046 -1.675 1.00 10.00 B +ATOM 2062 C LEU B 56 -26.194 4.469 -5.992 1.00 10.00 B +ATOM 2063 O LEU B 56 -26.864 5.498 -6.054 1.00 10.00 B +ATOM 2064 N ASN B 57 -25.653 3.906 -7.068 1.00 10.00 B +ATOM 2065 HN ASN B 57 -25.093 3.101 -6.968 1.00 10.00 B +ATOM 2066 CA ASN B 57 -25.862 4.482 -8.398 1.00 10.00 B +ATOM 2067 CB ASN B 57 -25.060 3.726 -9.461 1.00 10.00 B +ATOM 2068 CG ASN B 57 -23.564 3.922 -9.318 1.00 10.00 B +ATOM 2069 OD1 ASN B 57 -23.103 4.903 -8.729 1.00 10.00 B +ATOM 2070 ND2 ASN B 57 -22.794 2.989 -9.862 1.00 10.00 B +ATOM 2071 HD21 ASN B 57 -23.228 2.239 -10.316 1.00 10.00 B +ATOM 2072 HD22 ASN B 57 -21.823 3.091 -9.786 1.00 10.00 B +ATOM 2073 C ASN B 57 -27.336 4.527 -8.809 1.00 10.00 B +ATOM 2074 O ASN B 57 -27.782 5.485 -9.445 1.00 10.00 B +ATOM 2075 N THR B 58 -28.089 3.489 -8.448 1.00 10.00 B +ATOM 2076 HN THR B 58 -27.692 2.777 -7.901 1.00 10.00 B +ATOM 2077 CA THR B 58 -29.490 3.384 -8.858 1.00 10.00 B +ATOM 2078 CB THR B 58 -30.110 2.020 -8.475 1.00 10.00 B +ATOM 2079 OG1 THR B 58 -30.247 1.931 -7.052 1.00 10.00 B +ATOM 2080 HG1 THR B 58 -29.374 1.956 -6.634 1.00 10.00 B +ATOM 2081 CG2 THR B 58 -29.257 0.873 -8.985 1.00 10.00 B +ATOM 2082 C THR B 58 -30.358 4.493 -8.266 1.00 10.00 B +ATOM 2083 O THR B 58 -31.491 4.704 -8.702 1.00 10.00 B +ATOM 2084 N VAL B 59 -29.833 5.193 -7.263 1.00 10.00 B +ATOM 2085 HN VAL B 59 -28.937 4.963 -6.932 1.00 10.00 B +ATOM 2086 CA VAL B 59 -30.561 6.298 -6.648 1.00 10.00 B +ATOM 2087 CB VAL B 59 -30.875 6.027 -5.158 1.00 10.00 B +ATOM 2088 CG1 VAL B 59 -31.749 4.793 -5.017 1.00 10.00 B +ATOM 2089 CG2 VAL B 59 -29.590 5.874 -4.354 1.00 10.00 B +ATOM 2090 C VAL B 59 -29.794 7.612 -6.782 1.00 10.00 B +ATOM 2091 O VAL B 59 -29.899 8.496 -5.930 1.00 10.00 B +ATOM 2092 N GLY B 60 -29.028 7.736 -7.861 1.00 10.00 B +ATOM 2093 HN GLY B 60 -28.980 6.986 -8.495 1.00 10.00 B +ATOM 2094 CA GLY B 60 -28.250 8.935 -8.117 1.00 10.00 B +ATOM 2095 C GLY B 60 -29.108 10.151 -8.416 1.00 10.00 B +ATOM 2096 O GLY B 60 -28.611 11.275 -8.441 1.00 10.00 B +ATOM 2097 N GLY B 61 -30.401 9.923 -8.638 1.00 10.00 B +ATOM 2098 HN GLY B 61 -30.725 8.999 -8.605 1.00 10.00 B +ATOM 2099 CA GLY B 61 -31.338 10.993 -8.927 1.00 10.00 B +ATOM 2100 C GLY B 61 -31.473 11.988 -7.789 1.00 10.00 B +ATOM 2101 O GLY B 61 -31.721 13.171 -8.013 1.00 10.00 B +ATOM 2102 N HIS B 62 -31.317 11.500 -6.562 1.00 10.00 B +ATOM 2103 HN HIS B 62 -31.180 10.535 -6.445 1.00 10.00 B +ATOM 2104 CA HIS B 62 -31.347 12.361 -5.389 1.00 10.00 B +ATOM 2105 CB HIS B 62 -31.777 11.560 -4.156 1.00 10.00 B +ATOM 2106 CG HIS B 62 -33.083 10.847 -4.330 1.00 10.00 B +ATOM 2107 ND1 HIS B 62 -33.212 9.703 -5.091 1.00 10.00 B +ATOM 2108 CD2 HIS B 62 -34.320 11.120 -3.851 1.00 10.00 B +ATOM 2109 CE1 HIS B 62 -34.470 9.302 -5.066 1.00 10.00 B +ATOM 2110 NE2 HIS B 62 -35.161 10.144 -4.320 1.00 10.00 B +ATOM 2111 HE2 HIS B 62 -36.121 10.082 -4.132 1.00 10.00 B +ATOM 2112 C HIS B 62 -29.964 12.974 -5.193 1.00 10.00 B +ATOM 2113 O HIS B 62 -29.157 12.485 -4.400 1.00 10.00 B +ATOM 2114 N GLN B 63 -29.693 14.042 -5.935 1.00 10.00 B +ATOM 2115 HN GLN B 63 -30.417 14.460 -6.448 1.00 10.00 B +ATOM 2116 CA GLN B 63 -28.347 14.596 -6.026 1.00 10.00 B +ATOM 2117 CB GLN B 63 -28.284 15.707 -7.078 1.00 10.00 B +ATOM 2118 CG GLN B 63 -28.525 15.234 -8.500 1.00 10.00 B +ATOM 2119 CD GLN B 63 -28.519 16.381 -9.492 1.00 10.00 B +ATOM 2120 OE1 GLN B 63 -28.751 17.534 -9.125 1.00 10.00 B +ATOM 2121 NE2 GLN B 63 -28.246 16.075 -10.754 1.00 10.00 B +ATOM 2122 HE21 GLN B 63 -28.067 15.138 -10.975 1.00 10.00 B +ATOM 2123 HE22 GLN B 63 -28.235 16.800 -11.412 1.00 10.00 B +ATOM 2124 C GLN B 63 -27.803 15.110 -4.698 1.00 10.00 B +ATOM 2125 O GLN B 63 -26.641 14.885 -4.373 1.00 10.00 B +ATOM 2126 N ALA B 64 -28.632 15.810 -3.931 1.00 10.00 B +ATOM 2127 HN ALA B 64 -29.562 15.942 -4.208 1.00 10.00 B +ATOM 2128 CA ALA B 64 -28.153 16.378 -2.676 1.00 10.00 B +ATOM 2129 CB ALA B 64 -29.194 17.301 -2.073 1.00 10.00 B +ATOM 2130 C ALA B 64 -27.781 15.269 -1.693 1.00 10.00 B +ATOM 2131 O ALA B 64 -26.751 15.338 -1.018 1.00 10.00 B +ATOM 2132 N ALA B 65 -28.635 14.255 -1.611 1.00 10.00 B +ATOM 2133 HN ALA B 65 -29.447 14.268 -2.158 1.00 10.00 B +ATOM 2134 CA ALA B 65 -28.389 13.121 -0.729 1.00 10.00 B +ATOM 2135 CB ALA B 65 -29.590 12.188 -0.714 1.00 10.00 B +ATOM 2136 C ALA B 65 -27.137 12.374 -1.168 1.00 10.00 B +ATOM 2137 O ALA B 65 -26.311 11.988 -0.342 1.00 10.00 B +ATOM 2138 N MET B 66 -26.993 12.180 -2.476 1.00 10.00 B +ATOM 2139 HN MET B 66 -27.676 12.525 -3.097 1.00 10.00 B +ATOM 2140 CA MET B 66 -25.844 11.449 -3.001 1.00 10.00 B +ATOM 2141 CB MET B 66 -26.022 11.139 -4.490 1.00 10.00 B +ATOM 2142 CG MET B 66 -27.047 10.051 -4.772 1.00 10.00 B +ATOM 2143 SD MET B 66 -26.744 8.533 -3.838 1.00 10.00 B +ATOM 2144 CE MET B 66 -27.909 8.714 -2.491 1.00 10.00 B +ATOM 2145 C MET B 66 -24.528 12.177 -2.758 1.00 10.00 B +ATOM 2146 O MET B 66 -23.498 11.544 -2.527 1.00 10.00 B +ATOM 2147 N GLN B 67 -24.554 13.503 -2.811 1.00 10.00 B +ATOM 2148 HN GLN B 67 -25.390 13.967 -3.046 1.00 10.00 B +ATOM 2149 CA GLN B 67 -23.350 14.276 -2.531 1.00 10.00 B +ATOM 2150 CB GLN B 67 -23.499 15.731 -2.980 1.00 10.00 B +ATOM 2151 CG GLN B 67 -23.437 15.908 -4.486 1.00 10.00 B +ATOM 2152 CD GLN B 67 -22.179 15.309 -5.094 1.00 10.00 B +ATOM 2153 OE1 GLN B 67 -21.078 15.480 -4.565 1.00 10.00 B +ATOM 2154 NE2 GLN B 67 -22.338 14.599 -6.206 1.00 10.00 B +ATOM 2155 HE21 GLN B 67 -23.242 14.501 -6.566 1.00 10.00 B +ATOM 2156 HE22 GLN B 67 -21.542 14.219 -6.624 1.00 10.00 B +ATOM 2157 C GLN B 67 -22.990 14.192 -1.053 1.00 10.00 B +ATOM 2158 O GLN B 67 -21.814 14.083 -0.706 1.00 10.00 B +ATOM 2159 N MET B 68 -24.002 14.231 -0.189 1.00 10.00 B +ATOM 2160 HN MET B 68 -24.917 14.379 -0.519 1.00 10.00 B +ATOM 2161 CA MET B 68 -23.771 14.064 1.246 1.00 10.00 B +ATOM 2162 CB MET B 68 -25.075 14.194 2.045 1.00 10.00 B +ATOM 2163 CG MET B 68 -24.926 13.857 3.534 1.00 10.00 B +ATOM 2164 SD MET B 68 -26.386 14.209 4.556 1.00 10.00 B +ATOM 2165 CE MET B 68 -26.248 15.979 4.741 1.00 10.00 B +ATOM 2166 C MET B 68 -23.126 12.709 1.503 1.00 10.00 B +ATOM 2167 O MET B 68 -22.195 12.590 2.306 1.00 10.00 B +ATOM 2168 N LEU B 69 -23.614 11.689 0.806 1.00 10.00 B +ATOM 2169 HN LEU B 69 -24.365 11.844 0.188 1.00 10.00 B +ATOM 2170 CA LEU B 69 -23.073 10.346 0.945 1.00 10.00 B +ATOM 2171 CB LEU B 69 -23.910 9.331 0.156 1.00 