# 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_spkb13512 # _entry.id spkb13512 # 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" "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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 ALA 2 1 n TRP 3 1 n LEU 4 1 n VAL 5 1 n LEU 6 1 n LEU 7 1 n GLY 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n CYS 12 1 n MET 13 1 n LEU 14 1 n GLY 15 1 n ALA 16 1 n GLY 17 1 n SER 18 1 n GLY 19 # _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 @ 2025-07-04 03:52:09)" _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 94.91 _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 90.37 1 1 A ALA 2 2 98.08 1 2 A TRP 3 2 96.39 1 3 A LEU 4 2 96.91 1 4 A VAL 5 2 98.33 1 5 A LEU 6 2 96.96 1 6 A LEU 7 2 96.63 1 7 A GLY 8 2 98.44 1 8 A LEU 9 2 96.73 1 9 A LEU 10 2 96.54 1 10 A LEU 11 2 96.36 1 11 A CYS 12 2 97.34 1 12 A MET 13 2 93.24 1 13 A LEU 14 2 96.12 1 14 A GLY 15 2 96.78 1 15 A ALA 16 2 95.11 1 16 A GLY 17 2 90.54 1 17 A SER 18 2 85.96 1 18 A GLY 19 2 80.50 1 19 # _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 ALA . 2 A 2 A 3 1 n TRP . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n GLY . 19 A 19 # _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 ? -7.161 -8.442 8.314 1.00 97.06 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.339 -7.211 7.525 1.00 97.10 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.155 -7.015 6.578 1.00 97.48 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.107 -6.514 6.987 1.00 95.98 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.446 -5.992 8.440 1.00 94.05 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.638 -6.062 9.383 1.00 86.25 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.252 -6.993 10.860 1.00 82.61 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.739 -6.706 11.811 1.00 72.42 1 A 1 ATOM 9 N N . ALA A 1 2 ? -6.327 -7.424 5.336 1.00 97.87 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -5.267 -7.290 4.333 1.00 98.25 2 A 1 ATOM 11 C C . ALA A 1 2 ? -5.255 -5.895 3.704 1.00 98.57 2 A 1 ATOM 12 O O . ALA A 1 2 ? -4.215 -5.427 3.237 1.00 98.26 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -5.448 -8.354 3.258 1.00 97.46 2 A 1 ATOM 14 N N . TRP A 1 3 ? -6.426 -5.250 3.709 1.00 98.53 3 A 1 ATOM 15 C CA . TRP A 1 3 ? -6.549 -3.916 3.119 1.00 98.59 3 A 1 ATOM 16 C C . TRP A 1 3 ? -5.642 -2.906 3.816 1.00 98.70 3 A 1 ATOM 17 O O . TRP A 1 3 ? -5.171 -1.954 3.189 1.00 98.55 3 A 1 ATOM 18 C CB . TRP A 