# 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_spkb21427 # _entry.id spkb21427 # 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 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" "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" "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" "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 MET 2 1 n VAL 3 1 n PRO 4 1 n LEU 5 1 n LEU 6 1 n LEU 7 1 n SER 8 1 n THR 9 1 n TYR 10 1 n PHE 11 1 n ILE 12 1 n THR 13 1 n ALA 14 1 n VAL 15 1 n TYR 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 @ 2025-07-02 22:21:21)" _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 92.32 _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 82.65 1 1 A MET 2 2 84.72 1 2 A VAL 3 2 88.23 1 3 A PRO 4 2 92.04 1 4 A LEU 5 2 90.33 1 5 A LEU 6 2 92.42 1 6 A LEU 7 2 92.87 1 7 A SER 8 2 94.65 1 8 A THR 9 2 94.96 1 9 A TYR 10 2 93.92 1 10 A PHE 11 2 93.14 1 11 A ILE 12 2 95.54 1 12 A THR 13 2 95.69 1 13 A ALA 14 2 97.80 1 14 A VAL 15 2 96.97 1 15 A TYR 16 2 94.00 1 16 A GLY 17 2 90.07 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 MET . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n TYR . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n TYR . 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 ? -3.262 -0.442 14.879 1.00 88.90 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.921 0.713 14.030 1.00 89.33 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.629 0.268 12.593 1.00 89.90 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.604 0.614 12.014 1.00 87.34 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.703 1.446 14.603 1.00 84.56 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.965 2.003 15.986 1.00 78.34 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.528 2.823 16.681 1.00 75.12 1 A 1 ATOM 8 C CE . MET A 1 1 ? -1.203 3.361 18.243 1.00 67.74 1 A 1 ATOM 9 N N . MET A 1 2 ? -3.539 -0.510 12.025 1.00 88.04 2 A 1 ATOM 10 C CA . MET A 1 2 ? -3.369 -1.044 10.671 1.00 90.95 2 A 1 ATOM 11 C C . MET A 1 2 ? -4.016 -0.149 9.611 1.00 92.42 2 A 1 ATOM 12 O O . MET A 1 2 ? -3.881 -0.410 8.420 1.00 91.16 2 A 1 ATOM 13 C CB . MET A 1 2 ? -3.962 -2.452 10.593 1.00 85.84 2 A 1 ATOM 14 C CG . MET A 1 2 ? -3.245 -3.451 11.480 1.00 81.29 2 A 1 ATOM 15 S SD . MET A 1 2 ? -3.995 -5.087 11.390 1.00 77.92 2 A 1 ATOM 16 C CE . MET A 1 2 ? -2.848 -6.016 12.401 1.00 70.12 2 A 1 ATOM 17 N N . VAL A 1 3 ? -4.700 0.882 10.040 1.00 88.15 3 A 1 ATOM 18 C CA . VAL A 1 3 ? -5.385 1.800 9.126 1.00 91.40 3 A 1 