10.00 B +ATOM 2172 CG LEU B 69 -24.614 8.258 0.991 1.00 10.00 B +ATOM 2173 CD1 LEU B 69 -25.379 7.302 0.092 1.00 10.00 B +ATOM 2174 CD2 LEU B 69 -23.615 7.501 1.863 1.00 10.00 B +ATOM 2175 C LEU B 69 -21.617 10.300 0.499 1.00 10.00 B +ATOM 2176 O LEU B 69 -20.759 9.771 1.211 1.00 10.00 B +ATOM 2177 N LYS B 70 -21.337 10.855 -0.676 1.00 10.00 B +ATOM 2178 HN LYS B 70 -22.058 11.276 -1.198 1.00 10.00 B +ATOM 2179 CA LYS B 70 -19.977 10.845 -1.207 1.00 10.00 B +ATOM 2180 CB LYS B 70 -19.924 11.470 -2.602 1.00 10.00 B +ATOM 2181 CG LYS B 70 -20.520 10.597 -3.693 1.00 10.00 B +ATOM 2182 CD LYS B 70 -20.452 11.274 -5.052 1.00 10.00 B +ATOM 2183 CE LYS B 70 -21.214 10.476 -6.099 1.00 10.00 B +ATOM 2184 NZ LYS B 70 -21.354 11.229 -7.377 1.00 10.00 B +ATOM 2185 HZ1 LYS B 70 -21.794 10.623 -8.100 1.00 10.00 B +ATOM 2186 HZ2 LYS B 70 -20.420 11.533 -7.717 1.00 10.00 B +ATOM 2187 HZ3 LYS B 70 -21.950 12.067 -7.233 1.00 10.00 B +ATOM 2188 C LYS B 70 -18.989 11.541 -0.272 1.00 10.00 B +ATOM 2189 O LYS B 70 -17.859 11.086 -0.104 1.00 10.00 B +ATOM 2190 N GLU B 71 -19.414 12.646 0.335 1.00 10.00 B +ATOM 2191 HN GLU B 71 -20.328 12.971 0.170 1.00 10.00 B +ATOM 2192 CA GLU B 71 -18.532 13.392 1.229 1.00 10.00 B +ATOM 2193 CB GLU B 71 -19.091 14.790 1.506 1.00 10.00 B +ATOM 2194 CG GLU B 71 -19.228 15.653 0.257 1.00 10.00 B +ATOM 2195 CD GLU B 71 -17.901 15.893 -0.447 1.00 10.00 B +ATOM 2196 OE1 GLU B 71 -16.844 15.540 0.116 1.00 10.00 B +ATOM 2197 OE2 GLU B 71 -17.919 16.443 -1.569 1.00 10.00 B +ATOM 2198 C GLU B 71 -18.282 12.640 2.536 1.00 10.00 B +ATOM 2199 O GLU B 71 -17.168 12.647 3.062 1.00 10.00 B +ATOM 2200 N THR B 72 -19.319 11.991 3.051 1.00 10.00 B +ATOM 2201 HN THR B 72 -20.199 12.071 2.619 1.00 10.00 B +ATOM 2202 CA THR B 72 -19.178 11.162 4.243 1.00 10.00 B +ATOM 2203 CB THR B 72 -20.526 10.559 4.676 1.00 10.00 B +ATOM 2204 OG1 THR B 72 -21.445 11.614 4.984 1.00 10.00 B +ATOM 2205 HG1 THR B 72 -21.820 11.959 4.162 1.00 10.00 B +ATOM 2206 CG2 THR B 72 -20.356 9.683 5.898 1.00 10.00 B +ATOM 2207 C THR B 72 -18.178 10.047 3.969 1.00 10.00 B +ATOM 2208 O THR B 72 -17.319 9.741 4.794 1.00 10.00 B +ATOM 2209 N ILE B 73 -18.288 9.451 2.790 1.00 10.00 B +ATOM 2210 HN ILE B 73 -18.997 9.738 2.170 1.00 10.00 B +ATOM 2211 CA ILE B 73 -17.385 8.382 2.395 1.00 10.00 B +ATOM 2212 CB ILE B 73 -17.842 7.755 1.074 1.00 10.00 B +ATOM 2213 CG1 ILE B 73 -19.135 6.968 1.303 1.00 10.00 B +ATOM 2214 CG2 ILE B 73 -16.755 6.868 0.492 1.00 10.00 B +ATOM 2215 CD1 ILE B 73 -19.837 6.549 0.028 1.00 10.00 B +ATOM 2216 C ILE B 73 -15.948 8.890 2.305 1.00 10.00 B +ATOM 2217 O ILE B 73 -15.015 8.226 2.757 1.00 10.00 B +ATOM 2218 N ASN B 74 -15.773 10.083 1.740 1.00 10.00 B +ATOM 2219 HN ASN B 74 -16.547 10.552 1.354 1.00 10.00 B +ATOM 2220 CA ASN B 74 -14.453 10.701 1.670 1.00 10.00 B +ATOM 2221 CB ASN B 74 -14.516 12.036 0.917 1.00 10.00 B +ATOM 2222 CG ASN B 74 -14.722 11.854 -0.571 1.00 10.00 B +ATOM 2223 OD1 ASN B 74 -14.490 10.773 -1.115 1.00 10.00 B +ATOM 2224 ND2 ASN B 74 -15.153 12.917 -1.244 1.00 10.00 B +ATOM 2225 HD21 ASN B 74 -15.315 13.752 -0.746 1.00 10.00 B +ATOM 2226 HD22 ASN B 74 -15.291 12.826 -2.208 1.00 10.00 B +ATOM 2227 C ASN B 74 -13.844 10.911 3.053 1.00 10.00 B +ATOM 2228 O ASN B 74 -12.671 10.621 3.272 1.00 10.00 B +ATOM 2229 N GLU B 75 -14.647 11.408 3.984 1.00 10.00 B +ATOM 2230 HN GLU B 75 -15.575 11.641 3.749 1.00 10.00 B +ATOM 2231 CA GLU B 75 -14.177 11.625 5.344 1.00 10.00 B +ATOM 2232 CB GLU B 75 -15.231 12.372 6.155 1.00 10.00 B +ATOM 2233 CG GLU B 75 -15.509 13.762 5.625 1.00 10.00 B +ATOM 2234 CD GLU B 75 -16.669 14.434 6.331 1.00 10.00 B +ATOM 2235 OE1 GLU B 75 -17.342 13.757 7.138 1.00 10.00 B +ATOM 2236 OE2 GLU B 75 -16.908 15.633 6.076 1.00 10.00 B +ATOM 2237 C GLU B 75 -13.798 10.318 6.031 1.00 10.00 B +ATOM 2238 O GLU B 75 -12.737 10.217 6.642 1.00 10.00 B +ATOM 2239 N GLU B 76 -14.662 9.314 5.922 1.00 10.00 B +ATOM 2240 HN GLU B 76 -15.507 9.449 5.433 1.00 10.00 B +ATOM 2241 CA GLU B 76 -14.377 8.018 6.529 1.00 10.00 B +ATOM 2242 CB GLU B 76 -15.585 7.084 6.433 1.00 10.00 B +ATOM 2243 CG GLU B 76 -16.766 7.531 7.281 1.00 10.00 B +ATOM 2244 CD GLU B 76 -16.385 7.738 8.733 1.00 10.00 B +ATOM 2245 OE1 GLU B 76 -15.848 6.792 9.349 1.00 10.00 B +ATOM 2246 OE2 GLU B 76 -16.618 8.848 9.255 1.00 10.00 B +ATOM 2247 C GLU B 76 -13.151 7.377 5.891 1.00 10.00 B +ATOM 2248 O GLU B 76 -12.339 6.759 6.579 1.00 10.00 B +ATOM 2249 N ALA B 77 -13.015 7.529 4.578 1.00 10.00 B +ATOM 2250 HN ALA B 77 -13.717 8.002 4.072 1.00 10.00 B +ATOM 2251 CA ALA B 77 -11.855 6.997 3.865 1.00 10.00 B +ATOM 2252 CB ALA B 77 -12.015 7.175 2.355 1.00 10.00 B +ATOM 2253 C ALA B 77 -10.565 7.652 4.349 1.00 10.00 B +ATOM 2254 O ALA B 77 -9.546 6.984 4.527 1.00 10.00 B +ATOM 2255 N ALA B 78 -10.608 8.965 4.559 1.00 10.00 B +ATOM 2256 HN ALA B 78 -11.439 9.457 4.368 1.00 10.00 B +ATOM 2257 CA ALA B 78 -9.444 9.686 5.061 1.00 10.00 B +ATOM 2258 CB ALA B 78 -9.714 11.178 5.086 1.00 10.00 B +ATOM 2259 C ALA B 78 -9.058 9.195 6.449 1.00 10.00 B +ATOM 2260 O ALA B 78 -7.876 9.014 6.745 1.00 10.00 B +ATOM 2261 N GLU B 79 -10.060 8.978 7.299 1.00 10.00 B +ATOM 2262 HN GLU B 79 -10.985 9.160 7.013 1.00 10.00 B +ATOM 2263 CA GLU B 79 -9.807 8.488 8.647 1.00 10.00 B +ATOM 2264 CB GLU B 79 -11.077 8.533 9.496 1.00 10.00 B +ATOM 2265 CG GLU B 79 -10.900 7.981 10.905 1.00 10.00 B +ATOM 2266 CD GLU B 79 -10.038 8.868 11.789 1.00 10.00 B +ATOM 2267 OE1 GLU B 79 -9.593 9.933 11.320 1.00 10.00 B +ATOM 2268 OE2 GLU B 79 -9.804 8.490 12.956 1.00 10.00 B +ATOM 2269 C GLU B 79 -9.244 7.072 8.599 1.00 10.00 B +ATOM 2270 O GLU B 79 -8.373 6.721 9.393 1.00 10.00 B +ATOM 2271 N TRP B 80 -9.738 6.264 7.663 1.00 10.00 B +ATOM 2272 HN TRP B 80 -10.499 6.565 7.113 1.00 10.00 B +ATOM 2273 CA TRP B 80 -9.180 4.934 7.453 1.00 10.00 B +ATOM 2274 CB TRP B 80 -9.924 4.174 6.346 1.00 10.00 B +ATOM 2275 CG TRP B 80 -9.240 2.886 6.003 1.00 10.00 B +ATOM 2276 CD1 TRP B 80 -8.254 2.704 5.074 1.00 10.00 B +ATOM 2277 CD2 TRP B 80 -9.454 1.610 6.616 1.00 10.00 B +ATOM 2278 NE1 TRP B 80 -7.851 1.392 5.062 1.00 10.00 B +ATOM 2279 HE1 TRP B 80 -7.158 1.012 4.477 1.00 10.00 B +ATOM 2280 CE2 TRP B 80 -8.574 0.697 5.997 1.00 10.00 B +ATOM 2281 CE3 TRP B 80 -10.317 1.143 7.612 1.00 10.00 B +ATOM 2282 CZ2 TRP B 80 -8.528 -0.651 6.348 1.00 10.00 B +ATOM 2283 CZ3 TRP B 80 -10.269 -0.196 7.961 1.00 10.00 B +ATOM 