# 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_spkb18692 # _entry.id spkb18692 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)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 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" # _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 GLN 2 1 n LEU 3 1 n LEU 4 1 n PHE 5 1 n ALA 6 1 n LEU 7 1 n LEU 8 1 n ALA 9 1 n LEU 10 1 n GLY 11 1 n ALA 12 1 n LEU 13 1 n ARG 14 1 n PRO 15 1 n LEU 16 1 n ALA 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 @ 2025-07-06 18:04:32)" _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 90.85 _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 87.56 1 1 A GLN 2 2 91.58 1 2 A LEU 3 2 95.10 1 3 A LEU 4 2 94.85 1 4 A PHE 5 2 93.36 1 5 A ALA 6 2 97.16 1 6 A LEU 7 2 93.65 1 7 A LEU 8 2 93.46 1 8 A ALA 9 2 96.18 1 9 A LEU 10 2 92.92 1 10 A GLY 11 2 95.39 1 11 A ALA 12 2 93.88 1 12 A LEU 13 2 92.25 1 13 A ARG 14 2 85.63 1 14 A PRO 15 2 91.51 1 15 A LEU 16 2 83.71 1 16 A ALA 17 2 80.19 1 17 A GLY 18 2 76.24 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 GLN . 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 ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ARG . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 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 ? -1.022 -1.978 14.981 1.00 93.56 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.279 -0.636 14.440 1.00 94.49 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.257 -0.267 13.356 1.00 94.78 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.532 0.566 12.500 1.00 92.96 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.228 0.394 15.576 1.00 90.48 1 A 1 ATOM 6 C CG . MET A 1 1 ? 0.108 0.404 16.305 1.00 83.90 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.055 0.524 18.088 1.00 81.14 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.264 2.284 18.277 1.00 69.17 1 A 1 ATOM 9 N N . GLN A 1 2 ? 0.910 -0.883 13.400 1.00 95.79 2 A 1 ATOM 10 C CA . GLN A 1 2 ? 1.958 -0.609 12.411 1.00 96.74 2 A 1 ATOM 11 C C . GLN A 1 2 ? 1.817 -1.501 11.181 1.00 97.48 2 A 1 ATOM 12 O O . GLN A 1 2 ? 2.007 -1.054 10.053 1.00 96.32 2 A 1 ATOM 13 C CB . GLN A 1 2 ? 3.332 -0.811 13.053 1.00 95.76 2 A 1 ATOM 14 C CG . GLN A 1 2 ? 4.036 0.518 13.288 1.00 91.19 2 A 1 ATOM 15 C CD . GLN A 1 2 ? 5.027 0.822 12.172 1.00 88.71 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? 5.126 0.102 11.188 1.00 82.09 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? 5.792 1.885 12.330 1.00 80.17 2 A 1 ATOM 18 N N . LEU A 1 3 ? 