# 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_spkb11469 # _entry.id spkb11469 # 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 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" "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" "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 ARG 2 1 n ALA 3 1 n LEU 4 1 n PHE 5 1 n LEU 6 1 n LEU 7 1 n ALA 8 1 n LEU 9 1 n GLY 10 1 n SER 11 1 n ILE 12 1 n PRO 13 1 n ALA 14 1 n LEU 15 1 n VAL 16 1 n SER 17 1 n GLY 18 # _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 @ 2025-07-02 18:09:37)" _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 88.37 _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 81.84 1 1 A ARG 2 2 80.59 1 2 A ALA 3 2 90.34 1 3 A LEU 4 2 88.12 1 4 A PHE 5 2 88.61 1 5 A LEU 6 2 89.98 1 6 A LEU 7 2 87.87 1 7 A ALA 8 2 92.02 1 8 A LEU 9 2 89.63 1 9 A GLY 10 2 93.89 1 10 A SER 11 2 92.20 1 11 A ILE 12 2 90.12 1 12 A PRO 13 2 93.55 1 13 A ALA 14 2 94.44 1 14 A LEU 15 2 89.18 1 15 A VAL 16 2 90.26 1 16 A SER 17 2 87.66 1 17 A GLY 18 2 78.23 1 18 # _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 ARG . 2 A 2 A 3 1 n ALA . 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 LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n GLY . 18 A 18 # _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 ? -6.913 2.972 15.746 1.00 87.79 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.733 3.459 15.007 1.00 89.27 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.826 3.084 13.524 1.00 89.82 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.722 2.357 13.117 1.00 86.60 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.456 2.859 15.606 1.00 83.24 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.228 3.304 17.046 1.00 77.97 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.744 2.587 17.768 1.00 74.75 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.768 3.367 19.375 1.00 65.31 1 A 1 ATOM 9 N N . ARG A 1 2 ? -4.887 3.579 12.709 1.00 87.87 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -4.870 3.322 11.270 1.00 89.58 2 A 1 ATOM 11 C C . ARG A 1 2 ? -3.606 2.581 10.830 1.00 90.41 2 A 1 ATOM 12 O O . ARG A 1 2 ? -3.036 2.886 9.781 1.00 88.41 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -4.990 4.640 10.505 1.00 86.71 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -3.874 5.624 10.834 1.00 81.25 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -4.021 6.901 10.032 1.00 79.53 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -2.941 