# 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_spkb21963 # _entry.id spkb21963 # 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 "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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "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 TYR 2 1 n LEU 3 1 n LEU 4 1 n PHE 5 1 n LEU 6 1 n PHE 7 1 n LEU 8 1 n LEU 9 1 n PHE 10 1 n PRO 11 1 n THR 12 1 n VAL 13 1 n PHE 14 1 n SER 15 # _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 11:00:30)" _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 88.26 _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 83.08 1 1 A TYR 2 2 84.62 1 2 A LEU 3 2 89.52 1 3 A LEU 4 2 90.01 1 4 A PHE 5 2 89.58 1 5 A LEU 6 2 90.86 1 6 A PHE 7 2 89.23 1 7 A LEU 8 2 93.01 1 8 A LEU 9 2 92.06 1 9 A PHE 10 2 89.22 1 10 A PRO 11 2 93.25 1 11 A THR 12 2 89.32 1 12 A VAL 13 2 87.14 1 13 A PHE 14 2 82.32 1 14 A SER 15 2 83.60 1 15 # _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 TYR . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n SER . 15 A 15 # _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 ? -2.894 10.906 1.763 1.00 87.70 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.569 10.660 1.167 1.00 89.51 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.815 9.573 1.932 1.00 90.17 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.061 8.801 1.350 1.00 88.49 1 A 1 ATOM 5 C CB . MET A 1 1 ? -0.761 11.964 1.167 1.00 84.78 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.616 12.558 2.574 1.00 79.72 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.211 14.166 2.546 1.00 76.50 1 A 1 ATOM 8 C CE . MET A 1 1 ? -1.108 15.182 1.903 1.00 67.77 1 A 1 ATOM 9 N N . TYR A 1 2 ? -1.054 9.514 3.221 1.00 85.73 2 A 1 ATOM 10 C CA . TYR A 1 2 ? -0.394 8.505 4.059 1.00 88.22 2 A 1 ATOM 11 C C . TYR A 1 2 ? -1.041 7.131 3.881 1.00 90.83 2 A 1 ATOM 12 O O . TYR A 1 2 ? -0.421 6.106 4.141 1.00 89.77 2 A 1 ATOM 13 C CB . TYR A 1 2 ? -0.435 8.938 5.532 1.00 86.30 2 A 1 ATOM 14 C CG . TYR A 1 2 ? -1.751 9.595 5.926 1.00 84.63 2 A 1 ATOM 15 C CD1 . TYR A 1 2 ? -2.870 8.825 6.226 1.00 83.75 2 A 1 ATOM 16 C CD2 . TYR A 1 2 ? -1.849 10.979 5.984 1.00 82.34 2 A 1 ATOM 17 C CE1 . TYR A 1 2 ? -4.071 9.431 6.585 1.00 80.99 2 A 1 ATOM 18 C CE2 . TYR A 1 2 ? -3.053 11.590 6.344 1.00 81.22 2 A 1 ATOM 19 C CZ . TYR A 1 2 ? -4.155 10.807 6.645 1.00 81.55 2 A 1 ATOM 20 O OH . TYR A 1 2 ? -5.340 