1.477 -2.759 11.387 1.00 97.19 3 A 1 ATOM 19 C CA . LEU A 1 3 ? 1.311 -3.705 10.277 1.00 97.48 3 A 1 ATOM 20 C C . LEU A 1 3 ? 0.159 -3.285 9.366 1.00 97.71 3 A 1 ATOM 21 O O . LEU A 1 3 ? 0.289 -3.290 8.145 1.00 97.17 3 A 1 ATOM 22 C CB . LEU A 1 3 ? 1.055 -5.108 10.842 1.00 97.32 3 A 1 ATOM 23 C CG . LEU A 1 3 ? 2.315 -5.770 11.392 1.00 94.01 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? 1.937 -6.863 12.381 1.00 90.08 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? 3.130 -6.369 10.253 1.00 89.82 3 A 1 ATOM 26 N N . LEU A 1 4 ? -0.969 -2.908 9.946 1.00 97.23 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -2.136 -2.483 9.168 1.00 97.16 4 A 1 ATOM 28 C C . LEU A 1 4 ? -1.851 -1.169 8.446 1.00 97.25 4 A 1 ATOM 29 O O . LEU A 1 4 ? -2.257 -0.982 7.301 1.00 96.99 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -3.340 -2.330 10.100 1.00 96.97 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -3.789 -3.643 10.737 1.00 93.47 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -4.723 -3.367 11.900 1.00 90.02 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -4.509 -4.511 9.703 1.00 89.73 4 A 1 ATOM 34 N N . PHE A 1 5 ? -1.150 -0.264 9.106 1.00 96.80 5 A 1 ATOM 35 C CA . PHE A 1 5 ? -0.809 1.033 8.518 1.00 96.73 5 A 1 ATOM 36 C C . PHE A 1 5 ? 0.147 0.856 7.340 1.00 97.09 5 A 1 ATOM 37 O O . PHE A 1 5 ? 0.017 1.535 6.321 1.00 96.47 5 A 1 ATOM 38 C CB . PHE A 1 5 ? -0.174 1.922 9.585 1.00 96.07 5 A 1 ATOM 39 C CG . PHE A 1 5 ? 0.121 3.307 9.067 1.00 93.65 5 A 1 ATOM 40 C CD1 . PHE A 1 5 ? -0.911 4.205 8.831 1.00 90.57 5 A 1 ATOM 41 C CD2 . PHE A 1 5 ? 1.427 3.699 8.818 1.00 90.79 5 A 1 ATOM 42 C CE1 . PHE A 1 5 ? -0.648 5.480 8.348 1.00 89.84 5 A 1 ATOM 43 C CE2 . PHE A 1 5 ? 1.700 4.975 8.329 1.00 89.18 5 A 1 ATOM 44 C CZ . PHE A 1 5 ? 0.661 5.868 8.092 1.00 89.77 5 A 1 ATOM 45 N N . ALA A 1 6 ? 1.098 -0.055 7.468 1.00 97.29 6 A 1 ATOM 46 C CA . ALA A 1 6 ? 2.076 -0.312 6.407 1.00 97.34 6 A 1 ATOM 47 C C . ALA A 1 6 ? 1.395 -0.860 5.152 1.00 97.45 6 A 1 ATOM 48 O O . ALA A 1 6 ? 1.733 -0.477 4.033 1.00 96.56 6 A 1 ATOM 49 C CB . ALA A 1 6 ? 3.128 -1.296 6.912 1.00 97.14 6 A 1 ATOM 50 N N . LEU A 1 7 ? 