7.845 10.312 1.00 75.29 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -2.848 9.054 9.762 1.00 73.34 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -3.768 9.467 8.908 1.00 66.53 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -1.835 9.839 10.072 1.00 67.54 2 A 1 ATOM 20 N N . ALA A 1 3 ? -3.182 1.624 11.626 1.00 90.28 3 A 1 ATOM 21 C CA . ALA A 1 3 ? -1.975 0.852 11.313 1.00 91.20 3 A 1 ATOM 22 C C . ALA A 1 3 ? -2.139 0.071 10.010 1.00 92.01 3 A 1 ATOM 23 O O . ALA A 1 3 ? -1.212 -0.030 9.209 1.00 88.98 3 A 1 ATOM 24 C CB . ALA A 1 3 ? -1.659 -0.105 12.460 1.00 89.23 3 A 1 ATOM 25 N N . LEU A 1 4 ? -3.347 -0.475 9.788 1.00 92.24 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -3.639 -1.238 8.574 1.00 91.40 4 A 1 ATOM 27 C C . LEU A 1 4 ? -3.626 -0.335 7.346 1.00 91.88 4 A 1 ATOM 28 O O . LEU A 1 4 ? -3.286 -0.772 6.246 1.00 90.05 4 A 1 ATOM 29 C CB . LEU A 1 4 ? -5.004 -1.921 8.702 1.00 90.48 4 A 1 ATOM 30 C CG . LEU A 1 4 ? -5.086 -2.961 9.818 1.00 86.05 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? -6.506 -3.492 9.937 1.00 81.96 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? -4.116 -4.105 9.548 1.00 80.90 4 A 1 ATOM 33 N N . PHE A 1 5 ? -4.007 0.924 7.530 1.00 92.24 5 A 1 ATOM 34 C CA . PHE A 1 5 ? -4.033 1.895 6.439 1.00 92.17 5 A 1 ATOM 35 C C . PHE A 1 5 ? -2.634 2.126 5.877 1.00 93.32 5 A 1 ATOM 36 O O . PHE A 1 5 ? -2.433 2.127 4.662 1.00 91.93 5 A 1 ATOM 37 C CB . PHE A 1 5 ? -4.619 3.218 6.930 1.00 91.63 5 A 1 ATOM 38 C CG . PHE A 1 5 ? -4.549 4.309 5.892 1.00 89.55 5 A 1 ATOM 39 C CD1 . PHE A 1 5 ? -5.400 4.298 4.798 1.00 85.94 5 A 1 ATOM 40 C CD2 . PHE A 1 5 ? -3.627 5.334 6.013 1.00 85.48 5 A 1 ATOM 41 C CE1 . PHE A 1 5 ? -5.332 5.296 3.837 1.00 84.27 5 A 1 ATOM 42 C CE2 . PHE A 1 5 ? -3.554 6.337 5.050 1.00 83.59 5 A 1 ATOM 43 C CZ . PHE A 1 5 ? -4.408 6.316 3.962 1.00 84.54 5 A 1 ATOM 44 N N . LEU A 1 6 ? -1.671 2.327 6.769 1.00 92.19 6 A 1 ATOM 45 C CA . LEU A 1 6 ? -0.291 2.567 6.357 1.00 92.17 6 A 1 ATOM 46 C C . LEU A 1 6 ? 0.299 1.326 5.698 1.00 93.24 6 A 1 ATOM 47 O O . LEU A 1 6 ? 1.055 1.418 4.730 1.00 92.28 6 A 1 ATOM 48 C CB . LEU A 1 6 ? 0.557 2.970 7.569 1.00 91.56 6 A 1 ATOM 49 C CG . LEU A 1 6 ? 0.162 4.304 8.205 1.00 88.04 6 A 1 ATOM 50 C CD1 . LEU A 1 6 ? 0.964 4.544 9.479 1.00 85.68 6 A 1 ATOM 51 C CD2 . LEU A 1 6 ? 0.376 5.444 7.226 1.00 84.68 6 A 1 ATOM 52 N N . LEU A 1 7 ? -0.063 0.164 6.221 1.00 91.46 7 A 1 ATOM 53 C CA . LEU A 1 7 ? 