# 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_spkb42773 # _entry.id spkb42773 # 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" "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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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" "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 LYS 2 1 n LYS 3 1 n TRP 4 1 n LEU 5 1 n PHE 6 1 n PRO 7 1 n PHE 8 1 n ALA 9 1 n PHE 10 1 n VAL 11 1 n ALA 12 1 n THR 13 1 n LEU 14 1 n ALA 15 1 n GLY 16 # _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 @ 2025-07-10 16:05:13)" _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 93.10 _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 87.13 1 1 A LYS 2 2 87.47 1 2 A LYS 3 2 88.87 1 3 A TRP 4 2 92.07 1 4 A LEU 5 2 94.88 1 5 A PHE 6 2 92.90 1 6 A PRO 7 2 96.36 1 7 A PHE 8 2 93.80 1 8 A ALA 9 2 97.17 1 9 A PHE 10 2 94.96 1 10 A VAL 11 2 96.57 1 11 A ALA 12 2 97.49 1 12 A THR 13 2 95.90 1 13 A LEU 14 2 94.20 1 14 A ALA 15 2 96.96 1 15 A GLY 16 2 87.94 1 16 # _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 LYS . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n GLY . 16 A 16 # _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 ? -9.106 -1.209 9.154 1.00 92.36 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.957 -0.329 8.856 1.00 93.32 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.070 0.252 7.449 1.00 93.76 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.011 -0.042 6.722 1.00 91.22 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.652 -1.119 8.980 1.00 89.25 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.404 -1.590 10.405 1.00 83.73 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.892 -2.547 10.563 1.00 80.80 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.883 -2.851 12.325 1.00 72.61 1 A 1 ATOM 9 N N . LYS A 1 2 ? -7.110 1.059 7.050 1.00 94.09 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -7.128 1.689 5.732 1.00 94.59 2 A 1 ATOM 11 C C . LYS A 1 2 ? -6.658 0.705 4.660 1.00 94.90 2 A 1 ATOM 12 O O . LYS A 1 2 ? -5.462 0.491 4.484 1.00 93.61 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -6.235 2.923 5.733 1.00 92.86 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -6.769 4.038 6.618 1.00 86.02 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -5.854 5.244 6.595 1.00 83.70 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -6.388 6.345 7.493 1.00 77.02 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -5.460 