0.427 -1.755 5.337 1.00 96.07 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -0.299 -2.346 4.211 1.00 95.43 7 A 1 ATOM 52 C C . LEU A 1 7 ? -1.161 -1.300 3.513 1.00 95.72 7 A 1 ATOM 53 O O . LEU A 1 7 ? -1.203 -1.240 2.284 1.00 94.98 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -1.170 -3.499 4.727 1.00 95.00 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -0.428 -4.831 4.761 1.00 92.46 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -1.058 -5.767 5.782 1.00 90.21 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -0.458 -5.483 3.385 1.00 89.36 7 A 1 ATOM 58 N N . LEU A 1 8 ? -1.849 -0.476 4.286 1.00 95.66 8 A 1 ATOM 59 C CA . LEU A 1 8 ? -2.706 0.571 3.726 1.00 95.59 8 A 1 ATOM 60 C C . LEU A 1 8 ? -1.872 1.626 3.010 1.00 96.23 8 A 1 ATOM 61 O O . LEU A 1 8 ? -2.273 2.126 1.957 1.00 95.89 8 A 1 ATOM 62 C CB . LEU A 1 8 ? -3.518 1.207 4.853 1.00 95.15 8 A 1 ATOM 63 C CG . LEU A 1 8 ? -4.746 0.381 5.242 1.00 91.07 8 A 1 ATOM 64 C CD1 . LEU A 1 8 ? -5.225 0.769 6.630 1.00 89.22 8 A 1 ATOM 65 C CD2 . LEU A 1 8 ? -5.865 0.593 4.227 1.00 88.84 8 A 1 ATOM 66 N N . ALA A 1 9 ? -0.721 1.954 3.559 1.00 96.41 9 A 1 ATOM 67 C CA . ALA A 1 9 ? 0.166 2.952 2.964 1.00 96.33 9 A 1 ATOM 68 C C . ALA A 1 9 ? 0.664 2.488 1.594 1.00 96.59 9 A 1 ATOM 69 O O . ALA A 1 9 ? 0.707 3.269 0.646 1.00 95.73 9 A 1 ATOM 70 C CB . ALA A 1 9 ? 1.343 3.210 3.896 1.00 95.84 9 A 1 ATOM 71 N N . LEU A 1 10 ? 1.015 1.214 1.483 1.00 95.78 10 A 1 ATOM 72 C CA . LEU A 1 10 ? 1.501 0.657 0.216 1.00 95.31 10 A 1 ATOM 73 C C . LEU A 1 10 ? 0.384 0.621 -0.821 1.00 95.73 10 A 1 ATOM 74 O O . LEU A 1 10 ? 0.615 0.881 -2.003 1.00 94.69 10 A 1 ATOM 75 C CB . LEU A 1 10 ? 2.043 -0.753 0.460 1.00 94.46 10 A 1 ATOM 76 C CG . LEU A 1 10 ? 3.444 -0.768 1.066 1.00 91.36 10 A 1 ATOM 77 C CD1 . LEU A 1 10 ? 3.735 -2.114 1.707 1.00 88.46 10 A 1 ATOM 78 C CD2 . LEU A 1 10 ? 4.482 -0.478 -0.016 1.00 87.61 10 A 1 ATOM 79 N N . GLY A 1 11 ? -0.816 0.295 -0.393 1.00 95.56 11 A 1 ATOM 80 C CA . GLY A 1 11 ? -1.967 0.247 -1.294 1.00 95.28 11 A 1 ATOM 81 C C . GLY A 1 11 ? -2.314 1.618 -1.837 1.00 95.77 11 A 1 ATOM 82 O O . GLY A 1 11 ? -2.686 1.757 -3.003 1.00 94.94 11 A 1 ATOM 83 N N . ALA A 1 12 ? -2.195 2.639 -1.009 1.00 94.74 12 A 1 ATOM 84 C CA . ALA A 1 12 ? -2.488 4.014 -1.414 1.00 94.31 12 A 1 ATOM 85 C C . ALA A 1 12 ? -1.429 4.540 -2.383 1.00 94.73 12 A 1 ATOM 86 O O . ALA A 1 12 ? -1.733 5.356 -3.254 1.00 92.53 12 A 1 ATOM 87 C CB . ALA A 1 12 ? -2.562 4.905 -0.180 1.00 93.11 12 A 1 ATOM 88 N N . LEU A 1 13 ? -0.193 4.064 -2.243 1.00 95.56 13 A 1 ATOM 89 C CA . LEU A 1 13 ? 0.910 4.482 -3.109 1.00 94.98 13 A 1 ATOM 90 C C . LEU A 1 13 ? 0.736 3.936 -4.522 1.00 94.98 13 A 1 ATOM 91 O O . LEU A 1 13 ? 1.282 4.479 -5.480 1.00 92.72 13 A 1 ATOM 92 C CB . LEU A 1 13 ? 2.245 4.010 -2.517 1.00 94.23 13 A 1 ATOM 93 C CG . LEU A 1 13 ? 3.084 5.109 -1.867 1.00 92.30 13 A 1 ATOM 94 C CD1 . LEU A 1 13 ? 