0.425 -1.102 5.684 1.00 90.79 7 A 1 ATOM 54 C C . LEU A 1 7 ? -0.122 -1.344 4.281 1.00 91.92 7 A 1 ATOM 55 O O . LEU A 1 7 ? 0.604 -1.790 3.390 1.00 90.47 7 A 1 ATOM 56 C CB . LEU A 1 7 ? 0.015 -2.253 6.603 1.00 89.99 7 A 1 ATOM 57 C CG . LEU A 1 7 ? 0.561 -3.616 6.186 1.00 84.48 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? 2.082 -3.629 6.264 1.00 82.35 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? -0.019 -4.706 7.071 1.00 81.51 7 A 1 ATOM 60 N N . ALA A 1 8 ? -1.409 -1.053 4.088 1.00 92.51 8 A 1 ATOM 61 C CA . ALA A 1 8 ? -2.058 -1.242 2.793 1.00 92.10 8 A 1 ATOM 62 C C . ALA A 1 8 ? -1.533 -0.245 1.766 1.00 93.11 8 A 1 ATOM 63 O O . ALA A 1 8 ? -1.350 -0.586 0.597 1.00 91.10 8 A 1 ATOM 64 C CB . ALA A 1 8 ? -3.569 -1.090 2.946 1.00 91.26 8 A 1 ATOM 65 N N . LEU A 1 9 ? -1.283 0.983 2.202 1.00 93.21 9 A 1 ATOM 66 C CA . LEU A 1 9 ? -0.785 2.036 1.322 1.00 92.88 9 A 1 ATOM 67 C C . LEU A 1 9 ? 0.582 1.670 0.750 1.00 93.29 9 A 1 ATOM 68 O O . LEU A 1 9 ? 0.899 2.005 -0.391 1.00 91.25 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -0.691 3.356 2.090 1.00 91.55 9 A 1 ATOM 70 C CG . LEU A 1 9 ? -0.265 4.553 1.246 1.00 87.77 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? -1.308 4.849 0.178 1.00 84.23 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -0.053 5.773 2.131 1.00 82.86 9 A 1 ATOM 73 N N . GLY A 1 10 ? 1.387 0.993 1.546 1.00 93.93 10 A 1 ATOM 74 C CA . GLY A 1 10 ? 2.721 0.588 1.110 1.00 93.59 10 A 1 ATOM 75 C C . GLY A 1 10 ? 2.715 -0.671 0.267 1.00 94.67 10 A 1 ATOM 76 O O . GLY A 1 10 ? 3.615 -0.892 -0.542 1.00 93.38 10 A 1 ATOM 77 N N . SER A 1 11 ? 1.692 -1.512 0.436 1.00 93.98 11 A 1 ATOM 78 C CA . SER A 1 11 ? 1.589 -2.771 -0.303 1.00 94.25 11 A 1 ATOM 79 C C . SER A 1 11 ? 0.958 -2.582 -1.678 1.00 94.87 11 A 1 ATOM 80 O O . SER A 1 11 ? 1.230 -3.349 -2.601 1.00 92.81 11 A 1 ATOM 81 C CB . SER A 1 11 ? 0.772 -3.788 0.498 1.00 92.25 11 A 1 ATOM 82 O OG . SER A 1 11 ? -0.552 -3.340 0.663 1.00 85.05 11 A 1 ATOM 83 N N . ILE A 1 12 ? 0.108 -1.571 -1.828 1.00 92.89 12 A 1 ATOM 84 C CA . ILE A 1 12 ? -0.552 -1.291 -3.101 1.00 92.81 12 A 1 ATOM 85 C C . ILE A 1 12 ? 0.453 -1.023 -4.223 1.00 93.92 12 A 1 ATOM 86 O O . ILE A 1 12 ? 0.378 -1.647 -5.288 1.00 92.74 12 A 1 ATOM 87 C CB . ILE A 1 12 ? -1.522 -0.104 -2.968 1.00 91.84 12 A 1 ATOM 88 C CG1 . ILE A 1 12 ? -2.711 -0.483 -2.090 1.00 88.25 12 A 1 ATOM 89 C CG2 . ILE A 1 12 ? -2.010 0.331 -4.346 1.00 86.97 12 A 1 ATOM 90 C CD1 . ILE A 1 12 ? -3.574 0.702 -1.714 1.00 81.55 12 A 1 ATOM 91 N N . PRO A 1 13 ? 