2284 CH2 TRP B 80 -9.383 -1.078 7.329 1.00 10.00 B +ATOM 2285 C TRP B 80 -7.700 5.050 7.099 1.00 10.00 B +ATOM 2286 O TRP B 80 -6.858 4.325 7.633 1.00 10.00 B +ATOM 2287 N ASP B 81 -7.381 5.976 6.203 1.00 10.00 B +ATOM 2288 HN ASP B 81 -8.089 6.542 5.817 1.00 10.00 B +ATOM 2289 CA ASP B 81 -6.000 6.151 5.765 1.00 10.00 B +ATOM 2290 CB ASP B 81 -5.921 7.108 4.571 1.00 10.00 B +ATOM 2291 CG ASP B 81 -6.500 6.509 3.303 1.00 10.00 B +ATOM 2292 OD1 ASP B 81 -6.573 5.266 3.199 1.00 10.00 B +ATOM 2293 OD2 ASP B 81 -6.866 7.288 2.401 1.00 10.00 B +ATOM 2294 C ASP B 81 -5.114 6.646 6.908 1.00 10.00 B +ATOM 2295 O ASP B 81 -3.932 6.312 6.983 1.00 10.00 B +ATOM 2296 N ARG B 82 -5.691 7.440 7.802 1.00 10.00 B +ATOM 2297 HN ARG B 82 -6.632 7.705 7.684 1.00 10.00 B +ATOM 2298 CA ARG B 82 -4.931 7.942 8.940 1.00 10.00 B +ATOM 2299 CB ARG B 82 -5.720 9.020 9.681 1.00 10.00 B +ATOM 2300 CG ARG B 82 -4.914 9.703 10.773 1.00 10.00 B +ATOM 2301 CD ARG B 82 -5.749 10.722 11.522 1.00 10.00 B +ATOM 2302 NE ARG B 82 -6.721 10.080 12.402 1.00 10.00 B +ATOM 2303 HE ARG B 82 -7.652 10.000 12.067 1.00 10.00 B +ATOM 2304 CZ ARG B 82 -6.435 9.603 13.609 1.00 10.00 B +ATOM 2305 NH1 ARG B 82 -5.196 9.682 14.078 1.00 10.00 B +ATOM 2306 HH11 ARG B 82 -4.477 10.100 13.524 1.00 10.00 B +ATOM 2307 HH12 ARG B 82 -4.979 9.322 14.985 1.00 10.00 B +ATOM 2308 NH2 ARG B 82 -7.382 9.038 14.343 1.00 10.00 B +ATOM 2309 HH21 ARG B 82 -8.329 8.964 13.979 1.00 10.00 B +ATOM 2310 HH22 ARG B 82 -7.171 8.680 15.252 1.00 10.00 B +ATOM 2311 C ARG B 82 -4.570 6.810 9.900 1.00 10.00 B +ATOM 2312 O ARG B 82 -3.444 6.739 10.398 1.00 10.00 B +ATOM 2313 N LEU B 83 -5.530 5.923 10.142 1.00 10.00 B +ATOM 2314 HN LEU B 83 -6.387 6.010 9.667 1.00 10.00 B +ATOM 2315 CA LEU B 83 -5.359 4.833 11.100 1.00 10.00 B +ATOM 2316 CB LEU B 83 -6.714 4.423 11.673 1.00 10.00 B +ATOM 2317 CG LEU B 83 -7.403 5.477 12.538 1.00 10.00 B +ATOM 2318 CD1 LEU B 83 -8.767 4.988 12.986 1.00 10.00 B +ATOM 2319 CD2 LEU B 83 -6.538 5.824 13.735 1.00 10.00 B +ATOM 2320 C LEU B 83 -4.672 3.612 10.501 1.00 10.00 B +ATOM 2321 O LEU B 83 -4.000 2.863 11.212 1.00 10.00 B +ATOM 2322 N HIS B 84 -4.850 3.415 9.197 1.00 10.00 B +ATOM 2323 HN HIS B 84 -5.405 4.052 8.685 1.00 10.00 B +ATOM 2324 CA HIS B 84 -4.253 2.281 8.500 1.00 10.00 B +ATOM 2325 CB HIS B 84 -5.326 1.259 8.111 1.00 10.00 B +ATOM 2326 CG HIS B 84 -6.031 0.647 9.277 1.00 10.00 B +ATOM 2327 ND1 HIS B 84 -7.241 1.109 9.753 1.00 10.00 B +ATOM 2328 HD1 HIS B 84 -7.750 1.866 9.387 1.00 10.00 B +ATOM 2329 CD2 HIS B 84 -5.689 -0.395 10.069 1.00 10.00 B +ATOM 2330 CE1 HIS B 84 -7.612 0.377 10.788 1.00 10.00 B +ATOM 2331 NE2 HIS B 84 -6.688 -0.542 10.999 1.00 10.00 B +ATOM 2332 HE2 HIS B 84 -6.713 -1.216 11.709 1.00 10.00 B +ATOM 2333 C HIS B 84 -3.489 2.725 7.255 1.00 10.00 B +ATOM 2334 O HIS B 84 -4.052 2.794 6.163 1.00 10.00 B +ATOM 2335 N PRO B 85 -2.193 3.035 7.408 1.00 10.00 B +ATOM 2336 CA PRO B 85 -1.351 3.457 6.292 1.00 10.00 B +ATOM 2337 CB PRO B 85 -0.210 4.203 6.985 1.00 10.00 B +ATOM 2338 CG PRO B 85 -0.095 3.567 8.332 1.00 10.00 B +ATOM 2339 CD PRO B 85 -1.452 3.012 8.683 1.00 10.00 B +ATOM 2340 C PRO B 85 -0.816 2.261 5.503 1.00 10.00 B +ATOM 2341 O PRO B 85 -0.083 1.427 6.039 1.00 10.00 B +ATOM 2342 N VAL B 86 -1.199 2.182 4.230 1.00 10.00 B +ATOM 2343 HN VAL B 86 -1.787 2.875 3.867 1.00 10.00 B +ATOM 2344 CA VAL B 86 -0.769 1.091 3.358 1.00 10.00 B +ATOM 2345 CB VAL B 86 -1.371 1.234 1.943 1.00 10.00 B +ATOM 2346 CG1 VAL B 86 -0.893 0.115 1.028 1.00 10.00 B +ATOM 2347 CG2 VAL B 86 -2.888 1.254 2.015 1.00 10.00 B +ATOM 2348 C VAL B 86 0.753 1.031 3.257 1.00 10.00 B +ATOM 2349 O VAL B 86 1.406 2.039 2.974 1.00 10.00 B +ATOM 2350 N HIS B 87 1.310 -0.153 3.501 1.00 10.00 B +ATOM 2351 HN HIS B 87 0.731 -0.919 3.738 1.00 10.00 B +ATOM 2352 CA HIS B 87 2.752 -0.344 3.436 1.00 10.00 B +ATOM 2353 CB HIS B 87 3.136 -1.764 3.867 1.00 10.00 B +ATOM 2354 CG HIS B 87 4.609 -2.033 3.797 1.00 10.00 B +ATOM 2355 ND1 HIS B 87 5.510 -1.519 4.706 1.00 10.00 B +ATOM 2356 HD1 HIS B 87 5.288 -0.954 5.478 1.00 10.00 B +ATOM 2357 CD2 HIS B 87 5.342 -2.739 2.901 1.00 10.00 B +ATOM 2358 CE1 HIS B 87 6.730 -1.895 4.373 1.00 10.00 B +ATOM 2359 NE2 HIS B 87 6.658 -2.634 3.282 1.00 10.00 B +ATOM 2360 HE2 HIS B 87 7.429 -3.023 2.806 1.00 10.00 B +ATOM 2361 C HIS B 87 3.298 -0.048 2.039 1.00 10.00 B +ATOM 2362 O HIS B 87 2.852 -0.629 1.051 1.00 10.00 B +ATOM 2363 N ALA B 88 4.267 0.859 1.971 1.00 10.00 B +ATOM 2364 HN ALA B 88 4.573 1.295 2.794 1.00 10.00 B +ATOM 2365 CA ALA B 88 4.887 1.220 0.704 1.00 10.00 B +ATOM 2366 CB ALA B 88 5.386 2.657 0.742 1.00 10.00 B +ATOM 2367 C ALA B 88 6.033 0.264 0.388 1.00 10.00 B +ATOM 2368 O ALA B 88 6.823 -0.088 1.271 1.00 10.00 B +ATOM 2369 N GLY B 89 6.123 -0.158 -0.866 1.00 10.00 B +ATOM 2370 HN GLY B 89 5.480 0.172 -1.537 1.00 10.00 B +ATOM 2371 CA GLY B 89 7.170 -1.078 -1.262 1.00 10.00 B +ATOM 2372 C GLY B 89 6.671 -2.164 -2.196 1.00 10.00 B +ATOM 2373 O GLY B 89 5.481 -2.223 -2.503 1.00 10.00 B +ATOM 2374 N PRO B 90 7.570 -3.046 -2.660 1.00 10.00 B +ATOM 2375 CA PRO B 90 7.214 -4.129 -3.573 1.00 10.00 B +ATOM 2376 CB PRO B 90 8.542 -4.456 -4.253 1.00 10.00 B +ATOM 2377 CG PRO B 90 9.603 -4.064 -3.276 1.00 10.00 B +ATOM 2378 CD PRO B 90 9.005 -3.050 -2.331 1.00 10.00 B +ATOM 2379 C PRO B 90 6.653 -5.357 -2.855 1.00 10.00 B +ATOM 2380 O PRO B 90 6.824 -5.522 -1.642 1.00 10.00 B +ATOM 2381 N ILE B 91 5.987 -6.219 -3.619 1.00 10.00 B +ATOM 2382 HN ILE B 91 5.900 -6.037 -4.578 1.00 10.00 B +ATOM 2383 CA ILE B 91 5.392 -7.433 -3.072 1.00 10.00 B +ATOM 2384 CB ILE B 91 3.856 -7.448 -3.243 1.00 10.00 B +ATOM 2385 CG1 ILE B 91 3.464 -7.057 -4.673 1.00 10.00 B +ATOM 2386 CG2 ILE B 91 3.194 -6.527 -2.225 1.00 10.00 B +ATOM 2387 CD1 ILE B 91 1.981 -7.164 -4.958 1.00 10.00 B +ATOM 2388 C ILE B 91 5.986 -8.675 -3.728 1.00 10.00 B +ATOM 2389 O ILE B 91 6.509 -8.611 -4.844 1.00 10.00 B +ATOM 2390 N ALA B 92 5.911 -9.801 -3.026 1.00 10.00 B +ATOM 2391 HN ALA B 92 5.484 -9.786 -2.141 1.00 10.00 B +ATOM 2392 CA ALA B 92 6.439 -11.061 -3.534 1.00 10.00 B +ATOM 2393 CB ALA B 92 7.006 -11.888 -2.388 1.00 10.00 B +ATOM 2394 C ALA B 92 5.355 -11.843 -4.271 1.00 10.00 B +ATOM 2395 O ALA B 92 4.168 -11.684 -3.981 1.00 10.00 B +ATOM 2396 N PRO B 93 5.750 -12.690 -5.243 1.00 10.00 B +ATOM 2397 CA PRO B 93 4.804 -13.503 -6.020 1.00 10.00 B +ATOM 2398 CB PRO B 