diff --git a/src/biotite/structure/bonds.pyx b/src/biotite/structure/bonds.pyx index 5415e3f20..65da11f1e 100644 --- a/src/biotite/structure/bonds.pyx +++ b/src/biotite/structure/bonds.pyx @@ -1620,6 +1620,7 @@ def connect_via_residue_names(atoms, bint inter_residue=True, """ from .info.bonds import bonds_in_residue from .residues import get_residue_starts + from .info.ccd import get_from_ccd cdef list bonds = [] cdef int res_i @@ -1627,13 +1628,14 @@ def connect_via_residue_names(atoms, bint inter_residue=True, cdef int curr_start_i, next_start_i cdef np.ndarray atom_names = atoms.atom_name cdef np.ndarray atom_names_in_res + cdef np.ndarray std_atom_ids cdef np.ndarray res_names = atoms.res_name cdef str atom_name1, atom_name2 cdef int64[:] atom_indices1, atom_indices2 cdef dict bond_dict_for_res residue_starts = get_residue_starts(atoms, add_exclusive_stop=True) - # Omit exclsive stop in 'residue_starts' + # Omit exclusive stop in 'residue_starts' for res_i in range(len(residue_starts)-1): curr_start_i = residue_starts[res_i] next_start_i = residue_starts[res_i+1] @@ -1646,6 +1648,38 @@ def connect_via_residue_names(atoms, bint inter_residue=True, ) atom_names_in_res = atom_names[curr_start_i : next_start_i] + + # Check if we should use alternative atom names + std_atom_ids = get_from_ccd( + "chem_comp_atom", + res_names[curr_start_i], + "atom_id" + ) + if (atom_names_in_res is not None and \ + std_atom_ids is not None and \ + not set(atom_names_in_res).issubset(std_atom_ids)): + # We do not assume that the order of atoms within + # atom_names_in_res matches that of the CCD + alt_atom_ids = get_from_ccd( + "chem_comp_atom", + res_names[curr_start_i], + "alt_atom_id" + ) + if set(atom_names_in_res).issubset(alt_atom_ids): + # Standardize atom IDs + mapping = dict(zip(alt_atom_ids, std_atom_ids)) + mapped_atom_names_in_res = np.vectorize( + mapping.get + )(atom_names_in_res) + atom_names_in_res = mapped_atom_names_in_res + + # If we uncomment the line below, we modify the atom_name in-place + # And thus enforce standardized atom names (which may be an unexpected behavior) + # TODO: Is that a desired behavior? + # atoms.atom_name[curr_start_i : next_start_i] = atom_names_in_res + + # TODO: How to handle cases that do not fit either mapping? + for (atom_name1, atom_name2), bond_type in bond_dict_for_res.items(): atom_indices1 = np.where(atom_names_in_res == atom_name1)[0] \ .astype(np.int64, copy=False) diff --git a/tests/structure/data/6q9t.cif b/tests/structure/data/6q9t.cif new file mode 100644 index 000000000..acf620048 --- /dev/null +++ b/tests/structure/data/6q9t.cif @@ -0,0 +1,7643 @@ +data_6Q9T +# +_entry.id 6Q9T +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.397 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 6Q9T pdb_00006q9t 10.2210/pdb6q9t/pdb +WWPDB D_1200013487 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2019-09-18 +2 'Structure model' 2 0 2023-11-15 +3 'Structure model' 2 1 2024-01-24 +4 'Structure model' 3 0 2024-08-14 +5 'Structure model' 3 1 2024-10-23 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Atomic model' +2 2 'Structure model' 'Data collection' +3 2 'Structure model' 'Database references' +4 2 'Structure model' 'Derived calculations' +5 3 'Structure model' 'Refinement description' +6 4 'Structure model' 'Atomic model' +7 4 'Structure model' 'Data collection' +8 4 'Structure model' 'Database references' +9 4 'Structure model' 'Derived calculations' +10 4 'Structure model' 'Non-polymer description' +11 4 'Structure model' Other +12 4 'Structure model' 'Polymer sequence' +13 4 'Structure model' 'Refinement description' +14 4 'Structure model' 'Source and taxonomy' +15 4 'Structure model' 'Structure summary' +16 5 'Structure model' 'Derived calculations' +17 5 'Structure model' 'Structure summary' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 2 'Structure model' atom_site +2 2 'Structure model' atom_site_anisotrop +3 2 'Structure model' chem_comp_atom +4 2 'Structure model' chem_comp_bond +5 2 'Structure model' database_2 +6 2 'Structure model' struct_conn +7 2 'Structure model' struct_conn_type +8 3 'Structure model' pdbx_initial_refinement_model +9 4 'Structure model' atom_site +10 4 'Structure model' atom_site_anisotrop +11 4 'Structure model' chem_comp +12 4 'Structure model' chem_comp_atom +13 4 'Structure model' chem_comp_bond +14 4 'Structure model' entity +15 4 'Structure model' entity_poly +16 4 'Structure model' entity_poly_seq +17 4 'Structure model' entity_src_gen +18 4 'Structure model' pdbx_database_status +19 4 'Structure model' pdbx_entity_nonpoly +20 4 'Structure model' pdbx_entity_src_syn +21 4 'Structure model' pdbx_nonpoly_scheme +22 4 'Structure model' pdbx_poly_seq_scheme +23 4 'Structure model' pdbx_refine_tls_group +24 4 'Structure model' pdbx_struct_assembly +25 4 'Structure model' pdbx_struct_assembly_gen +26 4 'Structure model' pdbx_struct_assembly_prop +27 4 'Structure model' pdbx_struct_conn_angle +28 4 'Structure model' pdbx_validate_peptide_omega +29 4 'Structure model' pdbx_validate_rmsd_angle +30 4 'Structure model' pdbx_validate_torsion +31 4 'Structure model' struct_asym +32 4 'Structure model' struct_conn +33 4 'Structure model' struct_mon_prot_cis +34 4 'Structure model' struct_ref +35 4 'Structure model' struct_ref_seq +36 4 'Structure model' struct_site +37 4 'Structure model' struct_site_gen +38 5 'Structure model' pdbx_entry_details +39 5 'Structure model' pdbx_modification_feature +40 5 'Structure model' struct_conn +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 2 'Structure model' '_atom_site.auth_atom_id' +2 2 'Structure model' '_atom_site.label_atom_id' +3 2 'Structure model' '_atom_site_anisotrop.pdbx_auth_atom_id' +4 2 'Structure model' '_atom_site_anisotrop.pdbx_label_atom_id' +5 2 'Structure model' '_database_2.pdbx_DOI' +6 2 'Structure model' '_database_2.pdbx_database_accession' +7 2 'Structure model' '_struct_conn.conn_type_id' +8 2 'Structure model' '_struct_conn.id' +9 2 'Structure model' '_struct_conn.pdbx_dist_value' +10 2 'Structure model' '_struct_conn.pdbx_leaving_atom_flag' +11 2 'Structure model' '_struct_conn.ptnr1_auth_comp_id' +12 2 'Structure model' '_struct_conn.ptnr1_auth_seq_id' +13 2 'Structure model' '_struct_conn.ptnr1_label_asym_id' +14 2 'Structure model' '_struct_conn.ptnr1_label_atom_id' +15 2 'Structure model' '_struct_conn.ptnr1_label_comp_id' +16 2 'Structure model' '_struct_conn.ptnr1_label_seq_id' +17 2 'Structure model' '_struct_conn.ptnr2_auth_comp_id' +18 2 'Structure model' '_struct_conn.ptnr2_auth_seq_id' +19 2 'Structure model' '_struct_conn.ptnr2_label_asym_id' +20 2 'Structure model' '_struct_conn.ptnr2_label_atom_id' +21 2 'Structure model' '_struct_conn.ptnr2_label_comp_id' +22 2 'Structure model' '_struct_conn_type.id' +23 4 'Structure model' '_atom_site.B_iso_or_equiv' +24 4 'Structure model' '_atom_site.Cartn_x' +25 4 'Structure model' '_atom_site.Cartn_y' +26 4 'Structure model' '_atom_site.Cartn_z' +27 4 'Structure model' '_atom_site.auth_asym_id' +28 4 'Structure model' '_atom_site.auth_atom_id' +29 4 'Structure model' '_atom_site.auth_comp_id' +30 4 'Structure model' '_atom_site.auth_seq_id' +31 4 'Structure model' '_atom_site.label_asym_id' +32 4 'Structure model' '_atom_site.label_atom_id' +33 4 'Structure model' '_atom_site.label_comp_id' +34 4 'Structure model' '_atom_site.label_entity_id' +35 4 'Structure model' '_atom_site.label_seq_id' +36 4 'Structure model' '_atom_site.type_symbol' +37 4 'Structure model' '_atom_site_anisotrop.U[1][1]' +38 4 'Structure model' '_atom_site_anisotrop.U[1][2]' +39 4 'Structure model' '_atom_site_anisotrop.U[1][3]' +40 4 'Structure model' '_atom_site_anisotrop.U[2][2]' +41 4 'Structure model' '_atom_site_anisotrop.U[2][3]' +42 4 'Structure model' '_atom_site_anisotrop.U[3][3]' +43 4 'Structure model' '_atom_site_anisotrop.pdbx_auth_asym_id' +44 4 'Structure model' '_atom_site_anisotrop.pdbx_auth_atom_id' +45 4 'Structure model' '_atom_site_anisotrop.pdbx_auth_comp_id' +46 4 'Structure model' '_atom_site_anisotrop.pdbx_auth_seq_id' +47 4 'Structure model' '_atom_site_anisotrop.pdbx_label_asym_id' +48 4 'Structure model' '_atom_site_anisotrop.pdbx_label_atom_id' +49 4 'Structure model' '_atom_site_anisotrop.pdbx_label_comp_id' +50 4 'Structure model' '_atom_site_anisotrop.pdbx_label_seq_id' +51 4 'Structure model' '_atom_site_anisotrop.type_symbol' +52 4 'Structure model' '_chem_comp.formula' +53 4 'Structure model' '_chem_comp.formula_weight' +54 4 'Structure model' '_chem_comp.id' +55 4 'Structure model' '_chem_comp.mon_nstd_flag' +56 4 'Structure model' '_chem_comp.name' +57 4 'Structure model' '_chem_comp.type' +58 4 'Structure model' '_entity_src_gen.gene_src_common_name' +59 4 'Structure model' '_pdbx_database_status.pdb_format_compatible' +60 4 'Structure model' '_pdbx_refine_tls_group.end_auth_seq_id' +61 4 'Structure model' '_pdbx_struct_assembly.details' +62 4 'Structure model' '_pdbx_struct_assembly.method_details' +63 4 'Structure model' '_pdbx_struct_assembly.oligomeric_count' +64 4 'Structure model' '_pdbx_struct_assembly.oligomeric_details' +65 4 'Structure model' '_pdbx_struct_assembly_gen.asym_id_list' +66 4 'Structure model' '_pdbx_struct_conn_angle.ptnr2_label_asym_id' +67 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_asym_id' +68 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_comp_id' +69 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_seq_id' +70 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_asym_id' +71 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_atom_id' +72 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_comp_id' +73 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_seq_id' +74 5 'Structure model' '_struct_conn.pdbx_leaving_atom_flag' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 6Q9T +_pdbx_database_status.recvd_initial_deposition_date 2018-12-18 +_pdbx_database_status.SG_entry N +_pdbx_database_status.deposit_site PDBE +_pdbx_database_status.process_site PDBE +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible N +_pdbx_database_status.status_code_nmr_data ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Post, S.' 1 ? +;Langlois d'Estaintot, B. +; +2 0000-0003-3607-4899 +'Fischer, L.' 3 0000-0003-2648-793X +'Granier, T.' 4 0000-0002-7900-7285 +'Huc, I.' 5 0000-0001-7036-9696 +# +_citation.abstract ? +_citation.abstract_id_CAS ? +_citation.book_id_ISBN ? +_citation.book_publisher ? +_citation.book_publisher_city ? +_citation.book_title ? +_citation.coordinate_linkage ? +_citation.country GE +_citation.database_id_Medline ? +_citation.details ? +_citation.id primary +_citation.journal_abbrev Chemistry +_citation.journal_id_ASTM ? +_citation.journal_id_CSD ? +_citation.journal_id_ISSN 0947-6539 +_citation.journal_full ? +_citation.journal_issue ? +_citation.journal_volume 25 +_citation.language ? +_citation.page_first 11042 +_citation.page_last 11047 +_citation.title +'Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas.' +_citation.year 2019 +_citation.database_id_CSD ? +_citation.pdbx_database_id_DOI 10.1002/chem.201902942 +_citation.pdbx_database_id_PubMed 31257622 +_citation.unpublished_flag ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Reddy, P.S.' 1 0000-0002-0155-5505 +primary +;Langlois d'Estaintot, B. +; +2 0000-0003-3607-4899 +primary 'Granier, T.' 3 0000-0002-7900-7285 +primary 'Mackereth, C.D.' 4 0000-0002-0776-7947 +primary 'Fischer, L.' 5 0000-0003-2648-793X +primary 'Huc, I.' 6 0000-0001-7036-9696 +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'Carbonic anhydrase 2' 29157.863 1 4.2.1.1 ? ? ? +2 polymer syn 'Aromatic foldamer' 3044.020 1 ? ? ? ? +3 non-polymer syn 'ZINC ION' 65.409 1 ? ? ? ? +4 water nat water 18.015 6 ? ? ? ? +# +_entity_name_com.entity_id 1 +_entity_name_com.name 'Carbonate dehydratase II,Carbonic anhydrase C,CAC,Carbonic anhydrase II,CA-II' +# +loop_ +_entity_poly.entity_id +_entity_poly.type +_entity_poly.nstd_linkage +_entity_poly.nstd_monomer +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +_entity_poly.pdbx_strand_id +_entity_poly.pdbx_target_identifier +1 'polypeptide(L)' no no +;SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKG +GPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVD +VLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMV +DNWRPAQPLKNRQIKASFK +; +;SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKG +GPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVD +VLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMV +DNWRPAQPLKNRQIKASFK +; +A ? +2 'polypeptide(L)' no yes +;(4SO)(A1IJ4)(QUJ)(ZY9)(QVS)(QUK)(ZY9)(QVE)(ZY9)(ZY9)(QVS)(ZY9)(QDD)(ZY9)(QVE) +(QUK) +; +XXXXXXXXXXXXXXXX B ? +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +3 'ZINC ION' ZN +4 water HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 SER n +1 2 HIS n +1 3 HIS n +1 4 TRP n +1 5 GLY n +1 6 TYR n +1 7 GLY n +1 8 LYS n +1 9 HIS n +1 10 ASN n +1 11 GLY n +1 12 PRO n +1 13 GLU n +1 14 HIS n +1 15 TRP n +1 16 HIS n +1 17 LYS n +1 18 ASP n +1 19 PHE n +1 20 PRO n +1 21 ILE n +1 22 ALA n +1 23 LYS n +1 24 GLY n +1 25 GLU n +1 26 ARG n +1 27 GLN n +1 28 SER n +1 29 PRO n +1 30 VAL n +1 31 ASP n +1 32 ILE n +1 33 ASP n +1 34 THR n +1 35 HIS n +1 36 THR n +1 37 ALA n +1 38 LYS n +1 39 TYR n +1 40 ASP n +1 41 PRO n +1 42 SER n +1 43 LEU n +1 44 LYS n +1 45 PRO n +1 46 LEU n +1 47 SER n +1 48 VAL n +1 49 SER n +1 50 TYR n +1 51 ASP n +1 52 GLN n +1 53 ALA n +1 54 THR n +1 55 SER n +1 56 LEU n +1 57 ARG n +1 58 ILE n +1 59 LEU n +1 60 ASN n +1 61 ASN n +1 62 GLY n +1 63 HIS n +1 64 ALA n +1 65 PHE n +1 66 ASN n +1 67 VAL n +1 68 GLU n +1 69 PHE n +1 70 ASP n +1 71 ASP n +1 72 SER n +1 73 GLN n +1 74 ASP n +1 75 LYS n +1 76 ALA n +1 77 VAL n +1 78 LEU n +1 79 LYS n +1 80 GLY n +1 81 GLY n +1 82 PRO n +1 83 LEU n +1 84 ASP n +1 85 GLY n +1 86 THR n +1 87 TYR n +1 88 ARG n +1 89 LEU n +1 90 ILE n +1 91 GLN n +1 92 PHE n +1 93 HIS n +1 94 PHE n +1 95 HIS n +1 96 TRP n +1 97 GLY n +1 98 SER n +1 99 LEU n +1 100 ASP n +1 101 GLY n +1 102 GLN n +1 103 GLY n +1 104 SER n +1 105 GLU n +1 106 HIS n +1 107 THR n +1 108 VAL n +1 109 ASP n +1 110 LYS n +1 111 LYS n +1 112 LYS n +1 113 TYR n +1 114 ALA n +1 115 ALA n +1 116 GLU n +1 117 LEU n +1 118 HIS n +1 119 LEU n +1 120 VAL n +1 121 HIS n +1 122 TRP n +1 123 ASN n +1 124 THR n +1 125 LYS n +1 126 TYR n +1 127 GLY n +1 128 ASP n +1 129 PHE n +1 130 GLY n +1 131 LYS n +1 132 ALA n +1 133 VAL n +1 134 GLN n +1 135 GLN n +1 136 PRO n +1 137 ASP n +1 138 GLY n +1 139 LEU n +1 140 ALA n +1 141 VAL n +1 142 LEU n +1 143 GLY n +1 144 ILE n +1 145 PHE n +1 146 LEU n +1 147 LYS n +1 148 VAL n +1 149 GLY n +1 150 SER n +1 151 ALA n +1 152 LYS n +1 153 PRO n +1 154 GLY n +1 155 LEU n +1 156 GLN n +1 157 LYS n +1 158 VAL n +1 159 VAL n +1 160 ASP n +1 161 VAL n +1 162 LEU n +1 163 ASP n +1 164 SER n +1 165 ILE n +1 166 LYS n +1 167 THR n +1 168 LYS n +1 169 GLY n +1 170 LYS n +1 171 SER n +1 172 ALA n +1 173 ASP n +1 174 PHE n +1 175 THR n +1 176 ASN n +1 177 PHE n +1 178 ASP n +1 179 PRO n +1 180 ARG n +1 181 GLY n +1 182 LEU n +1 183 LEU n +1 184 PRO n +1 185 GLU n +1 186 SER n +1 187 LEU n +1 188 ASP n +1 189 TYR n +1 190 TRP n +1 191 THR n +1 192 TYR n +1 193 PRO n +1 194 GLY n +1 195 SER n +1 196 LEU n +1 197 THR n +1 198 THR n +1 199 PRO n +1 200 PRO n +1 201 LEU n +1 202 LEU n +1 203 GLU n +1 204 CYS n +1 205 VAL n +1 206 THR n +1 207 TRP n +1 208 ILE n +1 209 VAL n +1 210 LEU n +1 211 LYS n +1 212 GLU n +1 213 PRO n +1 214 ILE n +1 215 SER n +1 216 VAL n +1 217 SER n +1 218 SER n +1 219 GLU n +1 220 GLN n +1 221 VAL n +1 222 LEU n +1 223 LYS n +1 224 PHE n +1 225 ARG n +1 226 LYS n +1 227 LEU n +1 228 ASN n +1 229 PHE n +1 230 ASN n +1 231 GLY n +1 232 GLU n +1 233 GLY n +1 234 GLU n +1 235 PRO n +1 236 GLU n +1 237 GLU n +1 238 LEU n +1 239 MET n +1 240 VAL n +1 241 ASP n +1 242 ASN n +1 243 TRP n +1 244 ARG n +1 245 PRO n +1 246 ALA n +1 247 GLN n +1 248 PRO n +1 249 LEU n +1 250 LYS n +1 251 ASN n +1 252 ARG n +1 253 GLN n +1 254 ILE n +1 255 LYS n +1 256 ALA n +1 257 SER n +1 258 PHE n +1 259 LYS n +2 1 4SO n +2 2 A1IJ4 n +2 3 QUJ n +2 4 ZY9 n +2 5 QVS n +2 6 QUK n +2 7 ZY9 n +2 8 QVE n +2 9 ZY9 n +2 10 ZY9 n +2 11 QVS n +2 12 ZY9 n +2 13 QDD n +2 14 ZY9 n +2 15 QVE n +2 16 QUK n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_alt_source_flag sample +_entity_src_gen.pdbx_seq_type 'Biological sequence' +_entity_src_gen.pdbx_beg_seq_num 1 +_entity_src_gen.pdbx_end_seq_num 259 +_entity_src_gen.gene_src_common_name human +_entity_src_gen.gene_src_genus ? +_entity_src_gen.pdbx_gene_src_gene CA2 +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain ? +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line ? +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21(DE3)' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 +_entity_src_gen.host_org_genus ? +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species ? +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain ? +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type plasmid +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.host_org_details ? +_entity_src_gen.expression_system_id ? +_entity_src_gen.plasmid_name ? +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +_pdbx_entity_src_syn.entity_id 2 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num 1 +_pdbx_entity_src_syn.pdbx_end_seq_num 16 +_pdbx_entity_src_syn.organism_scientific 'synthetic construct' +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id 32630 +_pdbx_entity_src_syn.details ? +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +4SO non-polymer . '4-sulfamoylbenzoic acid' ? 'C7 H7 N O4 S' 201.200 +A1IJ4 'L-peptide linking' . '4-[3-(aminomethyl)phenoxy]butylcarbamic acid' ? 'C12 H18 N2 O3' 238.283 +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +QDD 'L-peptide linking' . '2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid' ? 'C12 H10 N2 O4' 246.219 +QUJ 'L-peptide linking' . '8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid' ? 'C14 H16 N2 O3' 260.288 +QUK 'L-peptide linking' . '8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid' ? 'C13 H15 N3 O3' 261.276 +QVE 'L-peptide linking' . '8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid' ? 'C12 H10 N2 O5' 262.218 +QVS 'L-peptide linking' . '8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid' ? 'C10 H8 N2 O3' 204.182 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 +ZY9 'L-peptide linking' . '6-(aminomethyl)pyridine-2-carboxylic acid' ? 'C7 H8 N2 O2' 152.151 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 SER 1 2 ? ? ? A . n +A 1 2 HIS 2 3 ? ? ? A . n +A 1 3 HIS 3 4 ? ? ? A . n +A 1 4 TRP 4 5 ? ? ? A . n +A 1 5 GLY 5 6 ? ? ? A . n +A 1 6 TYR 6 7 ? ? ? A . n +A 1 7 GLY 7 8 ? ? ? A . n +A 1 8 LYS 8 9 ? ? ? A . n +A 1 9 HIS 9 10 ? ? ? A . n +A 1 10 ASN 10 11 ? ? ? A . n +A 1 11 GLY 11 12 12 GLY GLY A . n +A 1 12 PRO 12 13 13 PRO PRO A . n +A 1 13 GLU 13 14 14 GLU GLU A . n +A 1 14 HIS 14 15 15 HIS HIS A . n +A 1 15 TRP 15 16 16 TRP TRP A . n +A 1 16 HIS 16 17 17 HIS HIS A . n +A 1 17 LYS 17 18 18 LYS LYS A . n +A 1 18 ASP 18 19 19 ASP ASP A . n +A 1 19 PHE 19 20 20 PHE PHE A . n +A 1 20 PRO 20 21 21 PRO PRO A . n +A 1 21 ILE 21 22 22 ILE ILE A . n +A 1 22 ALA 22 23 23 ALA ALA A . n +A 1 23 LYS 23 24 24 LYS LYS A . n +A 1 24 GLY 24 25 25 GLY GLY A . n +A 1 25 GLU 25 26 26 GLU GLU A . n +A 1 26 ARG 26 27 27 ARG ARG A . n +A 1 27 GLN 27 28 28 GLN GLN A . n +A 1 28 SER 28 29 29 SER SER A . n +A 1 29 PRO 29 30 30 PRO PRO A . n +A 1 30 VAL 30 31 31 VAL VAL A . n +A 1 31 ASP 31 32 32 ASP ASP A . n +A 1 32 ILE 32 33 33 ILE ILE A . n +A 1 33 ASP 33 34 34 ASP ASP A . n +A 1 34 THR 34 35 35 THR THR A . n +A 1 35 HIS 35 36 36 HIS HIS A . n +A 1 36 THR 36 37 37 THR THR A . n +A 1 37 ALA 37 38 38 ALA ALA A . n +A 1 38 LYS 38 39 39 LYS LYS A . n +A 1 39 TYR 39 40 40 TYR TYR A . n +A 1 40 ASP 40 41 41 ASP ASP A . n +A 1 41 PRO 41 42 42 PRO PRO A . n +A 1 42 SER 42 43 43 SER SER A . n +A 1 43 LEU 43 44 44 LEU LEU A . n +A 1 44 LYS 44 45 45 LYS LYS A . n +A 1 45 PRO 45 46 46 PRO PRO A . n +A 1 46 LEU 46 47 47 LEU LEU A . n +A 1 47 SER 47 48 48 SER SER A . n +A 1 48 VAL 48 49 49 VAL VAL A . n +A 1 49 SER 49 50 50 SER SER A . n +A 1 50 TYR 50 51 51 TYR TYR A . n +A 1 51 ASP 51 52 52 ASP ASP A . n +A 1 52 GLN 52 53 53 GLN GLN A . n +A 1 53 ALA 53 54 54 ALA ALA A . n +A 1 54 THR 54 55 55 THR THR A . n +A 1 55 SER 55 56 56 SER SER A . n +A 1 56 LEU 56 57 57 LEU LEU A . n +A 1 57 ARG 57 58 58 ARG ARG A . n +A 1 58 ILE 58 59 59 ILE ILE A . n +A 1 59 LEU 59 60 60 LEU LEU A . n +A 1 60 ASN 60 61 61 ASN ASN A . n +A 1 61 ASN 61 62 62 ASN ASN A . n +A 1 62 GLY 62 63 63 GLY GLY A . n +A 1 63 HIS 63 64 64 HIS HIS A . n +A 1 64 ALA 64 65 65 ALA ALA A . n +A 1 65 PHE 65 66 66 PHE PHE A . n +A 1 66 ASN 66 67 67 ASN ASN A . n +A 1 67 VAL 67 68 68 VAL VAL A . n +A 1 68 GLU 68 69 69 GLU GLU A . n +A 1 69 PHE 69 70 70 PHE PHE A . n +A 1 70 ASP 70 71 71 ASP ASP A . n +A 1 71 ASP 71 72 72 ASP ASP A . n +A 1 72 SER 72 73 73 SER SER A . n +A 1 73 GLN 73 74 74 GLN GLN A . n +A 1 74 ASP 74 75 75 ASP ASP A . n +A 1 75 LYS 75 76 76 LYS LYS A . n +A 1 76 ALA 76 77 77 ALA ALA A . n +A 1 77 VAL 77 78 78 VAL VAL A . n +A 1 78 LEU 78 79 79 LEU LEU A . n +A 1 79 LYS 79 80 80 LYS LYS A . n +A 1 80 GLY 80 81 81 GLY GLY A . n +A 1 81 GLY 81 82 82 GLY GLY A . n +A 1 82 PRO 82 83 83 PRO PRO A . n +A 1 83 LEU 83 84 84 LEU LEU A . n +A 1 84 ASP 84 85 85 ASP ASP A . n +A 1 85 GLY 85 86 86 GLY GLY A . n +A 1 86 THR 86 87 87 THR THR A . n +A 1 87 TYR 87 88 88 TYR TYR A . n +A 1 88 ARG 88 89 89 ARG ARG A . n +A 1 89 LEU 89 90 90 LEU LEU A . n +A 1 90 ILE 90 91 91 ILE ILE A . n +A 1 91 GLN 91 92 92 GLN GLN A . n +A 1 92 PHE 92 93 93 PHE PHE A . n +A 1 93 HIS 93 94 94 HIS HIS A . n +A 1 94 PHE 94 95 95 PHE PHE A . n +A 1 95 HIS 95 96 96 HIS HIS A . n +A 1 96 TRP 96 97 97 TRP TRP A . n +A 1 97 GLY 97 98 98 GLY GLY A . n +A 1 98 SER 98 99 99 SER SER A . n +A 1 99 LEU 99 100 100 LEU LEU A . n +A 1 100 ASP 100 101 101 ASP ASP A . n +A 1 101 GLY 101 102 102 GLY GLY A . n +A 1 102 GLN 102 103 103 GLN GLN A . n +A 1 103 GLY 103 104 104 GLY GLY A . n +A 1 104 SER 104 105 105 SER SER A . n +A 1 105 GLU 105 106 106 GLU GLU A . n +A 1 106 HIS 106 107 107 HIS HIS A . n +A 1 107 THR 107 108 108 THR THR A . n +A 1 108 VAL 108 109 109 VAL VAL A . n +A 1 109 ASP 109 110 110 ASP ASP A . n +A 1 110 LYS 110 111 111 LYS LYS A . n +A 1 111 LYS 111 112 112 LYS LYS A . n +A 1 112 LYS 112 113 113 LYS LYS A . n +A 1 113 TYR 113 114 114 TYR TYR A . n +A 1 114 ALA 114 115 115 ALA ALA A . n +A 1 115 ALA 115 116 116 ALA ALA A . n +A 1 116 GLU 116 117 117 GLU GLU A . n +A 1 117 LEU 117 118 118 LEU LEU A . n +A 1 118 HIS 118 119 119 HIS HIS A . n +A 1 119 LEU 119 120 120 LEU LEU A . n +A 1 120 VAL 120 121 121 VAL VAL A . n +A 1 121 HIS 121 122 122 HIS HIS A . n +A 1 122 TRP 122 123 123 TRP TRP A . n +A 1 123 ASN 123 124 124 ASN ASN A . n +A 1 124 THR 124 125 125 THR THR A . n +A 1 125 LYS 125 126 126 LYS LYS A . n +A 1 126 TYR 126 127 127 TYR TYR A . n +A 1 127 GLY 127 128 128 GLY GLY A . n +A 1 128 ASP 128 129 129 ASP ASP A . n +A 1 129 PHE 129 130 130 PHE PHE A . n +A 1 130 GLY 130 131 131 GLY GLY A . n +A 1 131 LYS 131 132 132 LYS LYS A . n +A 1 132 ALA 132 133 133 ALA ALA A . n +A 1 133 VAL 133 134 134 VAL VAL A . n +A 1 134 GLN 134 135 135 GLN GLN A . n +A 1 135 GLN 135 136 136 GLN GLN A . n +A 1 136 PRO 136 137 137 PRO PRO A . n +A 1 137 ASP 137 138 138 ASP ASP A . n +A 1 138 GLY 138 139 139 GLY GLY A . n +A 1 139 LEU 139 140 140 LEU LEU A . n +A 1 140 ALA 140 141 141 ALA ALA A . n +A 1 141 VAL 141 142 142 VAL VAL A . n +A 1 142 LEU 142 143 143 LEU LEU A . n +A 1 143 GLY 143 144 144 GLY GLY A . n +A 1 144 ILE 144 145 145 ILE ILE A . n +A 1 145 PHE 145 146 146 PHE PHE A . n +A 1 146 LEU 146 147 147 LEU LEU A . n +A 1 147 LYS 147 148 148 LYS LYS A . n +A 1 148 VAL 148 149 149 VAL VAL A . n +A 1 149 GLY 149 150 150 GLY GLY A . n +A 1 150 SER 150 151 151 SER SER A . n +A 1 151 ALA 151 152 152 ALA ALA A . n +A 1 152 LYS 152 153 153 LYS LYS A . n +A 1 153 PRO 153 154 154 PRO PRO A . n +A 1 154 GLY 154 155 155 GLY GLY A . n +A 1 155 LEU 155 156 156 LEU LEU A . n +A 1 156 GLN 156 157 157 GLN GLN A . n +A 1 157 LYS 157 158 158 LYS LYS A . n +A 1 158 VAL 158 159 159 VAL VAL A . n +A 1 159 VAL 159 160 160 VAL VAL A . n +A 1 160 ASP 160 161 161 ASP ASP A . n +A 1 161 VAL 161 162 162 VAL VAL A . n +A 1 162 LEU 162 163 163 LEU LEU A . n +A 1 163 ASP 163 164 164 ASP ASP A . n +A 1 164 SER 164 165 165 SER SER A . n +A 1 165 ILE 165 166 166 ILE ILE A . n +A 1 166 LYS 166 167 167 LYS LYS A . n +A 1 167 THR 167 168 168 THR THR A . n +A 1 168 LYS 168 169 169 LYS LYS A . n +A 1 169 GLY 169 170 170 GLY GLY A . n +A 1 170 LYS 170 171 171 LYS LYS A . n +A 1 171 SER 171 172 172 SER SER A . n +A 1 172 ALA 172 173 173 ALA ALA A . n +A 1 173 ASP 173 174 174 ASP ASP A . n +A 1 174 PHE 174 175 175 PHE PHE A . n +A 1 175 THR 175 176 176 THR THR A . n +A 1 176 ASN 176 177 177 ASN ASN A . n +A 1 177 PHE 177 178 178 PHE PHE A . n +A 1 178 ASP 178 179 179 ASP ASP A . n +A 1 179 PRO 179 180 180 PRO PRO A . n +A 1 180 ARG 180 181 181 ARG ARG A . n +A 1 181 GLY 181 182 182 GLY GLY A . n +A 1 182 LEU 182 183 183 LEU LEU A . n +A 1 183 LEU 183 184 184 LEU LEU A . n +A 1 184 PRO 184 185 185 PRO PRO A . n +A 1 185 GLU 185 186 186 GLU GLU A . n +A 1 186 SER 186 187 187 SER SER A . n +A 1 187 LEU 187 188 188 LEU LEU A . n +A 1 188 ASP 188 189 189 ASP ASP A . n +A 1 189 TYR 189 190 190 TYR TYR A . n +A 1 190 TRP 190 191 191 TRP TRP A . n +A 1 191 THR 191 192 192 THR THR A . n +A 1 192 TYR 192 193 193 TYR TYR A . n +A 1 193 PRO 193 194 194 PRO PRO A . n +A 1 194 GLY 194 195 195 GLY GLY A . n +A 1 195 SER 195 196 196 SER SER A . n +A 1 196 LEU 196 197 197 LEU LEU A . n +A 1 197 THR 197 198 198 THR THR A . n +A 1 198 THR 198 199 199 THR THR A . n +A 1 199 PRO 199 200 200 PRO PRO A . n +A 1 200 PRO 200 201 201 PRO PRO A . n +A 1 201 LEU 201 202 202 LEU LEU A . n +A 1 202 LEU 202 203 203 LEU LEU A . n +A 1 203 GLU 203 204 204 GLU GLU A . n +A 1 204 CYS 204 205 205 CYS CYS A . n +A 1 205 VAL 205 206 206 VAL VAL A . n +A 1 206 THR 206 207 207 THR THR A . n +A 1 207 TRP 207 208 208 TRP TRP A . n +A 1 208 ILE 208 209 209 ILE ILE A . n +A 1 209 VAL 209 210 210 VAL VAL A . n +A 1 210 LEU 210 211 211 LEU LEU A . n +A 1 211 LYS 211 212 212 LYS LYS A . n +A 1 212 GLU 212 213 213 GLU GLU A . n +A 1 213 PRO 213 214 214 PRO PRO A . n +A 1 214 ILE 214 215 215 ILE ILE A . n +A 1 215 SER 215 216 216 SER SER A . n +A 1 216 VAL 216 217 217 VAL VAL A . n +A 1 217 SER 217 218 218 SER SER A . n +A 1 218 SER 218 219 219 SER SER A . n +A 1 219 GLU 219 220 220 GLU GLU A . n +A 1 220 GLN 220 221 221 GLN GLN A . n +A 1 221 VAL 221 222 222 VAL VAL A . n +A 1 222 LEU 222 223 223 LEU LEU A . n +A 1 223 LYS 223 224 224 LYS LYS A . n +A 1 224 PHE 224 225 225 PHE PHE A . n +A 1 225 ARG 225 226 226 ARG ARG A . n +A 1 226 LYS 226 227 227 LYS LYS A . n +A 1 227 LEU 227 228 ? ? ? A . n +A 1 228 ASN 228 229 ? ? ? A . n +A 1 229 PHE 229 230 ? ? ? A . n +A 1 230 ASN 230 231 ? ? ? A . n +A 1 231 GLY 231 232 ? ? ? A . n +A 1 232 GLU 232 233 ? ? ? A . n +A 1 233 GLY 233 234 ? ? ? A . n +A 1 234 GLU 234 235 ? ? ? A . n +A 1 235 PRO 235 236 ? ? ? A . n +A 1 236 GLU 236 237 ? ? ? A . n +A 1 237 GLU 237 238 ? ? ? A . n +A 1 238 LEU 238 239 ? ? ? A . n +A 1 239 MET 239 240 240 MET MET A . n +A 1 240 VAL 240 241 241 VAL VAL A . n +A 1 241 ASP 241 242 242 ASP ASP A . n +A 1 242 ASN 242 243 243 ASN ASN A . n +A 1 243 TRP 243 244 244 TRP TRP A . n +A 1 244 ARG 244 245 245 ARG ARG A . n +A 1 245 PRO 245 246 246 PRO PRO A . n +A 1 246 ALA 246 247 247 ALA ALA A . n +A 1 247 GLN 247 248 248 GLN GLN A . n +A 1 248 PRO 248 249 249 PRO PRO A . n +A 1 249 LEU 249 250 250 LEU LEU A . n +A 1 250 LYS 250 251 251 LYS LYS A . n +A 1 251 ASN 251 252 252 ASN ASN A . n +A 1 252 ARG 252 253 253 ARG ARG A . n +A 1 253 GLN 253 254 254 GLN GLN A . n +A 1 254 ILE 254 255 255 ILE ILE A . n +A 1 255 LYS 255 256 256 LYS LYS A . n +A 1 256 ALA 256 257 257 ALA ALA A . n +A 1 257 SER 257 258 258 SER SER A . n +A 1 258 PHE 258 259 259 PHE PHE A . n +A 1 259 LYS 259 260 260 LYS LYS A . n +B 2 1 4SO 1 301 312 4SO 6H0 B . n +B 2 2 A1IJ4 2 302 312 A1IJ4 6H0 B . n +B 2 3 QUJ 3 303 313 QUJ QUJ B . n +B 2 4 ZY9 4 304 314 ZY9 ZY9 B . n +B 2 5 QVS 5 305 315 QVS QVS B . n +B 2 6 QUK 6 306 316 QUK QUK B . n +B 2 7 ZY9 7 307 317 ZY9 ZY9 B . n +B 2 8 QVE 8 308 318 QVE QVE B . n +B 2 9 ZY9 9 309 319 ZY9 ZY9 B . n +B 2 10 ZY9 10 310 320 ZY9 ZY9 B . n +B 2 11 QVS 11 311 321 QVS QVS B . n +B 2 12 ZY9 12 312 322 ZY9 ZY9 B . n +B 2 13 QDD 13 313 323 QDD QDD B . n +B 2 14 ZY9 14 314 324 ZY9 ZY9 B . n +B 2 15 QVE 15 315 325 QVE QVE B . n +B 2 16 QUK 16 316 326 QUK QUK B . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +C 3 ZN 1 301 301 ZN ZN A . +D 4 HOH 1 401 14 HOH HOH A . +D 4 HOH 2 402 1 HOH HOH A . +D 4 HOH 3 403 5 HOH HOH A . +D 4 HOH 4 404 8 HOH HOH A . +E 4 HOH 1 401 10 HOH HOH B . +E 4 HOH 2 402 17 HOH HOH B . +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 A GLU 14 ? CG ? A GLU 13 CG +2 1 Y 1 A GLU 14 ? CD ? A GLU 13 CD +3 1 Y 1 A GLU 14 ? OE1 ? A GLU 13 OE1 +4 1 Y 1 A GLU 14 ? OE2 ? A GLU 13 OE2 +5 1 Y 1 A LYS 18 ? CG ? A LYS 17 CG +6 1 Y 1 A LYS 18 ? CD ? A LYS 17 CD +7 1 Y 1 A LYS 18 ? CE ? A LYS 17 CE +8 1 Y 1 A LYS 18 ? NZ ? A LYS 17 NZ +9 1 Y 1 A LYS 24 ? CG ? A LYS 23 CG +10 1 Y 1 A LYS 24 ? CD ? A LYS 23 CD +11 1 Y 1 A LYS 24 ? CE ? A LYS 23 CE +12 1 Y 1 A LYS 24 ? NZ ? A LYS 23 NZ +13 1 Y 1 A GLU 26 ? CD ? A GLU 25 CD +14 1 Y 1 A GLU 26 ? OE1 ? A GLU 25 OE1 +15 1 Y 1 A GLU 26 ? OE2 ? A GLU 25 OE2 +16 1 Y 1 A THR 37 ? OG1 ? A THR 36 OG1 +17 1 Y 1 A THR 37 ? CG2 ? A THR 36 CG2 +18 1 Y 1 A LYS 39 ? CD ? A LYS 38 CD +19 1 Y 1 A LYS 39 ? CE ? A LYS 38 CE +20 1 Y 1 A LYS 39 ? NZ ? A LYS 38 NZ +21 1 Y 1 A LYS 45 ? CG ? A LYS 44 CG +22 1 Y 1 A LYS 45 ? CD ? A LYS 44 CD +23 1 Y 1 A LYS 45 ? CE ? A LYS 44 CE +24 1 Y 1 A LYS 45 ? NZ ? A LYS 44 NZ +25 1 Y 1 A ARG 58 ? CG ? A ARG 57 CG +26 1 Y 1 A ARG 58 ? CD ? A ARG 57 CD +27 1 Y 1 A ARG 58 ? NE ? A ARG 57 NE +28 1 Y 1 A ARG 58 ? CZ ? A ARG 57 CZ +29 1 Y 1 A ARG 58 ? NH1 ? A ARG 57 NH1 +30 1 Y 1 A ARG 58 ? NH2 ? A ARG 57 NH2 +31 1 Y 1 A GLU 69 ? CD ? A GLU 68 CD +32 1 Y 1 A GLU 69 ? OE1 ? A GLU 68 OE1 +33 1 Y 1 A GLU 69 ? OE2 ? A GLU 68 OE2 +34 1 Y 1 A ASP 85 ? CG ? A ASP 84 CG +35 1 Y 1 A ASP 85 ? OD1 ? A ASP 84 OD1 +36 1 Y 1 A ASP 85 ? OD2 ? A ASP 84 OD2 +37 1 Y 1 A SER 99 ? OG ? A SER 98 OG +38 1 Y 1 A LEU 100 ? CG ? A LEU 99 CG +39 1 Y 1 A LEU 100 ? CD1 ? A LEU 99 CD1 +40 1 Y 1 A LEU 100 ? CD2 ? A LEU 99 CD2 +41 1 Y 1 A LYS 132 ? CD ? A LYS 131 CD +42 1 Y 1 A LYS 132 ? CE ? A LYS 131 CE +43 1 Y 1 A LYS 132 ? NZ ? A LYS 131 NZ +44 1 Y 1 A LYS 148 ? CG ? A LYS 147 CG +45 1 Y 1 A LYS 148 ? CD ? A LYS 147 CD +46 1 Y 1 A LYS 148 ? CE ? A LYS 147 CE +47 1 Y 1 A LYS 148 ? NZ ? A LYS 147 NZ +48 1 Y 1 A LEU 163 ? CG ? A LEU 162 CG +49 1 Y 1 A LEU 163 ? CD1 ? A LEU 162 CD1 +50 1 Y 1 A LEU 163 ? CD2 ? A LEU 162 CD2 +51 1 Y 1 A LYS 167 ? CG ? A LYS 166 CG +52 1 Y 1 A LYS 167 ? CD ? A LYS 166 CD +53 1 Y 1 A LYS 167 ? CE ? A LYS 166 CE +54 1 Y 1 A LYS 167 ? NZ ? A LYS 166 NZ +55 1 Y 1 A LYS 169 ? CG ? A LYS 168 CG +56 1 Y 1 A LYS 169 ? CD ? A LYS 168 CD +57 1 Y 1 A LYS 169 ? CE ? A LYS 168 CE +58 1 Y 1 A LYS 169 ? NZ ? A LYS 168 NZ +59 1 Y 1 A LYS 171 ? CG ? A LYS 170 CG +60 1 Y 1 A LYS 171 ? CD ? A LYS 170 CD +61 1 Y 1 A LYS 171 ? CE ? A LYS 170 CE +62 1 Y 1 A LYS 171 ? NZ ? A LYS 170 NZ +63 1 Y 1 A GLU 186 ? CD ? A GLU 185 CD +64 1 Y 1 A GLU 186 ? OE1 ? A GLU 185 OE1 +65 1 Y 1 A GLU 186 ? OE2 ? A GLU 185 OE2 +66 1 Y 1 A LYS 212 ? CG ? A LYS 211 CG +67 1 Y 1 A LYS 212 ? CD ? A LYS 211 CD +68 1 Y 1 A LYS 212 ? CE ? A LYS 211 CE +69 1 Y 1 A LYS 212 ? NZ ? A LYS 211 NZ +70 1 Y 1 A SER 216 ? OG ? A SER 215 OG +71 1 Y 1 A VAL 217 ? CG1 ? A VAL 216 CG1 +72 1 Y 1 A VAL 217 ? CG2 ? A VAL 216 CG2 +73 1 Y 1 A SER 219 ? OG ? A SER 218 OG +74 1 Y 1 A GLU 220 ? CG ? A GLU 219 CG +75 1 Y 1 A GLU 220 ? CD ? A GLU 219 CD +76 1 Y 1 A GLU 220 ? OE1 ? A GLU 219 OE1 +77 1 Y 1 A GLU 220 ? OE2 ? A GLU 219 OE2 +78 1 Y 1 A LEU 223 ? CG ? A LEU 222 CG +79 1 Y 1 A LEU 223 ? CD1 ? A LEU 222 CD1 +80 1 Y 1 A LEU 223 ? CD2 ? A LEU 222 CD2 +81 1 Y 1 A LYS 224 ? CD ? A LYS 223 CD +82 1 Y 1 A LYS 224 ? CE ? A LYS 223 CE +83 1 Y 1 A LYS 224 ? NZ ? A LYS 223 NZ +84 1 Y 1 A PHE 225 ? CG ? A PHE 224 CG +85 1 Y 1 A PHE 225 ? CD1 ? A PHE 224 CD1 +86 1 Y 1 A PHE 225 ? CD2 ? A PHE 224 CD2 +87 1 Y 1 A PHE 225 ? CE1 ? A PHE 224 CE1 +88 1 Y 1 A PHE 225 ? CE2 ? A PHE 224 CE2 +89 1 Y 1 A PHE 225 ? CZ ? A PHE 224 CZ +90 1 Y 1 A LYS 227 ? CG ? A LYS 226 CG +91 1 Y 1 A LYS 227 ? CD ? A LYS 226 CD +92 1 Y 1 A LYS 227 ? CE ? A LYS 226 CE +93 1 Y 1 A LYS 227 ? NZ ? A LYS 226 NZ +94 1 Y 1 A VAL 241 ? CG1 ? A VAL 240 CG1 +95 1 Y 1 A VAL 241 ? CG2 ? A VAL 240 CG2 +96 1 Y 1 A ASP 242 ? CG ? A ASP 241 CG +97 1 Y 1 A ASP 242 ? OD1 ? A ASP 241 OD1 +98 1 Y 1 A ASP 242 ? OD2 ? A ASP 241 OD2 +99 1 Y 1 A ASN 252 ? CG ? A ASN 251 CG +100 1 Y 1 A ASN 252 ? OD1 ? A ASN 251 OD1 +101 1 Y 1 A ASN 252 ? ND2 ? A ASN 251 ND2 +102 1 Y 1 A LYS 260 ? CG ? A LYS 259 CG +103 1 Y 1 A LYS 260 ? CD ? A LYS 259 CD +104 1 Y 1 A LYS 260 ? CE ? A LYS 259 CE +105 1 Y 1 A LYS 260 ? NZ ? A LYS 259 NZ +# +loop_ +_software.citation_id +_software.classification +_software.compiler_name +_software.compiler_version +_software.contact_author +_software.contact_author_email +_software.date +_software.description +_software.dependencies +_software.hardware +_software.language +_software.location +_software.mods +_software.name +_software.os +_software.os_version +_software.type +_software.version +_software.pdbx_ordinal +? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0238 1 +? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? 'VERSION Nov 11, 2017 BUILT=20171111' 2 +? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? 'VERSION Nov 11, 2017 BUILT=20171111' 3 +? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? 2.7.17 4 +# +_cell.angle_alpha 90.00 +_cell.angle_alpha_esd ? +_cell.angle_beta 90.00 +_cell.angle_beta_esd ? +_cell.angle_gamma 90.00 +_cell.angle_gamma_esd ? +_cell.entry_id 6Q9T +_cell.details ? +_cell.formula_units_Z ? +_cell.length_a 79.300 +_cell.length_a_esd ? +_cell.length_b 80.960 +_cell.length_b_esd ? +_cell.length_c 45.620 +_cell.length_c_esd ? +_cell.volume ? +_cell.volume_esd ? +_cell.Z_PDB 4 +_cell.reciprocal_angle_alpha ? +_cell.reciprocal_angle_beta ? +_cell.reciprocal_angle_gamma ? +_cell.reciprocal_angle_alpha_esd ? +_cell.reciprocal_angle_beta_esd ? +_cell.reciprocal_angle_gamma_esd ? +_cell.reciprocal_length_a ? +_cell.reciprocal_length_b ? +_cell.reciprocal_length_c ? +_cell.reciprocal_length_a_esd ? +_cell.reciprocal_length_b_esd ? +_cell.reciprocal_length_c_esd ? +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 6Q9T +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 18 +_symmetry.space_group_name_Hall ? +_symmetry.space_group_name_H-M 'P 21 21 2' +_symmetry.pdbx_full_space_group_name_H-M ? +# +_exptl.absorpt_coefficient_mu ? +_exptl.absorpt_correction_T_max ? +_exptl.absorpt_correction_T_min ? +_exptl.absorpt_correction_type ? +_exptl.absorpt_process_details ? +_exptl.entry_id 6Q9T +_exptl.crystals_number 1 +_exptl.details ? +_exptl.method 'X-RAY DIFFRACTION' +_exptl.method_details ? +# +_exptl_crystal.colour ? +_exptl_crystal.density_diffrn ? +_exptl_crystal.density_Matthews 2.52 +_exptl_crystal.density_method ? +_exptl_crystal.density_percent_sol 51 +_exptl_crystal.description parallelogram +_exptl_crystal.F_000 ? +_exptl_crystal.id 1 +_exptl_crystal.preparation ? +_exptl_crystal.size_max ? +_exptl_crystal.size_mid ? +_exptl_crystal.size_min ? +_exptl_crystal.size_rad ? +_exptl_crystal.colour_lustre ? +_exptl_crystal.colour_modifier ? +_exptl_crystal.colour_primary ? +_exptl_crystal.density_meas ? +_exptl_crystal.density_meas_esd ? +_exptl_crystal.density_meas_gt ? +_exptl_crystal.density_meas_lt ? +_exptl_crystal.density_meas_temp ? +_exptl_crystal.density_meas_temp_esd ? +_exptl_crystal.density_meas_temp_gt ? +_exptl_crystal.density_meas_temp_lt ? +_exptl_crystal.pdbx_crystal_image_url ? +_exptl_crystal.pdbx_crystal_image_format ? +_exptl_crystal.pdbx_mosaicity ? +_exptl_crystal.pdbx_mosaicity_esd ? +# +_exptl_crystal_grow.apparatus ? +_exptl_crystal_grow.atmosphere ? +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.details ? +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.method_ref ? +_exptl_crystal_grow.pH 5.7 +_exptl_crystal_grow.pressure ? +_exptl_crystal_grow.pressure_esd ? +_exptl_crystal_grow.seeding ? +_exptl_crystal_grow.seeding_ref ? +_exptl_crystal_grow.temp 293 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.temp_esd ? +_exptl_crystal_grow.time ? +_exptl_crystal_grow.pdbx_details 'Ammonium sulfate 0.2 M, Sodium acetate 0.1 M pH 5.7, PEG 4000 14%, Sodium azide 3 mM' +_exptl_crystal_grow.pdbx_pH_range ? +# +_diffrn.ambient_environment ? +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.ambient_temp_esd ? +_diffrn.crystal_id 1 +_diffrn.crystal_support ? +_diffrn.crystal_treatment ? +_diffrn.details ? +_diffrn.id 1 +_diffrn.ambient_pressure ? +_diffrn.ambient_pressure_esd ? +_diffrn.ambient_pressure_gt ? +_diffrn.ambient_pressure_lt ? +_diffrn.ambient_temp_gt ? +_diffrn.ambient_temp_lt ? +_diffrn.pdbx_serial_crystal_experiment N +# +_diffrn_detector.details +'CRYOGENICALLY COOLED CHANNEL CUT CRYSTAL MONOCHROMATOR, CONVEX PREFOCUSSING MIRROR AND A KIRKPATRICK-BAEZ PAIR OF FOCUSSING MIRRORS' +_diffrn_detector.detector PIXEL +_diffrn_detector.diffrn_id 1 +_diffrn_detector.type 'DECTRIS EIGER X 9M' +_diffrn_detector.area_resol_mean ? +_diffrn_detector.dtime ? +_diffrn_detector.pdbx_frames_total ? +_diffrn_detector.pdbx_collection_time_total ? +_diffrn_detector.pdbx_collection_date 2018-02-16 +_diffrn_detector.pdbx_frequency ? +# +_diffrn_radiation.collimation ? +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.filter_edge ? +_diffrn_radiation.inhomogeneity ? +_diffrn_radiation.monochromator 'CHANNEL CUT CRYOGENICALLY COOLED MONOCHROMATOR CRYSTAL' +_diffrn_radiation.polarisn_norm ? +_diffrn_radiation.polarisn_ratio ? +_diffrn_radiation.probe ? +_diffrn_radiation.type ? +_diffrn_radiation.xray_symbol ? +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_wavelength_list ? +_diffrn_radiation.pdbx_wavelength ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_analyzer ? +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.980112 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.current ? +_diffrn_source.details ? +_diffrn_source.diffrn_id 1 +_diffrn_source.power ? +_diffrn_source.size ? +_diffrn_source.source SYNCHROTRON +_diffrn_source.target ? +_diffrn_source.type 'SOLEIL BEAMLINE PROXIMA 2' +_diffrn_source.voltage ? +_diffrn_source.take-off_angle ? +_diffrn_source.pdbx_wavelength_list 0.980112 +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_synchrotron_beamline 'PROXIMA 2' +_diffrn_source.pdbx_synchrotron_site SOLEIL +# +_reflns.B_iso_Wilson_estimate 72.25 +_reflns.entry_id 6Q9T +_reflns.data_reduction_details ? +_reflns.data_reduction_method ? +_reflns.d_resolution_high 2.68 +_reflns.d_resolution_low 45.62 +_reflns.details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.number_all ? +_reflns.number_obs 8622 +_reflns.observed_criterion ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.observed_criterion_I_max ? +_reflns.observed_criterion_I_min ? +_reflns.observed_criterion_sigma_F ? +_reflns.observed_criterion_sigma_I ? +_reflns.percent_possible_obs 98.6 +_reflns.R_free_details ? +_reflns.Rmerge_F_all ? +_reflns.Rmerge_F_obs ? +_reflns.Friedel_coverage ? +_reflns.number_gt ? +_reflns.threshold_expression ? +_reflns.pdbx_redundancy 12.8 +_reflns.pdbx_Rmerge_I_obs ? +_reflns.pdbx_Rmerge_I_all ? +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_av_sigmaI ? +_reflns.pdbx_netI_over_sigmaI 17.96 +_reflns.pdbx_res_netI_over_av_sigmaI_2 ? +_reflns.pdbx_res_netI_over_sigmaI_2 ? +_reflns.pdbx_chi_squared ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_d_res_high_opt ? +_reflns.pdbx_d_res_low_opt ? +_reflns.pdbx_d_res_opt_method ? +_reflns.phase_calculation_details ? +_reflns.pdbx_Rrim_I_all 0.099 +_reflns.pdbx_Rpim_I_all ? +_reflns.pdbx_d_opt ? +_reflns.pdbx_number_measured_all ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.pdbx_CC_half 0.998 +_reflns.pdbx_R_split ? +_reflns.pdbx_CC_star ? +# +_reflns_shell.d_res_high 2.68 +_reflns_shell.d_res_low 2.84 +_reflns_shell.meanI_over_sigI_all ? +_reflns_shell.meanI_over_sigI_obs 2.02 +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.number_possible ? +_reflns_shell.number_unique_all ? +_reflns_shell.number_unique_obs 1262 +_reflns_shell.percent_possible_all 91.3 +_reflns_shell.percent_possible_obs ? +_reflns_shell.Rmerge_F_all ? +_reflns_shell.Rmerge_F_obs ? +_reflns_shell.Rmerge_I_all ? +_reflns_shell.Rmerge_I_obs ? +_reflns_shell.meanI_over_sigI_gt ? +_reflns_shell.meanI_over_uI_all ? +_reflns_shell.meanI_over_uI_gt ? +_reflns_shell.number_measured_gt ? +_reflns_shell.number_unique_gt ? +_reflns_shell.percent_possible_gt ? +_reflns_shell.Rmerge_F_gt ? +_reflns_shell.Rmerge_I_gt ? +_reflns_shell.pdbx_redundancy 12.64 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.pdbx_chi_squared ? +_reflns_shell.pdbx_netI_over_sigmaI_all ? +_reflns_shell.pdbx_netI_over_sigmaI_obs ? +_reflns_shell.pdbx_Rrim_I_all 0.99 +_reflns_shell.pdbx_Rpim_I_all ? +_reflns_shell.pdbx_rejects ? +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +_reflns_shell.pdbx_CC_half 0.859 +_reflns_shell.pdbx_R_split ? +_reflns_shell.pdbx_CC_star ? +# +_refine.aniso_B[1][1] -4.59 +_refine.aniso_B[1][2] -0.00 +_refine.aniso_B[1][3] -0.00 +_refine.aniso_B[2][2] -7.11 +_refine.aniso_B[2][3] 0.00 +_refine.aniso_B[3][3] 11.70 +_refine.B_iso_max ? +_refine.B_iso_mean 69.834 +_refine.B_iso_min ? +_refine.correlation_coeff_Fo_to_Fc 0.939 +_refine.correlation_coeff_Fo_to_Fc_free 0.932 +_refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' +_refine.diff_density_max ? +_refine.diff_density_max_esd ? +_refine.diff_density_min ? +_refine.diff_density_min_esd ? +_refine.diff_density_rms ? +_refine.diff_density_rms_esd ? +_refine.entry_id 6Q9T +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.ls_abs_structure_details ? +_refine.ls_abs_structure_Flack ? +_refine.ls_abs_structure_Flack_esd ? +_refine.ls_abs_structure_Rogers ? +_refine.ls_abs_structure_Rogers_esd ? +_refine.ls_d_res_high 2.68 +_refine.ls_d_res_low 45.62 +_refine.ls_extinction_coef ? +_refine.ls_extinction_coef_esd ? +_refine.ls_extinction_expression ? +_refine.ls_extinction_method ? +_refine.ls_goodness_of_fit_all ? +_refine.ls_goodness_of_fit_all_esd ? +_refine.ls_goodness_of_fit_obs ? +_refine.ls_goodness_of_fit_obs_esd ? +_refine.ls_hydrogen_treatment ? +_refine.ls_matrix_type ? +_refine.ls_number_constraints ? +_refine.ls_number_parameters ? +_refine.ls_number_reflns_all ? +_refine.ls_number_reflns_obs 8189 +_refine.ls_number_reflns_R_free 431 +_refine.ls_number_reflns_R_work ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_obs 98.51 +_refine.ls_percent_reflns_R_free 5.0 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_obs 0.21732 +_refine.ls_R_factor_R_free 0.26025 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_R_factor_R_work 0.21480 +_refine.ls_R_Fsqd_factor_obs ? +_refine.ls_R_I_factor_obs ? +_refine.ls_redundancy_reflns_all ? +_refine.ls_redundancy_reflns_obs ? +_refine.ls_restrained_S_all ? +_refine.ls_restrained_S_obs ? +_refine.ls_shift_over_esd_max ? +_refine.ls_shift_over_esd_mean ? +_refine.ls_structure_factor_coef ? +_refine.ls_weighting_details ? +_refine.ls_weighting_scheme ? +_refine.ls_wR_factor_all ? +_refine.ls_wR_factor_obs ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.solvent_model_details MASK +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.ls_R_factor_gt ? +_refine.ls_goodness_of_fit_gt ? +_refine.ls_goodness_of_fit_ref ? +_refine.ls_shift_over_su_max ? +_refine.ls_shift_over_su_max_lt ? +_refine.ls_shift_over_su_mean ? +_refine.ls_shift_over_su_mean_lt ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F ? +_refine.pdbx_ls_sigma_Fsqd ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_starting_model 3KS3 +_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_overall_ESU_R 2.129 +_refine.pdbx_overall_ESU_R_Free 0.353 +_refine.pdbx_solvent_vdw_probe_radii 1.20 +_refine.pdbx_solvent_ion_probe_radii 0.80 +_refine.pdbx_solvent_shrinkage_radii 0.80 +_refine.pdbx_real_space_R ? +_refine.pdbx_density_correlation ? +_refine.pdbx_pd_number_of_powder_patterns ? +_refine.pdbx_pd_number_of_points ? +_refine.pdbx_pd_meas_number_of_points ? +_refine.pdbx_pd_proc_ls_prof_R_factor ? +_refine.pdbx_pd_proc_ls_prof_wR_factor ? +_refine.pdbx_pd_Marquardt_correlation_coeff ? +_refine.pdbx_pd_Fsqrd_R_factor ? +_refine.pdbx_pd_ls_matrix_band_width ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_diffrn_id 1 +_refine.overall_SU_B 46.885 +_refine.overall_SU_ML 0.400 +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_average_fsc_overall ? +_refine.pdbx_average_fsc_work ? +_refine.pdbx_average_fsc_free ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id 1 +_refine_hist.pdbx_number_atoms_protein 1778 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 225 +_refine_hist.number_atoms_solvent 6 +_refine_hist.number_atoms_total 2009 +_refine_hist.d_res_high 2.68 +_refine_hist.d_res_low 45.62 +# +loop_ +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.criterion +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.rejects +_refine_ls_restr.type +_refine_ls_restr.weight +_refine_ls_restr.pdbx_restraint_function +'X-RAY DIFFRACTION' ? 0.013 0.014 2080 ? r_bond_refined_d ? ? +'X-RAY DIFFRACTION' ? 0.008 0.018 1721 ? r_bond_other_d ? ? +'X-RAY DIFFRACTION' ? 2.009 1.784 2858 ? r_angle_refined_deg ? ? +'X-RAY DIFFRACTION' ? 1.551 1.697 3953 ? r_angle_other_deg ? ? +'X-RAY DIFFRACTION' ? 9.292 5.000 235 ? r_dihedral_angle_1_deg ? ? +'X-RAY DIFFRACTION' ? 34.409 23.171 82 ? r_dihedral_angle_2_deg ? ? +'X-RAY DIFFRACTION' ? 18.245 15.000 253 ? r_dihedral_angle_3_deg ? ? +'X-RAY DIFFRACTION' ? 19.909 15.000 6 ? r_dihedral_angle_4_deg ? ? +'X-RAY DIFFRACTION' ? 0.069 0.200 240 ? r_chiral_restr ? ? +'X-RAY DIFFRACTION' ? 0.011 0.020 2447 ? r_gen_planes_refined ? ? +'X-RAY DIFFRACTION' ? 0.007 0.020 456 ? r_gen_planes_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_refined ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_refined ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_refined ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_refined ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_refined ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_refined ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_refined ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_other ? ? +'X-RAY DIFFRACTION' ? 2.631 5.164 971 ? r_mcbond_it ? ? +'X-RAY DIFFRACTION' ? 2.653 5.207 945 ? r_mcbond_other ? ? +'X-RAY DIFFRACTION' ? 4.421 7.774 1192 ? r_mcangle_it ? ? +'X-RAY DIFFRACTION' ? 4.434 7.804 1180 ? r_mcangle_other ? ? +'X-RAY DIFFRACTION' ? 2.293 4.899 1105 ? r_scbond_it ? ? +'X-RAY DIFFRACTION' ? 2.292 4.898 1106 ? r_scbond_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? +'X-RAY DIFFRACTION' ? 3.756 7.282 1666 ? r_scangle_other ? ? +'X-RAY DIFFRACTION' ? 6.087 54.629 2546 ? r_long_range_B_refined ? ? +'X-RAY DIFFRACTION' ? 6.086 54.618 2547 ? r_long_range_B_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_rigid_bond_restr ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_free ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_bonded ? ? +# +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_ls_shell.d_res_high 2.676 +_refine_ls_shell.d_res_low 2.745 +_refine_ls_shell.number_reflns_all ? +_refine_ls_shell.number_reflns_obs ? +_refine_ls_shell.number_reflns_R_free 25 +_refine_ls_shell.number_reflns_R_work 485 +_refine_ls_shell.percent_reflns_obs 80.44 +_refine_ls_shell.percent_reflns_R_free ? +_refine_ls_shell.R_factor_all ? +_refine_ls_shell.R_factor_obs ? +_refine_ls_shell.R_factor_R_free 0.725 +_refine_ls_shell.R_factor_R_free_error ? +_refine_ls_shell.R_factor_R_work 0.545 +_refine_ls_shell.redundancy_reflns_all ? +_refine_ls_shell.redundancy_reflns_obs ? +_refine_ls_shell.wR_factor_all ? +_refine_ls_shell.wR_factor_obs ? +_refine_ls_shell.wR_factor_R_free ? +_refine_ls_shell.wR_factor_R_work ? +_refine_ls_shell.pdbx_total_number_of_bins_used 20 +_refine_ls_shell.pdbx_phase_error ? +_refine_ls_shell.pdbx_fsc_work ? +_refine_ls_shell.pdbx_fsc_free ? +# +_struct.entry_id 6Q9T +_struct.title 'Protein-aromatic foldamer complex crystal structure' +_struct.pdbx_model_details ? +_struct.pdbx_formula_weight ? +_struct.pdbx_formula_weight_method ? +_struct.pdbx_model_type_details ? +_struct.pdbx_CASP_flag N +# +_struct_keywords.entry_id 6Q9T +_struct_keywords.text +;Protein-Foldamer Complex, Protein-Foldamer interactions, Modified Inhibitor, Anchored Foldamer, Quinoline Oligoamide Foldamer, Benzene Sulfonamide modified inhibitor, Lyase-lyase inhibitor complex, lyase +; +_struct_keywords.pdbx_keywords LYASE +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +D N N 4 ? +E N N 4 ? +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_db_isoform +_struct_ref.entity_id +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_align_begin +1 UNP CAH2_HUMAN P00918 ? 1 +;SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKG +GPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVD +VLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMV +DNWRPAQPLKNRQIKASFK +; +2 +2 PDB 6Q9T 6Q9T ? 2 ? 1 +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 6Q9T A 1 ? 259 ? P00918 2 ? 260 ? 2 260 +2 2 6Q9T B 1 ? 16 ? 6Q9T 301 ? 316 ? 301 316 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E +# +_pdbx_struct_assembly_auth_evidence.id 1 +_pdbx_struct_assembly_auth_evidence.assembly_id 1 +_pdbx_struct_assembly_auth_evidence.experimental_support none +_pdbx_struct_assembly_auth_evidence.details ? +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 AA1 GLY A 11 ? TRP A 15 ? GLY A 12 TRP A 16 5 ? 5 +HELX_P HELX_P2 AA2 PHE A 19 ? GLY A 24 ? PHE A 20 GLY A 25 5 ? 6 +HELX_P HELX_P3 AA3 LYS A 125 ? GLY A 127 ? LYS A 126 GLY A 128 5 ? 3 +HELX_P HELX_P4 AA4 ASP A 128 ? VAL A 133 ? ASP A 129 VAL A 134 1 ? 6 +HELX_P HELX_P5 AA5 LYS A 152 ? ASP A 160 ? LYS A 153 ASP A 161 1 ? 9 +HELX_P HELX_P6 AA6 VAL A 161 ? LYS A 166 ? VAL A 162 LYS A 167 5 ? 6 +HELX_P HELX_P7 AA7 ASP A 178 ? LEU A 183 ? ASP A 179 LEU A 184 5 ? 6 +HELX_P HELX_P8 AA8 SER A 217 ? LEU A 222 ? SER A 218 LEU A 223 1 ? 6 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +covale1 covale both ? B 4SO 1 CAH ? ? ? 1_555 B A1IJ4 2 N ? ? B 4SO 301 B A1IJ4 302 1_555 ? ? ? ? ? ? ? 1.339 ? ? +covale2 covale both ? B A1IJ4 2 C ? ? ? 1_555 B QUJ 3 N ? ? B A1IJ4 302 B QUJ 303 1_555 ? ? ? ? ? ? ? 1.345 ? ? +covale3 covale both ? B QUJ 3 C ? ? ? 1_555 B ZY9 4 N ? ? B QUJ 303 B ZY9 304 1_555 ? ? ? ? ? ? ? 1.340 ? ? +covale4 covale both ? B ZY9 4 C ? ? ? 1_555 B QVS 5 N ? ? B ZY9 304 B QVS 305 1_555 ? ? ? ? ? ? ? 1.357 ? ? +covale5 covale both ? B QVS 5 C ? ? ? 1_555 B QUK 6 N ? ? B QVS 305 B QUK 306 1_555 ? ? ? ? ? ? ? 1.366 ? ? +covale6 covale both ? B QUK 6 C ? ? ? 1_555 B ZY9 7 N ? ? B QUK 306 B ZY9 307 1_555 ? ? ? ? ? ? ? 1.356 ? ? +covale7 covale both ? B ZY9 7 C ? ? ? 1_555 B QVE 8 N ? ? B ZY9 307 B QVE 308 1_555 ? ? ? ? ? ? ? 1.396 ? ? +covale8 covale both ? B QVE 8 C ? ? ? 1_555 B ZY9 9 N ? ? B QVE 308 B ZY9 309 1_555 ? ? ? ? ? ? ? 1.385 ? ? +covale9 covale both ? B ZY9 9 C ? ? ? 1_555 B ZY9 10 N ? ? B ZY9 309 B ZY9 310 1_555 ? ? ? ? ? ? ? 1.360 ? ? +covale10 covale both ? B ZY9 10 C ? ? ? 1_555 B QVS 11 N ? ? B ZY9 310 B QVS 311 1_555 ? ? ? ? ? ? ? 1.347 ? ? +covale11 covale both ? B QVS 11 C ? ? ? 1_555 B ZY9 12 N ? ? B QVS 311 B ZY9 312 1_555 ? ? ? ? ? ? ? 1.340 ? ? +covale12 covale both ? B ZY9 12 C ? ? ? 1_555 B QDD 13 N ? ? B ZY9 312 B QDD 313 1_555 ? ? ? ? ? ? ? 1.364 ? ? +covale13 covale both ? B QDD 13 C ? ? ? 1_555 B ZY9 14 N ? ? B QDD 313 B ZY9 314 1_555 ? ? ? ? ? ? ? 1.325 ? ? +covale14 covale both ? B ZY9 14 C ? ? ? 1_555 B QVE 15 N ? ? B ZY9 314 B QVE 315 1_555 ? ? ? ? ? ? ? 1.358 ? ? +covale15 covale both ? B QVE 15 C ? ? ? 1_555 B QUK 16 N ? ? B QVE 315 B QUK 316 1_555 ? ? ? ? ? ? ? 1.348 ? ? +metalc1 metalc ? ? A HIS 93 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 94 A ZN 301 1_555 ? ? ? ? ? ? ? 2.211 ? ? +metalc2 metalc ? ? A HIS 95 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 96 A ZN 301 1_555 ? ? ? ? ? ? ? 2.090 ? ? +metalc3 metalc ? ? A HIS 118 ND1 ? ? ? 1_555 C ZN . ZN ? ? A HIS 119 A ZN 301 1_555 ? ? ? ? ? ? ? 2.136 ? ? +metalc4 metalc ? ? C ZN . ZN ? ? ? 1_555 B 4SO 1 NAG ? ? A ZN 301 B 4SO 301 1_555 ? ? ? ? ? ? ? 2.109 ? ? +# +loop_ +_struct_conn_type.id +_struct_conn_type.criteria +_struct_conn_type.reference +covale ? ? +metalc ? ? +# +loop_ +_pdbx_struct_conn_angle.id +_pdbx_struct_conn_angle.ptnr1_label_atom_id +_pdbx_struct_conn_angle.ptnr1_label_alt_id +_pdbx_struct_conn_angle.ptnr1_label_asym_id +_pdbx_struct_conn_angle.ptnr1_label_comp_id +_pdbx_struct_conn_angle.ptnr1_label_seq_id +_pdbx_struct_conn_angle.ptnr1_auth_atom_id +_pdbx_struct_conn_angle.ptnr1_auth_asym_id +_pdbx_struct_conn_angle.ptnr1_auth_comp_id +_pdbx_struct_conn_angle.ptnr1_auth_seq_id +_pdbx_struct_conn_angle.ptnr1_PDB_ins_code +_pdbx_struct_conn_angle.ptnr1_symmetry +_pdbx_struct_conn_angle.ptnr2_label_atom_id +_pdbx_struct_conn_angle.ptnr2_label_alt_id +_pdbx_struct_conn_angle.ptnr2_label_asym_id +_pdbx_struct_conn_angle.ptnr2_label_comp_id +_pdbx_struct_conn_angle.ptnr2_label_seq_id +_pdbx_struct_conn_angle.ptnr2_auth_atom_id +_pdbx_struct_conn_angle.ptnr2_auth_asym_id +_pdbx_struct_conn_angle.ptnr2_auth_comp_id +_pdbx_struct_conn_angle.ptnr2_auth_seq_id +_pdbx_struct_conn_angle.ptnr2_PDB_ins_code +_pdbx_struct_conn_angle.ptnr2_symmetry +_pdbx_struct_conn_angle.ptnr3_label_atom_id +_pdbx_struct_conn_angle.ptnr3_label_alt_id +_pdbx_struct_conn_angle.ptnr3_label_asym_id +_pdbx_struct_conn_angle.ptnr3_label_comp_id +_pdbx_struct_conn_angle.ptnr3_label_seq_id +_pdbx_struct_conn_angle.ptnr3_auth_atom_id +_pdbx_struct_conn_angle.ptnr3_auth_asym_id +_pdbx_struct_conn_angle.ptnr3_auth_comp_id +_pdbx_struct_conn_angle.ptnr3_auth_seq_id +_pdbx_struct_conn_angle.ptnr3_PDB_ins_code +_pdbx_struct_conn_angle.ptnr3_symmetry +_pdbx_struct_conn_angle.value +_pdbx_struct_conn_angle.value_esd +1 NE2 ? A HIS 93 ? A HIS 94 ? 1_555 ZN ? C ZN . ? A ZN 301 ? 1_555 NE2 ? A HIS 95 ? A HIS 96 ? 1_555 103.3 ? +2 NE2 ? A HIS 93 ? A HIS 94 ? 1_555 ZN ? C ZN . ? A ZN 301 ? 1_555 ND1 ? A HIS 118 ? A HIS 119 ? 1_555 136.6 ? +3 NE2 ? A HIS 95 ? A HIS 96 ? 1_555 ZN ? C ZN . ? A ZN 301 ? 1_555 ND1 ? A HIS 118 ? A HIS 119 ? 1_555 98.5 ? +4 NE2 ? A HIS 93 ? A HIS 94 ? 1_555 ZN ? C ZN . ? A ZN 301 ? 1_555 NAG ? B 4SO 1 ? B 4SO 301 ? 1_555 95.6 ? +5 NE2 ? A HIS 95 ? A HIS 96 ? 1_555 ZN ? C ZN . ? A ZN 301 ? 1_555 NAG ? B 4SO 1 ? B 4SO 301 ? 1_555 111.4 ? +6 ND1 ? A HIS 118 ? A HIS 119 ? 1_555 ZN ? C ZN . ? A ZN 301 ? 1_555 NAG ? B 4SO 1 ? B 4SO 301 ? 1_555 110.7 ? +# +loop_ +_pdbx_modification_feature.ordinal +_pdbx_modification_feature.label_comp_id +_pdbx_modification_feature.label_asym_id +_pdbx_modification_feature.label_seq_id +_pdbx_modification_feature.label_alt_id +_pdbx_modification_feature.modified_residue_label_comp_id +_pdbx_modification_feature.modified_residue_label_asym_id +_pdbx_modification_feature.modified_residue_label_seq_id +_pdbx_modification_feature.modified_residue_label_alt_id +_pdbx_modification_feature.auth_comp_id +_pdbx_modification_feature.auth_asym_id +_pdbx_modification_feature.auth_seq_id +_pdbx_modification_feature.PDB_ins_code +_pdbx_modification_feature.symmetry +_pdbx_modification_feature.modified_residue_auth_comp_id +_pdbx_modification_feature.modified_residue_auth_asym_id +_pdbx_modification_feature.modified_residue_auth_seq_id +_pdbx_modification_feature.modified_residue_PDB_ins_code +_pdbx_modification_feature.modified_residue_symmetry +_pdbx_modification_feature.comp_id_linking_atom +_pdbx_modification_feature.modified_residue_id_linking_atom +_pdbx_modification_feature.modified_residue_id +_pdbx_modification_feature.ref_pcm_id +_pdbx_modification_feature.ref_comp_id +_pdbx_modification_feature.type +_pdbx_modification_feature.category +1 4SO B 1 ? . . . . 4SO B 301 ? 1_555 . . . . . . . ? 1 4SO None 'Non-standard residue' +2 A1IJ4 B 2 ? . . . . A1IJ4 B 302 ? 1_555 . . . . . . . ? 1 A1IJ4 None 'Non-standard residue' +3 QUJ B 3 ? . . . . QUJ B 303 ? 1_555 . . . . . . . ? 1 QUJ None 'Non-standard residue' +4 ZY9 B 4 ? . . . . ZY9 B 304 ? 1_555 . . . . . . . ? 1 ZY9 None 'Non-standard residue' +5 QVS B 5 ? . . . . QVS B 305 ? 1_555 . . . . . . . ? 1 QVS None 'Non-standard residue' +6 QUK B 6 ? . . . . QUK B 306 ? 1_555 . . . . . . . ? 1 QUK None 'Non-standard residue' +7 ZY9 B 7 ? . . . . ZY9 B 307 ? 1_555 . . . . . . . ? 1 ZY9 None 'Non-standard residue' +8 QVE B 8 ? . . . . QVE B 308 ? 1_555 . . . . . . . ? 1 QVE None 'Non-standard residue' +9 ZY9 B 9 ? . . . . ZY9 B 309 ? 1_555 . . . . . . . ? 1 ZY9 None 'Non-standard residue' +10 ZY9 B 10 ? . . . . ZY9 B 310 ? 1_555 . . . . . . . ? 1 ZY9 None 'Non-standard residue' +11 QVS B 11 ? . . . . QVS B 311 ? 1_555 . . . . . . . ? 1 QVS None 'Non-standard residue' +12 ZY9 B 12 ? . . . . ZY9 B 312 ? 1_555 . . . . . . . ? 1 ZY9 None 'Non-standard residue' +13 QDD B 13 ? . . . . QDD B 313 ? 1_555 . . . . . . . ? 1 QDD None 'Non-standard residue' +14 ZY9 B 14 ? . . . . ZY9 B 314 ? 1_555 . . . . . . . ? 1 ZY9 None 'Non-standard residue' +15 QVE B 15 ? . . . . QVE B 315 ? 1_555 . . . . . . . ? 1 QVE None 'Non-standard residue' +16 QUK B 16 ? . . . . QUK B 316 ? 1_555 . . . . . . . ? 1 QUK None 'Non-standard residue' +# +loop_ +_struct_mon_prot_cis.pdbx_id +_struct_mon_prot_cis.label_comp_id +_struct_mon_prot_cis.label_seq_id +_struct_mon_prot_cis.label_asym_id +_struct_mon_prot_cis.label_alt_id +_struct_mon_prot_cis.pdbx_PDB_ins_code +_struct_mon_prot_cis.auth_comp_id +_struct_mon_prot_cis.auth_seq_id +_struct_mon_prot_cis.auth_asym_id +_struct_mon_prot_cis.pdbx_label_comp_id_2 +_struct_mon_prot_cis.pdbx_label_seq_id_2 +_struct_mon_prot_cis.pdbx_label_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 +_struct_mon_prot_cis.pdbx_auth_comp_id_2 +_struct_mon_prot_cis.pdbx_auth_seq_id_2 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_model_num +_struct_mon_prot_cis.pdbx_omega_angle +1 SER 28 A . ? SER 29 A PRO 29 A ? PRO 30 A 1 7.01 +2 PRO 199 A . ? PRO 200 A PRO 200 A ? PRO 201 A 1 2.34 +3 ZY9 4 B . ? ZY9 304 B QVS 5 B ? QVS 305 B 1 20.38 +4 QUK 6 B . ? QUK 306 B ZY9 7 B ? ZY9 307 B 1 21.55 +5 ZY9 9 B . ? ZY9 309 B ZY9 10 B ? ZY9 310 B 1 9.43 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +AA1 ? 6 ? +AA2 ? 8 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +AA1 1 2 ? anti-parallel +AA1 2 3 ? anti-parallel +AA1 3 4 ? anti-parallel +AA1 4 5 ? anti-parallel +AA1 5 6 ? anti-parallel +AA2 1 2 ? anti-parallel +AA2 2 3 ? anti-parallel +AA2 3 4 ? anti-parallel +AA2 4 5 ? anti-parallel +AA2 5 6 ? parallel +AA2 6 7 ? anti-parallel +AA2 7 8 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +AA1 1 LEU A 46 ? SER A 49 ? LEU A 47 SER A 50 +AA1 2 VAL A 77 ? GLY A 80 ? VAL A 78 GLY A 81 +AA1 3 TYR A 87 ? TRP A 96 ? TYR A 88 TRP A 97 +AA1 4 PHE A 65 ? PHE A 69 ? PHE A 66 PHE A 70 +AA1 5 SER A 55 ? ASN A 60 ? SER A 56 ASN A 61 +AA1 6 SER A 171 ? ASP A 173 ? SER A 172 ASP A 174 +AA2 1 LEU A 46 ? SER A 49 ? LEU A 47 SER A 50 +AA2 2 VAL A 77 ? GLY A 80 ? VAL A 78 GLY A 81 +AA2 3 TYR A 87 ? TRP A 96 ? TYR A 88 TRP A 97 +AA2 4 ALA A 115 ? ASN A 123 ? ALA A 116 ASN A 124 +AA2 5 LEU A 139 ? VAL A 148 ? LEU A 140 VAL A 149 +AA2 6 VAL A 205 ? VAL A 216 ? VAL A 206 VAL A 217 +AA2 7 TYR A 189 ? GLY A 194 ? TYR A 190 GLY A 195 +AA2 8 LYS A 255 ? ALA A 256 ? LYS A 256 ALA A 257 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +AA1 1 2 N SER A 49 ? N SER A 50 O VAL A 77 ? O VAL A 78 +AA1 2 3 N LEU A 78 ? N LEU A 79 O TYR A 87 ? O TYR A 88 +AA1 3 4 O ILE A 90 ? O ILE A 91 N PHE A 69 ? N PHE A 70 +AA1 4 5 O ASN A 66 ? O ASN A 67 N LEU A 59 ? N LEU A 60 +AA1 5 6 N ILE A 58 ? N ILE A 59 O ALA A 172 ? O ALA A 173 +AA2 1 2 N SER A 49 ? N SER A 50 O VAL A 77 ? O VAL A 78 +AA2 2 3 N LEU A 78 ? N LEU A 79 O TYR A 87 ? O TYR A 88 +AA2 3 4 N GLN A 91 ? N GLN A 92 O VAL A 120 ? O VAL A 121 +AA2 4 5 N LEU A 117 ? N LEU A 118 O ILE A 144 ? O ILE A 145 +AA2 5 6 N GLY A 143 ? N GLY A 144 O ILE A 208 ? O ILE A 209 +AA2 6 7 O VAL A 205 ? O VAL A 206 N GLY A 194 ? N GLY A 195 +AA2 7 8 N THR A 191 ? N THR A 192 O LYS A 255 ? O LYS A 256 +# +loop_ +_struct_site.id +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +_struct_site.pdbx_num_residues +_struct_site.details +AC1 Software A ZN 301 ? 3 'binding site for residue ZN A 301' +AC3 Software B QUJ 303 ? 3 'binding site for residues QUJ A 303 and ZY9 A 304' +AC4 Software B ZY9 304 ? 6 'binding site for residues ZY9 A 304 and QVS A 305' +AC5 Software B QVS 305 ? 6 'binding site for residues QVS A 305 and QUK A 306' +AC6 Software B QUK 306 ? 8 'binding site for residues QUK A 306 and ZY9 A 307' +AC7 Software B ZY9 307 ? 8 'binding site for residues ZY9 A 307 and QVE A 308' +AC8 Software B QVE 308 ? 7 'binding site for residues QVE A 308 and ZY9 A 309' +AC9 Software B ZY9 309 ? 8 'binding site for residues ZY9 A 309 and ZY9 A 310' +AD1 Software B ZY9 310 ? 8 'binding site for residues ZY9 A 310 and QVS A 311' +AD2 Software B QVS 311 ? 8 'binding site for residues QVS A 311 and ZY9 A 312' +AD3 Software B ZY9 312 ? 7 'binding site for residues ZY9 A 312 and QDD A 313' +AD4 Software B QDD 313 ? 5 'binding site for residues QDD A 313 and ZY9 A 314' +AD5 Software B ZY9 314 ? 10 'binding site for residues ZY9 A 314 and QVE A 315' +AD6 Software B QVE 315 ? 13 'binding site for residues QVE A 315 and QUK A 316' +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 3 HIS A 93 ? HIS A 94 . ? 1_555 ? +2 AC1 3 HIS A 95 ? HIS A 96 . ? 1_555 ? +3 AC1 3 HIS A 118 ? HIS A 119 . ? 1_555 ? +4 AC3 3 QVS B 5 ? QVS B 305 . ? 1_555 ? +5 AC3 3 QUK B 6 ? QUK B 306 . ? 1_555 ? +6 AC3 3 ZY9 B 7 ? ZY9 B 307 . ? 1_555 ? +7 AC4 6 PHE A 19 ? PHE A 20 . ? 1_555 ? +8 AC4 6 QUJ B 3 ? QUJ B 303 . ? 1_555 ? +9 AC4 6 QUJ B 3 ? QUJ B 303 . ? 2_675 ? +10 AC4 6 QUK B 6 ? QUK B 306 . ? 1_555 ? +11 AC4 6 ZY9 B 7 ? ZY9 B 307 . ? 1_555 ? +12 AC4 6 QVE B 8 ? QVE B 308 . ? 1_555 ? +13 AC5 6 PHE A 19 ? PHE A 20 . ? 1_555 ? +14 AC5 6 QUJ B 3 ? QUJ B 303 . ? 1_555 ? +15 AC5 6 ZY9 B 4 ? ZY9 B 304 . ? 1_555 ? +16 AC5 6 ZY9 B 7 ? ZY9 B 307 . ? 1_555 ? +17 AC5 6 QVE B 8 ? QVE B 308 . ? 1_555 ? +18 AC5 6 ZY9 B 9 ? ZY9 B 309 . ? 1_555 ? +19 AC6 8 PHE A 19 ? PHE A 20 . ? 1_555 ? +20 AC6 8 PRO A 200 ? PRO A 201 . ? 1_555 ? +21 AC6 8 QUJ B 3 ? QUJ B 303 . ? 1_555 ? +22 AC6 8 ZY9 B 4 ? ZY9 B 304 . ? 1_555 ? +23 AC6 8 QVS B 5 ? QVS B 305 . ? 1_555 ? +24 AC6 8 QVE B 8 ? QVE B 308 . ? 1_555 ? +25 AC6 8 ZY9 B 9 ? ZY9 B 309 . ? 1_555 ? +26 AC6 8 ZY9 B 10 ? ZY9 B 310 . ? 1_555 ? +27 AC7 8 PHE A 19 ? PHE A 20 . ? 1_555 ? +28 AC7 8 PRO A 200 ? PRO A 201 . ? 1_555 ? +29 AC7 8 ZY9 B 4 ? ZY9 B 304 . ? 1_555 ? +30 AC7 8 QVS B 5 ? QVS B 305 . ? 1_555 ? +31 AC7 8 QUK B 6 ? QUK B 306 . ? 1_555 ? +32 AC7 8 ZY9 B 9 ? ZY9 B 309 . ? 1_555 ? +33 AC7 8 ZY9 B 10 ? ZY9 B 310 . ? 1_555 ? +34 AC7 8 QVS B 11 ? QVS B 311 . ? 1_555 ? +35 AC8 7 GLN A 134 ? GLN A 135 . ? 1_555 ? +36 AC8 7 QVS B 5 ? QVS B 305 . ? 1_555 ? +37 AC8 7 QUK B 6 ? QUK B 306 . ? 1_555 ? +38 AC8 7 ZY9 B 7 ? ZY9 B 307 . ? 1_555 ? +39 AC8 7 ZY9 B 10 ? ZY9 B 310 . ? 1_555 ? +40 AC8 7 QVS B 11 ? QVS B 311 . ? 1_555 ? +41 AC8 7 ZY9 B 12 ? ZY9 B 312 . ? 1_555 ? +42 AC9 8 ASP A 18 ? ASP A 19 . ? 1_555 ? +43 AC9 8 GLN A 134 ? GLN A 135 . ? 1_555 ? +44 AC9 8 QUK B 6 ? QUK B 306 . ? 1_555 ? +45 AC9 8 ZY9 B 7 ? ZY9 B 307 . ? 1_555 ? +46 AC9 8 QVE B 8 ? QVE B 308 . ? 1_555 ? +47 AC9 8 QVS B 11 ? QVS B 311 . ? 1_555 ? +48 AC9 8 ZY9 B 12 ? ZY9 B 312 . ? 1_555 ? +49 AC9 8 QDD B 13 ? QDD B 313 . ? 1_555 ? +50 AD1 8 ASP A 18 ? ASP A 19 . ? 1_555 ? +51 AD1 8 ZY9 B 7 ? ZY9 B 307 . ? 1_555 ? +52 AD1 8 QVE B 8 ? QVE B 308 . ? 1_555 ? +53 AD1 8 ZY9 B 9 ? ZY9 B 309 . ? 1_555 ? +54 AD1 8 ZY9 B 12 ? ZY9 B 312 . ? 1_555 ? +55 AD1 8 QDD B 13 ? QDD B 313 . ? 1_555 ? +56 AD1 8 ZY9 B 14 ? ZY9 B 314 . ? 1_555 ? +57 AD1 8 HOH E . ? HOH B 401 . ? 1_555 ? +58 AD2 8 LEU A 202 ? LEU A 203 . ? 1_555 ? +59 AD2 8 QVE B 8 ? QVE B 308 . ? 1_555 ? +60 AD2 8 ZY9 B 9 ? ZY9 B 309 . ? 1_555 ? +61 AD2 8 ZY9 B 10 ? ZY9 B 310 . ? 1_555 ? +62 AD2 8 QDD B 13 ? QDD B 313 . ? 1_555 ? +63 AD2 8 ZY9 B 14 ? ZY9 B 314 . ? 1_555 ? +64 AD2 8 QVE B 15 ? QVE B 315 . ? 1_555 ? +65 AD2 8 HOH E . ? HOH B 401 . ? 1_555 ? +66 AD3 7 LEU A 202 ? LEU A 203 . ? 1_555 ? +67 AD3 7 ZY9 B 9 ? ZY9 B 309 . ? 1_555 ? +68 AD3 7 ZY9 B 10 ? ZY9 B 310 . ? 1_555 ? +69 AD3 7 QVS B 11 ? QVS B 311 . ? 1_555 ? +70 AD3 7 ZY9 B 14 ? ZY9 B 314 . ? 1_555 ? +71 AD3 7 QVE B 15 ? QVE B 315 . ? 1_555 ? +72 AD3 7 QUK B 16 ? QUK B 316 . ? 1_555 ? +73 AD4 5 ZY9 B 10 ? ZY9 B 310 . ? 1_555 ? +74 AD4 5 QVS B 11 ? QVS B 311 . ? 1_555 ? +75 AD4 5 ZY9 B 12 ? ZY9 B 312 . ? 1_555 ? +76 AD4 5 QVE B 15 ? QVE B 315 . ? 1_555 ? +77 AD4 5 QUK B 16 ? QUK B 316 . ? 1_555 ? +78 AD5 10 PRO A 20 ? PRO A 21 . ? 1_555 ? +79 AD5 10 ILE A 21 ? ILE A 22 . ? 1_555 ? +80 AD5 10 SER A 47 ? SER A 48 . ? 3_544 ? +81 AD5 10 VAL A 48 ? VAL A 49 . ? 3_544 ? +82 AD5 10 SER A 49 ? SER A 50 . ? 3_544 ? +83 AD5 10 LYS A 79 ? LYS A 80 . ? 3_544 ? +84 AD5 10 QVS B 11 ? QVS B 311 . ? 1_555 ? +85 AD5 10 ZY9 B 12 ? ZY9 B 312 . ? 1_555 ? +86 AD5 10 QDD B 13 ? QDD B 313 . ? 1_555 ? +87 AD5 10 QUK B 16 ? QUK B 316 . ? 1_555 ? +88 AD6 13 PRO A 20 ? PRO A 21 . ? 1_555 ? +89 AD6 13 ILE A 21 ? ILE A 22 . ? 1_555 ? +90 AD6 13 SER A 47 ? SER A 48 . ? 3_544 ? +91 AD6 13 VAL A 48 ? VAL A 49 . ? 3_544 ? +92 AD6 13 SER A 49 ? SER A 50 . ? 3_544 ? +93 AD6 13 LYS A 79 ? LYS A 80 . ? 3_544 ? +94 AD6 13 ARG A 180 ? ARG A 181 . ? 3_544 ? +95 AD6 13 PRO A 184 ? PRO A 185 . ? 3_544 ? +96 AD6 13 LEU A 187 ? LEU A 188 . ? 3_544 ? +97 AD6 13 ZY9 B 12 ? ZY9 B 312 . ? 1_555 ? +98 AD6 13 QDD B 13 ? QDD B 313 . ? 1_555 ? +99 AD6 13 ZY9 B 14 ? ZY9 B 314 . ? 1_555 ? +100 AD6 13 HOH E . ? HOH B 402 . ? 1_555 ? +# +_pdbx_entry_details.entry_id 6Q9T +_pdbx_entry_details.compound_details ? +_pdbx_entry_details.source_details ? +_pdbx_entry_details.nonpolymer_details ? +_pdbx_entry_details.sequence_details ? +_pdbx_entry_details.has_ligand_of_interest ? +_pdbx_entry_details.has_protein_modification Y +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 C B A1IJ4 302 ? ? N B QUJ 303 ? ? CA B QUJ 303 ? ? 163.90 121.70 42.20 2.50 Y +2 1 C B QUJ 303 ? ? N B ZY9 304 ? ? CA B ZY9 304 ? ? 163.04 121.70 41.34 2.50 Y +3 1 C B ZY9 304 ? ? N B QVS 305 ? ? CA B QVS 305 ? ? 164.97 121.70 43.27 2.50 Y +4 1 CA B QUK 306 ? ? C B QUK 306 ? ? N B ZY9 307 ? ? 85.47 117.20 -31.73 2.20 Y +5 1 C B QUK 306 ? ? N B ZY9 307 ? ? CA B ZY9 307 ? ? 166.74 121.70 45.04 2.50 Y +6 1 C B ZY9 307 ? ? N B QVE 308 ? ? CA B QVE 308 ? ? 162.77 121.70 41.07 2.50 Y +7 1 C B QVE 308 ? ? N B ZY9 309 ? ? CA B ZY9 309 ? ? 161.23 121.70 39.53 2.50 Y +8 1 C B ZY9 309 ? ? N B ZY9 310 ? ? CA B ZY9 310 ? ? 162.82 121.70 41.12 2.50 Y +9 1 C B ZY9 310 ? ? N B QVS 311 ? ? CA B QVS 311 ? ? 165.70 121.70 44.00 2.50 Y +10 1 C B QVS 311 ? ? N B ZY9 312 ? ? CA B ZY9 312 ? ? 163.37 121.70 41.67 2.50 Y +11 1 C B QDD 313 ? ? N B ZY9 314 ? ? CA B ZY9 314 ? ? 160.12 121.70 38.42 2.50 Y +12 1 C B ZY9 314 ? ? N B QVE 315 ? ? CA B QVE 315 ? ? 159.27 121.70 37.57 2.50 Y +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 PRO A 13 ? ? -33.86 -39.53 +2 1 ILE A 33 ? ? -117.55 78.54 +3 1 LEU A 44 ? ? -55.03 108.08 +4 1 LEU A 57 ? ? -122.21 -62.66 +5 1 HIS A 64 ? ? -137.63 -34.94 +6 1 ALA A 65 ? ? -168.03 -162.17 +7 1 ALA A 77 ? ? -164.11 102.44 +8 1 SER A 99 ? ? -102.44 -68.44 +9 1 ASP A 138 ? ? -98.74 32.01 +10 1 SER A 151 ? ? -43.63 151.21 +11 1 VAL A 159 ? ? -91.17 -71.61 +12 1 PHE A 175 ? ? -162.89 90.50 +13 1 LEU A 188 ? ? -96.62 40.28 +14 1 PRO A 201 ? ? -78.19 24.69 +15 1 LEU A 202 ? ? 47.78 25.16 +16 1 TRP A 244 ? ? -135.67 -159.14 +17 1 LYS A 251 ? ? 49.15 -130.70 +18 1 QUJ B 303 ? ? 16.39 11.34 +19 1 ZY9 B 304 ? ? -30.43 16.28 +20 1 QVS B 305 ? ? -3.18 17.69 +21 1 QUK B 306 ? ? -176.19 20.19 +22 1 ZY9 B 307 ? ? 1.03 11.54 +23 1 QVE B 308 ? ? -22.85 14.65 +24 1 ZY9 B 309 ? ? -21.28 21.97 +25 1 ZY9 B 310 ? ? 7.31 11.12 +26 1 QVS B 311 ? ? -26.40 16.93 +27 1 ZY9 B 312 ? ? -39.68 14.37 +28 1 ZY9 B 314 ? ? -46.17 36.32 +29 1 QVE B 315 ? ? 40.10 17.83 +# +loop_ +_pdbx_validate_peptide_omega.id +_pdbx_validate_peptide_omega.PDB_model_num +_pdbx_validate_peptide_omega.auth_comp_id_1 +_pdbx_validate_peptide_omega.auth_asym_id_1 +_pdbx_validate_peptide_omega.auth_seq_id_1 +_pdbx_validate_peptide_omega.PDB_ins_code_1 +_pdbx_validate_peptide_omega.label_alt_id_1 +_pdbx_validate_peptide_omega.auth_comp_id_2 +_pdbx_validate_peptide_omega.auth_asym_id_2 +_pdbx_validate_peptide_omega.auth_seq_id_2 +_pdbx_validate_peptide_omega.PDB_ins_code_2 +_pdbx_validate_peptide_omega.label_alt_id_2 +_pdbx_validate_peptide_omega.omega +1 1 QUJ B 303 ? ? ZY9 B 304 ? ? 46.32 +2 1 ZY9 B 307 ? ? QVE B 308 ? ? 38.13 +3 1 QVE B 308 ? ? ZY9 B 309 ? ? 33.36 +4 1 ZY9 B 310 ? ? QVS B 311 ? ? 40.08 +5 1 QVS B 311 ? ? ZY9 B 312 ? ? 50.93 +6 1 ZY9 B 314 ? ? QVE B 315 ? ? -35.30 +# +_pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' +_pdbx_refine_tls.id 1 +_pdbx_refine_tls.details ? +_pdbx_refine_tls.method refined +_pdbx_refine_tls.origin_x 21.6470 +_pdbx_refine_tls.origin_y 93.7520 +_pdbx_refine_tls.origin_z -32.1530 +_pdbx_refine_tls.T[1][1] 0.4049 +_pdbx_refine_tls.T[2][2] 0.2932 +_pdbx_refine_tls.T[3][3] 0.0118 +_pdbx_refine_tls.T[1][2] 0.0067 +_pdbx_refine_tls.T[1][3] 0.0054 +_pdbx_refine_tls.T[2][3] 0.0029 +_pdbx_refine_tls.L[1][1] 2.2127 +_pdbx_refine_tls.L[2][2] 3.9027 +_pdbx_refine_tls.L[3][3] 0.1756 +_pdbx_refine_tls.L[1][2] -0.3980 +_pdbx_refine_tls.L[1][3] 0.2305 +_pdbx_refine_tls.L[2][3] -0.5609 +_pdbx_refine_tls.S[1][1] 0.0956 +_pdbx_refine_tls.S[1][2] 0.1791 +_pdbx_refine_tls.S[1][3] -0.0058 +_pdbx_refine_tls.S[2][1] -0.3389 +_pdbx_refine_tls.S[2][2] -0.0765 +_pdbx_refine_tls.S[2][3] -0.0737 +_pdbx_refine_tls.S[3][1] 0.0481 +_pdbx_refine_tls.S[3][2] -0.0330 +_pdbx_refine_tls.S[3][3] -0.0192 +# +_pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' +_pdbx_refine_tls_group.id 1 +_pdbx_refine_tls_group.refine_tls_id 1 +_pdbx_refine_tls_group.beg_auth_asym_id A +_pdbx_refine_tls_group.beg_auth_seq_id 12 +_pdbx_refine_tls_group.beg_label_asym_id ? +_pdbx_refine_tls_group.beg_label_seq_id ? +_pdbx_refine_tls_group.end_auth_asym_id A +_pdbx_refine_tls_group.end_auth_seq_id 260 +_pdbx_refine_tls_group.end_label_asym_id ? +_pdbx_refine_tls_group.end_label_seq_id ? +_pdbx_refine_tls_group.selection ? +_pdbx_refine_tls_group.selection_details ? +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 1 Y 1 A SER 2 ? A SER 1 +2 1 Y 1 A HIS 3 ? A HIS 2 +3 1 Y 1 A HIS 4 ? A HIS 3 +4 1 Y 1 A TRP 5 ? A TRP 4 +5 1 Y 1 A GLY 6 ? A GLY 5 +6 1 Y 1 A TYR 7 ? A TYR 6 +7 1 Y 1 A GLY 8 ? A GLY 7 +8 1 Y 1 A LYS 9 ? A LYS 8 +9 1 Y 1 A HIS 10 ? A HIS 9 +10 1 Y 1 A ASN 11 ? A ASN 10 +11 1 Y 1 A LEU 228 ? A LEU 227 +12 1 Y 1 A ASN 229 ? A ASN 228 +13 1 Y 1 A PHE 230 ? A PHE 229 +14 1 Y 1 A ASN 231 ? A ASN 230 +15 1 Y 1 A GLY 232 ? A GLY 231 +16 1 Y 1 A GLU 233 ? A GLU 232 +17 1 Y 1 A GLY 234 ? A GLY 233 +18 1 Y 1 A GLU 235 ? A GLU 234 +19 1 Y 1 A PRO 236 ? A PRO 235 +20 1 Y 1 A GLU 237 ? A GLU 236 +21 1 Y 1 A GLU 238 ? A GLU 237 +22 1 Y 1 A LEU 239 ? A LEU 238 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +4SO OAA O N N 1 +4SO OAB O N N 2 +4SO CAC C Y N 3 +4SO CAD C Y N 4 +4SO CAE C Y N 5 +4SO SAF S N N 6 +4SO NAG N N N 7 +4SO CAH C N N 8 +4SO CAI C Y N 9 +4SO CAJ C Y N 10 +4SO CAK C Y N 11 +4SO OAL O N N 12 +4SO OAM O N N 13 +4SO HAC H N N 14 +4SO HAD H N N 15 +4SO HNAG H N N 16 +4SO HNAA H N N 17 +4SO HAJ H N N 18 +4SO HAK H N N 19 +4SO HOAM H N N 20 +A1IJ4 O O N N 21 +A1IJ4 C C N N 22 +A1IJ4 C118 C N N 23 +A1IJ4 C119 C N N 24 +A1IJ4 C120 C N N 25 +A1IJ4 C121 C N N 26 +A1IJ4 C122 C Y N 27 +A1IJ4 C123 C Y N 28 +A1IJ4 N31 N N N 29 +A1IJ4 O71 O N N 30 +A1IJ4 C124 C Y N 31 +A1IJ4 C125 C Y N 32 +A1IJ4 C126 C Y N 33 +A1IJ4 C127 C Y N 34 +A1IJ4 C128 C N N 35 +A1IJ4 N N N N 36 +A1IJ4 H1 H N N 37 +A1IJ4 H3 H N N 38 +A1IJ4 H4 H N N 39 +A1IJ4 H5 H N N 40 +A1IJ4 H6 H N N 41 +A1IJ4 H7 H N N 42 +A1IJ4 H8 H N N 43 +A1IJ4 H9 H N N 44 +A1IJ4 H10 H N N 45 +A1IJ4 H11 H N N 46 +A1IJ4 H12 H N N 47 +A1IJ4 H13 H N N 48 +A1IJ4 H14 H N N 49 +A1IJ4 H15 H N N 50 +A1IJ4 H16 H N N 51 +A1IJ4 H H N N 52 +A1IJ4 H2 H N N 53 +A1IJ4 OXT O N N 54 +A1IJ4 HXT H N N 55 +ALA N N N N 56 +ALA CA C N S 57 +ALA C C N N 58 +ALA O O N N 59 +ALA CB C N N 60 +ALA OXT O N N 61 +ALA H H N N 62 +ALA H2 H N N 63 +ALA HA H N N 64 +ALA HB1 H N N 65 +ALA HB2 H N N 66 +ALA HB3 H N N 67 +ALA HXT H N N 68 +ARG N N N N 69 +ARG CA C N S 70 +ARG C C N N 71 +ARG O O N N 72 +ARG CB C N N 73 +ARG CG C N N 74 +ARG CD C N N 75 +ARG NE N N N 76 +ARG CZ C N N 77 +ARG NH1 N N N 78 +ARG NH2 N N N 79 +ARG OXT O N N 80 +ARG H H N N 81 +ARG H2 H N N 82 +ARG HA H N N 83 +ARG HB2 H N N 84 +ARG HB3 H N N 85 +ARG HG2 H N N 86 +ARG HG3 H N N 87 +ARG HD2 H N N 88 +ARG HD3 H N N 89 +ARG HE H N N 90 +ARG HH11 H N N 91 +ARG HH12 H N N 92 +ARG HH21 H N N 93 +ARG HH22 H N N 94 +ARG HXT H N N 95 +ASN N N N N 96 +ASN CA C N S 97 +ASN C C N N 98 +ASN O O N N 99 +ASN CB C N N 100 +ASN CG C N N 101 +ASN OD1 O N N 102 +ASN ND2 N N N 103 +ASN OXT O N N 104 +ASN H H N N 105 +ASN H2 H N N 106 +ASN HA H N N 107 +ASN HB2 H N N 108 +ASN HB3 H N N 109 +ASN HD21 H N N 110 +ASN HD22 H N N 111 +ASN HXT H N N 112 +ASP N N N N 113 +ASP CA C N S 114 +ASP C C N N 115 +ASP O O N N 116 +ASP CB C N N 117 +ASP CG C N N 118 +ASP OD1 O N N 119 +ASP OD2 O N N 120 +ASP OXT O N N 121 +ASP H H N N 122 +ASP H2 H N N 123 +ASP HA H N N 124 +ASP HB2 H N N 125 +ASP HB3 H N N 126 +ASP HD2 H N N 127 +ASP HXT H N N 128 +CYS N N N N 129 +CYS CA C N R 130 +CYS C C N N 131 +CYS O O N N 132 +CYS CB C N N 133 +CYS SG S N N 134 +CYS OXT O N N 135 +CYS H H N N 136 +CYS H2 H N N 137 +CYS HA H N N 138 +CYS HB2 H N N 139 +CYS HB3 H N N 140 +CYS HG H N N 141 +CYS HXT H N N 142 +GLN N N N N 143 +GLN CA C N S 144 +GLN C C N N 145 +GLN O O N N 146 +GLN CB C N N 147 +GLN CG C N N 148 +GLN CD C N N 149 +GLN OE1 O N N 150 +GLN NE2 N N N 151 +GLN OXT O N N 152 +GLN H H N N 153 +GLN H2 H N N 154 +GLN HA H N N 155 +GLN HB2 H N N 156 +GLN HB3 H N N 157 +GLN HG2 H N N 158 +GLN HG3 H N N 159 +GLN HE21 H N N 160 +GLN HE22 H N N 161 +GLN HXT H N N 162 +GLU N N N N 163 +GLU CA C N S 164 +GLU C C N N 165 +GLU O O N N 166 +GLU CB C N N 167 +GLU CG C N N 168 +GLU CD C N N 169 +GLU OE1 O N N 170 +GLU OE2 O N N 171 +GLU OXT O N N 172 +GLU H H N N 173 +GLU H2 H N N 174 +GLU HA H N N 175 +GLU HB2 H N N 176 +GLU HB3 H N N 177 +GLU HG2 H N N 178 +GLU HG3 H N N 179 +GLU HE2 H N N 180 +GLU HXT H N N 181 +GLY N N N N 182 +GLY CA C N N 183 +GLY C C N N 184 +GLY O O N N 185 +GLY OXT O N N 186 +GLY H H N N 187 +GLY H2 H N N 188 +GLY HA2 H N N 189 +GLY HA3 H N N 190 +GLY HXT H N N 191 +HIS N N N N 192 +HIS CA C N S 193 +HIS C C N N 194 +HIS O O N N 195 +HIS CB C N N 196 +HIS CG C Y N 197 +HIS ND1 N Y N 198 +HIS CD2 C Y N 199 +HIS CE1 C Y N 200 +HIS NE2 N Y N 201 +HIS OXT O N N 202 +HIS H H N N 203 +HIS H2 H N N 204 +HIS HA H N N 205 +HIS HB2 H N N 206 +HIS HB3 H N N 207 +HIS HD1 H N N 208 +HIS HD2 H N N 209 +HIS HE1 H N N 210 +HIS HE2 H N N 211 +HIS HXT H N N 212 +HOH O O N N 213 +HOH H1 H N N 214 +HOH H2 H N N 215 +ILE N N N N 216 +ILE CA C N S 217 +ILE C C N N 218 +ILE O O N N 219 +ILE CB C N S 220 +ILE CG1 C N N 221 +ILE CG2 C N N 222 +ILE CD1 C N N 223 +ILE OXT O N N 224 +ILE H H N N 225 +ILE H2 H N N 226 +ILE HA H N N 227 +ILE HB H N N 228 +ILE HG12 H N N 229 +ILE HG13 H N N 230 +ILE HG21 H N N 231 +ILE HG22 H N N 232 +ILE HG23 H N N 233 +ILE HD11 H N N 234 +ILE HD12 H N N 235 +ILE HD13 H N N 236 +ILE HXT H N N 237 +LEU N N N N 238 +LEU CA C N S 239 +LEU C C N N 240 +LEU O O N N 241 +LEU CB C N N 242 +LEU CG C N N 243 +LEU CD1 C N N 244 +LEU CD2 C N N 245 +LEU OXT O N N 246 +LEU H H N N 247 +LEU H2 H N N 248 +LEU HA H N N 249 +LEU HB2 H N N 250 +LEU HB3 H N N 251 +LEU HG H N N 252 +LEU HD11 H N N 253 +LEU HD12 H N N 254 +LEU HD13 H N N 255 +LEU HD21 H N N 256 +LEU HD22 H N N 257 +LEU HD23 H N N 258 +LEU HXT H N N 259 +LYS N N N N 260 +LYS CA C N S 261 +LYS C C N N 262 +LYS O O N N 263 +LYS CB C N N 264 +LYS CG C N N 265 +LYS CD C N N 266 +LYS CE C N N 267 +LYS NZ N N N 268 +LYS OXT O N N 269 +LYS H H N N 270 +LYS H2 H N N 271 +LYS HA H N N 272 +LYS HB2 H N N 273 +LYS HB3 H N N 274 +LYS HG2 H N N 275 +LYS HG3 H N N 276 +LYS HD2 H N N 277 +LYS HD3 H N N 278 +LYS HE2 H N N 279 +LYS HE3 H N N 280 +LYS HZ1 H N N 281 +LYS HZ2 H N N 282 +LYS HZ3 H N N 283 +LYS HXT H N N 284 +MET N N N N 285 +MET CA C N S 286 +MET C C N N 287 +MET O O N N 288 +MET CB C N N 289 +MET CG C N N 290 +MET SD S N N 291 +MET CE C N N 292 +MET OXT O N N 293 +MET H H N N 294 +MET H2 H N N 295 +MET HA H N N 296 +MET HB2 H N N 297 +MET HB3 H N N 298 +MET HG2 H N N 299 +MET HG3 H N N 300 +MET HE1 H N N 301 +MET HE2 H N N 302 +MET HE3 H N N 303 +MET HXT H N N 304 +PHE N N N N 305 +PHE CA C N S 306 +PHE C C N N 307 +PHE O O N N 308 +PHE CB C N N 309 +PHE CG C Y N 310 +PHE CD1 C Y N 311 +PHE CD2 C Y N 312 +PHE CE1 C Y N 313 +PHE CE2 C Y N 314 +PHE CZ C Y N 315 +PHE OXT O N N 316 +PHE H H N N 317 +PHE H2 H N N 318 +PHE HA H N N 319 +PHE HB2 H N N 320 +PHE HB3 H N N 321 +PHE HD1 H N N 322 +PHE HD2 H N N 323 +PHE HE1 H N N 324 +PHE HE2 H N N 325 +PHE HZ H N N 326 +PHE HXT H N N 327 +PRO N N N N 328 +PRO CA C N S 329 +PRO C C N N 330 +PRO O O N N 331 +PRO CB C N N 332 +PRO CG C N N 333 +PRO CD C N N 334 +PRO OXT O N N 335 +PRO H H N N 336 +PRO HA H N N 337 +PRO HB2 H N N 338 +PRO HB3 H N N 339 +PRO HG2 H N N 340 +PRO HG3 H N N 341 +PRO HD2 H N N 342 +PRO HD3 H N N 343 +PRO HXT H N N 344 +QDD OD1 O N N 345 +QDD CG C N N 346 +QDD OD2 O N N 347 +QDD CB C N N 348 +QDD C8 C Y N 349 +QDD C9 C Y N 350 +QDD C10 C Y N 351 +QDD C C N N 352 +QDD O O N N 353 +QDD N11 N Y N 354 +QDD C7 C Y N 355 +QDD C6 C Y N 356 +QDD C5 C Y N 357 +QDD C4 C Y N 358 +QDD C3 C Y N 359 +QDD C2 C Y N 360 +QDD N N N N 361 +QDD H1 H N N 362 +QDD H5 H N N 363 +QDD H3 H N N 364 +QDD H4 H N N 365 +QDD H6 H N N 366 +QDD H7 H N N 367 +QDD H8 H N N 368 +QDD H H N N 369 +QDD H2 H N N 370 +QDD OXT O N N 371 +QDD HXT H N N 372 +QUJ C2 C Y N 373 +QUJ C3 C Y N 374 +QUJ C4 C Y N 375 +QUJ C5 C Y N 376 +QUJ C6 C Y N 377 +QUJ C8 C Y N 378 +QUJ C9 C Y N 379 +QUJ CA C Y N 380 +QUJ O O N N 381 +QUJ C C N N 382 +QUJ N11 N Y N 383 +QUJ C7 C Y N 384 +QUJ N N N N 385 +QUJ OB O N N 386 +QUJ CG C N N 387 +QUJ CD C N N 388 +QUJ CE2 C N N 389 +QUJ CE1 C N N 390 +QUJ H1 H N N 391 +QUJ H5 H N N 392 +QUJ H3 H N N 393 +QUJ H4 H N N 394 +QUJ H H N N 395 +QUJ H2 H N N 396 +QUJ H8 H N N 397 +QUJ H9 H N N 398 +QUJ H10 H N N 399 +QUJ H11 H N N 400 +QUJ H12 H N N 401 +QUJ H13 H N N 402 +QUJ H14 H N N 403 +QUJ H15 H N N 404 +QUJ H16 H N N 405 +QUJ OXT O N N 406 +QUJ HXT H N N 407 +QUK O O N N 408 +QUK C C N N 409 +QUK C10 C Y N 410 +QUK N11 N Y N 411 +QUK C7 C Y N 412 +QUK CA C Y N 413 +QUK N N N N 414 +QUK C9 C Y N 415 +QUK C8 C Y N 416 +QUK C6 C Y N 417 +QUK C5 C Y N 418 +QUK C4 C Y N 419 +QUK C3 C Y N 420 +QUK OB O N N 421 +QUK CG C N N 422 +QUK CD C N N 423 +QUK CE C N N 424 +QUK OXT O N N 425 +QUK H H N N 426 +QUK H2 H N N 427 +QUK H3 H N N 428 +QUK H4 H N N 429 +QUK H5 H N N 430 +QUK H6 H N N 431 +QUK H7 H N N 432 +QUK H8 H N N 433 +QUK H9 H N N 434 +QUK H10 H N N 435 +QUK H11 H N N 436 +QUK H12 H N N 437 +QUK HXT H N N 438 +QUK N1 N N N 439 +QUK H13 H N N 440 +QUK H15 H N N 441 +QVE O O N N 442 +QVE C C N N 443 +QVE CA C Y N 444 +QVE N11 N Y N 445 +QVE C7 C Y N 446 +QVE C2 C Y N 447 +QVE N N N N 448 +QVE C9 C Y N 449 +QVE C8 C Y N 450 +QVE OB O N N 451 +QVE CG C N N 452 +QVE CD C N N 453 +QVE OE2 O N N 454 +QVE OE1 O N N 455 +QVE C6 C Y N 456 +QVE C5 C Y N 457 +QVE C4 C Y N 458 +QVE C3 C Y N 459 +QVE H2 H N N 460 +QVE H H N N 461 +QVE H4 H N N 462 +QVE H5 H N N 463 +QVE H6 H N N 464 +QVE H7 H N N 465 +QVE H8 H N N 466 +QVE H9 H N N 467 +QVE H10 H N N 468 +QVE OXT O N N 469 +QVE HXT H N N 470 +QVS OB O N N 471 +QVS C8 C Y N 472 +QVS C9 C Y N 473 +QVS CA C Y N 474 +QVS C C N N 475 +QVS O O N N 476 +QVS N11 N Y N 477 +QVS C7 C Y N 478 +QVS C6 C Y N 479 +QVS C5 C Y N 480 +QVS C4 C Y N 481 +QVS C3 C Y N 482 +QVS C2 C Y N 483 +QVS N N N N 484 +QVS H1 H N N 485 +QVS H3 H N N 486 +QVS H4 H N N 487 +QVS H5 H N N 488 +QVS H6 H N N 489 +QVS H H N N 490 +QVS H2 H N N 491 +QVS OXT O N N 492 +QVS HXT H N N 493 +SER N N N N 494 +SER CA C N S 495 +SER C C N N 496 +SER O O N N 497 +SER CB C N N 498 +SER OG O N N 499 +SER OXT O N N 500 +SER H H N N 501 +SER H2 H N N 502 +SER HA H N N 503 +SER HB2 H N N 504 +SER HB3 H N N 505 +SER HG H N N 506 +SER HXT H N N 507 +THR N N N N 508 +THR CA C N S 509 +THR C C N N 510 +THR O O N N 511 +THR CB C N R 512 +THR OG1 O N N 513 +THR CG2 C N N 514 +THR OXT O N N 515 +THR H H N N 516 +THR H2 H N N 517 +THR HA H N N 518 +THR HB H N N 519 +THR HG1 H N N 520 +THR HG21 H N N 521 +THR HG22 H N N 522 +THR HG23 H N N 523 +THR HXT H N N 524 +TRP N N N N 525 +TRP CA C N S 526 +TRP C C N N 527 +TRP O O N N 528 +TRP CB C N N 529 +TRP CG C Y N 530 +TRP CD1 C Y N 531 +TRP CD2 C Y N 532 +TRP NE1 N Y N 533 +TRP CE2 C Y N 534 +TRP CE3 C Y N 535 +TRP CZ2 C Y N 536 +TRP CZ3 C Y N 537 +TRP CH2 C Y N 538 +TRP OXT O N N 539 +TRP H H N N 540 +TRP H2 H N N 541 +TRP HA H N N 542 +TRP HB2 H N N 543 +TRP HB3 H N N 544 +TRP HD1 H N N 545 +TRP HE1 H N N 546 +TRP HE3 H N N 547 +TRP HZ2 H N N 548 +TRP HZ3 H N N 549 +TRP HH2 H N N 550 +TRP HXT H N N 551 +TYR N N N N 552 +TYR CA C N S 553 +TYR C C N N 554 +TYR O O N N 555 +TYR CB C N N 556 +TYR CG C Y N 557 +TYR CD1 C Y N 558 +TYR CD2 C Y N 559 +TYR CE1 C Y N 560 +TYR CE2 C Y N 561 +TYR CZ C Y N 562 +TYR OH O N N 563 +TYR OXT O N N 564 +TYR H H N N 565 +TYR H2 H N N 566 +TYR HA H N N 567 +TYR HB2 H N N 568 +TYR HB3 H N N 569 +TYR HD1 H N N 570 +TYR HD2 H N N 571 +TYR HE1 H N N 572 +TYR HE2 H N N 573 +TYR HH H N N 574 +TYR HXT H N N 575 +VAL N N N N 576 +VAL CA C N S 577 +VAL C C N N 578 +VAL O O N N 579 +VAL CB C N N 580 +VAL CG1 C N N 581 +VAL CG2 C N N 582 +VAL OXT O N N 583 +VAL H H N N 584 +VAL H2 H N N 585 +VAL HA H N N 586 +VAL HB H N N 587 +VAL HG11 H N N 588 +VAL HG12 H N N 589 +VAL HG13 H N N 590 +VAL HG21 H N N 591 +VAL HG22 H N N 592 +VAL HG23 H N N 593 +VAL HXT H N N 594 +ZN ZN ZN N N 595 +ZY9 O O N N 596 +ZY9 C C N N 597 +ZY9 CA C Y N 598 +ZY9 N11 N Y N 599 +ZY9 C9 C Y N 600 +ZY9 C8 C Y N 601 +ZY9 C6 C Y N 602 +ZY9 C7 C Y N 603 +ZY9 C2 C N N 604 +ZY9 N N N N 605 +ZY9 OXT O N N 606 +ZY9 H1 H N N 607 +ZY9 H6 H N N 608 +ZY9 H3 H N N 609 +ZY9 H4 H N N 610 +ZY9 H5 H N N 611 +ZY9 H H N N 612 +ZY9 H2 H N N 613 +ZY9 HXT H N N 614 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +4SO SAF OAA doub N N 1 +4SO OAB CAH doub N N 2 +4SO CAI CAC doub Y N 3 +4SO CAC CAD sing Y N 4 +4SO CAC HAC sing N N 5 +4SO CAE CAD doub Y N 6 +4SO CAD HAD sing N N 7 +4SO CAK CAE sing Y N 8 +4SO CAE SAF sing N N 9 +4SO OAL SAF doub N N 10 +4SO NAG SAF sing N N 11 +4SO NAG HNAG sing N N 12 +4SO NAG HNAA sing N N 13 +4SO CAH CAI sing N N 14 +4SO CAH OAM sing N N 15 +4SO CAJ CAI sing Y N 16 +4SO CAJ CAK doub Y N 17 +4SO CAJ HAJ sing N N 18 +4SO CAK HAK sing N N 19 +4SO OAM HOAM sing N N 20 +A1IJ4 N C128 sing N N 21 +A1IJ4 C128 C127 sing N N 22 +A1IJ4 O C doub N N 23 +A1IJ4 C127 C126 doub Y N 24 +A1IJ4 C127 C124 sing Y N 25 +A1IJ4 C N31 sing N N 26 +A1IJ4 C126 C125 sing Y N 27 +A1IJ4 C124 C122 doub Y N 28 +A1IJ4 C118 N31 sing N N 29 +A1IJ4 C118 C119 sing N N 30 +A1IJ4 C125 C123 doub Y N 31 +A1IJ4 C121 O71 sing N N 32 +A1IJ4 C121 C120 sing N N 33 +A1IJ4 C122 C123 sing Y N 34 +A1IJ4 C122 O71 sing N N 35 +A1IJ4 C120 C119 sing N N 36 +A1IJ4 C118 H1 sing N N 37 +A1IJ4 C118 H3 sing N N 38 +A1IJ4 C119 H4 sing N N 39 +A1IJ4 C119 H5 sing N N 40 +A1IJ4 C120 H6 sing N N 41 +A1IJ4 C120 H7 sing N N 42 +A1IJ4 C121 H8 sing N N 43 +A1IJ4 C121 H9 sing N N 44 +A1IJ4 C123 H10 sing N N 45 +A1IJ4 N31 H11 sing N N 46 +A1IJ4 C124 H12 sing N N 47 +A1IJ4 C125 H13 sing N N 48 +A1IJ4 C126 H14 sing N N 49 +A1IJ4 C128 H15 sing N N 50 +A1IJ4 C128 H16 sing N N 51 +A1IJ4 N H sing N N 52 +A1IJ4 N H2 sing N N 53 +A1IJ4 C OXT sing N N 54 +A1IJ4 OXT HXT sing N N 55 +ALA N CA sing N N 56 +ALA N H sing N N 57 +ALA N H2 sing N N 58 +ALA CA C sing N N 59 +ALA CA CB sing N N 60 +ALA CA HA sing N N 61 +ALA C O doub N N 62 +ALA C OXT sing N N 63 +ALA CB HB1 sing N N 64 +ALA CB HB2 sing N N 65 +ALA CB HB3 sing N N 66 +ALA OXT HXT sing N N 67 +ARG N CA sing N N 68 +ARG N H sing N N 69 +ARG N H2 sing N N 70 +ARG CA C sing N N 71 +ARG CA CB sing N N 72 +ARG CA HA sing N N 73 +ARG C O doub N N 74 +ARG C OXT sing N N 75 +ARG CB CG sing N N 76 +ARG CB HB2 sing N N 77 +ARG CB HB3 sing N N 78 +ARG CG CD sing N N 79 +ARG CG HG2 sing N N 80 +ARG CG HG3 sing N N 81 +ARG CD NE sing N N 82 +ARG CD HD2 sing N N 83 +ARG CD HD3 sing N N 84 +ARG NE CZ sing N N 85 +ARG NE HE sing N N 86 +ARG CZ NH1 sing N N 87 +ARG CZ NH2 doub N N 88 +ARG NH1 HH11 sing N N 89 +ARG NH1 HH12 sing N N 90 +ARG NH2 HH21 sing N N 91 +ARG NH2 HH22 sing N N 92 +ARG OXT HXT sing N N 93 +ASN N CA sing N N 94 +ASN N H sing N N 95 +ASN N H2 sing N N 96 +ASN CA C sing N N 97 +ASN CA CB sing N N 98 +ASN CA HA sing N N 99 +ASN C O doub N N 100 +ASN C OXT sing N N 101 +ASN CB CG sing N N 102 +ASN CB HB2 sing N N 103 +ASN CB HB3 sing N N 104 +ASN CG OD1 doub N N 105 +ASN CG ND2 sing N N 106 +ASN ND2 HD21 sing N N 107 +ASN ND2 HD22 sing N N 108 +ASN OXT HXT sing N N 109 +ASP N CA sing N N 110 +ASP N H sing N N 111 +ASP N H2 sing N N 112 +ASP CA C sing N N 113 +ASP CA CB sing N N 114 +ASP CA HA sing N N 115 +ASP C O doub N N 116 +ASP C OXT sing N N 117 +ASP CB CG sing N N 118 +ASP CB HB2 sing N N 119 +ASP CB HB3 sing N N 120 +ASP CG OD1 doub N N 121 +ASP CG OD2 sing N N 122 +ASP OD2 HD2 sing N N 123 +ASP OXT HXT sing N N 124 +CYS N CA sing N N 125 +CYS N H sing N N 126 +CYS N H2 sing N N 127 +CYS CA C sing N N 128 +CYS CA CB sing N N 129 +CYS CA HA sing N N 130 +CYS C O doub N N 131 +CYS C OXT sing N N 132 +CYS CB SG sing N N 133 +CYS CB HB2 sing N N 134 +CYS CB HB3 sing N N 135 +CYS SG HG sing N N 136 +CYS OXT HXT sing N N 137 +GLN N CA sing N N 138 +GLN N H sing N N 139 +GLN N H2 sing N N 140 +GLN CA C sing N N 141 +GLN CA CB sing N N 142 +GLN CA HA sing N N 143 +GLN C O doub N N 144 +GLN C OXT sing N N 145 +GLN CB CG sing N N 146 +GLN CB HB2 sing N N 147 +GLN CB HB3 sing N N 148 +GLN CG CD sing N N 149 +GLN CG HG2 sing N N 150 +GLN CG HG3 sing N N 151 +GLN CD OE1 doub N N 152 +GLN CD NE2 sing N N 153 +GLN NE2 HE21 sing N N 154 +GLN NE2 HE22 sing N N 155 +GLN OXT HXT sing N N 156 +GLU N CA sing N N 157 +GLU N H sing N N 158 +GLU N H2 sing N N 159 +GLU CA C sing N N 160 +GLU CA CB sing N N 161 +GLU CA HA sing N N 162 +GLU C O doub N N 163 +GLU C OXT sing N N 164 +GLU CB CG sing N N 165 +GLU CB HB2 sing N N 166 +GLU CB HB3 sing N N 167 +GLU CG CD sing N N 168 +GLU CG HG2 sing N N 169 +GLU CG HG3 sing N N 170 +GLU CD OE1 doub N N 171 +GLU CD OE2 sing N N 172 +GLU OE2 HE2 sing N N 173 +GLU OXT HXT sing N N 174 +GLY N CA sing N N 175 +GLY N H sing N N 176 +GLY N H2 sing N N 177 +GLY CA C sing N N 178 +GLY CA HA2 sing N N 179 +GLY CA HA3 sing N N 180 +GLY C O doub N N 181 +GLY C OXT sing N N 182 +GLY OXT HXT sing N N 183 +HIS N CA sing N N 184 +HIS N H sing N N 185 +HIS N H2 sing N N 186 +HIS CA C sing N N 187 +HIS CA CB sing N N 188 +HIS CA HA sing N N 189 +HIS C O doub N N 190 +HIS C OXT sing N N 191 +HIS CB CG sing N N 192 +HIS CB HB2 sing N N 193 +HIS CB HB3 sing N N 194 +HIS CG ND1 sing Y N 195 +HIS CG CD2 doub Y N 196 +HIS ND1 CE1 doub Y N 197 +HIS ND1 HD1 sing N N 198 +HIS CD2 NE2 sing Y N 199 +HIS CD2 HD2 sing N N 200 +HIS CE1 NE2 sing Y N 201 +HIS CE1 HE1 sing N N 202 +HIS NE2 HE2 sing N N 203 +HIS OXT HXT sing N N 204 +HOH O H1 sing N N 205 +HOH O H2 sing N N 206 +ILE N CA sing N N 207 +ILE N H sing N N 208 +ILE N H2 sing N N 209 +ILE CA C sing N N 210 +ILE CA CB sing N N 211 +ILE CA HA sing N N 212 +ILE C O doub N N 213 +ILE C OXT sing N N 214 +ILE CB CG1 sing N N 215 +ILE CB CG2 sing N N 216 +ILE CB HB sing N N 217 +ILE CG1 CD1 sing N N 218 +ILE CG1 HG12 sing N N 219 +ILE CG1 HG13 sing N N 220 +ILE CG2 HG21 sing N N 221 +ILE CG2 HG22 sing N N 222 +ILE CG2 HG23 sing N N 223 +ILE CD1 HD11 sing N N 224 +ILE CD1 HD12 sing N N 225 +ILE CD1 HD13 sing N N 226 +ILE OXT HXT sing N N 227 +LEU N CA sing N N 228 +LEU N H sing N N 229 +LEU N H2 sing N N 230 +LEU CA C sing N N 231 +LEU CA CB sing N N 232 +LEU CA HA sing N N 233 +LEU C O doub N N 234 +LEU C OXT sing N N 235 +LEU CB CG sing N N 236 +LEU CB HB2 sing N N 237 +LEU CB HB3 sing N N 238 +LEU CG CD1 sing N N 239 +LEU CG CD2 sing N N 240 +LEU CG HG sing N N 241 +LEU CD1 HD11 sing N N 242 +LEU CD1 HD12 sing N N 243 +LEU CD1 HD13 sing N N 244 +LEU CD2 HD21 sing N N 245 +LEU CD2 HD22 sing N N 246 +LEU CD2 HD23 sing N N 247 +LEU OXT HXT sing N N 248 +LYS N CA sing N N 249 +LYS N H sing N N 250 +LYS N H2 sing N N 251 +LYS CA C sing N N 252 +LYS CA CB sing N N 253 +LYS CA HA sing N N 254 +LYS C O doub N N 255 +LYS C OXT sing N N 256 +LYS CB CG sing N N 257 +LYS CB HB2 sing N N 258 +LYS CB HB3 sing N N 259 +LYS CG CD sing N N 260 +LYS CG HG2 sing N N 261 +LYS CG HG3 sing N N 262 +LYS CD CE sing N N 263 +LYS CD HD2 sing N N 264 +LYS CD HD3 sing N N 265 +LYS CE NZ sing N N 266 +LYS CE HE2 sing N N 267 +LYS CE HE3 sing N N 268 +LYS NZ HZ1 sing N N 269 +LYS NZ HZ2 sing N N 270 +LYS NZ HZ3 sing N N 271 +LYS OXT HXT sing N N 272 +MET N CA sing N N 273 +MET N H sing N N 274 +MET N H2 sing N N 275 +MET CA C sing N N 276 +MET CA CB sing N N 277 +MET CA HA sing N N 278 +MET C O doub N N 279 +MET C OXT sing N N 280 +MET CB CG sing N N 281 +MET CB HB2 sing N N 282 +MET CB HB3 sing N N 283 +MET CG SD sing N N 284 +MET CG HG2 sing N N 285 +MET CG HG3 sing N N 286 +MET SD CE sing N N 287 +MET CE HE1 sing N N 288 +MET CE HE2 sing N N 289 +MET CE HE3 sing N N 290 +MET OXT HXT sing N N 291 +PHE N CA sing N N 292 +PHE N H sing N N 293 +PHE N H2 sing N N 294 +PHE CA C sing N N 295 +PHE CA CB sing N N 296 +PHE CA HA sing N N 297 +PHE C O doub N N 298 +PHE C OXT sing N N 299 +PHE CB CG sing N N 300 +PHE CB HB2 sing N N 301 +PHE CB HB3 sing N N 302 +PHE CG CD1 doub Y N 303 +PHE CG CD2 sing Y N 304 +PHE CD1 CE1 sing Y N 305 +PHE CD1 HD1 sing N N 306 +PHE CD2 CE2 doub Y N 307 +PHE CD2 HD2 sing N N 308 +PHE CE1 CZ doub Y N 309 +PHE CE1 HE1 sing N N 310 +PHE CE2 CZ sing Y N 311 +PHE CE2 HE2 sing N N 312 +PHE CZ HZ sing N N 313 +PHE OXT HXT sing N N 314 +PRO N CA sing N N 315 +PRO N CD sing N N 316 +PRO N H sing N N 317 +PRO CA C sing N N 318 +PRO CA CB sing N N 319 +PRO CA HA sing N N 320 +PRO C O doub N N 321 +PRO C OXT sing N N 322 +PRO CB CG sing N N 323 +PRO CB HB2 sing N N 324 +PRO CB HB3 sing N N 325 +PRO CG CD sing N N 326 +PRO CG HG2 sing N N 327 +PRO CG HG3 sing N N 328 +PRO CD HD2 sing N N 329 +PRO CD HD3 sing N N 330 +PRO OXT HXT sing N N 331 +QDD OD1 CG doub N N 332 +QDD C3 C4 doub Y N 333 +QDD C3 C2 sing Y N 334 +QDD N C2 sing N N 335 +QDD OD2 CG sing N N 336 +QDD C4 C5 sing Y N 337 +QDD C2 C7 doub Y N 338 +QDD CG CB sing N N 339 +QDD C5 C6 doub Y N 340 +QDD C7 C6 sing Y N 341 +QDD C7 N11 sing Y N 342 +QDD C6 C8 sing Y N 343 +QDD N11 C10 doub Y N 344 +QDD C10 C9 sing Y N 345 +QDD C10 C sing N N 346 +QDD C8 C9 doub Y N 347 +QDD C8 CB sing N N 348 +QDD C O doub N N 349 +QDD OD2 H1 sing N N 350 +QDD CB H5 sing N N 351 +QDD CB H3 sing N N 352 +QDD C9 H4 sing N N 353 +QDD C5 H6 sing N N 354 +QDD C4 H7 sing N N 355 +QDD C3 H8 sing N N 356 +QDD N H sing N N 357 +QDD N H2 sing N N 358 +QDD C OXT sing N N 359 +QDD OXT HXT sing N N 360 +QUJ C4 C3 doub Y N 361 +QUJ C4 C5 sing Y N 362 +QUJ C3 C2 sing Y N 363 +QUJ CE1 CD sing N N 364 +QUJ C5 C6 doub Y N 365 +QUJ C2 N sing N N 366 +QUJ C2 C7 doub Y N 367 +QUJ C6 C7 sing Y N 368 +QUJ C6 C8 sing Y N 369 +QUJ C7 N11 sing Y N 370 +QUJ OB C8 sing N N 371 +QUJ OB CG sing N N 372 +QUJ C8 C9 doub Y N 373 +QUJ N11 CA doub Y N 374 +QUJ C9 CA sing Y N 375 +QUJ CA C sing N N 376 +QUJ CG CD sing N N 377 +QUJ CD CE2 sing N N 378 +QUJ C O doub N N 379 +QUJ C3 H1 sing N N 380 +QUJ C4 H5 sing N N 381 +QUJ C5 H3 sing N N 382 +QUJ C9 H4 sing N N 383 +QUJ N H sing N N 384 +QUJ N H2 sing N N 385 +QUJ CG H8 sing N N 386 +QUJ CG H9 sing N N 387 +QUJ CD H10 sing N N 388 +QUJ CE2 H11 sing N N 389 +QUJ CE2 H12 sing N N 390 +QUJ CE2 H13 sing N N 391 +QUJ CE1 H14 sing N N 392 +QUJ CE1 H15 sing N N 393 +QUJ CE1 H16 sing N N 394 +QUJ C OXT sing N N 395 +QUJ OXT HXT sing N N 396 +QUK O C doub N N 397 +QUK C C10 sing N N 398 +QUK C10 C9 doub Y N 399 +QUK C10 N11 sing Y N 400 +QUK C9 C8 sing Y N 401 +QUK N11 C7 doub Y N 402 +QUK C8 OB sing N N 403 +QUK C8 C6 doub Y N 404 +QUK CE CD sing N N 405 +QUK C7 C6 sing Y N 406 +QUK C7 CA sing Y N 407 +QUK CG OB sing N N 408 +QUK CG CD sing N N 409 +QUK N CA sing N N 410 +QUK C6 C5 sing Y N 411 +QUK CA C3 doub Y N 412 +QUK C5 C4 doub Y N 413 +QUK C3 C4 sing Y N 414 +QUK C OXT sing N N 415 +QUK N H sing N N 416 +QUK N H2 sing N N 417 +QUK C9 H3 sing N N 418 +QUK C5 H4 sing N N 419 +QUK C4 H5 sing N N 420 +QUK C3 H6 sing N N 421 +QUK CG H7 sing N N 422 +QUK CG H8 sing N N 423 +QUK CD H9 sing N N 424 +QUK CD H10 sing N N 425 +QUK CE H11 sing N N 426 +QUK CE H12 sing N N 427 +QUK OXT HXT sing N N 428 +QUK CE N1 sing N N 429 +QUK N1 H13 sing N N 430 +QUK N1 H15 sing N N 431 +QVE N C2 sing N N 432 +QVE O C doub N N 433 +QVE C2 C3 doub Y N 434 +QVE C2 C7 sing Y N 435 +QVE N11 C7 doub Y N 436 +QVE N11 CA sing Y N 437 +QVE C CA sing N N 438 +QVE C3 C4 sing Y N 439 +QVE C7 C6 sing Y N 440 +QVE CA C9 doub Y N 441 +QVE C4 C5 doub Y N 442 +QVE C6 C5 sing Y N 443 +QVE C6 C8 doub Y N 444 +QVE C9 C8 sing Y N 445 +QVE C8 OB sing N N 446 +QVE CG OB sing N N 447 +QVE CG CD sing N N 448 +QVE OE2 CD doub N N 449 +QVE CD OE1 sing N N 450 +QVE N H2 sing N N 451 +QVE N H sing N N 452 +QVE C9 H4 sing N N 453 +QVE CG H5 sing N N 454 +QVE CG H6 sing N N 455 +QVE OE1 H7 sing N N 456 +QVE C5 H8 sing N N 457 +QVE C4 H9 sing N N 458 +QVE C3 H10 sing N N 459 +QVE C OXT sing N N 460 +QVE OXT HXT sing N N 461 +QVS OB C8 sing N N 462 +QVS C8 C9 doub Y N 463 +QVS C8 C6 sing Y N 464 +QVS C5 C6 doub Y N 465 +QVS C5 C4 sing Y N 466 +QVS C9 CA sing Y N 467 +QVS C6 C7 sing Y N 468 +QVS C4 C3 doub Y N 469 +QVS CA N11 doub Y N 470 +QVS CA C sing N N 471 +QVS C7 N11 sing Y N 472 +QVS C7 C2 doub Y N 473 +QVS C3 C2 sing Y N 474 +QVS O C doub N N 475 +QVS C2 N sing N N 476 +QVS OB H1 sing N N 477 +QVS C9 H3 sing N N 478 +QVS C5 H4 sing N N 479 +QVS C4 H5 sing N N 480 +QVS C3 H6 sing N N 481 +QVS N H sing N N 482 +QVS N H2 sing N N 483 +QVS C OXT sing N N 484 +QVS OXT HXT sing N N 485 +SER N CA sing N N 486 +SER N H sing N N 487 +SER N H2 sing N N 488 +SER CA C sing N N 489 +SER CA CB sing N N 490 +SER CA HA sing N N 491 +SER C O doub N N 492 +SER C OXT sing N N 493 +SER CB OG sing N N 494 +SER CB HB2 sing N N 495 +SER CB HB3 sing N N 496 +SER OG HG sing N N 497 +SER OXT HXT sing N N 498 +THR N CA sing N N 499 +THR N H sing N N 500 +THR N H2 sing N N 501 +THR CA C sing N N 502 +THR CA CB sing N N 503 +THR CA HA sing N N 504 +THR C O doub N N 505 +THR C OXT sing N N 506 +THR CB OG1 sing N N 507 +THR CB CG2 sing N N 508 +THR CB HB sing N N 509 +THR OG1 HG1 sing N N 510 +THR CG2 HG21 sing N N 511 +THR CG2 HG22 sing N N 512 +THR CG2 HG23 sing N N 513 +THR OXT HXT sing N N 514 +TRP N CA sing N N 515 +TRP N H sing N N 516 +TRP N H2 sing N N 517 +TRP CA C sing N N 518 +TRP CA CB sing N N 519 +TRP CA HA sing N N 520 +TRP C O doub N N 521 +TRP C OXT sing N N 522 +TRP CB CG sing N N 523 +TRP CB HB2 sing N N 524 +TRP CB HB3 sing N N 525 +TRP CG CD1 doub Y N 526 +TRP CG CD2 sing Y N 527 +TRP CD1 NE1 sing Y N 528 +TRP CD1 HD1 sing N N 529 +TRP CD2 CE2 doub Y N 530 +TRP CD2 CE3 sing Y N 531 +TRP NE1 CE2 sing Y N 532 +TRP NE1 HE1 sing N N 533 +TRP CE2 CZ2 sing Y N 534 +TRP CE3 CZ3 doub Y N 535 +TRP CE3 HE3 sing N N 536 +TRP CZ2 CH2 doub Y N 537 +TRP CZ2 HZ2 sing N N 538 +TRP CZ3 CH2 sing Y N 539 +TRP CZ3 HZ3 sing N N 540 +TRP CH2 HH2 sing N N 541 +TRP OXT HXT sing N N 542 +TYR N CA sing N N 543 +TYR N H sing N N 544 +TYR N H2 sing N N 545 +TYR CA C sing N N 546 +TYR CA CB sing N N 547 +TYR CA HA sing N N 548 +TYR C O doub N N 549 +TYR C OXT sing N N 550 +TYR CB CG sing N N 551 +TYR CB HB2 sing N N 552 +TYR CB HB3 sing N N 553 +TYR CG CD1 doub Y N 554 +TYR CG CD2 sing Y N 555 +TYR CD1 CE1 sing Y N 556 +TYR CD1 HD1 sing N N 557 +TYR CD2 CE2 doub Y N 558 +TYR CD2 HD2 sing N N 559 +TYR CE1 CZ doub Y N 560 +TYR CE1 HE1 sing N N 561 +TYR CE2 CZ sing Y N 562 +TYR CE2 HE2 sing N N 563 +TYR CZ OH sing N N 564 +TYR OH HH sing N N 565 +TYR OXT HXT sing N N 566 +VAL N CA sing N N 567 +VAL N H sing N N 568 +VAL N H2 sing N N 569 +VAL CA C sing N N 570 +VAL CA CB sing N N 571 +VAL CA HA sing N N 572 +VAL C O doub N N 573 +VAL C OXT sing N N 574 +VAL CB CG1 sing N N 575 +VAL CB CG2 sing N N 576 +VAL CB HB sing N N 577 +VAL CG1 HG11 sing N N 578 +VAL CG1 HG12 sing N N 579 +VAL CG1 HG13 sing N N 580 +VAL CG2 HG21 sing N N 581 +VAL CG2 HG22 sing N N 582 +VAL CG2 HG23 sing N N 583 +VAL OXT HXT sing N N 584 +ZY9 N C2 sing N N 585 +ZY9 C2 C7 sing N N 586 +ZY9 C6 C7 doub Y N 587 +ZY9 C6 C8 sing Y N 588 +ZY9 C7 N11 sing Y N 589 +ZY9 C8 C9 doub Y N 590 +ZY9 N11 CA doub Y N 591 +ZY9 C9 CA sing Y N 592 +ZY9 CA C sing N N 593 +ZY9 C O doub N N 594 +ZY9 C OXT sing N N 595 +ZY9 C9 H1 sing N N 596 +ZY9 C8 H6 sing N N 597 +ZY9 C6 H3 sing N N 598 +ZY9 C2 H4 sing N N 599 +ZY9 C2 H5 sing N N 600 +ZY9 N H sing N N 601 +ZY9 N H2 sing N N 602 +ZY9 OXT HXT sing N N 603 +# +_pdbx_initial_refinement_model.id 1 +_pdbx_initial_refinement_model.entity_id_list ? +_pdbx_initial_refinement_model.type 'experimental model' +_pdbx_initial_refinement_model.source_name PDB +_pdbx_initial_refinement_model.accession_code 3KS3 +_pdbx_initial_refinement_model.details ? +# +_atom_sites.entry_id 6Q9T +_atom_sites.fract_transf_matrix[1][1] 0.012610 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] -0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.012352 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] -0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.021920 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +N +O +S +ZN +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . GLY A 1 11 ? 29.396 77.381 -41.328 1.00 106.85 ? 12 GLY A N 1 +ATOM 2 C CA . GLY A 1 11 ? 28.496 78.571 -41.229 1.00 109.26 ? 12 GLY A CA 1 +ATOM 3 C C . GLY A 1 11 ? 27.108 78.216 -40.688 1.00 112.30 ? 12 GLY A C 1 +ATOM 4 O O . GLY A 1 11 ? 26.870 77.074 -40.288 1.00 110.12 ? 12 GLY A O 1 +ATOM 5 N N . PRO A 1 12 ? 26.154 79.186 -40.677 1.00 117.78 ? 13 PRO A N 1 +ATOM 6 C CA . PRO A 1 12 ? 24.851 79.047 -40.004 1.00 118.93 ? 13 PRO A CA 1 +ATOM 7 C C . PRO A 1 12 ? 24.133 77.681 -39.933 1.00 123.62 ? 13 PRO A C 1 +ATOM 8 O O . PRO A 1 12 ? 23.539 77.403 -38.882 1.00 124.57 ? 13 PRO A O 1 +ATOM 9 C CB . PRO A 1 12 ? 24.009 80.057 -40.802 1.00 117.60 ? 13 PRO A CB 1 +ATOM 10 C CG . PRO A 1 12 ? 24.974 81.201 -41.055 1.00 117.54 ? 13 PRO A CG 1 +ATOM 11 C CD . PRO A 1 12 ? 26.319 80.530 -41.267 1.00 118.73 ? 13 PRO A CD 1 +ATOM 12 N N . GLU A 1 13 ? 24.166 76.877 -41.006 1.00 131.54 ? 14 GLU A N 1 +ATOM 13 C CA . GLU A 1 13 ? 23.530 75.525 -41.062 1.00 134.84 ? 14 GLU A CA 1 +ATOM 14 C C . GLU A 1 13 ? 24.199 74.585 -40.037 1.00 136.71 ? 14 GLU A C 1 +ATOM 15 O O . GLU A 1 13 ? 23.491 73.695 -39.510 1.00 140.86 ? 14 GLU A O 1 +ATOM 16 C CB . GLU A 1 13 ? 23.586 74.941 -42.482 1.00 132.38 ? 14 GLU A CB 1 +ATOM 17 N N . HIS A 1 14 ? 25.499 74.771 -39.759 1.00 134.22 ? 15 HIS A N 1 +ATOM 18 C CA . HIS A 1 14 ? 26.333 73.895 -38.883 1.00 131.66 ? 15 HIS A CA 1 +ATOM 19 C C . HIS A 1 14 ? 26.753 74.660 -37.616 1.00 123.75 ? 15 HIS A C 1 +ATOM 20 O O . HIS A 1 14 ? 27.910 74.477 -37.142 1.00 122.78 ? 15 HIS A O 1 +ATOM 21 C CB . HIS A 1 14 ? 27.536 73.341 -39.669 1.00 135.53 ? 15 HIS A CB 1 +ATOM 22 C CG . HIS A 1 14 ? 27.190 72.881 -41.045 1.00 138.92 ? 15 HIS A CG 1 +ATOM 23 N ND1 . HIS A 1 14 ? 26.071 72.105 -41.301 1.00 139.73 ? 15 HIS A ND1 1 +ATOM 24 C CD2 . HIS A 1 14 ? 27.794 73.091 -42.235 1.00 141.74 ? 15 HIS A CD2 1 +ATOM 25 C CE1 . HIS A 1 14 ? 26.001 71.855 -42.591 1.00 143.74 ? 15 HIS A CE1 1 +ATOM 26 N NE2 . HIS A 1 14 ? 27.051 72.447 -43.186 1.00 147.19 ? 15 HIS A NE2 1 +ATOM 27 N N . TRP A 1 15 ? 25.849 75.487 -37.081 1.00 112.31 ? 16 TRP A N 1 +ATOM 28 C CA . TRP A 1 15 ? 26.031 76.183 -35.781 1.00 103.43 ? 16 TRP A CA 1 +ATOM 29 C C . TRP A 1 15 ? 25.593 75.230 -34.664 1.00 100.71 ? 16 TRP A C 1 +ATOM 30 O O . TRP A 1 15 ? 26.324 75.112 -33.682 1.00 98.19 ? 16 TRP A O 1 +ATOM 31 C CB . TRP A 1 15 ? 25.291 77.534 -35.777 1.00 96.22 ? 16 TRP A CB 1 +ATOM 32 C CG . TRP A 1 15 ? 26.040 78.633 -36.479 1.00 90.45 ? 16 TRP A CG 1 +ATOM 33 C CD1 . TRP A 1 15 ? 27.302 78.555 -37.001 1.00 88.91 ? 16 TRP A CD1 1 +ATOM 34 C CD2 . TRP A 1 15 ? 25.615 79.997 -36.696 1.00 83.77 ? 16 TRP A CD2 1 +ATOM 35 N NE1 . TRP A 1 15 ? 27.676 79.756 -37.543 1.00 85.85 ? 16 TRP A NE1 1 +ATOM 36 C CE2 . TRP A 1 15 ? 26.664 80.661 -37.370 1.00 83.65 ? 16 TRP A CE2 1 +ATOM 37 C CE3 . TRP A 1 15 ? 24.457 80.724 -36.401 1.00 81.82 ? 16 TRP A CE3 1 +ATOM 38 C CZ2 . TRP A 1 15 ? 26.584 82.003 -37.750 1.00 83.16 ? 16 TRP A CZ2 1 +ATOM 39 C CZ3 . TRP A 1 15 ? 24.382 82.054 -36.763 1.00 81.54 ? 16 TRP A CZ3 1 +ATOM 40 C CH2 . TRP A 1 15 ? 25.431 82.684 -37.433 1.00 81.95 ? 16 TRP A CH2 1 +ATOM 41 N N . HIS A 1 16 ? 24.487 74.512 -34.866 1.00 102.45 ? 17 HIS A N 1 +ATOM 42 C CA . HIS A 1 16 ? 23.947 73.481 -33.937 1.00 105.84 ? 17 HIS A CA 1 +ATOM 43 C C . HIS A 1 16 ? 25.033 72.476 -33.500 1.00 104.47 ? 17 HIS A C 1 +ATOM 44 O O . HIS A 1 16 ? 24.842 71.857 -32.426 1.00 110.77 ? 17 HIS A O 1 +ATOM 45 C CB . HIS A 1 16 ? 22.720 72.779 -34.549 1.00 110.11 ? 17 HIS A CB 1 +ATOM 46 C CG . HIS A 1 16 ? 23.018 72.065 -35.821 1.00 118.62 ? 17 HIS A CG 1 +ATOM 47 N ND1 . HIS A 1 16 ? 24.028 71.123 -35.917 1.00 123.60 ? 17 HIS A ND1 1 +ATOM 48 C CD2 . HIS A 1 16 ? 22.464 72.160 -37.050 1.00 125.41 ? 17 HIS A CD2 1 +ATOM 49 C CE1 . HIS A 1 16 ? 24.088 70.670 -37.154 1.00 131.39 ? 17 HIS A CE1 1 +ATOM 50 N NE2 . HIS A 1 16 ? 23.131 71.288 -37.872 1.00 132.71 ? 17 HIS A NE2 1 +ATOM 51 N N . LYS A 1 17 ? 26.110 72.270 -34.272 1.00 98.90 ? 18 LYS A N 1 +ATOM 52 C CA . LYS A 1 17 ? 27.211 71.360 -33.850 1.00 94.75 ? 18 LYS A CA 1 +ATOM 53 C C . LYS A 1 17 ? 27.894 71.851 -32.575 1.00 91.81 ? 18 LYS A C 1 +ATOM 54 O O . LYS A 1 17 ? 27.728 71.188 -31.519 1.00 90.07 ? 18 LYS A O 1 +ATOM 55 C CB . LYS A 1 17 ? 28.311 71.210 -34.904 1.00 94.20 ? 18 LYS A CB 1 +ATOM 56 N N . ASP A 1 18 ? 28.564 73.006 -32.663 1.00 90.11 ? 19 ASP A N 1 +ATOM 57 C CA . ASP A 1 18 ? 29.447 73.555 -31.593 1.00 88.22 ? 19 ASP A CA 1 +ATOM 58 C C . ASP A 1 18 ? 28.580 74.301 -30.560 1.00 80.62 ? 19 ASP A C 1 +ATOM 59 O O . ASP A 1 18 ? 29.060 74.411 -29.383 1.00 77.21 ? 19 ASP A O 1 +ATOM 60 C CB . ASP A 1 18 ? 30.538 74.479 -32.139 1.00 93.30 ? 19 ASP A CB 1 +ATOM 61 C CG . ASP A 1 18 ? 31.530 73.800 -33.075 1.00 99.25 ? 19 ASP A CG 1 +ATOM 62 O OD1 . ASP A 1 18 ? 31.230 72.672 -33.546 1.00 103.48 ? 19 ASP A OD1 1 +ATOM 63 O OD2 . ASP A 1 18 ? 32.593 74.411 -33.338 1.00 101.08 ? 19 ASP A OD2 1 +ATOM 64 N N . PHE A 1 19 ? 27.374 74.769 -30.957 1.00 76.59 ? 20 PHE A N 1 +ATOM 65 C CA . PHE A 1 19 ? 26.456 75.639 -30.163 1.00 71.60 ? 20 PHE A CA 1 +ATOM 66 C C . PHE A 1 19 ? 25.027 75.111 -30.198 1.00 69.40 ? 20 PHE A C 1 +ATOM 67 O O . PHE A 1 19 ? 24.189 75.594 -30.951 1.00 68.65 ? 20 PHE A O 1 +ATOM 68 C CB . PHE A 1 19 ? 26.463 77.067 -30.709 1.00 69.94 ? 20 PHE A CB 1 +ATOM 69 C CG . PHE A 1 19 ? 27.769 77.783 -30.520 1.00 69.29 ? 20 PHE A CG 1 +ATOM 70 C CD1 . PHE A 1 19 ? 28.776 77.658 -31.458 1.00 70.63 ? 20 PHE A CD1 1 +ATOM 71 C CD2 . PHE A 1 19 ? 28.006 78.530 -29.374 1.00 70.30 ? 20 PHE A CD2 1 +ATOM 72 C CE1 . PHE A 1 19 ? 29.996 78.282 -31.263 1.00 72.82 ? 20 PHE A CE1 1 +ATOM 73 C CE2 . PHE A 1 19 ? 29.225 79.161 -29.178 1.00 70.75 ? 20 PHE A CE2 1 +ATOM 74 C CZ . PHE A 1 19 ? 30.214 79.039 -30.129 1.00 74.32 ? 20 PHE A CZ 1 +ATOM 75 N N . PRO A 1 20 ? 24.689 74.108 -29.376 1.00 69.43 ? 21 PRO A N 1 +ATOM 76 C CA . PRO A 1 20 ? 23.362 73.497 -29.440 1.00 71.79 ? 21 PRO A CA 1 +ATOM 77 C C . PRO A 1 20 ? 22.202 74.331 -28.860 1.00 73.66 ? 21 PRO A C 1 +ATOM 78 O O . PRO A 1 20 ? 21.039 73.876 -28.966 1.00 76.05 ? 21 PRO A O 1 +ATOM 79 C CB . PRO A 1 20 ? 23.528 72.165 -28.694 1.00 72.63 ? 21 PRO A CB 1 +ATOM 80 C CG . PRO A 1 20 ? 24.785 72.321 -27.853 1.00 72.46 ? 21 PRO A CG 1 +ATOM 81 C CD . PRO A 1 20 ? 25.602 73.446 -28.443 1.00 70.95 ? 21 PRO A CD 1 +ATOM 82 N N . ILE A 1 21 ? 22.480 75.524 -28.303 1.00 70.64 ? 22 ILE A N 1 +ATOM 83 C CA . ILE A 1 21 ? 21.404 76.508 -27.972 1.00 66.90 ? 22 ILE A CA 1 +ATOM 84 C C . ILE A 1 21 ? 20.701 76.853 -29.290 1.00 66.98 ? 22 ILE A C 1 +ATOM 85 O O . ILE A 1 21 ? 19.528 77.244 -29.240 1.00 65.87 ? 22 ILE A O 1 +ATOM 86 C CB . ILE A 1 21 ? 21.946 77.747 -27.225 1.00 67.29 ? 22 ILE A CB 1 +ATOM 87 C CG1 . ILE A 1 21 ? 20.845 78.642 -26.644 1.00 64.82 ? 22 ILE A CG1 1 +ATOM 88 C CG2 . ILE A 1 21 ? 