11.407 7.003 1.00 80.14 2 A 1 ATOM 21 N N . LEU A 1 3 ? -2.276 7.114 3.428 1.00 91.23 3 A 1 ATOM 22 C CA . LEU A 1 3 ? -2.973 5.846 3.209 1.00 92.66 3 A 1 ATOM 23 C C . LEU A 1 3 ? -2.282 5.045 2.109 1.00 93.80 3 A 1 ATOM 24 O O . LEU A 1 3 ? -2.219 3.818 2.171 1.00 92.87 3 A 1 ATOM 25 C CB . LEU A 1 3 ? -4.433 6.131 2.848 1.00 91.98 3 A 1 ATOM 26 C CG . LEU A 1 3 ? -5.292 6.482 4.071 1.00 85.97 3 A 1 ATOM 27 C CD1 . LEU A 1 3 ? -6.658 6.982 3.609 1.00 83.38 3 A 1 ATOM 28 C CD2 . LEU A 1 3 ? -5.467 5.250 4.959 1.00 84.27 3 A 1 ATOM 29 N N . LEU A 1 4 ? -1.764 5.729 1.127 1.00 92.54 4 A 1 ATOM 30 C CA . LEU A 1 4 ? -1.058 5.065 0.030 1.00 92.91 4 A 1 ATOM 31 C C . LEU A 1 4 ? 0.205 4.386 0.550 1.00 93.65 4 A 1 ATOM 32 O O . LEU A 1 4 ? 0.602 3.323 0.086 1.00 93.09 4 A 1 ATOM 33 C CB . LEU A 1 4 ? -0.705 6.105 -1.037 1.00 92.66 4 A 1 ATOM 34 C CG . LEU A 1 4 ? -1.604 6.032 -2.263 1.00 87.39 4 A 1 ATOM 35 C CD1 . LEU A 1 4 ? -1.377 4.715 -2.973 1.00 83.40 4 A 1 ATOM 36 C CD2 . LEU A 1 4 ? -3.065 6.151 -1.848 1.00 84.44 4 A 1 ATOM 37 N N . PHE A 1 5 ? 0.824 5.003 1.508 1.00 92.43 5 A 1 ATOM 38 C CA . PHE A 1 5 ? 2.045 4.452 2.097 1.00 92.74 5 A 1 ATOM 39 C C . PHE A 1 5 ? 1.729 3.157 2.851 1.00 93.83 5 A 1 ATOM 40 O O . PHE A 1 5 ? 2.548 2.243 2.906 1.00 93.22 5 A 1 ATOM 41 C CB . PHE A 1 5 ? 2.648 5.492 3.043 1.00 92.24 5 A 1 ATOM 42 C CG . PHE A 1 5 ? 4.055 5.146 3.444 1.00 90.93 5 A 1 ATOM 43 C CD1 . PHE A 1 5 ? 5.111 5.387 2.576 1.00 86.81 5 A 1 ATOM 44 C CD2 . PHE A 1 5 ? 4.306 4.581 4.684 1.00 87.30 5 A 1 ATOM 45 C CE1 . PHE A 1 5 ? 6.410 5.063 2.941 1.00 85.17 5 A 1 ATOM 46 C CE2 . PHE A 1 5 ? 5.608 4.251 5.054 1.00 85.09 5 A 1 ATOM 47 C CZ . PHE A 1 5 ? 6.656 4.492 4.181 1.00 85.62 5 A 1 ATOM 48 N N . LEU A 1 6 ? 0.543 3.090 3.417 1.00 93.40 6 A 1 ATOM 49 C CA . LEU A 1 6 ? 0.133 1.898 4.165 1.00 93.75 6 A 1 ATOM 50 C C . LEU A 1 6 ? 0.022 0.693 3.236 1.00 94.42 6 A 1 ATOM 51 O O . LEU A 1 6 ? 0.358 -0.428 3.619 1.00 93.87 6 A 1 ATOM 52 C CB . LEU A 1 6 ? -1.202 2.176 4.863 1.00 93.21 6 A 1 ATOM 53 C CG . LEU A 1 6 ? -1.056 2.464 6.356 1.00 87.56 6 A 1 ATOM 54 C CD1 . LEU A 1 6 ? -2.361 3.054 6.899 1.00 85.07 6 A 1 ATOM 55 C CD2 . LEU A 1 6 ? -0.721 1.183 7.109 1.00 85.63 6 A 1 ATOM 56 N N . PHE A 1 7 ? -0.440 0.914 2.017 1.00 92.89 7 A 1 ATOM 57 C CA . PHE A 1 7 ? -0.575 -0.174 1.047 1.00 92.76 7 A 1 ATOM 58 C C . PHE A 1 7 ? 0.787 -0.772 0.715 1.00 93.80 7 A 1 ATOM 59 O O . PHE A 1 7 ? 