ATOM 19 C C . VAL A 1 3 ? -4.425 2.421 8.100 1.00 93.86 3 A 1 ATOM 20 O O . VAL A 1 3 ? -4.699 2.368 6.896 1.00 93.57 3 A 1 ATOM 21 C CB . VAL A 1 3 ? -6.133 2.888 9.914 1.00 87.86 3 A 1 ATOM 22 C CG1 . VAL A 1 3 ? -6.835 3.846 8.964 1.00 80.36 3 A 1 ATOM 23 C CG2 . VAL A 1 3 ? -7.140 2.257 10.862 1.00 82.38 3 A 1 ATOM 24 N N . PRO A 1 4 ? -3.296 2.987 8.541 1.00 92.24 4 A 1 ATOM 25 C CA . PRO A 1 4 ? -2.343 3.575 7.588 1.00 94.03 4 A 1 ATOM 26 C C . PRO A 1 4 ? -1.686 2.524 6.701 1.00 95.35 4 A 1 ATOM 27 O O . PRO A 1 4 ? -1.358 2.800 5.543 1.00 93.62 4 A 1 ATOM 28 C CB . PRO A 1 4 ? -1.314 4.277 8.484 1.00 90.87 4 A 1 ATOM 29 C CG . PRO A 1 4 ? -1.406 3.567 9.793 1.00 87.59 4 A 1 ATOM 30 C CD . PRO A 1 4 ? -2.850 3.165 9.925 1.00 90.61 4 A 1 ATOM 31 N N . LEU A 1 5 ? -1.500 1.312 7.221 1.00 93.34 5 A 1 ATOM 32 C CA . LEU A 1 5 ? -0.894 0.222 6.458 1.00 93.87 5 A 1 ATOM 33 C C . LEU A 1 5 ? -1.802 -0.217 5.316 1.00 95.21 5 A 1 ATOM 34 O O . LEU A 1 5 ? -1.322 -0.513 4.220 1.00 94.47 5 A 1 ATOM 35 C CB . LEU A 1 5 ? -0.596 -0.965 7.378 1.00 92.33 5 A 1 ATOM 36 C CG . LEU A 1 5 ? 0.549 -0.723 8.358 1.00 86.79 5 A 1 ATOM 37 C CD1 . LEU A 1 5 ? 0.660 -1.889 9.329 1.00 84.05 5 A 1 ATOM 38 C CD2 . LEU A 1 5 ? 1.862 -0.550 7.608 1.00 82.61 5 A 1 ATOM 39 N N . LEU A 1 6 ? -3.103 -0.256 5.560 1.00 95.02 6 A 1 ATOM 40 C CA . LEU A 1 6 ? -4.072 -0.641 4.537 1.00 95.46 6 A 1 ATOM 41 C C . LEU A 1 6 ? -4.061 0.349 3.376 1.00 96.28 6 A 1 ATOM 42 O O . LEU A 1 6 ? -4.089 -0.048 2.210 1.00 95.78 6 A 1 ATOM 43 C CB . LEU A 1 6 ? -5.469 -0.720 5.154 1.00 94.60 6 A 1 ATOM 44 C CG . LEU A 1 6 ? -5.674 -1.931 6.062 1.00 89.58 6 A 1 ATOM 45 C CD1 . LEU A 1 6 ? -6.994 -1.802 6.811 1.00 86.83 6 A 1 ATOM 46 C CD2 . LEU A 1 6 ? -5.672 -3.216 5.245 1.00 85.79 6 A 1 ATOM 47 N N . LEU A 1 7 ? -3.992 1.614 3.695 1.00 95.72 7 A 1 ATOM 48 C CA . LEU A 1 7 ? -3.966 2.659 2.675 1.00 95.56 7 A 1 ATOM 49 C C . LEU A 1 7 ? -2.683 2.577 1.850 1.00 96.23 7 A 1 ATOM 50 O O . LEU A 1 7 ? -2.706 2.703 0.625 1.00 96.18 7 A 1 ATOM 51 C CB . LEU A 1 7 ? -4.112 4.023 3.352 1.00 94.76 7 A 1 ATOM 52 C CG . LEU A 1 7 ? -4.492 5.140 2.386 1.00 89.52 7 A 1 ATOM 53 C CD1 . LEU A 1 7 ? -5.282 6.215 3.128 1.00 87.58 7 A 1 ATOM 54 C CD2 . LEU A 1 7 ? -3.257 5.768 1.764 1.00 87.40 7 A 1 ATOM 55 N N . SER A 1 8 ? -1.556 2.329 2.515 1.00 96.06 8 A 1 ATOM 56 C CA . SER A 1 8 ? -0.264 2.195 1.842 1.00 96.30 8 A 1 ATOM 57 C C . SER A 1 8 ? -0.240 0.959 0.950 1.00 97.04 8 A 1 ATOM 58 O O . SER A 1 8 ? 0.254 1.001 -0.177 1.00 96.23 8 A 1 ATOM 59 C CB . SER A 1 8 ? 