22.880 78.562 -28.111 1.00 70.03 ? 22 ILE A CG2 1 +ATOM 89 C CD1 . ILE A 1 21 ? 19.982 77.980 -25.609 1.00 65.01 ? 22 ILE A CD1 1 +ATOM 90 N N . ALA A 1 22 ? 21.373 76.638 -30.430 1.00 67.56 ? 23 ALA A N 1 +ATOM 91 C CA . ALA A 1 22 ? 20.890 77.002 -31.785 1.00 68.26 ? 23 ALA A CA 1 +ATOM 92 C C . ALA A 1 22 ? 19.528 76.357 -32.117 1.00 70.78 ? 23 ALA A C 1 +ATOM 93 O O . ALA A 1 22 ? 18.759 76.950 -32.894 1.00 69.84 ? 23 ALA A O 1 +ATOM 94 C CB . ALA A 1 22 ? 21.945 76.642 -32.788 1.00 67.55 ? 23 ALA A CB 1 +ATOM 95 N N . LYS A 1 23 ? 19.204 75.192 -31.552 1.00 74.85 ? 24 LYS A N 1 +ATOM 96 C CA . LYS A 1 23 ? 17.885 74.534 -31.769 1.00 77.14 ? 24 LYS A CA 1 +ATOM 97 C C . LYS A 1 23 ? 16.949 74.939 -30.621 1.00 78.20 ? 24 LYS A C 1 +ATOM 98 O O . LYS A 1 23 ? 15.940 74.246 -30.407 1.00 84.72 ? 24 LYS A O 1 +ATOM 99 C CB . LYS A 1 23 ? 18.054 73.012 -31.886 1.00 76.54 ? 24 LYS A CB 1 +ATOM 100 N N . GLY A 1 24 ? 17.266 76.024 -29.909 1.00 76.42 ? 25 GLY A N 1 +ATOM 101 C CA . GLY A 1 24 ? 16.557 76.444 -28.680 1.00 75.78 ? 25 GLY A CA 1 +ATOM 102 C C . GLY A 1 24 ? 15.172 77.024 -28.967 1.00 74.17 ? 25 GLY A C 1 +ATOM 103 O O . GLY A 1 24 ? 14.798 77.216 -30.173 1.00 72.62 ? 25 GLY A O 1 +ATOM 104 N N . GLU A 1 25 ? 14.437 77.318 -27.893 1.00 72.16 ? 26 GLU A N 1 +ATOM 105 C CA . GLU A 1 25 ? 13.002 77.687 -27.965 1.00 74.90 ? 26 GLU A CA 1 +ATOM 106 C C . GLU A 1 25 ? 12.822 79.216 -28.114 1.00 73.39 ? 26 GLU A C 1 +ATOM 107 O O . GLU A 1 25 ? 11.640 79.626 -28.250 1.00 72.31 ? 26 GLU A O 1 +ATOM 108 C CB . GLU A 1 25 ? 12.274 77.086 -26.755 1.00 77.43 ? 26 GLU A CB 1 +ATOM 109 C CG . GLU A 1 25 ? 11.745 75.672 -27.007 1.00 79.35 ? 26 GLU A CG 1 +ATOM 110 N N . ARG A 1 26 ? 13.926 80.000 -28.157 1.00 71.21 ? 27 ARG A N 1 +ATOM 111 C CA . ARG A 1 26 ? 13.969 81.496 -28.183 1.00 68.38 ? 27 ARG A CA 1 +ATOM 112 C C . ARG A 1 26 ? 15.039 82.048 -29.140 1.00 63.49 ? 27 ARG A C 1 +ATOM 113 O O . ARG A 1 26 ? 15.674 83.047 -28.806 1.00 61.03 ? 27 ARG A O 1 +ATOM 114 C CB . ARG A 1 26 ? 14.338 82.045 -26.804 1.00 71.54 ? 27 ARG A CB 1 +ATOM 115 C CG . ARG A 1 26 ? 13.164 82.281 -25.875 1.00 78.47 ? 27 ARG A CG 1 +ATOM 116 C CD . ARG A 1 26 ? 13.657 83.019 -24.648 1.00 85.40 ? 27 ARG A CD 1 +ATOM 117 N NE . ARG A 1 26 ? 13.685 82.159 -23.473 1.00 91.43 ? 27 ARG A NE 1 +ATOM 118 C CZ . ARG A 1 26 ? 14.539 82.280 -22.460 1.00 97.43 ? 27 ARG A CZ 1 +ATOM 119 N NH1 . ARG A 1 26 ? 15.472 83.221 -22.469 1.00 96.95 ? 27 ARG A NH1 1 +ATOM 120 N NH2 . ARG A 1 26 ? 14.464 81.443 -21.438 1.00 103.36 ? 27 ARG A NH2 1 +ATOM 121 N N . GLN A 1 27 ? 15.257 81.466 -30.309 1.00 63.06 ? 28 GLN A N 1 +ATOM 122 C CA . GLN A 1 27 ? 16.400 81.895 -31.154 1.00 60.95 ? 28 GLN A CA 1 +ATOM 123 C C . GLN A 1 27 ? 15.954 83.064 -32.022 1.00 58.67 ? 28 GLN A C 1 +ATOM 124 O O . GLN A 1 27 ? 14.767 83.227 -32.163 1.00 57.95 ? 28 GLN A O 1 +ATOM 125 C CB . GLN A 1 27 ? 16.936 80.695 -31.916 1.00 62.22 ? 28 GLN A CB 1 +ATOM 126 C CG . GLN A 1 27 ? 17.678 79.732 -31.005 1.00 63.13 ? 28 GLN A CG 1 +ATOM 127 C CD . GLN A 1 27 ? 19.007 80.288 -30.562 1.00 64.21 ? 28 GLN A CD 1 +ATOM 128 O OE1 . GLN A 1 27 ? 19.818 80.712 -31.387 1.00 67.12 ? 28 GLN A OE1 1 +ATOM 129 N NE2 . GLN A 1 27 ? 19.239 80.289 -29.255 1.00 61.95 ? 28 GLN A NE2 1 +ATOM 130 N N . SER A 1 28 ? 16.900 83.862 -32.519 1.00 60.37 ? 29 SER A N 1 +ATOM 131 C CA . SER A 1 28 ? 16.694 85.093 -33.340 1.00 61.57 ? 29 SER A CA 1 +ATOM 132 C C . SER A 1 28 ? 17.587 85.060 -34.584 1.00 59.62 ? 29 SER A C 1 +ATOM 133 O O . SER A 1 28 ? 18.669 84.484 -34.531 1.00 57.14 ? 29 SER A O 1 +ATOM 134 C CB . SER A 1 28 ? 16.998 86.296 -32.491 1.00 61.46 ? 29 SER A CB 1 +ATOM 135 O OG . SER A 1 28 ? 16.257 86.252 -31.283 1.00 62.03 ? 29 SER A OG 1 +ATOM 136 N N . PRO A 1 29 ? 17.236 85.694 -35.733 1.00 61.20 ? 30 PRO A N 1 +ATOM 137 C CA . PRO A 1 29 ? 16.080 86.581 -35.882 1.00 60.98 ? 30 PRO A CA 1 +ATOM 138 C C . PRO A 1 29 ? 14.793 85.843 -36.199 1.00 62.37 ? 30 PRO A C 1 +ATOM 139 O O . PRO A 1 29 ? 14.893 84.687 -36.401 1.00 64.44 ? 30 PRO A O 1 +ATOM 140 C CB . PRO A 1 29 ? 16.433 87.371 -37.140 1.00 60.42 ? 30 PRO A CB 1 +ATOM 141 C CG . PRO A 1 29 ? 17.109 86.335 -37.980 1.00 61.78 ? 30 PRO A CG 1 +ATOM 142 C CD . PRO A 1 29 ? 17.981 85.586 -37.001 1.00 61.17 ? 30 PRO A CD 1 +ATOM 143 N N . VAL A 1 30 ? 13.674 86.555 -36.287 1.00 65.96 ? 31 VAL A N 1 +ATOM 144 C CA . VAL A 1 30 ? 12.337 85.968 -36.613 1.00 72.13 ? 31 VAL A CA 1 +ATOM 145 C C . VAL A 1 30 ? 11.683 86.790 -37.728 1.00 76.46 ? 31 VAL A C 1 +ATOM 146 O O . VAL A 1 30 ? 12.079 87.951 -37.920 1.00 79.27 ? 31 VAL A O 1 +ATOM 147 C CB . VAL A 1 30 ? 11.422 85.851 -35.373 1.00 71.17 ? 31 VAL A CB 1 +ATOM 148 C CG1 . VAL A 1 30 ? 12.013 84.877 -34.370 1.00 70.05 ? 31 VAL A CG1 1 +ATOM 149 C CG2 . VAL A 1 30 ? 11.116 87.188 -34.712 1.00 71.04 ? 31 VAL A CG2 1 +ATOM 150 N N . ASP A 1 31 ? 10.753 86.188 -38.466 1.00 81.17 ? 32 ASP A N 1 +ATOM 151 C CA . ASP A 1 31 ? 9.873 86.943 -39.385 1.00 86.07 ? 32 ASP A CA 1 +ATOM 152 C C . ASP A 1 31 ? 8.800 87.618 -38.522 1.00 85.47 ? 32 ASP A C 1 +ATOM 153 O O . ASP A 1 31 ? 8.454 87.048 -37.461 1.00 83.48 ? 32 ASP A O 1 +ATOM 154 C CB . ASP A 1 31 ? 9.297 86.053 -40.487 1.00 93.09 ? 32 ASP A CB 1 +ATOM 155 C CG . ASP A 1 31 ? 8.520 86.845 -41.527 1.00 98.87 ? 32 ASP A CG 1 +ATOM 156 O OD1 . ASP A 1 31 ? 9.131 87.748 -42.157 1.00 99.66 ? 32 ASP A OD1 1 +ATOM 157 O OD2 . ASP A 1 31 ? 7.301 86.591 -41.666 1.00 105.26 ? 32 ASP A OD2 1 +ATOM 158 N N . ILE A 1 32 ? 8.328 88.798 -38.944 1.00 85.38 ? 33 ILE A N 1 +ATOM 159 C CA . ILE A 1 32 ? 7.306 89.603 -38.220 1.00 84.36 ? 33 ILE A CA 1 +ATOM 160 C C . ILE A 1 32 ? 6.079 89.723 -39.112 1.00 90.68 ? 33 ILE A C 1 +ATOM 161 O O . ILE A 1 32 ? 5.919 90.775 -39.749 1.00 91.91 ? 33 ILE A O 1 +ATOM 162 C CB . ILE A 1 32 ? 7.853 90.981 -37.823 1.00 80.78 ? 33 ILE A CB 1 +ATOM 163 C CG1 . ILE A 1 32 ? 9.244 90.870 -37.192 1.00 77.85 ? 33 ILE A CG1 1 +ATOM 164 C CG2 . ILE A 1 32 ? 6.860 91.680 -36.906 1.00 79.44 ? 33 ILE A CG2 1 +ATOM 165 C CD1 . ILE A 1 32 ? 9.839 92.188 -36.798 1.00 76.53 ? 33 ILE A CD1 1 +ATOM 166 N N . ASP A 1 33 ? 5.267 88.663 -39.160 1.00 97.50 ? 34 ASP A N 1 +ATOM 167 C CA . ASP A 1 33 ? 3.913 88.679 -39.780 1.00 102.19 ? 34 ASP A CA 1 +ATOM 168 C C . ASP A 1 33 ? 3.041 89.642 -38.954 1.00 103.09 ? 34 ASP A C 1 +ATOM 169 O O . ASP A 1 33 ? 2.715 89.332 -37.767 1.00 102.54 ? 34 ASP A O 1 +ATOM 170 C CB . ASP A 1 33 ? 3.354 87.258 -39.929 1.00 103.25 ? 34 ASP A CB 1 +ATOM 171 C CG . ASP A 1 33 ? 1.862 87.206 -40.205 1.00 104.40 ? 34 ASP A CG 1 +ATOM 172 O OD1 . ASP A 1 33 ? 1.257 88.294 -40.399 1.00 105.49 ? 34 ASP A OD1 1 +ATOM 173 O OD2 . ASP A 1 33 ? 1.313 86.079 -40.178 1.00 101.61 ? 34 ASP A OD2 1 +ATOM 174 N N . THR A 1 34 ? 2.698 90.779 -39.561 1.00 100.40 ? 35 THR A N 1 +ATOM 175 C CA . THR A 1 34 ? 2.082 91.957 -38.905 1.00 101.07 ? 35 THR A CA 1 +ATOM 176 C C . THR A 1 34 ? 0.642 91.663 -38.455 1.00 106.71 ? 35 THR A C 1 +ATOM 177 O O . THR A 1 34 ? 0.174 92.373 -37.535 1.00 104.34 ? 35 THR A O 1 +ATOM 178 C CB . THR A 1 34 ? 2.151 93.145 -39.862 1.00 100.30 ? 35 THR A CB 1 +ATOM 179 O OG1 . THR A 1 34 ? 1.683 92.636 -41.110 1.00 100.05 ? 35 THR A OG1 1 +ATOM 180 C CG2 . THR A 1 34 ? 3.547 93.711 -39.994 1.00 97.63 ? 35 THR A CG2 1 +ATOM 181 N N . HIS A 1 35 ? -0.037 90.678 -39.065 1.00 113.79 ? 36 HIS A N 1 +ATOM 182 C CA . HIS A 1 35 ? -1.440 90.290 -38.721 1.00 118.85 ? 36 HIS A CA 1 +ATOM 183 C C . HIS A 1 35 ? -1.497 89.741 -37.286 1.00 113.76 ? 36 HIS A C 1 +ATOM 184 O O . HIS A 1 35 ? -2.430 90.121 -36.551 1.00 112.27 ? 36 HIS A O 1 +ATOM 185 C CB . HIS A 1 35 ? -2.040 89.284 -39.725 1.00 124.80 ? 36 HIS A CB 1 +ATOM 186 C CG . HIS A 1 35 ? -2.162 89.801 -41.119 1.00 130.80 ? 36 HIS A CG 1 +ATOM 187 N ND1 . HIS A 1 35 ? -1.414 89.283 -42.166 1.00 135.76 ? 36 HIS A ND1 1 +ATOM 188 C CD2 . HIS A 1 35 ? -2.919 90.789 -41.643 1.00 132.37 ? 36 HIS A CD2 1 +ATOM 189 C CE1 . HIS A 1 35 ? -1.713 89.927 -43.276 1.00 138.22 ? 36 HIS A CE1 1 +ATOM 190 N NE2 . HIS A 1 35 ? -2.632 90.858 -42.980 1.00 138.08 ? 36 HIS A NE2 1 +ATOM 191 N N . THR A 1 36 ? -0.545 88.878 -36.908 1.00 108.36 ? 37 THR A N 1 +ATOM 192 C CA . THR A 1 36 ? -0.521 88.160 -35.606 1.00 103.03 ? 37 THR A CA 1 +ATOM 193 C C . THR A 1 36 ? 0.138 89.064 -34.561 1.00 101.78 ? 37 THR A C 1 +ATOM 194 O O . THR A 1 36 ? -0.147 88.876 -33.370 1.00 102.47 ? 37 THR A O 1 +ATOM 195 C CB . THR A 1 36 ? 0.180 86.800 -35.731 1.00 95.60 ? 37 THR A CB 1 +ATOM 196 N N . ALA A 1 37 ? 0.980 90.014 -34.986 1.00 100.11 ? 38 ALA A N 1 +ATOM 197 C CA . ALA A 1 37 ? 1.801 90.857 -34.082 1.00 96.31 ? 38 ALA A CA 1 +ATOM 198 C C . ALA A 1 37 ? 0.898 91.868 -33.373 1.00 92.43 ? 38 ALA A C 1 +ATOM 199 O O . ALA A 1 37 ? 0.826 93.014 -33.840 1.00 91.54 ? 38 ALA A O 1 +ATOM 200 C CB . ALA A 1 37 ? 2.889 91.551 -34.862 1.00 96.70 ? 38 ALA A CB 1 +ATOM 201 N N . LYS A 1 38 ? 0.226 91.453 -32.298 1.00 88.91 ? 39 LYS A N 1 +ATOM 202 C CA . LYS A 1 38 ? -0.914 92.219 -31.728 1.00 89.32 ? 39 LYS A CA 1 +ATOM 203 C C . LYS A 1 38 ? -0.342 93.400 -30.927 1.00 87.16 ? 39 LYS A C 1 +ATOM 204 O O . LYS A 1 38 ? 0.630 93.203 -30.173 1.00 85.69 ? 39 LYS A O 1 +ATOM 205 C CB . LYS A 1 38 ? -1.874 91.310 -30.937 1.00 90.54 ? 39 LYS A CB 1 +ATOM 206 C CG . LYS A 1 38 ? -3.198 90.967 -31.624 1.00 90.38 ? 39 LYS A CG 1 +ATOM 207 N N . TYR A 1 39 ? -0.917 94.589 -31.132 1.00 85.94 ? 40 TYR A N 1 +ATOM 208 C CA . TYR A 1 39 ? -0.547 95.857 -30.464 1.00 84.25 ? 40 TYR A CA 1 +ATOM 209 C C . TYR A 1 39 ? -0.782 95.731 -28.962 1.00 85.42 ? 40 TYR A C 1 +ATOM 210 O O . TYR A 1 39 ? -1.928 95.585 -28.575 1.00 88.32 ? 40 TYR A O 1 +ATOM 211 C CB . TYR A 1 39 ? -1.388 97.009 -31.014 1.00 86.72 ? 40 TYR A CB 1 +ATOM 212 C CG . TYR A 1 39 ? -1.465 98.193 -30.083 1.00 89.58 ? 40 TYR A CG 1 +ATOM 213 C CD1 . TYR A 1 39 ? -0.388 99.047 -29.921 1.00 90.50 ? 40 TYR A CD1 1 +ATOM 214 C CD2 . TYR A 1 39 ? -2.598 98.445 -29.333 1.00 91.72 ? 40 TYR A CD2 1 +ATOM 215 C CE1 . TYR A 1 39 ? -0.440 100.133 -29.061 1.00 90.47 ? 40 TYR A CE1 1 +ATOM 216 C CE2 . TYR A 1 39 ? -2.667 99.526 -28.472 1.00 93.21 ? 40 TYR A CE2 1 +ATOM 217 C CZ . TYR A 1 39 ? -1.586 100.374 -28.332 1.00 91.42 ? 40 TYR A CZ 1 +ATOM 218 O OH . TYR A 1 39 ? -1.645 101.424 -27.463 1.00 91.52 ? 40 TYR A OH 1 +ATOM 219 N N . ASP A 1 40 ? 0.268 95.836 -28.154 1.00 86.88 ? 41 ASP A N 1 +ATOM 220 C CA . ASP A 1 40 ? 0.197 95.850 -26.667 1.00 90.70 ? 41 ASP A CA 1 +ATOM 221 C C . ASP A 1 40 ? 0.278 97.299 -26.182 1.00 91.89 ? 41 ASP A C 1 +ATOM 222 O O . ASP A 1 40 ? 1.252 97.999 -26.426 1.00 94.41 ? 41 ASP A O 1 +ATOM 223 C CB . ASP A 1 40 ? 1.301 94.958 -26.081 1.00 91.13 ? 41 ASP A CB 1 +ATOM 224 C CG . ASP A 1 40 ? 1.369 94.915 -24.560 1.00 90.81 ? 41 ASP A CG 1 +ATOM 225 O OD1 . ASP A 1 40 ? 0.697 95.768 -23.916 1.00 94.18 ? 41 ASP A OD1 1 +ATOM 226 O OD2 . ASP A 1 40 ? 2.100 94.032 -24.028 1.00 83.74 ? 41 ASP A OD2 1 +ATOM 227 N N . PRO A 1 41 ? -0.724 97.822 -25.453 1.00 95.32 ? 42 PRO A N 1 +ATOM 228 C CA . PRO A 1 41 ? -0.671 99.203 -24.989 1.00 95.11 ? 42 PRO A CA 1 +ATOM 229 C C . PRO A 1 41 ? -0.069 99.350 -23.584 1.00 92.57 ? 42 PRO A C 1 +ATOM 230 O O . PRO A 1 41 ? -0.041 100.463 -23.091 1.00 93.68 ? 42 PRO A O 1 +ATOM 231 C CB . PRO A 1 41 ? -2.159 99.546 -24.954 1.00 97.93 ? 42 PRO A CB 1 +ATOM 232 C CG . PRO A 1 41 ? -2.776 98.266 -24.421 1.00 100.82 ? 42 PRO A CG 1 +ATOM 233 C CD . PRO A 1 41 ? -1.954 97.143 -25.027 1.00 99.06 ? 42 PRO A CD 1 +ATOM 234 N N . SER A 1 42 ? 0.356 98.258 -22.946 1.00 87.57 ? 43 SER A N 1 +ATOM 235 C CA . SER A 1 42 ? 1.047 98.335 -21.631 1.00 87.44 ? 43 SER A CA 1 +ATOM 236 C C . SER A 1 42 ? 2.521 98.701 -21.865 1.00 85.59 ? 43 SER A C 1 +ATOM 237 O O . SER A 1 42 ? 3.181 99.189 -20.933 1.00 86.68 ? 43 SER A O 1 +ATOM 238 C CB . SER A 1 42 ? 0.886 97.080 -20.824 1.00 86.67 ? 43 SER A CB 1 +ATOM 239 O OG . SER A 1 42 ? 1.504 95.986 -21.476 1.00 87.46 ? 43 SER A OG 1 +ATOM 240 N N . LEU A 1 43 ? 3.016 98.488 -23.084 1.00 84.68 ? 44 LEU A N 1 +ATOM 241 C CA . LEU A 1 43 ? 4.356 98.949 -23.523 1.00 80.68 ? 44 LEU A CA 1 +ATOM 242 C C . LEU A 1 43 ? 4.435 100.454 -23.282 1.00 81.10 ? 44 LEU A C 1 +ATOM 243 O O . LEU A 1 43 ? 3.755 101.168 -24.037 1.00 82.61 ? 44 LEU A O 1 +ATOM 244 C CB . LEU A 1 43 ? 4.547 98.659 -25.019 1.00 77.34 ? 44 LEU A CB 1 +ATOM 245 C CG . LEU A 1 43 ? 4.751 97.200 -25.423 1.00 73.54 ? 44 LEU A CG 1 +ATOM 246 C CD1 . LEU A 1 43 ? 4.921 97.077 -26.930 1.00 73.40 ? 44 LEU A CD1 1 +ATOM 247 C CD2 . LEU A 1 43 ? 5.941 96.592 -24.716 1.00 70.46 ? 44 LEU A CD2 1 +ATOM 248 N N . LYS A 1 44 ? 5.212 100.900 -22.282 1.00 80.35 ? 45 LYS A N 1 +ATOM 249 C CA . LYS A 1 44 ? 5.603 102.327 -22.118 1.00 78.45 ? 45 LYS A CA 1 +ATOM 250 C C . LYS A 1 44 ? 6.351 102.704 -23.392 1.00 77.31 ? 45 LYS A C 1 +ATOM 251 O O . LYS A 1 44 ? 6.594 101.848 -24.240 1.00 74.65 ? 45 LYS A O 1 +ATOM 252 C CB . LYS A 1 44 ? 6.391 102.548 -20.822 1.00 76.49 ? 45 LYS A CB 1 +ATOM 253 N N . PRO A 1 45 ? 6.646 103.998 -23.623 1.00 80.18 ? 46 PRO A N 1 +ATOM 254 C CA . PRO A 1 45 ? 7.330 104.428 -24.841 1.00 76.76 ? 46 PRO A CA 1 +ATOM 255 C C . PRO A 1 45 ? 8.839 104.435 -24.607 1.00 73.29 ? 46 PRO A C 1 +ATOM 256 O O . PRO A 1 45 ? 9.261 104.316 -23.460 1.00 77.53 ? 46 PRO A O 1 +ATOM 257 C CB . PRO A 1 45 ? 6.836 105.863 -25.056 1.00 79.76 ? 46 PRO A CB 1 +ATOM 258 C CG . PRO A 1 45 ? 6.524 106.357 -23.632 1.00 83.20 ? 46 PRO A CG 1 +ATOM 259 C CD . PRO A 1 45 ? 6.314 105.133 -22.747 1.00 82.56 ? 46 PRO A CD 1 +ATOM 260 N N . LEU A 1 46 ? 9.593 104.636 -25.679 1.00 68.97 ? 47 LEU A N 1 +ATOM 261 C CA . LEU A 1 46 ? 11.020 104.245 -25.773 1.00 66.77 ? 47 LEU A CA 1 +ATOM 262 C C . LEU A 1 46 ? 11.877 105.464 -25.454 1.00 65.11 ? 47 LEU A C 1 +ATOM 263 O O . LEU A 1 46 ? 11.864 106.396 -26.265 1.00 65.83 ? 47 LEU A O 1 +ATOM 264 C CB . LEU A 1 46 ? 11.262 103.741 -27.200 1.00 67.40 ? 47 LEU A CB 1 +ATOM 265 C CG . LEU A 1 46 ? 12.503 102.883 -27.428 1.00 68.40 ? 47 LEU A CG 1 +ATOM 266 C CD1 . LEU A 1 46 ? 12.573 101.762 -26.405 1.00 68.82 ? 47 LEU A CD1 1 +ATOM 267 C CD2 . LEU A 1 46 ? 12.506 102.313 -28.850 1.00 68.81 ? 47 LEU A CD2 1 +ATOM 268 N N . SER A 1 47 ? 12.605 105.456 -24.335 1.00 63.36 ? 48 SER A N 1 +ATOM 269 C CA . SER A 1 47 ? 13.524 106.561 -23.955 1.00 59.88 ? 48 SER A CA 1 +ATOM 270 C C . SER A 1 47 ? 14.972 106.187 -24.297 1.00 57.07 ? 48 SER A C 1 +ATOM 271 O O . SER A 1 47 ? 15.349 105.036 -24.100 1.00 55.09 ? 48 SER A O 1 +ATOM 272 C CB . SER A 1 47 ? 13.338 106.937 -22.520 1.00 61.16 ? 48 SER A CB 1 +ATOM 273 O OG . SER A 1 47 ? 14.554 107.402 -21.963 1.00 64.17 ? 48 SER A OG 1 +ATOM 274 N N . VAL A 1 48 ? 15.734 107.153 -24.810 1.00 57.47 ? 49 VAL A N 1 +ATOM 275 C CA . VAL A 1 48 ? 17.097 107.009 -25.403 1.00 56.92 ? 49 VAL A CA 1 +ATOM 276 C C . VAL A 1 48 ? 17.943 108.220 -24.985 1.00 59.70 ? 49 VAL A C 1 +ATOM 277 O O . VAL A 1 48 ? 17.823 109.290 -25.583 1.00 62.70 ? 49 VAL A O 1 +ATOM 278 C CB . VAL A 1 48 ? 17.032 106.908 -26.940 1.00 55.21 ? 49 VAL A CB 1 +ATOM 279 C CG1 . VAL A 1 48 ? 18.423 106.747 -27.496 1.00 56.73 ? 49 VAL A CG1 1 +ATOM 280 C CG2 . VAL A 1 48 ? 16.181 105.748 -27.414 1.00 54.67 ? 49 VAL A CG2 1 +ATOM 281 N N . SER A 1 49 ? 18.801 108.084 -23.992 1.00 63.34 ? 50 SER A N 1 +ATOM 282 C CA . SER A 1 49 ? 19.631 109.216 -23.522 1.00 66.06 ? 50 SER A CA 1 +ATOM 283 C C . SER A 1 49 ? 21.062 109.000 -24.026 1.00 66.06 ? 50 SER A C 1 +ATOM 284 O O . SER A 1 49 ? 21.820 108.315 -23.370 1.00 64.87 ? 50 SER A O 1 +ATOM 285 C CB . SER A 1 49 ? 19.530 109.358 -22.023 1.00 68.68 ? 50 SER A CB 1 +ATOM 286 O OG . SER A 1 49 ? 19.899 110.681 -21.631 1.00 71.85 ? 50 SER A OG 1 +ATOM 287 N N . TYR A 1 50 ? 21.389 109.501 -25.214 1.00 68.38 ? 51 TYR A N 1 +ATOM 288 C CA . TYR A 1 50 ? 22.700 109.206 -25.846 1.00 68.90 ? 51 TYR A CA 1 +ATOM 289 C C . TYR A 1 50 ? 23.540 110.465 -26.015 1.00 72.50 ? 51 TYR A C 1 +ATOM 290 O O . TYR A 1 50 ? 24.517 110.447 -26.756 1.00 70.91 ? 51 TYR A O 1 +ATOM 291 C CB . TYR A 1 50 ? 22.430 108.786 -27.284 1.00 65.26 ? 51 TYR A CB 1 +ATOM 292 C CG . TYR A 1 50 ? 21.948 107.377 -27.484 1.00 64.85 ? 51 TYR A CG 1 +ATOM 293 C CD1 . TYR A 1 50 ? 21.775 106.504 -26.428 1.00 64.37 ? 51 TYR A CD1 1 +ATOM 294 C CD2 . TYR A 1 50 ? 21.684 106.916 -28.756 1.00 66.34 ? 51 TYR A CD2 1 +ATOM 295 C CE1 . TYR A 1 50 ? 21.345 105.206 -26.636 1.00 65.06 ? 51 TYR A CE1 1 +ATOM 296 C CE2 . TYR A 1 50 ? 21.259 105.623 -28.985 1.00 65.30 ? 51 TYR A CE2 1 +ATOM 297 C CZ . TYR A 1 50 ? 21.093 104.762 -27.922 1.00 65.50 ? 51 TYR A CZ 1 +ATOM 298 O OH . TYR A 1 50 ? 20.675 103.493 -28.182 1.00 62.99 ? 51 TYR A OH 1 +ATOM 299 N N . ASP A 1 51 ? 23.170 111.498 -25.283 1.00 79.48 ? 52 ASP A N 1 +ATOM 300 C CA . ASP A 1 51 ? 23.720 112.877 -25.373 1.00 85.64 ? 52 ASP A CA 1 +ATOM 301 C C . ASP A 1 51 ? 25.191 112.858 -24.924 1.00 86.08 ? 52 ASP A C 1 +ATOM 302 O O . ASP A 1 51 ? 25.938 113.780 -25.309 1.00 88.72 ? 52 ASP A O 1 +ATOM 303 C CB . ASP A 1 51 ? 22.831 113.842 -24.568 1.00 93.52 ? 52 ASP A CB 1 +ATOM 304 C CG . ASP A 1 51 ? 22.844 115.315 -24.995 1.00 101.80 ? 52 ASP A CG 1 +ATOM 305 O OD1 . ASP A 1 51 ? 23.944 115.840 -25.328 1.00 101.37 ? 52 ASP A OD1 1 +ATOM 306 O OD2 . ASP A 1 51 ? 21.745 115.951 -24.970 1.00 104.91 ? 52 ASP A OD2 1 +ATOM 307 N N . GLN A 1 52 ? 25.601 111.849 -24.147 1.00 86.66 ? 53 GLN A N 1 +ATOM 308 C CA . GLN A 1 52 ? 26.978 111.722 -23.587 1.00 87.19 ? 53 GLN A CA 1 +ATOM 309 C C . GLN A 1 52 ? 27.600 110.379 -23.988 1.00 82.31 ? 53 GLN A C 1 +ATOM 310 O O . GLN A 1 52 ? 28.580 109.946 -23.356 1.00 77.30 ? 53 GLN A O 1 +ATOM 311 C CB . GLN A 1 52 ? 26.919 111.868 -22.069 1.00 92.03 ? 53 GLN A CB 1 +ATOM 312 C CG . GLN A 1 52 ? 26.324 113.192 -21.618 1.00 97.50 ? 53 GLN A CG 1 +ATOM 313 C CD . GLN A 1 52 ? 25.396 112.967 -20.454 1.00 103.22 ? 53 GLN A CD 1 +ATOM 314 O OE1 . GLN A 1 52 ? 25.742 113.261 -19.308 1.00 112.19 ? 53 GLN A OE1 1 +ATOM 315 N NE2 . GLN A 1 52 ? 24.233 112.393 -20.738 1.00 103.07 ? 53 GLN A NE2 1 +ATOM 316 N N . ALA A 1 53 ? 27.039 109.738 -25.007 1.00 81.27 ? 54 ALA A N 1 +ATOM 317 C CA . ALA A 1 53 ? 27.603 108.524 -25.622 1.00 81.03 ? 54 ALA A CA 1 +ATOM 318 C C . ALA A 1 53 ? 29.066 108.810 -25.982 1.00 80.91 ? 54 ALA A C 1 +ATOM 319 O O . ALA A 1 53 ? 29.324 109.851 -26.619 1.00 88.02 ? 54 ALA A O 1 +ATOM 320 C CB . ALA A 1 53 ? 26.777 108.142 -26.824 1.00 81.16 ? 54 ALA A CB 1 +ATOM 321 N N . THR A 1 54 ? 29.981 107.945 -25.536 1.00 76.32 ? 55 THR A N 1 +ATOM 322 C CA . THR A 1 54 ? 31.443 108.058 -25.737 1.00 72.43 ? 55 THR A CA 1 +ATOM 323 C C . THR A 1 54 ? 31.897 106.854 -26.551 1.00 71.02 ? 55 THR A C 1 +ATOM 324 O O . THR A 1 54 ? 32.145 105.813 -25.901 1.00 69.98 ? 55 THR A O 1 +ATOM 325 C CB . THR A 1 54 ? 32.179 108.096 -24.391 1.00 71.90 ? 55 THR A CB 1 +ATOM 326 O OG1 . THR A 1 54 ? 31.923 109.366 -23.799 1.00 73.34 ? 55 THR A OG1 1 +ATOM 327 C CG2 . THR A 1 54 ? 33.676 107.912 -24.504 1.00 73.56 ? 55 THR A CG2 1 +ATOM 328 N N . SER A 1 55 ? 31.996 106.976 -27.888 1.00 70.11 ? 56 SER A N 1 +ATOM 329 C CA . SER A 1 55 ? 32.623 105.925 -28.737 1.00 69.29 ? 56 SER A CA 1 +ATOM 330 C C . SER A 1 55 ? 34.108 105.880 -28.421 1.00 70.26 ? 56 SER A C 1 +ATOM 331 O O . SER A 1 55 ? 34.655 106.897 -27.959 1.00 74.11 ? 56 SER A O 1 +ATOM 332 C CB . SER A 1 55 ? 32.411 106.108 -30.203 1.00 69.79 ? 56 SER A CB 1 +ATOM 333 O OG . SER A 1 55 ? 33.106 107.245 -30.674 1.00 74.60 ? 56 SER A OG 1 +ATOM 334 N N . LEU A 1 56 ? 34.723 104.732 -28.654 1.00 70.56 ? 57 LEU A N 1 +ATOM 335 C CA . LEU A 1 56 ? 36.144 104.493 -28.328 1.00 72.76 ? 57 LEU A CA 1 +ATOM 336 C C . LEU A 1 56 ? 36.866 104.094 -29.618 1.00 74.94 ? 57 LEU A C 1 +ATOM 337 O O . LEU A 1 56 ? 37.750 104.863 -30.069 1.00 78.27 ? 57 LEU A O 1 +ATOM 338 C CB . LEU A 1 56 ? 36.209 103.400 -27.251 1.00 71.98 ? 57 LEU A CB 1 +ATOM 339 C CG . LEU A 1 56 ? 35.682 103.774 -25.858 1.00 71.42 ? 57 LEU A CG 1 +ATOM 340 C CD1 . LEU A 1 56 ? 35.985 102.679 -24.853 1.00 71.85 ? 57 LEU A CD1 1 +ATOM 341 C CD2 . LEU A 1 56 ? 36.264 105.089 -25.360 1.00 72.85 ? 57 LEU A CD2 1 +ATOM 342 N N . ARG A 1 57 ? 36.443 102.960 -30.187 1.00 77.22 ? 58 ARG A N 1 +ATOM 343 C CA A ARG A 1 57 ? 37.095 102.194 -31.287 1.00 81.27 ? 58 ARG A CA 1 +ATOM 344 C C . ARG A 1 57 ? 36.052 101.875 -32.362 1.00 79.85 ? 58 ARG A C 1 +ATOM 345 O O . ARG A 1 57 ? 34.867 101.829 -32.017 1.00 84.41 ? 58 ARG A O 1 +ATOM 346 C CB A ARG A 1 57 ? 37.677 100.875 -30.750 1.00 79.94 ? 58 ARG A CB 1 +ATOM 347 N N . ILE A 1 58 ? 36.476 101.687 -33.610 1.00 78.96 ? 59 ILE A N 1 +ATOM 348 C CA . ILE A 1 58 ? 35.744 100.866 -34.618 1.00 78.32 ? 59 ILE A CA 1 +ATOM 349 C C . ILE A 1 58 ? 36.662 99.714 -34.969 1.00 79.28 ? 59 ILE A C 1 +ATOM 350 O O . ILE A 1 58 ? 37.831 99.992 -35.221 1.00 83.25 ? 59 ILE A O 1 +ATOM 351 C CB . ILE A 1 58 ? 35.385 101.619 -35.907 1.00 81.05 ? 59 ILE A CB 1 +ATOM 352 C CG1 . ILE A 1 58 ? 34.595 100.699 -36.843 1.00 81.68 ? 59 ILE A CG1 1 +ATOM 353 C CG2 . ILE A 1 58 ? 36.627 102.172 -36.599 1.00 83.49 ? 59 ILE A CG2 1 +ATOM 354 C CD1 . ILE A 1 58 ? 33.811 101.427 -37.903 1.00 82.53 ? 59 ILE A CD1 1 +ATOM 355 N N . LEU A 1 59 ? 36.149 98.494 -35.051 1.00 79.45 ? 60 LEU A N 1 +ATOM 356 C CA . LEU A 1 59 ? 37.012 97.325 -35.338 1.00 84.32 ? 60 LEU A CA 1 +ATOM 357 C C . LEU A 1 59 ? 36.272 96.272 -36.180 1.00 85.69 ? 60 LEU A C 1 +ATOM 358 O O . LEU A 1 59 ? 35.158 95.900 -35.828 1.00 86.73 ? 60 LEU A O 1 +ATOM 359 C CB . LEU A 1 59 ? 37.535 96.797 -33.999 1.00 84.61 ? 60 LEU A CB 1 +ATOM 360 C CG . LEU A 1 59 ? 36.574 95.948 -33.176 1.00 84.55 ? 60 LEU A CG 1 +ATOM 361 C CD1 . LEU A 1 59 ? 36.939 94.471 -33.304 1.00 84.34 ? 60 LEU A CD1 1 +ATOM 362 C CD2 . LEU A 1 59 ? 36.581 96.401 -31.717 1.00 86.09 ? 60 LEU A CD2 1 +ATOM 363 N N . ASN A 1 60 ? 36.875 95.862 -37.297 1.00 90.64 ? 61 ASN A N 1 +ATOM 364 C CA . ASN A 1 60 ? 36.448 94.694 -38.105 1.00 94.72 ? 61 ASN A CA 1 +ATOM 365 C C . ASN A 1 60 ? 36.914 93.434 -37.376 1.00 95.42 ? 61 ASN A C 1 +ATOM 366 O O . ASN A 1 60 ? 38.136 93.246 -37.274 1.00 97.59 ? 61 ASN A O 1 +ATOM 367 C CB . ASN A 1 60 ? 37.017 94.760 -39.524 1.00 100.19 ? 61 ASN A CB 1 +ATOM 368 C CG . ASN A 1 60 ? 36.905 93.457 -40.294 1.00 102.64 ? 61 ASN A CG 1 +ATOM 369 O OD1 . ASN A 1 60 ? 35.998 92.654 -40.074 1.00 100.52 ? 61 ASN A OD1 1 +ATOM 370 N ND2 . ASN A 1 60 ? 37.818 93.248 -41.228 1.00 109.96 ? 61 ASN A ND2 1 +ATOM 371 N N . ASN A 1 61 ? 35.971 92.614 -36.909 1.00 95.80 ? 62 ASN A N 1 +ATOM 372 C CA . ASN A 1 61 ? 36.231 91.391 -36.100 1.00 99.84 ? 62 ASN A CA 1 +ATOM 373 C C . ASN A 1 61 ? 36.154 90.143 -36.993 1.00 102.67 ? 62 ASN A C 1 +ATOM 374 O O . ASN A 1 61 ? 36.058 89.016 -36.439 1.00 103.78 ? 62 ASN A O 1 +ATOM 375 C CB . ASN A 1 61 ? 35.232 91.265 -34.950 1.00 100.31 ? 62 ASN A CB 1 +ATOM 376 C CG . ASN A 1 61 ? 33.805 91.153 -35.444 1.00 101.94 ? 62 ASN A CG 1 +ATOM 377 O OD1 . ASN A 1 61 ? 33.286 92.080 -36.071 1.00 102.55 ? 62 ASN A OD1 1 +ATOM 378 N ND2 . ASN A 1 61 ? 33.170 90.021 -35.180 1.00 103.19 ? 62 ASN A ND2 1 +ATOM 379 N N . GLY A 1 62 ? 36.174 90.335 -38.318 1.00 102.80 ? 63 GLY A N 1 +ATOM 380 C CA . GLY A 1 62 ? 36.147 89.251 -39.316 1.00 102.61 ? 63 GLY A CA 1 +ATOM 381 C C . GLY A 1 62 ? 34.820 88.515 -39.326 1.00 102.31 ? 63 GLY A C 1 +ATOM 382 O O . GLY A 1 62 ? 34.826 87.318 -39.657 1.00 108.94 ? 63 GLY A O 1 +ATOM 383 N N . HIS A 1 63 ? 33.730 89.187 -38.941 1.00 101.21 ? 64 HIS A N 1 +ATOM 384 C CA . HIS A 1 63 ? 32.323 88.720 -39.102 1.00 98.62 ? 64 HIS A CA 1 +ATOM 385 C C . HIS A 1 63 ? 31.459 89.893 -39.569 1.00 95.98 ? 64 HIS A C 1 +ATOM 386 O O . HIS A 1 63 ? 30.529 89.663 -40.353 1.00 98.35 ? 64 HIS A O 1 +ATOM 387 C CB . HIS A 1 63 ? 31.802 88.105 -37.798 1.00 99.14 ? 64 HIS A CB 1 +ATOM 388 C CG . HIS A 1 63 ? 32.562 86.892 -37.384 1.00 105.05 ? 64 HIS A CG 1 +ATOM 389 N ND1 . HIS A 1 63 ? 33.113 86.761 -36.123 1.00 106.51 ? 64 HIS A ND1 1 +ATOM 390 C CD2 . HIS A 1 63 ? 32.893 85.771 -38.068 1.00 107.44 ? 64 HIS A CD2 1 +ATOM 391 C CE1 . HIS A 1 63 ? 33.747 85.609 -36.042 1.00 108.20 ? 64 HIS A CE1 1 +ATOM 392 N NE2 . HIS A 1 63 ? 33.632 84.985 -37.228 1.00 108.22 ? 64 HIS A NE2 1 +ATOM 393 N N . ALA A 1 64 ? 31.784 91.094 -39.088 1.00 91.59 ? 65 ALA A N 1 +ATOM 394 C CA . ALA A 1 64 ? 31.133 92.391 -39.382 1.00 90.39 ? 65 ALA A CA 1 +ATOM 395 C C . ALA A 1 64 ? 32.067 93.463 -38.826 1.00 87.17 ? 65 ALA A C 1 +ATOM 396 O O . ALA A 1 64 ? 33.230 93.092 -38.581 1.00 91.27 ? 65 ALA A O 1 +ATOM 397 C CB . ALA A 1 64 ? 29.766 92.437 -38.751 1.00 90.54 ? 65 ALA A CB 1 +ATOM 398 N N . PHE A 1 65 ? 31.610 94.703 -38.613 1.00 82.08 ? 66 PHE A N 1 +ATOM 399 C CA . PHE A 1 65 ? 32.425 95.748 -37.930 1.00 80.93 ? 66 PHE A CA 1 +ATOM 400 C C . PHE A 1 65 ? 31.614 96.340 -36.775 1.00 76.33 ? 66 PHE A C 1 +ATOM 401 O O . PHE A 1 65 ? 30.448 96.678 -36.970 1.00 76.63 ? 66 PHE A O 1 +ATOM 402 C CB . PHE A 1 65 ? 32.949 96.807 -38.909 1.00 82.00 ? 66 PHE A CB 1 +ATOM 403 C CG . PHE A 1 65 ? 31.941 97.853 -39.300 1.00 82.02 ? 66 PHE A CG 1 +ATOM 404 C CD1 . PHE A 1 65 ? 31.675 98.928 -38.467 1.00 82.17 ? 66 PHE A CD1 1 +ATOM 405 C CD2 . PHE A 1 65 ? 31.233 97.744 -40.484 1.00 84.05 ? 66 PHE A CD2 1 +ATOM 406 C CE1 . PHE A 1 65 ? 30.714 99.870 -38.806 1.00 81.25 ? 66 PHE A CE1 1 +ATOM 407 C CE2 . PHE A 1 65 ? 30.281 98.691 -40.827 1.00 83.76 ? 66 PHE A CE2 1 +ATOM 408 C CZ . PHE A 1 65 ? 30.029 99.753 -39.990 1.00 81.76 ? 66 PHE A CZ 1 +ATOM 409 N N . ASN A 1 66 ? 32.254 96.454 -35.613 1.00 73.47 ? 67 ASN A N 1 +ATOM 410 C CA . ASN A 1 66 ? 31.668 96.917 -34.335 1.00 71.64 ? 67 ASN A CA 1 +ATOM 411 C C . ASN A 1 66 ? 32.264 98.266 -33.977 1.00 68.67 ? 67 ASN A C 1 +ATOM 412 O O . ASN A 1 66 ? 33.464 98.353 -33.909 1.00 73.01 ? 67 ASN A O 1 +ATOM 413 C CB . ASN A 1 66 ? 31.990 95.967 -33.184 1.00 75.92 ? 67 ASN A CB 1 +ATOM 414 C CG . ASN A 1 66 ? 31.313 94.617 -33.324 1.00 83.31 ? 67 ASN A CG 1 +ATOM 415 O OD1 . ASN A 1 66 ? 31.066 94.139 -34.444 1.00 88.32 ? 67 ASN A OD1 1 +ATOM 416 N ND2 . ASN A 1 66 ? 31.007 93.995 -32.185 1.00 82.48 ? 67 ASN A ND2 1 +ATOM 417 N N . VAL A 1 67 ? 31.440 99.262 -33.714 1.00 66.05 ? 68 VAL A N 1 +ATOM 418 C CA . VAL A 1 67 ? 31.855 100.496 -32.997 1.00 66.08 ? 68 VAL A CA 1 +ATOM 419 C C . VAL A 1 67 ? 31.664 100.297 -31.489 1.00 65.85 ? 68 VAL A C 1 +ATOM 420 O O . VAL A 1 67 ? 30.496 100.144 -31.078 1.00 66.15 ? 68 VAL A O 1 +ATOM 421 C CB . VAL A 1 67 ? 31.022 101.671 -33.504 1.00 67.21 ? 68 VAL A CB 1 +ATOM 422 C CG1 . VAL A 1 67 ? 31.183 102.865 -32.587 1.00 68.68 ? 68 VAL A CG1 1 +ATOM 423 C CG2 . VAL A 1 67 ? 31.363 101.999 -34.957 1.00 68.58 ? 68 VAL A CG2 1 +ATOM 424 N N . GLU A 1 68 ? 32.757 100.289 -30.712 1.00 65.71 ? 69 GLU A N 1 +ATOM 425 C CA . GLU A 1 68 ? 32.776 100.041 -29.239 1.00 65.69 ? 69 GLU A CA 1 +ATOM 426 C C . GLU A 1 68 ? 32.407 101.338 -28.504 1.00 65.43 ? 69 GLU A C 1 +ATOM 427 O O . GLU A 1 68 ? 32.799 102.401 -29.012 1.00 68.15 ? 69 GLU A O 1 +ATOM 428 C CB . GLU A 1 68 ? 34.174 99.603 -28.790 1.00 68.94 ? 69 GLU A CB 1 +ATOM 429 C CG . GLU A 1 68 ? 34.682 98.296 -29.401 1.00 70.43 ? 69 GLU A CG 1 +ATOM 430 N N . PHE A 1 69 ? 31.706 101.278 -27.362 1.00 63.03 ? 70 PHE A N 1 +ATOM 431 C CA . PHE A 1 69 ? 31.412 102.470 -26.504 1.00 63.24 ? 70 PHE A CA 1 +ATOM 432 C C . PHE A 1 69 ? 31.809 102.279 -25.021 1.00 63.11 ? 70 PHE A C 1 +ATOM 433 O O . PHE A 1 69 ? 31.967 101.148 -24.501 1.00 61.90 ? 70 PHE A O 1 +ATOM 434 C CB . PHE A 1 69 ? 29.928 102.811 -26.538 1.00 61.90 ? 70 PHE A CB 1 +ATOM 435 C CG . PHE A 1 69 ? 29.405 103.354 -27.835 1.00 61.34 ? 70 PHE A CG 1 +ATOM 436 C CD1 . PHE A 1 69 ? 29.200 102.520 -28.908 1.00 62.79 ? 70 PHE A CD1 1 +ATOM 437 C CD2 . PHE A 1 69 ? 29.038 104.679 -27.957 1.00 62.34 ? 70 PHE A CD2 1 +ATOM 438 C CE1 . PHE A 1 69 ? 28.678 103.005 -30.096 1.00 61.88 ? 70 PHE A CE1 1 +ATOM 439 C CE2 . PHE A 1 69 ? 28.530 105.167 -29.148 1.00 63.29 ? 70 PHE A CE2 1 +ATOM 440 C CZ . PHE A 1 69 ? 28.341 104.326 -30.214 1.00 62.95 ? 70 PHE A CZ 1 +ATOM 441 N N . ASP A 1 70 ? 31.949 103.404 -24.319 1.00 65.84 ? 71 ASP A N 1 +ATOM 442 C CA . ASP A 1 70 ? 32.274 103.452 -22.867 1.00 68.11 ? 71 ASP A CA 1 +ATOM 443 C C . ASP A 1 70 ? 30.985 103.194 -22.079 1.00 67.17 ? 71 ASP A C 1 +ATOM 444 O O . ASP A 1 70 ? 30.140 104.107 -22.031 1.00 67.88 ? 71 ASP A O 1 +ATOM 445 C CB . ASP A 1 70 ? 32.913 104.798 -22.490 1.00 70.81 ? 71 ASP A CB 1 +ATOM 446 C CG . ASP A 1 70 ? 33.278 104.962 -21.019 1.00 72.56 ? 71 ASP A CG 1 +ATOM 447 O OD1 . ASP A 1 70 ? 32.960 104.053 -20.214 1.00 73.24 ? 71 ASP A OD1 1 +ATOM 448 O OD2 . ASP A 1 70 ? 33.899 105.995 -20.691 1.00 73.89 ? 71 ASP A OD2 1 +ATOM 449 N N . ASP A 1 71 ? 30.864 102.002 -21.484 1.00 66.81 ? 72 ASP A N 1 +ATOM 450 C CA . ASP A 1 71 ? 29.712 101.558 -20.655 1.00 65.74 ? 72 ASP A CA 1 +ATOM 451 C C . ASP A 1 71 ? 30.099 101.593 -19.165 1.00 66.77 ? 72 ASP A C 1 +ATOM 452 O O . ASP A 1 71 ? 29.514 100.786 -18.386 1.00 64.56 ? 72 ASP A O 1 +ATOM 453 C CB . ASP A 1 71 ? 29.221 100.173 -21.099 1.00 65.22 ? 72 ASP A CB 1 +ATOM 454 C CG . ASP A 1 71 ? 30.246 99.050 -20.959 1.00 69.00 ? 72 ASP A CG 1 +ATOM 455 O OD1 . ASP A 1 71 ? 31.454 99.324 -21.147 1.00 71.43 ? 72 ASP A OD1 1 +ATOM 456 O OD2 . ASP A 1 71 ? 29.839 97.895 -20.680 1.00 69.92 ? 72 ASP A OD2 1 +ATOM 457 N N . SER A 1 72 ? 31.014 102.491 -18.776 1.00 66.62 ? 73 SER A N 1 +ATOM 458 C CA . SER A 1 72 ? 31.603 102.551 -17.412 1.00 71.23 ? 73 SER A CA 1 +ATOM 459 C C . SER A 1 72 ? 30.585 103.141 -16.428 1.00 73.11 ? 73 SER A C 1 +ATOM 460 O O . SER A 1 72 ? 30.648 102.831 -15.218 1.00 72.12 ? 73 SER A O 1 +ATOM 461 C CB . SER A 1 72 ? 32.901 103.324 -17.395 1.00 73.65 ? 73 SER A CB 1 +ATOM 462 O OG . SER A 1 72 ? 32.695 104.735 -17.514 1.00 73.89 ? 73 SER A OG 1 +ATOM 463 N N . GLN A 1 73 ? 29.682 103.960 -16.960 1.00 77.45 ? 74 GLN A N 1 +ATOM 464 C CA . GLN A 1 73 ? 28.575 104.637 -16.233 1.00 79.56 ? 74 GLN A CA 1 +ATOM 465 C C . GLN A 1 73 ? 27.439 104.924 -17.229 1.00 78.54 ? 74 GLN A C 1 +ATOM 466 O O . GLN A 1 73 ? 27.664 104.747 -18.454 1.00 75.35 ? 74 GLN A O 1 +ATOM 467 C CB . GLN A 1 73 ? 29.109 105.911 -15.580 1.00 81.82 ? 74 GLN A CB 1 +ATOM 468 C CG . GLN A 1 73 ? 29.793 106.840 -16.574 1.00 83.46 ? 74 GLN A CG 1 +ATOM 469 C CD . GLN A 1 73 ? 30.322 108.099 -15.934 1.00 86.10 ? 74 GLN A CD 1 +ATOM 470 O OE1 . GLN A 1 73 ? 30.519 108.145 -14.711 1.00 86.75 ? 74 GLN A OE1 1 +ATOM 471 N NE2 . GLN A 1 73 ? 30.536 109.123 -16.759 1.00 81.45 ? 74 GLN A NE2 1 +ATOM 472 N N . ASP A 1 74 ? 26.287 105.378 -16.724 1.00 79.10 ? 75 ASP A N 1 +ATOM 473 C CA . ASP A 1 74 ? 25.045 105.630 -17.505 1.00 79.40 ? 75 ASP A CA 1 +ATOM 474 C C . ASP A 1 74 ? 25.224 106.899 -18.363 1.00 77.57 ? 75 ASP A C 1 +ATOM 475 O O . ASP A 1 74 ? 24.502 107.875 -18.168 1.00 77.71 ? 75 ASP A O 1 +ATOM 476 C CB . ASP A 1 74 ? 23.821 105.684 -16.575 1.00 83.66 ? 75 ASP A CB 1 +ATOM 477 C CG . ASP A 1 74 ? 23.473 104.404 -15.807 1.00 84.40 ? 75 ASP A CG 1 +ATOM 478 O OD1 . ASP A 1 74 ? 23.733 103.295 -16.312 1.00 82.82 ? 75 ASP A OD1 1 +ATOM 479 O OD2 . ASP A 1 74 ? 22.916 104.527 -14.700 1.00 88.79 ? 75 ASP A OD2 1 +ATOM 480 N N . LYS A 1 75 ? 26.132 106.840 -19.335 1.00 80.04 ? 76 LYS A N 1 +ATOM 481 C CA . LYS A 1 75 ? 26.479 107.929 -20.290 1.00 80.56 ? 76 LYS A CA 1 +ATOM 482 C C . LYS A 1 75 ? 25.750 107.727 -21.631 1.00 73.78 ? 76 LYS A C 1 +ATOM 483 O O . LYS A 1 75 ? 25.891 108.587 -22.517 1.00 74.30 ? 76 LYS A O 1 +ATOM 484 C CB . LYS A 1 75 ? 27.993 107.934 -20.538 1.00 85.67 ? 76 LYS A CB 1 +ATOM 485 C CG . LYS A 1 75 ? 28.814 108.868 -19.658 1.00 92.33 ? 76 LYS A CG 1 +ATOM 486 C CD . LYS A 1 75 ? 30.164 109.227 -20.277 1.00 95.62 ? 76 LYS A CD 1 +ATOM 487 C CE . LYS A 1 75 ? 31.022 108.026 -20.630 1.00 94.08 ? 76 LYS A CE 1 +ATOM 488 N NZ . LYS A 1 75 ? 31.905 107.646 -19.508 1.00 97.26 ? 76 LYS A NZ 1 +ATOM 489 N N . ALA A 1 76 ? 25.061 106.603 -21.817 1.00 66.08 ? 77 ALA A N 1 +ATOM 490 C CA . ALA A 1 76 ? 24.252 106.332 -23.026 1.00 60.92 ? 77 ALA A CA 1 +ATOM 491 C C . ALA A 1 76 ? 23.328 105.170 -22.697 1.00 56.27 ? 77 ALA A C 1 +ATOM 492 O O . ALA A 1 76 ? 23.787 104.062 -22.601 1.00 58.02 ? 77 ALA A O 1 +ATOM 493 C CB . ALA A 1 76 ? 25.124 106.048 -24.217 1.00 60.84 ? 77 ALA A CB 1 +ATOM 494 N N . VAL A 1 77 ? 22.067 105.439 -22.430 1.00 53.60 ? 78 VAL A N 1 +ATOM 495 C CA . VAL A 1 77 ? 21.203 104.403 -21.821 1.00 51.87 ? 78 VAL A CA 1 +ATOM 496 C C . VAL A 1 77 ? 19.880 104.375 -22.558 1.00 50.82 ? 78 VAL A C 1 +ATOM 497 O O . VAL A 1 77 ? 19.508 105.376 -23.168 1.00 51.41 ? 78 VAL A O 1 +ATOM 498 C CB . VAL A 1 77 ? 21.018 104.626 -20.311 1.00 51.82 ? 78 VAL A CB 1 +ATOM 499 C CG1 . VAL A 1 77 ? 22.330 104.357 -19.579 1.00 52.33 ? 78 VAL A CG1 1 +ATOM 500 C CG2 . VAL A 1 77 ? 20.487 106.015 -20.019 1.00 51.74 ? 78 VAL A CG2 1 +ATOM 501 N N . LEU A 1 78 ? 19.238 103.228 -22.445 1.00 50.26 ? 79 LEU A N 1 +ATOM 502 C CA . LEU A 1 78 ? 17.963 102.870 -23.070 1.00 51.10 ? 79 LEU A CA 1 +ATOM 503 C C . LEU A 1 78 ? 17.012 102.450 -21.947 1.00 52.27 ? 79 LEU A C 1 +ATOM 504 O O . LEU A 1 78 ? 17.316 101.454 -21.305 1.00 53.21 ? 79 LEU A O 1 +ATOM 505 C CB . LEU A 1 78 ? 18.251 101.715 -24.031 1.00 50.86 ? 79 LEU A CB 1 +ATOM 506 C CG . LEU A 1 78 ? 17.009 101.105 -24.656 1.00 51.43 ? 79 LEU A CG 1 +ATOM 507 C CD1 . LEU A 1 78 ? 16.185 102.226 -25.240 1.00 53.69 ? 79 LEU A CD1 1 +ATOM 508 C CD2 . LEU A 1 78 ? 17.340 100.075 -25.713 1.00 51.46 ? 79 LEU A CD2 1 +ATOM 509 N N . LYS A 1 79 ? 15.928 103.192 -21.720 1.00 54.45 ? 80 LYS A N 1 +ATOM 510 C CA . LYS A 1 79 ? 14.846 102.822 -20.777 1.00 57.57 ? 80 LYS A CA 1 +ATOM 511 C C . LYS A 1 79 ? 13.519 102.698 -21.542 1.00 59.06 ? 80 LYS A C 1 +ATOM 512 O O . LYS A 1 79 ? 13.488 102.892 -22.779 1.00 58.75 ? 80 LYS A O 1 +ATOM 513 C CB . LYS A 1 79 ? 14.677 103.872 -19.666 1.00 60.79 ? 80 LYS A CB 1 +ATOM 514 C CG . LYS A 1 79 ? 15.866 104.185 -18.753 1.00 61.32 ? 80 LYS A CG 1 +ATOM 515 C CD . LYS A 1 79 ? 15.869 105.647 -18.288 1.00 62.39 ? 80 LYS A CD 1 +ATOM 516 C CE . LYS A 1 79 ? 16.303 105.869 -16.857 1.00 64.20 ? 80 LYS A CE 1 +ATOM 517 N NZ . LYS A 1 79 ? 17.706 105.444 -16.655 1.00 64.91 ? 80 LYS A NZ 1 +ATOM 518 N N . GLY A 1 80 ? 12.445 102.425 -20.797 1.00 61.51 ? 81 GLY A N 1 +ATOM 519 C CA . GLY A 1 80 ? 11.078 102.371 -21.324 1.00 63.62 ? 81 GLY A CA 1 +ATOM 520 C C . GLY A 1 80 ? 10.956 101.227 -22.302 1.00 66.20 ? 81 GLY A C 1 +ATOM 521 O O . GLY A 1 80 ? 11.700 100.231 -22.163 1.00 68.46 ? 81 GLY A O 1 +ATOM 522 N N . GLY A 1 81 ? 10.066 101.371 -23.277 1.00 67.06 ? 82 GLY A N 1 +ATOM 523 C CA . GLY A 1 81 ? 9.608 100.256 -24.112 1.00 64.25 ? 82 GLY A CA 1 +ATOM 524 C C . GLY A 1 81 ? 9.189 99.111 -23.203 1.00 65.54 ? 82 GLY A C 1 +ATOM 525 O O . GLY A 1 81 ? 8.607 99.318 -22.133 1.00 67.08 ? 82 GLY A O 1 +ATOM 526 N N . PRO A 1 82 ? 9.559 97.874 -23.567 1.00 63.26 ? 83 PRO A N 1 +ATOM 527 C CA . PRO A 1 82 ? 9.202 96.712 -22.768 1.00 62.64 ? 83 PRO A CA 1 +ATOM 528 C C . PRO A 1 82 ? 10.096 96.517 -21.539 1.00 61.83 ? 83 PRO A C 1 +ATOM 529 O O . PRO A 1 82 ? 9.814 95.608 -20.822 1.00 65.47 ? 83 PRO A O 1 +ATOM 530 C CB . PRO A 1 82 ? 9.482 95.585 -23.772 1.00 61.48 ? 83 PRO A CB 1 +ATOM 531 C CG . PRO A 1 82 ? 10.725 96.075 -24.453 1.00 60.37 ? 83 PRO A CG 1 +ATOM 532 C CD . PRO A 1 82 ? 10.400 97.529 -24.720 1.00 61.09 ? 83 PRO A CD 1 +ATOM 533 N N . LEU A 1 83 ? 11.159 97.305 -21.369 1.00 59.46 ? 84 LEU A N 1 +ATOM 534 C CA . LEU A 1 83 ? 12.314 96.916 -20.506 1.00 60.15 ? 84 LEU A CA 1 +ATOM 535 C C . LEU A 1 83 ? 12.110 97.366 -19.050 1.00 60.31 ? 84 LEU A C 1 +ATOM 536 O O . LEU A 1 83 ? 11.696 98.519 -18.875 1.00 60.28 ? 84 LEU A O 1 +ATOM 537 C CB . LEU A 1 83 ? 13.591 97.588 -21.022 1.00 59.42 ? 84 LEU A CB 1 +ATOM 538 C CG . LEU A 1 83 ? 13.928 97.512 -22.510 1.00 56.41 ? 84 LEU A CG 1 +ATOM 539 C CD1 . LEU A 1 83 ? 14.925 98.604 -22.834 1.00 56.14 ? 84 LEU A CD1 1 +ATOM 540 C CD2 . LEU A 1 83 ? 14.525 96.165 -22.878 1.00 56.37 ? 84 LEU A CD2 1 +ATOM 541 N N . ASP A 1 84 ? 12.485 96.532 -18.066 1.00 61.31 ? 85 ASP A N 1 +ATOM 542 C CA . ASP A 1 84 ? 12.610 96.899 -16.612 1.00 63.93 ? 85 ASP A CA 1 +ATOM 543 C C . ASP A 1 84 ? 14.058 97.325 -16.336 1.00 62.35 ? 85 ASP A C 1 +ATOM 544 O O . ASP A 1 84 ? 14.974 96.436 -16.369 1.00 61.90 ? 85 ASP A O 1 +ATOM 545 C CB . ASP A 1 84 ? 12.190 95.782 -15.640 1.00 63.61 ? 85 ASP A CB 1 +ATOM 546 N N . GLY A 1 85 ? 14.251 98.636 -16.158 1.00 62.20 ? 86 GLY A N 1 +ATOM 547 C CA . GLY A 1 85 ? 15.522 99.260 -15.751 1.00 63.40 ? 86 GLY A CA 1 +ATOM 548 C C . GLY A 1 85 ? 16.228 100.018 -16.868 1.00 64.17 ? 86 GLY A C 1 +ATOM 549 O O . GLY A 1 85 ? 15.562 100.440 -17.858 1.00 63.89 ? 86 GLY A O 1 +ATOM 550 N N . THR A 1 86 ? 17.546 100.203 -16.679 1.00 63.35 ? 87 THR A N 1 +ATOM 551 C CA . THR A 1 86 ? 18.481 100.977 -17.537 1.00 59.38 ? 87 THR A CA 1 +ATOM 552 C C . THR A 1 86 ? 19.434 100.021 -18.253 1.00 55.67 ? 87 THR A C 1 +ATOM 553 O O . THR A 1 86 ? 20.107 99.182 -17.585 1.00 50.35 ? 87 THR A O 1 +ATOM 554 C CB . THR A 1 86 ? 19.283 101.972 -16.689 1.00 61.75 ? 87 THR A CB 1 +ATOM 555 O OG1 . THR A 1 86 ? 18.343 102.638 -15.847 1.00 62.92 ? 87 THR A OG1 1 +ATOM 556 C CG2 . THR A 1 86 ? 20.068 102.989 -17.493 1.00 61.96 ? 87 THR A CG2 1 +ATOM 557 N N . TYR A 1 87 ? 19.508 100.159 -19.579 1.00 54.29 ? 88 TYR A N 1 +ATOM 558 C CA . TYR A 1 87 ? 20.423 99.343 -20.412 1.00 51.59 ? 88 TYR A CA 1 +ATOM 559 C C . TYR A 1 87 ? 21.501 100.256 -20.963 1.00 52.23 ? 88 TYR A C 1 +ATOM 560 O O . TYR A 1 87 ? 21.159 101.370 -21.311 1.00 56.16 ? 88 TYR A O 1 +ATOM 561 C CB . TYR A 1 87 ? 19.624 98.604 -21.462 1.00 49.78 ? 88 TYR A CB 1 +ATOM 562 C CG . TYR A 1 87 ? 18.804 97.449 -20.955 1.00 48.44 ? 88 TYR A CG 1 +ATOM 563 C CD1 . TYR A 1 87 ? 17.649 97.665 -20.245 1.00 51.69 ? 88 TYR A CD1 1 +ATOM 564 C CD2 . TYR A 1 87 ? 19.157 96.149 -21.224 1.00 46.56 ? 88 TYR A CD2 1 +ATOM 565 C CE1 . TYR A 1 87 ? 16.862 96.617 -19.799 1.00 53.41 ? 88 TYR A CE1 1 +ATOM 566 C CE2 . TYR A 1 87 ? 18.370 95.095 -20.824 1.00 49.04 ? 88 TYR A CE2 1 +ATOM 567 C CZ . TYR A 1 87 ? 17.215 95.317 -20.092 1.00 52.39 ? 88 TYR A CZ 1 +ATOM 568 O OH . TYR A 1 87 ? 16.440 94.272 -19.625 1.00 53.84 ? 88 TYR A OH 1 +ATOM 569 N N . ARG A 1 88 ? 22.762 99.839 -20.911 1.00 53.09 ? 89 ARG A N 1 +ATOM 570 C CA . ARG A 1 88 ? 23.915 100.689 -21.307 1.00 53.28 ? 89 ARG A CA 1 +ATOM 571 C C . ARG A 1 88 ? 24.342 100.329 -22.731 1.00 52.03 ? 89 ARG A C 1 +ATOM 572 O O . ARG A 1 88 ? 24.461 99.131 -23.024 1.00 51.96 ? 89 ARG A O 1 +ATOM 573 C CB . ARG A 1 88 ? 25.059 100.497 -20.315 1.00 54.97 ? 89 ARG A CB 1 +ATOM 574 C CG . ARG A 1 88 ? 25.056 101.526 -19.203 1.00 57.73 ? 89 ARG A CG 1 +ATOM 575 C CD . ARG A 1 88 ? 26.345 101.587 -18.416 1.00 60.21 ? 89 ARG A CD 1 +ATOM 576 N NE . ARG A 1 88 ? 26.006 102.043 -17.081 1.00 62.82 ? 89 ARG A NE 1 +ATOM 577 C CZ . ARG A 1 88 ? 26.654 101.726 -15.976 1.00 65.36 ? 89 ARG A CZ 1 +ATOM 578 N NH1 . ARG A 1 88 ? 27.719 100.943 -16.011 1.00 66.04 ? 89 ARG A NH1 1 +ATOM 579 N NH2 . ARG A 1 88 ? 26.218 102.198 -14.824 1.00 69.44 ? 89 ARG A NH2 1 +ATOM 580 N N . LEU A 1 89 ? 24.552 101.320 -23.590 1.00 51.80 ? 90 LEU A N 1 +ATOM 581 C CA . LEU A 1 89 ? 25.059 101.076 -24.959 1.00 52.37 ? 90 LEU A CA 1 +ATOM 582 C C . LEU A 1 89 ? 26.498 100.574 -24.845 1.00 55.10 ? 90 LEU A C 1 +ATOM 583 O O . LEU A 1 89 ? 27.319 101.268 -24.235 1.00 56.89 ? 90 LEU A O 1 +ATOM 584 C CB . LEU A 1 89 ? 25.008 102.349 -25.798 1.00 52.20 ? 90 LEU A CB 1 +ATOM 585 C CG . LEU A 1 89 ? 25.483 102.136 -27.230 1.00 51.48 ? 90 LEU A CG 1 +ATOM 586 C CD1 . LEU A 1 89 ? 24.638 101.095 -27.919 1.00 50.48 ? 90 LEU A CD1 1 +ATOM 587 C CD2 . LEU A 1 89 ? 25.488 103.424 -28.024 1.00 52.78 ? 90 LEU A CD2 1 +ATOM 588 N N . ILE A 1 90 ? 26.797 99.403 -25.404 1.00 56.39 ? 91 ILE A N 1 +ATOM 589 C CA . ILE A 1 90 ? 28.173 98.843 -25.370 1.00 56.44 ? 91 ILE A CA 1 +ATOM 590 C C . ILE A 1 90 ? 28.743 98.865 -26.792 1.00 57.60 ? 91 ILE A C 1 +ATOM 591 O O . ILE A 1 90 ? 29.924 99.254 -26.965 1.00 57.16 ? 91 ILE A O 1 +ATOM 592 C CB . ILE A 1 90 ? 28.153 97.468 -24.696 1.00 56.17 ? 91 ILE A CB 1 +ATOM 593 C CG1 . ILE A 1 90 ? 29.534 96.822 -24.695 1.00 60.15 ? 91 ILE A CG1 1 +ATOM 594 C CG2 . ILE A 1 90 ? 27.119 96.561 -25.295 1.00 54.26 ? 91 ILE A CG2 1 +ATOM 595 C CD1 . ILE A 1 90 ? 29.810 96.038 -23.431 1.00 62.66 ? 91 ILE A CD1 1 +ATOM 596 N N . GLN A 1 91 ? 27.939 98.551 -27.801 1.00 58.43 ? 92 GLN A N 1 +ATOM 597 C CA . GLN A 1 91 ? 28.447 98.611 -29.189 1.00 60.86 ? 92 GLN A CA 1 +ATOM 598 C C . GLN A 1 91 ? 27.309 98.587 -30.184 1.00 58.59 ? 92 GLN A C 1 +ATOM 599 O O . GLN A 1 91 ? 26.173 98.304 -29.802 1.00 56.69 ? 92 GLN A O 1 +ATOM 600 C CB . GLN A 1 91 ? 29.402 97.448 -29.442 1.00 64.81 ? 92 GLN A CB 1 +ATOM 601 C CG . GLN A 1 91 ? 28.849 96.078 -29.075 1.00 65.98 ? 92 GLN A CG 1 +ATOM 602 C CD . GLN A 1 91 ? 28.496 95.317 -30.327 1.00 70.56 ? 92 GLN A CD 1 +ATOM 603 O OE1 . GLN A 1 91 ? 28.545 95.856 -31.434 1.00 77.94 ? 92 GLN A OE1 1 +ATOM 604 N NE2 . GLN A 1 91 ? 28.118 94.060 -30.165 1.00 72.97 ? 92 GLN A NE2 1 +ATOM 605 N N . PHE A 1 92 ? 27.635 98.900 -31.423 1.00 61.16 ? 93 PHE A N 1 +ATOM 606 C CA . PHE A 1 92 ? 26.727 98.631 -32.557 1.00 65.79 ? 93 PHE A CA 1 +ATOM 607 C C . PHE A 1 92 ? 27.537 98.110 -33.738 1.00 69.33 ? 93 PHE A C 1 +ATOM 608 O O . PHE A 1 92 ? 28.720 98.391 -33.859 1.00 76.58 ? 93 PHE A O 1 +ATOM 609 C CB . PHE A 1 92 ? 25.865 99.852 -32.877 1.00 66.77 ? 93 PHE A CB 1 +ATOM 610 C CG . PHE A 1 92 ? 26.536 100.909 -33.704 1.00 68.78 ? 93 PHE A CG 1 +ATOM 611 C CD1 . PHE A 1 92 ? 26.634 100.772 -35.084 1.00 69.72 ? 93 PHE A CD1 1 +ATOM 612 C CD2 . PHE A 1 92 ? 27.040 102.050 -33.099 1.00 69.35 ? 93 PHE A CD2 1 +ATOM 613 C CE1 . PHE A 1 92 ? 27.251 101.754 -35.840 1.00 70.72 ? 93 PHE A CE1 1 +ATOM 614 C CE2 . PHE A 1 92 ? 27.645 103.038 -33.858 1.00 71.95 ? 93 PHE A CE2 1 +ATOM 615 C CZ . PHE A 1 92 ? 27.750 102.886 -35.228 1.00 72.93 ? 93 PHE A CZ 1 +ATOM 616 N N . HIS A 1 93 ? 26.882 97.333 -34.580 1.00 71.26 ? 94 HIS A N 1 +ATOM 617 C CA . HIS A 1 93 ? 27.492 96.711 -35.769 1.00 75.16 ? 94 HIS A CA 1 +ATOM 618 C C . HIS A 1 93 ? 26.375 96.461 -36.782 1.00 75.23 ? 94 HIS A C 1 +ATOM 619 O O . HIS A 1 93 ? 25.184 96.525 -36.374 1.00 71.45 ? 94 HIS A O 1 +ATOM 620 C CB . HIS A 1 93 ? 28.200 95.425 -35.348 1.00 77.69 ? 94 HIS A CB 1 +ATOM 621 C CG . HIS A 1 93 ? 27.219 94.452 -34.822 1.00 78.75 ? 94 HIS A CG 1 +ATOM 622 N ND1 . HIS A 1 93 ? 26.540 94.723 -33.681 1.00 79.07 ? 94 HIS A ND1 1 +ATOM 623 C CD2 . HIS A 1 93 ? 26.732 93.293 -35.312 1.00 83.27 ? 94 HIS A CD2 1 +ATOM 624 C CE1 . HIS A 1 93 ? 25.723 93.734 -33.427 1.00 85.63 ? 94 HIS A CE1 1 +ATOM 625 N NE2 . HIS A 1 93 ? 25.781 92.861 -34.432 1.00 86.62 ? 94 HIS A NE2 1 +ATOM 626 N N . PHE A 1 94 ? 26.737 96.164 -38.034 1.00 73.68 ? 95 PHE A N 1 +ATOM 627 C CA . PHE A 1 94 ? 25.749 95.950 -39.106 1.00 75.38 ? 95 PHE A CA 1 +ATOM 628 C C . PHE A 1 94 ? 25.823 94.536 -39.653 1.00 80.78 ? 95 PHE A C 1 +ATOM 629 O O . PHE A 1 94 ? 26.908 93.929 -39.576 1.00 81.72 ? 95 PHE A O 1 +ATOM 630 C CB . PHE A 1 94 ? 26.049 96.902 -40.242 1.00 77.92 ? 95 PHE A CB 1 +ATOM 631 C CG . PHE A 1 94 ? 26.080 98.338 -39.827 1.00 75.96 ? 95 PHE A CG 1 +ATOM 632 C CD1 . PHE A 1 94 ? 27.243 98.901 -39.331 1.00 77.11 ? 95 PHE A CD1 1 +ATOM 633 C CD2 . PHE A 1 94 ? 24.952 99.123 -39.966 1.00 77.04 ? 95 PHE A CD2 1 +ATOM 634 C CE1 . PHE A 1 94 ? 27.278 100.242 -38.980 1.00 78.23 ? 95 PHE A CE1 1 +ATOM 635 C CE2 . PHE A 1 94 ? 24.988 100.465 -39.623 1.00 78.94 ? 95 PHE A CE2 1 +ATOM 636 C CZ . PHE A 1 94 ? 26.151 101.021 -39.130 1.00 79.22 ? 95 PHE A CZ 1 +ATOM 637 N N . HIS A 1 95 ? 24.696 94.079 -40.211 1.00 87.11 ? 96 HIS A N 1 +ATOM 638 C CA . HIS A 1 95 ? 24.583 92.944 -41.170 1.00 95.36 ? 96 HIS A CA 1 +ATOM 639 C C . HIS A 1 95 ? 24.079 93.476 -42.527 1.00 98.02 ? 96 HIS A C 1 +ATOM 640 O O . HIS A 1 95 ? 23.204 94.371 -42.527 1.00 95.13 ? 96 HIS A O 1 +ATOM 641 C CB . HIS A 1 95 ? 23.687 91.845 -40.578 1.00 96.63 ? 96 HIS A CB 1 +ATOM 642 C CG . HIS A 1 95 ? 23.992 91.558 -39.150 1.00 99.08 ? 96 HIS A CG 1 +ATOM 643 N ND1 . HIS A 1 95 ? 25.096 90.818 -38.751 1.00 105.13 ? 96 HIS A ND1 1 +ATOM 644 C CD2 . HIS A 1 95 ? 23.369 91.944 -38.019 1.00 98.54 ? 96 HIS A CD2 1 +ATOM 645 C CE1 . HIS A 1 95 ? 25.126 90.748 -37.430 1.00 98.80 ? 96 HIS A CE1 1 +ATOM 646 N NE2 . HIS A 1 95 ? 24.071 91.424 -36.960 1.00 98.34 ? 96 HIS A NE2 1 +ATOM 647 N N . TRP A 1 96 ? 24.601 92.942 -43.639 1.00 102.58 ? 97 TRP A N 1 +ATOM 648 C CA . TRP A 1 96 ? 24.352 93.452 -45.019 1.00 109.37 ? 97 TRP A CA 1 +ATOM 649 C C . TRP A 1 96 ? 24.678 92.379 -46.064 1.00 111.07 ? 97 TRP A C 1 +ATOM 650 O O . TRP A 1 96 ? 25.501 91.503 -45.767 1.00 108.20 ? 97 TRP A O 1 +ATOM 651 C CB . TRP A 1 96 ? 25.162 94.732 -45.272 1.00 111.90 ? 97 TRP A CB 1 +ATOM 652 C CG . TRP A 1 96 ? 26.652 94.554 -45.297 1.00 112.69 ? 97 TRP A CG 1 +ATOM 653 C CD1 . TRP A 1 96 ? 27.426 94.355 -46.400 1.00 114.22 ? 97 TRP A CD1 1 +ATOM 654 C CD2 . TRP A 1 96 ? 27.560 94.586 -44.175 1.00 111.98 ? 97 TRP A CD2 1 +ATOM 655 N NE1 . TRP A 1 96 ? 28.743 94.254 -46.047 1.00 114.64 ? 97 TRP A NE1 1 +ATOM 656 C CE2 . TRP A 1 96 ? 28.861 94.394 -44.694 1.00 111.68 ? 97 TRP A CE2 1 +ATOM 657 C CE3 . TRP A 1 96 ? 27.405 94.750 -42.791 1.00 105.68 ? 97 TRP A CE3 1 +ATOM 658 C CZ2 . TRP A 1 96 ? 29.996 94.369 -43.884 1.00 112.82 ? 97 TRP A CZ2 1 +ATOM 659 C CZ3 . TRP A 1 96 ? 28.527 94.723 -41.990 1.00 107.23 ? 97 TRP A CZ3 1 +ATOM 660 C CH2 . TRP A 1 96 ? 29.803 94.529 -42.530 1.00 111.13 ? 97 TRP A CH2 1 +ATOM 661 N N . GLY A 1 97 ? 24.092 92.505 -47.259 1.00 118.45 ? 98 GLY A N 1 +ATOM 662 C CA . GLY A 1 97 ? 24.033 91.445 -48.292 1.00 126.93 ? 98 GLY A CA 1 +ATOM 663 C C . GLY A 1 97 ? 24.934 91.686 -49.504 1.00 130.31 ? 98 GLY A C 1 +ATOM 664 O O . GLY A 1 97 ? 25.859 92.529 -49.427 1.00 131.35 ? 98 GLY A O 1 +ATOM 665 N N . SER A 1 98 ? 24.678 90.945 -50.590 1.00 128.66 ? 99 SER A N 1 +ATOM 666 C CA . SER A 1 98 ? 25.405 91.009 -51.885 1.00 128.17 ? 99 SER A CA 1 +ATOM 667 C C . SER A 1 98 ? 24.562 91.795 -52.905 1.00 127.50 ? 99 SER A C 1 +ATOM 668 O O . SER A 1 98 ? 24.999 92.895 -53.298 1.00 123.99 ? 99 SER A O 1 +ATOM 669 C CB . SER A 1 98 ? 25.751 89.623 -52.363 1.00 128.16 ? 99 SER A CB 1 +ATOM 670 N N . LEU A 1 99 ? 23.423 91.229 -53.334 1.00 128.19 ? 100 LEU A N 1 +ATOM 671 C CA . LEU A 1 99 ? 22.229 91.966 -53.846 1.00 127.33 ? 100 LEU A CA 1 +ATOM 672 C C . LEU A 1 99 ? 21.484 92.538 -52.623 1.00 125.02 ? 100 LEU A C 1 +ATOM 673 O O . LEU A 1 99 ? 21.761 92.067 -51.484 1.00 117.48 ? 100 LEU A O 1 +ATOM 674 C CB . LEU A 1 99 ? 21.349 91.023 -54.680 1.00 123.45 ? 100 LEU A CB 1 +ATOM 675 N N . ASP A 1 100 ? 20.574 93.501 -52.840 1.00 126.76 ? 101 ASP A N 1 +ATOM 676 C CA . ASP A 1 100 ? 20.074 94.447 -51.796 1.00 124.92 ? 101 ASP A CA 1 +ATOM 677 C C . ASP A 1 100 ? 18.629 94.120 -51.345 1.00 123.59 ? 101 ASP A C 1 +ATOM 678 O O . ASP A 1 100 ? 18.143 94.760 -50.372 1.00 114.84 ? 101 ASP A O 1 +ATOM 679 C CB . ASP A 1 100 ? 20.259 95.885 -52.298 1.00 124.77 ? 101 ASP A CB 1 +ATOM 680 C CG . ASP A 1 100 ? 21.704 96.206 -52.658 1.00 124.04 ? 101 ASP A CG 1 +ATOM 681 O OD1 . ASP A 1 100 ? 22.609 95.475 -52.178 1.00 119.96 ? 101 ASP A OD1 1 +ATOM 682 O OD2 . ASP A 1 100 ? 21.917 97.172 -53.424 1.00 125.05 ? 101 ASP A OD2 1 +ATOM 683 N N . GLY A 1 101 ? 17.966 93.147 -51.986 1.00 125.91 ? 102 GLY A N 1 +ATOM 684 C CA . GLY A 1 101 ? 16.668 92.592 -51.550 1.00 121.56 ? 102 GLY A CA 1 +ATOM 685 C C . GLY A 1 101 ? 16.871 91.407 -50.624 1.00 117.61 ? 102 GLY A C 1 +ATOM 686 O O . GLY A 1 101 ? 15.937 90.597 -50.497 1.00 115.19 ? 102 GLY A O 1 +ATOM 687 N N . GLN A 1 102 ? 18.047 91.401 -49.980 1.00 117.41 ? 103 GLN A N 1 +ATOM 688 C CA . GLN A 1 102 ? 18.546 90.417 -48.981 1.00 117.70 ? 103 GLN A CA 1 +ATOM 689 C C . GLN A 1 102 ? 19.670 91.116 -48.201 1.00 118.34 ? 103 GLN A C 1 +ATOM 690 O O . GLN A 1 102 ? 20.336 91.984 -48.799 1.00 126.39 ? 103 GLN A O 1 +ATOM 691 C CB . GLN A 1 102 ? 19.053 89.154 -49.679 1.00 114.30 ? 103 GLN A CB 1 +ATOM 692 C CG . GLN A 1 102 ? 19.503 89.389 -51.114 1.00 112.57 ? 103 GLN A CG 1 +ATOM 693 C CD . GLN A 1 102 ? 19.827 88.099 -51.827 1.00 114.74 ? 103 GLN A CD 1 +ATOM 694 O OE1 . GLN A 1 102 ? 19.548 87.008 -51.337 1.00 109.68 ? 103 GLN A OE1 1 +ATOM 695 N NE2 . GLN A 1 102 ? 20.425 88.218 -53.002 1.00 117.61 ? 103 GLN A NE2 1 +ATOM 696 N N . GLY A 1 103 ? 19.877 90.762 -46.927 1.00 109.16 ? 104 GLY A N 1 +ATOM 697 C CA . GLY A 1 103 ? 20.906 91.425 -46.098 1.00 104.27 ? 104 GLY A CA 1 +ATOM 698 C C . GLY A 1 103 ? 20.555 91.708 -44.643 1.00 96.16 ? 104 GLY A C 1 +ATOM 699 O O . GLY A 1 103 ? 21.477 91.747 -43.804 1.00 92.75 ? 104 GLY A O 1 +ATOM 700 N N . SER A 1 104 ? 19.281 91.957 -44.354 1.00 88.26 ? 105 SER A N 1 +ATOM 701 C CA . SER A 1 104 ? 18.771 92.169 -42.983 1.00 82.92 ? 105 SER A CA 1 +ATOM 702 C C . SER A 1 104 ? 18.638 90.825 -42.252 1.00 80.31 ? 105 SER A C 1 +ATOM 703 O O . SER A 1 104 ? 18.349 89.808 -42.939 1.00 76.95 ? 105 SER A O 1 +ATOM 704 C CB . SER A 1 104 ? 17.471 92.938 -43.042 1.00 82.73 ? 105 SER A CB 1 +ATOM 705 O OG . SER A 1 104 ? 16.388 92.092 -43.459 1.00 83.18 ? 105 SER A OG 1 +ATOM 706 N N . GLU A 1 105 ? 18.843 90.820 -40.921 1.00 75.98 ? 106 GLU A N 1 +ATOM 707 C CA . GLU A 1 105 ? 18.595 89.633 -40.062 1.00 73.15 ? 106 GLU A CA 1 +ATOM 708 C C . GLU A 1 105 ? 17.066 89.468 -39.921 1.00 71.14 ? 106 GLU A C 1 +ATOM 709 O O . GLU A 1 105 ? 16.549 88.407 -40.324 1.00 70.98 ? 106 GLU A O 1 +ATOM 710 C CB . GLU A 1 105 ? 19.408 89.709 -38.758 1.00 74.89 ? 106 GLU A CB 1 +ATOM 711 C CG . GLU A 1 105 ? 20.943 89.762 -38.941 1.00 77.52 ? 106 GLU A CG 1 +ATOM 712 C CD . GLU A 1 105 ? 21.820 88.604 -38.418 1.00 78.34 ? 106 GLU A CD 1 +ATOM 713 O OE1 . GLU A 1 105 ? 23.010 88.835 -38.100 1.00 76.40 ? 106 GLU A OE1 1 +ATOM 714 O OE2 . GLU A 1 105 ? 21.347 87.455 -38.357 1.00 82.60 ? 106 GLU A OE2 1 +ATOM 715 N N . HIS A 1 106 ? 16.321 90.465 -39.444 1.00 68.42 ? 107 HIS A N 1 +ATOM 716 C CA . HIS A 1 106 ? 14.851 90.301 -39.262 1.00 70.75 ? 107 HIS A CA 1 +ATOM 717 C C . HIS A 1 106 ? 14.144 90.582 -40.592 1.00 75.43 ? 107 HIS A C 1 +ATOM 718 O O . HIS A 1 106 ? 14.783 91.172 -41.489 1.00 79.53 ? 107 HIS A O 1 +ATOM 719 C CB . HIS A 1 106 ? 14.300 91.198 -38.145 1.00 69.58 ? 107 HIS A CB 1 +ATOM 720 C CG . HIS A 1 106 ? 14.696 90.836 -36.753 1.00 66.97 ? 107 HIS A CG 1 +ATOM 721 N ND1 . HIS A 1 106 ? 15.846 91.326 -36.166 1.00 66.10 ? 107 HIS A ND1 1 +ATOM 722 C CD2 . HIS A 1 106 ? 14.066 90.109 -35.802 1.00 66.85 ? 107 HIS A CD2 1 +ATOM 723 C CE1 . HIS A 1 106 ? 15.923 90.890 -34.916 1.00 65.28 ? 107 HIS A CE1 1 +ATOM 724 N NE2 . HIS A 1 106 ? 14.838 90.153 -34.661 1.00 64.80 ? 107 HIS A NE2 1 +ATOM 725 N N . THR A 1 107 ? 12.868 90.188 -40.712 1.00 78.47 ? 108 THR A N 1 +ATOM 726 C CA . THR A 1 107 ? 12.037 90.329 -41.944 1.00 80.70 ? 108 THR A CA 1 +ATOM 727 C C . THR A 1 107 ? 10.617 90.771 -41.547 1.00 82.23 ? 108 THR A C 1 +ATOM 728 O O . THR A 1 107 ? 10.180 90.450 -40.420 1.00 79.73 ? 108 THR A O 1 +ATOM 729 C CB . THR A 1 107 ? 12.117 89.047 -42.800 1.00 81.68 ? 108 THR A CB 1 +ATOM 730 O OG1 . THR A 1 107 ? 11.398 87.953 -42.215 1.00 79.74 ? 108 THR A OG1 1 +ATOM 731 C CG2 . THR A 1 107 ? 13.548 88.598 -43.039 1.00 80.10 ? 108 THR A CG2 1 +ATOM 732 N N . VAL A 1 108 ? 9.914 91.495 -42.426 1.00 86.44 ? 109 VAL A N 1 +ATOM 733 C CA . VAL A 1 108 ? 8.506 91.927 -42.166 1.00 88.59 ? 109 VAL A CA 1 +ATOM 734 C C . VAL A 1 108 ? 7.557 91.380 -43.242 1.00 95.75 ? 109 VAL A C 1 +ATOM 735 O O . VAL A 1 108 ? 7.570 91.896 -44.365 1.00 104.95 ? 109 VAL A O 1 +ATOM 736 C CB . VAL A 1 108 ? 8.421 93.453 -42.071 1.00 84.72 ? 109 VAL A CB 1 +ATOM 737 C CG1 . VAL A 1 108 ? 6.999 93.909 -41.792 1.00 83.87 ? 109 VAL A CG1 1 +ATOM 738 C CG2 . VAL A 1 108 ? 9.392 93.967 -41.025 1.00 82.60 ? 109 VAL A CG2 1 +ATOM 739 N N . ASP A 1 109 ? 6.709 90.414 -42.879 1.00 98.01 ? 110 ASP A N 1 +ATOM 740 C CA . ASP A 1 109 ? 5.834 89.668 -43.818 1.00 100.02 ? 110 ASP A CA 1 +ATOM 741 C C . ASP A 1 109 ? 6.737 89.060 -44.900 1.00 101.64 ? 110 ASP A C 1 +ATOM 742 O O . ASP A 1 109 ? 6.350 89.079 -46.074 1.00 109.17 ? 110 ASP A O 1 +ATOM 743 C CB . ASP A 1 109 ? 4.732 90.583 -44.358 1.00 101.82 ? 110 ASP A CB 1 +ATOM 744 C CG . ASP A 1 109 ? 3.759 91.067 -43.296 1.00 101.19 ? 110 ASP A CG 1 +ATOM 745 O OD1 . ASP A 1 109 ? 3.008 90.228 -42.744 1.00 103.28 ? 110 ASP A OD1 1 +ATOM 746 O OD2 . ASP A 1 109 ? 3.759 92.281 -43.027 1.00 102.20 ? 110 ASP A OD2 1 +ATOM 747 N N . LYS A 1 110 ? 7.907 88.561 -44.488 1.00 100.23 ? 111 LYS A N 1 +ATOM 748 C CA . LYS A 1 110 ? 8.970 87.913 -45.310 1.00 100.84 ? 111 LYS A CA 1 +ATOM 749 C C . LYS A 1 110 ? 9.718 88.937 -46.176 1.00 98.92 ? 111 LYS A C 1 +ATOM 750 O O . LYS A 1 110 ? 10.466 88.491 -47.071 1.00 99.44 ? 111 LYS A O 1 +ATOM 751 C CB . LYS A 1 110 ? 8.423 86.969 -46.389 1.00 105.87 ? 111 LYS A CB 1 +ATOM 752 C CG . LYS A 1 110 ? 7.178 86.155 -46.051 1.00 108.03 ? 111 LYS A CG 1 +ATOM 753 C CD . LYS A 1 110 ? 7.134 85.590 -44.651 1.00 105.35 ? 111 LYS A CD 1 +ATOM 754 C CE . LYS A 1 110 ? 6.553 84.192 -44.608 1.00 106.64 ? 111 LYS A CE 1 +ATOM 755 N NZ . LYS A 1 110 ? 7.445 83.213 -45.280 1.00 107.60 ? 111 LYS A NZ 1 +ATOM 756 N N . LYS A 1 111 ? 9.505 90.241 -45.953 1.00 96.50 ? 112 LYS A N 1 +ATOM 757 C CA . LYS A 1 111 ? 10.087 91.338 -46.776 1.00 97.64 ? 112 LYS A CA 1 +ATOM 758 C C . LYS A 1 111 ? 11.440 91.579 -46.095 1.00 93.61 ? 112 LYS A C 1 +ATOM 759 O O . LYS A 1 111 ? 11.486 91.527 -44.845 1.00 91.64 ? 112 LYS A O 1 +ATOM 760 C CB . LYS A 1 111 ? 9.189 92.582 -46.788 1.00 101.06 ? 112 LYS A CB 1 +ATOM 761 C CG . LYS A 1 111 ? 9.827 93.886 -47.254 1.00 106.76 ? 112 LYS A CG 1 +ATOM 762 C CD . LYS A 1 111 ? 9.220 95.142 -46.611 1.00 107.79 ? 112 LYS A CD 1 +ATOM 763 C CE . LYS A 1 111 ? 9.690 96.445 -47.236 1.00 108.14 ? 112 LYS A CE 1 +ATOM 764 N NZ . LYS A 1 111 ? 11.173 96.557 -47.263 1.00 106.82 ? 112 LYS A NZ 1 +ATOM 765 N N . LYS A 1 112 ? 12.491 91.835 -46.884 1.00 92.83 ? 113 LYS A N 1 +ATOM 766 C CA . LYS A 1 112 ? 13.900 91.967 -46.410 1.00 92.68 ? 113 LYS A CA 1 +ATOM 767 C C . LYS A 1 112 ? 14.506 93.291 -46.882 1.00 93.37 ? 113 LYS A C 1 +ATOM 768 O O . LYS A 1 112 ? 14.307 93.647 -48.057 1.00 103.83 ? 113 LYS A O 1 +ATOM 769 C CB . LYS A 1 112 ? 14.742 90.786 -46.902 1.00 92.78 ? 113 LYS A CB 1 +ATOM 770 C CG . LYS A 1 112 ? 13.946 89.493 -46.940 1.00 95.69 ? 113 LYS A CG 1 +ATOM 771 C CD . LYS A 1 112 ? 14.724 88.203 -46.834 1.00 96.93 ? 113 LYS A CD 1 +ATOM 772 C CE . LYS A 1 112 ? 13.760 87.038 -46.685 1.00 97.21 ? 113 LYS A CE 1 +ATOM 773 N NZ . LYS A 1 112 ? 14.317 85.781 -47.223 1.00 98.49 ? 113 LYS A NZ 1 +ATOM 774 N N . TYR A 1 113 ? 15.246 93.964 -45.994 1.00 89.32 ? 114 TYR A N 1 +ATOM 775 C CA . TYR A 1 113 ? 15.921 95.274 -46.223 1.00 85.89 ? 114 TYR A CA 1 +ATOM 776 C C . TYR A 1 113 ? 17.348 94.970 -46.693 1.00 85.65 ? 114 TYR A C 1 +ATOM 777 O O . TYR A 1 113 ? 17.748 93.761 -46.610 1.00 86.36 ? 114 TYR A O 1 +ATOM 778 C CB . TYR A 1 113 ? 15.814 96.133 -44.950 1.00 80.80 ? 114 TYR A CB 1 +ATOM 779 C CG . TYR A 1 113 ? 14.376 96.516 -44.598 1.00 78.13 ? 114 TYR A CG 1 +ATOM 780 C CD1 . TYR A 1 113 ? 13.487 95.604 -43.997 1.00 76.66 ? 114 TYR A CD1 1 +ATOM 781 C CD2 . TYR A 1 113 ? 13.884 97.781 -44.862 1.00 78.38 ? 114 TYR A CD2 1 +ATOM 782 C CE1 . TYR A 1 113 ? 12.162 95.947 -43.621 1.00 76.02 ? 114 TYR A CE1 1 +ATOM 783 C CE2 . TYR A 1 113 ? 12.567 98.141 -44.492 1.00 76.76 ? 114 TYR A CE2 1 +ATOM 784 C CZ . TYR A 1 113 ? 11.700 97.219 -43.868 1.00 75.69 ? 114 TYR A CZ 1 +ATOM 785 O OH . TYR A 1 113 ? 10.417 97.597 -43.587 1.00 74.14 ? 114 TYR A OH 1 +ATOM 786 N N . ALA A 1 114 ? 18.060 95.991 -47.202 1.00 85.63 ? 115 ALA A N 1 +ATOM 787 C CA . ALA A 1 114 ? 19.462 95.897 -47.690 1.00 88.26 ? 115 ALA A CA 1 +ATOM 788 C C . ALA A 1 114 ? 20.346 95.471 -46.531 1.00 85.95 ? 115 ALA A C 1 +ATOM 789 O O . ALA A 1 114 ? 21.325 94.731 -46.767 1.00 90.24 ? 115 ALA A O 1 +ATOM 790 C CB . ALA A 1 114 ? 19.958 97.215 -48.243 1.00 88.90 ? 115 ALA A CB 1 +ATOM 791 N N . ALA A 1 115 ? 19.999 95.955 -45.339 1.00 82.55 ? 116 ALA A N 1 +ATOM 792 C CA . ALA A 1 115 ? 20.829 95.829 -44.131 1.00 82.04 ? 116 ALA A CA 1 +ATOM 793 C C . ALA A 1 115 ? 19.992 96.057 -42.866 1.00 80.55 ? 116 ALA A C 1 +ATOM 794 O O . ALA A 1 115 ? 18.808 96.496 -42.961 1.00 79.14 ? 116 ALA A O 1 +ATOM 795 C CB . ALA A 1 115 ? 21.992 96.787 -44.230 1.00 81.34 ? 116 ALA A CB 1 +ATOM 796 N N . GLU A 1 116 ? 20.603 95.694 -41.734 1.00 76.29 ? 117 GLU A N 1 +ATOM 797 C CA . GLU A 1 116 ? 20.071 95.871 -40.368 1.00 73.21 ? 117 GLU A CA 1 +ATOM 798 C C . GLU A 1 116 ? 21.210 96.420 -39.521 1.00 68.84 ? 117 GLU A C 1 +ATOM 799 O O . GLU A 1 116 ? 22.359 95.960 -39.648 1.00 71.34 ? 117 GLU A O 1 +ATOM 800 C CB . GLU A 1 116 ? 19.543 94.557 -39.799 1.00 74.56 ? 117 GLU A CB 1 +ATOM 801 C CG . GLU A 1 116 ? 18.714 94.747 -38.542 1.00 75.77 ? 117 GLU A CG 1 +ATOM 802 C CD . GLU A 1 116 ? 17.868 93.550 -38.118 1.00 78.44 ? 117 GLU A CD 1 +ATOM 803 O OE1 . GLU A 1 116 ? 17.725 92.583 -38.929 1.00 78.20 ? 117 GLU A OE1 1 +ATOM 804 O OE2 . GLU A 1 116 ? 17.343 93.587 -36.962 1.00 83.89 ? 117 GLU A OE2 1 +ATOM 805 N N . LEU A 1 117 ? 20.904 97.425 -38.735 1.00 63.55 ? 118 LEU A N 1 +ATOM 806 C CA . LEU A 1 117 ? 21.857 97.994 -37.764 1.00 63.16 ? 118 LEU A CA 1 +ATOM 807 C C . LEU A 1 117 ? 21.386 97.603 -36.346 1.00 57.44 ? 118 LEU A C 1 +ATOM 808 O O . LEU A 1 117 ? 20.169 97.636 -36.061 1.00 53.33 ? 118 LEU A O 1 +ATOM 809 C CB . LEU A 1 117 ? 21.884 99.497 -38.016 1.00 66.04 ? 118 LEU A CB 1 +ATOM 810 C CG . LEU A 1 117 ? 22.378 100.317 -36.840 1.00 69.86 ? 118 LEU A CG 1 +ATOM 811 C CD1 . LEU A 1 117 ? 23.825 99.959 -36.528 1.00 72.31 ? 118 LEU A CD1 1 +ATOM 812 C CD2 . LEU A 1 117 ? 22.224 101.794 -37.144 1.00 72.56 ? 118 LEU A CD2 1 +ATOM 813 N N . HIS A 1 118 ? 22.292 97.131 -35.511 1.00 53.46 ? 119 HIS A N 1 +ATOM 814 C CA . HIS A 1 118 ? 21.938 96.567 -34.182 1.00 53.29 ? 119 HIS A CA 1 +ATOM 815 C C . HIS A 1 118 ? 22.617 97.379 -33.081 1.00 46.14 ? 119 HIS A C 1 +ATOM 816 O O . HIS A 1 118 ? 23.797 97.228 -32.934 1.00 42.38 ? 119 HIS A O 1 +ATOM 817 C CB . HIS A 1 118 ? 22.349 95.093 -34.132 1.00 56.38 ? 119 HIS A CB 1 +ATOM 818 C CG . HIS A 1 118 ? 21.431 94.176 -34.852 1.00 60.30 ? 119 HIS A CG 1 +ATOM 819 N ND1 . HIS A 1 118 ? 21.824 92.922 -35.239 1.00 66.30 ? 119 HIS A ND1 1 +ATOM 820 C CD2 . HIS A 1 118 ? 20.144 94.307 -35.234 1.00 63.04 ? 119 HIS A CD2 1 +ATOM 821 C CE1 . HIS A 1 118 ? 20.806 92.301 -35.816 1.00 67.97 ? 119 HIS A CE1 1 +ATOM 822 N NE2 . HIS A 1 118 ? 19.760 93.129 -35.821 1.00 65.04 ? 119 HIS A NE2 1 +ATOM 823 N N . LEU A 1 119 ? 21.913 98.242 -32.377 1.00 44.34 ? 120 LEU A N 1 +ATOM 824 C CA . LEU A 1 119 ? 22.546 98.916 -31.209 1.00 47.31 ? 120 LEU A CA 1 +ATOM 825 C C . LEU A 1 119 ? 22.384 98.046 -29.955 1.00 44.65 ? 120 LEU A C 1 +ATOM 826 O O . LEU A 1 119 ? 21.245 97.897 -29.512 1.00 43.48 ? 120 LEU A O 1 +ATOM 827 C CB . LEU A 1 119 ? 21.917 100.287 -30.986 1.00 49.16 ? 120 LEU A CB 1 +ATOM 828 C CG . LEU A 1 119 ? 22.108 101.296 -32.114 1.00 51.16 ? 120 LEU A CG 1 +ATOM 829 C CD1 . LEU A 1 119 ? 20.763 101.871 -32.496 1.00 53.69 ? 120 LEU A CD1 1 +ATOM 830 C CD2 . LEU A 1 119 ? 23.043 102.412 -31.703 1.00 51.32 ? 120 LEU A CD2 1 +ATOM 831 N N . VAL A 1 120 ? 23.481 97.524 -29.420 1.00 42.59 ? 121 VAL A N 1 +ATOM 832 C CA . VAL A 1 120 ? 23.484 96.507 -28.328 1.00 44.80 ? 121 VAL A CA 1 +ATOM 833 C C . VAL A 1 120 ? 23.586 97.149 -26.918 1.00 45.01 ? 121 VAL A C 1 +ATOM 834 O O . VAL A 1 120 ? 24.529 97.903 -26.688 1.00 47.91 ? 121 VAL A O 1 +ATOM 835 C CB . VAL A 1 120 ? 24.667 95.564 -28.594 1.00 45.31 ? 121 VAL A CB 1 +ATOM 836 C CG1 . VAL A 1 120 ? 24.774 94.495 -27.532 1.00 44.16 ? 121 VAL A CG1 1 +ATOM 837 C CG2 . VAL A 1 120 ? 24.614 94.961 -30.001 1.00 45.94 ? 121 VAL A CG2 1 +ATOM 838 N N . HIS A 1 121 ? 22.705 96.846 -25.970 1.00 44.30 ? 122 HIS A N 1 +ATOM 839 C CA . HIS A 1 121 ? 22.756 97.427 -24.595 1.00 46.89 ? 122 HIS A CA 1 +ATOM 840 C C . HIS A 1 121 ? 22.655 96.311 -23.574 1.00 46.84 ? 122 HIS A C 1 +ATOM 841 O O . HIS A 1 121 ? 22.061 95.292 -23.923 1.00 49.72 ? 122 HIS A O 1 +ATOM 842 C CB . HIS A 1 121 ? 21.634 98.442 -24.299 1.00 47.53 ? 122 HIS A CB 1 +ATOM 843 C CG . HIS A 1 121 ? 21.350 99.431 -25.388 1.00 49.18 ? 122 HIS A CG 1 +ATOM 844 N ND1 . HIS A 1 121 ? 20.862 99.056 -26.642 1.00 46.31 ? 122 HIS A ND1 1 +ATOM 845 C CD2 . HIS A 1 121 ? 21.443 100.785 -25.413 1.00 49.03 ? 122 HIS A CD2 1 +ATOM 846 C CE1 . HIS A 1 121 ? 20.623 100.146 -27.340 1.00 47.65 ? 122 HIS A CE1 1 +ATOM 847 N NE2 . HIS A 1 121 ? 20.994 101.208 -26.640 1.00 47.16 ? 122 HIS A NE2 1 +ATOM 848 N N . TRP A 1 122 ? 23.212 96.490 -22.381 1.00 47.19 ? 123 TRP A N 1 +ATOM 849 C CA . TRP A 1 122 ? 23.161 95.452 -21.308 1.00 48.97 ? 123 TRP A CA 1 +ATOM 850 C C . TRP A 1 122 ? 22.550 96.028 -20.037 1.00 49.11 ? 123 TRP A C 1 +ATOM 851 O O . TRP A 1 122 ? 22.866 97.187 -19.730 1.00 48.92 ? 123 TRP A O 1 +ATOM 852 C CB . TRP A 1 122 ? 24.535 94.842 -21.004 1.00 48.23 ? 123 TRP A CB 1 +ATOM 853 C CG . TRP A 1 122 ? 25.563 95.813 -20.538 1.00 48.63 ? 123 TRP A CG 1 +ATOM 854 C CD1 . TRP A 1 122 ? 26.400 96.552 -21.320 1.00 49.43 ? 123 TRP A CD1 1 +ATOM 855 C CD2 . TRP A 1 122 ? 25.898 96.116 -19.186 1.00 49.78 ? 123 TRP A CD2 1 +ATOM 856 N NE1 . TRP A 1 122 ? 27.228 97.307 -20.547 1.00 50.11 ? 123 TRP A NE1 1 +ATOM 857 C CE2 . TRP A 1 122 ? 26.946 97.050 -19.231 1.00 50.92 ? 123 TRP A CE2 1 +ATOM 858 C CE3 . TRP A 1 122 ? 25.416 95.689 -17.946 1.00 52.50 ? 123 TRP A CE3 1 +ATOM 859 C CZ2 . TRP A 1 122 ? 27.498 97.586 -18.073 1.00 53.54 ? 123 TRP A CZ2 1 +ATOM 860 C CZ3 . TRP A 1 122 ? 25.973 96.206 -16.800 1.00 54.03 ? 123 TRP A CZ3 1 +ATOM 861 C CH2 . TRP A 1 122 ? 26.996 97.151 -16.866 1.00 54.59 ? 123 TRP A CH2 1 +ATOM 862 N N . ASN A 1 123 ? 21.774 95.209 -19.330 1.00 49.27 ? 124 ASN A N 1 +ATOM 863 C CA . ASN A 1 123 ? 20.972 95.598 -18.131 1.00 53.26 ? 124 ASN A CA 1 +ATOM 864 C C . ASN A 1 123 ? 21.868 95.792 -16.874 1.00 53.13 ? 124 ASN A C 1 +ATOM 865 O O . ASN A 1 123 ? 22.477 94.805 -16.429 1.00 51.45 ? 124 ASN A O 1 +ATOM 866 C CB . ASN A 1 123 ? 19.884 94.546 -17.878 1.00 54.71 ? 124 ASN A CB 1 +ATOM 867 C CG . ASN A 1 123 ? 19.043 94.906 -16.680 1.00 59.11 ? 124 ASN A CG 1 +ATOM 868 O OD1 . ASN A 1 123 ? 19.490 95.703 -15.852 1.00 61.82 ? 124 ASN A OD1 1 +ATOM 869 N ND2 . ASN A 1 123 ? 17.854 94.327 -16.569 1.00 61.58 ? 124 ASN A ND2 1 +ATOM 870 N N . THR A 1 124 ? 21.941 97.010 -16.322 1.00 52.90 ? 125 THR A N 1 +ATOM 871 C CA . THR A 1 124 ? 22.816 97.389 -15.171 1.00 56.46 ? 125 THR A CA 1 +ATOM 872 C C . THR A 1 124 ? 22.432 96.727 -13.822 1.00 57.99 ? 125 THR A C 1 +ATOM 873 O O . THR A 1 124 ? 23.294 96.666 -12.947 1.00 56.78 ? 125 THR A O 1 +ATOM 874 C CB . THR A 1 124 ? 22.785 98.900 -14.870 1.00 56.88 ? 125 THR A CB 1 +ATOM 875 O OG1 . THR A 1 124 ? 21.455 99.372 -14.634 1.00 56.42 ? 125 THR A OG1 1 +ATOM 876 C CG2 . THR A 1 124 ? 23.391 99.711 -15.993 1.00 56.37 ? 125 THR A CG2 1 +ATOM 877 N N . LYS A 1 125 ? 21.232 96.172 -13.690 1.00 58.87 ? 126 LYS A N 1 +ATOM 878 C CA . LYS A 1 125 ? 20.847 95.112 -12.736 1.00 62.47 ? 126 LYS A CA 1 +ATOM 879 C C . LYS A 1 125 ? 22.027 94.154 -12.497 1.00 64.24 ? 126 LYS A C 1 +ATOM 880 O O . LYS A 1 125 ? 22.280 93.818 -11.300 1.00 72.61 ? 126 LYS A O 1 +ATOM 881 C CB . LYS A 1 125 ? 19.609 94.386 -13.258 1.00 64.62 ? 126 LYS A CB 1 +ATOM 882 C CG . LYS A 1 125 ? 19.181 93.176 -12.441 1.00 71.70 ? 126 LYS A CG 1 +ATOM 883 C CD . LYS A 1 125 ? 17.914 92.480 -12.921 1.00 74.93 ? 126 LYS A CD 1 +ATOM 884 C CE . LYS A 1 125 ? 16.757 93.429 -13.134 1.00 78.40 ? 126 LYS A CE 1 +ATOM 885 N NZ . LYS A 1 125 ? 15.473 92.724 -12.900 1.00 84.22 ? 126 LYS A NZ 1 +ATOM 886 N N . TYR A 1 126 ? 22.769 93.772 -13.538 1.00 62.44 ? 127 TYR A N 1 +ATOM 887 C CA . TYR A 1 126 ? 23.694 92.601 -13.527 1.00 64.52 ? 127 TYR A CA 1 +ATOM 888 C C . TYR A 1 126 ? 25.186 93.008 -13.545 1.00 65.96 ? 127 TYR A C 1 +ATOM 889 O O . TYR A 1 126 ? 26.053 92.088 -13.479 1.00 69.14 ? 127 TYR A O 1 +ATOM 890 C CB . TYR A 1 126 ? 23.391 91.643 -14.691 1.00 64.16 ? 127 TYR A CB 1 +ATOM 891 C CG . TYR A 1 126 ? 22.000 91.062 -14.672 1.00 64.60 ? 127 TYR A CG 1 +ATOM 892 C CD1 . TYR A 1 126 ? 21.552 90.367 -13.578 1.00 66.39 ? 127 TYR A CD1 1 +ATOM 893 C CD2 . TYR A 1 126 ? 21.124 91.221 -15.725 1.00 65.50 ? 127 TYR A CD2 1 +ATOM 894 C CE1 . TYR A 1 126 ? 20.276 89.846 -13.511 1.00 67.58 ? 127 TYR A CE1 1 +ATOM 895 C CE2 . TYR A 1 126 ? 19.842 90.695 -15.683 1.00 67.24 ? 127 TYR A CE2 1 +ATOM 896 C CZ . TYR A 1 126 ? 19.413 90.003 -14.566 1.00 67.80 ? 127 TYR A CZ 1 +ATOM 897 O OH . TYR A 1 126 ? 18.166 89.454 -14.451 1.00 72.03 ? 127 TYR A OH 1 +ATOM 898 N N . GLY A 1 127 ? 25.524 94.295 -13.624 1.00 64.90 ? 128 GLY A N 1 +ATOM 899 C CA . GLY A 1 127 ? 26.859 94.732 -13.157 1.00 69.62 ? 128 GLY A CA 1 +ATOM 900 C C . GLY A 1 127 ? 28.003 94.593 -14.154 1.00 70.44 ? 128 GLY A C 1 +ATOM 901 O O . GLY A 1 127 ? 29.043 95.245 -13.926 1.00 73.58 ? 128 GLY A O 1 +ATOM 902 N N . ASP A 1 128 ? 27.869 93.765 -15.188 1.00 71.02 ? 129 ASP A N 1 +ATOM 903 C CA . ASP A 1 128 ? 28.576 93.977 -16.483 1.00 69.65 ? 129 ASP A CA 1 +ATOM 904 C C . ASP A 1 128 ? 27.976 93.048 -17.544 1.00 63.56 ? 129 ASP A C 1 +ATOM 905 O O . ASP A 1 128 ? 27.121 92.171 -17.191 1.00 56.82 ? 129 ASP A O 1 +ATOM 906 C CB . ASP A 1 128 ? 30.098 93.836 -16.369 1.00 75.25 ? 129 ASP A CB 1 +ATOM 907 C CG . ASP A 1 128 ? 30.580 92.509 -15.780 1.00 83.51 ? 129 ASP A CG 1 +ATOM 908 O OD1 . ASP A 1 128 ? 29.783 91.523 -15.751 1.00 88.81 ? 129 ASP A OD1 1 +ATOM 909 O OD2 . ASP A 1 128 ? 31.762 92.458 -15.357 1.00 90.15 ? 129 ASP A OD2 1 +ATOM 910 N N . PHE A 1 129 ? 28.413 93.272 -18.791 1.00 59.81 ? 130 PHE A N 1 +ATOM 911 C CA . PHE A 1 129 ? 27.976 92.550 -20.010 1.00 57.62 ? 130 PHE A CA 1 +ATOM 912 C C . PHE A 1 129 ? 28.101 91.036 -19.803 1.00 59.81 ? 130 PHE A C 1 +ATOM 913 O O . PHE A 1 129 ? 27.166 90.270 -20.170 1.00 57.65 ? 130 PHE A O 1 +ATOM 914 C CB . PHE A 1 129 ? 28.861 92.994 -21.167 1.00 56.93 ? 130 PHE A CB 1 +ATOM 915 C CG . PHE A 1 129 ? 28.526 92.339 -22.476 1.00 55.79 ? 130 PHE A CG 1 +ATOM 916 C CD1 . PHE A 1 129 ? 27.503 92.847 -23.265 1.00 53.38 ? 130 PHE A CD1 1 +ATOM 917 C CD2 . PHE A 1 129 ? 29.217 91.217 -22.910 1.00 54.64 ? 130 PHE A CD2 1 +ATOM 918 C CE1 . PHE A 1 129 ? 27.192 92.262 -24.477 1.00 51.72 ? 130 PHE A CE1 1 +ATOM 919 C CE2 . PHE A 1 129 ? 28.894 90.637 -24.126 1.00 53.16 ? 130 PHE A CE2 1 +ATOM 920 C CZ . PHE A 1 129 ? 27.900 91.172 -24.914 1.00 51.21 ? 130 PHE A CZ 1 +ATOM 921 N N . GLY A 1 130 ? 29.248 90.630 -19.231 1.00 62.02 ? 131 GLY A N 1 +ATOM 922 C CA . GLY A 1 130 ? 29.606 89.235 -18.910 1.00 59.23 ? 131 GLY A CA 1 +ATOM 923 C C . GLY A 1 130 ? 28.506 88.566 -18.132 1.00 58.16 ? 131 GLY A C 1 +ATOM 924 O O . GLY A 1 130 ? 28.138 87.423 -18.467 1.00 59.72 ? 131 GLY A O 1 +ATOM 925 N N . LYS A 1 131 ? 27.989 89.258 -17.127 1.00 58.13 ? 132 LYS A N 1 +ATOM 926 C CA . LYS A 1 131 ? 27.046 88.654 -16.157 1.00 59.87 ? 132 LYS A CA 1 +ATOM 927 C C . LYS A 1 131 ? 25.655 88.854 -16.768 1.00 58.37 ? 132 LYS A C 1 +ATOM 928 O O . LYS A 1 131 ? 24.823 87.953 -16.612 1.00 60.06 ? 132 LYS A O 1 +ATOM 929 C CB . LYS A 1 131 ? 27.333 89.225 -14.749 1.00 62.75 ? 132 LYS A CB 1 +ATOM 930 C CG . LYS A 1 131 ? 26.801 88.459 -13.540 1.00 63.86 ? 132 LYS A CG 1 +ATOM 931 N N . ALA A 1 132 ? 25.424 89.953 -17.499 1.00 59.58 ? 133 ALA A N 1 +ATOM 932 C CA . ALA A 1 132 ? 24.142 90.204 -18.221 1.00 58.26 ? 133 ALA A CA 1 +ATOM 933 C C . ALA A 1 132 ? 23.880 89.089 -19.215 1.00 57.24 ? 133 ALA A C 1 +ATOM 934 O O . ALA A 1 132 ? 22.707 88.704 -19.279 1.00 58.82 ? 133 ALA A O 1 +ATOM 935 C CB . ALA A 1 132 ? 24.111 91.501 -18.982 1.00 57.86 ? 133 ALA A CB 1 +ATOM 936 N N . VAL A 1 133 ? 24.891 88.632 -19.983 1.00 57.10 ? 134 VAL A N 1 +ATOM 937 C CA . VAL A 1 133 ? 24.614 87.735 -21.158 1.00 58.05 ? 134 VAL A CA 1 +ATOM 938 C C . VAL A 1 133 ? 24.120 86.402 -20.613 1.00 57.42 ? 134 VAL A C 1 +ATOM 939 O O . VAL A 1 133 ? 23.506 85.627 -21.356 1.00 52.73 ? 134 VAL A O 1 +ATOM 940 C CB . VAL A 1 133 ? 25.764 87.563 -22.179 1.00 60.37 ? 134 VAL A CB 1 +ATOM 941 C CG1 . VAL A 1 133 ? 25.804 88.740 -23.145 1.00 60.99 ? 134 VAL A CG1 1 +ATOM 942 C CG2 . VAL A 1 133 ? 27.141 87.318 -21.575 1.00 60.01 ? 134 VAL A CG2 1 +ATOM 943 N N . GLN A 1 134 ? 24.303 86.197 -19.312 1.00 59.85 ? 135 GLN A N 1 +ATOM 944 C CA . GLN A 1 134 ? 23.942 84.916 -18.699 1.00 58.55 ? 135 GLN A CA 1 +ATOM 945 C C . GLN A 1 134 ? 22.483 84.953 -18.300 1.00 58.21 ? 135 GLN A C 1 +ATOM 946 O O . GLN A 1 134 ? 22.015 83.882 -17.990 1.00 61.99 ? 135 GLN A O 1 +ATOM 947 C CB . GLN A 1 134 ? 24.954 84.599 -17.617 1.00 62.82 ? 135 GLN A CB 1 +ATOM 948 C CG . GLN A 1 134 ? 26.313 84.269 -18.219 1.00 65.43 ? 135 GLN A CG 1 +ATOM 949 C CD . GLN A 1 134 ? 26.124 83.124 -19.182 1.00 69.55 ? 135 GLN A CD 1 +ATOM 950 O OE1 . GLN A 1 134 ? 25.426 82.148 -18.881 1.00 74.85 ? 135 GLN A OE1 1 +ATOM 951 N NE2 . GLN A 1 134 ? 26.692 83.256 -20.371 1.00 71.55 ? 135 GLN A NE2 1 +ATOM 952 N N . GLN A 1 135 ? 21.764 86.074 -18.431 1.00 57.88 ? 136 GLN A N 1 +ATOM 953 C CA . GLN A 1 135 ? 20.328 86.144 -18.023 1.00 59.47 ? 136 GLN A CA 1 +ATOM 954 C C . GLN A 1 135 ? 19.391 86.356 -19.213 1.00 61.00 ? 136 GLN A C 1 +ATOM 955 O O . GLN A 1 135 ? 19.784 86.908 -20.234 1.00 55.85 ? 136 GLN A O 1 +ATOM 956 C CB . GLN A 1 135 ? 20.088 87.303 -17.064 1.00 61.79 ? 136 GLN A CB 1 +ATOM 957 C CG . GLN A 1 135 ? 21.264 87.578 -16.132 1.00 64.38 ? 136 GLN A CG 1 +ATOM 958 C CD . GLN A 1 135 ? 21.515 86.425 -15.200 1.00 62.57 ? 136 GLN A CD 1 +ATOM 959 O OE1 . GLN A 1 135 ? 20.564 85.780 -14.759 1.00 59.97 ? 136 GLN A OE1 1 +ATOM 960 N NE2 . GLN A 1 135 ? 22.795 86.148 -14.959 1.00 61.05 ? 136 GLN A NE2 1 +ATOM 961 N N . PRO A 1 136 ? 18.096 85.984 -19.070 1.00 62.44 ? 137 PRO A N 1 +ATOM 962 C CA . PRO A 1 136 ? 17.076 86.234 -20.089 1.00 62.25 ? 137 PRO A CA 1 +ATOM 963 C C . PRO A 1 136 ? 16.802 87.717 -20.342 1.00 62.23 ? 137 PRO A C 1 +ATOM 964 O O . PRO A 1 136 ? 16.544 88.043 -21.495 1.00 68.19 ? 137 PRO A O 1 +ATOM 965 C CB . PRO A 1 136 ? 15.763 85.665 -19.535 1.00 63.14 ? 137 PRO A CB 1 +ATOM 966 C CG . PRO A 1 136 ? 16.193 84.789 -18.382 1.00 64.30 ? 137 PRO A CG 1 +ATOM 967 C CD . PRO A 1 136 ? 17.540 85.298 -17.900 1.00 62.99 ? 137 PRO A CD 1 +ATOM 968 N N . ASP A 1 137 ? 16.828 88.539 -19.287 1.00 58.24 ? 138 ASP A N 1 +ATOM 969 C CA . ASP A 1 137 ? 16.644 90.009 -19.363 1.00 57.76 ? 138 ASP A CA 1 +ATOM 970 C C . ASP A 1 137 ? 18.021 90.689 -19.336 1.00 57.10 ? 138 ASP A C 1 +ATOM 971 O O . ASP A 1 137 ? 18.110 91.848 -18.867 1.00 59.08 ? 138 ASP A O 1 +ATOM 972 C CB . ASP A 1 137 ? 15.730 90.517 -18.248 1.00 60.65 ? 138 ASP A CB 1 +ATOM 973 C CG . ASP A 1 137 ? 16.299 90.401 -16.819 1.00 64.62 ? 138 ASP A CG 1 +ATOM 974 O OD1 . ASP A 1 137 ? 17.125 89.485 -16.561 1.00 65.05 ? 138 ASP A OD1 1 +ATOM 975 O OD2 . ASP A 1 137 ? 15.908 91.225 -15.961 1.00 65.79 ? 138 ASP A OD2 1 +ATOM 976 N N . GLY A 1 138 ? 19.045 90.041 -19.888 1.00 53.16 ? 139 GLY A N 1 +ATOM 977 C CA . GLY A 1 138 ? 20.431 90.547 -19.872 1.00 52.67 ? 139 GLY A CA 1 +ATOM 978 C C . GLY A 1 138 ? 20.704 91.680 -20.853 1.00 52.63 ? 139 GLY A C 1 +ATOM 979 O O . GLY A 1 138 ? 21.286 92.704 -20.409 1.00 55.67 ? 139 GLY A O 1 +ATOM 980 N N . LEU A 1 139 ? 20.409 91.498 -22.157 1.00 51.08 ? 140 LEU A N 1 +ATOM 981 C CA . LEU A 1 139 ? 20.684 92.506 -23.212 1.00 48.32 ? 140 LEU A CA 1 +ATOM 982 C C . LEU A 1 139 ? 19.367 93.011 -23.776 1.00 48.54 ? 140 LEU A C 1 +ATOM 983 O O . LEU A 1 139 ? 18.437 92.241 -23.816 1.00 52.65 ? 140 LEU A O 1 +ATOM 984 C CB . LEU A 1 139 ? 21.465 91.915 -24.375 1.00 48.03 ? 140 LEU A CB 1 +ATOM 985 C CG . LEU A 1 139 ? 22.809 91.248 -24.110 1.00 48.42 ? 140 LEU A CG 1 +ATOM 986 C CD1 . LEU A 1 139 ? 23.679 91.402 -25.349 1.00 47.17 ? 140 LEU A CD1 1 +ATOM 987 C CD2 . LEU A 1 139 ? 23.522 91.791 -22.883 1.00 48.62 ? 140 LEU A CD2 1 +ATOM 988 N N . ALA A 1 140 ? 19.347 94.250 -24.250 1.00 47.30 ? 141 ALA A N 1 +ATOM 989 C CA . ALA A 1 140 ? 18.269 94.855 -25.048 1.00 47.87 ? 141 ALA A CA 1 +ATOM 990 C C . ALA A 1 140 ? 18.914 95.314 -26.356 1.00 48.27 ? 141 ALA A C 1 +ATOM 991 O O . ALA A 1 140 ? 19.889 96.029 -26.253 1.00 50.95 ? 141 ALA A O 1 +ATOM 992 C CB . ALA A 1 140 ? 17.702 96.002 -24.270 1.00 48.18 ? 141 ALA A CB 1 +ATOM 993 N N . VAL A 1 141 ? 18.496 94.834 -27.519 1.00 48.69 ? 142 VAL A N 1 +ATOM 994 C CA . VAL A 1 141 ? 19.187 95.169 -28.811 1.00 49.56 ? 142 VAL A CA 1 +ATOM 995 C C . VAL A 1 141 ? 18.213 95.963 -29.648 1.00 49.31 ? 142 VAL A C 1 +ATOM 996 O O . VAL A 1 141 ? 17.113 95.470 -29.907 1.00 49.70 ? 142 VAL A O 1 +ATOM 997 C CB . VAL A 1 141 ? 19.661 93.966 -29.633 1.00 50.64 ? 142 VAL A CB 1 +ATOM 998 C CG1 . VAL A 1 141 ? 20.252 94.416 -30.952 1.00 52.70 ? 142 VAL A CG1 1 +ATOM 999 C CG2 . VAL A 1 141 ? 20.662 93.131 -28.865 1.00 52.16 ? 142 VAL A CG2 1 +ATOM 1000 N N . LEU A 1 142 ? 18.595 97.171 -29.999 1.00 49.50 ? 143 LEU A N 1 +ATOM 1001 C CA . LEU A 1 142 ? 17.683 98.087 -30.714 1.00 52.04 ? 143 LEU A CA 1 +ATOM 1002 C C . LEU A 1 142 ? 17.896 97.894 -32.241 1.00 50.89 ? 143 LEU A C 1 +ATOM 1003 O O . LEU A 1 142 ? 18.949 98.276 -32.764 1.00 48.39 ? 143 LEU A O 1 +ATOM 1004 C CB . LEU A 1 142 ? 18.003 99.476 -30.169 1.00 52.91 ? 143 LEU A CB 1 +ATOM 1005 C CG . LEU A 1 142 ? 17.302 100.612 -30.885 1.00 57.72 ? 143 LEU A CG 1 +ATOM 1006 C CD1 . LEU A 1 142 ? 15.807 100.373 -30.894 1.00 59.93 ? 143 LEU A CD1 1 +ATOM 1007 C CD2 . LEU A 1 142 ? 17.649 101.931 -30.232 1.00 58.48 ? 143 LEU A CD2 1 +ATOM 1008 N N . GLY A 1 143 ? 16.986 97.194 -32.907 1.00 51.38 ? 144 GLY A N 1 +ATOM 1009 C CA . GLY A 1 143 ? 17.128 96.798 -34.332 1.00 54.23 ? 144 GLY A CA 1 +ATOM 1010 C C . GLY A 1 143 ? 16.575 97.824 -35.321 1.00 52.54 ? 144 GLY A C 1 +ATOM 1011 O O . GLY A 1 143 ? 15.357 98.067 -35.282 1.00 51.37 ? 144 GLY A O 1 +ATOM 1012 N N . ILE A 1 144 ? 17.427 98.373 -36.192 1.00 52.31 ? 145 ILE A N 1 +ATOM 1013 C CA . ILE A 1 144 ? 17.039 99.394 -37.215 1.00 56.38 ? 145 ILE A CA 1 +ATOM 1014 C C . ILE A 1 144 ? 17.330 98.935 -38.662 1.00 57.78 ? 145 ILE A C 1 +ATOM 1015 O O . ILE A 1 144 ? 18.500 98.661 -39.026 1.00 56.53 ? 145 ILE A O 1 +ATOM 1016 C CB . ILE A 1 144 ? 17.762 100.707 -36.889 1.00 55.80 ? 145 ILE A CB 1 +ATOM 1017 C CG1 . ILE A 1 144 ? 17.501 101.119 -35.448 1.00 54.59 ? 145 ILE A CG1 1 +ATOM 1018 C CG2 . ILE A 1 144 ? 17.364 101.813 -37.857 1.00 57.02 ? 145 ILE A CG2 1 +ATOM 1019 C CD1 . ILE A 1 144 ? 18.064 102.480 -35.120 1.00 54.78 ? 145 ILE A CD1 1 +ATOM 1020 N N . PHE A 1 145 ? 16.323 98.949 -39.522 1.00 61.29 ? 146 PHE A N 1 +ATOM 1021 C CA . PHE A 1 145 ? 16.508 98.571 -40.954 1.00 63.74 ? 146 PHE A CA 1 +ATOM 1022 C C . PHE A 1 145 ? 17.169 99.692 -41.784 1.00 65.73 ? 146 PHE A C 1 +ATOM 1023 O O . PHE A 1 145 ? 17.012 100.901 -41.500 1.00 64.94 ? 146 PHE A O 1 +ATOM 1024 C CB . PHE A 1 145 ? 15.156 98.180 -41.546 1.00 62.95 ? 146 PHE A CB 1 +ATOM 1025 C CG . PHE A 1 145 ? 14.536 96.976 -40.866 1.00 60.58 ? 146 PHE A CG 1 +ATOM 1026 C CD1 . PHE A 1 145 ? 15.153 95.739 -40.925 1.00 60.62 ? 146 PHE A CD1 1 +ATOM 1027 C CD2 . PHE A 1 145 ? 13.326 97.070 -40.192 1.00 60.25 ? 146 PHE A CD2 1 +ATOM 1028 C CE1 . PHE A 1 145 ? 14.562 94.618 -40.344 1.00 60.67 ? 146 PHE A CE1 1 +ATOM 1029 C CE2 . PHE A 1 145 ? 12.745 95.951 -39.592 1.00 60.33 ? 146 PHE A CE2 1 +ATOM 1030 C CZ . PHE A 1 145 ? 13.361 94.723 -39.668 1.00 59.75 ? 146 PHE A CZ 1 +ATOM 1031 N N . LEU A 1 146 ? 17.888 99.289 -42.834 1.00 69.69 ? 147 LEU A N 1 +ATOM 1032 C CA . LEU A 1 146 ? 18.390 100.201 -43.901 1.00 72.95 ? 147 LEU A CA 1 +ATOM 1033 C C . LEU A 1 146 ? 17.723 99.883 -45.240 1.00 77.27 ? 147 LEU A C 1 +ATOM 1034 O O . LEU A 1 146 ? 17.937 98.759 -45.740 1.00 79.54 ? 147 LEU A O 1 +ATOM 1035 C CB . LEU A 1 146 ? 19.903 100.049 -44.033 1.00 72.24 ? 147 LEU A CB 1 +ATOM 1036 C CG . LEU A 1 146 ? 20.699 100.900 -43.055 1.00 71.39 ? 147 LEU A CG 1 +ATOM 1037 C CD1 . LEU A 1 146 ? 20.505 100.389 -41.629 1.00 69.98 ? 147 LEU A CD1 1 +ATOM 1038 C CD2 . LEU A 1 146 ? 22.169 100.939 -43.449 1.00 71.66 ? 147 LEU A CD2 1 +ATOM 1039 N N . LYS A 1 147 ? 16.927 100.837 -45.754 1.00 79.90 ? 148 LYS A N 1 +ATOM 1040 C CA . LYS A 1 147 ? 16.496 100.977 -47.174 1.00 78.14 ? 148 LYS A CA 1 +ATOM 1041 C C . LYS A 1 147 ? 17.544 101.857 -47.838 1.00 80.94 ? 148 LYS A C 1 +ATOM 1042 O O . LYS A 1 147 ? 17.995 102.814 -47.205 1.00 76.97 ? 148 LYS A O 1 +ATOM 1043 C CB . LYS A 1 147 ? 15.134 101.666 -47.321 1.00 75.15 ? 148 LYS A CB 1 +ATOM 1044 N N . VAL A 1 148 ? 17.904 101.549 -49.080 1.00 91.18 ? 149 VAL A N 1 +ATOM 1045 C CA . VAL A 1 148 ? 18.771 102.439 -49.918 1.00 92.68 ? 149 VAL A CA 1 +ATOM 1046 C C . VAL A 1 148 ? 17.876 103.461 -50.672 1.00 95.09 ? 149 VAL A C 1 +ATOM 1047 O O . VAL A 1 148 ? 16.760 103.069 -51.225 1.00 91.15 ? 149 VAL A O 1 +ATOM 1048 C CB . VAL A 1 148 ? 19.710 101.636 -50.841 1.00 92.60 ? 149 VAL A CB 1 +ATOM 1049 C CG1 . VAL A 1 148 ? 18.975 100.567 -51.645 1.00 92.23 ? 149 VAL A CG1 1 +ATOM 1050 C CG2 . VAL A 1 148 ? 20.525 102.563 -51.722 1.00 96.35 ? 149 VAL A CG2 1 +ATOM 1051 N N . GLY A 1 149 ? 18.321 104.730 -50.640 1.00 100.73 ? 150 GLY A N 1 +ATOM 1052 C CA . GLY A 1 149 ? 17.531 105.950 -50.909 1.00 107.53 ? 150 GLY A CA 1 +ATOM 1053 C C . GLY A 1 149 ? 18.355 107.200 -50.603 1.00 115.80 ? 150 GLY A C 1 +ATOM 1054 O O . GLY A 1 149 ? 19.615 107.152 -50.798 1.00 115.70 ? 150 GLY A O 1 +ATOM 1055 N N . SER A 1 150 ? 17.702 108.279 -50.131 1.00 122.88 ? 151 SER A N 1 +ATOM 1056 C CA . SER A 1 150 ? 18.362 109.529 -49.652 1.00 128.87 ? 151 SER A CA 1 +ATOM 1057 C C . SER A 1 150 ? 19.575 109.170 -48.775 1.00 129.67 ? 151 SER A C 1 +ATOM 1058 O O . SER A 1 150 ? 19.546 108.090 -48.146 1.00 132.55 ? 151 SER A O 1 +ATOM 1059 C CB . SER A 1 150 ? 17.384 110.425 -48.910 1.00 130.19 ? 151 SER A CB 1 +ATOM 1060 O OG . SER A 1 150 ? 16.390 110.948 -49.786 1.00 134.85 ? 151 SER A OG 1 +ATOM 1061 N N . ALA A 1 151 ? 20.602 110.033 -48.735 1.00 131.91 ? 152 ALA A N 1 +ATOM 1062 C CA . ALA A 1 151 ? 21.876 109.819 -47.996 1.00 130.70 ? 152 ALA A CA 1 +ATOM 1063 C C . ALA A 1 151 ? 21.621 109.778 -46.482 1.00 126.98 ? 152 ALA A C 1 +ATOM 1064 O O . ALA A 1 151 ? 20.477 110.059 -46.037 1.00 129.23 ? 152 ALA A O 1 +ATOM 1065 C CB . ALA A 1 151 ? 22.891 110.888 -48.340 1.00 129.91 ? 152 ALA A CB 1 +ATOM 1066 N N . LYS A 1 152 ? 22.649 109.411 -45.715 1.00 118.57 ? 153 LYS A N 1 +ATOM 1067 C CA . LYS A 1 152 ? 22.587 109.407 -44.235 1.00 110.38 ? 153 LYS A CA 1 +ATOM 1068 C C . LYS A 1 152 ? 23.831 110.109 -43.694 1.00 107.36 ? 153 LYS A C 1 +ATOM 1069 O O . LYS A 1 152 ? 24.922 109.535 -43.715 1.00 99.04 ? 153 LYS A O 1 +ATOM 1070 C CB . LYS A 1 152 ? 22.414 107.975 -43.725 1.00 107.60 ? 153 LYS A CB 1 +ATOM 1071 C CG . LYS A 1 152 ? 21.935 107.855 -42.282 1.00 102.06 ? 153 LYS A CG 1 +ATOM 1072 C CD . LYS A 1 152 ? 20.476 108.214 -42.084 1.00 98.77 ? 153 LYS A CD 1 +ATOM 1073 C CE . LYS A 1 152 ? 20.184 108.588 -40.646 1.00 95.48 ? 153 LYS A CE 1 +ATOM 1074 N NZ . LYS A 1 152 ? 18.740 108.802 -40.393 1.00 93.94 ? 153 LYS A NZ 1 +ATOM 1075 N N . PRO A 1 153 ? 23.697 111.381 -43.227 1.00 106.82 ? 154 PRO A N 1 +ATOM 1076 C CA . PRO A 1 153 ? 24.827 112.131 -42.673 1.00 104.16 ? 154 PRO A CA 1 +ATOM 1077 C C . PRO A 1 153 ? 25.314 111.473 -41.375 1.00 99.65 ? 154 PRO A C 1 +ATOM 1078 O O . PRO A 1 153 ? 26.516 111.395 -41.188 1.00 100.50 ? 154 PRO A O 1 +ATOM 1079 C CB . PRO A 1 153 ? 24.284 113.549 -42.428 1.00 104.13 ? 154 PRO A CB 1 +ATOM 1080 C CG . PRO A 1 153 ? 22.775 113.370 -42.339 1.00 104.01 ? 154 PRO A CG 1 +ATOM 1081 C CD . PRO A 1 153 ? 22.447 112.167 -43.203 1.00 104.08 ? 154 PRO A CD 1 +ATOM 1082 N N . GLY A 1 154 ? 24.386 110.998 -40.536 1.00 93.52 ? 155 GLY A N 1 +ATOM 1083 C CA . GLY A 1 154 ? 24.721 110.182 -39.354 1.00 93.16 ? 155 GLY A CA 1 +ATOM 1084 C C . GLY A 1 154 ? 25.719 109.098 -39.719 1.00 92.93 ? 155 GLY A C 1 +ATOM 1085 O O . GLY A 1 154 ? 26.807 109.031 -39.105 1.00 92.74 ? 155 GLY A O 1 +ATOM 1086 N N . LEU A 1 155 ? 25.382 108.316 -40.741 1.00 92.02 ? 156 LEU A N 1 +ATOM 1087 C CA . LEU A 1 155 ? 26.184 107.160 -41.211 1.00 90.34 ? 156 LEU A CA 1 +ATOM 1088 C C . LEU A 1 155 ? 27.510 107.644 -41.808 1.00 89.14 ? 156 LEU A C 1 +ATOM 1089 O O . LEU A 1 155 ? 28.488 106.922 -41.677 1.00 88.42 ? 156 LEU A O 1 +ATOM 1090 C CB . LEU A 1 155 ? 25.331 106.401 -42.230 1.00 91.95 ? 156 LEU A CB 1 +ATOM 1091 C CG . LEU A 1 155 ? 25.720 104.963 -42.586 1.00 93.82 ? 156 LEU A CG 1 +ATOM 1092 C CD1 . LEU A 1 155 ? 25.824 104.043 -41.380 1.00 92.75 ? 156 LEU A CD1 1 +ATOM 1093 C CD2 . LEU A 1 155 ? 24.742 104.393 -43.608 1.00 94.66 ? 156 LEU A CD2 1 +ATOM 1094 N N . GLN A 1 156 ? 27.551 108.826 -42.424 1.00 93.02 ? 157 GLN A N 1 +ATOM 1095 C CA . GLN A 1 156 ? 28.686 109.244 -43.296 1.00 98.70 ? 157 GLN A CA 1 +ATOM 1096 C C . GLN A 1 156 ? 29.997 109.168 -42.496 1.00 97.08 ? 157 GLN A C 1 +ATOM 1097 O O . GLN A 1 156 ? 30.984 108.637 -43.043 1.00 101.48 ? 157 GLN A O 1 +ATOM 1098 C CB . GLN A 1 156 ? 28.430 110.616 -43.943 1.00 100.91 ? 157 GLN A CB 1 +ATOM 1099 C CG . GLN A 1 156 ? 29.554 111.100 -44.860 1.00 103.65 ? 157 GLN A CG 1 +ATOM 1100 C CD . GLN A 1 156 ? 30.126 110.015 -45.750 1.00 107.67 ? 157 GLN A CD 1 +ATOM 1101 O OE1 . GLN A 1 156 ? 29.426 109.427 -46.578 1.00 110.10 ? 157 GLN A OE1 1 +ATOM 1102 N NE2 . GLN A 1 156 ? 31.415 109.725 -45.579 1.00 106.27 ? 157 GLN A NE2 1 +ATOM 1103 N N . LYS A 1 157 ? 30.007 109.604 -41.236 1.00 95.20 ? 158 LYS A N 1 +ATOM 1104 C CA . LYS A 1 157 ? 31.238 109.622 -40.397 1.00 97.97 ? 158 LYS A CA 1 +ATOM 1105 C C . LYS A 1 157 ? 31.837 108.210 -40.260 1.00 92.84 ? 158 LYS A C 1 +ATOM 1106 O O . LYS A 1 157 ? 33.008 108.124 -39.913 1.00 89.68 ? 158 LYS A O 1 +ATOM 1107 C CB . LYS A 1 157 ? 30.940 110.251 -39.030 1.00 102.99 ? 158 LYS A CB 1 +ATOM 1108 C CG . LYS A 1 157 ? 32.123 110.316 -38.066 1.00 107.31 ? 158 LYS A CG 1 +ATOM 1109 C CD . LYS A 1 157 ? 31.972 111.328 -36.927 1.00 109.31 ? 158 LYS A CD 1 +ATOM 1110 C CE . LYS A 1 157 ? 32.508 110.823 -35.594 1.00 110.55 ? 158 LYS A CE 1 +ATOM 1111 N NZ . LYS A 1 157 ? 33.912 110.329 -35.655 1.00 109.59 ? 158 LYS A NZ 1 +ATOM 1112 N N . VAL A 1 158 ? 31.069 107.155 -40.542 1.00 95.09 ? 159 VAL A N 1 +ATOM 1113 C CA . VAL A 1 158 ? 31.466 105.722 -40.374 1.00 97.69 ? 159 VAL A CA 1 +ATOM 1114 C C . VAL A 1 158 ? 32.088 105.211 -41.668 1.00 101.44 ? 159 VAL A C 1 +ATOM 1115 O O . VAL A 1 158 ? 33.288 104.934 -41.661 1.00 102.41 ? 159 VAL A O 1 +ATOM 1116 C CB . VAL A 1 158 ? 30.263 104.834 -40.002 1.00 97.09 ? 159 VAL A CB 1 +ATOM 1117 C CG1 . VAL A 1 158 ? 30.614 103.355 -40.056 1.00 95.39 ? 159 VAL A CG1 1 +ATOM 1118 C CG2 . VAL A 1 158 ? 29.684 105.213 -38.645 1.00 97.30 ? 159 VAL A CG2 1 +ATOM 1119 N N . VAL A 1 159 ? 31.261 105.021 -42.700 1.00 105.41 ? 160 VAL A N 1 +ATOM 1120 C CA . VAL A 1 159 ? 31.694 104.636 -44.074 1.00 111.56 ? 160 VAL A CA 1 +ATOM 1121 C C . VAL A 1 159 ? 33.046 105.230 -44.480 1.00 113.60 ? 160 VAL A C 1 +ATOM 1122 O O . VAL A 1 159 ? 33.883 104.489 -45.034 1.00 114.04 ? 160 VAL A O 1 +ATOM 1123 C CB . VAL A 1 159 ? 30.695 105.157 -45.128 1.00 115.46 ? 160 VAL A CB 1 +ATOM 1124 C CG1 . VAL A 1 159 ? 31.314 105.296 -46.515 1.00 118.28 ? 160 VAL A CG1 1 +ATOM 1125 C CG2 . VAL A 1 159 ? 29.453 104.281 -45.181 1.00 115.19 ? 160 VAL A CG2 1 +ATOM 1126 N N . ASP A 1 160 ? 33.248 106.514 -44.178 1.00 114.85 ? 161 ASP A N 1 +ATOM 1127 C CA . ASP A 1 160 ? 34.522 107.253 -44.381 1.00 117.03 ? 161 ASP A CA 1 +ATOM 1128 C C . ASP A 1 160 ? 35.684 106.295 -44.065 1.00 112.50 ? 161 ASP A C 1 +ATOM 1129 O O . ASP A 1 160 ? 36.413 105.897 -45.001 1.00 109.70 ? 161 ASP A O 1 +ATOM 1130 C CB . ASP A 1 160 ? 34.454 108.469 -43.452 1.00 119.99 ? 161 ASP A CB 1 +ATOM 1131 C CG . ASP A 1 160 ? 35.665 109.389 -43.484 1.00 125.81 ? 161 ASP A CG 1 +ATOM 1132 O OD1 . ASP A 1 160 ? 36.805 108.878 -43.687 1.00 129.52 ? 161 ASP A OD1 1 +ATOM 1133 O OD2 . ASP A 1 160 ? 35.463 110.613 -43.277 1.00 125.29 ? 161 ASP A OD2 1 +ATOM 1134 N N . VAL A 1 161 ? 35.802 105.886 -42.801 1.00 110.03 ? 162 VAL A N 1 +ATOM 1135 C CA . VAL A 1 161 ? 37.029 105.271 -42.212 1.00 111.32 ? 162 VAL A CA 1 +ATOM 1136 C C . VAL A 1 161 ? 37.058 103.750 -42.457 1.00 112.13 ? 162 VAL A C 1 +ATOM 1137 O O . VAL A 1 161 ? 37.974 103.094 -41.918 1.00 110.20 ? 162 VAL A O 1 +ATOM 1138 C CB . VAL A 1 161 ? 37.123 105.623 -40.711 1.00 108.53 ? 162 VAL A CB 1 +ATOM 1139 C CG1 . VAL A 1 161 ? 36.179 104.787 -39.864 1.00 107.79 ? 162 VAL A CG1 1 +ATOM 1140 C CG2 . VAL A 1 161 ? 38.545 105.523 -40.173 1.00 110.60 ? 162 VAL A CG2 1 +ATOM 1141 N N . LEU A 1 162 ? 36.142 103.203 -43.269 1.00 116.00 ? 163 LEU A N 1 +ATOM 1142 C CA . LEU A 1 162 ? 35.942 101.731 -43.418 1.00 119.49 ? 163 LEU A CA 1 +ATOM 1143 C C . LEU A 1 162 ? 37.203 101.081 -44.010 1.00 126.58 ? 163 LEU A C 1 +ATOM 1144 O O . LEU A 1 162 ? 37.390 99.864 -43.813 1.00 125.76 ? 163 LEU A O 1 +ATOM 1145 C CB . LEU A 1 162 ? 34.711 101.459 -44.291 1.00 114.98 ? 163 LEU A CB 1 +ATOM 1146 N N . ASP A 1 163 ? 38.052 101.860 -44.685 1.00 133.74 ? 164 ASP A N 1 +ATOM 1147 C CA . ASP A 1 163 ? 39.228 101.347 -45.437 1.00 139.43 ? 164 ASP A CA 1 +ATOM 1148 C C . ASP A 1 163 ? 40.468 101.324 -44.528 1.00 138.52 ? 164 ASP A C 1 +ATOM 1149 O O . ASP A 1 163 ? 41.381 100.516 -44.813 1.00 143.84 ? 164 ASP A O 1 +ATOM 1150 C CB . ASP A 1 163 ? 39.417 102.141 -46.733 1.00 144.93 ? 164 ASP A CB 1 +ATOM 1151 C CG . ASP A 1 163 ? 38.163 102.151 -47.596 1.00 146.51 ? 164 ASP A CG 1 +ATOM 1152 O OD1 . ASP A 1 163 ? 37.169 102.795 -47.179 1.00 147.31 ? 164 ASP A OD1 1 +ATOM 1153 O OD2 . ASP A 1 163 ? 38.170 101.485 -48.654 1.00 145.29 ? 164 ASP A OD2 1 +ATOM 1154 N N . SER A 1 164 ? 40.501 102.134 -43.462 1.00 131.55 ? 165 SER A N 1 +ATOM 1155 C CA . SER A 1 164 ? 41.548 102.057 -42.407 1.00 128.92 ? 165 SER A CA 1 +ATOM 1156 C C . SER A 1 164 ? 41.276 100.844 -41.497 1.00 125.65 ? 165 SER A C 1 +ATOM 1157 O O . SER A 1 164 ? 41.989 100.699 -40.479 1.00 121.75 ? 165 SER A O 1 +ATOM 1158 C CB . SER A 1 164 ? 41.668 103.357 -41.630 1.00 128.17 ? 165 SER A CB 1 +ATOM 1159 O OG . SER A 1 164 ? 40.837 103.376 -40.475 1.00 124.01 ? 165 SER A OG 1 +ATOM 1160 N N . ILE A 1 165 ? 40.274 100.017 -41.840 1.00 122.55 ? 166 ILE A N 1 +ATOM 1161 C CA . ILE A 1 165 ? 40.041 98.657 -41.260 1.00 119.90 ? 166 ILE A CA 1 +ATOM 1162 C C . ILE A 1 165 ? 39.550 97.705 -42.374 1.00 119.64 ? 166 ILE A C 1 +ATOM 1163 O O . ILE A 1 165 ? 38.433 97.163 -42.253 1.00 115.13 ? 166 ILE A O 1 +ATOM 1164 C CB . ILE A 1 165 ? 39.071 98.726 -40.051 1.00 117.54 ? 166 ILE A CB 1 +ATOM 1165 C CG1 . ILE A 1 165 ? 37.728 99.384 -40.392 1.00 115.23 ? 166 ILE A CG1 1 +ATOM 1166 C CG2 . ILE A 1 165 ? 39.729 99.412 -38.861 1.00 116.24 ? 166 ILE A CG2 1 +ATOM 1167 C CD1 . ILE A 1 165 ? 36.551 98.787 -39.650 1.00 110.77 ? 166 ILE A CD1 1 +ATOM 1168 N N . LYS A 1 166 ? 40.366 97.479 -43.414 1.00 121.56 ? 167 LYS A N 1 +ATOM 1169 C CA . LYS A 1 166 ? 40.004 96.671 -44.620 1.00 119.31 ? 167 LYS A CA 1 +ATOM 1170 C C . LYS A 1 166 ? 39.671 95.224 -44.215 1.00 116.58 ? 167 LYS A C 1 +ATOM 1171 O O . LYS A 1 166 ? 38.625 94.700 -44.686 1.00 110.11 ? 167 LYS A O 1 +ATOM 1172 C CB . LYS A 1 166 ? 41.136 96.707 -45.656 1.00 118.51 ? 167 LYS A CB 1 +ATOM 1173 N N . THR A 1 167 ? 40.510 94.624 -43.355 1.00 117.49 ? 168 THR A N 1 +ATOM 1174 C CA . THR A 1 167 ? 40.640 93.151 -43.150 1.00 118.70 ? 168 THR A CA 1 +ATOM 1175 C C . THR A 1 167 ? 40.393 92.774 -41.680 1.00 114.01 ? 168 THR A C 1 +ATOM 1176 O O . THR A 1 167 ? 40.460 93.693 -40.804 1.00 111.58 ? 168 THR A O 1 +ATOM 1177 C CB . THR A 1 167 ? 42.025 92.645 -43.595 1.00 122.20 ? 168 THR A CB 1 +ATOM 1178 O OG1 . THR A 1 167 ? 42.978 93.029 -42.602 1.00 121.74 ? 168 THR A OG1 1 +ATOM 1179 C CG2 . THR A 1 167 ? 42.465 93.161 -44.953 1.00 124.64 ? 168 THR A CG2 1 +ATOM 1180 N N . LYS A 1 168 ? 40.140 91.470 -41.438 1.00 111.80 ? 169 LYS A N 1 +ATOM 1181 C CA . LYS A 1 168 ? 39.856 90.853 -40.104 1.00 107.18 ? 169 LYS A CA 1 +ATOM 1182 C C . LYS A 1 168 ? 40.987 91.232 -39.140 1.00 106.61 ? 169 LYS A C 1 +ATOM 1183 O O . LYS A 1 168 ? 42.150 91.037 -39.517 1.00 111.52 ? 169 LYS A O 1 +ATOM 1184 C CB . LYS A 1 168 ? 39.698 89.325 -40.199 1.00 99.41 ? 169 LYS A CB 1 +ATOM 1185 N N . GLY A 1 169 ? 40.659 91.809 -37.976 1.00 103.60 ? 170 GLY A N 1 +ATOM 1186 C CA . GLY A 1 169 ? 41.612 92.054 -36.874 1.00 100.40 ? 170 GLY A CA 1 +ATOM 1187 C C . GLY A 1 169 ? 42.049 93.511 -36.768 1.00 99.63 ? 170 GLY A C 1 +ATOM 1188 O O . GLY A 1 169 ? 42.350 93.956 -35.618 1.00 100.91 ? 170 GLY A O 1 +ATOM 1189 N N . LYS A 1 170 ? 42.111 94.238 -37.897 1.00 100.46 ? 171 LYS A N 1 +ATOM 1190 C CA . LYS A 1 170 ? 42.525 95.670 -37.912 1.00 101.83 ? 171 LYS A CA 1 +ATOM 1191 C C . LYS A 1 170 ? 41.468 96.456 -37.122 1.00 102.04 ? 171 LYS A C 1 +ATOM 1192 O O . LYS A 1 170 ? 40.273 96.068 -37.209 1.00 100.41 ? 171 LYS A O 1 +ATOM 1193 C CB . LYS A 1 170 ? 42.720 96.186 -39.347 1.00 99.73 ? 171 LYS A CB 1 +ATOM 1194 N N . SER A 1 171 ? 41.899 97.475 -36.357 1.00 103.02 ? 172 SER A N 1 +ATOM 1195 C CA . SER A 1 171 ? 41.044 98.436 -35.601 1.00 99.32 ? 172 SER A CA 1 +ATOM 1196 C C . SER A 1 171 ? 41.562 99.877 -35.759 1.00 102.15 ? 172 SER A C 1 +ATOM 1197 O O . SER A 1 171 ? 42.563 100.080 -36.478 1.00 105.39 ? 172 SER A O 1 +ATOM 1198 C CB . SER A 1 171 ? 40.965 98.056 -34.147 1.00 96.00 ? 172 SER A CB 1 +ATOM 1199 O OG . SER A 1 171 ? 42.242 98.146 -33.539 1.00 95.10 ? 172 SER A OG 1 +ATOM 1200 N N . ALA A 1 172 ? 40.908 100.840 -35.094 1.00 104.32 ? 173 ALA A N 1 +ATOM 1201 C CA . ALA A 1 172 ? 41.185 102.299 -35.179 1.00 105.73 ? 173 ALA A CA 1 +ATOM 1202 C C . ALA A 1 172 ? 40.598 103.027 -33.963 1.00 103.82 ? 173 ALA A C 1 +ATOM 1203 O O . ALA A 1 172 ? 39.586 102.550 -33.416 1.00 102.39 ? 173 ALA A O 1 +ATOM 1204 C CB . ALA A 1 172 ? 40.611 102.867 -36.461 1.00 105.16 ? 173 ALA A CB 1 +ATOM 1205 N N . ASP A 1 173 ? 41.208 104.149 -33.567 1.00 104.53 ? 174 ASP A N 1 +ATOM 1206 C CA . ASP A 1 173 ? 40.547 105.183 -32.731 1.00 102.16 ? 174 ASP A CA 1 +ATOM 1207 C C . ASP A 1 173 ? 39.310 105.616 -33.502 1.00 98.96 ? 174 ASP A C 1 +ATOM 1208 O O . ASP A 1 173 ? 39.421 105.655 -34.742 1.00 99.50 ? 174 ASP A O 1 +ATOM 1209 C CB . ASP A 1 173 ? 41.399 106.435 -32.514 1.00 106.67 ? 174 ASP A CB 1 +ATOM 1210 C CG . ASP A 1 173 ? 42.539 106.296 -31.517 1.00 112.77 ? 174 ASP A CG 1 +ATOM 1211 O OD1 . ASP A 1 173 ? 42.596 105.255 -30.800 1.00 110.21 ? 174 ASP A OD1 1 +ATOM 1212 O OD2 . ASP A 1 173 ? 43.371 107.242 -31.470 1.00 118.18 ? 174 ASP A OD2 1 +ATOM 1213 N N . PHE A 1 174 ? 38.213 105.921 -32.796 1.00 95.21 ? 175 PHE A N 1 +ATOM 1214 C CA . PHE A 1 174 ? 36.920 106.389 -33.364 1.00 90.50 ? 175 PHE A CA 1 +ATOM 1215 C C . PHE A 1 174 ? 36.081 107.026 -32.256 1.00 89.15 ? 175 PHE A C 1 +ATOM 1216 O O . PHE A 1 174 ? 35.294 106.307 -31.617 1.00 92.60 ? 175 PHE A O 1 +ATOM 1217 C CB . PHE A 1 174 ? 36.168 105.226 -34.010 1.00 88.42 ? 175 PHE A CB 1 +ATOM 1218 C CG . PHE A 1 174 ? 34.979 105.623 -34.842 1.00 86.19 ? 175 PHE A CG 1 +ATOM 1219 C CD1 . PHE A 1 174 ? 35.109 106.537 -35.871 1.00 89.05 ? 175 PHE A CD1 1 +ATOM 1220 C CD2 . PHE A 1 174 ? 33.739 105.059 -34.623 1.00 84.85 ? 175 PHE A CD2 1 +ATOM 1221 C CE1 . PHE A 1 174 ? 34.018 106.892 -36.649 1.00 88.22 ? 175 PHE A CE1 1 +ATOM 1222 C CE2 . PHE A 1 174 ? 32.651 105.413 -35.404 1.00 85.02 ? 175 PHE A CE2 1 +ATOM 1223 C CZ . PHE A 1 174 ? 32.792 106.329 -36.414 1.00 85.48 ? 175 PHE A CZ 1 +ATOM 1224 N N . THR A 1 175 ? 36.233 108.339 -32.067 1.00 88.21 ? 176 THR A N 1 +ATOM 1225 C CA . THR A 1 175 ? 35.643 109.124 -30.950 1.00 85.55 ? 176 THR A CA 1 +ATOM 1226 C C . THR A 1 175 ? 34.557 110.093 -31.463 1.00 83.54 ? 176 THR A C 1 +ATOM 1227 O O . THR A 1 175 ? 34.386 110.255 -32.705 1.00 79.59 ? 176 THR A O 1 +ATOM 1228 C CB . THR A 1 175 ? 36.756 109.820 -30.154 1.00 86.71 ? 176 THR A CB 1 +ATOM 1229 O OG1 . THR A 1 175 ? 37.368 110.805 -30.990 1.00 88.18 ? 176 THR A OG1 1 +ATOM 1230 C CG2 . THR A 1 175 ? 37.796 108.843 -29.645 1.00 85.83 ? 176 THR A CG2 1 +ATOM 1231 N N . ASN A 1 176 ? 33.821 110.667 -30.505 1.00 82.75 ? 177 ASN A N 1 +ATOM 1232 C CA . ASN A 1 176 ? 32.698 111.623 -30.682 1.00 83.88 ? 177 ASN A CA 1 +ATOM 1233 C C . ASN A 1 176 ? 31.805 111.211 -31.853 1.00 83.21 ? 177 ASN A C 1 +ATOM 1234 O O . ASN A 1 176 ? 31.271 112.097 -32.531 1.00 87.17 ? 177 ASN A O 1 +ATOM 1235 C CB . ASN A 1 176 ? 33.215 113.051 -30.821 1.00 88.31 ? 177 ASN A CB 1 +ATOM 1236 C CG . ASN A 1 176 ? 34.065 113.457 -29.638 1.00 94.35 ? 177 ASN A CG 1 +ATOM 1237 O OD1 . ASN A 1 176 ? 35.144 114.026 -29.805 1.00 99.96 ? 177 ASN A OD1 1 +ATOM 1238 N ND2 . ASN A 1 176 ? 33.594 113.149 -28.437 1.00 98.82 ? 177 ASN A ND2 1 +ATOM 1239 N N . PHE A 1 177 ? 31.582 109.915 -32.047 1.00 82.91 ? 178 PHE A N 1 +ATOM 1240 C CA . PHE A 1 177 ? 30.475 109.428 -32.904 1.00 81.28 ? 178 PHE A CA 1 +ATOM 1241 C C . PHE A 1 177 ? 29.173 109.545 -32.113 1.00 79.43 ? 178 PHE A C 1 +ATOM 1242 O O . PHE A 1 177 ? 29.145 109.047 -30.951 1.00 79.65 ? 178 PHE A O 1 +ATOM 1243 C CB . PHE A 1 177 ? 30.665 107.981 -33.357 1.00 81.58 ? 178 PHE A CB 1 +ATOM 1244 C CG . PHE A 1 177 ? 29.578 107.559 -34.308 1.00 83.00 ? 178 PHE A CG 1 +ATOM 1245 C CD1 . PHE A 1 177 ? 29.535 108.080 -35.593 1.00 83.22 ? 178 PHE A CD1 1 +ATOM 1246 C CD2 . PHE A 1 177 ? 28.555 106.717 -33.895 1.00 81.94 ? 178 PHE A CD2 1 +ATOM 1247 C CE1 . PHE A 1 177 ? 28.518 107.726 -36.460 1.00 83.90 ? 178 PHE A CE1 1 +ATOM 1248 C CE2 . PHE A 1 177 ? 27.537 106.367 -34.766 1.00 81.09 ? 178 PHE A CE2 1 +ATOM 1249 C CZ . PHE A 1 177 ? 27.520 106.874 -36.043 1.00 82.91 ? 178 PHE A CZ 1 +ATOM 1250 N N . ASP A 1 178 ? 28.158 110.183 -32.718 1.00 76.49 ? 179 ASP A N 1 +ATOM 1251 C CA . ASP A 1 178 ? 26.809 110.388 -32.128 1.00 73.34 ? 179 ASP A CA 1 +ATOM 1252 C C . ASP A 1 178 ? 25.845 109.347 -32.678 1.00 71.46 ? 179 ASP A C 1 +ATOM 1253 O O . ASP A 1 178 ? 25.329 109.502 -33.782 1.00 72.19 ? 179 ASP A O 1 +ATOM 1254 C CB . ASP A 1 178 ? 26.255 111.775 -32.422 1.00 75.30 ? 179 ASP A CB 1 +ATOM 1255 C CG . ASP A 1 178 ? 25.060 112.122 -31.555 1.00 77.16 ? 179 ASP A CG 1 +ATOM 1256 O OD1 . ASP A 1 178 ? 24.455 111.175 -30.988 1.00 75.85 ? 179 ASP A OD1 1 +ATOM 1257 O OD2 . ASP A 1 178 ? 24.751 113.344 -31.442 1.00 81.34 ? 179 ASP A OD2 1 +ATOM 1258 N N . PRO A 1 179 ? 25.547 108.264 -31.926 1.00 69.57 ? 180 PRO A N 1 +ATOM 1259 C CA . PRO A 1 179 ? 24.635 107.234 -32.417 1.00 68.36 ? 180 PRO A CA 1 +ATOM 1260 C C . PRO A 1 179 ? 23.208 107.718 -32.740 1.00 68.05 ? 180 PRO A C 1 +ATOM 1261 O O . PRO A 1 179 ? 22.529 107.024 -33.462 1.00 69.05 ? 180 PRO A O 1 +ATOM 1262 C CB . PRO A 1 179 ? 24.625 106.197 -31.279 1.00 66.75 ? 180 PRO A CB 1 +ATOM 1263 C CG . PRO A 1 179 ? 25.101 106.942 -30.061 1.00 65.38 ? 180 PRO A CG 1 +ATOM 1264 C CD . PRO A 1 179 ? 26.089 107.951 -30.594 1.00 66.86 ? 180 PRO A CD 1 +ATOM 1265 N N . ARG A 1 180 ? 22.773 108.874 -32.234 1.00 66.78 ? 181 ARG A N 1 +ATOM 1266 C CA . ARG A 1 180 ? 21.396 109.375 -32.504 1.00 67.28 ? 181 ARG A CA 1 +ATOM 1267 C C . ARG A 1 180 ? 21.235 109.733 -33.983 1.00 67.56 ? 181 ARG A C 1 +ATOM 1268 O O . ARG A 1 180 ? 20.104 109.967 -34.382 1.00 66.64 ? 181 ARG A O 1 +ATOM 1269 C CB . ARG A 1 180 ? 21.057 110.628 -31.696 1.00 66.10 ? 181 ARG A CB 1 +ATOM 1270 C CG . ARG A 1 180 ? 21.108 110.433 -30.196 1.00 63.26 ? 181 ARG A CG 1 +ATOM 1271 C CD . ARG A 1 180 ? 20.979 111.794 -29.563 1.00 64.49 ? 181 ARG A CD 1 +ATOM 1272 N NE . ARG A 1 180 ? 22.235 112.527 -29.606 1.00 64.72 ? 181 ARG A NE 1 +ATOM 1273 C CZ . ARG A 1 180 ? 22.518 113.592 -28.859 1.00 66.00 ? 181 ARG A CZ 1 +ATOM 1274 N NH1 . ARG A 1 180 ? 21.632 114.081 -27.997 1.00 67.78 ? 181 ARG A NH1 1 +ATOM 1275 N NH2 . ARG A 1 180 ? 23.694 114.175 -28.984 1.00 66.22 ? 181 ARG A NH2 1 +ATOM 1276 N N . GLY A 1 181 ? 22.330 109.804 -34.748 1.00 71.12 ? 182 GLY A N 1 +ATOM 1277 C CA . GLY A 1 181 ? 22.316 110.051 -36.203 1.00 72.73 ? 182 GLY A CA 1 +ATOM 1278 C C . GLY A 1 181 ? 21.772 108.851 -36.956 1.00 73.94 ? 182 GLY A C 1 +ATOM 1279 O O . GLY A 1 181 ? 21.452 108.985 -38.143 1.00 76.06 ? 182 GLY A O 1 +ATOM 1280 N N . LEU A 1 182 ? 21.651 107.714 -36.272 1.00 74.17 ? 183 LEU A N 1 +ATOM 1281 C CA . LEU A 1 182 ? 21.263 106.399 -36.847 1.00 74.04 ? 183 LEU A CA 1 +ATOM 1282 C C . LEU A 1 182 ? 19.776 106.094 -36.595 1.00 71.31 ? 183 LEU A C 1 +ATOM 1283 O O . LEU A 1 182 ? 19.289 105.069 -37.114 1.00 72.44 ? 183 LEU A O 1 +ATOM 1284 C CB . LEU A 1 182 ? 22.177 105.351 -36.207 1.00 75.29 ? 183 LEU A CB 1 +ATOM 1285 C CG . LEU A 1 182 ? 23.670 105.548 -36.489 1.00 77.11 ? 183 LEU A CG 1 +ATOM 1286 C CD1 . LEU A 1 182 ? 24.532 104.611 -35.657 1.00 74.31 ? 183 LEU A CD1 1 +ATOM 1287 C CD2 . LEU A 1 182 ? 23.958 105.362 -37.976 1.00 80.44 ? 183 LEU A CD2 1 +ATOM 1288 N N . LEU A 1 183 ? 19.075 106.963 -35.864 1.00 69.49 ? 184 LEU A N 1 +ATOM 1289 C CA . LEU A 1 183 ? 17.653 106.768 -35.479 1.00 69.44 ? 184 LEU A CA 1 +ATOM 1290 C C . LEU A 1 183 ? 16.783 107.250 -36.625 1.00 72.27 ? 184 LEU A C 1 +ATOM 1291 O O . LEU A 1 183 ? 17.225 108.072 -37.418 1.00 76.64 ? 184 LEU A O 1 +ATOM 1292 C CB . LEU A 1 183 ? 17.350 107.536 -34.184 1.00 67.00 ? 184 LEU A CB 1 +ATOM 1293 C CG . LEU A 1 183 ? 18.134 107.067 -32.958 1.00 64.56 ? 184 LEU A CG 1 +ATOM 1294 C CD1 . LEU A 1 183 ? 17.632 107.732 -31.683 1.00 64.17 ? 184 LEU A CD1 1 +ATOM 1295 C CD2 . LEU A 1 183 ? 18.081 105.553 -32.837 1.00 62.19 ? 184 LEU A CD2 1 +ATOM 1296 N N . PRO A 1 184 ? 15.555 106.724 -36.792 1.00 75.26 ? 185 PRO A N 1 +ATOM 1297 C CA . PRO A 1 184 ? 14.613 107.297 -37.738 1.00 77.82 ? 185 PRO A CA 1 +ATOM 1298 C C . PRO A 1 184 ? 13.746 108.292 -36.960 1.00 78.27 ? 185 PRO A C 1 +ATOM 1299 O O . PRO A 1 184 ? 13.870 108.372 -35.749 1.00 79.23 ? 185 PRO A O 1 +ATOM 1300 C CB . PRO A 1 184 ? 13.852 106.072 -38.276 1.00 78.77 ? 185 PRO A CB 1 +ATOM 1301 C CG . PRO A 1 184 ? 14.267 104.907 -37.366 1.00 79.09 ? 185 PRO A CG 1 +ATOM 1302 C CD . PRO A 1 184 ? 15.006 105.507 -36.181 1.00 76.00 ? 185 PRO A CD 1 +ATOM 1303 N N . GLU A 1 185 ? 12.876 108.998 -37.675 1.00 80.89 ? 186 GLU A N 1 +ATOM 1304 C CA . GLU A 1 185 ? 12.002 110.053 -37.103 1.00 83.08 ? 186 GLU A CA 1 +ATOM 1305 C C . GLU A 1 185 ? 10.840 109.403 -36.325 1.00 82.34 ? 186 GLU A C 1 +ATOM 1306 O O . GLU A 1 185 ? 10.203 110.143 -35.557 1.00 88.58 ? 186 GLU A O 1 +ATOM 1307 C CB . GLU A 1 185 ? 11.551 111.017 -38.211 1.00 84.75 ? 186 GLU A CB 1 +ATOM 1308 C CG . GLU A 1 185 ? 12.655 111.950 -38.697 1.00 83.24 ? 186 GLU A CG 1 +ATOM 1309 N N . SER A 1 186 ? 10.571 108.097 -36.503 1.00 79.14 ? 187 SER A N 1 +ATOM 1310 C CA . SER A 1 186 ? 9.526 107.317 -35.775 1.00 78.04 ? 187 SER A CA 1 +ATOM 1311 C C . SER A 1 186 ? 10.163 106.138 -35.028 1.00 78.82 ? 187 SER A C 1 +ATOM 1312 O O . SER A 1 186 ? 10.679 105.199 -35.710 1.00 78.38 ? 187 SER A O 1 +ATOM 1313 C CB . SER A 1 186 ? 8.442 106.805 -36.703 1.00 78.47 ? 187 SER A CB 1 +ATOM 1314 O OG . SER A 1 186 ? 7.500 105.983 -36.014 1.00 76.23 ? 187 SER A OG 1 +ATOM 1315 N N . LEU A 1 187 ? 10.059 106.140 -33.691 1.00 77.06 ? 188 LEU A N 1 +ATOM 1316 C CA . LEU A 1 187 ? 10.571 105.046 -32.824 1.00 76.01 ? 188 LEU A CA 1 +ATOM 1317 C C . LEU A 1 187 ? 9.425 104.083 -32.490 1.00 74.21 ? 188 LEU A C 1 +ATOM 1318 O O . LEU A 1 187 ? 9.328 103.669 -31.325 1.00 72.99 ? 188 LEU A O 1 +ATOM 1319 C CB . LEU A 1 187 ? 11.176 105.636 -31.544 1.00 78.95 ? 188 LEU A CB 1 +ATOM 1320 C CG . LEU A 1 187 ? 12.425 106.515 -31.674 1.00 81.67 ? 188 LEU A CG 1 +ATOM 1321 C CD1 . LEU A 1 187 ? 12.781 107.120 -30.322 1.00 81.32 ? 188 LEU A CD1 1 +ATOM 1322 C CD2 . LEU A 1 187 ? 13.631 105.771 -32.254 1.00 84.31 ? 188 LEU A CD2 1 +ATOM 1323 N N . ASP A 1 188 ? 8.558 103.779 -33.458 1.00 75.31 ? 189 ASP A N 1 +ATOM 1324 C CA . ASP A 1 188 ? 7.495 102.750 -33.315 1.00 75.64 ? 189 ASP A CA 1 +ATOM 1325 C C . ASP A 1 188 ? 8.197 101.426 -33.532 1.00 71.18 ? 189 ASP A C 1 +ATOM 1326 O O . ASP A 1 188 ? 9.091 101.398 -34.402 1.00 73.00 ? 189 ASP A O 1 +ATOM 1327 C CB . ASP A 1 188 ? 6.355 102.894 -34.330 1.00 82.07 ? 189 ASP A CB 1 +ATOM 1328 C CG . ASP A 1 188 ? 5.341 103.983 -34.011 1.00 84.86 ? 189 ASP A CG 1 +ATOM 1329 O OD1 . ASP A 1 188 ? 5.109 104.239 -32.807 1.00 84.92 ? 189 ASP A OD1 1 +ATOM 1330 O OD2 . ASP A 1 188 ? 4.792 104.567 -34.972 1.00 89.20 ? 189 ASP A OD2 1 +ATOM 1331 N N . TYR A 1 189 ? 7.821 100.397 -32.779 1.00 66.47 ? 190 TYR A N 1 +ATOM 1332 C CA . TYR A 1 189 ? 8.656 99.186 -32.648 1.00 63.39 ? 190 TYR A CA 1 +ATOM 1333 C C . TYR A 1 189 ? 7.780 97.971 -32.374 1.00 61.73 ? 190 TYR A C 1 +ATOM 1334 O O . TYR A 1 189 ? 6.748 98.138 -31.739 1.00 63.13 ? 190 TYR A O 1 +ATOM 1335 C CB . TYR A 1 189 ? 9.716 99.429 -31.569 1.00 63.28 ? 190 TYR A CB 1 +ATOM 1336 C CG . TYR A 1 189 ? 9.238 99.418 -30.141 1.00 62.64 ? 190 TYR A CG 1 +ATOM 1337 C CD1 . TYR A 1 189 ? 9.079 98.233 -29.456 1.00 65.77 ? 190 TYR A CD1 1 +ATOM 1338 C CD2 . TYR A 1 189 ? 8.994 100.587 -29.455 1.00 63.78 ? 190 TYR A CD2 1 +ATOM 1339 C CE1 . TYR A 1 189 ? 8.675 98.212 -28.131 1.00 67.23 ? 190 TYR A CE1 1 +ATOM 1340 C CE2 . TYR A 1 189 ? 8.579 100.590 -28.134 1.00 65.17 ? 190 TYR A CE2 1 +ATOM 1341 C CZ . TYR A 1 189 ? 8.426 99.395 -27.468 1.00 66.51 ? 190 TYR A CZ 1 +ATOM 1342 O OH . TYR A 1 189 ? 8.014 99.364 -26.173 1.00 69.38 ? 190 TYR A OH 1 +ATOM 1343 N N . TRP A 1 190 ? 8.178 96.822 -32.925 1.00 61.50 ? 191 TRP A N 1 +ATOM 1344 C CA . TRP A 1 190 ? 7.809 95.461 -32.462 1.00 62.58 ? 191 TRP A CA 1 +ATOM 1345 C C . TRP A 1 190 ? 8.841 95.013 -31.426 1.00 61.53 ? 191 TRP A C 1 +ATOM 1346 O O . TRP A 1 190 ? 9.967 95.493 -31.519 1.00 64.46 ? 191 TRP A O 1 +ATOM 1347 C CB . TRP A 1 190 ? 7.810 94.493 -33.639 1.00 64.43 ? 191 TRP A CB 1 +ATOM 1348 C CG . TRP A 1 190 ? 6.941 94.892 -34.787 1.00 66.47 ? 191 TRP A CG 1 +ATOM 1349 C CD1 . TRP A 1 190 ? 5.581 94.808 -34.851 1.00 68.44 ? 191 TRP A CD1 1 +ATOM 1350 C CD2 . TRP A 1 190 ? 7.376 95.382 -36.066 1.00 66.14 ? 191 TRP A CD2 1 +ATOM 1351 N NE1 . TRP A 1 190 ? 5.142 95.246 -36.075 1.00 69.61 ? 191 TRP A NE1 1 +ATOM 1352 C CE2 . TRP A 1 190 ? 6.218 95.593 -36.844 1.00 67.41 ? 191 TRP A CE2 1 +ATOM 1353 C CE3 . TRP A 1 190 ? 8.620 95.656 -36.635 1.00 66.23 ? 191 TRP A CE3 1 +ATOM 1354 C CZ2 . TRP A 1 190 ? 6.269 96.076 -38.148 1.00 67.57 ? 191 TRP A CZ2 1 +ATOM 1355 C CZ3 . TRP A 1 190 ? 8.669 96.133 -37.930 1.00 67.76 ? 191 TRP A CZ3 1 +ATOM 1356 C CH2 . TRP A 1 190 ? 7.510 96.351 -38.673 1.00 66.76 ? 191 TRP A CH2 1 +ATOM 1357 N N . THR A 1 191 ? 8.497 94.121 -30.498 1.00 60.28 ? 192 THR A N 1 +ATOM 1358 C CA . THR A 1 191 ? 9.442 93.580 -29.484 1.00 59.09 ? 192 THR A CA 1 +ATOM 1359 C C . THR A 1 191 ? 9.095 92.126 -29.169 1.00 58.23 ? 192 THR A C 1 +ATOM 1360 O O . THR A 1 191 ? 7.903 91.819 -29.049 1.00 59.44 ? 192 THR A O 1 +ATOM 1361 C CB . THR A 1 191 ? 9.432 94.374 -28.176 1.00 59.95 ? 192 THR A CB 1 +ATOM 1362 O OG1 . THR A 1 191 ? 10.169 93.646 -27.185 1.00 63.57 ? 192 THR A OG1 1 +ATOM 1363 C CG2 . THR A 1 191 ? 8.034 94.602 -27.655 1.00 60.77 ? 192 THR A CG2 1 +ATOM 1364 N N . TYR A 1 192 ? 10.115 91.280 -29.032 1.00 56.81 ? 193 TYR A N 1 +ATOM 1365 C CA . TYR A 1 192 ? 9.973 89.842 -28.710 1.00 57.29 ? 193 TYR A CA 1 +ATOM 1366 C C . TYR A 1 192 ? 11.200 89.356 -27.968 1.00 55.47 ? 193 TYR A C 1 +ATOM 1367 O O . TYR A 1 192 ? 12.274 89.907 -28.095 1.00 54.81 ? 193 TYR A O 1 +ATOM 1368 C CB . TYR A 1 192 ? 9.786 89.005 -29.972 1.00 58.51 ? 193 TYR A CB 1 +ATOM 1369 C CG . TYR A 1 192 ? 11.038 88.755 -30.763 1.00 56.70 ? 193 TYR A CG 1 +ATOM 1370 C CD1 . TYR A 1 192 ? 11.537 89.719 -31.608 1.00 56.04 ? 193 TYR A CD1 1 +ATOM 1371 C CD2 . TYR A 1 192 ? 11.690 87.539 -30.708 1.00 56.55 ? 193 TYR A CD2 1 +ATOM 1372 C CE1 . TYR A 1 192 ? 12.664 89.488 -32.373 1.00 56.18 ? 193 TYR A CE1 1 +ATOM 1373 C CE2 . TYR A 1 192 ? 12.836 87.302 -31.448 1.00 56.50 ? 193 TYR A CE2 1 +ATOM 1374 C CZ . TYR A 1 192 ? 13.316 88.280 -32.295 1.00 56.51 ? 193 TYR A CZ 1 +ATOM 1375 O OH . TYR A 1 192 ? 14.435 88.083 -33.045 1.00 58.43 ? 193 TYR A OH 1 +ATOM 1376 N N . PRO A 1 193 ? 11.074 88.303 -27.156 1.00 57.35 ? 194 PRO A N 1 +ATOM 1377 C CA . PRO A 1 193 ? 12.235 87.743 -26.470 1.00 56.60 ? 194 PRO A CA 1 +ATOM 1378 C C . PRO A 1 193 ? 13.006 86.834 -27.430 1.00 53.84 ? 194 PRO A C 1 +ATOM 1379 O O . PRO A 1 193 ? 12.389 86.024 -28.036 1.00 53.39 ? 194 PRO A O 1 +ATOM 1380 C CB . PRO A 1 193 ? 11.630 86.940 -25.301 1.00 57.54 ? 194 PRO A CB 1 +ATOM 1381 C CG . PRO A 1 193 ? 10.163 86.676 -25.690 1.00 59.09 ? 194 PRO A CG 1 +ATOM 1382 C CD . PRO A 1 193 ? 9.818 87.600 -26.846 1.00 59.18 ? 194 PRO A CD 1 +ATOM 1383 N N . GLY A 1 194 ? 14.324 86.960 -27.497 1.00 53.26 ? 195 GLY A N 1 +ATOM 1384 C CA . GLY A 1 194 ? 15.136 86.186 -28.451 1.00 54.38 ? 195 GLY A CA 1 +ATOM 1385 C C . GLY A 1 194 ? 16.565 85.993 -27.979 1.00 55.24 ? 195 GLY A C 1 +ATOM 1386 O O . GLY A 1 194 ? 16.798 85.936 -26.712 1.00 59.47 ? 195 GLY A O 1 +ATOM 1387 N N . SER A 1 195 ? 17.475 85.917 -28.961 1.00 55.48 ? 196 SER A N 1 +ATOM 1388 C CA . SER A 1 195 ? 18.907 85.562 -28.803 1.00 58.34 ? 196 SER A CA 1 +ATOM 1389 C C . SER A 1 195 ? 19.819 86.488 -29.614 1.00 58.76 ? 196 SER A C 1 +ATOM 1390 O O . SER A 1 195 ? 19.334 87.215 -30.511 1.00 61.77 ? 196 SER A O 1 +ATOM 1391 C CB . SER A 1 195 ? 19.127 84.167 -29.276 1.00 61.58 ? 196 SER A CB 1 +ATOM 1392 O OG . SER A 1 195 ? 19.158 84.146 -30.704 1.00 64.24 ? 196 SER A OG 1 +ATOM 1393 N N . LEU A 1 196 ? 21.119 86.383 -29.352 1.00 57.69 ? 197 LEU A N 1 +ATOM 1394 C CA . LEU A 1 196 ? 