7.511 7.531 1.00 70.44 2 A 1 ATOM 18 N N . LYS A 1 3 ? -7.599 0.139 3.948 1.00 95.86 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -7.290 -0.812 2.883 1.00 96.14 3 A 1 ATOM 20 C C . LYS A 1 3 ? -7.343 -0.134 1.521 1.00 96.57 3 A 1 ATOM 21 O O . LYS A 1 3 ? -7.457 -0.795 0.492 1.00 95.67 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -8.272 -1.982 2.937 1.00 95.16 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -9.724 -1.539 2.918 1.00 88.68 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -10.637 -2.732 3.124 1.00 84.15 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -12.083 -2.300 3.210 1.00 77.33 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -12.973 -3.461 3.481 1.00 70.28 3 A 1 ATOM 27 N N . TRP A 1 4 ? -7.277 1.195 1.533 1.00 95.74 4 A 1 ATOM 28 C CA . TRP A 1 4 ? -7.342 1.979 0.300 1.00 96.14 4 A 1 ATOM 29 C C . TRP A 1 4 ? -5.938 2.342 -0.158 1.00 96.68 4 A 1 ATOM 30 O O . TRP A 1 4 ? -5.572 2.138 -1.311 1.00 95.49 4 A 1 ATOM 31 C CB . TRP A 1 4 ? -8.172 3.248 0.536 1.00 95.89 4 A 1 ATOM 32 C CG . TRP A 1 4 ? -9.242 3.430 -0.493 1.00 93.53 4 A 1 ATOM 33 C CD1 . TRP A 1 4 ? -10.572 3.209 -0.316 1.00 90.00 4 A 1 ATOM 34 C CD2 . TRP A 1 4 ? -9.097 3.868 -1.860 1.00 92.75 4 A 1 ATOM 35 N NE1 . TRP A 1 4 ? -11.253 3.480 -1.481 1.00 89.59 4 A 1 ATOM 36 C CE2 . TRP A 1 4 ? -10.370 3.886 -2.450 1.00 93.57 4 A 1 ATOM 37 C CE3 . TRP A 1 4 ? -8.005 4.253 -2.634 1.00 91.08 4 A 1 ATOM 38 C CZ2 . TRP A 1 4 ? -10.565 4.273 -3.775 1.00 90.39 4 A 1 ATOM 39 C CZ3 . TRP A 1 4 ? -8.204 4.638 -3.955 1.00 83.85 4 A 1 ATOM 40 C CH2 . TRP A 1 4 ? -9.472 4.645 -4.512 1.00 84.21 4 A 1 ATOM 41 N N . LEU A 1 5 ? -5.145 2.855 0.754 1.00 96.59 5 A 1 ATOM 42 C CA . LEU A 1 5 ? -3.773 3.244 0.448 1.00 96.86 5 A 1 ATOM 43 C C . LEU A 1 5 ? -2.831 2.048 0.522 1.00 97.17 5 A 1 ATOM 44 O O . LEU A 1 5 ? -1.673 2.136 0.113 1.00 96.60 5 A 1 ATOM 45 C CB . LEU A 1 5 ? -3.314 4.321 1.435 1.00 96.84 5 A 1 ATOM 46 C CG . LEU A 1 5 ? -4.075 5.636 1.326 1.00 94.09 5 A 1 ATOM 47 C CD1 . LEU A 1 5 ? -3.754 6.530 2.511 1.00 90.93 5 A 1 ATOM 48 C CD2 . LEU A 1 5 ? -3.721 6.351 0.031 1.00 89.96 5 A 1 ATOM 49 N N . PHE A 1 6 ? -3.331 0.954 1.034 1.00 96.68 6 A 1 ATOM 50 C CA . PHE A 1 6 ? -2.528 -0.261 1.166 1.00 96.58 6 A 1 ATOM 51 C C . PHE A 1 6 ? -1.878 -0.659 -0.158 1.00 97.04 6 A 1 ATOM 52 O O . PHE A 1 6 ? -0.657 -0.827 -0.226 1.00 96.31 6 A 1 ATOM 53 C CB . PHE A 1 6 ? -3.405 -1.399 1.686 1.00 95.98 6 A 1 ATOM 54 C CG . PHE A 1 6 ? -3.006 -1.855 3.064 