0.861 2.114 2.870 1.00 95.03 8 A 1 ATOM 60 O OG . SER A 1 8 ? 2.107 2.028 2.222 1.00 87.25 8 A 1 ATOM 61 N N . THR A 1 9 ? -0.785 -0.147 1.451 1.00 96.63 9 A 1 ATOM 62 C CA . THR A 1 9 ? -0.838 -1.401 0.698 1.00 96.75 9 A 1 ATOM 63 C C . THR A 1 9 ? -1.688 -1.236 -0.559 1.00 97.19 9 A 1 ATOM 64 O O . THR A 1 9 ? -1.339 -1.752 -1.622 1.00 96.48 9 A 1 ATOM 65 C CB . THR A 1 9 ? -1.418 -2.525 1.565 1.00 95.97 9 A 1 ATOM 66 O OG1 . THR A 1 9 ? -0.615 -2.692 2.727 1.00 91.58 9 A 1 ATOM 67 C CG2 . THR A 1 9 ? -1.441 -3.846 0.809 1.00 90.09 9 A 1 ATOM 68 N N . TYR A 1 10 ? -2.785 -0.514 -0.447 1.00 97.11 10 A 1 ATOM 69 C CA . TYR A 1 10 ? -3.666 -0.269 -1.583 1.00 96.98 10 A 1 ATOM 70 C C . TYR A 1 10 ? -2.928 0.487 -2.687 1.00 97.15 10 A 1 ATOM 71 O O . TYR A 1 10 ? -3.100 0.194 -3.874 1.00 96.55 10 A 1 ATOM 72 C CB . TYR A 1 10 ? -4.888 0.523 -1.124 1.00 96.66 10 A 1 ATOM 73 C CG . TYR A 1 10 ? -5.910 0.677 -2.224 1.00 94.81 10 A 1 ATOM 74 C CD1 . TYR A 1 10 ? -5.892 1.791 -3.060 1.00 91.18 10 A 1 ATOM 75 C CD2 . TYR A 1 10 ? -6.878 -0.304 -2.427 1.00 92.26 10 A 1 ATOM 76 C CE1 . TYR A 1 10 ? -6.821 1.924 -4.081 1.00 90.89 10 A 1 ATOM 77 C CE2 . TYR A 1 10 ? -7.811 -0.176 -3.448 1.00 91.16 10 A 1 ATOM 78 C CZ . TYR A 1 10 ? -7.776 0.940 -4.271 1.00 92.00 10 A 1 ATOM 79 O OH . TYR A 1 10 ? -8.697 1.072 -5.282 1.00 90.35 10 A 1 ATOM 80 N N . PHE A 1 11 ? -2.103 1.433 -2.299 1.00 96.38 11 A 1 ATOM 81 C CA . PHE A 1 11 ? -1.317 2.209 -3.256 1.00 96.14 11 A 1 ATOM 82 C C . PHE A 1 11 ? -0.347 1.313 -4.024 1.00 96.87 11 A 1 ATOM 83 O O . PHE A 1 11 ? -0.246 1.396 -5.246 1.00 96.45 11 A 1 ATOM 84 C CB . PHE A 1 11 ? -0.551 3.307 -2.523 1.00 95.59 11 A 1 ATOM 85 C CG . PHE A 1 11 ? 0.313 4.123 -3.446 1.00 93.40 11 A 1 ATOM 86 C CD1 . PHE A 1 11 ? -0.254 5.080 -4.277 1.00 90.13 11 A 1 ATOM 87 C CD2 . PHE A 1 11 ? 1.684 3.916 -3.488 1.00 90.93 11 A 1 ATOM 88 C CE1 . PHE A 1 11 ? 0.535 5.825 -5.141 1.00 89.27 11 A 1 ATOM 89 C CE2 . PHE A 1 11 ? 2.485 4.656 -4.357 1.00 89.46 11 A 1 ATOM 90 C CZ . PHE A 1 11 ? 1.908 5.613 -5.183 1.00 89.88 11 A 1 ATOM 91 N N . ILE A 1 12 ? 0.360 0.438 -3.306 1.00 96.91 12 A 1 ATOM 92 C CA . ILE A 1 12 ? 1.313 -0.488 -3.923 1.00 96.76 12 A 1 ATOM 93 C C . ILE A 1 12 ? 0.585 -1.442 -4.867 1.00 97.25 12 A 1 ATOM 94 O O . ILE A 1 12 ? 1.050 -1.715 -5.976 1.00 96.84 12 A 1 ATOM 95 C CB . ILE A 1 12 ? 2.076 -1.277 -2.849 1.00 96.30 12 A 1 ATOM 96 C CG1 . ILE A 1 12 ? 2.904 -0.325 -1.977 1.00 94.84 12 A 1 ATOM 97 C CG2 . ILE A 1 12 ? 