22.185 86.794 -30.297 1.00 57.93 ? 197 LEU A CA 1 +ATOM 1395 C C . LEU A 1 196 ? 21.897 86.096 -31.619 1.00 56.90 ? 197 LEU A C 1 +ATOM 1396 O O . LEU A 1 196 ? 21.616 84.895 -31.603 1.00 56.97 ? 197 LEU A O 1 +ATOM 1397 C CB . LEU A 1 196 ? 23.563 86.381 -29.764 1.00 57.87 ? 197 LEU A CB 1 +ATOM 1398 C CG . LEU A 1 196 ? 23.890 86.829 -28.339 1.00 56.87 ? 197 LEU A CG 1 +ATOM 1399 C CD1 . LEU A 1 196 ? 25.341 86.549 -28.023 1.00 58.25 ? 197 LEU A CD1 1 +ATOM 1400 C CD2 . LEU A 1 196 ? 23.591 88.308 -28.135 1.00 57.60 ? 197 LEU A CD2 1 +ATOM 1401 N N . THR A 1 197 ? 21.953 86.820 -32.719 1.00 57.14 ? 198 THR A N 1 +ATOM 1402 C CA . THR A 1 197 ? 21.849 86.206 -34.064 1.00 58.85 ? 198 THR A CA 1 +ATOM 1403 C C . THR A 1 197 ? 23.133 85.435 -34.410 1.00 59.56 ? 198 THR A C 1 +ATOM 1404 O O . THR A 1 197 ? 23.033 84.498 -35.184 1.00 64.90 ? 198 THR A O 1 +ATOM 1405 C CB . THR A 1 197 ? 21.473 87.278 -35.078 1.00 59.21 ? 198 THR A CB 1 +ATOM 1406 O OG1 . THR A 1 197 ? 22.461 88.312 -35.050 1.00 59.35 ? 198 THR A OG1 1 +ATOM 1407 C CG2 . THR A 1 197 ? 20.112 87.864 -34.778 1.00 60.50 ? 198 THR A CG2 1 +ATOM 1408 N N . THR A 1 198 ? 24.284 85.786 -33.846 1.00 59.34 ? 199 THR A N 1 +ATOM 1409 C CA . THR A 1 198 ? 25.580 85.109 -34.097 1.00 61.65 ? 199 THR A CA 1 +ATOM 1410 C C . THR A 1 198 ? 26.031 84.339 -32.869 1.00 62.01 ? 199 THR A C 1 +ATOM 1411 O O . THR A 1 198 ? 25.715 84.754 -31.761 1.00 63.62 ? 199 THR A O 1 +ATOM 1412 C CB . THR A 1 198 ? 26.698 86.112 -34.384 1.00 63.80 ? 199 THR A CB 1 +ATOM 1413 O OG1 . THR A 1 198 ? 26.860 86.948 -33.232 1.00 60.09 ? 199 THR A OG1 1 +ATOM 1414 C CG2 . THR A 1 198 ? 26.425 86.915 -35.635 1.00 64.90 ? 199 THR A CG2 1 +ATOM 1415 N N . PRO A 1 199 ? 26.848 83.267 -33.024 1.00 63.94 ? 200 PRO A N 1 +ATOM 1416 C CA . PRO A 1 199 ? 27.377 82.505 -31.888 1.00 63.13 ? 200 PRO A CA 1 +ATOM 1417 C C . PRO A 1 199 ? 28.011 83.457 -30.892 1.00 61.64 ? 200 PRO A C 1 +ATOM 1418 O O . PRO A 1 199 ? 28.641 84.411 -31.334 1.00 60.86 ? 200 PRO A O 1 +ATOM 1419 C CB . PRO A 1 199 ? 28.495 81.653 -32.482 1.00 63.74 ? 200 PRO A CB 1 +ATOM 1420 C CG . PRO A 1 199 ? 28.095 81.502 -33.937 1.00 65.20 ? 200 PRO A CG 1 +ATOM 1421 C CD . PRO A 1 199 ? 27.385 82.784 -34.302 1.00 64.29 ? 200 PRO A CD 1 +ATOM 1422 N N . PRO A 1 200 ? 27.918 83.242 -29.558 1.00 60.68 ? 201 PRO A N 1 +ATOM 1423 C CA . PRO A 1 200 ? 27.260 82.078 -28.958 1.00 60.00 ? 201 PRO A CA 1 +ATOM 1424 C C . PRO A 1 200 ? 25.727 81.989 -28.848 1.00 59.14 ? 201 PRO A C 1 +ATOM 1425 O O . PRO A 1 200 ? 25.246 81.249 -27.996 1.00 60.06 ? 201 PRO A O 1 +ATOM 1426 C CB . PRO A 1 200 ? 27.825 82.124 -27.528 1.00 61.83 ? 201 PRO A CB 1 +ATOM 1427 C CG . PRO A 1 200 ? 28.053 83.581 -27.255 1.00 61.55 ? 201 PRO A CG 1 +ATOM 1428 C CD . PRO A 1 200 ? 28.613 84.069 -28.560 1.00 61.00 ? 201 PRO A CD 1 +ATOM 1429 N N . LEU A 1 201 ? 24.980 82.688 -29.703 1.00 57.34 ? 202 LEU A N 1 +ATOM 1430 C CA . LEU A 1 201 ? 23.518 82.477 -29.873 1.00 56.17 ? 202 LEU A CA 1 +ATOM 1431 C C . LEU A 1 201 ? 22.774 82.419 -28.527 1.00 56.11 ? 202 LEU A C 1 +ATOM 1432 O O . LEU A 1 201 ? 21.681 81.800 -28.543 1.00 58.22 ? 202 LEU A O 1 +ATOM 1433 C CB . LEU A 1 201 ? 23.310 81.162 -30.630 1.00 57.63 ? 202 LEU A CB 1 +ATOM 1434 C CG . LEU A 1 201 ? 23.867 81.096 -32.056 1.00 59.87 ? 202 LEU A CG 1 +ATOM 1435 C CD1 . LEU A 1 201 ? 23.596 79.739 -32.692 1.00 60.91 ? 202 LEU A CD1 1 +ATOM 1436 C CD2 . LEU A 1 201 ? 23.276 82.185 -32.930 1.00 60.95 ? 202 LEU A CD2 1 +ATOM 1437 N N . LEU A 1 202 ? 23.299 83.035 -27.441 1.00 53.50 ? 203 LEU A N 1 +ATOM 1438 C CA . LEU A 1 202 ? 22.701 83.059 -26.066 1.00 51.63 ? 203 LEU A CA 1 +ATOM 1439 C C . LEU A 1 202 ? 21.327 83.727 -26.102 1.00 51.40 ? 203 LEU A C 1 +ATOM 1440 O O . LEU A 1 202 ? 21.150 84.763 -26.721 1.00 48.68 ? 203 LEU A O 1 +ATOM 1441 C CB . LEU A 1 202 ? 23.582 83.790 -25.043 1.00 49.84 ? 203 LEU A CB 1 +ATOM 1442 C CG . LEU A 1 202 ? 24.928 83.129 -24.756 1.00 50.10 ? 203 LEU A CG 1 +ATOM 1443 C CD1 . LEU A 1 202 ? 25.801 83.982 -23.872 1.00 49.99 ? 203 LEU A CD1 1 +ATOM 1444 C CD2 . LEU A 1 202 ? 24.741 81.785 -24.105 1.00 52.18 ? 203 LEU A CD2 1 +ATOM 1445 N N . GLU A 1 203 ? 20.378 83.095 -25.439 1.00 54.21 ? 204 GLU A N 1 +ATOM 1446 C CA . GLU A 1 203 ? 18.978 83.540 -25.398 1.00 55.85 ? 204 GLU A CA 1 +ATOM 1447 C C . GLU A 1 203 ? 18.902 84.538 -24.248 1.00 56.91 ? 204 GLU A C 1 +ATOM 1448 O O . GLU A 1 203 ? 18.453 84.149 -23.142 1.00 63.17 ? 204 GLU A O 1 +ATOM 1449 C CB . GLU A 1 203 ? 18.079 82.306 -25.250 1.00 57.54 ? 204 GLU A CB 1 +ATOM 1450 C CG . GLU A 1 203 ? 18.451 81.177 -26.180 1.00 58.40 ? 204 GLU A CG 1 +ATOM 1451 C CD . GLU A 1 203 ? 17.314 80.232 -26.508 1.00 61.38 ? 204 GLU A CD 1 +ATOM 1452 O OE1 . GLU A 1 203 ? 16.815 79.588 -25.572 1.00 62.96 ? 204 GLU A OE1 1 +ATOM 1453 O OE2 . GLU A 1 203 ? 16.940 80.136 -27.716 1.00 64.35 ? 204 GLU A OE2 1 +ATOM 1454 N N . CYS A 1 204 ? 19.412 85.748 -24.459 1.00 55.41 ? 205 CYS A N 1 +ATOM 1455 C CA . CYS A 1 204 ? 19.573 86.757 -23.380 1.00 51.80 ? 205 CYS A CA 1 +ATOM 1456 C C . CYS A 1 204 ? 19.128 88.134 -23.812 1.00 49.45 ? 205 CYS A C 1 +ATOM 1457 O O . CYS A 1 204 ? 19.743 89.065 -23.347 1.00 48.17 ? 205 CYS A O 1 +ATOM 1458 C CB . CYS A 1 204 ? 21.024 86.913 -22.971 1.00 52.72 ? 205 CYS A CB 1 +ATOM 1459 S SG . CYS A 1 204 ? 22.161 87.377 -24.294 1.00 53.91 ? 205 CYS A SG 1 +ATOM 1460 N N . VAL A 1 205 ? 18.131 88.236 -24.689 1.00 49.43 ? 206 VAL A N 1 +ATOM 1461 C CA . VAL A 1 205 ? 17.905 89.468 -25.500 1.00 48.72 ? 206 VAL A CA 1 +ATOM 1462 C C . VAL A 1 205 ? 16.417 89.749 -25.547 1.00 49.90 ? 206 VAL A C 1 +ATOM 1463 O O . VAL A 1 205 ? 15.669 88.852 -25.970 1.00 53.51 ? 206 VAL A O 1 +ATOM 1464 C CB . VAL A 1 205 ? 18.485 89.370 -26.927 1.00 47.26 ? 206 VAL A CB 1 +ATOM 1465 C CG1 . VAL A 1 205 ? 17.922 90.454 -27.831 1.00 47.12 ? 206 VAL A CG1 1 +ATOM 1466 C CG2 . VAL A 1 205 ? 20.002 89.417 -26.923 1.00 45.96 ? 206 VAL A CG2 1 +ATOM 1467 N N . THR A 1 206 ? 16.054 90.970 -25.165 1.00 49.20 ? 207 THR A N 1 +ATOM 1468 C CA . THR A 1 206 ? 14.758 91.610 -25.449 1.00 49.11 ? 207 THR A CA 1 +ATOM 1469 C C . THR A 1 206 ? 14.946 92.392 -26.735 1.00 48.36 ? 207 THR A C 1 +ATOM 1470 O O . THR A 1 206 ? 15.671 93.380 -26.674 1.00 49.48 ? 207 THR A O 1 +ATOM 1471 C CB . THR A 1 206 ? 14.386 92.527 -24.293 1.00 50.26 ? 207 THR A CB 1 +ATOM 1472 O OG1 . THR A 1 206 ? 14.390 91.691 -23.129 1.00 52.93 ? 207 THR A OG1 1 +ATOM 1473 C CG2 . THR A 1 206 ? 13.076 93.232 -24.548 1.00 50.87 ? 207 THR A CG2 1 +ATOM 1474 N N . TRP A 1 207 ? 14.449 91.901 -27.863 1.00 47.78 ? 208 TRP A N 1 +ATOM 1475 C CA . TRP A 1 207 ? 14.633 92.607 -29.156 1.00 48.39 ? 208 TRP A CA 1 +ATOM 1476 C C . TRP A 1 207 ? 13.687 93.792 -29.183 1.00 50.78 ? 208 TRP A C 1 +ATOM 1477 O O . TRP A 1 207 ? 12.569 93.700 -28.620 1.00 53.51 ? 208 TRP A O 1 +ATOM 1478 C CB . TRP A 1 207 ? 14.434 91.705 -30.378 1.00 48.57 ? 208 TRP A CB 1 +ATOM 1479 C CG . TRP A 1 207 ? 15.651 90.885 -30.661 1.00 48.01 ? 208 TRP A CG 1 +ATOM 1480 C CD1 . TRP A 1 207 ? 15.937 89.623 -30.229 1.00 48.43 ? 208 TRP A CD1 1 +ATOM 1481 C CD2 . TRP A 1 207 ? 16.810 91.332 -31.355 1.00 47.32 ? 208 TRP A CD2 1 +ATOM 1482 N NE1 . TRP A 1 207 ? 17.182 89.244 -30.643 1.00 47.77 ? 208 TRP A NE1 1 +ATOM 1483 C CE2 . TRP A 1 207 ? 17.736 90.275 -31.336 1.00 48.05 ? 208 TRP A CE2 1 +ATOM 1484 C CE3 . TRP A 1 207 ? 17.126 92.509 -32.032 1.00 49.42 ? 208 TRP A CE3 1 +ATOM 1485 C CZ2 . TRP A 1 207 ? 18.952 90.353 -32.006 1.00 51.35 ? 208 TRP A CZ2 1 +ATOM 1486 C CZ3 . TRP A 1 207 ? 18.346 92.609 -32.665 1.00 50.84 ? 208 TRP A CZ3 1 +ATOM 1487 C CH2 . TRP A 1 207 ? 19.253 91.544 -32.641 1.00 51.89 ? 208 TRP A CH2 1 +ATOM 1488 N N . ILE A 1 208 ? 14.149 94.879 -29.787 1.00 51.65 ? 209 ILE A N 1 +ATOM 1489 C CA . ILE A 1 208 ? 13.313 96.065 -30.099 1.00 51.75 ? 209 ILE A CA 1 +ATOM 1490 C C . ILE A 1 208 ? 13.540 96.401 -31.577 1.00 52.38 ? 209 ILE A C 1 +ATOM 1491 O O . ILE A 1 208 ? 14.547 97.039 -31.917 1.00 51.27 ? 209 ILE A O 1 +ATOM 1492 C CB . ILE A 1 208 ? 13.659 97.156 -29.073 1.00 49.94 ? 209 ILE A CB 1 +ATOM 1493 C CG1 . ILE A 1 208 ? 13.107 96.750 -27.710 1.00 50.93 ? 209 ILE A CG1 1 +ATOM 1494 C CG2 . ILE A 1 208 ? 13.113 98.495 -29.500 1.00 51.61 ? 209 ILE A CG2 1 +ATOM 1495 C CD1 . ILE A 1 208 ? 13.554 97.633 -26.559 1.00 51.96 ? 209 ILE A CD1 1 +ATOM 1496 N N . VAL A 1 209 ? 12.711 95.856 -32.457 1.00 55.52 ? 210 VAL A N 1 +ATOM 1497 C CA . VAL A 1 209 ? 12.810 96.134 -33.927 1.00 57.39 ? 210 VAL A CA 1 +ATOM 1498 C C . VAL A 1 209 ? 11.879 97.292 -34.286 1.00 58.78 ? 210 VAL A C 1 +ATOM 1499 O O . VAL A 1 209 ? 10.669 97.143 -34.020 1.00 61.49 ? 210 VAL A O 1 +ATOM 1500 C CB . VAL A 1 209 ? 12.449 94.893 -34.743 1.00 58.60 ? 210 VAL A CB 1 +ATOM 1501 C CG1 . VAL A 1 209 ? 12.637 95.160 -36.216 1.00 61.06 ? 210 VAL A CG1 1 +ATOM 1502 C CG2 . VAL A 1 209 ? 13.244 93.670 -34.297 1.00 58.92 ? 210 VAL A CG2 1 +ATOM 1503 N N . LEU A 1 210 ? 12.421 98.361 -34.896 1.00 59.96 ? 211 LEU A N 1 +ATOM 1504 C CA . LEU A 1 210 ? 11.706 99.607 -35.327 1.00 60.93 ? 211 LEU A CA 1 +ATOM 1505 C C . LEU A 1 210 ? 11.063 99.432 -36.722 1.00 64.83 ? 211 LEU A C 1 +ATOM 1506 O O . LEU A 1 210 ? 11.820 98.940 -37.644 1.00 63.40 ? 211 LEU A O 1 +ATOM 1507 C CB . LEU A 1 210 ? 12.716 100.760 -35.396 1.00 59.55 ? 211 LEU A CB 1 +ATOM 1508 C CG . LEU A 1 210 ? 13.395 101.213 -34.101 1.00 58.35 ? 211 LEU A CG 1 +ATOM 1509 C CD1 . LEU A 1 210 ? 14.007 102.586 -34.295 1.00 58.95 ? 211 LEU A CD1 1 +ATOM 1510 C CD2 . LEU A 1 210 ? 12.440 101.261 -32.919 1.00 58.53 ? 211 LEU A CD2 1 +ATOM 1511 N N . LYS A 1 211 ? 9.788 99.886 -36.885 1.00 66.29 ? 212 LYS A N 1 +ATOM 1512 C CA . LYS A 1 211 ? 8.954 99.790 -38.132 1.00 69.25 ? 212 LYS A CA 1 +ATOM 1513 C C . LYS A 1 211 ? 9.618 100.586 -39.237 1.00 71.81 ? 212 LYS A C 1 +ATOM 1514 O O . LYS A 1 211 ? 9.682 100.074 -40.361 1.00 75.25 ? 212 LYS A O 1 +ATOM 1515 C CB . LYS A 1 211 ? 7.543 100.382 -38.029 1.00 67.45 ? 212 LYS A CB 1 +ATOM 1516 N N . GLU A 1 212 ? 10.075 101.790 -38.895 1.00 76.57 ? 213 GLU A N 1 +ATOM 1517 C CA . GLU A 1 212 ? 10.633 102.789 -39.847 1.00 81.66 ? 213 GLU A CA 1 +ATOM 1518 C C . GLU A 1 212 ? 12.110 102.486 -40.087 1.00 78.09 ? 213 GLU A C 1 +ATOM 1519 O O . GLU A 1 212 ? 12.897 102.379 -39.144 1.00 76.28 ? 213 GLU A O 1 +ATOM 1520 C CB . GLU A 1 212 ? 10.437 104.212 -39.323 1.00 86.83 ? 213 GLU A CB 1 +ATOM 1521 C CG . GLU A 1 212 ? 10.279 105.226 -40.437 1.00 94.07 ? 213 GLU A CG 1 +ATOM 1522 C CD . GLU A 1 212 ? 10.675 106.642 -40.062 1.00 99.65 ? 213 GLU A CD 1 +ATOM 1523 O OE1 . GLU A 1 212 ? 9.961 107.256 -39.241 1.00 102.49 ? 213 GLU A OE1 1 +ATOM 1524 O OE2 . GLU A 1 212 ? 11.709 107.121 -40.589 1.00 107.46 ? 213 GLU A OE2 1 +ATOM 1525 N N . PRO A 1 213 ? 12.517 102.254 -41.353 1.00 75.24 ? 214 PRO A N 1 +ATOM 1526 C CA . PRO A 1 213 ? 13.930 102.092 -41.685 1.00 75.27 ? 214 PRO A CA 1 +ATOM 1527 C C . PRO A 1 213 ? 14.593 103.472 -41.710 1.00 75.77 ? 214 PRO A C 1 +ATOM 1528 O O . PRO A 1 213 ? 13.871 104.447 -41.687 1.00 79.81 ? 214 PRO A O 1 +ATOM 1529 C CB . PRO A 1 213 ? 13.932 101.419 -43.067 1.00 77.41 ? 214 PRO A CB 1 +ATOM 1530 C CG . PRO A 1 213 ? 12.483 100.997 -43.284 1.00 77.89 ? 214 PRO A CG 1 +ATOM 1531 C CD . PRO A 1 213 ? 11.648 101.993 -42.503 1.00 76.78 ? 214 PRO A CD 1 +ATOM 1532 N N . ILE A 1 214 ? 15.925 103.528 -41.714 1.00 73.63 ? 215 ILE A N 1 +ATOM 1533 C CA . ILE A 1 214 ? 16.652 104.768 -42.116 1.00 74.89 ? 215 ILE A CA 1 +ATOM 1534 C C . ILE A 1 214 ? 16.977 104.614 -43.605 1.00 79.47 ? 215 ILE A C 1 +ATOM 1535 O O . ILE A 1 214 ? 16.737 103.494 -44.138 1.00 78.30 ? 215 ILE A O 1 +ATOM 1536 C CB . ILE A 1 214 ? 17.902 105.031 -41.247 1.00 70.07 ? 215 ILE A CB 1 +ATOM 1537 C CG1 . ILE A 1 214 ? 18.769 103.785 -41.090 1.00 66.57 ? 215 ILE A CG1 1 +ATOM 1538 C CG2 . ILE A 1 214 ? 17.511 105.619 -39.895 1.00 69.62 ? 215 ILE A CG2 1 +ATOM 1539 C CD1 . ILE A 1 214 ? 20.177 104.090 -40.670 1.00 65.74 ? 215 ILE A CD1 1 +ATOM 1540 N N . SER A 1 215 ? 17.490 105.674 -44.236 1.00 84.03 ? 216 SER A N 1 +ATOM 1541 C CA . SER A 1 215 ? 18.045 105.655 -45.619 1.00 91.74 ? 216 SER A CA 1 +ATOM 1542 C C . SER A 1 215 ? 19.575 105.465 -45.568 1.00 94.61 ? 216 SER A C 1 +ATOM 1543 O O . SER A 1 215 ? 20.186 105.844 -44.552 1.00 96.64 ? 216 SER A O 1 +ATOM 1544 C CB . SER A 1 215 ? 17.653 106.906 -46.381 1.00 90.83 ? 216 SER A CB 1 +ATOM 1545 N N . VAL A 1 216 ? 20.167 104.866 -46.609 1.00 97.09 ? 217 VAL A N 1 +ATOM 1546 C CA . VAL A 1 216 ? 21.618 105.006 -46.951 1.00 96.58 ? 217 VAL A CA 1 +ATOM 1547 C C . VAL A 1 216 ? 21.744 105.092 -48.488 1.00 99.26 ? 217 VAL A C 1 +ATOM 1548 O O . VAL A 1 216 ? 20.979 104.407 -49.226 1.00 97.11 ? 217 VAL A O 1 +ATOM 1549 C CB . VAL A 1 216 ? 22.490 103.883 -46.343 1.00 89.67 ? 217 VAL A CB 1 +ATOM 1550 N N . SER A 1 217 ? 22.669 105.924 -48.965 1.00 98.41 ? 218 SER A N 1 +ATOM 1551 C CA . SER A 1 217 ? 22.985 106.083 -50.405 1.00 99.30 ? 218 SER A CA 1 +ATOM 1552 C C . SER A 1 217 ? 23.666 104.814 -50.942 1.00 101.82 ? 218 SER A C 1 +ATOM 1553 O O . SER A 1 217 ? 24.315 104.096 -50.163 1.00 96.32 ? 218 SER A O 1 +ATOM 1554 C CB . SER A 1 217 ? 23.836 107.305 -50.622 1.00 99.37 ? 218 SER A CB 1 +ATOM 1555 O OG . SER A 1 217 ? 25.210 107.026 -50.392 1.00 97.26 ? 218 SER A OG 1 +ATOM 1556 N N . SER A 1 218 ? 23.539 104.563 -52.251 1.00 111.43 ? 219 SER A N 1 +ATOM 1557 C CA . SER A 1 218 ? 24.272 103.504 -53.001 1.00 112.93 ? 219 SER A CA 1 +ATOM 1558 C C . SER A 1 218 ? 25.778 103.660 -52.743 1.00 115.32 ? 219 SER A C 1 +ATOM 1559 O O . SER A 1 218 ? 26.432 102.632 -52.444 1.00 113.86 ? 219 SER A O 1 +ATOM 1560 C CB . SER A 1 218 ? 23.940 103.548 -54.474 1.00 112.59 ? 219 SER A CB 1 +ATOM 1561 N N . GLU A 1 219 ? 26.273 104.911 -52.793 1.00 116.94 ? 220 GLU A N 1 +ATOM 1562 C CA . GLU A 1 219 ? 27.686 105.319 -52.522 1.00 115.29 ? 220 GLU A CA 1 +ATOM 1563 C C . GLU A 1 219 ? 28.144 104.813 -51.138 1.00 110.38 ? 220 GLU A C 1 +ATOM 1564 O O . GLU A 1 219 ? 29.374 104.710 -50.924 1.00 107.16 ? 220 GLU A O 1 +ATOM 1565 C CB . GLU A 1 219 ? 27.815 106.843 -52.656 1.00 113.84 ? 220 GLU A CB 1 +ATOM 1566 N N . GLN A 1 220 ? 27.201 104.488 -50.244 1.00 107.16 ? 221 GLN A N 1 +ATOM 1567 C CA . GLN A 1 220 ? 27.459 104.148 -48.817 1.00 106.33 ? 221 GLN A CA 1 +ATOM 1568 C C . GLN A 1 220 ? 27.482 102.619 -48.634 1.00 109.40 ? 221 GLN A C 1 +ATOM 1569 O O . GLN A 1 220 ? 28.348 102.101 -47.858 1.00 104.19 ? 221 GLN A O 1 +ATOM 1570 C CB . GLN A 1 220 ? 26.413 104.839 -47.929 1.00 103.22 ? 221 GLN A CB 1 +ATOM 1571 C CG . GLN A 1 220 ? 26.734 106.302 -47.632 1.00 101.69 ? 221 GLN A CG 1 +ATOM 1572 C CD . GLN A 1 220 ? 25.767 106.970 -46.678 1.00 98.07 ? 221 GLN A CD 1 +ATOM 1573 O OE1 . GLN A 1 220 ? 24.547 106.745 -46.708 1.00 93.04 ? 221 GLN A OE1 1 +ATOM 1574 N NE2 . GLN A 1 220 ? 26.319 107.827 -45.829 1.00 95.06 ? 221 GLN A NE2 1 +ATOM 1575 N N . VAL A 1 221 ? 26.576 101.908 -49.314 1.00 115.78 ? 222 VAL A N 1 +ATOM 1576 C CA . VAL A 1 221 ? 26.454 100.421 -49.223 1.00 117.91 ? 222 VAL A CA 1 +ATOM 1577 C C . VAL A 1 221 ? 27.642 99.771 -49.966 1.00 124.10 ? 222 VAL A C 1 +ATOM 1578 O O . VAL A 1 221 ? 28.162 98.760 -49.457 1.00 123.49 ? 222 VAL A O 1 +ATOM 1579 C CB . VAL A 1 221 ? 25.072 99.945 -49.721 1.00 116.77 ? 222 VAL A CB 1 +ATOM 1580 C CG1 . VAL A 1 221 ? 24.835 100.259 -51.193 1.00 119.81 ? 222 VAL A CG1 1 +ATOM 1581 C CG2 . VAL A 1 221 ? 24.853 98.461 -49.438 1.00 115.60 ? 222 VAL A CG2 1 +ATOM 1582 N N . LEU A 1 222 ? 28.090 100.347 -51.093 1.00 131.31 ? 223 LEU A N 1 +ATOM 1583 C CA . LEU A 1 222 ? 29.263 99.855 -51.880 1.00 135.77 ? 223 LEU A CA 1 +ATOM 1584 C C . LEU A 1 222 ? 30.561 100.019 -51.064 1.00 135.34 ? 223 LEU A C 1 +ATOM 1585 O O . LEU A 1 222 ? 31.406 99.102 -51.131 1.00 138.75 ? 223 LEU A O 1 +ATOM 1586 C CB . LEU A 1 222 ? 29.346 100.589 -53.227 1.00 135.55 ? 223 LEU A CB 1 +ATOM 1587 N N . LYS A 1 223 ? 30.728 101.125 -50.320 1.00 131.49 ? 224 LYS A N 1 +ATOM 1588 C CA . LYS A 1 223 ? 31.952 101.402 -49.507 1.00 126.81 ? 224 LYS A CA 1 +ATOM 1589 C C . LYS A 1 223 ? 31.989 100.453 -48.298 1.00 122.16 ? 224 LYS A C 1 +ATOM 1590 O O . LYS A 1 223 ? 33.094 100.285 -47.729 1.00 117.16 ? 224 LYS A O 1 +ATOM 1591 C CB . LYS A 1 223 ? 32.036 102.876 -49.080 1.00 124.73 ? 224 LYS A CB 1 +ATOM 1592 C CG . LYS A 1 223 ? 32.562 103.846 -50.137 1.00 123.58 ? 224 LYS A CG 1 +ATOM 1593 N N . PHE A 1 224 ? 30.839 99.848 -47.947 1.00 120.36 ? 225 PHE A N 1 +ATOM 1594 C CA . PHE A 1 224 ? 30.652 98.866 -46.840 1.00 117.75 ? 225 PHE A CA 1 +ATOM 1595 C C . PHE A 1 224 ? 31.157 97.464 -47.233 1.00 117.69 ? 225 PHE A C 1 +ATOM 1596 O O . PHE A 1 224 ? 31.240 96.598 -46.323 1.00 116.64 ? 225 PHE A O 1 +ATOM 1597 C CB . PHE A 1 224 ? 29.179 98.803 -46.409 1.00 114.42 ? 225 PHE A CB 1 +ATOM 1598 N N . ARG A 1 225 ? 31.469 97.233 -48.521 1.00 118.34 ? 226 ARG A N 1 +ATOM 1599 C CA . ARG A 1 225 ? 31.989 95.939 -49.057 1.00 116.05 ? 226 ARG A CA 1 +ATOM 1600 C C . ARG A 1 225 ? 33.450 96.110 -49.516 1.00 116.88 ? 226 ARG A C 1 +ATOM 1601 O O . ARG A 1 225 ? 34.274 95.266 -49.131 1.00 107.34 ? 226 ARG A O 1 +ATOM 1602 C CB . ARG A 1 225 ? 31.072 95.417 -50.170 1.00 115.16 ? 226 ARG A CB 1 +ATOM 1603 C CG . ARG A 1 225 ? 29.615 95.273 -49.751 1.00 113.62 ? 226 ARG A CG 1 +ATOM 1604 C CD . ARG A 1 225 ? 28.748 94.699 -50.854 1.00 117.66 ? 226 ARG A CD 1 +ATOM 1605 N NE . ARG A 1 225 ? 27.345 94.538 -50.467 1.00 119.37 ? 226 ARG A NE 1 +ATOM 1606 C CZ . ARG A 1 225 ? 26.322 95.302 -50.875 1.00 119.91 ? 226 ARG A CZ 1 +ATOM 1607 N NH1 . ARG A 1 225 ? 26.524 96.322 -51.695 1.00 119.20 ? 226 ARG A NH1 1 +ATOM 1608 N NH2 . ARG A 1 225 ? 25.091 95.041 -50.452 1.00 118.52 ? 226 ARG A NH2 1 +ATOM 1609 N N . LYS A 1 226 ? 33.732 97.157 -50.299 1.00 125.26 ? 227 LYS A N 1 +ATOM 1610 C CA . LYS A 1 226 ? 35.108 97.420 -50.801 1.00 126.78 ? 227 LYS A CA 1 +ATOM 1611 C C . LYS A 1 226 ? 36.007 97.819 -49.625 1.00 126.14 ? 227 LYS A C 1 +ATOM 1612 O O . LYS A 1 226 ? 36.128 96.996 -48.697 1.00 121.51 ? 227 LYS A O 1 +ATOM 1613 C CB . LYS A 1 226 ? 35.084 98.516 -51.872 1.00 123.83 ? 227 LYS A CB 1 +ATOM 1614 N N . MET A 1 239 ? 33.067 90.617 -47.714 1.00 134.26 ? 240 MET A N 1 +ATOM 1615 C CA . MET A 1 239 ? 32.243 90.430 -46.483 1.00 132.26 ? 240 MET A CA 1 +ATOM 1616 C C . MET A 1 239 ? 30.772 90.749 -46.790 1.00 129.06 ? 240 MET A C 1 +ATOM 1617 O O . MET A 1 239 ? 30.344 91.874 -46.481 1.00 130.07 ? 240 MET A O 1 +ATOM 1618 C CB . MET A 1 239 ? 32.738 91.333 -45.341 1.00 132.53 ? 240 MET A CB 1 +ATOM 1619 C CG . MET A 1 239 ? 31.972 91.151 -44.025 1.00 132.20 ? 240 MET A CG 1 +ATOM 1620 S SD . MET A 1 239 ? 32.661 92.078 -42.610 1.00 130.44 ? 240 MET A SD 1 +ATOM 1621 C CE . MET A 1 239 ? 34.140 91.117 -42.281 1.00 130.06 ? 240 MET A CE 1 +ATOM 1622 N N . VAL A 1 240 ? 30.026 89.789 -47.355 1.00 125.07 ? 241 VAL A N 1 +ATOM 1623 C CA . VAL A 1 240 ? 28.607 89.968 -47.798 1.00 121.79 ? 241 VAL A CA 1 +ATOM 1624 C C . VAL A 1 240 ? 27.737 88.847 -47.209 1.00 116.52 ? 241 VAL A C 1 +ATOM 1625 O O . VAL A 1 240 ? 28.294 87.893 -46.647 1.00 114.33 ? 241 VAL A O 1 +ATOM 1626 C CB . VAL A 1 240 ? 28.488 90.033 -49.337 1.00 122.59 ? 241 VAL A CB 1 +ATOM 1627 N N . ASP A 1 241 ? 26.414 89.014 -47.312 1.00 115.40 ? 242 ASP A N 1 +ATOM 1628 C CA . ASP A 1 241 ? 25.326 88.095 -46.868 1.00 113.06 ? 242 ASP A CA 1 +ATOM 1629 C C . ASP A 1 241 ? 25.536 87.610 -45.406 1.00 109.04 ? 242 ASP A C 1 +ATOM 1630 O O . ASP A 1 241 ? 25.077 86.484 -45.089 1.00 109.40 ? 242 ASP A O 1 +ATOM 1631 C CB . ASP A 1 241 ? 25.142 86.994 -47.923 1.00 111.85 ? 242 ASP A CB 1 +ATOM 1632 N N . ASN A 1 242 ? 26.091 88.450 -44.509 1.00 104.16 ? 243 ASN A N 1 +ATOM 1633 C CA . ASN A 1 242 ? 26.533 88.079 -43.126 1.00 98.78 ? 243 ASN A CA 1 +ATOM 1634 C C . ASN A 1 242 ? 25.390 88.257 -42.106 1.00 95.37 ? 243 ASN A C 1 +ATOM 1635 O O . ASN A 1 242 ? 25.551 89.029 -41.135 1.00 88.45 ? 243 ASN A O 1 +ATOM 1636 C CB . ASN A 1 242 ? 27.807 88.826 -42.705 1.00 97.97 ? 243 ASN A CB 1 +ATOM 1637 C CG . ASN A 1 242 ? 27.626 90.312 -42.443 1.00 98.55 ? 243 ASN A CG 1 +ATOM 1638 O OD1 . ASN A 1 242 ? 26.638 90.919 -42.847 1.00 100.20 ? 243 ASN A OD1 1 +ATOM 1639 N ND2 . ASN A 1 242 ? 28.597 90.923 -41.783 1.00 98.42 ? 243 ASN A ND2 1 +ATOM 1640 N N . TRP A 1 243 ? 24.300 87.510 -42.303 1.00 98.38 ? 244 TRP A N 1 +ATOM 1641 C CA . TRP A 1 243 ? 23.056 87.491 -41.482 1.00 97.42 ? 244 TRP A CA 1 +ATOM 1642 C C . TRP A 1 243 ? 22.658 86.016 -41.273 1.00 95.80 ? 244 TRP A C 1 +ATOM 1643 O O . TRP A 1 243 ? 23.555 85.161 -41.439 1.00 100.01 ? 244 TRP A O 1 +ATOM 1644 C CB . TRP A 1 243 ? 21.956 88.343 -42.150 1.00 101.95 ? 244 TRP A CB 1 +ATOM 1645 C CG . TRP A 1 243 ? 21.805 88.145 -43.631 1.00 109.64 ? 244 TRP A CG 1 +ATOM 1646 C CD1 . TRP A 1 243 ? 22.648 88.598 -44.606 1.00 110.47 ? 244 TRP A CD1 1 +ATOM 1647 C CD2 . TRP A 1 243 ? 20.741 87.451 -44.315 1.00 117.22 ? 244 TRP A CD2 1 +ATOM 1648 N NE1 . TRP A 1 243 ? 22.193 88.223 -45.840 1.00 116.03 ? 244 TRP A NE1 1 +ATOM 1649 C CE2 . TRP A 1 243 ? 21.022 87.524 -45.698 1.00 118.41 ? 244 TRP A CE2 1 +ATOM 1650 C CE3 . TRP A 1 243 ? 19.582 86.772 -43.906 1.00 120.69 ? 244 TRP A CE3 1 +ATOM 1651 C CZ2 . TRP A 1 243 ? 20.193 86.942 -46.661 1.00 120.55 ? 244 TRP A CZ2 1 +ATOM 1652 C CZ3 . TRP A 1 243 ? 18.761 86.203 -44.860 1.00 121.20 ? 244 TRP A CZ3 1 +ATOM 1653 C CH2 . TRP A 1 243 ? 19.065 86.287 -46.220 1.00 119.32 ? 244 TRP A CH2 1 +ATOM 1654 N N . ARG A 1 244 ? 21.390 85.713 -40.946 1.00 88.89 ? 245 ARG A N 1 +ATOM 1655 C CA . ARG A 1 244 ? 20.932 84.370 -40.478 1.00 85.83 ? 245 ARG A CA 1 +ATOM 1656 C C . ARG A 1 244 ? 19.448 84.203 -40.811 1.00 82.76 ? 245 ARG A C 1 +ATOM 1657 O O . ARG A 1 244 ? 18.688 85.154 -40.654 1.00 76.66 ? 245 ARG A O 1 +ATOM 1658 C CB . ARG A 1 244 ? 21.208 84.262 -38.966 1.00 85.14 ? 245 ARG A CB 1 +ATOM 1659 C CG . ARG A 1 244 ? 20.978 82.886 -38.357 1.00 83.44 ? 245 ARG A CG 1 +ATOM 1660 C CD . ARG A 1 244 ? 20.651 82.944 -36.883 1.00 79.52 ? 245 ARG A CD 1 +ATOM 1661 N NE . ARG A 1 244 ? 20.420 81.620 -36.303 1.00 79.73 ? 245 ARG A NE 1 +ATOM 1662 C CZ . ARG A 1 244 ? 20.077 81.391 -35.027 1.00 76.15 ? 245 ARG A CZ 1 +ATOM 1663 N NH1 . ARG A 1 244 ? 19.917 82.393 -34.177 1.00 73.71 ? 245 ARG A NH1 1 +ATOM 1664 N NH2 . ARG A 1 244 ? 19.895 80.155 -34.604 1.00 73.56 ? 245 ARG A NH2 1 +ATOM 1665 N N . PRO A 1 245 ? 19.012 83.033 -41.330 1.00 86.69 ? 246 PRO A N 1 +ATOM 1666 C CA . PRO A 1 245 ? 17.615 82.834 -41.745 1.00 88.30 ? 246 PRO A CA 1 +ATOM 1667 C C . PRO A 1 245 ? 16.565 83.016 -40.638 1.00 85.79 ? 246 PRO A C 1 +ATOM 1668 O O . PRO A 1 245 ? 16.914 82.920 -39.475 1.00 85.85 ? 246 PRO A O 1 +ATOM 1669 C CB . PRO A 1 245 ? 17.589 81.385 -42.261 1.00 88.39 ? 246 PRO A CB 1 +ATOM 1670 C CG . PRO A 1 245 ? 18.791 80.733 -41.613 1.00 89.03 ? 246 PRO A CG 1 +ATOM 1671 C CD . PRO A 1 245 ? 19.827 81.834 -41.528 1.00 89.56 ? 246 PRO A CD 1 +ATOM 1672 N N . ALA A 1 246 ? 15.312 83.271 -41.037 1.00 85.41 ? 247 ALA A N 1 +ATOM 1673 C CA . ALA A 1 246 ? 14.188 83.436 -40.084 1.00 83.71 ? 247 ALA A CA 1 +ATOM 1674 C C . ALA A 1 246 ? 14.140 82.197 -39.185 1.00 81.13 ? 247 ALA A C 1 +ATOM 1675 O O . ALA A 1 246 ? 14.171 81.073 -39.727 1.00 82.02 ? 247 ALA A O 1 +ATOM 1676 C CB . ALA A 1 246 ? 12.896 83.624 -40.839 1.00 88.18 ? 247 ALA A CB 1 +ATOM 1677 N N . GLN A 1 247 ? 14.034 82.389 -37.867 1.00 76.69 ? 248 GLN A N 1 +ATOM 1678 C CA . GLN A 1 247 ? 14.079 81.226 -36.968 1.00 74.64 ? 248 GLN A CA 1 +ATOM 1679 C C . GLN A 1 247 ? 12.652 80.904 -36.577 1.00 76.01 ? 248 GLN A C 1 +ATOM 1680 O O . GLN A 1 247 ? 11.765 81.739 -36.693 1.00 74.52 ? 248 GLN A O 1 +ATOM 1681 C CB . GLN A 1 247 ? 14.946 81.560 -35.758 1.00 72.19 ? 248 GLN A CB 1 +ATOM 1682 C CG . GLN A 1 247 ? 16.416 81.717 -36.104 1.00 69.69 ? 248 GLN A CG 1 +ATOM 1683 C CD . GLN A 1 247 ? 16.928 80.429 -36.688 1.00 68.58 ? 248 GLN A CD 1 +ATOM 1684 O OE1 . GLN A 1 247 ? 16.447 79.363 -36.330 1.00 69.87 ? 248 GLN A OE1 1 +ATOM 1685 N NE2 . GLN A 1 247 ? 17.888 80.515 -37.592 1.00 67.98 ? 248 GLN A NE2 1 +ATOM 1686 N N . PRO A 1 248 ? 12.391 79.677 -36.101 1.00 80.24 ? 249 PRO A N 1 +ATOM 1687 C CA . PRO A 1 248 ? 11.041 79.320 -35.673 1.00 84.15 ? 249 PRO A CA 1 +ATOM 1688 C C . PRO A 1 248 ? 10.593 80.217 -34.504 1.00 86.28 ? 249 PRO A C 1 +ATOM 1689 O O . PRO A 1 248 ? 11.352 80.410 -33.558 1.00 87.54 ? 249 PRO A O 1 +ATOM 1690 C CB . PRO A 1 248 ? 11.155 77.846 -35.251 1.00 83.97 ? 249 PRO A CB 1 +ATOM 1691 C CG . PRO A 1 248 ? 12.505 77.369 -35.799 1.00 83.47 ? 249 PRO A CG 1 +ATOM 1692 C CD . PRO A 1 248 ? 13.375 78.598 -35.937 1.00 79.91 ? 249 PRO A CD 1 +ATOM 1693 N N . LEU A 1 249 ? 9.374 80.744 -34.585 1.00 87.66 ? 250 LEU A N 1 +ATOM 1694 C CA . LEU A 1 249 ? 8.794 81.638 -33.550 1.00 86.14 ? 250 LEU A CA 1 +ATOM 1695 C C . LEU A 1 249 ? 8.409 80.836 -32.300 1.00 83.72 ? 250 LEU A C 1 +ATOM 1696 O O . LEU A 1 249 ? 8.317 81.452 -31.232 1.00 81.09 ? 250 LEU A O 1 +ATOM 1697 C CB . LEU A 1 249 ? 7.579 82.346 -34.153 1.00 90.20 ? 250 LEU A CB 1 +ATOM 1698 C CG . LEU A 1 249 ? 6.918 83.400 -33.272 1.00 91.20 ? 250 LEU A CG 1 +ATOM 1699 C CD1 . LEU A 1 249 ? 7.958 84.354 -32.706 1.00 90.22 ? 250 LEU A CD1 1 +ATOM 1700 C CD2 . LEU A 1 249 ? 5.847 84.155 -34.057 1.00 93.85 ? 250 LEU A CD2 1 +ATOM 1701 N N . LYS A 1 250 ? 8.174 79.525 -32.437 1.00 85.25 ? 251 LYS A N 1 +ATOM 1702 C CA . LYS A 1 250 ? 7.805 78.597 -31.329 1.00 86.80 ? 251 LYS A CA 1 +ATOM 1703 C C . LYS A 1 250 ? 6.654 79.219 -30.519 1.00 90.73 ? 251 LYS A C 1 +ATOM 1704 O O . LYS A 1 250 ? 5.662 79.654 -31.157 1.00 92.08 ? 251 LYS A O 1 +ATOM 1705 C CB . LYS A 1 250 ? 9.027 78.259 -30.465 1.00 86.18 ? 251 LYS A CB 1 +ATOM 1706 C CG . LYS A 1 250 ? 10.251 77.750 -31.215 1.00 85.68 ? 251 LYS A CG 1 +ATOM 1707 C CD . LYS A 1 250 ? 10.381 76.242 -31.307 1.00 87.21 ? 251 LYS A CD 1 +ATOM 1708 C CE . LYS A 1 250 ? 11.793 75.794 -31.642 1.00 87.46 ? 251 LYS A CE 1 +ATOM 1709 N NZ . LYS A 1 250 ? 12.014 74.353 -31.373 1.00 87.51 ? 251 LYS A NZ 1 +ATOM 1710 N N . ASN A 1 251 ? 6.760 79.270 -29.180 1.00 92.10 ? 252 ASN A N 1 +ATOM 1711 C CA . ASN A 1 251 ? 5.632 79.647 -28.278 1.00 93.63 ? 252 ASN A CA 1 +ATOM 1712 C C . ASN A 1 251 ? 5.475 81.182 -28.281 1.00 91.13 ? 252 ASN A C 1 +ATOM 1713 O O . ASN A 1 251 ? 4.379 81.665 -27.937 1.00 96.68 ? 252 ASN A O 1 +ATOM 1714 C CB . ASN A 1 251 ? 5.788 79.029 -26.875 1.00 91.44 ? 252 ASN A CB 1 +ATOM 1715 N N . ARG A 1 252 ? 6.493 81.919 -28.731 1.00 85.28 ? 253 ARG A N 1 +ATOM 1716 C CA . ARG A 1 252 ? 6.667 83.371 -28.450 1.00 81.74 ? 253 ARG A CA 1 +ATOM 1717 C C . ARG A 1 252 ? 5.637 84.232 -29.186 1.00 81.08 ? 253 ARG A C 1 +ATOM 1718 O O . ARG A 1 252 ? 5.430 84.010 -30.387 1.00 80.51 ? 253 ARG A O 1 +ATOM 1719 C CB . ARG A 1 252 ? 8.063 83.839 -28.865 1.00 76.96 ? 253 ARG A CB 1 +ATOM 1720 C CG . ARG A 1 252 ? 9.190 83.176 -28.084 1.00 72.71 ? 253 ARG A CG 1 +ATOM 1721 C CD . ARG A 1 252 ? 10.516 83.542 -28.715 1.00 67.93 ? 253 ARG A CD 1 +ATOM 1722 N NE . ARG A 1 252 ? 10.727 82.963 -30.032 1.00 64.53 ? 253 ARG A NE 1 +ATOM 1723 C CZ . ARG A 1 252 ? 11.792 83.189 -30.787 1.00 61.51 ? 253 ARG A CZ 1 +ATOM 1724 N NH1 . ARG A 1 252 ? 12.756 83.977 -30.367 1.00 60.17 ? 253 ARG A NH1 1 +ATOM 1725 N NH2 . ARG A 1 252 ? 11.916 82.612 -31.964 1.00 64.30 ? 253 ARG A NH2 1 +ATOM 1726 N N . GLN A 1 253 ? 5.085 85.217 -28.466 1.00 83.53 ? 254 GLN A N 1 +ATOM 1727 C CA . GLN A 1 253 ? 4.302 86.369 -28.991 1.00 83.41 ? 254 GLN A CA 1 +ATOM 1728 C C . GLN A 1 253 ? 5.250 87.528 -29.337 1.00 78.84 ? 254 GLN A C 1 +ATOM 1729 O O . GLN A 1 253 ? 6.161 87.855 -28.531 1.00 73.76 ? 254 GLN A O 1 +ATOM 1730 C CB . GLN A 1 253 ? 3.296 86.875 -27.953 1.00 86.70 ? 254 GLN A CB 1 +ATOM 1731 C CG . GLN A 1 253 ? 2.336 85.812 -27.446 1.00 90.95 ? 254 GLN A CG 1 +ATOM 1732 C CD . GLN A 1 253 ? 1.191 85.574 -28.395 1.00 93.89 ? 254 GLN A CD 1 +ATOM 1733 O OE1 . GLN A 1 253 ? 0.677 86.493 -29.027 1.00 97.30 ? 254 GLN A OE1 1 +ATOM 1734 N NE2 . GLN A 1 253 ? 0.770 84.325 -28.483 1.00 98.19 ? 254 GLN A NE2 1 +ATOM 1735 N N . ILE A 1 254 ? 5.022 88.149 -30.490 1.00 75.92 ? 255 ILE A N 1 +ATOM 1736 C CA . ILE A 1 254 ? 5.596 89.473 -30.840 1.00 74.23 ? 255 ILE A CA 1 +ATOM 1737 C C . ILE A 1 254 ? 4.572 90.567 -30.510 1.00 74.73 ? 255 ILE A C 1 +ATOM 1738 O O . ILE A 1 254 ? 3.463 90.515 -31.078 1.00 81.34 ? 255 ILE A O 1 +ATOM 1739 C CB . ILE A 1 254 ? 5.981 89.456 -32.316 1.00 73.23 ? 255 ILE A CB 1 +ATOM 1740 C CG1 . ILE A 1 254 ? 6.918 88.276 -32.584 1.00 72.86 ? 255 ILE A CG1 1 +ATOM 1741 C CG2 . ILE A 1 254 ? 6.560 90.804 -32.705 1.00 72.61 ? 255 ILE A CG2 1 +ATOM 1742 C CD1 . ILE A 1 254 ? 7.696 88.360 -33.898 1.00 74.23 ? 255 ILE A CD1 1 +ATOM 1743 N N . LYS A 1 255 ? 4.922 91.499 -29.616 1.00 71.83 ? 256 LYS A N 1 +ATOM 1744 C CA . LYS A 1 255 ? 4.055 92.629 -29.190 1.00 71.97 ? 256 LYS A CA 1 +ATOM 1745 C C . LYS A 1 255 ? 4.421 93.834 -30.049 1.00 69.32 ? 256 LYS A C 1 +ATOM 1746 O O . LYS A 1 255 ? 5.516 93.839 -30.614 1.00 70.41 ? 256 LYS A O 1 +ATOM 1747 C CB . LYS A 1 255 ? 4.250 92.945 -27.706 1.00 73.97 ? 256 LYS A CB 1 +ATOM 1748 C CG . LYS A 1 255 ? 4.027 91.776 -26.760 1.00 79.39 ? 256 LYS A CG 1 +ATOM 1749 C CD . LYS A 1 255 ? 4.581 92.024 -25.356 1.00 84.42 ? 256 LYS A CD 1 +ATOM 1750 C CE . LYS A 1 255 ? 3.800 91.312 -24.261 1.00 89.05 ? 256 LYS A CE 1 +ATOM 1751 N NZ . LYS A 1 255 ? 3.725 92.105 -23.005 1.00 90.78 ? 256 LYS A NZ 1 +ATOM 1752 N N . ALA A 1 256 ? 3.548 94.823 -30.155 1.00 67.50 ? 257 ALA A N 1 +ATOM 1753 C CA . ALA A 1 256 ? 3.798 95.998 -31.014 1.00 67.72 ? 257 ALA A CA 1 +ATOM 1754 C C . ALA A 1 256 ? 3.378 97.256 -30.265 1.00 65.85 ? 257 ALA A C 1 +ATOM 1755 O O . ALA A 1 256 ? 2.315 97.229 -29.639 1.00 64.66 ? 257 ALA A O 1 +ATOM 1756 C CB . ALA A 1 256 ? 3.074 95.855 -32.335 1.00 69.23 ? 257 ALA A CB 1 +ATOM 1757 N N . SER A 1 257 ? 4.187 98.313 -30.350 1.00 64.81 ? 258 SER A N 1 +ATOM 1758 C CA . SER A 1 257 ? 3.982 99.569 -29.594 1.00 65.86 ? 258 SER A CA 1 +ATOM 1759 C C . SER A 1 257 ? 2.940 100.453 -30.288 1.00 69.49 ? 258 SER A C 1 +ATOM 1760 O O . SER A 1 257 ? 2.611 101.491 -29.716 1.00 69.76 ? 258 SER A O 1 +ATOM 1761 C CB . SER A 1 257 ? 5.270 100.290 -29.419 1.00 64.22 ? 258 SER A CB 1 +ATOM 1762 O OG . SER A 1 257 ? 5.717 100.782 -30.669 1.00 65.36 ? 258 SER A OG 1 +ATOM 1763 N N . PHE A 1 258 ? 2.420 100.071 -31.461 1.00 74.35 ? 259 PHE A N 1 +ATOM 1764 C CA . PHE A 1 258 ? 1.579 100.975 -32.282 1.00 77.16 ? 259 PHE A CA 1 +ATOM 1765 C C . PHE A 1 258 ? 0.266 100.313 -32.744 1.00 83.56 ? 259 PHE A C 1 +ATOM 1766 O O . PHE A 1 258 ? 0.245 99.144 -33.252 1.00 81.61 ? 259 PHE A O 1 +ATOM 1767 C CB . PHE A 1 258 ? 2.425 101.525 -33.424 1.00 77.82 ? 259 PHE A CB 1 +ATOM 1768 C CG . PHE A 1 258 ? 2.867 100.492 -34.418 1.00 79.04 ? 259 PHE A CG 1 +ATOM 1769 C CD1 . PHE A 1 258 ? 2.024 100.105 -35.445 1.00 81.24 ? 259 PHE A CD1 1 +ATOM 1770 C CD2 . PHE A 1 258 ? 4.116 99.919 -34.324 1.00 79.29 ? 259 PHE A CD2 1 +ATOM 1771 C CE1 . PHE A 1 258 ? 2.426 99.166 -36.374 1.00 81.89 ? 259 PHE A CE1 1 +ATOM 1772 C CE2 . PHE A 1 258 ? 4.517 98.979 -35.255 1.00 81.65 ? 259 PHE A CE2 1 +ATOM 1773 C CZ . PHE A 1 258 ? 3.676 98.612 -36.283 1.00 82.18 ? 259 PHE A CZ 1 +ATOM 1774 N N . LYS A 1 259 ? -0.802 101.115 -32.581 1.00 89.60 ? 260 LYS A N 1 +ATOM 1775 C CA . LYS A 1 259 ? -2.246 100.827 -32.808 1.00 94.04 ? 260 LYS A CA 1 +ATOM 1776 C C . LYS A 1 259 ? -2.678 101.502 -34.116 1.00 96.05 ? 260 LYS A C 1 +ATOM 1777 O O . LYS A 1 259 ? -1.805 101.983 -34.849 1.00 97.46 ? 260 LYS A O 1 +ATOM 1778 C CB . LYS A 1 259 ? -3.072 101.359 -31.626 1.00 94.70 ? 260 LYS A CB 1 +HETATM 1779 O OAA . 4SO B 2 1 ? 22.797 92.139 -31.783 1.00 47.92 ? 301 4SO B OAA 1 +HETATM 1780 O OAB . 4SO B 2 1 ? 28.324 90.572 -27.953 1.00 59.35 ? 301 4SO B OAB 1 +HETATM 1781 C CAC . 4SO B 2 1 ? 26.575 89.007 -30.632 1.00 55.71 ? 301 4SO B CAC 1 +HETATM 1782 C CAD . 4SO B 2 1 ? 25.411 89.233 -31.353 1.00 55.28 ? 301 4SO B CAD 1 +HETATM 1783 C CAE . 4SO B 2 1 ? 24.671 90.383 -31.182 1.00 52.48 ? 301 4SO B CAE 1 +HETATM 1784 S SAF . 4SO B 2 1 ? 23.281 90.715 -32.069 1.00 49.70 ? 301 4SO B SAF 1 +HETATM 1785 N NAG . 4SO B 2 1 ? 23.766 90.508 -33.629 1.00 53.54 ? 301 4SO B NAG 1 +HETATM 1786 C CAH . 4SO B 2 1 ? 28.137 89.786 -28.896 1.00 57.70 ? 301 4SO B CAH 1 +HETATM 1787 C CAI . 4SO B 2 1 ? 27.001 89.915 -29.694 1.00 56.14 ? 301 4SO B CAI 1 +HETATM 1788 C CAJ . 4SO B 2 1 ? 26.247 91.049 -29.525 1.00 56.48 ? 301 4SO B CAJ 1 +HETATM 1789 C CAK . 4SO B 2 1 ? 25.109 91.292 -30.281 1.00 55.04 ? 301 4SO B CAK 1 +HETATM 1790 O OAL . 4SO B 2 1 ? 22.178 89.673 -31.974 1.00 46.67 ? 301 4SO B OAL 1 +HETATM 1791 O O . A1IJ4 B 2 2 ? 35.639 84.387 -27.245 1.00 63.24 ? 302 A1IJ4 B O 1 +HETATM 1792 C C . A1IJ4 B 2 2 ? 36.137 84.134 -26.147 1.00 61.88 ? 302 A1IJ4 B C 1 +HETATM 1793 C C118 . A1IJ4 B 2 2 ? 35.449 86.337 -25.207 1.00 58.60 ? 302 A1IJ4 B C118 1 +HETATM 1794 C C119 . A1IJ4 B 2 2 ? 35.464 86.990 -23.823 1.00 57.90 ? 302 A1IJ4 B C119 1 +HETATM 1795 C C120 . A1IJ4 B 2 2 ? 34.767 88.385 -23.874 1.00 56.72 ? 302 A1IJ4 B C120 1 +HETATM 1796 C C121 . A1IJ4 B 2 2 ? 33.282 88.236 -23.619 1.00 56.34 ? 302 A1IJ4 B C121 1 +HETATM 1797 C C122 . A1IJ4 B 2 2 ? 31.530 87.925 -25.252 1.00 53.51 ? 302 A1IJ4 B C122 1 +HETATM 1798 C C123 . A1IJ4 B 2 2 ? 30.539 87.350 -24.537 1.00 52.80 ? 302 A1IJ4 B C123 1 +HETATM 1799 N N31 . A1IJ4 B 2 2 ? 36.122 85.033 -25.114 1.00 60.27 ? 302 A1IJ4 B N31 1 +HETATM 1800 O O71 . A1IJ4 B 2 2 ? 32.798 88.185 -24.904 1.00 55.21 ? 302 A1IJ4 B O71 1 +HETATM 1801 C C124 . A1IJ4 B 2 2 ? 31.308 88.285 -26.548 1.00 54.25 ? 302 A1IJ4 B C124 1 +HETATM 1802 C C125 . A1IJ4 B 2 2 ? 29.303 87.173 -25.199 1.00 54.04 ? 302 A1IJ4 B C125 1 +HETATM 1803 C C126 . A1IJ4 B 2 2 ? 29.080 87.540 -26.537 1.00 54.17 ? 302 A1IJ4 B C126 1 +HETATM 1804 C C127 . A1IJ4 B 2 2 ? 30.136 88.141 -27.206 1.00 54.15 ? 302 A1IJ4 B C127 1 +HETATM 1805 C C128 . A1IJ4 B 2 2 ? 30.217 88.594 -28.500 1.00 55.84 ? 302 A1IJ4 B C128 1 +HETATM 1806 N N . A1IJ4 B 2 2 ? 28.968 88.781 -29.202 1.00 57.27 ? 302 A1IJ4 B N 1 +HETATM 1807 C C2 . QUJ B 2 3 ? 37.051 82.010 -26.763 1.00 60.03 ? 303 QUJ B C2 1 +HETATM 1808 C C3 . QUJ B 2 3 ? 36.875 82.033 -28.171 1.00 58.97 ? 303 QUJ B C3 1 +HETATM 1809 C C4 . QUJ B 2 3 ? 37.356 80.937 -28.885 1.00 59.16 ? 303 QUJ B C4 1 +HETATM 1810 C C5 . QUJ B 2 3 ? 38.004 79.874 -28.230 1.00 59.01 ? 303 QUJ B C5 1 +HETATM 1811 C C6 . QUJ B 2 3 ? 38.154 79.873 -26.857 1.00 59.91 ? 303 QUJ B C6 1 +HETATM 1812 C C8 . QUJ B 2 3 ? 38.778 78.825 -26.165 1.00 64.73 ? 303 QUJ B C8 1 +HETATM 1813 C C9 . QUJ B 2 3 ? 38.936 78.867 -24.767 1.00 63.51 ? 303 QUJ B C9 1 +HETATM 1814 C CA . QUJ B 2 3 ? 38.455 79.987 -24.096 1.00 59.75 ? 303 QUJ B CA 1 +HETATM 1815 O O . QUJ B 2 3 ? 39.228 79.224 -22.069 1.00 58.39 ? 303 QUJ B O 1 +HETATM 1816 C C . QUJ B 2 3 ? 38.551 80.035 -22.712 1.00 57.84 ? 303 QUJ B C 1 +HETATM 1817 N N11 . QUJ B 2 3 ? 37.833 80.987 -24.789 1.00 55.85 ? 303 QUJ B N11 1 +HETATM 1818 C C7 . QUJ B 2 3 ? 37.696 80.941 -26.121 1.00 58.45 ? 303 QUJ B C7 1 +HETATM 1819 N N . QUJ B 2 3 ? 36.691 82.941 -25.865 1.00 61.47 ? 303 QUJ B N 1 +HETATM 1820 O OB . QUJ B 2 3 ? 39.266 77.777 -26.914 1.00 72.49 ? 303 QUJ B OB 1 +HETATM 1821 C CG . QUJ B 2 3 ? 38.887 76.427 -26.474 1.00 75.90 ? 303 QUJ B CG 1 +HETATM 1822 C CD . QUJ B 2 3 ? 40.026 75.556 -26.923 1.00 77.06 ? 303 QUJ B CD 1 +HETATM 1823 C CE2 . QUJ B 2 3 ? 40.203 75.724 -28.450 1.00 77.27 ? 303 QUJ B CE2 1 +HETATM 1824 C CE1 . QUJ B 2 3 ? 39.680 74.118 -26.510 1.00 78.47 ? 303 QUJ B CE1 1 +HETATM 1825 O O . ZY9 B 2 4 ? 33.034 84.650 -21.993 1.00 53.08 ? 304 ZY9 B O 1 +HETATM 1826 C C . ZY9 B 2 4 ? 33.833 83.722 -22.159 1.00 53.45 ? 304 ZY9 B C 1 +HETATM 1827 C CA . ZY9 B 2 4 ? 34.779 83.406 -21.167 1.00 53.17 ? 304 ZY9 B CA 1 +HETATM 1828 N N11 . ZY9 B 2 4 ? 35.798 82.513 -21.425 1.00 52.52 ? 304 ZY9 B N11 1 +HETATM 1829 C C9 . ZY9 B 2 4 ? 34.707 84.061 -19.934 1.00 52.56 ? 304 ZY9 B C9 1 +HETATM 1830 C C8 . ZY9 B 2 4 ? 35.632 83.733 -18.983 1.00 53.19 ? 304 ZY9 B C8 1 +HETATM 1831 C C6 . ZY9 B 2 4 ? 36.611 82.783 -19.260 1.00 54.04 ? 304 ZY9 B C6 1 +HETATM 1832 C C7 . ZY9 B 2 4 ? 36.680 82.144 -20.490 1.00 53.55 ? 304 ZY9 B C7 1 +HETATM 1833 C C2 . ZY9 B 2 4 ? 37.697 81.179 -20.679 1.00 55.03 ? 304 ZY9 B C2 1 +HETATM 1834 N N . ZY9 B 2 4 ? 37.807 80.991 -22.139 1.00 55.74 ? 304 ZY9 B N 1 +HETATM 1835 O OB . QVS B 2 5 ? 32.539 81.184 -28.726 1.00 58.94 ? 305 QVS B OB 1 +HETATM 1836 C C8 . QVS B 2 5 ? 33.108 81.035 -27.486 1.00 56.56 ? 305 QVS B C8 1 +HETATM 1837 C C9 . QVS B 2 5 ? 33.856 79.908 -27.098 1.00 56.35 ? 305 QVS B C9 1 +HETATM 1838 C CA . QVS B 2 5 ? 34.359 79.870 -25.805 1.00 56.89 ? 305 QVS B CA 1 +HETATM 1839 C C . QVS B 2 5 ? 35.079 78.772 -25.271 1.00 57.80 ? 305 QVS B C 1 +HETATM 1840 O O . QVS B 2 5 ? 35.583 77.890 -25.987 1.00 57.81 ? 305 QVS B O 1 +HETATM 1841 N N11 . QVS B 2 5 ? 34.134 80.934 -24.978 1.00 56.78 ? 305 QVS B N11 1 +HETATM 1842 C C7 . QVS B 2 5 ? 33.415 82.026 -25.330 1.00 55.53 ? 305 QVS B C7 1 +HETATM 1843 C C6 . QVS B 2 5 ? 32.889 82.088 -26.617 1.00 55.71 ? 305 QVS B C6 1 +HETATM 1844 C C5 . QVS B 2 5 ? 32.142 83.172 -27.027 1.00 54.10 ? 305 QVS B C5 1 +HETATM 1845 C C4 . QVS B 2 5 ? 31.951 84.185 -26.101 1.00 55.14 ? 305 QVS B C4 1 +HETATM 1846 C C3 . QVS B 2 5 ? 32.479 84.168 -24.811 1.00 54.43 ? 305 QVS B C3 1 +HETATM 1847 C C2 . QVS B 2 5 ? 33.181 83.043 -24.408 1.00 54.47 ? 305 QVS B C2 1 +HETATM 1848 N N . QVS B 2 5 ? 33.843 82.913 -23.248 1.00 55.06 ? 305 QVS B N 1 +HETATM 1849 O O . QUK B 2 6 ? 33.508 80.875 -18.577 1.00 60.25 ? 306 QUK B O 1 +HETATM 1850 C C . QUK B 2 6 ? 33.573 80.371 -19.739 1.00 59.09 ? 306 QUK B C 1 +HETATM 1851 C C10 . QUK B 2 6 ? 34.539 79.358 -20.062 1.00 59.41 ? 306 QUK B C10 1 +HETATM 1852 N N11 . QUK B 2 6 ? 34.840 79.079 -21.353 1.00 59.09 ? 306 QUK B N11 1 +HETATM 1853 C C7 . QUK B 2 6 ? 35.676 78.133 -21.748 1.00 59.08 ? 306 QUK B C7 1 +HETATM 1854 C CA . QUK B 2 6 ? 35.854 77.932 -23.104 1.00 59.04 ? 306 QUK B CA 1 +HETATM 1855 N N . QUK B 2 6 ? 35.144 78.757 -23.907 1.00 57.59 ? 306 QUK B N 1 +HETATM 1856 C C9 . QUK B 2 6 ? 35.209 78.653 -19.080 1.00 60.30 ? 306 QUK B C9 1 +HETATM 1857 C C8 . QUK B 2 6 ? 36.072 77.617 -19.468 1.00 61.43 ? 306 QUK B C8 1 +HETATM 1858 C C6 . QUK B 2 6 ? 36.234 77.342 -20.811 1.00 60.16 ? 306 QUK B C6 1 +HETATM 1859 C C5 . QUK B 2 6 ? 37.068 76.322 -21.239 1.00 61.54 ? 306 QUK B C5 1 +HETATM 1860 C C4 . QUK B 2 6 ? 37.259 76.078 -22.600 1.00 60.92 ? 306 QUK B C4 1 +HETATM 1861 C C3 . QUK B 2 6 ? 36.621 76.900 -23.539 1.00 59.95 ? 306 QUK B C3 1 +HETATM 1862 O OB . QUK B 2 6 ? 36.680 76.841 -18.522 1.00 64.27 ? 306 QUK B OB 1 +HETATM 1863 C CG . QUK B 2 6 ? 36.384 77.041 -17.075 1.00 65.87 ? 306 QUK B CG 1 +HETATM 1864 C CD . QUK B 2 6 ? 37.100 76.063 -16.144 1.00 67.85 ? 306 QUK B CD 1 +HETATM 1865 C CE . QUK B 2 6 ? 38.122 75.283 -16.977 1.00 70.70 ? 306 QUK B CE 1 +HETATM 1866 N N1 . QUK B 2 6 ? 37.583 73.948 -17.294 1.00 71.39 ? 306 QUK B N1 1 +HETATM 1867 O O . ZY9 B 2 7 ? 30.190 79.856 -26.047 1.00 53.34 ? 307 ZY9 B O 1 +HETATM 1868 C C . ZY9 B 2 7 ? 30.695 79.816 -24.900 1.00 57.52 ? 307 ZY9 B C 1 +HETATM 1869 C CA . ZY9 B 2 7 ? 30.486 80.880 -23.949 1.00 57.40 ? 307 ZY9 B CA 1 +HETATM 1870 N N11 . ZY9 B 2 7 ? 31.098 80.810 -22.724 1.00 58.40 ? 307 ZY9 B N11 1 +HETATM 1871 C C9 . ZY9 B 2 7 ? 29.698 82.043 -24.222 1.00 58.31 ? 307 ZY9 B C9 1 +HETATM 1872 C C8 . ZY9 B 2 7 ? 29.526 83.069 -23.267 1.00 55.91 ? 307 ZY9 B C8 1 +HETATM 1873 C C6 . ZY9 B 2 7 ? 30.170 82.928 -22.022 1.00 56.84 ? 307 ZY9 B C6 1 +HETATM 1874 C C7 . ZY9 B 2 7 ? 30.979 81.798 -21.768 1.00 57.23 ? 307 ZY9 B C7 1 +HETATM 1875 C C2 . ZY9 B 2 7 ? 31.602 81.695 -20.552 1.00 56.21 ? 307 ZY9 B C2 1 +HETATM 1876 N N . ZY9 B 2 7 ? 32.693 80.692 -20.719 1.00 56.54 ? 307 ZY9 B N 1 +HETATM 1877 O O . QVE B 2 8 ? 33.566 75.544 -19.852 1.00 60.60 ? 308 QVE B O 1 +HETATM 1878 C C . QVE B 2 8 ? 32.937 76.185 -20.665 1.00 60.59 ? 308 QVE B C 1 +HETATM 1879 C CA . QVE B 2 8 ? 33.016 75.968 -22.052 1.00 60.51 ? 308 QVE B CA 1 +HETATM 1880 N N11 . QVE B 2 8 ? 32.509 76.883 -22.910 1.00 57.93 ? 308 QVE B N11 1 +HETATM 1881 C C7 . QVE B 2 8 ? 32.542 76.693 -24.235 1.00 58.88 ? 308 QVE B C7 1 +HETATM 1882 C C2 . QVE B 2 8 ? 31.939 77.630 -25.088 1.00 58.69 ? 308 QVE B C2 1 +HETATM 1883 N N . QVE B 2 8 ? 31.460 78.753 -24.416 1.00 60.65 ? 308 QVE B N 1 +HETATM 1884 C C9 . QVE B 2 8 ? 33.567 74.801 -22.543 1.00 61.54 ? 308 QVE B C9 1 +HETATM 1885 C C8 . QVE B 2 8 ? 33.611 74.608 -23.905 1.00 61.90 ? 308 QVE B C8 1 +HETATM 1886 O OB . QVE B 2 8 ? 34.105 73.494 -24.438 1.00 67.95 ? 308 QVE B OB 1 +HETATM 1887 C CG . QVE B 2 8 ? 35.492 73.588 -24.522 1.00 75.52 ? 308 QVE B CG 1 +HETATM 1888 C CD . QVE B 2 8 ? 35.887 72.257 -23.902 1.00 80.80 ? 308 QVE B CD 1 +HETATM 1889 O OE2 . QVE B 2 8 ? 34.959 71.388 -23.867 1.00 81.31 ? 308 QVE B OE2 1 +HETATM 1890 O OE1 . QVE B 2 8 ? 37.103 72.149 -23.451 1.00 86.88 ? 308 QVE B OE1 1 +HETATM 1891 C C6 . QVE B 2 8 ? 33.117 75.541 -24.777 1.00 60.12 ? 308 QVE B C6 1 +HETATM 1892 C C5 . QVE B 2 8 ? 33.105 75.361 -26.160 1.00 59.12 ? 308 QVE B C5 1 +HETATM 1893 C C4 . QVE B 2 8 ? 32.526 76.297 -27.024 1.00 57.46 ? 308 QVE B C4 1 +HETATM 1894 C C3 . QVE B 2 8 ? 31.963 77.433 -26.475 1.00 57.56 ? 308 QVE B C3 1 +HETATM 1895 O O . ZY9 B 2 9 ? 27.463 80.643 -21.712 1.00 57.63 ? 309 ZY9 B O 1 +HETATM 1896 C C . ZY9 B 2 9 ? 28.229 79.680 -21.523 1.00 60.40 ? 309 ZY9 B C 1 +HETATM 1897 C CA . ZY9 B 2 9 ? 28.941 79.536 -20.295 1.00 60.15 ? 309 ZY9 B CA 1 +HETATM 1898 N N11 . ZY9 B 2 9 ? 30.036 78.708 -20.186 1.00 59.55 ? 309 ZY9 B N11 1 +HETATM 1899 C C9 . ZY9 B 2 9 ? 28.475 80.208 -19.132 1.00 59.09 ? 309 ZY9 B C9 1 +HETATM 1900 C C8 . ZY9 B 2 9 ? 29.113 80.051 -17.923 1.00 57.54 ? 309 ZY9 B C8 1 +HETATM 1901 C C6 . ZY9 B 2 9 ? 30.202 79.178 -17.886 1.00 57.74 ? 309 ZY9 B C6 1 +HETATM 1902 C C7 . ZY9 B 2 9 ? 30.665 78.492 -19.012 1.00 57.93 ? 309 ZY9 B C7 1 +HETATM 1903 C C2 . ZY9 B 2 9 ? 31.760 77.624 -18.912 1.00 58.52 ? 309 ZY9 B C2 1 +HETATM 1904 N N . ZY9 B 2 9 ? 32.049 77.183 -20.301 1.00 59.09 ? 309 ZY9 B N 1 +HETATM 1905 O O . ZY9 B 2 10 ? 30.497 73.428 -23.601 1.00 65.70 ? 310 ZY9 B O 1 +HETATM 1906 C C . ZY9 B 2 10 ? 29.914 74.409 -23.184 1.00 64.73 ? 310 ZY9 B C 1 +HETATM 1907 C CA . ZY9 B 2 10 ? 29.405 75.274 -24.082 1.00 64.19 ? 310 ZY9 B CA 1 +HETATM 1908 N N11 . ZY9 B 2 10 ? 28.880 76.416 -23.568 1.00 64.31 ? 310 ZY9 B N11 1 +HETATM 1909 C C9 . ZY9 B 2 10 ? 29.457 75.042 -25.471 1.00 64.61 ? 310 ZY9 B C9 1 +HETATM 1910 C C8 . ZY9 B 2 10 ? 28.830 75.994 -26.338 1.00 64.64 ? 310 ZY9 B C8 1 +HETATM 1911 C C6 . ZY9 B 2 10 ? 28.208 77.184 -25.766 1.00 65.81 ? 310 ZY9 B C6 1 +HETATM 1912 C C7 . ZY9 B 2 10 ? 28.233 77.374 -24.356 1.00 64.19 ? 310 ZY9 B C7 1 +HETATM 1913 C C2 . ZY9 B 2 10 ? 27.725 78.529 -23.760 1.00 62.72 ? 310 ZY9 B C2 1 +HETATM 1914 N N . ZY9 B 2 10 ? 28.396 78.671 -22.420 1.00 63.30 ? 310 ZY9 B N 1 +HETATM 1915 O OB . QVS B 2 11 ? 30.480 73.808 -16.024 1.00 63.23 ? 311 QVS B OB 1 +HETATM 1916 C C8 . QVS B 2 11 ? 29.953 74.413 -17.144 1.00 61.72 ? 311 QVS B C8 1 +HETATM 1917 C C9 . QVS B 2 11 ? 28.982 75.398 -17.050 1.00 59.96 ? 311 QVS B C9 1 +HETATM 1918 C CA . QVS B 2 11 ? 28.511 75.942 -18.203 1.00 59.19 ? 311 QVS B CA 1 +HETATM 1919 C C . QVS B 2 11 ? 27.515 76.966 -18.306 1.00 58.79 ? 311 QVS B C 1 +HETATM 1920 O O . QVS B 2 11 ? 27.188 77.706 -17.368 1.00 57.42 ? 311 QVS B O 1 +HETATM 1921 N N11 . QVS B 2 11 ? 29.033 75.486 -19.344 1.00 61.08 ? 311 QVS B N11 1 +HETATM 1922 C C7 . QVS B 2 11 ? 29.920 74.479 -19.504 1.00 61.61 ? 311 QVS B C7 1 +HETATM 1923 C C6 . QVS B 2 11 ? 30.405 73.919 -18.373 1.00 61.15 ? 311 QVS B C6 1 +HETATM 1924 C C5 . QVS B 2 11 ? 31.337 72.896 -18.486 1.00 62.81 ? 311 QVS B C5 1 +HETATM 1925 C C4 . QVS B 2 11 ? 31.788 72.452 -19.737 1.00 64.04 ? 311 QVS B C4 1 +HETATM 1926 C C3 . QVS B 2 11 ? 31.296 73.010 -20.906 1.00 63.82 ? 311 QVS B C3 1 +HETATM 1927 C C2 . QVS B 2 11 ? 30.328 74.019 -20.800 1.00 63.15 ? 311 QVS B C2 1 +HETATM 1928 N N . QVS B 2 11 ? 29.795 74.712 -21.877 1.00 64.21 ? 311 QVS B N 1 +HETATM 1929 O O . ZY9 B 2 12 ? 25.240 74.839 -24.803 1.00 58.47 ? 312 ZY9 B O 1 +HETATM 1930 C C . ZY9 B 2 12 ? 25.508 75.011 -23.582 1.00 60.49 ? 312 ZY9 B C 1 +HETATM 1931 C CA . ZY9 B 2 12 ? 25.113 76.252 -22.944 1.00 59.81 ? 312 ZY9 B CA 1 +HETATM 1932 N N11 . ZY9 B 2 12 ? 25.616 76.609 -21.732 1.00 58.77 ? 312 ZY9 B N11 1 +HETATM 1933 C C9 . ZY9 B 2 12 ? 24.292 77.212 -23.557 1.00 60.13 ? 312 ZY9 B C9 1 +HETATM 1934 C C8 . ZY9 B 2 12 ? 23.982 78.417 -22.893 1.00 57.00 ? 312 ZY9 B C8 1 +HETATM 1935 C C6 . ZY9 B 2 12 ? 24.513 78.691 -21.639 1.00 55.74 ? 312 ZY9 B C6 1 +HETATM 1936 C C7 . ZY9 B 2 12 ? 25.365 77.763 -21.074 1.00 56.87 ? 312 ZY9 B C7 1 +HETATM 1937 C C2 . ZY9 B 2 12 ? 25.871 78.035 -19.813 1.00 57.05 ? 312 ZY9 B C2 1 +HETATM 1938 N N . ZY9 B 2 12 ? 26.945 77.071 -19.514 1.00 57.27 ? 312 ZY9 B N 1 +HETATM 1939 O OD1 . QDD B 2 13 ? 31.095 69.390 -22.343 1.00 72.32 ? 313 QDD B OD1 1 +HETATM 1940 C CG . QDD B 2 13 ? 30.634 69.315 -21.185 1.00 67.97 ? 313 QDD B CG 1 +HETATM 1941 O OD2 . QDD B 2 13 ? 31.354 69.285 -20.161 1.00 69.18 ? 313 QDD B OD2 1 +HETATM 1942 C CB . QDD B 2 13 ? 29.155 69.055 -21.073 1.00 65.04 ? 313 QDD B CB 1 +HETATM 1943 C C8 . QDD B 2 13 ? 28.471 70.304 -21.080 1.00 64.01 ? 313 QDD B C8 1 +HETATM 1944 C C9 . QDD B 2 13 ? 28.146 70.882 -19.841 1.00 64.75 ? 313 QDD B C9 1 +HETATM 1945 C C10 . QDD B 2 13 ? 27.463 72.109 -19.766 1.00 64.26 ? 313 QDD B C10 1 +HETATM 1946 C C . QDD B 2 13 ? 27.111 72.763 -18.552 1.00 65.86 ? 313 QDD B C 1 +HETATM 1947 O O . QDD B 2 13 ? 27.575 72.388 -17.464 1.00 67.63 ? 313 QDD B O 1 +HETATM 1948 N N11 . QDD B 2 13 ? 27.099 72.705 -20.892 1.00 60.84 ? 313 QDD B N11 1 +HETATM 1949 C C7 . QDD B 2 13 ? 27.328 72.223 -22.097 1.00 60.32 ? 313 QDD B C7 1 +HETATM 1950 C C6 . QDD B 2 13 ? 28.033 71.009 -22.248 1.00 61.34 ? 313 QDD B C6 1 +HETATM 1951 C C5 . QDD B 2 13 ? 28.253 70.567 -23.544 1.00 59.21 ? 313 QDD B C5 1 +HETATM 1952 C C4 . QDD B 2 13 ? 27.786 71.307 -24.603 1.00 60.05 ? 313 QDD B C4 1 +HETATM 1953 C C3 . QDD B 2 13 ? 27.086 72.514 -24.446 1.00 60.66 ? 313 QDD B C3 1 +HETATM 1954 C C2 . QDD B 2 13 ? 26.813 72.966 -23.162 1.00 60.37 ? 313 QDD B C2 1 +HETATM 1955 N N . QDD B 2 13 ? 26.213 74.144 -22.799 1.00 61.60 ? 313 QDD B N 1 +HETATM 1956 O O . ZY9 B 2 14 ? 21.920 76.634 -21.749 1.00 62.42 ? 314 ZY9 B O 1 +HETATM 1957 C C . ZY9 B 2 14 ? 22.453 75.708 -21.080 1.00 65.16 ? 314 ZY9 B C 1 +HETATM 1958 C CA . ZY9 B 2 14 ? 22.910 75.910 -19.729 1.00 65.36 ? 314 ZY9 B CA 1 +HETATM 1959 N N11 . ZY9 B 2 14 ? 24.016 75.217 -19.308 1.00 64.32 ? 314 ZY9 B N11 1 +HETATM 1960 C C9 . ZY9 B 2 14 ? 22.251 76.782 -18.842 1.00 64.66 ? 314 ZY9 B C9 1 +HETATM 1961 C C8 . ZY9 B 2 14 ? 22.735 76.912 -17.548 1.00 62.97 ? 314 ZY9 B C8 1 +HETATM 1962 C C6 . ZY9 B 2 14 ? 23.854 76.180 -17.194 1.00 63.59 ? 314 ZY9 B C6 1 +HETATM 1963 C C7 . ZY9 B 2 14 ? 24.507 75.321 -18.063 1.00 63.94 ? 314 ZY9 B C7 1 +HETATM 1964 C C2 . ZY9 B 2 14 ? 25.613 74.601 -17.592 1.00 65.31 ? 314 ZY9 B C2 1 +HETATM 1965 N N . ZY9 B 2 14 ? 26.270 73.779 -18.683 1.00 65.05 ? 314 ZY9 B N 1 +HETATM 1966 O O . QVE B 2 15 ? 25.517 69.257 -21.092 1.00 61.68 ? 315 QVE B O 1 +HETATM 1967 C C . QVE B 2 15 ? 24.801 70.230 -20.922 1.00 63.62 ? 315 QVE B C 1 +HETATM 1968 C CA . QVE B 2 15 ? 24.225 70.873 -21.998 1.00 62.34 ? 315 QVE B CA 1 +HETATM 1969 N N11 . QVE B 2 15 ? 23.640 72.092 -21.875 1.00 60.49 ? 315 QVE B N11 1 +HETATM 1970 C C7 . QVE B 2 15 ? 22.917 72.687 -22.905 1.00 61.07 ? 315 QVE B C7 1 +HETATM 1971 C C2 . QVE B 2 15 ? 22.362 73.966 -22.746 1.00 61.62 ? 315 QVE B C2 1 +HETATM 1972 N N . QVE B 2 15 ? 22.611 74.434 -21.523 1.00 64.15 ? 315 QVE B N 1 +HETATM 1973 C C9 . QVE B 2 15 ? 24.124 70.231 -23.211 1.00 63.95 ? 315 QVE B C9 1 +HETATM 1974 C C8 . QVE B 2 15 ? 23.462 70.833 -24.281 1.00 63.45 ? 315 QVE B C8 1 +HETATM 1975 O OB . QVE B 2 15 ? 23.216 70.250 -25.465 1.00 66.29 ? 315 QVE B OB 1 +HETATM 1976 C CG . QVE B 2 15 ? 24.385 69.629 -26.086 1.00 69.45 ? 315 QVE B CG 1 +HETATM 1977 C CD . QVE B 2 15 ? 23.808 68.859 -27.385 1.00 73.41 ? 315 QVE B CD 1 +HETATM 1978 O OE2 . QVE B 2 15 ? 24.706 68.234 -28.013 1.00 75.80 ? 315 QVE B OE2 1 +HETATM 1979 O OE1 . QVE B 2 15 ? 22.519 68.813 -27.627 1.00 72.90 ? 315 QVE B OE1 1 +HETATM 1980 C C6 . QVE B 2 15 ? 22.801 72.067 -24.146 1.00 62.26 ? 315 QVE B C6 1 +HETATM 1981 C C5 . QVE B 2 15 ? 22.151 72.693 -25.252 1.00 61.58 ? 315 QVE B C5 1 +HETATM 1982 C C4 . QVE B 2 15 ? 21.608 73.985 -25.085 1.00 62.02 ? 315 QVE B C4 1 +HETATM 1983 C C3 . QVE B 2 15 ? 21.729 74.632 -23.827 1.00 62.01 ? 315 QVE B C3 1 +HETATM 1984 O O . QUK B 2 16 ? 20.692 73.209 -18.261 1.00 75.53 ? 316 QUK B O 1 +HETATM 1985 C C . QUK B 2 16 ? 21.410 73.390 -17.269 1.00 72.46 ? 316 QUK B C 1 +HETATM 1986 C C10 . QUK B 2 16 ? 22.452 72.538 -16.854 1.00 70.57 ? 316 QUK B C10 1 +HETATM 1987 N N11 . QUK B 2 16 ? 23.202 71.875 -17.763 1.00 68.62 ? 316 QUK B N11 1 +HETATM 1988 C C7 . QUK B 2 16 ? 24.134 70.945 -17.461 1.00 68.52 ? 316 QUK B C7 1 +HETATM 1989 C CA . QUK B 2 16 ? 24.811 70.280 -18.485 1.00 67.49 ? 316 QUK B CA 1 +HETATM 1990 N N . QUK B 2 16 ? 24.439 70.707 -19.714 1.00 66.49 ? 316 QUK B N 1 +HETATM 1991 C C9 . QUK B 2 16 ? 22.684 72.275 -15.512 1.00 71.52 ? 316 QUK B C9 1 +HETATM 1992 C C8 . QUK B 2 16 ? 23.669 71.327 -15.157 1.00 72.96 ? 316 QUK B C8 1 +HETATM 1993 C C6 . QUK B 2 16 ? 24.389 70.636 -16.137 1.00 70.53 ? 316 QUK B C6 1 +HETATM 1994 C C5 . QUK B 2 16 ? 25.322 69.602 -15.842 1.00 70.92 ? 316 QUK B C5 1 +HETATM 1995 C C4 . QUK B 2 16 ? 26.012 68.956 -16.856 1.00 69.50 ? 316 QUK B C4 1 +HETATM 1996 C C3 . QUK B 2 16 ? 25.770 69.295 -18.189 1.00 67.75 ? 316 QUK B C3 1 +HETATM 1997 O OB . QUK B 2 16 ? 23.954 70.979 -13.858 1.00 79.29 ? 316 QUK B OB 1 +HETATM 1998 C CG . QUK B 2 16 ? 22.997 71.447 -12.723 1.00 82.34 ? 316 QUK B CG 1 +HETATM 1999 C CD . QUK B 2 16 ? 23.488 70.901 -11.357 1.00 84.92 ? 316 QUK B CD 1 +HETATM 2000 C CE . QUK B 2 16 ? 24.836 70.169 -11.500 1.00 86.88 ? 316 QUK B CE 1 +HETATM 2001 O OXT . QUK B 2 16 ? 21.189 74.460 -16.643 1.00 71.70 ? 316 QUK B OXT 1 +HETATM 2002 N N1 . QUK B 2 16 ? 25.809 71.054 -12.153 1.00 86.47 ? 316 QUK B N1 1 +HETATM 2003 ZN ZN . ZN C 3 . ? 23.784 92.106 -35.005 1.00 87.11 ? 301 ZN A ZN 1 +HETATM 2004 O O . HOH D 4 . ? 14.105 94.712 -18.935 1.00 51.99 ? 401 HOH A O 1 +HETATM 2005 O O . HOH D 4 . ? 12.971 101.035 -18.769 1.00 56.65 ? 402 HOH A O 1 +HETATM 2006 O O . HOH D 4 . ? 8.215 104.439 -28.207 1.00 58.43 ? 403 HOH A O 1 +HETATM 2007 O O . HOH D 4 . ? 26.976 110.606 -36.081 1.00 60.57 ? 404 HOH A O 1 +HETATM 2008 O O . HOH E 4 . ? 25.652 79.879 -17.259 1.00 59.26 ? 401 HOH B O 1 +HETATM 2009 O O . HOH E 4 . ? 26.120 73.047 -14.527 1.00 59.57 ? 402 HOH B O 1 +# +loop_ +_atom_site_anisotrop.id +_atom_site_anisotrop.type_symbol +_atom_site_anisotrop.pdbx_label_atom_id +_atom_site_anisotrop.pdbx_label_alt_id +_atom_site_anisotrop.pdbx_label_comp_id +_atom_site_anisotrop.pdbx_label_asym_id +_atom_site_anisotrop.pdbx_label_seq_id +_atom_site_anisotrop.pdbx_PDB_ins_code +_atom_site_anisotrop.U[1][1] +_atom_site_anisotrop.U[2][2] +_atom_site_anisotrop.U[3][3] +_atom_site_anisotrop.U[1][2] +_atom_site_anisotrop.U[1][3] +_atom_site_anisotrop.U[2][3] +_atom_site_anisotrop.pdbx_auth_seq_id +_atom_site_anisotrop.pdbx_auth_comp_id +_atom_site_anisotrop.pdbx_auth_asym_id +_atom_site_anisotrop.pdbx_auth_atom_id +1 N N . GLY A 11 ? 1.6017 1.3066 1.1513 0.0710 0.0993 -0.1327 12 GLY A N +2 C CA . GLY A 11 ? 1.6381 1.3518 1.1613 0.0668 0.0858 -0.1232 12 GLY A CA +3 C C . GLY A 11 ? 1.6721 1.3928 1.2018 0.0586 0.0543 -0.1256 12 GLY A C +4 O O . GLY A 11 ? 1.6349 1.3559 1.1932 0.0554 0.0427 -0.1325 12 GLY A O +5 N N . PRO A 12 ? 1.7472 1.4736 1.2544 0.0553 0.0407 -0.1191 13 PRO A N +6 C CA . PRO A 12 ? 1.7529 1.4903 1.2756 0.0469 0.0137 -0.1169 13 PRO A CA +7 C C . PRO A 12 ? 1.8086 1.5390 1.3493 0.0444 -0.0056 -0.1293 13 PRO A C +8 O O . PRO A 12 ? 1.8019 1.5499 1.3811 0.0361 -0.0192 -0.1211 13 PRO A O +9 C CB . PRO A 12 ? 1.7545 1.4830 1.2306 0.0494 0.0052 -0.1171 13 PRO A CB +10 C CG . PRO A 12 ? 1.7582 1.4894 1.2182 0.0537 0.0290 -0.1066 13 PRO A CG +11 C CD . PRO A 12 ? 1.7721 1.4959 1.2432 0.0595 0.0525 -0.1113 13 PRO A CD +12 N N . GLU A 13 ? 1.9266 1.6311 1.4400 0.0518 -0.0065 -0.1481 14 GLU A N +13 C CA . GLU A 13 ? 1.9657 1.6600 1.4973 0.0503 -0.0257 -0.1623 14 GLU A CA +14 C C . GLU A 13 ? 1.9650 1.6741 1.5552 0.0457 -0.0196 -0.1570 14 GLU A C +15 O O . GLU A 13 ? 2.0044 1.7182 1.6293 0.0400 -0.0381 -0.1585 14 GLU A O +16 C CB . GLU A 13 ? 1.9620 1.6216 1.4459 0.0605 -0.0259 -0.1854 14 GLU A CB +17 N N . HIS A 14 ? 1.9264 1.6425 1.5305 0.0479 0.0044 -0.1497 15 HIS A N +18 C CA . HIS A 14 ? 1.8721 1.5997 1.5308 0.0446 0.0114 -0.1441 15 HIS A CA +19 C C . HIS A 14 ? 1.7525 1.5072 1.4421 0.0373 0.0159 -0.1215 15 HIS A C +20 O O . HIS A 14 ? 1.7274 1.4893 1.4484 0.0374 0.0302 -0.1143 15 HIS A O +21 C CB . HIS A 14 ? 1.9286 1.6382 1.5825 0.0541 0.0342 -0.1563 15 HIS A CB +22 C CG . HIS A 14 ? 1.9978 1.6762 1.6042 0.0633 0.0330 -0.1796 15 HIS A CG +23 N ND1 . HIS A 14 ? 2.0135 1.6802 1.6152 0.0615 0.0074 -0.1932 15 HIS A ND1 +24 C CD2 . HIS A 14 ? 2.0569 1.7116 1.6168 0.0746 0.0534 -0.1919 15 HIS A CD2 +25 C CE1 . HIS A 14 ? 2.0913 1.7272 1.6429 0.0712 0.0096 -0.2142 15 HIS A CE1 +26 N NE2 . HIS A 14 ? 2.1475 1.7750 1.6697 0.0797 0.0390 -0.2137 15 HIS A NE2 +27 N N . TRP A 15 ? 1.6056 1.3736 1.2877 0.0314 0.0033 -0.1110 16 TRP A N +28 C CA . TRP A 15 ? 1.4768 1.2686 1.1844 0.0241 0.0034 -0.0911 16 TRP A CA +29 C C . TRP A 15 ? 1.4243 1.2277 1.1745 0.0165 -0.0106 -0.0839 16 TRP A C +30 O O . TRP A 15 ? 1.3779 1.1937 1.1592 0.0126 -0.0068 -0.0715 16 TRP A O +31 C CB . TRP A 15 ? 1.3930 1.1913 1.0714 0.0224 -0.0007 -0.0844 16 TRP A CB +32 C CG . TRP A 15 ? 1.3316 1.1248 0.9803 0.0283 0.0165 -0.0835 16 TRP A CG +33 C CD1 . TRP A 15 ? 1.3146 1.0998 0.9636 0.0346 0.0367 -0.0863 16 TRP A CD1 +34 C CD2 . TRP A 15 ? 1.2553 1.0519 0.8754 0.0286 0.0169 -0.0776 16 TRP A CD2 +35 N NE1 . TRP A 15 ? 1.2856 1.0687 0.9075 0.0388 0.0500 -0.0819 16 TRP A NE1 +36 C CE2 . TRP A 15 ? 1.2617 1.0516 0.8650 0.0351 0.0375 -0.0767 16 TRP A CE2 +37 C CE3 . TRP A 15 ? 1.2314 1.0357 0.8415 0.0244 0.0031 -0.0725 16 TRP A CE3 +38 C CZ2 . TRP A 15 ? 1.2639 1.0548 0.8407 0.0371 0.0433 -0.0703 16 TRP A CZ2 +39 C CZ3 . TRP A 15 ? 1.2360 1.0413 0.8205 0.0263 0.0083 -0.0671 16 TRP A CZ3 +40 C CH2 . TRP A 15 ? 1.2492 1.0478 0.8167 0.0325 0.0275 -0.0659 16 TRP A CH2 +41 N N . HIS A 16 ? 1.4473 1.2450 1.2004 0.0149 -0.0267 -0.0913 17 HIS A N +42 C CA . HIS A 16 ? 1.4731 1.2796 1.2686 0.0084 -0.0397 -0.0845 17 HIS A CA +43 C C . HIS A 16 ? 1.4428 1.2503 1.2761 0.0082 -0.0330 -0.0822 17 HIS A C +44 O O . HIS A 16 ? 1.5064 1.3257 1.3765 0.0019 -0.0406 -0.0694 17 HIS A O +45 C CB . HIS A 16 ? 1.5310 1.3263 1.3262 0.0086 -0.0573 -0.0967 17 HIS A CB +46 C CG . HIS A 16 ? 1.6523 1.4237 1.4310 0.0160 -0.0568 -0.1186 17 HIS A CG +47 N ND1 . HIS A 16 ? 1.7104 1.4747 1.5109 0.0191 -0.0474 -0.1249 17 HIS A ND1 +48 C CD2 . HIS A 16 ? 1.7579 1.5088 1.4982 0.0216 -0.0645 -0.1361 17 HIS A CD2 +49 C CE1 . HIS A 16 ? 1.8257 1.5658 1.6005 0.0267 -0.0472 -0.1465 17 HIS A CE1 +50 N NE2 . HIS A 16 ? 1.8590 1.5895 1.5937 0.0284 -0.0587 -0.1539 17 HIS A NE2 +51 N N . LYS A 17 ? 1.3783 1.1735 1.2058 0.0149 -0.0188 -0.0928 18 LYS A N +52 C CA . LYS A 17 ? 1.3114 1.1079 1.1807 0.0149 -0.0117 -0.0896 18 LYS A CA +53 C C . LYS A 17 ? 1.2605 1.0765 1.1510 0.0088 -0.0099 -0.0678 18 LYS A C +54 O O . LYS A 17 ? 1.2251 1.0525 1.1446 0.0019 -0.0216 -0.0545 18 LYS A O +55 C CB . LYS A 17 ? 1.3130 1.0932 1.1727 0.0240 0.0074 -0.1037 18 LYS A CB +56 N N . ASP A 18 ? 1.2437 1.0622 1.1177 0.0114 0.0032 -0.0641 19 ASP A N +57 C CA . ASP A 18 ? 1.2081 1.0412 1.1026 0.0069 0.0047 -0.0459 19 ASP A CA +58 C C . ASP A 18 ? 1.1116 0.9582 0.9932 0.0000 -0.0075 -0.0325 19 ASP A C +59 O O . ASP A 18 ? 1.0581 0.9153 0.9601 -0.0051 -0.0127 -0.0169 19 ASP A O +60 C CB . ASP A 18 ? 1.2767 1.1070 1.1612 0.0121 0.0223 -0.0468 19 ASP A CB +61 C CG . ASP A 18 ? 1.3514 1.1682 1.2513 0.0198 0.0393 -0.0581 19 ASP A CG +62 O OD1 . ASP A 18 ? 1.4060 1.2121 1.3135 0.0222 0.0372 -0.0702 19 ASP A OD1 +63 O OD2 . ASP A 18 ? 1.3726 1.1889 1.2788 0.0236 0.0554 -0.0549 19 ASP A OD2 +64 N N . PHE A 19 ? 1.0716 0.9167 0.9216 0.0002 -0.0124 -0.0381 20 PHE A N +65 C CA . PHE A 19 ? 1.0102 0.8663 0.8438 -0.0046 -0.0202 -0.0277 20 PHE A CA +66 C C . PHE A 19 ? 0.9827 0.8383 0.8157 -0.0068 -0.0315 -0.0305 20 PHE A C +67 O O . PHE A 19 ? 0.9834 0.8340 0.7910 -0.0046 -0.0337 -0.0389 20 PHE A O +68 C CB . PHE A 19 ? 1.0013 0.8566 0.7996 -0.0014 -0.0126 -0.0305 20 PHE A CB +69 C CG . PHE A 19 ? 0.9905 0.8485 0.7937 -0.0002 -0.0024 -0.0248 20 PHE A CG +70 C CD1 . PHE A 19 ? 1.0095 0.8582 0.8157 0.0059 0.0112 -0.0326 20 PHE A CD1 +71 C CD2 . PHE A 19 ? 0.9983 0.8670 0.8055 -0.0049 -0.0067 -0.0115 20 PHE A CD2 +72 C CE1 . PHE A 19 ? 1.0316 0.8835 0.8515 0.0069 0.0206 -0.0257 20 PHE A CE1 +73 C CE2 . PHE A 19 ? 0.9999 0.8704 0.8178 -0.0041 -0.0004 -0.0062 20 PHE A CE2 +74 C CZ . PHE A 19 ? 1.0444 0.9074 0.8718 0.0015 0.0132 -0.0126 20 PHE A CZ +75 N N . PRO A 20 ? 0.9711 0.8317 0.8350 -0.0115 -0.0398 -0.0220 21 PRO A N +76 C CA . PRO A 20 ? 0.9982 0.8582 0.8713 -0.0135 -0.0503 -0.0238 21 PRO A CA +77 C C . PRO A 20 ? 1.0233 0.8926 0.8826 -0.0167 -0.0535 -0.0147 21 PRO A C +78 O O . PRO A 20 ? 1.0496 0.9186 0.9214 -0.0183 -0.0619 -0.0156 21 PRO A O +79 C CB . PRO A 20 ? 0.9937 0.8566 0.9092 -0.0172 -0.0556 -0.0150 21 PRO A CB +80 C CG . PRO A 20 ? 0.9868 0.8555 0.9108 -0.0188 -0.0501 -0.0030 21 PRO A CG +81 C CD . PRO A 20 ? 0.9782 0.8440 0.8735 -0.0146 -0.0402 -0.0102 21 PRO A CD +82 N N . ILE A 21 ? 0.9900 0.8664 0.8274 -0.0174 -0.0472 -0.0068 22 ILE A N +83 C CA . ILE A 21 ? 0.9464 0.8292 0.7661 -0.0189 -0.0476 -0.0018 22 ILE A CA +84 C C . ILE A 21 ? 0.9560 0.8305 0.7583 -0.0151 -0.0514 -0.0163 22 ILE A C +85 O O . ILE A 21 ? 0.9413 0.8192 0.7421 -0.0164 -0.0559 -0.0141 22 ILE A O +86 C CB . ILE A 21 ? 0.9564 0.8456 0.7547 -0.0196 -0.0406 0.0063 22 ILE A CB +87 C CG1 . ILE A 21 ? 0.9271 0.8230 0.7125 -0.0212 -0.0395 0.0130 22 ILE A CG1 +88 C CG2 . ILE A 21 ? 0.9999 0.8834 0.7773 -0.0152 -0.0344 -0.0032 22 ILE A CG2 +89 C CD1 . ILE A 21 ? 0.9211 0.8229 0.7261 -0.0249 -0.0409 0.0258 22 ILE A CD1 +90 N N . ALA A 22 ? 0.9712 0.8337 0.7620 -0.0104 -0.0499 -0.0304 23 ALA A N +91 C CA . ALA A 22 ? 0.9929 0.8432 0.7573 -0.0056 -0.0539 -0.0449 23 ALA A CA +92 C C . ALA A 22 ? 1.0216 0.8676 0.8000 -0.0071 -0.0694 -0.0498 23 ALA A C +93 O O . ALA A 22 ? 1.0186 0.8584 0.7764 -0.0051 -0.0766 -0.0564 23 ALA A O +94 C CB . ALA A 22 ? 0.9930 0.8292 0.7442 0.0001 -0.0471 -0.0579 23 ALA A CB +95 N N . LYS A 23 ? 1.0597 0.9088 0.8752 -0.0107 -0.0758 -0.0455 24 LYS A N +96 C CA . LYS A 23 ? 1.0819 0.9280 0.9211 -0.0127 -0.0915 -0.0482 24 LYS A CA +97 C C . LYS A 23 ? 1.0830 0.9456 0.9425 -0.0178 -0.0899 -0.0301 24 LYS A C +98 O O . LYS A 23 ? 1.1535 1.0182 1.0473 -0.0208 -0.0994 -0.0260 24 LYS A O +99 C CB . LYS A 23 ? 1.0657 0.9044 0.9380 -0.0132 -0.0989 -0.0542 24 LYS A CB +100 N N . GLY A 24 ? 1.0634 0.9361 0.9037 -0.0185 -0.0777 -0.0199 25 GLY A N +101 C CA . GLY A 24 ? 1.0463 0.9330 0.8999 -0.0223 -0.0716 -0.0026 25 GLY A CA +102 C C . GLY A 24 ? 1.0235 0.9121 0.8826 -0.0226 -0.0777 -0.0023 25 GLY A C +103 O O . GLY A 24 ? 1.0110 0.8894 0.8587 -0.0200 -0.0892 -0.0157 25 GLY A O +104 N N . GLU A 25 ? 0.9889 0.8889 0.8638 -0.0253 -0.0698 0.0128 26 GLU A N +105 C CA . GLU A 25 ? 1.0156 0.9194 0.9108 -0.0261 -0.0740 0.0167 26 GLU A CA +106 C C . GLU A 25 ? 1.0054 0.9116 0.8714 -0.0240 -0.0684 0.0152 26 GLU A C +107 O O . GLU A 25 ? 0.9847 0.8937 0.8690 -0.0244 -0.0722 0.0180 26 GLU A O +108 C CB . GLU A 25 ? 1.0317 0.9456 0.9644 -0.0294 -0.0655 0.0347 26 GLU A CB +109 C CG . GLU A 25 ? 1.0417 0.9528 1.0204 -0.0316 -0.0777 0.0352 26 GLU A CG +110 N N . ARG A 26 ? 0.9911 0.8955 0.8189 -0.0219 -0.0610 0.0110 27 ARG A N +111 C CA . ARG A 26 ? 0.9638 0.8705 0.7638 -0.0200 -0.0542 0.0104 27 ARG A CA +112 C C . ARG A 26 ? 0.9163 0.8145 0.6814 -0.0167 -0.0559 -0.0009 27 ARG A C +113 O O . ARG A 26 ? 0.8915 0.7925 0.6348 -0.0156 -0.0465 0.0009 27 ARG A O +114 C CB . ARG A 26 ? 1.0043 0.9189 0.7950 -0.0210 -0.0383 0.0216 27 ARG A CB +115 C CG . ARG A 26 ? 1.0826 1.0051 0.8935 -0.0222 -0.0296 0.0333 27 ARG A CG +116 C CD . ARG A 26 ? 1.1770 1.1026 0.9650 -0.0218 -0.0147 0.0406 27 ARG A CD +117 N NE . ARG A 26 ? 1.2493 1.1772 1.0472 -0.0237 -0.0069 0.0530 27 ARG A NE +118 C CZ . ARG A 26 ? 1.3338 1.2601 1.1079 -0.0239 0.0000 0.0585 27 ARG A CZ +119 N NH1 . ARG A 26 ? 1.3392 1.2620 1.0824 -0.0226 -0.0001 0.0518 27 ARG A NH1 +120 N NH2 . ARG A 26 ? 1.4059 1.3330 1.1882 -0.0254 0.0061 0.0715 27 ARG A NH2 +121 N N . GLN A 27 ? 0.9166 0.8037 0.6756 -0.0146 -0.0666 -0.0125 28 GLN A N +122 C CA . GLN A 27 ? 0.9039 0.7822 0.6295 -0.0106 -0.0635 -0.0216 28 GLN A CA +123 C C . GLN A 27 ? 0.8842 0.7581 0.5868 -0.0078 -0.0672 -0.0253 28 GLN A C +124 O O . GLN A 27 ? 0.8702 0.7452 0.5862 -0.0089 -0.0766 -0.0237 28 GLN A O +125 C CB . GLN A 27 ? 0.9237 0.7901 0.6500 -0.0087 -0.0697 -0.0322 28 GLN A CB +126 C CG . GLN A 27 ? 0.9264 0.7980 0.6741 -0.0112 -0.0636 -0.0267 28 GLN A CG +127 C CD . GLN A 27 ? 0.9440 0.8189 0.6767 -0.0103 -0.0504 -0.0230 28 GLN A CD +128 O OE1 . GLN A 27 ? 0.9910 0.8582 0.7010 -0.0062 -0.0457 -0.0304 28 GLN A OE1 +129 N NE2 . GLN A 27 ? 0.9076 0.7929 0.6533 -0.0140 -0.0448 -0.0108 28 GLN A NE2 +130 N N . SER A 28 ? 0.9169 0.7865 0.5901 -0.0043 -0.0594 -0.0283 29 SER A N +131 C CA . SER A 28 ? 0.9420 0.8071 0.5902 -0.0012 -0.0605 -0.0296 29 SER A CA +132 C C . SER A 28 ? 0.9331 0.7832 0.5487 0.0042 -0.0585 -0.0387 29 SER A C +133 O O . SER A 28 ? 0.9032 0.7506 0.5169 0.0055 -0.0496 -0.0415 29 SER A O +134 C CB . SER A 28 ? 0.9371 0.8134 0.5846 -0.0023 -0.0486 -0.0208 29 SER A CB +135 O OG . SER A 28 ? 0.9321 0.8199 0.6049 -0.0064 -0.0471 -0.0130 29 SER A OG +136 N N . PRO A 29 ? 0.9660 0.8048 0.5542 0.0081 -0.0651 -0.0426 30 PRO A N +137 C CA . PRO A 29 ? 0.9616 0.8032 0.5522 0.0070 -0.0754 -0.0379 30 PRO A CA +138 C C . PRO A 29 ? 0.9754 0.8117 0.5825 0.0051 -0.0963 -0.0421 30 PRO A C +139 O O . PRO A 29 ? 1.0027 0.8314 0.6140 0.0053 -0.1022 -0.0499 30 PRO A O +140 C CB . PRO A 29 ? 0.9726 0.8003 0.5228 0.0126 -0.0751 -0.0403 30 PRO A CB +141 C CG . PRO A 29 ? 1.0031 0.8139 0.5301 0.0169 -0.0751 -0.0518 30 PRO A CG +142 C CD . PRO A 29 ? 0.9841 0.8049 0.5352 0.0145 -0.0621 -0.0512 30 PRO A CD +143 N N . VAL A 30 ? 1.0162 0.8556 0.6342 0.0037 -0.1071 -0.0371 31 VAL A N +144 C CA . VAL A 30 ? 1.0881 0.9227 0.7295 0.0017 -0.1297 -0.0397 31 VAL A CA +145 C C . VAL A 30 ? 1.1541 0.9768 0.7739 0.0043 -0.1463 -0.0404 31 VAL A C +146 O O . VAL A 30 ? 1.1966 1.0208 0.7943 0.0066 -0.1369 -0.0350 31 VAL A O +147 C CB . VAL A 30 ? 1.0531 0.9055 0.7454 -0.0036 -0.1272 -0.0299 31 VAL A CB +148 C CG1 . VAL A 30 ? 1.0303 0.8909 0.7404 -0.0060 -0.1144 -0.0286 31 VAL A CG1 +149 C CG2 . VAL A 30 ? 1.0438 0.9097 0.7455 -0.0045 -0.1156 -0.0191 31 VAL A CG2 +150 N N . ASP A 31 ? 1.2162 1.0259 0.8420 0.0042 -0.1717 -0.0467 32 ASP A N +151 C CA . ASP A 31 ? 1.2853 1.0846 0.9003 0.0056 -0.1927 -0.0450 32 ASP A CA +152 C C . ASP A 31 ? 1.2541 1.0725 0.9206 0.0010 -0.1928 -0.0322 32 ASP A C +153 O O . ASP A 31 ? 1.2093 1.0424 0.9201 -0.0030 -0.1851 -0.0283 32 ASP A O +154 C CB . ASP A 31 ? 1.3864 1.1624 0.9882 0.0072 -0.2229 -0.0573 32 ASP A CB +155 C CG . ASP A 31 ? 1.4710 1.2326 1.0528 0.0092 -0.2470 -0.0555 32 ASP A CG +156 O OD1 . ASP A 31 ? 1.4994 1.2531 1.0342 0.0137 -0.2393 -0.0530 32 ASP A OD1 +157 O OD2 . ASP A 31 ? 1.5409 1.2999 1.1583 0.0060 -0.2732 -0.0548 32 ASP A OD2 +158 N N . ILE A 32 ? 1.2552 1.0729 0.9159 0.0020 -0.1992 -0.0253 33 ILE A N +159 C CA . ILE A 32 ? 1.2205 1.0548 0.9298 -0.0012 -0.1978 -0.0132 33 ILE A CA +160 C C . ILE A 32 ? 1.2992 1.1222 1.0240 -0.0017 -0.2298 -0.0121 33 ILE A C +161 O O . ILE A 32 ? 1.3225 1.1401 1.0293 0.0002 -0.2372 -0.0070 33 ILE A O +162 C CB . ILE A 32 ? 1.1758 1.0206 0.8727 0.0001 -0.1764 -0.0050 33 ILE A CB +163 C CG1 . ILE A 32 ? 1.1448 0.9954 0.8175 0.0013 -0.1500 -0.0076 33 ILE A CG1 +164 C CG2 . ILE A 32 ? 1.1356 0.9976 0.8849 -0.0028 -0.1704 0.0055 33 ILE A CG2 +165 C CD1 . ILE A 32 ? 1.1284 0.9878 0.7913 0.0026 -0.1310 -0.0006 33 ILE A CD1 +166 N N . ASP A 33 ? 1.3755 1.1945 1.1345 -0.0045 -0.2495 -0.0163 34 ASP A N +167 C CA . ASP A 33 ? 1.4263 1.2373 1.2191 -0.0063 -0.2825 -0.0138 34 ASP A CA +168 C C . ASP A 33 ? 1.4123 1.2438 1.2609 -0.0089 -0.2722 0.0010 34 ASP A C +169 O O . ASP A 33 ? 1.3828 1.2327 1.2806 -0.0119 -0.2532 0.0070 34 ASP A O +170 C CB . ASP A 33 ? 1.4328 1.2352 1.2547 -0.0087 -0.3043 -0.0222 34 ASP A CB +171 C CG . ASP A 33 ? 1.4203 1.2295 1.3167 -0.0131 -0.3242 -0.0138 34 ASP A CG +172 O OD1 . ASP A 33 ? 1.4359 1.2353 1.3370 -0.0128 -0.3505 -0.0106 34 ASP A OD1 +173 O OD2 . ASP A 33 ? 1.3615 1.1861 1.3129 -0.0165 -0.3120 -0.0089 34 ASP A OD2 +174 N N . THR A 34 ? 1.3827 1.2098 1.2221 -0.0074 -0.2829 0.0073 35 THR A N +175 C CA . THR A 34 ? 1.3714 1.2158 1.2527 -0.0085 -0.2700 0.0207 35 THR A CA +176 C C . THR A 34 ? 1.4131 1.2668 1.3744 -0.0124 -0.2817 0.0282 35 THR A C +177 O O . THR A 34 ? 1.3624 1.2340 1.3679 -0.0132 -0.2609 0.0384 35 THR A O +178 C CB . THR A 34 ? 1.3766 1.2104 1.2239 -0.0056 -0.2825 0.0251 35 THR A CB +179 O OG1 . THR A 34 ? 1.3871 1.1980 1.2162 -0.0050 -0.3211 0.0197 35 THR A OG1 +180 C CG2 . THR A 34 ? 1.3647 1.1959 1.1487 -0.0017 -0.2605 0.0224 35 THR A CG2 +181 N N . HIS A 35 ? 1.5001 1.3415 1.4819 -0.0143 -0.3129 0.0234 36 HIS A N +182 C CA . HIS A 35 ? 1.5334 1.3825 1.5995 -0.0182 -0.3272 0.0312 36 HIS A CA +183 C C . HIS A 35 ? 1.4468 1.3170 1.5584 -0.0202 -0.2936 0.0364 36 HIS A C +184 O O . HIS A 35 ? 1.4009 1.2863 1.5785 -0.0216 -0.2823 0.0486 36 HIS A O +185 C CB . HIS A 35 ? 1.6127 1.4412 1.6878 -0.0199 -0.3707 0.0232 36 HIS A CB +186 C CG . HIS A 35 ? 1.7107 1.5159 1.7432 -0.0178 -0.4070 0.0195 36 HIS A CG +187 N ND1 . HIS A 35 ? 1.8069 1.5865 1.7646 -0.0147 -0.4260 0.0047 36 HIS A ND1 +188 C CD2 . HIS A 35 ? 1.7256 1.5274 1.7765 -0.0179 -0.4272 0.0291 36 HIS A CD2 +189 C CE1 . HIS A 35 ? 1.8545 1.6150 1.7819 -0.0128 -0.4565 0.0057 36 HIS A CE1 +190 N NE2 . HIS A 35 ? 1.8291 1.6032 1.8141 -0.0150 -0.4590 0.0211 36 HIS A NE2 +191 N N . THR A 36 ? 1.3897 1.2596 1.4677 -0.0198 -0.2779 0.0283 37 THR A N +192 C CA . THR A 36 ? 1.3048 1.1912 1.4185 -0.0216 -0.2492 0.0332 37 THR A CA +193 C C . THR A 36 ? 1.2908 1.1921 1.3843 -0.0195 -0.2098 0.0387 37 THR A C +194 O O . THR A 36 ? 1.2822 1.1983 1.4128 -0.0203 -0.1838 0.0471 37 THR A O +195 C CB . THR A 36 ? 1.2217 1.0993 1.3111 -0.0223 -0.2541 0.0224 37 THR A CB +196 N N . ALA A 37 ? 1.2903 1.1865 1.3270 -0.0166 -0.2057 0.0344 38 ALA A N +197 C CA . ALA A 37 ? 1.2474 1.1544 1.2572 -0.0145 -0.1719 0.0367 38 ALA A CA +198 C C . ALA A 37 ? 1.1782 1.0982 1.2354 -0.0141 -0.1568 0.0478 38 ALA A C +199 O O . ALA A 37 ? 1.1708 1.0887 1.2186 -0.0124 -0.1616 0.0496 38 ALA A O +200 C CB . ALA A 37 ? 1.2779 1.1746 1.2217 -0.0117 -0.1750 0.0298 38 ALA A CB +201 N N . LYS A 38 ? 1.1129 1.0449 1.2201 -0.0152 -0.1382 0.0555 39 LYS A N +202 C CA . LYS A 38 ? 1.0948 1.0375 1.2614 -0.0146 -0.1263 0.0665 39 LYS A CA +203 C C . LYS A 38 ? 1.0744 1.0233 1.2138 -0.0112 -0.0962 0.0666 39 LYS A C +204 O O . LYS A 38 ? 1.0687 1.0191 1.1679 -0.0102 -0.0749 0.0624 39 LYS A O +205 C CB . LYS A 38 ? 1.0856 1.0372 1.3173 -0.0162 -0.1160 0.0758 39 LYS A CB +206 C CG . LYS A 38 ? 1.0611 1.0111 1.3618 -0.0188 -0.1444 0.0823 39 LYS A CG +207 N N . TYR A 39 ? 1.0508 1.0018 1.2125 -0.0096 -0.0972 0.0709 40 TYR A N +208 C CA . TYR A 39 ? 1.0334 0.9889 1.1787 -0.0062 -0.0720 0.0704 40 TYR A CA +209 C C . TYR A 39 ? 1.0385 1.0032 1.2038 -0.0042 -0.0357 0.0742 40 TYR A C +210 O O . TYR A 39 ? 1.0528 1.0239 1.2789 -0.0040 -0.0283 0.0831 40 TYR A O +211 C CB . TYR A 39 ? 1.0521 1.0083 1.2344 -0.0052 -0.0829 0.0762 40 TYR A CB +212 C CG . TYR A 39 ? 1.0827 1.0455 1.2753 -0.0015 -0.0531 0.0775 40 TYR A CG +213 C CD1 . TYR A 39 ? 1.1126 1.0724 1.2534 0.0006 -0.0422 0.0704 40 TYR A CD1 +214 C CD2 . TYR A 39 ? 1.0860 1.0571 1.3417 0.0002 -0.0347 0.0854 40 TYR A CD2 +215 C CE1 . TYR A 39 ? 1.1082 1.0718 1.2572 0.0043 -0.0164 0.0695 40 TYR A CE1 +216 C CE2 . TYR A 39 ? 1.1014 1.0761 1.3639 0.0045 -0.0061 0.0846 40 TYR A CE2 +217 C CZ . TYR A 39 ? 1.0985 1.0688 1.3061 0.0065 0.0019 0.0758 40 TYR A CZ +218 O OH . TYR A 39 ? 1.0973 1.0691 1.3108 0.0109 0.0288 0.0732 40 TYR A OH +219 N N . ASP A 40 ? 1.0738 1.0377 1.1894 -0.0025 -0.0141 0.0681 41 ASP A N +220 C CA . ASP A 40 ? 1.1195 1.0882 1.2383 0.0004 0.0215 0.0705 41 ASP A CA +221 C C . ASP A 40 ? 1.1376 1.1058 1.2480 0.0045 0.0395 0.0671 41 ASP A C +222 O O . ASP A 40 ? 1.1859 1.1493 1.2518 0.0051 0.0353 0.0591 41 ASP A O +223 C CB . ASP A 40 ? 1.1427 1.1083 1.2115 -0.0004 0.0296 0.0659 41 ASP A CB +224 C CG . ASP A 40 ? 1.1415 1.1084 1.2002 0.0027 0.0639 0.0683 41 ASP A CG +225 O OD1 . ASP A 40 ? 1.1761 1.1448 1.2572 0.0067 0.0849 0.0708 41 ASP A OD1 +226 O OD2 . ASP A 40 ? 1.0634 1.0280 1.0902 0.0016 0.0693 0.0676 41 ASP A OD2 +227 N N . PRO A 41 ? 1.1645 1.1373 1.3196 0.0080 0.0618 0.0728 42 PRO A N +228 C CA . PRO A 41 ? 1.1646 1.1354 1.3135 0.0124 0.0791 0.0679 42 PRO A CA +229 C C . PRO A 41 ? 1.1479 1.1139 1.2554 0.0165 0.1110 0.0618 42 PRO A C +230 O O . PRO A 41 ? 1.1651 1.1275 1.2667 0.0207 0.1268 0.0560 42 PRO A O +231 C CB . PRO A 41 ? 1.1729 1.1502 1.3975 0.0143 0.0868 0.0777 42 PRO A CB +232 C CG . PRO A 41 ? 1.1982 1.1800 1.4524 0.0134 0.0976 0.0869 42 PRO A CG +233 C CD . PRO A 41 ? 1.1892 1.1686 1.4059 0.0083 0.0732 0.0842 42 PRO A CD +234 N N . SER A 42 ? 1.0939 1.0585 1.1748 0.0156 0.1195 0.0631 43 SER A N +235 C CA . SER A 42 ? 1.1112 1.0682 1.1428 0.0193 0.1456 0.0573 43 SER A CA +236 C C . SER A 42 ? 1.1104 1.0605 1.0810 0.0177 0.1311 0.0456 43 SER A C +237 O O . SER A 42 ? 1.1410 1.0823 1.0699 0.0209 0.1465 0.0377 43 SER A O +238 C CB . SER A 42 ? 1.1019 1.0595 1.1314 0.0192 0.1607 0.0655 43 SER A CB +239 O OG . SER A 42 ? 1.1288 1.0831 1.1108 0.0155 0.1463 0.0620 43 SER A OG +240 N N . LEU A 43 ? 1.0996 1.0520 1.0655 0.0131 0.1021 0.0446 44 LEU A N +241 C CA . LEU A 43 ? 1.0666 1.0135 0.9853 0.0117 0.0878 0.0353 44 LEU A CA +242 C C . LEU A 43 ? 1.0742 1.0171 0.9898 0.0154 0.0964 0.0284 44 LEU A C +243 O O . LEU A 43 ? 1.0802 1.0269 1.0316 0.0157 0.0881 0.0314 44 LEU A O +244 C CB . LEU A 43 ? 1.0216 0.9709 0.9458 0.0077 0.0583 0.0371 44 LEU A CB +245 C CG . LEU A 43 ? 0.9749 0.9254 0.8938 0.0039 0.0451 0.0402 44 LEU A CG +246 C CD1 . LEU A 43 ? 0.9739 0.9228 0.8920 0.0013 0.0168 0.0398 44 LEU A CD1 +247 C CD2 . LEU A 43 ? 0.9526 0.8987 0.8257 0.0033 0.0519 0.0357 44 LEU A CD2 +248 N N . LYS A 44 ? 1.0806 1.0152 0.9569 0.0181 0.1105 0.0198 45 LYS A N +249 C CA . LYS A 44 ? 1.0620 0.9904 0.9281 0.0211 0.1140 0.0105 45 LYS A CA +250 C C . LYS A 44 ? 1.0486 0.9792 0.9096 0.0177 0.0891 0.0102 45 LYS A C +251 O O . LYS A 44 ? 1.0146 0.9492 0.8725 0.0139 0.0724 0.0153 45 LYS A O +252 C CB . LYS A 44 ? 1.0566 0.9729 0.8767 0.0242 0.1290 0.0004 45 LYS A CB +253 N N . PRO A 45 ? 1.0852 1.0126 0.9485 0.0194 0.0866 0.0050 46 PRO A N +254 C CA . PRO A 45 ? 1.0427 0.9716 0.9021 0.0169 0.0657 0.0070 46 PRO A CA +255 C C . PRO A 45 ? 1.0153 0.9377 0.8316 0.0158 0.0617 0.0000 46 PRO A C +256 O O . PRO A 45 ? 1.0792 0.9951 0.8713 0.0173 0.0734 -0.0074 46 PRO A O +257 C CB . PRO A 45 ? 1.0707 0.9993 0.9603 0.0196 0.0677 0.0063 46 PRO A CB +258 C CG . PRO A 45 ? 1.1167 1.0389 1.0053 0.0242 0.0917 -0.0030 46 PRO A CG +259 C CD . PRO A 45 ? 1.1147 1.0361 0.9860 0.0243 0.1045 -0.0026 46 PRO A CD +260 N N . LEU A 46 ? 0.9627 0.8861 0.7718 0.0138 0.0458 0.0031 47 LEU A N +261 C CA . LEU A 46 ? 0.9474 0.8670 0.7222 0.0118 0.0391 0.0002 47 LEU A CA +262 C C . LEU A 46 ? 0.9304 0.8441 0.6994 0.0134 0.0406 -0.0062 47 LEU A C +263 O O . LEU A 46 ? 0.9332 0.8483 0.7196 0.0140 0.0346 -0.0022 47 LEU A O +264 C CB . LEU A 46 ? 0.9552 0.8780 0.7276 0.0096 0.0234 0.0082 47 LEU A CB +265 C CG . LEU A 46 ? 0.9787 0.8990 0.7210 0.0077 0.0180 0.0073 47 LEU A CG +266 C CD1 . LEU A 46 ? 0.9889 0.9087 0.7172 0.0065 0.0246 0.0037 47 LEU A CD1 +267 C CD2 . LEU A 46 ? 0.9850 0.9062 0.7233 0.0067 0.0048 0.0142 47 LEU A CD2 +268 N N . SER A 47 ? 0.9184 0.8246 0.6643 0.0139 0.0466 -0.0153 48 SER A N +269 C CA . SER A 47 ? 0.8784 0.7769 0.6195 0.0151 0.0451 -0.0230 48 SER A CA +270 C C . SER A 47 ? 0.8494 0.7465 0.5725 0.0124 0.0345 -0.0218 48 SER A C +271 O O . SER A 47 ? 0.8308 0.7282 0.5342 0.0104 0.0328 -0.0206 48 SER A O +272 C CB . SER A 47 ? 0.9022 0.7904 0.6308 0.0181 0.0565 -0.0350 48 SER A CB +273 O OG . SER A 47 ? 0.9499 0.8280 0.6601 0.0179 0.0501 -0.0436 48 SER A OG +274 N N . VAL A 48 ? 0.8512 0.7468 0.5856 0.0125 0.0284 -0.0210 49 VAL A N +275 C CA . VAL A 48 ? 0.8461 0.7415 0.5749 0.0105 0.0199 -0.0168 49 VAL A CA +276 C C . VAL A 48 ? 0.8799 0.7681 0.6201 0.0113 0.0166 -0.0229 49 VAL A C +277 O O . VAL A 48 ? 0.9094 0.7992 0.6737 0.0126 0.0161 -0.0191 49 VAL A O +278 C CB . VAL A 48 ? 0.8189 0.7215 0.5572 0.0102 0.0162 -0.0039 49 VAL A CB +279 C CG1 . VAL A 48 ? 0.8401 0.7417 0.5735 0.0092 0.0121 0.0006 49 VAL A CG1 +280 C CG2 . VAL A 48 ? 0.8133 0.7211 0.5427 0.0094 0.0159 0.0007 49 VAL A CG2 +281 N N . SER A 49 ? 0.9338 0.8135 0.6591 0.0105 0.0127 -0.0318 50 SER A N +282 C CA . SER A 49 ? 0.9670 0.8377 0.7051 0.0110 0.0063 -0.0392 50 SER A CA +283 C C . SER A 49 ? 0.9641 0.8360 0.7098 0.0086 -0.0021 -0.0327 50 SER A C +284 O O . SER A 49 ? 0.9562 0.8227 0.6857 0.0068 -0.0083 -0.0367 50 SER A O +285 C CB . SER A 49 ? 1.0120 0.8688 0.7287 0.0124 0.0059 -0.0549 50 SER A CB +286 O OG . SER A 49 ? 1.0497 0.8967 0.7834 0.0140 0.0006 -0.0642 50 SER A OG +287 N N . TYR A 50 ? 0.9831 0.8615 0.7535 0.0088 -0.0014 -0.0214 51 TYR A N +288 C CA . TYR A 50 ? 0.9852 0.8668 0.7656 0.0073 -0.0040 -0.0112 51 TYR A CA +289 C C . TYR A 50 ? 1.0209 0.8986 0.8350 0.0075 -0.0090 -0.0100 51 TYR A C +290 O O . TYR A 50 ? 0.9943 0.8747 0.8253 0.0070 -0.0087 0.0002 51 TYR A O +291 C CB . TYR A 50 ? 0.9371 0.8279 0.7144 0.0083 0.0033 0.0026 51 TYR A CB +292 C CG . TYR A 50 ? 0.9400 0.8342 0.6896 0.0075 0.0056 0.0034 51 TYR A CG +293 C CD1 . TYR A 50 ? 0.9417 0.8329 0.6710 0.0059 0.0033 -0.0058 51 TYR A CD1 +294 C CD2 . TYR A 50 ? 0.9594 0.8585 0.7025 0.0086 0.0098 0.0142 51 TYR A CD2 +295 C CE1 . TYR A 50 ? 0.9559 0.8508 0.6654 0.0050 0.0052 -0.0036 51 TYR A CE1 +296 C CE2 . TYR A 50 ? 0.9531 0.8542 0.6736 0.0079 0.0105 0.0144 51 TYR A CE2 +297 C CZ . TYR A 50 ? 0.9606 0.8605 0.6674 0.0059 0.0083 0.0057 51 TYR A CZ +298 O OH . TYR A 50 ? 0.9338 0.8360 0.6235 0.0053 0.0088 0.0072 51 TYR A OH +299 N N . ASP A 51 ? 1.1081 0.9786 0.9333 0.0086 -0.0128 -0.0205 52 ASP A N +300 C CA . ASP A 51 ? 1.1747 1.0412 1.0380 0.0092 -0.0176 -0.0201 52 ASP A CA +301 C C . ASP A 51 ? 1.1774 1.0374 1.0556 0.0070 -0.0291 -0.0224 52 ASP A C +302 O O . ASP A 51 ? 1.1978 1.0575 1.1154 0.0070 -0.0323 -0.0162 52 ASP A O +303 C CB . ASP A 51 ? 1.2760 1.1346 1.1427 0.0113 -0.0187 -0.0342 52 ASP A CB +304 C CG . ASP A 51 ? 1.3668 1.2248 1.2761 0.0128 -0.0195 -0.0307 52 ASP A CG +305 O OD1 . ASP A 51 ? 1.3511 1.2085 1.2917 0.0117 -0.0254 -0.0241 52 ASP A OD1 +306 O OD2 . ASP A 51 ? 1.4042 1.2623 1.3196 0.0152 -0.0139 -0.0342 52 ASP A OD2 +307 N N . GLN A 52 ? 1.1951 1.0503 1.0470 0.0051 -0.0357 -0.0295 53 GLN A N +308 C CA . GLN A 52 ? 1.1997 1.0472 1.0656 0.0026 -0.0501 -0.0324 53 GLN A CA +309 C C . GLN A 52 ? 1.1392 0.9937 0.9945 0.0007 -0.0472 -0.0227 53 GLN A C +310 O O . GLN A 52 ? 1.0766 0.9246 0.9356 -0.0015 -0.0598 -0.0259 53 GLN A O +311 C CB . GLN A 52 ? 1.2743 1.1049 1.1173 0.0022 -0.0648 -0.0523 53 GLN A CB +312 C CG . GLN A 52 ? 1.3435 1.1647 1.1963 0.0047 -0.0670 -0.0644 53 GLN A CG +313 C CD . GLN A 52 ? 1.4352 1.2443 1.2422 0.0068 -0.0666 -0.0814 53 GLN A CD +314 O OE1 . GLN A 52 ? 1.5600 1.3506 1.3518 0.0071 -0.0811 -0.0975 53 GLN A OE1 +315 N NE2 . GLN A 52 ? 1.4380 1.2562 1.2217 0.0084 -0.0502 -0.0775 53 GLN A NE2 +316 N N . ALA A 53 ? 1.1263 0.9922 0.9694 0.0020 -0.0322 -0.0116 54 ALA A N +317 C CA . ALA A 53 ? 1.1232 0.9957 0.9597 0.0012 -0.0265 -0.0018 54 ALA A CA +318 C C . ALA A 53 ? 1.1081 0.9806 0.9855 0.0004 -0.0292 0.0070 54 ALA A C +319 O O . ALA A 53 ? 1.1866 1.0611 1.0965 0.0019 -0.0247 0.0150 54 ALA A O +320 C CB . ALA A 53 ? 1.1265 1.0085 0.9486 0.0035 -0.0112 0.0082 54 ALA A CB +321 N N . THR A 54 ? 1.0500 0.9200 0.9296 -0.0018 -0.0367 0.0064 55 THR A N +322 C CA . THR A 54 ? 0.9861 0.8558 0.9100 -0.0028 -0.0404 0.0148 55 THR A CA +323 C C . THR A 54 ? 0.9670 0.8439 0.8875 -0.0019 -0.0271 0.0256 55 THR A C +324 O O . THR A 54 ? 0.9596 0.8340 0.8650 -0.0042 -0.0354 0.0206 55 THR A O +325 C CB . THR A 54 ? 0.9801 0.8381 0.9136 -0.0064 -0.0645 0.0036 55 THR A CB +326 O OG1 . THR A 54 ? 0.9980 0.8473 0.9413 -0.0063 -0.0757 -0.0061 55 THR A OG1 +327 C CG2 . THR A 54 ? 0.9855 0.8434 0.9659 -0.0081 -0.0706 0.0124 55 THR A CG2 +328 N N . SER A 55 ? 0.9494 0.8334 0.8810 0.0015 -0.0073 0.0395 56 SER A N +329 C CA . SER A 55 ? 0.9371 0.8253 0.8701 0.0034 0.0074 0.0496 56 SER A CA +330 C C . SER A 55 ? 0.9338 0.8202 0.9153 0.0018 0.0016 0.0546 56 SER A C +331 O O . SER A 55 ? 0.9710 0.8541 0.9904 0.0001 -0.0096 0.0545 56 SER A O +332 C CB . SER A 55 ? 0.9438 0.8362 0.8716 0.0084 0.0299 0.0628 56 SER A CB +333 O OG . SER A 55 ? 0.9902 0.8832 0.9611 0.0101 0.0364 0.0744 56 SER A OG +334 N N . LEU A 56 ? 0.9364 0.8245 0.9197 0.0022 0.0081 0.0585 57 LEU A N +335 C CA . LEU A 56 ? 0.9482 0.8349 0.9812 0.0004 0.0020 0.0637 57 LEU A CA +336 C C . LEU A 56 ? 0.9671 0.8584 1.0217 0.0054 0.0293 0.0789 57 LEU A C +337 O O . LEU A 56 ? 0.9923 0.8847 1.0968 0.0072 0.0382 0.0911 57 LEU A O +338 C CB . LEU A 56 ? 0.9454 0.8283 0.9612 -0.0036 -0.0166 0.0536 57 LEU A CB +339 C CG . LEU A 56 ? 0.9482 0.8231 0.9423 -0.0080 -0.0434 0.0391 57 LEU A CG +340 C CD1 . LEU A 56 ? 0.9592 0.8290 0.9417 -0.0117 -0.0611 0.0333 57 LEU A CD1 +341 C CD2 . LEU A 56 ? 0.9548 0.8238 0.9891 -0.0096 -0.0589 0.0378 57 LEU A CD2 +342 N N . ARG A 57 ? 1.0081 0.9007 1.0250 0.0080 0.0427 0.0779 58 ARG A N +343 C CA A ARG A 57 ? 1.0562 0.9499 1.0816 0.0133 0.0684 0.0882 58 ARG A CA +344 C C . ARG A 57 ? 1.0570 0.9498 1.0270 0.0182 0.0862 0.0878 58 ARG A C +345 O O . ARG A 57 ? 1.1288 1.0214 1.0569 0.0161 0.0744 0.0777 58 ARG A O +346 C CB A ARG A 57 ? 1.0366 0.9297 1.0707 0.0110 0.0615 0.0837 58 ARG A CB +347 N N . ILE A 58 ? 1.0465 0.9372 1.0164 0.0249 0.1133 0.0986 59 ILE A N +348 C CA . ILE A 58 ? 1.0582 0.9441 0.9734 0.0301 0.1288 0.0960 59 ILE A CA +349 C C . ILE A 58 ? 1.0666 0.9497 0.9957 0.0334 0.1442 0.0975 59 ILE A C +350 O O . ILE A 58 ? 1.1008 0.9845 1.0776 0.0360 0.1588 0.1090 59 ILE A O +351 C CB . ILE A 58 ? 1.1020 0.9836 0.9937 0.0367 0.1492 0.1068 59 ILE A CB +352 C CG1 . ILE A 58 ? 1.1329 1.0065 0.9639 0.0416 0.1592 0.1013 59 ILE A CG1 +353 C CG2 . ILE A 58 ? 1.1185 0.9991 1.0544 0.0419 0.1737 0.1242 59 ILE A CG2 +354 C CD1 . ILE A 58 ? 1.1585 1.0262 0.9508 0.0465 0.1684 0.1085 59 ILE A CD1 +355 N N . LEU A 59 ? 1.0822 0.9619 0.9744 0.0339 0.1426 0.0870 60 LEU A N +356 C CA . LEU A 59 ? 1.1399 1.0162 1.0476 0.0371 0.1567 0.0869 60 LEU A CA +357 C C . LEU A 59 ? 1.1787 1.0464 1.0306 0.0419 0.1665 0.0781 60 LEU A C +358 O O . LEU A 59 ? 1.2041 1.0722 1.0190 0.0383 0.1489 0.0673 60 LEU A O +359 C CB . LEU A 59 ? 1.1289 1.0111 1.0748 0.0298 0.1344 0.0819 60 LEU A CB +360 C CG . LEU A 59 ? 1.1391 1.0223 1.0509 0.0244 0.1118 0.0683 60 LEU A CG +361 C CD1 . LEU A 59 ? 1.1370 1.0171 1.0504 0.0259 0.1178 0.0637 60 LEU A CD1 +362 C CD2 . LEU A 59 ? 1.1500 1.0382 1.0828 0.0163 0.0832 0.0654 60 LEU A CD2 +363 N N . ASN A 60 ? 1.2461 1.1050 1.0929 0.0503 0.1948 0.0828 61 ASN A N +364 C CA . ASN A 60 ? 1.3171 1.1645 1.1172 0.0557 0.2053 0.0729 61 ASN A CA +365 C C . ASN A 60 ? 1.3161 1.1662 1.1429 0.0523 0.1971 0.0646 61 ASN A C +366 O O . ASN A 60 ? 1.3262 1.1781 1.2035 0.0539 0.2099 0.0716 61 ASN A O +367 C CB . ASN A 60 ? 1.3962 1.2305 1.1801 0.0669 0.2406 0.0808 61 ASN A CB +368 C CG . ASN A 60 ? 1.4448 1.2646 1.1903 0.0735 0.2536 0.0693 61 ASN A CG +369 O OD1 . ASN A 60 ? 1.4297 1.2471 1.1423 0.0704 0.2349 0.0550 61 ASN A OD1 +370 N ND2 . ASN A 60 ? 1.5396 1.3485 1.2896 0.0830 0.2869 0.0754 61 ASN A ND2 +371 N N . ASN A 61 ? 1.3306 1.1809 1.1283 0.0480 0.1769 0.0517 62 ASN A N +372 C CA . ASN A 61 ? 1.3731 1.2267 1.1936 0.0437 0.1647 0.0443 62 ASN A CA +373 C C . ASN A 61 ? 1.4221 1.2631 1.2155 0.0502 0.1795 0.0346 62 ASN A C +374 O O . ASN A 61 ? 1.4331 1.2752 1.2348 0.0468 0.1676 0.0265 62 ASN A O +375 C CB . ASN A 61 ? 1.3804 1.2418 1.1888 0.0348 0.1339 0.0375 62 ASN A CB +376 C CG . ASN A 61 ? 1.4217 1.2780 1.1735 0.0357 0.1277 0.0287 62 ASN A CG +377 O OD1 . ASN A 61 ? 1.4391 1.2927 1.1646 0.0384 0.1324 0.0318 62 ASN A OD1 +378 N ND2 . ASN A 61 ? 1.4432 1.2977 1.1797 0.0335 0.1163 0.0187 62 ASN A ND2 +379 N N . GLY A 62 ? 1.4393 1.2673 1.1993 0.0595 0.2039 0.0353 63 GLY A N +380 C CA . GLY A 62 ? 1.4532 1.2647 1.1807 0.0675 0.2206 0.0248 63 GLY A CA +381 C C . GLY A 62 ? 1.4668 1.2729 1.1475 0.0650 0.1996 0.0099 63 GLY A C +382 O O . GLY A 62 ? 1.5575 1.3535 1.2282 0.0682 0.2033 -0.0016 63 GLY A O +383 N N . HIS A 63 ? 1.4580 1.2708 1.1166 0.0593 0.1781 0.0101 64 HIS A N +384 C CA . HIS A 63 ? 1.4421 1.2493 1.0556 0.0575 0.1587 -0.0017 64 HIS A CA +385 C C . HIS A 63 ? 1.4209 1.2266 0.9990 0.0581 0.1536 0.0032 64 HIS A C +386 O O . HIS A 63 ? 1.4710 1.2640 1.0017 0.0613 0.1477 -0.0046 64 HIS A O +387 C CB . HIS A 63 ? 1.4363 1.2565 1.0739 0.0479 0.1332 -0.0061 64 HIS A CB +388 C CG . HIS A 63 ? 1.4999 1.3205 1.1708 0.0472 0.1359 -0.0103 64 HIS A CG +389 N ND1 . HIS A 63 ? 1.4981 1.3325 1.2161 0.0401 0.1252 -0.0042 64 HIS A ND1 +390 C CD2 . HIS A 63 ? 1.5368 1.3443 1.2012 0.0530 0.1477 -0.0198 64 HIS A CD2 +391 C CE1 . HIS A 63 ? 1.5124 1.3437 1.2549 0.0412 0.1298 -0.0083 64 HIS A CE1 +392 N NE2 . HIS A 63 ? 1.5283 1.3434 1.2402 0.0492 0.1446 -0.0184 64 HIS A NE2 +393 N N . ALA A 64 ? 1.3530 1.1704 0.9565 0.0551 0.1543 0.0157 65 ALA A N +394 C CA . ALA A 64 ? 1.3440 1.1629 0.9273 0.0550 0.1504 0.0235 65 ALA A CA +395 C C . ALA A 64 ? 1.2840 1.1146 0.9131 0.0529 0.1579 0.0372 65 ALA A C +396 O O . ALA A 64 ? 1.3226 1.1555 0.9896 0.0538 0.1700 0.0403 65 ALA A O +397 C CB . ALA A 64 ? 1.3482 1.1738 0.9181 0.0482 0.1235 0.0173 65 ALA A CB +398 N N . PHE A 65 ? 1.2168 1.0541 0.8476 0.0501 0.1500 0.0447 66 PHE A N +399 C CA . PHE A 65 ? 1.1824 1.0309 0.8616 0.0470 0.1520 0.0560 66 PHE A CA +400 C C . PHE A 65 ? 1.1171 0.9770 0.8059 0.0387 0.1267 0.0529 66 PHE A C +401 O O . PHE A 65 ? 1.1316 0.9904 0.7893 0.0379 0.1165 0.0500 66 PHE A O +402 C CB . PHE A 65 ? 1.1976 1.0410 0.8770 0.0535 0.1737 0.0704 66 PHE A CB +403 C CG . PHE A 65 ? 1.2078 1.0501 0.8586 0.0536 0.1662 0.0750 66 PHE A CG +404 C CD1 . PHE A 65 ? 1.1967 1.0504 0.8748 0.0476 0.1516 0.0790 66 PHE A CD1 +405 C CD2 . PHE A 65 ? 1.2563 1.0847 0.8524 0.0597 0.1720 0.0746 66 PHE A CD2 +406 C CE1 . PHE A 65 ? 1.1925 1.0456 0.8487 0.0477 0.1443 0.0831 66 PHE A CE1 +407 C CE2 . PHE A 65 ? 1.2606 1.0880 0.8337 0.0595 0.1626 0.0797 66 PHE A CE2 +408 C CZ . PHE A 65 ? 1.2200 1.0606 0.8258 0.0534 0.1497 0.0844 66 PHE A CZ +409 N N . ASN A 66 ? 1.0636 0.9328 0.7951 0.0331 0.1173 0.0535 67 ASN A N +410 C CA . ASN A 66 ? 1.0342 0.9120 0.7757 0.0256 0.0944 0.0492 67 ASN A CA +411 C C . ASN A 66 ? 0.9834 0.8657 0.7599 0.0242 0.0939 0.0579 67 ASN A C +412 O O . ASN A 66 ? 1.0254 0.9085 0.8401 0.0250 0.1015 0.0645 67 ASN A O +413 C CB . ASN A 66 ? 1.0810 0.9625 0.8408 0.0203 0.0809 0.0427 67 ASN A CB +414 C CG . ASN A 66 ? 1.1851 1.0634 0.9166 0.0204 0.0778 0.0337 67 ASN A CG +415 O OD1 . ASN A 66 ? 1.2599 1.1307 0.9650 0.0258 0.0899 0.0319 67 ASN A OD1 +416 N ND2 . ASN A 66 ? 1.1719 1.0544 0.9076 0.0147 0.0612 0.0281 67 ASN A ND2 +417 N N . VAL A 67 ? 0.9522 0.8371 0.7199 0.0222 0.0841 0.0575 68 VAL A N +418 C CA . VAL A 67 ? 0.9395 0.8287 0.7425 0.0192 0.0762 0.0616 68 VAL A CA +419 C C . VAL A 67 ? 0.9334 0.8253 0.7433 0.0126 0.0542 0.0514 68 VAL A C +420 O O . VAL A 67 ? 0.9468 0.8394 0.7270 0.0105 0.0444 0.0434 68 VAL A O +421 C CB . VAL A 67 ? 0.9582 0.8473 0.7478 0.0208 0.0776 0.0658 68 VAL A CB +422 C CG1 . VAL A 67 ? 0.9651 0.8575 0.7866 0.0170 0.0652 0.0656 68 VAL A CG1 +423 C CG2 . VAL A 67 ? 0.9792 0.8637 0.7625 0.0277 0.0996 0.0787 68 VAL A CG2 +424 N N . GLU A 68 ? 0.9189 0.8113 0.7663 0.0097 0.0467 0.0524 69 GLU A N +425 C CA . GLU A 68 ? 0.9175 0.8091 0.7692 0.0039 0.0245 0.0437 69 GLU A CA +426 C C . GLU A 68 ? 0.9129 0.8032 0.7696 0.0016 0.0114 0.0398 69 GLU A C +427 O O . GLU A 68 ? 0.9388 0.8297 0.8209 0.0036 0.0179 0.0468 69 GLU A O +428 C CB . GLU A 68 ? 0.9453 0.8359 0.8382 0.0021 0.0194 0.0476 69 GLU A CB +429 C CG . GLU A 68 ? 0.9631 0.8542 0.8586 0.0045 0.0322 0.0508 69 GLU A CG +430 N N . PHE A 69 ? 0.8909 0.7784 0.7256 -0.0018 -0.0048 0.0294 70 PHE A N +431 C CA . PHE A 69 ? 0.8938 0.7770 0.7318 -0.0036 -0.0181 0.0228 70 PHE A CA +432 C C . PHE A 69 ? 0.8950 0.7702 0.7326 -0.0078 -0.0400 0.0143 70 PHE A C +433 O O . PHE A 69 ? 0.8844 0.7581 0.7094 -0.0098 -0.0462 0.0129 70 PHE A O +434 C CB . PHE A 69 ? 0.8879 0.7724 0.6917 -0.0025 -0.0147 0.0171 70 PHE A CB +435 C CG . PHE A 69 ? 0.8796 0.7690 0.6821 0.0012 0.0008 0.0246 70 PHE A CG +436 C CD1 . PHE A 69 ? 0.9020 0.7948 0.6889 0.0039 0.0141 0.0304 70 PHE A CD1 +437 C CD2 . PHE A 69 ? 0.8887 0.7777 0.7023 0.0023 0.0009 0.0252 70 PHE A CD2 +438 C CE1 . PHE A 69 ? 0.8925 0.7871 0.6716 0.0076 0.0262 0.0374 70 PHE A CE1 +439 C CE2 . PHE A 69 ? 0.9004 0.7930 0.7112 0.0058 0.0137 0.0337 70 PHE A CE2 +440 C CZ . PHE A 69 ? 0.9019 0.7967 0.6929 0.0085 0.0257 0.0400 70 PHE A CZ +441 N N . ASP A 70 ? 0.9279 0.7962 0.7775 -0.0089 -0.0530 0.0085 71 ASP A N +442 C CA . ASP A 70 ? 0.9629 0.8191 0.8057 -0.0122 -0.0767 -0.0013 71 ASP A CA +443 C C . ASP A 70 ? 0.9697 0.8213 0.7609 -0.0120 -0.0781 -0.0116 71 ASP A C +444 O O . ASP A 70 ? 0.9831 0.8330 0.7628 -0.0101 -0.0741 -0.0177 71 ASP A O +445 C CB . ASP A 70 ? 0.9888 0.8371 0.8646 -0.0129 -0.0904 -0.0050 71 ASP A CB +446 C CG . ASP A 70 ? 1.0199 0.8516 0.8853 -0.0157 -0.1179 -0.0168 71 ASP A CG +447 O OD1 . ASP A 70 ? 1.0432 0.8692 0.8704 -0.0170 -0.1253 -0.0215 71 ASP A OD1 +448 O OD2 . ASP A 70 ? 1.0294 0.8528 0.9251 -0.0165 -0.1325 -0.0208 71 ASP A OD2 +449 N N . ASP A 71 ? 0.9746 0.8241 0.7398 -0.0137 -0.0826 -0.0124 72 ASP A N +450 C CA . ASP A 71 ? 0.9784 0.8231 0.6961 -0.0134 -0.0822 -0.0196 72 ASP A CA +451 C C . ASP A 71 ? 1.0038 0.8315 0.7014 -0.0153 -0.1041 -0.0279 72 ASP A C +452 O O . ASP A 71 ? 0.9902 0.8129 0.6499 -0.0156 -0.1051 -0.0297 72 ASP A O +453 C CB . ASP A 71 ? 0.9738 0.8278 0.6764 -0.0135 -0.0705 -0.0131 72 ASP A CB +454 C CG . ASP A 71 ? 1.0171 0.8710 0.7335 -0.0161 -0.0789 -0.0066 72 ASP A CG +455 O OD1 . ASP A 71 ? 1.0363 0.8891 0.7887 -0.0172 -0.0869 -0.0029 72 ASP A OD1 +456 O OD2 . ASP A 71 ? 1.0351 0.8905 0.7309 -0.0170 -0.0771 -0.0043 72 ASP A OD2 +457 N N . SER A 72 ? 0.9974 0.8152 0.7184 -0.0164 -0.1214 -0.0323 73 SER A N +458 C CA . SER A 72 ? 1.0679 0.8662 0.7722 -0.0184 -0.1476 -0.0402 73 SER A CA +459 C C . SER A 72 ? 1.1130 0.8965 0.7683 -0.0157 -0.1487 -0.0542 73 SER A C +460 O O . SER A 72 ? 1.1189 0.8848 0.7364 -0.0161 -0.1646 -0.0605 73 SER A O +461 C CB . SER A 72 ? 1.0852 0.8771 0.8360 -0.0204 -0.1673 -0.0405 73 SER A CB +462 O OG . SER A 72 ? 1.0850 0.8728 0.8493 -0.0184 -0.1670 -0.0488 73 SER A OG +463 N N . GLN A 73 ? 1.1655 0.9553 0.8217 -0.0126 -0.1314 -0.0581 74 GLN A N +464 C CA . GLN A 73 ? 1.2089 0.9874 0.8263 -0.0089 -0.1256 -0.0712 74 GLN A CA +465 C C . GLN A 73 ? 1.1877 0.9827 0.8137 -0.0063 -0.0999 -0.0674 74 GLN A C +466 O O . GLN A 73 ? 1.1302 0.9422 0.7903 -0.0073 -0.0907 -0.0560 74 GLN A O +467 C CB . GLN A 73 ? 1.2414 1.0014 0.8660 -0.0083 -0.1447 -0.0848 74 GLN A CB +468 C CG . GLN A 73 ? 1.2397 1.0061 0.9249 -0.0109 -0.1554 -0.0790 74 GLN A CG +469 C CD . GLN A 73 ? 1.2722 1.0245 0.9746 -0.0096 -0.1688 -0.0920 74 GLN A CD +470 O OE1 . GLN A 73 ? 1.2982 1.0271 0.9707 -0.0089 -0.1885 -0.1068 74 GLN A OE1 +471 N NE2 . GLN A 73 ? 1.1936 0.9586 0.9424 -0.0090 -0.1585 -0.0865 74 GLN A NE2 +472 N N . ASP A 74 ? 1.2067 0.9953 0.8034 -0.0026 -0.0893 -0.0766 75 ASP A N +473 C CA . ASP A 74 ? 1.2039 1.0061 0.8068 0.0000 -0.0666 -0.0735 75 ASP A CA +474 C C . ASP A 74 ? 1.1650 0.9728 0.8094 0.0007 -0.0656 -0.0737 75 ASP A C +475 O O . ASP A 74 ? 1.1687 0.9715 0.8125 0.0038 -0.0597 -0.0824 75 ASP A O +476 C CB . ASP A 74 ? 1.2746 1.0668 0.8372 0.0039 -0.0551 -0.0828 75 ASP A CB +477 C CG . ASP A 74 ? 1.2987 1.0868 0.8213 0.0037 -0.0514 -0.0793 75 ASP A CG +478 O OD1 . ASP A 74 ? 1.2721 1.0723 0.8023 0.0007 -0.0509 -0.0673 75 ASP A OD1 +479 O OD2 . ASP A 74 ? 1.3727 1.1447 0.8560 0.0072 -0.0476 -0.0885 75 ASP A OD2 +480 N N . LYS A 75 ? 1.1804 0.9989 0.8615 -0.0017 -0.0691 -0.0628 76 LYS A N +481 C CA . LYS A 75 ? 1.1703 0.9955 0.8951 -0.0012 -0.0672 -0.0582 76 LYS A CA +482 C C . LYS A 75 ? 1.0749 0.9178 0.8106 0.0000 -0.0485 -0.0456 76 LYS A C +483 O O . LYS A 75 ? 1.0687 0.9176 0.8364 0.0008 -0.0443 -0.0393 76 LYS A O +484 C CB . LYS A 75 ? 1.2235 1.0484 0.9829 -0.0041 -0.0807 -0.0520 76 LYS A CB +485 C CG . LYS A 75 ? 1.3084 1.1166 1.0828 -0.0049 -0.1019 -0.0631 76 LYS A CG +486 C CD . LYS A 75 ? 1.3308 1.1430 1.1592 -0.0072 -0.1104 -0.0534 76 LYS A CD +487 C CE . LYS A 75 ? 1.3057 1.1255 1.1433 -0.0097 -0.1109 -0.0414 76 LYS A CE +488 N NZ . LYS A 75 ? 1.3525 1.1576 1.1852 -0.0127 -0.1358 -0.0482 76 LYS A NZ +489 N N . ALA A 76 ? 0.9830 0.8331 0.6945 -0.0001 -0.0391 -0.0412 77 ALA A N +490 C CA . ALA A 76 ? 0.9116 0.7753 0.6276 0.0010 -0.0246 -0.0310 77 ALA A CA +491 C C . ALA A 76 ? 0.8620 0.7283 0.5476 0.0009 -0.0184 -0.0316 77 ALA A C +492 O O . ALA A 76 ? 0.8872 0.7547 0.5624 -0.0009 -0.0210 -0.0282 77 ALA A O +493 C CB . ALA A 76 ? 0.9004 0.7725 0.6385 0.0003 -0.0222 -0.0184 77 ALA A CB +494 N N . VAL A 77 ? 0.8316 0.6979 0.5068 0.0030 -0.0103 -0.0358 78 VAL A N +495 C CA . VAL A 77 ? 0.8185 0.6849 0.4671 0.0031 -0.0042 -0.0371 78 VAL A CA +496 C C . VAL A 77 ? 0.7994 0.6754 0.4558 0.0047 0.0069 -0.0321 78 VAL A C +497 O O . VAL A 77 ? 0.7993 0.6782 0.4757 0.0063 0.0093 -0.0310 78 VAL A O +498 C CB . VAL A 77 ? 0.8313 0.6832 0.4541 0.0045 -0.0057 -0.0488 78 VAL A CB +499 C CG1 . VAL A 77 ? 0.8451 0.6864 0.4567 0.0023 -0.0210 -0.0523 78 VAL A CG1 +500 C CG2 . VAL A 77 ? 0.8299 0.6751 0.4609 0.0078 -0.0019 -0.0580 78 VAL A CG2 +501 N N . LEU A 78 ? 0.7955 0.6755 0.4386 0.0041 0.0118 -0.0286 79 LEU A N +502 C CA . LEU A 78 ? 0.8004 0.6891 0.4518 0.0049 0.0197 -0.0231 79 LEU A CA +503 C C . LEU A 78 ? 0.8213 0.7063 0.4584 0.0062 0.0292 -0.0267 79 LEU A C +504 O O . LEU A 78 ? 0.8405 0.7226 0.4585 0.0048 0.0284 -0.0260 79 LEU A O +505 C CB . LEU A 78 ? 0.7948 0.6908 0.4468 0.0027 0.0158 -0.0149 79 LEU A CB +506 C CG . LEU A 78 ? 0.7970 0.7002 0.4567 0.0030 0.0196 -0.0096 79 LEU A CG +507 C CD1 . LEU A 78 ? 0.8183 0.7241 0.4974 0.0051 0.0217 -0.0084 79 LEU A CD1 +508 C CD2 . LEU A 78 ? 0.7964 0.7037 0.4548 0.0015 0.0141 -0.0038 79 LEU A CD2 +509 N N . LYS A 79 ? 0.8455 0.7302 0.4931 0.0092 0.0389 -0.0296 80 LYS A N +510 C CA . LYS A 79 ? 0.8886 0.7705 0.5279 0.0115 0.0529 -0.0309 80 LYS A CA +511 C C . LYS A 79 ? 0.8940 0.7868 0.5629 0.0121 0.0593 -0.0235 80 LYS A C +512 O O . LYS A 79 ? 0.8807 0.7813 0.5701 0.0107 0.0507 -0.0180 80 LYS A O +513 C CB . LYS A 79 ? 0.9379 0.8067 0.5651 0.0156 0.0613 -0.0424 80 LYS A CB +514 C CG . LYS A 79 ? 0.9595 0.8134 0.5569 0.0156 0.0526 -0.0522 80 LYS A CG +515 C CD . LYS A 79 ? 0.9762 0.8186 0.5757 0.0193 0.0542 -0.0648 80 LYS A CD +516 C CE . LYS A 79 ? 1.0193 0.8408 0.5791 0.0220 0.0538 -0.0776 80 LYS A CE +517 N NZ . LYS A 79 ? 1.0362 0.8516 0.5782 0.0183 0.0344 -0.0782 80 LYS A NZ +518 N N . GLY A 80 ? 0.9246 0.8165 0.5959 0.0145 0.0743 -0.0228 81 GLY A N +519 C CA . GLY A 80 ? 0.9367 0.8379 0.6427 0.0154 0.0812 -0.0159 81 GLY A CA +520 C C . GLY A 80 ? 0.9622 0.8731 0.6798 0.0116 0.0704 -0.0063 81 GLY A C +521 O O . GLY A 80 ? 0.9983 0.9082 0.6946 0.0091 0.0650 -0.0049 81 GLY A O +522 N N . GLY A 81 ? 0.9595 0.8783 0.7101 0.0113 0.0657 -0.0003 82 GLY A N +523 C CA . GLY A 81 ? 0.9165 0.8424 0.6820 0.0084 0.0559 0.0077 82 GLY A CA +524 C C . GLY A 81 ? 0.9335 0.8599 0.6967 0.0081 0.0670 0.0111 82 GLY A C +525 O O . GLY A 81 ? 0.9531 0.8768 0.7186 0.0111 0.0852 0.0104 82 GLY A O +526 N N . PRO A 82 ? 0.9064 0.8349 0.6622 0.0049 0.0574 0.0147 83 PRO A N +527 C CA . PRO A 82 ? 0.8980 0.8273 0.6547 0.0043 0.0667 0.0199 83 PRO A CA +528 C C . PRO A 82 ? 0.9031 0.8245 0.6216 0.0051 0.0760 0.0167 83 PRO A C +529 O O . PRO A 82 ? 0.9499 0.8711 0.6666 0.0049 0.0848 0.0224 83 PRO A O +530 C CB . PRO A 82 ? 0.8806 0.8134 0.6418 0.0006 0.0492 0.0230 83 PRO A CB +531 C CG . PRO A 82 ? 0.8763 0.8053 0.6119 0.0000 0.0372 0.0167 83 PRO A CG +532 C CD . PRO A 82 ? 0.8824 0.8112 0.6275 0.0023 0.0390 0.0140 83 PRO A CD +533 N N . LEU A 83 ? 0.8845 0.7992 0.5755 0.0056 0.0718 0.0086 84 LEU A N +534 C CA . LEU A 83 ? 0.9083 0.8146 0.5624 0.0049 0.0706 0.0057 84 LEU A CA +535 C C . LEU A 83 ? 0.9218 0.8174 0.5521 0.0087 0.0871 0.0023 84 LEU A C +536 O O . LEU A 83 ? 0.9212 0.8132 0.5556 0.0121 0.0948 -0.0038 84 LEU A O +537 C CB . LEU A 83 ? 0.9047 0.8077 0.5451 0.0037 0.0567 -0.0010 84 LEU A CB +538 C CG . LEU A 83 ? 0.8590 0.7689 0.5152 0.0015 0.0428 0.0006 84 LEU A CG +539 C CD1 . LEU A 83 ? 0.8594 0.7653 0.5080 0.0020 0.0362 -0.0051 84 LEU A CD1 +540 C CD2 . LEU A 83 ? 0.8593 0.7713 0.5109 -0.0015 0.0344 0.0046 84 LEU A CD2 +541 N N . ASP A 84 ? 0.9458 0.8346 0.5489 0.0085 0.0911 0.0056 85 ASP A N +542 C CA . ASP A 84 ? 0.9971 0.8703 0.5617 0.0125 0.1034 0.0012 85 ASP A CA +543 C C . ASP A 84 ? 0.9912 0.8536 0.5240 0.0111 0.0868 -0.0075 85 ASP A C +544 O O . ASP A 84 ? 0.9888 0.8514 0.5115 0.0074 0.0735 -0.0032 85 ASP A O +545 C CB . ASP A 84 ? 0.9993 0.8687 0.5487 0.0134 0.1168 0.0117 85 ASP A CB +546 N N . GLY A 85 ? 0.9949 0.8490 0.5193 0.0139 0.0864 -0.0191 86 GLY A N +547 C CA . GLY A 85 ? 1.0232 0.8644 0.5210 0.0134 0.0711 -0.0290 86 GLY A CA +548 C C . GLY A 85 ? 1.0220 0.8704 0.5455 0.0109 0.0560 -0.0332 86 GLY A C +549 O O . GLY A 85 ? 1.0036 0.8638 0.5601 0.0110 0.0600 -0.0312 86 GLY A O +550 N N . THR A 86 ? 1.0190 0.8594 0.5285 0.0088 0.0390 -0.0380 87 THR A N +551 C CA . THR A 86 ? 0.9604 0.8042 0.4914 0.0067 0.0247 -0.0416 87 THR A CA +552 C C . THR A 86 ? 0.9069 0.7590 0.4491 0.0022 0.0125 -0.0334 87 THR A C +553 O O . THR A 86 ? 0.8480 0.6939 0.3710 0.0003 0.0048 -0.0309 87 THR A O +554 C CB . THR A 86 ? 1.0026 0.8289 0.5145 0.0082 0.0145 -0.0538 87 THR A CB +555 O OG1 . THR A 86 ? 1.0271 0.8426 0.5207 0.0132 0.0285 -0.0623 87 THR A OG1 +556 C CG2 . THR A 86 ? 0.9948 0.8241 0.5352 0.0069 0.0032 -0.0573 87 THR A CG2 +557 N N . TYR A 87 ? 0.8755 0.7400 0.4471 0.0010 0.0110 -0.0291 88 TYR A N +558 C CA . TYR A 87 ? 0.8348 0.7064 0.4189 -0.0021 0.0023 -0.0223 88 TYR A CA +559 C C . TYR A 87 ? 0.8377 0.7081 0.4384 -0.0026 -0.0065 -0.0247 88 TYR A C +560 O O . TYR A 87 ? 0.8833 0.7544 0.4958 -0.0006 -0.0033 -0.0279 88 TYR A O +561 C CB . TYR A 87 ? 0.8029 0.6867 0.4016 -0.0025 0.0088 -0.0152 88 TYR A CB +562 C CG . TYR A 87 ? 0.7883 0.6740 0.3781 -0.0030 0.0152 -0.0106 88 TYR A CG +563 C CD1 . TYR A 87 ? 0.8323 0.7160 0.4157 -0.0006 0.0267 -0.0116 88 TYR A CD1 +564 C CD2 . TYR A 87 ? 0.7625 0.6520 0.3543 -0.0055 0.0111 -0.0047 88 TYR A CD2 +565 C CE1 . TYR A 87 ? 0.8543 0.7402 0.4346 -0.0009 0.0346 -0.0054 88 TYR A CE1 +566 C CE2 . TYR A 87 ? 0.7939 0.6858 0.3833 -0.0060 0.0170 0.0007 88 TYR A CE2 +567 C CZ . TYR A 87 ? 0.8386 0.7291 0.4229 -0.0038 0.0290 0.0012 88 TYR A CZ +568 O OH . TYR A 87 ? 0.8558 0.7484 0.4412 -0.0041 0.0366 0.0085 88 TYR A OH +569 N N . ARG A 88 ? 0.8483 0.7161 0.4525 -0.0049 -0.0172 -0.0227 89 ARG A N +570 C CA . ARG A 88 ? 0.8444 0.7102 0.4698 -0.0054 -0.0257 -0.0237 89 ARG A CA +571 C C . ARG A 88 ? 0.8175 0.6939 0.4655 -0.0056 -0.0214 -0.0152 89 ARG A C +572 O O . ARG A 88 ? 0.8160 0.6967 0.4613 -0.0068 -0.0200 -0.0103 89 ARG A O +573 C CB . ARG A 88 ? 0.8714 0.7263 0.4908 -0.0076 -0.0410 -0.0265 89 ARG A CB +574 C CG . ARG A 88 ? 0.9163 0.7565 0.5206 -0.0063 -0.0490 -0.0374 89 ARG A CG +575 C CD . ARG A 88 ? 0.9516 0.7792 0.5568 -0.0086 -0.0692 -0.0405 89 ARG A CD +576 N NE . ARG A 88 ? 1.0024 0.8121 0.5722 -0.0069 -0.0758 -0.0517 89 ARG A NE +577 C CZ . ARG A 88 ? 1.0475 0.8414 0.5941 -0.0082 -0.0930 -0.0552 89 ARG A CZ +578 N NH1 . ARG A 88 ? 1.0510 0.8461 0.6121 -0.0118 -0.1067 -0.0476 89 ARG A NH1 +579 N NH2 . ARG A 88 ? 1.1184 0.8939 0.6259 -0.0055 -0.0965 -0.0663 89 ARG A NH2 +580 N N . LEU A 89 ? 0.8068 0.6862 0.4752 -0.0041 -0.0185 -0.0133 90 LEU A N +581 C CA . LEU A 89 ? 0.8060 0.6924 0.4912 -0.0033 -0.0126 -0.0048 90 LEU A CA +582 C C . LEU A 89 ? 0.8364 0.7206 0.5366 -0.0050 -0.0187 -0.0017 90 LEU A C +583 O O . LEU A 89 ? 0.8560 0.7343 0.5710 -0.0061 -0.0280 -0.0041 90 LEU A O +584 C CB . LEU A 89 ? 0.7972 0.6857 0.5002 -0.0010 -0.0078 -0.0016 90 LEU A CB +585 C CG . LEU A 89 ? 0.7831 0.6763 0.4964 0.0008 0.0006 0.0081 90 LEU A CG +586 C CD1 . LEU A 89 ? 0.7760 0.6728 0.4690 0.0017 0.0059 0.0098 90 LEU A CD1 +587 C CD2 . LEU A 89 ? 0.7934 0.6877 0.5240 0.0033 0.0055 0.0136 90 LEU A CD2 +588 N N . ILE A 90 ? 0.8517 0.7395 0.5512 -0.0052 -0.0147 0.0030 91 ILE A N +589 C CA . ILE A 90 ? 0.8461 0.7324 0.5657 -0.0065 -0.0188 0.0069 91 ILE A CA +590 C C . ILE A 90 ? 0.8535 0.7440 0.5910 -0.0034 -0.0059 0.0145 91 ILE A C +591 O O . ILE A 90 ? 0.8383 0.7277 0.6055 -0.0032 -0.0057 0.0193 91 ILE A O +592 C CB . ILE A 90 ? 0.8474 0.7327 0.5539 -0.0089 -0.0244 0.0061 91 ILE A CB +593 C CG1 . ILE A 90 ? 0.8898 0.7739 0.6215 -0.0102 -0.0289 0.0109 91 ILE A CG1 +594 C CG2 . ILE A 90 ? 0.8278 0.7179 0.5157 -0.0078 -0.0156 0.0065 91 ILE A CG2 +595 C CD1 . ILE A 90 ? 0.9259 0.8047 0.6501 -0.0138 -0.0436 0.0097 91 ILE A CD1 +596 N N . GLN A 91 ? 0.8686 0.7622 0.5892 -0.0008 0.0047 0.0161 92 GLN A N +597 C CA . GLN A 91 ? 0.8964 0.7905 0.6253 0.0032 0.0184 0.0232 92 GLN A CA +598 C C . GLN A 91 ? 0.8761 0.7706 0.5793 0.0061 0.0252 0.0235 92 GLN A C +599 O O . GLN A 91 ? 0.8576 0.7535 0.5426 0.0045 0.0192 0.0183 92 GLN A O +600 C CB . GLN A 91 ? 0.9434 0.8364 0.6825 0.0037 0.0230 0.0254 92 GLN A CB +601 C CG . GLN A 91 ? 0.9644 0.8575 0.6850 0.0018 0.0181 0.0202 92 GLN A CG +602 C CD . GLN A 91 ? 1.0288 0.9200 0.7322 0.0057 0.0294 0.0201 92 GLN A CD +603 O OE1 . GLN A 91 ? 1.1249 1.0136 0.8228 0.0101 0.0405 0.0239 92 GLN A OE1 +604 N NE2 . GLN A 91 ? 1.0630 0.9537 0.7559 0.0045 0.0259 0.0158 92 GLN A NE2 +605 N N . PHE A 92 ? 0.9093 0.8018 0.6125 0.0104 0.0373 0.0302 93 PHE A N +606 C CA . PHE A 92 ? 0.9786 0.8680 0.6529 0.0139 0.0424 0.0309 93 PHE A CA +607 C C . PHE A 92 ? 1.0275 0.9107 0.6958 0.0189 0.0571 0.0357 93 PHE A C +608 O O . PHE A 92 ? 1.1117 0.9945 0.8034 0.0205 0.0668 0.0419 93 PHE A O +609 C CB . PHE A 92 ? 0.9923 0.8826 0.6618 0.0148 0.0406 0.0343 93 PHE A CB +610 C CG . PHE A 92 ? 1.0145 0.9027 0.6958 0.0185 0.0513 0.0449 93 PHE A CG +611 C CD1 . PHE A 92 ? 1.0355 0.9169 0.6964 0.0239 0.0631 0.0518 93 PHE A CD1 +612 C CD2 . PHE A 92 ? 1.0106 0.9022 0.7222 0.0169 0.0496 0.0481 93 PHE A CD2 +613 C CE1 . PHE A 92 ? 1.0456 0.9245 0.7169 0.0278 0.0752 0.0640 93 PHE A CE1 +614 C CE2 . PHE A 92 ? 1.0387 0.9288 0.7662 0.0202 0.0601 0.0597 93 PHE A CE2 +615 C CZ . PHE A 92 ? 1.0596 0.9440 0.7672 0.0257 0.0740 0.0687 93 PHE A CZ +616 N N . HIS A 93 ? 1.0640 0.9413 0.7020 0.0217 0.0586 0.0324 94 HIS A N +617 C CA . HIS A 93 ? 1.1221 0.9897 0.7439 0.0277 0.0733 0.0344 94 HIS A CA +618 C C . HIS A 93 ? 1.1394 0.9982 0.7207 0.0309 0.0695 0.0314 94 HIS A C +619 O O . HIS A 93 ? 1.0924 0.9549 0.6674 0.0273 0.0542 0.0271 94 HIS A O +620 C CB . HIS A 93 ? 1.1503 1.0177 0.7838 0.0266 0.0750 0.0286 94 HIS A CB +621 C CG . HIS A 93 ? 1.1673 1.0362 0.7883 0.0228 0.0603 0.0190 94 HIS A CG +622 N ND1 . HIS A 93 ? 1.1654 1.0428 0.7961 0.0171 0.0463 0.0170 94 HIS A ND1 +623 C CD2 . HIS A 93 ? 1.2340 1.0960 0.8338 0.0244 0.0578 0.0114 94 HIS A CD2 +624 C CE1 . HIS A 93 ? 1.2521 1.1293 0.8721 0.0150 0.0372 0.0102 94 HIS A CE1 +625 N NE2 . HIS A 93 ? 1.2735 1.1417 0.8758 0.0191 0.0424 0.0064 94 HIS A NE2 +626 N N . PHE A 94 ? 1.1328 0.9788 0.6878 0.0377 0.0826 0.0334 95 PHE A N +627 C CA . PHE A 94 ? 1.1730 1.0065 0.6844 0.0415 0.0768 0.0304 95 PHE A CA +628 C C . PHE A 94 ? 1.2536 1.0749 0.7407 0.0448 0.0786 0.0197 95 PHE A C +629 O O . PHE A 94 ? 1.2613 1.0815 0.7622 0.0467 0.0928 0.0183 95 PHE A O +630 C CB . PHE A 94 ? 1.2153 1.0392 0.7059 0.0480 0.0904 0.0421 95 PHE A CB +631 C CG . PHE A 94 ? 1.1779 1.0124 0.6955 0.0455 0.0903 0.0535 95 PHE A CG +632 C CD1 . PHE A 94 ? 1.1770 1.0195 0.7330 0.0449 0.1034 0.0610 95 PHE A CD1 +633 C CD2 . PHE A 94 ? 1.1946 1.0301 0.7024 0.0439 0.0764 0.0567 95 PHE A CD2 +634 C CE1 . PHE A 94 ? 1.1797 1.0304 0.7623 0.0428 0.1023 0.0706 95 PHE A CE1 +635 C CE2 . PHE A 94 ? 1.2068 1.0510 0.7413 0.0421 0.0769 0.0667 95 PHE A CE2 +636 C CZ . PHE A 94 ? 1.1958 1.0472 0.7668 0.0416 0.0897 0.0731 95 PHE A CZ +637 N N . HIS A 95 ? 1.3477 1.1595 0.8026 0.0455 0.0637 0.0125 96 HIS A N +638 C CA . HIS A 95 ? 1.4708 1.2639 0.8883 0.0508 0.0636 0.0020 96 HIS A CA +639 C C . HIS A 95 ? 1.5272 1.3019 0.8952 0.0573 0.0622 0.0055 96 HIS A C +640 O O . HIS A 95 ? 1.4896 1.2685 0.8563 0.0548 0.0489 0.0121 96 HIS A O +641 C CB . HIS A 95 ? 1.4831 1.2793 0.9091 0.0455 0.0433 -0.0101 96 HIS A CB +642 C CG . HIS A 95 ? 1.4926 1.3074 0.9643 0.0385 0.0420 -0.0101 96 HIS A CG +643 N ND1 . HIS A 95 ? 1.5618 1.3788 1.0538 0.0388 0.0541 -0.0124 96 HIS A ND1 +644 C CD2 . HIS A 95 ? 1.4713 1.3019 0.9708 0.0315 0.0304 -0.0072 96 HIS A CD2 +645 C CE1 . HIS A 95 ? 1.4644 1.2972 0.9923 0.0319 0.0477 -0.0106 96 HIS A CE1 +646 N NE2 . HIS A 95 ? 1.4551 1.2958 0.9855 0.0277 0.0342 -0.0079 96 HIS A NE2 +647 N N . TRP A 96 ? 1.6054 1.3590 0.9330 0.0658 0.0755 0.0013 97 TRP A N +648 C CA . TRP A 96 ? 1.7173 1.4490 0.9890 0.0738 0.0783 0.0061 97 TRP A CA +649 C C . TRP A 96 ? 1.7641 1.4692 0.9867 0.0825 0.0867 -0.0062 97 TRP A C +650 O O . TRP A 96 ? 1.7215 1.4277 0.9619 0.0836 0.1009 -0.0140 97 TRP A O +651 C CB . TRP A 96 ? 1.7460 1.4816 1.0241 0.0773 0.1007 0.0247 97 TRP A CB +652 C CG . TRP A 96 ? 1.7503 1.4861 1.0451 0.0821 0.1322 0.0287 97 TRP A CG +653 C CD1 . TRP A 96 ? 1.7893 1.5043 1.0458 0.0926 0.1573 0.0308 97 TRP A CD1 +654 C CD2 . TRP A 96 ? 1.7140 1.4707 1.0699 0.0769 0.1422 0.0319 97 TRP A CD2 +655 N NE1 . TRP A 96 ? 1.7790 1.5021 1.0743 0.0942 0.1836 0.0356 97 TRP A NE1 +656 C CE2 . TRP A 96 ? 1.7125 1.4609 1.0696 0.0845 0.1731 0.0364 97 TRP A CE2 +657 C CE3 . TRP A 96 ? 1.6092 1.3890 1.0171 0.0672 0.1281 0.0313 97 TRP A CE3 +658 C CZ2 . TRP A 96 ? 1.7032 1.4666 1.1169 0.0819 0.1874 0.0410 97 TRP A CZ2 +659 C CZ3 . TRP A 96 ? 1.6084 1.4010 1.0648 0.0648 0.1410 0.0350 97 TRP A CZ3 +660 C CH2 . TRP A 96 ? 1.6584 1.4435 1.1204 0.0718 0.1689 0.0399 97 TRP A CH2 +661 N N . GLY A 97 ? 1.8859 1.5665 1.0481 0.0889 0.0787 -0.0075 98 GLY A N +662 C CA . GLY A 97 ? 2.0224 1.6727 1.1274 0.0969 0.0774 -0.0233 98 GLY A CA +663 C C . GLY A 97 ? 2.0916 1.7170 1.1423 0.1095 0.1073 -0.0179 98 GLY A C +664 O O . GLY A 97 ? 2.0949 1.7303 1.1653 0.1118 0.1347 -0.0012 98 GLY A O +665 N N . SER A 98 ? 2.1038 1.6963 1.0882 0.1178 0.1024 -0.0318 99 SER A N +666 C CA . SER A 98 ? 2.1307 1.6919 1.0474 0.1318 0.1303 -0.0297 99 SER A CA +667 C C . SER A 98 ? 2.1513 1.6904 1.0025 0.1361 0.1130 -0.0214 99 SER A C +668 O O . SER A 98 ? 2.1107 1.6500 0.9502 0.1403 0.1331 -0.0004 99 SER A O +669 C CB . SER A 98 ? 2.1494 1.6861 1.0340 0.1389 0.1375 -0.0524 99 SER A CB +670 N N . LEU A 99 ? 2.1795 1.6993 0.9916 0.1352 0.0765 -0.0365 100 LEU A N +671 C CA . LEU A 99 ? 2.1832 1.6930 0.9618 0.1333 0.0433 -0.0288 100 LEU A CA +672 C C . LEU A 99 ? 2.1152 1.6627 0.9720 0.1193 0.0211 -0.0202 100 LEU A C +673 O O . LEU A 99 ? 1.9889 1.5631 0.9113 0.1119 0.0260 -0.0259 100 LEU A O +674 C CB . LEU A 99 ? 2.1664 1.6412 0.8826 0.1372 0.0110 -0.0503 100 LEU A CB +675 N N . ASP A 100 ? 2.1391 1.6878 0.9891 0.1162 -0.0019 -0.0070 101 ASP A N +676 C CA . ASP A 100 ? 2.0808 1.6643 1.0012 0.1054 -0.0122 0.0073 101 ASP A CA +677 C C . ASP A 100 ? 2.0525 1.6430 1.0003 0.0963 -0.0548 -0.0016 101 ASP A C +678 O O . ASP A 100 ? 1.9113 1.5308 0.9211 0.0873 -0.0630 0.0071 101 ASP A O +679 C CB . ASP A 100 ? 2.0842 1.6671 0.9890 0.1088 -0.0005 0.0318 101 ASP A CB +680 C CG . ASP A 100 ? 2.0816 1.6603 0.9709 0.1174 0.0440 0.0426 101 ASP A CG +681 O OD1 . ASP A 100 ? 2.0194 1.6058 0.9328 0.1180 0.0668 0.0330 101 ASP A OD1 +682 O OD2 . ASP A 100 ? 2.1095 1.6767 0.9650 0.1235 0.0558 0.0615 101 ASP A OD2 +683 N N . GLY A 101 ? 2.1040 1.6688 1.0111 0.0988 -0.0807 -0.0191 102 GLY A N +684 C CA . GLY A 101 ? 2.0363 1.6065 0.9759 0.0905 -0.1200 -0.0299 102 GLY A CA +685 C C . GLY A 101 ? 1.9660 1.5510 0.9515 0.0855 -0.1162 -0.0462 102 GLY A C +686 O O . GLY A 101 ? 1.9319 1.5127 0.9319 0.0812 -0.1464 -0.0594 102 GLY A O +687 N N . GLN A 102 ? 1.9515 1.5511 0.9583 0.0867 -0.0808 -0.0449 103 GLN A N +688 C CA . GLN A 102 ? 1.9278 1.5503 0.9938 0.0803 -0.0727 -0.0538 103 GLN A CA +689 C C . GLN A 102 ? 1.9185 1.5624 1.0154 0.0803 -0.0356 -0.0420 103 GLN A C +690 O O . GLN A 102 ? 2.0371 1.6685 1.0966 0.0885 -0.0109 -0.0344 103 GLN A O +691 C CB . GLN A 102 ? 1.9006 1.5012 0.9410 0.0844 -0.0780 -0.0759 103 GLN A CB +692 C CG . GLN A 102 ? 