1 3 ? -8.006 -3.459 3.177 1.00 98.39 3 A 1 ATOM 19 C CG . TRP A 1 3 ? -8.546 -3.359 4.563 1.00 97.36 3 A 1 ATOM 20 C CD1 . TRP A 1 3 ? -9.113 -4.352 5.284 1.00 95.23 3 A 1 ATOM 21 C CD2 . TRP A 1 3 ? -8.567 -2.183 5.395 1.00 96.16 3 A 1 ATOM 22 N NE1 . TRP A 1 3 ? -9.480 -3.875 6.520 1.00 94.45 3 A 1 ATOM 23 C CE2 . TRP A 1 3 ? -9.161 -2.545 6.616 1.00 95.73 3 A 1 ATOM 24 C CE3 . TRP A 1 3 ? -8.145 -0.863 5.212 1.00 95.23 3 A 1 ATOM 25 C CZ2 . TRP A 1 3 ? -9.336 -1.620 7.650 1.00 95.13 3 A 1 ATOM 26 C CZ3 . TRP A 1 3 ? -8.322 0.057 6.243 1.00 93.77 3 A 1 ATOM 27 C CH2 . TRP A 1 3 ? -8.910 -0.327 7.447 1.00 93.61 3 A 1 ATOM 28 N N . LEU A 1 4 ? -5.380 -3.116 5.096 1.00 98.67 4 A 1 ATOM 29 C CA . LEU A 1 4 ? -4.495 -2.227 5.854 1.00 98.66 4 A 1 ATOM 30 C C . LEU A 1 4 ? -3.082 -2.260 5.290 1.00 98.73 4 A 1 ATOM 31 O O . LEU A 1 4 ? -2.388 -1.243 5.254 1.00 98.60 4 A 1 ATOM 32 C CB . LEU A 1 4 ? -4.480 -2.646 7.326 1.00 98.48 4 A 1 ATOM 33 C CG . LEU A 1 4 ? -5.665 -2.114 8.128 1.00 96.08 4 A 1 ATOM 34 C CD1 . LEU A 1 4 ? -5.735 -2.799 9.483 1.00 92.72 4 A 1 ATOM 35 C CD2 . LEU A 1 4 ? -5.549 -0.607 8.314 1.00 93.32 4 A 1 ATOM 36 N N . VAL A 1 5 ? -2.666 -3.427 4.845 1.00 98.78 5 A 1 ATOM 37 C CA . VAL A 1 5 ? -1.337 -3.588 4.252 1.00 98.73 5 A 1 ATOM 38 C C . VAL A 1 5 ? -1.246 -2.768 2.967 1.00 98.75 5 A 1 ATOM 39 O O . VAL A 1 5 ? -0.240 -2.096 2.713 1.00 98.62 5 A 1 ATOM 40 C CB . VAL A 1 5 ? -1.044 -5.068 3.963 1.00 98.54 5 A 1 ATOM 41 C CG1 . VAL A 1 5 ? 0.345 -5.234 3.357 1.00 97.59 5 A 1 ATOM 42 C CG2 . VAL A 1 5 ? -1.157 -5.890 5.238 1.00 97.28 5 A 1 ATOM 43 N N . LEU A 1 6 ? -2.310 -2.829 2.182 1.00 98.60 6 A 1 ATOM 44 C CA . LEU A 1 6 ? -2.362 -2.082 0.927 1.00 98.56 6 A 1 ATOM 45 C C . LEU A 1 6 ? -2.323 -0.582 1.199 1.00 98.61 6 A 1 ATOM 46 O O . LEU A 1 6 ? -1.665 0.173 0.480 1.00 98.50 6 A 1 ATOM 47 C CB . LEU A 1 6 ? -3.634 -2.454 0.151 1.00 98.41 6 A 1 ATOM 48 C CG . LEU A 1 6 ? -3.493 -3.661 -0.775 1.00 95.57 6 A 1 ATOM 49 C CD1 . LEU A 1 6 ? -2.503 -3.358 -1.889 1.00 93.31 6 A 1 ATOM 50 C CD2 . LEU A 1 6 ? -3.065 -4.902 -0.013 1.00 94.09 6 A 1 ATOM 51 N N . LEU A 1 7 ? -3.025 -0.159 2.250 1.00 98.57 7 A 1 ATOM 52 C CA . LEU A 1 7 ? -3.053 1.251 2.638 1.00 98.45 7 A 1 ATOM 53 C C . LEU A 1 7 ? -1.653 1.731 3.015 1.00 98.54 7 A 1 ATOM 54 O O . LEU A 1 7 ? -1.221 2.807 2.595 1.00 98.41 7 A 1 ATOM 55 C CB . LEU A 1 7 ? -4.011 1.434 3.816 1.00 98.16 7 A 1 ATOM 56 C CG . LEU A 1 7 ? -4.239 2.891 4.208 1.00 94.95 7 A 1 ATOM 57 C CD1 . LEU A 1 7 ? -5.076 3.609 3.151 1.00 92.78 7 A 1 ATOM 58 C CD2 . LEU A 1 7 ? -4.926 2.964 5.560 1.00 93.20 7 A 1 ATOM 59 N N . GLY A 1 8 ? -0.959 0.928 3.801 1.00 98.38 8 A 1 ATOM 60 C CA . GLY A 1 8 ? 