93 5.714 -14.430 -6.831 1.00 10.00 B +ATOM 2399 CG PRO B 93 6.990 -13.675 -6.955 1.00 10.00 B +ATOM 2400 CD PRO B 93 7.143 -12.914 -5.669 1.00 10.00 B +ATOM 2401 C PRO B 93 3.880 -14.321 -5.122 1.00 10.00 B +ATOM 2402 O PRO B 93 4.320 -15.238 -4.426 1.00 10.00 B +ATOM 2403 N GLY B 94 2.601 -13.968 -5.135 1.00 10.00 B +ATOM 2404 HN GLY B 94 2.315 -13.225 -5.706 1.00 10.00 B +ATOM 2405 CA GLY B 94 1.629 -14.662 -4.316 1.00 10.00 B +ATOM 2406 C GLY B 94 1.023 -13.749 -3.270 1.00 10.00 B +ATOM 2407 O GLY B 94 0.017 -14.085 -2.647 1.00 10.00 B +ATOM 2408 N GLN B 95 1.647 -12.592 -3.070 1.00 10.00 B +ATOM 2409 HN GLN B 95 2.458 -12.386 -3.592 1.00 10.00 B +ATOM 2410 CA GLN B 95 1.163 -11.618 -2.099 1.00 10.00 B +ATOM 2411 CB GLN B 95 2.326 -11.040 -1.286 1.00 10.00 B +ATOM 2412 CG GLN B 95 3.145 -12.082 -0.540 1.00 10.00 B +ATOM 2413 CD GLN B 95 4.267 -11.475 0.282 1.00 10.00 B +ATOM 2414 OE1 GLN B 95 4.801 -10.413 -0.051 1.00 10.00 B +ATOM 2415 NE2 GLN B 95 4.637 -12.151 1.361 1.00 10.00 B +ATOM 2416 HE21 GLN B 95 4.170 -12.986 1.566 1.00 10.00 B +ATOM 2417 HE22 GLN B 95 5.364 -11.787 1.906 1.00 10.00 B +ATOM 2418 C GLN B 95 0.408 -10.494 -2.799 1.00 10.00 B +ATOM 2419 O GLN B 95 0.739 -10.123 -3.925 1.00 10.00 B +ATOM 2420 N MET B 96 -0.606 -9.955 -2.130 1.00 10.00 B +ATOM 2421 HN MET B 96 -0.817 -10.284 -1.233 1.00 10.00 B +ATOM 2422 CA MET B 96 -1.400 -8.873 -2.695 1.00 10.00 B +ATOM 2423 CB MET B 96 -2.880 -9.257 -2.786 1.00 10.00 B +ATOM 2424 CG MET B 96 -3.603 -9.323 -1.461 1.00 10.00 B +ATOM 2425 SD MET B 96 -5.350 -9.748 -1.653 1.00 10.00 B +ATOM 2426 CE MET B 96 -5.890 -8.508 -2.831 1.00 10.00 B +ATOM 2427 C MET B 96 -1.221 -7.586 -1.898 1.00 10.00 B +ATOM 2428 O MET B 96 -0.773 -7.612 -0.751 1.00 10.00 B +ATOM 2429 N ARG B 97 -1.561 -6.464 -2.520 1.00 10.00 B +ATOM 2430 HN ARG B 97 -1.920 -6.511 -3.430 1.00 10.00 B +ATOM 2431 CA ARG B 97 -1.418 -5.165 -1.879 1.00 10.00 B +ATOM 2432 CB ARG B 97 -1.573 -4.047 -2.904 1.00 10.00 B +ATOM 2433 CG ARG B 97 -2.984 -3.869 -3.420 1.00 10.00 B +ATOM 2434 CD ARG B 97 -3.026 -2.866 -4.558 1.00 10.00 B +ATOM 2435 NE ARG B 97 -4.391 -2.607 -4.996 1.00 10.00 B +ATOM 2436 HE ARG B 97 -4.772 -3.217 -5.694 1.00 10.00 B +ATOM 2437 CZ ARG B 97 -5.147 -1.625 -4.521 1.00 10.00 B +ATOM 2438 NH1 ARG B 97 -4.663 -0.810 -3.593 1.00 10.00 B +ATOM 2439 HH11 ARG B 97 -5.244 -0.067 -3.214 1.00 10.00 B +ATOM 2440 HH12 ARG B 97 -3.732 -0.932 -3.253 1.00 10.00 B +ATOM 2441 NH2 ARG B 97 -6.384 -1.460 -4.971 1.00 10.00 B +ATOM 2442 HH21 ARG B 97 -6.959 -0.706 -4.614 1.00 10.00 B +ATOM 2443 HH22 ARG B 97 -6.753 -2.084 -5.681 1.00 10.00 B +ATOM 2444 C ARG B 97 -2.422 -4.970 -0.747 1.00 10.00 B +ATOM 2445 O ARG B 97 -3.409 -5.695 -0.648 1.00 10.00 B +ATOM 2446 N GLU B 98 -2.152 -3.984 0.106 1.00 10.00 B +ATOM 2447 HN GLU B 98 -1.327 -3.469 -0.009 1.00 10.00 B +ATOM 2448 CA GLU B 98 -3.051 -3.642 1.205 1.00 10.00 B +ATOM 2449 CB GLU B 98 -2.243 -3.177 2.421 1.00 10.00 B +ATOM 2450 CG GLU B 98 -1.322 -4.242 2.990 1.00 10.00 B +ATOM 2451 CD GLU B 98 -0.309 -3.673 3.961 1.00 10.00 B +ATOM 2452 OE1 GLU B 98 -0.525 -2.542 4.449 1.00 10.00 B +ATOM 2453 OE2 GLU B 98 0.701 -4.354 4.234 1.00 10.00 B +ATOM 2454 C GLU B 98 -4.031 -2.553 0.764 1.00 10.00 B +ATOM 2455 O GLU B 98 -3.676 -1.675 -0.022 1.00 10.00 B +ATOM 2456 N PRO B 99 -5.290 -2.631 1.217 1.00 10.00 B +ATOM 2457 CA PRO B 99 -6.334 -1.681 0.824 1.00 10.00 B +ATOM 2458 CB PRO B 99 -7.616 -2.454 1.127 1.00 10.00 B +ATOM 2459 CG PRO B 99 -7.260 -3.314 2.290 1.00 10.00 B +ATOM 2460 CD PRO B 99 -5.801 -3.661 2.137 1.00 10.00 B +ATOM 2461 C PRO B 99 -6.345 -0.367 1.597 1.00 10.00 B +ATOM 2462 O PRO B 99 -6.243 -0.345 2.829 1.00 10.00 B +ATOM 2463 N ARG B 100 -6.470 0.725 0.855 1.00 10.00 B +ATOM 2464 HN ARG B 100 -6.492 0.638 -0.130 1.00 10.00 B +ATOM 2465 CA ARG B 100 -6.569 2.049 1.452 1.00 10.00 B +ATOM 2466 CB ARG B 100 -5.735 3.086 0.688 1.00 10.00 B +ATOM 2467 CG ARG B 100 -6.132 3.271 -0.766 1.00 10.00 B +ATOM 2468 CD ARG B 100 -5.059 4.016 -1.542 1.00 10.00 B +ATOM 2469 NE ARG B 100 -5.088 3.670 -2.963 1.00 10.00 B +ATOM 2470 HE ARG B 100 -5.751 3.002 -3.249 1.00 10.00 B +ATOM 2471 CZ ARG B 100 -4.272 4.198 -3.872 1.00 10.00 B +ATOM 2472 NH1 ARG B 100 -3.362 5.097 -3.507 1.00 10.00 B +ATOM 2473 HH11 ARG B 100 -2.745 5.496 -4.185 1.00 10.00 B +ATOM 2474 HH12 ARG B 100 -3.293 5.377 -2.547 1.00 10.00 B +ATOM 2475 NH2 ARG B 100 -4.363 3.822 -5.145 1.00 10.00 B +ATOM 2476 HH21 ARG B 100 -3.751 4.218 -5.832 1.00 10.00 B +ATOM 2477 HH22 ARG B 100 -5.044 3.142 -5.420 1.00 10.00 B +ATOM 2478 C ARG B 100 -8.045 2.440 1.485 1.00 10.00 B +ATOM 2479 O ARG B 100 -8.900 1.654 1.063 1.00 10.00 B +ATOM 2480 N GLY B 101 -8.346 3.632 1.971 1.00 10.00 B +ATOM 2481 HN GLY B 101 -7.616 4.227 2.295 1.00 10.00 B +ATOM 2482 CA GLY B 101 -9.725 4.073 2.061 1.00 10.00 B +ATOM 2483 C GLY B 101 -10.454 4.018 0.730 1.00 10.00 B +ATOM 2484 O GLY B 101 -11.573 3.509 0.648 1.00 10.00 B +ATOM 2485 N SER B 102 -9.818 4.543 -0.315 1.00 10.00 B +ATOM 2486 HN SER B 102 -8.917 4.910 -0.193 1.00 10.00 B +ATOM 2487 CA SER B 102 -10.435 4.597 -1.636 1.00 10.00 B +ATOM 2488 CB SER B 102 -9.638 5.524 -2.562 1.00 10.00 B +ATOM 2489 OG SER B 102 -8.298 5.088 -2.681 1.00 10.00 B +ATOM 2490 HG SER B 102 -8.238 4.447 -3.408 1.00 10.00 B +ATOM 2491 C SER B 102 -10.586 3.208 -2.257 1.00 10.00 B +ATOM 2492 O SER B 102 -11.404 3.008 -3.152 1.00 10.00 B +ATOM 2493 N ASP B 103 -9.799 2.254 -1.769 1.00 10.00 B +ATOM 2494 HN ASP B 103 -9.123 2.496 -1.102 1.00 10.00 B +ATOM 2495 CA ASP B 103 -9.918 0.860 -2.183 1.00 10.00 B +ATOM 2496 CB ASP B 103 -8.670 0.069 -1.785 1.00 10.00 B +ATOM 2497 CG ASP B 103 -7.450 0.447 -2.608 1.00 10.00 B +ATOM 2498 OD1 ASP B 103 -7.612 0.732 -3.816 1.00 10.00 B +ATOM 2499 OD2 ASP B 103 -6.331 0.452 -2.048 1.00 10.00 B +ATOM 2500 C ASP B 103 -11.153 0.231 -1.550 1.00 10.00 B +ATOM 2501 O ASP B 103 -11.888 -0.519 -2.195 1.00 10.00 B +ATOM 2502 N ILE B 104 -11.383 0.544 -0.282 1.00 10.00 B +ATOM 2503 HN ILE B 104 -10.737 1.111 0.199 1.00 10.00 B +ATOM 2504 CA ILE B 104 -12.564 0.059 0.415 1.00 10.00 B +ATOM 2505 CB ILE B 104 -12.498 0.406 1.921 1.00 10.00 B +ATOM 2506 CG1 ILE B 104 -11.397 -0.425 2.589 1.00 10.00 B +ATOM 2507 CG2 ILE B 104 -13.857 0.180 2.592 1.00 10.00 B +ATOM 2508 CD1 ILE B 104 -11.042 0.008 3.995 1.00 10.00 B +ATOM 2509 C ILE B 104 -13.842 0.599 -0.230 1.00 10.00 