1.9022 1.4813 0.8935 0.0953 -0.0466 -0.0812 103 GLN A CG +693 C CD . GLN A 102 ? 1.9544 1.5021 0.9031 0.1010 -0.0600 -0.1047 103 GLN A CD +694 O OE1 . GLN A 102 ? 1.8784 1.4300 0.8586 0.0952 -0.0831 -0.1180 103 GLN A OE1 +695 N NE2 . GLN A 102 ? 2.0261 1.5408 0.9016 0.1129 -0.0452 -0.1100 103 GLN A NE2 +696 N N . GLY A 103 ? 1.7705 1.4442 0.9329 0.0718 -0.0322 -0.0399 104 GLY A N +697 C CA . GLY A 103 ? 1.6894 1.3840 0.8881 0.0706 -0.0026 -0.0294 104 GLY A CA +698 C C . GLY A 103 ? 1.5548 1.2804 0.8181 0.0604 -0.0088 -0.0236 104 GLY A C +699 O O . GLY A 103 ? 1.4946 1.2369 0.7925 0.0584 0.0108 -0.0183 104 GLY A O +700 N N . SER A 104 ? 1.4475 1.1793 0.7267 0.0547 -0.0348 -0.0238 105 SER A N +701 C CA . SER A 104 ? 1.3520 1.1103 0.6882 0.0458 -0.0409 -0.0196 105 SER A CA +702 C C . SER A 104 ? 1.3084 1.0721 0.6706 0.0416 -0.0471 -0.0317 105 SER A C +703 O O . SER A 104 ? 1.2800 1.0257 0.6179 0.0444 -0.0589 -0.0440 105 SER A O +704 C CB . SER A 104 ? 1.3459 1.1074 0.6900 0.0425 -0.0627 -0.0132 105 SER A CB +705 O OG . SER A 104 ? 1.3585 1.1078 0.6939 0.0415 -0.0891 -0.0232 105 SER A OG +706 N N . GLU A 105 ? 1.2309 1.0167 0.6390 0.0355 -0.0401 -0.0283 106 GLU A N +707 C CA . GLU A 105 ? 1.1824 0.9760 0.6209 0.0306 -0.0467 -0.0362 106 GLU A CA +708 C C . GLU A 105 ? 1.1507 0.9465 0.6056 0.0262 -0.0713 -0.0376 106 GLU A C +709 O O . GLU A 105 ? 1.1541 0.9384 0.6042 0.0265 -0.0864 -0.0478 106 GLU A O +710 C CB . GLU A 105 ? 1.1860 0.9990 0.6603 0.0265 -0.0310 -0.0309 106 GLU A CB +711 C CG . GLU A 105 ? 1.2231 1.0332 0.6891 0.0307 -0.0086 -0.0295 106 GLU A CG +712 C CD . GLU A 105 ? 1.2268 1.0388 0.7109 0.0299 -0.0002 -0.0353 106 GLU A CD +713 O OE1 . GLU A 105 ? 1.1964 1.0135 0.6928 0.0309 0.0167 -0.0305 106 GLU A OE1 +714 O OE2 . GLU A 105 ? 1.2803 1.0882 0.7697 0.0284 -0.0111 -0.0441 106 GLU A OE2 +715 N N . HIS A 106 ? 1.1053 0.9135 0.5806 0.0228 -0.0761 -0.0282 107 HIS A N +716 C CA . HIS A 106 ? 1.1256 0.9370 0.6253 0.0187 -0.0978 -0.0282 107 HIS A CA +717 C C . HIS A 106 ? 1.2017 0.9941 0.6699 0.0223 -0.1178 -0.0297 107 HIS A C +718 O O . HIS A 106 ? 1.2714 1.0513 0.6989 0.0278 -0.1109 -0.0276 107 HIS A O +719 C CB . HIS A 106 ? 1.0913 0.9230 0.6294 0.0139 -0.0933 -0.0181 107 HIS A CB +720 C CG . HIS A 106 ? 1.0427 0.8907 0.6109 0.0099 -0.0793 -0.0168 107 HIS A CG +721 N ND1 . HIS A 106 ? 1.0303 0.8854 0.5958 0.0104 -0.0603 -0.0135 107 HIS A ND1 +722 C CD2 . HIS A 106 ? 1.0268 0.8845 0.6285 0.0055 -0.0822 -0.0169 107 HIS A CD2 +723 C CE1 . HIS A 106 ? 1.0072 0.8744 0.5987 0.0064 -0.0538 -0.0125 107 HIS A CE1 +724 N NE2 . HIS A 106 ? 0.9934 0.8625 0.6062 0.0036 -0.0653 -0.0139 107 HIS A NE2 +725 N N . THR A 107 ? 1.2348 1.0243 0.7222 0.0195 -0.1419 -0.0321 108 THR A N +726 C CA . THR A 107 ? 1.2787 1.0480 0.7396 0.0222 -0.1681 -0.0343 108 THR A CA +727 C C . THR A 107 ? 1.2791 1.0593 0.7858 0.0171 -0.1865 -0.0267 108 THR A C +728 O O . THR A 107 ? 1.2247 1.0232 0.7811 0.0120 -0.1816 -0.0244 108 THR A O +729 C CB . THR A 107 ? 1.3091 1.0550 0.7392 0.0255 -0.1826 -0.0498 108 THR A CB +730 O OG1 . THR A 107 ? 1.2684 1.0200 0.7412 0.0205 -0.1961 -0.0562 108 THR A OG1 +731 C CG2 . THR A 107 ? 1.3037 1.0415 0.6979 0.0306 -0.1594 -0.0567 108 THR A CG2 +732 N N . VAL A 108 ? 1.3413 1.1100 0.8330 0.0188 -0.2063 -0.0217 109 VAL A N +733 C CA . VAL A 108 ? 1.3496 1.1269 0.8893 0.0144 -0.2261 -0.0140 109 VAL A CA +734 C C . VAL A 108 ? 1.4516 1.2064 0.9800 0.0151 -0.2635 -0.0201 109 VAL A C +735 O O . VAL A 108 ? 1.5900 1.3251 1.0725 0.0194 -0.2777 -0.0186 109 VAL A O +736 C CB . VAL A 108 ? 1.2953 1.0823 0.8414 0.0147 -0.2176 0.0000 109 VAL A CB +737 C CG1 . VAL A 108 ? 1.2635 1.0595 0.8635 0.0106 -0.2358 0.0081 109 VAL A CG1 +738 C CG2 . VAL A 108 ? 1.2587 1.0649 0.8144 0.0141 -0.1838 0.0039 109 VAL A CG2 +739 N N . ASP A 109 ? 1.4648 1.2223 1.0367 0.0109 -0.2800 -0.0254 110 ASP A N +740 C CA . ASP A 109 ? 1.4993 1.2341 1.0667 0.0110 -0.3186 -0.0340 110 ASP A CA +741 C C . ASP A 109 ? 1.5543 1.2608 1.0465 0.0174 -0.3225 -0.0484 110 ASP A C +742 O O . ASP A 109 ? 1.6719 1.3518 1.1243 0.0208 -0.3513 -0.0530 110 ASP A O +743 C CB . ASP A 109 ? 1.5183 1.2486 1.1016 0.0100 -0.3453 -0.0236 110 ASP A CB +744 C CG . ASP A 109 ? 1.4746 1.2315 1.1384 0.0041 -0.3407 -0.0108 110 ASP A CG +745 O OD1 . ASP A 109 ? 1.4802 1.2447 1.1992 -0.0001 -0.3496 -0.0129 110 ASP A OD1 +746 O OD2 . ASP A 109 ? 1.4806 1.2497 1.1527 0.0043 -0.3272 0.0014 110 ASP A OD2 +747 N N . LYS A 110 ? 1.5410 1.2523 1.0147 0.0194 -0.2937 -0.0547 111 LYS A N +748 C CA . LYS A 110 ? 1.5785 1.2662 0.9866 0.0261 -0.2870 -0.0687 111 LYS A CA +749 C C . LYS A 110 ? 1.5767 1.2557 0.9258 0.0325 -0.2694 -0.0618 111 LYS A C +750 O O . LYS A 110 ? 1.6043 1.2692 0.9045 0.0386 -0.2521 -0.0701 111 LYS A O +751 C CB . LYS A 110 ? 1.6626 1.3184 1.0412 0.0288 -0.3221 -0.0847 111 LYS A CB +752 C CG . LYS A 110 ? 1.6686 1.3276 1.1082 0.0225 -0.3522 -0.0887 111 LYS A CG +753 C CD . LYS A 110 ? 1.6015 1.2901 1.1111 0.0161 -0.3336 -0.0848 111 LYS A CD +754 C CE . LYS A 110 ? 1.6091 1.2896 1.1531 0.0132 -0.3560 -0.0973 111 LYS A CE +755 N NZ . LYS A 110 ? 1.6464 1.3029 1.1388 0.0189 -0.3546 -0.1164 111 LYS A NZ +756 N N . LYS A 111 ? 1.5417 1.2276 0.8972 0.0316 -0.2732 -0.0467 112 LYS A N +757 C CA . LYS A 111 ? 1.5764 1.2534 0.8799 0.0375 -0.2594 -0.0371 112 LYS A CA +758 C C . LYS A 111 ? 1.5200 1.2136 0.8232 0.0389 -0.2183 -0.0338 112 LYS A C +759 O O . LYS A 111 ? 1.4681 1.1881 0.8255 0.0333 -0.2038 -0.0309 112 LYS A O +760 C CB . LYS A 111 ? 1.6085 1.2941 0.9369 0.0347 -0.2732 -0.0208 112 LYS A CB +761 C CG . LYS A 111 ? 1.6930 1.3767 0.9864 0.0393 -0.2565 -0.0065 112 LYS A CG +762 C CD . LYS A 111 ? 1.6813 1.3878 1.0262 0.0346 -0.2551 0.0102 112 LYS A CD +763 C CE . LYS A 111 ? 1.6985 1.3997 1.0103 0.0391 -0.2450 0.0255 112 LYS A CE +764 N NZ . LYS A 111 ? 1.6937 1.3947 0.9703 0.0441 -0.2100 0.0257 112 LYS A NZ +765 N N . LYS A 112 ? 1.5349 1.2124 0.7797 0.0465 -0.2007 -0.0335 113 LYS A N +766 C CA . LYS A 112 ? 1.5301 1.2190 0.7721 0.0488 -0.1626 -0.0311 113 LYS A CA +767 C C . LYS A 112 ? 1.5483 1.2359 0.7633 0.0533 -0.1452 -0.0155 113 LYS A C +768 O O . LYS A 112 ? 1.7062 1.3698 0.8689 0.0590 -0.1569 -0.0123 113 LYS A O +769 C CB . LYS A 112 ? 1.5505 1.2203 0.7543 0.0544 -0.1529 -0.0470 113 LYS A CB +770 C CG . LYS A 112 ? 1.5873 1.2470 0.8014 0.0519 -0.1795 -0.0634 113 LYS A CG +771 C CD . LYS A 112 ? 1.6071 1.2600 0.8156 0.0542 -0.1672 -0.0792 113 LYS A CD +772 C CE . LYS A 112 ? 1.6035 1.2513 0.8386 0.0499 -0.1963 -0.0927 113 LYS A CE +773 N NZ . LYS A 112 ? 1.6374 1.2628 0.8419 0.0552 -0.1949 -0.1119 113 LYS A NZ +774 N N . TYR A 113 ? 1.4780 1.1890 0.7266 0.0510 -0.1190 -0.0061 114 TYR A N +775 C CA . TYR A 113 ? 1.4368 1.1515 0.6750 0.0542 -0.0992 0.0101 114 TYR A CA +776 C C . TYR A 113 ? 1.4496 1.1531 0.6515 0.0614 -0.0703 0.0080 114 TYR A C +777 O O . TYR A 113 ? 1.4626 1.1602 0.6581 0.0625 -0.0660 -0.0065 114 TYR A O +778 C CB . TYR A 113 ? 1.3416 1.0864 0.6419 0.0473 -0.0909 0.0195 114 TYR A CB +779 C CG . TYR A 113 ? 1.2931 1.0468 0.6285 0.0415 -0.1166 0.0228 114 TYR A CG +780 C CD1 . TYR A 113 ? 1.2620 1.0218 0.6288 0.0362 -0.1338 0.0127 114 TYR A CD1 +781 C CD2 . TYR A 113 ? 1.2933 1.0492 0.6354 0.0415 -0.1230 0.0370 114 TYR A CD2 +782 C CE1 . TYR A 113 ? 1.2373 1.0064 0.6444 0.0311 -0.1546 0.0167 114 TYR A CE1 +783 C CE2 . TYR A 113 ? 1.2565 1.0216 0.6383 0.0363 -0.1448 0.0404 114 TYR A CE2 +784 C CZ . TYR A 113 ? 1.2296 1.0014 0.6448 0.0312 -0.1600 0.0303 114 TYR A CZ +785 O OH . TYR A 113 ? 1.1935 0.9731 0.6502 0.0269 -0.1796 0.0351 114 TYR A OH +786 N N . ALA A 114 ? 1.4573 1.1573 0.6389 0.0665 -0.0510 0.0225 115 ALA A N +787 C CA . ALA A 114 ? 1.5036 1.1937 0.6560 0.0741 -0.0191 0.0246 115 ALA A CA +788 C C . ALA A 114 ? 1.4505 1.1624 0.6525 0.0700 0.0005 0.0200 115 ALA A C +789 O O . ALA A 114 ? 1.5130 1.2161 0.6993 0.0750 0.0203 0.0132 115 ALA A O +790 C CB . ALA A 114 ? 1.5173 1.2051 0.6552 0.0787 -0.0023 0.0447 115 ALA A CB +791 N N . ALA A 115 ? 1.3801 1.1177 0.6386 0.0617 -0.0050 0.0239 116 ALA A N +792 C CA . ALA A 115 ? 1.3503 1.1093 0.6574 0.0572 0.0114 0.0229 116 ALA A CA +793 C C . ALA A 115 ? 1.3075 1.0886 0.6644 0.0482 -0.0038 0.0220 116 ALA A C +794 O O . ALA A 115 ? 1.2886 1.0703 0.6480 0.0456 -0.0241 0.0246 116 ALA A O +795 C CB . ALA A 115 ? 1.3376 1.1008 0.6522 0.0608 0.0375 0.0368 116 ALA A CB +796 N N . GLU A 116 ? 1.2358 1.0327 0.6299 0.0439 0.0058 0.0183 117 GLU A N +797 C CA . GLU A 116 ? 1.1750 0.9921 0.6144 0.0362 -0.0021 0.0174 117 GLU A CA +798 C C . GLU A 116 ? 1.1055 0.9356 0.5745 0.0347 0.0158 0.0228 117 GLU A C +799 O O . GLU A 116 ? 1.1392 0.9659 0.6054 0.0375 0.0313 0.0217 117 GLU A O +800 C CB . GLU A 116 ? 1.1877 1.0071 0.6378 0.0323 -0.0137 0.0053 117 GLU A CB +801 C CG . GLU A 116 ? 1.1844 1.0211 0.6734 0.0254 -0.0228 0.0057 117 GLU A CG +802 C CD . GLU A 116 ? 1.2138 1.0518 0.7146 0.0218 -0.0368 -0.0031 117 GLU A CD +803 O OE1 . GLU A 116 ? 1.2232 1.0469 0.7010 0.0244 -0.0449 -0.0109 117 GLU A OE1 +804 O OE2 . GLU A 116 ? 1.2673 1.1194 0.8004 0.0167 -0.0390 -0.0022 117 GLU A OE2 +805 N N . LEU A 117 ? 1.0246 0.8678 0.5222 0.0308 0.0134 0.0285 118 LEU A N +806 C CA . LEU A 117 ? 1.0050 0.8601 0.5345 0.0285 0.0251 0.0320 118 LEU A CA +807 C C . LEU A 117 ? 0.9197 0.7869 0.4756 0.0221 0.0167 0.0249 118 LEU A C +808 O O . LEU A 117 ? 0.8651 0.7357 0.4253 0.0195 0.0043 0.0226 118 LEU A O +809 C CB . LEU A 117 ? 1.0380 0.8952 0.5761 0.0298 0.0289 0.0434 118 LEU A CB +810 C CG . LEU A 117 ? 1.0693 0.9397 0.6453 0.0254 0.0299 0.0444 118 LEU A CG +811 C CD1 . LEU A 117 ? 1.0936 0.9665 0.6873 0.0256 0.0430 0.0456 118 LEU A CD1 +812 C CD2 . LEU A 117 ? 1.0995 0.9717 0.6856 0.0261 0.0283 0.0538 118 LEU A CD2 +813 N N . HIS A 118 ? 0.8621 0.7344 0.4345 0.0201 0.0230 0.0218 119 HIS A N +814 C CA . HIS A 118 ? 0.8512 0.7321 0.4412 0.0148 0.0160 0.0157 119 HIS A CA +815 C C . HIS A 118 ? 0.7502 0.6385 0.3642 0.0122 0.0195 0.0178 119 HIS A C +816 O O . HIS A 118 ? 0.6997 0.5874 0.3230 0.0126 0.0262 0.0191 119 HIS A O +817 C CB . HIS A 118 ? 0.8930 0.7708 0.4784 0.0145 0.0164 0.0096 119 HIS A CB +818 C CG . HIS A 118 ? 0.9511 0.8219 0.5180 0.0156 0.0078 0.0044 119 HIS A CG +819 N ND1 . HIS A 118 ? 1.0324 0.8962 0.5902 0.0171 0.0090 -0.0014 119 HIS A ND1 +820 C CD2 . HIS A 118 ? 0.9889 0.8579 0.5482 0.0153 -0.0036 0.0037 119 HIS A CD2 +821 C CE1 . HIS A 118 ? 1.0604 0.9176 0.6043 0.0176 -0.0024 -0.0065 119 HIS A CE1 +822 N NE2 . HIS A 118 ? 1.0217 0.8822 0.5674 0.0163 -0.0110 -0.0029 119 HIS A NE2 +823 N N . LEU A 119 ? 0.7221 0.6157 0.3468 0.0100 0.0147 0.0179 120 LEU A N +824 C CA . LEU A 119 ? 0.7519 0.6495 0.3958 0.0076 0.0155 0.0171 120 LEU A CA +825 C C . LEU A 119 ? 0.7171 0.6172 0.3621 0.0040 0.0105 0.0110 120 LEU A C +826 O O . LEU A 119 ? 0.7026 0.6050 0.3442 0.0027 0.0068 0.0083 120 LEU A O +827 C CB . LEU A 119 ? 0.7714 0.6713 0.4252 0.0077 0.0139 0.0186 120 LEU A CB +828 C CG . LEU A 119 ? 0.7967 0.6943 0.4527 0.0111 0.0184 0.0270 120 LEU A CG +829 C CD1 . LEU A 119 ? 0.8293 0.7277 0.4827 0.0118 0.0134 0.0288 120 LEU A CD1 +830 C CD2 . LEU A 119 ? 0.7908 0.6892 0.4696 0.0110 0.0218 0.0298 120 LEU A CD2 +831 N N . VAL A 120 ? 0.6891 0.5882 0.3407 0.0026 0.0108 0.0103 121 VAL A N +832 C CA . VAL A 120 ? 0.7175 0.6173 0.3673 -0.0005 0.0057 0.0067 121 VAL A CA +833 C C . VAL A 120 ? 0.7192 0.6182 0.3726 -0.0029 0.0007 0.0038 121 VAL A C +834 O O . VAL A 120 ? 0.7527 0.6494 0.4180 -0.0029 -0.0010 0.0043 121 VAL A O +835 C CB . VAL A 120 ? 0.7225 0.6203 0.3788 -0.0005 0.0075 0.0082 121 VAL A CB +836 C CG1 . VAL A 120 ? 0.7077 0.6057 0.3643 -0.0038 0.0013 0.0065 121 VAL A CG1 +837 C CG2 . VAL A 120 ? 0.7343 0.6294 0.3818 0.0029 0.0139 0.0090 121 VAL A CG2 +838 N N . HIS A 121 ? 0.7135 0.6126 0.3568 -0.0044 -0.0014 0.0009 122 HIS A N +839 C CA . HIS A 121 ? 0.7496 0.6442 0.3875 -0.0056 -0.0054 -0.0029 122 HIS A CA +840 C C . HIS A 121 ? 0.7538 0.6462 0.3794 -0.0078 -0.0084 -0.0027 122 HIS A C +841 O O . HIS A 121 ? 0.7894 0.6859 0.4139 -0.0082 -0.0055 0.0000 122 HIS A O +842 C CB . HIS A 121 ? 0.7590 0.6535 0.3934 -0.0040 -0.0013 -0.0064 122 HIS A CB +843 C CG . HIS A 121 ? 0.7747 0.6725 0.4214 -0.0018 0.0020 -0.0047 122 HIS A CG +844 N ND1 . HIS A 121 ? 0.7360 0.6384 0.3850 -0.0007 0.0045 -0.0001 122 HIS A ND1 +845 C CD2 . HIS A 121 ? 0.7701 0.6660 0.4268 -0.0004 0.0022 -0.0065 122 HIS A CD2 +846 C CE1 . HIS A 121 ? 0.7498 0.6530 0.4074 0.0012 0.0062 0.0019 122 HIS A CE1 +847 N NE2 . HIS A 121 ? 0.7422 0.6424 0.4072 0.0013 0.0055 -0.0014 122 HIS A NE2 +848 N N . TRP A 122 ? 0.7638 0.6487 0.3802 -0.0091 -0.0151 -0.0051 123 TRP A N +849 C CA . TRP A 122 ? 0.7930 0.6738 0.3936 -0.0109 -0.0186 -0.0030 123 TRP A CA +850 C C . TRP A 122 ? 0.8058 0.6777 0.3824 -0.0098 -0.0173 -0.0074 123 TRP A C +851 O O . TRP A 122 ? 0.8064 0.6716 0.3805 -0.0086 -0.0212 -0.0139 123 TRP A O +852 C CB . TRP A 122 ? 0.7828 0.6595 0.3900 -0.0134 -0.0300 -0.0001 123 TRP A CB +853 C CG . TRP A 122 ? 0.7891 0.6577 0.4007 -0.0138 -0.0409 -0.0040 123 TRP A CG +854 C CD1 . TRP A 122 ? 0.7902 0.6610 0.4267 -0.0133 -0.0425 -0.0043 123 TRP A CD1 +855 C CD2 . TRP A 122 ? 0.8147 0.6703 0.4064 -0.0146 -0.0528 -0.0076 123 TRP A CD2 +856 N NE1 . TRP A 122 ? 0.8012 0.6622 0.4404 -0.0142 -0.0557 -0.0081 123 TRP A NE1 +857 C CE2 . TRP A 122 ? 0.8248 0.6754 0.4343 -0.0151 -0.0636 -0.0111 123 TRP A CE2 +858 C CE3 . TRP A 122 ? 0.8631 0.7093 0.4222 -0.0147 -0.0552 -0.0079 123 TRP A CE3 +859 C CZ2 . TRP A 122 ? 0.8677 0.7032 0.4630 -0.0158 -0.0798 -0.0167 123 TRP A CZ2 +860 C CZ3 . TRP A 122 ? 0.8946 0.7248 0.4333 -0.0150 -0.0696 -0.0130 123 TRP A CZ3 +861 C CH2 . TRP A 122 ? 0.8977 0.7222 0.4542 -0.0156 -0.0832 -0.0183 123 TRP A CH2 +862 N N . ASN A 123 ? 0.8136 0.6843 0.3741 -0.0098 -0.0118 -0.0038 124 ASN A N +863 C CA . ASN A 123 ? 0.8761 0.7377 0.4096 -0.0075 -0.0048 -0.0068 124 ASN A CA +864 C C . ASN A 123 ? 0.8892 0.7344 0.3949 -0.0079 -0.0170 -0.0103 124 ASN A C +865 O O . ASN A 123 ? 0.8713 0.7134 0.3700 -0.0103 -0.0255 -0.0039 124 ASN A O +866 C CB . ASN A 123 ? 0.8941 0.7603 0.4241 -0.0072 0.0068 0.0009 124 ASN A CB +867 C CG . ASN A 123 ? 0.9624 0.8185 0.4647 -0.0039 0.0185 -0.0007 124 ASN A CG +868 O OD1 . ASN A 123 ? 1.0098 0.8521 0.4869 -0.0022 0.0139 -0.0081 124 ASN A OD1 +869 N ND2 . ASN A 123 ? 0.9903 0.8519 0.4976 -0.0026 0.0335 0.0059 124 ASN A ND2 +870 N N . THR A 124 ? 0.8950 0.7289 0.3860 -0.0055 -0.0194 -0.0202 125 THR A N +871 C CA . THR A 124 ? 0.9557 0.7705 0.4187 -0.0055 -0.0350 -0.0263 125 THR A CA +872 C C . THR A 124 ? 0.9929 0.7954 0.4151 -0.0045 -0.0328 -0.0216 125 THR A C +873 O O . THR A 124 ? 0.9873 0.7778 0.3922 -0.0064 -0.0504 -0.0201 125 THR A O +874 C CB . THR A 124 ? 0.9672 0.7710 0.4229 -0.0024 -0.0368 -0.0398 125 THR A CB +875 O OG1 . THR A 124 ? 0.9660 0.7689 0.4088 0.0019 -0.0170 -0.0439 125 THR A OG1 +876 C CG2 . THR A 124 ? 0.9441 0.7575 0.4402 -0.0038 -0.0426 -0.0421 125 THR A CG2 +877 N N . LYS A 125 ? 1.0066 0.8125 0.4175 -0.0018 -0.0125 -0.0173 126 LYS A N +878 C CA . LYS A 125 ? 1.0645 0.8633 0.4454 -0.0011 -0.0063 -0.0075 126 LYS A CA +879 C C . LYS A 125 ? 1.0887 0.8842 0.4679 -0.0056 -0.0267 0.0003 126 LYS A C +880 O O . LYS A 125 ? 1.2141 0.9920 0.5525 -0.0047 -0.0334 0.0033 126 LYS A O +881 C CB . LYS A 125 ? 1.0794 0.8942 0.4817 -0.0005 0.0147 0.0019 126 LYS A CB +882 C CG . LYS A 125 ? 1.1768 0.9879 0.5594 -0.0003 0.0231 0.0153 126 LYS A CG +883 C CD . LYS A 125 ? 1.2033 1.0298 0.6136 0.0002 0.0433 0.0250 126 LYS A CD +884 C CE . LYS A 125 ? 1.2431 1.0728 0.6628 0.0045 0.0623 0.0185 126 LYS A CE +885 N NZ . LYS A 125 ? 1.3111 1.1468 0.7419 0.0066 0.0845 0.0301 126 LYS A NZ +886 N N . TYR A 126 ? 1.0478 0.8573 0.4672 -0.0097 -0.0367 0.0034 127 TYR A N +887 C CA . TYR A 126 ? 1.0696 0.8811 0.5005 -0.0139 -0.0512 0.0136 127 TYR A CA +888 C C . TYR A 126 ? 1.0862 0.8909 0.5289 -0.0167 -0.0753 0.0093 127 TYR A C +889 O O . TYR A 126 ? 1.1221 0.9271 0.5778 -0.0201 -0.0889 0.0177 127 TYR A O +890 C CB . TYR A 126 ? 1.0453 0.8768 0.5157 -0.0160 -0.0424 0.0212 127 TYR A CB +891 C CG . TYR A 126 ? 1.0493 0.8877 0.5171 -0.0142 -0.0224 0.0275 127 TYR A CG +892 C CD1 . TYR A 126 ? 1.0842 0.9140 0.5240 -0.0133 -0.0170 0.0367 127 TYR A CD1 +893 C CD2 . TYR A 126 ? 1.0474 0.8998 0.5415 -0.0133 -0.0093 0.0253 127 TYR A CD2 +894 C CE1 . TYR A 126 ? 1.0962 0.9323 0.5390 -0.0115 0.0026 0.0440 127 TYR A CE1 +895 C CE2 . TYR A 126 ? 1.0660 0.9245 0.5643 -0.0118 0.0072 0.0316 127 TYR A CE2 +896 C CZ . TYR A 126 ? 1.0832 0.9343 0.5584 -0.0109 0.0143 0.0413 127 TYR A CZ +897 O OH . TYR A 126 ? 1.1320 0.9888 0.6159 -0.0094 0.0320 0.0496 127 TYR A OH +898 N N . GLY A 127 ? 1.0744 0.8731 0.5182 -0.0154 -0.0814 -0.0024 128 GLY A N +899 C CA . GLY A 127 ? 1.1382 0.9235 0.5834 -0.0175 -0.1071 -0.0064 128 GLY A CA +900 C C . GLY A 127 ? 1.1275 0.9244 0.6243 -0.0209 -0.1173 -0.0030 128 GLY A C +901 O O . GLY A 127 ? 1.1664 0.9540 0.6750 -0.0223 -0.1369 -0.0077 128 GLY A O +902 N N . ASP A 128 ? 1.1188 0.9336 0.6461 -0.0221 -0.1051 0.0045 129 ASP A N +903 C CA . ASP A 128 ? 1.0812 0.9090 0.6559 -0.0229 -0.1031 0.0048 129 ASP A CA +904 C C . ASP A 128 ? 0.9930 0.8371 0.5846 -0.0226 -0.0853 0.0107 129 ASP A C +905 O O . ASP A 128 ? 0.9136 0.7592 0.4862 -0.0225 -0.0778 0.0154 129 ASP A O +906 C CB . ASP A 128 ? 1.1440 0.9671 0.7479 -0.0260 -0.1236 0.0084 129 ASP A CB +907 C CG . ASP A 128 ? 1.2500 1.0699 0.8531 -0.0289 -0.1349 0.0184 129 ASP A CG +908 O OD1 . ASP A 128 ? 1.3202 1.1454 0.9087 -0.0287 -0.1235 0.0242 129 ASP A OD1 +909 O OD2 . ASP A 128 ? 1.3307 1.1426 0.9519 -0.0316 -0.1562 0.0212 129 ASP A OD2 +910 N N . PHE A 129 ? 0.9310 0.7852 0.5563 -0.0220 -0.0789 0.0104 130 PHE A N +911 C CA . PHE A 129 ? 0.8936 0.7607 0.5349 -0.0209 -0.0636 0.0135 130 PHE A CA +912 C C . PHE A 129 ? 0.9194 0.7882 0.5649 -0.0230 -0.0660 0.0209 130 PHE A C +913 O O . PHE A 129 ? 0.8917 0.7667 0.5320 -0.0224 -0.0555 0.0227 130 PHE A O +914 C CB . PHE A 129 ? 0.8720 0.7444 0.5465 -0.0198 -0.0599 0.0133 130 PHE A CB +915 C CG . PHE A 129 ? 0.8509 0.7324 0.5363 -0.0178 -0.0451 0.0148 130 PHE A CG +916 C CD1 . PHE A 129 ? 0.8225 0.7086 0.4970 -0.0151 -0.0333 0.0114 130 PHE A CD1 +917 C CD2 . PHE A 129 ? 0.8288 0.7126 0.5346 -0.0183 -0.0443 0.0192 130 PHE A CD2 +918 C CE1 . PHE A 129 ? 0.7981 0.6894 0.4776 -0.0130 -0.0226 0.0117 130 PHE A CE1 +919 C CE2 . PHE A 129 ? 0.8066 0.6956 0.5174 -0.0157 -0.0312 0.0184 130 PHE A CE2 +920 C CZ . PHE A 129 ? 0.7861 0.6780 0.4816 -0.0130 -0.0214 0.0144 130 PHE A CZ +921 N N . GLY A 130 ? 0.9448 0.8078 0.6037 -0.0255 -0.0810 0.0255 131 GLY A N +922 C CA . GLY A 130 ? 0.9062 0.7693 0.5748 -0.0279 -0.0869 0.0339 131 GLY A CA +923 C C . GLY A 130 ? 0.9035 0.7647 0.5414 -0.0284 -0.0838 0.0378 131 GLY A C +924 O O . GLY A 130 ? 0.9178 0.7852 0.5658 -0.0289 -0.0774 0.0429 131 GLY A O +925 N N . LYS A 131 ? 0.9182 0.7700 0.5206 -0.0277 -0.0871 0.0355 132 LYS A N +926 C CA . LYS A 131 ? 0.9525 0.7994 0.5227 -0.0276 -0.0834 0.0415 132 LYS A CA +927 C C . LYS A 131 ? 0.9319 0.7880 0.4975 -0.0250 -0.0630 0.0378 132 LYS A C +928 O O . LYS A 131 ? 0.9532 0.8130 0.5155 -0.0251 -0.0544 0.0447 132 LYS A O +929 C CB . LYS A 131 ? 1.0076 0.8366 0.5400 -0.0277 -0.0975 0.0410 132 LYS A CB +930 C CG . LYS A 131 ? 1.0368 0.8559 0.5335 -0.0277 -0.0981 0.0507 132 LYS A CG +931 N N . ALA A 132 ? 0.9443 0.8043 0.5148 -0.0228 -0.0563 0.0285 133 ALA A N +932 C CA . ALA A 132 ? 0.9242 0.7931 0.4962 -0.0204 -0.0396 0.0252 133 ALA A CA +933 C C . ALA A 132 ? 0.8992 0.7788 0.4965 -0.0212 -0.0341 0.0291 133 ALA A C +934 O O . ALA A 132 ? 0.9184 0.8025 0.5139 -0.0204 -0.0242 0.0314 133 ALA A O +935 C CB . ALA A 132 ? 0.9160 0.7875 0.4946 -0.0183 -0.0359 0.0163 133 ALA A CB +936 N N . VAL A 133 ? 0.8884 0.7709 0.5100 -0.0223 -0.0397 0.0292 134 VAL A N +937 C CA . VAL A 133 ? 0.8906 0.7810 0.5337 -0.0218 -0.0335 0.0290 134 VAL A CA +938 C C . VAL A 133 ? 0.8814 0.7727 0.5273 -0.0237 -0.0339 0.0370 134 VAL A C +939 O O . VAL A 133 ? 0.8155 0.7121 0.4757 -0.0234 -0.0290 0.0366 134 VAL A O +940 C CB . VAL A 133 ? 0.9116 0.8034 0.5785 -0.0212 -0.0351 0.0264 134 VAL A CB +941 C CG1 . VAL A 133 ? 0.9190 0.8124 0.5858 -0.0183 -0.0289 0.0196 134 VAL A CG1 +942 C CG2 . VAL A 133 ? 0.9043 0.7914 0.5842 -0.0233 -0.0463 0.0308 134 VAL A CG2 +943 N N . GLN A 134 ? 0.9195 0.8045 0.5500 -0.0255 -0.0399 0.0442 135 GLN A N +944 C CA . GLN A 134 ? 0.9018 0.7869 0.5359 -0.0274 -0.0403 0.0547 135 GLN A CA +945 C C . GLN A 134 ? 0.9014 0.7884 0.5219 -0.0261 -0.0283 0.0579 135 GLN A C +946 O O . GLN A 134 ? 0.9454 0.8343 0.5752 -0.0273 -0.0259 0.0672 135 GLN A O +947 C CB . GLN A 134 ? 0.9615 0.8378 0.5873 -0.0297 -0.0538 0.0626 135 GLN A CB +948 C CG . GLN A 134 ? 0.9846 0.8618 0.6396 -0.0311 -0.0639 0.0611 135 GLN A CG +949 C CD . GLN A 134 ? 1.0239 0.9089 0.7095 -0.0312 -0.0582 0.0614 135 GLN A CD +950 O OE1 . GLN A 134 ? 1.0891 0.9761 0.7786 -0.0323 -0.0555 0.0688 135 GLN A OE1 +951 N NE2 . GLN A 134 ? 1.0410 0.9296 0.7478 -0.0296 -0.0553 0.0531 135 GLN A NE2 +952 N N . GLN A 135 ? 0.9016 0.7891 0.5082 -0.0235 -0.0201 0.0511 136 GLN A N +953 C CA . GLN A 135 ? 0.9236 0.8130 0.5227 -0.0218 -0.0064 0.0549 136 GLN A CA +954 C C . GLN A 135 ? 0.9327 0.8313 0.5536 -0.0206 0.0001 0.0489 136 GLN A C +955 O O . GLN A 135 ? 0.8642 0.7652 0.4925 -0.0199 -0.0038 0.0400 136 GLN A O +956 C CB . GLN A 135 ? 0.9671 0.8478 0.5326 -0.0193 -0.0010 0.0522 136 GLN A CB +957 C CG . GLN A 135 ? 1.0128 0.8811 0.5521 -0.0201 -0.0136 0.0524 136 GLN A CG +958 C CD . GLN A 135 ? 0.9946 0.8573 0.5252 -0.0220 -0.0181 0.0656 136 GLN A CD +959 O OE1 . GLN A 135 ? 0.9618 0.8260 0.4905 -0.0213 -0.0061 0.0752 136 GLN A OE1 +960 N NE2 . GLN A 135 ? 0.9774 0.8342 0.5080 -0.0245 -0.0353 0.0673 136 GLN A NE2 +961 N N . PRO A 136 ? 0.9460 0.8489 0.5774 -0.0199 0.0105 0.0546 137 PRO A N +962 C CA . PRO A 136 ? 0.9340 0.8442 0.5869 -0.0188 0.0144 0.0498 137 PRO A CA +963 C C . PRO A 136 ? 0.9378 0.8474 0.5791 -0.0161 0.0185 0.0414 137 PRO A C +964 O O . PRO A 136 ? 1.0072 0.9209 0.6626 -0.0156 0.0147 0.0351 137 PRO A O +965 C CB . PRO A 136 ? 0.9391 0.8527 0.6070 -0.0184 0.0260 0.0600 137 PRO A CB +966 C CG . PRO A 136 ? 0.9592 0.8680 0.6155 -0.0198 0.0276 0.0716 137 PRO A CG +967 C CD . PRO A 136 ? 0.9560 0.8563 0.5809 -0.0200 0.0190 0.0674 137 PRO A CD +968 N N . ASP A 137 ? 0.8980 0.8011 0.5137 -0.0143 0.0254 0.0415 138 ASP A N +969 C CA . ASP A 137 ? 0.8963 0.7972 0.5010 -0.0116 0.0295 0.0331 138 ASP A CA +970 C C . ASP A 137 ? 0.8961 0.7905 0.4830 -0.0120 0.0187 0.0261 138 ASP A C +971 O O . ASP A 137 ? 0.9289 0.8170 0.4985 -0.0099 0.0210 0.0201 138 ASP A O +972 C CB . ASP A 137 ? 0.9396 0.8355 0.5292 -0.0085 0.0452 0.0359 138 ASP A CB +973 C CG . ASP A 137 ? 1.0062 0.8896 0.5591 -0.0077 0.0471 0.0393 138 ASP A CG +974 O OD1 . ASP A 137 ? 1.0144 0.8953 0.5618 -0.0105 0.0373 0.0448 138 ASP A OD1 +975 O OD2 . ASP A 137 ? 1.0321 0.9066 0.5609 -0.0041 0.0580 0.0363 138 ASP A OD2 +976 N N . GLY A 138 ? 0.8429 0.7386 0.4383 -0.0144 0.0076 0.0263 139 GLY A N +977 C CA . GLY A 138 ? 0.8411 0.7313 0.4286 -0.0151 -0.0029 0.0217 139 GLY A CA +978 C C . GLY A 138 ? 0.8372 0.7297 0.4326 -0.0136 -0.0040 0.0139 139 GLY A C +979 O O . GLY A 138 ? 0.8815 0.7677 0.4659 -0.0128 -0.0075 0.0093 139 GLY A O +980 N N . LEU A 139 ? 0.8093 0.7088 0.4225 -0.0131 -0.0027 0.0127 140 LEU A N +981 C CA . LEU A 139 ? 0.7717 0.6728 0.3912 -0.0113 -0.0030 0.0077 140 LEU A CA +982 C C . LEU A 139 ? 0.7714 0.6768 0.3961 -0.0095 0.0027 0.0066 140 LEU A C +983 O O . LEU A 139 ? 0.8201 0.7288 0.4516 -0.0100 0.0049 0.0096 140 LEU A O +984 C CB . LEU A 139 ? 0.7638 0.6664 0.3946 -0.0112 -0.0062 0.0075 140 LEU A CB +985 C CG . LEU A 139 ? 0.7680 0.6676 0.4041 -0.0129 -0.0117 0.0095 140 LEU A CG +986 C CD1 . LEU A 139 ? 0.7486 0.6482 0.3953 -0.0109 -0.0101 0.0077 140 LEU A CD1 +987 C CD2 . LEU A 139 ? 0.7749 0.6690 0.4031 -0.0142 -0.0175 0.0100 140 LEU A CD2 +988 N N . ALA A 140 ? 0.7554 0.6606 0.3811 -0.0076 0.0038 0.0033 141 ALA A N +989 C CA . ALA A 140 ? 0.7583 0.6673 0.3929 -0.0058 0.0065 0.0030 141 ALA A CA +990 C C . ALA A 140 ? 0.7628 0.6714 0.3999 -0.0044 0.0031 0.0024 141 ALA A C +991 O O . ALA A 140 ? 0.7981 0.7041 0.4336 -0.0039 0.0029 0.0013 141 ALA A O +992 C CB . ALA A 140 ? 0.7634 0.6709 0.3962 -0.0043 0.0123 0.0006 141 ALA A CB +993 N N . VAL A 141 ? 0.7669 0.6763 0.4065 -0.0035 0.0001 0.0034 142 VAL A N +994 C CA . VAL A 141 ? 0.7806 0.6868 0.4155 -0.0012 -0.0010 0.0037 142 VAL A CA +995 C C . VAL A 141 ? 0.7767 0.6831 0.4135 0.0006 -0.0032 0.0054 142 VAL A C +996 O O . VAL A 141 ? 0.7798 0.6872 0.4212 0.0002 -0.0081 0.0055 142 VAL A O +997 C CB . VAL A 141 ? 0.7976 0.7001 0.4264 -0.0006 -0.0032 0.0027 142 VAL A CB +998 C CG1 . VAL A 141 ? 0.8288 0.7259 0.4477 0.0029 -0.0010 0.0036 142 VAL A CG1 +999 C CG2 . VAL A 141 ? 0.8159 0.7183 0.4476 -0.0026 -0.0019 0.0022 142 VAL A CG2 +1000 N N . LEU A 142 ? 0.7793 0.6848 0.4166 0.0024 -0.0007 0.0074 143 LEU A N +1001 C CA . LEU A 142 ? 0.8100 0.7156 0.4517 0.0041 -0.0036 0.0105 143 LEU A CA +1002 C C . LEU A 142 ? 0.8028 0.7018 0.4288 0.0069 -0.0073 0.0136 143 LEU A C +1003 O O . LEU A 142 ? 0.7749 0.6703 0.3931 0.0091 -0.0017 0.0163 143 LEU A O +1004 C CB . LEU A 142 ? 0.8171 0.7243 0.4690 0.0046 0.0012 0.0113 143 LEU A CB +1005 C CG . LEU A 142 ? 0.8751 0.7825 0.5355 0.0065 -0.0009 0.0160 143 LEU A CG +1006 C CD1 . LEU A 142 ? 0.8989 0.8090 0.5691 0.0059 -0.0062 0.0162 143 LEU A CD1 +1007 C CD2 . LEU A 142 ? 0.8797 0.7882 0.5539 0.0069 0.0037 0.0154 143 LEU A CD2 +1008 N N . GLY A 143 ? 0.8119 0.7078 0.4324 0.0072 -0.0163 0.0128 144 GLY A N +1009 C CA . GLY A 143 ? 0.8592 0.7447 0.4565 0.0104 -0.0216 0.0134 144 GLY A CA +1010 C C . GLY A 143 ? 0.8416 0.7224 0.4322 0.0130 -0.0275 0.0199 144 GLY A C +1011 O O . GLY A 143 ? 0.8211 0.7044 0.4261 0.0116 -0.0376 0.0213 144 GLY A O +1012 N N . ILE A 144 ? 0.8473 0.7211 0.4190 0.0167 -0.0213 0.0248 145 ILE A N +1013 C CA . ILE A 144 ? 0.9043 0.7719 0.4658 0.0198 -0.0261 0.0336 145 ILE A CA +1014 C C . ILE A 144 ? 0.9411 0.7921 0.4620 0.0248 -0.0287 0.0350 145 ILE A C +1015 O O . ILE A 144 ? 0.9332 0.7785 0.4362 0.0280 -0.0152 0.0351 145 ILE A O +1016 C CB . ILE A 144 ? 0.8898 0.7632 0.4669 0.0204 -0.0142 0.0409 145 ILE A CB +1017 C CG1 . ILE A 144 ? 0.8594 0.7453 0.4696 0.0163 -0.0120 0.0369 145 ILE A CG1 +1018 C CG2 . ILE A 144 ? 0.9091 0.7771 0.4802 0.0233 -0.0186 0.0519 145 ILE A CG2 +1019 C CD1 . ILE A 144 ? 0.8541 0.7441 0.4829 0.0167 -0.0040 0.0424 145 ILE A CD1 +1020 N N . PHE A 145 ? 0.9937 0.8354 0.4996 0.0260 -0.0454 0.0370 146 PHE A N +1021 C CA . PHE A 145 ? 1.0471 0.8688 0.5059 0.0316 -0.0500 0.0378 146 PHE A CA +1022 C C . PHE A 145 ? 1.0813 0.8960 0.5200 0.0366 -0.0391 0.0508 146 PHE A C +1023 O O . PHE A 145 ? 1.0602 0.8839 0.5233 0.0353 -0.0370 0.0607 146 PHE A O +1024 C CB . PHE A 145 ? 1.0431 0.8554 0.4933 0.0309 -0.0759 0.0351 146 PHE A CB +1025 C CG . PHE A 145 ? 1.0045 0.8218 0.4751 0.0266 -0.0861 0.0234 146 PHE A CG +1026 C CD1 . PHE A 145 ? 1.0131 0.8237 0.4663 0.0278 -0.0814 0.0128 146 PHE A CD1 +1027 C CD2 . PHE A 145 ? 0.9836 0.8118 0.4936 0.0218 -0.0992 0.0238 146 PHE A CD2 +1028 C CE1 . PHE A 145 ? 1.0053 0.8200 0.4797 0.0239 -0.0914 0.0035 146 PHE A CE1 +1029 C CE2 . PHE A 145 ? 0.9760 0.8085 0.5075 0.0181 -0.1070 0.0152 146 PHE A CE2 +1030 C CZ . PHE A 145 ? 0.9769 0.8027 0.4906 0.0190 -0.1038 0.0054 146 PHE A CZ +1031 N N . LEU A 146 ? 1.1520 0.9493 0.5464 0.0427 -0.0312 0.0513 147 LEU A N +1032 C CA . LEU A 146 ? 1.2075 0.9927 0.5717 0.0490 -0.0215 0.0653 147 LEU A CA +1033 C C . LEU A 146 ? 1.2880 1.0490 0.5986 0.0539 -0.0385 0.0656 147 LEU A C +1034 O O . LEU A 146 ? 1.3337 1.0794 0.6089 0.0573 -0.0393 0.0542 147 LEU A O +1035 C CB . LEU A 146 ? 1.2025 0.9852 0.5570 0.0534 0.0064 0.0672 147 LEU A CB +1036 C CG . LEU A 146 ? 1.1693 0.9713 0.5718 0.0503 0.0228 0.0741 147 LEU A CG +1037 C CD1 . LEU A 146 ? 1.1319 0.9513 0.5754 0.0430 0.0170 0.0623 147 LEU A CD1 +1038 C CD2 . LEU A 146 ? 1.1771 0.9740 0.5716 0.0558 0.0499 0.0804 147 LEU A CD2 +1039 N N . LYS A 147 ? 1.3239 1.0809 0.6308 0.0541 -0.0533 0.0775 148 LYS A N +1040 C CA . LYS A 147 ? 1.3291 1.0604 0.5794 0.0601 -0.0674 0.0844 148 LYS A CA +1041 C C . LYS A 147 ? 1.3748 1.0991 0.6012 0.0667 -0.0425 0.1009 148 LYS A C +1042 O O . LYS A 147 ? 1.3044 1.0468 0.5733 0.0643 -0.0276 0.1112 148 LYS A O +1043 C CB . LYS A 147 ? 1.2854 1.0176 0.5521 0.0567 -0.0962 0.0921 148 LYS A CB +1044 N N . VAL A 148 ? 1.5355 1.2330 0.6958 0.0751 -0.0379 0.1034 149 VAL A N +1045 C CA . VAL A 148 ? 1.5681 1.2548 0.6984 0.0827 -0.0144 0.1228 149 VAL A CA +1046 C C . VAL A 148 ? 1.6079 1.2844 0.7206 0.0837 -0.0352 0.1401 149 VAL A C +1047 O O . VAL A 148 ? 1.5737 1.2339 0.6556 0.0834 -0.0679 0.1345 149 VAL A O +1048 C CB . VAL A 148 ? 1.5965 1.2584 0.6634 0.0924 0.0068 0.1181 149 VAL A CB +1049 C CG1 . VAL A 148 ? 1.6148 1.2551 0.6345 0.0942 -0.0152 0.0979 149 VAL A CG1 +1050 C CG2 . VAL A 148 ? 1.6658 1.3087 0.6860 0.1014 0.0238 0.1397 149 VAL A CG2 +1051 N N . GLY A 149 ? 1.6675 1.3540 0.8055 0.0844 -0.0192 0.1606 150 GLY A N +1052 C CA . GLY A 149 ? 1.7482 1.4363 0.9009 0.0827 -0.0363 0.1792 150 GLY A CA +1053 C C . GLY A 149 ? 1.8338 1.5376 1.0283 0.0829 -0.0106 0.1983 150 GLY A C +1054 O O . GLY A 149 ? 1.8374 1.5383 1.0201 0.0883 0.0214 0.2034 150 GLY A O +1055 N N . SER A 150 ? 1.9010 1.6205 1.1471 0.0775 -0.0234 0.2085 151 SER A N +1056 C CA . SER A 150 ? 1.9532 1.6901 1.2530 0.0763 -0.0034 0.2244 151 SER A CA +1057 C C . SER A 150 ? 1.9477 1.6996 1.2794 0.0751 0.0242 0.2143 151 SER A C +1058 O O . SER A 150 ? 1.9820 1.7388 1.3153 0.0720 0.0207 0.1931 151 SER A O +1059 C CB . SER A 150 ? 1.9436 1.6984 1.3045 0.0691 -0.0233 0.2268 151 SER A CB +1060 O OG . SER A 150 ? 2.0146 1.7558 1.3532 0.0705 -0.0473 0.2411 151 SER A OG +1061 N N . ALA A 151 ? 1.9647 1.7233 1.3239 0.0773 0.0495 0.2299 152 ALA A N +1062 C CA . ALA A 151 ? 1.9337 1.7049 1.3272 0.0767 0.0757 0.2240 152 ALA A CA +1063 C C . ALA A 151 ? 1.8585 1.6529 1.3131 0.0677 0.0651 0.2062 152 ALA A C +1064 O O . ALA A 151 ? 1.8783 1.6796 1.3522 0.0625 0.0417 0.2008 152 ALA A O +1065 C CB . ALA A 151 ? 1.9157 1.6882 1.3321 0.0808 0.1011 0.2472 152 ALA A CB +1066 N N . LYS A 152 ? 1.7391 1.5437 1.2223 0.0662 0.0821 0.1975 153 LYS A N +1067 C CA . LYS A 152 ? 1.6108 1.4350 1.1481 0.0583 0.0745 0.1815 153 LYS A CA +1068 C C . LYS A 152 ? 1.5527 1.3870 1.1394 0.0579 0.0938 0.1886 153 LYS A C +1069 O O . LYS A 152 ? 1.4483 1.2810 1.0335 0.0604 0.1120 0.1873 153 LYS A O +1070 C CB . LYS A 152 ? 1.5815 1.4061 1.1004 0.0559 0.0677 0.1598 153 LYS A CB +1071 C CG . LYS A 152 ? 1.4922 1.3332 1.0522 0.0482 0.0544 0.1431 153 LYS A CG +1072 C CD . LYS A 152 ? 1.4473 1.2914 1.0142 0.0447 0.0319 0.1403 153 LYS A CD +1073 C CE . LYS A 152 ? 1.3839 1.2440 0.9996 0.0384 0.0261 0.1292 153 LYS A CE +1074 N NZ . LYS A 152 ? 1.3600 1.2234 0.9858 0.0354 0.0070 0.1252 153 LYS A NZ +1075 N N . PRO A 153 ? 1.5265 1.3707 1.1612 0.0549 0.0897 0.1965 154 PRO A N +1076 C CA . PRO A 153 ? 1.4722 1.3253 1.1602 0.0540 0.1040 0.2026 154 PRO A CA +1077 C C . PRO A 153 ? 1.4027 1.2659 1.1174 0.0488 0.1012 0.1821 154 PRO A C +1078 O O . PRO A 153 ? 1.4050 1.2702 1.1432 0.0497 0.1162 0.1848 154 PRO A O +1079 C CB . PRO A 153 ? 1.4558 1.3154 1.1853 0.0515 0.0942 0.2116 154 PRO A CB +1080 C CG . PRO A 153 ? 1.4612 1.3204 1.1701 0.0489 0.0715 0.2021 154 PRO A CG +1081 C CD . PRO A 153 ? 1.4877 1.3343 1.1323 0.0524 0.0700 0.1995 154 PRO A CD +1082 N N . GLY A 154 ? 1.3247 1.1930 1.0357 0.0439 0.0827 0.1635 155 GLY A N +1083 C CA . GLY A 154 ? 1.3135 1.1887 1.0372 0.0394 0.0787 0.1441 155 GLY A CA +1084 C C . GLY A 154 ? 1.3191 1.1892 1.0223 0.0424 0.0934 0.1433 155 GLY A C +1085 O O . GLY A 154 ? 1.3047 1.1793 1.0396 0.0410 0.1010 0.1411 155 GLY A O +1086 N N . LEU A 155 ? 1.3280 1.1873 0.9809 0.0467 0.0967 0.1456 156 LEU A N +1087 C CA . LEU A 155 ? 1.3183 1.1699 0.9442 0.0506 0.1112 0.1430 156 LEU A CA +1088 C C . LEU A 155 ? 1.2982 1.1466 0.9419 0.0558 0.1363 0.1600 156 LEU A C +1089 O O . LEU A 155 ? 1.2867 1.1347 0.9381 0.0571 0.1495 0.1567 156 LEU A O +1090 C CB . LEU A 155 ? 1.3635 1.2013 0.9288 0.0545 0.1058 0.1411 156 LEU A CB +1091 C CG . LEU A 155 ? 1.4024 1.2303 0.9317 0.0580 0.1143 0.1317 156 LEU A CG +1092 C CD1 . LEU A 155 ? 1.3748 1.2107 0.9386 0.0562 0.1263 0.1255 156 LEU A CD1 +1093 C CD2 . LEU A 155 ? 1.4245 1.2490 0.9229 0.0554 0.0930 0.1160 156 LEU A CD2 +1094 N N . GLN A 156 ? 1.3444 1.1908 0.9988 0.0587 0.1433 0.1787 157 GLN A N +1095 C CA . GLN A 156 ? 1.4161 1.2561 1.0778 0.0655 0.1710 0.1992 157 GLN A CA +1096 C C . GLN A 156 ? 1.3738 1.2233 1.0915 0.0633 0.1822 0.1972 157 GLN A C +1097 O O . GLN A 156 ? 1.4330 1.2763 1.1463 0.0687 0.2056 0.2038 157 GLN A O +1098 C CB . GLN A 156 ? 1.4416 1.2795 1.1129 0.0679 0.1740 0.2208 157 GLN A CB +1099 C CG . GLN A 156 ? 1.4756 1.3067 1.1558 0.0754 0.2048 0.2448 157 GLN A CG +1100 C CD . GLN A 156 ? 1.5480 1.3643 1.1786 0.0832 0.2273 0.2458 157 GLN A CD +1101 O OE1 . GLN A 156 ? 1.6062 1.4074 1.1694 0.0876 0.2240 0.2431 157 GLN A OE1 +1102 N NE2 . GLN A 156 ? 1.5176 1.3370 1.1830 0.0853 0.2497 0.2489 157 GLN A NE2 +1103 N N . LYS A 157 ? 1.3294 1.1917 1.0960 0.0559 0.1656 0.1873 158 LYS A N +1104 C CA . LYS A 157 ? 1.3427 1.2129 1.1666 0.0531 0.1706 0.1854 158 LYS A CA +1105 C C . LYS A 157 ? 1.2833 1.1512 1.0927 0.0539 0.1775 0.1745 158 LYS A C +1106 O O . LYS A 157 ? 1.2276 1.0990 1.0808 0.0536 0.1872 0.1777 158 LYS A O +1107 C CB . LYS A 157 ? 1.3891 1.2696 1.2542 0.0451 0.1466 0.1728 158 LYS A CB +1108 C CG . LYS A 157 ? 1.4226 1.3091 1.3456 0.0414 0.1447 0.1690 158 LYS A CG +1109 C CD . LYS A 157 ? 1.4313 1.3237 1.3982 0.0354 0.1238 0.1611 158 LYS A CD +1110 C CE . LYS A 157 ? 1.4379 1.3331 1.4293 0.0297 0.1076 0.1440 158 LYS A CE +1111 N NZ . LYS A 157 ? 1.4144 1.3098 1.4398 0.0309 0.1196 0.1509 158 LYS A NZ +1112 N N . VAL A 158 ? 1.3324 1.1941 1.0865 0.0549 0.1721 0.1627 159 VAL A N +1113 C CA . VAL A 158 ? 1.3716 1.2305 1.1094 0.0553 0.1757 0.1501 159 VAL A CA +1114 C C . VAL A 158 ? 1.4335 1.2794 1.1413 0.0645 0.2039 0.1607 159 VAL A C +1115 O O . VAL A 158 ? 1.4349 1.2814 1.1748 0.0669 0.2222 0.1659 159 VAL A O +1116 C CB . VAL A 158 ? 1.3780 1.2361 1.0746 0.0517 0.1546 0.1315 159 VAL A CB +1117 C CG1 . VAL A 158 ? 1.3650 1.2182 1.0411 0.0532 0.1600 0.1206 159 VAL A CG1 +1118 C CG2 . VAL A 158 ? 1.3678 1.2374 1.0915 0.0434 0.1302 0.1200 159 VAL A CG2 +1119 N N . VAL A 159 ? 1.5084 1.3415 1.1552 0.0696 0.2058 0.1624 160 VAL A N +1120 C CA . VAL A 159 ? 1.6066 1.4222 1.2098 0.0799 0.2330 0.1726 160 VAL A CA +1121 C C . VAL A 159 ? 1.6157 1.4336 1.2668 0.0842 0.2622 0.1909 160 VAL A C +1122 O O . VAL A 159 ? 1.6194 1.4337 1.2798 0.0880 0.2818 0.1890 160 VAL A O +1123 C CB . VAL A 159 ? 1.6791 1.4816 1.2261 0.0844 0.2291 0.1814 160 VAL A CB +1124 C CG1 . VAL A 159 ? 1.7328 1.5171 1.2440 0.0957 0.2608 0.1995 160 VAL A CG1 +1125 C CG2 . VAL A 159 ? 1.6954 1.4909 1.1901 0.0824 0.2050 0.1632 160 VAL A CG2 +1126 N N . ASP A 160 ? 1.6179 1.4418 1.3038 0.0834 0.2644 0.2080 161 ASP A N +1127 C CA . ASP A 160 ? 1.6238 1.4525 1.3701 0.0861 0.2889 0.2276 161 ASP A CA +1128 C C . ASP A 160 ? 1.5555 1.3859 1.3330 0.0873 0.3045 0.2219 161 ASP A C +1129 O O . ASP A 160 ? 1.5290 1.3479 1.2911 0.0965 0.3369 0.2323 161 ASP A O +1130 C CB . ASP A 160 ? 1.6357 1.4796 1.4437 0.0783 0.2698 0.2314 161 ASP A CB +1131 C CG . ASP A 160 ? 1.6841 1.5335 1.5625 0.0800 0.2898 0.2522 161 ASP A CG +1132 O OD1 . ASP A 160 ? 1.7231 1.5708 1.6270 0.0843 0.3139 0.2583 161 ASP A OD1 +1133 O OD2 . ASP A 160 ? 1.6641 1.5197 1.5766 0.0770 0.2808 0.2623 161 ASP A OD2 +1134 N N . VAL A 161 ? 1.5073 1.3502 1.3232 0.0788 0.2822 0.2055 162 VAL A N +1135 C CA . VAL A 161 ? 1.5036 1.3522 1.3739 0.0775 0.2907 0.2029 162 VAL A CA +1136 C C . VAL A 161 ? 1.5300 1.3701 1.3601 0.0809 0.2976 0.1886 162 VAL A C +1137 O O . VAL A 161 ? 1.4897 1.3345 1.3627 0.0793 0.3016 0.1845 162 VAL A O +1138 C CB . VAL A 161 ? 1.4441 1.3077 1.3715 0.0668 0.2601 0.1929 162 VAL A CB +1139 C CG1 . VAL A 161 ? 1.4453 1.3114 1.3385 0.0602 0.2309 0.1694 162 VAL A CG1 +1140 C CG2 . VAL A 161 ? 1.4433 1.3133 1.4456 0.0654 0.2680 0.1986 162 VAL A CG2 +1141 N N . LEU A 162 ? 1.6088 1.4357 1.3629 0.0855 0.2989 0.1816 163 LEU A N +1142 C CA . LEU A 162 ? 1.6699 1.4879 1.3821 0.0876 0.2987 0.1640 163 LEU A CA +1143 C C . LEU A 162 ? 1.7569 1.5668 1.4856 0.0959 0.3338 0.1704 163 LEU A C +1144 O O . LEU A 162 ? 1.7497 1.5565 1.4721 0.0961 0.3335 0.1559 163 LEU A O +1145 C CB . LEU A 162 ? 1.6455 1.4484 1.2748 0.0916 0.2921 0.1573 163 LEU A CB +1146 N N . ASP A 163 ? 1.8402 1.6470 1.5941 0.1027 0.3641 0.1921 164 ASP A N +1147 C CA . ASP A 163 ? 1.9114 1.7081 1.6780 0.1128 0.4046 0.2013 164 ASP A CA +1148 C C . ASP A 163 ? 1.8632 1.6753 1.7245 0.1082 0.4076 0.2060 164 ASP A C +1149 O O . ASP A 163 ? 1.9261 1.7327 1.8064 0.1141 0.4332 0.2064 164 ASP A O +1150 C CB . ASP A 163 ? 1.9957 1.7782 1.7325 0.1237 0.4384 0.2236 164 ASP A CB +1151 C CG . ASP A 163 ? 2.0532 1.8187 1.6948 0.1277 0.4299 0.2187 164 ASP A CG +1152 O OD1 . ASP A 163 ? 2.0640 1.8373 1.6957 0.1202 0.3986 0.2160 164 ASP A OD1 +1153 O OD2 . ASP A 163 ? 2.0662 1.8096 1.6443 0.1384 0.4533 0.2166 164 ASP A OD2 +1154 N N . SER A 164 ? 1.7499 1.5793 1.6688 0.0981 0.3812 0.2083 165 SER A N +1155 C CA . SER A 164 ? 1.6827 1.5260 1.6896 0.0918 0.3727 0.2091 165 SER A CA +1156 C C . SER A 164 ? 1.6427 1.4895 1.6418 0.0851 0.3464 0.1862 165 SER A C +1157 O O . SER A 164 ? 1.5679 1.4254 1.6323 0.0785 0.3311 0.1842 165 SER A O +1158 C CB . SER A 164 ? 1.6493 1.5059 1.7145 0.0841 0.3524 0.2183 165 SER A CB +1159 O OG . SER A 164 ? 1.5966 1.4615 1.6537 0.0735 0.3103 0.2005 165 SER A OG +1160 N N . ILE A 165 ? 1.6316 1.4692 1.5553 0.0867 0.3397 0.1703 166 ILE A N +1161 C CA . ILE A 165 ? 1.6028 1.4403 1.5122 0.0830 0.3231 0.1502 166 ILE A CA +1162 C C . ILE A 165 ? 1.6303 1.4496 1.4656 0.0920 0.3415 0.1412 166 ILE A C +1163 O O . ILE A 165 ? 1.5921 1.4080 1.3743 0.0889 0.3195 0.1252 166 ILE A O +1164 C CB . ILE A 165 ? 1.5718 1.4200 1.4740 0.0716 0.2803 0.1361 166 ILE A CB +1165 C CG1 . ILE A 165 ? 1.5633 1.4082 1.4066 0.0709 0.2677 0.1336 166 ILE A CG1 +1166 C CG2 . ILE A 165 ? 1.5262 1.3885 1.5016 0.0633 0.2613 0.1413 166 ILE A CG2 +1167 C CD1 . ILE A 165 ? 1.5176 1.3656 1.3256 0.0639 0.2360 0.1149 166 ILE A CD1 +1168 N N . LYS A 166 ? 1.6596 1.4665 1.4926 0.1031 0.3808 0.1507 167 LYS A N +1169 C CA . LYS A 166 ? 1.6637 1.4484 1.4212 0.1138 0.4025 0.1427 167 LYS A CA +1170 C C . LYS A 166 ? 1.6360 1.4177 1.3758 0.1110 0.3863 0.1200 167 LYS A C +1171 O O . LYS A 166 ? 1.5821 1.3510 1.2503 0.1128 0.3753 0.1057 167 LYS A O +1172 C CB . LYS A 166 ? 1.6537 1.4259 1.4232 0.1265 0.4511 0.1580 167 LYS A CB +1173 N N . THR A 167 ? 1.6218 1.4148 1.4275 0.1064 0.3826 0.1175 168 THR A N +1174 C CA . THR A 167 ? 1.6390 1.4272 1.4440 0.1068 0.3800 0.1006 168 THR A CA +1175 C C . THR A 167 ? 1.5607 1.3666 1.4045 0.0936 0.3407 0.0917 168 THR A C +1176 O O . THR A 167 ? 1.5112 1.3326 1.3954 0.0854 0.3212 0.1004 168 THR A O +1177 C CB . THR A 167 ? 1.6697 1.4521 1.5210 0.1153 0.4178 0.1077 168 THR A CB +1178 O OG1 . THR A 167 ? 1.6273 1.4284 1.5695 0.1082 0.4101 0.1195 168 THR A OG1 +1179 C CG2 . THR A 167 ? 1.7156 1.4812 1.5388 0.1289 0.4617 0.1209 168 THR A CG2 +1180 N N . LYS A 168 ? 1.5382 1.3402 1.3693 0.0923 0.3305 0.0753 169 LYS A N +1181 C CA . LYS A 168 ? 1.4660 1.2813 1.3249 0.0810 0.2952 0.0662 169 LYS A CA +1182 C C . LYS A 168 ? 1.4258 1.2561 1.3688 0.0753 0.2900 0.0786 169 LYS A C +1183 O O . LYS A 168 ? 1.4738 1.3014 1.4618 0.0812 0.3167 0.0869 169 LYS A O +1184 C CB . LYS A 168 ? 1.3760 1.1825 1.2186 0.0829 0.2942 0.0499 169 LYS A CB +1185 N N . GLY A 169 ? 1.3763 1.2204 1.3393 0.0648 0.2576 0.0802 170 GLY A N +1186 C CA . GLY A 169 ? 1.3068 1.1631 1.3448 0.0578 0.2427 0.0888 170 GLY A CA +1187 C C . GLY A 169 ? 1.2834 1.1462 1.3557 0.0566 0.2441 0.1035 170 GLY A C +1188 O O . GLY A 169 ? 1.2818 1.1544 1.3978 0.0480 0.2173 0.1066 170 GLY A O +1189 N N . LYS A 170 ? 1.3020 1.1584 1.3564 0.0648 0.2731 0.1126 171 LYS A N +1190 C CA . LYS A 170 ? 1.3056 1.1677 1.3954 0.0643 0.2772 0.1285 171 LYS A CA +1191 C C . LYS A 170 ? 1.3151 1.1837 1.3779 0.0558 0.2434 0.1225 171 LYS A C +1192 O O . LYS A 170 ? 1.3173 1.1822 1.3155 0.0549 0.2322 0.1098 171 LYS A O +1193 C CB . LYS A 170 ? 1.2896 1.1417 1.3577 0.0756 0.3172 0.1405 171 LYS A CB +1194 N N . SER A 171 ? 1.3077 1.1850 1.4213 0.0500 0.2272 0.1306 172 SER A N +1195 C CA . SER A 171 ? 1.2647 1.1471 1.3619 0.0429 0.1982 0.1262 172 SER A CA +1196 C C . SER A 171 ? 1.2848 1.1705 1.4257 0.0435 0.2046 0.1415 172 SER A C +1197 O O . SER A 171 ? 1.3122 1.1967 1.4953 0.0496 0.2327 0.1566 172 SER A O +1198 C CB . SER A 171 ? 1.2157 1.1032 1.3285 0.0334 0.1621 0.1155 172 SER A CB +1199 O OG . SER A 171 ? 1.1814 1.0735 1.3583 0.0286 0.1468 0.1228 172 SER A OG +1200 N N . ALA A 172 ? 1.3133 1.2027 1.4475 0.0377 0.1802 0.1379 173 ALA A N +1201 C CA . ALA A 172 ? 1.3177 1.2100 1.4893 0.0376 0.1816 0.1503 173 ALA A CA +1202 C C . ALA A 172 ? 1.2922 1.1876 1.4649 0.0291 0.1450 0.1398 173 ALA A C +1203 O O . ALA A 172 ? 1.2912 1.1859 1.4131 0.0255 0.1265 0.1245 173 ALA A O +1204 C CB . ALA A 172 ? 1.3257 1.2136 1.4562 0.0450 0.2078 0.1598 173 ALA A CB +1205 N N . ASP A 173 ? 1.2813 1.1793 1.5111 0.0264 0.1360 0.1477 174 ASP A N +1206 C CA . ASP A 173 ? 1.2525 1.1508 1.4781 0.0208 0.1084 0.1394 174 ASP A CA +1207 C C . ASP A 173 ? 1.2321 1.1295 1.3983 0.0244 0.1198 0.1392 174 ASP A C +1208 O O . ASP A 173 ? 1.2424 1.1387 1.3993 0.0314 0.1500 0.1528 174 ASP A O +1209 C CB . ASP A 173 ? 1.2852 1.1848 1.5831 0.0192 0.1029 0.1504 174 ASP A CB +1210 C CG . ASP A 173 ? 1.3407 1.2397 1.7042 0.0139 0.0806 0.1490 174 ASP A CG +1211 O OD1 . ASP A 173 ? 1.3138 1.2111 1.6624 0.0104 0.0645 0.1379 174 ASP A OD1 +1212 O OD2 . ASP A 173 ? 1.3861 1.2859 1.8182 0.0131 0.0783 0.1600 174 ASP A OD2 +1213 N N . PHE A 174 ? 1.1972 1.0940 1.3262 0.0201 0.0973 0.1250 175 PHE A N +1214 C CA . PHE A 174 ? 1.1550 1.0512 1.2322 0.0224 0.1022 0.1235 175 PHE A CA +1215 C C . PHE A 174 ? 1.1416 1.0375 1.2080 0.0167 0.0742 0.1089 175 PHE A C +1216 O O . PHE A 174 ? 1.1995 1.0942 1.2245 0.0139 0.0606 0.0942 175 PHE A O +1217 C CB . PHE A 174 ? 1.1500 1.0441 1.1652 0.0257 0.1135 0.1184 175 PHE A CB +1218 C CG . PHE A 174 ? 1.1387 1.0308 1.1051 0.0291 0.1210 0.1204 175 PHE A CG +1219 C CD1 . PHE A 174 ? 1.1727 1.0633 1.1474 0.0342 0.1397 0.1371 175 PHE A CD1 +1220 C CD2 . PHE A 174 ? 1.1395 1.0307 1.0535 0.0273 0.1092 0.1071 175 PHE A CD2 +1221 C CE1 . PHE A 174 ? 1.1782 1.0659 1.1078 0.0373 0.1440 0.1400 175 PHE A CE1 +1222 C CE2 . PHE A 174 ? 1.1559 1.0447 1.0297 0.0303 0.1136 0.1096 175 PHE A CE2 +1223 C CZ . PHE A 174 ? 1.1603 1.0469 1.0405 0.0351 0.1298 0.1258 175 PHE A CZ +1224 N N . THR A 175 ? 1.1175 1.0134 1.2206 0.0156 0.0678 0.1133 176 THR A N +1225 C CA . THR A 175 ? 1.0846 0.9777 1.1880 0.0108 0.0417 0.0991 176 THR A CA +1226 C C . THR A 175 ? 1.0656 0.9597 1.1486 0.0129 0.0467 0.1015 176 THR A C +1227 O O . THR A 175 ? 1.0181 0.9145 1.0912 0.0179 0.0688 0.1166 176 THR A O +1228 C CB . THR A 175 ? 1.0789 0.9690 1.2467 0.0072 0.0249 0.0991 176 THR A CB +1229 O OG1 . THR A 175 ? 1.0801 0.9730 1.2972 0.0103 0.0406 0.1175 176 THR A OG1 +1230 C CG2 . THR A 175 ? 1.0605 0.9495 1.2509 0.0049 0.0175 0.0977 176 THR A CG2 +1231 N N . ASN A 176 ? 1.0599 0.9507 1.1335 0.0095 0.0266 0.0866 177 ASN A N +1232 C CA . ASN A 176 ? 1.0791 0.9699 1.1378 0.0106 0.0259 0.0850 177 ASN A CA +1233 C C . ASN A 176 ? 1.0838 0.9784 1.0991 0.0147 0.0440 0.0938 177 ASN A C +1234 O O . ASN A 176 ? 1.1327 1.0284 1.1509 0.0172 0.0508 0.1031 177 ASN A O +1235 C CB . ASN A 176 ? 1.1169 1.0071 1.2312 0.0110 0.0249 0.0942 177 ASN A CB +1236 C CG . ASN A 176 ? 1.1812 1.0653 1.3380 0.0067 0.0028 0.0835 177 ASN A CG +1237 O OD1 . ASN A 176 ? 1.2331 1.1172 1.4475 0.0066 0.0037 0.0944 177 ASN A OD1 +1238 N ND2 . ASN A 176 ? 1.2496 1.1270 1.3781 0.0035 -0.0174 0.0625 177 ASN A ND2 +1239 N N . PHE A 177 ? 1.0932 0.9883 1.0685 0.0154 0.0491 0.0902 178 PHE A N +1240 C CA . PHE A 177 ? 1.0887 0.9847 1.0146 0.0184 0.0583 0.0924 178 PHE A CA +1241 C C . PHE A 177 ? 1.0738 0.9696 0.9745 0.0156 0.0432 0.0773 178 PHE A C +1242 O O . PHE A 177 ? 1.0791 0.9734 0.9738 0.0120 0.0298 0.0625 178 PHE A O +1243 C CB . PHE A 177 ? 1.1033 0.9986 0.9977 0.0200 0.0675 0.0920 178 PHE A CB +1244 C CG . PHE A 177 ? 1.1378 1.0315 0.9842 0.0233 0.0745 0.0943 178 PHE A CG +1245 C CD1 . PHE A 177 ? 1.1438 1.0348 0.9830 0.0285 0.0896 0.1103 178 PHE A CD1 +1246 C CD2 . PHE A 177 ? 1.1365 1.0303 0.9465 0.0212 0.0643 0.0812 178 PHE A CD2 +1247 C CE1 . PHE A 177 ? 1.1690 1.0562 0.9623 0.0314 0.0918 0.1119 178 PHE A CE1 +1248 C CE2 . PHE A 177 ? 1.1396 1.0310 0.9105 0.0239 0.0672 0.0831 178 PHE A CE2 +1249 C CZ . PHE A 177 ? 1.1671 1.0545 0.9284 0.0289 0.0794 0.0978 178 PHE A CZ +1250 N N . ASP A 178 ? 1.0406 0.9372 0.9284 0.0176 0.0457 0.0821 179 ASP A N +1251 C CA . ASP A 178 ? 1.0068 0.9037 0.8759 0.0159 0.0348 0.0703 179 ASP A CA +1252 C C . ASP A 178 ? 0.9976 0.8952 0.8223 0.0171 0.0374 0.0691 179 ASP A C +1253 O O . ASP A 178 ? 1.0118 0.9090 0.8219 0.0202 0.0437 0.0800 179 ASP A O +1254 C CB . ASP A 178 ? 1.0242 0.9216 0.9149 0.0172 0.0341 0.0766 179 ASP A CB +1255 C CG . ASP A 178 ? 1.0502 0.9472 0.9344 0.0154 0.0234 0.0625 179 ASP A CG +1256 O OD1 . ASP A 178 ? 1.0434 0.9403 0.8980 0.0140 0.0193 0.0509 179 ASP A OD1 +1257 O OD2 . ASP A 178 ? 1.0944 0.9906 1.0056 0.0158 0.0203 0.0635 179 ASP A OD2 +1258 N N . PRO A 179 ? 0.9811 0.8788 0.7834 0.0147 0.0312 0.0564 180 PRO A N +1259 C CA . PRO A 179 ? 0.9778 0.8759 0.7434 0.0155 0.0321 0.0548 180 PRO A CA +1260 C C . PRO A 179 ? 0.9767 0.8759 0.7329 0.0163 0.0279 0.0556 180 PRO A C +1261 O O . PRO A 179 ? 0.9983 0.8965 0.7286 0.0176 0.0279 0.0579 180 PRO A O +1262 C CB . PRO A 179 ? 0.9612 0.8596 0.7154 0.0122 0.0251 0.0413 180 PRO A CB +1263 C CG . PRO A 179 ? 0.9362 0.8330 0.7147 0.0097 0.0175 0.0335 180 PRO A CG +1264 C CD . PRO A 179 ? 0.9443 0.8405 0.7554 0.0112 0.0222 0.0439 180 PRO A CD +1265 N N . ARG A 180 ? 0.9527 0.8529 0.7318 0.0156 0.0237 0.0535 181 ARG A N +1266 C CA . ARG A 180 ? 0.9591 0.8607 0.7365 0.0163 0.0197 0.0548 181 ARG A CA +1267 C C . ARG A 180 ? 0.9653 0.8652 0.7361 0.0196 0.0231 0.0714 181 ARG A C +1268 O O . ARG A 180 ? 0.9549 0.8552 0.7217 0.0202 0.0176 0.0744 181 ARG A O +1269 C CB . ARG A 180 ? 0.9340 0.8360 0.7415 0.0157 0.0161 0.0492 181 ARG A CB +1270 C CG . ARG A 180 ? 0.8984 0.7984 0.7068 0.0134 0.0123 0.0322 181 ARG A CG +1271 C CD . ARG A 180 ? 0.9050 0.8022 0.7430 0.0138 0.0098 0.0268 181 ARG A CD +1272 N NE . ARG A 180 ? 0.9001 0.7947 0.7641 0.0136 0.0089 0.0308 181 ARG A NE +1273 C CZ . ARG A 180 ? 0.9088 0.7984 0.8002 0.0134 0.0040 0.0230 181 ARG A CZ +1274 N NH1 . ARG A 180 ? 0.9322 0.8180 0.8251 0.0139 0.0015 0.0098 181 ARG A NH1 +1275 N NH2 . ARG A 180 ? 0.9028 0.7905 0.8225 0.0131 0.0023 0.0283 181 ARG A NH2 +1276 N N . GLY A 181 ? 1.0113 0.9085 0.7822 0.0219 0.0320 0.0826 182 GLY A N +1277 C CA . GLY A 181 ? 1.0383 0.9309 0.7941 0.0260 0.0378 0.0997 182 GLY A CA +1278 C C . GLY A 181 ? 1.0700 0.9575 0.7819 0.0276 0.0356 0.0988 182 GLY A C +1279 O O . GLY A 181 ? 1.1063 0.9872 0.7962 0.0312 0.0363 0.1108 182 GLY A O +1280 N N . LEU A 182 ? 1.0765 0.9658 0.7757 0.0251 0.0319 0.0848 183 LEU A N +1281 C CA . LEU A 182 ? 1.0892 0.9731 0.7506 0.0262 0.0291 0.0810 183 LEU A CA +1282 C C . LEU A 182 ? 1.0557 0.9416 0.7118 0.0239 0.0147 0.0740 183 LEU A C +1283 O O . LEU A 182 ? 1.0811 0.9618 0.7094 0.0246 0.0089 0.0709 183 LEU A O +1284 C CB . LEU A 182 ? 1.1053 0.9906 0.7646 0.0247 0.0347 0.0717 183 LEU A CB +1285 C CG . LEU A 182 ? 1.1252 1.0087 0.7956 0.0271 0.0493 0.0792 183 LEU A CG +1286 C CD1 . LEU A 182 ? 1.0864 0.9724 0.7644 0.0248 0.0516 0.0698 183 LEU A CD1 +1287 C CD2 . LEU A 182 ? 1.1809 1.0542 0.8212 0.0330 0.0599 0.0909 183 LEU A CD2 +1288 N N . LEU A 183 ? 1.0213 0.9135 0.7055 0.0217 0.0095 0.0718 184 LEU A N +1289 C CA . LEU A 183 ? 1.0178 0.9130 0.7073 0.0196 -0.0014 0.0658 184 LEU A CA +1290 C C . LEU A 183 ? 1.0573 0.9478 0.7408 0.0218 -0.0107 0.0772 184 LEU A C +1291 O O . LEU A 183 ? 1.1144 1.0008 0.7967 0.0245 -0.0074 0.0895 184 LEU A O +1292 C CB . LEU A 183 ? 0.9736 0.8758 0.6959 0.0173 0.0000 0.0582 184 LEU A CB +1293 C CG . LEU A 183 ? 0.9414 0.8458 0.6656 0.0152 0.0057 0.0466 184 LEU A CG +1294 C CD1 . LEU A 183 ? 0.9279 0.8352 0.6749 0.0138 0.0063 0.0372 184 LEU A CD1 +1295 C CD2 . LEU A 183 ? 0.9194 0.8233 0.6200 0.0139 0.0042 0.0405 184 LEU A CD2 +1296 N N . PRO A 184 ? 1.0965 0.9863 0.7764 0.0208 -0.0233 0.0748 185 PRO A N +1297 C CA . PRO A 184 ? 1.1302 1.0154 0.8113 0.0222 -0.0360 0.0856 185 PRO A CA +1298 C C . PRO A 184 ? 1.1183 1.0120 0.8434 0.0204 -0.0379 0.0850 185 PRO A C +1299 O O . PRO A 184 ? 1.1212 1.0222 0.8667 0.0186 -0.0291 0.0748 185 PRO A O +1300 C CB . PRO A 184 ? 1.1524 1.0311 0.8093 0.0219 -0.0500 0.0816 185 PRO A CB +1301 C CG . PRO A 184 ? 1.1564 1.0397 0.8087 0.0196 -0.0425 0.0679 185 PRO A CG +1302 C CD . PRO A 184 ? 1.1065 0.9988 0.7821 0.0182 -0.0276 0.0633 185 PRO A CD +1303 N N . GLU A 185 ? 1.1483 1.0395 0.8856 0.0213 -0.0497 0.0958 186 GLU A N +1304 C CA . GLU A 185 ? 1.1583 1.0565 0.9416 0.0204 -0.0514 0.0971 186 GLU A CA +1305 C C . GLU A 185 ? 1.1400 1.0440 0.9443 0.0180 -0.0558 0.0872 186 GLU A C +1306 O O . GLU A 185 ? 1.2039 1.1142 1.0474 0.0176 -0.0514 0.0844 186 GLU A O +1307 C CB . GLU A 185 ? 1.1788 1.0717 0.9695 0.0223 -0.0631 0.1144 186 GLU A CB +1308 C CG . GLU A 185 ? 1.1626 1.0524 0.9476 0.0248 -0.0537 0.1255 186 GLU A CG +1309 N N . SER A 186 ? 1.1079 1.0092 0.8898 0.0169 -0.0628 0.0822 187 SER A N +1310 C CA . SER A 186 ? 1.0851 0.9918 0.8881 0.0146 -0.0655 0.0741 187 SER A CA +1311 C C . SER A 186 ? 1.1016 1.0101 0.8831 0.0133 -0.0554 0.0623 187 SER A C +1312 O O . SER A 186 ? 1.1100 1.0116 0.8562 0.0135 -0.0611 0.0618 187 SER A O +1313 C CB . SER A 186 ? 1.0916 0.9931 0.8969 0.0141 -0.0874 0.0804 187 SER A CB +1314 O OG . SER A 186 ? 1.0530 0.9601 0.8831 0.0119 -0.0889 0.0738 187 SER A OG +1315 N N . LEU A 187 ? 1.0704 0.9861 0.8713 0.0123 -0.0415 0.0534 188 LEU A N +1316 C CA . LEU A 187 ? 1.0623 0.9796 0.8461 0.0108 -0.0321 0.0434 188 LEU A CA +1317 C C . LEU A 187 ? 1.0326 0.9533 0.8336 0.0092 -0.0361 0.0414 188 LEU A C +1318 O O . LEU A 187 ? 1.0135 0.9384 0.8213 0.0085 -0.0236 0.0347 188 LEU A O +1319 C CB . LEU A 187 ? 1.0966 1.0169 0.8862 0.0112 -0.0154 0.0355 188 LEU A CB +1320 C CG . LEU A 187 ? 1.1349 1.0523 0.9158 0.0124 -0.0111 0.0365 188 LEU A CG +1321 C CD1 . LEU A 187 ? 1.1369 1.0533 0.8993 0.0116 -0.0018 0.0275 188 LEU A CD1 +1322 C CD2 . LEU A 187 ? 1.1759 1.0884 0.9389 0.0135 -0.0201 0.0470 188 LEU A CD2 +1323 N N . ASP A 188 ? 1.0446 0.9626 0.8539 0.0088 -0.0536 0.0478 189 ASP A N +1324 C CA . ASP A 188 ? 1.0414 0.9616 0.8708 0.0069 -0.0610 0.0470 189 ASP A CA +1325 C C . ASP A 188 ? 0.9979 0.9134 0.7931 0.0058 -0.0642 0.0418 189 ASP A C +1326 O O . ASP A 188 ? 1.0355 0.9432 0.7950 0.0070 -0.0698 0.0423 189 ASP A O +1327 C CB . ASP A 188 ? 1.1163 1.0332 0.9687 0.0066 -0.0831 0.0554 189 ASP A CB +1328 C CG . ASP A 188 ? 1.1333 1.0564 1.0344 0.0073 -0.0807 0.0612 189 ASP A CG +1329 O OD1 . ASP A 188 ? 1.1235 1.0542 1.0487 0.0078 -0.0607 0.0569 189 ASP A OD1 +1330 O OD2 . ASP A 188 ? 1.1857 1.1045 1.0989 0.0077 -0.0988 0.0700 189 ASP A OD2 +1331 N N . TYR A 189 ? 0.9329 0.8527 0.7400 0.0040 -0.0594 0.0377 190 TYR A N +1332 C CA . TYR A 189 ? 0.9044 0.8214 0.6825 0.0029 -0.0572 0.0317 190 TYR A CA +1333 C C . TYR A 189 ? 0.8751 0.7945 0.6756 0.0007 -0.0627 0.0311 190 TYR A C +1334 O O . TYR A 189 ? 0.8778 0.8040 0.7169 0.0002 -0.0575 0.0346 190 TYR A O +1335 C CB . TYR A 189 ? 0.9071 0.8275 0.6698 0.0033 -0.0373 0.0269 190 TYR A CB +1336 C CG . TYR A 189 ? 0.8893 0.8167 0.6737 0.0028 -0.0212 0.0251 190 TYR A CG +1337 C CD1 . TYR A 189 ? 0.9274 0.8570 0.7143 0.0011 -0.0164 0.0236 190 TYR A CD1 +1338 C CD2 . TYR A 189 ? 0.8977 0.8280 0.6974 0.0045 -0.0094 0.0248 190 TYR A CD2 +1339 C CE1 . TYR A 189 ? 0.9399 0.8739 0.7405 0.0015 0.0007 0.0232 190 TYR A CE1 +1340 C CE2 . TYR A 189 ? 0.9099 0.8435 0.7226 0.0052 0.0076 0.0223 190 TYR A CE2 +1341 C CZ . TYR A 189 ? 0.9270 0.8621 0.7379 0.0039 0.0133 0.0221 190 TYR A CZ +1342 O OH . TYR A 189 ? 0.9601 0.8968 0.7789 0.0052 0.0319 0.0210 190 TYR A OH +1343 N N . TRP A 190 ? 0.8814 0.7943 0.6606 -0.0001 -0.0728 0.0273 191 TRP A N +1344 C CA . TRP A 190 ? 0.8896 0.8046 0.6835 -0.0024 -0.0738 0.0252 191 TRP A CA +1345 C C . TRP A 190 ? 0.8812 0.7998 0.6566 -0.0028 -0.0551 0.0215 191 TRP A C +1346 O O . TRP A 190 ? 0.9293 0.8452 0.6745 -0.0014 -0.0491 0.0187 191 TRP A O +1347 C CB . TRP A 190 ? 0.9220 0.8258 0.7001 -0.0027 -0.0956 0.0214 191 TRP A CB +1348 C CG . TRP A 190 ? 0.9478 0.8438 0.7340 -0.0021 -0.1188 0.0245 191 TRP A CG +1349 C CD1 . TRP A 190 ? 0.9570 0.8554 0.7879 -0.0038 -0.1324 0.0294 191 TRP A CD1 +1350 C CD2 . TRP A 190 ? 0.9605 0.8434 0.7089 0.0005 -0.1325 0.0240 191 TRP A CD2 +1351 N NE1 . TRP A 190 ? 0.9781 0.8655 0.8013 -0.0027 -0.1564 0.0315 191 TRP A NE1 +1352 C CE2 . TRP A 190 ? 0.9716 0.8486 0.7410 0.0001 -0.1565 0.0284 191 TRP A CE2 +1353 C CE3 . TRP A 190 ? 0.9804 0.8552 0.6805 0.0035 -0.1264 0.0212 191 TRP A CE3 +1354 C CZ2 . TRP A 190 ? 0.9891 0.8513 0.7267 0.0027 -0.1754 0.0302 191 TRP A CZ2 +1355 C CZ3 . TRP A 190 ? 1.0145 0.8753 0.6845 0.0064 -0.1417 0.0235 191 TRP A CZ3 +1356 C CH2 . TRP A 190 ? 0.9991 0.8530 0.6844 0.0061 -0.1663 0.0280 191 TRP A CH2 +1357 N N . THR A 191 ? 0.8573 0.7813 0.6515 -0.0047 -0.0471 0.0225 192 THR A N +1358 C CA . THR A 191 ? 0.8476 0.7736 0.6237 -0.0053 -0.0321 0.0202 192 THR A CA +1359 C C . THR A 191 ? 0.8308 0.7581 0.6233 -0.0076 -0.0345 0.0217 192 THR A C +1360 O O . THR A 191 ? 0.8326 0.7638 0.6619 -0.0086 -0.0371 0.0267 192 THR A O +1361 C CB . THR A 191 ? 0.8556 0.7870 0.6351 -0.0043 -0.0120 0.0222 192 THR A CB +1362 O OG1 . THR A 191 ? 0.9066 0.8382 0.6703 -0.0052 -0.0014 0.0214 192 THR A OG1 +1363 C CG2 . THR A 191 ? 0.8509 0.7881 0.6697 -0.0039 -0.0049 0.0280 192 THR A CG2 +1364 N N . TYR A 192 ? 0.8213 0.7456 0.5916 -0.0084 -0.0333 0.0182 193 TYR A N +1365 C CA . TYR A 192 ? 0.8222 0.7472 0.6071 -0.0107 -0.0354 0.0197 193 TYR A CA +1366 C C . TYR A 192 ? 0.8072 0.7318 0.5686 -0.0112 -0.0256 0.0187 193 TYR A C +1367 O O . TYR A 192 ? 0.8093 0.7307 0.5425 -0.0100 -0.0230 0.0145 193 TYR A O +1368 C CB . TYR A 192 ? 0.8392 0.7564 0.6271 -0.0112 -0.0563 0.0145 193 TYR A CB +1369 C CG . TYR A 192 ? 0.8317 0.7398 0.5826 -0.0097 -0.0616 0.0062 193 TYR A CG +1370 C CD1 . TYR A 192 ? 0.8346 0.7368 0.5578 -0.0070 -0.0645 0.0027 193 TYR A CD1 +1371 C CD2 . TYR A 192 ? 0.8324 0.7370 0.5789 -0.0107 -0.0629 0.0027 193 TYR A CD2 +1372 C CE1 . TYR A 192 ? 0.8502 0.7432 0.5412 -0.0049 -0.0663 -0.0038 193 TYR A CE1 +1373 C CE2 . TYR A 192 ? 0.8450 0.7406 0.5609 -0.0087 -0.0652 -0.0049 193 TYR A CE2 +1374 C CZ . TYR A 192 ? 0.8566 0.7462 0.5441 -0.0055 -0.0660 -0.0081 193 TYR A CZ +1375 O OH . TYR A 192 ? 0.8937 0.7739 0.5522 -0.0027 -0.0650 -0.0145 193 TYR A OH +1376 N N . PRO A 193 ? 0.8253 0.7528 0.6010 -0.0132 -0.0203 0.0237 194 PRO A N +1377 C CA . PRO A 193 ? 0.8229 0.7490 0.5786 -0.0140 -0.0141 0.0238 194 PRO A CA +1378 C C . PRO A 193 ? 0.7925 0.7124 0.5404 -0.0145 -0.0267 0.0170 194 PRO A C +1379 O O . PRO A 193 ? 0.7810 0.6989 0.5484 -0.0153 -0.0374 0.0156 194 PRO A O +1380 C CB . PRO A 193 ? 0.8261 0.7571 0.6030 -0.0156 -0.0040 0.0339 194 PRO A CB +1381 C CG . PRO A 193 ? 0.8312 0.7658 0.6480 -0.0162 -0.0086 0.0380 194 PRO A CG +1382 C CD . PRO A 193 ? 0.8336 0.7658 0.6489 -0.0147 -0.0202 0.0310 194 PRO A CD +1383 N N . GLY A 194 ? 0.7950 0.7111 0.5175 -0.0137 -0.0249 0.0129 195 GLY A N +1384 C CA . GLY A 194 ? 0.8145 0.7233 0.5283 -0.0130 -0.0334 0.0056 195 GLY A CA +1385 C C . GLY A 194 ? 0.8305 0.7381 0.5302 -0.0131 -0.0274 0.0055 195 GLY A C +1386 O O . GLY A 194 ? 0.8819 0.7941 0.5836 -0.0150 -0.0202 0.0127 195 GLY A O +1387 N N . SER A 195 ? 0.8406 0.7412 0.5261 -0.0108 -0.0301 -0.0017 196 SER A N +1388 C CA . SER A 195 ? 0.8797 0.7778 0.5591 -0.0105 -0.0258 -0.0026 196 SER A CA +1389 C C . SER A 195 ? 0.8930 0.7864 0.5531 -0.0070 -0.0214 -0.0068 196 SER A C +1390 O O . SER A 195 ? 0.9364 0.8263 0.5841 -0.0044 -0.0233 -0.0100 196 SER A O +1391 C CB . SER A 195 ? 0.9189 0.8117 0.6092 -0.0105 -0.0310 -0.0070 196 SER A CB +1392 O OG . SER A 195 ? 0.9606 0.8433 0.6367 -0.0066 -0.0350 -0.0169 196 SER A OG +1393 N N . LEU A 196 ? 0.8796 0.7721 0.5400 -0.0068 -0.0163 -0.0059 197 LEU A N +1394 C CA . LEU A 196 ? 0.8882 0.7745 0.5380 -0.0028 -0.0101 -0.0097 197 LEU A CA +1395 C C . LEU A 196 ? 0.8820 0.7582 0.5215 0.0007 -0.0126 -0.0181 197 LEU A C +1396 O O . LEU A 196 ? 0.8801 0.7540 0.5304 -0.0003 -0.0182 -0.0214 197 LEU A O +1397 C CB . LEU A 196 ? 0.8830 0.7698 0.5460 -0.0036 -0.0058 -0.0070 197 LEU A CB +1398 C CG . LEU A 196 ? 0.8654 0.7588 0.5366 -0.0075 -0.0078 0.0004 197 LEU A CG +1399 C CD1 . LEU A 196 ? 0.8782 0.7704 0.5646 -0.0079 -0.0061 0.0031 197 LEU A CD1 +1400 C CD2 . LEU A 196 ? 0.8775 0.7735 0.5374 -0.0071 -0.0061 0.0019 197 LEU A CD2 +1401 N N . THR A 197 ? 0.8945 0.7636 0.5129 0.0051 -0.0092 -0.0212 198 THR A N +1402 C CA . THR A 197 ? 0.9272 0.7822 0.5266 0.0099 -0.0111 -0.0304 198 THR A CA +1403 C C . THR A 197 ? 0.9377 0.7856 0.5395 0.0131 -0.0006 -0.0345 198 THR A C +1404 O O . THR A 197 ? 1.0123 0.8484 0.6050 0.0161 -0.0033 -0.0439 198 THR A O +1405 C CB . THR A 197 ? 0.9432 0.7913 0.5151 0.0138 -0.0109 -0.0305 198 THR A CB +1406 O OG1 . THR A 197 ? 0.9448 0.7960 0.5142 0.0157 0.0025 -0.0241 198 THR A OG1 +1407 C CG2 . THR A 197 ? 0.9560 0.8105 0.5322 0.0106 -0.0227 -0.0271 198 THR A CG2 +1408 N N . THR A 198 ? 0.9281 0.7821 0.5445 0.0126 0.0099 -0.0283 199 THR A N +1409 C CA . THR A 198 ? 0.9554 0.8040 0.5829 0.0156 0.0214 -0.0305 199 THR A CA +1410 C C . THR A 198 ? 0.9459 0.8035 0.6066 0.0104 0.0170 -0.0259 199 THR A C +1411 O O . THR A 198 ? 0.9595 0.8276 0.6302 0.0052 0.0099 -0.0186 199 THR A O +1412 C CB . THR A 198 ? 0.9826 0.8313 0.6103 0.0190 0.0366 -0.0246 199 THR A CB +1413 O OG1 . THR A 198 ? 0.9252 0.7867 0.5712 0.0139 0.0325 -0.0153 199 THR A OG1 +1414 C CG2 . THR A 198 ? 1.0113 0.8499 0.6048 0.0250 0.0435 -0.0264 199 THR A CG2 +1415 N N . PRO A 199 ? 0.9664 0.8190 0.6440 0.0121 0.0221 -0.0295 200 PRO A N +1416 C CA . PRO A 199 ? 0.9425 0.8026 0.6535 0.0072 0.0170 -0.0235 200 PRO A CA +1417 C C . PRO A 199 ? 0.9162 0.7859 0.6397 0.0037 0.0165 -0.0126 200 PRO A C +1418 O O . PRO A 199 ? 0.9082 0.7768 0.6272 0.0068 0.0261 -0.0109 200 PRO A O +1419 C CB . PRO A 199 ? 0.9474 0.7992 0.6751 0.0116 0.0281 -0.0283 200 PRO A CB +1420 C CG . PRO A 199 ? 0.9812 0.8182 0.6776 0.0185 0.0352 -0.0408 200 PRO A CG +1421 C CD . PRO A 199 ? 0.9798 0.8178 0.6448 0.0193 0.0341 -0.0390 200 PRO A CD +1422 N N . PRO A 200 ? 0.8963 0.7739 0.6351 -0.0021 0.0055 -0.0049 201 PRO A N +1423 C CA . PRO A 200 ? 0.8839 0.7633 0.6325 -0.0058 -0.0041 -0.0039 201 PRO A CA +1424 C C . PRO A 200 ? 0.8773 0.7589 0.6107 -0.0076 -0.0111 -0.0054 201 PRO A C +1425 O O . PRO A 200 ? 0.8837 0.7691 0.6292 -0.0116 -0.0185 0.0001 201 PRO A O +1426 C CB . PRO A 200 ? 0.8994 0.7850 0.6645 -0.0108 -0.0120 0.0074 201 PRO A CB +1427 C CG . PRO A 200 ? 0.8994 0.7876 0.6514 -0.0109 -0.0108 0.0102 201 PRO A CG +1428 C CD . PRO A 200 ? 0.8950 0.7784 0.6440 -0.0053 0.0019 0.0039 201 PRO A CD +1429 N N . LEU A 201 ? 0.8631 0.7418 0.5736 -0.0047 -0.0089 -0.0115 202 LEU A N +1430 C CA . LEU A 201 ? 0.8509 0.7298 0.5535 -0.0058 -0.0163 -0.0143 202 LEU A CA +1431 C C . LEU A 201 ? 0.8437 0.7318 0.5562 -0.0110 -0.0220 -0.0045 202 LEU A C +1432 O O . LEU A 201 ? 0.8678 0.7565 0.5876 -0.0124 -0.0279 -0.0050 202 LEU A O +1433 C CB . LEU A 201 ? 0.8694 0.7398 0.5803 -0.0040 -0.0202 -0.0230 202 LEU A CB +1434 C CG . LEU A 201 ? 0.9079 0.7650 0.6018 0.0024 -0.0135 -0.0347 202 LEU A CG +1435 C CD1 . LEU A 201 ? 0.9220 0.7687 0.6236 0.0041 -0.0192 -0.0452 202 LEU A CD1 +1436 C CD2 . LEU A 201 ? 0.9336 0.7861 0.5962 0.0057 -0.0129 -0.0384 202 LEU A CD2 +1437 N N . LEU A 202 ? 0.8090 0.7024 0.5211 -0.0134 -0.0205 0.0038 203 LEU A N +1438 C CA . LEU A 202 ? 0.7829 0.6823 0.4965 -0.0173 -0.0235 0.0136 203 LEU A CA +1439 C C . LEU A 202 ? 0.7823 0.6847 0.4856 -0.0171 -0.0223 0.0132 203 LEU A C +1440 O O . LEU A 202 ? 0.7527 0.6544 0.4424 -0.0148 -0.0198 0.0084 203 LEU A O +1441 C CB . LEU A 202 ? 0.7622 0.6624 0.4689 -0.0188 -0.0237 0.0197 203 LEU A CB +1442 C CG . LEU A 202 ? 0.7608 0.6586 0.4841 -0.0200 -0.0273 0.0231 203 LEU A CG +1443 C CD1 . LEU A 202 ? 0.7618 0.6585 0.4789 -0.0213 -0.0311 0.0278 203 LEU A CD1 +1444 C CD2 . LEU A 202 ? 0.7815 0.6800 0.5211 -0.0229 -0.0323 0.0303 203 LEU A CD2 +1445 N N . GLU A 203 ? 0.8134 0.7192 0.5272 -0.0194 -0.0236 0.0194 204 GLU A N +1446 C CA . GLU A 203 ? 0.8329 0.7422 0.5468 -0.0193 -0.0217 0.0208 204 GLU A CA +1447 C C . GLU A 203 ? 0.8509 0.7626 0.5489 -0.0198 -0.0151 0.0269 204 GLU A C +1448 O O . GLU A 203 ? 0.9286 0.8421 0.6295 -0.0214 -0.0113 0.0363 204 GLU A O +1449 C CB . GLU A 203 ? 0.8452 0.7565 0.5843 -0.0213 -0.0248 0.0255 204 GLU A CB +1450 C CG . GLU A 203 ? 0.8528 0.7591 0.6068 -0.0209 -0.0325 0.0185 204 GLU A CG +1451 C CD . GLU A 203 ? 0.8817 0.7881 0.6623 -0.0220 -0.0391 0.0186 204 GLU A CD +1452 O OE1 . GLU A 203 ? 0.8934 0.8047 0.6939 -0.0247 -0.0367 0.0299 204 GLU A OE1 +1453 O OE2 . GLU A 203 ? 0.9210 0.8214 0.7024 -0.0200 -0.0472 0.0076 204 GLU A OE2 +1454 N N . CYS A 204 ? 0.8380 0.7482 0.5190 -0.0180 -0.0134 0.0221 205 CYS A N +1455 C CA . CYS A 204 ? 0.7984 0.7078 0.4618 -0.0180 -0.0090 0.0251 205 CYS A CA +1456 C C . CYS A 204 ? 0.7714 0.6815 0.4260 -0.0156 -0.0055 0.0198 205 CYS A C +1457 O O . CYS A 204 ? 0.7605 0.6678 0.4018 -0.0151 -0.0047 0.0183 205 CYS A O +1458 C CB . CYS A 204 ? 0.8141 0.7193 0.4697 -0.0187 -0.0134 0.0252 205 CYS A CB +1459 S SG . CYS A 204 ? 0.8282 0.7317 0.4884 -0.0166 -0.0155 0.0173 205 CYS A SG +1460 N N . VAL A 205 ? 0.7670 0.6798 0.4311 -0.0145 -0.0053 0.0173 206 VAL A N +1461 C CA . VAL A 205 ? 0.7599 0.6726 0.4185 -0.0120 -0.0048 0.0121 206 VAL A CA +1462 C C . VAL A 205 ? 0.7697 0.6862 0.4400 -0.0115 -0.0025 0.0139 206 VAL A C +1463 O O . VAL A 205 ? 0.8094 0.7273 0.4961 -0.0124 -0.0068 0.0152 206 VAL A O +1464 C CB . VAL A 205 ? 0.7432 0.6525 0.3998 -0.0103 -0.0101 0.0066 206 VAL A CB +1465 C CG1 . VAL A 205 ? 0.7430 0.6518 0.3954 -0.0079 -0.0108 0.0040 206 VAL A CG1 +1466 C CG2 . VAL A 205 ? 0.7301 0.6362 0.3800 -0.0100 -0.0093 0.0055 206 VAL A CG2 +1467 N N . THR A 206 ? 0.7622 0.6795 0.4276 -0.0101 0.0033 0.0135 207 THR A N +1468 C CA . THR A 206 ? 0.7551 0.6757 0.4348 -0.0088 0.0054 0.0144 207 THR A CA +1469 C C . THR A 206 ? 0.7475 0.6663 0.4236 -0.0071 -0.0016 0.0101 207 THR A C +1470 O O . THR A 206 ? 0.7664 0.6833 0.4302 -0.0059 0.0009 0.0079 207 THR A O +1471 C CB . THR A 206 ? 0.7713 0.6920 0.4463 -0.0075 0.0172 0.0156 207 THR A CB +1472 O OG1 . THR A 206 ? 0.8070 0.7268 0.4773 -0.0086 0.0239 0.0206 207 THR A OG1 +1473 C CG2 . THR A 206 ? 0.7710 0.6954 0.4662 -0.0059 0.0210 0.0169 207 THR A CG2 +1474 N N . TRP A 207 ? 0.7378 0.6554 0.4220 -0.0070 -0.0112 0.0092 208 TRP A N +1475 C CA . TRP A 207 ? 0.7503 0.6635 0.4246 -0.0048 -0.0183 0.0064 208 TRP A CA +1476 C C . TRP A 207 ? 0.7756 0.6919 0.4619 -0.0037 -0.0173 0.0089 208 TRP A C +1477 O O . TRP A 207 ? 0.8012 0.7221 0.5097 -0.0045 -0.0149 0.0121 208 TRP A O +1478 C CB . TRP A 207 ? 0.7554 0.6625 0.4273 -0.0043 -0.0308 0.0033 208 TRP A CB +1479 C CG . TRP A 207 ? 0.7555 0.6573 0.4112 -0.0038 -0.0301 -0.0005 208 TRP A CG +1480 C CD1 . TRP A 207 ? 0.7586 0.6605 0.4208 -0.0057 -0.0303 -0.0016 208 TRP A CD1 +1481 C CD2 . TRP A 207 ? 0.7557 0.6518 0.3902 -0.0011 -0.0267 -0.0028 208 TRP A CD2 +1482 N NE1 . TRP A 207 ? 0.7570 0.6534 0.4044 -0.0042 -0.0280 -0.0052 208 TRP A NE1 +1483 C CE2 . TRP A 207 ? 0.7674 0.6602 0.3979 -0.0013 -0.0248 -0.0059 208 TRP A CE2 +1484 C CE3 . TRP A 207 ? 0.7876 0.6809 0.4091 0.0016 -0.0244 -0.0014 208 TRP A CE3 +1485 C CZ2 . TRP A 207 ? 0.8165 0.7030 0.4313 0.0016 -0.0194 -0.0081 208 TRP A CZ2 +1486 C CZ3 . TRP A 207 ? 0.8131 0.7004 0.4179 0.0044 -0.0186 -0.0024 208 TRP A CZ3 +1487 C CH2 . TRP A 207 ? 0.8284 0.7125 0.4306 0.0045 -0.0153 -0.0059 208 TRP A CH2 +1488 N N . ILE A 208 ? 0.7911 0.7048 0.4663 -0.0016 -0.0176 0.0085 209 ILE A N +1489 C CA . ILE A 208 ? 0.7878 0.7031 0.4755 -0.0002 -0.0192 0.0113 209 ILE A CA +1490 C C . ILE A 208 ? 0.8029 0.7113 0.4760 0.0018 -0.0294 0.0123 209 ILE A C +1491 O O . ILE A 208 ? 0.7952 0.7006 0.4521 0.0035 -0.0252 0.0127 209 ILE A O +1492 C CB . ILE A 208 ? 0.7633 0.6814 0.4526 0.0002 -0.0072 0.0107 209 ILE A CB +1493 C CG1 . ILE A 208 ? 0.7710 0.6930 0.4710 -0.0008 0.0023 0.0104 209 ILE A CG1 +1494 C CG2 . ILE A 208 ? 0.7802 0.6991 0.4816 0.0021 -0.0082 0.0133 209 ILE A CG2 +1495 C CD1 . ILE A 208 ? 0.7868 0.7077 0.4797 0.0001 0.0135 0.0073 209 ILE A CD1 +1496 N N . VAL A 209 ? 0.8428 0.7470 0.5194 0.0018 -0.0431 0.0129 210 VAL A N +1497 C CA . VAL A 209 ? 0.8769 0.7710 0.5326 0.0045 -0.0547 0.0141 210 VAL A CA +1498 C C . VAL A 209 ? 0.8887 0.7840 0.5604 0.0052 -0.0613 0.0204 210 VAL A C +1499 O O . VAL A 209 ? 0.9119 0.8114 0.6128 0.0035 -0.0684 0.0220 210 VAL A O +1500 C CB . VAL A 209 ? 0.8984 0.7834 0.5445 0.0045 -0.0696 0.0098 210 VAL A CB +1501 C CG1 . VAL A 209 ? 0.9447 0.8157 0.5594 0.0082 -0.0806 0.0102 210 VAL A CG1 +1502 C CG2 . VAL A 209 ? 0.9051 0.7899 0.5435 0.0035 -0.0633 0.0038 210 VAL A CG2 +1503 N N . LEU A 210 ? 0.9098 0.8015 0.5667 0.0078 -0.0592 0.0248 211 LEU A N +1504 C CA . LEU A 210 ? 0.9171 0.8092 0.5885 0.0089 -0.0653 0.0324 211 LEU A CA +1505 C C . LEU A 210 ? 0.9754 0.8556 0.6321 0.0105 -0.0863 0.0361 211 LEU A C +1506 O O . LEU A 210 ? 0.9744 0.8425 0.5918 0.0131 -0.0891 0.0343 211 LEU A O +1507 C CB . LEU A 210 ? 0.9030 0.7953 0.5643 0.0110 -0.0536 0.0365 211 LEU A CB +1508 C CG . LEU A 210 ? 0.8804 0.7813 0.5551 0.0099 -0.0367 0.0329 211 LEU A CG +1509 C CD1 . LEU A 210 ? 0.8872 0.7880 0.5646 0.0118 -0.0304 0.0386 211 LEU A CD1 +1510 C CD2 . LEU A 210 ? 0.8696 0.7790 0.5751 0.0077 -0.0328 0.0297 211 LEU A CD2 +1511 N N . LYS A 211 ? 0.9837 0.8656 0.6693 0.0095 -0.0998 0.0414 212 LYS A N +1512 C CA . LYS A 211 ? 1.0279 0.8975 0.7057 0.0104 -0.1252 0.0457 212 LYS A CA +1513 C C . LYS A 211 ? 1.0767 0.9348 0.7168 0.0143 -0.1276 0.0527 212 LYS A C +1514 O O . LYS A 211 ? 1.1383 0.9800 0.7409 0.0167 -0.1425 0.0520 212 LYS A O +1515 C CB . LYS A 211 ? 0.9878 0.8629 0.7120 0.0086 -0.1381 0.0525 212 LYS A CB +1516 N N . GLU A 212 ? 1.1311 0.9965 0.7815 0.0152 -0.1131 0.0591 213 GLU A N +1517 C CA . GLU A 212 ? 1.2069 1.0637 0.8319 0.0189 -0.1128 0.0696 213 GLU A CA +1518 C C . GLU A 212 ? 1.1767 1.0279 0.7622 0.0218 -0.0960 0.0670 213 GLU A C +1519 O O . GLU A 212 ? 1.1472 1.0081 0.7430 0.0206 -0.0778 0.0614 213 GLU A O +1520 C CB . GLU A 212 ? 1.2564 1.1240 0.9185 0.0183 -0.1048 0.0776 213 GLU A CB +1521 C CG . GLU A 212 ? 1.3548 1.2131 1.0060 0.0212 -0.1156 0.0921 213 GLU A CG +1522 C CD . GLU A 212 ? 1.4143 1.2808 1.0908 0.0218 -0.1018 0.1002 213 GLU A CD +1523 O OE1 . GLU A 212 ? 1.4311 1.3088 1.1542 0.0196 -0.1002 0.0994 213 GLU A OE1 +1524 O OE2 . GLU A 212 ? 1.5235 1.3845 1.1748 0.0249 -0.0916 0.1072 213 GLU A OE2 +1525 N N . PRO A 213 ? 1.1621 0.9959 0.7005 0.0261 -0.1019 0.0707 214 PRO A N +1526 C CA . PRO A 213 ? 1.1760 1.0036 0.6801 0.0299 -0.0830 0.0706 214 PRO A CA +1527 C C . PRO A 213 ? 1.1774 1.0097 0.6917 0.0318 -0.0683 0.0833 214 PRO A C +1528 O O . PRO A 213 ? 1.2187 1.0555 0.7580 0.0306 -0.0765 0.0918 214 PRO A O +1529 C CB . PRO A 213 ? 1.2291 1.0338 0.6782 0.0347 -0.0948 0.0702 214 PRO A CB +1530 C CG . PRO A 213 ? 1.2334 1.0335 0.6923 0.0321 -0.1238 0.0669 214 PRO A CG +1531 C CD . PRO A 213 ? 1.1954 1.0125 0.7091 0.0278 -0.1273 0.0738 214 PRO A CD +1532 N N . ILE A 214 ? 1.1547 0.9865 0.6561 0.0344 -0.0474 0.0847 215 ILE A N +1533 C CA . ILE A 214 ? 1.1702 1.0015 0.6737 0.0375 -0.0342 0.0996 215 ILE A CA +1534 C C . ILE A 214 ? 1.2534 1.0638 0.7023 0.0442 -0.0338 0.1085 215 ILE A C +1535 O O . ILE A 214 ? 1.2551 1.0525 0.6671 0.0459 -0.0430 0.0995 215 ILE A O +1536 C CB . ILE A 214 ? 1.0971 0.9396 0.6256 0.0366 -0.0122 0.0979 215 ILE A CB +1537 C CG1 . ILE A 214 ? 1.0601 0.8997 0.5696 0.0374 -0.0019 0.0871 215 ILE A CG1 +1538 C CG2 . ILE A 214 ? 1.0692 0.9285 0.6473 0.0313 -0.0138 0.0925 215 ILE A CG2 +1539 C CD1 . ILE A 214 ? 1.0419 0.8872 0.5686 0.0383 0.0192 0.0900 215 ILE A CD1 +1540 N N . SER A 215 ? 1.3144 1.1205 0.7576 0.0480 -0.0235 0.1252 216 SER A N +1541 C CA . SER A 215 ? 1.4375 1.2226 0.8256 0.0557 -0.0156 0.1364 216 SER A CA +1542 C C . SER A 215 ? 1.4749 1.2605 0.8592 0.0593 0.0143 0.1376 216 SER A C +1543 O O . SER A 215 ? 1.4789 1.2820 0.9107 0.0556 0.0262 0.1359 216 SER A O +1544 C CB . SER A 215 ? 1.4291 1.2081 0.8137 0.0581 -0.0216 0.1568 216 SER A CB +1545 N N . VAL A 216 ? 1.5309 1.2968 0.8611 0.0665 0.0256 0.1396 217 VAL A N +1546 C CA . VAL A 216 ? 1.5280 1.2901 0.8515 0.0724 0.0576 0.1487 217 VAL A CA +1547 C C . VAL A 216 ? 1.5930 1.3284 0.8498 0.0819 0.0647 0.1619 217 VAL A C +1548 O O . VAL A 216 ? 1.5899 1.3061 0.7937 0.0845 0.0464 0.1546 217 VAL A O +1549 C CB . VAL A 216 ? 1.4358 1.2027 0.7683 0.0718 0.0718 0.1330 217 VAL A CB +1550 N N . SER A 217 ? 1.5825 1.3153 0.8412 0.0872 0.0901 0.1813 218 SER A N +1551 C CA . SER A 217 ? 1.6241 1.3306 0.8181 0.0976 0.1042 0.1970 218 SER A CA +1552 C C . SER A 217 ? 1.6789 1.3670 0.8226 0.1047 0.1215 0.1845 218 SER A C +1553 O O . SER A 217 ? 1.5945 1.2948 0.7701 0.1020 0.1324 0.1706 218 SER A O +1554 C CB . SER A 217 ? 1.6144 1.3260 0.8353 0.1009 0.1296 0.2221 218 SER A CB +1555 O OG . SER A 217 ? 1.5785 1.2952 0.8216 0.1040 0.1626 0.2226 218 SER A OG +1556 N N . SER A 218 ? 1.8367 1.4945 0.9025 0.1140 0.1239 0.1896 219 SER A N +1557 C CA . SER A 218 ? 1.8830 1.5171 0.8906 0.1235 0.1458 0.1805 219 SER A CA +1558 C C . SER A 218 ? 1.8972 1.5417 0.9427 0.1271 0.1880 0.1895 219 SER A C +1559 O O . SER A 218 ? 1.8768 1.5216 0.9276 0.1284 0.2020 0.1734 219 SER A O +1560 C CB . SER A 218 ? 1.9209 1.5191 0.8377 0.1339 0.1440 0.1896 219 SER A CB +1561 N N . GLU A 219 ? 1.9035 1.5574 0.9821 0.1280 0.2054 0.2144 220 GLU A N +1562 C CA . GLU A 219 ? 1.8617 1.5279 0.9908 0.1306 0.2439 0.2278 220 GLU A CA +1563 C C . GLU A 219 ? 1.7663 1.4591 0.9684 0.1217 0.2415 0.2108 220 GLU A C +1564 O O . GLU A 219 ? 1.7113 1.4105 0.9496 0.1244 0.2716 0.2153 220 GLU A O +1565 C CB . GLU A 219 ? 1.8292 1.5040 0.9919 0.1304 0.2515 0.2563 220 GLU A CB +1566 N N . GLN A 220 ? 1.7139 1.4205 0.9369 0.1119 0.2076 0.1927 221 GLN A N +1567 C CA . GLN A 220 ? 1.6723 1.4043 0.9633 0.1024 0.2002 0.1780 221 GLN A CA +1568 C C . GLN A 220 ? 1.7206 1.4464 0.9895 0.1025 0.1965 0.1543 221 GLN A C +1569 O O . GLN A 220 ? 1.6360 1.3743 0.9484 0.1000 0.2084 0.1468 221 GLN A O +1570 C CB . GLN A 220 ? 1.6141 1.3644 0.9430 0.0924 0.1689 0.1753 221 GLN A CB +1571 C CG . GLN A 220 ? 1.5728 1.3371 0.9537 0.0901 0.1756 0.1950 221 GLN A CG +1572 C CD . GLN A 220 ? 1.5075 1.2892 0.9292 0.0808 0.1477 0.1902 221 GLN A CD +1573 O OE1 . GLN A 220 ? 1.4528 1.2314 0.8508 0.0779 0.1220 0.1815 221 GLN A OE1 +1574 N NE2 . GLN A 220 ? 1.4420 1.2414 0.9282 0.0764 0.1529 0.1960 221 GLN A NE2 +1575 N N . VAL A 221 ? 1.8287 1.5352 1.0350 0.1053 0.1789 0.1431 222 VAL A N +1576 C CA . VAL A 221 ? 1.8664 1.5645 1.0489 0.1055 0.1718 0.1197 222 VAL A CA +1577 C C . VAL A 221 ? 1.9603 1.6408 1.1141 0.1160 0.2070 0.1197 222 VAL A C +1578 O O . VAL A 221 ? 1.9443 1.6293 1.1183 0.1148 0.2133 0.1049 222 VAL A O +1579 C CB . VAL A 221 ? 1.8748 1.5569 1.0050 0.1048 0.1390 0.1080 222 VAL A CB +1580 C CG1 . VAL A 221 ? 1.9531 1.6003 0.9986 0.1164 0.1467 0.1102 222 VAL A CG1 +1581 C CG2 . VAL A 221 ? 1.8522 1.5415 0.9982 0.0984 0.1186 0.0844 222 VAL A CG2 +1582 N N . LEU A 222 ? 2.0718 1.7332 1.1838 0.1261 0.2309 0.1370 223 LEU A N +1583 C CA . LEU A 222 ? 2.1439 1.7867 1.2279 0.1378 0.2706 0.1401 223 LEU A CA +1584 C C . LEU A 222 ? 2.1045 1.7699 1.2676 0.1354 0.2974 0.1473 223 LEU A C +1585 O O . LEU A 222 ? 2.1490 1.8081 1.3145 0.1404 0.3197 0.1382 223 LEU A O +1586 C CB . LEU A 222 ? 2.1705 1.7880 1.1915 0.1490 0.2897 0.1604 223 LEU A CB +1587 N N . LYS A 223 ? 2.0263 1.7158 1.2540 0.1283 0.2943 0.1622 224 LYS A N +1588 C CA . LYS A 223 ? 1.9331 1.6436 1.2415 0.1254 0.3150 0.1702 224 LYS A CA +1589 C C . LYS A 223 ? 1.8543 1.5815 1.2056 0.1166 0.2973 0.1488 224 LYS A C +1590 O O . LYS A 223 ? 1.7680 1.5069 1.1765 0.1156 0.3147 0.1510 224 LYS A O +1591 C CB . LYS A 223 ? 1.8828 1.6113 1.2447 0.1204 0.3126 0.1906 224 LYS A CB +1592 C CG . LYS A 223 ? 1.8776 1.5940 1.2238 0.1298 0.3426 0.2177 224 LYS A CG +1593 N N . PHE A 224 ? 1.8398 1.5671 1.1660 0.1107 0.2643 0.1304 225 PHE A N +1594 C CA . PHE A 224 ? 1.7920 1.5328 1.1489 0.1023 0.2443 0.1101 225 PHE A CA +1595 C C . PHE A 224 ? 1.8047 1.5305 1.1365 0.1084 0.2587 0.0955 225 PHE A C +1596 O O . PHE A 224 ? 1.7768 1.5138 1.1411 0.1022 0.2472 0.0812 225 PHE A O +1597 C CB . PHE A 224 ? 1.7538 1.4992 1.0944 0.0946 0.2064 0.0986 225 PHE A CB +1598 N N . ARG A 225 ? 1.8403 1.5405 1.1154 0.1202 0.2828 0.0987 226 ARG A N +1599 C CA . ARG A 225 ? 1.8276 1.5089 1.0728 0.1281 0.3007 0.0843 226 ARG A CA +1600 C C . ARG A 225 ? 1.8325 1.5091 1.0993 0.1373 0.3456 0.0985 226 ARG A C +1601 O O . ARG A 225 ? 1.6985 1.3790 1.0010 0.1379 0.3594 0.0904 226 ARG A O +1602 C CB . ARG A 225 ? 1.8560 1.5074 1.0119 0.1351 0.2902 0.0727 226 ARG A CB +1603 C CG . ARG A 225 ? 1.8394 1.4957 0.9817 0.1261 0.2458 0.0605 226 ARG A CG +1604 C CD . ARG A 225 ? 1.9293 1.5540 0.9870 0.1329 0.2320 0.0481 226 ARG A CD +1605 N NE . ARG A 225 ? 1.9511 1.5807 1.0034 0.1242 0.1891 0.0374 226 ARG A NE +1606 C CZ . ARG A 225 ? 1.9700 1.5939 0.9921 0.1228 0.1663 0.0449 226 ARG A CZ +1607 N NH1 . ARG A 225 ? 1.9751 1.5880 0.9658 0.1294 0.1812 0.0641 226 ARG A NH1 +1608 N NH2 . ARG A 225 ? 1.9487 1.5783 0.9761 0.1148 0.1287 0.0343 226 ARG A NH2 +1609 N N . LYS A 226 ? 1.9463 1.6155 1.1975 0.1440 0.3677 0.1202 227 LYS A N +1610 C CA . LYS A 226 ? 1.9593 1.6237 1.2337 0.1536 0.4141 0.1385 227 LYS A CA +1611 C C . LYS A 226 ? 1.9072 1.6016 1.2839 0.1453 0.4176 0.1476 227 LYS A C +1612 O O . LYS A 226 ? 1.8306 1.5383 1.2479 0.1379 0.4014 0.1306 227 LYS A O +1613 C CB . LYS A 226 ? 1.9401 1.5907 1.1739 0.1616 0.4323 0.1619 227 LYS A CB +1614 N N . MET A 239 ? 2.0442 1.7174 1.3396 0.1263 0.2973 0.0113 240 MET A N +1615 C CA . MET A 239 ? 1.9995 1.6949 1.3306 0.1128 0.2597 0.0046 240 MET A CA +1616 C C . MET A 239 ? 1.9780 1.6666 1.2590 0.1099 0.2296 0.0000 240 MET A C +1617 O O . MET A 239 ? 1.9828 1.6845 1.2747 0.1049 0.2188 0.0130 240 MET A O +1618 C CB . MET A 239 ? 1.9699 1.6942 1.3714 0.1040 0.2572 0.0204 240 MET A CB +1619 C CG . MET A 239 ? 1.9474 1.6927 1.3829 0.0912 0.2225 0.0142 240 MET A CG +1620 S SD . MET A 239 ? 1.8890 1.6637 1.4035 0.0815 0.2183 0.0292 240 MET A SD +1621 C CE . MET A 239 ? 1.8662 1.6431 1.4323 0.0838 0.2393 0.0278 240 MET A CE +1622 N N . VAL A 240 ? 1.9503 1.6188 1.1829 0.1129 0.2152 -0.0181 241 VAL A N +1623 C CA . VAL A 240 ? 1.9289 1.5864 1.1119 0.1112 0.1848 -0.0238 241 VAL A CA +1624 C C . VAL A 240 ? 1.8573 1.5180 1.0516 0.1041 0.1543 -0.0422 241 VAL A C +1625 O O . VAL A 240 ? 1.8158 1.4827 1.0453 0.1024 0.1600 -0.0509 241 VAL A O +1626 C CB . VAL A 240 ? 1.9780 1.6008 1.0789 0.1236 0.1958 -0.0262 241 VAL A CB +1627 N N . ASP A 241 ? 1.8521 1.5098 1.0227 0.1000 0.1230 -0.0460 242 ASP A N +1628 C CA . ASP A 241 ? 1.8191 1.4783 0.9981 0.0932 0.0902 -0.0612 242 ASP A CA +1629 C C . ASP A 241 ? 1.7352 1.4226 0.9852 0.0833 0.0859 -0.0614 242 ASP A C +1630 O O . ASP A 241 ? 1.7363 1.4221 0.9979 0.0800 0.0696 -0.0754 242 ASP A O +1631 C CB . ASP A 241 ? 1.8330 1.4595 0.9574 0.1014 0.0862 -0.0810 242 ASP A CB +1632 N N . ASN A 242 ? 1.6500 1.3617 0.9457 0.0782 0.0962 -0.0462 243 ASN A N +1633 C CA . ASN A 242 ? 1.5529 1.2887 0.9114 0.0701 0.0956 -0.0443 243 ASN A CA +1634 C C . ASN A 242 ? 1.4949 1.2489 0.8795 0.0599 0.0683 -0.0429 243 ASN A C +1635 O O . ASN A 242 ? 1.3885 1.1628 0.8093 0.0540 0.0686 -0.0319 243 ASN A O +1636 C CB . ASN A 242 ? 1.5267 1.2756 0.9200 0.0706 0.1199 -0.0302 243 ASN A CB +1637 C CG . ASN A 242 ? 1.5267 1.2883 0.9291 0.0676 0.1185 -0.0146 243 ASN A CG +1638 O OD1 . ASN A 242 ? 1.5586 1.3159 0.9325 0.0672 0.1045 -0.0127 243 ASN A OD1 +1639 N ND2 . ASN A 242 ? 1.5061 1.2824 0.9508 0.0655 0.1322 -0.0033 243 ASN A ND2 +1640 N N . TRP A 243 ? 1.5412 1.2868 0.9100 0.0582 0.0460 -0.0543 244 TRP A N +1641 C CA . TRP A 243 ? 1.5167 1.2760 0.9087 0.0497 0.0204 -0.0542 244 TRP A CA +1642 C C . TRP A 243 ? 1.4938 1.2484 0.8975 0.0475 0.0071 -0.0680 244 TRP A C +1643 O O . TRP A 243 ? 1.5491 1.2961 0.9547 0.0512 0.0203 -0.0751 244 TRP A O +1644 C CB . TRP A 243 ? 1.5864 1.3385 0.9484 0.0504 0.0045 -0.0508 244 TRP A CB +1645 C CG . TRP A 243 ? 1.7127 1.4362 1.0166 0.0589 0.0021 -0.0588 244 TRP A CG +1646 C CD1 . TRP A 243 ? 1.7416 1.4493 1.0063 0.0677 0.0230 -0.0554 244 TRP A CD1 +1647 C CD2 . TRP A 243 ? 1.8241 1.5291 1.1004 0.0600 -0.0231 -0.0713 244 TRP A CD2 +1648 N NE1 . TRP A 243 ? 1.8403 1.5195 1.0485 0.0745 0.0131 -0.0654 244 TRP A NE1 +1649 C CE2 . TRP A 243 ? 1.8694 1.5459 1.0838 0.0698 -0.0170 -0.0761 244 TRP A CE2 +1650 C CE3 . TRP A 243 ? 1.8595 1.5680 1.1582 0.0538 -0.0504 -0.0786 244 TRP A CE3 +1651 C CZ2 . TRP A 243 ? 1.9196 1.5698 1.0908 0.0734 -0.0402 -0.0894 244 TRP A CZ2 +1652 C CZ3 . TRP A 243 ? 1.8855 1.5700 1.1493 0.0570 -0.0734 -0.0910 244 TRP A CZ3 +1653 C CH2 . TRP A 243 ? 1.8932 1.5481 1.0921 0.0666 -0.0698 -0.0971 244 TRP A CH2 +1654 N N . ARG A 244 ? 1.4013 1.1596 0.8162 0.0421 -0.0171 -0.0711 245 ARG A N +1655 C CA . ARG A 244 ? 1.3538 1.1129 0.7943 0.0382 -0.0308 -0.0808 245 ARG A CA +1656 C C . ARG A 244 ? 1.3191 1.0715 0.7539 0.0359 -0.0583 -0.0857 245 ARG A C +1657 O O . ARG A 244 ? 1.2381 0.9987 0.6756 0.0330 -0.0667 -0.0768 245 ARG A O +1658 C CB . ARG A 244 ? 1.3200 1.1037 0.8110 0.0308 -0.0259 -0.0715 245 ARG A CB +1659 C CG . ARG A 244 ? 1.2871 1.0736 0.8096 0.0268 -0.0350 -0.0777 245 ARG A CG +1660 C CD . ARG A 244 ? 1.2158 1.0249 0.7804 0.0188 -0.0379 -0.0664 245 ARG A CD +1661 N NE . ARG A 244 ? 1.2073 1.0189 0.8030 0.0151 -0.0459 -0.0699 245 ARG A NE +1662 C CZ . ARG A 244 ? 1.1446 0.9729 0.7757 0.0086 -0.0487 -0.0603 245 ARG A CZ +1663 N NH1 . ARG A 244 ? 1.1069 0.9496 0.7442 0.0052 -0.0444 -0.0485 245 ARG A NH1 +1664 N NH2 . ARG A 244 ? 1.1023 0.9313 0.7612 0.0058 -0.0552 -0.0623 245 ARG A NH2 +1665 N N . PRO A 245 ? 1.3754 1.1123 0.8060 0.0369 -0.0742 -0.0999 246 PRO A N +1666 C CA . PRO A 245 ? 1.3984 1.1279 0.8288 0.0346 -0.1031 -0.1044 246 PRO A CA +1667 C C . PRO A 245 ? 1.3410 1.0946 0.8239 0.0257 -0.1130 -0.0932 246 PRO A C +1668 O O . PRO A 245 ? 1.3236 1.0932 0.8450 0.0212 -0.1052 -0.0890 246 PRO A O +1669 C CB . PRO A 245 ? 1.4084 1.1173 0.8328 0.0371 -0.1167 -0.1228 246 PRO A CB +1670 C CG . PRO A 245 ? 1.4110 1.1234 0.8483 0.0389 -0.0936 -0.1259 246 PRO A CG +1671 C CD . PRO A 245 ? 1.4169 1.1409 0.8448 0.0408 -0.0667 -0.1131 246 PRO A CD +1672 N N . ALA A 246 ? 1.3359 1.0906 0.8184 0.0238 -0.1294 -0.0878 247 ALA A N +1673 C CA . ALA A 246 ? 1.2943 1.0626 0.8236 0.0169 -0.1464 -0.0819 247 ALA A CA +1674 C C . ALA A 246 ? 1.2462 1.0205 0.8156 0.0131 -0.1482 -0.0860 247 ALA A C +1675 O O . ALA A 246 ? 1.2667 1.0233 0.8262 0.0157 -0.1582 -0.1001 247 ALA A O +1676 C CB . ALA A 246 ? 1.3608 1.1128 0.8769 0.0180 -0.1749 -0.0868 247 ALA A CB +1677 N N . GLN A 247 ? 1.1682 0.9654 0.7801 0.0074 -0.1385 -0.0738 248 GLN A N +1678 C CA . GLN A 247 ? 1.1258 0.9319 0.7780 0.0033 -0.1361 -0.0729 248 GLN A CA +1679 C C . GLN A 247 ? 1.1262 0.9391 0.8226 -0.0015 -0.1534 -0.0679 248 GLN A C +1680 O O . GLN A 247 ? 1.1047 0.9208 0.8059 -0.0025 -0.1616 -0.0621 248 GLN A O +1681 C CB . GLN A 247 ? 1.0847 0.9095 0.7486 0.0010 -0.1125 -0.0614 248 GLN A CB +1682 C CG . GLN A 247 ? 1.0657 0.8844 0.6975 0.0056 -0.0958 -0.0658 248 GLN A CG +1683 C CD . GLN A 247 ? 1.0580 0.8615 0.6862 0.0084 -0.0993 -0.0790 248 GLN A CD +1684 O OE1 . GLN A 247 ? 1.0632 0.8678 0.7235 0.0052 -0.1092 -0.0809 248 GLN A OE1 +1685 N NE2 . GLN A 247 ? 1.0677 0.8564 0.6588 0.0147 -0.0902 -0.0878 248 GLN A NE2 +1686 N N . PRO A 248 ? 1.1664 0.9815 0.9008 -0.0047 -0.1588 -0.0688 249 PRO A N +1687 C CA . PRO A 248 ? 1.1966 1.0192 0.9813 -0.0094 -0.1730 -0.0619 249 PRO A CA +1688 C C . PRO A 248 ? 1.2083 1.0529 1.0168 -0.0128 -0.1573 -0.0439 249 PRO A C +1689 O O . PRO A 248 ? 1.2215 1.0781 1.0266 -0.0136 -0.1358 -0.0358 249 PRO A O +1690 C CB . PRO A 248 ? 1.1827 1.0052 1.0026 -0.0117 -0.1754 -0.0642 249 PRO A CB +1691 C CG . PRO A 248 ? 1.1934 1.0026 0.9754 -0.0073 -0.1681 -0.0773 249 PRO A CG +1692 C CD . PRO A 248 ? 1.1629 0.9742 0.8989 -0.0038 -0.1507 -0.0750 249 PRO A CD +1693 N N . LEU A 249 ? 1.2168 1.0648 1.0490 -0.0144 -0.1686 -0.0382 250 LEU A N +1694 C CA . LEU A 249 ? 1.1832 1.0498 1.0397 -0.0168 -0.1534 -0.0223 250 LEU A CA +1695 C C . LEU A 249 ? 1.1318 1.0124 1.0365 -0.0207 -0.1420 -0.0102 250 LEU A C +1696 O O . LEU A 249 ? 1.0910 0.9857 1.0041 -0.0216 -0.1219 0.0022 250 LEU A O +1697 C CB . LEU A 249 ? 1.2301 1.0941 1.1026 -0.0169 -0.1708 -0.0207 250 LEU A CB +1698 C CG . LEU A 249 ? 1.2294 1.1100 1.1257 -0.0182 -0.1556 -0.0063 250 LEU A CG +1699 C CD1 . LEU A 249 ? 1.2275 1.1151 1.0854 -0.0162 -0.1315 -0.0035 250 LEU A CD1 +1700 C CD2 . LEU A 249 ? 1.2601 1.1359 1.1697 -0.0178 -0.1752 -0.0057 250 LEU A CD2 +1701 N N . LYS A 250 ? 1.1431 1.0184 1.0774 -0.0225 -0.1544 -0.0137 251 LYS A N +1702 C CA . LYS A 250 ? 1.1426 1.0295 1.1259 -0.0261 -0.1448 -0.0009 251 LYS A CA +1703 C C . LYS A 250 ? 1.1746 1.0758 1.1968 -0.0279 -0.1346 0.0153 251 LYS A C +1704 O O . LYS A 250 ? 1.1861 1.0843 1.2282 -0.0279 -0.1505 0.0138 251 LYS A O +1705 C CB . LYS A 250 ? 1.1397 1.0321 1.1025 -0.0261 -0.1242 0.0031 251 LYS A CB +1706 C CG . LYS A 250 ? 1.1499 1.0291 1.0765 -0.0237 -0.1299 -0.0120 251 LYS A CG +1707 C CD . LYS A 250 ? 1.1617 1.0347 1.1169 -0.0252 -0.1395 -0.0163 251 LYS A CD +1708 C CE . LYS A 250 ? 1.1789 1.0429 1.1012 -0.0226 -0.1353 -0.0272 251 LYS A CE +1709 N NZ . LYS A 250 ? 1.1689 1.0308 1.1251 -0.0245 -0.1390 -0.0272 251 LYS A NZ +1710 N N . ASN A 251 ? 1.1840 1.0988 1.2165 -0.0289 -0.1092 0.0304 252 ASN A N +1711 C CA . ASN A 251 ? 1.1851 1.1125 1.2597 -0.0299 -0.0947 0.0472 252 ASN A CA +1712 C C . ASN A 251 ? 1.1607 1.0913 1.2102 -0.0274 -0.0859 0.0471 252 ASN A C +1713 O O . ASN A 251 ? 1.2162 1.1543 1.3027 -0.0275 -0.0796 0.0570 252 ASN A O +1714 C CB . ASN A 251 ? 1.1489 1.0860 1.2392 -0.0311 -0.0709 0.0634 252 ASN A CB +1715 N N . ARG A 252 ? 1.1070 1.0318 1.1011 -0.0252 -0.0862 0.0365 253 ARG A N +1716 C CA . ARG A 252 ? 1.0706 0.9995 1.0356 -0.0228 -0.0723 0.0377 253 ARG A CA +1717 C C . ARG A 252 ? 1.0563 0.9843 1.0401 -0.0220 -0.0847 0.0367 253 ARG A C +1718 O O . ARG A 252 ? 1.0524 0.9702 1.0361 -0.0221 -0.1098 0.0275 253 ARG A O +1719 C CB . ARG A 252 ? 1.0314 0.9535 0.9389 -0.0208 -0.0719 0.0270 253 ARG A CB +1720 C CG . ARG A 252 ? 0.9837 0.9069 0.8718 -0.0214 -0.0596 0.0287 253 ARG A CG +1721 C CD . ARG A 252 ? 0.9413 0.8568 0.7826 -0.0193 -0.0623 0.0176 253 ARG A CD +1722 N NE . ARG A 252 ? 0.9051 0.8086 0.7381 -0.0184 -0.0815 0.0053 253 ARG A NE +1723 C CZ . ARG A 252 ? 0.8825 0.7771 0.6772 -0.0157 -0.0837 -0.0045 253 ARG A CZ +1724 N NH1 . ARG A 252 ? 0.8737 0.7715 0.6409 -0.0144 -0.0696 -0.0030 253 ARG A NH1 +1725 N NH2 . ARG A 252 ? 0.9258 0.8070 0.7099 -0.0140 -0.0995 -0.0162 253 ARG A NH2 +1726 N N . GLN A 253 ? 1.0804 1.0172 1.0759 -0.0208 -0.0672 0.0454 254 GLN A N +1727 C CA . GLN A 253 ? 1.0749 1.0121 1.0822 -0.0194 -0.0737 0.0455 254 GLN A CA +1728 C C . GLN A 253 ? 1.0361 0.9693 0.9899 -0.0169 -0.0708 0.0378 254 GLN A C +1729 O O . GLN A 253 ? 0.9816 0.9175 0.9033 -0.0157 -0.0514 0.0379 254 GLN A O +1730 C CB . GLN A 253 ? 1.0991 1.0475 1.1474 -0.0187 -0.0521 0.0586 254 GLN A CB +1731 C CG . GLN A 253 ? 1.1313 1.0855 1.2385 -0.0207 -0.0488 0.0699 254 GLN A CG +1732 C CD . GLN A 253 ? 1.1519 1.1038 1.3117 -0.0226 -0.0750 0.0705 254 GLN A CD +1733 O OE1 . GLN A 253 ? 1.1929 1.1433 1.3606 -0.0217 -0.0862 0.0686 254 GLN A OE1 +1734 N NE2 . GLN A 253 ? 1.1933 1.1445 1.3928 -0.0254 -0.0863 0.0738 254 GLN A NE2 +1735 N N . ILE A 254 ? 1.0041 0.9302 0.9501 -0.0160 -0.0904 0.0323 255 ILE A N +1736 C CA . ILE A 254 ? 0.9959 0.9196 0.9048 -0.0134 -0.0871 0.0287 255 ILE A CA +1737 C C . ILE A 254 ? 0.9886 0.9198 0.9310 -0.0125 -0.0801 0.0365 255 ILE A C +1738 O O . ILE A 254 ? 1.0595 0.9898 1.0412 -0.0135 -0.0971 0.0400 255 ILE A O +1739 C CB . ILE A 254 ? 0.9983 0.9080 0.8758 -0.0123 -0.1116 0.0196 255 ILE A CB +1740 C CG1 . ILE A 254 ? 1.0051 0.9070 0.8559 -0.0127 -0.1158 0.0113 255 ILE A CG1 +1741 C CG2 . ILE A 254 ? 1.0028 0.9103 0.8458 -0.0096 -0.1073 0.0184 255 ILE A CG2 +1742 C CD1 . ILE A 254 ? 1.0436 0.9298 0.8468 -0.0099 -0.1306 0.0011 255 ILE A CD1 +1743 N N . LYS A 255 ? 0.9541 0.8913 0.8837 -0.0106 -0.0570 0.0388 256 LYS A N +1744 C CA . LYS A 255 ? 0.9438 0.8875 0.9030 -0.0089 -0.0458 0.0449 256 LYS A CA +1745 C C . LYS A 255 ? 0.9201 0.8587 0.8548 -0.0071 -0.0557 0.0410 256 LYS A C +1746 O O . LYS A 255 ? 0.9512 0.8829 0.8410 -0.0067 -0.0621 0.0344 256 LYS A O +1747 C CB . LYS A 255 ? 0.9685 0.9184 0.9234 -0.0070 -0.0149 0.0479 256 LYS A CB +1748 C CG . LYS A 255 ? 1.0303 0.9841 1.0018 -0.0082 -0.0017 0.0538 256 LYS A CG +1749 C CD . LYS A 255 ? 1.1025 1.0574 1.0476 -0.0059 0.0262 0.0549 256 LYS A CD +1750 C CE . LYS A 255 ? 1.1492 1.1090 1.1253 -0.0054 0.0466 0.0657 256 LYS A CE +1751 N NZ . LYS A 255 ? 1.1756 1.1349 1.1385 -0.0012 0.0757 0.0677 256 LYS A NZ +1752 N N . ALA A 256 ? 0.8857 0.8276 0.8512 -0.0059 -0.0561 0.0459 257 ALA A N +1753 C CA . ALA A 256 ? 0.8961 0.8332 0.8436 -0.0044 -0.0668 0.0445 257 ALA A CA +1754 C C . ALA A 256 ? 0.8628 0.8066 0.8326 -0.0020 -0.0478 0.0480 257 ALA A C +1755 O O . ALA A 256 ? 0.8298 0.7802 0.8468 -0.0017 -0.0379 0.0538 257 ALA A O +1756 C CB . ALA A 256 ? 0.9122 0.8423 0.8757 -0.0056 -0.0976 0.0469 257 ALA A CB +1757 N N . SER A 257 ? 0.8605 0.8018 0.7999 -0.0001 -0.0425 0.0446 258 SER A N +1758 C CA . SER A 257 ? 0.8675 0.8129 0.8219 0.0026 -0.0236 0.0452 258 SER A CA +1759 C C . SER A 257 ? 0.8992 0.8459 0.8950 0.0032 -0.0360 0.0521 258 SER A C +1760 O O . SER A 257 ? 0.8945 0.8445 0.9114 0.0057 -0.0210 0.0527 258 SER A O +1761 C CB . SER A 257 ? 0.8623 0.8041 0.7735 0.0040 -0.0155 0.0389 258 SER A CB +1762 O OG . SER A 257 ? 0.8847 0.8210 0.7775 0.0039 -0.0341 0.0404 258 SER A OG +1763 N N . PHE A 258 ? 0.9581 0.9008 0.9658 0.0012 -0.0633 0.0567 259 PHE A N +1764 C CA . PHE A 258 ? 0.9831 0.9247 1.0238 0.0016 -0.0805 0.0643 259 PHE A CA +1765 C C . PHE A 258 ? 1.0470 0.9892 1.1386 -0.0005 -0.1008 0.0713 259 PHE A C +1766 O O . PHE A 258 ? 1.0272 0.9642 1.1092 -0.0029 -0.1185 0.0695 259 PHE A O +1767 C CB . PHE A 258 ? 1.0096 0.9416 1.0054 0.0022 -0.0976 0.0641 259 PHE A CB +1768 C CG . PHE A 258 ? 1.0413 0.9630 0.9989 0.0007 -0.1195 0.0614 259 PHE A CG +1769 C CD1 . PHE A 258 ? 1.0663 0.9804 1.0399 -0.0007 -0.1495 0.0661 259 PHE A CD1 +1770 C CD2 . PHE A 258 ? 1.0625 0.9805 0.9694 0.0009 -0.1109 0.0537 259 PHE A CD2 +1771 C CE1 . PHE A 258 ? 1.0918 0.9933 1.0261 -0.0013 -0.1700 0.0615 259 PHE A CE1 +1772 C CE2 . PHE A 258 ? 1.1077 1.0146 0.9797 0.0004 -0.1293 0.0501 259 PHE A CE2 +1773 C CZ . PHE A 258 ? 1.1139 1.0117 0.9968 -0.0005 -0.1584 0.0532 259 PHE A CZ +1774 N N . LYS A 259 ? 1.1027 1.0505 1.2511 0.0004 -0.0987 0.0788 260 LYS A N +1775 C CA . LYS A 259 ? 1.1347 1.0858 1.3526 -0.0011 -0.1136 0.0879 260 LYS A CA +1776 C C . LYS A 259 ? 1.1593 1.1027 1.3874 -0.0020 -0.1473 0.0949 260 LYS A C +1777 O O . LYS A 259 ? 1.1977 1.1326 1.3725 -0.0012 -0.1576 0.0926 260 LYS A O +1778 C CB . LYS A 259 ? 1.1200 1.0824 1.3957 0.0013 -0.0832 0.0920 260 LYS A CB +1779 O OAA . 4SO B 1 ? 0.7732 0.6596 0.3878 0.0056 0.0081 -0.0005 301 4SO B OAA +1780 O OAB . 4SO B 1 ? 0.8853 0.7774 0.5920 -0.0045 0.0042 0.0117 301 4SO B OAB +1781 C CAC . 4SO B 1 ? 0.8552 0.7387 0.5226 0.0033 0.0174 -0.0003 301 4SO B CAC +1782 C CAD . 4SO B 1 ? 0.8580 0.7390 0.5032 0.0051 0.0158 -0.0040 301 4SO B CAD +1783 C CAE . 4SO B 1 ? 0.8242 0.7089 0.4608 0.0043 0.0130 -0.0018 301 4SO B CAE +1784 S SAF . 4SO B 1 ? 0.7972 0.6787 0.4125 0.0063 0.0088 -0.0046 301 4SO B SAF +1785 N NAG . 4SO B 1 ? 0.8562 0.7258 0.4523 0.0125 0.0168 -0.0078 301 4SO B NAG +1786 C CAH . 4SO B 1 ? 0.8670 0.7568 0.5686 -0.0017 0.0113 0.0088 301 4SO B CAH +1787 C CAI . 4SO B 1 ? 0.8553 0.7438 0.5337 0.0005 0.0141 0.0047 301 4SO B CAI +1788 C CAJ . 4SO B 1 ? 0.8627 0.7537 0.5294 0.0000 0.0118 0.0053 301 4SO B CAJ +1789 C CAK . 4SO B 1 ? 0.8512 0.7410 0.4988 0.0020 0.0123 0.0026 301 4SO B CAK +1790 O OAL . 4SO B 1 ? 0.7590 0.6402 0.3737 0.0043 -0.0007 -0.0089 301 4SO B OAL +1791 O O . A1IJ4 B 2 ? 0.8632 0.7465 0.7928 -0.0066 0.0031 0.0350 302 A1IJ4 B O +1792 C C . A1IJ4 B 2 ? 0.8386 0.7229 0.7897 -0.0117 -0.0150 0.0424 302 A1IJ4 B C +1793 C C118 . A1IJ4 B 2 ? 0.8105 0.6958 0.7201 -0.0154 -0.0309 0.0426 302 A1IJ4 B C118 +1794 C C119 . A1IJ4 B 2 ? 0.8055 0.6882 0.7059 -0.0207 -0.0544 0.0464 302 A1IJ4 B C119 +1795 C C120 . A1IJ4 B 2 ? 0.8008 0.6835 0.6706 -0.0198 -0.0521 0.0413 302 A1IJ4 B C120 +1796 C C121 . A1IJ4 B 2 ? 0.8112 0.6947 0.6346 -0.0203 -0.0513 0.0364 302 A1IJ4 B C121 +1797 C C122 . A1IJ4 B 2 ? 0.7862 0.6749 0.5718 -0.0146 -0.0254 0.0267 302 A1IJ4 B C122 +1798 C C123 . A1IJ4 B 2 ? 0.7843 0.6735 0.5480 -0.0172 -0.0324 0.0267 302 A1IJ4 B C123 +1799 N N31 . A1IJ4 B 2 ? 0.8210 0.7055 0.7632 -0.0162 -0.0330 0.0467 302 A1IJ4 B N31 +1800 O O71 . A1IJ4 B 2 ? 0.7981 0.6850 0.6145 -0.0158 -0.0319 0.0316 302 A1IJ4 B O71 +1801 C C124 . A1IJ4 B 2 ? 0.7973 0.6866 0.5770 -0.0099 -0.0093 0.0223 302 A1IJ4 B C124 +1802 C C125 . A1IJ4 B 2 ? 0.8067 0.6980 0.5483 -0.0152 -0.0236 0.0215 302 A1IJ4 B C125 +1803 C C126 . A1IJ4 B 2 ? 0.8102 0.7015 0.5463 -0.0107 -0.0105 0.0161 302 A1IJ4 B C126 +1804 C C127 . A1IJ4 B 2 ? 0.8049 0.6947 0.5578 -0.0078 -0.0026 0.0169 302 A1IJ4 B C127 +1805 C C128 . A1IJ4 B 2 ? 0.8285 0.7163 0.5767 -0.0026 0.0117 0.0140 302 A1IJ4 B C128 +1806 N N . A1IJ4 B 2 ? 0.8569 0.7440 0.5751 -0.0005 0.0154 0.0088 302 A1IJ4 B N +1807 C C2 . QUJ B 3 ? 0.7986 0.6798 0.8023 -0.0087 -0.0037 0.0425 303 QUJ B C2 +1808 C C3 . QUJ B 3 ? 0.7908 0.6684 0.7814 -0.0013 0.0212 0.0330 303 QUJ B C3 +1809 C C4 . QUJ B 3 ? 0.7866 0.6595 0.8017 0.0030 0.0352 0.0289 303 QUJ B C4 +1810 C C5 . QUJ B 3 ? 0.7702 0.6440 0.8279 0.0000 0.0248 0.0349 303 QUJ B C5 +1811 C C6 . QUJ B 3 ? 0.7756 0.6538 0.8467 -0.0077 -0.0010 0.0459 303 QUJ B C6 +1812 C C8 . QUJ B 3 ? 0.8228 0.7012 0.9356 -0.0112 -0.0139 0.0539 303 QUJ B C8 +1813 C C9 . QUJ B 3 ? 0.8042 0.6845 0.9241 -0.0186 -0.0417 0.0660 303 QUJ B C9 +1814 C CA . QUJ B 3 ? 0.7686 0.6498 0.8517 -0.0219 -0.0544 0.0678 303 QUJ B CA +1815 O O . QUJ B 3 ? 0.7416 0.6196 0.8572 -0.0317 -0.0969 0.0882 303 QUJ B O +1816 C C . QUJ B 3 ? 0.7458 0.6255 0.8261 -0.0284 -0.0818 0.0783 303 QUJ B C +1817 N N11 . QUJ B 3 ? 0.7310 0.6131 0.7779 -0.0184 -0.0403 0.0590 303 QUJ B N11 +1818 C C7 . QUJ B 3 ? 0.7659 0.6469 0.8078 -0.0118 -0.0152 0.0494 303 QUJ B C7 +1819 N N . QUJ B 3 ? 0.8232 0.7066 0.8056 -0.0131 -0.0200 0.0463 303 QUJ B N +1820 O OB . QUJ B 3 ? 0.9112 0.7861 1.0569 -0.0066 0.0013 0.0496 303 QUJ B OB +1821 C CG . QUJ B 3 ? 0.9514 0.8256 1.1067 -0.0095 -0.0092 0.0508 303 QUJ B CG +1822 C CD . QUJ B 3 ? 0.9472 0.8183 1.1623 -0.0059 0.0020 0.0516 303 QUJ B CD +1823 C CE2 . QUJ B 3 ? 0.9543 0.8188 1.1625 0.0039 0.0349 0.0374 303 QUJ B CE2 +1824 C CE1 . QUJ B 3 ? 0.9601 0.8301 1.1911 -0.0087 -0.0086 0.0531 303 QUJ B CE1 +1825 O O . ZY9 B 4 ? 0.7677 0.6490 0.5999 -0.0276 -0.0730 0.0500 304 ZY9 B O +1826 C C . ZY9 B 4 ? 0.7609 0.6424 0.6274 -0.0280 -0.0743 0.0543 304 ZY9 B C +1827 C CA . ZY9 B 4 ? 0.7513 0.6283 0.6404 -0.0319 -0.0938 0.0638 304 ZY9 B CA +1828 N N11 . ZY9 B 4 ? 0.7273 0.6049 0.6631 -0.0320 -0.0948 0.0689 304 ZY9 B N11 +1829 C C9 . ZY9 B 4 ? 0.7542 0.6246 0.6182 -0.0352 -0.1128 0.0676 304 ZY9 B C9 +1830 C C8 . ZY9 B 4 ? 0.7578 0.6217 0.6414 -0.0390 -0.1350 0.0770 304 ZY9 B C8 +1831 C C6 . ZY9 B 4 ? 0.7513 0.6171 0.6848 -0.0396 -0.1373 0.0835 304 ZY9 B C6 +1832 C C7 . ZY9 B 4 ? 0.7335 0.6066 0.6944 -0.0359 -0.1156 0.0791 304 ZY9 B C7 +1833 C C2 . ZY9 B 4 ? 0.7345 0.6082 0.7480 -0.0363 -0.1177 0.0855 304 ZY9 B C2 +1834 N N . ZY9 B 4 ? 0.7350 0.6137 0.7690 -0.0305 -0.0906 0.0768 304 ZY9 B N +1835 O OB . QVS B 5 ? 0.8336 0.7087 0.6971 -0.0023 0.0133 0.0100 305 QVS B OB +1836 C C8 . QVS B 5 ? 0.7936 0.6734 0.6820 -0.0078 -0.0011 0.0208 305 QVS B C8 +1837 C C9 . QVS B 5 ? 0.7785 0.6575 0.7048 -0.0094 -0.0061 0.0256 305 QVS B C9 +1838 C CA . QVS B 5 ? 0.7781 0.6602 0.7233 -0.0152 -0.0240 0.0376 305 QVS B CA +1839 C C . QVS B 5 ? 0.7766 0.6582 0.7612 -0.0178 -0.0328 0.0451 305 QVS B C +1840 O O . QVS B 5 ? 0.7680 0.6467 0.7818 -0.0143 -0.0221 0.0410 305 QVS B O +1841 N N11 . QVS B 5 ? 0.7830 0.6673 0.7067 -0.0186 -0.0352 0.0425 305 QVS B N11 +1842 C C7 . QVS B 5 ? 0.7784 0.6637 0.6675 -0.0169 -0.0291 0.0368 305 QVS B C7 +1843 C C6 . QVS B 5 ? 0.7868 0.6705 0.6593 -0.0116 -0.0119 0.0266 305 QVS B C6 +1844 C C5 . QVS B 5 ? 0.7772 0.6616 0.6168 -0.0098 -0.0066 0.0218 305 QVS B C5 +1845 C C4 . QVS B 5 ? 0.7939 0.6810 0.6201 -0.0133 -0.0173 0.0265 305 QVS B C4 +1846 C C3 . QVS B 5 ? 0.7807 0.6679 0.6194 -0.0181 -0.0339 0.0350 305 QVS B C3 +1847 C C2 . QVS B 5 ? 0.7715 0.6576 0.6402 -0.0202 -0.0409 0.0408 305 QVS B C2 +1848 N N . QVS B 5 ? 0.7746 0.6589 0.6585 -0.0246 -0.0587 0.0501 305 QVS B N +1849 O O . QUK B 6 ? 0.8556 0.7252 0.7083 -0.0407 -0.1235 0.0875 306 QUK B O +1850 C C . QUK B 6 ? 0.8297 0.7058 0.7094 -0.0379 -0.1080 0.0813 306 QUK B C +1851 C C10 . QUK B 6 ? 0.8172 0.6941 0.7459 -0.0382 -0.1098 0.0858 306 QUK B C10 +1852 N N11 . QUK B 6 ? 0.8029 0.6835 0.7588 -0.0340 -0.0921 0.0770 306 QUK B N11 +1853 C C7 . QUK B 6 ? 0.7873 0.6680 0.7893 -0.0332 -0.0898 0.0792 306 QUK B C7 +1854 C CA . QUK B 6 ? 0.7806 0.6626 0.8000 -0.0276 -0.0686 0.0681 306 QUK B CA +1855 N N . QUK B 6 ? 0.7733 0.6562 0.7587 -0.0239 -0.0539 0.0571 306 QUK B N +1856 C C9 . QUK B 6 ? 0.8232 0.6957 0.7720 -0.0423 -0.1293 0.0991 306 QUK B C9 +1857 C C8 . QUK B 6 ? 0.8195 0.6935 0.8208 -0.0422 -0.1291 0.1031 306 QUK B C8 +1858 C C6 . QUK B 6 ? 0.7935 0.6718 0.8205 -0.0374 -0.1079 0.0922 306 QUK B C6 +1859 C C5 . QUK B 6 ? 0.7933 0.6720 0.8726 -0.0364 -0.1048 0.0945 306 QUK B C5 +1860 C C4 . QUK B 6 ? 0.7782 0.6582 0.8780 -0.0305 -0.0816 0.0822 306 QUK B C4 +1861 C C3 . QUK B 6 ? 0.7771 0.6580 0.8425 -0.0260 -0.0634 0.0688 306 QUK B C3 +1862 O OB . QUK B 6 ? 0.8493 0.7190 0.8734 -0.0463 -0.1494 0.1177 306 QUK B OB +1863 C CG . QUK B 6 ? 0.8849 0.7468 0.8709 -0.0507 -0.1714 0.1296 306 QUK B CG +1864 C CD . QUK B 6 ? 0.9027 0.7589 0.9164 -0.0550 -0.1943 0.1471 306 QUK B CD +1865 C CE . QUK B 6 ? 0.9136 0.7750 0.9977 -0.0538 -0.1889 0.1468 306 QUK B CE +1866 N N1 . QUK B 6 ? 0.9151 0.7809 1.0163 -0.0533 -0.1786 0.1492 306 QUK B N1 +1867 O O . ZY9 B 7 ? 0.7661 0.6514 0.6091 -0.0164 -0.0248 0.0236 307 ZY9 B O +1868 C C . ZY9 B 7 ? 0.8145 0.7017 0.6691 -0.0206 -0.0362 0.0344 307 ZY9 B C +1869 C CA . ZY9 B 7 ? 0.8200 0.7089 0.6519 -0.0234 -0.0443 0.0400 307 ZY9 B CA +1870 N N11 . ZY9 B 7 ? 0.8304 0.7179 0.6704 -0.0275 -0.0588 0.0509 307 ZY9 B N11 +1871 C C9 . ZY9 B 7 ? 0.8416 0.7317 0.6419 -0.0218 -0.0388 0.0344 307 ZY9 B C9 +1872 C C8 . ZY9 B 7 ? 0.8184 0.7084 0.5976 -0.0240 -0.0462 0.0384 307 ZY9 B C8 +1873 C C6 . ZY9 B 7 ? 0.8292 0.7162 0.6140 -0.0278 -0.0607 0.0479 307 ZY9 B C6 +1874 C C7 . ZY9 B 7 ? 0.8244 0.7101 0.6398 -0.0297 -0.0678 0.0548 307 ZY9 B C7 +1875 C C2 . ZY9 B 7 ? 0.8120 0.6931 0.6306 -0.0335 -0.0848 0.0651 307 ZY9 B C2 +1876 N N . ZY9 B 7 ? 0.8015 0.6823 0.6643 -0.0343 -0.0895 0.0703 307 ZY9 B N +1877 O O . QVE B 8 ? 0.8157 0.6963 0.7905 -0.0415 -0.1097 0.1013 308 QVE B O +1878 C C . QVE B 8 ? 0.8221 0.7051 0.7749 -0.0381 -0.0953 0.0885 308 QVE B C +1879 C CA . QVE B 8 ? 0.8147 0.6991 0.7850 -0.0333 -0.0784 0.0747 308 QVE B CA +1880 N N11 . QVE B 8 ? 0.7908 0.6761 0.7341 -0.0295 -0.0652 0.0621 308 QVE B N11 +1881 C C7 . QVE B 8 ? 0.8005 0.6843 0.7521 -0.0243 -0.0494 0.0490 308 QVE B C7 +1882 C C2 . QVE B 8 ? 0.8088 0.6924 0.7285 -0.0206 -0.0376 0.0379 308 QVE B C2 +1883 N N . QVE B 8 ? 0.8432 0.7295 0.7315 -0.0228 -0.0434 0.0417 308 QVE B N +1884 C C9 . QVE B 8 ? 0.8140 0.6973 0.8266 -0.0321 -0.0751 0.0738 308 QVE B C9 +1885 C C8 . QVE B 8 ? 0.8160 0.6975 0.8381 -0.0264 -0.0576 0.0587 308 QVE B C8 +1886 O OB . QVE B 8 ? 0.8807 0.7593 0.9416 -0.0243 -0.0524 0.0553 308 QVE B OB +1887 C CG . QVE B 8 ? 0.9643 0.8417 1.0631 -0.0230 -0.0507 0.0585 308 QVE B CG +1888 C CD . QVE B 8 ? 1.0168 0.8938 1.1593 -0.0263 -0.0624 0.0692 308 QVE B CD +1889 O OE2 . QVE B 8 ? 1.0252 0.9021 1.1618 -0.0274 -0.0642 0.0680 308 QVE B OE2 +1890 O OE1 . QVE B 8 ? 1.0798 0.9568 1.2643 -0.0279 -0.0705 0.0794 308 QVE B OE1 +1891 C C6 . QVE B 8 ? 0.8046 0.6856 0.7941 -0.0223 -0.0446 0.0462 308 QVE B C6 +1892 C C5 . QVE B 8 ? 0.7933 0.6694 0.7832 -0.0160 -0.0274 0.0310 308 QVE B C5 +1893 C C4 . QVE B 8 ? 0.7853 0.6597 0.7381 -0.0120 -0.0162 0.0202 308 QVE B C4 +1894 C C3 . QVE B 8 ? 0.7956 0.6746 0.7164 -0.0146 -0.0219 0.0244 308 QVE B C3 +1895 O O . ZY9 B 9 ? 0.8418 0.7344 0.6133 -0.0299 -0.0545 0.0541 309 ZY9 B O +1896 C C . ZY9 B 9 ? 0.8687 0.7600 0.6662 -0.0315 -0.0607 0.0598 309 ZY9 B C +1897 C CA . ZY9 B 9 ? 0.8664 0.7537 0.6653 -0.0349 -0.0740 0.0719 309 ZY9 B CA +1898 N N11 . ZY9 B 9 ? 0.8481 0.7336 0.6807 -0.0365 -0.0824 0.0778 309 ZY9 B N11 +1899 C C9 . ZY9 B 9 ? 0.8658 0.7493 0.6298 -0.0365 -0.0795 0.0782 309 ZY9 B C9 +1900 C C8 . ZY9 B 9 ? 0.8506 0.7271 0.6086 -0.0394 -0.0946 0.0898 309 ZY9 B C8 +1901 C C6 . ZY9 B 9 ? 0.8415 0.7168 0.6353 -0.0414 -0.1050 0.0964 309 ZY9 B C6 +1902 C C7 . ZY9 B 9 ? 0.8288 0.7093 0.6629 -0.0399 -0.0981 0.0905 309 ZY9 B C7 +1903 C C2 . ZY9 B 9 ? 0.8236 0.7025 0.6973 -0.0417 -0.1078 0.0976 309 ZY9 B C2 +1904 N N . ZY9 B 9 ? 0.8184 0.7016 0.7251 -0.0382 -0.0941 0.0865 309 ZY9 B N +1905 O O . ZY9 B 10 ? 0.8774 0.7623 0.8564 -0.0298 -0.0611 0.0578 310 ZY9 B O +1906 C C . ZY9 B 10 ? 0.8760 0.7635 0.8200 -0.0309 -0.0621 0.0600 310 ZY9 B C +1907 C CA . ZY9 B 10 ? 0.8781 0.7651 0.7953 -0.0272 -0.0519 0.0468 310 ZY9 B CA +1908 N N11 . ZY9 B 10 ? 0.8902 0.7799 0.7732 -0.0283 -0.0530 0.0497 310 ZY9 B N11 +1909 C C9 . ZY9 B 10 ? 0.8835 0.7656 0.8058 -0.0220 -0.0410 0.0310 310 ZY9 B C9 +1910 C C8 . ZY9 B 10 ? 0.8954 0.7760 0.7845 -0.0183 -0.0327 0.0195 310 ZY9 B C8 +1911 C C6 . ZY9 B 10 ? 0.9191 0.8046 0.7768 -0.0203 -0.0349 0.0242 310 ZY9 B C6 +1912 C C7 . ZY9 B 10 ? 0.8980 0.7878 0.7530 -0.0251 -0.0445 0.0387 310 ZY9 B C7 +1913 C C2 . ZY9 B 10 ? 0.8886 0.7810 0.7131 -0.0263 -0.0456 0.0419 310 ZY9 B C2 +1914 N N . ZY9 B 10 ? 0.8959 0.7878 0.7211 -0.0301 -0.0563 0.0550 310 ZY9 B N +1915 O OB . QVS B 11 ? 0.8801 0.7537 0.7686 -0.0517 -0.1312 0.1515 311 QVS B OB +1916 C C8 . QVS B 11 ? 0.8605 0.7399 0.7443 -0.0482 -0.1153 0.1333 311 QVS B C8 +1917 C C9 . QVS B 11 ? 0.8523 0.7322 0.6935 -0.0465 -0.1062 0.1275 311 QVS B C9 +1918 C CA . QVS B 11 ? 0.8413 0.7264 0.6813 -0.0433 -0.0927 0.1108 311 QVS B CA +1919 C C . QVS B 11 ? 0.8475 0.7342 0.6518 -0.0412 -0.0827 0.1034 311 QVS B C +1920 O O . QVS B 11 ? 0.8436 0.7260 0.6118 -0.0416 -0.0845 0.1087 311 QVS B O +1921 N N11 . QVS B 11 ? 0.8528 0.7406 0.7273 -0.0415 -0.0885 0.1005 311 QVS B N11 +1922 C C7 . QVS B 11 ? 0.8461 0.7331 0.7617 -0.0424 -0.0942 0.1043 311 QVS B C7 +1923 C C6 . QVS B 11 ? 0.8386 0.7221 0.7625 -0.0462 -0.1085 0.1215 311 QVS B C6 +1924 C C5 . QVS B 11 ? 0.8443 0.7271 0.8149 -0.0473 -0.1155 0.1267 311 QVS B C5 +1925 C C4 . QVS B 11 ? 0.8472 0.7319 0.8541 -0.0441 -0.1058 0.1131 311 QVS B C4 +1926 C C3 . QVS B 11 ? 0.8486 0.7350 0.8411 -0.0397 -0.0903 0.0947 311 QVS B C3 +1927 C C2 . QVS B 11 ? 0.8546 0.7427 0.8020 -0.0392 -0.0855 0.0909 311 QVS B C2 +1928 N N . QVS B 11 ? 0.8738 0.7630 0.8027 -0.0351 -0.0725 0.0747 311 QVS B N +1929 O O . ZY9 B 12 ? 0.8171 0.7080 0.6963 -0.0272 -0.0487 0.0360 312 ZY9 B O +1930 C C . ZY9 B 12 ? 0.8425 0.7372 0.7187 -0.0307 -0.0525 0.0507 312 ZY9 B C +1931 C CA . ZY9 B 12 ? 0.8441 0.7416 0.6868 -0.0313 -0.0505 0.0551 312 ZY9 B CA +1932 N N11 . ZY9 B 12 ? 0.8346 0.7322 0.6662 -0.0339 -0.0554 0.0676 312 ZY9 B N11 +1933 C C9 . ZY9 B 12 ? 0.8556 0.7541 0.6747 -0.0289 -0.0447 0.0459 312 ZY9 B C9 +1934 C C8 . ZY9 B 12 ? 0.8249 0.7255 0.6150 -0.0292 -0.0423 0.0497 312 ZY9 B C8 +1935 C C6 . ZY9 B 12 ? 0.8130 0.7127 0.5921 -0.0316 -0.0465 0.0612 312 ZY9 B C6 +1936 C C7 . ZY9 B 12 ? 0.8213 0.7189 0.6204 -0.0340 -0.0542 0.0703 312 ZY9 B C7 +1937 C C2 . ZY9 B 12 ? 0.8297 0.7239 0.6139 -0.0363 -0.0614 0.0820 312 ZY9 B C2 +1938 N N . ZY9 B 12 ? 0.8240 0.7157 0.6361 -0.0385 -0.0714 0.0899 312 ZY9 B N +1939 O OD1 . QDD B 13 ? 0.9224 0.8058 1.0195 -0.0374 -0.0837 0.0861 313 QDD B OD1 +1940 C CG . QDD B 13 ? 0.8702 0.7565 0.9557 -0.0420 -0.0936 0.1036 313 QDD B CG +1941 O OD2 . QDD B 13 ? 0.8832 0.7691 0.9760 -0.0455 -0.1059 0.1204 313 QDD B OD2 +1942 C CB . QDD B 13 ? 0.8377 0.7267 0.9065 -0.0430 -0.0908 0.1053 313 QDD B CB +1943 C C8 . QDD B 13 ? 0.8399 0.7308 0.8613 -0.0420 -0.0851 0.1001 313 QDD B C8 +1944 C C9 . QDD B 13 ? 0.8592 0.7515 0.8494 -0.0450 -0.0901 0.1160 313 QDD B C9 +1945 C C10 . QDD B 13 ? 0.8673 0.7609 0.8133 -0.0438 -0.0840 0.1112 313 QDD B C10 +1946 C C . QDD B 13 ? 0.9001 0.7927 0.8096 -0.0457 -0.0869 0.1245 313 QDD B C +1947 O O . QDD B 13 ? 0.9237 0.8127 0.8331 -0.0486 -0.0971 0.1416 313 QDD B O +1948 N N11 . QDD B 13 ? 0.8271 0.7216 0.7627 -0.0402 -0.0747 0.0930 313 QDD B N11 +1949 C C7 . QDD B 13 ? 0.8135 0.7061 0.7722 -0.0372 -0.0704 0.0782 313 QDD B C7 +1950 C C6 . QDD B 13 ? 0.8130 0.7031 0.8145 -0.0377 -0.0745 0.0801 313 QDD B C6 +1951 C C5 . QDD B 13 ? 0.7814 0.6669 0.8013 -0.0334 -0.0680 0.0622 313 QDD B C5 +1952 C C4 . QDD B 13 ? 0.8019 0.6847 0.7948 -0.0292 -0.0593 0.0450 313 QDD B C4 +1953 C C3 . QDD B 13 ? 0.8217 0.7080 0.7748 -0.0293 -0.0568 0.0449 313 QDD B C3 +1954 C C2 . QDD B 13 ? 0.8215 0.7131 0.7589 -0.0334 -0.0618 0.0613 313 QDD B C2 +1955 N N . QDD B 13 ? 0.8484 0.7429 0.7490 -0.0335 -0.0591 0.0628 313 QDD B N +1956 O O . ZY9 B 14 ? 0.8823 0.7887 0.7006 -0.0337 -0.0422 0.0700 314 ZY9 B O +1957 C C . ZY9 B 14 ? 0.9117 0.8171 0.7468 -0.0361 -0.0470 0.0811 314 ZY9 B C +1958 C CA . ZY9 B 14 ? 0.9210 0.8243 0.7379 -0.0381 -0.0491 0.0958 314 ZY9 B CA +1959 N N11 . ZY9 B 14 ? 0.9039 0.8041 0.7358 -0.0400 -0.0582 0.1032 314 ZY9 B N11 +1960 C C9 . ZY9 B 14 ? 0.9233 0.8261 0.7073 -0.0377 -0.0428 0.1024 314 ZY9 B C9 +1961 C C8 . ZY9 B 14 ? 0.9114 0.8085 0.6724 -0.0390 -0.0465 0.1155 314 ZY9 B C8 +1962 C C6 . ZY9 B 14 ? 0.9158 0.8092 0.6911 -0.0413 -0.0584 0.1229 314 ZY9 B C6 +1963 C C7 . ZY9 B 14 ? 0.9064 0.8022 0.7205 -0.0420 -0.0640 0.1174 314 ZY9 B C7 +1964 C C2 . ZY9 B 14 ? 0.9190 0.8111 0.7511 -0.0443 -0.0759 0.1267 314 ZY9 B C2 +1965 N N . ZY9 B 14 ? 0.9007 0.7948 0.7760 -0.0439 -0.0782 0.1174 314 ZY9 B N +1966 O O . QVE B 15 ? 0.8069 0.7036 0.8327 -0.0437 -0.0790 0.1046 315 QVE B O +1967 C C . QVE B 15 ? 0.8424 0.7415 0.8330 -0.0432 -0.0738 0.1039 315 QVE B C +1968 C CA . QVE B 15 ? 0.8317 0.7302 0.8067 -0.0398 -0.0679 0.0854 315 QVE B CA +1969 N N11 . QVE B 15 ? 0.8200 0.7209 0.7574 -0.0389 -0.0623 0.0834 315 QVE B N11 +1970 C C7 . QVE B 15 ? 0.8319 0.7322 0.7560 -0.0359 -0.0581 0.0675 315 QVE B C7 +1971 C C2 . QVE B 15 ? 0.8496 0.7525 0.7388 -0.0350 -0.0526 0.0664 315 QVE B C2 +1972 N N . QVE B 15 ? 0.8873 0.7920 0.7578 -0.0369 -0.0516 0.0805 315 QVE B N +1973 C C9 . QVE B 15 ? 0.8460 0.7402 0.8436 -0.0373 -0.0683 0.0687 315 QVE B C9 +1974 C C8 . QVE B 15 ? 0.8469 0.7383 0.8254 -0.0339 -0.0648 0.0513 315 QVE B C8 +1975 O OB . QVE B 15 ? 0.8806 0.7647 0.8731 -0.0309 -0.0669 0.0341 315 QVE B OB +1976 C CG . QVE B 15 ? 0.9173 0.7938 0.9276 -0.0281 -0.0661 0.0241 315 QVE B CG +1977 C CD . QVE B 15 ? 0.9672 0.8323 0.9898 -0.0245 -0.0700 0.0034 315 QVE B CD +1978 O OE2 . QVE B 15 ? 0.9952 0.8514 1.0332 -0.0211 -0.0676 -0.0076 315 QVE B OE2 +1979 O OE1 . QVE B 15 ? 0.9610 0.8259 0.9826 -0.0254 -0.0762 0.0004 315 QVE B OE1 +1980 C C6 . QVE B 15 ? 0.8425 0.7377 0.7854 -0.0334 -0.0602 0.0514 315 QVE B C6 +1981 C C5 . QVE B 15 ? 0.8410 0.7329 0.7657 -0.0301 -0.0585 0.0351 315 QVE B C5 +1982 C C4 . QVE B 15 ? 0.8561 0.7519 0.7483 -0.0296 -0.0538 0.0360 315 QVE B C4 +1983 C C3 . QVE B 15 ? 0.8595 0.7611 0.7353 -0.0320 -0.0500 0.0511 315 QVE B C3 +1984 O O . QUK B 16 ? 1.0285 0.9384 0.9027 -0.0430 -0.0419 0.1346 316 QUK B O +1985 C C . QUK B 16 ? 0.9989 0.9042 0.8499 -0.0439 -0.0449 0.1455 316 QUK B C +1986 C C10 . QUK B 16 ? 0.9708 0.8725 0.8379 -0.0463 -0.0560 0.1551 316 QUK B C10 +1987 N N11 . QUK B 16 ? 0.9343 0.8367 0.8361 -0.0467 -0.0640 0.1450 316 QUK B N11 +1988 C C7 . QUK B 16 ? 0.9253 0.8251 0.8529 -0.0489 -0.0741 0.1540 316 QUK B C7 +1989 C CA . QUK B 16 ? 0.8996 0.7996 0.8650 -0.0484 -0.0790 0.1415 316 QUK B CA +1990 N N . QUK B 16 ? 0.8869 0.7881 0.8513 -0.0454 -0.0731 0.1207 316 QUK B N +1991 C C9 . QUK B 16 ? 0.9904 0.8868 0.8401 -0.0480 -0.0587 0.1759 316 QUK B C9 +1992 C C8 . QUK B 16 ? 1.0021 0.8952 0.8748 -0.0507 -0.0716 0.1867 316 QUK B C8 +1993 C C6 . QUK B 16 ? 0.9560 0.8518 0.8720 -0.0513 -0.0793 0.1760 316 QUK B C6 +1994 C C5 . QUK B 16 ? 0.9510 0.8442 0.8993 -0.0539 -0.0915 0.1870 316 QUK B C5 +1995 C C4 . QUK B 16 ? 0.9179 0.8128 0.9097 -0.0537 -0.0962 0.1745 316 QUK B C4 +1996 C C3 . QUK B 16 ? 0.8927 0.7902 0.8910 -0.0506 -0.0890 0.1510 316 QUK B C3 +1997 O OB . QUK B 16 ? 1.0903 0.9764 0.9457 -0.0524 -0.0772 0.2087 316 QUK B OB +1998 C CG . QUK B 16 ? 