0.405 1.267 4.207 1.00 98.40 8 A 1 ATOM 61 C C . GLY A 1 8 ? 1.340 1.337 3.018 1.00 98.56 8 A 1 ATOM 62 O O . GLY A 1 8 ? 2.185 2.233 2.923 1.00 98.40 8 A 1 ATOM 63 N N . LEU A 1 9 ? 1.179 0.384 2.106 1.00 98.54 9 A 1 ATOM 64 C CA . LEU A 1 9 ? 1.995 0.343 0.892 1.00 98.45 9 A 1 ATOM 65 C C . LEU A 1 9 ? 1.753 1.586 0.043 1.00 98.51 9 A 1 ATOM 66 O O . LEU A 1 9 ? 2.695 2.177 -0.489 1.00 98.27 9 A 1 ATOM 67 C CB . LEU A 1 9 ? 1.657 -0.916 0.089 1.00 98.28 9 A 1 ATOM 68 C CG . LEU A 1 9 ? 2.601 -1.172 -1.084 1.00 95.14 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? 3.955 -1.658 -0.589 1.00 93.13 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? 1.993 -2.195 -2.028 1.00 93.51 9 A 1 ATOM 71 N N . LEU A 1 10 ? 0.496 1.978 -0.069 1.00 98.48 10 A 1 ATOM 72 C CA . LEU A 1 10 ? 0.126 3.165 -0.839 1.00 98.42 10 A 1 ATOM 73 C C . LEU A 1 10 ? 0.780 4.411 -0.253 1.00 98.46 10 A 1 ATOM 74 O O . LEU A 1 10 ? 1.325 5.241 -0.988 1.00 98.24 10 A 1 ATOM 75 C CB . LEU A 1 10 ? -1.393 3.320 -0.840 1.00 98.25 10 A 1 ATOM 76 C CG . LEU A 1 10 ? -1.904 4.465 -1.708 1.00 95.22 10 A 1 ATOM 77 C CD1 . LEU A 1 10 ? -1.719 4.136 -3.189 1.00 92.17 10 A 1 ATOM 78 C CD2 . LEU A 1 10 ? -3.366 4.735 -1.412 1.00 93.06 10 A 1 ATOM 79 N N . LEU A 1 11 ? 0.737 4.535 1.070 1.00 98.40 11 A 1 ATOM 80 C CA . LEU A 1 11 ? 1.346 5.675 1.752 1.00 98.28 11 A 1 ATOM 81 C C . LEU A 1 11 ? 2.855 5.682 1.551 1.00 98.33 11 A 1 ATOM 82 O O . LEU A 1 11 ? 3.462 6.744 1.386 1.00 98.00 11 A 1 ATOM 83 C CB . LEU A 1 11 ? 1.015 5.613 3.243 1.00 97.96 11 A 1 ATOM 84 C CG . LEU A 1 11 ? -0.421 6.022 3.563 1.00 94.95 11 A 1 ATOM 85 C CD1 . LEU A 1 11 ? -0.797 5.569 4.968 1.00 92.62 11 A 1 ATOM 86 C CD2 . LEU A 1 11 ? -0.582 7.533 3.443 1.00 92.34 11 A 1 ATOM 87 N N . CYS A 1 12 ? 3.447 4.501 1.558 1.00 98.13 12 A 1 ATOM 88 C CA . CYS A 1 12 ? 4.887 4.368 1.348 1.00 97.98 12 A 1 ATOM 89 C C . CYS A 1 12 ? 5.273 4.852 -0.044 1.00 98.02 12 A 1 ATOM 90 O O . CYS A 1 12 ? 6.266 5.557 -0.213 1.00 97.17 12 A 1 ATOM 91 C CB . CYS A 1 12 ? 5.307 2.909 1.535 1.00 97.52 12 A 1 ATOM 92 S SG . CYS A 1 12 ? 7.097 2.714 1.513 1.00 95.20 12 A 1 ATOM 93 N N . MET A 1 13 ? 4.475 4.467 -1.028 1.00 98.08 13 A 1 ATOM 94 C CA . MET A 1 13 ? 4.729 4.872 -2.415 1.00 97.92 13 A 1 ATOM 95 C C . MET A 1 13 ? 