B +ATOM 2510 O ILE B 104 -14.843 -0.115 -0.342 1.00 10.00 B +ATOM 2511 N ALA B 105 -13.801 1.852 -0.675 1.00 10.00 B +ATOM 2512 HN ALA B 105 -12.979 2.377 -0.550 1.00 10.00 B +ATOM 2513 CA ALA B 105 -14.952 2.473 -1.319 1.00 10.00 B +ATOM 2514 CB ALA B 105 -14.854 3.991 -1.254 1.00 10.00 B +ATOM 2515 C ALA B 105 -15.118 2.014 -2.764 1.00 10.00 B +ATOM 2516 O ALA B 105 -16.065 2.411 -3.440 1.00 10.00 B +ATOM 2517 N GLY B 106 -14.189 1.183 -3.231 1.00 10.00 B +ATOM 2518 HN GLY B 106 -13.427 0.952 -2.655 1.00 10.00 B +ATOM 2519 CA GLY B 106 -14.277 0.605 -4.560 1.00 10.00 B +ATOM 2520 C GLY B 106 -13.885 1.573 -5.658 1.00 10.00 B +ATOM 2521 O GLY B 106 -14.059 1.285 -6.841 1.00 10.00 B +ATOM 2522 N THR B 107 -13.345 2.721 -5.267 1.00 10.00 B +ATOM 2523 HN THR B 107 -13.186 2.872 -4.310 1.00 10.00 B +ATOM 2524 CA THR B 107 -12.971 3.764 -6.221 1.00 10.00 B +ATOM 2525 CB THR B 107 -12.789 5.122 -5.508 1.00 10.00 B +ATOM 2526 OG1 THR B 107 -13.979 5.445 -4.781 1.00 10.00 B +ATOM 2527 HG1 THR B 107 -14.692 4.860 -5.055 1.00 10.00 B +ATOM 2528 CG2 THR B 107 -12.494 6.226 -6.517 1.00 10.00 B +ATOM 2529 C THR B 107 -11.674 3.437 -6.947 1.00 10.00 B +ATOM 2530 O THR B 107 -11.528 3.700 -8.143 1.00 10.00 B +ATOM 2531 N THR B 108 -10.726 2.866 -6.213 1.00 10.00 B +ATOM 2532 HN THR B 108 -10.925 2.620 -5.283 1.00 10.00 B +ATOM 2533 CA THR B 108 -9.394 2.615 -6.744 1.00 10.00 B +ATOM 2534 CB THR B 108 -8.337 3.384 -5.940 1.00 10.00 B +ATOM 2535 OG1 THR B 108 -8.487 3.074 -4.552 1.00 10.00 B +ATOM 2536 HG1 THR B 108 -8.190 2.152 -4.387 1.00 10.00 B +ATOM 2537 CG2 THR B 108 -8.515 4.882 -6.129 1.00 10.00 B +ATOM 2538 C THR B 108 -9.051 1.132 -6.716 1.00 10.00 B +ATOM 2539 O THR B 108 -7.894 0.751 -6.909 1.00 10.00 B +ATOM 2540 N SER B 109 -10.048 0.294 -6.463 1.00 10.00 B +ATOM 2541 HN SER B 109 -10.949 0.645 -6.310 1.00 10.00 B +ATOM 2542 CA SER B 109 -9.822 -1.147 -6.425 1.00 10.00 B +ATOM 2543 CB SER B 109 -10.138 -1.700 -5.036 1.00 10.00 B +ATOM 2544 OG SER B 109 -11.514 -1.540 -4.737 1.00 10.00 B +ATOM 2545 HG SER B 109 -11.620 -1.357 -3.792 1.00 10.00 B +ATOM 2546 C SER B 109 -10.666 -1.869 -7.470 1.00 10.00 B +ATOM 2547 O SER B 109 -11.741 -1.403 -7.842 1.00 10.00 B +ATOM 2548 N THR B 110 -10.166 -3.008 -7.941 1.00 10.00 B +ATOM 2549 HN THR B 110 -9.265 -3.290 -7.660 1.00 10.00 B +ATOM 2550 CA THR B 110 -10.919 -3.848 -8.861 1.00 10.00 B +ATOM 2551 CB THR B 110 -9.987 -4.669 -9.771 1.00 10.00 B +ATOM 2552 OG1 THR B 110 -9.270 -5.634 -8.986 1.00 10.00 B +ATOM 2553 HG1 THR B 110 -8.330 -5.568 -9.179 1.00 10.00 B +ATOM 2554 CG2 THR B 110 -8.998 -3.763 -10.479 1.00 10.00 B +ATOM 2555 C THR B 110 -11.796 -4.816 -8.082 1.00 10.00 B +ATOM 2556 O THR B 110 -11.583 -5.030 -6.889 1.00 10.00 B +ATOM 2557 N LEU B 111 -12.772 -5.406 -8.763 1.00 10.00 B +ATOM 2558 HN LEU B 111 -12.931 -5.147 -9.694 1.00 10.00 B +ATOM 2559 CA LEU B 111 -13.616 -6.422 -8.153 1.00 10.00 B +ATOM 2560 CB LEU B 111 -14.682 -6.899 -9.141 1.00 10.00 B +ATOM 2561 CG LEU B 111 -15.543 -8.090 -8.726 1.00 10.00 B +ATOM 2562 CD1 LEU B 111 -16.302 -7.805 -7.437 1.00 10.00 B +ATOM 2563 CD2 LEU B 111 -16.506 -8.453 -9.854 1.00 10.00 B +ATOM 2564 C LEU B 111 -12.766 -7.599 -7.685 1.00 10.00 B +ATOM 2565 O LEU B 111 -12.979 -8.141 -6.605 1.00 10.00 B +ATOM 2566 N GLN B 112 -11.791 -7.992 -8.499 1.00 10.00 B +ATOM 2567 HN GLN B 112 -11.650 -7.526 -9.348 1.00 10.00 B +ATOM 2568 CA GLN B 112 -10.926 -9.104 -8.129 1.00 10.00 B +ATOM 2569 CB GLN B 112 -9.984 -9.465 -9.280 1.00 10.00 B +ATOM 2570 CG GLN B 112 -10.713 -10.060 -10.485 1.00 10.00 B +ATOM 2571 CD GLN B 112 -11.621 -11.223 -10.111 1.00 10.00 B +ATOM 2572 OE1 GLN B 112 -11.249 -12.090 -9.317 1.00 10.00 B +ATOM 2573 NE2 GLN B 112 -12.824 -11.241 -10.681 1.00 10.00 B +ATOM 2574 HE21 GLN B 112 -13.055 -10.517 -11.299 1.00 10.00 B +ATOM 2575 HE22 GLN B 112 -13.426 -11.980 -10.460 1.00 10.00 B +ATOM 2576 C GLN B 112 -10.136 -8.816 -6.854 1.00 10.00 B +ATOM 2577 O GLN B 112 -9.903 -9.715 -6.046 1.00 10.00 B +ATOM 2578 N GLU B 113 -9.728 -7.565 -6.679 1.00 10.00 B +ATOM 2579 HN GLU B 113 -9.909 -6.895 -7.377 1.00 10.00 B +ATOM 2580 CA GLU B 113 -9.004 -7.168 -5.477 1.00 10.00 B +ATOM 2581 CB GLU B 113 -8.377 -5.783 -5.646 1.00 10.00 B +ATOM 2582 CG GLU B 113 -7.166 -5.776 -6.577 1.00 10.00 B +ATOM 2583 CD GLU B 113 -6.520 -4.410 -6.717 1.00 10.00 B +ATOM 2584 OE1 GLU B 113 -7.246 -3.405 -6.866 1.00 10.00 B +ATOM 2585 OE2 GLU B 113 -5.276 -4.342 -6.681 1.00 10.00 B +ATOM 2586 C GLU B 113 -9.947 -7.197 -4.281 1.00 10.00 B +ATOM 2587 O GLU B 113 -9.578 -7.654 -3.200 1.00 10.00 B +ATOM 2588 N GLN B 114 -11.171 -6.723 -4.487 1.00 10.00 B +ATOM 2589 HN GLN B 114 -11.401 -6.348 -5.367 1.00 10.00 B +ATOM 2590 CA GLN B 114 -12.176 -6.748 -3.431 1.00 10.00 B +ATOM 2591 CB GLN B 114 -13.453 -6.055 -3.895 1.00 10.00 B +ATOM 2592 CG GLN B 114 -13.254 -4.578 -4.196 1.00 10.00 B +ATOM 2593 CD GLN B 114 -14.411 -3.985 -4.961 1.00 10.00 B +ATOM 2594 OE1 GLN B 114 -15.514 -4.524 -4.944 1.00 10.00 B +ATOM 2595 NE2 GLN B 114 -14.162 -2.878 -5.652 1.00 10.00 B +ATOM 2596 HE21 GLN B 114 -13.248 -2.510 -5.627 1.00 10.00 B +ATOM 2597 HE22 GLN B 114 -14.893 -2.474 -6.159 1.00 10.00 B +ATOM 2598 C GLN B 114 -12.457 -8.170 -2.957 1.00 10.00 B +ATOM 2599 O GLN B 114 -12.423 -8.455 -1.758 1.00 10.00 B +ATOM 2600 N ILE B 115 -12.713 -9.069 -3.898 1.00 10.00 B +ATOM 2601 HN ILE B 115 -12.788 -8.780 -4.837 1.00 10.00 B +ATOM 2602 CA ILE B 115 -12.882 -10.474 -3.565 1.00 10.00 B +ATOM 2603 CB ILE B 115 -13.168 -11.298 -4.827 1.00 10.00 B +ATOM 2604 CG1 ILE B 115 -14.485 -10.834 -5.460 1.00 10.00 B +ATOM 2605 CG2 ILE B 115 -13.213 -12.781 -4.496 1.00 10.00 B +ATOM 2606 CD1 ILE B 115 -14.753 -11.425 -6.833 1.00 10.00 B +ATOM 2607 C ILE B 115 -11.634 -11.001 -2.855 1.00 10.00 B +ATOM 2608 O ILE B 115 -11.725 -11.723 -1.859 1.00 10.00 B +ATOM 2609 N GLY B 116 -10.465 -10.628 -3.363 1.00 10.00 B +ATOM 2610 HN GLY B 116 -10.453 -10.070 -4.173 1.00 10.00 B +ATOM 2611 CA GLY B 116 -9.212 -11.032 -2.757 1.00 10.00 B +ATOM 2612 C GLY B 116 -9.112 -10.670 -1.286 1.00 10.00 B +ATOM 2613 O GLY B 116 -8.759 -11.512 -0.462 1.00 10.00 B +ATOM 2614 N TRP B 117 -9.417 -9.421 -0.949 1.00 10.00 B +ATOM 2615 HN TRP B 117 -9.693 -8.786 -1.650 1.00 10.00 B +ATOM 2616 CA TRP B 117 -9.333 -8.971 0.440 1.00 10.00 B +ATOM 2617 CB TRP B 117 -9.518 -7.453 0.548 1.00 10.00 B +ATOM 2618 CG