1.1457 1.0270 0.9558 -0.0508 -0.0647 0.2236 316 QUK B CG +1999 C CD . QUK B 16 ? 1.1887 1.0592 0.9787 -0.0525 -0.0736 0.2486 316 QUK B CD +2000 C CE . QUK B 16 ? 1.2031 1.0717 1.0259 -0.0559 -0.0950 0.2512 316 QUK B CE +2001 O OXT . QUK B 16 ? 1.0039 0.9063 0.8141 -0.0424 -0.0388 0.1469 316 QUK B OXT +2002 N N1 . QUK B 16 ? 1.1999 1.0678 1.0175 -0.0554 -0.1051 0.2303 316 QUK B N1 +2003 ZN ZN . ZN C . ? 1.2920 1.1544 0.8632 0.0186 0.0254 -0.0022 301 ZN A ZN +# \ No newline at end of file diff --git a/tests/structure/data/6q9t_with_alt_ids.cif b/tests/structure/data/6q9t_with_alt_ids.cif new file mode 100644 index 000000000..e8fae0877 --- /dev/null +++ b/tests/structure/data/6q9t_with_alt_ids.cif @@ -0,0 +1,7643 @@ +data_6Q9T +# +_entry.id 6Q9T +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.397 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 6Q9T pdb_00006q9t 10.2210/pdb6q9t/pdb +WWPDB D_1200013487 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2019-09-18 +2 'Structure model' 2 0 2023-11-15 +3 'Structure model' 2 1 2024-01-24 +4 'Structure model' 3 0 2024-08-14 +5 'Structure model' 3 1 2024-10-23 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Atomic model' +2 2 'Structure model' 'Data collection' +3 2 'Structure model' 'Database references' +4 2 'Structure model' 'Derived calculations' +5 3 'Structure model' 'Refinement description' +6 4 'Structure model' 'Atomic model' +7 4 'Structure model' 'Data collection' +8 4 'Structure model' 'Database references' +9 4 'Structure model' 'Derived calculations' +10 4 'Structure model' 'Non-polymer description' +11 4 'Structure model' Other +12 4 'Structure model' 'Polymer sequence' +13 4 'Structure model' 'Refinement description' +14 4 'Structure model' 'Source and taxonomy' +15 4 'Structure model' 'Structure summary' +16 5 'Structure model' 'Derived calculations' +17 5 'Structure model' 'Structure summary' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 2 'Structure model' atom_site +2 2 'Structure model' atom_site_anisotrop +3 2 'Structure model' chem_comp_atom +4 2 'Structure model' chem_comp_bond +5 2 'Structure model' database_2 +6 2 'Structure model' struct_conn +7 2 'Structure model' struct_conn_type +8 3 'Structure model' pdbx_initial_refinement_model +9 4 'Structure model' atom_site +10 4 'Structure model' atom_site_anisotrop +11 4 'Structure model' chem_comp +12 4 'Structure model' chem_comp_atom +13 4 'Structure model' chem_comp_bond +14 4 'Structure model' entity +15 4 'Structure model' entity_poly +16 4 'Structure model' entity_poly_seq +17 4 'Structure model' entity_src_gen +18 4 'Structure model' pdbx_database_status +19 4 'Structure model' pdbx_entity_nonpoly +20 4 'Structure model' pdbx_entity_src_syn +21 4 'Structure model' pdbx_nonpoly_scheme +22 4 'Structure model' pdbx_poly_seq_scheme +23 4 'Structure model' pdbx_refine_tls_group +24 4 'Structure model' pdbx_struct_assembly +25 4 'Structure model' pdbx_struct_assembly_gen +26 4 'Structure model' pdbx_struct_assembly_prop +27 4 'Structure model' pdbx_struct_conn_angle +28 4 'Structure model' pdbx_validate_peptide_omega +29 4 'Structure model' pdbx_validate_rmsd_angle +30 4 'Structure model' pdbx_validate_torsion +31 4 'Structure model' struct_asym +32 4 'Structure model' struct_conn +33 4 'Structure model' struct_mon_prot_cis +34 4 'Structure model' struct_ref +35 4 'Structure model' struct_ref_seq +36 4 'Structure model' struct_site +37 4 'Structure model' struct_site_gen +38 5 'Structure model' pdbx_entry_details +39 5 'Structure model' pdbx_modification_feature +40 5 'Structure model' struct_conn +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 2 'Structure model' '_atom_site.auth_atom_id' +2 2 'Structure model' '_atom_site.label_atom_id' +3 2 'Structure model' '_atom_site_anisotrop.pdbx_auth_atom_id' +4 2 'Structure model' '_atom_site_anisotrop.pdbx_label_atom_id' +5 2 'Structure model' '_database_2.pdbx_DOI' +6 2 'Structure model' '_database_2.pdbx_database_accession' +7 2 'Structure model' '_struct_conn.conn_type_id' +8 2 'Structure model' '_struct_conn.id' +9 2 'Structure model' '_struct_conn.pdbx_dist_value' +10 2 'Structure model' '_struct_conn.pdbx_leaving_atom_flag' +11 2 'Structure model' '_struct_conn.ptnr1_auth_comp_id' +12 2 'Structure model' '_struct_conn.ptnr1_auth_seq_id' +13 2 'Structure model' '_struct_conn.ptnr1_label_asym_id' +14 2 'Structure model' '_struct_conn.ptnr1_label_atom_id' +15 2 'Structure model' '_struct_conn.ptnr1_label_comp_id' +16 2 'Structure model' '_struct_conn.ptnr1_label_seq_id' +17 2 'Structure model' '_struct_conn.ptnr2_auth_comp_id' +18 2 'Structure model' '_struct_conn.ptnr2_auth_seq_id' +19 2 'Structure model' '_struct_conn.ptnr2_label_asym_id' +20 2 'Structure model' '_struct_conn.ptnr2_label_atom_id' +21 2 'Structure model' '_struct_conn.ptnr2_label_comp_id' +22 2 'Structure model' '_struct_conn_type.id' +23 4 'Structure model' '_atom_site.B_iso_or_equiv' +24 4 'Structure model' '_atom_site.Cartn_x' +25 4 'Structure model' '_atom_site.Cartn_y' +26 4 'Structure model' '_atom_site.Cartn_z' +27 4 'Structure model' '_atom_site.auth_asym_id' +28 4 'Structure model' '_atom_site.auth_atom_id' +29 4 'Structure model' '_atom_site.auth_comp_id' +30 4 'Structure model' '_atom_site.auth_seq_id' +31 4 'Structure model' '_atom_site.label_asym_id' +32 4 'Structure model' '_atom_site.label_atom_id' +33 4 'Structure model' '_atom_site.label_comp_id' +34 4 'Structure model' '_atom_site.label_entity_id' +35 4 'Structure model' '_atom_site.label_seq_id' +36 4 'Structure model' '_atom_site.type_symbol' +37 4 'Structure model' '_atom_site_anisotrop.U[1][1]' +38 4 'Structure model' '_atom_site_anisotrop.U[1][2]' +39 4 'Structure model' '_atom_site_anisotrop.U[1][3]' +40 4 'Structure model' '_atom_site_anisotrop.U[2][2]' +41 4 'Structure model' '_atom_site_anisotrop.U[2][3]' +42 4 'Structure model' '_atom_site_anisotrop.U[3][3]' +43 4 'Structure model' '_atom_site_anisotrop.pdbx_auth_asym_id' +44 4 'Structure model' '_atom_site_anisotrop.pdbx_auth_atom_id' +45 4 'Structure model' '_atom_site_anisotrop.pdbx_auth_comp_id' +46 4 'Structure model' '_atom_site_anisotrop.pdbx_auth_seq_id' +47 4 'Structure model' '_atom_site_anisotrop.pdbx_label_asym_id' +48 4 'Structure model' '_atom_site_anisotrop.pdbx_label_atom_id' +49 4 'Structure model' '_atom_site_anisotrop.pdbx_label_comp_id' +50 4 'Structure model' '_atom_site_anisotrop.pdbx_label_seq_id' +51 4 'Structure model' '_atom_site_anisotrop.type_symbol' +52 4 'Structure model' '_chem_comp.formula' +53 4 'Structure model' '_chem_comp.formula_weight' +54 4 'Structure model' '_chem_comp.id' +55 4 'Structure model' '_chem_comp.mon_nstd_flag' +56 4 'Structure model' '_chem_comp.name' +57 4 'Structure model' '_chem_comp.type' +58 4 'Structure model' '_entity_src_gen.gene_src_common_name' +59 4 'Structure model' '_pdbx_database_status.pdb_format_compatible' +60 4 'Structure model' '_pdbx_refine_tls_group.end_auth_seq_id' +61 4 'Structure model' '_pdbx_struct_assembly.details' +62 4 'Structure model' '_pdbx_struct_assembly.method_details' +63 4 'Structure model' '_pdbx_struct_assembly.oligomeric_count' +64 4 'Structure model' '_pdbx_struct_assembly.oligomeric_details' +65 4 'Structure model' '_pdbx_struct_assembly_gen.asym_id_list' +66 4 'Structure model' '_pdbx_struct_conn_angle.ptnr2_label_asym_id' +67 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_asym_id' +68 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_comp_id' +69 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_seq_id' +70 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_asym_id' +71 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_atom_id' +72 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_comp_id' +73 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_seq_id' +74 5 'Structure model' '_struct_conn.pdbx_leaving_atom_flag' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 6Q9T +_pdbx_database_status.recvd_initial_deposition_date 2018-12-18 +_pdbx_database_status.SG_entry N +_pdbx_database_status.deposit_site PDBE +_pdbx_database_status.process_site PDBE +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible N +_pdbx_database_status.status_code_nmr_data ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Post, S.' 1 ? +;Langlois d'Estaintot, B. +; +2 0000-0003-3607-4899 +'Fischer, L.' 3 0000-0003-2648-793X +'Granier, T.' 4 0000-0002-7900-7285 +'Huc, I.' 5 0000-0001-7036-9696 +# +_citation.abstract ? +_citation.abstract_id_CAS ? +_citation.book_id_ISBN ? +_citation.book_publisher ? +_citation.book_publisher_city ? +_citation.book_title ? +_citation.coordinate_linkage ? +_citation.country GE +_citation.database_id_Medline ? +_citation.details ? +_citation.id primary +_citation.journal_abbrev Chemistry +_citation.journal_id_ASTM ? +_citation.journal_id_CSD ? +_citation.journal_id_ISSN 0947-6539 +_citation.journal_full ? +_citation.journal_issue ? +_citation.journal_volume 25 +_citation.language ? +_citation.page_first 11042 +_citation.page_last 11047 +_citation.title +'Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas.' +_citation.year 2019 +_citation.database_id_CSD ? +_citation.pdbx_database_id_DOI 10.1002/chem.201902942 +_citation.pdbx_database_id_PubMed 31257622 +_citation.unpublished_flag ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Reddy, P.S.' 1 0000-0002-0155-5505 +primary +;Langlois d'Estaintot, B. +; +2 0000-0003-3607-4899 +primary 'Granier, T.' 3 0000-0002-7900-7285 +primary 'Mackereth, C.D.' 4 0000-0002-0776-7947 +primary 'Fischer, L.' 5 0000-0003-2648-793X +primary 'Huc, I.' 6 0000-0001-7036-9696 +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'Carbonic anhydrase 2' 29157.863 1 4.2.1.1 ? ? ? +2 polymer syn 'Aromatic foldamer' 3044.020 1 ? ? ? ? +3 non-polymer syn 'ZINC ION' 65.409 1 ? ? ? ? +4 water nat water 18.015 6 ? ? ? ? +# +_entity_name_com.entity_id 1 +_entity_name_com.name 'Carbonate dehydratase II,Carbonic anhydrase C,CAC,Carbonic anhydrase II,CA-II' +# +loop_ +_entity_poly.entity_id +_entity_poly.type +_entity_poly.nstd_linkage +_entity_poly.nstd_monomer +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +_entity_poly.pdbx_strand_id +_entity_poly.pdbx_target_identifier +1 'polypeptide(L)' no no +;SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKG +GPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVD +VLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMV +DNWRPAQPLKNRQIKASFK +; +;SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKG +GPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVD +VLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMV +DNWRPAQPLKNRQIKASFK +; +A ? +2 'polypeptide(L)' no yes +;(4SO)(A1IJ4)(QUJ)(ZY9)(QVS)(QUK)(ZY9)(QVE)(ZY9)(ZY9)(QVS)(ZY9)(QDD)(ZY9)(QVE) +(QUK) +; +XXXXXXXXXXXXXXXX B ? +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +3 'ZINC ION' ZN +4 water HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 SER n +1 2 HIS n +1 3 HIS n +1 4 TRP n +1 5 GLY n +1 6 TYR n +1 7 GLY n +1 8 LYS n +1 9 HIS n +1 10 ASN n +1 11 GLY n +1 12 PRO n +1 13 GLU n +1 14 HIS n +1 15 TRP n +1 16 HIS n +1 17 LYS n +1 18 ASP n +1 19 PHE n +1 20 PRO n +1 21 ILE n +1 22 ALA n +1 23 LYS n +1 24 GLY n +1 25 GLU n +1 26 ARG n +1 27 GLN n +1 28 SER n +1 29 PRO n +1 30 VAL n +1 31 ASP n +1 32 ILE n +1 33 ASP n +1 34 THR n +1 35 HIS n +1 36 THR n +1 37 ALA n +1 38 LYS n +1 39 TYR n +1 40 ASP n +1 41 PRO n +1 42 SER n +1 43 LEU n +1 44 LYS n +1 45 PRO n +1 46 LEU n +1 47 SER n +1 48 VAL n +1 49 SER n +1 50 TYR n +1 51 ASP n +1 52 GLN n +1 53 ALA n +1 54 THR n +1 55 SER n +1 56 LEU n +1 57 ARG n +1 58 ILE n +1 59 LEU n +1 60 ASN n +1 61 ASN n +1 62 GLY n +1 63 HIS n +1 64 ALA n +1 65 PHE n +1 66 ASN n +1 67 VAL n +1 68 GLU n +1 69 PHE n +1 70 ASP n +1 71 ASP n +1 72 SER n +1 73 GLN n +1 74 ASP n +1 75 LYS n +1 76 ALA n +1 77 VAL n +1 78 LEU n +1 79 LYS n +1 80 GLY n +1 81 GLY n +1 82 PRO n +1 83 LEU n +1 84 ASP n +1 85 GLY n +1 86 THR n +1 87 TYR n +1 88 ARG n +1 89 LEU n +1 90 ILE n +1 91 GLN n +1 92 PHE n +1 93 HIS n +1 94 PHE n +1 95 HIS n +1 96 TRP n +1 97 GLY n +1 98 SER n +1 99 LEU n +1 100 ASP n +1 101 GLY n +1 102 GLN n +1 103 GLY n +1 104 SER n +1 105 GLU n +1 106 HIS n +1 107 THR n +1 108 VAL n +1 109 ASP n +1 110 LYS n +1 111 LYS n +1 112 LYS n +1 113 TYR n +1 114 ALA n +1 115 ALA n +1 116 GLU n +1 117 LEU n +1 118 HIS n +1 119 LEU n +1 120 VAL n +1 121 HIS n +1 122 TRP n +1 123 ASN n +1 124 THR n +1 125 LYS n +1 126 TYR n +1 127 GLY n +1 128 ASP n +1 129 PHE n +1 130 GLY n +1 131 LYS n +1 132 ALA n +1 133 VAL n +1 134 GLN n +1 135 GLN n +1 136 PRO n +1 137 ASP n +1 138 GLY n +1 139 LEU n +1 140 ALA n +1 141 VAL n +1 142 LEU n +1 143 GLY n +1 144 ILE n +1 145 PHE n +1 146 LEU n +1 147 LYS n +1 148 VAL n +1 149 GLY n +1 150 SER n +1 151 ALA n +1 152 LYS n +1 153 PRO n +1 154 GLY n +1 155 LEU n +1 156 GLN n +1 157 LYS n +1 158 VAL n +1 159 VAL n +1 160 ASP n +1 161 VAL n +1 162 LEU n +1 163 ASP n +1 164 SER n +1 165 ILE n +1 166 LYS n +1 167 THR n +1 168 LYS n +1 169 GLY n +1 170 LYS n +1 171 SER n +1 172 ALA n +1 173 ASP n +1 174 PHE n +1 175 THR n +1 176 ASN n +1 177 PHE n +1 178 ASP n +1 179 PRO n +1 180 ARG n +1 181 GLY n +1 182 LEU n +1 183 LEU n +1 184 PRO n +1 185 GLU n +1 186 SER n +1 187 LEU n +1 188 ASP n +1 189 TYR n +1 190 TRP n +1 191 THR n +1 192 TYR n +1 193 PRO n +1 194 GLY n +1 195 SER n +1 196 LEU n +1 197 THR n +1 198 THR n +1 199 PRO n +1 200 PRO n +1 201 LEU n +1 202 LEU n +1 203 GLU n +1 204 CYS n +1 205 VAL n +1 206 THR n +1 207 TRP n +1 208 ILE n +1 209 VAL n +1 210 LEU n +1 211 LYS n +1 212 GLU n +1 213 PRO n +1 214 ILE n +1 215 SER n +1 216 VAL n +1 217 SER n +1 218 SER n +1 219 GLU n +1 220 GLN n +1 221 VAL n +1 222 LEU n +1 223 LYS n +1 224 PHE n +1 225 ARG n +1 226 LYS n +1 227 LEU n +1 228 ASN n +1 229 PHE n +1 230 ASN n +1 231 GLY n +1 232 GLU n +1 233 GLY n +1 234 GLU n +1 235 PRO n +1 236 GLU n +1 237 GLU n +1 238 LEU n +1 239 MET n +1 240 VAL n +1 241 ASP n +1 242 ASN n +1 243 TRP n +1 244 ARG n +1 245 PRO n +1 246 ALA n +1 247 GLN n +1 248 PRO n +1 249 LEU n +1 250 LYS n +1 251 ASN n +1 252 ARG n +1 253 GLN n +1 254 ILE n +1 255 LYS n +1 256 ALA n +1 257 SER n +1 258 PHE n +1 259 LYS n +2 1 4SO n +2 2 A1IJ4 n +2 3 QUJ n +2 4 ZY9 n +2 5 QVS n +2 6 QUK n +2 7 ZY9 n +2 8 QVE n +2 9 ZY9 n +2 10 ZY9 n +2 11 QVS n +2 12 ZY9 n +2 13 QDD n +2 14 ZY9 n +2 15 QVE n +2 16 QUK n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_alt_source_flag sample +_entity_src_gen.pdbx_seq_type 'Biological sequence' +_entity_src_gen.pdbx_beg_seq_num 1 +_entity_src_gen.pdbx_end_seq_num 259 +_entity_src_gen.gene_src_common_name human +_entity_src_gen.gene_src_genus ? +_entity_src_gen.pdbx_gene_src_gene CA2 +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain ? +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line ? +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21(DE3)' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 +_entity_src_gen.host_org_genus ? +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species ? +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain ? +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type plasmid +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.host_org_details ? +_entity_src_gen.expression_system_id ? +_entity_src_gen.plasmid_name ? +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +_pdbx_entity_src_syn.entity_id 2 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num 1 +_pdbx_entity_src_syn.pdbx_end_seq_num 16 +_pdbx_entity_src_syn.organism_scientific 'synthetic construct' +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id 32630 +_pdbx_entity_src_syn.details ? +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +4SO non-polymer . '4-sulfamoylbenzoic acid' ? 'C7 H7 N O4 S' 201.200 +A1IJ4 'L-peptide linking' . '4-[3-(aminomethyl)phenoxy]butylcarbamic acid' ? 'C12 H18 N2 O3' 238.283 +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +QDD 'L-peptide linking' . '2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid' ? 'C12 H10 N2 O4' 246.219 +QUJ 'L-peptide linking' . '8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid' ? 'C14 H16 N2 O3' 260.288 +QUK 'L-peptide linking' . '8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid' ? 'C13 H15 N3 O3' 261.276 +QVE 'L-peptide linking' . '8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid' ? 'C12 H10 N2 O5' 262.218 +QVS 'L-peptide linking' . '8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid' ? 'C10 H8 N2 O3' 204.182 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 +ZY9 'L-peptide linking' . '6-(aminomethyl)pyridine-2-carboxylic acid' ? 'C7 H8 N2 O2' 152.151 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 SER 1 2 ? ? ? A . n +A 1 2 HIS 2 3 ? ? ? A . n +A 1 3 HIS 3 4 ? ? ? A . n +A 1 4 TRP 4 5 ? ? ? A . n +A 1 5 GLY 5 6 ? ? ? A . n +A 1 6 TYR 6 7 ? ? ? A . n +A 1 7 GLY 7 8 ? ? ? A . n +A 1 8 LYS 8 9 ? ? ? A . n +A 1 9 HIS 9 10 ? ? ? A . n +A 1 10 ASN 10 11 ? ? ? A . n +A 1 11 GLY 11 12 12 GLY GLY A . n +A 1 12 PRO 12 13 13 PRO PRO A . n +A 1 13 GLU 13 14 14 GLU GLU A . n +A 1 14 HIS 14 15 15 HIS HIS A . n +A 1 15 TRP 15 16 16 TRP TRP A . n +A 1 16 HIS 16 17 17 HIS HIS A . n +A 1 17 LYS 17 18 18 LYS LYS A . n +A 1 18 ASP 18 19 19 ASP ASP A . n +A 1 19 PHE 19 20 20 PHE PHE A . n +A 1 20 PRO 20 21 21 PRO PRO A . n +A 1 21 ILE 21 22 22 ILE ILE A . n +A 1 22 ALA 22 23 23 ALA ALA A . n +A 1 23 LYS 23 24 24 LYS LYS A . n +A 1 24 GLY 24 25 25 GLY GLY A . n +A 1 25 GLU 25 26 26 GLU GLU A . n +A 1 26 ARG 26 27 27 ARG ARG A . n +A 1 27 GLN 27 28 28 GLN GLN A . n +A 1 28 SER 28 29 29 SER SER A . n +A 1 29 PRO 29 30 30 PRO PRO A . n +A 1 30 VAL 30 31 31 VAL VAL A . n +A 1 31 ASP 31 32 32 ASP ASP A . n +A 1 32 ILE 32 33 33 ILE ILE A . n +A 1 33 ASP 33 34 34 ASP ASP A . n +A 1 34 THR 34 35 35 THR THR A . n +A 1 35 HIS 35 36 36 HIS HIS A . n +A 1 36 THR 36 37 37 THR THR A . n +A 1 37 ALA 37 38 38 ALA ALA A . n +A 1 38 LYS 38 39 39 LYS LYS A . n +A 1 39 TYR 39 40 40 TYR TYR A . n +A 1 40 ASP 40 41 41 ASP ASP A . n +A 1 41 PRO 41 42 42 PRO PRO A . n +A 1 42 SER 42 43 43 SER SER A . n +A 1 43 LEU 43 44 44 LEU LEU A . n +A 1 44 LYS 44 45 45 LYS LYS A . n +A 1 45 PRO 45 46 46 PRO PRO A . n +A 1 46 LEU 46 47 47 LEU LEU A . n +A 1 47 SER 47 48 48 SER SER A . n +A 1 48 VAL 48 49 49 VAL VAL A . n +A 1 49 SER 49 50 50 SER SER A . n +A 1 50 TYR 50 51 51 TYR TYR A . n +A 1 51 ASP 51 52 52 ASP ASP A . n +A 1 52 GLN 52 53 53 GLN GLN A . n +A 1 53 ALA 53 54 54 ALA ALA A . n +A 1 54 THR 54 55 55 THR THR A . n +A 1 55 SER 55 56 56 SER SER A . n +A 1 56 LEU 56 57 57 LEU LEU A . n +A 1 57 ARG 57 58 58 ARG ARG A . n +A 1 58 ILE 58 59 59 ILE ILE A . n +A 1 59 LEU 59 60 60 LEU LEU A . n +A 1 60 ASN 60 61 61 ASN ASN A . n +A 1 61 ASN 61 62 62 ASN ASN A . n +A 1 62 GLY 62 63 63 GLY GLY A . n +A 1 63 HIS 63 64 64 HIS HIS A . n +A 1 64 ALA 64 65 65 ALA ALA A . n +A 1 65 PHE 65 66 66 PHE PHE A . n +A 1 66 ASN 66 67 67 ASN ASN A . n +A 1 67 VAL 67 68 68 VAL VAL A . n +A 1 68 GLU 68 69 69 GLU GLU A . n +A 1 69 PHE 69 70 70 PHE PHE A . n +A 1 70 ASP 70 71 71 ASP ASP A . n +A 1 71 ASP 71 72 72 ASP ASP A . n +A 1 72 SER 72 73 73 SER SER A . n +A 1 73 GLN 73 74 74 GLN GLN A . n +A 1 74 ASP 74 75 75 ASP ASP A . n +A 1 75 LYS 75 76 76 LYS LYS A . n +A 1 76 ALA 76 77 77 ALA ALA A . n +A 1 77 VAL 77 78 78 VAL VAL A . n +A 1 78 LEU 78 79 79 LEU LEU A . n +A 1 79 LYS 79 80 80 LYS LYS A . n +A 1 80 GLY 80 81 81 GLY GLY A . n +A 1 81 GLY 81 82 82 GLY GLY A . n +A 1 82 PRO 82 83 83 PRO PRO A . n +A 1 83 LEU 83 84 84 LEU LEU A . n +A 1 84 ASP 84 85 85 ASP ASP A . n +A 1 85 GLY 85 86 86 GLY GLY A . n +A 1 86 THR 86 87 87 THR THR A . n +A 1 87 TYR 87 88 88 TYR TYR A . n +A 1 88 ARG 88 89 89 ARG ARG A . n +A 1 89 LEU 89 90 90 LEU LEU A . n +A 1 90 ILE 90 91 91 ILE ILE A . n +A 1 91 GLN 91 92 92 GLN GLN A . n +A 1 92 PHE 92 93 93 PHE PHE A . n +A 1 93 HIS 93 94 94 HIS HIS A . n +A 1 94 PHE 94 95 95 PHE PHE A . n +A 1 95 HIS 95 96 96 HIS HIS A . n +A 1 96 TRP 96 97 97 TRP TRP A . n +A 1 97 GLY 97 98 98 GLY GLY A . n +A 1 98 SER 98 99 99 SER SER A . n +A 1 99 LEU 99 100 100 LEU LEU A . n +A 1 100 ASP 100 101 101 ASP ASP A . n +A 1 101 GLY 101 102 102 GLY GLY A . n +A 1 102 GLN 102 103 103 GLN GLN A . n +A 1 103 GLY 103 104 104 GLY GLY A . n +A 1 104 SER 104 105 105 SER SER A . n +A 1 105 GLU 105 106 106 GLU GLU A . n +A 1 106 HIS 106 107 107 HIS HIS A . n +A 1 107 THR 107 108 108 THR THR A . n +A 1 108 VAL 108 109 109 VAL VAL A . n +A 1 109 ASP 109 110 110 ASP ASP A . n +A 1 110 LYS 110 111 111 LYS LYS A . n +A 1 111 LYS 111 112 112 LYS LYS A . n +A 1 112 LYS 112 113 113 LYS LYS A . n +A 1 113 TYR 113 114 114 TYR TYR A . n +A 1 114 ALA 114 115 115 ALA ALA A . n +A 1 115 ALA 115 116 116 ALA ALA A . n +A 1 116 GLU 116 117 117 GLU GLU A . n +A 1 117 LEU 117 118 118 LEU LEU A . n +A 1 118 HIS 118 119 119 HIS HIS A . n +A 1 119 LEU 119 120 120 LEU LEU A . n +A 1 120 VAL 120 121 121 VAL VAL A . n +A 1 121 HIS 121 122 122 HIS HIS A . n +A 1 122 TRP 122 123 123 TRP TRP A . n +A 1 123 ASN 123 124 124 ASN ASN A . n +A 1 124 THR 124 125 125 THR THR A . n +A 1 125 LYS 125 126 126 LYS LYS A . n +A 1 126 TYR 126 127 127 TYR TYR A . n +A 1 127 GLY 127 128 128 GLY GLY A . n +A 1 128 ASP 128 129 129 ASP ASP A . n +A 1 129 PHE 129 130 130 PHE PHE A . n +A 1 130 GLY 130 131 131 GLY GLY A . n +A 1 131 LYS 131 132 132 LYS LYS A . n +A 1 132 ALA 132 133 133 ALA ALA A . n +A 1 133 VAL 133 134 134 VAL VAL A . n +A 1 134 GLN 134 135 135 GLN GLN A . n +A 1 135 GLN 135 136 136 GLN GLN A . n +A 1 136 PRO 136 137 137 PRO PRO A . n +A 1 137 ASP 137 138 138 ASP ASP A . n +A 1 138 GLY 138 139 139 GLY GLY A . n +A 1 139 LEU 139 140 140 LEU LEU A . n +A 1 140 ALA 140 141 141 ALA ALA A . n +A 1 141 VAL 141 142 142 VAL VAL A . n +A 1 142 LEU 142 143 143 LEU LEU A . n +A 1 143 GLY 143 144 144 GLY GLY A . n +A 1 144 ILE 144 145 145 ILE ILE A . n +A 1 145 PHE 145 146 146 PHE PHE A . n +A 1 146 LEU 146 147 147 LEU LEU A . n +A 1 147 LYS 147 148 148 LYS LYS A . n +A 1 148 VAL 148 149 149 VAL VAL A . n +A 1 149 GLY 149 150 150 GLY GLY A . n +A 1 150 SER 150 151 151 SER SER A . n +A 1 151 ALA 151 152 152 ALA ALA A . n +A 1 152 LYS 152 153 153 LYS LYS A . n +A 1 153 PRO 153 154 154 PRO PRO A . n +A 1 154 GLY 154 155 155 GLY GLY A . n +A 1 155 LEU 155 156 156 LEU LEU A . n +A 1 156 GLN 156 157 157 GLN GLN A . n +A 1 157 LYS 157 158 158 LYS LYS A . n +A 1 158 VAL 158 159 159 VAL VAL A . n +A 1 159 VAL 159 160 160 VAL VAL A . n +A 1 160 ASP 160 161 161 ASP ASP A . n +A 1 161 VAL 161 162 162 VAL VAL A . n +A 1 162 LEU 162 163 163 LEU LEU A . n +A 1 163 ASP 163 164 164 ASP ASP A . n +A 1 164 SER 164 165 165 SER SER A . n +A 1 165 ILE 165 166 166 ILE ILE A . n +A 1 166 LYS 166 167 167 LYS LYS A . n +A 1 167 THR 167 168 168 THR THR A . n +A 1 168 LYS 168 169 169 LYS LYS A . n +A 1 169 GLY 169 170 170 GLY GLY A . n +A 1 170 LYS 170 171 171 LYS LYS A . n +A 1 171 SER 171 172 172 SER SER A . n +A 1 172 ALA 172 173 173 ALA ALA A . n +A 1 173 ASP 173 174 174 ASP ASP A . n +A 1 174 PHE 174 175 175 PHE PHE A . n +A 1 175 THR 175 176 176 THR THR A . n +A 1 176 ASN 176 177 177 ASN ASN A . n +A 1 177 PHE 177 178 178 PHE PHE A . n +A 1 178 ASP 178 179 179 ASP ASP A . n +A 1 179 PRO 179 180 180 PRO PRO A . n +A 1 180 ARG 180 181 181 ARG ARG A . n +A 1 181 GLY 181 182 182 GLY GLY A . n +A 1 182 LEU 182 183 183 LEU LEU A . n +A 1 183 LEU 183 184 184 LEU LEU A . n +A 1 184 PRO 184 185 185 PRO PRO A . n +A 1 185 GLU 185 186 186 GLU GLU A . n +A 1 186 SER 186 187 187 SER SER A . n +A 1 187 LEU 187 188 188 LEU LEU A . n +A 1 188 ASP 188 189 189 ASP ASP A . n +A 1 189 TYR 189 190 190 TYR TYR A . n +A 1 190 TRP 190 191 191 TRP TRP A . n +A 1 191 THR 191 192 192 THR THR A . n +A 1 192 TYR 192 193 193 TYR TYR A . n +A 1 193 PRO 193 194 194 PRO PRO A . n +A 1 194 GLY 194 195 195 GLY GLY A . n +A 1 195 SER 195 196 196 SER SER A . n +A 1 196 LEU 196 197 197 LEU LEU A . n +A 1 197 THR 197 198 198 THR THR A . n +A 1 198 THR 198 199 199 THR THR A . n +A 1 199 PRO 199 200 200 PRO PRO A . n +A 1 200 PRO 200 201 201 PRO PRO A . n +A 1 201 LEU 201 202 202 LEU LEU A . n +A 1 202 LEU 202 203 203 LEU LEU A . n +A 1 203 GLU 203 204 204 GLU GLU A . n +A 1 204 CYS 204 205 205 CYS CYS A . n +A 1 205 VAL 205 206 206 VAL VAL A . n +A 1 206 THR 206 207 207 THR THR A . n +A 1 207 TRP 207 208 208 TRP TRP A . n +A 1 208 ILE 208 209 209 ILE ILE A . n +A 1 209 VAL 209 210 210 VAL VAL A . n +A 1 210 LEU 210 211 211 LEU LEU A . n +A 1 211 LYS 211 212 212 LYS LYS A . n +A 1 212 GLU 212 213 213 GLU GLU A . n +A 1 213 PRO 213 214 214 PRO PRO A . n +A 1 214 ILE 214 215 215 ILE ILE A . n +A 1 215 SER 215 216 216 SER SER A . n +A 1 216 VAL 216 217 217 VAL VAL A . n +A 1 217 SER 217 218 218 SER SER A . n +A 1 218 SER 218 219 219 SER SER A . n +A 1 219 GLU 219 220 220 GLU GLU A . n +A 1 220 GLN 220 221 221 GLN GLN A . n +A 1 221 VAL 221 222 222 VAL VAL A . n +A 1 222 LEU 222 223 223 LEU LEU A . n +A 1 223 LYS 223 224 224 LYS LYS A . n +A 1 224 PHE 224 225 225 PHE PHE A . n +A 1 225 ARG 225 226 226 ARG ARG A . n +A 1 226 LYS 226 227 227 LYS LYS A . n +A 1 227 LEU 227 228 ? ? ? A . n +A 1 228 ASN 228 229 ? ? ? A . n +A 1 229 PHE 229 230 ? ? ? A . n +A 1 230 ASN 230 231 ? ? ? A . n +A 1 231 GLY 231 232 ? ? ? A . n +A 1 232 GLU 232 233 ? ? ? A . n +A 1 233 GLY 233 234 ? ? ? A . n +A 1 234 GLU 234 235 ? ? ? A . n +A 1 235 PRO 235 236 ? ? ? A . n +A 1 236 GLU 236 237 ? ? ? A . n +A 1 237 GLU 237 238 ? ? ? A . n +A 1 238 LEU 238 239 ? ? ? A . n +A 1 239 MET 239 240 240 MET MET A . n +A 1 240 VAL 240 241 241 VAL VAL A . n +A 1 241 ASP 241 242 242 ASP ASP A . n +A 1 242 ASN 242 243 243 ASN ASN A . n +A 1 243 TRP 243 244 244 TRP TRP A . n +A 1 244 ARG 244 245 245 ARG ARG A . n +A 1 245 PRO 245 246 246 PRO PRO A . n +A 1 246 ALA 246 247 247 ALA ALA A . n +A 1 247 GLN 247 248 248 GLN GLN A . n +A 1 248 PRO 248 249 249 PRO PRO A . n +A 1 249 LEU 249 250 250 LEU LEU A . n +A 1 250 LYS 250 251 251 LYS LYS A . n +A 1 251 ASN 251 252 252 ASN ASN A . n +A 1 252 ARG 252 253 253 ARG ARG A . n +A 1 253 GLN 253 254 254 GLN GLN A . n +A 1 254 ILE 254 255 255 ILE ILE A . n +A 1 255 LYS 255 256 256 LYS LYS A . n +A 1 256 ALA 256 257 257 ALA ALA A . n +A 1 257 SER 257 258 258 SER SER A . n +A 1 258 PHE 258 259 259 PHE PHE A . n +A 1 259 LYS 259 260 260 LYS LYS A . n +B 2 1 4SO 1 301 312 4SO 6H0 B . n +B 2 2 A1IJ4 2 302 312 A1IJ4 6H0 B . n +B 2 3 QUJ 3 303 313 QUJ QUJ B . n +B 2 4 ZY9 4 304 314 ZY9 ZY9 B . n +B 2 5 QVS 5 305 315 QVS QVS B . n +B 2 6 QUK 6 306 316 QUK QUK B . n +B 2 7 ZY9 7 307 317 ZY9 ZY9 B . n +B 2 8 QVE 8 308 318 QVE QVE B . n +B 2 9 ZY9 9 309 319 ZY9 ZY9 B . n +B 2 10 ZY9 10 310 320 ZY9 ZY9 B . n +B 2 11 QVS 11 311 321 QVS QVS B . n +B 2 12 ZY9 12 312 322 ZY9 ZY9 B . n +B 2 13 QDD 13 313 323 QDD QDD B . n +B 2 14 ZY9 14 314 324 ZY9 ZY9 B . n +B 2 15 QVE 15 315 325 QVE QVE B . n +B 2 16 QUK 16 316 326 QUK QUK B . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +C 3 ZN 1 301 301 ZN ZN A . +D 4 HOH 1 401 14 HOH HOH A . +D 4 HOH 2 402 1 HOH HOH A . +D 4 HOH 3 403 5 HOH HOH A . +D 4 HOH 4 404 8 HOH HOH A . +E 4 HOH 1 401 10 HOH HOH B . +E 4 HOH 2 402 17 HOH HOH B . +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 A GLU 14 ? CG ? A GLU 13 CG +2 1 Y 1 A GLU 14 ? CD ? A GLU 13 CD +3 1 Y 1 A GLU 14 ? OE1 ? A GLU 13 OE1 +4 1 Y 1 A GLU 14 ? OE2 ? A GLU 13 OE2 +5 1 Y 1 A LYS 18 ? CG ? A LYS 17 CG +6 1 Y 1 A LYS 18 ? CD ? A LYS 17 CD +7 1 Y 1 A LYS 18 ? CE ? A LYS 17 CE +8 1 Y 1 A LYS 18 ? NZ ? A LYS 17 NZ +9 1 Y 1 A LYS 24 ? CG ? A LYS 23 CG +10 1 Y 1 A LYS 24 ? CD ? A LYS 23 CD +11 1 Y 1 A LYS 24 ? CE ? A LYS 23 CE +12 1 Y 1 A LYS 24 ? NZ ? A LYS 23 NZ +13 1 Y 1 A GLU 26 ? CD ? A GLU 25 CD +14 1 Y 1 A GLU 26 ? OE1 ? A GLU 25 OE1 +15 1 Y 1 A GLU 26 ? OE2 ? A GLU 25 OE2 +16 1 Y 1 A THR 37 ? OG1 ? A THR 36 OG1 +17 1 Y 1 A THR 37 ? CG2 ? A THR 36 CG2 +18 1 Y 1 A LYS 39 ? CD ? A LYS 38 CD +19 1 Y 1 A LYS 39 ? CE ? A LYS 38 CE +20 1 Y 1 A LYS 39 ? NZ ? A LYS 38 NZ +21 1 Y 1 A LYS 45 ? CG ? A LYS 44 CG +22 1 Y 1 A LYS 45 ? CD ? A LYS 44 CD +23 1 Y 1 A LYS 45 ? CE ? A LYS 44 CE +24 1 Y 1 A LYS 45 ? NZ ? A LYS 44 NZ +25 1 Y 1 A ARG 58 ? CG ? A ARG 57 CG +26 1 Y 1 A ARG 58 ? CD ? A ARG 57 CD +27 1 Y 1 A ARG 58 ? NE ? A ARG 57 NE +28 1 Y 1 A ARG 58 ? CZ ? A ARG 57 CZ +29 1 Y 1 A ARG 58 ? NH1 ? A ARG 57 NH1 +30 1 Y 1 A ARG 58 ? NH2 ? A ARG 57 NH2 +31 1 Y 1 A GLU 69 ? CD ? A GLU 68 CD +32 1 Y 1 A GLU 69 ? OE1 ? A GLU 68 OE1 +33 1 Y 1 A GLU 69 ? OE2 ? A GLU 68 OE2 +34 1 Y 1 A ASP 85 ? CG ? A ASP 84 CG +35 1 Y 1 A ASP 85 ? OD1 ? A ASP 84 OD1 +36 1 Y 1 A ASP 85 ? OD2 ? A ASP 84 OD2 +37 1 Y 1 A SER 99 ? OG ? A SER 98 OG +38 1 Y 1 A LEU 100 ? CG ? A LEU 99 CG +39 1 Y 1 A LEU 100 ? CD1 ? A LEU 99 CD1 +40 1 Y 1 A LEU 100 ? CD2 ? A LEU 99 CD2 +41 1 Y 1 A LYS 132 ? CD ? A LYS 131 CD +42 1 Y 1 A LYS 132 ? CE ? A LYS 131 CE +43 1 Y 1 A LYS 132 ? NZ ? A LYS 131 NZ +44 1 Y 1 A LYS 148 ? CG ? A LYS 147 CG +45 1 Y 1 A LYS 148 ? CD ? A LYS 147 CD +46 1 Y 1 A LYS 148 ? CE ? A LYS 147 CE +47 1 Y 1 A LYS 148 ? NZ ? A LYS 147 NZ +48 1 Y 1 A LEU 163 ? CG ? A LEU 162 CG +49 1 Y 1 A LEU 163 ? CD1 ? A LEU 162 CD1 +50 1 Y 1 A LEU 163 ? CD2 ? A LEU 162 CD2 +51 1 Y 1 A LYS 167 ? CG ? A LYS 166 CG +52 1 Y 1 A LYS 167 ? CD ? A LYS 166 CD +53 1 Y 1 A LYS 167 ? CE ? A LYS 166 CE +54 1 Y 1 A LYS 167 ? NZ ? A LYS 166 NZ +55 1 Y 1 A LYS 169 ? CG ? A LYS 168 CG +56 1 Y 1 A LYS 169 ? CD ? A LYS 168 CD +57 1 Y 1 A LYS 169 ? CE ? A LYS 168 CE +58 1 Y 1 A LYS 169 ? NZ ? A LYS 168 NZ +59 1 Y 1 A LYS 171 ? CG ? A LYS 170 CG +60 1 Y 1 A LYS 171 ? CD ? A LYS 170 CD +61 1 Y 1 A LYS 171 ? CE ? A LYS 170 CE +62 1 Y 1 A LYS 171 ? NZ ? A LYS 170 NZ +63 1 Y 1 A GLU 186 ? CD ? A GLU 185 CD +64 1 Y 1 A GLU 186 ? OE1 ? A GLU 185 OE1 +65 1 Y 1 A GLU 186 ? OE2 ? A GLU 185 OE2 +66 1 Y 1 A LYS 212 ? CG ? A LYS 211 CG +67 1 Y 1 A LYS 212 ? CD ? A LYS 211 CD +68 1 Y 1 A LYS 212 ? CE ? A LYS 211 CE +69 1 Y 1 A LYS 212 ? NZ ? A LYS 211 NZ +70 1 Y 1 A SER 216 ? OG ? A SER 215 OG +71 1 Y 1 A VAL 217 ? CG1 ? A VAL 216 CG1 +72 1 Y 1 A VAL 217 ? CG2 ? A VAL 216 CG2 +73 1 Y 1 A SER 219 ? OG ? A SER 218 OG +74 1 Y 1 A GLU 220 ? CG ? A GLU 219 CG +75 1 Y 1 A GLU 220 ? CD ? A GLU 219 CD +76 1 Y 1 A GLU 220 ? OE1 ? A GLU 219 OE1 +77 1 Y 1 A GLU 220 ? OE2 ? A GLU 219 OE2 +78 1 Y 1 A LEU 223 ? CG ? A LEU 222 CG +79 1 Y 1 A LEU 223 ? CD1 ? A LEU 222 CD1 +80 1 Y 1 A LEU 223 ? CD2 ? A LEU 222 CD2 +81 1 Y 1 A LYS 224 ? CD ? A LYS 223 CD +82 1 Y 1 A LYS 224 ? CE ? A LYS 223 CE +83 1 Y 1 A LYS 224 ? NZ ? A LYS 223 NZ +84 1 Y 1 A PHE 225 ? CG ? A PHE 224 CG +85 1 Y 1 A PHE 225 ? CD1 ? A PHE 224 CD1 +86 1 Y 1 A PHE 225 ? CD2 ? A PHE 224 CD2 +87 1 Y 1 A PHE 225 ? CE1 ? A PHE 224 CE1 +88 1 Y 1 A PHE 225 ? CE2 ? A PHE 224 CE2 +89 1 Y 1 A PHE 225 ? CZ ? A PHE 224 CZ +90 1 Y 1 A LYS 227 ? CG ? A LYS 226 CG +91 1 Y 1 A LYS 227 ? CD ? A LYS 226 CD +92 1 Y 1 A LYS 227 ? CE ? A LYS 226 CE +93 1 Y 1 A LYS 227 ? NZ ? A LYS 226 NZ +94 1 Y 1 A VAL 241 ? CG1 ? A VAL 240 CG1 +95 1 Y 1 A VAL 241 ? CG2 ? A VAL 240 CG2 +96 1 Y 1 A ASP 242 ? CG ? A ASP 241 CG +97 1 Y 1 A ASP 242 ? OD1 ? A ASP 241 OD1 +98 1 Y 1 A ASP 242 ? OD2 ? A ASP 241 OD2 +99 1 Y 1 A ASN 252 ? CG ? A ASN 251 CG +100 1 Y 1 A ASN 252 ? OD1 ? A ASN 251 OD1 +101 1 Y 1 A ASN 252 ? ND2 ? A ASN 251 ND2 +102 1 Y 1 A LYS 260 ? CG ? A LYS 259 CG +103 1 Y 1 A LYS 260 ? CD ? A LYS 259 CD +104 1 Y 1 A LYS 260 ? CE ? A LYS 259 CE +105 1 Y 1 A LYS 260 ? NZ ? A LYS 259 NZ +# +loop_ +_software.citation_id +_software.classification +_software.compiler_name +_software.compiler_version +_software.contact_author +_software.contact_author_email +_software.date +_software.description +_software.dependencies +_software.hardware +_software.language +_software.location +_software.mods +_software.name +_software.os +_software.os_version +_software.type +_software.version +_software.pdbx_ordinal +? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0238 1 +? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? 'VERSION Nov 11, 2017 BUILT=20171111' 2 +? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? 'VERSION Nov 11, 2017 BUILT=20171111' 3 +? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? 2.7.17 4 +# +_cell.angle_alpha 90.00 +_cell.angle_alpha_esd ? +_cell.angle_beta 90.00 +_cell.angle_beta_esd ? +_cell.angle_gamma 90.00 +_cell.angle_gamma_esd ? +_cell.entry_id 6Q9T +_cell.details ? +_cell.formula_units_Z ? +_cell.length_a 79.300 +_cell.length_a_esd ? +_cell.length_b 80.960 +_cell.length_b_esd ? +_cell.length_c 45.620 +_cell.length_c_esd ? +_cell.volume ? +_cell.volume_esd ? +_cell.Z_PDB 4 +_cell.reciprocal_angle_alpha ? +_cell.reciprocal_angle_beta ? +_cell.reciprocal_angle_gamma ? +_cell.reciprocal_angle_alpha_esd ? +_cell.reciprocal_angle_beta_esd ? +_cell.reciprocal_angle_gamma_esd ? +_cell.reciprocal_length_a ? +_cell.reciprocal_length_b ? +_cell.reciprocal_length_c ? +_cell.reciprocal_length_a_esd ? +_cell.reciprocal_length_b_esd ? +_cell.reciprocal_length_c_esd ? +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 6Q9T +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 18 +_symmetry.space_group_name_Hall ? +_symmetry.space_group_name_H-M 'P 21 21 2' +_symmetry.pdbx_full_space_group_name_H-M ? +# +_exptl.absorpt_coefficient_mu ? +_exptl.absorpt_correction_T_max ? +_exptl.absorpt_correction_T_min ? +_exptl.absorpt_correction_type ? +_exptl.absorpt_process_details ? +_exptl.entry_id 6Q9T +_exptl.crystals_number 1 +_exptl.details ? +_exptl.method 'X-RAY DIFFRACTION' +_exptl.method_details ? +# +_exptl_crystal.colour ? +_exptl_crystal.density_diffrn ? +_exptl_crystal.density_Matthews 2.52 +_exptl_crystal.density_method ? +_exptl_crystal.density_percent_sol 51 +_exptl_crystal.description parallelogram +_exptl_crystal.F_000 ? +_exptl_crystal.id 1 +_exptl_crystal.preparation ? +_exptl_crystal.size_max ? +_exptl_crystal.size_mid ? +_exptl_crystal.size_min ? +_exptl_crystal.size_rad ? +_exptl_crystal.colour_lustre ? +_exptl_crystal.colour_modifier ? +_exptl_crystal.colour_primary ? +_exptl_crystal.density_meas ? +_exptl_crystal.density_meas_esd ? +_exptl_crystal.density_meas_gt ? +_exptl_crystal.density_meas_lt ? +_exptl_crystal.density_meas_temp ? +_exptl_crystal.density_meas_temp_esd ? +_exptl_crystal.density_meas_temp_gt ? +_exptl_crystal.density_meas_temp_lt ? +_exptl_crystal.pdbx_crystal_image_url ? +_exptl_crystal.pdbx_crystal_image_format ? +_exptl_crystal.pdbx_mosaicity ? +_exptl_crystal.pdbx_mosaicity_esd ? +# +_exptl_crystal_grow.apparatus ? +_exptl_crystal_grow.atmosphere ? +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.details ? +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.method_ref ? +_exptl_crystal_grow.pH 5.7 +_exptl_crystal_grow.pressure ? +_exptl_crystal_grow.pressure_esd ? +_exptl_crystal_grow.seeding ? +_exptl_crystal_grow.seeding_ref ? +_exptl_crystal_grow.temp 293 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.temp_esd ? +_exptl_crystal_grow.time ? +_exptl_crystal_grow.pdbx_details 'Ammonium sulfate 0.2 M, Sodium acetate 0.1 M pH 5.7, PEG 4000 14%, Sodium azide 3 mM' +_exptl_crystal_grow.pdbx_pH_range ? +# +_diffrn.ambient_environment ? +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.ambient_temp_esd ? +_diffrn.crystal_id 1 +_diffrn.crystal_support ? +_diffrn.crystal_treatment ? +_diffrn.details ? +_diffrn.id 1 +_diffrn.ambient_pressure ? +_diffrn.ambient_pressure_esd ? +_diffrn.ambient_pressure_gt ? +_diffrn.ambient_pressure_lt ? +_diffrn.ambient_temp_gt ? +_diffrn.ambient_temp_lt ? +_diffrn.pdbx_serial_crystal_experiment N +# +_diffrn_detector.details +'CRYOGENICALLY COOLED CHANNEL CUT CRYSTAL MONOCHROMATOR, CONVEX PREFOCUSSING MIRROR AND A KIRKPATRICK-BAEZ PAIR OF FOCUSSING MIRRORS' +_diffrn_detector.detector PIXEL +_diffrn_detector.diffrn_id 1 +_diffrn_detector.type 'DECTRIS EIGER X 9M' +_diffrn_detector.area_resol_mean ? +_diffrn_detector.dtime ? +_diffrn_detector.pdbx_frames_total ? +_diffrn_detector.pdbx_collection_time_total ? +_diffrn_detector.pdbx_collection_date 2018-02-16 +_diffrn_detector.pdbx_frequency ? +# +_diffrn_radiation.collimation ? +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.filter_edge ? +_diffrn_radiation.inhomogeneity ? +_diffrn_radiation.monochromator 'CHANNEL CUT CRYOGENICALLY COOLED MONOCHROMATOR CRYSTAL' +_diffrn_radiation.polarisn_norm ? +_diffrn_radiation.polarisn_ratio ? +_diffrn_radiation.probe ? +_diffrn_radiation.type ? +_diffrn_radiation.xray_symbol ? +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_wavelength_list ? +_diffrn_radiation.pdbx_wavelength ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_analyzer ? +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.980112 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.current ? +_diffrn_source.details ? +_diffrn_source.diffrn_id 1 +_diffrn_source.power ? +_diffrn_source.size ? +_diffrn_source.source SYNCHROTRON +_diffrn_source.target ? +_diffrn_source.type 'SOLEIL BEAMLINE PROXIMA 2' +_diffrn_source.voltage ? +_diffrn_source.take-off_angle ? +_diffrn_source.pdbx_wavelength_list 0.980112 +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_synchrotron_beamline 'PROXIMA 2' +_diffrn_source.pdbx_synchrotron_site SOLEIL +# +_reflns.B_iso_Wilson_estimate 72.25 +_reflns.entry_id 6Q9T +_reflns.data_reduction_details ? +_reflns.data_reduction_method ? +_reflns.d_resolution_high 2.68 +_reflns.d_resolution_low 45.62 +_reflns.details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.number_all ? +_reflns.number_obs 8622 +_reflns.observed_criterion ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.observed_criterion_I_max ? +_reflns.observed_criterion_I_min ? +_reflns.observed_criterion_sigma_F ? +_reflns.observed_criterion_sigma_I ? +_reflns.percent_possible_obs 98.6 +_reflns.R_free_details ? +_reflns.Rmerge_F_all ? +_reflns.Rmerge_F_obs ? +_reflns.Friedel_coverage ? +_reflns.number_gt ? +_reflns.threshold_expression ? +_reflns.pdbx_redundancy 12.8 +_reflns.pdbx_Rmerge_I_obs ? +_reflns.pdbx_Rmerge_I_all ? +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_av_sigmaI ? +_reflns.pdbx_netI_over_sigmaI 17.96 +_reflns.pdbx_res_netI_over_av_sigmaI_2 ? +_reflns.pdbx_res_netI_over_sigmaI_2 ? +_reflns.pdbx_chi_squared ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_d_res_high_opt ? +_reflns.pdbx_d_res_low_opt ? +_reflns.pdbx_d_res_opt_method ? +_reflns.phase_calculation_details ? +_reflns.pdbx_Rrim_I_all 0.099 +_reflns.pdbx_Rpim_I_all ? +_reflns.pdbx_d_opt ? +_reflns.pdbx_number_measured_all ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.pdbx_CC_half 0.998 +_reflns.pdbx_R_split ? +_reflns.pdbx_CC_star ? +# +_reflns_shell.d_res_high 2.68 +_reflns_shell.d_res_low 2.84 +_reflns_shell.meanI_over_sigI_all ? +_reflns_shell.meanI_over_sigI_obs 2.02 +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.number_possible ? +_reflns_shell.number_unique_all ? +_reflns_shell.number_unique_obs 1262 +_reflns_shell.percent_possible_all 91.3 +_reflns_shell.percent_possible_obs ? +_reflns_shell.Rmerge_F_all ? +_reflns_shell.Rmerge_F_obs ? +_reflns_shell.Rmerge_I_all ? +_reflns_shell.Rmerge_I_obs ? +_reflns_shell.meanI_over_sigI_gt ? +_reflns_shell.meanI_over_uI_all ? +_reflns_shell.meanI_over_uI_gt ? +_reflns_shell.number_measured_gt ? +_reflns_shell.number_unique_gt ? +_reflns_shell.percent_possible_gt ? +_reflns_shell.Rmerge_F_gt ? +_reflns_shell.Rmerge_I_gt ? +_reflns_shell.pdbx_redundancy 12.64 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.pdbx_chi_squared ? +_reflns_shell.pdbx_netI_over_sigmaI_all ? +_reflns_shell.pdbx_netI_over_sigmaI_obs ? +_reflns_shell.pdbx_Rrim_I_all 0.99 +_reflns_shell.pdbx_Rpim_I_all ? +_reflns_shell.pdbx_rejects ? +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +_reflns_shell.pdbx_CC_half 0.859 +_reflns_shell.pdbx_R_split ? +_reflns_shell.pdbx_CC_star ? +# +_refine.aniso_B[1][1] -4.59 +_refine.aniso_B[1][2] -0.00 +_refine.aniso_B[1][3] -0.00 +_refine.aniso_B[2][2] -7.11 +_refine.aniso_B[2][3] 0.00 +_refine.aniso_B[3][3] 11.70 +_refine.B_iso_max ? +_refine.B_iso_mean 69.834 +_refine.B_iso_min ? +_refine.correlation_coeff_Fo_to_Fc 0.939 +_refine.correlation_coeff_Fo_to_Fc_free 0.932 +_refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' +_refine.diff_density_max ? +_refine.diff_density_max_esd ? +_refine.diff_density_min ? +_refine.diff_density_min_esd ? +_refine.diff_density_rms ? +_refine.diff_density_rms_esd ? +_refine.entry_id 6Q9T +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.ls_abs_structure_details ? +_refine.ls_abs_structure_Flack ? +_refine.ls_abs_structure_Flack_esd ? +_refine.ls_abs_structure_Rogers ? +_refine.ls_abs_structure_Rogers_esd ? +_refine.ls_d_res_high 2.68 +_refine.ls_d_res_low 45.62 +_refine.ls_extinction_coef ? +_refine.ls_extinction_coef_esd ? +_refine.ls_extinction_expression ? +_refine.ls_extinction_method ? +_refine.ls_goodness_of_fit_all ? +_refine.ls_goodness_of_fit_all_esd ? +_refine.ls_goodness_of_fit_obs ? +_refine.ls_goodness_of_fit_obs_esd ? +_refine.ls_hydrogen_treatment ? +_refine.ls_matrix_type ? +_refine.ls_number_constraints ? +_refine.ls_number_parameters ? +_refine.ls_number_reflns_all ? +_refine.ls_number_reflns_obs 8189 +_refine.ls_number_reflns_R_free 431 +_refine.ls_number_reflns_R_work ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_obs 98.51 +_refine.ls_percent_reflns_R_free 5.0 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_obs 0.21732 +_refine.ls_R_factor_R_free 0.26025 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_R_factor_R_work 0.21480 +_refine.ls_R_Fsqd_factor_obs ? +_refine.ls_R_I_factor_obs ? +_refine.ls_redundancy_reflns_all ? +_refine.ls_redundancy_reflns_obs ? +_refine.ls_restrained_S_all ? +_refine.ls_restrained_S_obs ? +_refine.ls_shift_over_esd_max ? +_refine.ls_shift_over_esd_mean ? +_refine.ls_structure_factor_coef ? +_refine.ls_weighting_details ? +_refine.ls_weighting_scheme ? +_refine.ls_wR_factor_all ? +_refine.ls_wR_factor_obs ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.solvent_model_details MASK +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.ls_R_factor_gt ? +_refine.ls_goodness_of_fit_gt ? +_refine.ls_goodness_of_fit_ref ? +_refine.ls_shift_over_su_max ? +_refine.ls_shift_over_su_max_lt ? +_refine.ls_shift_over_su_mean ? +_refine.ls_shift_over_su_mean_lt ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F ? +_refine.pdbx_ls_sigma_Fsqd ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_starting_model 3KS3 +_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_overall_ESU_R 2.129 +_refine.pdbx_overall_ESU_R_Free 0.353 +_refine.pdbx_solvent_vdw_probe_radii 1.20 +_refine.pdbx_solvent_ion_probe_radii 0.80 +_refine.pdbx_solvent_shrinkage_radii 0.80 +_refine.pdbx_real_space_R ? +_refine.pdbx_density_correlation ? +_refine.pdbx_pd_number_of_powder_patterns ? +_refine.pdbx_pd_number_of_points ? +_refine.pdbx_pd_meas_number_of_points ? +_refine.pdbx_pd_proc_ls_prof_R_factor ? +_refine.pdbx_pd_proc_ls_prof_wR_factor ? +_refine.pdbx_pd_Marquardt_correlation_coeff ? +_refine.pdbx_pd_Fsqrd_R_factor ? +_refine.pdbx_pd_ls_matrix_band_width ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_diffrn_id 1 +_refine.overall_SU_B 46.885 +_refine.overall_SU_ML 0.400 +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_average_fsc_overall ? +_refine.pdbx_average_fsc_work ? +_refine.pdbx_average_fsc_free ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id 1 +_refine_hist.pdbx_number_atoms_protein 1778 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 225 +_refine_hist.number_atoms_solvent 6 +_refine_hist.number_atoms_total 2009 +_refine_hist.d_res_high 2.68 +_refine_hist.d_res_low 45.62 +# +loop_ +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.criterion +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.rejects +_refine_ls_restr.type +_refine_ls_restr.weight +_refine_ls_restr.pdbx_restraint_function +'X-RAY DIFFRACTION' ? 0.013 0.014 2080 ? r_bond_refined_d ? ? +'X-RAY DIFFRACTION' ? 0.008 0.018 1721 ? r_bond_other_d ? ? +'X-RAY DIFFRACTION' ? 2.009 1.784 2858 ? r_angle_refined_deg ? ? +'X-RAY DIFFRACTION' ? 1.551 1.697 3953 ? r_angle_other_deg ? ? +'X-RAY DIFFRACTION' ? 9.292 5.000 235 ? r_dihedral_angle_1_deg ? ? +'X-RAY DIFFRACTION' ? 34.409 23.171 82 ? r_dihedral_angle_2_deg ? ? +'X-RAY DIFFRACTION' ? 18.245 15.000 253 ? r_dihedral_angle_3_deg ? ? +'X-RAY DIFFRACTION' ? 19.909 15.000 6 ? r_dihedral_angle_4_deg ? ? +'X-RAY DIFFRACTION' ? 0.069 0.200 240 ? r_chiral_restr ? ? +'X-RAY DIFFRACTION' ? 0.011 0.020 2447 ? r_gen_planes_refined ? ? +'X-RAY DIFFRACTION' ? 0.007 0.020 456 ? r_gen_planes_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_refined ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_refined ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_refined ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_refined ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_refined ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_refined ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_refined ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_other ? ? +'X-RAY DIFFRACTION' ? 2.631 5.164 971 ? r_mcbond_it ? ? +'X-RAY DIFFRACTION' ? 2.653 5.207 945 ? r_mcbond_other ? ? +'X-RAY DIFFRACTION' ? 4.421 7.774 1192 ? r_mcangle_it ? ? +'X-RAY DIFFRACTION' ? 4.434 7.804 1180 ? r_mcangle_other ? ? +'X-RAY DIFFRACTION' ? 2.293 4.899 1105 ? r_scbond_it ? ? +'X-RAY DIFFRACTION' ? 2.292 4.898 1106 ? r_scbond_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? +'X-RAY DIFFRACTION' ? 3.756 7.282 1666 ? r_scangle_other ? ? +'X-RAY DIFFRACTION' ? 6.087 54.629 2546 ? r_long_range_B_refined ? ? +'X-RAY DIFFRACTION' ? 6.086 54.618 2547 ? r_long_range_B_other ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_rigid_bond_restr ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_free ? ? +'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_bonded ? ? +# +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_ls_shell.d_res_high 2.676 +_refine_ls_shell.d_res_low 2.745 +_refine_ls_shell.number_reflns_all ? +_refine_ls_shell.number_reflns_obs ? +_refine_ls_shell.number_reflns_R_free 25 +_refine_ls_shell.number_reflns_R_work 485 +_refine_ls_shell.percent_reflns_obs 80.44 +_refine_ls_shell.percent_reflns_R_free ? +_refine_ls_shell.R_factor_all ? +_refine_ls_shell.R_factor_obs ? +_refine_ls_shell.R_factor_R_free 0.725 +_refine_ls_shell.R_factor_R_free_error ? +_refine_ls_shell.R_factor_R_work 0.545 +_refine_ls_shell.redundancy_reflns_all ? +_refine_ls_shell.redundancy_reflns_obs ? +_refine_ls_shell.wR_factor_all ? +_refine_ls_shell.wR_factor_obs ? +_refine_ls_shell.wR_factor_R_free ? +_refine_ls_shell.wR_factor_R_work ? +_refine_ls_shell.pdbx_total_number_of_bins_used 20 +_refine_ls_shell.pdbx_phase_error ? +_refine_ls_shell.pdbx_fsc_work ? +_refine_ls_shell.pdbx_fsc_free ? +# +_struct.entry_id 6Q9T +_struct.title 'Protein-aromatic foldamer complex crystal structure' +_struct.pdbx_model_details ? +_struct.pdbx_formula_weight ? +_struct.pdbx_formula_weight_method ? +_struct.pdbx_model_type_details ? +_struct.pdbx_CASP_flag N +# +_struct_keywords.entry_id 6Q9T +_struct_keywords.text +;Protein-Foldamer Complex, Protein-Foldamer interactions, Modified Inhibitor, Anchored Foldamer, Quinoline Oligoamide Foldamer, Benzene Sulfonamide modified inhibitor, Lyase-lyase inhibitor complex, lyase +; +_struct_keywords.pdbx_keywords LYASE +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +D N N 4 ? +E N N 4 ? +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_db_isoform +_struct_ref.entity_id +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_align_begin +1 UNP CAH2_HUMAN P00918 ? 1 +;SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKG +GPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVD +VLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMV +DNWRPAQPLKNRQIKASFK +; +2 +2 PDB 6Q9T 6Q9T ? 2 ? 1 +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 6Q9T A 1 ? 259 ? P00918 2 ? 260 ? 2 260 +2 2 6Q9T B 1 ? 16 ? 6Q9T 301 ? 316 ? 301 316 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E +# +_pdbx_struct_assembly_auth_evidence.id 1 +_pdbx_struct_assembly_auth_evidence.assembly_id 1 +_pdbx_struct_assembly_auth_evidence.experimental_support none +_pdbx_struct_assembly_auth_evidence.details ? +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 AA1 GLY A 11 ? TRP A 15 ? GLY A 12 TRP A 16 5 ? 5 +HELX_P HELX_P2 AA2 PHE A 19 ? GLY A 24 ? PHE A 20 GLY A 25 5 ? 6 +HELX_P HELX_P3 AA3 LYS A 125 ? GLY A 127 ? LYS A 126 GLY A 128 5 ? 3 +HELX_P HELX_P4 AA4 ASP A 128 ? VAL A 133 ? ASP A 129 VAL A 134 1 ? 6 +HELX_P HELX_P5 AA5 LYS A 152 ? ASP A 160 ? LYS A 153 ASP A 161 1 ? 9 +HELX_P HELX_P6 AA6 VAL A 161 ? LYS A 166 ? VAL A 162 LYS A 167 5 ? 6 +HELX_P HELX_P7 AA7 ASP A 178 ? LEU A 183 ? ASP A 179 LEU A 184 5 ? 6 +HELX_P HELX_P8 AA8 SER A 217 ? LEU A 222 ? SER A 218 LEU A 223 1 ? 6 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +covale1 covale both ? B 4SO 1 CAH ? ? ? 1_555 B A1IJ4 2 N ? ? B 4SO 301 B A1IJ4 302 1_555 ? ? ? ? ? ? ? 1.339 ? ? +covale2 covale both ? B A1IJ4 2 C ? ? ? 1_555 B QUJ 3 N ? ? B A1IJ4 302 B QUJ 303 1_555 ? ? ? ? ? ? ? 1.345 ? ? +covale3 covale both ? B QUJ 3 C ? ? ? 1_555 B ZY9 4 N ? ? B QUJ 303 B ZY9 304 1_555 ? ? ? ? ? ? ? 1.340 ? ? +covale4 covale both ? B ZY9 4 C ? ? ? 1_555 B QVS 5 N ? ? B ZY9 304 B QVS 305 1_555 ? ? ? ? ? ? ? 1.357 ? ? +covale5 covale both ? B QVS 5 C ? ? ? 1_555 B QUK 6 N ? ? B QVS 305 B QUK 306 1_555 ? ? ? ? ? ? ? 1.366 ? ? +covale6 covale both ? B QUK 6 C ? ? ? 1_555 B ZY9 7 N ? ? B QUK 306 B ZY9 307 1_555 ? ? ? ? ? ? ? 1.356 ? ? +covale7 covale both ? B ZY9 7 C ? ? ? 1_555 B QVE 8 N ? ? B ZY9 307 B QVE 308 1_555 ? ? ? ? ? ? ? 1.396 ? ? +covale8 covale both ? B QVE 8 C ? ? ? 1_555 B ZY9 9 N ? ? B QVE 308 B ZY9 309 1_555 ? ? ? ? ? ? ? 1.385 ? ? +covale9 covale both ? B ZY9 9 C ? ? ? 1_555 B ZY9 10 N ? ? B ZY9 309 B ZY9 310 1_555 ? ? ? ? ? ? ? 1.360 ? ? +covale10 covale both ? B ZY9 10 C ? ? ? 1_555 B QVS 11 N ? ? B ZY9 310 B QVS 311 1_555 ? ? ? ? ? ? ? 1.347 ? ? +covale11 covale both ? B QVS 11 C ? ? ? 1_555 B ZY9 12 N ? ? B QVS 311 B ZY9 312 1_555 ? ? ? ? ? ? ? 1.340 ? ? +covale12 covale both ? B ZY9 12 C ? ? ? 1_555 B QDD 13 N ? ? B ZY9 312 B QDD 313 1_555 ? ? ? ? ? ? ? 1.364 ? ? +covale13 covale both ? B QDD 13 C ? ? ? 1_555 B ZY9 14 N ? ? B QDD 313 B ZY9 314 1_555 ? ? ? ? ? ? ? 1.325 ? ? +covale14 covale both ? B ZY9 14 C ? ? ? 1_555 B QVE 15 N ? ? B ZY9 314 B QVE 315 1_555 ? ? ? ? ? ? ? 1.358 ? ? +covale15 covale both ? B QVE 15 C ? ? ? 1_555 B QUK 16 N ? ? B QVE 315 B QUK 316 1_555 ? ? ? ? ? ? ? 1.348 ? ? +metalc1 metalc ? ? A HIS 93 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 94 A ZN 301 1_555 ? ? ? ? ? ? ? 2.211 ? ? +metalc2 metalc ? ? A HIS 95 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 96 A ZN 301 1_555 ? ? ? ? ? ? ? 2.090 ? ? +metalc3 metalc ? ? A HIS 118 ND1 ? ? ? 1_555 C ZN . ZN ? ? A HIS 119 A ZN 301 1_555 ? ? ? ? ? ? ? 2.136 ? ? +metalc4 metalc ? ? C ZN . ZN ? ? ? 1_555 B 4SO 1 NAG ? ? A ZN 301 B 4SO 301 1_555 ? ? ? ? ? ? ? 2.109 ? ? +# +loop_ +_struct_conn_type.id +_struct_conn_type.criteria +_struct_conn_type.reference +covale ? ? +metalc ? ? +# +loop_ +_pdbx_struct_conn_angle.id +_pdbx_struct_conn_angle.ptnr1_label_atom_id +_pdbx_struct_conn_angle.ptnr1_label_alt_id +_pdbx_struct_conn_angle.ptnr1_label_asym_id +_pdbx_struct_conn_angle.ptnr1_label_comp_id +_pdbx_struct_conn_angle.ptnr1_label_seq_id +_pdbx_struct_conn_angle.ptnr1_auth_atom_id +_pdbx_struct_conn_angle.ptnr1_auth_asym_id +_pdbx_struct_conn_angle.ptnr1_auth_comp_id +_pdbx_struct_conn_angle.ptnr1_auth_seq_id +_pdbx_struct_conn_angle.ptnr1_PDB_ins_code +_pdbx_struct_conn_angle.ptnr1_symmetry +_pdbx_struct_conn_angle.ptnr2_label_atom_id +_pdbx_struct_conn_angle.ptnr2_label_alt_id +_pdbx_struct_conn_angle.ptnr2_label_asym_id +_pdbx_struct_conn_angle.ptnr2_label_comp_id +_pdbx_struct_conn_angle.ptnr2_label_seq_id +_pdbx_struct_conn_angle.ptnr2_auth_atom_id +_pdbx_struct_conn_angle.ptnr2_auth_asym_id +_pdbx_struct_conn_angle.ptnr2_auth_comp_id +_pdbx_struct_conn_angle.ptnr2_auth_seq_id +_pdbx_struct_conn_angle.ptnr2_PDB_ins_code +_pdbx_struct_conn_angle.ptnr2_symmetry +_pdbx_struct_conn_angle.ptnr3_label_atom_id +_pdbx_struct_conn_angle.ptnr3_label_alt_id +_pdbx_struct_conn_angle.ptnr3_label_asym_id +_pdbx_struct_conn_angle.ptnr3_label_comp_id +_pdbx_struct_conn_angle.ptnr3_label_seq_id +_pdbx_struct_conn_angle.ptnr3_auth_atom_id +_pdbx_struct_conn_angle.ptnr3_auth_asym_id +_pdbx_struct_conn_angle.ptnr3_auth_comp_id +_pdbx_struct_conn_angle.ptnr3_auth_seq_id +_pdbx_struct_conn_angle.ptnr3_PDB_ins_code +_pdbx_struct_conn_angle.ptnr3_symmetry +_pdbx_struct_conn_angle.value +_pdbx_struct_conn_angle.value_esd +1 NE2 ? A HIS 93 ? A HIS 94 ? 1_555 ZN ? C ZN . ? A ZN 301 ? 1_555 NE2 ? A HIS 95 ? A HIS 96 ? 1_555 103.3 ? +2 NE2 ? A HIS 93 ? A HIS 94 ? 1_555 ZN ? C ZN . ? A ZN 301 ? 1_555 ND1 ? A HIS 118 ? A HIS 119 ? 1_555 136.6 ? +3 NE2 ? A HIS 95 ? A HIS 96 ? 1_555 ZN ? C ZN . ? A ZN 301 ? 1_555 ND1 ? A HIS 118 ? A HIS 119 ? 1_555 98.5 ? +4 NE2 ? A HIS 93 ? A HIS 94 ? 1_555 ZN ? C ZN . ? A ZN 301 ? 1_555 NAG ? B 4SO 1 ? B 4SO 301 ? 1_555 95.6 ? +5 NE2 ? A HIS 95 ? A HIS 96 ? 1_555 ZN ? C ZN . ? A ZN 301 ? 1_555 NAG ? B 4SO 1 ? B 4SO 301 ? 1_555 111.4 ? +6 ND1 ? A HIS 118 ? A HIS 119 ? 1_555 ZN ? C ZN . ? A ZN 301 ? 1_555 NAG ? B 4SO 1 ? B 4SO 301 ? 1_555 110.7 ? +# +loop_ +_pdbx_modification_feature.ordinal +_pdbx_modification_feature.label_comp_id +_pdbx_modification_feature.label_asym_id +_pdbx_modification_feature.label_seq_id +_pdbx_modification_feature.label_alt_id +_pdbx_modification_feature.modified_residue_label_comp_id +_pdbx_modification_feature.modified_residue_label_asym_id +_pdbx_modification_feature.modified_residue_label_seq_id +_pdbx_modification_feature.modified_residue_label_alt_id +_pdbx_modification_feature.auth_comp_id +_pdbx_modification_feature.auth_asym_id +_pdbx_modification_feature.auth_seq_id +_pdbx_modification_feature.PDB_ins_code +_pdbx_modification_feature.symmetry +_pdbx_modification_feature.modified_residue_auth_comp_id +_pdbx_modification_feature.modified_residue_auth_asym_id +_pdbx_modification_feature.modified_residue_auth_seq_id +_pdbx_modification_feature.modified_residue_PDB_ins_code +_pdbx_modification_feature.modified_residue_symmetry +_pdbx_modification_feature.comp_id_linking_atom +_pdbx_modification_feature.modified_residue_id_linking_atom +_pdbx_modification_feature.modified_residue_id +_pdbx_modification_feature.ref_pcm_id +_pdbx_modification_feature.ref_comp_id +_pdbx_modification_feature.type +_pdbx_modification_feature.category +1 4SO B 1 ? . . . . 4SO B 301 ? 1_555 . . . . . . . ? 1 4SO None 'Non-standard residue' +2 A1IJ4 B 2 ? . . . . A1IJ4 B 302 ? 1_555 . . . . . . . ? 1 A1IJ4 None 'Non-standard residue' +3 QUJ B 3 ? . . . . QUJ B 303 ? 1_555 . . . . . . . ? 1 QUJ None 'Non-standard residue' +4 ZY9 B 4 ? . . . . ZY9 B 304 ? 1_555 . . . . . . . ? 1 ZY9 None 'Non-standard residue' +5 QVS B 5 ? . . . . QVS B 305 ? 1_555 . . . . . . . ? 1 QVS None 'Non-standard residue' +6 QUK B 6 ? . . . . QUK B 306 ? 1_555 . . . . . . . ? 1 QUK None 'Non-standard residue' +7 ZY9 B 7 ? . . . . ZY9 B 307 ? 1_555 . . . . . . . ? 1 ZY9 None 'Non-standard residue' +8 QVE B 8 ? . . . . QVE B 308 ? 1_555 . . . . . . . ? 1 QVE None 'Non-standard residue' +9 ZY9 B 9 ? . . . . ZY9 B 309 ? 1_555 . . . . . . . ? 1 ZY9 None 'Non-standard residue' +10 ZY9 B 10 ? . . . . ZY9 B 310 ? 1_555 . . . . . . . ? 1 ZY9 None 'Non-standard residue' +11 QVS B 11 ? . . . . QVS B 311 ? 1_555 . . . . . . . ? 1 QVS None 'Non-standard residue' +12 ZY9 B 12 ? . . . . ZY9 B 312 ? 1_555 . . . . . . . ? 1 ZY9 None 'Non-standard residue' +13 QDD B 13 ? . . . . QDD B 313 ? 1_555 . . . . . . . ? 1 QDD None 'Non-standard residue' +14 ZY9 B 14 ? . . . . ZY9 B 314 ? 1_555 . . . . . . . ? 1 ZY9 None 'Non-standard residue' +15 QVE B 15 ? . . . . QVE B 315 ? 1_555 . . . . . . . ? 1 QVE None 'Non-standard residue' +16 QUK B 16 ? . . . . QUK B 316 ? 1_555 . . . . . . . ? 1 QUK None 'Non-standard residue' +# +loop_ +_struct_mon_prot_cis.pdbx_id +_struct_mon_prot_cis.label_comp_id +_struct_mon_prot_cis.label_seq_id +_struct_mon_prot_cis.label_asym_id +_struct_mon_prot_cis.label_alt_id +_struct_mon_prot_cis.pdbx_PDB_ins_code +_struct_mon_prot_cis.auth_comp_id +_struct_mon_prot_cis.auth_seq_id +_struct_mon_prot_cis.auth_asym_id +_struct_mon_prot_cis.pdbx_label_comp_id_2 +_struct_mon_prot_cis.pdbx_label_seq_id_2 +_struct_mon_prot_cis.pdbx_label_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 +_struct_mon_prot_cis.pdbx_auth_comp_id_2 +_struct_mon_prot_cis.pdbx_auth_seq_id_2 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_model_num +_struct_mon_prot_cis.pdbx_omega_angle +1 SER 28 A . ? SER 29 A PRO 29 A ? PRO 30 A 1 7.01 +2 PRO 199 A . ? PRO 200 A PRO 200 A ? PRO 201 A 1 2.34 +3 ZY9 4 B . ? ZY9 304 B QVS 5 B ? QVS 305 B 1 20.38 +4 QUK 6 B . ? QUK 306 B ZY9 7 B ? ZY9 307 B 1 21.55 +5 ZY9 9 B . ? ZY9 309 B ZY9 10 B ? ZY9 310 B 1 9.43 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +AA1 ? 6 ? +AA2 ? 8 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +AA1 1 2 ? anti-parallel +AA1 2 3 ? anti-parallel +AA1 3 4 ? anti-parallel +AA1 4 5 ? anti-parallel +AA1 5 6 ? anti-parallel +AA2 1 2 ? anti-parallel +AA2 2 3 ? anti-parallel +AA2 3 4 ? anti-parallel +AA2 4 5 ? anti-parallel +AA2 5 6 ? parallel +AA2 6 7 ? anti-parallel +AA2 7 8 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +AA1 1 LEU A 46 ? SER A 49 ? LEU A 47 SER A 50 +AA1 2 VAL A 77 ? GLY A 80 ? VAL A 78 GLY A 81 +AA1 3 TYR A 87 ? TRP A 96 ? TYR A 88 TRP A 97 +AA1 4 PHE A 65 ? PHE A 69 ? PHE A 66 PHE A 70 +AA1 5 SER A 55 ? ASN A 60 ? SER A 56 ASN A 61 +AA1 6 SER A 171 ? ASP A 173 ? SER A 172 ASP A 174 +AA2 1 LEU A 46 ? SER A 49 ? LEU A 47 SER A 50 +AA2 2 VAL A 77 ? GLY A 80 ? VAL A 78 GLY A 81 +AA2 3 TYR A 87 ? TRP A 96 ? TYR A 88 TRP A 97 +AA2 4 ALA A 115 ? ASN A 123 ? ALA A 116 ASN A 124 +AA2 5 LEU A 139 ? VAL A 148 ? LEU A 140 VAL A 149 +AA2 6 VAL A 205 ? VAL A 216 ? VAL A 206 VAL A 217 +AA2 7 TYR A 189 ? GLY A 194 ? TYR A 190 GLY A 195 +AA2 8 LYS A 255 ? ALA A 256 ? LYS A 256 ALA A 257 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +AA1 1 2 N SER A 49 ? N SER A 50 O VAL A 77 ? O VAL A 78 +AA1 2 3 N LEU A 78 ? N LEU A 79 O TYR A 87 ? O TYR A 88 +AA1 3 4 O ILE A 90 ? O ILE A 91 N PHE A 69 ? N PHE A 70 +AA1 4 5 O ASN A 66 ? O ASN A 67 N LEU A 59 ? N LEU A 60 +AA1 5 6 N ILE A 58 ? N ILE A 59 O ALA A 172 ? O ALA A 173 +AA2 1 2 N SER A 49 ? N SER A 50 O VAL A 77 ? O VAL A 78 +AA2 2 3 N LEU A 78 ? N LEU A 79 O TYR A 87 ? O TYR A 88 +AA2 3 4 N GLN A 91 ? N GLN A 92 O VAL A 120 ? O VAL A 121 +AA2 4 5 N LEU A 117 ? N LEU A 118 O ILE A 144 ? O ILE A 145 +AA2 5 6 N GLY A 143 ? N GLY A 144 O ILE A 208 ? O ILE A 209 +AA2 6 7 O VAL A 205 ? O VAL A 206 N GLY A 194 ? N GLY A 195 +AA2 7 8 N THR A 191 ? N THR A 192 O LYS A 255 ? O LYS A 256 +# +loop_ +_struct_site.id +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +_struct_site.pdbx_num_residues +_struct_site.details +AC1 Software A ZN 301 ? 3 'binding site for residue ZN A 301' +AC3 Software B QUJ 303 ? 3 'binding site for residues QUJ A 303 and ZY9 A 304' +AC4 Software B ZY9 304 ? 6 'binding site for residues ZY9 A 304 and QVS A 305' +AC5 Software B QVS 305 ? 6 'binding site for residues QVS A 305 and QUK A 306' +AC6 Software B QUK 306 ? 8 'binding site for residues QUK A 306 and ZY9 A 307' +AC7 Software B ZY9 307 ? 8 'binding site for residues ZY9 A 307 and QVE A 308' +AC8 Software B QVE 308 ? 7 'binding site for residues QVE A 308 and ZY9 A 309' +AC9 Software B ZY9 309 ? 8 'binding site for residues ZY9 A 309 and ZY9 A 310' +AD1 Software B ZY9 310 ? 8 'binding site for residues ZY9 A 310 and QVS A 311' +AD2 Software B QVS 311 ? 8 'binding site for residues QVS A 311 and ZY9 A 312' +AD3 Software B ZY9 312 ? 7 'binding site for residues ZY9 A 312 and QDD A 313' +AD4 Software B QDD 313 ? 5 'binding site for residues QDD A 313 and ZY9 A 314' +AD5 Software B ZY9 314 ? 10 'binding site for residues ZY9 A 314 and QVE A 315' +AD6 Software B QVE 315 ? 13 'binding site for residues QVE A 315 and QUK A 316' +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 3 HIS A 93 ? HIS A 94 . ? 1_555 ? +2 AC1 3 HIS A 95 ? HIS A 96 . ? 1_555 ? +3 AC1 3 HIS A 118 ? HIS A 119 . ? 1_555 ? +4 AC3 3 QVS B 5 ? QVS B 305 . ? 1_555 ? +5 AC3 3 QUK B 6 ? QUK B 306 . ? 1_555 ? +6 AC3 3 ZY9 B 7 ? ZY9 B 307 . ? 1_555 ? +7 AC4 6 PHE A 19 ? PHE A 20 . ? 1_555 ? +8 AC4 6 QUJ B 3 ? QUJ B 303 . ? 1_555 ? +9 AC4 6 QUJ B 3 ? QUJ B 303 . ? 2_675 ? +10 AC4 6 QUK B 6 ? QUK B 306 . ? 1_555 ? +11 AC4 6 ZY9 B 7 ? ZY9 B 307 . ? 1_555 ? +12 AC4 6 QVE B 8 ? QVE B 308 . ? 1_555 ? +13 AC5 6 PHE A 19 ? PHE A 20 . ? 1_555 ? +14 AC5 6 QUJ B 3 ? QUJ B 303 . ? 1_555 ? +15 AC5 6 ZY9 B 4 ? ZY9 B 304 . ? 1_555 ? +16 AC5 6 ZY9 B 7 ? ZY9 B 307 . ? 1_555 ? +17 AC5 6 QVE B 8 ? QVE B 308 . ? 1_555 ? +18 AC5 6 ZY9 B 9 ? ZY9 B 309 . ? 1_555 ? +19 AC6 8 PHE A 19 ? PHE A 20 . ? 1_555 ? +20 AC6 8 PRO A 200 ? PRO A 201 . ? 1_555 ? +21 AC6 8 QUJ B 3 ? QUJ B 303 . ? 1_555 ? +22 AC6 8 ZY9 B 4 ? ZY9 B 304 . ? 1_555 ? +23 AC6 8 QVS B 5 ? QVS B 305 . ? 1_555 ? +24 AC6 8 QVE B 8 ? QVE B 308 . ? 1_555 ? +25 AC6 8 ZY9 B 9 ? ZY9 B 309 . ? 1_555 ? +26 AC6 8 ZY9 B 10 ? ZY9 B 310 . ? 1_555 ? +27 AC7 8 PHE A 19 ? PHE A 20 . ? 1_555 ? +28 AC7 8 PRO A 200 ? PRO A 201 . ? 1_555 ? +29 AC7 8 ZY9 B 4 ? ZY9 B 304 . ? 1_555 ? +30 AC7 8 QVS B 5 ? QVS B 305 . ? 1_555 ? +31 AC7 8 QUK B 6 ? QUK B 306 . ? 1_555 ? +32 AC7 8 ZY9 B 9 ? ZY9 B 309 . ? 1_555 ? +33 AC7 8 ZY9 B 10 ? ZY9 B 310 . ? 1_555 ? +34 AC7 8 QVS B 11 ? QVS B 311 . ? 1_555 ? +35 AC8 7 GLN A 134 ? GLN A 135 . ? 1_555 ? +36 AC8 7 QVS B 5 ? QVS B 305 . ? 1_555 ? +37 AC8 7 QUK B 6 ? QUK B 306 . ? 1_555 ? +38 AC8 7 ZY9 B 7 ? ZY9 B 307 . ? 1_555 ? +39 AC8 7 ZY9 B 10 ? ZY9 B 310 . ? 1_555 ? +40 AC8 7 QVS B 11 ? QVS B 311 . ? 1_555 ? +41 AC8 7 ZY9 B 12 ? ZY9 B 312 . ? 1_555 ? +42 AC9 8 ASP A 18 ? ASP A 19 . ? 1_555 ? +43 AC9 8 GLN A 134 ? GLN A 135 . ? 1_555 ? +44 AC9 8 QUK B 6 ? QUK B 306 . ? 1_555 ? +45 AC9 8 ZY9 B 7 ? ZY9 B 307 . ? 1_555 ? +46 AC9 8 QVE B 8 ? QVE B 308 . ? 1_555 ? +47 AC9 8 QVS B 11 ? QVS B 311 . ? 1_555 ? +48 AC9 8 ZY9 B 12 ? ZY9 B 312 . ? 1_555 ? +49 AC9 8 QDD B 13 ? QDD B 313 . ? 1_555 ? +50 AD1 8 ASP A 18 ? ASP A 19 . ? 1_555 ? +51 AD1 8 ZY9 B 7 ? ZY9 B 307 . ? 1_555 ? +52 AD1 8 QVE B 8 ? QVE B 308 . ? 1_555 ? +53 AD1 8 ZY9 B 9 ? ZY9 B 309 . ? 1_555 ? +54 AD1 8 ZY9 B 12 ? ZY9 B 312 . ? 1_555 ? +55 AD1 8 QDD B 13 ? QDD B 313 . ? 1_555 ? +56 AD1 8 ZY9 B 14 ? ZY9 B 314 . ? 1_555 ? +57 AD1 8 HOH E . ? HOH B 401 . ? 1_555 ? +58 AD2 8 LEU A 202 ? LEU A 203 . ? 1_555 ? +59 AD2 8 QVE B 8 ? QVE B 308 . ? 1_555 ? +60 AD2 8 ZY9 B 9 ? ZY9 B 309 . ? 1_555 ? +61 AD2 8 ZY9 B 10 ? ZY9 B 310 . ? 1_555 ? +62 AD2 8 QDD B 13 ? QDD B 313 . ? 1_555 ? +63 AD2 8 ZY9 B 14 ? ZY9 B 314 . ? 1_555 ? +64 AD2 8 QVE B 15 ? QVE B 315 . ? 1_555 ? +65 AD2 8 HOH E . ? HOH B 401 . ? 1_555 ? +66 AD3 7 LEU A 202 ? LEU A 203 . ? 1_555 ? +67 AD3 7 ZY9 B 9 ? ZY9 B 309 . ? 1_555 ? +68 AD3 7 ZY9 B 10 ? ZY9 B 310 . ? 1_555 ? +69 AD3 7 QVS B 11 ? QVS B 311 . ? 1_555 ? +70 AD3 7 ZY9 B 14 ? ZY9 B 314 . ? 1_555 ? +71 AD3 7 QVE B 15 ? QVE B 315 . ? 1_555 ? +72 AD3 7 QUK B 16 ? QUK B 316 . ? 1_555 ? +73 AD4 5 ZY9 B 10 ? ZY9 B 310 . ? 1_555 ? +74 AD4 5 QVS B 11 ? QVS B 311 . ? 1_555 ? +75 AD4 5 ZY9 B 12 ? ZY9 B 312 . ? 1_555 ? +76 AD4 5 QVE B 15 ? QVE B 315 . ? 1_555 ? +77 AD4 5 QUK B 16 ? QUK B 316 . ? 1_555 ? +78 AD5 10 PRO A 20 ? PRO A 21 . ? 1_555 ? +79 AD5 10 ILE A 21 ? ILE A 22 . ? 1_555 ? +80 AD5 10 SER A 47 ? SER A 48 . ? 3_544 ? +81 AD5 10 VAL A 48 ? VAL A 49 . ? 3_544 ? +82 AD5 10 SER A 49 ? SER A 50 . ? 3_544 ? +83 AD5 10 LYS A 79 ? LYS A 80 . ? 3_544 ? +84 AD5 10 QVS B 11 ? QVS B 311 . ? 1_555 ? +85 AD5 10 ZY9 B 12 ? ZY9 B 312 . ? 1_555 ? +86 AD5 10 QDD B 13 ? QDD B 313 . ? 1_555 ? +87 AD5 10 QUK B 16 ? QUK B 316 . ? 1_555 ? +88 AD6 13 PRO A 20 ? PRO A 21 . ? 1_555 ? +89 AD6 13 ILE A 21 ? ILE A 22 . ? 1_555 ? +90 AD6 13 SER A 47 ? SER A 48 . ? 3_544 ? +91 AD6 13 VAL A 48 ? VAL A 49 . ? 3_544 ? +92 AD6 13 SER A 49 ? SER A 50 . ? 3_544 ? +93 AD6 13 LYS A 79 ? LYS A 80 . ? 3_544 ? +94 AD6 13 ARG A 180 ? ARG A 181 . ? 3_544 ? +95 AD6 13 PRO A 184 ? PRO A 185 . ? 3_544 ? +96 AD6 13 LEU A 187 ? LEU A 188 . ? 3_544 ? +97 AD6 13 ZY9 B 12 ? ZY9 B 312 . ? 1_555 ? +98 AD6 13 QDD B 13 ? QDD B 313 . ? 1_555 ? +99 AD6 13 ZY9 B 14 ? ZY9 B 314 . ? 1_555 ? +100 AD6 13 HOH E . ? HOH B 402 . ? 1_555 ? +# +_pdbx_entry_details.entry_id 6Q9T +_pdbx_entry_details.compound_details ? +_pdbx_entry_details.source_details ? +_pdbx_entry_details.nonpolymer_details ? +_pdbx_entry_details.sequence_details ? +_pdbx_entry_details.has_ligand_of_interest ? +_pdbx_entry_details.has_protein_modification Y +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 C B A1IJ4 302 ? ? N B QUJ 303 ? ? CA B QUJ 303 ? ? 163.90 121.70 42.20 2.50 Y +2 1 C B QUJ 303 ? ? N B ZY9 304 ? ? CA B ZY9 304 ? ? 163.04 121.70 41.34 2.50 Y +3 1 C B ZY9 304 ? ? N B QVS 305 ? ? CA B QVS 305 ? ? 164.97 121.70 43.27 2.50 Y +4 1 CA B QUK 306 ? ? C B QUK 306 ? ? N B ZY9 307 ? ? 85.47 117.20 -31.73 2.20 Y +5 1 C B QUK 306 ? ? N B ZY9 307 ? ? CA B ZY9 307 ? ? 166.74 121.70 45.04 2.50 Y +6 1 C B ZY9 307 ? ? N B QVE 308 ? ? CA B QVE 308 ? ? 162.77 121.70 41.07 2.50 Y +7 1 C B QVE 308 ? ? N B ZY9 309 ? ? CA B ZY9 309 ? ? 161.23 121.70 39.53 2.50 Y +8 1 C B ZY9 309 ? ? N B ZY9 310 ? ? CA B ZY9 310 ? ? 162.82 121.70 41.12 2.50 Y +9 1 C B ZY9 310 ? ? N B QVS 311 ? ? CA B QVS 311 ? ? 165.70 121.70 44.00 2.50 Y +10 1 C B QVS 311 ? ? N B ZY9 312 ? ? CA B ZY9 312 ? ? 163.37 121.70 41.67 2.50 Y +11 1 C B QDD 313 ? ? N B ZY9 314 ? ? CA B ZY9 314 ? ? 160.12 121.70 38.42 2.50 Y +12 1 C B ZY9 314 ? ? N B QVE 315 ? ? CA B QVE 315 ? ? 159.27 121.70 37.57 2.50 Y +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 PRO A 13 ? ? -33.86 -39.53 +2 1 ILE A 33 ? ? -117.55 78.54 +3 1 LEU A 44 ? ? -55.03 108.08 +4 1 LEU A 57 ? ? -122.21 -62.66 +5 1 HIS A 64 ? ? -137.63 -34.94 +6 1 ALA A 65 ? ? -168.03 -162.17 +7 1 ALA A 77 ? ? -164.11 102.44 +8 1 SER A 99 ? ? -102.44 -68.44 +9 1 ASP A 138 ? ? -98.74 32.01 +10 1 SER A 151 ? ? -43.63 151.21 +11 1 VAL A 159 ? ? -91.17 -71.61 +12 1 PHE A 175 ? ? -162.89 90.50 +13 1 LEU A 188 ? ? -96.62 40.28 +14 1 PRO A 201 ? ? -78.19 24.69 +15 1 LEU A 202 ? ? 47.78 25.16 +16 1 TRP A 244 ? ? -135.67 -159.14 +17 1 LYS A 251 ? ? 49.15 -130.70 +18 1 QUJ B 303 ? ? 16.39 11.34 +19 1 ZY9 B 304 ? ? -30.43 16.28 +20 1 QVS B 305 ? ? -3.18 17.69 +21 1 QUK B 306 ? ? -176.19 20.19 +22 1 ZY9 B 307 ? ? 1.03 11.54 +23 1 QVE B 308 ? ? -22.85 14.65 +24 1 ZY9 B 309 ? ? -21.28 21.97 +25 1 ZY9 B 310 ? ? 7.31 11.12 +26 1 QVS B 311 ? ? -26.40 16.93 +27 1 ZY9 B 312 ? ? -39.68 14.37 +28 1 ZY9 B 314 ? ? -46.17 36.32 +29 1 QVE B 315 ? ? 40.10 17.83 +# +loop_ +_pdbx_validate_peptide_omega.id +_pdbx_validate_peptide_omega.PDB_model_num +_pdbx_validate_peptide_omega.auth_comp_id_1 +_pdbx_validate_peptide_omega.auth_asym_id_1 +_pdbx_validate_peptide_omega.auth_seq_id_1 +_pdbx_validate_peptide_omega.PDB_ins_code_1 +_pdbx_validate_peptide_omega.label_alt_id_1 +_pdbx_validate_peptide_omega.auth_comp_id_2 +_pdbx_validate_peptide_omega.auth_asym_id_2 +_pdbx_validate_peptide_omega.auth_seq_id_2 +_pdbx_validate_peptide_omega.PDB_ins_code_2 +_pdbx_validate_peptide_omega.label_alt_id_2 +_pdbx_validate_peptide_omega.omega +1 1 QUJ B 303 ? ? ZY9 B 304 ? ? 46.32 +2 1 ZY9 B 307 ? ? QVE B 308 ? ? 38.13 +3 1 QVE B 308 ? ? ZY9 B 309 ? ? 33.36 +4 1 ZY9 B 310 ? ? QVS B 311 ? ? 40.08 +5 1 QVS B 311 ? ? ZY9 B 312 ? ? 50.93 +6 1 ZY9 B 314 ? ? QVE B 315 ? ? -35.30 +# +_pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' +_pdbx_refine_tls.id 1 +_pdbx_refine_tls.details ? +_pdbx_refine_tls.method refined +_pdbx_refine_tls.origin_x 21.6470 +_pdbx_refine_tls.origin_y 93.7520 +_pdbx_refine_tls.origin_z -32.1530 +_pdbx_refine_tls.T[1][1] 0.4049 +_pdbx_refine_tls.T[2][2] 0.2932 +_pdbx_refine_tls.T[3][3] 0.0118 +_pdbx_refine_tls.T[1][2] 0.0067 +_pdbx_refine_tls.T[1][3] 0.0054 +_pdbx_refine_tls.T[2][3] 0.0029 +_pdbx_refine_tls.L[1][1] 2.2127 +_pdbx_refine_tls.L[2][2] 3.9027 +_pdbx_refine_tls.L[3][3] 0.1756 +_pdbx_refine_tls.L[1][2] -0.3980 +_pdbx_refine_tls.L[1][3] 0.2305 +_pdbx_refine_tls.L[2][3] -0.5609 +_pdbx_refine_tls.S[1][1] 0.0956 +_pdbx_refine_tls.S[1][2] 0.1791 +_pdbx_refine_tls.S[1][3] -0.0058 +_pdbx_refine_tls.S[2][1] -0.3389 +_pdbx_refine_tls.S[2][2] -0.0765 +_pdbx_refine_tls.S[2][3] -0.0737 +_pdbx_refine_tls.S[3][1] 0.0481 +_pdbx_refine_tls.S[3][2] -0.0330 +_pdbx_refine_tls.S[3][3] -0.0192 +# +_pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' +_pdbx_refine_tls_group.id 1 +_pdbx_refine_tls_group.refine_tls_id 1 +_pdbx_refine_tls_group.beg_auth_asym_id A +_pdbx_refine_tls_group.beg_auth_seq_id 12 +_pdbx_refine_tls_group.beg_label_asym_id ? +_pdbx_refine_tls_group.beg_label_seq_id ? +_pdbx_refine_tls_group.end_auth_asym_id A +_pdbx_refine_tls_group.end_auth_seq_id 260 +_pdbx_refine_tls_group.end_label_asym_id ? +_pdbx_refine_tls_group.end_label_seq_id ? +_pdbx_refine_tls_group.selection ? +_pdbx_refine_tls_group.selection_details ? +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 1 Y 1 A SER 2 ? A SER 1 +2 1 Y 1 A HIS 3 ? A HIS 2 +3 1 Y 1 A HIS 4 ? A HIS 3 +4 1 Y 1 A TRP 5 ? A TRP 4 +5 1 Y 1 A GLY 6 ? A GLY 5 +6 1 Y 1 A TYR 7 ? A TYR 6 +7 1 Y 1 A GLY 8 ? A GLY 7 +8 1 Y 1 A LYS 9 ? A LYS 8 +9 1 Y 1 A HIS 10 ? A HIS 9 +10 1 Y 1 A ASN 11 ? A ASN 10 +11 1 Y 1 A LEU 228 ? A LEU 227 +12 1 Y 1 A ASN 229 ? A ASN 228 +13 1 Y 1 A PHE 230 ? A PHE 229 +14 1 Y 1 A ASN 231 ? A ASN 230 +15 1 Y 1 A GLY 232 ? A GLY 231 +16 1 Y 1 A GLU 233 ? A GLU 232 +17 1 Y 1 A GLY 234 ? A GLY 233 +18 1 Y 1 A GLU 235 ? A GLU 234 +19 1 Y 1 A PRO 236 ? A PRO 235 +20 1 Y 1 A GLU 237 ? A GLU 236 +21 1 Y 1 A GLU 238 ? A GLU 237 +22 1 Y 1 A LEU 239 ? A LEU 238 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +4SO OAA O N N 1 +4SO OAB O N N 2 +4SO CAC C Y N 3 +4SO CAD C Y N 4 +4SO CAE C Y N 5 +4SO SAF S N N 6 +4SO NAG N N N 7 +4SO CAH C N N 8 +4SO CAI C Y N 9 +4SO CAJ C Y N 10 +4SO CAK C Y N 11 +4SO OAL O N N 12 +4SO OAM O N N 13 +4SO HAC H N N 14 +4SO HAD H N N 15 +4SO HNAG H N N 16 +4SO HNAA H N N 17 +4SO HAJ H N N 18 +4SO HAK H N N 19 +4SO HOAM H N N 20 +A1IJ4 O O N N 21 +A1IJ4 C C N N 22 +A1IJ4 C118 C N N 23 +A1IJ4 C119 C N N 24 +A1IJ4 C120 C N N 25 +A1IJ4 C121 C N N 26 +A1IJ4 C122 C Y N 27 +A1IJ4 C123 C Y N 28 +A1IJ4 N31 N N N 29 +A1IJ4 O71 O N N 30 +A1IJ4 C124 C Y N 31 +A1IJ4 C125 C Y N 32 +A1IJ4 C126 C Y N 33 +A1IJ4 C127 C Y N 34 +A1IJ4 C128 C N N 35 +A1IJ4 N N N N 36 +A1IJ4 H1 H N N 37 +A1IJ4 H3 H N N 38 +A1IJ4 H4 H N N 39 +A1IJ4 H5 H N N 40 +A1IJ4 H6 H N N 41 +A1IJ4 H7 H N N 42 +A1IJ4 H8 H N N 43 +A1IJ4 H9 H N N 44 +A1IJ4 H10 H N N 45 +A1IJ4 H11 H N N 46 +A1IJ4 H12 H N N 47 +A1IJ4 H13 H N N 48 +A1IJ4 H14 H N N 49 +A1IJ4 H15 H N N 50 +A1IJ4 H16 H N N 51 +A1IJ4 H H N N 52 +A1IJ4 H2 H N N 53 +A1IJ4 OXT O N N 54 +A1IJ4 HXT H N N 55 +ALA N N N N 56 +ALA CA C N S 57 +ALA C C N N 58 +ALA O O N N 59 +ALA CB C N N 60 +ALA OXT O N N 61 +ALA H H N N 62 +ALA H2 H N N 63 +ALA HA H N N 64 +ALA HB1 H N N 65 +ALA HB2 H N N 66 +ALA HB3 H N N 67 +ALA HXT H N N 68 +ARG N N N N 69 +ARG CA C N S 70 +ARG C C N N 71 +ARG O O N N 72 +ARG CB C N N 73 +ARG CG C N N 74 +ARG CD C N N 75 +ARG NE N N N 76 +ARG CZ C N N 77 +ARG NH1 N N N 78 +ARG NH2 N N N 79 +ARG OXT O N N 80 +ARG H H N N 81 +ARG H2 H N N 82 +ARG HA H N N 83 +ARG HB2 H N N 84 +ARG HB3 H N N 85 +ARG HG2 H N N 86 +ARG HG3 H N N 87 +ARG HD2 H N N 88 +ARG HD3 H N N 89 +ARG HE H N N 90 +ARG HH11 H N N 91 +ARG HH12 H N N 92 +ARG HH21 H N N 93 +ARG HH22 H N N 94 +ARG HXT H N N 95 +ASN N N N N 96 +ASN CA C N S 97 +ASN C C N N 98 +ASN O O N N 99 +ASN CB C N N 100 +ASN CG C N N 101 +ASN OD1 O N N 102 +ASN ND2 N N N 103 +ASN OXT O N N 104 +ASN H H N N 105 +ASN H2 H N N 106 +ASN HA H N N 107 +ASN HB2 H N N 108 +ASN HB3 H N N 109 +ASN HD21 H N N 110 +ASN HD22 H N N 111 +ASN HXT H N N 112 +ASP N N N N 113 +ASP CA C N S 114 +ASP C C N N 115 +ASP O O N N 116 +ASP CB C N N 117 +ASP CG C N N 118 +ASP OD1 O N N 119 +ASP OD2 O N N 120 +ASP OXT O N N 121 +ASP H H N N 122 +ASP H2 H N N 123 +ASP HA H N N 124 +ASP HB2 H N N 125 +ASP HB3 H N N 126 +ASP HD2 H N N 127 +ASP HXT H N N 128 +CYS N N N N 129 +CYS CA C N R 130 +CYS C C N N 131 +CYS O O N N 132 +CYS CB C N N 133 +CYS SG S N N 134 +CYS OXT O N N 135 +CYS H H N N 136 +CYS H2 H N N 137 +CYS HA H N N 138 +CYS HB2 H N N 139 +CYS HB3 H N N 140 +CYS HG H N N 141 +CYS HXT H N N 142 +GLN N N N N 143 +GLN CA C N S 144 +GLN C C N N 145 +GLN O O N N 146 +GLN CB C N N 147 +GLN CG C N N 148 +GLN CD C N N 149 +GLN OE1 O N N 150 +GLN NE2 N N N 151 +GLN OXT O N N 152 +GLN H H N N 153 +GLN H2 H N N 154 +GLN HA H N N 155 +GLN HB2 H N N 156 +GLN HB3 H N N 157 +GLN HG2 H N N 158 +GLN HG3 H N N 159 +GLN HE21 H N N 160 +GLN HE22 H N N 161 +GLN HXT H N N 162 +GLU N N N N 163 +GLU CA C N S 164 +GLU C C N N 165 +GLU O O N N 166 +GLU CB C N N 167 +GLU CG C N N 168 +GLU CD C N N 169 +GLU OE1 O N N 170 +GLU OE2 O N N 171 +GLU OXT O N N 172 +GLU H H N N 173 +GLU H2 H N N 174 +GLU HA H N N 175 +GLU HB2 H N N 176 +GLU HB3 H N N 177 +GLU HG2 H N N 178 +GLU HG3 H N N 179 +GLU HE2 H N N 180 +GLU HXT H N N 181 +GLY N N N N 182 +GLY CA C N N 183 +GLY C C N N 184 +GLY O O N N 185 +GLY OXT O N N 186 +GLY H H N N 187 +GLY H2 H N N 188 +GLY HA2 H N N 189 +GLY HA3 H N N 190 +GLY HXT H N N 191 +HIS N N N N 192 +HIS CA C N S 193 +HIS C C N N 194 +HIS O O N N 195 +HIS CB C N N 196 +HIS CG C Y N 197 +HIS ND1 N Y N 198 +HIS CD2 C Y N 199 +HIS CE1 C Y N 200 +HIS NE2 N Y N 201 +HIS OXT O N N 202 +HIS H H N N 203 +HIS H2 H N N 204 +HIS HA H N N 205 +HIS HB2 H N N 206 +HIS HB3 H N N 207 +HIS HD1 H N N 208 +HIS HD2 H N N 209 +HIS HE1 H N N 210 +HIS HE2 H N N 211 +HIS HXT H N N 212 +HOH O O N N 213 +HOH H1 H N N 214 +HOH H2 H N N 215 +ILE N N N N 216 +ILE CA C N S 217 +ILE C C N N 218 +ILE O O N N 219 +ILE CB C N S 220 +ILE CG1 C N N 221 +ILE CG2 C N N 222 +ILE CD1 C N N 223 +ILE OXT O N N 224 +ILE H H N N 225 +ILE H2 H N N 226 +ILE HA H N N 227 +ILE HB H N N 228 +ILE HG12 H N N 229 +ILE HG13 H N N 230 +ILE HG21 H N N 231 +ILE HG22 H N N 232 +ILE HG23 H N N 233 +ILE HD11 H N N 234 +ILE HD12 H N N 235 +ILE HD13 H N N 236 +ILE HXT H N N 237 +LEU N N N N 238 +LEU CA C N S 239 +LEU C C N N 240 +LEU O O N N 241 +LEU CB C N N 242 +LEU CG C N N 243 +LEU CD1 C N N 244 +LEU CD2 C N N 245 +LEU OXT O N N 246 +LEU H H N N 247 +LEU H2 H N N 248 +LEU HA H N N 249 +LEU HB2 H N N 250 +LEU HB3 H N N 251 +LEU HG H N N 252 +LEU HD11 H N N 253 +LEU HD12 H N N 254 +LEU HD13 H N N 255 +LEU HD21 H N N 256 +LEU HD22 H N N 257 +LEU HD23 H N N 258 +LEU HXT H N N 259 +LYS N N N N 260 +LYS CA C N S 261 +LYS C C N N 262 +LYS O O N N 263 +LYS CB C N N 264 +LYS CG C N N 265 +LYS CD C N N 266 +LYS CE C N N 267 +LYS NZ N N N 268 +LYS OXT O N N 269 +LYS H H N N 270 +LYS H2 H N N 271 +LYS HA H N N 272 +LYS HB2 H N N 273 +LYS HB3 H N N 274 +LYS HG2 H N N 275 +LYS HG3 H N N 276 +LYS HD2 H N N 277 +LYS HD3 H N N 278 +LYS HE2 H N N 279 +LYS HE3 H N N 280 +LYS HZ1 H N N 281 +LYS HZ2 H N N 282 +LYS HZ3 H N N 283 +LYS HXT H N N 284 +MET N N N N 285 +MET CA C N S 286 +MET C C N N 287 +MET O O N N 288 +MET CB C N N 289 +MET CG C N N 290 +MET SD S N N 291 +MET CE C N N 292 +MET OXT O N N 293 +MET H H N N 294 +MET H2 H N N 295 +MET HA H N N 296 +MET HB2 H N N 297 +MET HB3 H N N 298 +MET HG2 H N N 299 +MET HG3 H N N 300 +MET HE1 H N N 301 +MET HE2 H N N 302 +MET HE3 H N N 303 +MET HXT H N N 304 +PHE N N N N 305 +PHE CA C N S 306 +PHE C C N N 307 +PHE O O N N 308 +PHE CB C N N 309 +PHE CG C Y N 310 +PHE CD1 C Y N 311 +PHE CD2 C Y N 312 +PHE CE1 C Y N 313 +PHE CE2 C Y N 314 +PHE CZ C Y N 315 +PHE OXT O N N 316 +PHE H H N N 317 +PHE H2 H N N 318 +PHE HA H N N 319 +PHE HB2 H N N 320 +PHE HB3 H N N 321 +PHE HD1 H N N 322 +PHE HD2 H N N 323 +PHE HE1 H N N 324 +PHE HE2 H N N 325 +PHE HZ H N N 326 +PHE HXT H N N 327 +PRO N N N N 328 +PRO CA C N S 329 +PRO C C N N 330 +PRO O O N N 331 +PRO CB C N N 332 +PRO CG C N N 333 +PRO CD C N N 334 +PRO OXT O N N 335 +PRO H H N N 336 +PRO HA H N N 337 +PRO HB2 H N N 338 +PRO HB3 H N N 339 +PRO HG2 H N N 340 +PRO HG3 H N N 341 +PRO HD2 H N N 342 +PRO HD3 H N N 343 +PRO HXT H N N 344 +QDD OD1 O N N 345 +QDD CG C N N 346 +QDD OD2 O N N 347 +QDD CB C N N 348 +QDD C8 C Y N 349 +QDD C9 C Y N 350 +QDD C10 C Y N 351 +QDD C C N N 352 +QDD O O N N 353 +QDD N11 N Y N 354 +QDD C7 C Y N 355 +QDD C6 C Y N 356 +QDD C5 C Y N 357 +QDD C4 C Y N 358 +QDD C3 C Y N 359 +QDD C2 C Y N 360 +QDD N N N N 361 +QDD H1 H N N 362 +QDD H5 H N N 363 +QDD H3 H N N 364 +QDD H4 H N N 365 +QDD H6 H N N 366 +QDD H7 H N N 367 +QDD H8 H N N 368 +QDD H H N N 369 +QDD H2 H N N 370 +QDD OXT O N N 371 +QDD HXT H N N 372 +QUJ C2 C Y N 373 +QUJ C3 C Y N 374 +QUJ C4 C Y N 375 +QUJ C5 C Y N 376 +QUJ C6 C Y N 377 +QUJ C8 C Y N 378 +QUJ C9 C Y N 379 +QUJ CA C Y N 380 +QUJ O O N N 381 +QUJ C C N N 382 +QUJ N11 N Y N 383 +QUJ C7 C Y N 384 +QUJ N N N N 385 +QUJ OB O N N 386 +QUJ CG C N N 387 +QUJ CD C N N 388 +QUJ CE2 C N N 389 +QUJ CE1 C N N 390 +QUJ H1 H N N 391 +QUJ H5 H N N 392 +QUJ H3 H N N 393 +QUJ H4 H N N 394 +QUJ H H N N 395 +QUJ H2 H N N 396 +QUJ H8 H N N 397 +QUJ H9 H N N 398 +QUJ H10 H N N 399 +QUJ H11 H N N 400 +QUJ H12 H N N 401 +QUJ H13 H N N 402 +QUJ H14 H N N 403 +QUJ H15 H N N 404 +QUJ H16 H N N 405 +QUJ OXT O N N 406 +QUJ HXT H N N 407 +QUK O O N N 408 +QUK C C N N 409 +QUK C10 C Y N 410 +QUK N11 N Y N 411 +QUK C7 C Y N 412 +QUK CA C Y N 413 +QUK N N N N 414 +QUK C9 C Y N 415 +QUK C8 C Y N 416 +QUK C6 C Y N 417 +QUK C5 C Y N 418 +QUK C4 C Y N 419 +QUK C3 C Y N 420 +QUK OB O N N 421 +QUK CG C N N 422 +QUK CD C N N 423 +QUK CE C N N 424 +QUK OXT O N N 425 +QUK H H N N 426 +QUK H2 H N N 427 +QUK H3 H N N 428 +QUK H4 H N N 429 +QUK H5 H N N 430 +QUK H6 H N N 431 +QUK H7 H N N 432 +QUK H8 H N N 433 +QUK H9 H N N 434 +QUK H10 H N N 435 +QUK H11 H N N 436 +QUK H12 H N N 437 +QUK HXT H N N 438 +QUK N1 N N N 439 +QUK H13 H N N 440 +QUK H15 H N N 441 +QVE O O N N 442 +QVE C C N N 443 +QVE CA C Y N 444 +QVE N11 N Y N 445 +QVE C7 C Y N 446 +QVE C2 C Y N 447 +QVE N N N N 448 +QVE C9 C Y N 449 +QVE C8 C Y N 450 +QVE OB O N N 451 +QVE CG C N N 452 +QVE CD C N N 453 +QVE OE2 O N N 454 +QVE OE1 O N N 455 +QVE C6 C Y N 456 +QVE C5 C Y N 457 +QVE C4 C Y N 458 +QVE C3 C Y N 459 +QVE H2 H N N 460 +QVE H H N N 461 +QVE H4 H N N 462 +QVE H5 H N N 463 +QVE H6 H N N 464 +QVE H7 H N N 465 +QVE H8 H N N 466 +QVE H9 H N N 467 +QVE H10 H N N 468 +QVE OXT O N N 469 +QVE HXT H N N 470 +QVS OB O N N 471 +QVS C8 C Y N 472 +QVS C9 C Y N 473 +QVS CA C Y N 474 +QVS C C N N 475 +QVS O O N N 476 +QVS N11 N Y N 477 +QVS C7 C Y N 478 +QVS C6 C Y N 479 +QVS C5 C Y N 480 +QVS C4 C Y N 481 +QVS C3 C Y N 482 +QVS C2 C Y N 483 +QVS N N N N 484 +QVS H1 H N N 485 +QVS H3 H N N 486 +QVS H4 H N N 487 +QVS H5 H N N 488 +QVS H6 H N N 489 +QVS H H N N 490 +QVS H2 H N N 491 +QVS OXT O N N 492 +QVS HXT H N N 493 +SER N N N N 494 +SER CA C N S 495 +SER C C N N 496 +SER O O N N 497 +SER CB C N N 498 +SER OG O N N 499 +SER OXT O N N 500 +SER H H N N 501 +SER H2 H N N 502 +SER HA H N N 503 +SER HB2 H N N 504 +SER HB3 H N N 505 +SER HG H N N 506 +SER HXT H N N 507 +THR N N N N 508 +THR CA C N S 509 +THR C C N N 510 +THR O O N N 511 +THR CB C N R 512 +THR OG1 O N N 513 +THR CG2 C N N 514 +THR OXT O N N 515 +THR H H N N 516 +THR H2 H N N 517 +THR HA H N N 518 +THR HB H N N 519 +THR HG1 H N N 520 +THR HG21 H N N 521 +THR HG22 H N N 522 +THR HG23 H N N 523 +THR HXT H N N 524 +TRP N N N N 525 +TRP CA C N S 526 +TRP C C N N 527 +TRP O O N N 528 +TRP CB C N N 529 +TRP CG C Y N 530 +TRP CD1 C Y N 531 +TRP CD2 C Y N 532 +TRP NE1 N Y N 533 +TRP CE2 C Y N 534 +TRP CE3 C Y N 535 +TRP CZ2 C Y N 536 +TRP CZ3 C Y N 537 +TRP CH2 C Y N 538 +TRP OXT O N N 539 +TRP H H N N 540 +TRP H2 H N N 541 +TRP HA H N N 542 +TRP HB2 H N N 543 +TRP HB3 H N N 544 +TRP HD1 H N N 545 +TRP HE1 H N N 546 +TRP HE3 H N N 547 +TRP HZ2 H N N 548 +TRP HZ3 H N N 549 +TRP HH2 H N N 550 +TRP HXT H N N 551 +TYR N N N N 552 +TYR CA C N S 553 +TYR C C N N 554 +TYR O O N N 555 +TYR CB C N N 556 +TYR CG C Y N 557 +TYR CD1 C Y N 558 +TYR CD2 C Y N 559 +TYR CE1 C Y N 560 +TYR CE2 C Y N 561 +TYR CZ C Y N 562 +TYR OH O N N 563 +TYR OXT O N N 564 +TYR H H N N 565 +TYR H2 H N N 566 +TYR HA H N N 567 +TYR HB2 H N N 568 +TYR HB3 H N N 569 +TYR HD1 H N N 570 +TYR HD2 H N N 571 +TYR HE1 H N N 572 +TYR HE2 H N N 573 +TYR HH H N N 574 +TYR HXT H N N 575 +VAL N N N N 576 +VAL CA C N S 577 +VAL C C N N 578 +VAL O O N N 579 +VAL CB C N N 580 +VAL CG1 C N N 581 +VAL CG2 C N N 582 +VAL OXT O N N 583 +VAL H H N N 584 +VAL H2 H N N 585 +VAL HA H N N 586 +VAL HB H N N 587 +VAL HG11 H N N 588 +VAL HG12 H N N 589 +VAL HG13 H N N 590 +VAL HG21 H N N 591 +VAL HG22 H N N 592 +VAL HG23 H N N 593 +VAL HXT H N N 594 +ZN ZN ZN N N 595 +ZY9 O O N N 596 +ZY9 C C N N 597 +ZY9 CA C Y N 598 +ZY9 N11 N Y N 599 +ZY9 C9 C Y N 600 +ZY9 C8 C Y N 601 +ZY9 C6 C Y N 602 +ZY9 C7 C Y N 603 +ZY9 C2 C N N 604 +ZY9 N N N N 605 +ZY9 OXT O N N 606 +ZY9 H1 H N N 607 +ZY9 H6 H N N 608 +ZY9 H3 H N N 609 +ZY9 H4 H N N 610 +ZY9 H5 H N N 611 +ZY9 H H N N 612 +ZY9 H2 H N N 613 +ZY9 HXT H N N 614 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +4SO SAF OAA doub N N 1 +4SO OAB CAH doub N N 2 +4SO CAI CAC doub Y N 3 +4SO CAC CAD sing Y N 4 +4SO CAC HAC sing N N 5 +4SO CAE CAD doub Y N 6 +4SO CAD HAD sing N N 7 +4SO CAK CAE sing Y N 8 +4SO CAE SAF sing N N 9 +4SO OAL SAF doub N N 10 +4SO NAG SAF sing N N 11 +4SO NAG HNAG sing N N 12 +4SO NAG HNAA sing N N 13 +4SO CAH CAI sing N N 14 +4SO CAH OAM sing N N 15 +4SO CAJ CAI sing Y N 16 +4SO CAJ CAK doub Y N 17 +4SO CAJ HAJ sing N N 18 +4SO CAK HAK sing N N 19 +4SO OAM HOAM sing N N 20 +A1IJ4 N C128 sing N N 21 +A1IJ4 C128 C127 sing N N 22 +A1IJ4 O C doub N N 23 +A1IJ4 C127 C126 doub Y N 24 +A1IJ4 C127 C124 sing Y N 25 +A1IJ4 C N31 sing N N 26 +A1IJ4 C126 C125 sing Y N 27 +A1IJ4 C124 C122 doub Y N 28 +A1IJ4 C118 N31 sing N N 29 +A1IJ4 C118 C119 sing N N 30 +A1IJ4 C125 C123 doub Y N 31 +A1IJ4 C121 O71 sing N N 32 +A1IJ4 C121 C120 sing N N 33 +A1IJ4 C122 C123 sing Y N 34 +A1IJ4 C122 O71 sing N N 35 +A1IJ4 C120 C119 sing N N 36 +A1IJ4 C118 H1 sing N N 37 +A1IJ4 C118 H3 sing N N 38 +A1IJ4 C119 H4 sing N N 39 +A1IJ4 C119 H5 sing N N 40 +A1IJ4 C120 H6 sing N N 41 +A1IJ4 C120 H7 sing N N 42 +A1IJ4 C121 H8 sing N N 43 +A1IJ4 C121 H9 sing N N 44 +A1IJ4 C123 H10 sing N N 45 +A1IJ4 N31 H11 sing N N 46 +A1IJ4 C124 H12 sing N N 47 +A1IJ4 C125 H13 sing N N 48 +A1IJ4 C126 H14 sing N N 49 +A1IJ4 C128 H15 sing N N 50 +A1IJ4 C128 H16 sing N N 51 +A1IJ4 N H sing N N 52 +A1IJ4 N H2 sing N N 53 +A1IJ4 C OXT sing N N 54 +A1IJ4 OXT HXT sing N N 55 +ALA N CA sing N N 56 +ALA N H sing N N 57 +ALA N H2 sing N N 58 +ALA CA C sing N N 59 +ALA CA CB sing N N 60 +ALA CA HA sing N N 61 +ALA C O doub N N 62 +ALA C OXT sing N N 63 +ALA CB HB1 sing N N 64 +ALA CB HB2 sing N N 65 +ALA CB HB3 sing N N 66 +ALA OXT HXT sing N N 67 +ARG N CA sing N N 68 +ARG N H sing N N 69 +ARG N H2 sing N N 70 +ARG CA C sing N N 71 +ARG CA CB sing N N 72 +ARG CA HA sing N N 73 +ARG C O doub N N 74 +ARG C OXT sing N N 75 +ARG CB CG sing N N 76 +ARG CB HB2 sing N N 77 +ARG CB HB3 sing N N 78 +ARG CG CD sing N N 79 +ARG CG HG2 sing N N 80 +ARG CG HG3 sing N N 81 +ARG CD NE sing N N 82 +ARG CD HD2 sing N N 83 +ARG CD HD3 sing N N 84 +ARG NE CZ sing N N 85 +ARG NE HE sing N N 86 +ARG CZ NH1 sing N N 87 +ARG CZ NH2 doub N N 88 +ARG NH1 HH11 sing N N 89 +ARG NH1 HH12 sing N N 90 +ARG NH2 HH21 sing N N 91 +ARG NH2 HH22 sing N N 92 +ARG OXT HXT sing N N 93 +ASN N CA sing N N 94 +ASN N H sing N N 95 +ASN N H2 sing N N 96 +ASN CA C sing N N 97 +ASN CA CB sing N N 98 +ASN CA HA sing N N 99 +ASN C O doub N N 100 +ASN C OXT sing N N 101 +ASN CB CG sing N N 102 +ASN CB HB2 sing N N 103 +ASN CB HB3 sing N N 104 +ASN CG OD1 doub N N 105 +ASN CG ND2 sing N N 106 +ASN ND2 HD21 sing N N 107 +ASN ND2 HD22 sing N N 108 +ASN OXT HXT sing N N 109 +ASP N CA sing N N 110 +ASP N H sing N N 111 +ASP N H2 sing N N 112 +ASP CA C sing N N 113 +ASP CA CB sing N N 114 +ASP CA HA sing N N 115 +ASP C O doub N N 116 +ASP C OXT sing N N 117 +ASP CB CG sing N N 118 +ASP CB HB2 sing N N 119 +ASP CB HB3 sing N N 120 +ASP CG OD1 doub N N 121 +ASP CG OD2 sing N N 122 +ASP OD2 HD2 sing N N 123 +ASP OXT HXT sing N N 124 +CYS N CA sing N N 125 +CYS N H sing N N 126 +CYS N H2 sing N N 127 +CYS CA C sing N N 128 +CYS CA CB sing N N 129 +CYS CA HA sing N N 130 +CYS C O doub N N 131 +CYS C OXT sing N N 132 +CYS CB SG sing N N 133 +CYS CB HB2 sing N N 134 +CYS CB HB3 sing N N 135 +CYS SG HG sing N N 136 +CYS OXT HXT sing N N 137 +GLN N CA sing N N 138 +GLN N H sing N N 139 +GLN N H2 sing N N 140 +GLN CA C sing N N 141 +GLN CA CB sing N N 142 +GLN CA HA sing N N 143 +GLN C O doub N N 144 +GLN C OXT sing N N 145 +GLN CB CG sing N N 146 +GLN CB HB2 sing N N 147 +GLN CB HB3 sing N N 148 +GLN CG CD sing N N 149 +GLN CG HG2 sing N N 150 +GLN CG HG3 sing N N 151 +GLN CD OE1 doub N N 152 +GLN CD NE2 sing N N 153 +GLN NE2 HE21 sing N N 154 +GLN NE2 HE22 sing N N 155 +GLN OXT HXT sing N N 156 +GLU N CA sing N N 157 +GLU N H sing N N 158 +GLU N H2 sing N N 159 +GLU CA C sing N N 160 +GLU CA CB sing N N 161 +GLU CA HA sing N N 162 +GLU C O doub N N 163 +GLU C OXT sing N N 164 +GLU CB CG sing N N 165 +GLU CB HB2 sing N N 166 +GLU CB HB3 sing N N 167 +GLU CG CD sing N N 168 +GLU CG HG2 sing N N 169 +GLU CG HG3 sing N N 170 +GLU CD OE1 doub N N 171 +GLU CD OE2 sing N N 172 +GLU OE2 HE2 sing N N 173 +GLU OXT HXT sing N N 174 +GLY N CA sing N N 175 +GLY N H sing N N 176 +GLY N H2 sing N N 177 +GLY CA C sing N N 178 +GLY CA HA2 sing N N 179 +GLY CA HA3 sing N N 180 +GLY C O doub N N 181 +GLY C OXT sing N N 182 +GLY OXT HXT sing N N 183 +HIS N CA sing N N 184 +HIS N H sing N N 185 +HIS N H2 sing N N 186 +HIS CA C sing N N 187 +HIS CA CB sing N N 188 +HIS CA HA sing N N 189 +HIS C O doub N N 190 +HIS C OXT sing N N 191 +HIS CB CG sing N N 192 +HIS CB HB2 sing N N 193 +HIS CB HB3 sing N N 194 +HIS CG ND1 sing Y N 195 +HIS CG CD2 doub Y N 196 +HIS ND1 CE1 doub Y N 197 +HIS ND1 HD1 sing N N 198 +HIS CD2 NE2 sing Y N 199 +HIS CD2 HD2 sing N N 200 +HIS CE1 NE2 sing Y N 201 +HIS CE1 HE1 sing N N 202 +HIS NE2 HE2 sing N N 203 +HIS OXT HXT sing N N 204 +HOH O H1 sing N N 205 +HOH O H2 sing N N 206 +ILE N CA sing N N 207 +ILE N H sing N N 208 +ILE N H2 sing N N 209 +ILE CA C sing N N 210 +ILE CA CB sing N N 211 +ILE CA HA sing N N 212 +ILE C O doub N N 213 +ILE C OXT sing N N 214 +ILE CB CG1 sing N N 215 +ILE CB CG2 sing N N 216 +ILE CB HB sing N N 217 +ILE CG1 CD1 sing N N 218 +ILE CG1 HG12 sing N N 219 +ILE CG1 HG13 sing N N 220 +ILE CG2 HG21 sing N N 221 +ILE CG2 HG22 sing N N 222 +ILE CG2 HG23 sing N N 223 +ILE CD1 HD11 sing N N 224 +ILE CD1 HD12 sing N N 225 +ILE CD1 HD13 sing N N 226 +ILE OXT HXT sing N N 227 +LEU N CA sing N N 228 +LEU N H sing N N 229 +LEU N H2 sing N N 230 +LEU CA C sing N N 231 +LEU CA CB sing N N 232 +LEU CA HA sing N N 233 +LEU C O doub N N 234 +LEU C OXT sing N N 235 +LEU CB CG sing N N 236 +LEU CB HB2 sing N N 237 +LEU CB HB3 sing N N 238 +LEU CG CD1 sing N N 239 +LEU CG CD2 sing N N 240 +LEU CG HG sing N N 241 +LEU CD1 HD11 sing N N 242 +LEU CD1 HD12 sing N N 243 +LEU CD1 HD13 sing N N 244 +LEU CD2 HD21 sing N N 245 +LEU CD2 HD22 sing N N 246 +LEU CD2 HD23 sing N N 247 +LEU OXT HXT sing N N 248 +LYS N CA sing N N 249 +LYS N H sing N N 250 +LYS N H2 sing N N 251 +LYS CA C sing N N 252 +LYS CA CB sing N N 253 +LYS CA HA sing N N 254 +LYS C O doub N N 255 +LYS C OXT sing N N 256 +LYS CB CG sing N N 257 +LYS CB HB2 sing N N 258 +LYS CB HB3 sing N N 259 +LYS CG CD sing N N 260 +LYS CG HG2 sing N N 261 +LYS CG HG3 sing N N 262 +LYS CD CE sing N N 263 +LYS CD HD2 sing N N 264 +LYS CD HD3 sing N N 265 +LYS CE NZ sing N N 266 +LYS CE HE2 sing N N 267 +LYS CE HE3 sing N N 268 +LYS NZ HZ1 sing N N 269 +LYS NZ HZ2 sing N N 270 +LYS NZ HZ3 sing N N 271 +LYS OXT HXT sing N N 272 +MET N CA sing N N 273 +MET N H sing N N 274 +MET N H2 sing N N 275 +MET CA C sing N N 276 +MET CA CB sing N N 277 +MET CA HA sing N N 278 +MET C O doub N N 279 +MET C OXT sing N N 280 +MET CB CG sing N N 281 +MET CB HB2 sing N N 282 +MET CB HB3 sing N N 283 +MET CG SD sing N N 284 +MET CG HG2 sing N N 285 +MET CG HG3 sing N N 286 +MET SD CE sing N N 287 +MET CE HE1 sing N N 288 +MET CE HE2 sing N N 289 +MET CE HE3 sing N N 290 +MET OXT HXT sing N N 291 +PHE N CA sing N N 292 +PHE N H sing N N 293 +PHE N H2 sing N N 294 +PHE CA C sing N N 295 +PHE CA CB sing N N 296 +PHE CA HA sing N N 297 +PHE C O doub N N 298 +PHE C OXT sing N N 299 +PHE CB CG sing N N 300 +PHE CB HB2 sing N N 301 +PHE CB HB3 sing N N 302 +PHE CG CD1 doub Y N 303 +PHE CG CD2 sing Y N 304 +PHE CD1 CE1 sing Y N 305 +PHE CD1 HD1 sing N N 306 +PHE CD2 CE2 doub Y N 307 +PHE CD2 HD2 sing N N 308 +PHE CE1 CZ doub Y N 309 +PHE CE1 HE1 sing N N 310 +PHE CE2 CZ sing Y N 311 +PHE CE2 HE2 sing N N 312 +PHE CZ HZ sing N N 313 +PHE OXT HXT sing N N 314 +PRO N CA sing N N 315 +PRO N CD sing N N 316 +PRO N H sing N N 317 +PRO CA C sing N N 318 +PRO CA CB sing N N 319 +PRO CA HA sing N N 320 +PRO C O doub N N 321 +PRO C OXT sing N N 322 +PRO CB CG sing N N 323 +PRO CB HB2 sing N N 324 +PRO CB HB3 sing N N 325 +PRO CG CD sing N N 326 +PRO CG HG2 sing N N 327 +PRO CG HG3 sing N N 328 +PRO CD HD2 sing N N 329 +PRO CD HD3 sing N N 330 +PRO OXT HXT sing N N 331 +QDD OD1 CG doub N N 332 +QDD C3 C4 doub Y N 333 +QDD C3 C2 sing Y N 334 +QDD N C2 sing N N 335 +QDD OD2 CG sing N N 336 +QDD C4 C5 sing Y N 337 +QDD C2 C7 doub Y N 338 +QDD CG CB sing N N 339 +QDD C5 C6 doub Y N 340 +QDD C7 C6 sing Y N 341 +QDD C7 N11 sing Y N 342 +QDD C6 C8 sing Y N 343 +QDD N11 C10 doub Y N 344 +QDD C10 C9 sing Y N 345 +QDD C10 C sing N N 346 +QDD C8 C9 doub Y N 347 +QDD C8 CB sing N N 348 +QDD C O doub N N 349 +QDD OD2 H1 sing N N 350 +QDD CB H5 sing N N 351 +QDD CB H3 sing N N 352 +QDD C9 H4 sing N N 353 +QDD C5 H6 sing N N 354 +QDD C4 H7 sing N N 355 +QDD C3 H8 sing N N 356 +QDD N H sing N N 357 +QDD N H2 sing N N 358 +QDD C OXT sing N N 359 +QDD OXT HXT sing N N 360 +QUJ C4 C3 doub Y N 361 +QUJ C4 C5 sing Y N 362 +QUJ C3 C2 sing Y N 363 +QUJ CE1 CD sing N N 364 +QUJ C5 C6 doub Y N 365 +QUJ C2 N sing N N 366 +QUJ C2 C7 doub Y N 367 +QUJ C6 C7 sing Y N 368 +QUJ C6 C8 sing Y N 369 +QUJ C7 N11 sing Y N 370 +QUJ OB C8 sing N N 371 +QUJ OB CG sing N N 372 +QUJ C8 C9 doub Y N 373 +QUJ N11 CA doub Y N 374 +QUJ C9 CA sing Y N 375 +QUJ CA C sing N N 376 +QUJ CG CD sing N N 377 +QUJ CD CE2 sing N N 378 +QUJ C O doub N N 379 +QUJ C3 H1 sing N N 380 +QUJ C4 H5 sing N N 381 +QUJ C5 H3 sing N N 382 +QUJ C9 H4 sing N N 383 +QUJ N H sing N N 384 +QUJ N H2 sing N N 385 +QUJ CG H8 sing N N 386 +QUJ CG H9 sing N N 387 +QUJ CD H10 sing N N 388 +QUJ CE2 H11 sing N N 389 +QUJ CE2 H12 sing N N 390 +QUJ CE2 H13 sing N N 391 +QUJ CE1 H14 sing N N 392 +QUJ CE1 H15 sing N N 393 +QUJ CE1 H16 sing N N 394 +QUJ C OXT sing N N 395 +QUJ OXT HXT sing N N 396 +QUK O C doub N N 397 +QUK C C10 sing N N 398 +QUK C10 C9 doub Y N 399 +QUK C10 N11 sing Y N 400 +QUK C9 C8 sing Y N 401 +QUK N11 C7 doub Y N 402 +QUK C8 OB sing N N 403 +QUK C8 C6 doub Y N 404 +QUK CE CD sing N N 405 +QUK C7 C6 sing Y N 406 +QUK C7 CA sing Y N 407 +QUK CG OB sing N N 408 +QUK CG CD sing N N 409 +QUK N CA sing N N 410 +QUK C6 C5 sing Y N 411 +QUK CA C3 doub Y N 412 +QUK C5 C4 doub Y N 413 +QUK C3 C4 sing Y N 414 +QUK C OXT sing N N 415 +QUK N H sing N N 416 +QUK N H2 sing N N 417 +QUK C9 H3 sing N N 418 +QUK C5 H4 sing N N 419 +QUK C4 H5 sing N N 420 +QUK C3 H6 sing N N 421 +QUK CG H7 sing N N 422 +QUK CG H8 sing N N 423 +QUK CD H9 sing N N 424 +QUK CD H10 sing N N 425 +QUK CE H11 sing N N 426 +QUK CE H12 sing N N 427 +QUK OXT HXT sing N N 428 +QUK CE N1 sing N N 429 +QUK N1 H13 sing N N 430 +QUK N1 H15 sing N N 431 +QVE N C2 sing N N 432 +QVE O C doub N N 433 +QVE C2 C3 doub Y N 434 +QVE C2 C7 sing Y N 435 +QVE N11 C7 doub Y N 436 +QVE N11 CA sing Y N 437 +QVE C CA sing N N 438 +QVE C3 C4 sing Y N 439 +QVE C7 C6 sing Y N 440 +QVE CA C9 doub Y N 441 +QVE C4 C5 doub Y N 442 +QVE C6 C5 sing Y N 443 +QVE C6 C8 doub Y N 444 +QVE C9 C8 sing Y N 445 +QVE C8 OB sing N N 446 +QVE CG OB sing N N 447 +QVE CG CD sing N N 448 +QVE OE2 CD doub N N 449 +QVE CD OE1 sing N N 450 +QVE N H2 sing N N 451 +QVE N H sing N N 452 +QVE C9 H4 sing N N 453 +QVE CG H5 sing N N 454 +QVE CG H6 sing N N 455 +QVE OE1 H7 sing N N 456 +QVE C5 H8 sing N N 457 +QVE C4 H9 sing N N 458 +QVE C3 H10 sing N N 459 +QVE C OXT sing N N 460 +QVE OXT HXT sing N N 461 +QVS OB C8 sing N N 462 +QVS C8 C9 doub Y N 463 +QVS C8 C6 sing Y N 464 +QVS C5 C6 doub Y N 465 +QVS C5 C4 sing Y N 466 +QVS C9 CA sing Y N 467 +QVS C6 C7 sing Y N 468 +QVS C4 C3 doub Y N 469 +QVS CA N11 doub Y N 470 +QVS CA C sing N N 471 +QVS C7 N11 sing Y N 472 +QVS C7 C2 doub Y N 473 +QVS C3 C2 sing Y N 474 +QVS O C doub N N 475 +QVS C2 N sing N N 476 +QVS OB H1 sing N N 477 +QVS C9 H3 sing N N 478 +QVS C5 H4 sing N N 479 +QVS C4 H5 sing N N 480 +QVS C3 H6 sing N N 481 +QVS N H sing N N 482 +QVS N H2 sing N N 483 +QVS C OXT sing N N 484 +QVS OXT HXT sing N N 485 +SER N CA sing N N 486 +SER N H sing N N 487 +SER N H2 sing N N 488 +SER CA C sing N N 489 +SER CA CB sing N N 490 +SER CA HA sing N N 491 +SER C O doub N N 492 +SER C OXT sing N N 493 +SER CB OG sing N N 494 +SER CB HB2 sing N N 495 +SER CB HB3 sing N N 496 +SER OG HG sing N N 497 +SER OXT HXT sing N N 498 +THR N CA sing N N 499 +THR N H sing N N 500 +THR N H2 sing N N 501 +THR CA C sing N N 502 +THR CA CB sing N N 503 +THR CA HA sing N N 504 +THR C O doub N N 505 +THR C OXT sing N N 506 +THR CB OG1 sing N N 507 +THR CB CG2 sing N N 508 +THR CB HB sing N N 509 +THR OG1 HG1 sing N N 510 +THR CG2 HG21 sing N N 511 +THR CG2 HG22 sing N N 512 +THR CG2 HG23 sing N N 513 +THR OXT HXT sing N N 514 +TRP N CA sing N N 515 +TRP N H sing N N 516 +TRP N H2 sing N N 517 +TRP CA C sing N N 518 +TRP CA CB sing N N 519 +TRP CA HA sing N N 520 +TRP C O doub N N 521 +TRP C OXT sing N N 522 +TRP CB CG sing N N 523 +TRP CB HB2 sing N N 524 +TRP CB HB3 sing N N 525 +TRP CG CD1 doub Y N 526 +TRP CG CD2 sing Y N 527 +TRP CD1 NE1 sing Y N 528 +TRP CD1 HD1 sing N N 529 +TRP CD2 CE2 doub Y N 530 +TRP CD2 CE3 sing Y N 531 +TRP NE1 CE2 sing Y N 532 +TRP NE1 HE1 sing N N 533 +TRP CE2 CZ2 sing Y N 534 +TRP CE3 CZ3 doub Y N 535 +TRP CE3 HE3 sing N N 536 +TRP CZ2 CH2 doub Y N 537 +TRP CZ2 HZ2 sing N N 538 +TRP CZ3 CH2 sing Y N 539 +TRP CZ3 HZ3 sing N N 540 +TRP CH2 HH2 sing N N 541 +TRP OXT HXT sing N N 542 +TYR N CA sing N N 543 +TYR N H sing N N 544 +TYR N H2 sing N N 545 +TYR CA C sing N N 546 +TYR CA CB sing N N 547 +TYR CA HA sing N N 548 +TYR C O doub N N 549 +TYR C OXT sing N N 550 +TYR CB CG sing N N 551 +TYR CB HB2 sing N N 552 +TYR CB HB3 sing N N 553 +TYR CG CD1 doub Y N 554 +TYR CG CD2 sing Y N 555 +TYR CD1 CE1 sing Y N 556 +TYR CD1 HD1 sing N N 557 +TYR CD2 CE2 doub Y N 558 +TYR CD2 HD2 sing N N 559 +TYR CE1 CZ doub Y N 560 +TYR CE1 HE1 sing N N 561 +TYR CE2 CZ sing Y N 562 +TYR CE2 HE2 sing N N 563 +TYR CZ OH sing N N 564 +TYR OH HH sing N N 565 +TYR OXT HXT sing N N 566 +VAL N CA sing N N 567 +VAL N H sing N N 568 +VAL N H2 sing N N 569 +VAL CA C sing N N 570 +VAL CA CB sing N N 571 +VAL CA HA sing N N 572 +VAL C O doub N N 573 +VAL C OXT sing N N 574 +VAL CB CG1 sing N N 575 +VAL CB CG2 sing N N 576 +VAL CB HB sing N N 577 +VAL CG1 HG11 sing N N 578 +VAL CG1 HG12 sing N N 579 +VAL CG1 HG13 sing N N 580 +VAL CG2 HG21 sing N N 581 +VAL CG2 HG22 sing N N 582 +VAL CG2 HG23 sing N N 583 +VAL OXT HXT sing N N 584 +ZY9 N C2 sing N N 585 +ZY9 C2 C7 sing N N 586 +ZY9 C6 C7 doub Y N 587 +ZY9 C6 C8 sing Y N 588 +ZY9 C7 N11 sing Y N 589 +ZY9 C8 C9 doub Y N 590 +ZY9 N11 CA doub Y N 591 +ZY9 C9 CA sing Y N 592 +ZY9 CA C sing N N 593 +ZY9 C O doub N N 594 +ZY9 C OXT sing N N 595 +ZY9 C9 H1 sing N N 596 +ZY9 C8 H6 sing N N 597 +ZY9 C6 H3 sing N N 598 +ZY9 C2 H4 sing N N 599 +ZY9 C2 H5 sing N N 600 +ZY9 N H sing N N 601 +ZY9 N H2 sing N N 602 +ZY9 OXT HXT sing N N 603 +# +_pdbx_initial_refinement_model.id 1 +_pdbx_initial_refinement_model.entity_id_list ? +_pdbx_initial_refinement_model.type 'experimental model' +_pdbx_initial_refinement_model.source_name PDB +_pdbx_initial_refinement_model.accession_code 3KS3 +_pdbx_initial_refinement_model.details ? +# +_atom_sites.entry_id 6Q9T +_atom_sites.fract_transf_matrix[1][1] 0.012610 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] -0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.012352 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] -0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.021920 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +N +O +S +ZN +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . GLY A 1 11 ? 29.396 77.381 -41.328 1.00 106.85 ? 12 GLY A N 1 +ATOM 2 C CA . GLY A 1 11 ? 28.496 78.571 -41.229 1.00 109.26 ? 12 GLY A CA 1 +ATOM 3 C C . GLY A 1 11 ? 27.108 78.216 -40.688 1.00 112.30 ? 12 GLY A C 1 +ATOM 4 O O . GLY A 1 11 ? 26.870 77.074 -40.288 1.00 110.12 ? 12 GLY A O 1 +ATOM 5 N N . PRO A 1 12 ? 26.154 79.186 -40.677 1.00 117.78 ? 13 PRO A N 1 +ATOM 6 C CA . PRO A 1 12 ? 24.851 79.047 -40.004 1.00 118.93 ? 13 PRO A CA 1 +ATOM 7 C C . PRO A 1 12 ? 24.133 77.681 -39.933 1.00 123.62 ? 13 PRO A C 1 +ATOM 8 O O . PRO A 1 12 ? 23.539 77.403 -38.882 1.00 124.57 ? 13 PRO A O 1 +ATOM 9 C CB . PRO A 1 12 ? 24.009 80.057 -40.802 1.00 117.60 ? 13 PRO A CB 1 +ATOM 10 C CG . PRO A 1 12 ? 24.974 81.201 -41.055 1.00 117.54 ? 13 PRO A CG 1 +ATOM 11 C CD . PRO A 1 12 ? 26.319 80.530 -41.267 1.00 118.73 ? 13 PRO A CD 1 +ATOM 12 N N . GLU A 1 13 ? 24.166 76.877 -41.006 1.00 131.54 ? 14 GLU A N 1 +ATOM 13 C CA . GLU A 1 13 ? 23.530 75.525 -41.062 1.00 134.84 ? 14 GLU A CA 1 +ATOM 14 C C . GLU A 1 13 ? 24.199 74.585 -40.037 1.00 136.71 ? 14 GLU A C 1 +ATOM 15 O O . GLU A 1 13 ? 23.491 73.695 -39.510 1.00 140.86 ? 14 GLU A O 1 +ATOM 16 C CB . GLU A 1 13 ? 23.586 74.941 -42.482 1.00 132.38 ? 14 GLU A CB 1 +ATOM 17 N N . HIS A 1 14 ? 25.499 74.771 -39.759 1.00 134.22 ? 15 HIS A N 1 +ATOM 18 C CA . HIS A 1 14 ? 26.333 73.895 -38.883 1.00 131.66 ? 15 HIS A CA 1 +ATOM 19 C C . HIS A 1 14 ? 26.753 74.660 -37.616 1.00 123.75 ? 15 HIS A C 1 +ATOM 20 O O . HIS A 1 14 ? 27.910 74.477 -37.142 1.00 122.78 ? 15 HIS A O 1 +ATOM 21 C CB . HIS A 1 14 ? 27.536 73.341 -39.669 1.00 135.53 ? 15 HIS A CB 1 +ATOM 22 C CG . HIS A 1 14 ? 27.190 72.881 -41.045 1.00 138.92 ? 15 HIS A CG 1 +ATOM 23 N ND1 . HIS A 1 14 ? 26.071 72.105 -41.301 1.00 139.73 ? 15 HIS A ND1 1 +ATOM 24 C CD2 . HIS A 1 14 ? 27.794 73.091 -42.235 1.00 141.74 ? 15 HIS A CD2 1 +ATOM 25 C CE1 . HIS A 1 14 ? 26.001 71.855 -42.591 1.00 143.74 ? 15 HIS A CE1 1 +ATOM 26 N NE2 . HIS A 1 14 ? 27.051 72.447 -43.186 1.00 147.19 ? 15 HIS A NE2 1 +ATOM 27 N N . TRP A 1 15 ? 25.849 75.487 -37.081 1.00 112.31 ? 16 TRP A N 1 +ATOM 28 C CA . TRP A 1 15 ? 26.031 76.183 -35.781 1.00 103.43 ? 16 TRP A CA 1 +ATOM 29 C C . TRP A 1 15 ? 25.593 75.230 -34.664 1.00 100.71 ? 16 TRP A C 1 +ATOM 30 O O . TRP A 1 15 ? 26.324 75.112 -33.682 1.00 98.19 ? 16 TRP A O 1 +ATOM 31 C CB . TRP A 1 15 ? 25.291 77.534 -35.777 1.00 96.22 ? 16 TRP A CB 1 +ATOM 32 C CG . TRP A 1 15 ? 26.040 78.633 -36.479 1.00 90.45 ? 16 TRP A CG 1 +ATOM 33 C CD1 . TRP A 1 15 ? 27.302 78.555 -37.001 1.00 88.91 ? 16 TRP A CD1 1 +ATOM 34 C CD2 . TRP A 1 15 ? 25.615 79.997 -36.696 1.00 83.77 ? 16 TRP A CD2 1 +ATOM 35 N NE1 . TRP A 1 15 ? 27.676 79.756 -37.543 1.00 85.85 ? 16 TRP A NE1 1 +ATOM 36 C CE2 . TRP A 1 15 ? 26.664 80.661 -37.370 1.00 83.65 ? 16 TRP A CE2 1 +ATOM 37 C CE3 . TRP A 1 15 ? 24.457 80.724 -36.401 1.00 81.82 ? 16 TRP A CE3 1 +ATOM 38 C CZ2 . TRP A 1 15 ? 26.584 82.003 -37.750 1.00 83.16 ? 16 TRP A CZ2 1 +ATOM 39 C CZ3 . TRP A 1 15 ? 24.382 82.054 -36.763 1.00 81.54 ? 16 TRP A CZ3 1 +ATOM 40 C CH2 . TRP A 1 15 ? 25.431 82.684 -37.433 1.00 81.95 ? 16 TRP A CH2 1 +ATOM 41 N N . HIS A 1 16 ? 24.487 74.512 -34.866 1.00 102.45 ? 17 HIS A N 1 +ATOM 42 C CA . HIS A 1 16 ? 23.947 73.481 -33.937 1.00 105.84 ? 17 HIS A CA 1 +ATOM 43 C C . HIS A 1 16 ? 25.033 72.476 -33.500 1.00 104.47 ? 17 HIS A C 1 +ATOM 44 O O . HIS A 1 16 ? 24.842 71.857 -32.426 1.00 110.77 ? 17 HIS A O 1 +ATOM 45 C CB . HIS A 1 16 ? 22.720 72.779 -34.549 1.00 110.11 ? 17 HIS A CB 1 +ATOM 46 C CG . HIS A 1 16 ? 23.018 72.065 -35.821 1.00 118.62 ? 17 HIS A CG 1 +ATOM 47 N ND1 . HIS A 1 16 ? 24.028 71.123 -35.917 1.00 123.60 ? 17 HIS A ND1 1 +ATOM 48 C CD2 . HIS A 1 16 ? 22.464 72.160 -37.050 1.00 125.41 ? 17 HIS A CD2 1 +ATOM 49 C CE1 . HIS A 1 16 ? 24.088 70.670 -37.154 1.00 131.39 ? 17 HIS A CE1 1 +ATOM 50 N NE2 . HIS A 1 16 ? 23.131 71.288 -37.872 1.00 132.71 ? 17 HIS A NE2 1 +ATOM 51 N N . LYS A 1 17 ? 26.110 72.270 -34.272 1.00 98.90 ? 18 LYS A N 1 +ATOM 52 C CA . LYS A 1 17 ? 27.211 71.360 -33.850 1.00 94.75 ? 18 LYS A CA 1 +ATOM 53 C C . LYS A 1 17 ? 27.894 71.851 -32.575 1.00 91.81 ? 18 LYS A C 1 +ATOM 54 O O . LYS A 1 17 ? 27.728 71.188 -31.519 1.00 90.07 ? 18 LYS A O 1 +ATOM 55 C CB . LYS A 1 17 ? 28.311 71.210 -34.904 1.00 94.20 ? 18 LYS A CB 1 +ATOM 56 N N . ASP A 1 18 ? 28.564 73.006 -32.663 1.00 90.11 ? 19 ASP A N 1 +ATOM 57 C CA . ASP A 1 18 ? 29.447 73.555 -31.593 1.00 88.22 ? 19 ASP A CA 1 +ATOM 58 C C . ASP A 1 18 ? 28.580 74.301 -30.560 1.00 80.62 ? 19 ASP A C 1 +ATOM 59 O O . ASP A 1 18 ? 29.060 74.411 -29.383 1.00 77.21 ? 19 ASP A O 1 +ATOM 60 C CB . ASP A 1 18 ? 30.538 74.479 -32.139 1.00 93.30 ? 19 ASP A CB 1 +ATOM 61 C CG . ASP A 1 18 ? 31.530 73.800 -33.075 1.00 99.25 ? 19 ASP A CG 1 +ATOM 62 O OD1 . ASP A 1 18 ? 31.230 72.672 -33.546 1.00 103.48 ? 19 ASP A OD1 1 +ATOM 63 O OD2 . ASP A 1 18 ? 32.593 74.411 -33.338 1.00 101.08 ? 19 ASP A OD2 1 +ATOM 64 N N . PHE A 1 19 ? 27.374 74.769 -30.957 1.00 76.59 ? 20 PHE A N 1 +ATOM 65 C CA . PHE A 1 19 ? 26.456 75.639 -30.163 1.00 71.60 ? 20 PHE A CA 1 +ATOM 66 C C . PHE A 1 19 ? 25.027 75.111 -30.198 1.00 69.40 ? 20 PHE A C 1 +ATOM 67 O O . PHE A 1 19 ? 24.189 75.594 -30.951 1.00 68.65 ? 20 PHE A O 1 +ATOM 68 C CB . PHE A 1 19 ? 26.463 77.067 -30.709 1.00 69.94 ? 20 PHE A CB 1 +ATOM 69 C CG . PHE A 1 19 ? 27.769 77.783 -30.520 1.00 69.29 ? 20 PHE A CG 1 +ATOM 70 C CD1 . PHE A 1 19 ? 28.776 77.658 -31.458 1.00 70.63 ? 20 PHE A CD1 1 +ATOM 71 C CD2 . PHE A 1 19 ? 28.006 78.530 -29.374 1.00 70.30 ? 20 PHE A CD2 1 +ATOM 72 C CE1 . PHE A 1 19 ? 29.996 78.282 -31.263 1.00 72.82 ? 20 PHE A CE1 1 +ATOM 73 C CE2 . PHE A 1 19 ? 29.225 79.161 -29.178 1.00 70.75 ? 20 PHE A CE2 1 +ATOM 74 C CZ . PHE A 1 19 ? 30.214 79.039 -30.129 1.00 74.32 ? 20 PHE A CZ 1 +ATOM 75 N N . PRO A 1 20 ? 24.689 74.108 -29.376 1.00 69.43 ? 21 PRO A N 1 +ATOM 76 C CA . PRO A 1 20 ? 23.362 73.497 -29.440 1.00 71.79 ? 21 PRO A CA 1 +ATOM 77 C C . PRO A 1 20 ? 22.202 74.331 -28.860 1.00 73.66 ? 21 PRO A C 1 +ATOM 78 O O . PRO A 1 20 ? 21.039 73.876 -28.966 1.00 76.05 ? 21 PRO A O 1 +ATOM 79 C CB . PRO A 1 20 ? 23.528 72.165 -28.694 1.00 72.63 ? 21 PRO A CB 1 +ATOM 80 C CG . PRO A 1 20 ? 24.785 72.321 -27.853 1.00 72.46 ? 21 PRO A CG 1 +ATOM 81 C CD . PRO A 1 20 ? 25.602 73.446 -28.443 1.00 70.95 ? 21 PRO A CD 1 +ATOM 82 N N . ILE A 1 21 ? 22.480 75.524 -28.303 1.00 70.64 ? 22 ILE A N 1 +ATOM 83 C CA . ILE A 1 21 ? 21.404 76.508 -27.972 1.00 66.90 ? 22 ILE A CA 1 +ATOM 84 C C . ILE A 1 21 ? 20.701 76.853 -29.290 1.00 66.98 ? 22 ILE A C 1 +ATOM 85 O O . ILE A 1 21 ? 19.528 77.244 -29.240 1.00 65.87 ? 22 ILE A O 1 +ATOM 86 C CB . ILE A 1 21 ? 21.946 77.747 -27.225 1.00 67.29 ? 22 ILE A CB 1 +ATOM 87 C CG1 . ILE A 1 21 ? 20.845 78.642 -26.644 1.00 64.82 ? 22 ILE A CG1 1 +ATOM 88 C CG2 . ILE A 1 21 ? 22.880 78.562 -28.111 1.00 70.03 ? 22 ILE A CG2 1 +ATOM 89 C CD1 . ILE A 1 21 ? 19.982 77.980 -25.609 1.00 65.01 ? 22 ILE A CD1 1 +ATOM 90 N N . ALA A 1 22 ? 21.373 76.638 -30.430 1.00 67.56 ? 23 ALA A N 1 +ATOM 91 C CA . ALA A 1 22 ? 20.890 77.002 -31.785 1.00 68.26 ? 23 ALA A CA 1 +ATOM 92 C C . ALA A 1 22 ? 19.528 76.357 -32.117 1.00 70.78 ? 23 ALA A C 1 +ATOM 93 O O . ALA A 1 22 ? 18.759 76.950 -32.894 1.00 69.84 ? 23 ALA A O 1 +ATOM 94 C CB . ALA A 1 22 ? 21.945 76.642 -32.788 1.00 67.55 ? 23 ALA A CB 1 +ATOM 95 N N . LYS A 1 23 ? 19.204 75.192 -31.552 1.00 74.85 ? 24 LYS A N 1 +ATOM 96 C CA . LYS A 1 23 ? 17.885 74.534 -31.769 1.00 77.14 ? 24 LYS A CA 1 +ATOM 97 C C . LYS A 1 23 ? 16.949 74.939 -30.621 1.00 78.20 ? 24 LYS A C 1 +ATOM 98 O O . LYS A 1 23 ? 15.940 74.246 -30.407 1.00 84.72 ? 24 LYS A O 1 +ATOM 99 C CB . LYS A 1 23 ? 18.054 73.012 -31.886 1.00 76.54 ? 24 LYS A CB 1 +ATOM 100 N N . GLY A 1 24 ? 17.266 76.024 -29.909 1.00 76.42 ? 25 GLY A N 1 +ATOM 101 C CA . GLY A 1 24 ? 16.557 76.444 -28.680 1.00 75.78 ? 25 GLY A CA 1 +ATOM 102 C C . GLY A 1 24 ? 15.172 77.024 -28.967 1.00 74.17 ? 25 GLY A C 1 +ATOM 103 O O . GLY A 1 24 ? 14.798 77.216 -30.173 1.00 72.62 ? 25 GLY A O 1 +ATOM 104 N N . GLU A 1 25 ? 14.437 77.318 -27.893 1.00 72.16 ? 26 GLU A N 1 +ATOM 105 C CA . GLU A 1 25 ? 13.002 77.687 -27.965 1.00 74.90 ? 26 GLU A CA 1 +ATOM 106 C C . GLU A 1 25 ? 12.822 79.216 -28.114 1.00 73.39 ? 26 GLU A C 1 +ATOM 107 O O . GLU A 1 25 ? 11.640 79.626 -28.250 1.00 72.31 ? 26 GLU A O 1 +ATOM 108 C CB . GLU A 1 25 ? 12.274 77.086 -26.755 1.00 77.43 ? 26 GLU A CB 1 +ATOM 109 C CG . GLU A 1 25 ? 11.745 75.672 -27.007 1.00 79.35 ? 26 GLU A CG 1 +ATOM 110 N N . ARG A 1 26 ? 13.926 80.000 -28.157 1.00 71.21 ? 27 ARG A N 1 +ATOM 111 C CA . ARG A 1 26 ? 13.969 81.496 -28.183 1.00 68.38 ? 27 ARG A CA 1 +ATOM 112 C C . ARG A 1 26 ? 15.039 82.048 -29.140 1.00 63.49 ? 