# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb10495 # _entry.id spkb10495 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n GLY 2 1 n ARG 3 1 n GLY 4 1 n LEU 5 1 n LEU 6 1 n ARG 7 1 n GLY 8 1 n LEU 9 1 n TRP 10 1 n PRO 11 1 n LEU 12 1 n HIS 13 1 n ILE 14 1 n VAL 15 1 n LEU 16 1 n TRP 17 1 n THR 18 1 n ARG 19 1 n ILE 20 1 n ALA 21 1 n SER 22 1 n THR 23 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-03 23:46:24)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 91.20 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 75.17 1 1 A GLY 2 2 87.09 1 2 A ARG 3 2 78.64 1 3 A GLY 4 2 91.91 1 4 A LEU 5 2 88.37 1 5 A LEU 6 2 91.23 1 6 A ARG 7 2 85.61 1 7 A GLY 8 2 95.42 1 8 A LEU 9 2 93.34 1 9 A TRP 10 2 92.73 1 10 A PRO 11 2 95.77 1 11 A LEU 12 2 94.13 1 12 A HIS 13 2 92.29 1 13 A ILE 14 2 96.00 1 14 A VAL 15 2 97.18 1 15 A LEU 16 2 94.95 1 16 A TRP 17 2 92.76 1 17 A THR 18 2 95.72 1 18 A ARG 19 2 89.99 1 19 A ILE 20 2 96.47 1 20 A ALA 21 2 98.03 1 21 A SER 22 2 94.19 1 22 A THR 23 2 90.83 1 23 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n GLY . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n GLY . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n TRP . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n HIS . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n TRP . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n ARG . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n THR . 23 A 23 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _struct_asym.entity_id 1 _struct_asym.id A # 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.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 8.314 14.266 17.778 1.00 81.76 1 A 1 ATOM 2 C CA . MET A 1 1 ? 8.226 12.796 17.675 1.00 82.88 1 A 1 ATOM 3 C C . MET A 1 1 ? 8.294 12.345 16.217 1.00 83.27 1 A 1 ATOM 4 O O . MET A 1 1 ? 7.787 13.034 15.334 1.00 76.29 1 A 1 ATOM 5 C CB . MET A 1 1 ? 6.926 12.293 18.304 1.00 77.09 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.800 12.690 19.772 1.00 72.36 1 A 1 ATOM 7 S SD . MET A 1 1 ? 8.176 12.092 20.742 1.00 68.54 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.798 12.805 22.320 1.00 59.18 1 A 1 ATOM 9 N N . GLY A 1 2 ? 8.911 11.186 15.946 1.00 86.32 2 A 1 ATOM 10 C CA . GLY A 1 2 ? 9.041 10.681 14.588 1.00 87.17 2 A 1 ATOM 11 C C . GLY A 1 2 ? 