# 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_spkb34672 # _entry.id spkb34672 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)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" "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" "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 ASN 2 1 n ARG 3 1 n LEU 4 1 n MET 5 1 n ILE 6 1 n VAL 7 1 n SER 8 1 n LEU 9 1 n LEU 10 1 n GLY 11 1 n ILE 12 1 n ALA 13 1 n THR 14 1 n VAL 15 1 n LEU 16 1 n GLY 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 @ 2025-07-12 03:20:09)" _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 92.39 _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 81.65 1 1 A ASN 2 2 91.41 1 2 A ARG 3 2 87.83 1 3 A LEU 4 2 94.50 1 4 A MET 5 2 90.69 1 5 A ILE 6 2 94.18 1 6 A VAL 7 2 96.24 1 7 A SER 8 2 95.50 1 8 A LEU 9 2 93.98 1 9 A LEU 10 2 94.05 1 10 A GLY 11 2 97.52 1 11 A ILE 12 2 94.85 1 12 A ALA 13 2 97.36 1 13 A THR 14 2 95.58 1 14 A VAL 15 2 96.43 1 15 A LEU 16 2 93.08 1 16 A GLY 17 2 90.80 1 17 A GLY 18 2 80.35 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 ASN . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n MET . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n GLY . 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 ? -12.521 -6.552 -2.388 1.00 88.90 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.113 -6.572 -1.948 1.00 90.46 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.000 -6.184 -0.484 1.00 91.17 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.765 -5.346 -0.000 1.00 87.40 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.272 -5.623 -2.799 1.00 83.74 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.793 -5.856 -2.639 1.00 76.94 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.717 -4.992 -3.791 1.00 72.17 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.794 -4.346 -5.033 1.00 62.44 1 A 1 ATOM 9 N N . ASN A 1 2 ? -10.056 -6.776 0.233 1.00 95.57 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -9.871 -6.509 1.653 1.00 95.82 2 A 1 ATOM 11 C C . ASN A 1 2 ? -9.290 -5.107 1.869 1.00 96.20 2 A 1 ATOM 12 O O . ASN A 1 2 ? -8.319 -4.725 1.224 1.00 95.00 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -8.951 -7.567 2.264 1.00 93.92 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -8.924 -7.499 3.781 1.00 88.20 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -9.389 -6.552 4.392 1.00 85.05 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -8.369 -8.523 4.408 1.00 81.54 2 A 1 ATOM 17 N N . ARG A 1 3 ? -9.887 -4.364 2.799 1.00 96.22 3 A 1 ATOM 18 C CA . ARG A 1 3 ? -9.431 -3.006 3.107 1.00 96.71 3 A 1 ATOM 19 C C . ARG A 1 3 ? -7.988 -2.999 3.602 1.00 97.40 3 A 1 ATOM 20 O O . ARG A 1 3 ? -7.222 -2.097 3.265 1.00 96.13 3 A 1 ATOM 21 C CB . ARG A 1 3 ? -10.337 -2.352 4.152 1.00 95.54 3 A 1 ATOM 22 C CG . ARG A 1 3 ? -11.738 -2.077 3.623 1.00 90.35 3 A 1 ATOM 23 C CD . ARG A 1 3 ? -12.536 -1.251 4.610 1.00 88.11 3 A 1 ATOM 24 N NE . ARG A 1 3 ? -13.868 -0.937 4.097 1.00 81.78 3 A 1 ATOM 25 C CZ . ARG A 1 3 ? -14.590 0.116 4.449 1.00 79.87 3 A 1 ATOM 26 N NH1 . ARG A 1 3 ? -14.126 0.988 5.318 1.00 72.36 3 A 1 ATOM 27 N NH2 . ARG A 1 3 ? -15.786 0.306 3.926 1.00 71.66 3 A 1 ATOM 28 N N . LEU A 1 4 ? -7.611 -3.995 4.393 1.00 96.85 4 A 1 ATOM 29 C CA . LEU A 1 4 ? -6.252 -4.091 4.924 1.00 97.31 4 A 1 ATOM 30 C C . LEU A 1 4 ? -5.228 -4.214 3.797 1.00 97.62 4 A 1 ATOM 31 O O . LEU A 1 4 ? -4.140 -3.646 3.869 1.00 96.95 4 A 1 ATOM 32 C CB . LEU A 1 4 ? -6.136 -5.290 5.869 1.00 97.00 4 A 1 ATOM 33 C CG . LEU A 1 4 ? -6.973 -5.174 7.146 1.00 93.42 4 A 1 ATOM 34 C CD1 . LEU A 1 4 ? -6.886 -6.467 7.946 1.00 89.13 4 A 1 ATOM 35 C CD2 . LEU A 1 4 ? -6.499 -4.006 8.000 1.00 87.69 4 A 1 ATOM 36 N N . MET A 1 5 ? -5.585 -4.945 2.756 1.00 97.17 5 A 1 ATOM 37 C CA . MET A 1 5 ? -4.708 -5.112 1.600 1.00 97.16 5 A 1 ATOM 38 C C . MET A 1 5 ? -4.512 -3.786 0.869 1.00 97.43 5 A 1 ATOM 39 O O . MET A 1 5 ? -3.404 -3.455 0.444 1.00 96.66 5 A 1 ATOM 40 C CB . MET A 1 5 ? -5.281 -6.166 0.660 1.00 96.39 5 A 1 ATOM 41 C CG . MET A 1 5 ? -4.359 -6.490 -0.492 1.00 87.64 5 A 1 ATOM 42 S SD . MET A 1 5 ? -4.967 -7.838 -1.510 1.00 81.49 5 A 1 ATOM 43 C CE . MET A 1 5 ? -3.695 -7.876 -2.762 1.00 71.54 5 A 1 ATOM 44 N N . ILE A 1 6 ? -5.593 -3.017 0.733 1.00 96.72 6 A 1 ATOM 45 C CA . ILE A 1 6 ? -5.533 -1.705 0.085 1.00 96.83 6 A 1 ATOM 46 C C . ILE A 1 6 ? -4.676 -0.743 0.894 1.00 97.07 6 A 1 ATOM 47 O O . ILE A 1 6 ? -3.830 -0.035 0.344 1.00 96.65 6 A 1 ATOM 48 C CB . ILE A 1 6 ? -6.944 -1.127 -0.105 1.00 96.28 6 A 1 ATOM 49 C CG1 . ILE A 1 6 ? -7.753 -1.995 -1.083 1.00 92.45 6 A 1 ATOM 50 C CG2 . ILE A 1 6 ? -6.877 0.312 -0.598 1.00 91.97 6 A 1 ATOM 51 C CD1 . ILE A 1 6 ? -7.163 -2.038 -2.482 1.00 85.48 6 A 1 ATOM 52 N N . VAL A 1 7 ? -4.883 -0.721 2.202 1.00 97.48 7 A 1 ATOM 53 C CA . VAL A 1 7 ? -4.104 0.150 3.085 1.00 97.47 7 A 1 ATOM 54 C C . VAL A 1 7 ? -2.620 -0.192 3.004 