27 ARG A C 1 +ATOM 113 O O . ARG A 1 26 ? 15.674 83.047 -28.806 1.00 61.03 ? 27 ARG A O 1 +ATOM 114 C CB . ARG A 1 26 ? 14.338 82.045 -26.804 1.00 71.54 ? 27 ARG A CB 1 +ATOM 115 C CG . ARG A 1 26 ? 13.164 82.281 -25.875 1.00 78.47 ? 27 ARG A CG 1 +ATOM 116 C CD . ARG A 1 26 ? 13.657 83.019 -24.648 1.00 85.40 ? 27 ARG A CD 1 +ATOM 117 N NE . ARG A 1 26 ? 13.685 82.159 -23.473 1.00 91.43 ? 27 ARG A NE 1 +ATOM 118 C CZ . ARG A 1 26 ? 14.539 82.280 -22.460 1.00 97.43 ? 27 ARG A CZ 1 +ATOM 119 N NH1 . ARG A 1 26 ? 15.472 83.221 -22.469 1.00 96.95 ? 27 ARG A NH1 1 +ATOM 120 N NH2 . ARG A 1 26 ? 14.464 81.443 -21.438 1.00 103.36 ? 27 ARG A NH2 1 +ATOM 121 N N . GLN A 1 27 ? 15.257 81.466 -30.309 1.00 63.06 ? 28 GLN A N 1 +ATOM 122 C CA . GLN A 1 27 ? 16.400 81.895 -31.154 1.00 60.95 ? 28 GLN A CA 1 +ATOM 123 C C . GLN A 1 27 ? 15.954 83.064 -32.022 1.00 58.67 ? 28 GLN A C 1 +ATOM 124 O O . GLN A 1 27 ? 14.767 83.227 -32.163 1.00 57.95 ? 28 GLN A O 1 +ATOM 125 C CB . GLN A 1 27 ? 16.936 80.695 -31.916 1.00 62.22 ? 28 GLN A CB 1 +ATOM 126 C CG . GLN A 1 27 ? 17.678 79.732 -31.005 1.00 63.13 ? 28 GLN A CG 1 +ATOM 127 C CD . GLN A 1 27 ? 19.007 80.288 -30.562 1.00 64.21 ? 28 GLN A CD 1 +ATOM 128 O OE1 . GLN A 1 27 ? 19.818 80.712 -31.387 1.00 67.12 ? 28 GLN A OE1 1 +ATOM 129 N NE2 . GLN A 1 27 ? 19.239 80.289 -29.255 1.00 61.95 ? 28 GLN A NE2 1 +ATOM 130 N N . SER A 1 28 ? 16.900 83.862 -32.519 1.00 60.37 ? 29 SER A N 1 +ATOM 131 C CA . SER A 1 28 ? 16.694 85.093 -33.340 1.00 61.57 ? 29 SER A CA 1 +ATOM 132 C C . SER A 1 28 ? 17.587 85.060 -34.584 1.00 59.62 ? 29 SER A C 1 +ATOM 133 O O . SER A 1 28 ? 18.669 84.484 -34.531 1.00 57.14 ? 29 SER A O 1 +ATOM 134 C CB . SER A 1 28 ? 16.998 86.296 -32.491 1.00 61.46 ? 29 SER A CB 1 +ATOM 135 O OG . SER A 1 28 ? 16.257 86.252 -31.283 1.00 62.03 ? 29 SER A OG 1 +ATOM 136 N N . PRO A 1 29 ? 17.236 85.694 -35.733 1.00 61.20 ? 30 PRO A N 1 +ATOM 137 C CA . PRO A 1 29 ? 16.080 86.581 -35.882 1.00 60.98 ? 30 PRO A CA 1 +ATOM 138 C C . PRO A 1 29 ? 14.793 85.843 -36.199 1.00 62.37 ? 30 PRO A C 1 +ATOM 139 O O . PRO A 1 29 ? 14.893 84.687 -36.401 1.00 64.44 ? 30 PRO A O 1 +ATOM 140 C CB . PRO A 1 29 ? 16.433 87.371 -37.140 1.00 60.42 ? 30 PRO A CB 1 +ATOM 141 C CG . PRO A 1 29 ? 17.109 86.335 -37.980 1.00 61.78 ? 30 PRO A CG 1 +ATOM 142 C CD . PRO A 1 29 ? 17.981 85.586 -37.001 1.00 61.17 ? 30 PRO A CD 1 +ATOM 143 N N . VAL A 1 30 ? 13.674 86.555 -36.287 1.00 65.96 ? 31 VAL A N 1 +ATOM 144 C CA . VAL A 1 30 ? 12.337 85.968 -36.613 1.00 72.13 ? 31 VAL A CA 1 +ATOM 145 C C . VAL A 1 30 ? 11.683 86.790 -37.728 1.00 76.46 ? 31 VAL A C 1 +ATOM 146 O O . VAL A 1 30 ? 12.079 87.951 -37.920 1.00 79.27 ? 31 VAL A O 1 +ATOM 147 C CB . VAL A 1 30 ? 11.422 85.851 -35.373 1.00 71.17 ? 31 VAL A CB 1 +ATOM 148 C CG1 . VAL A 1 30 ? 12.013 84.877 -34.370 1.00 70.05 ? 31 VAL A CG1 1 +ATOM 149 C CG2 . VAL A 1 30 ? 11.116 87.188 -34.712 1.00 71.04 ? 31 VAL A CG2 1 +ATOM 150 N N . ASP A 1 31 ? 10.753 86.188 -38.466 1.00 81.17 ? 32 ASP A N 1 +ATOM 151 C CA . ASP A 1 31 ? 9.873 86.943 -39.385 1.00 86.07 ? 32 ASP A CA 1 +ATOM 152 C C . ASP A 1 31 ? 8.800 87.618 -38.522 1.00 85.47 ? 32 ASP A C 1 +ATOM 153 O O . ASP A 1 31 ? 8.454 87.048 -37.461 1.00 83.48 ? 32 ASP A O 1 +ATOM 154 C CB . ASP A 1 31 ? 9.297 86.053 -40.487 1.00 93.09 ? 32 ASP A CB 1 +ATOM 155 C CG . ASP A 1 31 ? 8.520 86.845 -41.527 1.00 98.87 ? 32 ASP A CG 1 +ATOM 156 O OD1 . ASP A 1 31 ? 9.131 87.748 -42.157 1.00 99.66 ? 32 ASP A OD1 1 +ATOM 157 O OD2 . ASP A 1 31 ? 7.301 86.591 -41.666 1.00 105.26 ? 32 ASP A OD2 1 +ATOM 158 N N . ILE A 1 32 ? 8.328 88.798 -38.944 1.00 85.38 ? 33 ILE A N 1 +ATOM 159 C CA . ILE A 1 32 ? 7.306 89.603 -38.220 1.00 84.36 ? 33 ILE A CA 1 +ATOM 160 C C . ILE A 1 32 ? 6.079 89.723 -39.112 1.00 90.68 ? 33 ILE A C 1 +ATOM 161 O O . ILE A 1 32 ? 5.919 90.775 -39.749 1.00 91.91 ? 33 ILE A O 1 +ATOM 162 C CB . ILE A 1 32 ? 7.853 90.981 -37.823 1.00 80.78 ? 33 ILE A CB 1 +ATOM 163 C CG1 . ILE A 1 32 ? 9.244 90.870 -37.192 1.00 77.85 ? 33 ILE A CG1 1 +ATOM 164 C CG2 . ILE A 1 32 ? 6.860 91.680 -36.906 1.00 79.44 ? 33 ILE A CG2 1 +ATOM 165 C CD1 . ILE A 1 32 ? 9.839 92.188 -36.798 1.00 76.53 ? 33 ILE A CD1 1 +ATOM 166 N N . ASP A 1 33 ? 5.267 88.663 -39.160 1.00 97.50 ? 34 ASP A N 1 +ATOM 167 C CA . ASP A 1 33 ? 3.913 88.679 -39.780 1.00 102.19 ? 34 ASP A CA 1 +ATOM 168 C C . ASP A 1 33 ? 3.041 89.642 -38.954 1.00 103.09 ? 34 ASP A C 1 +ATOM 169 O O . ASP A 1 33 ? 2.715 89.332 -37.767 1.00 102.54 ? 34 ASP A O 1 +ATOM 170 C CB . ASP A 1 33 ? 3.354 87.258 -39.929 1.00 103.25 ? 34 ASP A CB 1 +ATOM 171 C CG . ASP A 1 33 ? 1.862 87.206 -40.205 1.00 104.40 ? 34 ASP A CG 1 +ATOM 172 O OD1 . ASP A 1 33 ? 1.257 88.294 -40.399 1.00 105.49 ? 34 ASP A OD1 1 +ATOM 173 O OD2 . ASP A 1 33 ? 1.313 86.079 -40.178 1.00 101.61 ? 34 ASP A OD2 1 +ATOM 174 N N . THR A 1 34 ? 2.698 90.779 -39.561 1.00 100.40 ? 35 THR A N 1 +ATOM 175 C CA . THR A 1 34 ? 2.082 91.957 -38.905 1.00 101.07 ? 35 THR A CA 1 +ATOM 176 C C . THR A 1 34 ? 0.642 91.663 -38.455 1.00 106.71 ? 35 THR A C 1 +ATOM 177 O O . THR A 1 34 ? 0.174 92.373 -37.535 1.00 104.34 ? 35 THR A O 1 +ATOM 178 C CB . THR A 1 34 ? 2.151 93.145 -39.862 1.00 100.30 ? 35 THR A CB 1 +ATOM 179 O OG1 . THR A 1 34 ? 1.683 92.636 -41.110 1.00 100.05 ? 35 THR A OG1 1 +ATOM 180 C CG2 . THR A 1 34 ? 3.547 93.711 -39.994 1.00 97.63 ? 35 THR A CG2 1 +ATOM 181 N N . HIS A 1 35 ? -0.037 90.678 -39.065 1.00 113.79 ? 36 HIS A N 1 +ATOM 182 C CA . HIS A 1 35 ? -1.440 90.290 -38.721 1.00 118.85 ? 36 HIS A CA 1 +ATOM 183 C C . HIS A 1 35 ? -1.497 89.741 -37.286 1.00 113.76 ? 36 HIS A C 1 +ATOM 184 O O . HIS A 1 35 ? -2.430 90.121 -36.551 1.00 112.27 ? 36 HIS A O 1 +ATOM 185 C CB . HIS A 1 35 ? -2.040 89.284 -39.725 1.00 124.80 ? 36 HIS A CB 1 +ATOM 186 C CG . HIS A 1 35 ? -2.162 89.801 -41.119 1.00 130.80 ? 36 HIS A CG 1 +ATOM 187 N ND1 . HIS A 1 35 ? -1.414 89.283 -42.166 1.00 135.76 ? 36 HIS A ND1 1 +ATOM 188 C CD2 . HIS A 1 35 ? -2.919 90.789 -41.643 1.00 132.37 ? 36 HIS A CD2 1 +ATOM 189 C CE1 . HIS A 1 35 ? -1.713 89.927 -43.276 1.00 138.22 ? 36 HIS A CE1 1 +ATOM 190 N NE2 . HIS A 1 35 ? -2.632 90.858 -42.980 1.00 138.08 ? 36 HIS A NE2 1 +ATOM 191 N N . THR A 1 36 ? -0.545 88.878 -36.908 1.00 108.36 ? 37 THR A N 1 +ATOM 192 C CA . THR A 1 36 ? -0.521 88.160 -35.606 1.00 103.03 ? 37 THR A CA 1 +ATOM 193 C C . THR A 1 36 ? 0.138 89.064 -34.561 1.00 101.78 ? 37 THR A C 1 +ATOM 194 O O . THR A 1 36 ? -0.147 88.876 -33.370 1.00 102.47 ? 37 THR A O 1 +ATOM 195 C CB . THR A 1 36 ? 0.180 86.800 -35.731 1.00 95.60 ? 37 THR A CB 1 +ATOM 196 N N . ALA A 1 37 ? 0.980 90.014 -34.986 1.00 100.11 ? 38 ALA A N 1 +ATOM 197 C CA . ALA A 1 37 ? 1.801 90.857 -34.082 1.00 96.31 ? 38 ALA A CA 1 +ATOM 198 C C . ALA A 1 37 ? 0.898 91.868 -33.373 1.00 92.43 ? 38 ALA A C 1 +ATOM 199 O O . ALA A 1 37 ? 0.826 93.014 -33.840 1.00 91.54 ? 38 ALA A O 1 +ATOM 200 C CB . ALA A 1 37 ? 2.889 91.551 -34.862 1.00 96.70 ? 38 ALA A CB 1 +ATOM 201 N N . LYS A 1 38 ? 0.226 91.453 -32.298 1.00 88.91 ? 39 LYS A N 1 +ATOM 202 C CA . LYS A 1 38 ? -0.914 92.219 -31.728 1.00 89.32 ? 39 LYS A CA 1 +ATOM 203 C C . LYS A 1 38 ? -0.342 93.400 -30.927 1.00 87.16 ? 39 LYS A C 1 +ATOM 204 O O . LYS A 1 38 ? 0.630 93.203 -30.173 1.00 85.69 ? 39 LYS A O 1 +ATOM 205 C CB . LYS A 1 38 ? -1.874 91.310 -30.937 1.00 90.54 ? 39 LYS A CB 1 +ATOM 206 C CG . LYS A 1 38 ? -3.198 90.967 -31.624 1.00 90.38 ? 39 LYS A CG 1 +ATOM 207 N N . TYR A 1 39 ? -0.917 94.589 -31.132 1.00 85.94 ? 40 TYR A N 1 +ATOM 208 C CA . TYR A 1 39 ? -0.547 95.857 -30.464 1.00 84.25 ? 40 TYR A CA 1 +ATOM 209 C C . TYR A 1 39 ? -0.782 95.731 -28.962 1.00 85.42 ? 40 TYR A C 1 +ATOM 210 O O . TYR A 1 39 ? -1.928 95.585 -28.575 1.00 88.32 ? 40 TYR A O 1 +ATOM 211 C CB . TYR A 1 39 ? -1.388 97.009 -31.014 1.00 86.72 ? 40 TYR A CB 1 +ATOM 212 C CG . TYR A 1 39 ? -1.465 98.193 -30.083 1.00 89.58 ? 40 TYR A CG 1 +ATOM 213 C CD1 . TYR A 1 39 ? -0.388 99.047 -29.921 1.00 90.50 ? 40 TYR A CD1 1 +ATOM 214 C CD2 . TYR A 1 39 ? -2.598 98.445 -29.333 1.00 91.72 ? 40 TYR A CD2 1 +ATOM 215 C CE1 . TYR A 1 39 ? -0.440 100.133 -29.061 1.00 90.47 ? 40 TYR A CE1 1 +ATOM 216 C CE2 . TYR A 1 39 ? -2.667 99.526 -28.472 1.00 93.21 ? 40 TYR A CE2 1 +ATOM 217 C CZ . TYR A 1 39 ? -1.586 100.374 -28.332 1.00 91.42 ? 40 TYR A CZ 1 +ATOM 218 O OH . TYR A 1 39 ? -1.645 101.424 -27.463 1.00 91.52 ? 40 TYR A OH 1 +ATOM 219 N N . ASP A 1 40 ? 0.268 95.836 -28.154 1.00 86.88 ? 41 ASP A N 1 +ATOM 220 C CA . ASP A 1 40 ? 0.197 95.850 -26.667 1.00 90.70 ? 41 ASP A CA 1 +ATOM 221 C C . ASP A 1 40 ? 0.278 97.299 -26.182 1.00 91.89 ? 41 ASP A C 1 +ATOM 222 O O . ASP A 1 40 ? 1.252 97.999 -26.426 1.00 94.41 ? 41 ASP A O 1 +ATOM 223 C CB . ASP A 1 40 ? 1.301 94.958 -26.081 1.00 91.13 ? 41 ASP A CB 1 +ATOM 224 C CG . ASP A 1 40 ? 1.369 94.915 -24.560 1.00 90.81 ? 41 ASP A CG 1 +ATOM 225 O OD1 . ASP A 1 40 ? 0.697 95.768 -23.916 1.00 94.18 ? 41 ASP A OD1 1 +ATOM 226 O OD2 . ASP A 1 40 ? 2.100 94.032 -24.028 1.00 83.74 ? 41 ASP A OD2 1 +ATOM 227 N N . PRO A 1 41 ? -0.724 97.822 -25.453 1.00 95.32 ? 42 PRO A N 1 +ATOM 228 C CA . PRO A 1 41 ? -0.671 99.203 -24.989 1.00 95.11 ? 42 PRO A CA 1 +ATOM 229 C C . PRO A 1 41 ? -0.069 99.350 -23.584 1.00 92.57 ? 42 PRO A C 1 +ATOM 230 O O . PRO A 1 41 ? -0.041 100.463 -23.091 1.00 93.68 ? 42 PRO A O 1 +ATOM 231 C CB . PRO A 1 41 ? -2.159 99.546 -24.954 1.00 97.93 ? 42 PRO A CB 1 +ATOM 232 C CG . PRO A 1 41 ? -2.776 98.266 -24.421 1.00 100.82 ? 42 PRO A CG 1 +ATOM 233 C CD . PRO A 1 41 ? -1.954 97.143 -25.027 1.00 99.06 ? 42 PRO A CD 1 +ATOM 234 N N . SER A 1 42 ? 0.356 98.258 -22.946 1.00 87.57 ? 43 SER A N 1 +ATOM 235 C CA . SER A 1 42 ? 1.047 98.335 -21.631 1.00 87.44 ? 43 SER A CA 1 +ATOM 236 C C . SER A 1 42 ? 2.521 98.701 -21.865 1.00 85.59 ? 43 SER A C 1 +ATOM 237 O O . SER A 1 42 ? 3.181 99.189 -20.933 1.00 86.68 ? 43 SER A O 1 +ATOM 238 C CB . SER A 1 42 ? 0.886 97.080 -20.824 1.00 86.67 ? 43 SER A CB 1 +ATOM 239 O OG . SER A 1 42 ? 1.504 95.986 -21.476 1.00 87.46 ? 43 SER A OG 1 +ATOM 240 N N . LEU A 1 43 ? 3.016 98.488 -23.084 1.00 84.68 ? 44 LEU A N 1 +ATOM 241 C CA . LEU A 1 43 ? 4.356 98.949 -23.523 1.00 80.68 ? 44 LEU A CA 1 +ATOM 242 C C . LEU A 1 43 ? 4.435 100.454 -23.282 1.00 81.10 ? 44 LEU A C 1 +ATOM 243 O O . LEU A 1 43 ? 3.755 101.168 -24.037 1.00 82.61 ? 44 LEU A O 1 +ATOM 244 C CB . LEU A 1 43 ? 4.547 98.659 -25.019 1.00 77.34 ? 44 LEU A CB 1 +ATOM 245 C CG . LEU A 1 43 ? 4.751 97.200 -25.423 1.00 73.54 ? 44 LEU A CG 1 +ATOM 246 C CD1 . LEU A 1 43 ? 4.921 97.077 -26.930 1.00 73.40 ? 44 LEU A CD1 1 +ATOM 247 C CD2 . LEU A 1 43 ? 5.941 96.592 -24.716 1.00 70.46 ? 44 LEU A CD2 1 +ATOM 248 N N . LYS A 1 44 ? 5.212 100.900 -22.282 1.00 80.35 ? 45 LYS A N 1 +ATOM 249 C CA . LYS A 1 44 ? 5.603 102.327 -22.118 1.00 78.45 ? 45 LYS A CA 1 +ATOM 250 C C . LYS A 1 44 ? 6.351 102.704 -23.392 1.00 77.31 ? 45 LYS A C 1 +ATOM 251 O O . LYS A 1 44 ? 6.594 101.848 -24.240 1.00 74.65 ? 45 LYS A O 1 +ATOM 252 C CB . LYS A 1 44 ? 6.391 102.548 -20.822 1.00 76.49 ? 45 LYS A CB 1 +ATOM 253 N N . PRO A 1 45 ? 6.646 103.998 -23.623 1.00 80.18 ? 46 PRO A N 1 +ATOM 254 C CA . PRO A 1 45 ? 7.330 104.428 -24.841 1.00 76.76 ? 46 PRO A CA 1 +ATOM 255 C C . PRO A 1 45 ? 8.839 104.435 -24.607 1.00 73.29 ? 46 PRO A C 1 +ATOM 256 O O . PRO A 1 45 ? 9.261 104.316 -23.460 1.00 77.53 ? 46 PRO A O 1 +ATOM 257 C CB . PRO A 1 45 ? 6.836 105.863 -25.056 1.00 79.76 ? 46 PRO A CB 1 +ATOM 258 C CG . PRO A 1 45 ? 6.524 106.357 -23.632 1.00 83.20 ? 46 PRO A CG 1 +ATOM 259 C CD . PRO A 1 45 ? 6.314 105.133 -22.747 1.00 82.56 ? 46 PRO A CD 1 +ATOM 260 N N . LEU A 1 46 ? 9.593 104.636 -25.679 1.00 68.97 ? 47 LEU A N 1 +ATOM 261 C CA . LEU A 1 46 ? 11.020 104.245 -25.773 1.00 66.77 ? 47 LEU A CA 1 +ATOM 262 C C . LEU A 1 46 ? 11.877 105.464 -25.454 1.00 65.11 ? 47 LEU A C 1 +ATOM 263 O O . LEU A 1 46 ? 11.864 106.396 -26.265 1.00 65.83 ? 47 LEU A O 1 +ATOM 264 C CB . LEU A 1 46 ? 11.262 103.741 -27.200 1.00 67.40 ? 47 LEU A CB 1 +ATOM 265 C CG . LEU A 1 46 ? 12.503 102.883 -27.428 1.00 68.40 ? 47 LEU A CG 1 +ATOM 266 C CD1 . LEU A 1 46 ? 12.573 101.762 -26.405 1.00 68.82 ? 47 LEU A CD1 1 +ATOM 267 C CD2 . LEU A 1 46 ? 12.506 102.313 -28.850 1.00 68.81 ? 47 LEU A CD2 1 +ATOM 268 N N . SER A 1 47 ? 12.605 105.456 -24.335 1.00 63.36 ? 48 SER A N 1 +ATOM 269 C CA . SER A 1 47 ? 13.524 106.561 -23.955 1.00 59.88 ? 48 SER A CA 1 +ATOM 270 C C . SER A 1 47 ? 14.972 106.187 -24.297 1.00 57.07 ? 48 SER A C 1 +ATOM 271 O O . SER A 1 47 ? 15.349 105.036 -24.100 1.00 55.09 ? 48 SER A O 1 +ATOM 272 C CB . SER A 1 47 ? 13.338 106.937 -22.520 1.00 61.16 ? 48 SER A CB 1 +ATOM 273 O OG . SER A 1 47 ? 14.554 107.402 -21.963 1.00 64.17 ? 48 SER A OG 1 +ATOM 274 N N . VAL A 1 48 ? 15.734 107.153 -24.810 1.00 57.47 ? 49 VAL A N 1 +ATOM 275 C CA . VAL A 1 48 ? 17.097 107.009 -25.403 1.00 56.92 ? 49 VAL A CA 1 +ATOM 276 C C . VAL A 1 48 ? 17.943 108.220 -24.985 1.00 59.70 ? 49 VAL A C 1 +ATOM 277 O O . VAL A 1 48 ? 17.823 109.290 -25.583 1.00 62.70 ? 49 VAL A O 1 +ATOM 278 C CB . VAL A 1 48 ? 17.032 106.908 -26.940 1.00 55.21 ? 49 VAL A CB 1 +ATOM 279 C CG1 . VAL A 1 48 ? 18.423 106.747 -27.496 1.00 56.73 ? 49 VAL A CG1 1 +ATOM 280 C CG2 . VAL A 1 48 ? 16.181 105.748 -27.414 1.00 54.67 ? 49 VAL A CG2 1 +ATOM 281 N N . SER A 1 49 ? 18.801 108.084 -23.992 1.00 63.34 ? 50 SER A N 1 +ATOM 282 C CA . SER A 1 49 ? 19.631 109.216 -23.522 1.00 66.06 ? 50 SER A CA 1 +ATOM 283 C C . SER A 1 49 ? 21.062 109.000 -24.026 1.00 66.06 ? 50 SER A C 1 +ATOM 284 O O . SER A 1 49 ? 21.820 108.315 -23.370 1.00 64.87 ? 50 SER A O 1 +ATOM 285 C CB . SER A 1 49 ? 19.530 109.358 -22.023 1.00 68.68 ? 50 SER A CB 1 +ATOM 286 O OG . SER A 1 49 ? 19.899 110.681 -21.631 1.00 71.85 ? 50 SER A OG 1 +ATOM 287 N N . TYR A 1 50 ? 21.389 109.501 -25.214 1.00 68.38 ? 51 TYR A N 1 +ATOM 288 C CA . TYR A 1 50 ? 22.700 109.206 -25.846 1.00 68.90 ? 51 TYR A CA 1 +ATOM 289 C C . TYR A 1 50 ? 23.540 110.465 -26.015 1.00 72.50 ? 51 TYR A C 1 +ATOM 290 O O . TYR A 1 50 ? 24.517 110.447 -26.756 1.00 70.91 ? 51 TYR A O 1 +ATOM 291 C CB . TYR A 1 50 ? 22.430 108.786 -27.284 1.00 65.26 ? 51 TYR A CB 1 +ATOM 292 C CG . TYR A 1 50 ? 21.948 107.377 -27.484 1.00 64.85 ? 51 TYR A CG 1 +ATOM 293 C CD1 . TYR A 1 50 ? 21.775 106.504 -26.428 1.00 64.37 ? 51 TYR A CD1 1 +ATOM 294 C CD2 . TYR A 1 50 ? 21.684 106.916 -28.756 1.00 66.34 ? 51 TYR A CD2 1 +ATOM 295 C CE1 . TYR A 1 50 ? 21.345 105.206 -26.636 1.00 65.06 ? 51 TYR A CE1 1 +ATOM 296 C CE2 . TYR A 1 50 ? 21.259 105.623 -28.985 1.00 65.30 ? 51 TYR A CE2 1 +ATOM 297 C CZ . TYR A 1 50 ? 21.093 104.762 -27.922 1.00 65.50 ? 51 TYR A CZ 1 +ATOM 298 O OH . TYR A 1 50 ? 20.675 103.493 -28.182 1.00 62.99 ? 51 TYR A OH 1 +ATOM 299 N N . ASP A 1 51 ? 23.170 111.498 -25.283 1.00 79.48 ? 52 ASP A N 1 +ATOM 300 C CA . ASP A 1 51 ? 23.720 112.877 -25.373 1.00 85.64 ? 52 ASP A CA 1 +ATOM 301 C C . ASP A 1 51 ? 25.191 112.858 -24.924 1.00 86.08 ? 52 ASP A C 1 +ATOM 302 O O . ASP A 1 51 ? 25.938 113.780 -25.309 1.00 88.72 ? 52 ASP A O 1 +ATOM 303 C CB . ASP A 1 51 ? 22.831 113.842 -24.568 1.00 93.52 ? 52 ASP A CB 1 +ATOM 304 C CG . ASP A 1 51 ? 22.844 115.315 -24.995 1.00 101.80 ? 52 ASP A CG 1 +ATOM 305 O OD1 . ASP A 1 51 ? 23.944 115.840 -25.328 1.00 101.37 ? 52 ASP A OD1 1 +ATOM 306 O OD2 . ASP A 1 51 ? 21.745 115.951 -24.970 1.00 104.91 ? 52 ASP A OD2 1 +ATOM 307 N N . GLN A 1 52 ? 25.601 111.849 -24.147 1.00 86.66 ? 53 GLN A N 1 +ATOM 308 C CA . GLN A 1 52 ? 26.978 111.722 -23.587 1.00 87.19 ? 53 GLN A CA 1 +ATOM 309 C C . GLN A 1 52 ? 27.600 110.379 -23.988 1.00 82.31 ? 53 GLN A C 1 +ATOM 310 O O . GLN A 1 52 ? 28.580 109.946 -23.356 1.00 77.30 ? 53 GLN A O 1 +ATOM 311 C CB . GLN A 1 52 ? 26.919 111.868 -22.069 1.00 92.03 ? 53 GLN A CB 1 +ATOM 312 C CG . GLN A 1 52 ? 26.324 113.192 -21.618 1.00 97.50 ? 53 GLN A CG 1 +ATOM 313 C CD . GLN A 1 52 ? 25.396 112.967 -20.454 1.00 103.22 ? 53 GLN A CD 1 +ATOM 314 O OE1 . GLN A 1 52 ? 25.742 113.261 -19.308 1.00 112.19 ? 53 GLN A OE1 1 +ATOM 315 N NE2 . GLN A 1 52 ? 24.233 112.393 -20.738 1.00 103.07 ? 53 GLN A NE2 1 +ATOM 316 N N . ALA A 1 53 ? 27.039 109.738 -25.007 1.00 81.27 ? 54 ALA A N 1 +ATOM 317 C CA . ALA A 1 53 ? 27.603 108.524 -25.622 1.00 81.03 ? 54 ALA A CA 1 +ATOM 318 C C . ALA A 1 53 ? 29.066 108.810 -25.982 1.00 80.91 ? 54 ALA A C 1 +ATOM 319 O O . ALA A 1 53 ? 29.324 109.851 -26.619 1.00 88.02 ? 54 ALA A O 1 +ATOM 320 C CB . ALA A 1 53 ? 26.777 108.142 -26.824 1.00 81.16 ? 54 ALA A CB 1 +ATOM 321 N N . THR A 1 54 ? 29.981 107.945 -25.536 1.00 76.32 ? 55 THR A N 1 +ATOM 322 C CA . THR A 1 54 ? 31.443 108.058 -25.737 1.00 72.43 ? 55 THR A CA 1 +ATOM 323 C C . THR A 1 54 ? 31.897 106.854 -26.551 1.00 71.02 ? 55 THR A C 1 +ATOM 324 O O . THR A 1 54 ? 32.145 105.813 -25.901 1.00 69.98 ? 55 THR A O 1 +ATOM 325 C CB . THR A 1 54 ? 32.179 108.096 -24.391 1.00 71.90 ? 55 THR A CB 1 +ATOM 326 O OG1 . THR A 1 54 ? 31.923 109.366 -23.799 1.00 73.34 ? 55 THR A OG1 1 +ATOM 327 C CG2 . THR A 1 54 ? 33.676 107.912 -24.504 1.00 73.56 ? 55 THR A CG2 1 +ATOM 328 N N . SER A 1 55 ? 31.996 106.976 -27.888 1.00 70.11 ? 56 SER A N 1 +ATOM 329 C CA . SER A 1 55 ? 32.623 105.925 -28.737 1.00 69.29 ? 56 SER A CA 1 +ATOM 330 C C . SER A 1 55 ? 34.108 105.880 -28.421 1.00 70.26 ? 56 SER A C 1 +ATOM 331 O O . SER A 1 55 ? 34.655 106.897 -27.959 1.00 74.11 ? 56 SER A O 1 +ATOM 332 C CB . SER A 1 55 ? 32.411 106.108 -30.203 1.00 69.79 ? 56 SER A CB 1 +ATOM 333 O OG . SER A 1 55 ? 33.106 107.245 -30.674 1.00 74.60 ? 56 SER A OG 1 +ATOM 334 N N . LEU A 1 56 ? 34.723 104.732 -28.654 1.00 70.56 ? 57 LEU A N 1 +ATOM 335 C CA . LEU A 1 56 ? 36.144 104.493 -28.328 1.00 72.76 ? 57 LEU A CA 1 +ATOM 336 C C . LEU A 1 56 ? 36.866 104.094 -29.618 1.00 74.94 ? 57 LEU A C 1 +ATOM 337 O O . LEU A 1 56 ? 37.750 104.863 -30.069 1.00 78.27 ? 57 LEU A O 1 +ATOM 338 C CB . LEU A 1 56 ? 36.209 103.400 -27.251 1.00 71.98 ? 57 LEU A CB 1 +ATOM 339 C CG . LEU A 1 56 ? 35.682 103.774 -25.858 1.00 71.42 ? 57 LEU A CG 1 +ATOM 340 C CD1 . LEU A 1 56 ? 35.985 102.679 -24.853 1.00 71.85 ? 57 LEU A CD1 1 +ATOM 341 C CD2 . LEU A 1 56 ? 36.264 105.089 -25.360 1.00 72.85 ? 57 LEU A CD2 1 +ATOM 342 N N . ARG A 1 57 ? 36.443 102.960 -30.187 1.00 77.22 ? 58 ARG A N 1 +ATOM 343 C CA A ARG A 1 57 ? 37.095 102.194 -31.287 1.00 81.27 ? 58 ARG A CA 1 +ATOM 344 C C . ARG A 1 57 ? 36.052 101.875 -32.362 1.00 79.85 ? 58 ARG A C 1 +ATOM 345 O O . ARG A 1 57 ? 34.867 101.829 -32.017 1.00 84.41 ? 58 ARG A O 1 +ATOM 346 C CB A ARG A 1 57 ? 37.677 100.875 -30.750 1.00 79.94 ? 58 ARG A CB 1 +ATOM 347 N N . ILE A 1 58 ? 36.476 101.687 -33.610 1.00 78.96 ? 59 ILE A N 1 +ATOM 348 C CA . ILE A 1 58 ? 35.744 100.866 -34.618 1.00 78.32 ? 59 ILE A CA 1 +ATOM 349 C C . ILE A 1 58 ? 36.662 99.714 -34.969 1.00 79.28 ? 59 ILE A C 1 +ATOM 350 O O . ILE A 1 58 ? 37.831 99.992 -35.221 1.00 83.25 ? 59 ILE A O 1 +ATOM 351 C CB . ILE A 1 58 ? 35.385 101.619 -35.907 1.00 81.05 ? 59 ILE A CB 1 +ATOM 352 C CG1 . ILE A 1 58 ? 34.595 100.699 -36.843 1.00 81.68 ? 59 ILE A CG1 1 +ATOM 353 C CG2 . ILE A 1 58 ? 36.627 102.172 -36.599 1.00 83.49 ? 59 ILE A CG2 1 +ATOM 354 C CD1 . ILE A 1 58 ? 33.811 101.427 -37.903 1.00 82.53 ? 59 ILE A CD1 1 +ATOM 355 N N . LEU A 1 59 ? 36.149 98.494 -35.051 1.00 79.45 ? 60 LEU A N 1 +ATOM 356 C CA . LEU A 1 59 ? 37.012 97.325 -35.338 1.00 84.32 ? 60 LEU A CA 1 +ATOM 357 C C . LEU A 1 59 ? 36.272 96.272 -36.180 1.00 85.69 ? 60 LEU A C 1 +ATOM 358 O O . LEU A 1 59 ? 35.158 95.900 -35.828 1.00 86.73 ? 60 LEU A O 1 +ATOM 359 C CB . LEU A 1 59 ? 37.535 96.797 -33.999 1.00 84.61 ? 60 LEU A CB 1 +ATOM 360 C CG . LEU A 1 59 ? 36.574 95.948 -33.176 1.00 84.55 ? 60 LEU A CG 1 +ATOM 361 C CD1 . LEU A 1 59 ? 36.939 94.471 -33.304 1.00 84.34 ? 60 LEU A CD1 1 +ATOM 362 C CD2 . LEU A 1 59 ? 36.581 96.401 -31.717 1.00 86.09 ? 60 LEU A CD2 1 +ATOM 363 N N . ASN A 1 60 ? 36.875 95.862 -37.297 1.00 90.64 ? 61 ASN A N 1 +ATOM 364 C CA . ASN A 1 60 ? 36.448 94.694 -38.105 1.00 94.72 ? 61 ASN A CA 1 +ATOM 365 C C . ASN A 1 60 ? 36.914 93.434 -37.376 1.00 95.42 ? 61 ASN A C 1 +ATOM 366 O O . ASN A 1 60 ? 38.136 93.246 -37.274 1.00 97.59 ? 61 ASN A O 1 +ATOM 367 C CB . ASN A 1 60 ? 37.017 94.760 -39.524 1.00 100.19 ? 61 ASN A CB 1 +ATOM 368 C CG . ASN A 1 60 ? 36.905 93.457 -40.294 1.00 102.64 ? 61 ASN A CG 1 +ATOM 369 O OD1 . ASN A 1 60 ? 35.998 92.654 -40.074 1.00 100.52 ? 61 ASN A OD1 1 +ATOM 370 N ND2 . ASN A 1 60 ? 37.818 93.248 -41.228 1.00 109.96 ? 61 ASN A ND2 1 +ATOM 371 N N . ASN A 1 61 ? 35.971 92.614 -36.909 1.00 95.80 ? 62 ASN A N 1 +ATOM 372 C CA . ASN A 1 61 ? 36.231 91.391 -36.100 1.00 99.84 ? 62 ASN A CA 1 +ATOM 373 C C . ASN A 1 61 ? 36.154 90.143 -36.993 1.00 102.67 ? 62 ASN A C 1 +ATOM 374 O O . ASN A 1 61 ? 36.058 89.016 -36.439 1.00 103.78 ? 62 ASN A O 1 +ATOM 375 C CB . ASN A 1 61 ? 35.232 91.265 -34.950 1.00 100.31 ? 62 ASN A CB 1 +ATOM 376 C CG . ASN A 1 61 ? 33.805 91.153 -35.444 1.00 101.94 ? 62 ASN A CG 1 +ATOM 377 O OD1 . ASN A 1 61 ? 33.286 92.080 -36.071 1.00 102.55 ? 62 ASN A OD1 1 +ATOM 378 N ND2 . ASN A 1 61 ? 33.170 90.021 -35.180 1.00 103.19 ? 62 ASN A ND2 1 +ATOM 379 N N . GLY A 1 62 ? 36.174 90.335 -38.318 1.00 102.80 ? 63 GLY A N 1 +ATOM 380 C CA . GLY A 1 62 ? 36.147 89.251 -39.316 1.00 102.61 ? 63 GLY A CA 1 +ATOM 381 C C . GLY A 1 62 ? 34.820 88.515 -39.326 1.00 102.31 ? 63 GLY A C 1 +ATOM 382 O O . GLY A 1 62 ? 34.826 87.318 -39.657 1.00 108.94 ? 63 GLY A O 1 +ATOM 383 N N . HIS A 1 63 ? 33.730 89.187 -38.941 1.00 101.21 ? 64 HIS A N 1 +ATOM 384 C CA . HIS A 1 63 ? 32.323 88.720 -39.102 1.00 98.62 ? 64 HIS A CA 1 +ATOM 385 C C . HIS A 1 63 ? 31.459 89.893 -39.569 1.00 95.98 ? 64 HIS A C 1 +ATOM 386 O O . HIS A 1 63 ? 30.529 89.663 -40.353 1.00 98.35 ? 64 HIS A O 1 +ATOM 387 C CB . HIS A 1 63 ? 31.802 88.105 -37.798 1.00 99.14 ? 64 HIS A CB 1 +ATOM 388 C CG . HIS A 1 63 ? 32.562 86.892 -37.384 1.00 105.05 ? 64 HIS A CG 1 +ATOM 389 N ND1 . HIS A 1 63 ? 33.113 86.761 -36.123 1.00 106.51 ? 64 HIS A ND1 1 +ATOM 390 C CD2 . HIS A 1 63 ? 32.893 85.771 -38.068 1.00 107.44 ? 64 HIS A CD2 1 +ATOM 391 C CE1 . HIS A 1 63 ? 33.747 85.609 -36.042 1.00 108.20 ? 64 HIS A CE1 1 +ATOM 392 N NE2 . HIS A 1 63 ? 33.632 84.985 -37.228 1.00 108.22 ? 64 HIS A NE2 1 +ATOM 393 N N . ALA A 1 64 ? 31.784 91.094 -39.088 1.00 91.59 ? 65 ALA A N 1 +ATOM 394 C CA . ALA A 1 64 ? 31.133 92.391 -39.382 1.00 90.39 ? 65 ALA A CA 1 +ATOM 395 C C . ALA A 1 64 ? 32.067 93.463 -38.826 1.00 87.17 ? 65 ALA A C 1 +ATOM 396 O O . ALA A 1 64 ? 33.230 93.092 -38.581 1.00 91.27 ? 65 ALA A O 1 +ATOM 397 C CB . ALA A 1 64 ? 29.766 92.437 -38.751 1.00 90.54 ? 65 ALA A CB 1 +ATOM 398 N N . PHE A 1 65 ? 31.610 94.703 -38.613 1.00 82.08 ? 66 PHE A N 1 +ATOM 399 C CA . PHE A 1 65 ? 32.425 95.748 -37.930 1.00 80.93 ? 66 PHE A CA 1 +ATOM 400 C C . PHE A 1 65 ? 31.614 96.340 -36.775 1.00 76.33 ? 66 PHE A C 1 +ATOM 401 O O . PHE A 1 65 ? 30.448 96.678 -36.970 1.00 76.63 ? 66 PHE A O 1 +ATOM 402 C CB . PHE A 1 65 ? 32.949 96.807 -38.909 1.00 82.00 ? 66 PHE A CB 1 +ATOM 403 C CG . PHE A 1 65 ? 31.941 97.853 -39.300 1.00 82.02 ? 66 PHE A CG 1 +ATOM 404 C CD1 . PHE A 1 65 ? 31.675 98.928 -38.467 1.00 82.17 ? 66 PHE A CD1 1 +ATOM 405 C CD2 . PHE A 1 65 ? 31.233 97.744 -40.484 1.00 84.05 ? 66 PHE A CD2 1 +ATOM 406 C CE1 . PHE A 1 65 ? 30.714 99.870 -38.806 1.00 81.25 ? 66 PHE A CE1 1 +ATOM 407 C CE2 . PHE A 1 65 ? 30.281 98.691 -40.827 1.00 83.76 ? 66 PHE A CE2 1 +ATOM 408 C CZ . PHE A 1 65 ? 30.029 99.753 -39.990 1.00 81.76 ? 66 PHE A CZ 1 +ATOM 409 N N . ASN A 1 66 ? 32.254 96.454 -35.613 1.00 73.47 ? 67 ASN A N 1 +ATOM 410 C CA . ASN A 1 66 ? 31.668 96.917 -34.335 1.00 71.64 ? 67 ASN A CA 1 +ATOM 411 C C . ASN A 1 66 ? 32.264 98.266 -33.977 1.00 68.67 ? 67 ASN A C 1 +ATOM 412 O O . ASN A 1 66 ? 33.464 98.353 -33.909 1.00 73.01 ? 67 ASN A O 1 +ATOM 413 C CB . ASN A 1 66 ? 31.990 95.967 -33.184 1.00 75.92 ? 67 ASN A CB 1 +ATOM 414 C CG . ASN A 1 66 ? 31.313 94.617 -33.324 1.00 83.31 ? 67 ASN A CG 1 +ATOM 415 O OD1 . ASN A 1 66 ? 31.066 94.139 -34.444 1.00 88.32 ? 67 ASN A OD1 1 +ATOM 416 N ND2 . ASN A 1 66 ? 31.007 93.995 -32.185 1.00 82.48 ? 67 ASN A ND2 1 +ATOM 417 N N . VAL A 1 67 ? 31.440 99.262 -33.714 1.00 66.05 ? 68 VAL A N 1 +ATOM 418 C CA . VAL A 1 67 ? 31.855 100.496 -32.997 1.00 66.08 ? 68 VAL A CA 1 +ATOM 419 C C . VAL A 1 67 ? 31.664 100.297 -31.489 1.00 65.85 ? 68 VAL A C 1 +ATOM 420 O O . VAL A 1 67 ? 30.496 100.144 -31.078 1.00 66.15 ? 68 VAL A O 1 +ATOM 421 C CB . VAL A 1 67 ? 31.022 101.671 -33.504 1.00 67.21 ? 68 VAL A CB 1 +ATOM 422 C CG1 . VAL A 1 67 ? 31.183 102.865 -32.587 1.00 68.68 ? 68 VAL A CG1 1 +ATOM 423 C CG2 . VAL A 1 67 ? 31.363 101.999 -34.957 1.00 68.58 ? 68 VAL A CG2 1 +ATOM 424 N N . GLU A 1 68 ? 32.757 100.289 -30.712 1.00 65.71 ? 69 GLU A N 1 +ATOM 425 C CA . GLU A 1 68 ? 32.776 100.041 -29.239 1.00 65.69 ? 69 GLU A CA 1 +ATOM 426 C C . GLU A 1 68 ? 32.407 101.338 -28.504 1.00 65.43 ? 69 GLU A C 1 +ATOM 427 O O . GLU A 1 68 ? 32.799 102.401 -29.012 1.00 68.15 ? 69 GLU A O 1 +ATOM 428 C CB . GLU A 1 68 ? 34.174 99.603 -28.790 1.00 68.94 ? 69 GLU A CB 1 +ATOM 429 C CG . GLU A 1 68 ? 34.682 98.296 -29.401 1.00 70.43 ? 69 GLU A CG 1 +ATOM 430 N N . PHE A 1 69 ? 31.706 101.278 -27.362 1.00 63.03 ? 70 PHE A N 1 +ATOM 431 C CA . PHE A 1 69 ? 31.412 102.470 -26.504 1.00 63.24 ? 70 PHE A CA 1 +ATOM 432 C C . PHE A 1 69 ? 31.809 102.279 -25.021 1.00 63.11 ? 70 PHE A C 1 +ATOM 433 O O . PHE A 1 69 ? 31.967 101.148 -24.501 1.00 61.90 ? 70 PHE A O 1 +ATOM 434 C CB . PHE A 1 69 ? 29.928 102.811 -26.538 1.00 61.90 ? 70 PHE A CB 1 +ATOM 435 C CG . PHE A 1 69 ? 29.405 103.354 -27.835 1.00 61.34 ? 70 PHE A CG 1 +ATOM 436 C CD1 . PHE A 1 69 ? 29.200 102.520 -28.908 1.00 62.79 ? 70 PHE A CD1 1 +ATOM 437 C CD2 . PHE A 1 69 ? 29.038 104.679 -27.957 1.00 62.34 ? 70 PHE A CD2 1 +ATOM 438 C CE1 . PHE A 1 69 ? 28.678 103.005 -30.096 1.00 61.88 ? 70 PHE A CE1 1 +ATOM 439 C CE2 . PHE A 1 69 ? 28.530 105.167 -29.148 1.00 63.29 ? 70 PHE A CE2 1 +ATOM 440 C CZ . PHE A 1 69 ? 28.341 104.326 -30.214 1.00 62.95 ? 70 PHE A CZ 1 +ATOM 441 N N . ASP A 1 70 ? 31.949 103.404 -24.319 1.00 65.84 ? 71 ASP A N 1 +ATOM 442 C CA . ASP A 1 70 ? 32.274 103.452 -22.867 1.00 68.11 ? 71 ASP A CA 1 +ATOM 443 C C . ASP A 1 70 ? 30.985 103.194 -22.079 1.00 67.17 ? 71 ASP A C 1 +ATOM 444 O O . ASP A 1 70 ? 30.140 104.107 -22.031 1.00 67.88 ? 71 ASP A O 1 +ATOM 445 C CB . ASP A 1 70 ? 32.913 104.798 -22.490 1.00 70.81 ? 71 ASP A CB 1 +ATOM 446 C CG . ASP A 1 70 ? 33.278 104.962 -21.019 1.00 72.56 ? 71 ASP A CG 1 +ATOM 447 O OD1 . ASP A 1 70 ? 32.960 104.053 -20.214 1.00 73.24 ? 71 ASP A OD1 1 +ATOM 448 O OD2 . ASP A 1 70 ? 33.899 105.995 -20.691 1.00 73.89 ? 71 ASP A OD2 1 +ATOM 449 N N . ASP A 1 71 ? 30.864 102.002 -21.484 1.00 66.81 ? 72 ASP A N 1 +ATOM 450 C CA . ASP A 1 71 ? 29.712 101.558 -20.655 1.00 65.74 ? 72 ASP A CA 1 +ATOM 451 C C . ASP A 1 71 ? 30.099 101.593 -19.165 1.00 66.77 ? 72 ASP A C 1 +ATOM 452 O O . ASP A 1 71 ? 29.514 100.786 -18.386 1.00 64.56 ? 72 ASP A O 1 +ATOM 453 C CB . ASP A 1 71 ? 29.221 100.173 -21.099 1.00 65.22 ? 72 ASP A CB 1 +ATOM 454 C CG . ASP A 1 71 ? 30.246 99.050 -20.959 1.00 69.00 ? 72 ASP A CG 1 +ATOM 455 O OD1 . ASP A 1 71 ? 31.454 99.324 -21.147 1.00 71.43 ? 72 ASP A OD1 1 +ATOM 456 O OD2 . ASP A 1 71 ? 29.839 97.895 -20.680 1.00 69.92 ? 72 ASP A OD2 1 +ATOM 457 N N . SER A 1 72 ? 31.014 102.491 -18.776 1.00 66.62 ? 73 SER A N 1 +ATOM 458 C CA . SER A 1 72 ? 31.603 102.551 -17.412 1.00 71.23 ? 73 SER A CA 1 +ATOM 459 C C . SER A 1 72 ? 30.585 103.141 -16.428 1.00 73.11 ? 73 SER A C 1 +ATOM 460 O O . SER A 1 72 ? 30.648 102.831 -15.218 1.00 72.12 ? 73 SER A O 1 +ATOM 461 C CB . SER A 1 72 ? 32.901 103.324 -17.395 1.00 73.65 ? 73 SER A CB 1 +ATOM 462 O OG . SER A 1 72 ? 32.695 104.735 -17.514 1.00 73.89 ? 73 SER A OG 1 +ATOM 463 N N . GLN A 1 73 ? 29.682 103.960 -16.960 1.00 77.45 ? 74 GLN A N 1 +ATOM 464 C CA . GLN A 1 73 ? 28.575 104.637 -16.233 1.00 79.56 ? 74 GLN A CA 1 +ATOM 465 C C . GLN A 1 73 ? 27.439 104.924 -17.229 1.00 78.54 ? 74 GLN A C 1 +ATOM 466 O O . GLN A 1 73 ? 27.664 104.747 -18.454 1.00 75.35 ? 74 GLN A O 1 +ATOM 467 C CB . GLN A 1 73 ? 29.109 105.911 -15.580 1.00 81.82 ? 74 GLN A CB 1 +ATOM 468 C CG . GLN A 1 73 ? 29.793 106.840 -16.574 1.00 83.46 ? 74 GLN A CG 1 +ATOM 469 C CD . GLN A 1 73 ? 30.322 108.099 -15.934 1.00 86.10 ? 74 GLN A CD 1 +ATOM 470 O OE1 . GLN A 1 73 ? 30.519 108.145 -14.711 1.00 86.75 ? 74 GLN A OE1 1 +ATOM 471 N NE2 . GLN A 1 73 ? 30.536 109.123 -16.759 1.00 81.45 ? 74 GLN A NE2 1 +ATOM 472 N N . ASP A 1 74 ? 26.287 105.378 -16.724 1.00 79.10 ? 75 ASP A N 1 +ATOM 473 C CA . ASP A 1 74 ? 25.045 105.630 -17.505 1.00 79.40 ? 75 ASP A CA 1 +ATOM 474 C C . ASP A 1 74 ? 25.224 106.899 -18.363 1.00 77.57 ? 75 ASP A C 1 +ATOM 475 O O . ASP A 1 74 ? 24.502 107.875 -18.168 1.00 77.71 ? 75 ASP A O 1 +ATOM 476 C CB . ASP A 1 74 ? 23.821 105.684 -16.575 1.00 83.66 ? 75 ASP A CB 1 +ATOM 477 C CG . ASP A 1 74 ? 23.473 104.404 -15.807 1.00 84.40 ? 75 ASP A CG 1 +ATOM 478 O OD1 . ASP A 1 74 ? 23.733 103.295 -16.312 1.00 82.82 ? 75 ASP A OD1 1 +ATOM 479 O OD2 . ASP A 1 74 ? 22.916 104.527 -14.700 1.00 88.79 ? 75 ASP A OD2 1 +ATOM 480 N N . LYS A 1 75 ? 26.132 106.840 -19.335 1.00 80.04 ? 76 LYS A N 1 +ATOM 481 C CA . LYS A 1 75 ? 26.479 107.929 -20.290 1.00 80.56 ? 76 LYS A CA 1 +ATOM 482 C C . LYS A 1 75 ? 25.750 107.727 -21.631 1.00 73.78 ? 76 LYS A C 1 +ATOM 483 O O . LYS A 1 75 ? 25.891 108.587 -22.517 1.00 74.30 ? 76 LYS A O 1 +ATOM 484 C CB . LYS A 1 75 ? 27.993 107.934 -20.538 1.00 85.67 ? 76 LYS A CB 1 +ATOM 485 C CG . LYS A 1 75 ? 28.814 108.868 -19.658 1.00 92.33 ? 76 LYS A CG 1 +ATOM 486 C CD . LYS A 1 75 ? 30.164 109.227 -20.277 1.00 95.62 ? 76 LYS A CD 1 +ATOM 487 C CE . LYS A 1 75 ? 31.022 108.026 -20.630 1.00 94.08 ? 76 LYS A CE 1 +ATOM 488 N NZ . LYS A 1 75 ? 31.905 107.646 -19.508 1.00 97.26 ? 76 LYS A NZ 1 +ATOM 489 N N . ALA A 1 76 ? 25.061 106.603 -21.817 1.00 66.08 ? 77 ALA A N 1 +ATOM 490 C CA . ALA A 1 76 ? 24.252 106.332 -23.026 1.00 60.92 ? 77 ALA A CA 1 +ATOM 491 C C . ALA A 1 76 ? 23.328 105.170 -22.697 1.00 56.27 ? 77 ALA A C 1 +ATOM 492 O O . ALA A 1 76 ? 23.787 104.062 -22.601 1.00 58.02 ? 77 ALA A O 1 +ATOM 493 C CB . ALA A 1 76 ? 25.124 106.048 -24.217 1.00 60.84 ? 77 ALA A CB 1 +ATOM 494 N N . VAL A 1 77 ? 22.067 105.439 -22.430 1.00 53.60 ? 78 VAL A N 1 +ATOM 495 C CA . VAL A 1 77 ? 21.203 104.403 -21.821 1.00 51.87 ? 78 VAL A CA 1 +ATOM 496 C C . VAL A 1 77 ? 19.880 104.375 -22.558 1.00 50.82 ? 78 VAL A C 1 +ATOM 497 O O . VAL A 1 77 ? 19.508 105.376 -23.168 1.00 51.41 ? 78 VAL A O 1 +ATOM 498 C CB . VAL A 1 77 ? 21.018 104.626 -20.311 1.00 51.82 ? 78 VAL A CB 1 +ATOM 499 C CG1 . VAL A 1 77 ? 22.330 104.357 -19.579 1.00 52.33 ? 78 VAL A CG1 1 +ATOM 500 C CG2 . VAL A 1 77 ? 20.487 106.015 -20.019 1.00 51.74 ? 78 VAL A CG2 1 +ATOM 501 N N . LEU A 1 78 ? 19.238 103.228 -22.445 1.00 50.26 ? 79 LEU A N 1 +ATOM 502 C CA . LEU A 1 78 ? 17.963 102.870 -23.070 1.00 51.10 ? 79 LEU A CA 1 +ATOM 503 C C . LEU A 1 78 ? 17.012 102.450 -21.947 1.00 52.27 ? 79 LEU A C 1 +ATOM 504 O O . LEU A 1 78 ? 17.316 101.454 -21.305 1.00 53.21 ? 79 LEU A O 1 +ATOM 505 C CB . LEU A 1 78 ? 18.251 101.715 -24.031 1.00 50.86 ? 79 LEU A CB 1 +ATOM 506 C CG . LEU A 1 78 ? 17.009 101.105 -24.656 1.00 51.43 ? 79 LEU A CG 1 +ATOM 507 C CD1 . LEU A 1 78 ? 16.185 102.226 -25.240 1.00 53.69 ? 79 LEU A CD1 1 +ATOM 508 C CD2 . LEU A 1 78 ? 17.340 100.075 -25.713 1.00 51.46 ? 79 LEU A CD2 1 +ATOM 509 N N . LYS A 1 79 ? 15.928 103.192 -21.720 1.00 54.45 ? 80 LYS A N 1 +ATOM 510 C CA . LYS A 1 79 ? 14.846 102.822 -20.777 1.00 57.57 ? 80 LYS A CA 1 +ATOM 511 C C . LYS A 1 79 ? 13.519 102.698 -21.542 1.00 59.06 ? 80 LYS A C 1 +ATOM 512 O O . LYS A 1 79 ? 13.488 102.892 -22.779 1.00 58.75 ? 80 LYS A O 1 +ATOM 513 C CB . LYS A 1 79 ? 14.677 103.872 -19.666 1.00 60.79 ? 80 LYS A CB 1 +ATOM 514 C CG . LYS A 1 79 ? 15.866 104.185 -18.753 1.00 61.32 ? 80 LYS A CG 1 +ATOM 515 C CD . LYS A 1 79 ? 15.869 105.647 -18.288 1.00 62.39 ? 80 LYS A CD 1 +ATOM 516 C CE . LYS A 1 79 ? 16.303 105.869 -16.857 1.00 64.20 ? 80 LYS A CE 1 +ATOM 517 N NZ . LYS A 1 79 ? 17.706 105.444 -16.655 1.00 64.91 ? 80 LYS A NZ 1 +ATOM 518 N N . GLY A 1 80 ? 12.445 102.425 -20.797 1.00 61.51 ? 81 GLY A N 1 +ATOM 519 C CA . GLY A 1 80 ? 11.078 102.371 -21.324 1.00 63.62 ? 81 GLY A CA 1 +ATOM 520 C C . GLY A 1 80 ? 10.956 101.227 -22.302 1.00 66.20 ? 81 GLY A C 1 +ATOM 521 O O . GLY A 1 80 ? 11.700 100.231 -22.163 1.00 68.46 ? 81 GLY A O 1 +ATOM 522 N N . GLY A 1 81 ? 10.066 101.371 -23.277 1.00 67.06 ? 82 GLY A N 1 +ATOM 523 C CA . GLY A 1 81 ? 9.608 100.256 -24.112 1.00 64.25 ? 82 GLY A CA 1 +ATOM 524 C C . GLY A 1 81 ? 9.189 99.111 -23.203 1.00 65.54 ? 82 GLY A C 1 +ATOM 525 O O . GLY A 1 81 ? 8.607 99.318 -22.133 1.00 67.08 ? 82 GLY A O 1 +ATOM 526 N N . PRO A 1 82 ? 9.559 97.874 -23.567 1.00 63.26 ? 83 PRO A N 1 +ATOM 527 C CA . PRO A 1 82 ? 9.202 96.712 -22.768 1.00 62.64 ? 83 PRO A CA 1 +ATOM 528 C C . PRO A 1 82 ? 10.096 96.517 -21.539 1.00 61.83 ? 83 PRO A C 1 +ATOM 529 O O . PRO A 1 82 ? 9.814 95.608 -20.822 1.00 65.47 ? 83 PRO A O 1 +ATOM 530 C CB . PRO A 1 82 ? 9.482 95.585 -23.772 1.00 61.48 ? 83 PRO A CB 1 +ATOM 531 C CG . PRO A 1 82 ? 10.725 96.075 -24.453 1.00 60.37 ? 83 PRO A CG 1 +ATOM 532 C CD . PRO A 1 82 ? 10.400 97.529 -24.720 1.00 61.09 ? 83 PRO A CD 1 +ATOM 533 N N . LEU A 1 83 ? 11.159 97.305 -21.369 1.00 59.46 ? 84 LEU A N 1 +ATOM 534 C CA . LEU A 1 83 ? 12.314 96.916 -20.506 1.00 60.15 ? 84 LEU A CA 1 +ATOM 535 C C . LEU A 1 83 ? 12.110 97.366 -19.050 1.00 60.31 ? 84 LEU A C 1 +ATOM 536 O O . LEU A 1 83 ? 11.696 98.519 -18.875 1.00 60.28 ? 84 LEU A O 1 +ATOM 537 C CB . LEU A 1 83 ? 13.591 97.588 -21.022 1.00 59.42 ? 84 LEU A CB 1 +ATOM 538 C CG . LEU A 1 83 ? 13.928 97.512 -22.510 1.00 56.41 ? 84 LEU A CG 1 +ATOM 539 C CD1 . LEU A 1 83 ? 14.925 98.604 -22.834 1.00 56.14 ? 84 LEU A CD1 1 +ATOM 540 C CD2 . LEU A 1 83 ? 14.525 96.165 -22.878 1.00 56.37 ? 84 LEU A CD2 1 +ATOM 541 N N . ASP A 1 84 ? 12.485 96.532 -18.066 1.00 61.31 ? 85 ASP A N 1 +ATOM 542 C CA . ASP A 1 84 ? 12.610 96.899 -16.612 1.00 63.93 ? 85 ASP A CA 1 +ATOM 543 C C . ASP A 1 84 ? 14.058 97.325 -16.336 1.00 62.35 ? 85 ASP A C 1 +ATOM 544 O O . ASP A 1 84 ? 14.974 96.436 -16.369 1.00 61.90 ? 85 ASP A O 1 +ATOM 545 C CB . ASP A 1 84 ? 12.190 95.782 -15.640 1.00 63.61 ? 85 ASP A CB 1 +ATOM 546 N N . GLY A 1 85 ? 14.251 98.636 -16.158 1.00 62.20 ? 86 GLY A N 1 +ATOM 547 C CA . GLY A 1 85 ? 15.522 99.260 -15.751 1.00 63.40 ? 86 GLY A CA 1 +ATOM 548 C C . GLY A 1 85 ? 16.228 100.018 -16.868 1.00 64.17 ? 86 GLY A C 1 +ATOM 549 O O . GLY A 1 85 ? 15.562 100.440 -17.858 1.00 63.89 ? 86 GLY A O 1 +ATOM 550 N N . THR A 1 86 ? 17.546 100.203 -16.679 1.00 63.35 ? 87 THR A N 1 +ATOM 551 C CA . THR A 1 86 ? 18.481 100.977 -17.537 1.00 59.38 ? 87 THR A CA 1 +ATOM 552 C C . THR A 1 86 ? 19.434 100.021 -18.253 1.00 55.67 ? 87 THR A C 1 +ATOM 553 O O . THR A 1 86 ? 20.107 99.182 -17.585 1.00 50.35 ? 87 THR A O 1 +ATOM 554 C CB . THR A 1 86 ? 19.283 101.972 -16.689 1.00 61.75 ? 87 THR A CB 1 +ATOM 555 O OG1 . THR A 1 86 ? 18.343 102.638 -15.847 1.00 62.92 ? 87 THR A OG1 1 +ATOM 556 C CG2 . THR A 1 86 ? 20.068 102.989 -17.493 1.00 61.96 ? 87 THR A CG2 1 +ATOM 557 N N . TYR A 1 87 ? 19.508 100.159 -19.579 1.00 54.29 ? 88 TYR A N 1 +ATOM 558 C CA . TYR A 1 87 ? 20.423 99.343 -20.412 1.00 51.59 ? 88 TYR A CA 1 +ATOM 559 C C . TYR A 1 87 ? 21.501 100.256 -20.963 1.00 52.23 ? 88 TYR A C 1 +ATOM 560 O O . TYR A 1 87 ? 21.159 101.370 -21.311 1.00 56.16 ? 88 TYR A O 1 +ATOM 561 C CB . TYR A 1 87 ? 19.624 98.604 -21.462 1.00 49.78 ? 88 TYR A CB 1 +ATOM 562 C CG . TYR A 1 87 ? 18.804 97.449 -20.955 1.00 48.44 ? 88 TYR A CG 1 +ATOM 563 C CD1 . TYR A 1 87 ? 17.649 97.665 -20.245 1.00 51.69 ? 88 TYR A CD1 1 +ATOM 564 C CD2 . TYR A 1 87 ? 19.157 96.149 -21.224 1.00 46.56 ? 88 TYR A CD2 1 +ATOM 565 C CE1 . TYR A 1 87 ? 16.862 96.617 -19.799 1.00 53.41 ? 88 TYR A CE1 1 +ATOM 566 C CE2 . TYR A 1 87 ? 18.370 95.095 -20.824 1.00 49.04 ? 88 TYR A CE2 1 +ATOM 567 C CZ . TYR A 1 87 ? 17.215 95.317 -20.092 1.00 52.39 ? 88 TYR A CZ 1 +ATOM 568 O OH . TYR A 1 87 ? 16.440 94.272 -19.625 1.00 53.84 ? 88 TYR A OH 1 +ATOM 569 N N . ARG A 1 88 ? 22.762 99.839 -20.911 1.00 53.09 ? 89 ARG A N 1 +ATOM 570 C CA . ARG A 1 88 ? 23.915 100.689 -21.307 1.00 53.28 ? 89 ARG A CA 1 +ATOM 571 C C . ARG A 1 88 ? 24.342 100.329 -22.731 1.00 52.03 ? 89 ARG A C 1 +ATOM 572 O O . ARG A 1 88 ? 24.461 99.131 -23.024 1.00 51.96 ? 89 ARG A O 1 +ATOM 573 C CB . ARG A 1 88 ? 25.059 100.497 -20.315 1.00 54.97 ? 89 ARG A CB 1 +ATOM 574 C CG . ARG A 1 88 ? 25.056 101.526 -19.203 1.00 57.73 ? 89 ARG A CG 1 +ATOM 575 C CD . ARG A 1 88 ? 26.345 101.587 -18.416 1.00 60.21 ? 89 ARG A CD 1 +ATOM 576 N NE . ARG A 1 88 ? 26.006 102.043 -17.081 1.00 62.82 ? 89 ARG A NE 1 +ATOM 577 C CZ . ARG A 1 88 ? 26.654 101.726 -15.976 1.00 65.36 ? 89 ARG A CZ 1 +ATOM 578 N NH1 . ARG A 1 88 ? 27.719 100.943 -16.011 1.00 66.04 ? 89 ARG A NH1 1 +ATOM 579 N NH2 . ARG A 1 88 ? 26.218 102.198 -14.824 1.00 69.44 ? 89 ARG A NH2 1 +ATOM 580 N N . LEU A 1 89 ? 24.552 101.320 -23.590 1.00 51.80 ? 90 LEU A N 1 +ATOM 581 C CA . LEU A 1 89 ? 25.059 101.076 -24.959 1.00 52.37 ? 90 LEU A CA 1 +ATOM 582 C C . LEU A 1 89 ? 26.498 100.574 -24.845 1.00 55.10 ? 90 LEU A C 1 +ATOM 583 O O . LEU A 1 89 ? 27.319 101.268 -24.235 1.00 56.89 ? 90 LEU A O 1 +ATOM 584 C CB . LEU A 1 89 ? 25.008 102.349 -25.798 1.00 52.20 ? 90 LEU A CB 1 +ATOM 585 C CG . LEU A 1 89 ? 25.483 102.136 -27.230 1.00 51.48 ? 90 LEU A CG 1 +ATOM 586 C CD1 . LEU A 1 89 ? 24.638 101.095 -27.919 1.00 50.48 ? 90 LEU A CD1 1 +ATOM 587 C CD2 . LEU A 1 89 ? 25.488 103.424 -28.024 1.00 52.78 ? 90 LEU A CD2 1 +ATOM 588 N N . ILE A 1 90 ? 26.797 99.403 -25.404 1.00 56.39 ? 91 ILE A N 1 +ATOM 589 C CA . ILE A 1 90 ? 28.173 98.843 -25.370 1.00 56.44 ? 91 ILE A CA 1 +ATOM 590 C C . ILE A 1 90 ? 28.743 98.865 -26.792 1.00 57.60 ? 91 ILE A C 1 +ATOM 591 O O . ILE A 1 90 ? 29.924 99.254 -26.965 1.00 57.16 ? 91 ILE A O 1 +ATOM 592 C CB . ILE A 1 90 ? 28.153 97.468 -24.696 1.00 56.17 ? 91 ILE A CB 1 +ATOM 593 C CG1 . ILE A 1 90 ? 29.534 96.822 -24.695 1.00 60.15 ? 91 ILE A CG1 1 +ATOM 594 C CG2 . ILE A 1 90 ? 27.119 96.561 -25.295 1.00 54.26 ? 91 ILE A CG2 1 +ATOM 595 C CD1 . ILE A 1 90 ? 29.810 96.038 -23.431 1.00 62.66 ? 91 ILE A CD1 1 +ATOM 596 N N . GLN A 1 91 ? 27.939 98.551 -27.801 1.00 58.43 ? 92 GLN A N 1 +ATOM 597 C CA . GLN A 1 91 ? 28.447 98.611 -29.189 1.00 60.86 ? 92 GLN A CA 1 +ATOM 598 C C . GLN A 1 91 ? 27.309 98.587 -30.184 1.00 58.59 ? 92 GLN A C 1 +ATOM 599 O O . GLN A 1 91 ? 26.173 98.304 -29.802 1.00 56.69 ? 92 GLN A O 1 +ATOM 600 C CB . GLN A 1 91 ? 29.402 97.448 -29.442 1.00 64.81 ? 92 GLN A CB 1 +ATOM 601 C CG . GLN A 1 91 ? 28.849 96.078 -29.075 1.00 65.98 ? 92 GLN A CG 1 +ATOM 602 C CD . GLN A 1 91 ? 28.496 95.317 -30.327 1.00 70.56 ? 92 GLN A CD 1 +ATOM 603 O OE1 . GLN A 1 91 ? 28.545 95.856 -31.434 1.00 77.94 ? 92 GLN A OE1 1 +ATOM 604 N NE2 . GLN A 1 91 ? 28.118 94.060 -30.165 1.00 72.97 ? 92 GLN A NE2 1 +ATOM 605 N N . PHE A 1 92 ? 27.635 98.900 -31.423 1.00 61.16 ? 93 PHE A N 1 +ATOM 606 C CA . PHE A 1 92 ? 26.727 98.631 -32.557 1.00 65.79 ? 93 PHE A CA 1 +ATOM 607 C C . PHE A 1 92 ? 27.537 98.110 -33.738 1.00 69.33 ? 93 PHE A C 1 +ATOM 608 O O . PHE A 1 92 ? 28.720 98.391 -33.859 1.00 76.58 ? 93 PHE A O 1 +ATOM 609 C CB . PHE A 1 92 ? 25.865 99.852 -32.877 1.00 66.77 ? 93 PHE A CB 1 +ATOM 610 C CG . PHE A 1 92 ? 26.536 100.909 -33.704 1.00 68.78 ? 93 PHE A CG 1 +ATOM 611 C CD1 . PHE A 1 92 ? 26.634 100.772 -35.084 1.00 69.72 ? 93 PHE A CD1 1 +ATOM 612 C CD2 . PHE A 1 92 ? 27.040 102.050 -33.099 1.00 69.35 ? 93 PHE A CD2 1 +ATOM 613 C CE1 . PHE A 1 92 ? 27.251 101.754 -35.840 1.00 70.72 ? 93 PHE A CE1 1 +ATOM 614 C CE2 . PHE A 1 92 ? 27.645 103.038 -33.858 1.00 71.95 ? 93 PHE A CE2 1 +ATOM 615 C CZ . PHE A 1 92 ? 27.750 102.886 -35.228 1.00 72.93 ? 93 PHE A CZ 1 +ATOM 616 N N . HIS A 1 93 ? 26.882 97.333 -34.580 1.00 71.26 ? 94 HIS A N 1 +ATOM 617 C CA . HIS A 1 93 ? 27.492 96.711 -35.769 1.00 75.16 ? 94 HIS A CA 1 +ATOM 618 C C . HIS A 1 93 ? 26.375 96.461 -36.782 1.00 75.23 ? 94 HIS A C 1 +ATOM 619 O O . HIS A 1 93 ? 25.184 96.525 -36.374 1.00 71.45 ? 94 HIS A O 1 +ATOM 620 C CB . HIS A 1 93 ? 28.200 95.425 -35.348 1.00 77.69 ? 94 HIS A CB 1 +ATOM 621 C CG . HIS A 1 93 ? 27.219 94.452 -34.822 1.00 78.75 ? 94 HIS A CG 1 +ATOM 622 N ND1 . HIS A 1 93 ? 26.540 94.723 -33.681 1.00 79.07 ? 94 HIS A ND1 1 +ATOM 623 C CD2 . HIS A 1 93 ? 26.732 93.293 -35.312 1.00 83.27 ? 94 HIS A CD2 1 +ATOM 624 C CE1 . HIS A 1 93 ? 25.723 93.734 -33.427 1.00 85.63 ? 94 HIS A CE1 1 +ATOM 625 N NE2 . HIS A 1 93 ? 25.781 92.861 -34.432 1.00 86.62 ? 94 HIS A NE2 1 +ATOM 626 N N . PHE A 1 94 ? 26.737 96.164 -38.034 1.00 73.68 ? 95 PHE A N 1 +ATOM 627 C CA . PHE A 1 94 ? 25.749 95.950 -39.106 1.00 75.38 ? 95 PHE A CA 1 +ATOM 628 C C . PHE A 1 94 ? 25.823 94.536 -39.653 1.00 80.78 ? 95 PHE A C 1 +ATOM 629 O O . PHE A 1 94 ? 26.908 93.929 -39.576 1.00 81.72 ? 95 PHE A O 1 +ATOM 630 C CB . PHE A 1 94 ? 26.049 96.902 -40.242 1.00 77.92 ? 95 PHE A CB 1 +ATOM 631 C CG . PHE A 1 94 ? 26.080 98.338 -39.827 1.00 75.96 ? 95 PHE A CG 1 +ATOM 632 C CD1 . PHE A 1 94 ? 27.243 98.901 -39.331 1.00 77.11 ? 95 PHE A CD1 1 +ATOM 633 C CD2 . PHE A 1 94 ? 24.952 99.123 -39.966 1.00 77.04 ? 95 PHE A CD2 1 +ATOM 634 C CE1 . PHE A 1 94 ? 27.278 100.242 -38.980 1.00 78.23 ? 95 PHE A CE1 1 +ATOM 635 C CE2 . PHE A 1 94 ? 24.988 100.465 -39.623 1.00 78.94 ? 95 PHE A CE2 1 +ATOM 636 C CZ . PHE A 1 94 ? 26.151 101.021 -39.130 1.00 79.22 ? 95 PHE A CZ 1 +ATOM 637 N N . HIS A 1 95 ? 24.696 94.079 -40.211 1.00 87.11 ? 96 HIS A N 1 +ATOM 638 C CA . HIS A 1 95 ? 24.583 92.944 -41.170 1.00 95.36 ? 96 HIS A CA 1 +ATOM 639 C C . HIS A 1 95 ? 24.079 93.476 -42.527 1.00 98.02 ? 96 HIS A C 1 +ATOM 640 O O . HIS A 1 95 ? 23.204 94.371 -42.527 1.00 95.13 ? 96 HIS A O 1 +ATOM 641 C CB . HIS A 1 95 ? 23.687 91.845 -40.578 1.00 96.63 ? 96 HIS A CB 1 +ATOM 642 C CG . HIS A 1 95 ? 23.992 91.558 -39.150 1.00 99.08 ? 96 HIS A CG 1 +ATOM 643 N ND1 . HIS A 1 95 ? 25.096 90.818 -38.751 1.00 105.13 ? 96 HIS A ND1 1 +ATOM 644 C CD2 . HIS A 1 95 ? 23.369 91.944 -38.019 1.00 98.54 ? 96 HIS A CD2 1 +ATOM 645 C CE1 . HIS A 1 95 ? 25.126 90.748 -37.430 1.00 98.80 ? 96 HIS A CE1 1 +ATOM 646 N NE2 . HIS A 1 95 ? 24.071 91.424 -36.960 1.00 98.34 ? 96 HIS A NE2 1 +ATOM 647 N N . TRP A 1 96 ? 24.601 92.942 -43.639 1.00 102.58 ? 97 TRP A N 1 +ATOM 648 C CA . TRP A 1 96 ? 24.352 93.452 -45.019 1.00 109.37 ? 97 TRP A CA 1 +ATOM 649 C C . TRP A 1 96 ? 24.678 92.379 -46.064 1.00 111.07 ? 97 TRP A C 1 +ATOM 650 O O . TRP A 1 96 ? 25.501 91.503 -45.767 1.00 108.20 ? 97 TRP A O 1 +ATOM 651 C CB . TRP A 1 96 ? 25.162 94.732 -45.272 1.00 111.90 ? 97 TRP A CB 1 +ATOM 652 C CG . TRP A 1 96 ? 26.652 94.554 -45.297 1.00 112.69 ? 97 TRP A CG 1 +ATOM 653 C CD1 . TRP A 1 96 ? 27.426 94.355 -46.400 1.00 114.22 ? 97 TRP A CD1 1 +ATOM 654 C CD2 . TRP A 1 96 ? 27.560 94.586 -44.175 1.00 111.98 ? 97 TRP A CD2 1 +ATOM 655 N NE1 . TRP A 1 96 ? 28.743 94.254 -46.047 1.00 114.64 ? 97 TRP A NE1 1 +ATOM 656 C CE2 . TRP A 1 96 ? 28.861 94.394 -44.694 1.00 111.68 ? 97 TRP A CE2 1 +ATOM 657 C CE3 . TRP A 1 96 ? 27.405 94.750 -42.791 1.00 105.68 ? 97 TRP A CE3 1 +ATOM 658 C CZ2 . TRP A 1 96 ? 29.996 94.369 -43.884 1.00 112.82 ? 97 TRP A CZ2 1 +ATOM 659 C CZ3 . TRP A 1 96 ? 28.527 94.723 -41.990 1.00 107.23 ? 97 TRP A CZ3 1 +ATOM 660 C CH2 . TRP A 1 96 ? 29.803 94.529 -42.530 1.00 111.13 ? 97 TRP A CH2 1 +ATOM 661 N N . GLY A 1 97 ? 24.092 92.505 -47.259 1.00 118.45 ? 98 GLY A N 1 +ATOM 662 C CA . GLY A 1 97 ? 24.033 91.445 -48.292 1.00 126.93 ? 98 GLY A CA 1 +ATOM 663 C C . GLY A 1 97 ? 24.934 91.686 -49.504 1.00 130.31 ? 98 GLY A C 1 +ATOM 664 O O . GLY A 1 97 ? 25.859 92.529 -49.427 1.00 131.35 ? 98 GLY A O 1 +ATOM 665 N N . SER A 1 98 ? 24.678 90.945 -50.590 1.00 128.66 ? 99 SER A N 1 +ATOM 666 C CA . SER A 1 98 ? 25.405 91.009 -51.885 1.00 128.17 ? 99 SER A CA 1 +ATOM 667 C C . SER A 1 98 ? 24.562 91.795 -52.905 1.00 127.50 ? 99 SER A C 1 +ATOM 668 O O . SER A 1 98 ? 24.999 92.895 -53.298 1.00 123.99 ? 99 SER A O 1 +ATOM 669 C CB . SER A 1 98 ? 25.751 89.623 -52.363 1.00 128.16 ? 99 SER A CB 1 +ATOM 670 N N . LEU A 1 99 ? 23.423 91.229 -53.334 1.00 128.19 ? 100 LEU A N 1 +ATOM 671 C CA . LEU A 1 99 ? 22.229 91.966 -53.846 1.00 127.33 ? 100 LEU A CA 1 +ATOM 672 C C . LEU A 1 99 ? 21.484 92.538 -52.623 1.00 125.02 ? 100 LEU A C 1 +ATOM 673 O O . LEU A 1 99 ? 21.761 92.067 -51.484 1.00 117.48 ? 100 LEU A O 1 +ATOM 674 C CB . LEU A 1 99 ? 21.349 91.023 -54.680 1.00 123.45 ? 100 LEU A CB 1 +ATOM 675 N N . ASP A 1 100 ? 20.574 93.501 -52.840 1.00 126.76 ? 101 ASP A N 1 +ATOM 676 C CA . ASP A 1 100 ? 20.074 94.447 -51.796 1.00 124.92 ? 101 ASP A CA 1 +ATOM 677 C C . ASP A 1 100 ? 18.629 94.120 -51.345 1.00 123.59 ? 101 ASP A C 1 +ATOM 678 O O . ASP A 1 100 ? 18.143 94.760 -50.372 1.00 114.84 ? 101 ASP A O 1 +ATOM 679 C CB . ASP A 1 100 ? 20.259 95.885 -52.298 1.00 124.77 ? 101 ASP A CB 1 +ATOM 680 C CG . ASP A 1 100 ? 21.704 96.206 -52.658 1.00 124.04 ? 101 ASP A CG 1 +ATOM 681 O OD1 . ASP A 1 100 ? 22.609 95.475 -52.178 1.00 119.96 ? 101 ASP A OD1 1 +ATOM 682 O OD2 . ASP A 1 100 ? 21.917 97.172 -53.424 1.00 125.05 ? 101 ASP A OD2 1 +ATOM 683 N N . GLY A 1 101 ? 17.966 93.147 -51.986 1.00 125.91 ? 102 GLY A N 1 +ATOM 684 C CA . GLY A 1 101 ? 16.668 92.592 -51.550 1.00 121.56 ? 102 GLY A CA 1 +ATOM 685 C C . GLY A 1 101 ? 16.871 91.407 -50.624 1.00 117.61 ? 102 GLY A C 1 +ATOM 686 O O . GLY A 1 101 ? 15.937 90.597 -50.497 1.00 115.19 ? 102 GLY A O 1 +ATOM 687 N N . GLN A 1 102 ? 18.047 91.401 -49.980 1.00 117.41 ? 103 GLN A N 1 +ATOM 688 C CA . GLN A 1 102 ? 18.546 90.417 -48.981 1.00 117.70 ? 103 GLN A CA 1 +ATOM 689 C C . GLN A 1 102 ? 19.670 91.116 -48.201 1.00 118.34 ? 103 GLN A C 1 +ATOM 690 O O . GLN A 1 102 ? 20.336 91.984 -48.799 1.00 126.39 ? 103 GLN A O 1 +ATOM 691 C CB . GLN A 1 102 ? 19.053 89.154 -49.679 1.00 114.30 ? 103 GLN A CB 1 +ATOM 692 C CG . GLN A 1 102 ? 19.503 89.389 -51.114 1.00 112.57 ? 103 GLN A CG 1 +ATOM 693 C CD . GLN A 1 102 ? 19.827 88.099 -51.827 1.00 114.74 ? 103 GLN A CD 1 +ATOM 694 O OE1 . GLN A 1 102 ? 19.548 87.008 -51.337 1.00 109.68 ? 103 GLN A OE1 1 +ATOM 695 N NE2 . GLN A 1 102 ? 20.425 88.218 -53.002 1.00 117.61 ? 103 GLN A NE2 1 +ATOM 696 N N . GLY A 1 103 ? 19.877 90.762 -46.927 1.00 109.16 ? 104 GLY A N 1 +ATOM 697 C CA . GLY A 1 103 ? 20.906 91.425 -46.098 1.00 104.27 ? 104 GLY A CA 1 +ATOM 698 C C . GLY A 1 103 ? 20.555 91.708 -44.643 1.00 96.16 ? 104 GLY A C 1 +ATOM 699 O O . GLY A 1 103 ? 21.477 91.747 -43.804 1.00 92.75 ? 104 GLY A O 1 +ATOM 700 N N . SER A 1 104 ? 19.281 91.957 -44.354 1.00 88.26 ? 105 SER A N 1 +ATOM 701 C CA . SER A 1 104 ? 18.771 92.169 -42.983 1.00 82.92 ? 105 SER A CA 1 +ATOM 702 C C . SER A 1 104 ? 18.638 90.825 -42.252 1.00 80.31 ? 105 SER A C 1 +ATOM 703 O O . SER A 1 104 ? 18.349 89.808 -42.939 1.00 76.95 ? 105 SER A O 1 +ATOM 704 C CB . SER A 1 104 ? 17.471 92.938 -43.042 1.00 82.73 ? 105 SER A CB 1 +ATOM 705 O OG . SER A 1 104 ? 16.388 92.092 -43.459 1.00 83.18 ? 105 SER A OG 1 +ATOM 706 N N . GLU A 1 105 ? 18.843 90.820 -40.921 1.00 75.98 ? 106 GLU A N 1 +ATOM 707 C CA . GLU A 1 105 ? 18.595 89.633 -40.062 1.00 73.15 ? 106 GLU A CA 1 +ATOM 708 C C . GLU A 1 105 ? 17.066 89.468 -39.921 1.00 71.14 ? 106 GLU A C 1 +ATOM 709 O O . GLU A 1 105 ? 16.549 88.407 -40.324 1.00 70.98 ? 106 GLU A O 1 +ATOM 710 C CB . GLU A 1 105 ? 19.408 89.709 -38.758 1.00 74.89 ? 106 GLU A CB 1 +ATOM 711 C CG . GLU A 1 105 ? 20.943 89.762 -38.941 1.00 77.52 ? 106 GLU A CG 1 +ATOM 712 C CD . GLU A 1 105 ? 21.820 88.604 -38.418 1.00 78.34 ? 106 GLU A CD 1 +ATOM 713 O OE1 . GLU A 1 105 ? 23.010 88.835 -38.100 1.00 76.40 ? 106 GLU A OE1 1 +ATOM 714 O OE2 . GLU A 1 105 ? 21.347 87.455 -38.357 1.00 82.60 ? 106 GLU A OE2 1 +ATOM 715 N N . HIS A 1 106 ? 16.321 90.465 -39.444 1.00 68.42 ? 107 HIS A N 1 +ATOM 716 C CA . HIS A 1 106 ? 14.851 90.301 -39.262 1.00 70.75 ? 107 HIS A CA 1 +ATOM 717 C C . HIS A 1 106 ? 14.144 90.582 -40.592 1.00 75.43 ? 107 HIS A C 1 +ATOM 718 O O . HIS A 1 106 ? 14.783 91.172 -41.489 1.00 79.53 ? 107 HIS A O 1 +ATOM 719 C CB . HIS A 1 106 ? 14.300 91.198 -38.145 1.00 69.58 ? 107 HIS A CB 1 +ATOM 720 C CG . HIS A 1 106 ? 14.696 90.836 -36.753 1.00 66.97 ? 107 HIS A CG 1 +ATOM 721 N ND1 . HIS A 1 106 ? 15.846 91.326 -36.166 1.00 66.10 ? 107 HIS A ND1 1 +ATOM 722 C CD2 . HIS A 1 106 ? 14.066 90.109 -35.802 1.00 66.85 ? 107 HIS A CD2 1 +ATOM 723 C CE1 . HIS A 1 106 ? 15.923 90.890 -34.916 1.00 65.28 ? 107 HIS A CE1 1 +ATOM 724 N NE2 . HIS A 1 106 ? 14.838 90.153 -34.661 1.00 64.80 ? 107 HIS A NE2 1 +ATOM 725 N N . THR A 1 107 ? 12.868 90.188 -40.712 1.00 78.47 ? 108 THR A N 1 +ATOM 726 C CA . THR A 1 107 ? 12.037 90.329 -41.944 1.00 80.70 ? 108 THR A CA 1 +ATOM 727 C C . THR A 1 107 ? 10.617 90.771 -41.547 1.00 82.23 ? 108 THR A C 1 +ATOM 728 O O . THR A 1 107 ? 10.180 90.450 -40.420 1.00 79.73 ? 108 THR A O 1 +ATOM 729 C CB . THR A 1 107 ? 12.117 89.047 -42.800 1.00 81.68 ? 108 THR A CB 1 +ATOM 730 O OG1 . THR A 1 107 ? 11.398 87.953 -42.215 1.00 79.74 ? 108 THR A OG1 1 +ATOM 731 C CG2 . THR A 1 107 ? 13.548 88.598 -43.039 1.00 80.10 ? 108 THR A CG2 1 +ATOM 732 N N . VAL A 1 108 ? 9.914 91.495 -42.426 1.00 86.44 ? 109 VAL A N 1 +ATOM 733 C CA . VAL A 1 108 ? 8.506 91.927 -42.166 1.00 88.59 ? 109 VAL A CA 1 +ATOM 734 C C . VAL A 1 108 ? 7.557 91.380 -43.242 1.00 95.75 ? 109 VAL A C 1 +ATOM 735 O O . VAL A 1 108 ? 7.570 91.896 -44.365 1.00 104.95 ? 109 VAL A O 1 +ATOM 736 C CB . VAL A 1 108 ? 8.421 93.453 -42.071 1.00 84.72 ? 109 VAL A CB 1 +ATOM 737 C CG1 . VAL A 1 108 ? 6.999 93.909 -41.792 1.00 83.87 ? 109 VAL A CG1 1 +ATOM 738 C CG2 . VAL A 1 108 ? 9.392 93.967 -41.025 1.00 82.60 ? 109 VAL A CG2 1 +ATOM 739 N N . ASP A 1 109 ? 6.709 90.414 -42.879 1.00 98.01 ? 110 ASP A N 1 +ATOM 740 C CA . ASP A 1 109 ? 5.834 89.668 -43.818 1.00 100.02 ? 110 ASP A CA 1 +ATOM 741 C C . ASP A 1 109 ? 6.737 89.060 -44.900 1.00 101.64 ? 110 ASP A C 1 +ATOM 742 O O . ASP A 1 109 ? 6.350 89.079 -46.074 1.00 109.17 ? 110 ASP A O 1 +ATOM 743 C CB . ASP A 1 109 ? 4.732 90.583 -44.358 1.00 101.82 ? 110 ASP A CB 1 +ATOM 744 C CG . ASP A 1 109 ? 3.759 91.067 -43.296 1.00 101.19 ? 110 ASP A CG 1 +ATOM 745 O OD1 . ASP A 1 109 ? 3.008 90.228 -42.744 1.00 103.28 ? 110 ASP A OD1 1 +ATOM 746 O OD2 . ASP A 1 109 ? 3.759 92.281 -43.027 1.00 102.20 ? 110 ASP A OD2 1 +ATOM 747 N N . LYS A 1 110 ? 7.907 88.561 -44.488 1.00 100.23 ? 111 LYS A N 1 +ATOM 748 C CA . LYS A 1 110 ? 8.970 87.913 -45.310 1.00 100.84 ? 111 LYS A CA 1 +ATOM 749 C C . LYS A 1 110 ? 9.718 88.937 -46.176 1.00 98.92 ? 111 LYS A C 1 +ATOM 750 O O . LYS A 1 110 ? 10.466 88.491 -47.071 1.00 99.44 ? 111 LYS A O 1 +ATOM 751 C CB . LYS A 1 110 ? 8.423 86.969 -46.389 1.00 105.87 ? 111 LYS A CB 1 +ATOM 752 C CG . LYS A 1 110 ? 7.178 86.155 -46.051 1.00 108.03 ? 111 LYS A CG 1 +ATOM 753 C CD . LYS A 1 110 ? 7.134 85.590 -44.651 1.00 105.35 ? 111 LYS A CD 1 +ATOM 754 C CE . LYS A 1 110 ? 6.553 84.192 -44.608 1.00 106.64 ? 111 LYS A CE 1 +ATOM 755 N NZ . LYS A 1 110 ? 7.445 83.213 -45.280 1.00 107.60 ? 111 LYS A NZ 1 +ATOM 756 N N . LYS A 1 111 ? 9.505 90.241 -45.953 1.00 96.50 ? 112 LYS A N 1 +ATOM 757 C CA . LYS A 1 111 ? 10.087 91.338 -46.776 1.00 97.64 ? 112 LYS A CA 1 +ATOM 758 C C . LYS A 1 111 ? 11.440 91.579 -46.095 1.00 93.61 ? 112 LYS A C 1 +ATOM 759 O O . LYS A 1 111 ? 11.486 91.527 -44.845 1.00 91.64 ? 112 LYS A O 1 +ATOM 760 C CB . LYS A 1 111 ? 9.189 92.582 -46.788 1.00 101.06 ? 112 LYS A CB 1 +ATOM 761 C CG . LYS A 1 111 ? 9.827 93.886 -47.254 1.00 106.76 ? 112 LYS A CG 1 +ATOM 762 C CD . LYS A 1 111 ? 9.220 95.142 -46.611 1.00 107.79 ? 112 LYS A CD 1 +ATOM 763 C CE . LYS A 1 111 ? 9.690 96.445 -47.236 1.00 108.14 ? 112 LYS A CE 1 +ATOM 764 N NZ . LYS A 1 111 ? 11.173 96.557 -47.263 1.00 106.82 ? 112 LYS A NZ 1 +ATOM 765 N N . LYS A 1 112 ? 12.491 91.835 -46.884 1.00 92.83 ? 113 LYS A N 1 +ATOM 766 C CA . LYS A 1 112 ? 13.900 91.967 -46.410 1.00 92.68 ? 113 LYS A CA 1 +ATOM 767 C C . LYS A 1 112 ? 14.506 93.291 -46.882 1.00 93.37 ? 113 LYS A C 1 +ATOM 768 O O . LYS A 1 112 ? 14.307 93.647 -48.057 1.00 103.83 ? 113 LYS A O 1 +ATOM 769 C CB . LYS A 1 112 ? 14.742 90.786 -46.902 1.00 92.78 ? 113 LYS A CB 1 +ATOM 770 C CG . LYS A 1 112 ? 13.946 89.493 -46.940 1.00 95.69 ? 113 LYS A CG 1 +ATOM 771 C CD . LYS A 1 112 ? 14.724 88.203 -46.834 1.00 96.93 ? 113 LYS A CD 1 +ATOM 772 C CE . LYS A 1 112 ? 13.760 87.038 -46.685 1.00 97.21 ? 113 LYS A CE 1 +ATOM 773 N NZ . LYS A 1 112 ? 14.317 85.781 -47.223 1.00 98.49 ? 113 LYS A NZ 1 +ATOM 774 N N . TYR A 1 113 ? 15.246 93.964 -45.994 1.00 89.32 ? 114 TYR A N 1 +ATOM 775 C CA . TYR A 1 113 ? 15.921 95.274 -46.223 1.00 85.89 ? 114 TYR A CA 1 +ATOM 776 C C . TYR A 1 113 ? 17.348 94.970 -46.693 1.00 85.65 ? 114 TYR A C 1 +ATOM 777 O O . TYR A 1 113 ? 17.748 93.761 -46.610 1.00 86.36 ? 114 TYR A O 1 +ATOM 778 C CB . TYR A 1 113 ? 15.814 96.133 -44.950 1.00 80.80 ? 114 TYR A CB 1 +ATOM 779 C CG . TYR A 1 113 ? 14.376 96.516 -44.598 1.00 78.13 ? 114 TYR A CG 1 +ATOM 780 C CD1 . TYR A 1 113 ? 13.487 95.604 -43.997 1.00 76.66 ? 114 TYR A CD1 1 +ATOM 781 C CD2 . TYR A 1 113 ? 13.884 97.781 -44.862 1.00 78.38 ? 114 TYR A CD2 1 +ATOM 782 C CE1 . TYR A 1 113 ? 12.162 95.947 -43.621 1.00 76.02 ? 114 TYR A CE1 1 +ATOM 783 C CE2 . TYR A 1 113 ? 12.567 98.141 -44.492 1.00 76.76 ? 114 TYR A CE2 1 +ATOM 784 C CZ . TYR A 1 113 ? 11.700 97.219 -43.868 1.00 75.69 ? 114 TYR A CZ 1 +ATOM 785 O OH . TYR A 1 113 ? 10.417 97.597 -43.587 1.00 74.14 ? 114 TYR A OH 1 +ATOM 786 N N . ALA A 1 114 ? 18.060 95.991 -47.202 1.00 85.63 ? 115 ALA A N 1 +ATOM 787 C CA . ALA A 1 114 ? 19.462 95.897 -47.690 1.00 88.26 ? 115 ALA A CA 1 +ATOM 788 C C . ALA A 1 114 ? 20.346 95.471 -46.531 1.00 85.95 ? 115 ALA A C 1 +ATOM 789 O O . ALA A 1 114 ? 21.325 94.731 -46.767 1.00 90.24 ? 115 ALA A O 1 +ATOM 790 C CB . ALA A 1 114 ? 19.958 97.215 -48.243 1.00 88.90 ? 115 ALA A CB 1 +ATOM 791 N N . ALA A 1 115 ? 19.999 95.955 -45.339 1.00 82.55 ? 116 ALA A N 1 +ATOM 792 C CA . ALA A 1 115 ? 20.829 95.829 -44.131 1.00 82.04 ? 116 ALA A CA 1 +ATOM 793 C C . ALA A 1 115 ? 19.992 96.057 -42.866 1.00 80.55 ? 116 ALA A C 1 +ATOM 794 O O . ALA A 1 115 ? 18.808 96.496 -42.961 1.00 79.14 ? 116 ALA A O 1 +ATOM 795 C CB . ALA A 1 115 ? 21.992 96.787 -44.230 1.00 81.34 ? 116 ALA A CB 1 +ATOM 796 N N . GLU A 1 116 ? 20.603 95.694 -41.734 1.00 76.29 ? 117 GLU A N 1 +ATOM 797 C CA . GLU A 1 116 ? 20.071 95.871 -40.368 1.00 73.21 ? 117 GLU A CA 1 +ATOM 798 C C . GLU A 1 116 ? 21.210 96.420 -39.521 1.00 68.84 ? 117 GLU A C 1 +ATOM 799 O O . GLU A 1 116 ? 22.359 95.960 -39.648 1.00 71.34 ? 117 GLU A O 1 +ATOM 800 C CB . GLU A 1 116 ? 19.543 94.557 -39.799 1.00 74.56 ? 117 GLU A CB 1 +ATOM 801 C CG . GLU A 1 116 ? 18.714 94.747 -38.542 1.00 75.77 ? 117 GLU A CG 1 +ATOM 802 C CD . GLU A 1 116 ? 17.868 93.550 -38.118 1.00 78.44 ? 117 GLU A CD 1 +ATOM 803 O OE1 . GLU A 1 116 ? 17.725 92.583 -38.929 1.00 78.20 ? 117 GLU A OE1 1 +ATOM 804 O OE2 . GLU A 1 116 ? 17.343 93.587 -36.962 1.00 83.89 ? 117 GLU A OE2 1 +ATOM 805 N N . LEU A 1 117 ? 20.904 97.425 -38.735 1.00 63.55 ? 118 LEU A N 1 +ATOM 806 C CA . LEU A 1 117 ? 21.857 97.994 -37.764 1.00 63.16 ? 118 LEU A CA 1 +ATOM 807 C C . LEU A 1 117 ? 21.386 97.603 -36.346 1.00 57.44 ? 118 LEU A C 1 +ATOM 808 O O . LEU A 1 117 ? 20.169 97.636 -36.061 1.00 53.33 ? 118 LEU A O 1 +ATOM 809 C CB . LEU A 1 117 ? 21.884 99.497 -38.016 1.00 66.04 ? 118 LEU A CB 1 +ATOM 810 C CG . LEU A 1 117 ? 22.378 100.317 -36.840 1.00 69.86 ? 118 LEU A CG 1 +ATOM 811 C CD1 . LEU A 1 117 ? 23.825 99.959 -36.528 1.00 72.31 ? 118 LEU A CD1 1 +ATOM 812 C CD2 . LEU A 1 117 ? 22.224 101.794 -37.144 1.00 72.56 ? 118 LEU A CD2 1 +ATOM 813 N N . HIS A 1 118 ? 22.292 97.131 -35.511 1.00 53.46 ? 119 HIS A N 1 +ATOM 814 C CA . HIS A 1 118 ? 21.938 96.567 -34.182 1.00 53.29 ? 119 HIS A CA 1 +ATOM 815 C C . HIS A 1 118 ? 22.617 97.379 -33.081 1.00 46.14 ? 119 HIS A C 1 +ATOM 816 O O . HIS A 1 118 ? 23.797 97.228 -32.934 1.00 42.38 ? 119 HIS A O 1 +ATOM 817 C CB . HIS A 1 118 ? 22.349 95.093 -34.132 1.00 56.38 ? 119 HIS A CB 1 +ATOM 818 C CG . HIS A 1 118 ? 21.431 94.176 -34.852 1.00 60.30 ? 119 HIS A CG 1 +ATOM 819 N ND1 . HIS A 1 118 ? 21.824 92.922 -35.239 1.00 66.30 ? 119 HIS A ND1 1 +ATOM 820 C CD2 . HIS A 1 118 ? 20.144 94.307 -35.234 1.00 63.04 ? 119 HIS A CD2 1 +ATOM 821 C CE1 . HIS A 1 118 ? 20.806 92.301 -35.816 1.00 67.97 ? 119 HIS A CE1 1 +ATOM 822 N NE2 . HIS A 1 118 ? 19.760 93.129 -35.821 1.00 65.04 ? 119 HIS A NE2 1 +ATOM 823 N N . LEU A 1 119 ? 21.913 98.242 -32.377 1.00 44.34 ? 120 LEU A N 1 +ATOM 824 C CA . LEU A 1 119 ? 22.546 98.916 -31.209 1.00 47.31 ? 120 LEU A CA 1 +ATOM 825 C C . LEU A 1 119 ? 22.384 98.046 -29.955 1.00 44.65 ? 120 LEU A C 1 +ATOM 826 O O . LEU A 1 119 ? 21.245 97.897 -29.512 1.00 43.48 ? 120 LEU A O 1 +ATOM 827 C CB . LEU A 1 119 ? 21.917 100.287 -30.986 1.00 49.16 ? 120 LEU A CB 1 +ATOM 828 C CG . LEU A 1 119 ? 22.108 101.296 -32.114 1.00 51.16 ? 120 LEU A CG 1 +ATOM 829 C CD1 . LEU A 1 119 ? 20.763 101.871 -32.496 1.00 53.69 ? 120 LEU A CD1 1 +ATOM 830 C CD2 . LEU A 1 119 ? 23.043 102.412 -31.703 1.00 51.32 ? 120 LEU A CD2 1 +ATOM 831 N N . VAL A 1 120 ? 23.481 97.524 -29.420 1.00 42.59 ? 121 VAL A N 1 +ATOM 832 C CA . VAL A 1 120 ? 23.484 96.507 -28.328 1.00 44.80 ? 121 VAL A CA 1 +ATOM 833 C C . VAL A 1 120 ? 23.586 97.149 -26.918 1.00 45.01 ? 121 VAL A C 1 +ATOM 834 O O . VAL A 1 120 ? 24.529 97.903 -26.688 1.00 47.91 ? 121 VAL A O 1 +ATOM 835 C CB . VAL A 1 120 ? 24.667 95.564 -28.594 1.00 45.31 ? 121 VAL A CB 1 +ATOM 836 C CG1 . VAL A 1 120 ? 24.774 94.495 -27.532 1.00 44.16 ? 121 VAL A CG1 1 +ATOM 837 C CG2 . VAL A 1 120 ? 24.614 94.961 -30.001 1.00 45.94 ? 121 VAL A CG2 1 +ATOM 838 N N . HIS A 1 121 ? 22.705 96.846 -25.970 1.00 44.30 ? 122 HIS A N 1 +ATOM 839 C CA . HIS A 1 121 ? 22.756 97.427 -24.595 1.00 46.89 ? 122 HIS A CA 1 +ATOM 840 C C . HIS A 1 121 ? 22.655 96.311 -23.574 1.00 46.84 ? 122 HIS A C 1 +ATOM 841 O O . HIS A 1 121 ? 22.061 95.292 -23.923 1.00 49.72 ? 122 HIS A O 1 +ATOM 842 C CB . HIS A 1 121 ? 21.634 98.442 -24.299 1.00 47.53 ? 122 HIS A CB 1 +ATOM 843 C CG . HIS A 1 121 ? 21.350 99.431 -25.388 1.00 49.18 ? 122 HIS A CG 1 +ATOM 844 N ND1 . HIS A 1 121 ? 20.862 99.056 -26.642 1.00 46.31 ? 122 HIS A ND1 1 +ATOM 845 C CD2 . HIS A 1 121 ? 21.443 100.785 -25.413 1.00 49.03 ? 122 HIS A CD2 1 +ATOM 846 C CE1 . HIS A 1 121 ? 20.623 100.146 -27.340 1.00 47.65 ? 122 HIS A CE1 1 +ATOM 847 N NE2 . HIS A 1 121 ? 20.994 101.208 -26.640 1.00 47.16 ? 122 HIS A NE2 1 +ATOM 848 N N . TRP A 1 122 ? 23.212 96.490 -22.381 1.00 47.19 ? 123 TRP A N 1 +ATOM 849 C CA . TRP A 1 122 ? 23.161 95.452 -21.308 1.00 48.97 ? 123 TRP A CA 1 +ATOM 850 C C . TRP A 1 122 ? 22.550 96.028 -20.037 1.00 49.11 ? 123 TRP A C 1 +ATOM 851 O O . TRP A 1 122 ? 22.866 97.187 -19.730 1.00 48.92 ? 123 TRP A O 1 +ATOM 852 C CB . TRP A 1 122 ? 24.535 94.842 -21.004 1.00 48.23 ? 123 TRP A CB 1 +ATOM 853 C CG . TRP A 1 122 ? 25.563 95.813 -20.538 1.00 48.63 ? 123 TRP A CG 1 +ATOM 854 C CD1 . TRP A 1 122 ? 26.400 96.552 -21.320 1.00 49.43 ? 123 TRP A CD1 1 +ATOM 855 C CD2 . TRP A 1 122 ? 25.898 96.116 -19.186 1.00 49.78 ? 123 TRP A CD2 1 +ATOM 856 N NE1 . TRP A 1 122 ? 27.228 97.307 -20.547 1.00 50.11 ? 123 TRP A NE1 1 +ATOM 857 C CE2 . TRP A 1 122 ? 26.946 97.050 -19.231 1.00 50.92 ? 123 TRP A CE2 1 +ATOM 858 C CE3 . TRP A 1 122 ? 25.416 95.689 -17.946 1.00 52.50 ? 123 TRP A CE3 1 +ATOM 859 C CZ2 . TRP A 1 122 ? 27.498 97.586 -18.073 1.00 53.54 ? 123 TRP A CZ2 1 +ATOM 860 C CZ3 . TRP A 1 122 ? 25.973 96.206 -16.800 1.00 54.03 ? 123 TRP A CZ3 1 +ATOM 861 C CH2 . TRP A 1 122 ? 26.996 97.151 -16.866 1.00 54.59 ? 123 TRP A CH2 1 +ATOM 862 N N . ASN A 1 123 ? 21.774 95.209 -19.330 1.00 49.27 ? 124 ASN A N 1 +ATOM 863 C CA . ASN A 1 123 ? 20.972 95.598 -18.131 1.00 53.26 ? 124 ASN A CA 1 +ATOM 864 C C . ASN A 1 123 ? 21.868 95.792 -16.874 1.00 53.13 ? 124 ASN A C 1 +ATOM 865 O O . ASN A 1 123 ? 22.477 94.805 -16.429 1.00 51.45 ? 124 ASN A O 1 +ATOM 866 C CB . ASN A 1 123 ? 19.884 94.546 -17.878 1.00 54.71 ? 124 ASN A CB 1 +ATOM 867 C CG . ASN A 1 123 ? 19.043 94.906 -16.680 1.00 59.11 ? 124 ASN A CG 1 +ATOM 868 O OD1 . ASN A 1 123 ? 19.490 95.703 -15.852 1.00 61.82 ? 124 ASN A OD1 1 +ATOM 869 N ND2 . ASN A 1 123 ? 17.854 94.327 -16.569 1.00 61.58 ? 124 ASN A ND2 1 +ATOM 870 N N . THR A 1 124 ? 21.941 97.010 -16.322 1.00 52.90 ? 125 THR A N 1 +ATOM 871 C CA . THR A 1 124 ? 22.816 97.389 -15.171 1.00 56.46 ? 125 THR A CA 1 +ATOM 872 C C . THR A 1 124 ? 22.432 96.727 -13.822 1.00 57.99 ? 125 THR A C 1 +ATOM 873 O O . THR A 1 124 ? 23.294 96.666 -12.947 1.00 56.78 ? 125 THR A O 1 +ATOM 874 C CB . THR A 1 124 ? 22.785 98.900 -14.870 1.00 56.88 ? 125 THR A CB 1 +ATOM 875 O OG1 . THR A 1 124 ? 21.455 99.372 -14.634 1.00 56.42 ? 125 THR A OG1 1 +ATOM 876 C CG2 . THR A 1 124 ? 23.391 99.711 -15.993 1.00 56.37 ? 125 THR A CG2 1 +ATOM 877 N N . LYS A 1 125 ? 21.232 96.172 -13.690 1.00 58.87 ? 126 LYS A N 1 +ATOM 878 C CA . LYS A 1 125 ? 20.847 95.112 -12.736 1.00 62.47 ? 126 LYS A CA 1 +ATOM 879 C C . LYS A 1 125 ? 22.027 94.154 -12.497 1.00 64.24 ? 126 LYS A C 1 +ATOM 880 O O . LYS A 1 125 ? 22.280 93.818 -11.300 1.00 72.61 ? 126 LYS A O 1 +ATOM 881 C CB . LYS A 1 125 ? 19.609 94.386 -13.258 1.00 64.62 ? 126 LYS A CB 1 +ATOM 882 C CG . LYS A 1 125 ? 19.181 93.176 -12.441 1.00 71.70 ? 126 LYS A CG 1 +ATOM 883 C CD . LYS A 1 125 ? 17.914 92.480 -12.921 1.00 74.93 ? 126 LYS A CD 1 +ATOM 884 C CE . LYS A 1 125 ? 16.757 93.429 -13.134 1.00 78.40 ? 126 LYS A CE 1 +ATOM 885 N NZ . LYS A 1 125 ? 15.473 92.724 -12.900 1.00 84.22 ? 126 LYS A NZ 1 +ATOM 886 N N . TYR A 1 126 ? 22.769 93.772 -13.538 1.00 62.44 ? 127 TYR A N 1 +ATOM 887 C CA . TYR A 1 126 ? 23.694 92.601 -13.527 1.00 64.52 ? 127 TYR A CA 1 +ATOM 888 C C . TYR A 1 126 ? 25.186 93.008 -13.545 1.00 65.96 ? 127 TYR A C 1 +ATOM 889 O O . TYR A 1 126 ? 26.053 92.088 -13.479 1.00 69.14 ? 127 TYR A O 1 +ATOM 890 C CB . TYR A 1 126 ? 23.391 91.643 -14.691 1.00 64.16 ? 127 TYR A CB 1 +ATOM 891 C CG . TYR A 1 126 ? 22.000 91.062 -14.672 1.00 64.60 ? 127 TYR A CG 1 +ATOM 892 C CD1 . TYR A 1 126 ? 21.552 90.367 -13.578 1.00 66.39 ? 127 TYR A CD1 1 +ATOM 893 C CD2 . TYR A 1 126 ? 21.124 91.221 -15.725 1.00 65.50 ? 127 TYR A CD2 1 +ATOM 894 C CE1 . TYR A 1 126 ? 20.276 89.846 -13.511 1.00 67.58 ? 127 TYR A CE1 1 +ATOM 895 C CE2 . TYR A 1 126 ? 19.842 90.695 -15.683 1.00 67.24 ? 127 TYR A CE2 1 +ATOM 896 C CZ . TYR A 1 126 ? 19.413 90.003 -14.566 1.00 67.80 ? 127 TYR A CZ 1 +ATOM 897 O OH . TYR A 1 126 ? 18.166 89.454 -14.451 1.00 72.03 ? 127 TYR A OH 1 +ATOM 898 N N . GLY A 1 127 ? 25.524 94.295 -13.624 1.00 64.90 ? 128 GLY A N 1 +ATOM 899 C CA . GLY A 1 127 ? 26.859 94.732 -13.157 1.00 69.62 ? 128 GLY A CA 1 +ATOM 900 C C . GLY A 1 127 ? 28.003 94.593 -14.154 1.00 70.44 ? 128 GLY A C 1 +ATOM 901 O O . GLY A 1 127 ? 29.043 95.245 -13.926 1.00 73.58 ? 128 GLY A O 1 +ATOM 902 N N . ASP A 1 128 ? 27.869 93.765 -15.188 1.00 71.02 ? 129 ASP A N 1 +ATOM 903 C CA . ASP A 1 128 ? 28.576 93.977 -16.483 1.00 69.65 ? 129 ASP A CA 1 +ATOM 904 C C . ASP A 1 128 ? 27.976 93.048 -17.544 1.00 63.56 ? 129 ASP A C 1 +ATOM 905 O O . ASP A 1 128 ? 27.121 92.171 -17.191 1.00 56.82 ? 129 ASP A O 1 +ATOM 906 C CB . ASP A 1 128 ? 30.098 93.836 -16.369 1.00 75.25 ? 129 ASP A CB 1 +ATOM 907 C CG . ASP A 1 128 ? 30.580 92.509 -15.780 1.00 83.51 ? 129 ASP A CG 1 +ATOM 908 O OD1 . ASP A 1 128 ? 29.783 91.523 -15.751 1.00 88.81 ? 129 ASP A OD1 1 +ATOM 909 O OD2 . ASP A 1 128 ? 31.762 92.458 -15.357 1.00 90.15 ? 129 ASP A OD2 1 +ATOM 910 N N . PHE A 1 129 ? 28.413 93.272 -18.791 1.00 59.81 ? 130 PHE A N 1 +ATOM 911 C CA . PHE A 1 129 ? 27.976 92.550 -20.010 1.00 57.62 ? 130 PHE A CA 1 +ATOM 912 C C . PHE A 1 129 ? 28.101 91.036 -19.803 1.00 59.81 ? 130 PHE A C 1 +ATOM 913 O O . PHE A 1 129 ? 27.166 90.270 -20.170 1.00 57.65 ? 130 PHE A O 1 +ATOM 914 C CB . PHE A 1 129 ? 28.861 92.994 -21.167 1.00 56.93 ? 130 PHE A CB 1 +ATOM 915 C CG . PHE A 1 129 ? 28.526 92.339 -22.476 1.00 55.79 ? 130 PHE A CG 1 +ATOM 916 C CD1 . PHE A 1 129 ? 27.503 92.847 -23.265 1.00 53.38 ? 130 PHE A CD1 1 +ATOM 917 C CD2 . PHE A 1 129 ? 29.217 91.217 -22.910 1.00 54.64 ? 130 PHE A CD2 1 +ATOM 918 C CE1 . PHE A 1 129 ? 27.192 92.262 -24.477 1.00 51.72 ? 130 PHE A CE1 1 +ATOM 919 C CE2 . PHE A 1 129 ? 28.894 90.637 -24.126 1.00 53.16 ? 130 PHE A CE2 1 +ATOM 920 C CZ . PHE A 1 129 ? 27.900 91.172 -24.914 1.00 51.21 ? 130 PHE A CZ 1 +ATOM 921 N N . GLY A 1 130 ? 29.248 90.630 -19.231 1.00 62.02 ? 131 GLY A N 1 +ATOM 922 C CA . GLY A 1 130 ? 29.606 89.235 -18.910 1.00 59.23 ? 131 GLY A CA 1 +ATOM 923 C C . GLY A 1 130 ? 28.506 88.566 -18.132 1.00 58.16 ? 131 GLY A C 1 +ATOM 924 O O . GLY A 1 130 ? 28.138 87.423 -18.467 1.00 59.72 ? 131 GLY A O 1 +ATOM 925 N N . LYS A 1 131 ? 27.989 89.258 -17.127 1.00 58.13 ? 132 LYS A N 1 +ATOM 926 C CA . LYS A 1 131 ? 27.046 88.654 -16.157 1.00 59.87 ? 132 LYS A CA 1 +ATOM 927 C C . LYS A 1 131 ? 25.655 88.854 -16.768 1.00 58.37 ? 132 LYS A C 1 +ATOM 928 O O . LYS A 1 131 ? 24.823 87.953 -16.612 1.00 60.06 ? 132 LYS A O 1 +ATOM 929 C CB . LYS A 1 131 ? 27.333 89.225 -14.749 1.00 62.75 ? 132 LYS A CB 1 +ATOM 930 C CG . LYS A 1 131 ? 26.801 88.459 -13.540 1.00 63.86 ? 132 LYS A CG 1 +ATOM 931 N N . ALA A 1 132 ? 25.424 89.953 -17.499 1.00 59.58 ? 133 ALA A N 1 +ATOM 932 C CA . ALA A 1 132 ? 24.142 90.204 -18.221 1.00 58.26 ? 133 ALA A CA 1 +ATOM 933 C C . ALA A 1 132 ? 23.880 89.089 -19.215 1.00 57.24 ? 133 ALA A C 1 +ATOM 934 O O . ALA A 1 132 ? 22.707 88.704 -19.279 1.00 58.82 ? 133 ALA A O 1 +ATOM 935 C CB . ALA A 1 132 ? 24.111 91.501 -18.982 1.00 57.86 ? 133 ALA A CB 1 +ATOM 936 N N . VAL A 1 133 ? 24.891 88.632 -19.983 1.00 57.10 ? 134 VAL A N 1 +ATOM 937 C CA . VAL A 1 133 ? 24.614 87.735 -21.158 1.00 58.05 ? 134 VAL A CA 1 +ATOM 938 C C . VAL A 1 133 ? 24.120 86.402 -20.613 1.00 57.42 ? 134 VAL A C 1 +ATOM 939 O O . VAL A 1 133 ? 23.506 85.627 -21.356 1.00 52.73 ? 134 VAL A O 1 +ATOM 940 C CB . VAL A 1 133 ? 25.764 87.563 -22.179 1.00 60.37 ? 134 VAL A CB 1 +ATOM 941 C CG1 . VAL A 1 133 ? 25.804 88.740 -23.145 1.00 60.99 ? 134 VAL A CG1 1 +ATOM 942 C CG2 . VAL A 1 133 ? 27.141 87.318 -21.575 1.00 60.01 ? 134 VAL A CG2 1 +ATOM 943 N N . GLN A 1 134 ? 24.303 86.197 -19.312 1.00 59.85 ? 135 GLN A N 1 +ATOM 944 C CA . GLN A 1 134 ? 23.942 84.916 -18.699 1.00 58.55 ? 135 GLN A CA 1 +ATOM 945 C C . GLN A 1 134 ? 22.483 84.953 -18.300 1.00 58.21 ? 135 GLN A C 1 +ATOM 946 O O . GLN A 1 134 ? 22.015 83.882 -17.990 1.00 61.99 ? 135 GLN A O 1 +ATOM 947 C CB . GLN A 1 134 ? 24.954 84.599 -17.617 1.00 62.82 ? 135 GLN A CB 1 +ATOM 948 C CG . GLN A 1 134 ? 26.313 84.269 -18.219 1.00 65.43 ? 135 GLN A CG 1 +ATOM 949 C CD . GLN A 1 134 ? 26.124 83.124 -19.182 1.00 69.55 ? 135 GLN A CD 1 +ATOM 950 O OE1 . GLN A 1 134 ? 25.426 82.148 -18.881 1.00 74.85 ? 135 GLN A OE1 1 +ATOM 951 N NE2 . GLN A 1 134 ? 26.692 83.256 -20.371 1.00 71.55 ? 135 GLN A NE2 1 +ATOM 952 N N . GLN A 1 135 ? 21.764 86.074 -18.431 1.00 57.88 ? 136 GLN A N 1 +ATOM 953 C CA . GLN A 1 135 ? 20.328 86.144 -18.023 1.00 59.47 ? 136 GLN A CA 1 +ATOM 954 C C . GLN A 1 135 ? 19.391 86.356 -19.213 1.00 61.00 ? 136 GLN A C 1 +ATOM 955 O O . GLN A 1 135 ? 19.784 86.908 -20.234 1.00 55.85 ? 136 GLN A O 1 +ATOM 956 C CB . GLN A 1 135 ? 20.088 87.303 -17.064 1.00 61.79 ? 136 GLN A CB 1 +ATOM 957 C CG . GLN A 1 135 ? 21.264 87.578 -16.132 1.00 64.38 ? 136 GLN A CG 1 +ATOM 958 C CD . GLN A 1 135 ? 21.515 86.425 -15.200 1.00 62.57 ? 136 GLN A CD 1 +ATOM 959 O OE1 . GLN A 1 135 ? 20.564 85.780 -14.759 1.00 59.97 ? 136 GLN A OE1 1 +ATOM 960 N NE2 . GLN A 1 135 ? 22.795 86.148 -14.959 1.00 61.05 ? 136 GLN A NE2 1 +ATOM 961 N N . PRO A 1 136 ? 18.096 85.984 -19.070 1.00 62.44 ? 137 PRO A N 1 +ATOM 962 C CA . PRO A 1 136 ? 17.076 86.234 -20.089 1.00 62.25 ? 137 PRO A CA 1 +ATOM 963 C C . PRO A 1 136 ? 16.802 87.717 -20.342 1.00 62.23 ? 137 PRO A C 1 +ATOM 964 O O . PRO A 1 136 ? 16.544 88.043 -21.495 1.00 68.19 ? 137 PRO A O 1 +ATOM 965 C CB . PRO A 1 136 ? 15.763 85.665 -19.535 1.00 63.14 ? 137 PRO A CB 1 +ATOM 966 C CG . PRO A 1 136 ? 16.193 84.789 -18.382 1.00 64.30 ? 137 PRO A CG 1 +ATOM 967 C CD . PRO A 1 136 ? 17.540 85.298 -17.900 1.00 62.99 ? 137 PRO A CD 1 +ATOM 968 N N . ASP A 1 137 ? 16.828 88.539 -19.287 1.00 58.24 ? 138 ASP A N 1 +ATOM 969 C CA . ASP A 1 137 ? 16.644 90.009 -19.363 1.00 57.76 ? 138 ASP A CA 1 +ATOM 970 C C . ASP A 1 137 ? 18.021 90.689 -19.336 1.00 57.10 ? 138 ASP A C 1 +ATOM 971 O O . ASP A 1 137 ? 18.110 91.848 -18.867 1.00 59.08 ? 138 ASP A O 1 +ATOM 972 C CB . ASP A 1 137 ? 15.730 90.517 -18.248 1.00 60.65 ? 138 ASP A CB 1 +ATOM 973 C CG . ASP A 1 137 ? 16.299 90.401 -16.819 1.00 64.62 ? 138 ASP A CG 1 +ATOM 974 O OD1 . ASP A 1 137 ? 17.125 89.485 -16.561 1.00 65.05 ? 138 ASP A OD1 1 +ATOM 975 O OD2 . ASP A 1 137 ? 15.908 91.225 -15.961 1.00 65.79 ? 138 ASP A OD2 1 +ATOM 976 N N . GLY A 1 138 ? 19.045 90.041 -19.888 1.00 53.16 ? 139 GLY A N 1 +ATOM 977 C CA . GLY A 1 138 ? 20.431 90.547 -19.872 1.00 52.67 ? 139 GLY A CA 1 +ATOM 978 C C . GLY A 1 138 ? 20.704 91.680 -20.853 1.00 52.63 ? 139 GLY A C 1 +ATOM 979 O O . GLY A 1 138 ? 21.286 92.704 -20.409 1.00 55.67 ? 139 GLY A O 1 +ATOM 980 N N . LEU A 1 139 ? 20.409 91.498 -22.157 1.00 51.08 ? 140 LEU A N 1 +ATOM 981 C CA . LEU A 1 139 ? 20.684 92.506 -23.212 1.00 48.32 ? 140 LEU A CA 1 +ATOM 982 C C . LEU A 1 139 ? 19.367 93.011 -23.776 1.00 48.54 ? 140 LEU A C 1 +ATOM 983 O O . LEU A 1 139 ? 18.437 92.241 -23.816 1.00 52.65 ? 140 LEU A O 1 +ATOM 984 C CB . LEU A 1 139 ? 21.465 91.915 -24.375 1.00 48.03 ? 140 LEU A CB 1 +ATOM 985 C CG . LEU A 1 139 ? 22.809 91.248 -24.110 1.00 48.42 ? 140 LEU A CG 1 +ATOM 986 C CD1 . LEU A 1 139 ? 23.679 91.402 -25.349 1.00 47.17 ? 140 LEU A CD1 1 +ATOM 987 C CD2 . LEU A 1 139 ? 23.522 91.791 -22.883 1.00 48.62 ? 140 LEU A CD2 1 +ATOM 988 N N . ALA A 1 140 ? 19.347 94.250 -24.250 1.00 47.30 ? 141 ALA A N 1 +ATOM 989 C CA . ALA A 1 140 ? 18.269 94.855 -25.048 1.00 47.87 ? 141 ALA A CA 1 +ATOM 990 C C . ALA A 1 140 ? 18.914 95.314 -26.356 1.00 48.27 ? 141 ALA A C 1 +ATOM 991 O O . ALA A 1 140 ? 19.889 96.029 -26.253 1.00 50.95 ? 141 ALA A O 1 +ATOM 992 C CB . ALA A 1 140 ? 17.702 96.002 -24.270 1.00 48.18 ? 141 ALA A CB 1 +ATOM 993 N N . VAL A 1 141 ? 18.496 94.834 -27.519 1.00 48.69 ? 142 VAL A N 1 +ATOM 994 C CA . VAL A 1 141 ? 19.187 95.169 -28.811 1.00 49.56 ? 142 VAL A CA 1 +ATOM 995 C C . VAL A 1 141 ? 18.213 95.963 -29.648 1.00 49.31 ? 142 VAL A C 1 +ATOM 996 O O . VAL A 1 141 ? 17.113 95.470 -29.907 1.00 49.70 ? 142 VAL A O 1 +ATOM 997 C CB . VAL A 1 141 ? 19.661 93.966 -29.633 1.00 50.64 ? 142 VAL A CB 1 +ATOM 998 C CG1 . VAL A 1 141 ? 20.252 94.416 -30.952 1.00 52.70 ? 142 VAL A CG1 1 +ATOM 999 C CG2 . VAL A 1 141 ? 20.662 93.131 -28.865 1.00 52.16 ? 142 VAL A CG2 1 +ATOM 1000 N N . LEU A 1 142 ? 18.595 97.171 -29.999 1.00 49.50 ? 143 LEU A N 1 +ATOM 1001 C CA . LEU A 1 142 ? 17.683 98.087 -30.714 1.00 52.04 ? 143 LEU A CA 1 +ATOM 1002 C C . LEU A 1 142 ? 17.896 97.894 -32.241 1.00 50.89 ? 143 LEU A C 1 +ATOM 1003 O O . LEU A 1 142 ? 18.949 98.276 -32.764 1.00 48.39 ? 143 LEU A O 1 +ATOM 1004 C CB . LEU A 1 142 ? 18.003 99.476 -30.169 1.00 52.91 ? 143 LEU A CB 1 +ATOM 1005 C CG . LEU A 1 142 ? 17.302 100.612 -30.885 1.00 57.72 ? 143 LEU A CG 1 +ATOM 1006 C CD1 . LEU A 1 142 ? 15.807 100.373 -30.894 1.00 59.93 ? 143 LEU A CD1 1 +ATOM 1007 C CD2 . LEU A 1 142 ? 17.649 101.931 -30.232 1.00 58.48 ? 143 LEU A CD2 1 +ATOM 1008 N N . GLY A 1 143 ? 16.986 97.194 -32.907 1.00 51.38 ? 144 GLY A N 1 +ATOM 1009 C CA . GLY A 1 143 ? 17.128 96.798 -34.332 1.00 54.23 ? 144 GLY A CA 1 +ATOM 1010 C C . GLY A 1 143 ? 16.575 97.824 -35.321 1.00 52.54 ? 144 GLY A C 1 +ATOM 1011 O O . GLY A 1 143 ? 15.357 98.067 -35.282 1.00 51.37 ? 144 GLY A O 1 +ATOM 1012 N N . ILE A 1 144 ? 17.427 98.373 -36.192 1.00 52.31 ? 145 ILE A N 1 +ATOM 1013 C CA . ILE A 1 144 ? 17.039 99.394 -37.215 1.00 56.38 ? 145 ILE A CA 1 +ATOM 1014 C C . ILE A 1 144 ? 17.330 98.935 -38.662 1.00 57.78 ? 145 ILE A C 1 +ATOM 1015 O O . ILE A 1 144 ? 18.500 98.661 -39.026 1.00 56.53 ? 145 ILE A O 1 +ATOM 1016 C CB . ILE A 1 144 ? 17.762 100.707 -36.889 1.00 55.80 ? 145 ILE A CB 1 +ATOM 1017 C CG1 . ILE A 1 144 ? 17.501 101.119 -35.448 1.00 54.59 ? 145 ILE A CG1 1 +ATOM 1018 C CG2 . ILE A 1 144 ? 17.364 101.813 -37.857 1.00 57.02 ? 145 ILE A CG2 1 +ATOM 1019 C CD1 . ILE A 1 144 ? 18.064 102.480 -35.120 1.00 54.78 ? 145 ILE A CD1 1 +ATOM 1020 N N . PHE A 1 145 ? 16.323 98.949 -39.522 1.00 61.29 ? 146 PHE A N 1 +ATOM 1021 C CA . PHE A 1 145 ? 16.508 98.571 -40.954 1.00 63.74 ? 146 PHE A CA 1 +ATOM 1022 C C . PHE A 1 145 ? 17.169 99.692 -41.784 1.00 65.73 ? 146 PHE A C 1 +ATOM 1023 O O . PHE A 1 145 ? 17.012 100.901 -41.500 1.00 64.94 ? 146 PHE A O 1 +ATOM 1024 C CB . PHE A 1 145 ? 15.156 98.180 -41.546 1.00 62.95 ? 146 PHE A CB 1 +ATOM 1025 C CG . PHE A 1 145 ? 14.536 96.976 -40.866 1.00 60.58 ? 146 PHE A CG 1 +ATOM 1026 C CD1 . PHE A 1 145 ? 15.153 95.739 -40.925 1.00 60.62 ? 146 PHE A CD1 1 +ATOM 1027 C CD2 . PHE A 1 145 ? 13.326 97.070 -40.192 1.00 60.25 ? 146 PHE A CD2 1 +ATOM 1028 C CE1 . PHE A 1 145 ? 14.562 94.618 -40.344 1.00 60.67 ? 146 PHE A CE1 1 +ATOM 1029 C CE2 . PHE A 1 145 ? 12.745 95.951 -39.592 1.00 60.33 ? 146 PHE A CE2 1 +ATOM 1030 C CZ . PHE A 1 145 ? 13.361 94.723 -39.668 1.00 59.75 ? 146 PHE A CZ 1 +ATOM 1031 N N . LEU A 1 146 ? 17.888 99.289 -42.834 1.00 69.69 ? 147 LEU A N 1 +ATOM 1032 C CA . LEU A 1 146 ? 18.390 100.201 -43.901 1.00 72.95 ? 147 LEU A CA 1 +ATOM 1033 C C . LEU A 1 146 ? 17.723 99.883 -45.240 1.00 77.27 ? 147 LEU A C 1 +ATOM 1034 O O . LEU A 1 146 ? 17.937 98.759 -45.740 1.00 79.54 ? 147 LEU A O 1 +ATOM 1035 C CB . LEU A 1 146 ? 19.903 100.049 -44.033 1.00 72.24 ? 147 LEU A CB 1 +ATOM 1036 C CG . LEU A 1 146 ? 20.699 100.900 -43.055 1.00 71.39 ? 147 LEU A CG 1 +ATOM 1037 C CD1 . LEU A 1 146 ? 20.505 100.389 -41.629 1.00 69.98 ? 147 LEU A CD1 1 +ATOM 1038 C CD2 . LEU A 1 146 ? 22.169 100.939 -43.449 1.00 71.66 ? 147 LEU A CD2 1 +ATOM 1039 N N . LYS A 1 147 ? 16.927 100.837 -45.754 1.00 79.90 ? 148 LYS A N 1 +ATOM 1040 C CA . LYS A 1 147 ? 16.496 100.977 -47.174 1.00 78.14 ? 148 LYS A CA 1 +ATOM 1041 C C . LYS A 1 147 ? 17.544 101.857 -47.838 1.00 80.94 ? 148 LYS A C 1 +ATOM 1042 O O . LYS A 1 147 ? 17.995 102.814 -47.205 1.00 76.97 ? 148 LYS A O 1 +ATOM 1043 C CB . LYS A 1 147 ? 15.134 101.666 -47.321 1.00 75.15 ? 148 LYS A CB 1 +ATOM 1044 N N . VAL A 1 148 ? 17.904 101.549 -49.080 1.00 91.18 ? 149 VAL A N 1 +ATOM 1045 C CA . VAL A 1 148 ? 18.771 102.439 -49.918 1.00 92.68 ? 149 VAL A CA 1 +ATOM 1046 C C . VAL A 1 148 ? 17.876 103.461 -50.672 1.00 95.09 ? 149 VAL A C 1 +ATOM 1047 O O . VAL A 1 148 ? 16.760 103.069 -51.225 1.00 91.15 ? 149 VAL A O 1 +ATOM 1048 C CB . VAL A 1 148 ? 19.710 101.636 -50.841 1.00 92.60 ? 149 VAL A CB 1 +ATOM 1049 C CG1 . VAL A 1 148 ? 18.975 100.567 -51.645 1.00 92.23 ? 149 VAL A CG1 1 +ATOM 1050 C CG2 . VAL A 1 148 ? 20.525 102.563 -51.722 1.00 96.35 ? 149 VAL A CG2 1 +ATOM 1051 N N . GLY A 1 149 ? 18.321 104.730 -50.640 1.00 100.73 ? 150 GLY A N 1 +ATOM 1052 C CA . GLY A 1 149 ? 17.531 105.950 -50.909 1.00 107.53 ? 150 GLY A CA 1 +ATOM 1053 C C . GLY A 1 149 ? 18.355 107.200 -50.603 1.00 115.80 ? 150 GLY A C 1 +ATOM 1054 O O . GLY A 1 149 ? 19.615 107.152 -50.798 1.00 115.70 ? 150 GLY A O 1 +ATOM 1055 N N . SER A 1 150 ? 17.702 108.279 -50.131 1.00 122.88 ? 151 SER A N 1 +ATOM 1056 C CA . SER A 1 150 ? 18.362 109.529 -49.652 1.00 128.87 ? 151 SER A CA 1 +ATOM 1057 C C . SER A 1 150 ? 19.575 109.170 -48.775 1.00 129.67 ? 151 SER A C 1 +ATOM 1058 O O . SER A 1 150 ? 19.546 108.090 -48.146 1.00 132.55 ? 151 SER A O 1 +ATOM 1059 C CB . SER A 1 150 ? 17.384 110.425 -48.910 1.00 130.19 ? 151 SER A CB 1 +ATOM 1060 O OG . SER A 1 150 ? 16.390 110.948 -49.786 1.00 134.85 ? 151 SER A OG 1 +ATOM 1061 N N . ALA A 1 151 ? 20.602 110.033 -48.735 1.00 131.91 ? 152 ALA A N 1 +ATOM 1062 C CA . ALA A 1 151 ? 21.876 109.819 -47.996 1.00 130.70 ? 152 ALA A CA 1 +ATOM 1063 C C . ALA A 1 151 ? 21.621 109.778 -46.482 1.00 126.98 ? 152 ALA A C 1 +ATOM 1064 O O . ALA A 1 151 ? 20.477 110.059 -46.037 1.00 129.23 ? 152 ALA A O 1 +ATOM 1065 C CB . ALA A 1 151 ? 22.891 110.888 -48.340 1.00 129.91 ? 152 ALA A CB 1 +ATOM 1066 N N . LYS A 1 152 ? 22.649 109.411 -45.715 1.00 118.57 ? 153 LYS A N 1 +ATOM 1067 C CA . LYS A 1 152 ? 22.587 109.407 -44.235 1.00 110.38 ? 153 LYS A CA 1 +ATOM 1068 C C . LYS A 1 152 ? 23.831 110.109 -43.694 1.00 107.36 ? 153 LYS A C 1 +ATOM 1069 O O . LYS A 1 152 ? 24.922 109.535 -43.715 1.00 99.04 ? 153 LYS A O 1 +ATOM 1070 C CB . LYS A 1 152 ? 22.414 107.975 -43.725 1.00 107.60 ? 153 LYS A CB 1 +ATOM 1071 C CG . LYS A 1 152 ? 21.935 107.855 -42.282 1.00 102.06 ? 153 LYS A CG 1 +ATOM 1072 C CD . LYS A 1 152 ? 20.476 108.214 -42.084 1.00 98.77 ? 153 LYS A CD 1 +ATOM 1073 C CE . LYS A 1 152 ? 20.184 108.588 -40.646 1.00 95.48 ? 153 LYS A CE 1 +ATOM 1074 N NZ . LYS A 1 152 ? 18.740 108.802 -40.393 1.00 93.94 ? 153 LYS A NZ 1 +ATOM 1075 N N . PRO A 1 153 ? 23.697 111.381 -43.227 1.00 106.82 ? 154 PRO A N 1 +ATOM 1076 C CA . PRO A 1 153 ? 24.827 112.131 -42.673 1.00 104.16 ? 154 PRO A CA 1 +ATOM 1077 C C . PRO A 1 153 ? 25.314 111.473 -41.375 1.00 99.65 ? 154 PRO A C 1 +ATOM 1078 O O . PRO A 1 153 ? 26.516 111.395 -41.188 1.00 100.50 ? 154 PRO A O 1 +ATOM 1079 C CB . PRO A 1 153 ? 24.284 113.549 -42.428 1.00 104.13 ? 154 PRO A CB 1 +ATOM 1080 C CG . PRO A 1 153 ? 22.775 113.370 -42.339 1.00 104.01 ? 154 PRO A CG 1 +ATOM 1081 C CD . PRO A 1 153 ? 22.447 112.167 -43.203 1.00 104.08 ? 154 PRO A CD 1 +ATOM 1082 N N . GLY A 1 154 ? 24.386 110.998 -40.536 1.00 93.52 ? 155 GLY A N 1 +ATOM 1083 C CA . GLY A 1 154 ? 24.721 110.182 -39.354 1.00 93.16 ? 155 GLY A CA 1 +ATOM 1084 C C . GLY A 1 154 ? 25.719 109.098 -39.719 1.00 92.93 ? 155 GLY A C 1 +ATOM 1085 O O . GLY A 1 154 ? 26.807 109.031 -39.105 1.00 92.74 ? 155 GLY A O 1 +ATOM 1086 N N . LEU A 1 155 ? 25.382 108.316 -40.741 1.00 92.02 ? 156 LEU A N 1 +ATOM 1087 C CA . LEU A 1 155 ? 26.184 107.160 -41.211 1.00 90.34 ? 156 LEU A CA 1 +ATOM 1088 C C . LEU A 1 155 ? 27.510 107.644 -41.808 1.00 89.14 ? 156 LEU A C 1 +ATOM 1089 O O . LEU A 1 155 ? 28.488 106.922 -41.677 1.00 88.42 ? 156 LEU A O 1 +ATOM 1090 C CB . LEU A 1 155 ? 25.331 106.401 -42.230 1.00 91.95 ? 156 LEU A CB 1 +ATOM 1091 C CG . LEU A 1 155 ? 25.720 104.963 -42.586 1.00 93.82 ? 156 LEU A CG 1 +ATOM 1092 C CD1 . LEU A 1 155 ? 25.824 104.043 -41.380 1.00 92.75 ? 156 LEU A CD1 1 +ATOM 1093 C CD2 . LEU A 1 155 ? 24.742 104.393 -43.608 1.00 94.66 ? 156 LEU A CD2 1 +ATOM 1094 N N . GLN A 1 156 ? 27.551 108.826 -42.424 1.00 93.02 ? 157 GLN A N 1 +ATOM 1095 C CA . GLN A 1 156 ? 28.686 109.244 -43.296 1.00 98.70 ? 157 GLN A CA 1 +ATOM 1096 C C . GLN A 1 156 ? 29.997 109.168 -42.496 1.00 97.08 ? 157 GLN A C 1 +ATOM 1097 O O . GLN A 1 156 ? 30.984 108.637 -43.043 1.00 101.48 ? 157 GLN A O 1 +ATOM 1098 C CB . GLN A 1 156 ? 28.430 110.616 -43.943 1.00 100.91 ? 157 GLN A CB 1 +ATOM 1099 C CG . GLN A 1 156 ? 29.554 111.100 -44.860 1.00 103.65 ? 157 GLN A CG 1 +ATOM 1100 C CD . GLN A 1 156 ? 30.126 110.015 -45.750 1.00 107.67 ? 157 GLN A CD 1 +ATOM 1101 O OE1 . GLN A 1 156 ? 29.426 109.427 -46.578 1.00 110.10 ? 157 GLN A OE1 1 +ATOM 1102 N NE2 . GLN A 1 156 ? 31.415 109.725 -45.579 1.00 106.27 ? 157 GLN A NE2 1 +ATOM 1103 N N . LYS A 1 157 ? 30.007 109.604 -41.236 1.00 95.20 ? 158 LYS A N 1 +ATOM 1104 C CA . LYS A 1 157 ? 31.238 109.622 -40.397 1.00 97.97 ? 158 LYS A CA 1 +ATOM 1105 C C . LYS A 1 157 ? 31.837 108.210 -40.260 1.00 92.84 ? 158 LYS A C 1 +ATOM 1106 O O . LYS A 1 157 ? 33.008 108.124 -39.913 1.00 89.68 ? 158 LYS A O 1 +ATOM 1107 C CB . LYS A 1 157 ? 30.940 110.251 -39.030 1.00 102.99 ? 158 LYS A CB 1 +ATOM 1108 C CG . LYS A 1 157 ? 32.123 110.316 -38.066 1.00 107.31 ? 158 LYS A CG 1 +ATOM 1109 C CD . LYS A 1 157 ? 31.972 111.328 -36.927 1.00 109.31 ? 158 LYS A CD 1 +ATOM 1110 C CE . LYS A 1 157 ? 32.508 110.823 -35.594 1.00 110.55 ? 158 LYS A CE 1 +ATOM 1111 N NZ . LYS A 1 157 ? 33.912 110.329 -35.655 1.00 109.59 ? 158 LYS A NZ 1 +ATOM 1112 N N . VAL A 1 158 ? 31.069 107.155 -40.542 1.00 95.09 ? 159 VAL A N 1 +ATOM 1113 C CA . VAL A 1 158 ? 31.466 105.722 -40.374 1.00 97.69 ? 159 VAL A CA 1 +ATOM 1114 C C . VAL A 1 158 ? 32.088 105.211 -41.668 1.00 101.44 ? 159 VAL A C 1 +ATOM 1115 O O . VAL A 1 158 ? 33.288 104.934 -41.661 1.00 102.41 ? 159 VAL A O 1 +ATOM 1116 C CB . VAL A 1 158 ? 30.263 104.834 -40.002 1.00 97.09 ? 159 VAL A CB 1 +ATOM 1117 C CG1 . VAL A 1 158 ? 30.614 103.355 -40.056 1.00 95.39 ? 159 VAL A CG1 1 +ATOM 1118 C CG2 . VAL A 1 158 ? 29.684 105.213 -38.645 1.00 97.30 ? 159 VAL A CG2 1 +ATOM 1119 N N . VAL A 1 159 ? 31.261 105.021 -42.700 1.00 105.41 ? 160 VAL A N 1 +ATOM 1120 C CA . VAL A 1 159 ? 31.694 104.636 -44.074 1.00 111.56 ? 160 VAL A CA 1 +ATOM 1121 C C . VAL A 1 159 ? 33.046 105.230 -44.480 1.00 113.60 ? 160 VAL A C 1 +ATOM 1122 O O . VAL A 1 159 ? 33.883 104.489 -45.034 1.00 114.04 ? 160 VAL A O 1 +ATOM 1123 C CB . VAL A 1 159 ? 30.695 105.157 -45.128 1.00 115.46 ? 160 VAL A CB 1 +ATOM 1124 C CG1 . VAL A 1 159 ? 31.314 105.296 -46.515 1.00 118.28 ? 160 VAL A CG1 1 +ATOM 1125 C CG2 . VAL A 1 159 ? 29.453 104.281 -45.181 1.00 115.19 ? 160 VAL A CG2 1 +ATOM 1126 N N . ASP A 1 160 ? 33.248 106.514 -44.178 1.00 114.85 ? 161 ASP A N 1 +ATOM 1127 C CA . ASP A 1 160 ? 34.522 107.253 -44.381 1.00 117.03 ? 161 ASP A CA 1 +ATOM 1128 C C . ASP A 1 160 ? 35.684 106.295 -44.065 1.00 112.50 ? 161 ASP A C 1 +ATOM 1129 O O . ASP A 1 160 ? 36.413 105.897 -45.001 1.00 109.70 ? 161 ASP A O 1 +ATOM 1130 C CB . ASP A 1 160 ? 34.454 108.469 -43.452 1.00 119.99 ? 161 ASP A CB 1 +ATOM 1131 C CG . ASP A 1 160 ? 35.665 109.389 -43.484 1.00 125.81 ? 161 ASP A CG 1 +ATOM 1132 O OD1 . ASP A 1 160 ? 36.805 108.878 -43.687 1.00 129.52 ? 161 ASP A OD1 1 +ATOM 1133 O OD2 . ASP A 1 160 ? 35.463 110.613 -43.277 1.00 125.29 ? 161 ASP A OD2 1 +ATOM 1134 N N . VAL A 1 161 ? 35.802 105.886 -42.801 1.00 110.03 ? 162 VAL A N 1 +ATOM 1135 C CA . VAL A 1 161 ? 37.029 105.271 -42.212 1.00 111.32 ? 162 VAL A CA 1 +ATOM 1136 C C . VAL A 1 161 ? 37.058 103.750 -42.457 1.00 112.13 ? 162 VAL A C 1 +ATOM 1137 O O . VAL A 1 161 ? 37.974 103.094 -41.918 1.00 110.20 ? 162 VAL A O 1 +ATOM 1138 C CB . VAL A 1 161 ? 37.123 105.623 -40.711 1.00 108.53 ? 162 VAL A CB 1 +ATOM 1139 C CG1 . VAL A 1 161 ? 36.179 104.787 -39.864 1.00 107.79 ? 162 VAL A CG1 1 +ATOM 1140 C CG2 . VAL A 1 161 ? 38.545 105.523 -40.173 1.00 110.60 ? 162 VAL A CG2 1 +ATOM 1141 N N . LEU A 1 162 ? 36.142 103.203 -43.269 1.00 116.00 ? 163 LEU A N 1 +ATOM 1142 C CA . LEU A 1 162 ? 35.942 101.731 -43.418 1.00 119.49 ? 163 LEU A CA 1 +ATOM 1143 C C . LEU A 1 162 ? 37.203 101.081 -44.010 1.00 126.58 ? 163 LEU A C 1 +ATOM 1144 O O . LEU A 1 162 ? 37.390 99.864 -43.813 1.00 125.76 ? 163 LEU A O 1 +ATOM 1145 C CB . LEU A 1 162 ? 34.711 101.459 -44.291 1.00 114.98 ? 163 LEU A CB 1 +ATOM 1146 N N . ASP A 1 163 ? 38.052 101.860 -44.685 1.00 133.74 ? 164 ASP A N 1 +ATOM 1147 C CA . ASP A 1 163 ? 39.228 101.347 -45.437 1.00 139.43 ? 164 ASP A CA 1 +ATOM 1148 C C . ASP A 1 163 ? 40.468 101.324 -44.528 1.00 138.52 ? 164 ASP A C 1 +ATOM 1149 O O . ASP A 1 163 ? 41.381 100.516 -44.813 1.00 143.84 ? 164 ASP A O 1 +ATOM 1150 C CB . ASP A 1 163 ? 39.417 102.141 -46.733 1.00 144.93 ? 164 ASP A CB 1 +ATOM 1151 C CG . ASP A 1 163 ? 38.163 102.151 -47.596 1.00 146.51 ? 164 ASP A CG 1 +ATOM 1152 O OD1 . ASP A 1 163 ? 37.169 102.795 -47.179 1.00 147.31 ? 164 ASP A OD1 1 +ATOM 1153 O OD2 . ASP A 1 163 ? 38.170 101.485 -48.654 1.00 145.29 ? 164 ASP A OD2 1 +ATOM 1154 N N . SER A 1 164 ? 40.501 102.134 -43.462 1.00 131.55 ? 165 SER A N 1 +ATOM 1155 C CA . SER A 1 164 ? 41.548 102.057 -42.407 1.00 128.92 ? 165 SER A CA 1 +ATOM 1156 C C . SER A 1 164 ? 41.276 100.844 -41.497 1.00 125.65 ? 165 SER A C 1 +ATOM 1157 O O . SER A 1 164 ? 41.989 100.699 -40.479 1.00 121.75 ? 165 SER A O 1 +ATOM 1158 C CB . SER A 1 164 ? 41.668 103.357 -41.630 1.00 128.17 ? 165 SER A CB 1 +ATOM 1159 O OG . SER A 1 164 ? 40.837 103.376 -40.475 1.00 124.01 ? 165 SER A OG 1 +ATOM 1160 N N . ILE A 1 165 ? 40.274 100.017 -41.840 1.00 122.55 ? 166 ILE A N 1 +ATOM 1161 C CA . ILE A 1 165 ? 40.041 98.657 -41.260 1.00 119.90 ? 166 ILE A CA 1 +ATOM 1162 C C . ILE A 1 165 ? 39.550 97.705 -42.374 1.00 119.64 ? 166 ILE A C 1 +ATOM 1163 O O . ILE A 1 165 ? 38.433 97.163 -42.253 1.00 115.13 ? 166 ILE A O 1 +ATOM 1164 C CB . ILE A 1 165 ? 39.071 98.726 -40.051 1.00 117.54 ? 166 ILE A CB 1 +ATOM 1165 C CG1 . ILE A 1 165 ? 37.728 99.384 -40.392 1.00 115.23 ? 166 ILE A CG1 1 +ATOM 1166 C CG2 . ILE A 1 165 ? 39.729 99.412 -38.861 1.00 116.24 ? 166 ILE A CG2 1 +ATOM 1167 C CD1 . ILE A 1 165 ? 36.551 98.787 -39.650 1.00 110.77 ? 166 ILE A CD1 1 +ATOM 1168 N N . LYS A 1 166 ? 40.366 97.479 -43.414 1.00 121.56 ? 167 LYS A N 1 +ATOM 1169 C CA . LYS A 1 166 ? 40.004 96.671 -44.620 1.00 119.31 ? 167 LYS A CA 1 +ATOM 1170 C C . LYS A 1 166 ? 39.671 95.224 -44.215 1.00 116.58 ? 167 LYS A C 1 +ATOM 1171 O O . LYS A 1 166 ? 38.625 94.700 -44.686 1.00 110.11 ? 167 LYS A O 1 +ATOM 1172 C CB . LYS A 1 166 ? 41.136 96.707 -45.656 1.00 118.51 ? 167 LYS A CB 1 +ATOM 1173 N N . THR A 1 167 ? 40.510 94.624 -43.355 1.00 117.49 ? 168 THR A N 1 +ATOM 1174 C CA . THR A 1 167 ? 40.640 93.151 -43.150 1.00 118.70 ? 168 THR A CA 1 +ATOM 1175 C C . THR A 1 167 ? 40.393 92.774 -41.680 1.00 114.01 ? 168 THR A C 1 +ATOM 1176 O O . THR A 1 167 ? 40.460 93.693 -40.804 1.00 111.58 ? 168 THR A O 1 +ATOM 1177 C CB . THR A 1 167 ? 42.025 92.645 -43.595 1.00 122.20 ? 168 THR A CB 1 +ATOM 1178 O OG1 . THR A 1 167 ? 42.978 93.029 -42.602 1.00 121.74 ? 168 THR A OG1 1 +ATOM 1179 C CG2 . THR A 1 167 ? 42.465 93.161 -44.953 1.00 124.64 ? 168 THR A CG2 1 +ATOM 1180 N N . LYS A 1 168 ? 40.140 91.470 -41.438 1.00 111.80 ? 169 LYS A N 1 +ATOM 1181 C CA . LYS A 1 168 ? 39.856 90.853 -40.104 1.00 107.18 ? 169 LYS A CA 1 +ATOM 1182 C C . LYS A 1 168 ? 40.987 91.232 -39.140 1.00 106.61 ? 169 LYS A C 1 +ATOM 1183 O O . LYS A 1 168 ? 42.150 91.037 -39.517 1.00 111.52 ? 169 LYS A O 1 +ATOM 1184 C CB . LYS A 1 168 ? 39.698 89.325 -40.199 1.00 99.41 ? 169 LYS A CB 1 +ATOM 1185 N N . GLY A 1 169 ? 40.659 91.809 -37.976 1.00 103.60 ? 170 GLY A N 1 +ATOM 1186 C CA . GLY A 1 169 ? 41.612 92.054 -36.874 1.00 100.40 ? 170 GLY A CA 1 +ATOM 1187 C C . GLY A 1 169 ? 42.049 93.511 -36.768 1.00 99.63 ? 170 GLY A C 1 +ATOM 1188 O O . GLY A 1 169 ? 42.350 93.956 -35.618 1.00 100.91 ? 170 GLY A O 1 +ATOM 1189 N N . LYS A 1 170 ? 42.111 94.238 -37.897 1.00 100.46 ? 171 LYS A N 1 +ATOM 1190 C CA . LYS A 1 170 ? 42.525 95.670 -37.912 1.00 101.83 ? 171 LYS A CA 1 +ATOM 1191 C C . LYS A 1 170 ? 41.468 96.456 -37.122 1.00 102.04 ? 171 LYS A C 1 +ATOM 1192 O O . LYS A 1 170 ? 40.273 96.068 -37.209 1.00 100.41 ? 171 LYS A O 1 +ATOM 1193 C CB . LYS A 1 170 ? 42.720 96.186 -39.347 1.00 99.73 ? 171 LYS A CB 1 +ATOM 1194 N N . SER A 1 171 ? 41.899 97.475 -36.357 1.00 103.02 ? 172 SER A N 1 +ATOM 1195 C CA . SER A 1 171 ? 41.044 98.436 -35.601 1.00 99.32 ? 172 SER A CA 1 +ATOM 1196 C C . SER A 1 171 ? 41.562 99.877 -35.759 1.00 102.15 ? 172 SER A C 1 +ATOM 1197 O O . SER A 1 171 ? 42.563 100.080 -36.478 1.00 105.39 ? 172 SER A O 1 +ATOM 1198 C CB . SER A 1 171 ? 40.965 98.056 -34.147 1.00 96.00 ? 172 SER A CB 1 +ATOM 1199 O OG . SER A 1 171 ? 42.242 98.146 -33.539 1.00 95.10 ? 172 SER A OG 1 +ATOM 1200 N N . ALA A 1 172 ? 40.908 100.840 -35.094 1.00 104.32 ? 173 ALA A N 1 +ATOM 1201 C CA . ALA A 1 172 ? 41.185 102.299 -35.179 1.00 105.73 ? 173 ALA A CA 1 +ATOM 1202 C C . ALA A 1 172 ? 40.598 103.027 -33.963 1.00 103.82 ? 173 ALA A C 1 +ATOM 1203 O O . ALA A 1 172 ? 39.586 102.550 -33.416 1.00 102.39 ? 173 ALA A O 1 +ATOM 1204 C CB . ALA A 1 172 ? 40.611 102.867 -36.461 1.00 105.16 ? 173 ALA A CB 1 +ATOM 1205 N N . ASP A 1 173 ? 41.208 104.149 -33.567 1.00 104.53 ? 174 ASP A N 1 +ATOM 1206 C CA . ASP A 1 173 ? 40.547 105.183 -32.731 1.00 102.16 ? 174 ASP A CA 1 +ATOM 1207 C C . ASP A 1 173 ? 39.310 105.616 -33.502 1.00 98.96 ? 174 ASP A C 1 +ATOM 1208 O O . ASP A 1 173 ? 39.421 105.655 -34.742 1.00 99.50 ? 174 ASP A O 1 +ATOM 1209 C CB . ASP A 1 173 ? 41.399 106.435 -32.514 1.00 106.67 ? 174 ASP A CB 1 +ATOM 1210 C CG . ASP A 1 173 ? 42.539 106.296 -31.517 1.00 112.77 ? 174 ASP A CG 1 +ATOM 1211 O OD1 . ASP A 1 173 ? 42.596 105.255 -30.800 1.00 110.21 ? 174 ASP A OD1 1 +ATOM 1212 O OD2 . ASP A 1 173 ? 43.371 107.242 -31.470 1.00 118.18 ? 174 ASP A OD2 1 +ATOM 1213 N N . PHE A 1 174 ? 38.213 105.921 -32.796 1.00 95.21 ? 175 PHE A N 1 +ATOM 1214 C CA . PHE A 1 174 ? 36.920 106.389 -33.364 1.00 90.50 ? 175 PHE A CA 1 +ATOM 1215 C C . PHE A 1 174 ? 36.081 107.026 -32.256 1.00 89.15 ? 175 PHE A C 1 +ATOM 1216 O O . PHE A 1 174 ? 35.294 106.307 -31.617 1.00 92.60 ? 175 PHE A O 1 +ATOM 1217 C CB . PHE A 1 174 ? 36.168 105.226 -34.010 1.00 88.42 ? 175 PHE A CB 1 +ATOM 1218 C CG . PHE A 1 174 ? 34.979 105.623 -34.842 1.00 86.19 ? 175 PHE A CG 1 +ATOM 1219 C CD1 . PHE A 1 174 ? 35.109 106.537 -35.871 1.00 89.05 ? 175 PHE A CD1 1 +ATOM 1220 C CD2 . PHE A 1 174 ? 33.739 105.059 -34.623 1.00 84.85 ? 175 PHE A CD2 1 +ATOM 1221 C CE1 . PHE A 1 174 ? 34.018 106.892 -36.649 1.00 88.22 ? 175 PHE A CE1 1 +ATOM 1222 C CE2 . PHE A 1 174 ? 32.651 105.413 -35.404 1.00 85.02 ? 175 PHE A CE2 1 +ATOM 1223 C CZ . PHE A 1 174 ? 32.792 106.329 -36.414 1.00 85.48 ? 175 PHE A CZ 1 +ATOM 1224 N N . THR A 1 175 ? 36.233 108.339 -32.067 1.00 88.21 ? 176 THR A N 1 +ATOM 1225 C CA . THR A 1 175 ? 35.643 109.124 -30.950 1.00 85.55 ? 176 THR A CA 1 +ATOM 1226 C C . THR A 1 175 ? 34.557 110.093 -31.463 1.00 83.54 ? 176 THR A C 1 +ATOM 1227 O O . THR A 1 175 ? 34.386 110.255 -32.705 1.00 79.59 ? 176 THR A O 1 +ATOM 1228 C CB . THR A 1 175 ? 36.756 109.820 -30.154 1.00 86.71 ? 176 THR A CB 1 +ATOM 1229 O OG1 . THR A 1 175 ? 37.368 110.805 -30.990 1.00 88.18 ? 176 THR A OG1 1 +ATOM 1230 C CG2 . THR A 1 175 ? 37.796 108.843 -29.645 1.00 85.83 ? 176 THR A CG2 1 +ATOM 1231 N N . ASN A 1 176 ? 33.821 110.667 -30.505 1.00 82.75 ? 177 ASN A N 1 +ATOM 1232 C CA . ASN A 1 176 ? 32.698 111.623 -30.682 1.00 83.88 ? 177 ASN A CA 1 +ATOM 1233 C C . ASN A 1 176 ? 31.805 111.211 -31.853 1.00 83.21 ? 177 ASN A C 1 +ATOM 1234 O O . ASN A 1 176 ? 31.271 112.097 -32.531 1.00 87.17 ? 177 ASN A O 1 +ATOM 1235 C CB . ASN A 1 176 ? 33.215 113.051 -30.821 1.00 88.31 ? 177 ASN A CB 1 +ATOM 1236 C CG . ASN A 1 176 ? 34.065 113.457 -29.638 1.00 94.35 ? 177 ASN A CG 1 +ATOM 1237 O OD1 . ASN A 1 176 ? 35.144 114.026 -29.805 1.00 99.96 ? 177 ASN A OD1 1 +ATOM 1238 N ND2 . ASN A 1 176 ? 33.594 113.149 -28.437 1.00 98.82 ? 177 ASN A ND2 1 +ATOM 1239 N N . PHE A 1 177 ? 31.582 109.915 -32.047 1.00 82.91 ? 178 PHE A N 1 +ATOM 1240 C CA . PHE A 1 177 ? 30.475 109.428 -32.904 1.00 81.28 ? 178 PHE A CA 1 +ATOM 1241 C C . PHE A 1 177 ? 29.173 109.545 -32.113 1.00 79.43 ? 178 PHE A C 1 +ATOM 1242 O O . PHE A 1 177 ? 29.145 109.047 -30.951 1.00 79.65 ? 178 PHE A O 1 +ATOM 1243 C CB . PHE A 1 177 ? 30.665 107.981 -33.357 1.00 81.58 ? 178 PHE A CB 1 +ATOM 1244 C CG . PHE A 1 177 ? 29.578 107.559 -34.308 1.00 83.00 ? 178 PHE A CG 1 +ATOM 1245 C CD1 . PHE A 1 177 ? 29.535 108.080 -35.593 1.00 83.22 ? 178 PHE A CD1 1 +ATOM 1246 C CD2 . PHE A 1 177 ? 28.555 106.717 -33.895 1.00 81.94 ? 178 PHE A CD2 1 +ATOM 1247 C CE1 . PHE A 1 177 ? 28.518 107.726 -36.460 1.00 83.90 ? 178 PHE A CE1 1 +ATOM 1248 C CE2 . PHE A 1 177 ? 27.537 106.367 -34.766 1.00 81.09 ? 178 PHE A CE2 1 +ATOM 1249 C CZ . PHE A 1 177 ? 27.520 106.874 -36.043 1.00 82.91 ? 178 PHE A CZ 1 +ATOM 1250 N N . ASP A 1 178 ? 28.158 110.183 -32.718 1.00 76.49 ? 179 ASP A N 1 +ATOM 1251 C CA . ASP A 1 178 ? 26.809 110.388 -32.128 1.00 73.34 ? 179 ASP A CA 1 +ATOM 1252 C C . ASP A 1 178 ? 25.845 109.347 -32.678 1.00 71.46 ? 179 ASP A C 1 +ATOM 1253 O O . ASP A 1 178 ? 25.329 109.502 -33.782 1.00 72.19 ? 179 ASP A O 1 +ATOM 1254 C CB . ASP A 1 178 ? 26.255 111.775 -32.422 1.00 75.30 ? 179 ASP A CB 1 +ATOM 1255 C CG . ASP A 1 178 ? 25.060 112.122 -31.555 1.00 77.16 ? 179 ASP A CG 1 +ATOM 1256 O OD1 . ASP A 1 178 ? 24.455 111.175 -30.988 1.00 75.85 ? 179 ASP A OD1 1 +ATOM 1257 O OD2 . ASP A 1 178 ? 24.751 113.344 -31.442 1.00 81.34 ? 179 ASP A OD2 1 +ATOM 1258 N N . PRO A 1 179 ? 25.547 108.264 -31.926 1.00 69.57 ? 180 PRO A N 1 +ATOM 1259 C CA . PRO A 1 179 ? 24.635 107.234 -32.417 1.00 68.36 ? 180 PRO A CA 1 +ATOM 1260 C C . PRO A 1 179 ? 23.208 107.718 -32.740 1.00 68.05 ? 180 PRO A C 1 +ATOM 1261 O O . PRO A 1 179 ? 22.529 107.024 -33.462 1.00 69.05 ? 180 PRO A O 1 +ATOM 1262 C CB . PRO A 1 179 ? 24.625 106.197 -31.279 1.00 66.75 ? 180 PRO A CB 1 +ATOM 1263 C CG . PRO A 1 179 ? 25.101 106.942 -30.061 1.00 65.38 ? 180 PRO A CG 1 +ATOM 1264 C CD . PRO A 1 179 ? 26.089 107.951 -30.594 1.00 66.86 ? 180 PRO A CD 1 +ATOM 1265 N N . ARG A 1 180 ? 22.773 108.874 -32.234 1.00 66.78 ? 181 ARG A N 1 +ATOM 1266 C CA . ARG A 1 180 ? 21.396 109.375 -32.504 1.00 67.28 ? 181 ARG A CA 1 +ATOM 1267 C C . ARG A 1 180 ? 21.235 109.733 -33.983 1.00 67.56 ? 181 ARG A C 1 +ATOM 1268 O O . ARG A 1 180 ? 20.104 109.967 -34.382 1.00 66.64 ? 181 ARG A O 1 +ATOM 1269 C CB . ARG A 1 180 ? 21.057 110.628 -31.696 1.00 66.10 ? 181 ARG A CB 1 +ATOM 1270 C CG . ARG A 1 180 ? 21.108 110.433 -30.196 1.00 63.26 ? 181 ARG A CG 1 +ATOM 1271 C CD . ARG A 1 180 ? 20.979 111.794 -29.563 1.00 64.49 ? 181 ARG A CD 1 +ATOM 1272 N NE . ARG A 1 180 ? 22.235 112.527 -29.606 1.00 64.72 ? 181 ARG A NE 1 +ATOM 1273 C CZ . ARG A 1 180 ? 22.518 113.592 -28.859 1.00 66.00 ? 181 ARG A CZ 1 +ATOM 1274 N NH1 . ARG A 1 180 ? 21.632 114.081 -27.997 1.00 67.78 ? 181 ARG A NH1 1 +ATOM 1275 N NH2 . ARG A 1 180 ? 23.694 114.175 -28.984 1.00 66.22 ? 181 ARG A NH2 1 +ATOM 1276 N N . GLY A 1 181 ? 22.330 109.804 -34.748 1.00 71.12 ? 182 GLY A N 1 +ATOM 1277 C CA . GLY A 1 181 ? 22.316 110.051 -36.203 1.00 72.73 ? 182 GLY A CA 1 +ATOM 1278 C C . GLY A 1 181 ? 21.772 108.851 -36.956 1.00 73.94 ? 182 GLY A C 1 +ATOM 1279 O O . GLY A 1 181 ? 21.452 108.985 -38.143 1.00 76.06 ? 182 GLY A O 1 +ATOM 1280 N N . LEU A 1 182 ? 21.651 107.714 -36.272 1.00 74.17 ? 183 LEU A N 1 +ATOM 1281 C CA . LEU A 1 182 ? 21.263 106.399 -36.847 1.00 74.04 ? 183 LEU A CA 1 +ATOM 1282 C C . LEU A 1 182 ? 19.776 106.094 -36.595 1.00 71.31 ? 183 LEU A C 1 +ATOM 1283 O O . LEU A 1 182 ? 19.289 105.069 -37.114 1.00 72.44 ? 183 LEU A O 1 +ATOM 1284 C CB . LEU A 1 182 ? 22.177 105.351 -36.207 1.00 75.29 ? 183 LEU A CB 1 +ATOM 1285 C CG . LEU A 1 182 ? 23.670 105.548 -36.489 1.00 77.11 ? 183 LEU A CG 1 +ATOM 1286 C CD1 . LEU A 1 182 ? 24.532 104.611 -35.657 1.00 74.31 ? 183 LEU A CD1 1 +ATOM 1287 C CD2 . LEU A 1 182 ? 23.958 105.362 -37.976 1.00 80.44 ? 183 LEU A CD2 1 +ATOM 1288 N N . LEU A 1 183 ? 19.075 106.963 -35.864 1.00 69.49 ? 184 LEU A N 1 +ATOM 1289 C CA . LEU A 1 183 ? 17.653 106.768 -35.479 1.00 69.44 ? 184 LEU A CA 1 +ATOM 1290 C C . LEU A 1 183 ? 16.783 107.250 -36.625 1.00 72.27 ? 184 LEU A C 1 +ATOM 1291 O O . LEU A 1 183 ? 17.225 108.072 -37.418 1.00 76.64 ? 184 LEU A O 1 +ATOM 1292 C CB . LEU A 1 183 ? 17.350 107.536 -34.184 1.00 67.00 ? 184 LEU A CB 1 +ATOM 1293 C CG . LEU A 1 183 ? 18.134 107.067 -32.958 1.00 64.56 ? 184 LEU A CG 1 +ATOM 1294 C CD1 . LEU A 1 183 ? 17.632 107.732 -31.683 1.00 64.17 ? 184 LEU A CD1 1 +ATOM 1295 C CD2 . LEU A 1 183 ? 18.081 105.553 -32.837 1.00 62.19 ? 184 LEU A CD2 1 +ATOM 1296 N N . PRO A 1 184 ? 15.555 106.724 -36.792 1.00 75.26 ? 185 PRO A N 1 +ATOM 1297 C CA . PRO A 1 184 ? 14.613 107.297 -37.738 1.00 77.82 ? 185 PRO A CA 1 +ATOM 1298 C C . PRO A 1 184 ? 13.746 108.292 -36.960 1.00 78.27 ? 185 PRO A C 1 +ATOM 1299 O O . PRO A 1 184 ? 13.870 108.372 -35.749 1.00 79.23 ? 185 PRO A O 1 +ATOM 1300 C CB . PRO A 1 184 ? 13.852 106.072 -38.276 1.00 78.77 ? 185 PRO A CB 1 +ATOM 1301 C CG . PRO A 1 184 ? 14.267 104.907 -37.366 1.00 79.09 ? 185 PRO A CG 1 +ATOM 1302 C CD . PRO A 1 184 ? 15.006 105.507 -36.181 1.00 76.00 ? 185 PRO A CD 1 +ATOM 1303 N N . GLU A 1 185 ? 12.876 108.998 -37.675 1.00 80.89 ? 186 GLU A N 1 +ATOM 1304 C CA . GLU A 1 185 ? 12.002 110.053 -37.103 1.00 83.08 ? 186 GLU A CA 1 +ATOM 1305 C C . GLU A 1 185 ? 10.840 109.403 -36.325 1.00 82.34 ? 186 GLU A C 1 +ATOM 1306 O O . GLU A 1 185 ? 10.203 110.143 -35.557 1.00 88.58 ? 186 GLU A O 1 +ATOM 1307 C CB . GLU A 1 185 ? 11.551 111.017 -38.211 1.00 84.75 ? 186 GLU A CB 1 +ATOM 1308 C CG . GLU A 1 185 ? 12.655 111.950 -38.697 1.00 83.24 ? 186 GLU A CG 1 +ATOM 1309 N N . SER A 1 186 ? 10.571 108.097 -36.503 1.00 79.14 ? 187 SER A N 1 +ATOM 1310 C CA . SER A 1 186 ? 9.526 107.317 -35.775 1.00 78.04 ? 187 SER A CA 1 +ATOM 1311 C C . SER A 1 186 ? 10.163 106.138 -35.028 1.00 78.82 ? 187 SER A C 1 +ATOM 1312 O O . SER A 1 186 ? 10.679 105.199 -35.710 1.00 78.38 ? 187 SER A O 1 +ATOM 1313 C CB . SER A 1 186 ? 8.442 106.805 -36.703 1.00 78.47 ? 187 SER A CB 1 +ATOM 1314 O OG . SER A 1 186 ? 7.500 105.983 -36.014 1.00 76.23 ? 187 SER A OG 1 +ATOM 1315 N N . LEU A 1 187 ? 10.059 106.140 -33.691 1.00 77.06 ? 188 LEU A N 1 +ATOM 1316 C CA . LEU A 1 187 ? 10.571 105.046 -32.824 1.00 76.01 ? 188 LEU A CA 1 +ATOM 1317 C C . LEU A 1 187 ? 9.425 104.083 -32.490 1.00 74.21 ? 188 LEU A C 1 +ATOM 1318 O O . LEU A 1 187 ? 9.328 103.669 -31.325 1.00 72.99 ? 188 LEU A O 1 +ATOM 1319 C CB . LEU A 1 187 ? 11.176 105.636 -31.544 1.00 78.95 ? 188 LEU A CB 1 +ATOM 1320 C CG . LEU A 1 187 ? 12.425 106.515 -31.674 1.00 81.67 ? 188 LEU A CG 1 +ATOM 1321 C CD1 . LEU A 1 187 ? 12.781 107.120 -30.322 1.00 81.32 ? 188 LEU A CD1 1 +ATOM 1322 C CD2 . LEU A 1 187 ? 13.631 105.771 -32.254 1.00 84.31 ? 188 LEU A CD2 1 +ATOM 1323 N N . ASP A 1 188 ? 8.558 103.779 -33.458 1.00 75.31 ? 189 ASP A N 1 +ATOM 1324 C CA . ASP A 1 188 ? 7.495 102.750 -33.315 1.00 75.64 ? 189 ASP A CA 1 +ATOM 1325 C C . ASP A 1 188 ? 8.197 101.426 -33.532 1.00 71.18 ? 189 ASP A C 1 +ATOM 1326 O O . ASP A 1 188 ? 9.091 101.398 -34.402 1.00 73.00 ? 189 ASP A O 1 +ATOM 1327 C CB . ASP A 1 188 ? 6.355 102.894 -34.330 1.00 82.07 ? 189 ASP A CB 1 +ATOM 1328 C CG . ASP A 1 188 ? 5.341 103.983 -34.011 1.00 84.86 ? 189 ASP A CG 1 +ATOM 1329 O OD1 . ASP A 1 188 ? 5.109 104.239 -32.807 1.00 84.92 ? 189 ASP A OD1 1 +ATOM 1330 O OD2 . ASP A 1 188 ? 4.792 104.567 -34.972 1.00 89.20 ? 189 ASP A OD2 1 +ATOM 1331 N N . TYR A 1 189 ? 7.821 100.397 -32.779 1.00 66.47 ? 190 TYR A N 1 +ATOM 1332 C CA . TYR A 1 189 ? 8.656 99.186 -32.648 1.00 63.39 ? 190 TYR A CA 1 +ATOM 1333 C C . TYR A 1 189 ? 7.780 97.971 -32.374 1.00 61.73 ? 190 TYR A C 1 +ATOM 1334 O O . TYR A 1 189 ? 6.748 98.138 -31.739 1.00 63.13 ? 190 TYR A O 1 +ATOM 1335 C CB . TYR A 1 189 ? 9.716 99.429 -31.569 1.00 63.28 ? 190 TYR A CB 1 +ATOM 1336 C CG . TYR A 1 189 ? 9.238 99.418 -30.141 1.00 62.64 ? 190 TYR A CG 1 +ATOM 1337 C CD1 . TYR A 1 189 ? 9.079 98.233 -29.456 1.00 65.77 ? 190 TYR A CD1 1 +ATOM 1338 C CD2 . TYR A 1 189 ? 8.994 100.587 -29.455 1.00 63.78 ? 190 TYR A CD2 1 +ATOM 1339 C CE1 . TYR A 1 189 ? 8.675 98.212 -28.131 1.00 67.23 ? 190 TYR A CE1 1 +ATOM 1340 C CE2 . TYR A 1 189 ? 8.579 100.590 -28.134 1.00 65.17 ? 190 TYR A CE2 1 +ATOM 1341 C CZ . TYR A 1 189 ? 8.426 99.395 -27.468 1.00 66.51 ? 190 TYR A CZ 1 +ATOM 1342 O OH . TYR A 1 189 ? 8.014 99.364 -26.173 1.00 69.38 ? 190 TYR A OH 1 +ATOM 1343 N N . TRP A 1 190 ? 8.178 96.822 -32.925 1.00 61.50 ? 191 TRP A N 1 +ATOM 1344 C CA . TRP A 1 190 ? 7.809 95.461 -32.462 1.00 62.58 ? 191 TRP A CA 1 +ATOM 1345 C C . TRP A 1 190 ? 8.841 95.013 -31.426 1.00 61.53 ? 191 TRP A C 1 +ATOM 1346 O O . TRP A 1 190 ? 9.967 95.493 -31.519 1.00 64.46 ? 191 TRP A O 1 +ATOM 1347 C CB . TRP A 1 190 ? 7.810 94.493 -33.639 1.00 64.43 ? 191 TRP A CB 1 +ATOM 1348 C CG . TRP A 1 190 ? 6.941 94.892 -34.787 1.00 66.47 ? 191 TRP A CG 1 +ATOM 1349 C CD1 . TRP A 1 190 ? 5.581 94.808 -34.851 1.00 68.44 ? 191 TRP A CD1 1 +ATOM 1350 C CD2 . TRP A 1 190 ? 7.376 95.382 -36.066 1.00 66.14 ? 191 TRP A CD2 1 +ATOM 1351 N NE1 . TRP A 1 190 ? 5.142 95.246 -36.075 1.00 69.61 ? 191 TRP A NE1 1 +ATOM 1352 C CE2 . TRP A 1 190 ? 6.218 95.593 -36.844 1.00 67.41 ? 191 TRP A CE2 1 +ATOM 1353 C CE3 . TRP A 1 190 ? 8.620 95.656 -36.635 1.00 66.23 ? 191 TRP A CE3 1 +ATOM 1354 C CZ2 . TRP A 1 190 ? 6.269 96.076 -38.148 1.00 67.57 ? 191 TRP A CZ2 1 +ATOM 1355 C CZ3 . TRP A 1 190 ? 8.669 96.133 -37.930 1.00 67.76 ? 191 TRP A CZ3 1 +ATOM 1356 C CH2 . TRP A 1 190 ? 7.510 96.351 -38.673 1.00 66.76 ? 191 TRP A CH2 1 +ATOM 1357 N N . THR A 1 191 ? 8.497 94.121 -30.498 1.00 60.28 ? 192 THR A N 1 +ATOM 1358 C CA . THR A 1 191 ? 9.442 93.580 -29.484 1.00 59.09 ? 192 THR A CA 1 +ATOM 1359 C C . THR A 1 191 ? 9.095 92.126 -29.169 1.00 58.23 ? 192 THR A C 1 +ATOM 1360 O O . THR A 1 191 ? 7.903 91.819 -29.049 1.00 59.44 ? 192 THR A O 1 +ATOM 1361 C CB . THR A 1 191 ? 9.432 94.374 -28.176 1.00 59.95 ? 192 THR A CB 1 +ATOM 1362 O OG1 . THR A 1 191 ? 10.169 93.646 -27.185 1.00 63.57 ? 192 THR A OG1 1 +ATOM 1363 C CG2 . THR A 1 191 ? 8.034 94.602 -27.655 1.00 60.77 ? 192 THR A CG2 1 +ATOM 1364 N N . TYR A 1 192 ? 10.115 91.280 -29.032 1.00 56.81 ? 193 TYR A N 1 +ATOM 1365 C CA . TYR A 1 192 ? 9.973 89.842 -28.710 1.00 57.29 ? 193 TYR A CA 1 +ATOM 1366 C C . TYR A 1 192 ? 11.200 89.356 -27.968 1.00 55.47 ? 193 TYR A C 1 +ATOM 1367 O O . TYR A 1 192 ? 12.274 89.907 -28.095 1.00 54.81 ? 193 TYR A O 1 +ATOM 1368 C CB . TYR A 1 192 ? 9.786 89.005 -29.972 1.00 58.51 ? 193 TYR A CB 1 +ATOM 1369 C CG . TYR A 1 192 ? 11.038 88.755 -30.763 1.00 56.70 ? 193 TYR A CG 1 +ATOM 1370 C CD1 . TYR A 1 192 ? 11.537 89.719 -31.608 1.00 56.04 ? 193 TYR A CD1 1 +ATOM 1371 C CD2 . TYR A 1 192 ? 11.690 87.539 -30.708 1.00 56.55 ? 193 TYR A CD2 1 +ATOM 1372 C CE1 . TYR A 1 192 ? 12.664 89.488 -32.373 1.00 56.18 ? 193 TYR A CE1 1 +ATOM 1373 C CE2 . TYR A 1 192 ? 12.836 87.302 -31.448 1.00 56.50 ? 193 TYR A CE2 1 +ATOM 1374 C CZ . TYR A 1 192 ? 13.316 88.280 -32.295 1.00 56.51 ? 193 TYR A CZ 1 +ATOM 1375 O OH . TYR A 1 192 ? 14.435 88.083 -33.045 1.00 58.43 ? 193 TYR A OH 1 +ATOM 1376 N N . PRO A 1 193 ? 11.074 88.303 -27.156 1.00 57.35 ? 194 PRO A N 1 +ATOM 1377 C CA . PRO A 1 193 ? 12.235 87.743 -26.470 1.00 56.60 ? 194 PRO A CA 1 +ATOM 1378 C C . PRO A 1 193 ? 13.006 86.834 -27.430 1.00 53.84 ? 194 PRO A C 1 +ATOM 1379 O O . PRO A 1 193 ? 12.389 86.024 -28.036 1.00 53.39 ? 194 PRO A O 1 +ATOM 1380 C CB . PRO A 1 193 ? 11.630 86.940 -25.301 1.00 57.54 ? 194 PRO A CB 1 +ATOM 1381 C CG . PRO A 1 193 ? 10.163 86.676 -25.690 1.00 59.09 ? 194 PRO A CG 1 +ATOM 1382 C CD . PRO A 1 193 ? 9.818 87.600 -26.846 1.00 59.18 ? 194 PRO A CD 1 +ATOM 1383 N N . GLY A 1 194 ? 14.324 86.960 -27.497 1.00 53.26 ? 195 GLY A N 1 +ATOM 1384 C CA . GLY A 1 194 ? 15.136 86.186 -28.451 1.00 54.38 ? 195 GLY A CA 1 +ATOM 1385 C C . GLY A 1 194 ? 16.565 85.993 -27.979 1.00 55.24 ? 195 GLY A C 1 +ATOM 1386 O O . GLY A 1 194 ? 16.798 85.936 -26.712 1.00 59.47 ? 195 GLY A O 1 +ATOM 1387 N N . SER A 1 195 ? 17.475 85.917 -28.961 1.00 55.48 ? 196 SER A N 1 +ATOM 1388 C CA . SER A 1 195 ? 18.907 85.562 -28.803 1.00 58.34 ? 196 SER A CA 1 +ATOM 1389 C C . SER A 1 195 ? 19.819 86.488 -29.614 1.00 58.76 ? 196 SER A C 1 +ATOM 1390 O O . SER A 1 195 ? 19.334 87.215 -30.511 1.00 61.77 ? 196 SER A O 1 +ATOM 1391 C CB . SER A 1 195 ? 19.127 84.167 -29.276 1.00 61.58 ? 196 SER A CB 1 +ATOM 1392 O OG . SER A 1 195 ? 19.158 84.146 -30.704 1.00 64.24 ? 196 SER A OG 1 +ATOM 1393 N N . LEU A 1 196 ? 21.119 86.383 -29.352 1.00 57.69 ? 197 LEU A N 1 +ATOM 1394 C CA . LEU A 1 196 ? 22.185 86.794 -30.297 1.00 57.93 ? 197 LEU A CA 1 +ATOM 1395 C C . LEU A 1 196 ? 21.897 86.096 -31.619 1.00 56.90 ? 197 LEU A C 1 +ATOM 1396 O O . LEU A 1 196 ? 21.616 84.895 -31.603 1.00 56.97 ? 197 LEU A O 1 +ATOM 1397 C CB . LEU A 1 196 ? 23.563 86.381 -29.764 1.00 57.87 ? 197 LEU A CB 1 +ATOM 1398 C CG . LEU A 1 196 ? 23.890 86.829 -28.339 1.00 56.87 ? 197 LEU A CG 1 +ATOM 1399 C CD1 . LEU A 1 196 ? 25.341 86.549 -28.023 1.00 58.25 ? 197 LEU A CD1 1 +ATOM 1400 C CD2 . LEU A 1 196 ? 23.591 88.308 -28.135 1.00 57.60 ? 197 LEU A CD2 1 +ATOM 1401 N N . THR A 1 197 ? 21.953 86.820 -32.719 1.00 57.14 ? 198 THR A N 1 +ATOM 1402 C CA . THR A 1 197 ? 21.849 86.206 -34.064 1.00 58.85 ? 198 THR A CA 1 +ATOM 1403 C C . THR A 1 197 ? 23.133 85.435 -34.410 1.00 59.56 ? 198 THR A C 1 +ATOM 1404 O O . THR A 1 197 ? 23.033 84.498 -35.184 1.00 64.90 ? 198 THR A O 1 +ATOM 1405 C CB . THR A 1 197 ? 21.473 87.278 -35.078 1.00 59.21 ? 198 THR A CB 1 +ATOM 1406 O OG1 . THR A 1 197 ? 22.461 88.312 -35.050 1.00 59.35 ? 198 THR A OG1 1 +ATOM 1407 C CG2 . THR A 1 197 ? 20.112 87.864 -34.778 1.00 60.50 ? 198 THR A CG2 1 +ATOM 1408 N N . THR A 1 198 ? 24.284 85.786 -33.846 1.00 59.34 ? 199 THR A N 1 +ATOM 1409 C CA . THR A 1 198 ? 25.580 85.109 -34.097 1.00 61.65 ? 199 THR A CA 1 +ATOM 1410 C C . THR A 1 198 ? 26.031 84.339 -32.869 1.00 62.01 ? 199 THR A C 1 +ATOM 1411 O O . THR A 1 198 ? 25.715 84.754 -31.761 1.00 63.62 ? 199 THR A O 1 +ATOM 1412 C CB . THR A 1 198 ? 26.698 86.112 -34.384 1.00 63.80 ? 199 THR A CB 1 +ATOM 1413 O OG1 . THR A 1 198 ? 26.860 86.948 -33.232 1.00 60.09 ? 199 THR A OG1 1 +ATOM 1414 C CG2 . THR A 1 198 ? 26.425 86.915 -35.635 1.00 64.90 ? 199 THR A CG2 1 +ATOM 1415 N N . PRO A 1 199 ? 26.848 83.267 -33.024 1.00 63.94 ? 200 PRO A N 1 +ATOM 1416 C CA . PRO A 1 199 ? 27.377 82.505 -31.888 1.00 63.13 ? 200 PRO A CA 1 +ATOM 1417 C C . PRO A 1 199 ? 