# 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_spkb17331 # _entry.id spkb17331 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "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 LYS 2 1 n LEU 3 1 n LEU 4 1 n LEU 5 1 n LEU 6 1 n LEU 7 1 n CYS 8 1 n ILE 9 1 n SER 10 1 n CYS 11 1 n ILE 12 1 n PRO 13 1 n LEU 14 1 n ALA 15 1 n TYR 16 1 n SER 17 # _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 @ 2025-07-08 15:54:02)" _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 87.09 _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 83.69 1 1 A LYS 2 2 80.31 1 2 A LEU 3 2 86.73 1 3 A LEU 4 2 86.44 1 4 A LEU 5 2 88.95 1 5 A LEU 6 2 88.81 1 6 A LEU 7 2 89.03 1 7 A CYS 8 2 90.11 1 8 A ILE 9 2 89.31 1 9 A SER 10 2 91.63 1 10 A CYS 11 2 91.26 1 11 A ILE 12 2 89.38 1 12 A PRO 13 2 92.01 1 13 A LEU 14 2 87.75 1 14 A ALA 15 2 90.37 1 15 A TYR 16 2 84.64 1 16 A SER 17 2 75.49 1 17 # _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 LYS . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n TYR . 16 A 16 A 17 1 n SER . 17 A 17 # _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 ? -11.630 4.441 7.426 1.00 88.22 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.654 5.224 6.647 1.00 91.10 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.199 4.472 5.397 1.00 91.25 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.546 3.437 5.490 1.00 89.46 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.429 5.540 7.491 1.00 86.46 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.738 6.472 8.651 1.00 80.48 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.244 8.080 8.090 1.00 76.27 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.440 8.923 9.642 1.00 66.29 1 A 1 ATOM 9 N N . LYS A 1 2 ? -10.571 5.000 4.219 1.00 86.39 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -10.194 4.378 2.953 1.00 88.69 2 A 1 ATOM 11 C C . LYS A 1 2 ? -8.840 4.891 2.482 1.00 89.62 2 A 1 ATOM 12 O O . LYS A 1 2 ? -7.953 4.115 2.134 1.00 89.00 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -11.253 4.675 1.892 1.00 86.94 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -12.656 4.241 2.282 1.00 77.90 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -12.748 2.744 2.461 1.00 74.36 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -14.158 2.302 2.794 1.00 69.18 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -14.266 0.839 2.931 1.00 60.73 2 A 1 ATOM 18 N N . LEU A 1 3 ? -8.696 6.208 2.454 1.00 90.27 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -7.449 6.826 2.021 1.00 91.01 3 A 1 ATOM 20 C C . LEU A 1 3 ? -6.300 6.451 2.945 1.00 92.61 3 A 1 ATOM 21 O O . LEU A 1 3 ? -5.147 6.362 2.517 1.00 90.42 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -7.599 8.350 1.978 1.00 89.98 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -8.170 8.912 0.679 1.00 82.69 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -7.187 8.657 -0.452 1.00 77.50 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -9.501 8.256 0.369 1.00 79.39 3 A 1 ATOM 26 N N . LEU A 1 4 ? -6.612 6.242 4.215 1.00 90.83 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -5.599 5.872 5.202 1.00 90.17 4 A 1 ATOM 28 C C . LEU A 1 4 ? -4.910 4.579 4.789 1.00 91.29 4 A 1 ATOM 29 O O . LEU A 1 4 ? -3.699 4.428 4.938 1.00 89.98 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -6.234 