1.00 93.51 6 A 1 ATOM 55 C CD1 . PHE A 1 6 ? -3.231 -1.050 4.168 1.00 89.77 6 A 1 ATOM 56 C CD2 . PHE A 1 6 ? -2.402 -3.090 3.239 1.00 89.75 6 A 1 ATOM 57 C CE1 . PHE A 1 6 ? -2.857 -1.466 5.436 1.00 88.52 6 A 1 ATOM 58 C CE2 . PHE A 1 6 ? -2.028 -3.512 4.507 1.00 89.02 6 A 1 ATOM 59 C CZ . PHE A 1 6 ? -2.258 -2.699 5.609 1.00 88.73 6 A 1 ATOM 60 N N . PRO A 1 7 ? -2.663 -0.825 -1.210 1.00 96.93 7 A 1 ATOM 61 C CA . PRO A 1 7 ? -2.111 -1.206 -2.517 1.00 96.93 7 A 1 ATOM 62 C C . PRO A 1 7 ? -1.233 -0.117 -3.117 1.00 97.39 7 A 1 ATOM 63 O O . PRO A 1 7 ? -0.243 -0.409 -3.792 1.00 96.74 7 A 1 ATOM 64 C CB . PRO A 1 7 ? -3.361 -1.439 -3.367 1.00 95.69 7 A 1 ATOM 65 C CG . PRO A 1 7 ? -4.423 -0.636 -2.710 1.00 94.55 7 A 1 ATOM 66 C CD . PRO A 1 7 ? -4.109 -0.652 -1.243 1.00 96.29 7 A 1 ATOM 67 N N . PHE A 1 8 ? -1.601 1.127 -2.858 1.00 96.85 8 A 1 ATOM 68 C CA . PHE A 1 8 ? -0.848 2.257 -3.393 1.00 96.82 8 A 1 ATOM 69 C C . PHE A 1 8 ? 0.518 2.355 -2.723 1.00 97.24 8 A 1 ATOM 70 O O . PHE A 1 8 ? 1.538 2.532 -3.390 1.00 96.45 8 A 1 ATOM 71 C CB . PHE A 1 8 ? -1.639 3.546 -3.169 1.00 96.28 8 A 1 ATOM 72 C CG . PHE A 1 8 ? -1.531 4.493 -4.335 1.00 94.64 8 A 1 ATOM 73 C CD1 . PHE A 1 8 ? -0.322 5.082 -4.651 1.00 90.43 8 A 1 ATOM 74 C CD2 . PHE A 1 8 ? -2.644 4.781 -5.113 1.00 91.10 8 A 1 ATOM 75 C CE1 . PHE A 1 8 ? -0.212 5.948 -5.732 1.00 90.16 8 A 1 ATOM 76 C CE2 . PHE A 1 8 ? -2.546 5.650 -6.191 1.00 90.70 8 A 1 ATOM 77 C CZ . PHE A 1 8 ? -1.326 6.234 -6.502 1.00 91.08 8 A 1 ATOM 78 N N . ALA A 1 9 ? 0.529 2.231 -1.410 1.00 96.84 9 A 1 ATOM 79 C CA . ALA A 1 9 ? 1.773 2.302 -0.650 1.00 97.21 9 A 1 ATOM 80 C C . ALA A 1 9 ? 2.667 1.105 -0.953 1.00 97.69 9 A 1 ATOM 81 O O . ALA A 1 9 ? 3.889 1.218 -0.974 1.00 97.26 9 A 1 ATOM 82 C CB . ALA A 1 9 ? 1.465 2.357 0.841 1.00 96.84 9 A 1 ATOM 83 N N . PHE A 1 10 ? 2.048 -0.033 -1.180 1.00 96.87 10 A 1 ATOM 84 C CA . PHE A 1 10 ? 2.789 -1.254 -1.481 1.00 96.83 10 A 1 ATOM 85 C C . PHE A 1 10 ? 3.543 -1.117 -2.799 1.00 97.47 10 A 1 ATOM 86 O O . PHE A 1 10 ? 4.710 -1.493 -2.904 1.00 97.16 10 A 1 ATOM 87 C CB . PHE A 1 10 ? 1.819 -2.427 -1.565 1.00 96.52 10 A 1 ATOM 88 C CG . PHE A 1 10 ? 2.522 -3.735 -1.789 1.00 95.29 10 A 1 ATOM 89 C CD1 . PHE A 1 10 ? 3.235 -4.333 -0.765 1.00 93.23 10 A 1 ATOM 90 C CD2 . PHE A 1 10 ? 2.470 -4.356 -3.026 1.00 93.34 10 A 1 ATOM 91 C CE1 . PHE A 1 10 ? 3.890 -5.538 -0.969 1.00 92.25 10 A 1 ATOM 92 C CE2 . PHE A 1 10 ? 3.124 -5.561 -3.241 1.00 92.57 10 A 1 ATOM 93 C CZ . PHE A 1 10 ? 