28.011 83.457 -30.892 1.00 61.64 ? 200 PRO A C 1 +ATOM 1418 O O . PRO A 1 199 ? 28.641 84.411 -31.334 1.00 60.86 ? 200 PRO A O 1 +ATOM 1419 C CB . PRO A 1 199 ? 28.495 81.653 -32.482 1.00 63.74 ? 200 PRO A CB 1 +ATOM 1420 C CG . PRO A 1 199 ? 28.095 81.502 -33.937 1.00 65.20 ? 200 PRO A CG 1 +ATOM 1421 C CD . PRO A 1 199 ? 27.385 82.784 -34.302 1.00 64.29 ? 200 PRO A CD 1 +ATOM 1422 N N . PRO A 1 200 ? 27.918 83.242 -29.558 1.00 60.68 ? 201 PRO A N 1 +ATOM 1423 C CA . PRO A 1 200 ? 27.260 82.078 -28.958 1.00 60.00 ? 201 PRO A CA 1 +ATOM 1424 C C . PRO A 1 200 ? 25.727 81.989 -28.848 1.00 59.14 ? 201 PRO A C 1 +ATOM 1425 O O . PRO A 1 200 ? 25.246 81.249 -27.996 1.00 60.06 ? 201 PRO A O 1 +ATOM 1426 C CB . PRO A 1 200 ? 27.825 82.124 -27.528 1.00 61.83 ? 201 PRO A CB 1 +ATOM 1427 C CG . PRO A 1 200 ? 28.053 83.581 -27.255 1.00 61.55 ? 201 PRO A CG 1 +ATOM 1428 C CD . PRO A 1 200 ? 28.613 84.069 -28.560 1.00 61.00 ? 201 PRO A CD 1 +ATOM 1429 N N . LEU A 1 201 ? 24.980 82.688 -29.703 1.00 57.34 ? 202 LEU A N 1 +ATOM 1430 C CA . LEU A 1 201 ? 23.518 82.477 -29.873 1.00 56.17 ? 202 LEU A CA 1 +ATOM 1431 C C . LEU A 1 201 ? 22.774 82.419 -28.527 1.00 56.11 ? 202 LEU A C 1 +ATOM 1432 O O . LEU A 1 201 ? 21.681 81.800 -28.543 1.00 58.22 ? 202 LEU A O 1 +ATOM 1433 C CB . LEU A 1 201 ? 23.310 81.162 -30.630 1.00 57.63 ? 202 LEU A CB 1 +ATOM 1434 C CG . LEU A 1 201 ? 23.867 81.096 -32.056 1.00 59.87 ? 202 LEU A CG 1 +ATOM 1435 C CD1 . LEU A 1 201 ? 23.596 79.739 -32.692 1.00 60.91 ? 202 LEU A CD1 1 +ATOM 1436 C CD2 . LEU A 1 201 ? 23.276 82.185 -32.930 1.00 60.95 ? 202 LEU A CD2 1 +ATOM 1437 N N . LEU A 1 202 ? 23.299 83.035 -27.441 1.00 53.50 ? 203 LEU A N 1 +ATOM 1438 C CA . LEU A 1 202 ? 22.701 83.059 -26.066 1.00 51.63 ? 203 LEU A CA 1 +ATOM 1439 C C . LEU A 1 202 ? 21.327 83.727 -26.102 1.00 51.40 ? 203 LEU A C 1 +ATOM 1440 O O . LEU A 1 202 ? 21.150 84.763 -26.721 1.00 48.68 ? 203 LEU A O 1 +ATOM 1441 C CB . LEU A 1 202 ? 23.582 83.790 -25.043 1.00 49.84 ? 203 LEU A CB 1 +ATOM 1442 C CG . LEU A 1 202 ? 24.928 83.129 -24.756 1.00 50.10 ? 203 LEU A CG 1 +ATOM 1443 C CD1 . LEU A 1 202 ? 25.801 83.982 -23.872 1.00 49.99 ? 203 LEU A CD1 1 +ATOM 1444 C CD2 . LEU A 1 202 ? 24.741 81.785 -24.105 1.00 52.18 ? 203 LEU A CD2 1 +ATOM 1445 N N . GLU A 1 203 ? 20.378 83.095 -25.439 1.00 54.21 ? 204 GLU A N 1 +ATOM 1446 C CA . GLU A 1 203 ? 18.978 83.540 -25.398 1.00 55.85 ? 204 GLU A CA 1 +ATOM 1447 C C . GLU A 1 203 ? 18.902 84.538 -24.248 1.00 56.91 ? 204 GLU A C 1 +ATOM 1448 O O . GLU A 1 203 ? 18.453 84.149 -23.142 1.00 63.17 ? 204 GLU A O 1 +ATOM 1449 C CB . GLU A 1 203 ? 18.079 82.306 -25.250 1.00 57.54 ? 204 GLU A CB 1 +ATOM 1450 C CG . GLU A 1 203 ? 18.451 81.177 -26.180 1.00 58.40 ? 204 GLU A CG 1 +ATOM 1451 C CD . GLU A 1 203 ? 17.314 80.232 -26.508 1.00 61.38 ? 204 GLU A CD 1 +ATOM 1452 O OE1 . GLU A 1 203 ? 16.815 79.588 -25.572 1.00 62.96 ? 204 GLU A OE1 1 +ATOM 1453 O OE2 . GLU A 1 203 ? 16.940 80.136 -27.716 1.00 64.35 ? 204 GLU A OE2 1 +ATOM 1454 N N . CYS A 1 204 ? 19.412 85.748 -24.459 1.00 55.41 ? 205 CYS A N 1 +ATOM 1455 C CA . CYS A 1 204 ? 19.573 86.757 -23.380 1.00 51.80 ? 205 CYS A CA 1 +ATOM 1456 C C . CYS A 1 204 ? 19.128 88.134 -23.812 1.00 49.45 ? 205 CYS A C 1 +ATOM 1457 O O . CYS A 1 204 ? 19.743 89.065 -23.347 1.00 48.17 ? 205 CYS A O 1 +ATOM 1458 C CB . CYS A 1 204 ? 21.024 86.913 -22.971 1.00 52.72 ? 205 CYS A CB 1 +ATOM 1459 S SG . CYS A 1 204 ? 22.161 87.377 -24.294 1.00 53.91 ? 205 CYS A SG 1 +ATOM 1460 N N . VAL A 1 205 ? 18.131 88.236 -24.689 1.00 49.43 ? 206 VAL A N 1 +ATOM 1461 C CA . VAL A 1 205 ? 17.905 89.468 -25.500 1.00 48.72 ? 206 VAL A CA 1 +ATOM 1462 C C . VAL A 1 205 ? 16.417 89.749 -25.547 1.00 49.90 ? 206 VAL A C 1 +ATOM 1463 O O . VAL A 1 205 ? 15.669 88.852 -25.970 1.00 53.51 ? 206 VAL A O 1 +ATOM 1464 C CB . VAL A 1 205 ? 18.485 89.370 -26.927 1.00 47.26 ? 206 VAL A CB 1 +ATOM 1465 C CG1 . VAL A 1 205 ? 17.922 90.454 -27.831 1.00 47.12 ? 206 VAL A CG1 1 +ATOM 1466 C CG2 . VAL A 1 205 ? 20.002 89.417 -26.923 1.00 45.96 ? 206 VAL A CG2 1 +ATOM 1467 N N . THR A 1 206 ? 16.054 90.970 -25.165 1.00 49.20 ? 207 THR A N 1 +ATOM 1468 C CA . THR A 1 206 ? 14.758 91.610 -25.449 1.00 49.11 ? 207 THR A CA 1 +ATOM 1469 C C . THR A 1 206 ? 14.946 92.392 -26.735 1.00 48.36 ? 207 THR A C 1 +ATOM 1470 O O . THR A 1 206 ? 15.671 93.380 -26.674 1.00 49.48 ? 207 THR A O 1 +ATOM 1471 C CB . THR A 1 206 ? 14.386 92.527 -24.293 1.00 50.26 ? 207 THR A CB 1 +ATOM 1472 O OG1 . THR A 1 206 ? 14.390 91.691 -23.129 1.00 52.93 ? 207 THR A OG1 1 +ATOM 1473 C CG2 . THR A 1 206 ? 13.076 93.232 -24.548 1.00 50.87 ? 207 THR A CG2 1 +ATOM 1474 N N . TRP A 1 207 ? 14.449 91.901 -27.863 1.00 47.78 ? 208 TRP A N 1 +ATOM 1475 C CA . TRP A 1 207 ? 14.633 92.607 -29.156 1.00 48.39 ? 208 TRP A CA 1 +ATOM 1476 C C . TRP A 1 207 ? 13.687 93.792 -29.183 1.00 50.78 ? 208 TRP A C 1 +ATOM 1477 O O . TRP A 1 207 ? 12.569 93.700 -28.620 1.00 53.51 ? 208 TRP A O 1 +ATOM 1478 C CB . TRP A 1 207 ? 14.434 91.705 -30.378 1.00 48.57 ? 208 TRP A CB 1 +ATOM 1479 C CG . TRP A 1 207 ? 15.651 90.885 -30.661 1.00 48.01 ? 208 TRP A CG 1 +ATOM 1480 C CD1 . TRP A 1 207 ? 15.937 89.623 -30.229 1.00 48.43 ? 208 TRP A CD1 1 +ATOM 1481 C CD2 . TRP A 1 207 ? 16.810 91.332 -31.355 1.00 47.32 ? 208 TRP A CD2 1 +ATOM 1482 N NE1 . TRP A 1 207 ? 17.182 89.244 -30.643 1.00 47.77 ? 208 TRP A NE1 1 +ATOM 1483 C CE2 . TRP A 1 207 ? 17.736 90.275 -31.336 1.00 48.05 ? 208 TRP A CE2 1 +ATOM 1484 C CE3 . TRP A 1 207 ? 17.126 92.509 -32.032 1.00 49.42 ? 208 TRP A CE3 1 +ATOM 1485 C CZ2 . TRP A 1 207 ? 18.952 90.353 -32.006 1.00 51.35 ? 208 TRP A CZ2 1 +ATOM 1486 C CZ3 . TRP A 1 207 ? 18.346 92.609 -32.665 1.00 50.84 ? 208 TRP A CZ3 1 +ATOM 1487 C CH2 . TRP A 1 207 ? 19.253 91.544 -32.641 1.00 51.89 ? 208 TRP A CH2 1 +ATOM 1488 N N . ILE A 1 208 ? 14.149 94.879 -29.787 1.00 51.65 ? 209 ILE A N 1 +ATOM 1489 C CA . ILE A 1 208 ? 13.313 96.065 -30.099 1.00 51.75 ? 209 ILE A CA 1 +ATOM 1490 C C . ILE A 1 208 ? 13.540 96.401 -31.577 1.00 52.38 ? 209 ILE A C 1 +ATOM 1491 O O . ILE A 1 208 ? 14.547 97.039 -31.917 1.00 51.27 ? 209 ILE A O 1 +ATOM 1492 C CB . ILE A 1 208 ? 13.659 97.156 -29.073 1.00 49.94 ? 209 ILE A CB 1 +ATOM 1493 C CG1 . ILE A 1 208 ? 13.107 96.750 -27.710 1.00 50.93 ? 209 ILE A CG1 1 +ATOM 1494 C CG2 . ILE A 1 208 ? 13.113 98.495 -29.500 1.00 51.61 ? 209 ILE A CG2 1 +ATOM 1495 C CD1 . ILE A 1 208 ? 13.554 97.633 -26.559 1.00 51.96 ? 209 ILE A CD1 1 +ATOM 1496 N N . VAL A 1 209 ? 12.711 95.856 -32.457 1.00 55.52 ? 210 VAL A N 1 +ATOM 1497 C CA . VAL A 1 209 ? 12.810 96.134 -33.927 1.00 57.39 ? 210 VAL A CA 1 +ATOM 1498 C C . VAL A 1 209 ? 11.879 97.292 -34.286 1.00 58.78 ? 210 VAL A C 1 +ATOM 1499 O O . VAL A 1 209 ? 10.669 97.143 -34.020 1.00 61.49 ? 210 VAL A O 1 +ATOM 1500 C CB . VAL A 1 209 ? 12.449 94.893 -34.743 1.00 58.60 ? 210 VAL A CB 1 +ATOM 1501 C CG1 . VAL A 1 209 ? 12.637 95.160 -36.216 1.00 61.06 ? 210 VAL A CG1 1 +ATOM 1502 C CG2 . VAL A 1 209 ? 13.244 93.670 -34.297 1.00 58.92 ? 210 VAL A CG2 1 +ATOM 1503 N N . LEU A 1 210 ? 12.421 98.361 -34.896 1.00 59.96 ? 211 LEU A N 1 +ATOM 1504 C CA . LEU A 1 210 ? 11.706 99.607 -35.327 1.00 60.93 ? 211 LEU A CA 1 +ATOM 1505 C C . LEU A 1 210 ? 11.063 99.432 -36.722 1.00 64.83 ? 211 LEU A C 1 +ATOM 1506 O O . LEU A 1 210 ? 11.820 98.940 -37.644 1.00 63.40 ? 211 LEU A O 1 +ATOM 1507 C CB . LEU A 1 210 ? 12.716 100.760 -35.396 1.00 59.55 ? 211 LEU A CB 1 +ATOM 1508 C CG . LEU A 1 210 ? 13.395 101.213 -34.101 1.00 58.35 ? 211 LEU A CG 1 +ATOM 1509 C CD1 . LEU A 1 210 ? 14.007 102.586 -34.295 1.00 58.95 ? 211 LEU A CD1 1 +ATOM 1510 C CD2 . LEU A 1 210 ? 12.440 101.261 -32.919 1.00 58.53 ? 211 LEU A CD2 1 +ATOM 1511 N N . LYS A 1 211 ? 9.788 99.886 -36.885 1.00 66.29 ? 212 LYS A N 1 +ATOM 1512 C CA . LYS A 1 211 ? 8.954 99.790 -38.132 1.00 69.25 ? 212 LYS A CA 1 +ATOM 1513 C C . LYS A 1 211 ? 9.618 100.586 -39.237 1.00 71.81 ? 212 LYS A C 1 +ATOM 1514 O O . LYS A 1 211 ? 9.682 100.074 -40.361 1.00 75.25 ? 212 LYS A O 1 +ATOM 1515 C CB . LYS A 1 211 ? 7.543 100.382 -38.029 1.00 67.45 ? 212 LYS A CB 1 +ATOM 1516 N N . GLU A 1 212 ? 10.075 101.790 -38.895 1.00 76.57 ? 213 GLU A N 1 +ATOM 1517 C CA . GLU A 1 212 ? 10.633 102.789 -39.847 1.00 81.66 ? 213 GLU A CA 1 +ATOM 1518 C C . GLU A 1 212 ? 12.110 102.486 -40.087 1.00 78.09 ? 213 GLU A C 1 +ATOM 1519 O O . GLU A 1 212 ? 12.897 102.379 -39.144 1.00 76.28 ? 213 GLU A O 1 +ATOM 1520 C CB . GLU A 1 212 ? 10.437 104.212 -39.323 1.00 86.83 ? 213 GLU A CB 1 +ATOM 1521 C CG . GLU A 1 212 ? 10.279 105.226 -40.437 1.00 94.07 ? 213 GLU A CG 1 +ATOM 1522 C CD . GLU A 1 212 ? 10.675 106.642 -40.062 1.00 99.65 ? 213 GLU A CD 1 +ATOM 1523 O OE1 . GLU A 1 212 ? 9.961 107.256 -39.241 1.00 102.49 ? 213 GLU A OE1 1 +ATOM 1524 O OE2 . GLU A 1 212 ? 11.709 107.121 -40.589 1.00 107.46 ? 213 GLU A OE2 1 +ATOM 1525 N N . PRO A 1 213 ? 12.517 102.254 -41.353 1.00 75.24 ? 214 PRO A N 1 +ATOM 1526 C CA . PRO A 1 213 ? 13.930 102.092 -41.685 1.00 75.27 ? 214 PRO A CA 1 +ATOM 1527 C C . PRO A 1 213 ? 14.593 103.472 -41.710 1.00 75.77 ? 214 PRO A C 1 +ATOM 1528 O O . PRO A 1 213 ? 13.871 104.447 -41.687 1.00 79.81 ? 214 PRO A O 1 +ATOM 1529 C CB . PRO A 1 213 ? 13.932 101.419 -43.067 1.00 77.41 ? 214 PRO A CB 1 +ATOM 1530 C CG . PRO A 1 213 ? 12.483 100.997 -43.284 1.00 77.89 ? 214 PRO A CG 1 +ATOM 1531 C CD . PRO A 1 213 ? 11.648 101.993 -42.503 1.00 76.78 ? 214 PRO A CD 1 +ATOM 1532 N N . ILE A 1 214 ? 15.925 103.528 -41.714 1.00 73.63 ? 215 ILE A N 1 +ATOM 1533 C CA . ILE A 1 214 ? 16.652 104.768 -42.116 1.00 74.89 ? 215 ILE A CA 1 +ATOM 1534 C C . ILE A 1 214 ? 16.977 104.614 -43.605 1.00 79.47 ? 215 ILE A C 1 +ATOM 1535 O O . ILE A 1 214 ? 16.737 103.494 -44.138 1.00 78.30 ? 215 ILE A O 1 +ATOM 1536 C CB . ILE A 1 214 ? 17.902 105.031 -41.247 1.00 70.07 ? 215 ILE A CB 1 +ATOM 1537 C CG1 . ILE A 1 214 ? 18.769 103.785 -41.090 1.00 66.57 ? 215 ILE A CG1 1 +ATOM 1538 C CG2 . ILE A 1 214 ? 17.511 105.619 -39.895 1.00 69.62 ? 215 ILE A CG2 1 +ATOM 1539 C CD1 . ILE A 1 214 ? 20.177 104.090 -40.670 1.00 65.74 ? 215 ILE A CD1 1 +ATOM 1540 N N . SER A 1 215 ? 17.490 105.674 -44.236 1.00 84.03 ? 216 SER A N 1 +ATOM 1541 C CA . SER A 1 215 ? 18.045 105.655 -45.619 1.00 91.74 ? 216 SER A CA 1 +ATOM 1542 C C . SER A 1 215 ? 19.575 105.465 -45.568 1.00 94.61 ? 216 SER A C 1 +ATOM 1543 O O . SER A 1 215 ? 20.186 105.844 -44.552 1.00 96.64 ? 216 SER A O 1 +ATOM 1544 C CB . SER A 1 215 ? 17.653 106.906 -46.381 1.00 90.83 ? 216 SER A CB 1 +ATOM 1545 N N . VAL A 1 216 ? 20.167 104.866 -46.609 1.00 97.09 ? 217 VAL A N 1 +ATOM 1546 C CA . VAL A 1 216 ? 21.618 105.006 -46.951 1.00 96.58 ? 217 VAL A CA 1 +ATOM 1547 C C . VAL A 1 216 ? 21.744 105.092 -48.488 1.00 99.26 ? 217 VAL A C 1 +ATOM 1548 O O . VAL A 1 216 ? 20.979 104.407 -49.226 1.00 97.11 ? 217 VAL A O 1 +ATOM 1549 C CB . VAL A 1 216 ? 22.490 103.883 -46.343 1.00 89.67 ? 217 VAL A CB 1 +ATOM 1550 N N . SER A 1 217 ? 22.669 105.924 -48.965 1.00 98.41 ? 218 SER A N 1 +ATOM 1551 C CA . SER A 1 217 ? 22.985 106.083 -50.405 1.00 99.30 ? 218 SER A CA 1 +ATOM 1552 C C . SER A 1 217 ? 23.666 104.814 -50.942 1.00 101.82 ? 218 SER A C 1 +ATOM 1553 O O . SER A 1 217 ? 24.315 104.096 -50.163 1.00 96.32 ? 218 SER A O 1 +ATOM 1554 C CB . SER A 1 217 ? 23.836 107.305 -50.622 1.00 99.37 ? 218 SER A CB 1 +ATOM 1555 O OG . SER A 1 217 ? 25.210 107.026 -50.392 1.00 97.26 ? 218 SER A OG 1 +ATOM 1556 N N . SER A 1 218 ? 23.539 104.563 -52.251 1.00 111.43 ? 219 SER A N 1 +ATOM 1557 C CA . SER A 1 218 ? 24.272 103.504 -53.001 1.00 112.93 ? 219 SER A CA 1 +ATOM 1558 C C . SER A 1 218 ? 25.778 103.660 -52.743 1.00 115.32 ? 219 SER A C 1 +ATOM 1559 O O . SER A 1 218 ? 26.432 102.632 -52.444 1.00 113.86 ? 219 SER A O 1 +ATOM 1560 C CB . SER A 1 218 ? 23.940 103.548 -54.474 1.00 112.59 ? 219 SER A CB 1 +ATOM 1561 N N . GLU A 1 219 ? 26.273 104.911 -52.793 1.00 116.94 ? 220 GLU A N 1 +ATOM 1562 C CA . GLU A 1 219 ? 27.686 105.319 -52.522 1.00 115.29 ? 220 GLU A CA 1 +ATOM 1563 C C . GLU A 1 219 ? 28.144 104.813 -51.138 1.00 110.38 ? 220 GLU A C 1 +ATOM 1564 O O . GLU A 1 219 ? 29.374 104.710 -50.924 1.00 107.16 ? 220 GLU A O 1 +ATOM 1565 C CB . GLU A 1 219 ? 27.815 106.843 -52.656 1.00 113.84 ? 220 GLU A CB 1 +ATOM 1566 N N . GLN A 1 220 ? 27.201 104.488 -50.244 1.00 107.16 ? 221 GLN A N 1 +ATOM 1567 C CA . GLN A 1 220 ? 27.459 104.148 -48.817 1.00 106.33 ? 221 GLN A CA 1 +ATOM 1568 C C . GLN A 1 220 ? 27.482 102.619 -48.634 1.00 109.40 ? 221 GLN A C 1 +ATOM 1569 O O . GLN A 1 220 ? 28.348 102.101 -47.858 1.00 104.19 ? 221 GLN A O 1 +ATOM 1570 C CB . GLN A 1 220 ? 26.413 104.839 -47.929 1.00 103.22 ? 221 GLN A CB 1 +ATOM 1571 C CG . GLN A 1 220 ? 26.734 106.302 -47.632 1.00 101.69 ? 221 GLN A CG 1 +ATOM 1572 C CD . GLN A 1 220 ? 25.767 106.970 -46.678 1.00 98.07 ? 221 GLN A CD 1 +ATOM 1573 O OE1 . GLN A 1 220 ? 24.547 106.745 -46.708 1.00 93.04 ? 221 GLN A OE1 1 +ATOM 1574 N NE2 . GLN A 1 220 ? 26.319 107.827 -45.829 1.00 95.06 ? 221 GLN A NE2 1 +ATOM 1575 N N . VAL A 1 221 ? 26.576 101.908 -49.314 1.00 115.78 ? 222 VAL A N 1 +ATOM 1576 C CA . VAL A 1 221 ? 26.454 100.421 -49.223 1.00 117.91 ? 222 VAL A CA 1 +ATOM 1577 C C . VAL A 1 221 ? 27.642 99.771 -49.966 1.00 124.10 ? 222 VAL A C 1 +ATOM 1578 O O . VAL A 1 221 ? 28.162 98.760 -49.457 1.00 123.49 ? 222 VAL A O 1 +ATOM 1579 C CB . VAL A 1 221 ? 25.072 99.945 -49.721 1.00 116.77 ? 222 VAL A CB 1 +ATOM 1580 C CG1 . VAL A 1 221 ? 24.835 100.259 -51.193 1.00 119.81 ? 222 VAL A CG1 1 +ATOM 1581 C CG2 . VAL A 1 221 ? 24.853 98.461 -49.438 1.00 115.60 ? 222 VAL A CG2 1 +ATOM 1582 N N . LEU A 1 222 ? 28.090 100.347 -51.093 1.00 131.31 ? 223 LEU A N 1 +ATOM 1583 C CA . LEU A 1 222 ? 29.263 99.855 -51.880 1.00 135.77 ? 223 LEU A CA 1 +ATOM 1584 C C . LEU A 1 222 ? 30.561 100.019 -51.064 1.00 135.34 ? 223 LEU A C 1 +ATOM 1585 O O . LEU A 1 222 ? 31.406 99.102 -51.131 1.00 138.75 ? 223 LEU A O 1 +ATOM 1586 C CB . LEU A 1 222 ? 29.346 100.589 -53.227 1.00 135.55 ? 223 LEU A CB 1 +ATOM 1587 N N . LYS A 1 223 ? 30.728 101.125 -50.320 1.00 131.49 ? 224 LYS A N 1 +ATOM 1588 C CA . LYS A 1 223 ? 31.952 101.402 -49.507 1.00 126.81 ? 224 LYS A CA 1 +ATOM 1589 C C . LYS A 1 223 ? 31.989 100.453 -48.298 1.00 122.16 ? 224 LYS A C 1 +ATOM 1590 O O . LYS A 1 223 ? 33.094 100.285 -47.729 1.00 117.16 ? 224 LYS A O 1 +ATOM 1591 C CB . LYS A 1 223 ? 32.036 102.876 -49.080 1.00 124.73 ? 224 LYS A CB 1 +ATOM 1592 C CG . LYS A 1 223 ? 32.562 103.846 -50.137 1.00 123.58 ? 224 LYS A CG 1 +ATOM 1593 N N . PHE A 1 224 ? 30.839 99.848 -47.947 1.00 120.36 ? 225 PHE A N 1 +ATOM 1594 C CA . PHE A 1 224 ? 30.652 98.866 -46.840 1.00 117.75 ? 225 PHE A CA 1 +ATOM 1595 C C . PHE A 1 224 ? 31.157 97.464 -47.233 1.00 117.69 ? 225 PHE A C 1 +ATOM 1596 O O . PHE A 1 224 ? 31.240 96.598 -46.323 1.00 116.64 ? 225 PHE A O 1 +ATOM 1597 C CB . PHE A 1 224 ? 29.179 98.803 -46.409 1.00 114.42 ? 225 PHE A CB 1 +ATOM 1598 N N . ARG A 1 225 ? 31.469 97.233 -48.521 1.00 118.34 ? 226 ARG A N 1 +ATOM 1599 C CA . ARG A 1 225 ? 31.989 95.939 -49.057 1.00 116.05 ? 226 ARG A CA 1 +ATOM 1600 C C . ARG A 1 225 ? 33.450 96.110 -49.516 1.00 116.88 ? 226 ARG A C 1 +ATOM 1601 O O . ARG A 1 225 ? 34.274 95.266 -49.131 1.00 107.34 ? 226 ARG A O 1 +ATOM 1602 C CB . ARG A 1 225 ? 31.072 95.417 -50.170 1.00 115.16 ? 226 ARG A CB 1 +ATOM 1603 C CG . ARG A 1 225 ? 29.615 95.273 -49.751 1.00 113.62 ? 226 ARG A CG 1 +ATOM 1604 C CD . ARG A 1 225 ? 28.748 94.699 -50.854 1.00 117.66 ? 226 ARG A CD 1 +ATOM 1605 N NE . ARG A 1 225 ? 27.345 94.538 -50.467 1.00 119.37 ? 226 ARG A NE 1 +ATOM 1606 C CZ . ARG A 1 225 ? 26.322 95.302 -50.875 1.00 119.91 ? 226 ARG A CZ 1 +ATOM 1607 N NH1 . ARG A 1 225 ? 26.524 96.322 -51.695 1.00 119.20 ? 226 ARG A NH1 1 +ATOM 1608 N NH2 . ARG A 1 225 ? 25.091 95.041 -50.452 1.00 118.52 ? 226 ARG A NH2 1 +ATOM 1609 N N . LYS A 1 226 ? 33.732 97.157 -50.299 1.00 125.26 ? 227 LYS A N 1 +ATOM 1610 C CA . LYS A 1 226 ? 35.108 97.420 -50.801 1.00 126.78 ? 227 LYS A CA 1 +ATOM 1611 C C . LYS A 1 226 ? 36.007 97.819 -49.625 1.00 126.14 ? 227 LYS A C 1 +ATOM 1612 O O . LYS A 1 226 ? 36.128 96.996 -48.697 1.00 121.51 ? 227 LYS A O 1 +ATOM 1613 C CB . LYS A 1 226 ? 35.084 98.516 -51.872 1.00 123.83 ? 227 LYS A CB 1 +ATOM 1614 N N . MET A 1 239 ? 33.067 90.617 -47.714 1.00 134.26 ? 240 MET A N 1 +ATOM 1615 C CA . MET A 1 239 ? 32.243 90.430 -46.483 1.00 132.26 ? 240 MET A CA 1 +ATOM 1616 C C . MET A 1 239 ? 30.772 90.749 -46.790 1.00 129.06 ? 240 MET A C 1 +ATOM 1617 O O . MET A 1 239 ? 30.344 91.874 -46.481 1.00 130.07 ? 240 MET A O 1 +ATOM 1618 C CB . MET A 1 239 ? 32.738 91.333 -45.341 1.00 132.53 ? 240 MET A CB 1 +ATOM 1619 C CG . MET A 1 239 ? 31.972 91.151 -44.025 1.00 132.20 ? 240 MET A CG 1 +ATOM 1620 S SD . MET A 1 239 ? 32.661 92.078 -42.610 1.00 130.44 ? 240 MET A SD 1 +ATOM 1621 C CE . MET A 1 239 ? 34.140 91.117 -42.281 1.00 130.06 ? 240 MET A CE 1 +ATOM 1622 N N . VAL A 1 240 ? 30.026 89.789 -47.355 1.00 125.07 ? 241 VAL A N 1 +ATOM 1623 C CA . VAL A 1 240 ? 28.607 89.968 -47.798 1.00 121.79 ? 241 VAL A CA 1 +ATOM 1624 C C . VAL A 1 240 ? 27.737 88.847 -47.209 1.00 116.52 ? 241 VAL A C 1 +ATOM 1625 O O . VAL A 1 240 ? 28.294 87.893 -46.647 1.00 114.33 ? 241 VAL A O 1 +ATOM 1626 C CB . VAL A 1 240 ? 28.488 90.033 -49.337 1.00 122.59 ? 241 VAL A CB 1 +ATOM 1627 N N . ASP A 1 241 ? 26.414 89.014 -47.312 1.00 115.40 ? 242 ASP A N 1 +ATOM 1628 C CA . ASP A 1 241 ? 25.326 88.095 -46.868 1.00 113.06 ? 242 ASP A CA 1 +ATOM 1629 C C . ASP A 1 241 ? 25.536 87.610 -45.406 1.00 109.04 ? 242 ASP A C 1 +ATOM 1630 O O . ASP A 1 241 ? 25.077 86.484 -45.089 1.00 109.40 ? 242 ASP A O 1 +ATOM 1631 C CB . ASP A 1 241 ? 25.142 86.994 -47.923 1.00 111.85 ? 242 ASP A CB 1 +ATOM 1632 N N . ASN A 1 242 ? 26.091 88.450 -44.509 1.00 104.16 ? 243 ASN A N 1 +ATOM 1633 C CA . ASN A 1 242 ? 26.533 88.079 -43.126 1.00 98.78 ? 243 ASN A CA 1 +ATOM 1634 C C . ASN A 1 242 ? 25.390 88.257 -42.106 1.00 95.37 ? 243 ASN A C 1 +ATOM 1635 O O . ASN A 1 242 ? 25.551 89.029 -41.135 1.00 88.45 ? 243 ASN A O 1 +ATOM 1636 C CB . ASN A 1 242 ? 27.807 88.826 -42.705 1.00 97.97 ? 243 ASN A CB 1 +ATOM 1637 C CG . ASN A 1 242 ? 27.626 90.312 -42.443 1.00 98.55 ? 243 ASN A CG 1 +ATOM 1638 O OD1 . ASN A 1 242 ? 26.638 90.919 -42.847 1.00 100.20 ? 243 ASN A OD1 1 +ATOM 1639 N ND2 . ASN A 1 242 ? 28.597 90.923 -41.783 1.00 98.42 ? 243 ASN A ND2 1 +ATOM 1640 N N . TRP A 1 243 ? 24.300 87.510 -42.303 1.00 98.38 ? 244 TRP A N 1 +ATOM 1641 C CA . TRP A 1 243 ? 23.056 87.491 -41.482 1.00 97.42 ? 244 TRP A CA 1 +ATOM 1642 C C . TRP A 1 243 ? 22.658 86.016 -41.273 1.00 95.80 ? 244 TRP A C 1 +ATOM 1643 O O . TRP A 1 243 ? 23.555 85.161 -41.439 1.00 100.01 ? 244 TRP A O 1 +ATOM 1644 C CB . TRP A 1 243 ? 21.956 88.343 -42.150 1.00 101.95 ? 244 TRP A CB 1 +ATOM 1645 C CG . TRP A 1 243 ? 21.805 88.145 -43.631 1.00 109.64 ? 244 TRP A CG 1 +ATOM 1646 C CD1 . TRP A 1 243 ? 22.648 88.598 -44.606 1.00 110.47 ? 244 TRP A CD1 1 +ATOM 1647 C CD2 . TRP A 1 243 ? 20.741 87.451 -44.315 1.00 117.22 ? 244 TRP A CD2 1 +ATOM 1648 N NE1 . TRP A 1 243 ? 22.193 88.223 -45.840 1.00 116.03 ? 244 TRP A NE1 1 +ATOM 1649 C CE2 . TRP A 1 243 ? 21.022 87.524 -45.698 1.00 118.41 ? 244 TRP A CE2 1 +ATOM 1650 C CE3 . TRP A 1 243 ? 19.582 86.772 -43.906 1.00 120.69 ? 244 TRP A CE3 1 +ATOM 1651 C CZ2 . TRP A 1 243 ? 20.193 86.942 -46.661 1.00 120.55 ? 244 TRP A CZ2 1 +ATOM 1652 C CZ3 . TRP A 1 243 ? 18.761 86.203 -44.860 1.00 121.20 ? 244 TRP A CZ3 1 +ATOM 1653 C CH2 . TRP A 1 243 ? 19.065 86.287 -46.220 1.00 119.32 ? 244 TRP A CH2 1 +ATOM 1654 N N . ARG A 1 244 ? 21.390 85.713 -40.946 1.00 88.89 ? 245 ARG A N 1 +ATOM 1655 C CA . ARG A 1 244 ? 20.932 84.370 -40.478 1.00 85.83 ? 245 ARG A CA 1 +ATOM 1656 C C . ARG A 1 244 ? 19.448 84.203 -40.811 1.00 82.76 ? 245 ARG A C 1 +ATOM 1657 O O . ARG A 1 244 ? 18.688 85.154 -40.654 1.00 76.66 ? 245 ARG A O 1 +ATOM 1658 C CB . ARG A 1 244 ? 21.208 84.262 -38.966 1.00 85.14 ? 245 ARG A CB 1 +ATOM 1659 C CG . ARG A 1 244 ? 20.978 82.886 -38.357 1.00 83.44 ? 245 ARG A CG 1 +ATOM 1660 C CD . ARG A 1 244 ? 20.651 82.944 -36.883 1.00 79.52 ? 245 ARG A CD 1 +ATOM 1661 N NE . ARG A 1 244 ? 20.420 81.620 -36.303 1.00 79.73 ? 245 ARG A NE 1 +ATOM 1662 C CZ . ARG A 1 244 ? 20.077 81.391 -35.027 1.00 76.15 ? 245 ARG A CZ 1 +ATOM 1663 N NH1 . ARG A 1 244 ? 19.917 82.393 -34.177 1.00 73.71 ? 245 ARG A NH1 1 +ATOM 1664 N NH2 . ARG A 1 244 ? 19.895 80.155 -34.604 1.00 73.56 ? 245 ARG A NH2 1 +ATOM 1665 N N . PRO A 1 245 ? 19.012 83.033 -41.330 1.00 86.69 ? 246 PRO A N 1 +ATOM 1666 C CA . PRO A 1 245 ? 17.615 82.834 -41.745 1.00 88.30 ? 246 PRO A CA 1 +ATOM 1667 C C . PRO A 1 245 ? 16.565 83.016 -40.638 1.00 85.79 ? 246 PRO A C 1 +ATOM 1668 O O . PRO A 1 245 ? 16.914 82.920 -39.475 1.00 85.85 ? 246 PRO A O 1 +ATOM 1669 C CB . PRO A 1 245 ? 17.589 81.385 -42.261 1.00 88.39 ? 246 PRO A CB 1 +ATOM 1670 C CG . PRO A 1 245 ? 18.791 80.733 -41.613 1.00 89.03 ? 246 PRO A CG 1 +ATOM 1671 C CD . PRO A 1 245 ? 19.827 81.834 -41.528 1.00 89.56 ? 246 PRO A CD 1 +ATOM 1672 N N . ALA A 1 246 ? 15.312 83.271 -41.037 1.00 85.41 ? 247 ALA A N 1 +ATOM 1673 C CA . ALA A 1 246 ? 14.188 83.436 -40.084 1.00 83.71 ? 247 ALA A CA 1 +ATOM 1674 C C . ALA A 1 246 ? 14.140 82.197 -39.185 1.00 81.13 ? 247 ALA A C 1 +ATOM 1675 O O . ALA A 1 246 ? 14.171 81.073 -39.727 1.00 82.02 ? 247 ALA A O 1 +ATOM 1676 C CB . ALA A 1 246 ? 12.896 83.624 -40.839 1.00 88.18 ? 247 ALA A CB 1 +ATOM 1677 N N . GLN A 1 247 ? 14.034 82.389 -37.867 1.00 76.69 ? 248 GLN A N 1 +ATOM 1678 C CA . GLN A 1 247 ? 14.079 81.226 -36.968 1.00 74.64 ? 248 GLN A CA 1 +ATOM 1679 C C . GLN A 1 247 ? 12.652 80.904 -36.577 1.00 76.01 ? 248 GLN A C 1 +ATOM 1680 O O . GLN A 1 247 ? 11.765 81.739 -36.693 1.00 74.52 ? 248 GLN A O 1 +ATOM 1681 C CB . GLN A 1 247 ? 14.946 81.560 -35.758 1.00 72.19 ? 248 GLN A CB 1 +ATOM 1682 C CG . GLN A 1 247 ? 16.416 81.717 -36.104 1.00 69.69 ? 248 GLN A CG 1 +ATOM 1683 C CD . GLN A 1 247 ? 16.928 80.429 -36.688 1.00 68.58 ? 248 GLN A CD 1 +ATOM 1684 O OE1 . GLN A 1 247 ? 16.447 79.363 -36.330 1.00 69.87 ? 248 GLN A OE1 1 +ATOM 1685 N NE2 . GLN A 1 247 ? 17.888 80.515 -37.592 1.00 67.98 ? 248 GLN A NE2 1 +ATOM 1686 N N . PRO A 1 248 ? 12.391 79.677 -36.101 1.00 80.24 ? 249 PRO A N 1 +ATOM 1687 C CA . PRO A 1 248 ? 11.041 79.320 -35.673 1.00 84.15 ? 249 PRO A CA 1 +ATOM 1688 C C . PRO A 1 248 ? 10.593 80.217 -34.504 1.00 86.28 ? 249 PRO A C 1 +ATOM 1689 O O . PRO A 1 248 ? 11.352 80.410 -33.558 1.00 87.54 ? 249 PRO A O 1 +ATOM 1690 C CB . PRO A 1 248 ? 11.155 77.846 -35.251 1.00 83.97 ? 249 PRO A CB 1 +ATOM 1691 C CG . PRO A 1 248 ? 12.505 77.369 -35.799 1.00 83.47 ? 249 PRO A CG 1 +ATOM 1692 C CD . PRO A 1 248 ? 13.375 78.598 -35.937 1.00 79.91 ? 249 PRO A CD 1 +ATOM 1693 N N . LEU A 1 249 ? 9.374 80.744 -34.585 1.00 87.66 ? 250 LEU A N 1 +ATOM 1694 C CA . LEU A 1 249 ? 8.794 81.638 -33.550 1.00 86.14 ? 250 LEU A CA 1 +ATOM 1695 C C . LEU A 1 249 ? 8.409 80.836 -32.300 1.00 83.72 ? 250 LEU A C 1 +ATOM 1696 O O . LEU A 1 249 ? 8.317 81.452 -31.232 1.00 81.09 ? 250 LEU A O 1 +ATOM 1697 C CB . LEU A 1 249 ? 7.579 82.346 -34.153 1.00 90.20 ? 250 LEU A CB 1 +ATOM 1698 C CG . LEU A 1 249 ? 6.918 83.400 -33.272 1.00 91.20 ? 250 LEU A CG 1 +ATOM 1699 C CD1 . LEU A 1 249 ? 7.958 84.354 -32.706 1.00 90.22 ? 250 LEU A CD1 1 +ATOM 1700 C CD2 . LEU A 1 249 ? 5.847 84.155 -34.057 1.00 93.85 ? 250 LEU A CD2 1 +ATOM 1701 N N . LYS A 1 250 ? 8.174 79.525 -32.437 1.00 85.25 ? 251 LYS A N 1 +ATOM 1702 C CA . LYS A 1 250 ? 7.805 78.597 -31.329 1.00 86.80 ? 251 LYS A CA 1 +ATOM 1703 C C . LYS A 1 250 ? 6.654 79.219 -30.519 1.00 90.73 ? 251 LYS A C 1 +ATOM 1704 O O . LYS A 1 250 ? 5.662 79.654 -31.157 1.00 92.08 ? 251 LYS A O 1 +ATOM 1705 C CB . LYS A 1 250 ? 9.027 78.259 -30.465 1.00 86.18 ? 251 LYS A CB 1 +ATOM 1706 C CG . LYS A 1 250 ? 10.251 77.750 -31.215 1.00 85.68 ? 251 LYS A CG 1 +ATOM 1707 C CD . LYS A 1 250 ? 10.381 76.242 -31.307 1.00 87.21 ? 251 LYS A CD 1 +ATOM 1708 C CE . LYS A 1 250 ? 11.793 75.794 -31.642 1.00 87.46 ? 251 LYS A CE 1 +ATOM 1709 N NZ . LYS A 1 250 ? 12.014 74.353 -31.373 1.00 87.51 ? 251 LYS A NZ 1 +ATOM 1710 N N . ASN A 1 251 ? 6.760 79.270 -29.180 1.00 92.10 ? 252 ASN A N 1 +ATOM 1711 C CA . ASN A 1 251 ? 5.632 79.647 -28.278 1.00 93.63 ? 252 ASN A CA 1 +ATOM 1712 C C . ASN A 1 251 ? 5.475 81.182 -28.281 1.00 91.13 ? 252 ASN A C 1 +ATOM 1713 O O . ASN A 1 251 ? 4.379 81.665 -27.937 1.00 96.68 ? 252 ASN A O 1 +ATOM 1714 C CB . ASN A 1 251 ? 5.788 79.029 -26.875 1.00 91.44 ? 252 ASN A CB 1 +ATOM 1715 N N . ARG A 1 252 ? 6.493 81.919 -28.731 1.00 85.28 ? 253 ARG A N 1 +ATOM 1716 C CA . ARG A 1 252 ? 6.667 83.371 -28.450 1.00 81.74 ? 253 ARG A CA 1 +ATOM 1717 C C . ARG A 1 252 ? 5.637 84.232 -29.186 1.00 81.08 ? 253 ARG A C 1 +ATOM 1718 O O . ARG A 1 252 ? 5.430 84.010 -30.387 1.00 80.51 ? 253 ARG A O 1 +ATOM 1719 C CB . ARG A 1 252 ? 8.063 83.839 -28.865 1.00 76.96 ? 253 ARG A CB 1 +ATOM 1720 C CG . ARG A 1 252 ? 9.190 83.176 -28.084 1.00 72.71 ? 253 ARG A CG 1 +ATOM 1721 C CD . ARG A 1 252 ? 10.516 83.542 -28.715 1.00 67.93 ? 253 ARG A CD 1 +ATOM 1722 N NE . ARG A 1 252 ? 10.727 82.963 -30.032 1.00 64.53 ? 253 ARG A NE 1 +ATOM 1723 C CZ . ARG A 1 252 ? 11.792 83.189 -30.787 1.00 61.51 ? 253 ARG A CZ 1 +ATOM 1724 N NH1 . ARG A 1 252 ? 12.756 83.977 -30.367 1.00 60.17 ? 253 ARG A NH1 1 +ATOM 1725 N NH2 . ARG A 1 252 ? 11.916 82.612 -31.964 1.00 64.30 ? 253 ARG A NH2 1 +ATOM 1726 N N . GLN A 1 253 ? 5.085 85.217 -28.466 1.00 83.53 ? 254 GLN A N 1 +ATOM 1727 C CA . GLN A 1 253 ? 4.302 86.369 -28.991 1.00 83.41 ? 254 GLN A CA 1 +ATOM 1728 C C . GLN A 1 253 ? 5.250 87.528 -29.337 1.00 78.84 ? 254 GLN A C 1 +ATOM 1729 O O . GLN A 1 253 ? 6.161 87.855 -28.531 1.00 73.76 ? 254 GLN A O 1 +ATOM 1730 C CB . GLN A 1 253 ? 3.296 86.875 -27.953 1.00 86.70 ? 254 GLN A CB 1 +ATOM 1731 C CG . GLN A 1 253 ? 2.336 85.812 -27.446 1.00 90.95 ? 254 GLN A CG 1 +ATOM 1732 C CD . GLN A 1 253 ? 1.191 85.574 -28.395 1.00 93.89 ? 254 GLN A CD 1 +ATOM 1733 O OE1 . GLN A 1 253 ? 0.677 86.493 -29.027 1.00 97.30 ? 254 GLN A OE1 1 +ATOM 1734 N NE2 . GLN A 1 253 ? 0.770 84.325 -28.483 1.00 98.19 ? 254 GLN A NE2 1 +ATOM 1735 N N . ILE A 1 254 ? 5.022 88.149 -30.490 1.00 75.92 ? 255 ILE A N 1 +ATOM 1736 C CA . ILE A 1 254 ? 5.596 89.473 -30.840 1.00 74.23 ? 255 ILE A CA 1 +ATOM 1737 C C . ILE A 1 254 ? 4.572 90.567 -30.510 1.00 74.73 ? 255 ILE A C 1 +ATOM 1738 O O . ILE A 1 254 ? 3.463 90.515 -31.078 1.00 81.34 ? 255 ILE A O 1 +ATOM 1739 C CB . ILE A 1 254 ? 5.981 89.456 -32.316 1.00 73.23 ? 255 ILE A CB 1 +ATOM 1740 C CG1 . ILE A 1 254 ? 6.918 88.276 -32.584 1.00 72.86 ? 255 ILE A CG1 1 +ATOM 1741 C CG2 . ILE A 1 254 ? 6.560 90.804 -32.705 1.00 72.61 ? 255 ILE A CG2 1 +ATOM 1742 C CD1 . ILE A 1 254 ? 7.696 88.360 -33.898 1.00 74.23 ? 255 ILE A CD1 1 +ATOM 1743 N N . LYS A 1 255 ? 4.922 91.499 -29.616 1.00 71.83 ? 256 LYS A N 1 +ATOM 1744 C CA . LYS A 1 255 ? 4.055 92.629 -29.190 1.00 71.97 ? 256 LYS A CA 1 +ATOM 1745 C C . LYS A 1 255 ? 4.421 93.834 -30.049 1.00 69.32 ? 256 LYS A C 1 +ATOM 1746 O O . LYS A 1 255 ? 5.516 93.839 -30.614 1.00 70.41 ? 256 LYS A O 1 +ATOM 1747 C CB . LYS A 1 255 ? 4.250 92.945 -27.706 1.00 73.97 ? 256 LYS A CB 1 +ATOM 1748 C CG . LYS A 1 255 ? 4.027 91.776 -26.760 1.00 79.39 ? 256 LYS A CG 1 +ATOM 1749 C CD . LYS A 1 255 ? 4.581 92.024 -25.356 1.00 84.42 ? 256 LYS A CD 1 +ATOM 1750 C CE . LYS A 1 255 ? 3.800 91.312 -24.261 1.00 89.05 ? 256 LYS A CE 1 +ATOM 1751 N NZ . LYS A 1 255 ? 3.725 92.105 -23.005 1.00 90.78 ? 256 LYS A NZ 1 +ATOM 1752 N N . ALA A 1 256 ? 3.548 94.823 -30.155 1.00 67.50 ? 257 ALA A N 1 +ATOM 1753 C CA . ALA A 1 256 ? 3.798 95.998 -31.014 1.00 67.72 ? 257 ALA A CA 1 +ATOM 1754 C C . ALA A 1 256 ? 3.378 97.256 -30.265 1.00 65.85 ? 257 ALA A C 1 +ATOM 1755 O O . ALA A 1 256 ? 2.315 97.229 -29.639 1.00 64.66 ? 257 ALA A O 1 +ATOM 1756 C CB . ALA A 1 256 ? 3.074 95.855 -32.335 1.00 69.23 ? 257 ALA A CB 1 +ATOM 1757 N N . SER A 1 257 ? 4.187 98.313 -30.350 1.00 64.81 ? 258 SER A N 1 +ATOM 1758 C CA . SER A 1 257 ? 3.982 99.569 -29.594 1.00 65.86 ? 258 SER A CA 1 +ATOM 1759 C C . SER A 1 257 ? 2.940 100.453 -30.288 1.00 69.49 ? 258 SER A C 1 +ATOM 1760 O O . SER A 1 257 ? 2.611 101.491 -29.716 1.00 69.76 ? 258 SER A O 1 +ATOM 1761 C CB . SER A 1 257 ? 5.270 100.290 -29.419 1.00 64.22 ? 258 SER A CB 1 +ATOM 1762 O OG . SER A 1 257 ? 5.717 100.782 -30.669 1.00 65.36 ? 258 SER A OG 1 +ATOM 1763 N N . PHE A 1 258 ? 2.420 100.071 -31.461 1.00 74.35 ? 259 PHE A N 1 +ATOM 1764 C CA . PHE A 1 258 ? 1.579 100.975 -32.282 1.00 77.16 ? 259 PHE A CA 1 +ATOM 1765 C C . PHE A 1 258 ? 0.266 100.313 -32.744 1.00 83.56 ? 259 PHE A C 1 +ATOM 1766 O O . PHE A 1 258 ? 0.245 99.144 -33.252 1.00 81.61 ? 259 PHE A O 1 +ATOM 1767 C CB . PHE A 1 258 ? 2.425 101.525 -33.424 1.00 77.82 ? 259 PHE A CB 1 +ATOM 1768 C CG . PHE A 1 258 ? 2.867 100.492 -34.418 1.00 79.04 ? 259 PHE A CG 1 +ATOM 1769 C CD1 . PHE A 1 258 ? 2.024 100.105 -35.445 1.00 81.24 ? 259 PHE A CD1 1 +ATOM 1770 C CD2 . PHE A 1 258 ? 4.116 99.919 -34.324 1.00 79.29 ? 259 PHE A CD2 1 +ATOM 1771 C CE1 . PHE A 1 258 ? 2.426 99.166 -36.374 1.00 81.89 ? 259 PHE A CE1 1 +ATOM 1772 C CE2 . PHE A 1 258 ? 4.517 98.979 -35.255 1.00 81.65 ? 259 PHE A CE2 1 +ATOM 1773 C CZ . PHE A 1 258 ? 3.676 98.612 -36.283 1.00 82.18 ? 259 PHE A CZ 1 +ATOM 1774 N N . LYS A 1 259 ? -0.802 101.115 -32.581 1.00 89.60 ? 260 LYS A N 1 +ATOM 1775 C CA . LYS A 1 259 ? -2.246 100.827 -32.808 1.00 94.04 ? 260 LYS A CA 1 +ATOM 1776 C C . LYS A 1 259 ? -2.678 101.502 -34.116 1.00 96.05 ? 260 LYS A C 1 +ATOM 1777 O O . LYS A 1 259 ? -1.805 101.983 -34.849 1.00 97.46 ? 260 LYS A O 1 +ATOM 1778 C CB . LYS A 1 259 ? -3.072 101.359 -31.626 1.00 94.70 ? 260 LYS A CB 1 +HETATM 1779 O OAA . 4SO B 2 1 ? 22.797 92.139 -31.783 1.00 47.92 ? 301 4SO B OAA 1 +HETATM 1780 O OAB . 4SO B 2 1 ? 28.324 90.572 -27.953 1.00 59.35 ? 301 4SO B OAB 1 +HETATM 1781 C CAC . 4SO B 2 1 ? 26.575 89.007 -30.632 1.00 55.71 ? 301 4SO B CAC 1 +HETATM 1782 C CAD . 4SO B 2 1 ? 25.411 89.233 -31.353 1.00 55.28 ? 301 4SO B CAD 1 +HETATM 1783 C CAE . 4SO B 2 1 ? 24.671 90.383 -31.182 1.00 52.48 ? 301 4SO B CAE 1 +HETATM 1784 S SAF . 4SO B 2 1 ? 23.281 90.715 -32.069 1.00 49.70 ? 301 4SO B SAF 1 +HETATM 1785 N NAG . 4SO B 2 1 ? 23.766 90.508 -33.629 1.00 53.54 ? 301 4SO B NAG 1 +HETATM 1786 C CAH . 4SO B 2 1 ? 28.137 89.786 -28.896 1.00 57.70 ? 301 4SO B CAH 1 +HETATM 1787 C CAI . 4SO B 2 1 ? 27.001 89.915 -29.694 1.00 56.14 ? 301 4SO B CAI 1 +HETATM 1788 C CAJ . 4SO B 2 1 ? 26.247 91.049 -29.525 1.00 56.48 ? 301 4SO B CAJ 1 +HETATM 1789 C CAK . 4SO B 2 1 ? 25.109 91.292 -30.281 1.00 55.04 ? 301 4SO B CAK 1 +HETATM 1790 O OAL . 4SO B 2 1 ? 22.178 89.673 -31.974 1.00 46.67 ? 301 4SO B OAL 1 +HETATM 1791 O O . A1IJ4 B 2 2 ? 35.639 84.387 -27.245 1.00 63.24 ? 302 A1IJ4 B O 1 +HETATM 1792 C C . A1IJ4 B 2 2 ? 36.137 84.134 -26.147 1.00 61.88 ? 302 A1IJ4 B C 1 +HETATM 1793 C C118 . A1IJ4 B 2 2 ? 35.449 86.337 -25.207 1.00 58.60 ? 302 A1IJ4 B C118 1 +HETATM 1794 C C119 . A1IJ4 B 2 2 ? 35.464 86.990 -23.823 1.00 57.90 ? 302 A1IJ4 B C119 1 +HETATM 1795 C C120 . A1IJ4 B 2 2 ? 34.767 88.385 -23.874 1.00 56.72 ? 302 A1IJ4 B C120 1 +HETATM 1796 C C121 . A1IJ4 B 2 2 ? 33.282 88.236 -23.619 1.00 56.34 ? 302 A1IJ4 B C121 1 +HETATM 1797 C C122 . A1IJ4 B 2 2 ? 31.530 87.925 -25.252 1.00 53.51 ? 302 A1IJ4 B C122 1 +HETATM 1798 C C123 . A1IJ4 B 2 2 ? 30.539 87.350 -24.537 1.00 52.80 ? 302 A1IJ4 B C123 1 +HETATM 1799 N N31 . A1IJ4 B 2 2 ? 36.122 85.033 -25.114 1.00 60.27 ? 302 A1IJ4 B N31 1 +HETATM 1800 O O71 . A1IJ4 B 2 2 ? 32.798 88.185 -24.904 1.00 55.21 ? 302 A1IJ4 B O71 1 +HETATM 1801 C C124 . A1IJ4 B 2 2 ? 31.308 88.285 -26.548 1.00 54.25 ? 302 A1IJ4 B C124 1 +HETATM 1802 C C125 . A1IJ4 B 2 2 ? 29.303 87.173 -25.199 1.00 54.04 ? 302 A1IJ4 B C125 1 +HETATM 1803 C C126 . A1IJ4 B 2 2 ? 29.080 87.540 -26.537 1.00 54.17 ? 302 A1IJ4 B C126 1 +HETATM 1804 C C127 . A1IJ4 B 2 2 ? 30.136 88.141 -27.206 1.00 54.15 ? 302 A1IJ4 B C127 1 +HETATM 1805 C C128 . A1IJ4 B 2 2 ? 30.217 88.594 -28.500 1.00 55.84 ? 302 A1IJ4 B C128 1 +HETATM 1806 N N . A1IJ4 B 2 2 ? 28.968 88.781 -29.202 1.00 57.27 ? 302 A1IJ4 B N 1 +HETATM 1807 C C2 . QUJ B 2 3 ? 37.051 82.010 -26.763 1.00 60.03 ? 303 QUJ B C2 1 +HETATM 1808 C C3 . QUJ B 2 3 ? 36.875 82.033 -28.171 1.00 58.97 ? 303 QUJ B C3 1 +HETATM 1809 C C4 . QUJ B 2 3 ? 37.356 80.937 -28.885 1.00 59.16 ? 303 QUJ B C4 1 +HETATM 1810 C C5 . QUJ B 2 3 ? 38.004 79.874 -28.230 1.00 59.01 ? 303 QUJ B C5 1 +HETATM 1811 C C6 . QUJ B 2 3 ? 38.154 79.873 -26.857 1.00 59.91 ? 303 QUJ B C6 1 +HETATM 1812 C C8 . QUJ B 2 3 ? 38.778 78.825 -26.165 1.00 64.73 ? 303 QUJ B C8 1 +HETATM 1813 C C9 . QUJ B 2 3 ? 38.936 78.867 -24.767 1.00 63.51 ? 303 QUJ B C9 1 +HETATM 1814 C CA . QUJ B 2 3 ? 38.455 79.987 -24.096 1.00 59.75 ? 303 QUJ B CA 1 +HETATM 1815 O O . QUJ B 2 3 ? 39.228 79.224 -22.069 1.00 58.39 ? 303 QUJ B O 1 +HETATM 1816 C C . QUJ B 2 3 ? 38.551 80.035 -22.712 1.00 57.84 ? 303 QUJ B C 1 +HETATM 1817 N N11 . QUJ B 2 3 ? 37.833 80.987 -24.789 1.00 55.85 ? 303 QUJ B N11 1 +HETATM 1818 C C7 . QUJ B 2 3 ? 37.696 80.941 -26.121 1.00 58.45 ? 303 QUJ B C7 1 +HETATM 1819 N N . QUJ B 2 3 ? 36.691 82.941 -25.865 1.00 61.47 ? 303 QUJ B N 1 +HETATM 1820 O OB . QUJ B 2 3 ? 39.266 77.777 -26.914 1.00 72.49 ? 303 QUJ B OB 1 +HETATM 1821 C CG . QUJ B 2 3 ? 38.887 76.427 -26.474 1.00 75.90 ? 303 QUJ B CG 1 +HETATM 1822 C CD . QUJ B 2 3 ? 40.026 75.556 -26.923 1.00 77.06 ? 303 QUJ B CD 1 +HETATM 1823 C CE2 . QUJ B 2 3 ? 40.203 75.724 -28.450 1.00 77.27 ? 303 QUJ B CE2 1 +HETATM 1824 C CE1 . QUJ B 2 3 ? 39.680 74.118 -26.510 1.00 78.47 ? 303 QUJ B CE1 1 +HETATM 1825 O O . ZY9 B 2 4 ? 33.034 84.650 -21.993 1.00 53.08 ? 304 ZY9 B O 1 +HETATM 1826 C C . ZY9 B 2 4 ? 33.833 83.722 -22.159 1.00 53.45 ? 304 ZY9 B C 1 +HETATM 1827 C CA . ZY9 B 2 4 ? 34.779 83.406 -21.167 1.00 53.17 ? 304 ZY9 B CA 1 +HETATM 1828 N N11 . ZY9 B 2 4 ? 35.798 82.513 -21.425 1.00 52.52 ? 304 ZY9 B N11 1 +HETATM 1829 C C9 . ZY9 B 2 4 ? 34.707 84.061 -19.934 1.00 52.56 ? 304 ZY9 B C9 1 +HETATM 1830 C C8 . ZY9 B 2 4 ? 35.632 83.733 -18.983 1.00 53.19 ? 304 ZY9 B C8 1 +HETATM 1831 C C6 . ZY9 B 2 4 ? 36.611 82.783 -19.260 1.00 54.04 ? 304 ZY9 B C6 1 +HETATM 1832 C C7 . ZY9 B 2 4 ? 36.680 82.144 -20.490 1.00 53.55 ? 304 ZY9 B C7 1 +HETATM 1833 C C2 . ZY9 B 2 4 ? 37.697 81.179 -20.679 1.00 55.03 ? 304 ZY9 B C2 1 +HETATM 1834 N N . ZY9 B 2 4 ? 37.807 80.991 -22.139 1.00 55.74 ? 304 ZY9 B N 1 +HETATM 1835 O OB . QVS B 2 5 ? 32.539 81.184 -28.726 1.00 58.94 ? 305 QVS B OB 1 +HETATM 1836 C C8 . QVS B 2 5 ? 33.108 81.035 -27.486 1.00 56.56 ? 305 QVS B C8 1 +HETATM 1837 C C9 . QVS B 2 5 ? 33.856 79.908 -27.098 1.00 56.35 ? 305 QVS B C9 1 +HETATM 1838 C CA . QVS B 2 5 ? 34.359 79.870 -25.805 1.00 56.89 ? 305 QVS B CA 1 +HETATM 1839 C C . QVS B 2 5 ? 35.079 78.772 -25.271 1.00 57.80 ? 305 QVS B C 1 +HETATM 1840 O O . QVS B 2 5 ? 35.583 77.890 -25.987 1.00 57.81 ? 305 QVS B O 1 +HETATM 1841 N N11 . QVS B 2 5 ? 34.134 80.934 -24.978 1.00 56.78 ? 305 QVS B N11 1 +HETATM 1842 C C7 . QVS B 2 5 ? 33.415 82.026 -25.330 1.00 55.53 ? 305 QVS B C7 1 +HETATM 1843 C C6 . QVS B 2 5 ? 32.889 82.088 -26.617 1.00 55.71 ? 305 QVS B C6 1 +HETATM 1844 C C5 . QVS B 2 5 ? 32.142 83.172 -27.027 1.00 54.10 ? 305 QVS B C5 1 +HETATM 1845 C C4 . QVS B 2 5 ? 31.951 84.185 -26.101 1.00 55.14 ? 305 QVS B C4 1 +HETATM 1846 C C3 . QVS B 2 5 ? 32.479 84.168 -24.811 1.00 54.43 ? 305 QVS B C3 1 +HETATM 1847 C C2 . QVS B 2 5 ? 33.181 83.043 -24.408 1.00 54.47 ? 305 QVS B C2 1 +HETATM 1848 N N . QVS B 2 5 ? 33.843 82.913 -23.248 1.00 55.06 ? 305 QVS B N 1 +HETATM 1849 O O . QUK B 2 6 ? 33.508 80.875 -18.577 1.00 60.25 ? 306 QUK B O 1 +HETATM 1850 C C . QUK B 2 6 ? 33.573 80.371 -19.739 1.00 59.09 ? 306 QUK B C 1 +HETATM 1851 C C10 . QUK B 2 6 ? 34.539 79.358 -20.062 1.00 59.41 ? 306 QUK B C10 1 +HETATM 1852 N N11 . QUK B 2 6 ? 34.840 79.079 -21.353 1.00 59.09 ? 306 QUK B N11 1 +HETATM 1853 C C7 . QUK B 2 6 ? 35.676 78.133 -21.748 1.00 59.08 ? 306 QUK B C7 1 +HETATM 1854 C CA . QUK B 2 6 ? 35.854 77.932 -23.104 1.00 59.04 ? 306 QUK B CA 1 +HETATM 1855 N N . QUK B 2 6 ? 35.144 78.757 -23.907 1.00 57.59 ? 306 QUK B N 1 +HETATM 1856 C C9 . QUK B 2 6 ? 35.209 78.653 -19.080 1.00 60.30 ? 306 QUK B C9 1 +HETATM 1857 C C8 . QUK B 2 6 ? 36.072 77.617 -19.468 1.00 61.43 ? 306 QUK B C8 1 +HETATM 1858 C C6 . QUK B 2 6 ? 36.234 77.342 -20.811 1.00 60.16 ? 306 QUK B C6 1 +HETATM 1859 C C5 . QUK B 2 6 ? 37.068 76.322 -21.239 1.00 61.54 ? 306 QUK B C5 1 +HETATM 1860 C C4 . QUK B 2 6 ? 37.259 76.078 -22.600 1.00 60.92 ? 306 QUK B C4 1 +HETATM 1861 C C3 . QUK B 2 6 ? 36.621 76.900 -23.539 1.00 59.95 ? 306 QUK B C3 1 +HETATM 1862 O OB . QUK B 2 6 ? 36.680 76.841 -18.522 1.00 64.27 ? 306 QUK B OB 1 +HETATM 1863 C CG . QUK B 2 6 ? 36.384 77.041 -17.075 1.00 65.87 ? 306 QUK B CG 1 +HETATM 1864 C CD . QUK B 2 6 ? 37.100 76.063 -16.144 1.00 67.85 ? 306 QUK B CD 1 +HETATM 1865 C CE . QUK B 2 6 ? 38.122 75.283 -16.977 1.00 70.70 ? 306 QUK B CE 1 +HETATM 1866 N N1 . QUK B 2 6 ? 37.583 73.948 -17.294 1.00 71.39 ? 306 QUK B N1 1 +HETATM 1867 O O . ZY9 B 2 7 ? 30.190 79.856 -26.047 1.00 53.34 ? 307 ZY9 B O 1 +HETATM 1868 C C . ZY9 B 2 7 ? 30.695 79.816 -24.900 1.00 57.52 ? 307 ZY9 B C 1 +HETATM 1869 C CA . ZY9 B 2 7 ? 30.486 80.880 -23.949 1.00 57.40 ? 307 ZY9 B CA 1 +HETATM 1870 N N11 . ZY9 B 2 7 ? 31.098 80.810 -22.724 1.00 58.40 ? 307 ZY9 B N11 1 +HETATM 1871 C C9 . ZY9 B 2 7 ? 29.698 82.043 -24.222 1.00 58.31 ? 307 ZY9 B C9 1 +HETATM 1872 C C8 . ZY9 B 2 7 ? 29.526 83.069 -23.267 1.00 55.91 ? 307 ZY9 B C8 1 +HETATM 1873 C C6 . ZY9 B 2 7 ? 30.170 82.928 -22.022 1.00 56.84 ? 307 ZY9 B C6 1 +HETATM 1874 C C7 . ZY9 B 2 7 ? 30.979 81.798 -21.768 1.00 57.23 ? 307 ZY9 B C7 1 +HETATM 1875 C C2 . ZY9 B 2 7 ? 31.602 81.695 -20.552 1.00 56.21 ? 307 ZY9 B C2 1 +HETATM 1876 N N . ZY9 B 2 7 ? 32.693 80.692 -20.719 1.00 56.54 ? 307 ZY9 B N 1 +HETATM 1877 O O . QVE B 2 8 ? 33.566 75.544 -19.852 1.00 60.60 ? 308 QVE B O 1 +HETATM 1878 C C . QVE B 2 8 ? 32.937 76.185 -20.665 1.00 60.59 ? 308 QVE B C 1 +HETATM 1879 C CA . QVE B 2 8 ? 33.016 75.968 -22.052 1.00 60.51 ? 308 QVE B CA 1 +HETATM 1880 N N11 . QVE B 2 8 ? 32.509 76.883 -22.910 1.00 57.93 ? 308 QVE B N11 1 +HETATM 1881 C C7 . QVE B 2 8 ? 32.542 76.693 -24.235 1.00 58.88 ? 308 QVE B C7 1 +HETATM 1882 C C2 . QVE B 2 8 ? 31.939 77.630 -25.088 1.00 58.69 ? 308 QVE B C2 1 +HETATM 1883 N N . QVE B 2 8 ? 31.460 78.753 -24.416 1.00 60.65 ? 308 QVE B N 1 +HETATM 1884 C C9 . QVE B 2 8 ? 33.567 74.801 -22.543 1.00 61.54 ? 308 QVE B C9 1 +HETATM 1885 C C8 . QVE B 2 8 ? 33.611 74.608 -23.905 1.00 61.90 ? 308 QVE B C8 1 +HETATM 1886 O OB . QVE B 2 8 ? 34.105 73.494 -24.438 1.00 67.95 ? 308 QVE B OB 1 +HETATM 1887 C CG . QVE B 2 8 ? 35.492 73.588 -24.522 1.00 75.52 ? 308 QVE B CG 1 +HETATM 1888 C CD . QVE B 2 8 ? 35.887 72.257 -23.902 1.00 80.80 ? 308 QVE B CD 1 +HETATM 1889 O OE2 . QVE B 2 8 ? 34.959 71.388 -23.867 1.00 81.31 ? 308 QVE B OE2 1 +HETATM 1890 O OE1 . QVE B 2 8 ? 37.103 72.149 -23.451 1.00 86.88 ? 308 QVE B OE1 1 +HETATM 1891 C C6 . QVE B 2 8 ? 33.117 75.541 -24.777 1.00 60.12 ? 308 QVE B C6 1 +HETATM 1892 C C5 . QVE B 2 8 ? 33.105 75.361 -26.160 1.00 59.12 ? 308 QVE B C5 1 +HETATM 1893 C C4 . QVE B 2 8 ? 32.526 76.297 -27.024 1.00 57.46 ? 308 QVE B C4 1 +HETATM 1894 C C3 . QVE B 2 8 ? 31.963 77.433 -26.475 1.00 57.56 ? 308 QVE B C3 1 +HETATM 1895 O O . ZY9 B 2 9 ? 27.463 80.643 -21.712 1.00 57.63 ? 309 ZY9 B O 1 +HETATM 1896 C C . ZY9 B 2 9 ? 28.229 79.680 -21.523 1.00 60.40 ? 309 ZY9 B C 1 +HETATM 1897 C CA . ZY9 B 2 9 ? 28.941 79.536 -20.295 1.00 60.15 ? 309 ZY9 B CA 1 +HETATM 1898 N N11 . ZY9 B 2 9 ? 30.036 78.708 -20.186 1.00 59.55 ? 309 ZY9 B N11 1 +HETATM 1899 C C9 . ZY9 B 2 9 ? 28.475 80.208 -19.132 1.00 59.09 ? 309 ZY9 B C9 1 +HETATM 1900 C C8 . ZY9 B 2 9 ? 29.113 80.051 -17.923 1.00 57.54 ? 309 ZY9 B C8 1 +HETATM 1901 C C6 . ZY9 B 2 9 ? 30.202 79.178 -17.886 1.00 57.74 ? 309 ZY9 B C6 1 +HETATM 1902 C C7 . ZY9 B 2 9 ? 30.665 78.492 -19.012 1.00 57.93 ? 309 ZY9 B C7 1 +HETATM 1903 C C2 . ZY9 B 2 9 ? 31.760 77.624 -18.912 1.00 58.52 ? 309 ZY9 B C2 1 +HETATM 1904 N N . ZY9 B 2 9 ? 32.049 77.183 -20.301 1.00 59.09 ? 309 ZY9 B N 1 +HETATM 1905 O O . ZY9 B 2 10 ? 30.497 73.428 -23.601 1.00 65.70 ? 310 ZY9 B O 1 +HETATM 1906 C C . ZY9 B 2 10 ? 29.914 74.409 -23.184 1.00 64.73 ? 310 ZY9 B C 1 +HETATM 1907 C CA . ZY9 B 2 10 ? 29.405 75.274 -24.082 1.00 64.19 ? 310 ZY9 B CA 1 +HETATM 1908 N N11 . ZY9 B 2 10 ? 28.880 76.416 -23.568 1.00 64.31 ? 310 ZY9 B N11 1 +HETATM 1909 C C9 . ZY9 B 2 10 ? 29.457 75.042 -25.471 1.00 64.61 ? 310 ZY9 B C9 1 +HETATM 1910 C C8 . ZY9 B 2 10 ? 28.830 75.994 -26.338 1.00 64.64 ? 310 ZY9 B C8 1 +HETATM 1911 C C6 . ZY9 B 2 10 ? 28.208 77.184 -25.766 1.00 65.81 ? 310 ZY9 B C6 1 +HETATM 1912 C C7 . ZY9 B 2 10 ? 28.233 77.374 -24.356 1.00 64.19 ? 310 ZY9 B C7 1 +HETATM 1913 C C2 . ZY9 B 2 10 ? 27.725 78.529 -23.760 1.00 62.72 ? 310 ZY9 B C2 1 +HETATM 1914 N N . ZY9 B 2 10 ? 28.396 78.671 -22.420 1.00 63.30 ? 310 ZY9 B N 1 +HETATM 1915 O OB . QVS B 2 11 ? 30.480 73.808 -16.024 1.00 63.23 ? 311 QVS B OB 1 +HETATM 1916 C C8 . QVS B 2 11 ? 29.953 74.413 -17.144 1.00 61.72 ? 311 QVS B C8 1 +HETATM 1917 C C9 . QVS B 2 11 ? 28.982 75.398 -17.050 1.00 59.96 ? 311 QVS B C9 1 +HETATM 1918 C CA . QVS B 2 11 ? 28.511 75.942 -18.203 1.00 59.19 ? 311 QVS B CA 1 +HETATM 1919 C C . QVS B 2 11 ? 27.515 76.966 -18.306 1.00 58.79 ? 311 QVS B C 1 +HETATM 1920 O O . QVS B 2 11 ? 27.188 77.706 -17.368 1.00 57.42 ? 311 QVS B O 1 +HETATM 1921 N N11 . QVS B 2 11 ? 29.033 75.486 -19.344 1.00 61.08 ? 311 QVS B N11 1 +HETATM 1922 C C7 . QVS B 2 11 ? 29.920 74.479 -19.504 1.00 61.61 ? 311 QVS B C7 1 +HETATM 1923 C C6 . QVS B 2 11 ? 30.405 73.919 -18.373 1.00 61.15 ? 311 QVS B C6 1 +HETATM 1924 C C5 . QVS B 2 11 ? 31.337 72.896 -18.486 1.00 62.81 ? 311 QVS B C5 1 +HETATM 1925 C C4 . QVS B 2 11 ? 31.788 72.452 -19.737 1.00 64.04 ? 311 QVS B C4 1 +HETATM 1926 C C3 . QVS B 2 11 ? 31.296 73.010 -20.906 1.00 63.82 ? 311 QVS B C3 1 +HETATM 1927 C C2 . QVS B 2 11 ? 30.328 74.019 -20.800 1.00 63.15 ? 311 QVS B C2 1 +HETATM 1928 N N . QVS B 2 11 ? 29.795 74.712 -21.877 1.00 64.21 ? 311 QVS B N 1 +HETATM 1929 O O . ZY9 B 2 12 ? 25.240 74.839 -24.803 1.00 58.47 ? 312 ZY9 B O 1 +HETATM 1930 C C . ZY9 B 2 12 ? 25.508 75.011 -23.582 1.00 60.49 ? 312 ZY9 B C 1 +HETATM 1931 C CA . ZY9 B 2 12 ? 25.113 76.252 -22.944 1.00 59.81 ? 312 ZY9 B CA 1 +HETATM 1932 N N11 . ZY9 B 2 12 ? 25.616 76.609 -21.732 1.00 58.77 ? 312 ZY9 B N11 1 +HETATM 1933 C C9 . ZY9 B 2 12 ? 24.292 77.212 -23.557 1.00 60.13 ? 312 ZY9 B C9 1 +HETATM 1934 C C8 . ZY9 B 2 12 ? 23.982 78.417 -22.893 1.00 57.00 ? 312 ZY9 B C8 1 +HETATM 1935 C C6 . ZY9 B 2 12 ? 24.513 78.691 -21.639 1.00 55.74 ? 312 ZY9 B C6 1 +HETATM 1936 C C7 . ZY9 B 2 12 ? 25.365 77.763 -21.074 1.00 56.87 ? 312 ZY9 B C7 1 +HETATM 1937 C C2 . ZY9 B 2 12 ? 25.871 78.035 -19.813 1.00 57.05 ? 312 ZY9 B C2 1 +HETATM 1938 N N . ZY9 B 2 12 ? 26.945 77.071 -19.514 1.00 57.27 ? 312 ZY9 B N 1 +HETATM 1939 O OD1 . QDD B 2 13 ? 31.095 69.390 -22.343 1.00 72.32 ? 313 QDD B OD1 1 +HETATM 1940 C CG . QDD B 2 13 ? 30.634 69.315 -21.185 1.00 67.97 ? 313 QDD B CG 1 +HETATM 1941 O OD2 . QDD B 2 13 ? 31.354 69.285 -20.161 1.00 69.18 ? 313 QDD B OD2 1 +HETATM 1942 C CB . QDD B 2 13 ? 29.155 69.055 -21.073 1.00 65.04 ? 313 QDD B CB 1 +HETATM 1943 C C8 . QDD B 2 13 ? 28.471 70.304 -21.080 1.00 64.01 ? 313 QDD B C8 1 +HETATM 1944 C C9 . QDD B 2 13 ? 28.146 70.882 -19.841 1.00 64.75 ? 313 QDD B C9 1 +HETATM 1945 C C10 . QDD B 2 13 ? 27.463 72.109 -19.766 1.00 64.26 ? 313 QDD B C10 1 +HETATM 1946 C C . QDD B 2 13 ? 27.111 72.763 -18.552 1.00 65.86 ? 313 QDD B C 1 +HETATM 1947 O O . QDD B 2 13 ? 27.575 72.388 -17.464 1.00 67.63 ? 313 QDD B O 1 +HETATM 1948 N N11 . QDD B 2 13 ? 27.099 72.705 -20.892 1.00 60.84 ? 313 QDD B N11 1 +HETATM 1949 C C7 . QDD B 2 13 ? 27.328 72.223 -22.097 1.00 60.32 ? 313 QDD B C7 1 +HETATM 1950 C C6 . QDD B 2 13 ? 28.033 71.009 -22.248 1.00 61.34 ? 313 QDD B C6 1 +HETATM 1951 C C5 . QDD B 2 13 ? 28.253 70.567 -23.544 1.00 59.21 ? 313 QDD B C5 1 +HETATM 1952 C C4 . QDD B 2 13 ? 27.786 71.307 -24.603 1.00 60.05 ? 313 QDD B C4 1 +HETATM 1953 C C3 . QDD B 2 13 ? 27.086 72.514 -24.446 1.00 60.66 ? 313 QDD B C3 1 +HETATM 1954 C C2 . QDD B 2 13 ? 26.813 72.966 -23.162 1.00 60.37 ? 313 QDD B C2 1 +HETATM 1955 N N . QDD B 2 13 ? 26.213 74.144 -22.799 1.00 61.60 ? 313 QDD B N 1 +HETATM 1956 O O . ZY9 B 2 14 ? 21.920 76.634 -21.749 1.00 62.42 ? 314 ZY9 B O 1 +HETATM 1957 C C . ZY9 B 2 14 ? 22.453 75.708 -21.080 1.00 65.16 ? 314 ZY9 B C 1 +HETATM 1958 C C10 . ZY9 B 2 14 ? 22.910 75.910 -19.729 1.00 65.36 ? 314 ZY9 B C10 1 +HETATM 1959 N N11 . ZY9 B 2 14 ? 24.016 75.217 -19.308 1.00 64.32 ? 314 ZY9 B N11 1 +HETATM 1960 C C9 . ZY9 B 2 14 ? 22.251 76.782 -18.842 1.00 64.66 ? 314 ZY9 B C9 1 +HETATM 1961 C C8 . ZY9 B 2 14 ? 22.735 76.912 -17.548 1.00 62.97 ? 314 ZY9 B C8 1 +HETATM 1962 C C6 . ZY9 B 2 14 ? 23.854 76.180 -17.194 1.00 63.59 ? 314 ZY9 B C6 1 +HETATM 1963 C C7 . ZY9 B 2 14 ? 24.507 75.321 -18.063 1.00 63.94 ? 314 ZY9 B C7 1 +HETATM 1964 C C2 . ZY9 B 2 14 ? 25.613 74.601 -17.592 1.00 65.31 ? 314 ZY9 B C2 1 +HETATM 1965 N N . ZY9 B 2 14 ? 26.270 73.779 -18.683 1.00 65.05 ? 314 ZY9 B N 1 +HETATM 1966 O O . QVE B 2 15 ? 25.517 69.257 -21.092 1.00 61.68 ? 315 QVE B O 1 +HETATM 1967 C C . QVE B 2 15 ? 24.801 70.230 -20.922 1.00 63.62 ? 315 QVE B C 1 +HETATM 1968 C CA . QVE B 2 15 ? 24.225 70.873 -21.998 1.00 62.34 ? 315 QVE B CA 1 +HETATM 1969 N N11 . QVE B 2 15 ? 23.640 72.092 -21.875 1.00 60.49 ? 315 QVE B N11 1 +HETATM 1970 C C7 . QVE B 2 15 ? 22.917 72.687 -22.905 1.00 61.07 ? 315 QVE B C7 1 +HETATM 1971 C C2 . QVE B 2 15 ? 22.362 73.966 -22.746 1.00 61.62 ? 315 QVE B C2 1 +HETATM 1972 N N . QVE B 2 15 ? 22.611 74.434 -21.523 1.00 64.15 ? 315 QVE B N 1 +HETATM 1973 C C9 . QVE B 2 15 ? 24.124 70.231 -23.211 1.00 63.95 ? 315 QVE B C9 1 +HETATM 1974 C C8 . QVE B 2 15 ? 23.462 70.833 -24.281 1.00 63.45 ? 315 QVE B C8 1 +HETATM 1975 O OB . QVE B 2 15 ? 23.216 70.250 -25.465 1.00 66.29 ? 315 QVE B OB 1 +HETATM 1976 C CG . QVE B 2 15 ? 24.385 69.629 -26.086 1.00 69.45 ? 315 QVE B CG 1 +HETATM 1977 C CD . QVE B 2 15 ? 23.808 68.859 -27.385 1.00 73.41 ? 315 QVE B CD 1 +HETATM 1978 O OE2 . QVE B 2 15 ? 24.706 68.234 -28.013 1.00 75.80 ? 315 QVE B OE2 1 +HETATM 1979 O OE1 . QVE B 2 15 ? 22.519 68.813 -27.627 1.00 72.90 ? 315 QVE B OE1 1 +HETATM 1980 C C6 . QVE B 2 15 ? 22.801 72.067 -24.146 1.00 62.26 ? 315 QVE B C6 1 +HETATM 1981 C C5 . QVE B 2 15 ? 22.151 72.693 -25.252 1.00 61.58 ? 315 QVE B C5 1 +HETATM 1982 C C4 . QVE B 2 15 ? 21.608 73.985 -25.085 1.00 62.02 ? 315 QVE B C4 1 +HETATM 1983 C C3 . QVE B 2 15 ? 21.729 74.632 -23.827 1.00 62.01 ? 315 QVE B C3 1 +HETATM 1984 O O . QUK B 2 16 ? 20.692 73.209 -18.261 1.00 75.53 ? 316 QUK B O 1 +HETATM 1985 C C . QUK B 2 16 ? 21.410 73.390 -17.269 1.00 72.46 ? 316 QUK B C 1 +HETATM 1986 C C10 . QUK B 2 16 ? 22.452 72.538 -16.854 1.00 70.57 ? 316 QUK B C10 1 +HETATM 1987 N N11 . QUK B 2 16 ? 23.202 71.875 -17.763 1.00 68.62 ? 316 QUK B N11 1 +HETATM 1988 C C7 . QUK B 2 16 ? 24.134 70.945 -17.461 1.00 68.52 ? 316 QUK B C7 1 +HETATM 1989 C CA . QUK B 2 16 ? 24.811 70.280 -18.485 1.00 67.49 ? 316 QUK B CA 1 +HETATM 1990 N N . QUK B 2 16 ? 24.439 70.707 -19.714 1.00 66.49 ? 316 QUK B N 1 +HETATM 1991 C C9 . QUK B 2 16 ? 22.684 72.275 -15.512 1.00 71.52 ? 316 QUK B C9 1 +HETATM 1992 C C8 . QUK B 2 16 ? 23.669 71.327 -15.157 1.00 72.96 ? 316 QUK B C8 1 +HETATM 1993 C C6 . QUK B 2 16 ? 24.389 70.636 -16.137 1.00 70.53 ? 316 QUK B C6 1 +HETATM 1994 C C5 . QUK B 2 16 ? 25.322 69.602 -15.842 1.00 70.92 ? 316 QUK B C5 1 +HETATM 1995 C C4 . QUK B 2 16 ? 26.012 68.956 -16.856 1.00 69.50 ? 316 QUK B C4 1 +HETATM 1996 C C3 . QUK B 2 16 ? 25.770 69.295 -18.189 1.00 67.75 ? 316 QUK B C3 1 +HETATM 1997 O OB . QUK B 2 16 ? 23.954 70.979 -13.858 1.00 79.29 ? 316 QUK B OB 1 +HETATM 1998 C CG . QUK B 2 16 ? 22.997 71.447 -12.723 1.00 82.34 ? 316 QUK B CG 1 +HETATM 1999 C CD . QUK B 2 16 ? 23.488 70.901 -11.357 1.00 84.92 ? 316 QUK B CD 1 +HETATM 2000 C CE . QUK B 2 16 ? 24.836 70.169 -11.500 1.00 86.88 ? 316 QUK B CE 1 +HETATM 2001 O OXT . QUK B 2 16 ? 21.189 74.460 -16.643 1.00 71.70 ? 316 QUK B OXT 1 +HETATM 2002 N N1 . QUK B 2 16 ? 25.809 71.054 -12.153 1.00 86.47 ? 316 QUK B N1 1 +HETATM 2003 ZN ZN . ZN C 3 . ? 23.784 92.106 -35.005 1.00 87.11 ? 301 ZN A ZN 1 +HETATM 2004 O O . HOH D 4 . ? 14.105 94.712 -18.935 1.00 51.99 ? 401 HOH A O 1 +HETATM 2005 O O . HOH D 4 . ? 12.971 101.035 -18.769 1.00 56.65 ? 402 HOH A O 1 +HETATM 2006 O O . HOH D 4 . ? 8.215 104.439 -28.207 1.00 58.43 ? 403 HOH A O 1 +HETATM 2007 O O . HOH D 4 . ? 26.976 110.606 -36.081 1.00 60.57 ? 404 HOH A O 1 +HETATM 2008 O O . HOH E 4 . ? 25.652 79.879 -17.259 1.00 59.26 ? 401 HOH B O 1 +HETATM 2009 O O . HOH E 4 . ? 26.120 73.047 -14.527 1.00 59.57 ? 402 HOH B O 1 +# +loop_ +_atom_site_anisotrop.id +_atom_site_anisotrop.type_symbol +_atom_site_anisotrop.pdbx_label_atom_id +_atom_site_anisotrop.pdbx_label_alt_id +_atom_site_anisotrop.pdbx_label_comp_id +_atom_site_anisotrop.pdbx_label_asym_id +_atom_site_anisotrop.pdbx_label_seq_id +_atom_site_anisotrop.pdbx_PDB_ins_code +_atom_site_anisotrop.U[1][1] +_atom_site_anisotrop.U[2][2] +_atom_site_anisotrop.U[3][3] +_atom_site_anisotrop.U[1][2] +_atom_site_anisotrop.U[1][3] +_atom_site_anisotrop.U[2][3] +_atom_site_anisotrop.pdbx_auth_seq_id +_atom_site_anisotrop.pdbx_auth_comp_id +_atom_site_anisotrop.pdbx_auth_asym_id +_atom_site_anisotrop.pdbx_auth_atom_id +1 N N . GLY A 11 ? 1.6017 1.3066 1.1513 0.0710 0.0993 -0.1327 12 GLY A N +2 C CA . GLY A 11 ? 1.6381 1.3518 1.1613 0.0668 0.0858 -0.1232 12 GLY A CA +3 C C . GLY A 11 ? 1.6721 1.3928 1.2018 0.0586 0.0543 -0.1256 12 GLY A C +4 O O . GLY A 11 ? 1.6349 1.3559 1.1932 0.0554 0.0427 -0.1325 12 GLY A O +5 N N . PRO A 12 ? 1.7472 1.4736 1.2544 0.0553 0.0407 -0.1191 13 PRO A N +6 C CA . PRO A 12 ? 1.7529 1.4903 1.2756 0.0469 0.0137 -0.1169 13 PRO A CA +7 C C . PRO A 12 ? 1.8086 1.5390 1.3493 0.0444 -0.0056 -0.1293 13 PRO A C +8 O O . PRO A 12 ? 1.8019 1.5499 1.3811 0.0361 -0.0192 -0.1211 13 PRO A O +9 C CB . PRO A 12 ? 1.7545 1.4830 1.2306 0.0494 0.0052 -0.1171 13 PRO A CB +10 C CG . PRO A 12 ? 1.7582 1.4894 1.2182 0.0537 0.0290 -0.1066 13 PRO A CG +11 C CD . PRO A 12 ? 1.7721 1.4959 1.2432 0.0595 0.0525 -0.1113 13 PRO A CD +12 N N . GLU A 13 ? 1.9266 1.6311 1.4400 0.0518 -0.0065 -0.1481 14 GLU A N +13 C CA . GLU A 13 ? 1.9657 1.6600 1.4973 0.0503 -0.0257 -0.1623 14 GLU A CA +14 C C . GLU A 13 ? 1.9650 1.6741 1.5552 0.0457 -0.0196 -0.1570 14 GLU A C +15 O O . GLU A 13 ? 2.0044 1.7182 1.6293 0.0400 -0.0381 -0.1585 14 GLU A O +16 C CB . GLU A 13 ? 1.9620 1.6216 1.4459 0.0605 -0.0259 -0.1854 14 GLU A CB +17 N N . HIS A 14 ? 1.9264 1.6425 1.5305 0.0479 0.0044 -0.1497 15 HIS A N +18 C CA . HIS A 14 ? 1.8721 1.5997 1.5308 0.0446 0.0114 -0.1441 15 HIS A CA +19 C C . HIS A 14 ? 1.7525 1.5072 1.4421 0.0373 0.0159 -0.1215 15 HIS A C +20 O O . HIS A 14 ? 1.7274 1.4893 1.4484 0.0374 0.0302 -0.1143 15 HIS A O +21 C CB . HIS A 14 ? 1.9286 1.6382 1.5825 0.0541 0.0342 -0.1563 15 HIS A CB +22 C CG . HIS A 14 ? 1.9978 1.6762 1.6042 0.0633 0.0330 -0.1796 15 HIS A CG +23 N ND1 . HIS A 14 ? 2.0135 1.6802 1.6152 0.0615 0.0074 -0.1932 15 HIS A ND1 +24 C CD2 . HIS A 14 ? 2.0569 1.7116 1.6168 0.0746 0.0534 -0.1919 15 HIS A CD2 +25 C CE1 . HIS A 14 ? 2.0913 1.7272 1.6429 0.0712 0.0096 -0.2142 15 HIS A CE1 +26 N NE2 . HIS A 14 ? 2.1475 1.7750 1.6697 0.0797 0.0390 -0.2137 15 HIS A NE2 +27 N N . TRP A 15 ? 1.6056 1.3736 1.2877 0.0314 0.0033 -0.1110 16 TRP A N +28 C CA . TRP A 15 ? 1.4768 1.2686 1.1844 0.0241 0.0034 -0.0911 16 TRP A CA +29 C C . TRP A 15 ? 1.4243 1.2277 1.1745 0.0165 -0.0106 -0.0839 16 TRP A C +30 O O . TRP A 15 ? 1.3779 1.1937 1.1592 0.0126 -0.0068 -0.0715 16 TRP A O +31 C CB . TRP A 15 ? 1.3930 1.1913 1.0714 0.0224 -0.0007 -0.0844 16 TRP A CB +32 C CG . TRP A 15 ? 1.3316 1.1248 0.9803 0.0283 0.0165 -0.0835 16 TRP A CG +33 C CD1 . TRP A 15 ? 1.3146 1.0998 0.9636 0.0346 0.0367 -0.0863 16 TRP A CD1 +34 C CD2 . TRP A 15 ? 1.2553 1.0519 0.8754 0.0286 0.0169 -0.0776 16 TRP A CD2 +35 N NE1 . TRP A 15 ? 1.2856 1.0687 0.9075 0.0388 0.0500 -0.0819 16 TRP A NE1 +36 C CE2 . TRP A 15 ? 1.2617 1.0516 0.8650 0.0351 0.0375 -0.0767 16 TRP A CE2 +37 C CE3 . TRP A 15 ? 1.2314 1.0357 0.8415 0.0244 0.0031 -0.0725 16 TRP A CE3 +38 C CZ2 . TRP A 15 ? 1.2639 1.0548 0.8407 0.0371 0.0433 -0.0703 16 TRP A CZ2 +39 C CZ3 . TRP A 15 ? 1.2360 1.0413 0.8205 0.0263 0.0083 -0.0671 16 TRP A CZ3 +40 C CH2 . TRP A 15 ? 1.2492 1.0478 0.8167 0.0325 0.0275 -0.0659 16 TRP A CH2 +41 N N . HIS A 16 ? 1.4473 1.2450 1.2004 0.0149 -0.0267 -0.0913 17 HIS A N +42 C CA . HIS A 16 ? 1.4731 1.2796 1.2686 0.0084 -0.0397 -0.0845 17 HIS A CA +43 C C . HIS A 16 ? 1.4428 1.2503 1.2761 0.0082 -0.0330 -0.0822 17 HIS A C +44 O O . HIS A 16 ? 1.5064 1.3257 1.3765 0.0019 -0.0406 -0.0694 17 HIS A O +45 C CB . HIS A 16 ? 1.5310 1.3263 1.3262 0.0086 -0.0573 -0.0967 17 HIS A CB +46 C CG . HIS A 16 ? 1.6523 1.4237 1.4310 0.0160 -0.0568 -0.1186 17 HIS A CG +47 N ND1 . HIS A 16 ? 1.7104 1.4747 1.5109 0.0191 -0.0474 -0.1249 17 HIS A ND1 +48 C CD2 . HIS A 16 ? 1.7579 1.5088 1.4982 0.0216 -0.0645 -0.1361 17 HIS A CD2 +49 C CE1 . HIS A 16 ? 1.8257 1.5658 1.6005 0.0267 -0.0472 -0.1465 17 HIS A CE1 +50 N NE2 . HIS A 16 ? 1.8590 1.5895 1.5937 0.0284 -0.0587 -0.1539 17 HIS A NE2 +51 N N . LYS A 17 ? 1.3783 1.1735 1.2058 0.0149 -0.0188 -0.0928 18 LYS A N +52 C CA . LYS A 17 ? 1.3114 1.1079 1.1807 0.0149 -0.0117 -0.0896 18 LYS A CA +53 C C . LYS A 17 ? 1.2605 1.0765 1.1510 0.0088 -0.0099 -0.0678 18 LYS A C +54 O O . LYS A 17 ? 1.2251 1.0525 1.1446 0.0019 -0.0216 -0.0545 18 LYS A O +55 C CB . LYS A 17 ? 1.3130 1.0932 1.1727 0.0240 0.0074 -0.1037 18 LYS A CB +56 N N . ASP A 18 ? 1.2437 1.0622 1.1177 0.0114 0.0032 -0.0641 19 ASP A N +57 C CA . ASP A 18 ? 1.2081 1.0412 1.1026 0.0069 0.0047 -0.0459 19 ASP A CA +58 C C . ASP A 18 ? 1.1116 0.9582 0.9932 0.0000 -0.0075 -0.0325 19 ASP A C +59 O O . ASP A 18 ? 1.0581 0.9153 0.9601 -0.0051 -0.0127 -0.0169 19 ASP A O +60 C CB . ASP A 18 ? 1.2767 1.1070 1.1612 0.0121 0.0223 -0.0468 19 ASP A CB +61 C CG . ASP A 18 ? 1.3514 1.1682 1.2513 0.0198 0.0393 -0.0581 19 ASP A CG +62 O OD1 . ASP A 18 ? 1.4060 1.2121 1.3135 0.0222 0.0372 -0.0702 19 ASP A OD1 +63 O OD2 . ASP A 18 ? 1.3726 1.1889 1.2788 0.0236 0.0554 -0.0549 19 ASP A OD2 +64 N N . PHE A 19 ? 1.0716 0.9167 0.9216 0.0002 -0.0124 -0.0381 20 PHE A N +65 C CA . PHE A 19 ? 1.0102 0.8663 0.8438 -0.0046 -0.0202 -0.0277 20 PHE A CA +66 C C . PHE A 19 ? 0.9827 0.8383 0.8157 -0.0068 -0.0315 -0.0305 20 PHE A C +67 O O . PHE A 19 ? 0.9834 0.8340 0.7910 -0.0046 -0.0337 -0.0389 20 PHE A O +68 C CB . PHE A 19 ? 1.0013 0.8566 0.7996 -0.0014 -0.0126 -0.0305 20 PHE A CB +69 C CG . PHE A 19 ? 0.9905 0.8485 0.7937 -0.0002 -0.0024 -0.0248 20 PHE A CG +70 C CD1 . PHE A 19 ? 1.0095 0.8582 0.8157 0.0059 0.0112 -0.0326 20 PHE A CD1 +71 C CD2 . PHE A 19 ? 0.9983 0.8670 0.8055 -0.0049 -0.0067 -0.0115 20 PHE A CD2 +72 C CE1 . PHE A 19 ? 1.0316 0.8835 0.8515 0.0069 0.0206 -0.0257 20 PHE A CE1 +73 C CE2 . PHE A 19 ? 0.9999 0.8704 0.8178 -0.0041 -0.0004 -0.0062 20 PHE A CE2 +74 C CZ . PHE A 19 ? 1.0444 0.9074 0.8718 0.0015 0.0132 -0.0126 20 PHE A CZ +75 N N . PRO A 20 ? 0.9711 0.8317 0.8350 -0.0115 -0.0398 -0.0220 21 PRO A N +76 C CA . PRO A 20 ? 0.9982 0.8582 0.8713 -0.0135 -0.0503 -0.0238 21 PRO A CA +77 C C . PRO A 20 ? 1.0233 0.8926 0.8826 -0.0167 -0.0535 -0.0147 21 PRO A C +78 O O . PRO A 20 ? 1.0496 0.9186 0.9214 -0.0183 -0.0619 -0.0156 21 PRO A O +79 C CB . PRO A 20 ? 0.9937 0.8566 0.9092 -0.0172 -0.0556 -0.0150 21 PRO A CB +80 C CG . PRO A 20 ? 0.9868 0.8555 0.9108 -0.0188 -0.0501 -0.0030 21 PRO A CG +81 C CD . PRO A 20 ? 0.9782 0.8440 0.8735 -0.0146 -0.0402 -0.0102 21 PRO A CD +82 N N . ILE A 21 ? 0.9900 0.8664 0.8274 -0.0174 -0.0472 -0.0068 22 ILE A N +83 C CA . ILE A 21 ? 0.9464 0.8292 0.7661 -0.0189 -0.0476 -0.0018 22 ILE A CA +84 C C . ILE A 21 ? 0.9560 0.8305 0.7583 -0.0151 -0.0514 -0.0163 22 ILE A C +85 O O . ILE A 21 ? 0.9413 0.8192 0.7421 -0.0164 -0.0559 -0.0141 22 ILE A O +86 C CB . ILE A 21 ? 0.9564 0.8456 0.7547 -0.0196 -0.0406 0.0063 22 ILE A CB +87 C CG1 . ILE A 21 ? 0.9271 0.8230 0.7125 -0.0212 -0.0395 0.0130 22 ILE A CG1 +88 C CG2 . ILE A 21 ? 0.9999 0.8834 0.7773 -0.0152 -0.0344 -0.0032 22 ILE A CG2 +89 C CD1 . ILE A 21 ? 0.9211 0.8229 0.7261 -0.0249 -0.0409 0.0258 22 ILE A CD1 +90 N N . ALA A 22 ? 0.9712 0.8337 0.7620 -0.0104 -0.0499 -0.0304 23 ALA A N +91 C CA . ALA A 22 ? 0.9929 0.8432 0.7573 -0.0056 -0.0539 -0.0449 23 ALA A CA +92 C C . ALA A 22 ? 1.0216 0.8676 0.8000 -0.0071 -0.0694 -0.0498 23 ALA A C +93 O O . ALA A 22 ? 1.0186 0.8584 0.7764 -0.0051 -0.0766 -0.0564 23 ALA A O +94 C CB . ALA A 22 ? 0.9930 0.8292 0.7442 0.0001 -0.0471 -0.0579 23 ALA A CB +95 N N . LYS A 23 ? 1.0597 0.9088 0.8752 -0.0107 -0.0758 -0.0455 24 LYS A N +96 C CA . LYS A 23 ? 1.0819 0.9280 0.9211 -0.0127 -0.0915 -0.0482 24 LYS A CA +97 C C . LYS A 23 ? 1.0830 0.9456 0.9425 -0.0178 -0.0899 -0.0301 24 LYS A C +98 O O . LYS A 23 ? 1.1535 1.0182 1.0473 -0.0208 -0.0994 -0.0260 24 LYS A O +99 C CB . LYS A 23 ? 1.0657 0.9044 0.9380 -0.0132 -0.0989 -0.0542 24 LYS A CB +100 N N . GLY A 24 ? 1.0634 0.9361 0.9037 -0.0185 -0.0777 -0.0199 25 GLY A N +101 C CA . GLY A 24 ? 1.0463 0.9330 0.8999 -0.0223 -0.0716 -0.0026 25 GLY A CA +102 C C . GLY A 24 ? 1.0235 0.9121 0.8826 -0.0226 -0.0777 -0.0023 25 GLY A C +103 O O . GLY A 24 ? 1.0110 0.8894 0.8587 -0.0200 -0.0892 -0.0157 25 GLY A O +104 N N . GLU A 25 ? 0.9889 0.8889 0.8638 -0.0253 -0.0698 0.0128 26 GLU A N +105 C CA . GLU A 25 ? 1.0156 0.9194 0.9108 -0.0261 -0.0740 0.0167 26 GLU A CA +106 C C . GLU A 25 ? 1.0054 0.9116 0.8714 -0.0240 -0.0684 0.0152 26 GLU A C +107 O O . GLU A 25 ? 0.9847 0.8937 0.8690 -0.0244 -0.0722 0.0180 26 GLU A O +108 C CB . GLU A 25 ? 1.0317 0.9456 0.9644 -0.0294 -0.0655 0.0347 26 GLU A CB +109 C CG . GLU A 25 ? 1.0417 0.9528 1.0204 -0.0316 -0.0777 0.0352 26 GLU A CG +110 N N . ARG A 26 ? 0.9911 0.8955 0.8189 -0.0219 -0.0610 0.0110 27 ARG A N +111 C CA . ARG A 26 ? 0.9638 0.8705 0.7638 -0.0200 -0.0542 0.0104 27 ARG A CA +112 C C . ARG A 26 ? 0.9163 0.8145 0.6814 -0.0167 -0.0559 -0.0009 27 ARG A C +113 O O . ARG A 26 ? 0.8915 0.7925 0.6348 -0.0156 -0.0465 0.0009 27 ARG A O +114 C CB . ARG A 26 ? 1.0043 0.9189 0.7950 -0.0210 -0.0383 0.0216 27 ARG A CB +115 C CG . ARG A 26 ? 1.0826 1.0051 0.8935 -0.0222 -0.0296 0.0333 27 ARG A CG +116 C CD . ARG A 26 ? 1.1770 1.1026 0.9650 -0.0218 -0.0147 0.0406 27 ARG A CD +117 N NE . ARG A 26 ? 1.2493 1.1772 1.0472 -0.0237 -0.0069 0.0530 27 ARG A NE +118 C CZ . ARG A 26 ? 1.3338 1.2601 1.1079 -0.0239 0.0000 0.0585 27 ARG A CZ +119 N NH1 . ARG A 26 ? 1.3392 1.2620 1.0824 -0.0226 -0.0001 0.0518 27 ARG A NH1 +120 N NH2 . ARG A 26 ? 1.4059 1.3330 1.1882 -0.0254 0.0061 0.0715 27 ARG A NH2 +121 N N . GLN A 27 ? 0.9166 0.8037 0.6756 -0.0146 -0.0666 -0.0125 28 GLN A N +122 C CA . GLN A 27 ? 0.9039 0.7822 0.6295 -0.0106 -0.0635 -0.0216 28 GLN A CA +123 C C . GLN A 27 ? 0.8842 0.7581 0.5868 -0.0078 -0.0672 -0.0253 28 GLN A C +124 O O . GLN A 27 ? 0.8702 0.7452 0.5862 -0.0089 -0.0766 -0.0237 28 GLN A O +125 C CB . GLN A 27 ? 0.9237 0.7901 0.6500 -0.0087 -0.0697 -0.0322 28 GLN A CB +126 C CG . GLN A 27 ? 0.9264 0.7980 0.6741 -0.0112 -0.0636 -0.0267 28 GLN A CG +127 C CD . GLN A 27 ? 0.9440 0.8189 0.6767 -0.0103 -0.0504 -0.0230 28 GLN A CD +128 O OE1 . GLN A 27 ? 0.9910 0.8582 0.7010 -0.0062 -0.0457 -0.0304 28 GLN A OE1 +129 N NE2 . GLN A 27 ? 0.9076 0.7929 0.6533 -0.0140 -0.0448 -0.0108 28 GLN A NE2 +130 N N . SER A 28 ? 0.9169 0.7865 0.5901 -0.0043 -0.0594 -0.0283 29 SER A N +131 C CA . SER A 28 ? 0.9420 0.8071 0.5902 -0.0012 -0.0605 -0.0296 29 SER A CA +132 C C . SER A 28 ? 0.9331 0.7832 0.5487 0.0042 -0.0585 -0.0387 29 SER A C +133 O O . SER A 28 ? 0.9032 0.7506 0.5169 0.0055 -0.0496 -0.0415 29 SER A O +134 C CB . SER A 28 ? 0.9371 0.8134 0.5846 -0.0023 -0.0486 -0.0208 29 SER A CB +135 O OG . SER A 28 ? 0.9321 0.8199 0.6049 -0.0064 -0.0471 -0.0130 29 SER A OG +136 N N . PRO A 29 ? 0.9660 0.8048 0.5542 0.0081 -0.0651 -0.0426 30 PRO A N +137 C CA . PRO A 29 ? 0.9616 0.8032 0.5522 0.0070 -0.0754 -0.0379 30 PRO A CA +138 C C . PRO A 29 ? 0.9754 0.8117 0.5825 0.0051 -0.0963 -0.0421 30 PRO A C +139 O O . PRO A 29 ? 1.0027 0.8314 0.6140 0.0053 -0.1022 -0.0499 30 PRO A O +140 C CB . PRO A 29 ? 0.9726 0.8003 0.5228 0.0126 -0.0751 -0.0403 30 PRO A CB +141 C CG . PRO A 29 ? 1.0031 0.8139 0.5301 0.0169 -0.0751 -0.0518 30 PRO A CG +142 C CD . PRO A 29 ? 0.9841 0.8049 0.5352 0.0145 -0.0621 -0.0512 30 PRO A CD +143 N N . VAL A 30 ? 1.0162 0.8556 0.6342 0.0037 -0.1071 -0.0371 31 VAL A N +144 C CA . VAL A 30 ? 1.0881 0.9227 0.7295 0.0017 -0.1297 -0.0397 31 VAL A CA +145 C C . VAL A 30 ? 1.1541 0.9768 0.7739 0.0043 -0.1463 -0.0404 31 VAL A C +146 O O . VAL A 30 ? 1.1966 1.0208 0.7943 0.0066 -0.1369 -0.0350 31 VAL A O +147 C CB . VAL A 30 ? 1.0531 0.9055 0.7454 -0.0036 -0.1272 -0.0299 31 VAL A CB +148 C CG1 . VAL A 30 ? 1.0303 0.8909 0.7404 -0.0060 -0.1144 -0.0286 31 VAL A CG1 +149 C CG2 . VAL A 30 ? 1.0438 0.9097 0.7455 -0.0045 -0.1156 -0.0191 31 VAL A CG2 +150 N N . ASP A 31 ? 1.2162 1.0259 0.8420 0.0042 -0.1717 -0.0467 32 ASP A N +151 C CA . ASP A 31 ? 1.2853 1.0846 0.9003 0.0056 -0.1927 -0.0450 32 ASP A CA +152 C C . ASP A 31 ? 1.2541 1.0725 0.9206 0.0010 -0.1928 -0.0322 32 ASP A C +153 O O . ASP A 31 ? 1.2093 1.0424 0.9201 -0.0030 -0.1851 -0.0283 32 ASP A O +154 C CB . ASP A 31 ? 1.3864 1.1624 0.9882 0.0072 -0.2229 -0.0573 32 ASP A CB +155 C CG . ASP A 31 ? 1.4710 1.2326 1.0528 0.0092 -0.2470 -0.0555 32 ASP A CG +156 O OD1 . ASP A 31 ? 1.4994 1.2531 1.0342 0.0137 -0.2393 -0.0530 32 ASP A OD1 +157 O OD2 . ASP A 31 ? 1.5409 1.2999 1.1583 0.0060 -0.2732 -0.0548 32 ASP A OD2 +158 N N . ILE A 32 ? 1.2552 1.0729 0.9159 0.0020 -0.1992 -0.0253 33 ILE A N +159 C CA . ILE A 32 ? 1.2205 1.0548 0.9298 -0.0012 -0.1978 -0.0132 33 ILE A CA +160 C C . ILE A 32 ? 1.2992 1.1222 1.0240 -0.0017 -0.2298 -0.0121 33 ILE A C +161 O O . ILE A 32 ? 1.3225 1.1401 1.0293 0.0002 -0.2372 -0.0070 33 ILE A O +162 C CB . ILE A 32 ? 1.1758 1.0206 0.8727 0.0001 -0.1764 -0.0050 33 ILE A CB +163 C CG1 . ILE A 32 ? 1.1448 0.9954 0.8175 0.0013 -0.1500 -0.0076 33 ILE A CG1 +164 C CG2 . ILE A 32 ? 1.1356 0.9976 0.8849 -0.0028 -0.1704 0.0055 33 ILE A CG2 +165 C CD1 . ILE A 32 ? 1.1284 0.9878 0.7913 0.0026 -0.1310 -0.0006 33 ILE A CD1 +166 N N . ASP A 33 ? 1.3755 1.1945 1.1345 -0.0045 -0.2495 -0.0163 34 ASP A N +167 C CA . ASP A 33 ? 1.4263 1.2373 1.2191 -0.0063 -0.2825 -0.0138 34 ASP A CA +168 C C . ASP A 33 ? 1.4123 1.2438 1.2609 -0.0089 -0.2722 0.0010 34 ASP A C +169 O O . ASP A 33 ? 1.3828 1.2327 1.2806 -0.0119 -0.2532 0.0070 34 ASP A O +170 C CB . ASP A 33 ? 1.4328 1.2352 1.2547 -0.0087 -0.3043 -0.0222 34 ASP A CB +171 C CG . ASP A 33 ? 1.4203 1.2295 1.3167 -0.0131 -0.3242 -0.0138 34 ASP A CG +172 O OD1 . ASP A 33 ? 1.4359 1.2353 1.3370 -0.0128 -0.3505 -0.0106 34 ASP A OD1 +173 O OD2 . ASP A 33 ? 1.3615 1.1861 1.3129 -0.0165 -0.3120 -0.0089 34 ASP A OD2 +174 N N . THR A 34 ? 1.3827 1.2098 1.2221 -0.0074 -0.2829 0.0073 35 THR A N +175 C CA . THR A 34 ? 1.3714 1.2158 1.2527 -0.0085 -0.2700 0.0207 35 THR A CA +176 C C . THR A 34 ? 1.4131 1.2668 1.3744 -0.0124 -0.2817 0.0282 35 THR A C +177 O O . THR A 34 ? 1.3624 1.2340 1.3679 -0.0132 -0.2609 0.0384 35 THR A O +178 C CB . THR A 34 ? 1.3766 1.2104 1.2239 -0.0056 -0.2825 0.0251 35 THR A CB +179 O OG1 . THR A 34 ? 1.3871 1.1980 1.2162 -0.0050 -0.3211 0.0197 35 THR A OG1 +180 C CG2 . THR A 34 ? 1.3647 1.1959 1.1487 -0.0017 -0.2605 0.0224 35 THR A CG2 +181 N N . HIS A 35 ? 1.5001 1.3415 1.4819 -0.0143 -0.3129 0.0234 36 HIS A N +182 C CA . HIS A 35 ? 1.5334 1.3825 1.5995 -0.0182 -0.3272 0.0312 36 HIS A CA +183 C C . HIS A 35 ? 1.4468 1.3170 1.5584 -0.0202 -0.2936 0.0364 36 HIS A C +184 O O . HIS A 35 ? 1.4009 1.2863 1.5785 -0.0216 -0.2823 0.0486 36 HIS A O +185 C CB . HIS A 35 ? 1.6127 1.4412 1.6878 -0.0199 -0.3707 0.0232 36 HIS A CB +186 C CG . HIS A 35 ? 1.7107 1.5159 1.7432 -0.0178 -0.4070 0.0195 36 HIS A CG +187 N ND1 . HIS A 35 ? 1.8069 1.5865 1.7646 -0.0147 -0.4260 0.0047 36 HIS A ND1 +188 C CD2 . HIS A 35 ? 1.7256 1.5274 1.7765 -0.0179 -0.4272 0.0291 36 HIS A CD2 +189 C CE1 . HIS A 35 ? 1.8545 1.6150 1.7819 -0.0128 -0.4565 0.0057 36 HIS A CE1 +190 N NE2 . HIS A 35 ? 1.8291 1.6032 1.8141 -0.0150 -0.4590 0.0211 36 HIS A NE2 +191 N N . THR A 36 ? 1.3897 1.2596 1.4677 -0.0198 -0.2779 0.0283 37 THR A N +192 C CA . THR A 36 ? 1.3048 1.1912 1.4185 -0.0216 -0.2492 0.0332 37 THR A CA +193 C C . THR A 36 ? 1.2908 1.1921 1.3843 -0.0195 -0.2098 0.0387 37 THR A C +194 O O . THR A 36 ? 1.2822 1.1983 1.4128 -0.0203 -0.1838 0.0471 37 THR A O +195 C CB . THR A 36 ? 1.2217 1.0993 1.3111 -0.0223 -0.2541 0.0224 37 THR A CB +196 N N . ALA A 37 ? 1.2903 1.1865 1.3270 -0.0166 -0.2057 0.0344 38 ALA A N +197 C CA . ALA A 37 ? 1.2474 1.1544 1.2572 -0.0145 -0.1719 0.0367 38 ALA A CA +198 C C . ALA A 37 ? 1.1782 1.0982 1.2354 -0.0141 -0.1568 0.0478 38 ALA A C +199 O O . ALA A 37 ? 1.1708 1.0887 1.2186 -0.0124 -0.1616 0.0496 38 ALA A O +200 C CB . ALA A 37 ? 1.2779 1.1746 1.2217 -0.0117 -0.1750 0.0298 38 ALA A CB +201 N N . LYS A 38 ? 1.1129 1.0449 1.2201 -0.0152 -0.1382 0.0555 39 LYS A N +202 C CA . LYS A 38 ? 1.0948 1.0375 1.2614 -0.0146 -0.1263 0.0665 39 LYS A CA +203 C C . LYS A 38 ? 1.0744 1.0233 1.2138 -0.0112 -0.0962 0.0666 39 LYS A C +204 O O . LYS A 38 ? 1.0687 1.0191 1.1679 -0.0102 -0.0749 0.0624 39 LYS A O +205 C CB . LYS A 38 ? 1.0856 1.0372 1.3173 -0.0162 -0.1160 0.0758 39 LYS A CB +206 C CG . LYS A 38 ? 1.0611 1.0111 1.3618 -0.0188 -0.1444 0.0823 39 LYS A CG +207 N N . TYR A 39 ? 1.0508 1.0018 1.2125 -0.0096 -0.0972 0.0709 40 TYR A N +208 C CA . TYR A 39 ? 1.0334 0.9889 1.1787 -0.0062 -0.0720 0.0704 40 TYR A CA +209 C C . TYR A 39 ? 1.0385 1.0032 1.2038 -0.0042 -0.0357 0.0742 40 TYR A C +210 O O . TYR A 39 ? 1.0528 1.0239 1.2789 -0.0040 -0.0283 0.0831 40 TYR A O +211 C CB . TYR A 39 ? 1.0521 1.0083 1.2344 -0.0052 -0.0829 0.0762 40 TYR A CB +212 C CG . TYR A 39 ? 1.0827 1.0455 1.2753 -0.0015 -0.0531 0.0775 40 TYR A CG +213 C CD1 . TYR A 39 ? 1.1126 1.0724 1.2534 0.0006 -0.0422 0.0704 40 TYR A CD1 +214 C CD2 . TYR A 39 ? 1.0860 1.0571 1.3417 0.0002 -0.0347 0.0854 40 TYR A CD2 +215 C CE1 . TYR A 39 ? 1.1082 1.0718 1.2572 0.0043 -0.0164 0.0695 40 TYR A CE1 +216 C CE2 . TYR A 39 ? 1.1014 1.0761 1.3639 0.0045 -0.0061 0.0846 40 TYR A CE2 +217 C CZ . TYR A 39 ? 1.0985 1.0688 1.3061 0.0065 0.0019 0.0758 40 TYR A CZ +218 O OH . TYR A 39 ? 1.0973 1.0691 1.3108 0.0109 0.0288 0.0732 40 TYR A OH +219 N N . ASP A 40 ? 1.0738 1.0377 1.1894 -0.0025 -0.0141 0.0681 41 ASP A N +220 C CA . ASP A 40 ? 1.1195 1.0882 1.2383 0.0004 0.0215 0.0705 41 ASP A CA +221 C C . ASP A 40 ? 1.1376 1.1058 1.2480 0.0045 0.0395 0.0671 41 ASP A C +222 O O . ASP A 40 ? 1.1859 1.1493 1.2518 0.0051 0.0353 0.0591 41 ASP A O +223 C CB . ASP A 40 ? 1.1427 1.1083 1.2115 -0.0004 0.0296 0.0659 41 ASP A CB +224 C CG . ASP A 40 ? 1.1415 1.1084 1.2002 0.0027 0.0639 0.0683 41 ASP A CG +225 O OD1 . ASP A 40 ? 1.1761 1.1448 1.2572 0.0067 0.0849 0.0708 41 ASP A OD1 +226 O OD2 . ASP A 40 ? 1.0634 1.0280 1.0902 0.0016 0.0693 0.0676 41 ASP A OD2 +227 N N . PRO A 41 ? 1.1645 1.1373 1.3196 0.0080 0.0618 0.0728 42 PRO A N +228 C CA . PRO A 41 ? 1.1646 1.1354 1.3135 0.0124 0.0791 0.0679 42 PRO A CA +229 C C . PRO A 41 ? 1.1479 1.1139 1.2554 0.0165 0.1110 0.0618 42 PRO A C +230 O O . PRO A 41 ? 1.1651 1.1275 1.2667 0.0207 0.1268 0.0560 42 PRO A O +231 C CB . PRO A 41 ? 1.1729 1.1502 1.3975 0.0143 0.0868 0.0777 42 PRO A CB +232 C CG . PRO A 41 ? 1.1982 1.1800 1.4524 0.0134 0.0976 0.0869 42 PRO A CG +233 C CD . PRO A 41 ? 1.1892 1.1686 1.4059 0.0083 0.0732 0.0842 42 PRO A CD +234 N N . SER A 42 ? 1.0939 1.0585 1.1748 0.0156 0.1195 0.0631 43 SER A N +235 C CA . SER A 42 ? 1.1112 1.0682 1.1428 0.0193 0.1456 0.0573 43 SER A CA +236 C C . SER A 42 ? 1.1104 1.0605 1.0810 0.0177 0.1311 0.0456 43 SER A C +237 O O . SER A 42 ? 1.1410 1.0823 1.0699 0.0209 0.1465 0.0377 43 SER A O +238 C CB . SER A 42 ? 1.1019 1.0595 1.1314 0.0192 0.1607 0.0655 43 SER A CB +239 O OG . SER A 42 ? 1.1288 1.0831 1.1108 0.0155 0.1463 0.0620 43 SER A OG +240 N N . LEU A 43 ? 1.0996 1.0520 1.0655 0.0131 0.1021 0.0446 44 LEU A N +241 C CA . LEU A 43 ? 1.0666 1.0135 0.9853 0.0117 0.0878 0.0353 44 LEU A CA +242 C C . LEU A 43 ? 1.0742 1.0171 0.9898 0.0154 0.0964 0.0284 44 LEU A C +243 O O . LEU A 43 ? 1.0802 1.0269 1.0316 0.0157 0.0881 0.0314 44 LEU A O +244 C CB . LEU A 43 ? 1.0216 0.9709 0.9458 0.0077 0.0583 0.0371 44 LEU A CB +245 C CG . LEU A 43 ? 0.9749 0.9254 0.8938 0.0039 0.0451 0.0402 44 LEU A CG +246 C CD1 . LEU A 43 ? 0.9739 0.9228 0.8920 0.0013 0.0168 0.0398 44 LEU A CD1 +247 C CD2 . LEU A 43 ? 0.9526 0.8987 0.8257 0.0033 0.0519 0.0357 44 LEU A CD2 +248 N N . LYS A 44 ? 1.0806 1.0152 0.9569 0.0181 0.1105 0.0198 45 LYS A N +249 C CA . LYS A 44 ? 1.0620 0.9904 0.9281 0.0211 0.1140 0.0105 45 LYS A CA +250 C C . LYS A 44 ? 1.0486 0.9792 0.9096 0.0177 0.0891 0.0102 45 LYS A C +251 O O . LYS A 44 ? 1.0146 0.9492 0.8725 0.0139 0.0724 0.0153 45 LYS A O +252 C CB . LYS A 44 ? 1.0566 0.9729 0.8767 0.0242 0.1290 0.0004 45 LYS A CB +253 N N . PRO A 45 ? 1.0852 1.0126 0.9485 0.0194 0.0866 0.0050 46 PRO A N +254 C CA . PRO A 45 ? 1.0427 0.9716 0.9021 0.0169 0.0657 0.0070 46 PRO A CA +255 C C . PRO A 45 ? 1.0153 0.9377 0.8316 0.0158 0.0617 0.0000 46 PRO A C +256 O O . PRO A 45 ? 1.0792 0.9951 0.8713 0.0173 0.0734 -0.0074 46 PRO A O +257 C CB . PRO A 45 ? 1.0707 0.9993 0.9603 0.0196 0.0677 0.0063 46 PRO A CB +258 C CG . PRO A 45 ? 1.1167 1.0389 1.0053 0.0242 0.0917 -0.0030 46 PRO A CG +259 C CD . PRO A 45 ? 1.1147 1.0361 0.9860 0.0243 0.1045 -0.0026 46 PRO A CD +260 N N . LEU A 46 ? 0.9627 0.8861 0.7718 0.0138 0.0458 0.0031 47 LEU A N +261 C CA . LEU A 46 ? 0.9474 0.8670 0.7222 0.0118 0.0391 0.0002 47 LEU A CA +262 C C . LEU A 46 ? 0.9304 0.8441 0.6994 0.0134 0.0406 -0.0062 47 LEU A C +263 O O . LEU A 46 ? 0.9332 0.8483 0.7196 0.0140 0.0346 -0.0022 47 LEU A O +264 C CB . LEU A 46 ? 0.9552 0.8780 0.7276 0.0096 0.0234 0.0082 47 LEU A CB +265 C CG . LEU A 46 ? 0.9787 0.8990 0.7210 0.0077 0.0180 0.0073 47 LEU A CG +266 C CD1 . LEU A 46 ? 0.9889 0.9087 0.7172 0.0065 0.0246 0.0037 47 LEU A CD1 +267 C CD2 . LEU A 46 ? 0.9850 0.9062 0.7233 0.0067 0.0048 0.0142 47 LEU A CD2 +268 N N . SER A 47 ? 0.9184 0.8246 0.6643 0.0139 0.0466 -0.0153 48 SER A N +269 C CA . SER A 47 ? 0.8784 0.7769 0.6195 0.0151 0.0451 -0.0230 48 SER A CA +270 C C . SER A 47 ? 0.8494 0.7465 0.5725 0.0124 0.0345 -0.0218 48 SER A C +271 O O . SER A 47 ? 0.8308 0.7282 0.5342 0.0104 0.0328 -0.0206 48 SER A O +272 C CB . SER A 47 ? 0.9022 0.7904 0.6308 0.0181 0.0565 -0.0350 48 SER A CB +273 O OG . SER A 47 ? 0.9499 0.8280 0.6601 0.0179 0.0501 -0.0436 48 SER A OG +274 N N . VAL A 48 ? 0.8512 0.7468 0.5856 0.0125 0.0284 -0.0210 49 VAL A N +275 C CA . VAL A 48 ? 0.8461 0.7415 0.5749 0.0105 0.0199 -0.0168 49 VAL A CA +276 C C . VAL A 48 ? 0.8799 0.7681 0.6201 0.0113 0.0166 -0.0229 49 VAL A C +277 O O . VAL A 48 ? 0.9094 0.7992 0.6737 0.0126 0.0161 -0.0191 49 VAL A O +278 C CB . VAL A 48 ? 0.8189 0.7215 0.5572 0.0102 0.0162 -0.0039 49 VAL A CB +279 C CG1 . VAL A 48 ? 0.8401 0.7417 0.5735 0.0092 0.0121 0.0006 49 VAL A CG1 +280 C CG2 . VAL A 48 ? 0.8133 0.7211 0.5427 0.0094 0.0159 0.0007 49 VAL A CG2 +281 N N . SER A 49 ? 0.9338 0.8135 0.6591 0.0105 0.0127 -0.0318 50 SER A N +282 C CA . SER A 49 ? 0.9670 0.8377 0.7051 0.0110 0.0063 -0.0392 50 SER A CA +283 C C . SER A 49 ? 0.9641 0.8360 0.7098 0.0086 -0.0021 -0.0327 50 SER A C +284 O O . SER A 49 ? 0.9562 0.8227 0.6857 0.0068 -0.0083 -0.0367 50 SER A O +285 C CB . SER A 49 ? 1.0120 0.8688 0.7287 0.0124 0.0059 -0.0549 50 SER A CB +286 O OG . SER A 49 ? 1.0497 0.8967 0.7834 0.0140 0.0006 -0.0642 50 SER A OG +287 N N . TYR A 50 ? 0.9831 0.8615 0.7535 0.0088 -0.0014 -0.0214 51 TYR A N +288 C CA . TYR A 50 ? 0.9852 0.8668 0.7656 0.0073 -0.0040 -0.0112 51 TYR A CA +289 C C . TYR A 50 ? 1.0209 0.8986 0.8350 0.0075 -0.0090 -0.0100 51 TYR A C +290 O O . TYR A 50 ? 0.9943 0.8747 0.8253 0.0070 -0.0087 0.0002 51 TYR A O +291 C CB . TYR A 50 ? 0.9371 0.8279 0.7144 0.0083 0.0033 0.0026 51 TYR A CB +292 C CG . TYR A 50 ? 0.9400 0.8342 0.6896 0.0075 0.0056 0.0034 51 TYR A CG +293 C CD1 . TYR A 50 ? 0.9417 0.8329 0.6710 0.0059 0.0033 -0.0058 51 TYR A CD1 +294 C CD2 . TYR A 50 ? 0.9594 0.8585 0.7025 0.0086 0.0098 0.0142 51 TYR A CD2 +295 C CE1 . TYR A 50 ? 0.9559 0.8508 0.6654 0.0050 0.0052 -0.0036 51 TYR A CE1 +296 C CE2 . TYR A 50 ? 0.9531 0.8542 0.6736 0.0079 0.0105 0.0144 51 TYR A CE2 +297 C CZ . TYR A 50 ? 0.9606 0.8605 0.6674 0.0059 0.0083 0.0057 51 TYR A CZ +298 O OH . TYR A 50 ? 0.9338 0.8360 0.6235 0.0053 0.0088 0.0072 51 TYR A OH +299 N N . ASP A 51 ? 1.1081 0.9786 0.9333 0.0086 -0.0128 -0.0205 52 ASP A N +300 C CA . ASP A 51 ? 1.1747 1.0412 1.0380 0.0092 -0.0176 -0.0201 52 ASP A CA +301 C C . ASP A 51 ? 1.1774 1.0374 1.0556 0.0070 -0.0291 -0.0224 52 ASP A C +302 O O . ASP A 51 ? 1.1978 1.0575 1.1154 0.0070 -0.0323 -0.0162 52 ASP A O +303 C CB . ASP A 51 ? 1.2760 1.1346 1.1427 0.0113 -0.0187 -0.0342 52 ASP A CB +304 C CG . ASP A 51 ? 1.3668 1.2248 1.2761 0.0128 -0.0195 -0.0307 52 ASP A CG +305 O OD1 . ASP A 51 ? 1.3511 1.2085 1.2917 0.0117 -0.0254 -0.0241 52 ASP A OD1 +306 O OD2 . ASP A 51 ? 1.4042 1.2623 1.3196 0.0152 -0.0139 -0.0342 52 ASP A OD2 +307 N N . GLN A 52 ? 1.1951 1.0503 1.0470 0.0051 -0.0357 -0.0295 53 GLN A N +308 C CA . GLN A 52 ? 1.1997 1.0472 1.0656 0.0026 -0.0501 -0.0324 53 GLN A CA +309 C C . GLN A 52 ? 1.1392 0.9937 0.9945 0.0007 -0.0472 -0.0227 53 GLN A C +310 O O . GLN A 52 ? 1.0766 0.9246 0.9356 -0.0015 -0.0598 -0.0259 53 GLN A O +311 C CB . GLN A 52 ? 1.2743 1.1049 1.1173 0.0022 -0.0648 -0.0523 53 GLN A CB +312 C CG . GLN A 52 ? 1.3435 1.1647 1.1963 0.0047 -0.0670 -0.0644 53 GLN A CG +313 C CD . GLN A 52 ? 1.4352 1.2443 1.2422 0.0068 -0.0666 -0.0814 53 GLN A CD +314 O OE1 . GLN A 52 ? 1.5600 1.3506 1.3518 0.0071 -0.0811 -0.0975 53 GLN A OE1 +315 N NE2 . GLN A 52 ? 1.4380 1.2562 1.2217 0.0084 -0.0502 -0.0775 53 GLN A NE2 +316 N N . ALA A 53 ? 1.1263 0.9922 0.9694 0.0020 -0.0322 -0.0116 54 ALA A N +317 C CA . ALA A 53 ? 1.1232 0.9957 0.9597 0.0012 -0.0265 -0.0018 54 ALA A CA +318 C C . ALA A 53 ? 1.1081 0.9806 0.9855 0.0004 -0.0292 0.0070 54 ALA A C +319 O O . ALA A 53 ? 1.1866 1.0611 1.0965 0.0019 -0.0247 0.0150 54 ALA A O +320 C CB . ALA A 53 ? 1.1265 1.0085 0.9486 0.0035 -0.0112 0.0082 54 ALA A CB +321 N N . THR A 54 ? 1.0500 0.9200 0.9296 -0.0018 -0.0367 0.0064 55 THR A N +322 C CA . THR A 54 ? 0.9861 0.8558 0.9100 -0.0028 -0.0404 0.0148 55 THR A CA +323 C C . THR A 54 ? 0.9670 0.8439 0.8875 -0.0019 -0.0271 0.0256 55 THR A C +324 O O . THR A 54 ? 0.9596 0.8340 0.8650 -0.0042 -0.0354 0.0206 55 THR A O +325 C CB . THR A 54 ? 0.9801 0.8381 0.9136 -0.0064 -0.0645 0.0036 55 THR A CB +326 O OG1 . THR A 54 ? 0.9980 0.8473 0.9413 -0.0063 -0.0757 -0.0061 55 THR A OG1 +327 C CG2 . THR A 54 ? 0.9855 0.8434 0.9659 -0.0081 -0.0706 0.0124 55 THR A CG2 +328 N N . SER A 55 ? 0.9494 0.8334 0.8810 0.0015 -0.0073 0.0395 56 SER A N +329 C CA . SER A 55 ? 0.9371 0.8253 0.8701 0.0034 0.0074 0.0496 56 SER A CA +330 C C . SER A 55 ? 0.9338 0.8202 0.9153 0.0018 0.0016 0.0546 56 SER A C +331 O O . SER A 55 ? 0.9710 0.8541 0.9904 0.0001 -0.0096 0.0545 56 SER A O +332 C CB . SER A 55 ? 0.9438 0.8362 0.8716 0.0084 0.0299 0.0628 56 SER A CB +333 O OG . SER A 55 ? 0.9902 0.8832 0.9611 0.0101 0.0364 0.0744 56 SER A OG +334 N N . LEU A 56 ? 0.9364 0.8245 0.9197 0.0022 0.0081 0.0585 57 LEU A N +335 C CA . LEU A 56 ? 0.9482 0.8349 0.9812 0.0004 0.0020 0.0637 57 LEU A CA +336 C C . LEU A 56 ? 0.9671 0.8584 1.0217 0.0054 0.0293 0.0789 57 LEU A C +337 O O . LEU A 56 ? 0.9923 0.8847 1.0968 0.0072 0.0382 0.0911 57 LEU A O +338 C CB . LEU A 56 ? 0.9454 0.8283 0.9612 -0.0036 -0.0166 0.0536 57 LEU A CB +339 C CG . LEU A 56 ? 0.9482 0.8231 0.9423 -0.0080 -0.0434 0.0391 57 LEU A CG +340 C CD1 . LEU A 56 ? 0.9592 0.8290 0.9417 -0.0117 -0.0611 0.0333 57 LEU A CD1 +341 C CD2 . LEU A 56 ? 0.9548 0.8238 0.9891 -0.0096 -0.0589 0.0378 57 LEU A CD2 +342 N N . ARG A 57 ? 1.0081 0.9007 1.0250 0.0080 0.0427 0.0779 58 ARG A N +343 C CA A ARG A 57 ? 1.0562 0.9499 1.0816 0.0133 0.0684 0.0882 58 ARG A CA +344 C C . ARG A 57 ? 1.0570 0.9498 1.0270 0.0182 0.0862 0.0878 58 ARG A C +345 O O . ARG A 57 ? 1.1288 1.0214 1.0569 0.0161 0.0744 0.0777 58 ARG A O +346 C CB A ARG A 57 ? 1.0366 0.9297 1.0707 0.0110 0.0615 0.0837 58 ARG A CB +347 N N . ILE A 58 ? 1.0465 0.9372 1.0164 0.0249 0.1133 0.0986 59 ILE A N +348 C CA . ILE A 58 ? 1.0582 0.9441 0.9734 0.0301 0.1288 0.0960 59 ILE A CA +349 C C . ILE A 58 ? 1.0666 0.9497 0.9957 0.0334 0.1442 0.0975 59 ILE A C +350 O O . ILE A 58 ? 1.1008 0.9845 1.0776 0.0360 0.1588 0.1090 59 ILE A O +351 C CB . ILE A 58 ? 1.1020 0.9836 0.9937 0.0367 0.1492 0.1068 59 ILE A CB +352 C CG1 . ILE A 58 ? 1.1329 1.0065 0.9639 0.0416 0.1592 0.1013 59 ILE A CG1 +353 C CG2 . ILE A 58 ? 1.1185 0.9991 1.0544 0.0419 0.1737 0.1242 59 ILE A CG2 +354 C CD1 . ILE A 58 ? 1.1585 1.0262 0.9508 0.0465 0.1684 0.1085 59 ILE A CD1 +355 N N . LEU A 59 ? 1.0822 0.9619 0.9744 0.0339 0.1426 0.0870 60 LEU A N +356 C CA . LEU A 59 ? 1.1399 1.0162 1.0476 0.0371 0.1567 0.0869 60 LEU A CA +357 C C . LEU A 59 ? 1.1787 1.0464 1.0306 0.0419 0.1665 0.0781 60 LEU A C +358 O O . LEU A 59 ? 1.2041 1.0722 1.0190 0.0383 0.1489 0.0673 60 LEU A O +359 C CB . LEU A 59 ? 1.1289 1.0111 1.0748 0.0298 0.1344 0.0819 60 LEU A CB +360 C CG . LEU A 59 ? 1.1391 1.0223 1.0509 0.0244 0.1118 0.0683 60 LEU A CG +361 C CD1 . LEU A 59 ? 1.1370 1.0171 1.0504 0.0259 0.1178 0.0637 60 LEU A CD1 +362 C CD2 . LEU A 59 ? 1.1500 1.0382 1.0828 0.0163 0.0832 0.0654 60 LEU A CD2 +363 N N . ASN A 60 ? 1.2461 1.1050 1.0929 0.0503 0.1948 0.0828 61 ASN A N +364 C CA . ASN A 60 ? 1.3171 1.1645 1.1172 0.0557 0.2053 0.0729 61 ASN A CA +365 C C . ASN A 60 ? 1.3161 1.1662 1.1429 0.0523 0.1971 0.0646 61 ASN A C +366 O O . ASN A 60 ? 1.3262 1.1781 1.2035 0.0539 0.2099 0.0716 61 ASN A O +367 C CB . ASN A 60 ? 1.3962 1.2305 1.1801 0.0669 0.2406 0.0808 61 ASN A CB +368 C CG . ASN A 60 ? 1.4448 1.2646 1.1903 0.0735 0.2536 0.0693 61 ASN A CG +369 O OD1 . ASN A 60 ? 1.4297 1.2471 1.1423 0.0704 0.2349 0.0550 61 ASN A OD1 +370 N ND2 . ASN A 60 ? 1.5396 1.3485 1.2896 0.0830 0.2869 0.0754 61 ASN A ND2 +371 N N . ASN A 61 ? 1.3306 1.1809 1.1283 0.0480 0.1769 0.0517 62 ASN A N +372 C CA . ASN A 61 ? 1.3731 1.2267 1.1936 0.0437 0.1647 0.0443 62 ASN A CA +373 C C . ASN A 61 ? 1.4221 1.2631 1.2155 0.0502 0.1795 0.0346 62 ASN A C +374 O O . ASN A 61 ? 1.4331 1.2752 1.2348 0.0468 0.1676 0.0265 62 ASN A O +375 C CB . ASN A 61 ? 1.3804 1.2418 1.1888 0.0348 0.1339 0.0375 62 ASN A CB +376 C CG . ASN A 61 ? 1.4217 1.2780 1.1735 0.0357 0.1277 0.0287 62 ASN A CG +377 O OD1 . ASN A 61 ? 1.4391 1.2927 1.1646 0.0384 0.1324 0.0318 62 ASN A OD1 +378 N ND2 . ASN A 61 ? 1.4432 1.2977 1.1797 0.0335 0.1163 0.0187 62 ASN A ND2 +379 N N . GLY A 62 ? 1.4393 1.2673 1.1993 0.0595 0.2039 0.0353 63 GLY A N +380 C CA . GLY A 62 ? 1.4532 1.2647 1.1807 0.0675 0.2206 0.0248 63 GLY A CA +381 C C . GLY A 62 ? 1.4668 1.2729 1.1475 0.0650 0.1996 0.0099 63 GLY A C +382 O O . GLY A 62 ? 1.5575 1.3535 1.2282 0.0682 0.2033 -0.0016 63 GLY A O +383 N N . HIS A 63 ? 1.4580 1.2708 1.1166 0.0593 0.1781 0.0101 64 HIS A N +384 C CA . HIS A 63 ? 1.4421 1.2493 1.0556 0.0575 0.1587 -0.0017 64 HIS A CA +385 C C . HIS A 63 ? 1.4209 1.2266 0.9990 0.0581 0.1536 0.0032 64 HIS A C +386 O O . HIS A 63 ? 1.4710 1.2640 1.0017 0.0613 0.1477 -0.0046 64 HIS A O +387 C CB . HIS A 63 ? 1.4363 1.2565 1.0739 0.0479 0.1332 -0.0061 64 HIS A CB +388 C CG . HIS A 63 ? 1.4999 1.3205 1.1708 0.0472 0.1359 -0.0103 64 HIS A CG +389 N ND1 . HIS A 63 ? 1.4981 1.3325 1.2161 0.0401 0.1252 -0.0042 64 HIS A ND1 +390 C CD2 . HIS A 63 ? 1.5368 1.3443 1.2012 0.0530 0.1477 -0.0198 64 HIS A CD2 +391 C CE1 . HIS A 63 ? 1.5124 1.3437 1.2549 0.0412 0.1298 -0.0083 64 HIS A CE1 +392 N NE2 . HIS A 63 ? 1.5283 1.3434 1.2402 0.0492 0.1446 -0.0184 64 HIS A NE2 +393 N N . ALA A 64 ? 1.3530 1.1704 0.9565 0.0551 0.1543 0.0157 65 ALA A N +394 C CA . ALA A 64 ? 1.3440 1.1629 0.9273 0.0550 0.1504 0.0235 65 ALA A CA +395 C C . ALA A 64 ? 1.2840 1.1146 0.9131 0.0529 0.1579 0.0372 65 ALA A C +396 O O . ALA A 64 ? 1.3226 1.1555 0.9896 0.0538 0.1700 0.0403 65 ALA A O +397 C CB . ALA A 64 ? 1.3482 1.1738 0.9181 0.0482 0.1235 0.0173 65 ALA A CB +398 N N . PHE A 65 ? 1.2168 1.0541 0.8476 0.0501 0.1500 0.0447 66 PHE A N +399 C CA . PHE A 65 ? 1.1824 1.0309 0.8616 0.0470 0.1520 0.0560 66 PHE A CA +400 C C . PHE A 65 ? 1.1171 0.9770 0.8059 0.0387 0.1267 0.0529 66 PHE A C +401 O O . PHE A 65 ? 1.1316 0.9904 0.7893 0.0379 0.1165 0.0500 66 PHE A O +402 C CB . PHE A 65 ? 1.1976 1.0410 0.8770 0.0535 0.1737 0.0704 66 PHE A CB +403 C CG . PHE A 65 ? 1.2078 1.0501 0.8586 0.0536 0.1662 0.0750 66 PHE A CG +404 C CD1 . PHE A 65 ? 1.1967 1.0504 0.8748 0.0476 0.1516 0.0790 66 PHE A CD1 +405 C CD2 . PHE A 65 ? 1.2563 1.0847 0.8524 0.0597 0.1720 0.0746 66 PHE A CD2 +406 C CE1 . PHE A 65 ? 1.1925 1.0456 0.8487 0.0477 0.1443 0.0831 66 PHE A CE1 +407 C CE2 . PHE A 65 ? 1.2606 1.0880 0.8337 0.0595 0.1626 0.0797 66 PHE A CE2 +408 C CZ . PHE A 65 ? 1.2200 1.0606 0.8258 0.0534 0.1497 0.0844 66 PHE A CZ +409 N N . ASN A 66 ? 1.0636 0.9328 0.7951 0.0331 0.1173 0.0535 67 ASN A N +410 C CA . ASN A 66 ? 1.0342 0.9120 0.7757 0.0256 0.0944 0.0492 67 ASN A CA +411 C C . ASN A 66 ? 0.9834 0.8657 0.7599 0.0242 0.0939 0.0579 67 ASN A C +412 O O . ASN A 66 ? 1.0254 0.9085 0.8401 0.0250 0.1015 0.0645 67 ASN A O +413 C CB . ASN A 66 ? 1.0810 0.9625 0.8408 0.0203 0.0809 0.0427 67 ASN A CB +414 C CG . ASN A 66 ? 1.1851 1.0634 0.9166 0.0204 0.0778 0.0337 67 ASN A CG +415 O OD1 . ASN A 66 ? 1.2599 1.1307 0.9650 0.0258 0.0899 0.0319 67 ASN A OD1 +416 N ND2 . ASN A 66 ? 1.1719 1.0544 0.9076 0.0147 0.0612 0.0281 67 ASN A ND2 +417 N N . VAL A 67 ? 0.9522 0.8371 0.7199 0.0222 0.0841 0.0575 68 VAL A N +418 C CA . VAL A 67 ? 0.9395 0.8287 0.7425 0.0192 0.0762 0.0616 68 VAL A CA +419 C C . VAL A 67 ? 0.9334 0.8253 0.7433 0.0126 0.0542 0.0514 68 VAL A C +420 O O . VAL A 67 ? 0.9468 0.8394 0.7270 0.0105 0.0444 0.0434 68 VAL A O +421 C CB . VAL A 67 ? 0.9582 0.8473 0.7478 0.0208 0.0776 0.0658 68 VAL A CB +422 C CG1 . VAL A 67 ? 0.9651 0.8575 0.7866 0.0170 0.0652 0.0656 68 VAL A CG1 +423 C CG2 . VAL A 67 ? 0.9792 0.8637 0.7625 0.0277 0.0996 0.0787 68 VAL A CG2 +424 N N . GLU A 68 ? 0.9189 0.8113 0.7663 0.0097 0.0467 0.0524 69 GLU A N +425 C CA . GLU A 68 ? 0.9175 0.8091 0.7692 0.0039 0.0245 0.0437 69 GLU A CA +426 C C . GLU A 68 ? 0.9129 0.8032 0.7696 0.0016 0.0114 0.0398 69 GLU A C +427 O O . GLU A 68 ? 0.9388 0.8297 0.8209 0.0036 0.0179 0.0468 69 GLU A O +428 C CB . GLU A 68 ? 0.9453 0.8359 0.8382 0.0021 0.0194 0.0476 69 GLU A CB +429 C CG . GLU A 68 ? 0.9631 0.8542 0.8586 0.0045 0.0322 0.0508 69 GLU A CG +430 N N . PHE A 69 ? 0.8909 0.7784 0.7256 -0.0018 -0.0048 0.0294 70 PHE A N +431 C CA . PHE A 69 ? 0.8938 0.7770 0.7318 -0.0036 -0.0181 0.0228 70 PHE A CA +432 C C . PHE A 69 ? 0.8950 0.7702 0.7326 -0.0078 -0.0400 0.0143 70 PHE A C +433 O O . PHE A 69 ? 0.8844 0.7581 0.7094 -0.0098 -0.0462 0.0129 70 PHE A O +434 C CB . PHE A 69 ? 0.8879 0.7724 0.6917 -0.0025 -0.0147 0.0171 70 PHE A CB +435 C CG . PHE A 69 ? 0.8796 0.7690 0.6821 0.0012 0.0008 0.0246 70 PHE A CG +436 C CD1 . PHE A 69 ? 0.9020 0.7948 0.6889 0.0039 0.0141 0.0304 70 PHE A CD1 +437 C CD2 . PHE A 69 ? 0.8887 0.7777 0.7023 0.0023 0.0009 0.0252 70 PHE A CD2 +438 C CE1 . PHE A 69 ? 0.8925 0.7871 0.6716 0.0076 0.0262 0.0374 70 PHE A CE1 +439 C CE2 . PHE A 69 ? 0.9004 0.7930 0.7112 0.0058 0.0137 0.0337 70 PHE A CE2 +440 C CZ . PHE A 69 ? 0.9019 0.7967 0.6929 0.0085 0.0257 0.0400 70 PHE A CZ +441 N N . ASP A 70 ? 0.9279 0.7962 0.7775 -0.0089 -0.0530 0.0085 71 ASP A N +442 C CA . ASP A 70 ? 0.9629 0.8191 0.8057 -0.0122 -0.0767 -0.0013 71 ASP A CA +443 C C . ASP A 70 ? 0.9697 0.8213 0.7609 -0.0120 -0.0781 -0.0116 71 ASP A C +444 O O . ASP A 70 ? 0.9831 0.8330 0.7628 -0.0101 -0.0741 -0.0177 71 ASP A O +445 C CB . ASP A 70 ? 0.9888 0.8371 0.8646 -0.0129 -0.0904 -0.0050 71 ASP A CB +446 C CG . ASP A 70 ? 1.0199 0.8516 0.8853 -0.0157 -0.1179 -0.0168 71 ASP A CG +447 O OD1 . ASP A 70 ? 1.0432 0.8692 0.8704 -0.0170 -0.1253 -0.0215 71 ASP A OD1 +448 O OD2 . ASP A 70 ? 1.0294 0.8528 0.9251 -0.0165 -0.1325 -0.0208 71 ASP A OD2 +449 N N . ASP A 71 ? 0.9746 0.8241 0.7398 -0.0137 -0.0826 -0.0124 72 ASP A N +450 C CA . ASP A 71 ? 0.9784 0.8231 0.6961 -0.0134 -0.0822 -0.0196 72 ASP A CA +451 C C . ASP A 71 ? 1.0038 0.8315 0.7014 -0.0153 -0.1041 -0.0279 72 ASP A C +452 O O . ASP A 71 ? 0.9902 0.8129 0.6499 -0.0156 -0.1051 -0.0297 72 ASP A O +453 C CB . ASP A 71 ? 0.9738 0.8278 0.6764 -0.0135 -0.0705 -0.0131 72 ASP A CB +454 C CG . ASP A 71 ? 1.0171 0.8710 0.7335 -0.0161 -0.0789 -0.0066 72 ASP A CG +455 O OD1 . ASP A 71 ? 1.0363 0.8891 0.7887 -0.0172 -0.0869 -0.0029 72 ASP A OD1 +456 O OD2 . ASP A 71 ? 1.0351 0.8905 0.7309 -0.0170 -0.0771 -0.0043 72 ASP A OD2 +457 N N . SER A 72 ? 0.9974 0.8152 0.7184 -0.0164 -0.1214 -0.0323 73 SER A N +458 C CA . SER A 72 ? 1.0679 0.8662 0.7722 -0.0184 -0.1476 -0.0402 73 SER A CA +459 C C . SER A 72 ? 1.1130 0.8965 0.7683 -0.0157 -0.1487 -0.0542 73 SER A C +460 O O . SER A 72 ? 1.1189 0.8848 0.7364 -0.0161 -0.1646 -0.0605 73 SER A O +461 C CB . SER A 72 ? 1.0852 0.8771 0.8360 -0.0204 -0.1673 -0.0405 73 SER A CB +462 O OG . SER A 72 ? 1.0850 0.8728 0.8493 -0.0184 -0.1670 -0.0488 73 SER A OG +463 N N . GLN A 73 ? 1.1655 0.9553 0.8217 -0.0126 -0.1314 -0.0581 74 GLN A N +464 C CA . GLN A 73 ? 1.2089 0.9874 0.8263 -0.0089 -0.1256 -0.0712 74 GLN A CA +465 C C . GLN A 73 ? 1.1877 0.9827 0.8137 -0.0063 -0.0999 -0.0674 74 GLN A C +466 O O . GLN A 73 ? 1.1302 0.9422 0.7903 -0.0073 -0.0907 -0.0560 74 GLN A O +467 C CB . GLN A 73 ? 1.2414 1.0014 0.8660 -0.0083 -0.1447 -0.0848 74 GLN A CB +468 C CG . GLN A 73 ? 1.2397 1.0061 0.9249 -0.0109 -0.1554 -0.0790 74 GLN A CG +469 C CD . GLN A 73 ? 1.2722 1.0245 0.9746 -0.0096 -0.1688 -0.0920 74 GLN A CD +470 O OE1 . GLN A 73 ? 1.2982 1.0271 0.9707 -0.0089 -0.1885 -0.1068 74 GLN A OE1 +471 N NE2 . GLN A 73 ? 1.1936 0.9586 0.9424 -0.0090 -0.1585 -0.0865 74 GLN A NE2 +472 N N . ASP A 74 ? 1.2067 0.9953 0.8034 -0.0026 -0.0893 -0.0766 75 ASP A N +473 C CA . ASP A 74 ? 1.2039 1.0061 0.8068 0.0000 -0.0666 -0.0735 75 ASP A CA +474 C C . ASP A 74 ? 1.1650 0.9728 0.8094 0.0007 -0.0656 -0.0737 75 ASP A C +475 O O . ASP A 74 ? 1.1687 0.9715 0.8125 0.0038 -0.0597 -0.0824 75 ASP A O +476 C CB . ASP A 74 ? 1.2746 1.0668 0.8372 0.0039 -0.0551 -0.0828 75 ASP A CB +477 C CG . ASP A 74 ? 1.2987 1.0868 0.8213 0.0037 -0.0514 -0.0793 75 ASP A CG +478 O OD1 . ASP A 74 ? 1.2721 1.0723 0.8023 0.0007 -0.0509 -0.0673 75 ASP A OD1 +479 O OD2 . ASP A 74 ? 1.3727 1.1447 0.8560 0.0072 -0.0476 -0.0885 75 ASP A OD2 +480 N N . LYS A 75 ? 1.1804 0.9989 0.8615 -0.0017 -0.0691 -0.0628 76 LYS A N +481 C CA . LYS A 75 ? 1.1703 0.9955 0.8951 -0.0012 -0.0672 -0.0582 76 LYS A CA +482 C C . LYS A 75 ? 1.0749 0.9178 0.8106 0.0000 -0.0485 -0.0456 76 LYS A C +483 O O . LYS A 75 ? 1.0687 0.9176 0.8364 0.0008 -0.0443 -0.0393 76 LYS A O +484 C CB . LYS A 75 ? 1.2235 1.0484 0.9829 -0.0041 -0.0807 -0.0520 76 LYS A CB +485 C CG . LYS A 75 ? 1.3084 1.1166 1.0828 -0.0049 -0.1019 -0.0631 76 LYS A CG +486 C CD . LYS A 75 ? 1.3308 1.1430 1.1592 -0.0072 -0.1104 -0.0534 76 LYS A CD +487 C CE . LYS A 75 ? 1.3057 1.1255 1.1433 -0.0097 -0.1109 -0.0414 76 LYS A CE +488 N NZ . LYS A 75 ? 1.3525 1.1576 1.1852 -0.0127 -0.1358 -0.0482 76 LYS A NZ +489 N N . ALA A 76 ? 0.9830 0.8331 0.6945 -0.0001 -0.0391 -0.0412 77 ALA A N +490 C CA . ALA A 76 ? 0.9116 0.7753 0.6276 0.0010 -0.0246 -0.0310 77 ALA A CA +491 C C . ALA A 76 ? 0.8620 0.7283 0.5476 0.0009 -0.0184 -0.0316 77 ALA A C +492 O O . ALA A 76 ? 0.8872 0.7547 0.5624 -0.0009 -0.0210 -0.0282 77 ALA A O +493 C CB . ALA A 76 ? 0.9004 0.7725 0.6385 0.0003 -0.0222 -0.0184 77 ALA A CB +494 N N . VAL A 77 ? 0.8316 0.6979 0.5068 0.0030 -0.0103 -0.0358 78 VAL A N +495 C CA . VAL A 77 ? 0.8185 0.6849 0.4671 0.0031 -0.0042 -0.0371 78 VAL A CA +496 C C . VAL A 77 ? 0.7994 0.6754 0.4558 0.0047 0.0069 -0.0321 78 VAL A C +497 O O . VAL A 77 ? 0.7993 0.6782 0.4757 0.0063 0.0093 -0.0310 78 VAL A O +498 C CB . VAL A 77 ? 0.8313 0.6832 0.4541 0.0045 -0.0057 -0.0488 78 VAL A CB +499 C CG1 . VAL A 77 ? 0.8451 0.6864 0.4567 0.0023 -0.0210 -0.0523 78 VAL A CG1 +500 C CG2 . VAL A 77 ? 0.8299 0.6751 0.4609 0.0078 -0.0019 -0.0580 78 VAL A CG2 +501 N N . LEU A 78 ? 0.7955 0.6755 0.4386 0.0041 0.0118 -0.0286 79 LEU A N +502 C CA . LEU A 78 ? 0.8004 0.6891 0.4518 0.0049 0.0197 -0.0231 79 LEU A CA +503 C C . LEU A 78 ? 0.8213 0.7063 0.4584 0.0062 0.0292 -0.0267 79 LEU A C +504 O O . LEU A 78 ? 0.8405 0.7226 0.4585 0.0048 0.0284 -0.0260 79 LEU A O +505 C CB . LEU A 78 ? 0.7948 0.6908 0.4468 0.0027 0.0158 -0.0149 79 LEU A CB +506 C CG . LEU A 78 ? 0.7970 0.7002 0.4567 0.0030 0.0196 -0.0096 79 LEU A CG +507 C CD1 . LEU A 78 ? 0.8183 0.7241 0.4974 0.0051 0.0217 -0.0084 79 LEU A CD1 +508 C CD2 . LEU A 78 ? 0.7964 0.7037 0.4548 0.0015 0.0141 -0.0038 79 LEU A CD2 +509 N N . LYS A 79 ? 0.8455 0.7302 0.4931 0.0092 0.0389 -0.0296 80 LYS A N +510 C CA . LYS A 79 ? 0.8886 0.7705 0.5279 0.0115 0.0529 -0.0309 80 LYS A CA +511 C C . LYS A 79 ? 0.8940 0.7868 0.5629 0.0121 0.0593 -0.0235 80 LYS A C +512 O O . LYS A 79 ? 0.8807 0.7813 0.5701 0.0107 0.0507 -0.0180 80 LYS A O +513 C CB . LYS A 79 ? 0.9379 0.8067 0.5651 0.0156 0.0613 -0.0424 80 LYS A CB +514 C CG . LYS A 79 ? 0.9595 0.8134 0.5569 0.0156 0.0526 -0.0522 80 LYS A CG +515 C CD . LYS A 79 ? 0.9762 0.8186 0.5757 0.0193 0.0542 -0.0648 80 LYS A CD +516 C CE . LYS A 79 ? 1.0193 0.8408 0.5791 0.0220 0.0538 -0.0776 80 LYS A CE +517 N NZ . LYS A 79 ? 1.0362 0.8516 0.5782 0.0183 0.0344 -0.0782 80 LYS A NZ +518 N N . GLY A 80 ? 0.9246 0.8165 0.5959 0.0145 0.0743 -0.0228 81 GLY A N +519 C CA . GLY A 80 ? 0.9367 0.8379 0.6427 0.0154 0.0812 -0.0159 81 GLY A CA +520 C C . GLY A 80 ? 0.9622 0.8731 0.6798 0.0116 0.0704 -0.0063 81 GLY A C +521 O O . GLY A 80 ? 0.9983 0.9082 0.6946 0.0091 0.0650 -0.0049 81 GLY A O +522 N N . GLY A 81 ? 0.9595 0.8783 0.7101 0.0113 0.0657 -0.0003 82 GLY A N +523 C CA . GLY A 81 ? 0.9165 0.8424 0.6820 0.0084 0.0559 0.0077 82 GLY A CA +524 C C . GLY A 81 ? 0.9335 0.8599 0.6967 0.0081 0.0670 0.0111 82 GLY A C +525 O O . GLY A 81 ? 0.9531 0.8768 0.7186 0.0111 0.0852 0.0104 82 GLY A O +526 N N . PRO A 82 ? 0.9064 0.8349 0.6622 0.0049 0.0574 0.0147 83 PRO A N +527 C CA . PRO A 82 ? 0.8980 0.8273 0.6547 0.0043 0.0667 0.0199 83 PRO A CA +528 C C . PRO A 82 ? 0.9031 0.8245 0.6216 0.0051 0.0760 0.0167 83 PRO A C +529 O O . PRO A 82 ? 0.9499 0.8711 0.6666 0.0049 0.0848 0.0224 83 PRO A O +530 C CB . PRO A 82 ? 0.8806 0.8134 0.6418 0.0006 0.0492 0.0230 83 PRO A CB +531 C CG . PRO A 82 ? 0.8763 0.8053 0.6119 0.0000 0.0372 0.0167 83 PRO A CG +532 C CD . PRO A 82 ? 0.8824 0.8112 0.6275 0.0023 0.0390 0.0140 83 PRO A CD +533 N N . LEU A 83 ? 0.8845 0.7992 0.5755 0.0056 0.0718 0.0086 84 LEU A N +534 C CA . LEU A 83 ? 0.9083 0.8146 0.5624 0.0049 0.0706 0.0057 84 LEU A CA +535 C C . LEU A 83 ? 0.9218 0.8174 0.5521 0.0087 0.0871 0.0023 84 LEU A C +536 O O . LEU A 83 ? 0.9212 0.8132 0.5556 0.0121 0.0948 -0.0038 84 LEU A O +537 C CB . LEU A 83 ? 0.9047 0.8077 0.5451 0.0037 0.0567 -0.0010 84 LEU A CB +538 C CG . LEU A 83 ? 0.8590 0.7689 0.5152 0.0015 0.0428 0.0006 84 LEU A CG +539 C CD1 . LEU A 83 ? 0.8594 0.7653 0.5080 0.0020 0.0362 -0.0051 84 LEU A CD1 +540 C CD2 . LEU A 83 ? 0.8593 0.7713 0.5109 -0.0015 0.0344 0.0046 84 LEU A CD2 +541 N N . ASP A 84 ? 0.9458 0.8346 0.5489 0.0085 0.0911 0.0056 85 ASP A N +542 C CA . ASP A 84 ? 0.9971 0.8703 0.5617 0.0125 0.1034 0.0012 85 ASP A CA +543 C C . ASP A 84 ? 0.9912 0.8536 0.5240 0.0111 0.0868 -0.0075 85 ASP A C +544 O O . ASP A 84 ? 0.9888 0.8514 0.5115 0.0074 0.0735 -0.0032 85 ASP A O +545 C CB . ASP A 84 ? 0.9993 0.8687 0.5487 0.0134 0.1168 0.0117 85 ASP A CB +546 N N . GLY A 85 ? 0.9949 0.8490 0.5193 0.0139 0.0864 -0.0191 86 GLY A N +547 C CA . GLY A 85 ? 1.0232 0.8644 0.5210 0.0134 0.0711 -0.0290 86 GLY A CA +548 C C . GLY A 85 ? 1.0220 0.8704 0.5455 0.0109 0.0560 -0.0332 86 GLY A C +549 O O . GLY A 85 ? 1.0036 0.8638 0.5601 0.0110 0.0600 -0.0312 86 GLY A O +550 N N . THR A 86 ? 1.0190 0.8594 0.5285 0.0088 0.0390 -0.0380 87 THR A N +551 C CA . THR A 86 ? 0.9604 0.8042 0.4914 0.0067 0.0247 -0.0416 87 THR A CA +552 C C . THR A 86 ? 0.9069 0.7590 0.4491 0.0022 0.0125 -0.0334 87 THR A C +553 O O . THR A 86 ? 0.8480 0.6939 0.3710 0.0003 0.0048 -0.0309 87 THR A O +554 C CB . THR A 86 ? 1.0026 0.8289 0.5145 0.0082 0.0145 -0.0538 87 THR A CB +555 O OG1 . THR A 86 ? 1.0271 0.8426 0.5207 0.0132 0.0285 -0.0623 87 THR A OG1 +556 C CG2 . THR A 86 ? 0.9948 0.8241 0.5352 0.0069 0.0032 -0.0573 87 THR A CG2 +557 N N . TYR A 87 ? 0.8755 0.7400 0.4471 0.0010 0.0110 -0.0291 88 TYR A N +558 C CA . TYR A 87 ? 0.8348 0.7064 0.4189 -0.0021 0.0023 -0.0223 88 TYR A CA +559 C C . TYR A 87 ? 0.8377 0.7081 0.4384 -0.0026 -0.0065 -0.0247 88 TYR A C +560 O O . TYR A 87 ? 0.8833 0.7544 0.4958 -0.0006 -0.0033 -0.0279 88 TYR A O +561 C CB . TYR A 87 ? 0.8029 0.6867 0.4016 -0.0025 0.0088 -0.0152 88 TYR A CB +562 C CG . TYR A 87 ? 0.7883 0.6740 0.3781 -0.0030 0.0152 -0.0106 88 TYR A CG +563 C CD1 . TYR A 87 ? 0.8323 0.7160 0.4157 -0.0006 0.0267 -0.0116 88 TYR A CD1 +564 C CD2 . TYR A 87 ? 0.7625 0.6520 0.3543 -0.0055 0.0111 -0.0047 88 TYR A CD2 +565 C CE1 . TYR A 87 ? 0.8543 0.7402 0.4346 -0.0009 0.0346 -0.0054 88 TYR A CE1 +566 C CE2 . TYR A 87 ? 0.7939 0.6858 0.3833 -0.0060 0.0170 0.0007 88 TYR A CE2 +567 C CZ . TYR A 87 ? 0.8386 0.7291 0.4229 -0.0038 0.0290 0.0012 88 TYR A CZ +568 O OH . TYR A 87 ? 0.8558 0.7484 0.4412 -0.0041 0.0366 0.0085 88 TYR A OH +569 N N . ARG A 88 ? 0.8483 0.7161 0.4525 -0.0049 -0.0172 -0.0227 89 ARG A N +570 C CA . ARG A 88 ? 0.8444 0.7102 0.4698 -0.0054 -0.0257 -0.0237 89 ARG A CA +571 C C . ARG A 88 ? 0.8175 0.6939 0.4655 -0.0056 -0.0214 -0.0152 89 ARG A C +572 O O . ARG A 88 ? 0.8160 0.6967 0.4613 -0.0068 -0.0200 -0.0103 89 ARG A O +573 C CB . ARG A 88 ? 0.8714 0.7263 0.4908 -0.0076 -0.0410 -0.0265 89 ARG A CB +574 C CG . ARG A 88 ? 0.9163 0.7565 0.5206 -0.0063 -0.0490 -0.0374 89 ARG A CG +575 C CD . ARG A 88 ? 0.9516 0.7792 0.5568 -0.0086 -0.0692 -0.0405 89 ARG A CD +576 N NE . ARG A 88 ? 1.0024 0.8121 0.5722 -0.0069 -0.0758 -0.0517 89 ARG A NE +577 C CZ . ARG A 88 ? 1.0475 0.8414 0.5941 -0.0082 -0.0930 -0.0552 89 ARG A CZ +578 N NH1 . ARG A 88 ? 1.0510 0.8461 0.6121 -0.0118 -0.1067 -0.0476 89 ARG A NH1 +579 N NH2 . ARG A 88 ? 1.1184 0.8939 0.6259 -0.0055 -0.0965 -0.0663 89 ARG A NH2 +580 N N . LEU A 89 ? 0.8068 0.6862 0.4752 -0.0041 -0.0185 -0.0133 90 LEU A N +581 C CA . LEU A 89 ? 0.8060 0.6924 0.4912 -0.0033 -0.0126 -0.0048 90 LEU A CA +582 C C . LEU A 89 ? 0.8364 0.7206 0.5366 -0.0050 -0.0187 -0.0017 90 LEU A C +583 O O . LEU A 89 ? 0.8560 0.7343 0.5710 -0.0061 -0.0280 -0.0041 90 LEU A O +584 C CB . LEU A 89 ? 0.7972 0.6857 0.5002 -0.0010 -0.0078 -0.0016 90 LEU A CB +585 C CG . LEU A 89 ? 0.7831 0.6763 0.4964 0.0008 0.0006 0.0081 90 LEU A CG +586 C CD1 . LEU A 89 ? 0.7760 0.6728 0.4690 0.0017 0.0059 0.0098 90 LEU A CD1 +587 C CD2 . LEU A 89 ? 0.7934 0.6877 0.5240 0.0033 0.0055 0.0136 90 LEU A CD2 +588 N N . ILE A 90 ? 0.8517 0.7395 0.5512 -0.0052 -0.0147 0.0030 91 ILE A N +589 C CA . ILE A 90 ? 0.8461 0.7324 0.5657 -0.0065 -0.0188 0.0069 91 ILE A CA +590 C C . ILE A 90 ? 0.8535 0.7440 0.5910 -0.0034 -0.0059 0.0145 91 ILE A C +591 O O . ILE A 90 ? 0.8383 0.7277 0.6055 -0.0032 -0.0057 0.0193 91 ILE A O +592 C CB . ILE A 90 ? 0.8474 0.7327 0.5539 -0.0089 -0.0244 0.0061 91 ILE A CB +593 C CG1 . ILE A 90 ? 0.8898 0.7739 0.6215 -0.0102 -0.0289 0.0109 91 ILE A CG1 +594 C CG2 . ILE A 90 ? 0.8278 0.7179 0.5157 -0.0078 -0.0156 0.0065 91 ILE A CG2 +595 C CD1 . ILE A 90 ? 0.9259 0.8047 0.6501 -0.0138 -0.0436 0.0097 91 ILE A CD1 +596 N N . GLN A 91 ? 0.8686 0.7622 0.5892 -0.0008 0.0047 0.0161 92 GLN A N +597 C CA . GLN A 91 ? 0.8964 0.7905 0.6253 0.0032 0.0184 0.0232 92 GLN A CA +598 C C . GLN A 91 ? 0.8761 0.7706 0.5793 0.0061 0.0252 0.0235 92 GLN A C +599 O O . GLN A 91 ? 0.8576 0.7535 0.5426 0.0045 0.0192 0.0183 92 GLN A O +600 C CB . GLN A 91 ? 0.9434 0.8364 0.6825 0.0037 0.0230 0.0254 92 GLN A CB +601 C CG . GLN A 91 ? 0.9644 0.8575 0.6850 0.0018 0.0181 0.0202 92 GLN A CG +602 C CD . GLN A 91 ? 1.0288 0.9200 0.7322 0.0057 0.0294 0.0201 92 GLN A CD +603 O OE1 . GLN A 91 ? 1.1249 1.0136 0.8228 0.0101 0.0405 0.0239 92 GLN A OE1 +604 N NE2 . GLN A 91 ? 1.0630 0.9537 0.7559 0.0045 0.0259 0.0158 92 GLN A NE2 +605 N N . PHE A 92 ? 0.9093 0.8018 0.6125 0.0104 0.0373 0.0302 93 PHE A N +606 C CA . PHE A 92 ? 0.9786 0.8680 0.6529 0.0139 0.0424 0.0309 93 PHE A CA +607 C C . PHE A 92 ? 1.0275 0.9107 0.6958 0.0189 0.0571 0.0357 93 PHE A C +608 O O . PHE A 92 ? 1.1117 0.9945 0.8034 0.0205 0.0668 0.0419 93 PHE A O +609 C CB . PHE A 92 ? 0.9923 0.8826 0.6618 0.0148 0.0406 0.0343 93 PHE A CB +610 C CG . PHE A 92 ? 1.0145 0.9027 0.6958 0.0185 0.0513 0.0449 93 PHE A CG +611 C CD1 . PHE A 92 ? 1.0355 0.9169 0.6964 0.0239 0.0631 0.0518 93 PHE A CD1 +612 C CD2 . PHE A 92 ? 1.0106 0.9022 0.7222 0.0169 0.0496 0.0481 93 PHE A CD2 +613 C CE1 . PHE A 92 ? 1.0456 0.9245 0.7169 0.0278 0.0752 0.0640 93 PHE A CE1 +614 C CE2 . PHE A 92 ? 1.0387 0.9288 0.7662 0.0202 0.0601 0.0597 93 PHE A CE2 +615 C CZ . PHE A 92 ? 1.0596 0.9440 0.7672 0.0257 0.0740 0.0687 93 PHE A CZ +616 N N . HIS A 93 ? 1.0640 0.9413 0.7020 0.0217 0.0586 0.0324 94 HIS A N +617 C CA . HIS A 93 ? 1.1221 0.9897 0.7439 0.0277 0.0733 0.0344 94 HIS A CA +618 C C . HIS A 93 ? 1.1394 0.9982 0.7207 0.0309 0.0695 0.0314 94 HIS A C +619 O O . HIS A 93 ? 1.0924 0.9549 0.6674 0.0273 0.0542 0.0271 94 HIS A O +620 C CB . HIS A 93 ? 1.1503 1.0177 0.7838 0.0266 0.0750 0.0286 94 HIS A CB +621 C CG . HIS A 93 ? 1.1673 1.0362 0.7883 0.0228 0.0603 0.0190 94 HIS A CG +622 N ND1 . HIS A 93 ? 1.1654 1.0428 0.7961 0.0171 0.0463 0.0170 94 HIS A ND1 +623 C CD2 . HIS A 93 ? 1.2340 1.0960 0.8338 0.0244 0.0578 0.0114 94 HIS A CD2 +624 C CE1 . HIS A 93 ? 1.2521 1.1293 0.8721 0.0150 0.0372 0.0102 94 HIS A CE1 +625 N NE2 . HIS A 93 ? 1.2735 1.1417 0.8758 0.0191 0.0424 0.0064 94 HIS A NE2 +626 N N . PHE A 94 ? 1.1328 0.9788 0.6878 0.0377 0.0826 0.0334 95 PHE A N +627 C CA . PHE A 94 ? 1.1730 1.0065 0.6844 0.0415 0.0768 0.0304 95 PHE A CA +628 C C . PHE A 94 ? 1.2536 1.0749 0.7407 0.0448 0.0786 0.0197 95 PHE A C +629 O O . PHE A 94 ? 1.2613 1.0815 0.7622 0.0467 0.0928 0.0183 95 PHE A O +630 C CB . PHE A 94 ? 1.2153 1.0392 0.7059 0.0480 0.0904 0.0421 95 PHE A CB +631 C CG . PHE A 94 ? 1.1779 1.0124 0.6955 0.0455 0.0903 0.0535 95 PHE A CG +632 C CD1 . PHE A 94 ? 1.1770 1.0195 0.7330 0.0449 0.1034 0.0610 95 PHE A CD1 +633 C CD2 . PHE A 94 ? 1.1946 1.0301 0.7024 0.0439 0.0764 0.0567 95 PHE A CD2 +634 C CE1 . PHE A 94 ? 1.1797 1.0304 0.7623 0.0428 0.1023 0.0706 95 PHE A CE1 +635 C CE2 . PHE A 94 ? 1.2068 1.0510 0.7413 0.0421 0.0769 0.0667 95 PHE A CE2 +636 C CZ . PHE A 94 ? 1.1958 1.0472 0.7668 0.0416 0.0897 0.0731 95 PHE A CZ +637 N N . HIS A 95 ? 1.3477 1.1595 0.8026 0.0455 0.0637 0.0125 96 HIS A N +638 C CA . HIS A 95 ? 1.4708 1.2639 0.8883 0.0508 0.0636 0.0020 96 HIS A CA +639 C C . HIS A 95 ? 1.5272 1.3019 0.8952 0.0573 0.0622 0.0055 96 HIS A C +640 O O . HIS A 95 ? 1.4896 1.2685 0.8563 0.0548 0.0489 0.0121 96 HIS A O +641 C CB . HIS A 95 ? 1.4831 1.2793 0.9091 0.0455 0.0433 -0.0101 96 HIS A CB +642 C CG . HIS A 95 ? 1.4926 1.3074 0.9643 0.0385 0.0420 -0.0101 96 HIS A CG +643 N ND1 . HIS A 95 ? 1.5618 1.3788 1.0538 0.0388 0.0541 -0.0124 96 HIS A ND1 +644 C CD2 . HIS A 95 ? 1.4713 1.3019 0.9708 0.0315 0.0304 -0.0072 96 HIS A CD2 +645 C CE1 . HIS A 95 ? 1.4644 1.2972 0.9923 0.0319 0.0477 -0.0106 96 HIS A CE1 +646 N NE2 . HIS A 95 ? 1.4551 1.2958 0.9855 0.0277 0.0342 -0.0079 96 HIS A NE2 +647 N N . TRP A 96 ? 1.6054 1.3590 0.9330 0.0658 0.0755 0.0013 97 TRP A N +648 C CA . TRP A 96 ? 1.7173 1.4490 0.9890 0.0738 0.0783 0.0061 97 TRP A CA +649 C C . TRP A 96 ? 1.7641 1.4692 0.9867 0.0825 0.0867 -0.0062 97 TRP A C +650 O O . TRP A 96 ? 1.7215 1.4277 0.9619 0.0836 0.1009 -0.0140 97 TRP A O +651 C CB . TRP A 96 ? 1.7460 1.4816 1.0241 0.0773 0.1007 0.0247 97 TRP A CB +652 C CG . TRP A 96 ? 1.7503 1.4861 1.0451 0.0821 0.1322 0.0287 97 TRP A CG +653 C CD1 . TRP A 96 ? 1.7893 1.5043 1.0458 0.0926 0.1573 0.0308 97 TRP A CD1 +654 C CD2 . TRP A 96 ? 1.7140 1.4707 1.0699 0.0769 0.1422 0.0319 97 TRP A CD2 +655 N NE1 . TRP A 96 ? 1.7790 1.5021 1.0743 0.0942 0.1836 0.0356 97 TRP A NE1 +656 C CE2 . TRP A 96 ? 1.7125 1.4609 1.0696 0.0845 0.1731 0.0364 97 TRP A CE2 +657 C CE3 . TRP A 96 ? 1.6092 1.3890 1.0171 0.0672 0.1281 0.0313 97 TRP A CE3 +658 C CZ2 . TRP A 96 ? 1.7032 1.4666 1.1169 0.0819 0.1874 0.0410 97 TRP A CZ2 +659 C CZ3 . TRP A 96 ? 1.6084 1.4010 1.0648 0.0648 0.1410 0.0350 97 TRP A CZ3 +660 C CH2 . TRP A 96 ? 1.6584 1.4435 1.1204 0.0718 0.1689 0.0399 97 TRP A CH2 +661 N N . GLY A 97 ? 1.8859 1.5665 1.0481 0.0889 0.0787 -0.0075 98 GLY A N +662 C CA . GLY A 97 ? 2.0224 1.6727 1.1274 0.0969 0.0774 -0.0233 98 GLY A CA +663 C C . GLY A 97 ? 2.0916 1.7170 1.1423 0.1095 0.1073 -0.0179 98 GLY A C +664 O O . GLY A 97 ? 2.0949 1.7303 1.1653 0.1118 0.1347 -0.0012 98 GLY A O +665 N N . SER A 98 ? 2.1038 1.6963 1.0882 0.1178 0.1024 -0.0318 99 SER A N +666 C CA . SER A 98 ? 2.1307 1.6919 1.0474 0.1318 0.1303 -0.0297 99 SER A CA +667 C C . SER A 98 ? 2.1513 1.6904 1.0025 0.1361 0.1130 -0.0214 99 SER A C +668 O O . SER A 98 ? 2.1107 1.6500 0.9502 0.1403 0.1331 -0.0004 99 SER A O +669 C CB . SER A 98 ? 2.1494 1.6861 1.0340 0.1389 0.1375 -0.0524 99 SER A CB +670 N N . LEU A 99 ? 2.1795 1.6993 0.9916 0.1352 0.0765 -0.0365 100 LEU A N +671 C CA . LEU A 99 ? 2.1832 1.6930 0.9618 0.1333 0.0433 -0.0288 100 LEU A CA +672 C C . LEU A 99 ? 2.1152 1.6627 0.9720 0.1193 0.0211 -0.0202 100 LEU A C +673 O O . LEU A 99 ? 1.9889 1.5631 0.9113 0.1119 0.0260 -0.0259 100 LEU A O +674 C CB . LEU A 99 ? 2.1664 1.6412 0.8826 0.1372 0.0110 -0.0503 100 LEU A CB +675 N N . ASP A 100 ? 2.1391 1.6878 0.9891 0.1162 -0.0019 -0.0070 101 ASP A N +676 C CA . ASP A 100 ? 2.0808 1.6643 1.0012 0.1054 -0.0122 0.0073 101 ASP A CA +677 C C . ASP A 100 ? 2.0525 1.6430 1.0003 0.0963 -0.0548 -0.0016 101 ASP A C +678 O O . ASP A 100 ? 1.9113 1.5308 0.9211 0.0873 -0.0630 0.0071 101 ASP A O +679 C CB . ASP A 100 ? 2.0842 1.6671 0.9890 0.1088 -0.0005 0.0318 101 ASP A CB +680 C CG . ASP A 100 ? 2.0816 1.6603 0.9709 0.1174 0.0440 0.0426 101 ASP A CG +681 O OD1 . ASP A 100 ? 2.0194 1.6058 0.9328 0.1180 0.0668 0.0330 101 ASP A OD1 +682 O OD2 . ASP A 100 ? 2.1095 1.6767 0.9650 0.1235 0.0558 0.0615 101 ASP A OD2 +683 N N . GLY A 101 ? 2.1040 1.6688 1.0111 0.0988 -0.0807 -0.0191 102 GLY A N +684 C CA . GLY A 101 ? 2.0363 1.6065 0.9759 0.0905 -0.1200 -0.0299 102 GLY A CA +685 C C . GLY A 101 ? 1.9660 1.5510 0.9515 0.0855 -0.1162 -0.0462 102 GLY A C +686 O O . GLY A 101 ? 1.9319 1.5127 0.9319 0.0812 -0.1464 -0.0594 102 GLY A O +687 N N . GLN A 102 ? 1.9515 1.5511 0.9583 0.0867 -0.0808 -0.0449 103 GLN A N +688 C CA . GLN A 102 ? 1.9278 1.5503 0.9938 0.0803 -0.0727 -0.0538 103 GLN A CA +689 C C . GLN A 102 ? 1.9185 1.5624 1.0154 0.0803 -0.0356 -0.0420 103 GLN A C +690 O O . GLN A 102 ? 2.0371 1.6685 1.0966 0.0885 -0.0109 -0.0344 103 GLN A O +691 C CB . GLN A 102 ? 1.9006 1.5012 0.9410 0.0844 -0.0780 -0.0759 103 GLN A CB +692 C CG . GLN A 102 ? 1.9022 1.4813 0.8935 0.0953 -0.0466 -0.0812 103 GLN A CG +693 C CD . GLN A 102 ? 1.9544 1.5021 0.9031 0.1010 -0.0600 -0.1047 103 GLN A CD +694 O OE1 . GLN A 102 ? 1.8784 1.4300 0.8586 0.0952 -0.0831 -0.1180 103 GLN A OE1 +695 N NE2 . GLN A 102 ? 2.0261 1.5408 0.9016 0.1129 -0.0452 -0.1100 103 GLN A NE2 +696 N N . GLY A 103 ? 1.7705 1.4442 0.9329 0.0718 -0.0322 -0.0399 104 GLY A N +697 C CA . GLY A 103 ? 1.6894 1.3840 0.8881 0.0706 -0.0026 -0.0294 104 GLY A CA +698 C C . GLY A 103 ? 1.5548 1.2804 0.8181 0.0604 -0.0088 -0.0236 104 GLY A C +699 O O . GLY A 103 ? 1.4946 1.2369 0.7925 0.0584 0.0108 -0.0183 104 GLY A O +700 N N . SER A 104 ? 1.4475 1.1793 0.7267 0.0547 -0.0348 -0.0238 105 SER A N +701 C CA . SER A 104 ? 1.3520 1.1103 0.6882 0.0458 -0.0409 -0.0196 105 SER A CA +702 C C . SER A 104 ? 1.3084 1.0721 0.6706 0.0416 -0.0471 -0.0317 105 SER A C +703 O O . SER A 104 ? 1.2800 1.0257 0.6179 0.0444 -0.0589 -0.0440 105 SER A O +704 C CB . SER A 104 ? 1.3459 1.1074 0.6900 0.0425 -0.0627 -0.0132 105 SER A CB +705 O OG . SER A 104 ? 1.3585 1.1078 0.6939 0.0415 -0.0891 -0.0232 105 SER A OG +706 N N . GLU A 105 ? 1.2309 1.0167 0.6390 0.0355 -0.0401 -0.0283 106 GLU A N +707 C CA . GLU A 105 ? 1.1824 0.9760 0.6209 0.0306 -0.0467 -0.0362 106 GLU A CA +708 C C . GLU A 105 ? 1.1507 0.9465 0.6056 0.0262 -0.0713 -0.0376 106 GLU A C +709 O O . GLU A 105 ? 1.1541 0.9384 0.6042 0.0265 -0.0864 -0.0478 106 GLU A O +710 C CB . GLU A 105 ? 1.1860 0.9990 0.6603 0.0265 -0.0310 -0.0309 106 GLU A CB +711 C CG . GLU A 105 ? 1.2231 1.0332 0.6891 0.0307 -0.0086 -0.0295 106 GLU A CG +712 C CD . GLU A 105 ? 1.2268 1.0388 0.7109 0.0299 -0.0002 -0.0353 106 GLU A CD +713 O OE1 . GLU A 105 ? 1.1964 1.0135 0.6928 0.0309 0.0167 -0.0305 106 GLU A OE1 +714 O OE2 . GLU A 105 ? 1.2803 1.0882 0.7697 0.0284 -0.0111 -0.0441 106 GLU A OE2 +715 N N . HIS A 106 ? 1.1053 0.9135 0.5806 0.0228 -0.0761 -0.0282 107 HIS A N +716 C CA . HIS A 106 ? 