0.908 -1.971 0.475 1.00 92.95 7 A 1 ATOM 60 C CB . PHE A 1 7 ? -1.231 0.363 -0.219 1.00 92.28 7 A 1 ATOM 61 C CG . PHE A 1 7 ? -2.718 0.547 -0.026 1.00 89.40 7 A 1 ATOM 62 C CD1 . PHE A 1 7 ? -3.506 -0.525 0.354 1.00 85.89 7 A 1 ATOM 63 C CD2 . PHE A 1 7 ? -3.308 1.784 -0.231 1.00 86.51 7 A 1 ATOM 64 C CE1 . PHE A 1 7 ? -4.874 -0.368 0.534 1.00 85.27 7 A 1 ATOM 65 C CE2 . PHE A 1 7 ? -4.679 1.943 -0.054 1.00 84.74 7 A 1 ATOM 66 C CZ . PHE A 1 7 ? -5.459 0.867 0.329 1.00 85.03 7 A 1 ATOM 67 N N . LEU A 1 8 ? 1.794 0.063 0.721 1.00 94.47 8 A 1 ATOM 68 C CA . LEU A 1 8 ? 3.144 -0.409 0.422 1.00 94.87 8 A 1 ATOM 69 C C . LEU A 1 8 ? 3.716 -1.191 1.599 1.00 95.37 8 A 1 ATOM 70 O O . LEU A 1 8 ? 4.638 -1.990 1.428 1.00 94.32 8 A 1 ATOM 71 C CB . LEU A 1 8 ? 4.046 0.786 0.121 1.00 94.71 8 A 1 ATOM 72 C CG . LEU A 1 8 ? 3.645 1.533 -1.143 1.00 91.52 8 A 1 ATOM 73 C CD1 . LEU A 1 8 ? 4.408 2.838 -1.245 1.00 89.03 8 A 1 ATOM 74 C CD2 . LEU A 1 8 ? 3.928 0.668 -2.371 1.00 89.79 8 A 1 ATOM 75 N N . LEU A 1 9 ? 3.176 -0.952 2.766 1.00 95.03 9 A 1 ATOM 76 C CA . LEU A 1 9 ? 3.644 -1.648 3.966 1.00 94.52 9 A 1 ATOM 77 C C . LEU A 1 9 ? 3.074 -3.061 4.028 1.00 94.43 9 A 1 ATOM 78 O O . LEU A 1 9 ? 3.690 -3.959 4.610 1.00 92.97 9 A 1 ATOM 79 C CB . LEU A 1 9 ? 3.231 -0.847 5.207 1.00 93.90 9 A 1 ATOM 80 C CG . LEU A 1 9 ? 4.054 0.424 5.435 1.00 90.56 9 A 1 ATOM 81 C CD1 . LEU A 1 9 ? 3.390 1.293 6.506 1.00 87.34 9 A 1 ATOM 82 C CD2 . LEU A 1 9 ? 5.466 0.066 5.880 1.00 87.70 9 A 1 ATOM 83 N N . PHE A 1 10 ? 1.903 -3.263 3.445 1.00 94.11 10 A 1 ATOM 84 C CA . PHE A 1 10 ? 1.260 -4.575 3.439 1.00 93.26 10 A 1 ATOM 85 C C . PHE A 1 10 ? 1.044 -5.077 2.016 1.00 93.56 10 A 1 ATOM 86 O O . PHE A 1 10 ? -0.096 -5.271 1.585 1.00 91.79 10 A 1 ATOM 87 C CB . PHE A 1 10 ? -0.085 -4.486 4.164 1.00 92.21 10 A 1 ATOM 88 C CG . PHE A 1 10 ? 0.055 -4.213 5.642 1.00 89.53 10 A 1 ATOM 89 C CD1 . PHE A 1 10 ? 1.205 -4.552 6.318 1.00 86.03 10 A 1 ATOM 90 C CD2 . PHE A 1 10 ? -0.982 -3.615 6.343 1.00 86.37 10 A 1 ATOM 91 C CE1 . PHE A 1 10 ? 1.335 -4.304 7.674 1.00 85.19 10 A 1 ATOM 92 C CE2 . PHE A 1 10 ? -0.864 -3.371 7.699 1.00 84.75 10 A 1 ATOM 93 C CZ . PHE A 1 10 ? 0.297 -3.713 8.362 1.00 84.61 10 A 1 ATOM 94 N N . PRO A 1 11 ? 2.118 -5.322 1.287 1.00 94.80 11 A 1 ATOM 95 C CA . PRO A 1 11 ? 1.996 -5.828 -0.080 1.00 93.78 11 A 1 ATOM 96 C C . PRO A 1 11 ? 1.642 -7.312 -0.106 1.00 93.78 11 A 1 ATOM 97 O O . PRO A 1 11 ? 