7.916 9.743 14.193 1.00 88.47 2 A 1 ATOM 12 O O . GLY A 1 2 ? 7.402 8.999 15.023 1.00 86.40 2 A 1 ATOM 13 N N . ARG A 1 3 ? 7.531 9.773 12.920 1.00 88.89 3 A 1 ATOM 14 C CA . ARG A 1 3 ? 6.472 8.913 12.388 1.00 90.47 3 A 1 ATOM 15 C C . ARG A 1 3 ? 7.052 7.900 11.400 1.00 91.67 3 A 1 ATOM 16 O O . ARG A 1 3 ? 6.577 7.777 10.271 1.00 87.41 3 A 1 ATOM 17 C CB . ARG A 1 3 ? 5.396 9.767 11.718 1.00 87.29 3 A 1 ATOM 18 C CG . ARG A 1 3 ? 4.648 10.664 12.676 1.00 80.00 3 A 1 ATOM 19 C CD . ARG A 1 3 ? 3.503 11.358 11.966 1.00 78.18 3 A 1 ATOM 20 N NE . ARG A 1 3 ? 3.995 12.341 10.999 1.00 70.99 3 A 1 ATOM 21 C CZ . ARG A 1 3 ? 4.237 13.608 11.286 1.00 67.79 3 A 1 ATOM 22 N NH1 . ARG A 1 3 ? 4.044 14.073 12.512 1.00 62.10 3 A 1 ATOM 23 N NH2 . ARG A 1 3 ? 4.674 14.422 10.349 1.00 60.26 3 A 1 ATOM 24 N N . GLY A 1 4 ? 8.092 7.198 11.812 1.00 90.96 4 A 1 ATOM 25 C CA . GLY A 1 4 ? 8.770 6.234 10.954 1.00 91.82 4 A 1 ATOM 26 C C . GLY A 1 4 ? 7.865 5.120 10.467 1.00 93.39 4 A 1 ATOM 27 O O . GLY A 1 4 ? 7.914 4.733 9.300 1.00 91.47 4 A 1 ATOM 28 N N . LEU A 1 5 ? 7.012 4.593 11.340 1.00 92.89 5 A 1 ATOM 29 C CA . LEU A 1 5 ? 6.099 3.506 10.986 1.00 92.95 5 A 1 ATOM 30 C C . LEU A 1 5 ? 5.072 3.946 9.945 1.00 94.26 5 A 1 ATOM 31 O O . LEU A 1 5 ? 4.945 3.325 8.892 1.00 93.04 5 A 1 ATOM 32 C CB . LEU A 1 5 ? 5.384 2.988 12.240 1.00 91.58 5 A 1 ATOM 33 C CG . LEU A 1 5 ? 6.298 2.341 13.278 1.00 84.84 5 A 1 ATOM 34 C CD1 . LEU A 1 5 ? 5.511 1.990 14.528 1.00 79.99 5 A 1 ATOM 35 C CD2 . LEU A 1 5 ? 6.959 1.094 12.711 1.00 77.42 5 A 1 ATOM 36 N N . LEU A 1 6 ? 4.338 5.019 10.234 1.00 94.03 6 A 1 ATOM 37 C CA . LEU A 1 6 ? 3.301 5.519 9.333 1.00 94.31 6 A 1 ATOM 38 C C . LEU A 1 6 ? 3.888 5.979 7.999 1.00 94.94 6 A 1 ATOM 39 O O . LEU A 1 6 ? 3.419 5.584 6.933 1.00 94.20 6 A 1 ATOM 40 C CB . LEU A 1 6 ? 2.523 6.667 9.988 1.00 93.85 6 A 1 ATOM 41 C CG . LEU A 1 6 ? 1.396 6.246 10.932 1.00 90.21 6 A 1 ATOM 42 C CD1 . LEU A 1 6 ? 0.341 5.462 10.166 1.00 85.23 6 A 1 ATOM 43 C CD2 . LEU A 1 6 ? 1.926 5.411 12.085 1.00 83.05 6 A 1 ATOM 44 N N . ARG A 1 7 ? 4.923 6.824 8.053 1.00 95.26 7 A 1 ATOM 45 C CA . ARG A 1 7 ? 5.557 7.350 6.840 1.00 95.36 7 A 1 ATOM 46 C C . ARG A 1 7 ? 6.277 6.258 6.059 1.00 95.98 7 A 1 ATOM 47 O O . ARG A 1 7 ? 6.461 6.386 4.849 1.00 94.74 7 A 1 ATOM 48 C CB . ARG A 1 7 ? 