1.1256 0.9370 0.6253 0.0187 -0.0978 -0.0282 107 HIS A CA +717 C C . HIS A 106 ? 1.2017 0.9941 0.6699 0.0223 -0.1178 -0.0297 107 HIS A C +718 O O . HIS A 106 ? 1.2714 1.0513 0.6989 0.0278 -0.1109 -0.0276 107 HIS A O +719 C CB . HIS A 106 ? 1.0913 0.9230 0.6294 0.0139 -0.0933 -0.0181 107 HIS A CB +720 C CG . HIS A 106 ? 1.0427 0.8907 0.6109 0.0099 -0.0793 -0.0168 107 HIS A CG +721 N ND1 . HIS A 106 ? 1.0303 0.8854 0.5958 0.0104 -0.0603 -0.0135 107 HIS A ND1 +722 C CD2 . HIS A 106 ? 1.0268 0.8845 0.6285 0.0055 -0.0822 -0.0169 107 HIS A CD2 +723 C CE1 . HIS A 106 ? 1.0072 0.8744 0.5987 0.0064 -0.0538 -0.0125 107 HIS A CE1 +724 N NE2 . HIS A 106 ? 0.9934 0.8625 0.6062 0.0036 -0.0653 -0.0139 107 HIS A NE2 +725 N N . THR A 107 ? 1.2348 1.0243 0.7222 0.0195 -0.1419 -0.0321 108 THR A N +726 C CA . THR A 107 ? 1.2787 1.0480 0.7396 0.0222 -0.1681 -0.0343 108 THR A CA +727 C C . THR A 107 ? 1.2791 1.0593 0.7858 0.0171 -0.1865 -0.0267 108 THR A C +728 O O . THR A 107 ? 1.2247 1.0232 0.7811 0.0120 -0.1816 -0.0244 108 THR A O +729 C CB . THR A 107 ? 1.3091 1.0550 0.7392 0.0255 -0.1826 -0.0498 108 THR A CB +730 O OG1 . THR A 107 ? 1.2684 1.0200 0.7412 0.0205 -0.1961 -0.0562 108 THR A OG1 +731 C CG2 . THR A 107 ? 1.3037 1.0415 0.6979 0.0306 -0.1594 -0.0567 108 THR A CG2 +732 N N . VAL A 108 ? 1.3413 1.1100 0.8330 0.0188 -0.2063 -0.0217 109 VAL A N +733 C CA . VAL A 108 ? 1.3496 1.1269 0.8893 0.0144 -0.2261 -0.0140 109 VAL A CA +734 C C . VAL A 108 ? 1.4516 1.2064 0.9800 0.0151 -0.2635 -0.0201 109 VAL A C +735 O O . VAL A 108 ? 1.5900 1.3251 1.0725 0.0194 -0.2777 -0.0186 109 VAL A O +736 C CB . VAL A 108 ? 1.2953 1.0823 0.8414 0.0147 -0.2176 0.0000 109 VAL A CB +737 C CG1 . VAL A 108 ? 1.2635 1.0595 0.8635 0.0106 -0.2358 0.0081 109 VAL A CG1 +738 C CG2 . VAL A 108 ? 1.2587 1.0649 0.8144 0.0141 -0.1838 0.0039 109 VAL A CG2 +739 N N . ASP A 109 ? 1.4648 1.2223 1.0367 0.0109 -0.2800 -0.0254 110 ASP A N +740 C CA . ASP A 109 ? 1.4993 1.2341 1.0667 0.0110 -0.3186 -0.0340 110 ASP A CA +741 C C . ASP A 109 ? 1.5543 1.2608 1.0465 0.0174 -0.3225 -0.0484 110 ASP A C +742 O O . ASP A 109 ? 1.6719 1.3518 1.1243 0.0208 -0.3513 -0.0530 110 ASP A O +743 C CB . ASP A 109 ? 1.5183 1.2486 1.1016 0.0100 -0.3453 -0.0236 110 ASP A CB +744 C CG . ASP A 109 ? 1.4746 1.2315 1.1384 0.0041 -0.3407 -0.0108 110 ASP A CG +745 O OD1 . ASP A 109 ? 1.4802 1.2447 1.1992 -0.0001 -0.3496 -0.0129 110 ASP A OD1 +746 O OD2 . ASP A 109 ? 1.4806 1.2497 1.1527 0.0043 -0.3272 0.0014 110 ASP A OD2 +747 N N . LYS A 110 ? 1.5410 1.2523 1.0147 0.0194 -0.2937 -0.0547 111 LYS A N +748 C CA . LYS A 110 ? 1.5785 1.2662 0.9866 0.0261 -0.2870 -0.0687 111 LYS A CA +749 C C . LYS A 110 ? 1.5767 1.2557 0.9258 0.0325 -0.2694 -0.0618 111 LYS A C +750 O O . LYS A 110 ? 1.6043 1.2692 0.9045 0.0386 -0.2521 -0.0701 111 LYS A O +751 C CB . LYS A 110 ? 1.6626 1.3184 1.0412 0.0288 -0.3221 -0.0847 111 LYS A CB +752 C CG . LYS A 110 ? 1.6686 1.3276 1.1082 0.0225 -0.3522 -0.0887 111 LYS A CG +753 C CD . LYS A 110 ? 1.6015 1.2901 1.1111 0.0161 -0.3336 -0.0848 111 LYS A CD +754 C CE . LYS A 110 ? 1.6091 1.2896 1.1531 0.0132 -0.3560 -0.0973 111 LYS A CE +755 N NZ . LYS A 110 ? 1.6464 1.3029 1.1388 0.0189 -0.3546 -0.1164 111 LYS A NZ +756 N N . LYS A 111 ? 1.5417 1.2276 0.8972 0.0316 -0.2732 -0.0467 112 LYS A N +757 C CA . LYS A 111 ? 1.5764 1.2534 0.8799 0.0375 -0.2594 -0.0371 112 LYS A CA +758 C C . LYS A 111 ? 1.5200 1.2136 0.8232 0.0389 -0.2183 -0.0338 112 LYS A C +759 O O . LYS A 111 ? 1.4681 1.1881 0.8255 0.0333 -0.2038 -0.0309 112 LYS A O +760 C CB . LYS A 111 ? 1.6085 1.2941 0.9369 0.0347 -0.2732 -0.0208 112 LYS A CB +761 C CG . LYS A 111 ? 1.6930 1.3767 0.9864 0.0393 -0.2565 -0.0065 112 LYS A CG +762 C CD . LYS A 111 ? 1.6813 1.3878 1.0262 0.0346 -0.2551 0.0102 112 LYS A CD +763 C CE . LYS A 111 ? 1.6985 1.3997 1.0103 0.0391 -0.2450 0.0255 112 LYS A CE +764 N NZ . LYS A 111 ? 1.6937 1.3947 0.9703 0.0441 -0.2100 0.0257 112 LYS A NZ +765 N N . LYS A 112 ? 1.5349 1.2124 0.7797 0.0465 -0.2007 -0.0335 113 LYS A N +766 C CA . LYS A 112 ? 1.5301 1.2190 0.7721 0.0488 -0.1626 -0.0311 113 LYS A CA +767 C C . LYS A 112 ? 1.5483 1.2359 0.7633 0.0533 -0.1452 -0.0155 113 LYS A C +768 O O . LYS A 112 ? 1.7062 1.3698 0.8689 0.0590 -0.1569 -0.0123 113 LYS A O +769 C CB . LYS A 112 ? 1.5505 1.2203 0.7543 0.0544 -0.1529 -0.0470 113 LYS A CB +770 C CG . LYS A 112 ? 1.5873 1.2470 0.8014 0.0519 -0.1795 -0.0634 113 LYS A CG +771 C CD . LYS A 112 ? 1.6071 1.2600 0.8156 0.0542 -0.1672 -0.0792 113 LYS A CD +772 C CE . LYS A 112 ? 1.6035 1.2513 0.8386 0.0499 -0.1963 -0.0927 113 LYS A CE +773 N NZ . LYS A 112 ? 1.6374 1.2628 0.8419 0.0552 -0.1949 -0.1119 113 LYS A NZ +774 N N . TYR A 113 ? 1.4780 1.1890 0.7266 0.0510 -0.1190 -0.0061 114 TYR A N +775 C CA . TYR A 113 ? 1.4368 1.1515 0.6750 0.0542 -0.0992 0.0101 114 TYR A CA +776 C C . TYR A 113 ? 1.4496 1.1531 0.6515 0.0614 -0.0703 0.0080 114 TYR A C +777 O O . TYR A 113 ? 1.4626 1.1602 0.6581 0.0625 -0.0660 -0.0065 114 TYR A O +778 C CB . TYR A 113 ? 1.3416 1.0864 0.6419 0.0473 -0.0909 0.0195 114 TYR A CB +779 C CG . TYR A 113 ? 1.2931 1.0468 0.6285 0.0415 -0.1166 0.0228 114 TYR A CG +780 C CD1 . TYR A 113 ? 1.2620 1.0218 0.6288 0.0362 -0.1338 0.0127 114 TYR A CD1 +781 C CD2 . TYR A 113 ? 1.2933 1.0492 0.6354 0.0415 -0.1230 0.0370 114 TYR A CD2 +782 C CE1 . TYR A 113 ? 1.2373 1.0064 0.6444 0.0311 -0.1546 0.0167 114 TYR A CE1 +783 C CE2 . TYR A 113 ? 1.2565 1.0216 0.6383 0.0363 -0.1448 0.0404 114 TYR A CE2 +784 C CZ . TYR A 113 ? 1.2296 1.0014 0.6448 0.0312 -0.1600 0.0303 114 TYR A CZ +785 O OH . TYR A 113 ? 1.1935 0.9731 0.6502 0.0269 -0.1796 0.0351 114 TYR A OH +786 N N . ALA A 114 ? 1.4573 1.1573 0.6389 0.0665 -0.0510 0.0225 115 ALA A N +787 C CA . ALA A 114 ? 1.5036 1.1937 0.6560 0.0741 -0.0191 0.0246 115 ALA A CA +788 C C . ALA A 114 ? 1.4505 1.1624 0.6525 0.0700 0.0005 0.0200 115 ALA A C +789 O O . ALA A 114 ? 1.5130 1.2161 0.6993 0.0750 0.0203 0.0132 115 ALA A O +790 C CB . ALA A 114 ? 1.5173 1.2051 0.6552 0.0787 -0.0023 0.0447 115 ALA A CB +791 N N . ALA A 115 ? 1.3801 1.1177 0.6386 0.0617 -0.0050 0.0239 116 ALA A N +792 C CA . ALA A 115 ? 1.3503 1.1093 0.6574 0.0572 0.0114 0.0229 116 ALA A CA +793 C C . ALA A 115 ? 1.3075 1.0886 0.6644 0.0482 -0.0038 0.0220 116 ALA A C +794 O O . ALA A 115 ? 1.2886 1.0703 0.6480 0.0456 -0.0241 0.0246 116 ALA A O +795 C CB . ALA A 115 ? 1.3376 1.1008 0.6522 0.0608 0.0375 0.0368 116 ALA A CB +796 N N . GLU A 116 ? 1.2358 1.0327 0.6299 0.0439 0.0058 0.0183 117 GLU A N +797 C CA . GLU A 116 ? 1.1750 0.9921 0.6144 0.0362 -0.0021 0.0174 117 GLU A CA +798 C C . GLU A 116 ? 1.1055 0.9356 0.5745 0.0347 0.0158 0.0228 117 GLU A C +799 O O . GLU A 116 ? 1.1392 0.9659 0.6054 0.0375 0.0313 0.0217 117 GLU A O +800 C CB . GLU A 116 ? 1.1877 1.0071 0.6378 0.0323 -0.0137 0.0053 117 GLU A CB +801 C CG . GLU A 116 ? 1.1844 1.0211 0.6734 0.0254 -0.0228 0.0057 117 GLU A CG +802 C CD . GLU A 116 ? 1.2138 1.0518 0.7146 0.0218 -0.0368 -0.0031 117 GLU A CD +803 O OE1 . GLU A 116 ? 1.2232 1.0469 0.7010 0.0244 -0.0449 -0.0109 117 GLU A OE1 +804 O OE2 . GLU A 116 ? 1.2673 1.1194 0.8004 0.0167 -0.0390 -0.0022 117 GLU A OE2 +805 N N . LEU A 117 ? 1.0246 0.8678 0.5222 0.0308 0.0134 0.0285 118 LEU A N +806 C CA . LEU A 117 ? 1.0050 0.8601 0.5345 0.0285 0.0251 0.0320 118 LEU A CA +807 C C . LEU A 117 ? 0.9197 0.7869 0.4756 0.0221 0.0167 0.0249 118 LEU A C +808 O O . LEU A 117 ? 0.8651 0.7357 0.4253 0.0195 0.0043 0.0226 118 LEU A O +809 C CB . LEU A 117 ? 1.0380 0.8952 0.5761 0.0298 0.0289 0.0434 118 LEU A CB +810 C CG . LEU A 117 ? 1.0693 0.9397 0.6453 0.0254 0.0299 0.0444 118 LEU A CG +811 C CD1 . LEU A 117 ? 1.0936 0.9665 0.6873 0.0256 0.0430 0.0456 118 LEU A CD1 +812 C CD2 . LEU A 117 ? 1.0995 0.9717 0.6856 0.0261 0.0283 0.0538 118 LEU A CD2 +813 N N . HIS A 118 ? 0.8621 0.7344 0.4345 0.0201 0.0230 0.0218 119 HIS A N +814 C CA . HIS A 118 ? 0.8512 0.7321 0.4412 0.0148 0.0160 0.0157 119 HIS A CA +815 C C . HIS A 118 ? 0.7502 0.6385 0.3642 0.0122 0.0195 0.0178 119 HIS A C +816 O O . HIS A 118 ? 0.6997 0.5874 0.3230 0.0126 0.0262 0.0191 119 HIS A O +817 C CB . HIS A 118 ? 0.8930 0.7708 0.4784 0.0145 0.0164 0.0096 119 HIS A CB +818 C CG . HIS A 118 ? 0.9511 0.8219 0.5180 0.0156 0.0078 0.0044 119 HIS A CG +819 N ND1 . HIS A 118 ? 1.0324 0.8962 0.5902 0.0171 0.0090 -0.0014 119 HIS A ND1 +820 C CD2 . HIS A 118 ? 0.9889 0.8579 0.5482 0.0153 -0.0036 0.0037 119 HIS A CD2 +821 C CE1 . HIS A 118 ? 1.0604 0.9176 0.6043 0.0176 -0.0024 -0.0065 119 HIS A CE1 +822 N NE2 . HIS A 118 ? 1.0217 0.8822 0.5674 0.0163 -0.0110 -0.0029 119 HIS A NE2 +823 N N . LEU A 119 ? 0.7221 0.6157 0.3468 0.0100 0.0147 0.0179 120 LEU A N +824 C CA . LEU A 119 ? 0.7519 0.6495 0.3958 0.0076 0.0155 0.0171 120 LEU A CA +825 C C . LEU A 119 ? 0.7171 0.6172 0.3621 0.0040 0.0105 0.0110 120 LEU A C +826 O O . LEU A 119 ? 0.7026 0.6050 0.3442 0.0027 0.0068 0.0083 120 LEU A O +827 C CB . LEU A 119 ? 0.7714 0.6713 0.4252 0.0077 0.0139 0.0186 120 LEU A CB +828 C CG . LEU A 119 ? 0.7967 0.6943 0.4527 0.0111 0.0184 0.0270 120 LEU A CG +829 C CD1 . LEU A 119 ? 0.8293 0.7277 0.4827 0.0118 0.0134 0.0288 120 LEU A CD1 +830 C CD2 . LEU A 119 ? 0.7908 0.6892 0.4696 0.0110 0.0218 0.0298 120 LEU A CD2 +831 N N . VAL A 120 ? 0.6891 0.5882 0.3407 0.0026 0.0108 0.0103 121 VAL A N +832 C CA . VAL A 120 ? 0.7175 0.6173 0.3673 -0.0005 0.0057 0.0067 121 VAL A CA +833 C C . VAL A 120 ? 0.7192 0.6182 0.3726 -0.0029 0.0007 0.0038 121 VAL A C +834 O O . VAL A 120 ? 0.7527 0.6494 0.4180 -0.0029 -0.0010 0.0043 121 VAL A O +835 C CB . VAL A 120 ? 0.7225 0.6203 0.3788 -0.0005 0.0075 0.0082 121 VAL A CB +836 C CG1 . VAL A 120 ? 0.7077 0.6057 0.3643 -0.0038 0.0013 0.0065 121 VAL A CG1 +837 C CG2 . VAL A 120 ? 0.7343 0.6294 0.3818 0.0029 0.0139 0.0090 121 VAL A CG2 +838 N N . HIS A 121 ? 0.7135 0.6126 0.3568 -0.0044 -0.0014 0.0009 122 HIS A N +839 C CA . HIS A 121 ? 0.7496 0.6442 0.3875 -0.0056 -0.0054 -0.0029 122 HIS A CA +840 C C . HIS A 121 ? 0.7538 0.6462 0.3794 -0.0078 -0.0084 -0.0027 122 HIS A C +841 O O . HIS A 121 ? 0.7894 0.6859 0.4139 -0.0082 -0.0055 0.0000 122 HIS A O +842 C CB . HIS A 121 ? 0.7590 0.6535 0.3934 -0.0040 -0.0013 -0.0064 122 HIS A CB +843 C CG . HIS A 121 ? 0.7747 0.6725 0.4214 -0.0018 0.0020 -0.0047 122 HIS A CG +844 N ND1 . HIS A 121 ? 0.7360 0.6384 0.3850 -0.0007 0.0045 -0.0001 122 HIS A ND1 +845 C CD2 . HIS A 121 ? 0.7701 0.6660 0.4268 -0.0004 0.0022 -0.0065 122 HIS A CD2 +846 C CE1 . HIS A 121 ? 0.7498 0.6530 0.4074 0.0012 0.0062 0.0019 122 HIS A CE1 +847 N NE2 . HIS A 121 ? 0.7422 0.6424 0.4072 0.0013 0.0055 -0.0014 122 HIS A NE2 +848 N N . TRP A 122 ? 0.7638 0.6487 0.3802 -0.0091 -0.0151 -0.0051 123 TRP A N +849 C CA . TRP A 122 ? 0.7930 0.6738 0.3936 -0.0109 -0.0186 -0.0030 123 TRP A CA +850 C C . TRP A 122 ? 0.8058 0.6777 0.3824 -0.0098 -0.0173 -0.0074 123 TRP A C +851 O O . TRP A 122 ? 0.8064 0.6716 0.3805 -0.0086 -0.0212 -0.0139 123 TRP A O +852 C CB . TRP A 122 ? 0.7828 0.6595 0.3900 -0.0134 -0.0300 -0.0001 123 TRP A CB +853 C CG . TRP A 122 ? 0.7891 0.6577 0.4007 -0.0138 -0.0409 -0.0040 123 TRP A CG +854 C CD1 . TRP A 122 ? 0.7902 0.6610 0.4267 -0.0133 -0.0425 -0.0043 123 TRP A CD1 +855 C CD2 . TRP A 122 ? 0.8147 0.6703 0.4064 -0.0146 -0.0528 -0.0076 123 TRP A CD2 +856 N NE1 . TRP A 122 ? 0.8012 0.6622 0.4404 -0.0142 -0.0557 -0.0081 123 TRP A NE1 +857 C CE2 . TRP A 122 ? 0.8248 0.6754 0.4343 -0.0151 -0.0636 -0.0111 123 TRP A CE2 +858 C CE3 . TRP A 122 ? 0.8631 0.7093 0.4222 -0.0147 -0.0552 -0.0079 123 TRP A CE3 +859 C CZ2 . TRP A 122 ? 0.8677 0.7032 0.4630 -0.0158 -0.0798 -0.0167 123 TRP A CZ2 +860 C CZ3 . TRP A 122 ? 0.8946 0.7248 0.4333 -0.0150 -0.0696 -0.0130 123 TRP A CZ3 +861 C CH2 . TRP A 122 ? 0.8977 0.7222 0.4542 -0.0156 -0.0832 -0.0183 123 TRP A CH2 +862 N N . ASN A 123 ? 0.8136 0.6843 0.3741 -0.0098 -0.0118 -0.0038 124 ASN A N +863 C CA . ASN A 123 ? 0.8761 0.7377 0.4096 -0.0075 -0.0048 -0.0068 124 ASN A CA +864 C C . ASN A 123 ? 0.8892 0.7344 0.3949 -0.0079 -0.0170 -0.0103 124 ASN A C +865 O O . ASN A 123 ? 0.8713 0.7134 0.3700 -0.0103 -0.0255 -0.0039 124 ASN A O +866 C CB . ASN A 123 ? 0.8941 0.7603 0.4241 -0.0072 0.0068 0.0009 124 ASN A CB +867 C CG . ASN A 123 ? 0.9624 0.8185 0.4647 -0.0039 0.0185 -0.0007 124 ASN A CG +868 O OD1 . ASN A 123 ? 1.0098 0.8521 0.4869 -0.0022 0.0139 -0.0081 124 ASN A OD1 +869 N ND2 . ASN A 123 ? 0.9903 0.8519 0.4976 -0.0026 0.0335 0.0059 124 ASN A ND2 +870 N N . THR A 124 ? 0.8950 0.7289 0.3860 -0.0055 -0.0194 -0.0202 125 THR A N +871 C CA . THR A 124 ? 0.9557 0.7705 0.4187 -0.0055 -0.0350 -0.0263 125 THR A CA +872 C C . THR A 124 ? 0.9929 0.7954 0.4151 -0.0045 -0.0328 -0.0216 125 THR A C +873 O O . THR A 124 ? 0.9873 0.7778 0.3922 -0.0064 -0.0504 -0.0201 125 THR A O +874 C CB . THR A 124 ? 0.9672 0.7710 0.4229 -0.0024 -0.0368 -0.0398 125 THR A CB +875 O OG1 . THR A 124 ? 0.9660 0.7689 0.4088 0.0019 -0.0170 -0.0439 125 THR A OG1 +876 C CG2 . THR A 124 ? 0.9441 0.7575 0.4402 -0.0038 -0.0426 -0.0421 125 THR A CG2 +877 N N . LYS A 125 ? 1.0066 0.8125 0.4175 -0.0018 -0.0125 -0.0173 126 LYS A N +878 C CA . LYS A 125 ? 1.0645 0.8633 0.4454 -0.0011 -0.0063 -0.0075 126 LYS A CA +879 C C . LYS A 125 ? 1.0887 0.8842 0.4679 -0.0056 -0.0267 0.0003 126 LYS A C +880 O O . LYS A 125 ? 1.2141 0.9920 0.5525 -0.0047 -0.0334 0.0033 126 LYS A O +881 C CB . LYS A 125 ? 1.0794 0.8942 0.4817 -0.0005 0.0147 0.0019 126 LYS A CB +882 C CG . LYS A 125 ? 1.1768 0.9879 0.5594 -0.0003 0.0231 0.0153 126 LYS A CG +883 C CD . LYS A 125 ? 1.2033 1.0298 0.6136 0.0002 0.0433 0.0250 126 LYS A CD +884 C CE . LYS A 125 ? 1.2431 1.0728 0.6628 0.0045 0.0623 0.0185 126 LYS A CE +885 N NZ . LYS A 125 ? 1.3111 1.1468 0.7419 0.0066 0.0845 0.0301 126 LYS A NZ +886 N N . TYR A 126 ? 1.0478 0.8573 0.4672 -0.0097 -0.0367 0.0034 127 TYR A N +887 C CA . TYR A 126 ? 1.0696 0.8811 0.5005 -0.0139 -0.0512 0.0136 127 TYR A CA +888 C C . TYR A 126 ? 1.0862 0.8909 0.5289 -0.0167 -0.0753 0.0093 127 TYR A C +889 O O . TYR A 126 ? 1.1221 0.9271 0.5778 -0.0201 -0.0889 0.0177 127 TYR A O +890 C CB . TYR A 126 ? 1.0453 0.8768 0.5157 -0.0160 -0.0424 0.0212 127 TYR A CB +891 C CG . TYR A 126 ? 1.0493 0.8877 0.5171 -0.0142 -0.0224 0.0275 127 TYR A CG +892 C CD1 . TYR A 126 ? 1.0842 0.9140 0.5240 -0.0133 -0.0170 0.0367 127 TYR A CD1 +893 C CD2 . TYR A 126 ? 1.0474 0.8998 0.5415 -0.0133 -0.0093 0.0253 127 TYR A CD2 +894 C CE1 . TYR A 126 ? 1.0962 0.9323 0.5390 -0.0115 0.0026 0.0440 127 TYR A CE1 +895 C CE2 . TYR A 126 ? 1.0660 0.9245 0.5643 -0.0118 0.0072 0.0316 127 TYR A CE2 +896 C CZ . TYR A 126 ? 1.0832 0.9343 0.5584 -0.0109 0.0143 0.0413 127 TYR A CZ +897 O OH . TYR A 126 ? 1.1320 0.9888 0.6159 -0.0094 0.0320 0.0496 127 TYR A OH +898 N N . GLY A 127 ? 1.0744 0.8731 0.5182 -0.0154 -0.0814 -0.0024 128 GLY A N +899 C CA . GLY A 127 ? 1.1382 0.9235 0.5834 -0.0175 -0.1071 -0.0064 128 GLY A CA +900 C C . GLY A 127 ? 1.1275 0.9244 0.6243 -0.0209 -0.1173 -0.0030 128 GLY A C +901 O O . GLY A 127 ? 1.1664 0.9540 0.6750 -0.0223 -0.1369 -0.0077 128 GLY A O +902 N N . ASP A 128 ? 1.1188 0.9336 0.6461 -0.0221 -0.1051 0.0045 129 ASP A N +903 C CA . ASP A 128 ? 1.0812 0.9090 0.6559 -0.0229 -0.1031 0.0048 129 ASP A CA +904 C C . ASP A 128 ? 0.9930 0.8371 0.5846 -0.0226 -0.0853 0.0107 129 ASP A C +905 O O . ASP A 128 ? 0.9136 0.7592 0.4862 -0.0225 -0.0778 0.0154 129 ASP A O +906 C CB . ASP A 128 ? 1.1440 0.9671 0.7479 -0.0260 -0.1236 0.0084 129 ASP A CB +907 C CG . ASP A 128 ? 1.2500 1.0699 0.8531 -0.0289 -0.1349 0.0184 129 ASP A CG +908 O OD1 . ASP A 128 ? 1.3202 1.1454 0.9087 -0.0287 -0.1235 0.0242 129 ASP A OD1 +909 O OD2 . ASP A 128 ? 1.3307 1.1426 0.9519 -0.0316 -0.1562 0.0212 129 ASP A OD2 +910 N N . PHE A 129 ? 0.9310 0.7852 0.5563 -0.0220 -0.0789 0.0104 130 PHE A N +911 C CA . PHE A 129 ? 0.8936 0.7607 0.5349 -0.0209 -0.0636 0.0135 130 PHE A CA +912 C C . PHE A 129 ? 0.9194 0.7882 0.5649 -0.0230 -0.0660 0.0209 130 PHE A C +913 O O . PHE A 129 ? 0.8917 0.7667 0.5320 -0.0224 -0.0555 0.0227 130 PHE A O +914 C CB . PHE A 129 ? 0.8720 0.7444 0.5465 -0.0198 -0.0599 0.0133 130 PHE A CB +915 C CG . PHE A 129 ? 0.8509 0.7324 0.5363 -0.0178 -0.0451 0.0148 130 PHE A CG +916 C CD1 . PHE A 129 ? 0.8225 0.7086 0.4970 -0.0151 -0.0333 0.0114 130 PHE A CD1 +917 C CD2 . PHE A 129 ? 0.8288 0.7126 0.5346 -0.0183 -0.0443 0.0192 130 PHE A CD2 +918 C CE1 . PHE A 129 ? 0.7981 0.6894 0.4776 -0.0130 -0.0226 0.0117 130 PHE A CE1 +919 C CE2 . PHE A 129 ? 0.8066 0.6956 0.5174 -0.0157 -0.0312 0.0184 130 PHE A CE2 +920 C CZ . PHE A 129 ? 0.7861 0.6780 0.4816 -0.0130 -0.0214 0.0144 130 PHE A CZ +921 N N . GLY A 130 ? 0.9448 0.8078 0.6037 -0.0255 -0.0810 0.0255 131 GLY A N +922 C CA . GLY A 130 ? 0.9062 0.7693 0.5748 -0.0279 -0.0869 0.0339 131 GLY A CA +923 C C . GLY A 130 ? 0.9035 0.7647 0.5414 -0.0284 -0.0838 0.0378 131 GLY A C +924 O O . GLY A 130 ? 0.9178 0.7852 0.5658 -0.0289 -0.0774 0.0429 131 GLY A O +925 N N . LYS A 131 ? 0.9182 0.7700 0.5206 -0.0277 -0.0871 0.0355 132 LYS A N +926 C CA . LYS A 131 ? 0.9525 0.7994 0.5227 -0.0276 -0.0834 0.0415 132 LYS A CA +927 C C . LYS A 131 ? 0.9319 0.7880 0.4975 -0.0250 -0.0630 0.0378 132 LYS A C +928 O O . LYS A 131 ? 0.9532 0.8130 0.5155 -0.0251 -0.0544 0.0447 132 LYS A O +929 C CB . LYS A 131 ? 1.0076 0.8366 0.5400 -0.0277 -0.0975 0.0410 132 LYS A CB +930 C CG . LYS A 131 ? 1.0368 0.8559 0.5335 -0.0277 -0.0981 0.0507 132 LYS A CG +931 N N . ALA A 132 ? 0.9443 0.8043 0.5148 -0.0228 -0.0563 0.0285 133 ALA A N +932 C CA . ALA A 132 ? 0.9242 0.7931 0.4962 -0.0204 -0.0396 0.0252 133 ALA A CA +933 C C . ALA A 132 ? 0.8992 0.7788 0.4965 -0.0212 -0.0341 0.0291 133 ALA A C +934 O O . ALA A 132 ? 0.9184 0.8025 0.5139 -0.0204 -0.0242 0.0314 133 ALA A O +935 C CB . ALA A 132 ? 0.9160 0.7875 0.4946 -0.0183 -0.0359 0.0163 133 ALA A CB +936 N N . VAL A 133 ? 0.8884 0.7709 0.5100 -0.0223 -0.0397 0.0292 134 VAL A N +937 C CA . VAL A 133 ? 0.8906 0.7810 0.5337 -0.0218 -0.0335 0.0290 134 VAL A CA +938 C C . VAL A 133 ? 0.8814 0.7727 0.5273 -0.0237 -0.0339 0.0370 134 VAL A C +939 O O . VAL A 133 ? 0.8155 0.7121 0.4757 -0.0234 -0.0290 0.0366 134 VAL A O +940 C CB . VAL A 133 ? 0.9116 0.8034 0.5785 -0.0212 -0.0351 0.0264 134 VAL A CB +941 C CG1 . VAL A 133 ? 0.9190 0.8124 0.5858 -0.0183 -0.0289 0.0196 134 VAL A CG1 +942 C CG2 . VAL A 133 ? 0.9043 0.7914 0.5842 -0.0233 -0.0463 0.0308 134 VAL A CG2 +943 N N . GLN A 134 ? 0.9195 0.8045 0.5500 -0.0255 -0.0399 0.0442 135 GLN A N +944 C CA . GLN A 134 ? 0.9018 0.7869 0.5359 -0.0274 -0.0403 0.0547 135 GLN A CA +945 C C . GLN A 134 ? 0.9014 0.7884 0.5219 -0.0261 -0.0283 0.0579 135 GLN A C +946 O O . GLN A 134 ? 0.9454 0.8343 0.5752 -0.0273 -0.0259 0.0672 135 GLN A O +947 C CB . GLN A 134 ? 0.9615 0.8378 0.5873 -0.0297 -0.0538 0.0626 135 GLN A CB +948 C CG . GLN A 134 ? 0.9846 0.8618 0.6396 -0.0311 -0.0639 0.0611 135 GLN A CG +949 C CD . GLN A 134 ? 1.0239 0.9089 0.7095 -0.0312 -0.0582 0.0614 135 GLN A CD +950 O OE1 . GLN A 134 ? 1.0891 0.9761 0.7786 -0.0323 -0.0555 0.0688 135 GLN A OE1 +951 N NE2 . GLN A 134 ? 1.0410 0.9296 0.7478 -0.0296 -0.0553 0.0531 135 GLN A NE2 +952 N N . GLN A 135 ? 0.9016 0.7891 0.5082 -0.0235 -0.0201 0.0511 136 GLN A N +953 C CA . GLN A 135 ? 0.9236 0.8130 0.5227 -0.0218 -0.0064 0.0549 136 GLN A CA +954 C C . GLN A 135 ? 0.9327 0.8313 0.5536 -0.0206 0.0001 0.0489 136 GLN A C +955 O O . GLN A 135 ? 0.8642 0.7652 0.4925 -0.0199 -0.0038 0.0400 136 GLN A O +956 C CB . GLN A 135 ? 0.9671 0.8478 0.5326 -0.0193 -0.0010 0.0522 136 GLN A CB +957 C CG . GLN A 135 ? 1.0128 0.8811 0.5521 -0.0201 -0.0136 0.0524 136 GLN A CG +958 C CD . GLN A 135 ? 0.9946 0.8573 0.5252 -0.0220 -0.0181 0.0656 136 GLN A CD +959 O OE1 . GLN A 135 ? 0.9618 0.8260 0.4905 -0.0213 -0.0061 0.0752 136 GLN A OE1 +960 N NE2 . GLN A 135 ? 0.9774 0.8342 0.5080 -0.0245 -0.0353 0.0673 136 GLN A NE2 +961 N N . PRO A 136 ? 0.9460 0.8489 0.5774 -0.0199 0.0105 0.0546 137 PRO A N +962 C CA . PRO A 136 ? 0.9340 0.8442 0.5869 -0.0188 0.0144 0.0498 137 PRO A CA +963 C C . PRO A 136 ? 0.9378 0.8474 0.5791 -0.0161 0.0185 0.0414 137 PRO A C +964 O O . PRO A 136 ? 1.0072 0.9209 0.6626 -0.0156 0.0147 0.0351 137 PRO A O +965 C CB . PRO A 136 ? 0.9391 0.8527 0.6070 -0.0184 0.0260 0.0600 137 PRO A CB +966 C CG . PRO A 136 ? 0.9592 0.8680 0.6155 -0.0198 0.0276 0.0716 137 PRO A CG +967 C CD . PRO A 136 ? 0.9560 0.8563 0.5809 -0.0200 0.0190 0.0674 137 PRO A CD +968 N N . ASP A 137 ? 0.8980 0.8011 0.5137 -0.0143 0.0254 0.0415 138 ASP A N +969 C CA . ASP A 137 ? 0.8963 0.7972 0.5010 -0.0116 0.0295 0.0331 138 ASP A CA +970 C C . ASP A 137 ? 0.8961 0.7905 0.4830 -0.0120 0.0187 0.0261 138 ASP A C +971 O O . ASP A 137 ? 0.9289 0.8170 0.4985 -0.0099 0.0210 0.0201 138 ASP A O +972 C CB . ASP A 137 ? 0.9396 0.8355 0.5292 -0.0085 0.0452 0.0359 138 ASP A CB +973 C CG . ASP A 137 ? 1.0062 0.8896 0.5591 -0.0077 0.0471 0.0393 138 ASP A CG +974 O OD1 . ASP A 137 ? 1.0144 0.8953 0.5618 -0.0105 0.0373 0.0448 138 ASP A OD1 +975 O OD2 . ASP A 137 ? 1.0321 0.9066 0.5609 -0.0041 0.0580 0.0363 138 ASP A OD2 +976 N N . GLY A 138 ? 0.8429 0.7386 0.4383 -0.0144 0.0076 0.0263 139 GLY A N +977 C CA . GLY A 138 ? 0.8411 0.7313 0.4286 -0.0151 -0.0029 0.0217 139 GLY A CA +978 C C . GLY A 138 ? 0.8372 0.7297 0.4326 -0.0136 -0.0040 0.0139 139 GLY A C +979 O O . GLY A 138 ? 0.8815 0.7677 0.4659 -0.0128 -0.0075 0.0093 139 GLY A O +980 N N . LEU A 139 ? 0.8093 0.7088 0.4225 -0.0131 -0.0027 0.0127 140 LEU A N +981 C CA . LEU A 139 ? 0.7717 0.6728 0.3912 -0.0113 -0.0030 0.0077 140 LEU A CA +982 C C . LEU A 139 ? 0.7714 0.6768 0.3961 -0.0095 0.0027 0.0066 140 LEU A C +983 O O . LEU A 139 ? 0.8201 0.7288 0.4516 -0.0100 0.0049 0.0096 140 LEU A O +984 C CB . LEU A 139 ? 0.7638 0.6664 0.3946 -0.0112 -0.0062 0.0075 140 LEU A CB +985 C CG . LEU A 139 ? 0.7680 0.6676 0.4041 -0.0129 -0.0117 0.0095 140 LEU A CG +986 C CD1 . LEU A 139 ? 0.7486 0.6482 0.3953 -0.0109 -0.0101 0.0077 140 LEU A CD1 +987 C CD2 . LEU A 139 ? 0.7749 0.6690 0.4031 -0.0142 -0.0175 0.0100 140 LEU A CD2 +988 N N . ALA A 140 ? 0.7554 0.6606 0.3811 -0.0076 0.0038 0.0033 141 ALA A N +989 C CA . ALA A 140 ? 0.7583 0.6673 0.3929 -0.0058 0.0065 0.0030 141 ALA A CA +990 C C . ALA A 140 ? 0.7628 0.6714 0.3999 -0.0044 0.0031 0.0024 141 ALA A C +991 O O . ALA A 140 ? 0.7981 0.7041 0.4336 -0.0039 0.0029 0.0013 141 ALA A O +992 C CB . ALA A 140 ? 0.7634 0.6709 0.3962 -0.0043 0.0123 0.0006 141 ALA A CB +993 N N . VAL A 141 ? 0.7669 0.6763 0.4065 -0.0035 0.0001 0.0034 142 VAL A N +994 C CA . VAL A 141 ? 0.7806 0.6868 0.4155 -0.0012 -0.0010 0.0037 142 VAL A CA +995 C C . VAL A 141 ? 0.7767 0.6831 0.4135 0.0006 -0.0032 0.0054 142 VAL A C +996 O O . VAL A 141 ? 0.7798 0.6872 0.4212 0.0002 -0.0081 0.0055 142 VAL A O +997 C CB . VAL A 141 ? 0.7976 0.7001 0.4264 -0.0006 -0.0032 0.0027 142 VAL A CB +998 C CG1 . VAL A 141 ? 0.8288 0.7259 0.4477 0.0029 -0.0010 0.0036 142 VAL A CG1 +999 C CG2 . VAL A 141 ? 0.8159 0.7183 0.4476 -0.0026 -0.0019 0.0022 142 VAL A CG2 +1000 N N . LEU A 142 ? 0.7793 0.6848 0.4166 0.0024 -0.0007 0.0074 143 LEU A N +1001 C CA . LEU A 142 ? 0.8100 0.7156 0.4517 0.0041 -0.0036 0.0105 143 LEU A CA +1002 C C . LEU A 142 ? 0.8028 0.7018 0.4288 0.0069 -0.0073 0.0136 143 LEU A C +1003 O O . LEU A 142 ? 0.7749 0.6703 0.3931 0.0091 -0.0017 0.0163 143 LEU A O +1004 C CB . LEU A 142 ? 0.8171 0.7243 0.4690 0.0046 0.0012 0.0113 143 LEU A CB +1005 C CG . LEU A 142 ? 0.8751 0.7825 0.5355 0.0065 -0.0009 0.0160 143 LEU A CG +1006 C CD1 . LEU A 142 ? 0.8989 0.8090 0.5691 0.0059 -0.0062 0.0162 143 LEU A CD1 +1007 C CD2 . LEU A 142 ? 0.8797 0.7882 0.5539 0.0069 0.0037 0.0154 143 LEU A CD2 +1008 N N . GLY A 143 ? 0.8119 0.7078 0.4324 0.0072 -0.0163 0.0128 144 GLY A N +1009 C CA . GLY A 143 ? 0.8592 0.7447 0.4565 0.0104 -0.0216 0.0134 144 GLY A CA +1010 C C . GLY A 143 ? 0.8416 0.7224 0.4322 0.0130 -0.0275 0.0199 144 GLY A C +1011 O O . GLY A 143 ? 0.8211 0.7044 0.4261 0.0116 -0.0376 0.0213 144 GLY A O +1012 N N . ILE A 144 ? 0.8473 0.7211 0.4190 0.0167 -0.0213 0.0248 145 ILE A N +1013 C CA . ILE A 144 ? 0.9043 0.7719 0.4658 0.0198 -0.0261 0.0336 145 ILE A CA +1014 C C . ILE A 144 ? 0.9411 0.7921 0.4620 0.0248 -0.0287 0.0350 145 ILE A C +1015 O O . ILE A 144 ? 0.9332 0.7785 0.4362 0.0280 -0.0152 0.0351 145 ILE A O +1016 C CB . ILE A 144 ? 0.8898 0.7632 0.4669 0.0204 -0.0142 0.0409 145 ILE A CB +1017 C CG1 . ILE A 144 ? 0.8594 0.7453 0.4696 0.0163 -0.0120 0.0369 145 ILE A CG1 +1018 C CG2 . ILE A 144 ? 0.9091 0.7771 0.4802 0.0233 -0.0186 0.0519 145 ILE A CG2 +1019 C CD1 . ILE A 144 ? 0.8541 0.7441 0.4829 0.0167 -0.0040 0.0424 145 ILE A CD1 +1020 N N . PHE A 145 ? 0.9937 0.8354 0.4996 0.0260 -0.0454 0.0370 146 PHE A N +1021 C CA . PHE A 145 ? 1.0471 0.8688 0.5059 0.0316 -0.0500 0.0378 146 PHE A CA +1022 C C . PHE A 145 ? 1.0813 0.8960 0.5200 0.0366 -0.0391 0.0508 146 PHE A C +1023 O O . PHE A 145 ? 1.0602 0.8839 0.5233 0.0353 -0.0370 0.0607 146 PHE A O +1024 C CB . PHE A 145 ? 1.0431 0.8554 0.4933 0.0309 -0.0759 0.0351 146 PHE A CB +1025 C CG . PHE A 145 ? 1.0045 0.8218 0.4751 0.0266 -0.0861 0.0234 146 PHE A CG +1026 C CD1 . PHE A 145 ? 1.0131 0.8237 0.4663 0.0278 -0.0814 0.0128 146 PHE A CD1 +1027 C CD2 . PHE A 145 ? 0.9836 0.8118 0.4936 0.0218 -0.0992 0.0238 146 PHE A CD2 +1028 C CE1 . PHE A 145 ? 1.0053 0.8200 0.4797 0.0239 -0.0914 0.0035 146 PHE A CE1 +1029 C CE2 . PHE A 145 ? 0.9760 0.8085 0.5075 0.0181 -0.1070 0.0152 146 PHE A CE2 +1030 C CZ . PHE A 145 ? 0.9769 0.8027 0.4906 0.0190 -0.1038 0.0054 146 PHE A CZ +1031 N N . LEU A 146 ? 1.1520 0.9493 0.5464 0.0427 -0.0312 0.0513 147 LEU A N +1032 C CA . LEU A 146 ? 1.2075 0.9927 0.5717 0.0490 -0.0215 0.0653 147 LEU A CA +1033 C C . LEU A 146 ? 1.2880 1.0490 0.5986 0.0539 -0.0385 0.0656 147 LEU A C +1034 O O . LEU A 146 ? 1.3337 1.0794 0.6089 0.0573 -0.0393 0.0542 147 LEU A O +1035 C CB . LEU A 146 ? 1.2025 0.9852 0.5570 0.0534 0.0064 0.0672 147 LEU A CB +1036 C CG . LEU A 146 ? 1.1693 0.9713 0.5718 0.0503 0.0228 0.0741 147 LEU A CG +1037 C CD1 . LEU A 146 ? 1.1319 0.9513 0.5754 0.0430 0.0170 0.0623 147 LEU A CD1 +1038 C CD2 . LEU A 146 ? 1.1771 0.9740 0.5716 0.0558 0.0499 0.0804 147 LEU A CD2 +1039 N N . LYS A 147 ? 1.3239 1.0809 0.6308 0.0541 -0.0533 0.0775 148 LYS A N +1040 C CA . LYS A 147 ? 1.3291 1.0604 0.5794 0.0601 -0.0674 0.0844 148 LYS A CA +1041 C C . LYS A 147 ? 1.3748 1.0991 0.6012 0.0667 -0.0425 0.1009 148 LYS A C +1042 O O . LYS A 147 ? 1.3044 1.0468 0.5733 0.0643 -0.0276 0.1112 148 LYS A O +1043 C CB . LYS A 147 ? 1.2854 1.0176 0.5521 0.0567 -0.0962 0.0921 148 LYS A CB +1044 N N . VAL A 148 ? 1.5355 1.2330 0.6958 0.0751 -0.0379 0.1034 149 VAL A N +1045 C CA . VAL A 148 ? 1.5681 1.2548 0.6984 0.0827 -0.0144 0.1228 149 VAL A CA +1046 C C . VAL A 148 ? 1.6079 1.2844 0.7206 0.0837 -0.0352 0.1401 149 VAL A C +1047 O O . VAL A 148 ? 1.5737 1.2339 0.6556 0.0834 -0.0679 0.1345 149 VAL A O +1048 C CB . VAL A 148 ? 1.5965 1.2584 0.6634 0.0924 0.0068 0.1181 149 VAL A CB +1049 C CG1 . VAL A 148 ? 1.6148 1.2551 0.6345 0.0942 -0.0152 0.0979 149 VAL A CG1 +1050 C CG2 . VAL A 148 ? 1.6658 1.3087 0.6860 0.1014 0.0238 0.1397 149 VAL A CG2 +1051 N N . GLY A 149 ? 1.6675 1.3540 0.8055 0.0844 -0.0192 0.1606 150 GLY A N +1052 C CA . GLY A 149 ? 1.7482 1.4363 0.9009 0.0827 -0.0363 0.1792 150 GLY A CA +1053 C C . GLY A 149 ? 1.8338 1.5376 1.0283 0.0829 -0.0106 0.1983 150 GLY A C +1054 O O . GLY A 149 ? 1.8374 1.5383 1.0201 0.0883 0.0214 0.2034 150 GLY A O +1055 N N . SER A 150 ? 1.9010 1.6205 1.1471 0.0775 -0.0234 0.2085 151 SER A N +1056 C CA . SER A 150 ? 1.9532 1.6901 1.2530 0.0763 -0.0034 0.2244 151 SER A CA +1057 C C . SER A 150 ? 1.9477 1.6996 1.2794 0.0751 0.0242 0.2143 151 SER A C +1058 O O . SER A 150 ? 1.9820 1.7388 1.3153 0.0720 0.0207 0.1931 151 SER A O +1059 C CB . SER A 150 ? 1.9436 1.6984 1.3045 0.0691 -0.0233 0.2268 151 SER A CB +1060 O OG . SER A 150 ? 2.0146 1.7558 1.3532 0.0705 -0.0473 0.2411 151 SER A OG +1061 N N . ALA A 151 ? 1.9647 1.7233 1.3239 0.0773 0.0495 0.2299 152 ALA A N +1062 C CA . ALA A 151 ? 1.9337 1.7049 1.3272 0.0767 0.0757 0.2240 152 ALA A CA +1063 C C . ALA A 151 ? 1.8585 1.6529 1.3131 0.0677 0.0651 0.2062 152 ALA A C +1064 O O . ALA A 151 ? 1.8783 1.6796 1.3522 0.0625 0.0417 0.2008 152 ALA A O +1065 C CB . ALA A 151 ? 1.9157 1.6882 1.3321 0.0808 0.1011 0.2472 152 ALA A CB +1066 N N . LYS A 152 ? 1.7391 1.5437 1.2223 0.0662 0.0821 0.1975 153 LYS A N +1067 C CA . LYS A 152 ? 1.6108 1.4350 1.1481 0.0583 0.0745 0.1815 153 LYS A CA +1068 C C . LYS A 152 ? 1.5527 1.3870 1.1394 0.0579 0.0938 0.1886 153 LYS A C +1069 O O . LYS A 152 ? 1.4483 1.2810 1.0335 0.0604 0.1120 0.1873 153 LYS A O +1070 C CB . LYS A 152 ? 1.5815 1.4061 1.1004 0.0559 0.0677 0.1598 153 LYS A CB +1071 C CG . LYS A 152 ? 1.4922 1.3332 1.0522 0.0482 0.0544 0.1431 153 LYS A CG +1072 C CD . LYS A 152 ? 1.4473 1.2914 1.0142 0.0447 0.0319 0.1403 153 LYS A CD +1073 C CE . LYS A 152 ? 1.3839 1.2440 0.9996 0.0384 0.0261 0.1292 153 LYS A CE +1074 N NZ . LYS A 152 ? 1.3600 1.2234 0.9858 0.0354 0.0070 0.1252 153 LYS A NZ +1075 N N . PRO A 153 ? 1.5265 1.3707 1.1612 0.0549 0.0897 0.1965 154 PRO A N +1076 C CA . PRO A 153 ? 1.4722 1.3253 1.1602 0.0540 0.1040 0.2026 154 PRO A CA +1077 C C . PRO A 153 ? 1.4027 1.2659 1.1174 0.0488 0.1012 0.1821 154 PRO A C +1078 O O . PRO A 153 ? 1.4050 1.2702 1.1432 0.0497 0.1162 0.1848 154 PRO A O +1079 C CB . PRO A 153 ? 1.4558 1.3154 1.1853 0.0515 0.0942 0.2116 154 PRO A CB +1080 C CG . PRO A 153 ? 1.4612 1.3204 1.1701 0.0489 0.0715 0.2021 154 PRO A CG +1081 C CD . PRO A 153 ? 1.4877 1.3343 1.1323 0.0524 0.0700 0.1995 154 PRO A CD +1082 N N . GLY A 154 ? 1.3247 1.1930 1.0357 0.0439 0.0827 0.1635 155 GLY A N +1083 C CA . GLY A 154 ? 1.3135 1.1887 1.0372 0.0394 0.0787 0.1441 155 GLY A CA +1084 C C . GLY A 154 ? 1.3191 1.1892 1.0223 0.0424 0.0934 0.1433 155 GLY A C +1085 O O . GLY A 154 ? 1.3047 1.1793 1.0396 0.0410 0.1010 0.1411 155 GLY A O +1086 N N . LEU A 155 ? 1.3280 1.1873 0.9809 0.0467 0.0967 0.1456 156 LEU A N +1087 C CA . LEU A 155 ? 1.3183 1.1699 0.9442 0.0506 0.1112 0.1430 156 LEU A CA +1088 C C . LEU A 155 ? 1.2982 1.1466 0.9419 0.0558 0.1363 0.1600 156 LEU A C +1089 O O . LEU A 155 ? 1.2867 1.1347 0.9381 0.0571 0.1495 0.1567 156 LEU A O +1090 C CB . LEU A 155 ? 1.3635 1.2013 0.9288 0.0545 0.1058 0.1411 156 LEU A CB +1091 C CG . LEU A 155 ? 1.4024 1.2303 0.9317 0.0580 0.1143 0.1317 156 LEU A CG +1092 C CD1 . LEU A 155 ? 1.3748 1.2107 0.9386 0.0562 0.1263 0.1255 156 LEU A CD1 +1093 C CD2 . LEU A 155 ? 1.4245 1.2490 0.9229 0.0554 0.0930 0.1160 156 LEU A CD2 +1094 N N . GLN A 156 ? 1.3444 1.1908 0.9988 0.0587 0.1433 0.1787 157 GLN A N +1095 C CA . GLN A 156 ? 1.4161 1.2561 1.0778 0.0655 0.1710 0.1992 157 GLN A CA +1096 C C . GLN A 156 ? 1.3738 1.2233 1.0915 0.0633 0.1822 0.1972 157 GLN A C +1097 O O . GLN A 156 ? 1.4330 1.2763 1.1463 0.0687 0.2056 0.2038 157 GLN A O +1098 C CB . GLN A 156 ? 1.4416 1.2795 1.1129 0.0679 0.1740 0.2208 157 GLN A CB +1099 C CG . GLN A 156 ? 1.4756 1.3067 1.1558 0.0754 0.2048 0.2448 157 GLN A CG +1100 C CD . GLN A 156 ? 1.5480 1.3643 1.1786 0.0832 0.2273 0.2458 157 GLN A CD +1101 O OE1 . GLN A 156 ? 1.6062 1.4074 1.1694 0.0876 0.2240 0.2431 157 GLN A OE1 +1102 N NE2 . GLN A 156 ? 1.5176 1.3370 1.1830 0.0853 0.2497 0.2489 157 GLN A NE2 +1103 N N . LYS A 157 ? 1.3294 1.1917 1.0960 0.0559 0.1656 0.1873 158 LYS A N +1104 C CA . LYS A 157 ? 1.3427 1.2129 1.1666 0.0531 0.1706 0.1854 158 LYS A CA +1105 C C . LYS A 157 ? 1.2833 1.1512 1.0927 0.0539 0.1775 0.1745 158 LYS A C +1106 O O . LYS A 157 ? 1.2276 1.0990 1.0808 0.0536 0.1872 0.1777 158 LYS A O +1107 C CB . LYS A 157 ? 1.3891 1.2696 1.2542 0.0451 0.1466 0.1728 158 LYS A CB +1108 C CG . LYS A 157 ? 1.4226 1.3091 1.3456 0.0414 0.1447 0.1690 158 LYS A CG +1109 C CD . LYS A 157 ? 1.4313 1.3237 1.3982 0.0354 0.1238 0.1611 158 LYS A CD +1110 C CE . LYS A 157 ? 1.4379 1.3331 1.4293 0.0297 0.1076 0.1440 158 LYS A CE +1111 N NZ . LYS A 157 ? 1.4144 1.3098 1.4398 0.0309 0.1196 0.1509 158 LYS A NZ +1112 N N . VAL A 158 ? 1.3324 1.1941 1.0865 0.0549 0.1721 0.1627 159 VAL A N +1113 C CA . VAL A 158 ? 1.3716 1.2305 1.1094 0.0553 0.1757 0.1501 159 VAL A CA +1114 C C . VAL A 158 ? 1.4335 1.2794 1.1413 0.0645 0.2039 0.1607 159 VAL A C +1115 O O . VAL A 158 ? 1.4349 1.2814 1.1748 0.0669 0.2222 0.1659 159 VAL A O +1116 C CB . VAL A 158 ? 1.3780 1.2361 1.0746 0.0517 0.1546 0.1315 159 VAL A CB +1117 C CG1 . VAL A 158 ? 1.3650 1.2182 1.0411 0.0532 0.1600 0.1206 159 VAL A CG1 +1118 C CG2 . VAL A 158 ? 1.3678 1.2374 1.0915 0.0434 0.1302 0.1200 159 VAL A CG2 +1119 N N . VAL A 159 ? 1.5084 1.3415 1.1552 0.0696 0.2058 0.1624 160 VAL A N +1120 C CA . VAL A 159 ? 1.6066 1.4222 1.2098 0.0799 0.2330 0.1726 160 VAL A CA +1121 C C . VAL A 159 ? 1.6157 1.4336 1.2668 0.0842 0.2622 0.1909 160 VAL A C +1122 O O . VAL A 159 ? 1.6194 1.4337 1.2798 0.0880 0.2818 0.1890 160 VAL A O +1123 C CB . VAL A 159 ? 1.6791 1.4816 1.2261 0.0844 0.2291 0.1814 160 VAL A CB +1124 C CG1 . VAL A 159 ? 1.7328 1.5171 1.2440 0.0957 0.2608 0.1995 160 VAL A CG1 +1125 C CG2 . VAL A 159 ? 1.6954 1.4909 1.1901 0.0824 0.2050 0.1632 160 VAL A CG2 +1126 N N . ASP A 160 ? 1.6179 1.4418 1.3038 0.0834 0.2644 0.2080 161 ASP A N +1127 C CA . ASP A 160 ? 1.6238 1.4525 1.3701 0.0861 0.2889 0.2276 161 ASP A CA +1128 C C . ASP A 160 ? 1.5555 1.3859 1.3330 0.0873 0.3045 0.2219 161 ASP A C +1129 O O . ASP A 160 ? 1.5290 1.3479 1.2911 0.0965 0.3369 0.2323 161 ASP A O +1130 C CB . ASP A 160 ? 1.6357 1.4796 1.4437 0.0783 0.2698 0.2314 161 ASP A CB +1131 C CG . ASP A 160 ? 1.6841 1.5335 1.5625 0.0800 0.2898 0.2522 161 ASP A CG +1132 O OD1 . ASP A 160 ? 1.7231 1.5708 1.6270 0.0843 0.3139 0.2583 161 ASP A OD1 +1133 O OD2 . ASP A 160 ? 1.6641 1.5197 1.5766 0.0770 0.2808 0.2623 161 ASP A OD2 +1134 N N . VAL A 161 ? 1.5073 1.3502 1.3232 0.0788 0.2822 0.2055 162 VAL A N +1135 C CA . VAL A 161 ? 1.5036 1.3522 1.3739 0.0775 0.2907 0.2029 162 VAL A CA +1136 C C . VAL A 161 ? 1.5300 1.3701 1.3601 0.0809 0.2976 0.1886 162 VAL A C +1137 O O . VAL A 161 ? 1.4897 1.3345 1.3627 0.0793 0.3016 0.1845 162 VAL A O +1138 C CB . VAL A 161 ? 1.4441 1.3077 1.3715 0.0668 0.2601 0.1929 162 VAL A CB +1139 C CG1 . VAL A 161 ? 1.4453 1.3114 1.3385 0.0602 0.2309 0.1694 162 VAL A CG1 +1140 C CG2 . VAL A 161 ? 1.4433 1.3133 1.4456 0.0654 0.2680 0.1986 162 VAL A CG2 +1141 N N . LEU A 162 ? 1.6088 1.4357 1.3629 0.0855 0.2989 0.1816 163 LEU A N +1142 C CA . LEU A 162 ? 1.6699 1.4879 1.3821 0.0876 0.2987 0.1640 163 LEU A CA +1143 C C . LEU A 162 ? 1.7569 1.5668 1.4856 0.0959 0.3338 0.1704 163 LEU A C +1144 O O . LEU A 162 ? 1.7497 1.5565 1.4721 0.0961 0.3335 0.1559 163 LEU A O +1145 C CB . LEU A 162 ? 1.6455 1.4484 1.2748 0.0916 0.2921 0.1573 163 LEU A CB +1146 N N . ASP A 163 ? 1.8402 1.6470 1.5941 0.1027 0.3641 0.1921 164 ASP A N +1147 C CA . ASP A 163 ? 1.9114 1.7081 1.6780 0.1128 0.4046 0.2013 164 ASP A CA +1148 C C . ASP A 163 ? 1.8632 1.6753 1.7245 0.1082 0.4076 0.2060 164 ASP A C +1149 O O . ASP A 163 ? 1.9261 1.7327 1.8064 0.1141 0.4332 0.2064 164 ASP A O +1150 C CB . ASP A 163 ? 1.9957 1.7782 1.7325 0.1237 0.4384 0.2236 164 ASP A CB +1151 C CG . ASP A 163 ? 2.0532 1.8187 1.6948 0.1277 0.4299 0.2187 164 ASP A CG +1152 O OD1 . ASP A 163 ? 2.0640 1.8373 1.6957 0.1202 0.3986 0.2160 164 ASP A OD1 +1153 O OD2 . ASP A 163 ? 2.0662 1.8096 1.6443 0.1384 0.4533 0.2166 164 ASP A OD2 +1154 N N . SER A 164 ? 1.7499 1.5793 1.6688 0.0981 0.3812 0.2083 165 SER A N +1155 C CA . SER A 164 ? 1.6827 1.5260 1.6896 0.0918 0.3727 0.2091 165 SER A CA +1156 C C . SER A 164 ? 1.6427 1.4895 1.6418 0.0851 0.3464 0.1862 165 SER A C +1157 O O . SER A 164 ? 1.5679 1.4254 1.6323 0.0785 0.3311 0.1842 165 SER A O +1158 C CB . SER A 164 ? 1.6493 1.5059 1.7145 0.0841 0.3524 0.2183 165 SER A CB +1159 O OG . SER A 164 ? 1.5966 1.4615 1.6537 0.0735 0.3103 0.2005 165 SER A OG +1160 N N . ILE A 165 ? 1.6316 1.4692 1.5553 0.0867 0.3397 0.1703 166 ILE A N +1161 C CA . ILE A 165 ? 1.6028 1.4403 1.5122 0.0830 0.3231 0.1502 166 ILE A CA +1162 C C . ILE A 165 ? 1.6303 1.4496 1.4656 0.0920 0.3415 0.1412 166 ILE A C +1163 O O . ILE A 165 ? 1.5921 1.4080 1.3743 0.0889 0.3195 0.1252 166 ILE A O +1164 C CB . ILE A 165 ? 1.5718 1.4200 1.4740 0.0716 0.2803 0.1361 166 ILE A CB +1165 C CG1 . ILE A 165 ? 1.5633 1.4082 1.4066 0.0709 0.2677 0.1336 166 ILE A CG1 +1166 C CG2 . ILE A 165 ? 1.5262 1.3885 1.5016 0.0633 0.2613 0.1413 166 ILE A CG2 +1167 C CD1 . ILE A 165 ? 1.5176 1.3656 1.3256 0.0639 0.2360 0.1149 166 ILE A CD1 +1168 N N . LYS A 166 ? 1.6596 1.4665 1.4926 0.1031 0.3808 0.1507 167 LYS A N +1169 C CA . LYS A 166 ? 1.6637 1.4484 1.4212 0.1138 0.4025 0.1427 167 LYS A CA +1170 C C . LYS A 166 ? 1.6360 1.4177 1.3758 0.1110 0.3863 0.1200 167 LYS A C +1171 O O . LYS A 166 ? 1.5821 1.3510 1.2503 0.1128 0.3753 0.1057 167 LYS A O +1172 C CB . LYS A 166 ? 1.6537 1.4259 1.4232 0.1265 0.4511 0.1580 167 LYS A CB +1173 N N . THR A 167 ? 1.6218 1.4148 1.4275 0.1064 0.3826 0.1175 168 THR A N +1174 C CA . THR A 167 ? 1.6390 1.4272 1.4440 0.1068 0.3800 0.1006 168 THR A CA +1175 C C . THR A 167 ? 1.5607 1.3666 1.4045 0.0936 0.3407 0.0917 168 THR A C +1176 O O . THR A 167 ? 1.5112 1.3326 1.3954 0.0854 0.3212 0.1004 168 THR A O +1177 C CB . THR A 167 ? 1.6697 1.4521 1.5210 0.1153 0.4178 0.1077 168 THR A CB +1178 O OG1 . THR A 167 ? 1.6273 1.4284 1.5695 0.1082 0.4101 0.1195 168 THR A OG1 +1179 C CG2 . THR A 167 ? 1.7156 1.4812 1.5388 0.1289 0.4617 0.1209 168 THR A CG2 +1180 N N . LYS A 168 ? 1.5382 1.3402 1.3693 0.0923 0.3305 0.0753 169 LYS A N +1181 C CA . LYS A 168 ? 1.4660 1.2813 1.3249 0.0810 0.2952 0.0662 169 LYS A CA +1182 C C . LYS A 168 ? 1.4258 1.2561 1.3688 0.0753 0.2900 0.0786 169 LYS A C +1183 O O . LYS A 168 ? 1.4738 1.3014 1.4618 0.0812 0.3167 0.0869 169 LYS A O +1184 C CB . LYS A 168 ? 1.3760 1.1825 1.2186 0.0829 0.2942 0.0499 169 LYS A CB +1185 N N . GLY A 169 ? 1.3763 1.2204 1.3393 0.0648 0.2576 0.0802 170 GLY A N +1186 C CA . GLY A 169 ? 1.3068 1.1631 1.3448 0.0578 0.2427 0.0888 170 GLY A CA +1187 C C . GLY A 169 ? 1.2834 1.1462 1.3557 0.0566 0.2441 0.1035 170 GLY A C +1188 O O . GLY A 169 ? 1.2818 1.1544 1.3978 0.0480 0.2173 0.1066 170 GLY A O +1189 N N . LYS A 170 ? 1.3020 1.1584 1.3564 0.0648 0.2731 0.1126 171 LYS A N +1190 C CA . LYS A 170 ? 1.3056 1.1677 1.3954 0.0643 0.2772 0.1285 171 LYS A CA +1191 C C . LYS A 170 ? 1.3151 1.1837 1.3779 0.0558 0.2434 0.1225 171 LYS A C +1192 O O . LYS A 170 ? 1.3173 1.1822 1.3155 0.0549 0.2322 0.1098 171 LYS A O +1193 C CB . LYS A 170 ? 1.2896 1.1417 1.3577 0.0756 0.3172 0.1405 171 LYS A CB +1194 N N . SER A 171 ? 1.3077 1.1850 1.4213 0.0500 0.2272 0.1306 172 SER A N +1195 C CA . SER A 171 ? 1.2647 1.1471 1.3619 0.0429 0.1982 0.1262 172 SER A CA +1196 C C . SER A 171 ? 1.2848 1.1705 1.4257 0.0435 0.2046 0.1415 172 SER A C +1197 O O . SER A 171 ? 1.3122 1.1967 1.4953 0.0496 0.2327 0.1566 172 SER A O +1198 C CB . SER A 171 ? 1.2157 1.1032 1.3285 0.0334 0.1621 0.1155 172 SER A CB +1199 O OG . SER A 171 ? 1.1814 1.0735 1.3583 0.0286 0.1468 0.1228 172 SER A OG +1200 N N . ALA A 172 ? 1.3133 1.2027 1.4475 0.0377 0.1802 0.1379 173 ALA A N +1201 C CA . ALA A 172 ? 1.3177 1.2100 1.4893 0.0376 0.1816 0.1503 173 ALA A CA +1202 C C . ALA A 172 ? 1.2922 1.1876 1.4649 0.0291 0.1450 0.1398 173 ALA A C +1203 O O . ALA A 172 ? 1.2912 1.1859 1.4131 0.0255 0.1265 0.1245 173 ALA A O +1204 C CB . ALA A 172 ? 1.3257 1.2136 1.4562 0.0450 0.2078 0.1598 173 ALA A CB +1205 N N . ASP A 173 ? 1.2813 1.1793 1.5111 0.0264 0.1360 0.1477 174 ASP A N +1206 C CA . ASP A 173 ? 1.2525 1.1508 1.4781 0.0208 0.1084 0.1394 174 ASP A CA +1207 C C . ASP A 173 ? 1.2321 1.1295 1.3983 0.0244 0.1198 0.1392 174 ASP A C +1208 O O . ASP A 173 ? 1.2424 1.1387 1.3993 0.0314 0.1500 0.1528 174 ASP A O +1209 C CB . ASP A 173 ? 1.2852 1.1848 1.5831 0.0192 0.1029 0.1504 174 ASP A CB +1210 C CG . ASP A 173 ? 1.3407 1.2397 1.7042 0.0139 0.0806 0.1490 174 ASP A CG +1211 O OD1 . ASP A 173 ? 1.3138 1.2111 1.6624 0.0104 0.0645 0.1379 174 ASP A OD1 +1212 O OD2 . ASP A 173 ? 1.3861 1.2859 1.8182 0.0131 0.0783 0.1600 174 ASP A OD2 +1213 N N . PHE A 174 ? 1.1972 1.0940 1.3262 0.0201 0.0973 0.1250 175 PHE A N +1214 C CA . PHE A 174 ? 1.1550 1.0512 1.2322 0.0224 0.1022 0.1235 175 PHE A CA +1215 C C . PHE A 174 ? 1.1416 1.0375 1.2080 0.0167 0.0742 0.1089 175 PHE A C +1216 O O . PHE A 174 ? 1.1995 1.0942 1.2245 0.0139 0.0606 0.0942 175 PHE A O +1217 C CB . PHE A 174 ? 1.1500 1.0441 1.1652 0.0257 0.1135 0.1184 175 PHE A CB +1218 C CG . PHE A 174 ? 1.1387 1.0308 1.1051 0.0291 0.1210 0.1204 175 PHE A CG +1219 C CD1 . PHE A 174 ? 1.1727 1.0633 1.1474 0.0342 0.1397 0.1371 175 PHE A CD1 +1220 C CD2 . PHE A 174 ? 1.1395 1.0307 1.0535 0.0273 0.1092 0.1071 175 PHE A CD2 +1221 C CE1 . PHE A 174 ? 1.1782 1.0659 1.1078 0.0373 0.1440 0.1400 175 PHE A CE1 +1222 C CE2 . PHE A 174 ? 1.1559 1.0447 1.0297 0.0303 0.1136 0.1096 175 PHE A CE2 +1223 C CZ . PHE A 174 ? 1.1603 1.0469 1.0405 0.0351 0.1298 0.1258 175 PHE A CZ +1224 N N . THR A 175 ? 1.1175 1.0134 1.2206 0.0156 0.0678 0.1133 176 THR A N +1225 C CA . THR A 175 ? 1.0846 0.9777 1.1880 0.0108 0.0417 0.0991 176 THR A CA +1226 C C . THR A 175 ? 1.0656 0.9597 1.1486 0.0129 0.0467 0.1015 176 THR A C +1227 O O . THR A 175 ? 1.0181 0.9145 1.0912 0.0179 0.0688 0.1166 176 THR A O +1228 C CB . THR A 175 ? 1.0789 0.9690 1.2467 0.0072 0.0249 0.0991 176 THR A CB +1229 O OG1 . THR A 175 ? 1.0801 0.9730 1.2972 0.0103 0.0406 0.1175 176 THR A OG1 +1230 C CG2 . THR A 175 ? 1.0605 0.9495 1.2509 0.0049 0.0175 0.0977 176 THR A CG2 +1231 N N . ASN A 176 ? 1.0599 0.9507 1.1335 0.0095 0.0266 0.0866 177 ASN A N +1232 C CA . ASN A 176 ? 1.0791 0.9699 1.1378 0.0106 0.0259 0.0850 177 ASN A CA +1233 C C . ASN A 176 ? 1.0838 0.9784 1.0991 0.0147 0.0440 0.0938 177 ASN A C +1234 O O . ASN A 176 ? 1.1327 1.0284 1.1509 0.0172 0.0508 0.1031 177 ASN A O +1235 C CB . ASN A 176 ? 1.1169 1.0071 1.2312 0.0110 0.0249 0.0942 177 ASN A CB +1236 C CG . ASN A 176 ? 1.1812 1.0653 1.3380 0.0067 0.0028 0.0835 177 ASN A CG +1237 O OD1 . ASN A 176 ? 1.2331 1.1172 1.4475 0.0066 0.0037 0.0944 177 ASN A OD1 +1238 N ND2 . ASN A 176 ? 1.2496 1.1270 1.3781 0.0035 -0.0174 0.0625 177 ASN A ND2 +1239 N N . PHE A 177 ? 1.0932 0.9883 1.0685 0.0154 0.0491 0.0902 178 PHE A N +1240 C CA . PHE A 177 ? 1.0887 0.9847 1.0146 0.0184 0.0583 0.0924 178 PHE A CA +1241 C C . PHE A 177 ? 1.0738 0.9696 0.9745 0.0156 0.0432 0.0773 178 PHE A C +1242 O O . PHE A 177 ? 1.0791 0.9734 0.9738 0.0120 0.0298 0.0625 178 PHE A O +1243 C CB . PHE A 177 ? 1.1033 0.9986 0.9977 0.0200 0.0675 0.0920 178 PHE A CB +1244 C CG . PHE A 177 ? 1.1378 1.0315 0.9842 0.0233 0.0745 0.0943 178 PHE A CG +1245 C CD1 . PHE A 177 ? 1.1438 1.0348 0.9830 0.0285 0.0896 0.1103 178 PHE A CD1 +1246 C CD2 . PHE A 177 ? 1.1365 1.0303 0.9465 0.0212 0.0643 0.0812 178 PHE A CD2 +1247 C CE1 . PHE A 177 ? 1.1690 1.0562 0.9623 0.0314 0.0918 0.1119 178 PHE A CE1 +1248 C CE2 . PHE A 177 ? 1.1396 1.0310 0.9105 0.0239 0.0672 0.0831 178 PHE A CE2 +1249 C CZ . PHE A 177 ? 1.1671 1.0545 0.9284 0.0289 0.0794 0.0978 178 PHE A CZ +1250 N N . ASP A 178 ? 1.0406 0.9372 0.9284 0.0176 0.0457 0.0821 179 ASP A N +1251 C CA . ASP A 178 ? 1.0068 0.9037 0.8759 0.0159 0.0348 0.0703 179 ASP A CA +1252 C C . ASP A 178 ? 0.9976 0.8952 0.8223 0.0171 0.0374 0.0691 179 ASP A C +1253 O O . ASP A 178 ? 1.0118 0.9090 0.8219 0.0202 0.0437 0.0800 179 ASP A O +1254 C CB . ASP A 178 ? 1.0242 0.9216 0.9149 0.0172 0.0341 0.0766 179 ASP A CB +1255 C CG . ASP A 178 ? 1.0502 0.9472 0.9344 0.0154 0.0234 0.0625 179 ASP A CG +1256 O OD1 . ASP A 178 ? 1.0434 0.9403 0.8980 0.0140 0.0193 0.0509 179 ASP A OD1 +1257 O OD2 . ASP A 178 ? 1.0944 0.9906 1.0056 0.0158 0.0203 0.0635 179 ASP A OD2 +1258 N N . PRO A 179 ? 0.9811 0.8788 0.7834 0.0147 0.0312 0.0564 180 PRO A N +1259 C CA . PRO A 179 ? 0.9778 0.8759 0.7434 0.0155 0.0321 0.0548 180 PRO A CA +1260 C C . PRO A 179 ? 0.9767 0.8759 0.7329 0.0163 0.0279 0.0556 180 PRO A C +1261 O O . PRO A 179 ? 0.9983 0.8965 0.7286 0.0176 0.0279 0.0579 180 PRO A O +1262 C CB . PRO A 179 ? 0.9612 0.8596 0.7154 0.0122 0.0251 0.0413 180 PRO A CB +1263 C CG . PRO A 179 ? 0.9362 0.8330 0.7147 0.0097 0.0175 0.0335 180 PRO A CG +1264 C CD . PRO A 179 ? 0.9443 0.8405 0.7554 0.0112 0.0222 0.0439 180 PRO A CD +1265 N N . ARG A 180 ? 0.9527 0.8529 0.7318 0.0156 0.0237 0.0535 181 ARG A N +1266 C CA . ARG A 180 ? 0.9591 0.8607 0.7365 0.0163 0.0197 0.0548 181 ARG A CA +1267 C C . ARG A 180 ? 0.9653 0.8652 0.7361 0.0196 0.0231 0.0714 181 ARG A C +1268 O O . ARG A 180 ? 0.9549 0.8552 0.7217 0.0202 0.0176 0.0744 181 ARG A O +1269 C CB . ARG A 180 ? 0.9340 0.8360 0.7415 0.0157 0.0161 0.0492 181 ARG A CB +1270 C CG . ARG A 180 ? 0.8984 0.7984 0.7068 0.0134 0.0123 0.0322 181 ARG A CG +1271 C CD . ARG A 180 ? 0.9050 0.8022 0.7430 0.0138 0.0098 0.0268 181 ARG A CD +1272 N NE . ARG A 180 ? 0.9001 0.7947 0.7641 0.0136 0.0089 0.0308 181 ARG A NE +1273 C CZ . ARG A 180 ? 0.9088 0.7984 0.8002 0.0134 0.0040 0.0230 181 ARG A CZ +1274 N NH1 . ARG A 180 ? 0.9322 0.8180 0.8251 0.0139 0.0015 0.0098 181 ARG A NH1 +1275 N NH2 . ARG A 180 ? 0.9028 0.7905 0.8225 0.0131 0.0023 0.0283 181 ARG A NH2 +1276 N N . GLY A 181 ? 1.0113 0.9085 0.7822 0.0219 0.0320 0.0826 182 GLY A N +1277 C CA . GLY A 181 ? 1.0383 0.9309 0.7941 0.0260 0.0378 0.0997 182 GLY A CA +1278 C C . GLY A 181 ? 1.0700 0.9575 0.7819 0.0276 0.0356 0.0988 182 GLY A C +1279 O O . GLY A 181 ? 1.1063 0.9872 0.7962 0.0312 0.0363 0.1108 182 GLY A O +1280 N N . LEU A 182 ? 1.0765 0.9658 0.7757 0.0251 0.0319 0.0848 183 LEU A N +1281 C CA . LEU A 182 ? 1.0892 0.9731 0.7506 0.0262 0.0291 0.0810 183 LEU A CA +1282 C C . LEU A 182 ? 1.0557 0.9416 0.7118 0.0239 0.0147 0.0740 183 LEU A C +1283 O O . LEU A 182 ? 1.0811 0.9618 0.7094 0.0246 0.0089 0.0709 183 LEU A O +1284 C CB . LEU A 182 ? 1.1053 0.9906 0.7646 0.0247 0.0347 0.0717 183 LEU A CB +1285 C CG . LEU A 182 ? 1.1252 1.0087 0.7956 0.0271 0.0493 0.0792 183 LEU A CG +1286 C CD1 . LEU A 182 ? 1.0864 0.9724 0.7644 0.0248 0.0516 0.0698 183 LEU A CD1 +1287 C CD2 . LEU A 182 ? 1.1809 1.0542 0.8212 0.0330 0.0599 0.0909 183 LEU A CD2 +1288 N N . LEU A 183 ? 1.0213 0.9135 0.7055 0.0217 0.0095 0.0718 184 LEU A N +1289 C CA . LEU A 183 ? 1.0178 0.9130 0.7073 0.0196 -0.0014 0.0658 184 LEU A CA +1290 C C . LEU A 183 ? 1.0573 0.9478 0.7408 0.0218 -0.0107 0.0772 184 LEU A C +1291 O O . LEU A 183 ? 1.1144 1.0008 0.7967 0.0245 -0.0074 0.0895 184 LEU A O +1292 C CB . LEU A 183 ? 0.9736 0.8758 0.6959 0.0173 0.0000 0.0582 184 LEU A CB +1293 C CG . LEU A 183 ? 0.9414 0.8458 0.6656 0.0152 0.0057 0.0466 184 LEU A CG +1294 C CD1 . LEU A 183 ? 0.9279 0.8352 0.6749 0.0138 0.0063 0.0372 184 LEU A CD1 +1295 C CD2 . LEU A 183 ? 0.9194 0.8233 0.6200 0.0139 0.0042 0.0405 184 LEU A CD2 +1296 N N . PRO A 184 ? 1.0965 0.9863 0.7764 0.0208 -0.0233 0.0748 185 PRO A N +1297 C CA . PRO A 184 ? 1.1302 1.0154 0.8113 0.0222 -0.0360 0.0856 185 PRO A CA +1298 C C . PRO A 184 ? 1.1183 1.0120 0.8434 0.0204 -0.0379 0.0850 185 PRO A C +1299 O O . PRO A 184 ? 1.1212 1.0222 0.8667 0.0186 -0.0291 0.0748 185 PRO A O +1300 C CB . PRO A 184 ? 1.1524 1.0311 0.8093 0.0219 -0.0500 0.0816 185 PRO A CB +1301 C CG . PRO A 184 ? 1.1564 1.0397 0.8087 0.0196 -0.0425 0.0679 185 PRO A CG +1302 C CD . PRO A 184 ? 1.1065 0.9988 0.7821 0.0182 -0.0276 0.0633 185 PRO A CD +1303 N N . GLU A 185 ? 1.1483 1.0395 0.8856 0.0213 -0.0497 0.0958 186 GLU A N +1304 C CA . GLU A 185 ? 1.1583 1.0565 0.9416 0.0204 -0.0514 0.0971 186 GLU A CA +1305 C C . GLU A 185 ? 1.1400 1.0440 0.9443 0.0180 -0.0558 0.0872 186 GLU A C +1306 O O . GLU A 185 ? 1.2039 1.1142 1.0474 0.0176 -0.0514 0.0844 186 GLU A O +1307 C CB . GLU A 185 ? 1.1788 1.0717 0.9695 0.0223 -0.0631 0.1144 186 GLU A CB +1308 C CG . GLU A 185 ? 1.1626 1.0524 0.9476 0.0248 -0.0537 0.1255 186 GLU A CG +1309 N N . SER A 186 ? 1.1079 1.0092 0.8898 0.0169 -0.0628 0.0822 187 SER A N +1310 C CA . SER A 186 ? 1.0851 0.9918 0.8881 0.0146 -0.0655 0.0741 187 SER A CA +1311 C C . SER A 186 ? 1.1016 1.0101 0.8831 0.0133 -0.0554 0.0623 187 SER A C +1312 O O . SER A 186 ? 1.1100 1.0116 0.8562 0.0135 -0.0611 0.0618 187 SER A O +1313 C CB . SER A 186 ? 1.0916 0.9931 0.8969 0.0141 -0.0874 0.0804 187 SER A CB +1314 O OG . SER A 186 ? 1.0530 0.9601 0.8831 0.0119 -0.0889 0.0738 187 SER A OG +1315 N N . LEU A 187 ? 1.0704 0.9861 0.8713 0.0123 -0.0415 0.0534 188 LEU A N +1316 C CA . LEU A 187 ? 1.0623 0.9796 0.8461 0.0108 -0.0321 0.0434 188 LEU A CA +1317 C C . LEU A 187 ? 1.0326 0.9533 0.8336 0.0092 -0.0361 0.0414 188 LEU A C +1318 O O . LEU A 187 ? 1.0135 0.9384 0.8213 0.0085 -0.0236 0.0347 188 LEU A O +1319 C CB . LEU A 187 ? 1.0966 1.0169 0.8862 0.0112 -0.0154 0.0355 188 LEU A CB +1320 C CG . LEU A 187 ? 1.1349 1.0523 0.9158 0.0124 -0.0111 0.0365 188 LEU A CG +1321 C CD1 . LEU A 187 ? 1.1369 1.0533 0.8993 0.0116 -0.0018 0.0275 188 LEU A CD1 +1322 C CD2 . LEU A 187 ? 1.1759 1.0884 0.9389 0.0135 -0.0201 0.0470 188 LEU A CD2 +1323 N N . ASP A 188 ? 1.0446 0.9626 0.8539 0.0088 -0.0536 0.0478 189 ASP A N +1324 C CA . ASP A 188 ? 1.0414 0.9616 0.8708 0.0069 -0.0610 0.0470 189 ASP A CA +1325 C C . ASP A 188 ? 0.9979 0.9134 0.7931 0.0058 -0.0642 0.0418 189 ASP A C +1326 O O . ASP A 188 ? 1.0355 0.9432 0.7950 0.0070 -0.0698 0.0423 189 ASP A O +1327 C CB . ASP A 188 ? 1.1163 1.0332 0.9687 0.0066 -0.0831 0.0554 189 ASP A CB +1328 C CG . ASP A 188 ? 1.1333 1.0564 1.0344 0.0073 -0.0807 0.0612 189 ASP A CG +1329 O OD1 . ASP A 188 ? 1.1235 1.0542 1.0487 0.0078 -0.0607 0.0569 189 ASP A OD1 +1330 O OD2 . ASP A 188 ? 1.1857 1.1045 1.0989 0.0077 -0.0988 0.0700 189 ASP A OD2 +1331 N N . TYR A 189 ? 0.9329 0.8527 0.7400 0.0040 -0.0594 0.0377 190 TYR A N +1332 C CA . TYR A 189 ? 0.9044 0.8214 0.6825 0.0029 -0.0572 0.0317 190 TYR A CA +1333 C C . TYR A 189 ? 0.8751 0.7945 0.6756 0.0007 -0.0627 0.0311 190 TYR A C +1334 O O . TYR A 189 ? 0.8778 0.8040 0.7169 0.0002 -0.0575 0.0346 190 TYR A O +1335 C CB . TYR A 189 ? 0.9071 0.8275 0.6698 0.0033 -0.0373 0.0269 190 TYR A CB +1336 C CG . TYR A 189 ? 0.8893 0.8167 0.6737 0.0028 -0.0212 0.0251 190 TYR A CG +1337 C CD1 . TYR A 189 ? 0.9274 0.8570 0.7143 0.0011 -0.0164 0.0236 190 TYR A CD1 +1338 C CD2 . TYR A 189 ? 0.8977 0.8280 0.6974 0.0045 -0.0094 0.0248 190 TYR A CD2 +1339 C CE1 . TYR A 189 ? 0.9399 0.8739 0.7405 0.0015 0.0007 0.0232 190 TYR A CE1 +1340 C CE2 . TYR A 189 ? 0.9099 0.8435 0.7226 0.0052 0.0076 0.0223 190 TYR A CE2 +1341 C CZ . TYR A 189 ? 0.9270 0.8621 0.7379 0.0039 0.0133 0.0221 190 TYR A CZ +1342 O OH . TYR A 189 ? 0.9601 0.8968 0.7789 0.0052 0.0319 0.0210 190 TYR A OH +1343 N N . TRP A 190 ? 0.8814 0.7943 0.6606 -0.0001 -0.0728 0.0273 191 TRP A N +1344 C CA . TRP A 190 ? 0.8896 0.8046 0.6835 -0.0024 -0.0738 0.0252 191 TRP A CA +1345 C C . TRP A 190 ? 0.8812 0.7998 0.6566 -0.0028 -0.0551 0.0215 191 TRP A C +1346 O O . TRP A 190 ? 0.9293 0.8452 0.6745 -0.0014 -0.0491 0.0187 191 TRP A O +1347 C CB . TRP A 190 ? 0.9220 0.8258 0.7001 -0.0027 -0.0956 0.0214 191 TRP A CB +1348 C CG . TRP A 190 ? 0.9478 0.8438 0.7340 -0.0021 -0.1188 0.0245 191 TRP A CG +1349 C CD1 . TRP A 190 ? 0.9570 0.8554 0.7879 -0.0038 -0.1324 0.0294 191 TRP A CD1 +1350 C CD2 . TRP A 190 ? 0.9605 0.8434 0.7089 0.0005 -0.1325 0.0240 191 TRP A CD2 +1351 N NE1 . TRP A 190 ? 0.9781 0.8655 0.8013 -0.0027 -0.1564 0.0315 191 TRP A NE1 +1352 C CE2 . TRP A 190 ? 0.9716 0.8486 0.7410 0.0001 -0.1565 0.0284 191 TRP A CE2 +1353 C CE3 . TRP A 190 ? 0.9804 0.8552 0.6805 0.0035 -0.1264 0.0212 191 TRP A CE3 +1354 C CZ2 . TRP A 190 ? 0.9891 0.8513 0.7267 0.0027 -0.1754 0.0302 191 TRP A CZ2 +1355 C CZ3 . TRP A 190 ? 1.0145 0.8753 0.6845 0.0064 -0.1417 0.0235 191 TRP A CZ3 +1356 C CH2 . TRP A 190 ? 0.9991 0.8530 0.6844 0.0061 -0.1663 0.0280 191 TRP A CH2 +1357 N N . THR A 191 ? 0.8573 0.7813 0.6515 -0.0047 -0.0471 0.0225 192 THR A N +1358 C CA . THR A 191 ? 0.8476 0.7736 0.6237 -0.0053 -0.0321 0.0202 192 THR A CA +1359 C C . THR A 191 ? 0.8308 0.7581 0.6233 -0.0076 -0.0345 0.0217 192 THR A C +1360 O O . THR A 191 ? 0.8326 0.7638 0.6619 -0.0086 -0.0371 0.0267 192 THR A O +1361 C CB . THR A 191 ? 0.8556 0.7870 0.6351 -0.0043 -0.0120 0.0222 192 THR A CB +1362 O OG1 . THR A 191 ? 0.9066 0.8382 0.6703 -0.0052 -0.0014 0.0214 192 THR A OG1 +1363 C CG2 . THR A 191 ? 0.8509 0.7881 0.6697 -0.0039 -0.0049 0.0280 192 THR A CG2 +1364 N N . TYR A 192 ? 0.8213 0.7456 0.5916 -0.0084 -0.0333 0.0182 193 TYR A N +1365 C CA . TYR A 192 ? 0.8222 0.7472 0.6071 -0.0107 -0.0354 0.0197 193 TYR A CA +1366 C C . TYR A 192 ? 0.8072 0.7318 0.5686 -0.0112 -0.0256 0.0187 193 TYR A C +1367 O O . TYR A 192 ? 0.8093 0.7307 0.5425 -0.0100 -0.0230 0.0145 193 TYR A O +1368 C CB . TYR A 192 ? 0.8392 0.7564 0.6271 -0.0112 -0.0563 0.0145 193 TYR A CB +1369 C CG . TYR A 192 ? 0.8317 0.7398 0.5826 -0.0097 -0.0616 0.0062 193 TYR A CG +1370 C CD1 . TYR A 192 ? 0.8346 0.7368 0.5578 -0.0070 -0.0645 0.0027 193 TYR A CD1 +1371 C CD2 . TYR A 192 ? 0.8324 0.7370 0.5789 -0.0107 -0.0629 0.0027 193 TYR A CD2 +1372 C CE1 . TYR A 192 ? 0.8502 0.7432 0.5412 -0.0049 -0.0663 -0.0038 193 TYR A CE1 +1373 C CE2 . TYR A 192 ? 0.8450 0.7406 0.5609 -0.0087 -0.0652 -0.0049 193 TYR A CE2 +1374 C CZ . TYR A 192 ? 0.8566 0.7462 0.5441 -0.0055 -0.0660 -0.0081 193 TYR A CZ +1375 O OH . TYR A 192 ? 0.8937 0.7739 0.5522 -0.0027 -0.0650 -0.0145 193 TYR A OH +1376 N N . PRO A 193 ? 0.8253 0.7528 0.6010 -0.0132 -0.0203 0.0237 194 PRO A N +1377 C CA . PRO A 193 ? 0.8229 0.7490 0.5786 -0.0140 -0.0141 0.0238 194 PRO A CA +1378 C C . PRO A 193 ? 0.7925 0.7124 0.5404 -0.0145 -0.0267 0.0170 194 PRO A C +1379 O O . PRO A 193 ? 0.7810 0.6989 0.5484 -0.0153 -0.0374 0.0156 194 PRO A O +1380 C CB . PRO A 193 ? 0.8261 0.7571 0.6030 -0.0156 -0.0040 0.0339 194 PRO A CB +1381 C CG . PRO A 193 ? 0.8312 0.7658 0.6480 -0.0162 -0.0086 0.0380 194 PRO A CG +1382 C CD . PRO A 193 ? 0.8336 0.7658 0.6489 -0.0147 -0.0202 0.0310 194 PRO A CD +1383 N N . GLY A 194 ? 0.7950 0.7111 0.5175 -0.0137 -0.0249 0.0129 195 GLY A N +1384 C CA . GLY A 194 ? 0.8145 0.7233 0.5283 -0.0130 -0.0334 0.0056 195 GLY A CA +1385 C C . GLY A 194 ? 0.8305 0.7381 0.5302 -0.0131 -0.0274 0.0055 195 GLY A C +1386 O O . GLY A 194 ? 0.8819 0.7941 0.5836 -0.0150 -0.0202 0.0127 195 GLY A O +1387 N N . SER A 195 ? 0.8406 0.7412 0.5261 -0.0108 -0.0301 -0.0017 196 SER A N +1388 C CA . SER A 195 ? 0.8797 0.7778 0.5591 -0.0105 -0.0258 -0.0026 196 SER A CA +1389 C C . SER A 195 ? 0.8930 0.7864 0.5531 -0.0070 -0.0214 -0.0068 196 SER A C +1390 O O . SER A 195 ? 0.9364 0.8263 0.5841 -0.0044 -0.0233 -0.0100 196 SER A O +1391 C CB . SER A 195 ? 0.9189 0.8117 0.6092 -0.0105 -0.0310 -0.0070 196 SER A CB +1392 O OG . SER A 195 ? 0.9606 0.8433 0.6367 -0.0066 -0.0350 -0.0169 196 SER A OG +1393 N N . LEU A 196 ? 0.8796 0.7721 0.5400 -0.0068 -0.0163 -0.0059 197 LEU A N +1394 C CA . LEU A 196 ? 0.8882 0.7745 0.5380 -0.0028 -0.0101 -0.0097 197 LEU A CA +1395 C C . LEU A 196 ? 0.8820 0.7582 0.5215 0.0007 -0.0126 -0.0181 197 LEU A C +1396 O O . LEU A 196 ? 0.8801 0.7540 0.5304 -0.0003 -0.0182 -0.0214 197 LEU A O +1397 C CB . LEU A 196 ? 0.8830 0.7698 0.5460 -0.0036 -0.0058 -0.0070 197 LEU A CB +1398 C CG . LEU A 196 ? 0.8654 0.7588 0.5366 -0.0075 -0.0078 0.0004 197 LEU A CG +1399 C CD1 . LEU A 196 ? 0.8782 0.7704 0.5646 -0.0079 -0.0061 0.0031 197 LEU A CD1 +1400 C CD2 . LEU A 196 ? 0.8775 0.7735 0.5374 -0.0071 -0.0061 0.0019 197 LEU A CD2 +1401 N N . THR A 197 ? 0.8945 0.7636 0.5129 0.0051 -0.0092 -0.0212 198 THR A N +1402 C CA . THR A 197 ? 0.9272 0.7822 0.5266 0.0099 -0.0111 -0.0304 198 THR A CA +1403 C C . THR A 197 ? 0.9377 0.7856 0.5395 0.0131 -0.0006 -0.0345 198 THR A C +1404 O O . THR A 197 ? 1.0123 0.8484 0.6050 0.0161 -0.0033 -0.0439 198 THR A O +1405 C CB . THR A 197 ? 0.9432 0.7913 0.5151 0.0138 -0.0109 -0.0305 198 THR A CB +1406 O OG1 . THR A 197 ? 0.9448 0.7960 0.5142 0.0157 0.0025 -0.0241 198 THR A OG1 +1407 C CG2 . THR A 197 ? 0.9560 0.8105 0.5322 0.0106 -0.0227 -0.0271 198 THR A CG2 +1408 N N . THR A 198 ? 0.9281 0.7821 0.5445 0.0126 0.0099 -0.0283 199 THR A N +1409 C CA . THR A 198 ? 0.9554 0.8040 0.5829 0.0156 0.0214 -0.0305 199 THR A CA +1410 C C . THR A 198 ? 0.9459 0.8035 0.6066 0.0104 0.0170 -0.0259 199 THR A C +1411 O O . THR A 198 ? 0.9595 0.8276 0.6302 0.0052 0.0099 -0.0186 199 THR A O +1412 C CB . THR A 198 ? 0.9826 0.8313 0.6103 0.0190 0.0366 -0.0246 199 THR A CB +1413 O OG1 . THR A 198 ? 0.9252 0.7867 0.5712 0.0139 0.0325 -0.0153 199 THR A OG1 +1414 C CG2 . THR A 198 ? 1.0113 0.8499 0.6048 0.0250 0.0435 -0.0264 199 THR A CG2 +1415 N N . PRO A 199 ? 0.9664 0.8190 0.6440 0.0121 0.0221 -0.0295 200 PRO A N +1416 C CA . PRO A 199 ? 0.9425 0.8026 0.6535 0.0072 0.0170 -0.0235 200 PRO A CA +1417 C C . PRO A 199 ? 0.9162 0.7859 0.6397 0.0037 0.0165 -0.0126 200 PRO A C +1418 O O . PRO A 199 ? 0.9082 0.7768 0.6272 0.0068 0.0261 -0.0109 200 PRO A O +1419 C CB . PRO A 199 ? 0.9474 0.7992 0.6751 0.0116 0.0281 -0.0283 200 PRO A CB +1420 C CG . PRO A 199 ? 0.9812 0.8182 0.6776 0.0185 0.0352 -0.0408 200 PRO A CG +1421 C CD . PRO A 199 ? 0.9798 0.8178 0.6448 0.0193 0.0341 -0.0390 200 PRO A CD +1422 N N . PRO A 200 ? 0.8963 0.7739 0.6351 -0.0021 0.0055 -0.0049 201 PRO A N +1423 C CA . PRO A 200 ? 0.8839 0.7633 0.6325 -0.0058 -0.0041 -0.0039 201 PRO A CA +1424 C C . PRO A 200 ? 0.8773 0.7589 0.6107 -0.0076 -0.0111 -0.0054 201 PRO A C +1425 O O . PRO A 200 ? 0.8837 0.7691 0.6292 -0.0116 -0.0185 0.0001 201 PRO A O +1426 C CB . PRO A 200 ? 0.8994 0.7850 0.6645 -0.0108 -0.0120 0.0074 201 PRO A CB +1427 C CG . PRO A 200 ? 0.8994 0.7876 0.6514 -0.0109 -0.0108 0.0102 201 PRO A CG +1428 C CD . PRO A 200 ? 0.8950 0.7784 0.6440 -0.0053 0.0019 0.0039 201 PRO A CD +1429 N N . LEU A 201 ? 0.8631 0.7418 0.5736 -0.0047 -0.0089 -0.0115 202 LEU A N +1430 C CA . LEU A 201 ? 0.8509 0.7298 0.5535 -0.0058 -0.0163 -0.0143 202 LEU A CA +1431 C C . LEU A 201 ? 0.8437 0.7318 0.5562 -0.0110 -0.0220 -0.0045 202 LEU A C +1432 O O . LEU A 201 ? 0.8678 0.7565 0.5876 -0.0124 -0.0279 -0.0050 202 LEU A O +1433 C CB . LEU A 201 ? 0.8694 0.7398 0.5803 -0.0040 -0.0202 -0.0230 202 LEU A CB +1434 C CG . LEU A 201 ? 0.9079 0.7650 0.6018 0.0024 -0.0135 -0.0347 202 LEU A CG +1435 C CD1 . LEU A 201 ? 0.9220 0.7687 0.6236 0.0041 -0.0192 -0.0452 202 LEU A CD1 +1436 C CD2 . LEU A 201 ? 0.9336 0.7861 0.5962 0.0057 -0.0129 -0.0384 202 LEU A CD2 +1437 N N . LEU A 202 ? 0.8090 0.7024 0.5211 -0.0134 -0.0205 0.0038 203 LEU A N +1438 C CA . LEU A 202 ? 0.7829 0.6823 0.4965 -0.0173 -0.0235 0.0136 203 LEU A CA +1439 C C . LEU A 202 ? 0.7823 0.6847 0.4856 -0.0171 -0.0223 0.0132 203 LEU A C +1440 O O . LEU A 202 ? 0.7527 0.6544 0.4424 -0.0148 -0.0198 0.0084 203 LEU A O +1441 C CB . LEU A 202 ? 0.7622 0.6624 0.4689 -0.0188 -0.0237 0.0197 203 LEU A CB +1442 C CG . LEU A 202 ? 0.7608 0.6586 0.4841 -0.0200 -0.0273 0.0231 203 LEU A CG +1443 C CD1 . LEU A 202 ? 0.7618 0.6585 0.4789 -0.0213 -0.0311 0.0278 203 LEU A CD1 +1444 C CD2 . LEU A 202 ? 0.7815 0.6800 0.5211 -0.0229 -0.0323 0.0303 203 LEU A CD2 +1445 N N . GLU A 203 ? 0.8134 0.7192 0.5272 -0.0194 -0.0236 0.0194 204 GLU A N +1446 C CA . GLU A 203 ? 0.8329 0.7422 0.5468 -0.0193 -0.0217 0.0208 204 GLU A CA +1447 C C . GLU A 203 ? 0.8509 0.7626 0.5489 -0.0198 -0.0151 0.0269 204 GLU A C +1448 O O . GLU A 203 ? 0.9286 0.8421 0.6295 -0.0214 -0.0113 0.0363 204 GLU A O +1449 C CB . GLU A 203 ? 0.8452 0.7565 0.5843 -0.0213 -0.0248 0.0255 204 GLU A CB +1450 C CG . GLU A 203 ? 0.8528 0.7591 0.6068 -0.0209 -0.0325 0.0185 204 GLU A CG +1451 C CD . GLU A 203 ? 0.8817 0.7881 0.6623 -0.0220 -0.0391 0.0186 204 GLU A CD +1452 O OE1 . GLU A 203 ? 0.8934 0.8047 0.6939 -0.0247 -0.0367 0.0299 204 GLU A OE1 +1453 O OE2 . GLU A 203 ? 0.9210 0.8214 0.7024 -0.0200 -0.0472 0.0076 204 GLU A OE2 +1454 N N . CYS A 204 ? 0.8380 0.7482 0.5190 -0.0180 -0.0134 0.0221 205 CYS A N +1455 C CA . CYS A 204 ? 0.7984 0.7078 0.4618 -0.0180 -0.0090 0.0251 205 CYS A CA +1456 C C . CYS A 204 ? 0.7714 0.6815 0.4260 -0.0156 -0.0055 0.0198 205 CYS A C +1457 O O . CYS A 204 ? 0.7605 0.6678 0.4018 -0.0151 -0.0047 0.0183 205 CYS A O +1458 C CB . CYS A 204 ? 0.8141 0.7193 0.4697 -0.0187 -0.0134 0.0252 205 CYS A CB +1459 S SG . CYS A 204 ? 0.8282 0.7317 0.4884 -0.0166 -0.0155 0.0173 205 CYS A SG +1460 N N . VAL A 205 ? 0.7670 0.6798 0.4311 -0.0145 -0.0053 0.0173 206 VAL A N +1461 C CA . VAL A 205 ? 0.7599 0.6726 0.4185 -0.0120 -0.0048 0.0121 206 VAL A CA +1462 C C . VAL A 205 ? 0.7697 0.6862 0.4400 -0.0115 -0.0025 0.0139 206 VAL A C +1463 O O . VAL A 205 ? 0.8094 0.7273 0.4961 -0.0124 -0.0068 0.0152 206 VAL A O +1464 C CB . VAL A 205 ? 0.7432 0.6525 0.3998 -0.0103 -0.0101 0.0066 206 VAL A CB +1465 C CG1 . VAL A 205 ? 0.7430 0.6518 0.3954 -0.0079 -0.0108 0.0040 206 VAL A CG1 +1466 C CG2 . VAL A 205 ? 0.7301 0.6362 0.3800 -0.0100 -0.0093 0.0055 206 VAL A CG2 +1467 N N . THR A 206 ? 0.7622 0.6795 0.4276 -0.0101 0.0033 0.0135 207 THR A N +1468 C CA . THR A 206 ? 0.7551 0.6757 0.4348 -0.0088 0.0054 0.0144 207 THR A CA +1469 C C . THR A 206 ? 0.7475 0.6663 0.4236 -0.0071 -0.0016 0.0101 207 THR A C +1470 O O . THR A 206 ? 0.7664 0.6833 0.4302 -0.0059 0.0009 0.0079 207 THR A O +1471 C CB . THR A 206 ? 0.7713 0.6920 0.4463 -0.0075 0.0172 0.0156 207 THR A CB +1472 O OG1 . THR A 206 ? 0.8070 0.7268 0.4773 -0.0086 0.0239 0.0206 207 THR A OG1 +1473 C CG2 . THR A 206 ? 0.7710 0.6954 0.4662 -0.0059 0.0210 0.0169 207 THR A CG2 +1474 N N . TRP A 207 ? 0.7378 0.6554 0.4220 -0.0070 -0.0112 0.0092 208 TRP A N +1475 C CA . TRP A 207 ? 0.7503 0.6635 0.4246 -0.0048 -0.0183 0.0064 208 TRP A CA +1476 C C . TRP A 207 ? 0.7756 0.6919 0.4619 -0.0037 -0.0173 0.0089 208 TRP A C +1477 O O . TRP A 207 ? 0.8012 0.7221 0.5097 -0.0045 -0.0149 0.0121 208 TRP A O +1478 C CB . TRP A 207 ? 0.7554 0.6625 0.4273 -0.0043 -0.0308 0.0033 208 TRP A CB +1479 C CG . TRP A 207 ? 0.7555 0.6573 0.4112 -0.0038 -0.0301 -0.0005 208 TRP A CG +1480 C CD1 . TRP A 207 ? 0.7586 0.6605 0.4208 -0.0057 -0.0303 -0.0016 208 TRP A CD1 +1481 C CD2 . TRP A 207 ? 0.7557 0.6518 0.3902 -0.0011 -0.0267 -0.0028 208 TRP A CD2 +1482 N NE1 . TRP A 207 ? 0.7570 0.6534 0.4044 -0.0042 -0.0280 -0.0052 208 TRP A NE1 +1483 C CE2 . TRP A 207 ? 0.7674 0.6602 0.3979 -0.0013 -0.0248 -0.0059 208 TRP A CE2 +1484 C CE3 . TRP A 207 ? 0.7876 0.6809 0.4091 0.0016 -0.0244 -0.0014 208 TRP A CE3 +1485 C CZ2 . TRP A 207 ? 0.8165 0.7030 0.4313 0.0016 -0.0194 -0.0081 208 TRP A CZ2 +1486 C CZ3 . TRP A 207 ? 0.8131 0.7004 0.4179 0.0044 -0.0186 -0.0024 208 TRP A CZ3 +1487 C CH2 . TRP A 207 ? 0.8284 0.7125 0.4306 0.0045 -0.0153 -0.0059 208 TRP A CH2 +1488 N N . ILE A 208 ? 0.7911 0.7048 0.4663 -0.0016 -0.0176 0.0085 209 ILE A N +1489 C CA . ILE A 208 ? 0.7878 0.7031 0.4755 -0.0002 -0.0192 0.0113 209 ILE A CA +1490 C C . ILE A 208 ? 0.8029 0.7113 0.4760 0.0018 -0.0294 0.0123 209 ILE A C +1491 O O . ILE A 208 ? 0.7952 0.7006 0.4521 0.0035 -0.0252 0.0127 209 ILE A O +1492 C CB . ILE A 208 ? 0.7633 0.6814 0.4526 0.0002 -0.0072 0.0107 209 ILE A CB +1493 C CG1 . ILE A 208 ? 0.7710 0.6930 0.4710 -0.0008 0.0023 0.0104 209 ILE A CG1 +1494 C CG2 . ILE A 208 ? 0.7802 0.6991 0.4816 0.0021 -0.0082 0.0133 209 ILE A CG2 +1495 C CD1 . ILE A 208 ? 0.7868 0.7077 0.4797 0.0001 0.0135 0.0073 209 ILE A CD1 +1496 N N . VAL A 209 ? 0.8428 0.7470 0.5194 0.0018 -0.0431 0.0129 210 VAL A N +1497 C CA . VAL A 209 ? 0.8769 0.7710 0.5326 0.0045 -0.0547 0.0141 210 VAL A CA +1498 C C . VAL A 209 ? 0.8887 0.7840 0.5604 0.0052 -0.0613 0.0204 210 VAL A C +1499 O O . VAL A 209 ? 0.9119 0.8114 0.6128 0.0035 -0.0684 0.0220 210 VAL A O +1500 C CB . VAL A 209 ? 0.8984 0.7834 0.5445 0.0045 -0.0696 0.0098 210 VAL A CB +1501 C CG1 . VAL A 209 ? 0.9447 0.8157 0.5594 0.0082 -0.0806 0.0102 210 VAL A CG1 +1502 C CG2 . VAL A 209 ? 0.9051 0.7899 0.5435 0.0035 -0.0633 0.0038 210 VAL A CG2 +1503 N N . LEU A 210 ? 0.9098 0.8015 0.5667 0.0078 -0.0592 0.0248 211 LEU A N +1504 C CA . LEU A 210 ? 0.9171 0.8092 0.5885 0.0089 -0.0653 0.0324 211 LEU A CA +1505 C C . LEU A 210 ? 0.9754 0.8556 0.6321 0.0105 -0.0863 0.0361 211 LEU A C +1506 O O . LEU A 210 ? 0.9744 0.8425 0.5918 0.0131 -0.0891 0.0343 211 LEU A O +1507 C CB . LEU A 210 ? 0.9030 0.7953 0.5643 0.0110 -0.0536 0.0365 211 LEU A CB +1508 C CG . LEU A 210 ? 0.8804 0.7813 0.5551 0.0099 -0.0367 0.0329 211 LEU A CG +1509 C CD1 . LEU A 210 ? 0.8872 0.7880 0.5646 0.0118 -0.0304 0.0386 211 LEU A CD1 +1510 C CD2 . LEU A 210 ? 0.8696 0.7790 0.5751 0.0077 -0.0328 0.0297 211 LEU A CD2 +1511 N N . LYS A 211 ? 0.9837 0.8656 0.6693 0.0095 -0.0998 0.0414 212 LYS A N +1512 C CA . LYS A 211 ? 1.0279 0.8975 0.7057 0.0104 -0.1252 0.0457 212 LYS A CA +1513 C C . LYS A 211 ? 1.0767 0.9348 0.7168 0.0143 -0.1276 0.0527 212 LYS A C +1514 O O . LYS A 211 ? 1.1383 0.9800 0.7409 0.0167 -0.1425 0.0520 212 LYS A O +1515 C CB . LYS A 211 ? 0.9878 0.8629 0.7120 0.0086 -0.1381 0.0525 212 LYS A CB +1516 N N . GLU A 212 ? 1.1311 0.9965 0.7815 0.0152 -0.1131 0.0591 213 GLU A N +1517 C CA . GLU A 212 ? 1.2069 1.0637 0.8319 0.0189 -0.1128 0.0696 213 GLU A CA +1518 C C . GLU A 212 ? 1.1767 1.0279 0.7622 0.0218 -0.0960 0.0670 213 GLU A C +1519 O O . GLU A 212 ? 1.1472 1.0081 0.7430 0.0206 -0.0778 0.0614 213 GLU A O +1520 C CB . GLU A 212 ? 1.2564 1.1240 0.9185 0.0183 -0.1048 0.0776 213 GLU A CB +1521 C CG . GLU A 212 ? 1.3548 1.2131 1.0060 0.0212 -0.1156 0.0921 213 GLU A CG +1522 C CD . GLU A 212 ? 1.4143 1.2808 1.0908 0.0218 -0.1018 0.1002 213 GLU A CD +1523 O OE1 . GLU A 212 ? 1.4311 1.3088 1.1542 0.0196 -0.1002 0.0994 213 GLU A OE1 +1524 O OE2 . GLU A 212 ? 1.5235 1.3845 1.1748 0.0249 -0.0916 0.1072 213 GLU A OE2 +1525 N N . PRO A 213 ? 1.1621 0.9959 0.7005 0.0261 -0.1019 0.0707 214 PRO A N +1526 C CA . PRO A 213 ? 1.1760 1.0036 0.6801 0.0299 -0.0830 0.0706 214 PRO A CA +1527 C C . PRO A 213 ? 1.1774 1.0097 0.6917 0.0318 -0.0683 0.0833 214 PRO A C +1528 O O . PRO A 213 ? 1.2187 1.0555 0.7580 0.0306 -0.0765 0.0918 214 PRO A O +1529 C CB . PRO A 213 ? 1.2291 1.0338 0.6782 0.0347 -0.0948 0.0702 214 PRO A CB +1530 C CG . PRO A 213 ? 1.2334 1.0335 0.6923 0.0321 -0.1238 0.0669 214 PRO A CG +1531 C CD . PRO A 213 ? 1.1954 1.0125 0.7091 0.0278 -0.1273 0.0738 214 PRO A CD +1532 N N . ILE A 214 ? 1.1547 0.9865 0.6561 0.0344 -0.0474 0.0847 215 ILE A N +1533 C CA . ILE A 214 ? 1.1702 1.0015 0.6737 0.0375 -0.0342 0.0996 215 ILE A CA +1534 C C . ILE A 214 ? 1.2534 1.0638 0.7023 0.0442 -0.0338 0.1085 215 ILE A C +1535 O O . ILE A 214 ? 1.2551 1.0525 0.6671 0.0459 -0.0430 0.0995 215 ILE A O +1536 C CB . ILE A 214 ? 1.0971 0.9396 0.6256 0.0366 -0.0122 0.0979 215 ILE A CB +1537 C CG1 . ILE A 214 ? 1.0601 0.8997 0.5696 0.0374 -0.0019 0.0871 215 ILE A CG1 +1538 C CG2 . ILE A 214 ? 1.0692 0.9285 0.6473 0.0313 -0.0138 0.0925 215 ILE A CG2 +1539 C CD1 . ILE A 214 ? 1.0419 0.8872 0.5686 0.0383 0.0192 0.0900 215 ILE A CD1 +1540 N N . SER A 215 ? 1.3144 1.1205 0.7576 0.0480 -0.0235 0.1252 216 SER A N +1541 C CA . SER A 215 ? 1.4375 1.2226 0.8256 0.0557 -0.0156 0.1364 216 SER A CA +1542 C C . SER A 215 ? 1.4749 1.2605 0.8592 0.0593 0.0143 0.1376 216 SER A C +1543 O O . SER A 215 ? 1.4789 1.2820 0.9107 0.0556 0.0262 0.1359 216 SER A O +1544 C CB . SER A 215 ? 1.4291 1.2081 0.8137 0.0581 -0.0216 0.1568 216 SER A CB +1545 N N . VAL A 216 ? 1.5309 1.2968 0.8611 0.0665 0.0256 0.1396 217 VAL A N +1546 C CA . VAL A 216 ? 1.5280 1.2901 0.8515 0.0724 0.0576 0.1487 217 VAL A CA +1547 C C . VAL A 216 ? 1.5930 1.3284 0.8498 0.0819 0.0647 0.1619 217 VAL A C +1548 O O . VAL A 216 ? 1.5899 1.3061 0.7937 0.0845 0.0464 0.1546 217 VAL A O +1549 C CB . VAL A 216 ? 1.4358 1.2027 0.7683 0.0718 0.0718 0.1330 217 VAL A CB +1550 N N . SER A 217 ? 1.5825 1.3153 0.8412 0.0872 0.0901 0.1813 218 SER A N +1551 C CA . SER A 217 ? 1.6241 1.3306 0.8181 0.0976 0.1042 0.1970 218 SER A CA +1552 C C . SER A 217 ? 1.6789 1.3670 0.8226 0.1047 0.1215 0.1845 218 SER A C +1553 O O . SER A 217 ? 1.5945 1.2948 0.7701 0.1020 0.1324 0.1706 218 SER A O +1554 C CB . SER A 217 ? 1.6144 1.3260 0.8353 0.1009 0.1296 0.2221 218 SER A CB +1555 O OG . SER A 217 ? 1.5785 1.2952 0.8216 0.1040 0.1626 0.2226 218 SER A OG +1556 N N . SER A 218 ? 1.8367 1.4945 0.9025 0.1140 0.1239 0.1896 219 SER A N +1557 C CA . SER A 218 ? 1.8830 1.5171 0.8906 0.1235 0.1458 0.1805 219 SER A CA +1558 C C . SER A 218 ? 1.8972 1.5417 0.9427 0.1271 0.1880 0.1895 219 SER A C +1559 O O . SER A 218 ? 1.8768 1.5216 0.9276 0.1284 0.2020 0.1734 219 SER A O +1560 C CB . SER A 218 ? 1.9209 1.5191 0.8377 0.1339 0.1440 0.1896 219 SER A CB +1561 N N . GLU A 219 ? 1.9035 1.5574 0.9821 0.1280 0.2054 0.2144 220 GLU A N +1562 C CA . GLU A 219 ? 1.8617 1.5279 0.9908 0.1306 0.2439 0.2278 220 GLU A CA +1563 C C . GLU A 219 ? 1.7663 1.4591 0.9684 0.1217 0.2415 0.2108 220 GLU A C +1564 O O . GLU A 219 ? 1.7113 1.4105 0.9496 0.1244 0.2716 0.2153 220 GLU A O +1565 C CB . GLU A 219 ? 1.8292 1.5040 0.9919 0.1304 0.2515 0.2563 220 GLU A CB +1566 N N . GLN A 220 ? 1.7139 1.4205 0.9369 0.1119 0.2076 0.1927 221 GLN A N +1567 C CA . GLN A 220 ? 1.6723 1.4043 0.9633 0.1024 0.2002 0.1780 221 GLN A CA +1568 C C . GLN A 220 ? 1.7206 1.4464 0.9895 0.1025 0.1965 0.1543 221 GLN A C +1569 O O . GLN A 220 ? 1.6360 1.3743 0.9484 0.1000 0.2084 0.1468 221 GLN A O +1570 C CB . GLN A 220 ? 1.6141 1.3644 0.9430 0.0924 0.1689 0.1753 221 GLN A CB +1571 C CG . GLN A 220 ? 1.5728 1.3371 0.9537 0.0901 0.1756 0.1950 221 GLN A CG +1572 C CD . GLN A 220 ? 1.5075 1.2892 0.9292 0.0808 0.1477 0.1902 221 GLN A CD +1573 O OE1 . GLN A 220 ? 1.4528 1.2314 0.8508 0.0779 0.1220 0.1815 221 GLN A OE1 +1574 N NE2 . GLN A 220 ? 1.4420 1.2414 0.9282 0.0764 0.1529 0.1960 221 GLN A NE2 +1575 N N . VAL A 221 ? 1.8287 1.5352 1.0350 0.1053 0.1789 0.1431 222 VAL A N +1576 C CA . VAL A 221 ? 1.8664 1.5645 1.0489 0.1055 0.1718 0.1197 222 VAL A CA +1577 C C . VAL A 221 ? 1.9603 1.6408 1.1141 0.1160 0.2070 0.1197 222 VAL A C +1578 O O . VAL A 221 ? 1.9443 1.6293 1.1183 0.1148 0.2133 0.1049 222 VAL A O +1579 C CB . VAL A 221 ? 1.8748 1.5569 1.0050 0.1048 0.1390 0.1080 222 VAL A CB +1580 C CG1 . VAL A 221 ? 1.9531 1.6003 0.9986 0.1164 0.1467 0.1102 222 VAL A CG1 +1581 C CG2 . VAL A 221 ? 1.8522 1.5415 0.9982 0.0984 0.1186 0.0844 222 VAL A CG2 +1582 N N . LEU A 222 ? 2.0718 1.7332 1.1838 0.1261 0.2309 0.1370 223 LEU A N +1583 C CA . LEU A 222 ? 2.1439 1.7867 1.2279 0.1378 0.2706 0.1401 223 LEU A CA +1584 C C . LEU A 222 ? 2.1045 1.7699 1.2676 0.1354 0.2974 0.1473 223 LEU A C +1585 O O . LEU A 222 ? 2.1490 1.8081 1.3145 0.1404 0.3197 0.1382 223 LEU A O +1586 C CB . LEU A 222 ? 2.1705 1.7880 1.1915 0.1490 0.2897 0.1604 223 LEU A CB +1587 N N . LYS A 223 ? 2.0263 1.7158 1.2540 0.1283 0.2943 0.1622 224 LYS A N +1588 C CA . LYS A 223 ? 1.9331 1.6436 1.2415 0.1254 0.3150 0.1702 224 LYS A CA +1589 C C . LYS A 223 ? 1.8543 1.5815 1.2056 0.1166 0.2973 0.1488 224 LYS A C +1590 O O . LYS A 223 ? 1.7680 1.5069 1.1765 0.1156 0.3147 0.1510 224 LYS A O +1591 C CB . LYS A 223 ? 1.8828 1.6113 1.2447 0.1204 0.3126 0.1906 224 LYS A CB +1592 C CG . LYS A 223 ? 1.8776 1.5940 1.2238 0.1298 0.3426 0.2177 224 LYS A CG +1593 N N . PHE A 224 ? 1.8398 1.5671 1.1660 0.1107 0.2643 0.1304 225 PHE A N +1594 C CA . PHE A 224 ? 1.7920 1.5328 1.1489 0.1023 0.2443 0.1101 225 PHE A CA +1595 C C . PHE A 224 ? 1.8047 1.5305 1.1365 0.1084 0.2587 0.0955 225 PHE A C +1596 O O . PHE A 224 ? 1.7768 1.5138 1.1411 0.1022 0.2472 0.0812 225 PHE A O +1597 C CB . PHE A 224 ? 1.7538 1.4992 1.0944 0.0946 0.2064 0.0986 225 PHE A CB +1598 N N . ARG A 225 ? 1.8403 1.5405 1.1154 0.1202 0.2828 0.0987 226 ARG A N +1599 C CA . ARG A 225 ? 1.8276 1.5089 1.0728 0.1281 0.3007 0.0843 226 ARG A CA +1600 C C . ARG A 225 ? 1.8325 1.5091 1.0993 0.1373 0.3456 0.0985 226 ARG A C +1601 O O . ARG A 225 ? 1.6985 1.3790 1.0010 0.1379 0.3594 0.0904 226 ARG A O +1602 C CB . ARG A 225 ? 1.8560 1.5074 1.0119 0.1351 0.2902 0.0727 226 ARG A CB +1603 C CG . ARG A 225 ? 1.8394 1.4957 0.9817 0.1261 0.2458 0.0605 226 ARG A CG +1604 C CD . ARG A 225 ? 1.9293 1.5540 0.9870 0.1329 0.2320 0.0481 226 ARG A CD +1605 N NE . ARG A 225 ? 1.9511 1.5807 1.0034 0.1242 0.1891 0.0374 226 ARG A NE +1606 C CZ . ARG A 225 ? 1.9700 1.5939 0.9921 0.1228 0.1663 0.0449 226 ARG A CZ +1607 N NH1 . ARG A 225 ? 1.9751 1.5880 0.9658 0.1294 0.1812 0.0641 226 ARG A NH1 +1608 N NH2 . ARG A 225 ? 1.9487 1.5783 0.9761 0.1148 0.1287 0.0343 226 ARG A NH2 +1609 N N . LYS A 226 ? 1.9463 1.6155 1.1975 0.1440 0.3677 0.1202 227 LYS A N +1610 C CA . LYS A 226 ? 1.9593 1.6237 1.2337 0.1536 0.4141 0.1385 227 LYS A CA +1611 C C . LYS A 226 ? 1.9072 1.6016 1.2839 0.1453 0.4176 0.1476 227 LYS A C +1612 O O . LYS A 226 ? 1.8306 1.5383 1.2479 0.1379 0.4014 0.1306 227 LYS A O +1613 C CB . LYS A 226 ? 1.9401 1.5907 1.1739 0.1616 0.4323 0.1619 227 LYS A CB +1614 N N . MET A 239 ? 2.0442 1.7174 1.3396 0.1263 0.2973 0.0113 240 MET A N +1615 C CA . MET A 239 ? 1.9995 1.6949 1.3306 0.1128 0.2597 0.0046 240 MET A CA +1616 C C . MET A 239 ? 1.9780 1.6666 1.2590 0.1099 0.2296 0.0000 240 MET A C +1617 O O . MET A 239 ? 1.9828 1.6845 1.2747 0.1049 0.2188 0.0130 240 MET A O +1618 C CB . MET A 239 ? 1.9699 1.6942 1.3714 0.1040 0.2572 0.0204 240 MET A CB +1619 C CG . MET A 239 ? 1.9474 1.6927 1.3829 0.0912 0.2225 0.0142 240 MET A CG +1620 S SD . MET A 239 ? 1.8890 1.6637 1.4035 0.0815 0.2183 0.0292 240 MET A SD +1621 C CE . MET A 239 ? 1.8662 1.6431 1.4323 0.0838 0.2393 0.0278 240 MET A CE +1622 N N . VAL A 240 ? 1.9503 1.6188 1.1829 0.1129 0.2152 -0.0181 241 VAL A N +1623 C CA . VAL A 240 ? 1.9289 1.5864 1.1119 0.1112 0.1848 -0.0238 241 VAL A CA +1624 C C . VAL A 240 ? 1.8573 1.5180 1.0516 0.1041 0.1543 -0.0422 241 VAL A C +1625 O O . VAL A 240 ? 1.8158 1.4827 1.0453 0.1024 0.1600 -0.0509 241 VAL A O +1626 C CB . VAL A 240 ? 1.9780 1.6008 1.0789 0.1236 0.1958 -0.0262 241 VAL A CB +1627 N N . ASP A 241 ? 1.8521 1.5098 1.0227 0.1000 0.1230 -0.0460 242 ASP A N +1628 C CA . ASP A 241 ? 1.8191 1.4783 0.9981 0.0932 0.0902 -0.0612 242 ASP A CA +1629 C C . ASP A 241 ? 1.7352 1.4226 0.9852 0.0833 0.0859 -0.0614 242 ASP A C +1630 O O . ASP A 241 ? 1.7363 1.4221 0.9979 0.0800 0.0696 -0.0754 242 ASP A O +1631 C CB . ASP A 241 ? 1.8330 1.4595 0.9574 0.1014 0.0862 -0.0810 242 ASP A CB +1632 N N . ASN A 242 ? 1.6500 1.3617 0.9457 0.0782 0.0962 -0.0462 243 ASN A N +1633 C CA . ASN A 242 ? 1.5529 1.2887 0.9114 0.0701 0.0956 -0.0443 243 ASN A CA +1634 C C . ASN A 242 ? 1.4949 1.2489 0.8795 0.0599 0.0683 -0.0429 243 ASN A C +1635 O O . ASN A 242 ? 1.3885 1.1628 0.8093 0.0540 0.0686 -0.0319 243 ASN A O +1636 C CB . ASN A 242 ? 1.5267 1.2756 0.9200 0.0706 0.1199 -0.0302 243 ASN A CB +1637 C CG . ASN A 242 ? 1.5267 1.2883 0.9291 0.0676 0.1185 -0.0146 243 ASN A CG +1638 O OD1 . ASN A 242 ? 1.5586 1.3159 0.9325 0.0672 0.1045 -0.0127 243 ASN A OD1 +1639 N ND2 . ASN A 242 ? 1.5061 1.2824 0.9508 0.0655 0.1322 -0.0033 243 ASN A ND2 +1640 N N . TRP A 243 ? 1.5412 1.2868 0.9100 0.0582 0.0460 -0.0543 244 TRP A N +1641 C CA . TRP A 243 ? 1.5167 1.2760 0.9087 0.0497 0.0204 -0.0542 244 TRP A CA +1642 C C . TRP A 243 ? 1.4938 1.2484 0.8975 0.0475 0.0071 -0.0680 244 TRP A C +1643 O O . TRP A 243 ? 1.5491 1.2961 0.9547 0.0512 0.0203 -0.0751 244 TRP A O +1644 C CB . TRP A 243 ? 1.5864 1.3385 0.9484 0.0504 0.0045 -0.0508 244 TRP A CB +1645 C CG . TRP A 243 ? 1.7127 1.4362 1.0166 0.0589 0.0021 -0.0588 244 TRP A CG +1646 C CD1 . TRP A 243 ? 1.7416 1.4493 1.0063 0.0677 0.0230 -0.0554 244 TRP A CD1 +1647 C CD2 . TRP A 243 ? 1.8241 1.5291 1.1004 0.0600 -0.0231 -0.0713 244 TRP A CD2 +1648 N NE1 . TRP A 243 ? 1.8403 1.5195 1.0485 0.0745 0.0131 -0.0654 244 TRP A NE1 +1649 C CE2 . TRP A 243 ? 1.8694 1.5459 1.0838 0.0698 -0.0170 -0.0761 244 TRP A CE2 +1650 C CE3 . TRP A 243 ? 1.8595 1.5680 1.1582 0.0538 -0.0504 -0.0786 244 TRP A CE3 +1651 C CZ2 . TRP A 243 ? 1.9196 1.5698 1.0908 0.0734 -0.0402 -0.0894 244 TRP A CZ2 +1652 C CZ3 . TRP A 243 ? 1.8855 1.5700 1.1493 0.0570 -0.0734 -0.0910 244 TRP A CZ3 +1653 C CH2 . TRP A 243 ? 1.8932 1.5481 1.0921 0.0666 -0.0698 -0.0971 244 TRP A CH2 +1654 N N . ARG A 244 ? 1.4013 1.1596 0.8162 0.0421 -0.0171 -0.0711 245 ARG A N +1655 C CA . ARG A 244 ? 1.3538 1.1129 0.7943 0.0382 -0.0308 -0.0808 245 ARG A CA +1656 C C . ARG A 244 ? 1.3191 1.0715 0.7539 0.0359 -0.0583 -0.0857 245 ARG A C +1657 O O . ARG A 244 ? 1.2381 0.9987 0.6756 0.0330 -0.0667 -0.0768 245 ARG A O +1658 C CB . ARG A 244 ? 1.3200 1.1037 0.8110 0.0308 -0.0259 -0.0715 245 ARG A CB +1659 C CG . ARG A 244 ? 1.2871 1.0736 0.8096 0.0268 -0.0350 -0.0777 245 ARG A CG +1660 C CD . ARG A 244 ? 1.2158 1.0249 0.7804 0.0188 -0.0379 -0.0664 245 ARG A CD +1661 N NE . ARG A 244 ? 1.2073 1.0189 0.8030 0.0151 -0.0459 -0.0699 245 ARG A NE +1662 C CZ . ARG A 244 ? 1.1446 0.9729 0.7757 0.0086 -0.0487 -0.0603 245 ARG A CZ +1663 N NH1 . ARG A 244 ? 1.1069 0.9496 0.7442 0.0052 -0.0444 -0.0485 245 ARG A NH1 +1664 N NH2 . ARG A 244 ? 1.1023 0.9313 0.7612 0.0058 -0.0552 -0.0623 245 ARG A NH2 +1665 N N . PRO A 245 ? 1.3754 1.1123 0.8060 0.0369 -0.0742 -0.0999 246 PRO A N +1666 C CA . PRO A 245 ? 1.3984 1.1279 0.8288 0.0346 -0.1031 -0.1044 246 PRO A CA +1667 C C . PRO A 245 ? 1.3410 1.0946 0.8239 0.0257 -0.1130 -0.0932 246 PRO A C +1668 O O . PRO A 245 ? 1.3236 1.0932 0.8450 0.0212 -0.1052 -0.0890 246 PRO A O +1669 C CB . PRO A 245 ? 1.4084 1.1173 0.8328 0.0371 -0.1167 -0.1228 246 PRO A CB +1670 C CG . PRO A 245 ? 1.4110 1.1234 0.8483 0.0389 -0.0936 -0.1259 246 PRO A CG +1671 C CD . PRO A 245 ? 1.4169 1.1409 0.8448 0.0408 -0.0667 -0.1131 246 PRO A CD +1672 N N . ALA A 246 ? 1.3359 1.0906 0.8184 0.0238 -0.1294 -0.0878 247 ALA A N +1673 C CA . ALA A 246 ? 1.2943 1.0626 0.8236 0.0169 -0.1464 -0.0819 247 ALA A CA +1674 C C . ALA A 246 ? 1.2462 1.0205 0.8156 0.0131 -0.1482 -0.0860 247 ALA A C +1675 O O . ALA A 246 ? 1.2667 1.0233 0.8262 0.0157 -0.1582 -0.1001 247 ALA A O +1676 C CB . ALA A 246 ? 1.3608 1.1128 0.8769 0.0180 -0.1749 -0.0868 247 ALA A CB +1677 N N . GLN A 247 ? 1.1682 0.9654 0.7801 0.0074 -0.1385 -0.0738 248 GLN A N +1678 C CA . GLN A 247 ? 1.1258 0.9319 0.7780 0.0033 -0.1361 -0.0729 248 GLN A CA +1679 C C . GLN A 247 ? 1.1262 0.9391 0.8226 -0.0015 -0.1534 -0.0679 248 GLN A C +1680 O O . GLN A 247 ? 1.1047 0.9208 0.8059 -0.0025 -0.1616 -0.0621 248 GLN A O +1681 C CB . GLN A 247 ? 1.0847 0.9095 0.7486 0.0010 -0.1125 -0.0614 248 GLN A CB +1682 C CG . GLN A 247 ? 1.0657 0.8844 0.6975 0.0056 -0.0958 -0.0658 248 GLN A CG +1683 C CD . GLN A 247 ? 1.0580 0.8615 0.6862 0.0084 -0.0993 -0.0790 248 GLN A CD +1684 O OE1 . GLN A 247 ? 1.0632 0.8678 0.7235 0.0052 -0.1092 -0.0809 248 GLN A OE1 +1685 N NE2 . GLN A 247 ? 1.0677 0.8564 0.6588 0.0147 -0.0902 -0.0878 248 GLN A NE2 +1686 N N . PRO A 248 ? 1.1664 0.9815 0.9008 -0.0047 -0.1588 -0.0688 249 PRO A N +1687 C CA . PRO A 248 ? 1.1966 1.0192 0.9813 -0.0094 -0.1730 -0.0619 249 PRO A CA +1688 C C . PRO A 248 ? 1.2083 1.0529 1.0168 -0.0128 -0.1573 -0.0439 249 PRO A C +1689 O O . PRO A 248 ? 1.2215 1.0781 1.0266 -0.0136 -0.1358 -0.0358 249 PRO A O +1690 C CB . PRO A 248 ? 1.1827 1.0052 1.0026 -0.0117 -0.1754 -0.0642 249 PRO A CB +1691 C CG . PRO A 248 ? 1.1934 1.0026 0.9754 -0.0073 -0.1681 -0.0773 249 PRO A CG +1692 C CD . PRO A 248 ? 1.1629 0.9742 0.8989 -0.0038 -0.1507 -0.0750 249 PRO A CD +1693 N N . LEU A 249 ? 1.2168 1.0648 1.0490 -0.0144 -0.1686 -0.0382 250 LEU A N +1694 C CA . LEU A 249 ? 1.1832 1.0498 1.0397 -0.0168 -0.1534 -0.0223 250 LEU A CA +1695 C C . LEU A 249 ? 1.1318 1.0124 1.0365 -0.0207 -0.1420 -0.0102 250 LEU A C +1696 O O . LEU A 249 ? 1.0910 0.9857 1.0041 -0.0216 -0.1219 0.0022 250 LEU A O +1697 C CB . LEU A 249 ? 1.2301 1.0941 1.1026 -0.0169 -0.1708 -0.0207 250 LEU A CB +1698 C CG . LEU A 249 ? 1.2294 1.1100 1.1257 -0.0182 -0.1556 -0.0063 250 LEU A CG +1699 C CD1 . LEU A 249 ? 1.2275 1.1151 1.0854 -0.0162 -0.1315 -0.0035 250 LEU A CD1 +1700 C CD2 . LEU A 249 ? 1.2601 1.1359 1.1697 -0.0178 -0.1752 -0.0057 250 LEU A CD2 +1701 N N . LYS A 250 ? 1.1431 1.0184 1.0774 -0.0225 -0.1544 -0.0137 251 LYS A N +1702 C CA . LYS A 250 ? 1.1426 1.0295 1.1259 -0.0261 -0.1448 -0.0009 251 LYS A CA +1703 C C . LYS A 250 ? 1.1746 1.0758 1.1968 -0.0279 -0.1346 0.0153 251 LYS A C +1704 O O . LYS A 250 ? 1.1861 1.0843 1.2282 -0.0279 -0.1505 0.0138 251 LYS A O +1705 C CB . LYS A 250 ? 1.1397 1.0321 1.1025 -0.0261 -0.1242 0.0031 251 LYS A CB +1706 C CG . LYS A 250 ? 1.1499 1.0291 1.0765 -0.0237 -0.1299 -0.0120 251 LYS A CG +1707 C CD . LYS A 250 ? 1.1617 1.0347 1.1169 -0.0252 -0.1395 -0.0163 251 LYS A CD +1708 C CE . LYS A 250 ? 1.1789 1.0429 1.1012 -0.0226 -0.1353 -0.0272 251 LYS A CE +1709 N NZ . LYS A 250 ? 1.1689 1.0308 1.1251 -0.0245 -0.1390 -0.0272 251 LYS A NZ +1710 N N . ASN A 251 ? 1.1840 1.0988 1.2165 -0.0289 -0.1092 0.0304 252 ASN A N +1711 C CA . ASN A 251 ? 1.1851 1.1125 1.2597 -0.0299 -0.0947 0.0472 252 ASN A CA +1712 C C . ASN A 251 ? 1.1607 1.0913 1.2102 -0.0274 -0.0859 0.0471 252 ASN A C +1713 O O . ASN A 251 ? 1.2162 1.1543 1.3027 -0.0275 -0.0796 0.0570 252 ASN A O +1714 C CB . ASN A 251 ? 1.1489 1.0860 1.2392 -0.0311 -0.0709 0.0634 252 ASN A CB +1715 N N . ARG A 252 ? 1.1070 1.0318 1.1011 -0.0252 -0.0862 0.0365 253 ARG A N +1716 C CA . ARG A 252 ? 1.0706 0.9995 1.0356 -0.0228 -0.0723 0.0377 253 ARG A CA +1717 C C . ARG A 252 ? 1.0563 0.9843 1.0401 -0.0220 -0.0847 0.0367 253 ARG A C +1718 O O . ARG A 252 ? 1.0524 0.9702 1.0361 -0.0221 -0.1098 0.0275 253 ARG A O +1719 C CB . ARG A 252 ? 1.0314 0.9535 0.9389 -0.0208 -0.0719 0.0270 253 ARG A CB +1720 C CG . ARG A 252 ? 0.9837 0.9069 0.8718 -0.0214 -0.0596 0.0287 253 ARG A CG +1721 C CD . ARG A 252 ? 0.9413 0.8568 0.7826 -0.0193 -0.0623 0.0176 253 ARG A CD +1722 N NE . ARG A 252 ? 0.9051 0.8086 0.7381 -0.0184 -0.0815 0.0053 253 ARG A NE +1723 C CZ . ARG A 252 ? 0.8825 0.7771 0.6772 -0.0157 -0.0837 -0.0045 253 ARG A CZ +1724 N NH1 . ARG A 252 ? 0.8737 0.7715 0.6409 -0.0144 -0.0696 -0.0030 253 ARG A NH1 +1725 N NH2 . ARG A 252 ? 0.9258 0.8070 0.7099 -0.0140 -0.0995 -0.0162 253 ARG A NH2 +1726 N N . GLN A 253 ? 1.0804 1.0172 1.0759 -0.0208 -0.0672 0.0454 254 GLN A N +1727 C CA . GLN A 253 ? 1.0749 1.0121 1.0822 -0.0194 -0.0737 0.0455 254 GLN A CA +1728 C C . GLN A 253 ? 1.0361 0.9693 0.9899 -0.0169 -0.0708 0.0378 254 GLN A C +1729 O O . GLN A 253 ? 0.9816 0.9175 0.9033 -0.0157 -0.0514 0.0379 254 GLN A O +1730 C CB . GLN A 253 ? 1.0991 1.0475 1.1474 -0.0187 -0.0521 0.0586 254 GLN A CB +1731 C CG . GLN A 253 ? 1.1313 1.0855 1.2385 -0.0207 -0.0488 0.0699 254 GLN A CG +1732 C CD . GLN A 253 ? 1.1519 1.1038 1.3117 -0.0226 -0.0750 0.0705 254 GLN A CD +1733 O OE1 . GLN A 253 ? 1.1929 1.1433 1.3606 -0.0217 -0.0862 0.0686 254 GLN A OE1 +1734 N NE2 . GLN A 253 ? 1.1933 1.1445 1.3928 -0.0254 -0.0863 0.0738 254 GLN A NE2 +1735 N N . ILE A 254 ? 1.0041 0.9302 0.9501 -0.0160 -0.0904 0.0323 255 ILE A N +1736 C CA . ILE A 254 ? 0.9959 0.9196 0.9048 -0.0134 -0.0871 0.0287 255 ILE A CA +1737 C C . ILE A 254 ? 0.9886 0.9198 0.9310 -0.0125 -0.0801 0.0365 255 ILE A C +1738 O O . ILE A 254 ? 1.0595 0.9898 1.0412 -0.0135 -0.0971 0.0400 255 ILE A O +1739 C CB . ILE A 254 ? 0.9983 0.9080 0.8758 -0.0123 -0.1116 0.0196 255 ILE A CB +1740 C CG1 . ILE A 254 ? 1.0051 0.9070 0.8559 -0.0127 -0.1158 0.0113 255 ILE A CG1 +1741 C CG2 . ILE A 254 ? 1.0028 0.9103 0.8458 -0.0096 -0.1073 0.0184 255 ILE A CG2 +1742 C CD1 . ILE A 254 ? 1.0436 0.9298 0.8468 -0.0099 -0.1306 0.0011 255 ILE A CD1 +1743 N N . LYS A 255 ? 0.9541 0.8913 0.8837 -0.0106 -0.0570 0.0388 256 LYS A N +1744 C CA . LYS A 255 ? 0.9438 0.8875 0.9030 -0.0089 -0.0458 0.0449 256 LYS A CA +1745 C C . LYS A 255 ? 0.9201 0.8587 0.8548 -0.0071 -0.0557 0.0410 256 LYS A C +1746 O O . LYS A 255 ? 0.9512 0.8829 0.8410 -0.0067 -0.0621 0.0344 256 LYS A O +1747 C CB . LYS A 255 ? 0.9685 0.9184 0.9234 -0.0070 -0.0149 0.0479 256 LYS A CB +1748 C CG . LYS A 255 ? 1.0303 0.9841 1.0018 -0.0082 -0.0017 0.0538 256 LYS A CG +1749 C CD . LYS A 255 ? 1.1025 1.0574 1.0476 -0.0059 0.0262 0.0549 256 LYS A CD +1750 C CE . LYS A 255 ? 1.1492 1.1090 1.1253 -0.0054 0.0466 0.0657 256 LYS A CE +1751 N NZ . LYS A 255 ? 1.1756 1.1349 1.1385 -0.0012 0.0757 0.0677 256 LYS A NZ +1752 N N . ALA A 256 ? 0.8857 0.8276 0.8512 -0.0059 -0.0561 0.0459 257 ALA A N +1753 C CA . ALA A 256 ? 0.8961 0.8332 0.8436 -0.0044 -0.0668 0.0445 257 ALA A CA +1754 C C . ALA A 256 ? 0.8628 0.8066 0.8326 -0.0020 -0.0478 0.0480 257 ALA A C +1755 O O . ALA A 256 ? 0.8298 0.7802 0.8468 -0.0017 -0.0379 0.0538 257 ALA A O +1756 C CB . ALA A 256 ? 0.9122 0.8423 0.8757 -0.0056 -0.0976 0.0469 257 ALA A CB +1757 N N . SER A 257 ? 0.8605 0.8018 0.7999 -0.0001 -0.0425 0.0446 258 SER A N +1758 C CA . SER A 257 ? 0.8675 0.8129 0.8219 0.0026 -0.0236 0.0452 258 SER A CA +1759 C C . SER A 257 ? 0.8992 0.8459 0.8950 0.0032 -0.0360 0.0521 258 SER A C +1760 O O . SER A 257 ? 0.8945 0.8445 0.9114 0.0057 -0.0210 0.0527 258 SER A O +1761 C CB . SER A 257 ? 0.8623 0.8041 0.7735 0.0040 -0.0155 0.0389 258 SER A CB +1762 O OG . SER A 257 ? 0.8847 0.8210 0.7775 0.0039 -0.0341 0.0404 258 SER A OG +1763 N N . PHE A 258 ? 0.9581 0.9008 0.9658 0.0012 -0.0633 0.0567 259 PHE A N +1764 C CA . PHE A 258 ? 0.9831 0.9247 1.0238 0.0016 -0.0805 0.0643 259 PHE A CA +1765 C C . PHE A 258 ? 1.0470 0.9892 1.1386 -0.0005 -0.1008 0.0713 259 PHE A C +1766 O O . PHE A 258 ? 1.0272 0.9642 1.1092 -0.0029 -0.1185 0.0695 259 PHE A O +1767 C CB . PHE A 258 ? 1.0096 0.9416 1.0054 0.0022 -0.0976 0.0641 259 PHE A CB +1768 C CG . PHE A 258 ? 1.0413 0.9630 0.9989 0.0007 -0.1195 0.0614 259 PHE A CG +1769 C CD1 . PHE A 258 ? 1.0663 0.9804 1.0399 -0.0007 -0.1495 0.0661 259 PHE A CD1 +1770 C CD2 . PHE A 258 ? 1.0625 0.9805 0.9694 0.0009 -0.1109 0.0537 259 PHE A CD2 +1771 C CE1 . PHE A 258 ? 1.0918 0.9933 1.0261 -0.0013 -0.1700 0.0615 259 PHE A CE1 +1772 C CE2 . PHE A 258 ? 1.1077 1.0146 0.9797 0.0004 -0.1293 0.0501 259 PHE A CE2 +1773 C CZ . PHE A 258 ? 1.1139 1.0117 0.9968 -0.0005 -0.1584 0.0532 259 PHE A CZ +1774 N N . LYS A 259 ? 1.1027 1.0505 1.2511 0.0004 -0.0987 0.0788 260 LYS A N +1775 C CA . LYS A 259 ? 1.1347 1.0858 1.3526 -0.0011 -0.1136 0.0879 260 LYS A CA +1776 C C . LYS A 259 ? 1.1593 1.1027 1.3874 -0.0020 -0.1473 0.0949 260 LYS A C +1777 O O . LYS A 259 ? 1.1977 1.1326 1.3725 -0.0012 -0.1576 0.0926 260 LYS A O +1778 C CB . LYS A 259 ? 1.1200 1.0824 1.3957 0.0013 -0.0832 0.0920 260 LYS A CB +1779 O OAA . 4SO B 1 ? 0.7732 0.6596 0.3878 0.0056 0.0081 -0.0005 301 4SO B OAA +1780 O OAB . 4SO B 1 ? 0.8853 0.7774 0.5920 -0.0045 0.0042 0.0117 301 4SO B OAB +1781 C CAC . 4SO B 1 ? 0.8552 0.7387 0.5226 0.0033 0.0174 -0.0003 301 4SO B CAC +1782 C CAD . 4SO B 1 ? 0.8580 0.7390 0.5032 0.0051 0.0158 -0.0040 301 4SO B CAD +1783 C CAE . 4SO B 1 ? 0.8242 0.7089 0.4608 0.0043 0.0130 -0.0018 301 4SO B CAE +1784 S SAF . 4SO B 1 ? 0.7972 0.6787 0.4125 0.0063 0.0088 -0.0046 301 4SO B SAF +1785 N NAG . 4SO B 1 ? 0.8562 0.7258 0.4523 0.0125 0.0168 -0.0078 301 4SO B NAG +1786 C CAH . 4SO B 1 ? 0.8670 0.7568 0.5686 -0.0017 0.0113 0.0088 301 4SO B CAH +1787 C CAI . 4SO B 1 ? 0.8553 0.7438 0.5337 0.0005 0.0141 0.0047 301 4SO B CAI +1788 C CAJ . 4SO B 1 ? 0.8627 0.7537 0.5294 0.0000 0.0118 0.0053 301 4SO B CAJ +1789 C CAK . 4SO B 1 ? 0.8512 0.7410 0.4988 0.0020 0.0123 0.0026 301 4SO B CAK +1790 O OAL . 4SO B 1 ? 0.7590 0.6402 0.3737 0.0043 -0.0007 -0.0089 301 4SO B OAL +1791 O O . A1IJ4 B 2 ? 0.8632 0.7465 0.7928 -0.0066 0.0031 0.0350 302 A1IJ4 B O +1792 C C . A1IJ4 B 2 ? 0.8386 0.7229 0.7897 -0.0117 -0.0150 0.0424 302 A1IJ4 B C +1793 C C118 . A1IJ4 B 2 ? 0.8105 0.6958 0.7201 -0.0154 -0.0309 0.0426 302 A1IJ4 B C118 +1794 C C119 . A1IJ4 B 2 ? 0.8055 0.6882 0.7059 -0.0207 -0.0544 0.0464 302 A1IJ4 B C119 +1795 C C120 . A1IJ4 B 2 ? 0.8008 0.6835 0.6706 -0.0198 -0.0521 0.0413 302 A1IJ4 B C120 +1796 C C121 . A1IJ4 B 2 ? 0.8112 0.6947 0.6346 -0.0203 -0.0513 0.0364 302 A1IJ4 B C121 +1797 C C122 . A1IJ4 B 2 ? 0.7862 0.6749 0.5718 -0.0146 -0.0254 0.0267 302 A1IJ4 B C122 +1798 C C123 . A1IJ4 B 2 ? 0.7843 0.6735 0.5480 -0.0172 -0.0324 0.0267 302 A1IJ4 B C123 +1799 N N31 . A1IJ4 B 2 ? 0.8210 0.7055 0.7632 -0.0162 -0.0330 0.0467 302 A1IJ4 B N31 +1800 O O71 . A1IJ4 B 2 ? 0.7981 0.6850 0.6145 -0.0158 -0.0319 0.0316 302 A1IJ4 B O71 +1801 C C124 . A1IJ4 B 2 ? 0.7973 0.6866 0.5770 -0.0099 -0.0093 0.0223 302 A1IJ4 B C124 +1802 C C125 . A1IJ4 B 2 ? 0.8067 0.6980 0.5483 -0.0152 -0.0236 0.0215 302 A1IJ4 B C125 +1803 C C126 . A1IJ4 B 2 ? 0.8102 0.7015 0.5463 -0.0107 -0.0105 0.0161 302 A1IJ4 B C126 +1804 C C127 . A1IJ4 B 2 ? 0.8049 0.6947 0.5578 -0.0078 -0.0026 0.0169 302 A1IJ4 B C127 +1805 C C128 . A1IJ4 B 2 ? 0.8285 0.7163 0.5767 -0.0026 0.0117 0.0140 302 A1IJ4 B C128 +1806 N N . A1IJ4 B 2 ? 0.8569 0.7440 0.5751 -0.0005 0.0154 0.0088 302 A1IJ4 B N +1807 C C2 . QUJ B 3 ? 0.7986 0.6798 0.8023 -0.0087 -0.0037 0.0425 303 QUJ B C2 +1808 C C3 . QUJ B 3 ? 0.7908 0.6684 0.7814 -0.0013 0.0212 0.0330 303 QUJ B C3 +1809 C C4 . QUJ B 3 ? 0.7866 0.6595 0.8017 0.0030 0.0352 0.0289 303 QUJ B C4 +1810 C C5 . QUJ B 3 ? 0.7702 0.6440 0.8279 0.0000 0.0248 0.0349 303 QUJ B C5 +1811 C C6 . QUJ B 3 ? 0.7756 0.6538 0.8467 -0.0077 -0.0010 0.0459 303 QUJ B C6 +1812 C C8 . QUJ B 3 ? 0.8228 0.7012 0.9356 -0.0112 -0.0139 0.0539 303 QUJ B C8 +1813 C C9 . QUJ B 3 ? 0.8042 0.6845 0.9241 -0.0186 -0.0417 0.0660 303 QUJ B C9 +1814 C CA . QUJ B 3 ? 0.7686 0.6498 0.8517 -0.0219 -0.0544 0.0678 303 QUJ B CA +1815 O O . QUJ B 3 ? 0.7416 0.6196 0.8572 -0.0317 -0.0969 0.0882 303 QUJ B O +1816 C C . QUJ B 3 ? 0.7458 0.6255 0.8261 -0.0284 -0.0818 0.0783 303 QUJ B C +1817 N N11 . QUJ B 3 ? 0.7310 0.6131 0.7779 -0.0184 -0.0403 0.0590 303 QUJ B N11 +1818 C C7 . QUJ B 3 ? 0.7659 0.6469 0.8078 -0.0118 -0.0152 0.0494 303 QUJ B C7 +1819 N N . QUJ B 3 ? 0.8232 0.7066 0.8056 -0.0131 -0.0200 0.0463 303 QUJ B N +1820 O OB . QUJ B 3 ? 0.9112 0.7861 1.0569 -0.0066 0.0013 0.0496 303 QUJ B OB +1821 C CG . QUJ B 3 ? 0.9514 0.8256 1.1067 -0.0095 -0.0092 0.0508 303 QUJ B CG +1822 C CD . QUJ B 3 ? 0.9472 0.8183 1.1623 -0.0059 0.0020 0.0516 303 QUJ B CD +1823 C CE2 . QUJ B 3 ? 0.9543 0.8188 1.1625 0.0039 0.0349 0.0374 303 QUJ B CE2 +1824 C CE1 . QUJ B 3 ? 0.9601 0.8301 1.1911 -0.0087 -0.0086 0.0531 303 QUJ B CE1 +1825 O O . ZY9 B 4 ? 0.7677 0.6490 0.5999 -0.0276 -0.0730 0.0500 304 ZY9 B O +1826 C C . ZY9 B 4 ? 0.7609 0.6424 0.6274 -0.0280 -0.0743 0.0543 304 ZY9 B C +1827 C C10 . ZY9 B 4 ? 0.7513 0.6283 0.6404 -0.0319 -0.0938 0.0638 304 ZY9 B C10 +1828 N N11 . ZY9 B 4 ? 0.7273 0.6049 0.6631 -0.0320 -0.0948 0.0689 304 ZY9 B N11 +1829 C C9 . ZY9 B 4 ? 0.7542 0.6246 0.6182 -0.0352 -0.1128 0.0676 304 ZY9 B C9 +1830 C C8 . ZY9 B 4 ? 0.7578 0.6217 0.6414 -0.0390 -0.1350 0.0770 304 ZY9 B C8 +1831 C C6 . ZY9 B 4 ? 0.7513 0.6171 0.6848 -0.0396 -0.1373 0.0835 304 ZY9 B C6 +1832 C C7 . ZY9 B 4 ? 0.7335 0.6066 0.6944 -0.0359 -0.1156 0.0791 304 ZY9 B C7 +1833 C C2 . ZY9 B 4 ? 0.7345 0.6082 0.7480 -0.0363 -0.1177 0.0855 304 ZY9 B C2 +1834 N N . ZY9 B 4 ? 0.7350 0.6137 0.7690 -0.0305 -0.0906 0.0768 304 ZY9 B N +1835 O OB . QVS B 5 ? 0.8336 0.7087 0.6971 -0.0023 0.0133 0.0100 305 QVS B OB +1836 C C8 . QVS B 5 ? 0.7936 0.6734 0.6820 -0.0078 -0.0011 0.0208 305 QVS B C8 +1837 C C9 . QVS B 5 ? 0.7785 0.6575 0.7048 -0.0094 -0.0061 0.0256 305 QVS B C9 +1838 C CA . QVS B 5 ? 0.7781 0.6602 0.7233 -0.0152 -0.0240 0.0376 305 QVS B CA +1839 C C . QVS B 5 ? 0.7766 0.6582 0.7612 -0.0178 -0.0328 0.0451 305 QVS B C +1840 O O . QVS B 5 ? 0.7680 0.6467 0.7818 -0.0143 -0.0221 0.0410 305 QVS B O +1841 N N11 . QVS B 5 ? 0.7830 0.6673 0.7067 -0.0186 -0.0352 0.0425 305 QVS B N11 +1842 C C7 . QVS B 5 ? 0.7784 0.6637 0.6675 -0.0169 -0.0291 0.0368 305 QVS B C7 +1843 C C6 . QVS B 5 ? 0.7868 0.6705 0.6593 -0.0116 -0.0119 0.0266 305 QVS B C6 +1844 C C5 . QVS B 5 ? 0.7772 0.6616 0.6168 -0.0098 -0.0066 0.0218 305 QVS B C5 +1845 C C4 . QVS B 5 ? 0.7939 0.6810 0.6201 -0.0133 -0.0173 0.0265 305 QVS B C4 +1846 C C3 . QVS B 5 ? 0.7807 0.6679 0.6194 -0.0181 -0.0339 0.0350 305 QVS B C3 +1847 C C2 . QVS B 5 ? 0.7715 0.6576 0.6402 -0.0202 -0.0409 0.0408 305 QVS B C2 +1848 N N . QVS B 5 ? 0.7746 0.6589 0.6585 -0.0246 -0.0587 0.0501 305 QVS B N +1849 O O . QUK B 6 ? 0.8556 0.7252 0.7083 -0.0407 -0.1235 0.0875 306 QUK B O +1850 C C . QUK B 6 ? 0.8297 0.7058 0.7094 -0.0379 -0.1080 0.0813 306 QUK B C +1851 C C10 . QUK B 6 ? 0.8172 0.6941 0.7459 -0.0382 -0.1098 0.0858 306 QUK B C10 +1852 N N11 . QUK B 6 ? 0.8029 0.6835 0.7588 -0.0340 -0.0921 0.0770 306 QUK B N11 +1853 C C7 . QUK B 6 ? 0.7873 0.6680 0.7893 -0.0332 -0.0898 0.0792 306 QUK B C7 +1854 C CA . QUK B 6 ? 0.7806 0.6626 0.8000 -0.0276 -0.0686 0.0681 306 QUK B CA +1855 N N . QUK B 6 ? 0.7733 0.6562 0.7587 -0.0239 -0.0539 0.0571 306 QUK B N +1856 C C9 . QUK B 6 ? 0.8232 0.6957 0.7720 -0.0423 -0.1293 0.0991 306 QUK B C9 +1857 C C8 . QUK B 6 ? 0.8195 0.6935 0.8208 -0.0422 -0.1291 0.1031 306 QUK B C8 +1858 C C6 . QUK B 6 ? 0.7935 0.6718 0.8205 -0.0374 -0.1079 0.0922 306 QUK B C6 +1859 C C5 . QUK B 6 ? 0.7933 0.6720 0.8726 -0.0364 -0.1048 0.0945 306 QUK B C5 +1860 C C4 . QUK B 6 ? 0.7782 0.6582 0.8780 -0.0305 -0.0816 0.0822 306 QUK B C4 +1861 C C3 . QUK B 6 ? 0.7771 0.6580 0.8425 -0.0260 -0.0634 0.0688 306 QUK B C3 +1862 O OB . QUK B 6 ? 0.8493 0.7190 0.8734 -0.0463 -0.1494 0.1177 306 QUK B OB +1863 C CG . QUK B 6 ? 0.8849 0.7468 0.8709 -0.0507 -0.1714 0.1296 306 QUK B CG +1864 C CD . QUK B 6 ? 0.9027 0.7589 0.9164 -0.0550 -0.1943 0.1471 306 QUK B CD +1865 C CE . QUK B 6 ? 0.9136 0.7750 0.9977 -0.0538 -0.1889 0.1468 306 QUK B CE +1866 N N1 . QUK B 6 ? 0.9151 0.7809 1.0163 -0.0533 -0.1786 0.1492 306 QUK B N1 +1867 O O . ZY9 B 7 ? 0.7661 0.6514 0.6091 -0.0164 -0.0248 0.0236 307 ZY9 B O +1868 C C . ZY9 B 7 ? 0.8145 0.7017 0.6691 -0.0206 -0.0362 0.0344 307 ZY9 B C +1869 C C10 . ZY9 B 7 ? 0.8200 0.7089 0.6519 -0.0234 -0.0443 0.0400 307 ZY9 B C10 +1870 N N11 . ZY9 B 7 ? 0.8304 0.7179 0.6704 -0.0275 -0.0588 0.0509 307 ZY9 B N11 +1871 C C9 . ZY9 B 7 ? 0.8416 0.7317 0.6419 -0.0218 -0.0388 0.0344 307 ZY9 B C9 +1872 C C8 . ZY9 B 7 ? 0.8184 0.7084 0.5976 -0.0240 -0.0462 0.0384 307 ZY9 B C8 +1873 C C6 . ZY9 B 7 ? 0.8292 0.7162 0.6140 -0.0278 -0.0607 0.0479 307 ZY9 B C6 +1874 C C7 . ZY9 B 7 ? 0.8244 0.7101 0.6398 -0.0297 -0.0678 0.0548 307 ZY9 B C7 +1875 C C2 . ZY9 B 7 ? 0.8120 0.6931 0.6306 -0.0335 -0.0848 0.0651 307 ZY9 B C2 +1876 N N . ZY9 B 7 ? 0.8015 0.6823 0.6643 -0.0343 -0.0895 0.0703 307 ZY9 B N +1877 O O . QVE B 8 ? 0.8157 0.6963 0.7905 -0.0415 -0.1097 0.1013 308 QVE B O +1878 C C . QVE B 8 ? 0.8221 0.7051 0.7749 -0.0381 -0.0953 0.0885 308 QVE B C +1879 C CA . QVE B 8 ? 0.8147 0.6991 0.7850 -0.0333 -0.0784 0.0747 308 QVE B CA +1880 N N11 . QVE B 8 ? 0.7908 0.6761 0.7341 -0.0295 -0.0652 0.0621 308 QVE B N11 +1881 C C7 . QVE B 8 ? 0.8005 0.6843 0.7521 -0.0243 -0.0494 0.0490 308 QVE B C7 +1882 C C2 . QVE B 8 ? 0.8088 0.6924 0.7285 -0.0206 -0.0376 0.0379 308 QVE B C2 +1883 N N . QVE B 8 ? 0.8432 0.7295 0.7315 -0.0228 -0.0434 0.0417 308 QVE B N +1884 C C9 . QVE B 8 ? 0.8140 0.6973 0.8266 -0.0321 -0.0751 0.0738 308 QVE B C9 +1885 C C8 . QVE B 8 ? 0.8160 0.6975 0.8381 -0.0264 -0.0576 0.0587 308 QVE B C8 +1886 O OB . QVE B 8 ? 0.8807 0.7593 0.9416 -0.0243 -0.0524 0.0553 308 QVE B OB +1887 C CG . QVE B 8 ? 0.9643 0.8417 1.0631 -0.0230 -0.0507 0.0585 308 QVE B CG +1888 C CD . QVE B 8 ? 1.0168 0.8938 1.1593 -0.0263 -0.0624 0.0692 308 QVE B CD +1889 O OE2 . QVE B 8 ? 1.0252 0.9021 1.1618 -0.0274 -0.0642 0.0680 308 QVE B OE2 +1890 O OE1 . QVE B 8 ? 1.0798 0.9568 1.2643 -0.0279 -0.0705 0.0794 308 QVE B OE1 +1891 C C6 . QVE B 8 ? 0.8046 0.6856 0.7941 -0.0223 -0.0446 0.0462 308 QVE B C6 +1892 C C5 . QVE B 8 ? 0.7933 0.6694 0.7832 -0.0160 -0.0274 0.0310 308 QVE B C5 +1893 C C4 . QVE B 8 ? 0.7853 0.6597 0.7381 -0.0120 -0.0162 0.0202 308 QVE B C4 +1894 C C3 . QVE B 8 ? 0.7956 0.6746 0.7164 -0.0146 -0.0219 0.0244 308 QVE B C3 +1895 O O . ZY9 B 9 ? 0.8418 0.7344 0.6133 -0.0299 -0.0545 0.0541 309 ZY9 B O +1896 C C . ZY9 B 9 ? 0.8687 0.7600 0.6662 -0.0315 -0.0607 0.0598 309 ZY9 B C +1897 C C10 . ZY9 B 9 ? 0.8664 0.7537 0.6653 -0.0349 -0.0740 0.0719 309 ZY9 B C10 +1898 N N11 . ZY9 B 9 ? 0.8481 0.7336 0.6807 -0.0365 -0.0824 0.0778 309 ZY9 B N11 +1899 C C9 . ZY9 B 9 ? 0.8658 0.7493 0.6298 -0.0365 -0.0795 0.0782 309 ZY9 B C9 +1900 C C8 . ZY9 B 9 ? 0.8506 0.7271 0.6086 -0.0394 -0.0946 0.0898 309 ZY9 B C8 +1901 C C6 . ZY9 B 9 ? 0.8415 0.7168 0.6353 -0.0414 -0.1050 0.0964 309 ZY9 B C6 +1902 C C7 . ZY9 B 9 ? 0.8288 0.7093 0.6629 -0.0399 -0.0981 0.0905 309 ZY9 B C7 +1903 C C2 . ZY9 B 9 ? 0.8236 0.7025 0.6973 -0.0417 -0.1078 0.0976 309 ZY9 B C2 +1904 N N . ZY9 B 9 ? 0.8184 0.7016 0.7251 -0.0382 -0.0941 0.0865 309 ZY9 B N +1905 O O . ZY9 B 10 ? 0.8774 0.7623 0.8564 -0.0298 -0.0611 0.0578 310 ZY9 B O +1906 C C . ZY9 B 10 ? 0.8760 0.7635 0.8200 -0.0309 -0.0621 0.0600 310 ZY9 B C +1907 C C10 . ZY9 B 10 ? 0.8781 0.7651 0.7953 -0.0272 -0.0519 0.0468 310 ZY9 B C10 +1908 N N11 . ZY9 B 10 ? 0.8902 0.7799 0.7732 -0.0283 -0.0530 0.0497 310 ZY9 B N11 +1909 C C9 . ZY9 B 10 ? 0.8835 0.7656 0.8058 -0.0220 -0.0410 0.0310 310 ZY9 B C9 +1910 C C8 . ZY9 B 10 ? 0.8954 0.7760 0.7845 -0.0183 -0.0327 0.0195 310 ZY9 B C8 +1911 C C6 . ZY9 B 10 ? 0.9191 0.8046 0.7768 -0.0203 -0.0349 0.0242 310 ZY9 B C6 +1912 C C7 . ZY9 B 10 ? 0.8980 0.7878 0.7530 -0.0251 -0.0445 0.0387 310 ZY9 B C7 +1913 C C2 . ZY9 B 10 ? 0.8886 0.7810 0.7131 -0.0263 -0.0456 0.0419 310 ZY9 B C2 +1914 N N . ZY9 B 10 ? 0.8959 0.7878 0.7211 -0.0301 -0.0563 0.0550 310 ZY9 B N +1915 O OB . QVS B 11 ? 0.8801 0.7537 0.7686 -0.0517 -0.1312 0.1515 311 QVS B OB +1916 C C8 . QVS B 11 ? 0.8605 0.7399 0.7443 -0.0482 -0.1153 0.1333 311 QVS B C8 +1917 C C9 . QVS B 11 ? 0.8523 0.7322 0.6935 -0.0465 -0.1062 0.1275 311 QVS B C9 +1918 C CA . QVS B 11 ? 0.8413 0.7264 0.6813 -0.0433 -0.0927 0.1108 311 QVS B CA +1919 C C . QVS B 11 ? 0.8475 0.7342 0.6518 -0.0412 -0.0827 0.1034 311 QVS B C +1920 O O . QVS B 11 ? 0.8436 0.7260 0.6118 -0.0416 -0.0845 0.1087 311 QVS B O +1921 N N11 . QVS B 11 ? 0.8528 0.7406 0.7273 -0.0415 -0.0885 0.1005 311 QVS B N11 +1922 C C7 . QVS B 11 ? 0.8461 0.7331 0.7617 -0.0424 -0.0942 0.1043 311 QVS B C7 +1923 C C6 . QVS B 11 ? 0.8386 0.7221 0.7625 -0.0462 -0.1085 0.1215 311 QVS B C6 +1924 C C5 . QVS B 11 ? 0.8443 0.7271 0.8149 -0.0473 -0.1155 0.1267 311 QVS B C5 +1925 C C4 . QVS B 11 ? 0.8472 0.7319 0.8541 -0.0441 -0.1058 0.1131 311 QVS B C4 +1926 C C3 . QVS B 11 ? 0.8486 0.7350 0.8411 -0.0397 -0.0903 0.0947 311 QVS B C3 +1927 C C2 . QVS B 11 ? 0.8546 0.7427 0.8020 -0.0392 -0.0855 0.0909 311 QVS B C2 +1928 N N . QVS B 11 ? 0.8738 0.7630 0.8027 -0.0351 -0.0725 0.0747 311 QVS B N +1929 O O . ZY9 B 12 ? 0.8171 0.7080 0.6963 -0.0272 -0.0487 0.0360 312 ZY9 B O +1930 C C . ZY9 B 12 ? 0.8425 0.7372 0.7187 -0.0307 -0.0525 0.0507 312 ZY9 B C +1931 C C10 . ZY9 B 12 ? 0.8441 0.7416 0.6868 -0.0313 -0.0505 0.0551 312 ZY9 B C10 +1932 N N11 . ZY9 B 12 ? 0.8346 0.7322 0.6662 -0.0339 -0.0554 0.0676 312 ZY9 B N11 +1933 C C9 . ZY9 B 12 ? 0.8556 0.7541 0.6747 -0.0289 -0.0447 0.0459 312 ZY9 B C9 +1934 C C8 . ZY9 B 12 ? 0.8249 0.7255 0.6150 -0.0292 -0.0423 0.0497 312 ZY9 B C8 +1935 C C6 . ZY9 B 12 ? 0.8130 0.7127 0.5921 -0.0316 -0.0465 0.0612 312 ZY9 B C6 +1936 C C7 . ZY9 B 12 ? 0.8213 0.7189 0.6204 -0.0340 -0.0542 0.0703 312 ZY9 B C7 +1937 C C2 . ZY9 B 12 ? 0.8297 0.7239 0.6139 -0.0363 -0.0614 0.0820 312 ZY9 B C2 +1938 N N . ZY9 B 12 ? 0.8240 0.7157 0.6361 -0.0385 -0.0714 0.0899 312 ZY9 B N +1939 O OD1 . QDD B 13 ? 0.9224 0.8058 1.0195 -0.0374 -0.0837 0.0861 313 QDD B OD1 +1940 C CG . QDD B 13 ? 0.8702 0.7565 0.9557 -0.0420 -0.0936 0.1036 313 QDD B CG +1941 O OD2 . QDD B 13 ? 0.8832 0.7691 0.9760 -0.0455 -0.1059 0.1204 313 QDD B OD2 +1942 C CB . QDD B 13 ? 0.8377 0.7267 0.9065 -0.0430 -0.0908 0.1053 313 QDD B CB +1943 C C8 . QDD B 13 ? 0.8399 0.7308 0.8613 -0.0420 -0.0851 0.1001 313 QDD B C8 +1944 C C9 . QDD B 13 ? 0.8592 0.7515 0.8494 -0.0450 -0.0901 0.1160 313 QDD B C9 +1945 C C10 . QDD B 13 ? 0.8673 0.7609 0.8133 -0.0438 -0.0840 0.1112 313 QDD B C10 +1946 C C . QDD B 13 ? 0.9001 0.7927 0.8096 -0.0457 -0.0869 0.1245 313 QDD B C +1947 O O . QDD B 13 ? 0.9237 0.8127 0.8331 -0.0486 -0.0971 0.1416 313 QDD B O +1948 N N11 . QDD B 13 ? 0.8271 0.7216 0.7627 -0.0402 -0.0747 0.0930 313 QDD B N11 +1949 C C7 . QDD B 13 ? 0.8135 0.7061 0.7722 -0.0372 -0.0704 0.0782 313 QDD B C7 +1950 C C6 . QDD B 13 ? 0.8130 0.7031 0.8145 -0.0377 -0.0745 0.0801 313 QDD B C6 +1951 C C5 . QDD B 13 ? 0.7814 0.6669 0.8013 -0.0334 -0.0680 0.0622 313 QDD B C5 +1952 C C4 . QDD B 13 ? 0.8019 0.6847 0.7948 -0.0292 -0.0593 0.0450 313 QDD B C4 +1953 C C3 . QDD B 13 ? 0.8217 0.7080 0.7748 -0.0293 -0.0568 0.0449 313 QDD B C3 +1954 C C2 . QDD B 13 ? 0.8215 0.7131 0.7589 -0.0334 -0.0618 0.0613 313 QDD B C2 +1955 N N . QDD B 13 ? 0.8484 0.7429 0.7490 -0.0335 -0.0591 0.0628 313 QDD B N +1956 O O . ZY9 B 14 ? 0.8823 0.7887 0.7006 -0.0337 -0.0422 0.0700 314 ZY9 B O +1957 C C . ZY9 B 14 ? 0.9117 0.8171 0.7468 -0.0361 -0.0470 0.0811 314 ZY9 B C +1958 C C10 . ZY9 B 14 ? 0.9210 0.8243 0.7379 -0.0381 -0.0491 0.0958 314 ZY9 B C10 +1959 N N11 . ZY9 B 14 ? 0.9039 0.8041 0.7358 -0.0400 -0.0582 0.1032 314 ZY9 B N11 +1960 C C9 . ZY9 B 14 ? 0.9233 0.8261 0.7073 -0.0377 -0.0428 0.1024 314 ZY9 B C9 +1961 C C8 . ZY9 B 14 ? 0.9114 0.8085 0.6724 -0.0390 -0.0465 0.1155 314 ZY9 B C8 +1962 C C6 . ZY9 B 14 ? 0.9158 0.8092 0.6911 -0.0413 -0.0584 0.1229 314 ZY9 B C6 +1963 C C7 . ZY9 B 14 ? 0.9064 0.8022 0.7205 -0.0420 -0.0640 0.1174 314 ZY9 B C7 +1964 C C2 . ZY9 B 14 ? 0.9190 0.8111 0.7511 -0.0443 -0.0759 0.1267 314 ZY9 B C2 +1965 N N . ZY9 B 14 ? 0.9007 0.7948 0.7760 -0.0439 -0.0782 0.1174 314 ZY9 B N +1966 O O . QVE B 15 ? 0.8069 0.7036 0.8327 -0.0437 -0.0790 0.1046 315 QVE B O +1967 C C . QVE B 15 ? 0.8424 0.7415 0.8330 -0.0432 -0.0738 0.1039 315 QVE B C +1968 C CA . QVE B 15 ? 0.8317 0.7302 0.8067 -0.0398 -0.0679 0.0854 315 QVE B CA +1969 N N11 . QVE B 15 ? 0.8200 0.7209 0.7574 -0.0389 -0.0623 0.0834 315 QVE B N11 +1970 C C7 . QVE B 15 ? 0.8319 0.7322 0.7560 -0.0359 -0.0581 0.0675 315 QVE B C7 +1971 C C2 . QVE B 15 ? 0.8496 0.7525 0.7388 -0.0350 -0.0526 0.0664 315 QVE B C2 +1972 N N . QVE B 15 ? 0.8873 0.7920 0.7578 -0.0369 -0.0516 0.0805 315 QVE B N +1973 C C9 . QVE B 15 ? 0.8460 0.7402 0.8436 -0.0373 -0.0683 0.0687 315 QVE B C9 +1974 C C8 . QVE B 15 ? 0.8469 0.7383 0.8254 -0.0339 -0.0648 0.0513 315 QVE B C8 +1975 O OB . QVE B 15 ? 0.8806 0.7647 0.8731 -0.0309 -0.0669 0.0341 315 QVE B OB +1976 C CG . QVE B 15 ? 0.9173 0.7938 0.9276 -0.0281 -0.0661 0.0241 315 QVE B CG +1977 C CD . QVE B 15 ? 0.9672 0.8323 0.9898 -0.0245 -0.0700 0.0034 315 QVE B CD +1978 O OE2 . QVE B 15 ? 0.9952 0.8514 1.0332 -0.0211 -0.0676 -0.0076 315 QVE B OE2 +1979 O OE1 . QVE B 15 ? 0.9610 0.8259 0.9826 -0.0254 -0.0762 0.0004 315 QVE B OE1 +1980 C C6 . QVE B 15 ? 0.8425 0.7377 0.7854 -0.0334 -0.0602 0.0514 315 QVE B C6 +1981 C C5 . QVE B 15 ? 0.8410 0.7329 0.7657 -0.0301 -0.0585 0.0351 315 QVE B C5 +1982 C C4 . QVE B 15 ? 0.8561 0.7519 0.7483 -0.0296 -0.0538 0.0360 315 QVE B C4 +1983 C C3 . QVE B 15 ? 0.8595 0.7611 0.7353 -0.0320 -0.0500 0.0511 315 QVE B C3 +1984 O O . QUK B 16 ? 1.0285 0.9384 0.9027 -0.0430 -0.0419 0.1346 316 QUK B O +1985 C C . QUK B 16 ? 0.9989 0.9042 0.8499 -0.0439 -0.0449 0.1455 316 QUK B C +1986 C C10 . QUK B 16 ? 0.9708 0.8725 0.8379 -0.0463 -0.0560 0.1551 316 QUK B C10 +1987 N N11 . QUK B 16 ? 0.9343 0.8367 0.8361 -0.0467 -0.0640 0.1450 316 QUK B N11 +1988 C C7 . QUK B 16 ? 0.9253 0.8251 0.8529 -0.0489 -0.0741 0.1540 316 QUK B C7 +1989 C CA . QUK B 16 ? 0.8996 0.7996 0.8650 -0.0484 -0.0790 0.1415 316 QUK B CA +1990 N N . QUK B 16 ? 0.8869 0.7881 0.8513 -0.0454 -0.0731 0.1207 316 QUK B N +1991 C C9 . QUK B 16 ? 0.9904 0.8868 0.8401 -0.0480 -0.0587 0.1759 316 QUK B C9 +1992 C C8 . QUK B 16 ? 1.0021 0.8952 0.8748 -0.0507 -0.0716 0.1867 316 QUK B C8 +1993 C C6 . QUK B 16 ? 0.9560 0.8518 0.8720 -0.0513 -0.0793 0.1760 316 QUK B C6 +1994 C C5 . QUK B 16 ? 0.9510 0.8442 0.8993 -0.0539 -0.0915 0.1870 316 QUK B C5 +1995 C C4 . QUK B 16 ? 0.9179 0.8128 0.9097 -0.0537 -0.0962 0.1745 316 QUK B C4 +1996 C C3 . QUK B 16 ? 0.8927 0.7902 0.8910 -0.0506 -0.0890 0.1510 316 QUK B C3 +1997 O OB . QUK B 16 ? 1.0903 0.9764 0.9457 -0.0524 -0.0772 0.2087 316 QUK B OB +1998 C CG . QUK B 16 ? 1.1457 1.0270 0.9558 -0.0508 -0.0647 0.2236 316 QUK B CG +1999 C CD . QUK B 16 ? 1.1887 1.0592 0.9787 -0.0525 -0.0736 0.2486 316 QUK B CD +2000 C CE . QUK B 16 ? 1.2031 1.0717 1.0259 -0.0559 -0.0950 0.2512 316 QUK B CE +2001 O OXT . QUK B 16 ? 1.0039 0.9063 0.8141 -0.0424 -0.0388 0.1469 316 QUK B OXT +2002 N N1 . QUK B 16 ? 1.1999 1.0678 1.0175 -0.0554 -0.1051 0.2303 316 QUK B N1 +2003 ZN ZN . ZN C . ? 1.2920 1.1544 0.8632 0.0186 0.0254 -0.0022 301 ZN A ZN +# \ No newline at end of file diff --git a/tests/structure/test_pdbx.py b/tests/structure/test_pdbx.py index a105a259b..2d1677b10 100644 --- a/tests/structure/test_pdbx.py +++ b/tests/structure/test_pdbx.py @@ -214,6 +214,34 @@ def test_metal_coordination_bonds(): assert np.all(conn_type_id == "metalc") +def test_connect_via_residue_names_with_alt_atom_ids(): + """ + Ensure that the residue names are correctly parsed, even when alternative + atom IDs are present. + """ + pdbx_file_with_no_alt_ids = pdbx.CIFFile.read( + join(data_dir("structure"), "6q9t.cif") + ) + atoms = pdbx.get_structure(pdbx_file_with_no_alt_ids, model=1, include_bonds=True) + + pdbx_file_with_alt_ids = pdbx.CIFFile.read( + join(data_dir("structure"), "6q9t_with_alt_ids.cif") + ) + atoms_with_alt_ids = pdbx.get_structure( + pdbx_file_with_alt_ids, model=1, include_bonds=True + ) + + # Assert bonds are the same + assert ( + atoms_with_alt_ids[atoms_with_alt_ids.res_name == "ZY9"].bonds.as_array() + == atoms[atoms.res_name == "ZY9"].bonds.as_array() + ).all() + + # zy9 = atoms.res_name == "ZY9" + + print("Here.") + + def test_bond_sparsity(): """ Ensure that only as much intra-residue bonds are written as necessary, @@ -895,3 +923,7 @@ def test_writing_and_reading_extra_fields(tmpdir): assert np.all( atoms.get_annotation("my_custom_annotation").astype(int) == custom_annotation ) + + +if __name__ == "__main__": + test_connect_via_residue_names_with_alt_atom_ids()