3.487 6.159 -2.880 1.00 87.55 13 A 1 ATOM 95 C CD2 . LEU A 1 13 ? 2.332 5.733 -0.711 1.00 85.67 13 A 1 ATOM 96 N N . ARG A 1 14 ? -0.028 2.859 -4.671 1.00 93.81 14 A 1 ATOM 97 C CA . ARG A 1 14 ? -0.260 2.241 -5.980 1.00 93.80 14 A 1 ATOM 98 C C . ARG A 1 14 ? -1.740 1.918 -6.172 1.00 94.14 14 A 1 ATOM 99 O O . ARG A 1 14 ? -2.187 0.828 -5.834 1.00 92.13 14 A 1 ATOM 100 C CB . ARG A 1 14 ? 0.582 0.972 -6.098 1.00 91.42 14 A 1 ATOM 101 C CG . ARG A 1 14 ? 0.873 0.648 -7.546 1.00 85.26 14 A 1 ATOM 102 C CD . ARG A 1 14 ? 1.553 -0.715 -7.662 1.00 84.22 14 A 1 ATOM 103 N NE . ARG A 1 14 ? 2.991 -0.620 -7.411 1.00 81.90 14 A 1 ATOM 104 C CZ . ARG A 1 14 ? 3.785 -1.670 -7.283 1.00 78.32 14 A 1 ATOM 105 N NH1 . ARG A 1 14 ? 3.297 -2.899 -7.353 1.00 72.70 14 A 1 ATOM 106 N NH2 . ARG A 1 14 ? 5.073 -1.497 -7.081 1.00 74.19 14 A 1 ATOM 107 N N . PRO A 1 15 ? -2.504 2.856 -6.747 1.00 93.30 15 A 1 ATOM 108 C CA . PRO A 1 15 ? -3.936 2.642 -6.995 1.00 92.93 15 A 1 ATOM 109 C C . PRO A 1 15 ? -4.186 1.556 -8.034 1.00 93.39 15 A 1 ATOM 110 O O . PRO A 1 15 ? -5.272 0.968 -8.074 1.00 89.97 15 A 1 ATOM 111 C CB . PRO A 1 15 ? -4.422 4.004 -7.500 1.00 90.68 15 A 1 ATOM 112 C CG . PRO A 1 15 ? -3.205 4.685 -8.019 1.00 88.79 15 A 1 ATOM 113 C CD . PRO A 1 15 ? -2.051 4.175 -7.191 1.00 91.53 15 A 1 ATOM 114 N N . LEU A 1 16 ? -3.190 1.288 -8.872 1.00 90.96 16 A 1 ATOM 115 C CA . LEU A 1 16 ? -3.282 0.259 -9.907 1.00 89.01 16 A 1 ATOM 116 C C . LEU A 1 16 ? -2.678 -1.052 -9.405 1.00 89.20 16 A 1 ATOM 117 O O . LEU A 1 16 ? -1.749 -1.593 -10.002 1.00 84.35 16 A 1 ATOM 118 C CB . LEU A 1 16 ? -2.569 0.741 -11.170 1.00 86.79 16 A 1 ATOM 119 C CG . LEU A 1 16 ? -3.449 0.681 -12.408 1.00 81.10 16 A 1 ATOM 120 C CD1 . LEU A 1 16 ? -4.255 1.963 -12.550 1.00 76.23 16 A 1 ATOM 121 C CD2 . LEU A 1 16 ? -2.600 0.456 -13.646 1.00 72.01 16 A 1 ATOM 122 N N . ALA A 1 17 ? -3.222 -1.553 -8.314 1.00 83.16 17 A 1 ATOM 123 C CA . ALA A 1 17 ? -2.734 -2.799 -7.721 1.00 80.92 17 A 1 ATOM 124 C C . ALA A 1 17 ? -2.866 -3.953 -8.714 1.00 81.18 17 A 1 ATOM 125 O O . ALA A 1 17 ? -3.978 -4.308 -9.114 1.00 77.26 17 A 1 ATOM 126 C CB . ALA A 1 17 ? -3.518 -3.097 -6.449 1.00 78.43 17 A 1 ATOM 127 N N . GLY A 1 18 ? -1.721 -4.532 -9.102 1.00 84.86 18 A 1 ATOM 128 C CA . GLY A 1 18 ? -1.709 -5.654 -10.052 1.00 79.41 18 A 1 ATOM 129 C C . GLY A 1 18 ? -0.322 -6.204 -10.214 1.00 75.46 18 A 1 ATOM 130 O O . GLY A 1 18 ? -0.115 -7.396 -9.930 1.00 69.45 18 A 1 ATOM 131 O OXT . GLY A 1 18 ? 0.578 -5.440 -10.601 1.00 72.03 18 A 1 #