1.391 -0.084 -4.036 1.00 95.06 13 A 1 ATOM 92 C CA . PRO A 1 13 ? 2.380 0.224 -5.077 1.00 94.42 13 A 1 ATOM 93 C C . PRO A 1 13 ? 3.278 -0.965 -5.380 1.00 94.94 13 A 1 ATOM 94 O O . PRO A 1 13 ? 3.776 -1.099 -6.499 1.00 93.30 13 A 1 ATOM 95 C CB . PRO A 1 13 ? 3.191 1.382 -4.481 1.00 92.37 13 A 1 ATOM 96 C CG . PRO A 1 13 ? 2.994 1.257 -3.011 1.00 90.74 13 A 1 ATOM 97 C CD . PRO A 1 13 ? 1.588 0.735 -2.847 1.00 94.05 13 A 1 ATOM 98 N N . ALA A 1 14 ? 3.483 -1.838 -4.415 1.00 95.01 14 A 1 ATOM 99 C CA . ALA A 1 14 ? 4.317 -3.024 -4.595 1.00 94.93 14 A 1 ATOM 100 C C . ALA A 1 14 ? 3.681 -3.986 -5.592 1.00 95.57 14 A 1 ATOM 101 O O . ALA A 1 14 ? 4.366 -4.578 -6.424 1.00 93.19 14 A 1 ATOM 102 C CB . ALA A 1 14 ? 4.535 -3.721 -3.257 1.00 93.52 14 A 1 ATOM 103 N N . LEU A 1 15 ? 2.352 -4.138 -5.520 1.00 93.56 15 A 1 ATOM 104 C CA . LEU A 1 15 ? 1.618 -5.023 -6.420 1.00 92.84 15 A 1 ATOM 105 C C . LEU A 1 15 ? 1.549 -4.434 -7.821 1.00 93.20 15 A 1 ATOM 106 O O . LEU A 1 15 ? 1.590 -5.165 -8.812 1.00 90.60 15 A 1 ATOM 107 C CB . LEU A 1 15 ? 0.205 -5.255 -5.885 1.00 91.91 15 A 1 ATOM 108 C CG . LEU A 1 15 ? 0.150 -6.029 -4.572 1.00 87.51 15 A 1 ATOM 109 C CD1 . LEU A 1 15 ? -1.271 -6.068 -4.042 1.00 83.11 15 A 1 ATOM 110 C CD2 . LEU A 1 15 ? 0.679 -7.443 -4.767 1.00 80.71 15 A 1 ATOM 111 N N . VAL A 1 16 ? 1.434 -3.115 -7.922 1.00 93.70 16 A 1 ATOM 112 C CA . VAL A 1 16 ? 1.365 -2.426 -9.209 1.00 92.85 16 A 1 ATOM 113 C C . VAL A 1 16 ? 2.699 -2.494 -9.941 1.00 93.05 16 A 1 ATOM 114 O O . VAL A 1 16 ? 2.746 -2.760 -11.144 1.00 90.75 16 A 1 ATOM 115 C CB . VAL A 1 16 ? 0.960 -0.957 -9.025 1.00 90.98 16 A 1 ATOM 116 C CG1 . VAL A 1 16 ? 0.959 -0.238 -10.365 1.00 84.37 16 A 1 ATOM 117 C CG2 . VAL A 1 16 ? -0.402 -0.863 -8.375 1.00 86.10 16 A 1 ATOM 118 N N . SER A 1 17 ? 3.789 -2.245 -9.229 1.00 93.23 17 A 1 ATOM 119 C CA . SER A 1 17 ? 5.130 -2.275 -9.813 1.00 91.81 17 A 1 ATOM 120 C C . SER A 1 17 ? 5.549 -3.697 -10.149 1.00 90.81 17 A 1 ATOM 121 O O . SER A 1 17 ? 6.051 -3.963 -11.242 1.00 84.12 17 A 1 ATOM 122 C CB . SER A 1 17 ? 6.141 -1.655 -8.850 1.00 88.45 17 A 1 ATOM 123 O OG . SER A 1 17 ? 5.844 -0.286 -8.620 1.00 77.52 17 A 1 ATOM 124 N N . GLY A 1 18 ? 5.314 -4.609 -9.217 1.00 86.51 18 A 1 ATOM 125 C CA . GLY A 1 18 ? 5.672 -6.014 -9.408 1.00 81.61 18 A 1 ATOM 126 C C . GLY A 1 18 ? 7.169 -6.240 -9.343 1.00 77.76 18 A 1 ATOM 127 O O . GLY A 1 18 ? 7.642 -7.269 -9.853 1.00 70.49 18 A 1 ATOM 128 O OXT . GLY A 1 18 ? 7.900 -5.433 -8.761 1.00 74.79 18 A 1 #