1.014 -7.794 -1.045 1.00 91.59 11 A 1 ATOM 98 C CB . PRO A 1 11 ? 3.391 -5.577 -0.654 1.00 92.37 11 A 1 ATOM 99 C CG . PRO A 1 11 ? 4.284 -5.616 0.552 1.00 91.97 11 A 1 ATOM 100 C CD . PRO A 1 11 ? 3.477 -5.103 1.718 1.00 94.45 11 A 1 ATOM 101 N N . THR A 1 12 ? 2.043 -8.033 0.918 1.00 93.33 12 A 1 ATOM 102 C CA . THR A 1 12 ? 1.759 -9.468 1.012 1.00 92.31 12 A 1 ATOM 103 C C . THR A 1 12 ? 0.291 -9.723 1.318 1.00 91.94 12 A 1 ATOM 104 O O . THR A 1 12 ? -0.266 -10.746 0.921 1.00 88.22 12 A 1 ATOM 105 C CB . THR A 1 12 ? 2.636 -10.090 2.106 1.00 90.44 12 A 1 ATOM 106 O OG1 . THR A 1 12 ? 2.291 -11.468 2.234 1.00 85.05 12 A 1 ATOM 107 C CG2 . THR A 1 12 ? 2.414 -9.411 3.446 1.00 83.95 12 A 1 ATOM 108 N N . VAL A 1 13 ? -0.333 -8.810 2.025 1.00 91.42 13 A 1 ATOM 109 C CA . VAL A 1 13 ? -1.750 -8.952 2.375 1.00 90.08 13 A 1 ATOM 110 C C . VAL A 1 13 ? -2.634 -8.567 1.195 1.00 90.12 13 A 1 ATOM 111 O O . VAL A 1 13 ? -3.661 -9.202 0.945 1.00 87.48 13 A 1 ATOM 112 C CB . VAL A 1 13 ? -2.095 -8.077 3.593 1.00 88.05 13 A 1 ATOM 113 C CG1 . VAL A 1 13 ? -3.535 -8.325 4.021 1.00 81.49 13 A 1 ATOM 114 C CG2 . VAL A 1 13 ? -1.152 -8.375 4.749 1.00 81.32 13 A 1 ATOM 115 N N . PHE A 1 14 ? -2.235 -7.534 0.501 1.00 89.86 14 A 1 ATOM 116 C CA . PHE A 1 14 ? -3.002 -7.063 -0.652 1.00 87.87 14 A 1 ATOM 117 C C . PHE A 1 14 ? -2.449 -7.680 -1.937 1.00 88.51 14 A 1 ATOM 118 O O . PHE A 1 14 ? -1.358 -7.322 -2.383 1.00 85.58 14 A 1 ATOM 119 C CB . PHE A 1 14 ? -2.926 -5.537 -0.707 1.00 85.74 14 A 1 ATOM 120 C CG . PHE A 1 14 ? -4.006 -4.950 -1.566 1.00 81.31 14 A 1 ATOM 121 C CD1 . PHE A 1 14 ? -3.836 -4.860 -2.935 1.00 78.51 14 A 1 ATOM 122 C CD2 . PHE A 1 14 ? -5.186 -4.503 -1.003 1.00 77.51 14 A 1 ATOM 123 C CE1 . PHE A 1 14 ? -4.828 -4.328 -3.737 1.00 76.43 14 A 1 ATOM 124 C CE2 . PHE A 1 14 ? -6.190 -3.967 -1.799 1.00 77.44 14 A 1 ATOM 125 C CZ . PHE A 1 14 ? -6.005 -3.878 -3.169 1.00 76.71 14 A 1 ATOM 126 N N . SER A 1 15 ? -3.200 -8.575 -2.499 1.00 90.46 15 A 1 ATOM 127 C CA . SER A 1 15 ? -2.762 -9.219 -3.737 1.00 88.35 15 A 1 ATOM 128 C C . SER A 1 15 ? -3.660 -8.826 -4.910 1.00 84.79 15 A 1 ATOM 129 O O . SER A 1 15 ? -4.887 -8.923 -4.777 1.00 79.92 15 A 1 ATOM 130 C CB . SER A 1 15 ? -2.787 -10.728 -3.551 1.00 84.98 15 A 1 ATOM 131 O OG . SER A 1 15 ? -4.084 -11.153 -3.239 1.00 78.42 15 A 1 ATOM 132 O OXT . SER A 1 15 ? -3.124 -8.433 -5.963 1.00 78.31 15 A 1 #