6.533 8.469 7.203 1.00 93.97 7 A 1 ATOM 49 C CG . ARG A 1 7 ? 5.872 9.656 7.879 1.00 86.98 7 A 1 ATOM 50 C CD . ARG A 1 7 ? 4.938 10.391 6.930 1.00 84.48 7 A 1 ATOM 51 N NE . ARG A 1 7 ? 5.670 11.022 5.829 1.00 78.63 7 A 1 ATOM 52 C CZ . ARG A 1 7 ? 5.095 11.671 4.828 1.00 75.90 7 A 1 ATOM 53 N NH1 . ARG A 1 7 ? 3.784 11.773 4.755 1.00 70.20 7 A 1 ATOM 54 N NH2 . ARG A 1 7 ? 5.840 12.225 3.884 1.00 70.16 7 A 1 ATOM 55 N N . GLY A 1 8 ? 6.682 5.183 6.742 1.00 95.28 8 A 1 ATOM 56 C CA . GLY A 1 8 ? 7.392 4.084 6.105 1.00 95.14 8 A 1 ATOM 57 C C . GLY A 1 8 ? 6.481 3.139 5.342 1.00 96.16 8 A 1 ATOM 58 O O . GLY A 1 8 ? 6.741 2.814 4.186 1.00 95.09 8 A 1 ATOM 59 N N . LEU A 1 9 ? 5.401 2.675 5.970 1.00 96.18 9 A 1 ATOM 60 C CA . LEU A 1 9 ? 4.478 1.725 5.356 1.00 96.18 9 A 1 ATOM 61 C C . LEU A 1 9 ? 3.459 2.399 4.437 1.00 96.77 9 A 1 ATOM 62 O O . LEU A 1 9 ? 2.808 1.725 3.637 1.00 96.02 9 A 1 ATOM 63 C CB . LEU A 1 9 ? 3.756 0.921 6.445 1.00 95.58 9 A 1 ATOM 64 C CG . LEU A 1 9 ? 2.849 1.744 7.360 1.00 91.95 9 A 1 ATOM 65 C CD1 . LEU A 1 9 ? 1.443 1.883 6.783 1.00 87.91 9 A 1 ATOM 66 C CD2 . LEU A 1 9 ? 2.767 1.084 8.734 1.00 86.14 9 A 1 ATOM 67 N N . TRP A 1 10 ? 3.295 3.717 4.559 1.00 96.02 10 A 1 ATOM 68 C CA . TRP A 1 10 ? 2.318 4.464 3.761 1.00 96.16 10 A 1 ATOM 69 C C . TRP A 1 10 ? 2.508 4.258 2.254 1.00 96.99 10 A 1 ATOM 70 O O . TRP A 1 10 ? 1.567 3.830 1.579 1.00 96.52 10 A 1 ATOM 71 C CB . TRP A 1 10 ? 2.368 5.950 4.132 1.00 95.09 10 A 1 ATOM 72 C CG . TRP A 1 10 ? 1.054 6.655 3.964 1.00 93.23 10 A 1 ATOM 73 C CD1 . TRP A 1 10 ? 0.843 7.844 3.324 1.00 91.07 10 A 1 ATOM 74 C CD2 . TRP A 1 10 ? -0.235 6.229 4.440 1.00 93.32 10 A 1 ATOM 75 N NE1 . TRP A 1 10 ? -0.487 8.179 3.382 1.00 90.11 10 A 1 ATOM 76 C CE2 . TRP A 1 10 ? -1.175 7.201 4.056 1.00 92.13 10 A 1 ATOM 77 C CE3 . TRP A 1 10 ? -0.674 5.118 5.156 1.00 90.47 10 A 1 ATOM 78 C CZ2 . TRP A 1 10 ? -2.534 7.082 4.372 1.00 89.67 10 A 1 ATOM 79 C CZ3 . TRP A 1 10 ? -2.028 5.001 5.468 1.00 88.78 10 A 1 ATOM 80 C CH2 . TRP A 1 10 ? -2.938 5.981 5.075 1.00 88.62 10 A 1 ATOM 81 N N . PRO A 1 11 ? 3.697 4.534 1.676 1.00 96.53 11 A 1 ATOM 82 C CA . PRO A 1 11 ? 3.906 4.354 0.230 1.00 96.55 11 A 1 ATOM 83 C C . PRO A 1 11 ? 3.737 2.903 -0.213 1.00 97.17 11 A 1 ATOM 84 O O . PRO A 1 11 ? 