# 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_spkb44881 # _entry.id spkb44881 # 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 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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "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 ILE 2 1 n MET 3 1 n LYS 4 1 n TYR 5 1 n PHE 6 1 n CYS 7 1 n THR 8 1 n VAL 9 1 n MET 10 1 n ILE 11 1 n ALA 12 1 n ILE 13 1 n ALA 14 1 n LEU 15 1 n VAL 16 1 n GLY 17 # _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 @ 2025-07-07 20:57:35)" _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 96.30 _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 93.00 1 1 A ILE 2 2 96.52 1 2 A MET 3 2 94.01 1 3 A LYS 4 2 94.43 1 4 A TYR 5 2 96.59 1 5 A PHE 6 2 96.49 1 6 A CYS 7 2 98.05 1 7 A THR 8 2 97.09 1 8 A VAL 9 2 98.17 1 9 A MET 10 2 94.94 1 10 A ILE 11 2 97.19 1 11 A ALA 12 2 98.61 1 12 A ILE 13 2 97.44 1 13 A ALA 14 2 98.72 1 14 A LEU 15 2 96.94 1 15 A VAL 16 2 97.19 1 16 A GLY 17 2 93.33 1 17 # _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 ILE . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n CYS . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n MET . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ILE . 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 GLY . 17 A 17 # _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 ? -8.838 -0.230 8.990 1.00 97.67 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.405 -0.583 9.057 1.00 97.83 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.838 -0.941 7.684 1.00 98.06 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.662 -0.696 7.427 1.00 97.09 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.186 -1.746 10.034 1.00 96.29 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.923 -1.235 11.442 1.00 89.26 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.575 -2.555 12.600 1.00 87.08 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.002 -1.619 14.007 1.00 80.71 1 A 1 ATOM 9 N N . ILE A 1 2 ? -7.672 -1.482 6.806 1.00 98.31 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -7.225 -1.850 5.455 1.00 98.34 2 A 1 ATOM 11 C C . ILE A 1 2 ? -6.714 -0.625 4.696 1.00 98.47 2 A 1 ATOM 12 O O . ILE A 1 2 ? -5.693 -0.691 4.003 1.00 98.23 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -8.372 -2.541 4.700 1.00 97.98 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -8.715 -3.873 5.386 1.00 95.46 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -7.986 -2.786 3.235 1.00 94.81 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -10.000 -4.500 4.859 1.00 90.56 2 A 1 ATOM 17 N N . MET A 1 3 ? -7.389 0.512 4.842 1.00 98.47 3 A 1 ATOM 18 C CA . MET A 1 3 ? -6.947 1.761 4.205 1.00 98.50 3 A 1 ATOM 19 C C . MET A 1 3 ? -5.547 2.164 4.671 1.00 98.54 3 A 1 ATOM 20 O O . MET A 1 3 ? -4.756 2.686 3.887 1.00 98.10 3 A 1 ATOM 21 C CB . MET A 1 3 ? -7.936 2.888 4.516 1.00 98.15 3 A 1 ATOM 22 C CG . MET A 1 3 ? -9.181 2.811 3.644 1.00 94.40 3 A 1 ATOM 23 S SD . MET A 1 3 ? -10.233 4.254 3.856 1.00 87.53 3 A 1 ATOM 24 C CE . MET A 1 3 ? -11.441 3.949 2.577 1.00 78.36 3 A 1 ATOM 25 N N . LYS A 1 4 ? -5.246 1.909 5.925 1.00 98.58 4 A 1 ATOM 26 C CA . LYS A 1 4 ? -3.923 2.206 6.483 1.00 98.61 4 A 1 ATOM 27 C C . LYS A 1 4 ? -2.846 1.396 5.758 1.00 98.69 4 A 1 ATOM 28 O O . LYS A 1 4 ? -1.777 1.921 5.446 1.00 98.53 4 A 1 ATOM 29 C CB . LYS A 1 4 ? -3.934 1.900 7.984 1.00 98.37 4 A 1 ATOM 30 C CG . LYS A 1 4 ? -2.595 2.136 8.689 1.00 95.10 4 A 1 ATOM 31 C CD . LYS A 1 4 ? -2.198 3.597 8.718 1.00 92.71 4 A 1 ATOM 32 C CE . LYS A 1 4 ? -1.214 3.891 9.850 1.00 87.86 4 A 1 ATOM 33 N NZ . LYS A 1 4 ? 0.186 3.931 9.395 1.00 81.38 4 A 1 ATOM 34 N N . TYR A 1 5 ? -3.142 0.126 5.467 1.00 98.49 5 A 1 ATOM 35 C CA . TYR A 1 5 ? -2.210 -0.750 4.756 1.00 98.57 5 A 1 ATOM 36 C C . TYR A 1 5 ? -1.991 -0.244 3.330 1.00 98.59 5 A 1 ATOM 37 O O . TYR A 1 5 ? -0.849 -0.134 2.882 1.00 98.41 5 A 1 ATOM 38 C CB . TYR A 1 5 ? -2.754 -2.182 4.734 1.00 98.54 5 A 1 ATOM 39 C CG . TYR A 1 5 ? -2.516 -2.964 6.017 1.00 97.05 5 A 1 ATOM 40 C CD1 . TYR A 1 5 ? -2.445 -2.331 7.262 1.00 94.86 5 A 1 ATOM 41 C CD2 . TYR A 1 5 ? -2.362 -4.352 5.959 1.00 95.82 5 A 1 ATOM 42 C CE1 . TYR A 1 5 ? -2.223 -3.056 8.427 1.00 94.73 5 A 1 ATOM 43 C CE2 . TYR A 1 5 ? -2.144 -5.093 7.125 1.00 95.21 5 A 1 ATOM 44 C CZ . TYR A 1 5 ? -2.074 -4.437 8.352 1.00 95.43 5 A 1 ATOM 45 O OH . TYR A 1 5 ? -1.850 -5.158 9.497 1.00 93.42 5 A 1 ATOM 46 N N . PHE A 1 6 ? -3.077 0.115 2.631 1.00 98.56 6 A 1 ATOM 47 C CA . PHE A 1 6 ? -2.986 0.647 1.276 1.00 98.53 6 A 1 ATOM 48 C C . PHE A 1 6 ? -2.196 1.953 1.248 1.00 98.57 6 A 1 ATOM 49 O O . PHE A 1 6 ? -1.342 2.146 0.382 1.00 98.31 6 A 1 ATOM 50 C CB . PHE A 1 6 ? -4.388 0.863 0.714 1.00 98.37 6 A 1 ATOM 51 C CG . PHE A 1 6 ? -4.735 -0.147 -0.349 1.00 97.20 6 A 1 ATOM 52 C CD1 . PHE A 1 6 ? -4.340 0.064 -1.667 1.00 94.95 6 A 1 ATOM 53 C CD2 . PHE A 1 6 ? -5.438 -1.305 -0.020 1.00 95.18 6 A 1 ATOM 54 C CE1 . PHE A 1 6 ? -4.648 -0.865 -2.651 1.00 94.00 6 A 1 ATOM 55 C CE2 . PHE A 1 6 ? -5.749 -2.242 -1.001 1.00 94.07 6 A 1 ATOM 56 C CZ . PHE A 1 6 ? -5.353 -2.021 -2.319 1.00 93.67 6 A 1 ATOM 57 N N . CYS A 1 7 ? -2.449 2.830 2.204 1.00 98.58 7 A 1 ATOM 58 C CA . CYS A 1 7 ? -1.745 4.105 2.297 1.00 98.64 7 A 1 ATOM 59 C C . CYS A 1 7 ? -0.248 3.883 2.547 1.00 98.72 7 A 1 ATOM 60 O O . CYS A 1 7 ? 0.593 4.521 1.925 1.00 98.60 7 A 1 ATOM 61 C CB . CYS A 1 7 ? -2.373 4.940 3.413 1.00 98.48 7 A 1 ATOM 62 S SG . CYS A 1 7 ? -1.966 6.684 3.211 1.00 95.25 7 A 1 ATOM 63 N N . THR A 1 8 ? 0.079 2.951 3.417 1.00 98.51 8 A 1 ATOM 64 C CA . THR A 1 8 ? 1.477 2.631 3.728 1.00 98.56 8 A 1 ATOM 65 C C . THR A 1 8 ? 2.193 2.074 2.499 1.00 98.66 8 A 1 ATOM 66 O O . THR A 1 8 ? 3.331 2.454 2.219 1.00 98.48 8 A 1 ATOM 67 C CB . THR A 1 8 ? 1.552 1.618 4.875 1.00 98.30 8 A 1 ATOM 68 O OG1 . THR A 1 8 ? 0.855 2.120 6.005 1.00 94.05 8 A 1 ATOM 69 C CG2 . THR A 1 8 ? 2.990 1.366 5.304 1.00 93.08 8 A 1 ATOM 70 N N . VAL A 1 9 ? 1.526 1.196 1.752 1.00 98.66 9 A 1 ATOM 71 C CA . VAL A 1 9 ? 2.104 0.619 0.534 1.00 98.63 9 A 1 ATOM 72 C C . VAL A 1 9 ? 2.318 1.707 -0.519 1.00 98.72 9 A 1 ATOM 73 O O . VAL A 1 9 ? 3.376 1.757 -1.147 1.00 98.60 9 A 1 ATOM 74 C CB . VAL A 1 9 ? 1.213 -0.510 -0.005 1.00 98.34 9 A 1 ATOM 75 C CG1 . VAL A 1 9 ? 1.691 -1.001 -1.366 1.00 97.17 9 A 1 ATOM 76 C CG2 . VAL A 1 9 ? 1.217 -1.689 0.961 1.00 97.08 9 A 1 ATOM 77 N N . MET A 1 10 ? 1.343 2.590 -0.705 1.00 98.55 10 A 1 ATOM 78 C CA . MET A 1 10 ? 1.477 3.694 -1.660 1.00 98.55 10 A 1 ATOM 79 C C . MET A 1 10 ? 2.642 4.613 -1.293 1.00 98.68 10 A 1 ATOM 80 O O . MET A 1 10 ? 3.415 5.005 -2.164 1.00 98.56 10 A 1 ATOM 81 C CB . MET A 1 10 ? 0.188 4.510 -1.717 1.00 98.27 10 A 1 ATOM 82 C CG . MET A 1 10 ? -0.880 3.836 -2.560 1.00 95.49 10 A 1 ATOM 83 S SD . MET A 1 10 ? -2.142 4.996 -3.089 1.00 89.62 10 A 1 ATOM 84 C CE . MET A 1 10 ? -3.397 3.848 -3.660 1.00 81.80 10 A 1 ATOM 85 N N . ILE A 1 11 ? 2.775 4.932 -0.024 1.00 98.62 11 A 1 ATOM 86 C CA . ILE A 1 11 ? 3.871 5.780 0.449 1.00 98.57 11 A 1 ATOM 87 C C . ILE A 1 11 ? 5.212 5.083 0.221 1.00 98.67 11 A 1 ATOM 88 O O . ILE A 1 11 ? 6.174 5.715 -0.219 1.00 98.55 11 A 1 ATOM 89 C CB . ILE A 1 11 ? 3.679 6.131 1.933 1.00 98.33 11 A 1 ATOM 90 C CG1 . ILE A 1 11 ? 2.449 7.036 2.112 1.00 96.56 11 A 1 ATOM 91 C CG2 . ILE A 1 11 ? 4.921 6.838 2.489 1.00 96.13 11 A 1 ATOM 92 C CD1 . ILE A 1 11 ? 1.959 7.106 3.549 1.00 92.08 11 A 1 ATOM 93 N N . ALA A 1 12 ? 