5.703 6.588 1.00 90.12 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -5.440 6.333 7.732 1.00 82.36 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -4.015 5.823 7.746 1.00 77.85 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -5.461 7.848 7.576 1.00 78.96 4 A 1 ATOM 34 N N . LEU A 1 5 ? -5.694 3.644 4.248 1.00 93.61 5 A 1 ATOM 35 C CA . LEU A 1 5 ? -5.157 2.362 3.812 1.00 92.91 5 A 1 ATOM 36 C C . LEU A 1 5 ? -4.187 2.555 2.656 1.00 93.73 5 A 1 ATOM 37 O O . LEU A 1 5 ? -3.159 1.881 2.577 1.00 92.58 5 A 1 ATOM 38 C CB . LEU A 1 5 ? -6.297 1.437 3.384 1.00 92.57 5 A 1 ATOM 39 C CG . LEU A 1 5 ? -7.265 1.068 4.504 1.00 83.94 5 A 1 ATOM 40 C CD1 . LEU A 1 5 ? -8.425 0.262 3.940 1.00 80.28 5 A 1 ATOM 41 C CD2 . LEU A 1 5 ? -6.549 0.273 5.582 1.00 81.97 5 A 1 ATOM 42 N N . LEU A 1 6 ? -4.521 3.466 1.762 1.00 93.93 6 A 1 ATOM 43 C CA . LEU A 1 6 ? -3.671 3.754 0.615 1.00 92.58 6 A 1 ATOM 44 C C . LEU A 1 6 ? -2.350 4.360 1.064 1.00 93.18 6 A 1 ATOM 45 O O . LEU A 1 6 ? -1.291 4.067 0.507 1.00 91.95 6 A 1 ATOM 46 C CB . LEU A 1 6 ? -4.376 4.717 -0.349 1.00 92.37 6 A 1 ATOM 47 C CG . LEU A 1 6 ? -5.364 4.059 -1.302 1.00 83.74 6 A 1 ATOM 48 C CD1 . LEU A 1 6 ? -4.603 3.130 -2.244 1.00 80.47 6 A 1 ATOM 49 C CD2 . LEU A 1 6 ? -6.406 3.266 -0.536 1.00 82.26 6 A 1 ATOM 50 N N . LEU A 1 7 ? -2.415 5.206 2.074 1.00 92.90 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -1.216 5.846 2.597 1.00 91.89 7 A 1 ATOM 52 C C . LEU A 1 7 ? -0.298 4.820 3.249 1.00 92.47 7 A 1 ATOM 53 O O . LEU A 1 7 ? 0.927 4.916 3.146 1.00 91.15 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -1.598 6.920 3.620 1.00 91.81 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -2.399 8.088 3.045 1.00 86.10 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -2.820 9.025 4.170 1.00 82.28 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -1.578 8.840 2.012 1.00 83.65 7 A 1 ATOM 58 N N . CYS A 1 8 ? -0.896 3.833 3.909 1.00 92.25 8 A 1 ATOM 59 C CA . CYS A 1 8 ? -0.122 2.799 4.580 1.00 92.32 8 A 1 ATOM 60 C C . CYS A 1 8 ? 0.572 1.887 3.575 1.00 92.82 8 A 1 ATOM 61 O O . CYS A 1 8 ? 1.771 1.635 3.676 1.00 90.31 8 A 1 ATOM 62 C CB . CYS A 1 8 ? -1.032 1.975 5.494 1.00 89.96 8 A 1 ATOM 63 S SG . CYS A 1 8 ? -1.653 2.906 6.904 1.00 83.02 8 A 1 ATOM 64 N N . ILE A 1 9 ? -0.186 1.398 2.605 1.00 91.93 9 A 1 ATOM 65 C CA . ILE A 1 9 ? 0.362 0.502 1.596 1.00 91.45 9 A 1 ATOM 66 C C . ILE A 1 9 ? 1.371 1.213 0.704 1.00 92.00 9 A 1 ATOM 67 O O . ILE A 1 9 ? 2.255 0.580 0.132 1.00 90.29 9 A 1 ATOM 68 C CB . ILE A 1 9 ? -0.755 -0.088 0.713 1.00 91.31 9 A 1 ATOM 69 C CG1 . ILE A 1 9 ? -1.483 1.018 -0.037 1.00 87.81 9 A 1 ATOM 70 C CG2 . ILE A 1 9 ? -1.721 -0.884 1.574 1.00 86.63 9 A 1 ATOM 71 C CD1 . ILE A 1 9 ? -2.538 0.503 -0.998 1.00 83.09 9 A 1 ATOM 72 N N . SER A 1 10 ? 1.229 2.513 0.581 1.00 93.56 10 A 1 ATOM 73 C CA . SER A 1 10 ? 2.136 3.291 -0.255 1.00 93.51 10 A 1 ATOM 74 C C . SER A 1 10 ? 3.517 3.396 0.385 1.00 93.88 10 A 1 ATOM 75 O O . SER A 1 10 ? 4.509 3.637 -0.299 1.00 92.22 10 A 1 ATOM 76 C CB . SER A 1 10 ? 1.576 4.698 -0.490 1.00 92.02 10 A 1 ATOM 77 O OG . SER A 1 10 ? 1.523 5.428 0.706 1.00 84.58 10 A 1 ATOM 78 N N . CYS A 1 11 ? 3.574 3.208 1.695 1.00 93.07 11 A 1 ATOM 79 C CA . CYS A 1 11 ? 4.834 3.290 2.421 1.00 93.39 11 A 1 ATOM 80 C C . CYS A 1 11 ? 5.561 1.950 2.420 1.00 94.01 11 A 1 ATOM 81 O O . CYS A 1 11 ? 