3.194 2.639 -1.285 1.00 96.12 11 A 1 ATOM 85 C CB . PRO A 1 11 ? 5.346 4.835 0.006 1.00 95.00 11 A 1 ATOM 86 C CG . PRO A 1 11 ? 5.999 4.738 1.344 1.00 93.32 11 A 1 ATOM 87 C CD . PRO A 1 11 ? 4.909 5.025 2.337 1.00 95.73 11 A 1 ATOM 88 N N . LEU A 1 12 ? 4.184 1.954 0.598 1.00 96.85 12 A 1 ATOM 89 C CA . LEU A 1 12 ? 4.057 0.535 0.280 1.00 96.83 12 A 1 ATOM 90 C C . LEU A 1 12 ? 2.591 0.107 0.271 1.00 97.32 12 A 1 ATOM 91 O O . LEU A 1 12 ? 2.175 -0.689 -0.574 1.00 96.98 12 A 1 ATOM 92 C CB . LEU A 1 12 ? 4.836 -0.306 1.294 1.00 96.55 12 A 1 ATOM 93 C CG . LEU A 1 12 ? 6.349 -0.101 1.263 1.00 91.65 12 A 1 ATOM 94 C CD1 . LEU A 1 12 ? 7.006 -0.873 2.398 1.00 88.18 12 A 1 ATOM 95 C CD2 . LEU A 1 12 ? 6.923 -0.548 -0.074 1.00 88.69 12 A 1 ATOM 96 N N . HIS A 1 13 ? 1.807 0.639 1.207 1.00 96.53 13 A 1 ATOM 97 C CA . HIS A 1 13 ? 0.386 0.313 1.286 1.00 96.59 13 A 1 ATOM 98 C C . HIS A 1 13 ? -0.362 0.821 0.056 1.00 97.26 13 A 1 ATOM 99 O O . HIS A 1 13 ? -1.275 0.159 -0.440 1.00 97.02 13 A 1 ATOM 100 C CB . HIS A 1 13 ? -0.228 0.910 2.546 1.00 95.77 13 A 1 ATOM 101 C CG . HIS A 1 13 ? -1.611 0.402 2.814 1.00 93.05 13 A 1 ATOM 102 N ND1 . HIS A 1 13 ? -2.751 1.146 2.599 1.00 85.13 13 A 1 ATOM 103 C CD2 . HIS A 1 13 ? -2.033 -0.793 3.276 1.00 86.73 13 A 1 ATOM 104 C CE1 . HIS A 1 13 ? -3.806 0.411 2.927 1.00 86.94 13 A 1 ATOM 105 N NE2 . HIS A 1 13 ? -3.404 -0.768 3.342 1.00 87.91 13 A 1 ATOM 106 N N . ILE A 1 14 ? 0.028 1.987 -0.451 1.00 97.47 14 A 1 ATOM 107 C CA . ILE A 1 14 ? -0.590 2.562 -1.645 1.00 97.34 14 A 1 ATOM 108 C C . ILE A 1 14 ? -0.358 1.660 -2.853 1.00 97.76 14 A 1 ATOM 109 O O . ILE A 1 14 ? -1.267 1.418 -3.651 1.00 97.39 14 A 1 ATOM 110 C CB . ILE A 1 14 ? -0.036 3.966 -1.926 1.00 96.96 14 A 1 ATOM 111 C CG1 . ILE A 1 14 ? -0.370 4.922 -0.767 1.00 95.28 14 A 1 ATOM 112 C CG2 . ILE A 1 14 ? -0.606 4.505 -3.237 1.00 95.03 14 A 1 ATOM 113 C CD1 . ILE A 1 14 ? -1.864 5.072 -0.531 1.00 90.79 14 A 1 ATOM 114 N N . VAL A 1 15 ? 0.855 1.151 -3.005 1.00 97.91 15 A 1 ATOM 115 C CA . VAL A 1 15 ? 1.193 0.254 -4.110 1.00 97.72 15 A 1 ATOM 116 C C . VAL A 1 15 ? 0.386 -1.037 -4.018 1.00 97.85 15 A 1 ATOM 117 O O . VAL A 1 15 ? -0.141 -1.525 -5.024 1.00 97.55 15 A 1 ATOM 118 C CB . VAL A 1 15 ? 2.695 -0.074 -4.119 1.00 97.41 15 A 1 ATOM 119 C CG1 . VAL A 1 15 ? 