4.572 6.381 -2.588 1.00 98.11 13 A 1 ATOM 96 O O . MET A 1 13 ? 5.387 7.023 -3.255 1.00 97.30 13 A 1 ATOM 97 C CB . MET A 1 13 ? 3.776 4.142 -3.356 1.00 97.37 13 A 1 ATOM 98 C CG . MET A 1 13 ? 4.078 2.665 -3.447 1.00 94.50 13 A 1 ATOM 99 S SD . MET A 1 13 ? 2.994 1.806 -4.594 1.00 86.05 13 A 1 ATOM 100 C CE . MET A 1 13 ? 3.877 2.097 -6.116 1.00 76.59 13 A 1 ATOM 101 N N . LEU A 1 14 ? 3.525 6.931 -1.976 1.00 98.19 14 A 1 ATOM 102 C CA . LEU A 1 14 ? 3.270 8.367 -2.060 1.00 98.07 14 A 1 ATOM 103 C C . LEU A 1 14 ? 4.294 9.157 -1.261 1.00 98.21 14 A 1 ATOM 104 O O . LEU A 1 14 ? 4.692 10.254 -1.666 1.00 97.65 14 A 1 ATOM 105 C CB . LEU A 1 14 ? 1.863 8.665 -1.543 1.00 97.56 14 A 1 ATOM 106 C CG . LEU A 1 14 ? 0.755 8.217 -2.484 1.00 95.55 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? -0.574 8.173 -1.759 1.00 92.42 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? 0.671 9.154 -3.678 1.00 91.34 14 A 1 ATOM 109 N N . GLY A 1 15 ? 4.708 8.601 -0.132 1.00 97.61 15 A 1 ATOM 110 C CA . GLY A 1 15 ? 5.687 9.259 0.725 1.00 97.24 15 A 1 ATOM 111 C C . GLY A 1 15 ? 7.116 8.994 0.307 1.00 97.08 15 A 1 ATOM 112 O O . GLY A 1 15 ? 8.050 9.503 0.928 1.00 95.18 15 A 1 ATOM 113 N N . ALA A 1 16 ? 7.298 8.204 -0.737 1.00 96.66 16 A 1 ATOM 114 C CA . ALA A 1 16 ? 8.634 7.870 -1.222 1.00 95.99 16 A 1 ATOM 115 C C . ALA A 1 16 ? 9.260 9.075 -1.911 1.00 95.77 16 A 1 ATOM 116 O O . ALA A 1 16 ? 8.891 9.421 -3.031 1.00 92.84 16 A 1 ATOM 117 C CB . ALA A 1 16 ? 8.563 6.683 -2.177 1.00 94.29 16 A 1 ATOM 118 N N . GLY A 1 17 ? 10.210 9.714 -1.229 1.00 94.02 17 A 1 ATOM 119 C CA . GLY A 1 17 ? 10.897 10.869 -1.781 1.00 91.68 17 A 1 ATOM 120 C C . GLY A 1 17 ? 12.381 10.611 -1.939 1.00 90.64 17 A 1 ATOM 121 O O . GLY A 1 17 ? 12.992 9.924 -1.123 1.00 85.81 17 A 1 ATOM 122 N N . SER A 1 18 ? 12.947 11.162 -2.995 1.00 91.94 18 A 1 ATOM 123 C CA . SER A 1 18 ? 14.373 11.015 -3.281 1.00 90.26 18 A 1 ATOM 124 C C . SER A 1 18 ? 15.055 12.379 -3.251 1.00 89.50 18 A 1 ATOM 125 O O . SER A 1 18 ? 14.610 13.307 -3.921 1.00 82.65 18 A 1 ATOM 126 C CB . SER A 1 18 ? 14.573 10.363 -4.644 1.00 86.61 18 A 1 ATOM 127 O OG . SER A 1 18 ? 14.073 9.043 -4.633 1.00 74.79 18 A 1 ATOM 128 N N . GLY A 1 19 ? 16.136 12.484 -2.476 1.00 89.27 19 A 1 ATOM 129 C CA . GLY A 1 19 ? 16.846 13.750 -2.383 1.00 84.57 19 A 1 ATOM 130 C C . GLY A 1 19 ? 16.461 14.544 -1.157 1.00 81.08 19 A 1 ATOM 131 O O . GLY A 1 19 ? 15.517 14.174 -0.453 1.00 71.00 19 A 1 ATOM 132 O OXT . GLY A 1 19 ? 17.136 15.585 -0.896 1.00 76.56 19 A 1 #