1.00 97.60 7 A 1 ATOM 55 O O . VAL A 1 7 ? -1.771 0.699 2.938 1.00 97.05 7 A 1 ATOM 56 C CB . VAL A 1 7 ? -4.602 0.047 4.534 1.00 96.85 7 A 1 ATOM 57 C CG1 . VAL A 1 7 ? -3.696 0.819 5.488 1.00 93.60 7 A 1 ATOM 58 C CG2 . VAL A 1 7 ? -6.022 0.581 4.640 1.00 93.65 7 A 1 ATOM 59 N N . SER A 1 8 ? -2.309 -1.476 2.984 1.00 97.45 8 A 1 ATOM 60 C CA . SER A 1 8 ? -0.923 -1.929 2.882 1.00 97.42 8 A 1 ATOM 61 C C . SER A 1 8 ? -0.299 -1.480 1.563 1.00 97.63 8 A 1 ATOM 62 O O . SER A 1 8 ? 0.838 -1.017 1.534 1.00 97.09 8 A 1 ATOM 63 C CB . SER A 1 8 ? -0.851 -3.448 2.990 1.00 96.75 8 A 1 ATOM 64 O OG . SER A 1 8 ? -1.332 -3.875 4.248 1.00 86.68 8 A 1 ATOM 65 N N . LEU A 1 9 ? -1.057 -1.603 0.483 1.00 96.80 9 A 1 ATOM 66 C CA . LEU A 1 9 ? -0.586 -1.195 -0.837 1.00 96.79 9 A 1 ATOM 67 C C . LEU A 1 9 ? -0.329 0.308 -0.877 1.00 97.15 9 A 1 ATOM 68 O O . LEU A 1 9 ? 0.679 0.757 -1.428 1.00 96.76 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -1.606 -1.617 -1.899 1.00 96.15 9 A 1 ATOM 70 C CG . LEU A 1 9 ? -1.128 -1.449 -3.342 1.00 91.78 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? -1.785 -2.494 -4.234 1.00 88.38 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -1.452 -0.065 -3.880 1.00 88.02 9 A 1 ATOM 73 N N . LEU A 1 10 ? -1.228 1.092 -0.289 1.00 96.59 10 A 1 ATOM 74 C CA . LEU A 1 10 ? -1.066 2.543 -0.233 1.00 96.68 10 A 1 ATOM 75 C C . LEU A 1 10 ? 0.177 2.929 0.559 1.00 97.04 10 A 1 ATOM 76 O O . LEU A 1 10 ? 0.889 3.861 0.187 1.00 96.44 10 A 1 ATOM 77 C CB . LEU A 1 10 ? -2.307 3.184 0.393 1.00 96.12 10 A 1 ATOM 78 C CG . LEU A 1 10 ? -3.553 3.144 -0.488 1.00 92.33 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? -4.764 3.633 0.297 1.00 88.76 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? -3.370 4.002 -1.731 1.00 88.41 10 A 1 ATOM 81 N N . GLY A 1 11 ? 0.435 2.212 1.644 1.00 97.33 11 A 1 ATOM 82 C CA . GLY A 1 11 ? 1.624 2.459 2.452 1.00 97.44 11 A 1 ATOM 83 C C . GLY A 1 11 ? 2.898 2.228 1.664 1.00 97.86 11 A 1 ATOM 84 O O . GLY A 1 11 ? 3.819 3.047 1.693 1.00 97.43 11 A 1 ATOM 85 N N . ILE A 1 12 ? 2.950 1.109 0.945 1.00 97.45 12 A 1 ATOM 86 C CA . ILE A 1 12 ? 4.109 0.780 0.118 1.00 97.32 12 A 1 ATOM 87 C C . ILE A 1 12 ? 4.282 1.817 -0.988 1.00 97.64 12 A 1 ATOM 88 O O . ILE A 1 12 ? 5.399 2.268 -1.261 1.00 96.94 12 A 1 ATOM 89 C CB . ILE A 1 12 ? 3.967 -0.629 -0.482 1.00 96.47 12 A 1 ATOM 90 C CG1 . ILE A 1 12 ? 3.977 -1.681 0.635 1.00 93.04 12 A 1 ATOM 91 C CG2 . ILE A 1 12 ? 