3.022 -1.091 -5.208 1.00 95.87 15 A 1 ATOM 120 C CG2 . VAL A 1 15 ? 3.513 1.188 -4.324 1.00 95.94 15 A 1 ATOM 121 N N . LEU A 1 16 ? 0.281 -1.589 -2.818 1.00 97.44 16 A 1 ATOM 122 C CA . LEU A 1 16 ? -0.483 -2.814 -2.594 1.00 97.17 16 A 1 ATOM 123 C C . LEU A 1 16 ? -1.952 -2.617 -2.951 1.00 97.53 16 A 1 ATOM 124 O O . LEU A 1 16 ? -2.559 -3.465 -3.608 1.00 97.58 16 A 1 ATOM 125 C CB . LEU A 1 16 ? -0.361 -3.256 -1.134 1.00 97.09 16 A 1 ATOM 126 C CG . LEU A 1 16 ? -1.105 -4.548 -0.795 1.00 91.98 16 A 1 ATOM 127 C CD1 . LEU A 1 16 ? -0.555 -5.720 -1.600 1.00 89.84 16 A 1 ATOM 128 C CD2 . LEU A 1 16 ? -0.997 -4.841 0.694 1.00 90.98 16 A 1 ATOM 129 N N . TRP A 1 17 ? -2.523 -1.507 -2.518 1.00 97.32 17 A 1 ATOM 130 C CA . TRP A 1 17 ? -3.919 -1.188 -2.814 1.00 97.08 17 A 1 ATOM 131 C C . TRP A 1 17 ? -4.133 -1.032 -4.315 1.00 97.61 17 A 1 ATOM 132 O O . TRP A 1 17 ? -5.146 -1.479 -4.860 1.00 97.14 17 A 1 ATOM 133 C CB . TRP A 1 17 ? -4.332 0.096 -2.088 1.00 96.38 17 A 1 ATOM 134 C CG . TRP A 1 17 ? -5.693 0.582 -2.476 1.00 93.45 17 A 1 ATOM 135 C CD1 . TRP A 1 17 ? -5.983 1.763 -3.106 1.00 90.01 17 A 1 ATOM 136 C CD2 . TRP A 1 17 ? -6.952 -0.089 -2.300 1.00 92.84 17 A 1 ATOM 137 N NE1 . TRP A 1 17 ? -7.341 1.862 -3.318 1.00 89.53 17 A 1 ATOM 138 C CE2 . TRP A 1 17 ? -7.964 0.738 -2.836 1.00 92.42 17 A 1 ATOM 139 C CE3 . TRP A 1 17 ? -7.318 -1.310 -1.733 1.00 89.93 17 A 1 ATOM 140 C CZ2 . TRP A 1 17 ? -9.310 0.375 -2.817 1.00 89.72 17 A 1 ATOM 141 C CZ3 . TRP A 1 17 ? -8.658 -1.672 -1.717 1.00 87.41 17 A 1 ATOM 142 C CH2 . TRP A 1 17 ? -9.640 -0.829 -2.257 1.00 87.75 17 A 1 ATOM 143 N N . THR A 1 18 ? -3.179 -0.407 -4.998 1.00 97.80 18 A 1 ATOM 144 C CA . THR A 1 18 ? -3.261 -0.204 -6.444 1.00 97.60 18 A 1 ATOM 145 C C . THR A 1 18 ? -3.260 -1.547 -7.178 1.00 97.88 18 A 1 ATOM 146 O O . THR A 1 18 ? -3.991 -1.729 -8.154 1.00 97.27 18 A 1 ATOM 147 C CB . THR A 1 18 ? -2.088 0.651 -6.943 1.00 96.93 18 A 1 ATOM 148 O OG1 . THR A 1 18 ? -2.074 1.901 -6.252 1.00 92.38 18 A 1 ATOM 149 C CG2 . THR A 1 18 ? -2.215 0.923 -8.436 1.00 90.16 18 A 1 ATOM 150 N N . ARG A 1 19 ? -2.441 -2.496 -6.709 1.00 98.02 19 A 1 ATOM 151 C CA . ARG A 1 19 ? -2.370 -3.827 -7.315 1.00 97.83 19 A 1 ATOM 152 C C . ARG A 1 19 ? -3.703 -4.559 -7.183 1.00 98.17 19 A 1 ATOM 153 O O . ARG A 1 19 ? -4.177 -5.177 -8.136 1.00 97.80 19 A 1 ATOM 154 C CB . ARG A 1 19 ? -1.266 -4.651 -6.656 1.00 97.35 19 A 1 ATOM 155 C CG . ARG A 1 19 ? 