6.784 1.892 2.559 1.00 91.07 11 A 1 ATOM 82 C CB . CYS A 1 11 ? 4.589 3.733 3.866 1.00 91.25 11 A 1 ATOM 83 S SG . CYS A 1 11 ? 6.109 3.984 4.786 1.00 84.78 11 A 1 ATOM 84 N N . ILE A 1 12 ? 4.801 0.873 2.251 1.00 91.68 12 A 1 ATOM 85 C CA . ILE A 1 12 ? 5.374 -0.466 2.233 1.00 91.60 12 A 1 ATOM 86 C C . ILE A 1 12 ? 6.329 -0.662 1.056 1.00 92.02 12 A 1 ATOM 87 O O . ILE A 1 12 ? 7.440 -1.165 1.237 1.00 90.32 12 A 1 ATOM 88 C CB . ILE A 1 12 ? 4.273 -1.539 2.190 1.00 91.04 12 A 1 ATOM 89 C CG1 . ILE A 1 12 ? 3.381 -1.442 3.422 1.00 88.21 12 A 1 ATOM 90 C CG2 . ILE A 1 12 ? 4.913 -2.920 2.110 1.00 87.15 12 A 1 ATOM 91 C CD1 . ILE A 1 12 ? 2.203 -2.395 3.391 1.00 83.00 12 A 1 ATOM 92 N N . PRO A 1 13 ? 5.906 -0.288 -0.144 1.00 93.30 13 A 1 ATOM 93 C CA . PRO A 1 13 ? 6.751 -0.444 -1.337 1.00 93.11 13 A 1 ATOM 94 C C . PRO A 1 13 ? 8.105 0.232 -1.184 1.00 93.62 13 A 1 ATOM 95 O O . PRO A 1 13 ? 9.081 -0.170 -1.813 1.00 91.63 13 A 1 ATOM 96 C CB . PRO A 1 13 ? 5.933 0.227 -2.442 1.00 90.99 13 A 1 ATOM 97 C CG . PRO A 1 13 ? 4.531 0.088 -1.976 1.00 89.33 13 A 1 ATOM 98 C CD . PRO A 1 13 ? 4.604 0.250 -0.478 1.00 92.12 13 A 1 ATOM 99 N N . LEU A 1 14 ? 8.180 1.247 -0.350 1.00 93.71 14 A 1 ATOM 100 C CA . LEU A 1 14 ? 9.427 1.967 -0.126 1.00 92.90 14 A 1 ATOM 101 C C . LEU A 1 14 ? 10.483 1.038 0.451 1.00 93.40 14 A 1 ATOM 102 O O . LEU A 1 14 ? 11.667 1.157 0.129 1.00 91.30 14 A 1 ATOM 103 C CB . LEU A 1 14 ? 9.197 3.140 0.827 1.00 91.47 14 A 1 ATOM 104 C CG . LEU A 1 14 ? 8.192 4.172 0.325 1.00 83.75 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? 8.034 5.271 1.354 1.00 76.60 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? 8.653 4.740 -1.010 1.00 78.85 14 A 1 ATOM 107 N N . ALA A 1 15 ? 10.061 0.114 1.299 1.00 91.36 15 A 1 ATOM 108 C CA . ALA A 1 15 ? 10.973 -0.850 1.906 1.00 90.98 15 A 1 ATOM 109 C C . ALA A 1 15 ? 11.357 -1.933 0.909 1.00 90.92 15 A 1 ATOM 110 O O . ALA A 1 15 ? 12.412 -2.553 1.026 1.00 89.02 15 A 1 ATOM 111 C CB . ALA A 1 15 ? 10.335 -1.480 3.135 1.00 89.55 15 A 1 ATOM 112 N N . TYR A 1 16 ? 10.486 -2.154 -0.073 1.00 91.81 16 A 1 ATOM 113 C CA . TYR A 1 16 ? 10.727 -3.160 -1.100 1.00 90.18 16 A 1 ATOM 114 C C . TYR A 1 16 ? 11.817 -2.708 -2.060 1.00 89.54 16 A 1 ATOM 115 O O . TYR A 1 16 ? 12.393 -3.524 -2.778 1.00 87.06 16 A 1 ATOM 116 C CB . TYR A 1 16 ? 9.440 -3.426 -1.884 1.00 89.98 16 A 1 ATOM 117 C CG . TYR A 1 16 ? 9.622 -4.460 -2.968 1.00 83.11 16 A 1 ATOM 118 C CD1 . TYR A 1 16 ? 9.590 -5.817 -2.667 1.00 80.57 16 A 1 ATOM 119 C CD2 . TYR A 1 16 ? 9.844 -4.077 -4.280 1.00 80.57 16 A 1 ATOM 120 C CE1 . TYR A 1 16 ? 9.768 -6.769 -3.659 1.00 79.82 16 A 1 ATOM 121 C CE2 . TYR A 1 16 ? 10.032 -5.029 -5.284 1.00 81.22 16 A 1 ATOM 122 C CZ . TYR A 1 16 ? 9.989 -6.369 -4.962 1.00 82.12 16 A 1 ATOM 123 O OH . TYR A 1 16 ? 10.172 -7.304 -5.950 1.00 79.74 16 A 1 ATOM 124 N N . SER A 1 17 ? 12.111 -1.434 -2.045 1.00 87.06 17 A 1 ATOM 125 C CA . SER A 1 17 ? 13.109 -0.834 -2.930 1.00 81.61 17 A 1 ATOM 126 C C . SER A 1 17 ? 14.244 -1.812 -3.246 1.00 75.59 17 A 1 ATOM 127 O O . SER A 1 17 ? 14.616 -1.929 -4.426 1.00 69.45 17 A 1 ATOM 128 C CB . SER A 1 17 ? 13.687 0.427 -2.279 1.00 76.04 17 A 1 ATOM 129 O OG . SER A 1 17 ? 14.287 0.136 -1.048 1.00 69.02 17 A 1 ATOM 130 O OXT . SER A 1 17 ? 14.757 -2.459 -2.346 1.00 69.63 17 A 1 #