5.270 3.786 0.495 1.00 98.69 12 A 1 ATOM 94 C CA . ALA A 1 12 ? 6.496 3.017 0.288 1.00 98.67 12 A 1 ATOM 95 C C . ALA A 1 12 ? 6.902 3.015 -1.189 1.00 98.75 12 A 1 ATOM 96 O O . ALA A 1 12 ? 8.075 3.203 -1.507 1.00 98.53 12 A 1 ATOM 97 C CB . ALA A 1 12 ? 6.294 1.592 0.800 1.00 98.43 12 A 1 ATOM 98 N N . ILE A 1 13 ? 5.937 2.834 -2.094 1.00 98.69 13 A 1 ATOM 99 C CA . ILE A 1 13 ? 6.197 2.855 -3.536 1.00 98.62 13 A 1 ATOM 100 C C . ILE A 1 13 ? 6.651 4.249 -3.970 1.00 98.69 13 A 1 ATOM 101 O O . ILE A 1 13 ? 7.607 4.380 -4.739 1.00 98.50 13 A 1 ATOM 102 C CB . ILE A 1 13 ? 4.943 2.414 -4.316 1.00 98.34 13 A 1 ATOM 103 C CG1 . ILE A 1 13 ? 4.624 0.937 -4.027 1.00 96.85 13 A 1 ATOM 104 C CG2 . ILE A 1 13 ? 5.156 2.604 -5.826 1.00 96.46 13 A 1 ATOM 105 C CD1 . ILE A 1 13 ? 3.215 0.541 -4.447 1.00 93.40 13 A 1 ATOM 106 N N . ALA A 1 14 ? 5.997 5.277 -3.479 1.00 98.82 14 A 1 ATOM 107 C CA . ALA A 1 14 ? 6.352 6.658 -3.807 1.00 98.79 14 A 1 ATOM 108 C C . ALA A 1 14 ? 7.732 7.032 -3.263 1.00 98.82 14 A 1 ATOM 109 O O . ALA A 1 14 ? 8.431 7.851 -3.861 1.00 98.54 14 A 1 ATOM 110 C CB . ALA A 1 14 ? 5.286 7.596 -3.247 1.00 98.61 14 A 1 ATOM 111 N N . LEU A 1 15 ? 8.123 6.440 -2.149 1.00 98.73 15 A 1 ATOM 112 C CA . LEU A 1 15 ? 9.423 6.713 -1.535 1.00 98.67 15 A 1 ATOM 113 C C . LEU A 1 15 ? 10.547 6.005 -2.283 1.00 98.69 15 A 1 ATOM 114 O O . LEU A 1 15 ? 11.653 6.539 -2.407 1.00 98.23 15 A 1 ATOM 115 C CB . LEU A 1 15 ? 9.377 6.286 -0.061 1.00 98.43 15 A 1 ATOM 116 C CG . LEU A 1 15 ? 10.422 7.000 0.799 1.00 96.56 15 A 1 ATOM 117 C CD1 . LEU A 1 15 ? 9.773 7.566 2.059 1.00 93.15 15 A 1 ATOM 118 C CD2 . LEU A 1 15 ? 11.542 6.053 1.196 1.00 93.06 15 A 1 ATOM 119 N N . VAL A 1 16 ? 10.275 4.803 -2.784 1.00 98.59 16 A 1 ATOM 120 C CA . VAL A 1 16 ? 11.265 4.019 -3.526 1.00 98.46 16 A 1 ATOM 121 C C . VAL A 1 16 ? 11.364 4.492 -4.974 1.00 98.51 16 A 1 ATOM 122 O O . VAL A 1 16 ? 12.474 4.581 -5.519 1.00 97.64 16 A 1 ATOM 123 C CB . VAL A 1 16 ? 10.920 2.518 -3.463 1.00 97.65 16 A 1 ATOM 124 C CG1 . VAL A 1 16 ? 11.853 1.695 -4.344 1.00 94.61 16 A 1 ATOM 125 C CG2 . VAL A 1 16 ? 11.025 2.003 -2.034 1.00 94.84 16 A 1 ATOM 126 N N . GLY A 1 17 ? 10.239 4.766 -5.596 1.00 96.82 17 A 1 ATOM 127 C CA . GLY A 1 17 ? 10.172 5.213 -6.994 1.00 95.43 17 A 1 ATOM 128 C C . GLY A 1 17 ? 10.174 6.715 -7.106 1.00 93.41 17 A 1 ATOM 129 O O . GLY A 1 17 ? 11.079 7.271 -7.759 1.00 87.77 17 A 1 ATOM 130 O OXT . GLY A 1 17 ? 9.236 7.317 -6.575 1.00 93.23 17 A 1 #