2.992 -2.318 -3.499 1.00 94.82 12 A 1 ATOM 98 C CD1 . ILE A 1 12 ? 3.456 -0.983 -0.725 1.00 90.60 12 A 1 ATOM 99 N N . THR A 1 13 ? -0.557 -1.943 -4.436 1.00 97.45 13 A 1 ATOM 100 C CA . THR A 1 13 ? -1.357 -2.860 -5.247 1.00 97.35 13 A 1 ATOM 101 C C . THR A 1 13 ? -1.840 -2.182 -6.527 1.00 97.74 13 A 1 ATOM 102 O O . THR A 1 13 ? -1.873 -2.803 -7.588 1.00 97.12 13 A 1 ATOM 103 C CB . THR A 1 13 ? -2.564 -3.364 -4.455 1.00 96.40 13 A 1 ATOM 104 O OG1 . THR A 1 13 ? -2.118 -3.972 -3.247 1.00 92.34 13 A 1 ATOM 105 C CG2 . THR A 1 13 ? -3.341 -4.403 -5.251 1.00 91.45 13 A 1 ATOM 106 N N . ALA A 1 14 ? -2.191 -0.928 -6.443 1.00 97.95 14 A 1 ATOM 107 C CA . ALA A 1 14 ? -2.663 -0.175 -7.602 1.00 97.95 14 A 1 ATOM 108 C C . ALA A 1 14 ? -1.547 0.046 -8.621 1.00 98.20 14 A 1 ATOM 109 O O . ALA A 1 14 ? -1.805 0.132 -9.820 1.00 97.52 14 A 1 ATOM 110 C CB . ALA A 1 14 ? -3.228 1.164 -7.149 1.00 97.37 14 A 1 ATOM 111 N N . VAL A 1 15 ? -0.306 0.131 -8.151 1.00 98.02 15 A 1 ATOM 112 C CA . VAL A 1 15 ? 0.848 0.349 -9.030 1.00 97.93 15 A 1 ATOM 113 C C . VAL A 1 15 ? 1.320 -0.954 -9.663 1.00 98.05 15 A 1 ATOM 114 O O . VAL A 1 15 ? 1.645 -0.994 -10.852 1.00 97.47 15 A 1 ATOM 115 C CB . VAL A 1 15 ? 2.004 1.001 -8.256 1.00 97.34 15 A 1 ATOM 116 C CG1 . VAL A 1 15 ? 3.252 1.108 -9.126 1.00 95.22 15 A 1 ATOM 117 C CG2 . VAL A 1 15 ? 1.601 2.382 -7.773 1.00 94.74 15 A 1 ATOM 118 N N . TYR A 1 16 ? 1.380 -2.018 -8.857 1.00 97.99 16 A 1 ATOM 119 C CA . TYR A 1 16 ? 1.872 -3.306 -9.333 1.00 97.56 16 A 1 ATOM 120 C C . TYR A 1 16 ? 0.744 -4.288 -9.645 1.00 97.31 16 A 1 ATOM 121 O O . TYR A 1 16 ? 1.001 -5.466 -9.892 1.00 95.90 16 A 1 ATOM 122 C CB . TYR A 1 16 ? 2.823 -3.906 -8.289 1.00 96.57 16 A 1 ATOM 123 C CG . TYR A 1 16 ? 4.077 -3.086 -8.079 1.00 94.60 16 A 1 ATOM 124 C CD1 . TYR A 1 16 ? 5.102 -3.101 -9.019 1.00 91.81 16 A 1 ATOM 125 C CD2 . TYR A 1 16 ? 4.230 -2.304 -6.942 1.00 91.57 16 A 1 ATOM 126 C CE1 . TYR A 1 16 ? 6.255 -2.355 -8.827 1.00 91.13 16 A 1 ATOM 127 C CE2 . TYR A 1 16 ? 5.380 -1.549 -6.745 1.00 90.96 16 A 1 ATOM 128 C CZ . TYR A 1 16 ? 6.390 -1.580 -7.689 1.00 92.00 16 A 1 ATOM 129 O OH . TYR A 1 16 ? 7.529 -0.838 -7.497 1.00 90.57 16 A 1 ATOM 130 N N . GLY A 1 17 ? -0.480 -3.840 -9.657 1.00 94.53 17 A 1 ATOM 131 C CA . GLY A 1 17 ? -1.641 -4.702 -9.902 1.00 92.23 17 A 1 ATOM 132 C C . GLY A 1 17 ? -2.491 -4.181 -11.029 1.00 89.83 17 A 1 ATOM 133 O O . GLY A 1 17 ? -2.471 -4.786 -12.115 1.00 85.26 17 A 1 ATOM 134 O OXT . GLY A 1 17 ? -3.175 -3.175 -10.803 1.00 88.51 17 A 1 #