0.136 -4.125 -6.939 1.00 91.50 19 A 1 ATOM 156 C CD . ARG A 1 19 ? 0.508 -4.299 -8.402 1.00 88.58 19 A 1 ATOM 157 N NE . ARG A 1 19 ? 1.900 -3.923 -8.662 1.00 85.01 19 A 1 ATOM 158 C CZ . ARG A 1 19 ? 2.457 -3.902 -9.865 1.00 81.68 19 A 1 ATOM 159 N NH1 . ARG A 1 19 ? 1.754 -4.224 -10.932 1.00 76.50 19 A 1 ATOM 160 N NH2 . ARG A 1 19 ? 3.725 -3.555 -10.008 1.00 77.42 19 A 1 ATOM 161 N N . ILE A 1 20 ? -4.310 -4.490 -6.005 1.00 98.22 20 A 1 ATOM 162 C CA . ILE A 1 20 ? -5.594 -5.143 -5.752 1.00 97.93 20 A 1 ATOM 163 C C . ILE A 1 20 ? -6.697 -4.519 -6.605 1.00 98.00 20 A 1 ATOM 164 O O . ILE A 1 20 ? -7.531 -5.227 -7.179 1.00 97.62 20 A 1 ATOM 165 C CB . ILE A 1 20 ? -5.971 -5.055 -4.261 1.00 97.54 20 A 1 ATOM 166 C CG1 . ILE A 1 20 ? -4.935 -5.796 -3.407 1.00 95.32 20 A 1 ATOM 167 C CG2 . ILE A 1 20 ? -7.363 -5.644 -4.032 1.00 94.65 20 A 1 ATOM 168 C CD1 . ILE A 1 20 ? -5.099 -5.559 -1.919 1.00 92.51 20 A 1 ATOM 169 N N . ALA A 1 21 ? -6.701 -3.195 -6.692 1.00 98.38 21 A 1 ATOM 170 C CA . ALA A 1 21 ? -7.710 -2.483 -7.476 1.00 98.22 21 A 1 ATOM 171 C C . ALA A 1 21 ? -7.536 -2.719 -8.977 1.00 98.17 21 A 1 ATOM 172 O O . ALA A 1 21 ? -8.510 -2.704 -9.731 1.00 97.59 21 A 1 ATOM 173 C CB . ALA A 1 21 ? -7.644 -0.989 -7.172 1.00 97.78 21 A 1 ATOM 174 N N . SER A 1 22 ? -6.301 -2.942 -9.416 1.00 97.59 22 A 1 ATOM 175 C CA . SER A 1 22 ? -6.000 -3.183 -10.829 1.00 97.18 22 A 1 ATOM 176 C C . SER A 1 22 ? -6.316 -4.618 -11.245 1.00 96.88 22 A 1 ATOM 177 O O . SER A 1 22 ? -6.514 -4.907 -12.428 1.00 94.07 22 A 1 ATOM 178 C CB . SER A 1 22 ? -4.530 -2.888 -11.116 1.00 95.71 22 A 1 ATOM 179 O OG . SER A 1 22 ? -4.244 -3.026 -12.490 1.00 83.72 22 A 1 ATOM 180 N N . THR A 1 23 ? -6.362 -5.532 -10.280 1.00 96.66 23 A 1 ATOM 181 C CA . THR A 1 23 ? -6.638 -6.945 -10.540 1.00 95.91 23 A 1 ATOM 182 C C . THR A 1 23 ? -8.143 -7.212 -10.600 1.00 94.43 23 A 1 ATOM 183 O O . THR A 1 23 ? -8.929 -6.411 -10.071 1.00 88.73 23 A 1 ATOM 184 C CB . THR A 1 23 ? -5.995 -7.837 -9.470 1.00 93.25 23 A 1 ATOM 185 O OG1 . THR A 1 23 ? -4.597 -7.570 -9.402 1.00 85.10 23 A 1 ATOM 186 C CG2 . THR A 1 23 ? -6.174 -9.310 -9.799 1.00 87.14 23 A 1 ATOM 187 O OXT . THR A 1 23 ? -8.553 -8.243 -11.166 1.00 85.40 23 A 1 #