TRP B 117 -8.418 -6.651 -0.068 1.00 10.00 B +ATOM 2619 CD1 TRP B 117 -7.075 -6.842 0.093 1.00 10.00 B +ATOM 2620 CD2 TRP B 117 -8.563 -5.517 -0.933 1.00 10.00 B +ATOM 2621 NE1 TRP B 117 -6.375 -5.900 -0.627 1.00 10.00 B +ATOM 2622 HE1 TRP B 117 -5.392 -5.832 -0.677 1.00 10.00 B +ATOM 2623 CE2 TRP B 117 -7.265 -5.080 -1.271 1.00 10.00 B +ATOM 2624 CE3 TRP B 117 -9.664 -4.836 -1.466 1.00 10.00 B +ATOM 2625 CZ2 TRP B 117 -7.039 -3.990 -2.111 1.00 10.00 B +ATOM 2626 CZ3 TRP B 117 -9.436 -3.754 -2.303 1.00 10.00 B +ATOM 2627 CH2 TRP B 117 -8.131 -3.340 -2.613 1.00 10.00 B +ATOM 2628 C TRP B 117 -10.357 -9.682 1.322 1.00 10.00 B +ATOM 2629 O TRP B 117 -10.045 -10.107 2.432 1.00 10.00 B +ATOM 2630 N MET B 118 -11.581 -9.807 0.818 1.00 10.00 B +ATOM 2631 HN MET B 118 -11.759 -9.486 -0.095 1.00 10.00 B +ATOM 2632 CA MET B 118 -12.664 -10.413 1.587 1.00 10.00 B +ATOM 2633 CB MET B 118 -14.001 -10.247 0.853 1.00 10.00 B +ATOM 2634 CG MET B 118 -14.425 -8.790 0.694 1.00 10.00 B +ATOM 2635 SD MET B 118 -15.746 -8.516 -0.499 1.00 10.00 B +ATOM 2636 CE MET B 118 -17.140 -9.309 0.297 1.00 10.00 B +ATOM 2637 C MET B 118 -12.410 -11.885 1.901 1.00 10.00 B +ATOM 2638 O MET B 118 -12.920 -12.404 2.895 1.00 10.00 B +ATOM 2639 N THR B 119 -11.613 -12.550 1.064 1.00 10.00 B +ATOM 2640 HN THR B 119 -11.197 -12.069 0.314 1.00 10.00 B +ATOM 2641 CA THR B 119 -11.359 -13.986 1.215 1.00 10.00 B +ATOM 2642 CB THR B 119 -11.726 -14.763 -0.066 1.00 10.00 B +ATOM 2643 OG1 THR B 119 -10.940 -14.281 -1.165 1.00 10.00 B +ATOM 2644 HG1 THR B 119 -10.070 -14.687 -1.139 1.00 10.00 B +ATOM 2645 CG2 THR B 119 -13.203 -14.597 -0.387 1.00 10.00 B +ATOM 2646 C THR B 119 -9.910 -14.322 1.575 1.00 10.00 B +ATOM 2647 O THR B 119 -9.529 -15.491 1.602 1.00 10.00 B +ATOM 2648 N HIS B 120 -9.112 -13.294 1.846 1.00 10.00 B +ATOM 2649 HN HIS B 120 -9.484 -12.386 1.802 1.00 10.00 B +ATOM 2650 CA HIS B 120 -7.703 -13.461 2.205 1.00 10.00 B +ATOM 2651 CB HIS B 120 -7.016 -12.087 2.219 1.00 10.00 B +ATOM 2652 CG HIS B 120 -5.524 -12.147 2.349 1.00 10.00 B +ATOM 2653 ND1 HIS B 120 -4.880 -12.094 3.566 1.00 10.00 B +ATOM 2654 HD1 HIS B 120 -5.321 -12.002 4.448 1.00 10.00 B +ATOM 2655 CD2 HIS B 120 -4.551 -12.228 1.413 1.00 10.00 B +ATOM 2656 CE1 HIS B 120 -3.573 -12.154 3.374 1.00 10.00 B +ATOM 2657 NE2 HIS B 120 -3.348 -12.233 2.076 1.00 10.00 B +ATOM 2658 HE2 HIS B 120 -2.465 -12.284 1.656 1.00 10.00 B +ATOM 2659 C HIS B 120 -7.536 -14.142 3.566 1.00 10.00 B +ATOM 2660 O HIS B 120 -8.431 -14.095 4.412 1.00 10.00 B +ATOM 2661 N ASN B 121 -6.385 -14.776 3.775 1.00 10.00 B +ATOM 2662 HN ASN B 121 -5.750 -14.874 3.037 1.00 10.00 B +ATOM 2663 CA ASN B 121 -6.053 -15.341 5.077 1.00 10.00 B +ATOM 2664 CB ASN B 121 -5.687 -16.823 4.940 1.00 10.00 B +ATOM 2665 CG ASN B 121 -6.836 -17.660 4.412 1.00 10.00 B +ATOM 2666 OD1 ASN B 121 -6.809 -18.126 3.272 1.00 10.00 B +ATOM 2667 ND2 ASN B 121 -7.850 -17.863 5.242 1.00 10.00 B +ATOM 2668 HD21 ASN B 121 -7.804 -17.469 6.137 1.00 10.00 B +ATOM 2669 HD22 ASN B 121 -8.607 -18.398 4.923 1.00 10.00 B +ATOM 2670 C ASN B 121 -4.891 -14.582 5.705 1.00 10.00 B +ATOM 2671 O ASN B 121 -3.738 -14.810 5.345 1.00 10.00 B +ATOM 2672 N PRO B 122 -5.181 -13.674 6.651 1.00 10.00 B +ATOM 2673 CA PRO B 122 -6.497 -13.322 7.190 1.00 10.00 B +ATOM 2674 CB PRO B 122 -6.153 -12.781 8.575 1.00 10.00 B +ATOM 2675 CG PRO B 122 -4.827 -12.139 8.379 1.00 10.00 B +ATOM 2676 CD PRO B 122 -4.096 -12.967 7.358 1.00 10.00 B +ATOM 2677 C PRO B 122 -7.206 -12.241 6.370 1.00 10.00 B +ATOM 2678 O PRO B 122 -6.558 -11.498 5.631 1.00 10.00 B +ATOM 2679 N PRO B 123 -8.538 -12.145 6.509 1.00 10.00 B +ATOM 2680 CA PRO B 123 -9.333 -11.275 5.642 1.00 10.00 B +ATOM 2681 CB PRO B 123 -10.718 -11.919 5.706 1.00 10.00 B +ATOM 2682 CG PRO B 123 -10.788 -12.461 7.088 1.00 10.00 B +ATOM 2683 CD PRO B 123 -9.386 -12.934 7.418 1.00 10.00 B +ATOM 2684 C PRO B 123 -9.438 -9.833 6.121 1.00 10.00 B +ATOM 2685 O PRO B 123 -9.255 -9.538 7.302 1.00 10.00 B +ATOM 2686 N ILE B 124 -9.743 -8.942 5.186 1.00 10.00 B +ATOM 2687 HN ILE B 124 -9.680 -9.208 4.240 1.00 10.00 B +ATOM 2688 CA ILE B 124 -10.188 -7.595 5.503 1.00 10.00 B +ATOM 2689 CB ILE B 124 -9.237 -6.543 4.932 1.00 10.00 B +ATOM 2690 CG1 ILE B 124 -7.854 -6.668 5.585 1.00 10.00 B +ATOM 2691 CG2 ILE B 124 -9.797 -5.138 5.144 1.00 10.00 B +ATOM 2692 CD1 ILE B 124 -6.829 -5.719 5.010 1.00 10.00 B +ATOM 2693 C ILE B 124 -11.553 -7.451 4.846 1.00 10.00 B +ATOM 2694 O ILE B 124 -11.650 -7.432 3.617 1.00 10.00 B +ATOM 2695 N PRO B 125 -12.617 -7.386 5.657 1.00 10.00 B +ATOM 2696 CA PRO B 125 -13.974 -7.432 5.095 1.00 10.00 B +ATOM 2697 CB PRO B 125 -14.839 -7.726 6.321 1.00 10.00 B +ATOM 2698 CG PRO B 125 -14.085 -7.084 7.458 1.00 10.00 B +ATOM 2699 CD PRO B 125 -12.621 -7.268 7.127 1.00 10.00 B +ATOM 2700 C PRO B 125 -14.353 -6.096 4.482 1.00 10.00 B +ATOM 2701 O PRO B 125 -15.153 -5.359 5.057 1.00 10.00 B +ATOM 2702 N VAL B 126 -13.786 -5.782 3.318 1.00 10.00 B +ATOM 2703 HN VAL B 126 -13.241 -6.453 2.847 1.00 10.00 B +ATOM 2704 CA VAL B 126 -13.932 -4.440 2.755 1.00 10.00 B +ATOM 2705 CB VAL B 126 -13.038 -4.234 1.514 1.00 10.00 B +ATOM 2706 CG1 VAL B 126 -11.554 -4.288 1.904 1.00 10.00 B +ATOM 2707 CG2 VAL B 126 -13.361 -5.262 0.437 1.00 10.00 B +ATOM 2708 C VAL B 126 -15.392 -4.056 2.459 1.00 10.00 B +ATOM 2709 O VAL B 126 -15.767 -2.884 2.554 1.00 10.00 B +ATOM 2710 N GLY B 127 -16.209 -5.043 2.108 1.00 10.00 B +ATOM 2711 HN GLY B 127 -15.845 -5.945 1.996 1.00 10.00 B +ATOM 2712 CA GLY B 127 -17.623 -4.804 1.887 1.00 10.00 B +ATOM 2713 C GLY B 127 -18.310 -4.348 3.162 1.00 10.00 B +ATOM 2714 O GLY B 127 -19.094 -3.392 3.154 1.00 10.00 B +ATOM 2715 N GLU B 128 -18.016 -5.031 4.261 1.00 10.00 B +ATOM 2716 HN GLU B 128 -17.368 -5.763 4.213 1.00 10.00 B +ATOM 2717 CA GLU B 128 -18.640 -4.704 5.546 1.00 10.00 B +ATOM 2718 CB GLU B 128 -18.346 -5.790 6.586 1.00 10.00 B +ATOM 2719 CG GLU B 128 -19.041 -7.097 6.285 1.00 10.00 B +ATOM 2720 CD GLU B 128 -20.525 -6.909 6.046 1.00 10.00 B +ATOM 2721 OE1 GLU B 128 -21.214 -6.390 6.955 1.00 10.00 B +ATOM 2722 OE2 GLU B 128 -21.002 -7.260 4.949 1.00 10.00 B +ATOM 2723 C GLU B 128 -18.191 -3.343 6.057 1.00 10.00 B +ATOM 2724 O GLU B 128 -18.985 -2.586 6.618 1.00 10.00 B +ATOM 2725 N ILE B 129 -16.914 -3.039 5.858 1.00 10.00 B +ATOM 2726 HN ILE B 129 -16.326 -3.701 5.428 1.00 10.00 B +ATOM 2727 CA ILE B 129 -16.362 -1.755 6.266 1.00 10.00 B +ATOM 2728 CB ILE B 129 -14.819 -1.732 6.129 1.00 10.00 B +ATOM 2729 CG1 ILE B 129 -14.197 -2.766 7.067 1.00 10.00 B +ATOM 2730 CG2 ILE B 129 -14.271 -0.345 6.441 1.00 10.00 B +ATOM 2731 CD1 ILE B 129 -12.741 -3.090 6.758 1.00 10.00 B +ATOM 2732 C ILE B 129 -16.999 -0.616 5.467 1.00 10.00 B +ATOM 2733 O ILE B 129 -17.423 0.386 6.034 1.00 10.00 B +ATOM 2734 N TYR B 130 -17.075 -0.777 4.149 1.00 10.00 B +ATOM 2735 HN TYR B 130 -16.711 -1.597 3.740 1.00 10.00 B +ATOM 2736 CA TYR B 130 -17.683 0.238 3.298 1.00 10.00 B +ATOM 2737 CB TYR B 130 -17.550 -0.167 1.829 1.00 10.00 B +ATOM 2738 CG TYR B 130 -17.918 0.907 0.829 1.00 10.00 B +ATOM 2739 CD1 TYR B 130 -17.793 2.257 1.139 1.00 10.00 B +ATOM 2740 CD2 TYR B 130 -18.384 0.564 -0.437 1.00 10.00 B +ATOM 2741 CE1 TYR B 130 -18.128 3.237 0.216 1.00 10.00 B +ATOM 2742 CE2 TYR B 130 -18.715 1.532 -1.362 1.00 10.00 B +ATOM 2743 CZ TYR B 130 -18.591 2.868 -1.034 1.00 10.00 B +ATOM 2744 OH TYR B 130 -18.926 3.827 -1.965 1.00 10.00 B +ATOM 2745 HH TYR B 130 -19.368 3.408 -2.720 1.00 10.00 B +ATOM 2746 C TYR B 130 -19.153 0.425 3.662 1.00 10.00 B +ATOM 2747 O TYR B 130 -19.673 1.544 3.666 1.00 10.00 B +ATOM 2748 N LYS B 131 -19.820 -0.677 3.983 1.00 10.00 B +ATOM 2749 HN LYS B 131 -19.351 -1.542 3.980 1.00 10.00 B +ATOM 2750 CA LYS B 131 -21.241 -0.637 4.321 1.00 10.00 B +ATOM 2751 CB LYS B 131 -21.768 -2.061 4.525 1.00 10.00 B +ATOM 2752 CG LYS B 131 -23.280 -2.158 4.713 1.00 10.00 B +ATOM 2753 CD LYS B 131 -23.682 -3.555 5.161 1.00 10.00 B +ATOM 2754 CE LYS B 131 -23.186 -4.606 4.182 1.00 10.00 B +ATOM 2755 NZ LYS B 131 -23.517 -5.992 4.616 1.00 10.00 B +ATOM 2756 HZ1 LYS B 131 -23.965 -6.512 3.831 1.00 10.00 B +ATOM 2757 HZ2 LYS B 131 -24.169 -5.971 5.424 1.00 10.00 B +ATOM 2758 HZ3 LYS B 131 -22.640 -6.498 4.900 1.00 10.00 B +ATOM 2759 C LYS B 131 -21.443 0.202 5.579 1.00 10.00 B +ATOM 2760 O LYS B 131 -22.437 0.917 5.726 1.00 10.00 B +ATOM 2761 N ARG B 132 -20.477 0.115 6.479 1.00 10.00 B +ATOM 2762 HN ARG B 132 -19.724 -0.489 6.299 1.00 10.00 B +ATOM 2763 CA ARG B 132 -20.484 0.866 7.722 1.00 10.00 B +ATOM 2764 CB ARG B 132 -19.255 0.457 8.531 1.00 10.00 B +ATOM 2765 CG ARG B 132 -19.238 0.864 9.976 1.00 10.00 B +ATOM 2766 CD ARG B 132 -17.917 0.417 10.606 1.00 10.00 B +ATOM 2767 NE ARG B 132 -17.776 -1.041 10.662 1.00 10.00 B +ATOM 2768 HE ARG B 132 -18.601 -1.570 10.664 1.00 10.00 B +ATOM 2769 CZ ARG B 132 -16.608 -1.680 10.709 1.00 10.00 B +ATOM 2770 NH1 ARG B 132 -15.473 -0.998 10.687 1.00 10.00 B +ATOM 2771 HH11 ARG B 132 -14.597 -1.477 10.722 1.00 10.00 B +ATOM 2772 HH12 ARG B 132 -15.492 0.001 10.637 1.00 10.00 B +ATOM 2773 NH2 ARG B 132 -16.566 -3.005 10.770 1.00 10.00 B +ATOM 2774 HH21 ARG B 132 -17.416 -3.534 10.782 1.00 10.00 B +ATOM 2775 HH22 ARG B 132 -15.686 -3.480 10.805 1.00 10.00 B +ATOM 2776 C ARG B 132 -20.457 2.370 7.433 1.00 10.00 B +ATOM 2777 O ARG B 132 -21.215 3.145 8.023 1.00 10.00 B +ATOM 2778 N TRP B 133 -19.579 2.773 6.519 1.00 10.00 B +ATOM 2779 HN TRP B 133 -18.997 2.108 6.092 1.00 10.00 B +ATOM 2780 CA TRP B 133 -19.455 4.176 6.131 1.00 10.00 B +ATOM 2781 CB TRP B 133 -18.270 4.381 5.188 1.00 10.00 B +ATOM 2782 CG TRP B 133 -16.962 3.900 5.719 1.00 10.00 B +ATOM 2783 CD1 TRP B 133 -16.687 3.499 6.993 1.00 10.00 B +ATOM 2784 CD2 TRP B 133 -15.741 3.761 4.980 1.00 10.00 B +ATOM 2785 NE1 TRP B 133 -15.367 3.121 7.095 1.00 10.00 B +ATOM 2786 HE1 TRP B 133 -14.929 2.800 7.908 1.00 10.00 B +ATOM 2787 CE2 TRP B 133 -14.766 3.275 5.872 1.00 10.00 B +ATOM 2788 CE3 TRP B 133 -15.380 4.007 3.651 1.00 10.00 B +ATOM 2789 CZ2 TRP B 133 -13.452 3.028 5.482 1.00 10.00 B +ATOM 2790 CZ3 TRP B 133 -14.071 3.760 3.264 1.00 10.00 B +ATOM 2791 CH2 TRP B 133 -13.125 3.276 4.176 1.00 10.00 B +ATOM 2792 C TRP B 133 -20.726 4.659 5.447 1.00 10.00 B +ATOM 2793 O TRP B 133 -21.175 5.785 5.673 1.00 10.00 B +ATOM 2794 N ILE B 134 -21.292 3.813 4.589 1.00 10.00 B +ATOM 2795 HN ILE B 134 -20.874 2.935 4.431 1.00 10.00 B +ATOM 2796 CA ILE B 134 -22.508 4.167 3.867 1.00 10.00 B +ATOM 2797 CB ILE B 134 -22.875 3.103 2.812 1.00 10.00 B +ATOM 2798 CG1 ILE B 134 -21.830 3.108 1.697 1.00 10.00 B +ATOM 2799 CG2 ILE B 134 -24.267 3.363 2.247 1.00 10.00 B +ATOM 2800 CD1 ILE B 134 -21.912 1.907 0.783 1.00 10.00 B +ATOM 2801 C ILE B 134 -23.660 4.364 4.837 1.00 10.00 B +ATOM 2802 O ILE B 134 -24.419 5.327 4.725 1.00 10.00 B +ATOM 2803 N ILE B 135 -23.778 3.468 5.809 1.00 10.00 B +ATOM 2804 HN ILE B 135 -23.152 2.707 5.847 1.00 10.00 B +ATOM 2805 CA ILE B 135 -24.831 3.590 6.813 1.00 10.00 B +ATOM 2806 CB ILE B 135 -24.915 2.340 7.707 1.00 10.00 B +ATOM 2807 CG1 ILE B 135 -25.550 1.189 6.922 1.00 10.00 B +ATOM 2808 CG2 ILE B 135 -25.718 2.638 8.970 1.00 10.00 B +ATOM 2809 CD1 ILE B 135 -25.408 -0.159 7.581 1.00 10.00 B +ATOM 2810 C ILE B 135 -24.683 4.863 7.656 1.00 10.00 B +ATOM 2811 O ILE B 135 -25.676 5.518 7.973 1.00 10.00 B +ATOM 2812 N LEU B 136 -23.450 5.216 8.010 1.00 10.00 B +ATOM 2813 HN LEU B 136 -22.699 4.603 7.839 1.00 10.00 B +ATOM 2814 CA LEU B 136 -23.200 6.506 8.655 1.00 10.00 B +ATOM 2815 CB LEU B 136 -21.705 6.712 8.920 1.00 10.00 B +ATOM 2816 CG LEU B 136 -21.086 5.911 10.067 1.00 10.00 B +ATOM 2817 CD1 LEU B 136 -19.580 6.121 10.112 1.00 10.00 B +ATOM 2818 CD2 LEU B 136 -21.719 6.309 11.394 1.00 10.00 B +ATOM 2819 C LEU B 136 -23.737 7.635 7.784 1.00 10.00 B +ATOM 2820 O LEU B 136 -24.384 8.557 8.278 1.00 10.00 B +ATOM 2821 N GLY B 137 -23.473 7.550 6.481 1.00 10.00 B +ATOM 2822 HN GLY B 137 -22.923 6.802 6.156 1.00 10.00 B +ATOM 2823 CA GLY B 137 -23.972 8.536 5.535 1.00 10.00 B +ATOM 2824 C GLY B 137 -25.486 8.559 5.496 1.00 10.00 B +ATOM 2825 O GLY B 137 -26.103 9.627 5.515 1.00 10.00 B +ATOM 2826 N LEU B 138 -26.096 7.380 5.448 1.00 10.00 B +ATOM 2827 HN LEU B 138 -25.556 6.555 5.420 1.00 10.00 B +ATOM 2828 CA LEU B 138 -27.550 7.288 5.416 1.00 10.00 B +ATOM 2829 CB LEU B 138 -28.013 5.840 5.236 1.00 10.00 B +ATOM 2830 CG LEU B 138 -27.745 5.232 3.853 1.00 10.00 B +ATOM 2831 CD1 LEU B 138 -28.096 3.757 3.842 1.00 10.00 B +ATOM 2832 CD2 LEU B 138 -28.528 5.976 2.788 1.00 10.00 B +ATOM 2833 C LEU B 138 -28.167 7.903 6.672 1.00 10.00 B +ATOM 2834 O LEU B 138 -29.200 8.561 6.596 1.00 10.00 B +ATOM 2835 N ASN B 139 -27.529 7.692 7.820 1.00 10.00 B +ATOM 2836 HN ASN B 139 -26.733 7.112 7.835 1.00 10.00 B +ATOM 2837 CA ASN B 139 -28.006 8.304 