3.832 -6.150 -2.208 1.00 92.98 10 A 1 ATOM 94 N N . VAL A 1 11 ? 2.875 -0.594 -3.802 1.00 97.53 11 A 1 ATOM 95 C CA . VAL A 1 11 ? 3.488 -0.411 -5.116 1.00 97.40 11 A 1 ATOM 96 C C . VAL A 1 11 ? 4.650 0.571 -5.034 1.00 97.65 11 A 1 ATOM 97 O O . VAL A 1 11 ? 5.689 0.376 -5.674 1.00 97.35 11 A 1 ATOM 98 C CB . VAL A 1 11 ? 2.457 0.096 -6.137 1.00 96.83 11 A 1 ATOM 99 C CG1 . VAL A 1 11 ? 3.122 0.384 -7.472 1.00 94.57 11 A 1 ATOM 100 C CG2 . VAL A 1 11 ? 1.354 -0.930 -6.315 1.00 94.69 11 A 1 ATOM 101 N N . ALA A 1 12 ? 4.464 1.616 -4.254 1.00 97.66 12 A 1 ATOM 102 C CA . ALA A 1 12 ? 5.499 2.635 -4.090 1.00 97.60 12 A 1 ATOM 103 C C . ALA A 1 12 ? 6.734 2.047 -3.416 1.00 97.92 12 A 1 ATOM 104 O O . ALA A 1 12 ? 7.864 2.370 -3.776 1.00 97.25 12 A 1 ATOM 105 C CB . ALA A 1 12 ? 4.959 3.797 -3.268 1.00 97.01 12 A 1 ATOM 106 N N . THR A 1 13 ? 6.513 1.191 -2.448 1.00 97.67 13 A 1 ATOM 107 C CA . THR A 1 13 ? 7.615 0.556 -1.720 1.00 97.58 13 A 1 ATOM 108 C C . THR A 1 13 ? 8.348 -0.432 -2.615 1.00 97.75 13 A 1 ATOM 109 O O . THR A 1 13 ? 9.570 -0.576 -2.535 1.00 96.75 13 A 1 ATOM 110 C CB . THR A 1 13 ? 7.083 -0.181 -0.488 1.00 96.98 13 A 1 ATOM 111 O OG1 . THR A 1 13 ? 6.344 0.725 0.328 1.00 93.35 13 A 1 ATOM 112 C CG2 . THR A 1 13 ? 8.227 -0.754 0.326 1.00 91.23 13 A 1 ATOM 113 N N . LEU A 1 14 ? 7.603 -1.117 -3.456 1.00 97.40 14 A 1 ATOM 114 C CA . LEU A 1 14 ? 8.188 -2.093 -4.371 1.00 96.89 14 A 1 ATOM 115 C C . LEU A 1 14 ? 9.171 -1.418 -5.314 1.00 97.16 14 A 1 ATOM 116 O O . LEU A 1 14 ? 10.222 -1.977 -5.637 1.00 96.70 14 A 1 ATOM 117 C CB . LEU A 1 14 ? 7.080 -2.771 -5.183 1.00 96.18 14 A 1 ATOM 118 C CG . LEU A 1 14 ? 7.585 -3.896 -6.086 1.00 92.64 14 A 1 ATOM 119 C CD1 . LEU A 1 14 ? 8.024 -5.083 -5.246 1.00 88.18 14 A 1 ATOM 120 C CD2 . LEU A 1 14 ? 6.485 -4.320 -7.056 1.00 88.48 14 A 1 ATOM 121 N N . ALA A 1 15 ? 8.827 -0.223 -5.765 1.00 97.44 15 A 1 ATOM 122 C CA . ALA A 1 15 ? 9.684 0.535 -6.678 1.00 97.21 15 A 1 ATOM 123 C C . ALA A 1 15 ? 11.017 0.867 -6.019 1.00 97.45 15 A 1 ATOM 124 O O . ALA A 1 15 ? 12.061 0.865 -6.677 1.00 96.45 15 A 1 ATOM 125 C CB . ALA A 1 15 ? 8.976 1.809 -7.118 1.00 96.24 15 A 1 ATOM 126 N N . GLY A 1 16 ? 10.975 1.116 -4.714 1.00 93.53 16 A 1 ATOM 127 C CA . GLY A 1 16 ? 12.196 1.445 -3.969 1.00 90.66 16 A 1 ATOM 128 C C . GLY A 1 16 ? 12.671 2.851 -4.285 1.00 87.92 16 A 1 ATOM 129 O O . GLY A 1 16 ? 13.633 2.997 -5.034 1.00 81.05 16 A 1 ATOM 130 O OXT . GLY A 1 16 ? 12.082 3.799 -3.729 1.00 86.53 16 A 1 #