5.096 -0.900 -1.479 1.00 92.27 12 A 1 ATOM 92 C CD1 . ILE A 1 12 ? 3.547 -3.061 0.174 1.00 87.69 12 A 1 ATOM 93 N N . ALA A 1 13 ? 3.182 2.210 -1.616 1.00 97.86 13 A 1 ATOM 94 C CA . ALA A 1 13 ? 3.216 3.215 -2.673 1.00 97.64 13 A 1 ATOM 95 C C . ALA A 1 13 ? 3.742 4.550 -2.159 1.00 97.84 13 A 1 ATOM 96 O O . ALA A 1 13 ? 4.475 5.247 -2.862 1.00 96.79 13 A 1 ATOM 97 C CB . ALA A 1 13 ? 1.821 3.390 -3.266 1.00 96.69 13 A 1 ATOM 98 N N . THR A 1 14 ? 3.385 4.905 -0.928 1.00 97.89 14 A 1 ATOM 99 C CA . THR A 1 14 ? 3.850 6.147 -0.311 1.00 97.70 14 A 1 ATOM 100 C C . THR A 1 14 ? 5.359 6.119 -0.111 1.00 97.88 14 A 1 ATOM 101 O O . THR A 1 14 ? 6.043 7.104 -0.388 1.00 96.58 14 A 1 ATOM 102 C CB . THR A 1 14 ? 3.164 6.374 1.037 1.00 96.74 14 A 1 ATOM 103 O OG1 . THR A 1 14 ? 1.753 6.441 0.849 1.00 91.46 14 A 1 ATOM 104 C CG2 . THR A 1 14 ? 3.628 7.672 1.670 1.00 90.82 14 A 1 ATOM 105 N N . VAL A 1 15 ? 5.884 4.993 0.362 1.00 97.99 15 A 1 ATOM 106 C CA . VAL A 1 15 ? 7.324 4.847 0.572 1.00 97.88 15 A 1 ATOM 107 C C . VAL A 1 15 ? 8.071 4.894 -0.758 1.00 97.92 15 A 1 ATOM 108 O O . VAL A 1 15 ? 9.119 5.536 -0.869 1.00 96.81 15 A 1 ATOM 109 C CB . VAL A 1 15 ? 7.639 3.538 1.312 1.00 97.09 15 A 1 ATOM 110 C CG1 . VAL A 1 15 ? 9.144 3.321 1.420 1.00 93.58 15 A 1 ATOM 111 C CG2 . VAL A 1 15 ? 7.020 3.559 2.698 1.00 93.77 15 A 1 ATOM 112 N N . LEU A 1 16 ? 7.534 4.212 -1.761 1.00 97.10 16 A 1 ATOM 113 C CA . LEU A 1 16 ? 8.178 4.136 -3.069 1.00 96.81 16 A 1 ATOM 114 C C . LEU A 1 16 ? 8.137 5.463 -3.814 1.00 96.77 16 A 1 ATOM 115 O O . LEU A 1 16 ? 9.124 5.860 -4.445 1.00 95.41 16 A 1 ATOM 116 C CB . LEU A 1 16 ? 7.505 3.044 -3.908 1.00 95.76 16 A 1 ATOM 117 C CG . LEU A 1 16 ? 8.142 2.810 -5.277 1.00 91.44 16 A 1 ATOM 118 C CD1 . LEU A 1 16 ? 9.568 2.301 -5.133 1.00 86.36 16 A 1 ATOM 119 C CD2 . LEU A 1 16 ? 7.314 1.819 -6.079 1.00 84.98 16 A 1 ATOM 120 N N . GLY A 1 17 ? 7.000 6.160 -3.748 1.00 93.89 17 A 1 ATOM 121 C CA . GLY A 1 17 ? 6.821 7.413 -4.485 1.00 91.75 17 A 1 ATOM 122 C C . GLY A 1 17 ? 7.058 8.670 -3.673 1.00 91.00 17 A 1 ATOM 123 O O . GLY A 1 17 ? 7.121 9.766 -4.232 1.00 86.57 17 A 1 ATOM 124 N N . GLY A 1 18 ? 7.191 8.529 -2.349 1.00 89.67 18 A 1 ATOM 125 C CA . GLY A 1 18 ? 7.349 9.672 -1.464 1.00 83.99 18 A 1 ATOM 126 C C . GLY A 1 18 ? 8.713 10.331 -1.560 1.00 79.23 18 A 1 ATOM 127 O O . GLY A 1 18 ? 9.688 9.680 -1.958 1.00 71.79 18 A 1 ATOM 128 O OXT . GLY A 1 18 ? 8.829 11.532 -1.190 1.00 77.08 18 A 1 #