9.060 1.00 10.00 B +ATOM 2838 CB ASN B 139 -27.239 7.775 10.276 1.00 10.00 B +ATOM 2839 CG ASN B 139 -27.818 6.478 10.805 1.00 10.00 B +ATOM 2840 OD1 ASN B 139 -28.895 6.467 11.405 1.00 10.00 B +ATOM 2841 ND2 ASN B 139 -27.112 5.376 10.583 1.00 10.00 B +ATOM 2842 HD21 ASN B 139 -26.265 5.458 10.092 1.00 10.00 B +ATOM 2843 HD22 ASN B 139 -27.466 4.525 10.916 1.00 10.00 B +ATOM 2844 C ASN B 139 -27.958 9.828 9.004 1.00 10.00 B +ATOM 2845 O ASN B 139 -28.888 10.499 9.458 1.00 10.00 B +ATOM 2846 N LYS B 140 -26.888 10.371 8.431 1.00 10.00 B +ATOM 2847 HN LYS B 140 -26.157 9.785 8.130 1.00 10.00 B +ATOM 2848 CA LYS B 140 -26.773 11.815 8.236 1.00 10.00 B +ATOM 2849 CB LYS B 140 -25.449 12.164 7.552 1.00 10.00 B +ATOM 2850 CG LYS B 140 -24.240 12.328 8.452 1.00 10.00 B +ATOM 2851 CD LYS B 140 -23.148 13.036 7.660 1.00 10.00 B +ATOM 2852 CE LYS B 140 -21.769 12.877 8.271 1.00 10.00 B +ATOM 2853 NZ LYS B 140 -20.734 13.437 7.348 1.00 10.00 B +ATOM 2854 HZ1 LYS B 140 -19.780 13.312 7.753 1.00 10.00 B +ATOM 2855 HZ2 LYS B 140 -20.900 14.450 7.190 1.00 10.00 B +ATOM 2856 HZ3 LYS B 140 -20.774 12.943 6.428 1.00 10.00 B +ATOM 2857 C LYS B 140 -27.914 12.342 7.371 1.00 10.00 B +ATOM 2858 O LYS B 140 -28.492 13.392 7.660 1.00 10.00 B +ATOM 2859 N ILE B 141 -28.219 11.613 6.301 1.00 10.00 B +ATOM 2860 HN ILE B 141 -27.721 10.780 6.141 1.00 10.00 B +ATOM 2861 CA ILE B 141 -29.257 12.003 5.351 1.00 10.00 B +ATOM 2862 CB ILE B 141 -29.234 11.091 4.106 1.00 10.00 B +ATOM 2863 CG1 ILE B 141 -27.909 11.257 3.359 1.00 10.00 B +ATOM 2864 CG2 ILE B 141 -30.420 11.388 3.197 1.00 10.00 B +ATOM 2865 CD1 ILE B 141 -27.701 10.244 2.237 1.00 10.00 B +ATOM 2866 C ILE B 141 -30.636 11.946 6.005 1.00 10.00 B +ATOM 2867 O ILE B 141 -31.460 12.842 5.827 1.00 10.00 B +ATOM 2868 N VAL B 142 -30.870 10.890 6.775 1.00 10.00 B +ATOM 2869 HN VAL B 142 -30.185 10.186 6.845 1.00 10.00 B +ATOM 2870 CA VAL B 142 -32.121 10.740 7.503 1.00 10.00 B +ATOM 2871 CB VAL B 142 -32.195 9.381 8.220 1.00 10.00 B +ATOM 2872 CG1 VAL B 142 -33.433 9.308 9.101 1.00 10.00 B +ATOM 2873 CG2 VAL B 142 -32.201 8.260 7.196 1.00 10.00 B +ATOM 2874 C VAL B 142 -32.323 11.874 8.506 1.00 10.00 B +ATOM 2875 O VAL B 142 -33.433 12.382 8.652 1.00 10.00 B +ATOM 2876 N ARG B 143 -31.253 12.275 9.189 1.00 10.00 B +ATOM 2877 HN ARG B 143 -30.401 11.794 9.079 1.00 10.00 B +ATOM 2878 CA ARG B 143 -31.329 13.411 10.111 1.00 10.00 B +ATOM 2879 CB ARG B 143 -30.014 13.603 10.874 1.00 10.00 B +ATOM 2880 CG ARG B 143 -29.778 12.650 12.027 1.00 10.00 B +ATOM 2881 CD ARG B 143 -28.653 13.180 12.910 1.00 10.00 B +ATOM 2882 NE ARG B 143 -27.574 13.768 12.117 1.00 10.00 B +ATOM 2883 HE ARG B 143 -27.706 13.803 11.146 1.00 10.00 B +ATOM 2884 CZ ARG B 143 -26.445 14.253 12.622 1.00 10.00 B +ATOM 2885 NH1 ARG B 143 -26.232 14.227 13.932 1.00 10.00 B +ATOM 2886 HH11 ARG B 143 -26.924 13.843 14.543 1.00 10.00 B +ATOM 2887 HH12 ARG B 143 -25.382 14.592 14.312 1.00 10.00 B +ATOM 2888 NH2 ARG B 143 -25.524 14.767 11.817 1.00 10.00 B +ATOM 2889 HH21 ARG B 143 -25.678 14.791 10.829 1.00 10.00 B +ATOM 2890 HH22 ARG B 143 -24.674 15.133 12.196 1.00 10.00 B +ATOM 2891 C ARG B 143 -31.643 14.695 9.355 1.00 10.00 B +ATOM 2892 O ARG B 143 -32.440 15.513 9.804 1.00 10.00 B +ATOM 2893 N MET B 144 -31.002 14.871 8.206 1.00 10.00 B +ATOM 2894 HN MET B 144 -30.408 14.160 7.875 1.00 10.00 B +ATOM 2895 CA MET B 144 -31.151 16.093 7.426 1.00 10.00 B +ATOM 2896 CB MET B 144 -30.274 16.029 6.170 1.00 10.00 B +ATOM 2897 CG MET B 144 -30.539 17.153 5.175 1.00 10.00 B +ATOM 2898 SD MET B 144 -29.330 17.214 3.838 1.00 10.00 B +ATOM 2899 CE MET B 144 -29.551 15.597 3.090 1.00 10.00 B +ATOM 2900 C MET B 144 -32.599 16.332 7.028 1.00 10.00 B +ATOM 2901 O MET B 144 -33.081 17.471 7.027 1.00 10.00 B +ATOM 2902 N TYR B 145 -33.285 15.247 6.692 1.00 10.00 B +ATOM 2903 HN TYR B 145 -32.858 14.367 6.791 1.00 10.00 B +ATOM 2904 CA TYR B 145 -34.640 15.314 6.174 1.00 10.00 B +ATOM 2905 CB TYR B 145 -34.800 14.301 5.040 1.00 10.00 B +ATOM 2906 CG TYR B 145 -34.047 14.651 3.780 1.00 10.00 B +ATOM 2907 CD1 TYR B 145 -33.470 13.657 2.995 1.00 10.00 B +ATOM 2908 CD2 TYR B 145 -33.922 15.969 3.361 1.00 10.00 B +ATOM 2909 CE1 TYR B 145 -32.788 13.967 1.839 1.00 10.00 B +ATOM 2910 CE2 TYR B 145 -33.239 16.286 2.198 1.00 10.00 B +ATOM 2911 CZ TYR B 145 -32.674 15.283 1.445 1.00 10.00 B +ATOM 2912 OH TYR B 145 -31.997 15.593 0.288 1.00 10.00 B +ATOM 2913 HH TYR B 145 -31.415 16.340 0.449 1.00 10.00 B +ATOM 2914 C TYR B 145 -35.691 15.026 7.243 1.00 10.00 B +ATOM 2915 O TYR B 145 -36.878 14.913 6.937 1.00 10.00 B +ATOM 2916 N SER B 146 -35.253 14.903 8.489 1.00 10.00 B +ATOM 2917 HN SER B 146 -34.306 15.070 8.683 1.00 10.00 B +ATOM 2918 CA SER B 146 -36.149 14.514 9.572 1.00 10.00 B +ATOM 2919 CB SER B 146 -35.350 14.103 10.810 1.00 10.00 B +ATOM 2920 OG SER B 146 -34.583 15.188 11.306 1.00 10.00 B +ATOM 2921 HG SER B 146 -33.992 15.513 10.613 1.00 10.00 B +ATOM 2922 C SER B 146 -37.134 15.618 9.937 1.00 10.00 B +ATOM 2923 O SER B 146 -38.105 15.361 10.650 1.00 10.00 B +END \ No newline at end of file diff --git a/test/test_structureSimilarity.py b/test/test_structureSimilarity.py index 4751fb3..63a132d 100644 --- a/test/test_structureSimilarity.py +++ b/test/test_structureSimilarity.py @@ -22,6 +22,15 @@ def setUp(self): self.dockQ = 0.682191 self.capriClass = 'medium' self.nclashes_ref = 4 + #################################################################### + # test check_residues to see if pdb files match or not + #################################################################### + def test_check_residues(self): + decoy = Path(pdb_folder, '1AK4', '1AK4_5w_nonmatch.pdb') + with self.assertRaisesRegex(ValueError, + 'Residue numbering not identical'): + sim = StructureSimilarity(decoy, self.ref) + sim.check_residues() #################################################################### # test i-rmsd @@ -90,12 +99,6 @@ def test_lrmsdfast_method(self): result = self.sim.compute_lrmsd_fast(method='quaternion') self.assertEqual(result, self.lrmsd) - def test_lrmsdfast_check(self): - """verify compute_lrmsd_fast(check=False)""" - with self.assertRaisesRegex(ValueError, - 'operands could not be broadcast'): - _ = self.sim.compute_lrmsd_fast(check=False) - def test_lrmsdsql_default(self): """verify compute_lrmsd_pdb2sql()""" result = self.sim.compute_lrmsd_pdb2sql()