# 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_spkb30045 # _entry.id spkb30045 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "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" "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" "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 ASN 2 1 n GLY 3 1 n ALA 4 1 n VAL 5 1 n CYS 6 1 n VAL 7 1 n LEU 8 1 n SER 9 1 n ALA 10 1 n LEU 11 1 n ILE 12 1 n ALA 13 1 n VAL 14 1 n PHE 15 1 n THR 16 1 n CYS 17 1 n PHE 18 1 n SER 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 @ 2025-07-12 21:25:52)" _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 90.08 _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 81.08 1 1 A ASN 2 2 82.81 1 2 A GLY 3 2 92.67 1 3 A ALA 4 2 92.22 1 4 A VAL 5 2 90.35 1 5 A CYS 6 2 89.86 1 6 A VAL 7 2 93.07 1 7 A LEU 8 2 91.52 1 8 A SER 9 2 92.33 1 9 A ALA 10 2 95.30 1 10 A LEU 11 2 92.57 1 11 A ILE 12 2 93.25 1 12 A ALA 13 2 95.67 1 13 A VAL 14 2 94.13 1 14 A PHE 15 2 90.17 1 15 A THR 16 2 93.14 1 16 A CYS 17 2 90.81 1 17 A PHE 18 2 87.60 1 18 A SER 19 2 80.92 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 ASN . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n CYS . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n SER . 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 ? -8.850 4.260 16.324 1.00 85.87 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.802 3.397 15.745 1.00 87.36 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.431 2.344 14.837 1.00 88.23 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.126 1.456 15.315 1.00 85.41 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.018 2.702 16.857 1.00 82.67 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.293 3.685 17.759 1.00 79.13 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.480 2.869 19.141 1.00 73.19 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.795 4.282 19.985 1.00 66.79 1 A 1 ATOM 9 N N . ASN A 1 2 ? -8.204 2.457 13.546 1.00 82.93 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -8.761 1.517 12.583 1.00 87.56 2 A 1 ATOM 11 C C . ASN A 1 2 ? -7.674 0.592 12.040 1.00 89.42 2 A 1 ATOM 12 O O . ASN A 1 2 ? -6.671 1.058 11.496 1.00 87.00 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -9.427 2.275 11.432 1.00 83.09 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -10.888 2.562 11.704 1.00 79.39 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -11.341 2.525 12.836 1.00 77.45 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -11.632 2.847 10.652 1.00 75.61 2 A 1 ATOM 17 N N . GLY A 1 3 ? -7.886 -0.706 12.184 1.00 90.65 3 A 1 ATOM 18 C CA . GLY A 1 3 ? -6.930 -1.692 11.686 1.00 92.49 3 A 1 ATOM 19 C C . GLY A 1 3 ? -6.921 -1.759 10.172 1.00 94.35 3 A 1 ATOM 20 O O . GLY A 1 3 ? -5.889 -2.013 9.554 1.00 93.19 3 A 1 ATOM 21 N N . ALA A 1 4 ? -8.084 -1.508 9.563 1.00 90.63 4 A 1 ATOM 22 C CA . ALA A 1 4 ? -8.217 -1.529 8.107 1.00 92.70 4 A 1 ATOM 23 C C . ALA A 1 4 ? -7.332 -0.474 7.450 1.00 94.20 4 A 1 ATOM 24 O O . ALA A 1 4 ? -6.807 -0.686 6.358 1.00 92.63 4 A 1 ATOM 25 C CB . ALA A 1 4 ? -9.674 -1.307 7.720 1.00 90.96 4 A 1 ATOM 26 N N . VAL A 1 5 ? -7.160 0.658 8.117 1.00 91.56 5 A 1 ATOM 27 C CA . VAL A 1 5 ? -6.321 1.745 7.606 1.00 92.44 5 A 1 ATOM 28 C C . VAL A 1 5 ? -4.866 1.299 7.518 1.00 93.42 5 A 1 ATOM 29 O O . VAL A 1 5 ? -4.159 1.625 6.561 1.00 92.44 5 A 1 ATOM 30 C CB . VAL A 1 5 ? -6.431 2.992 8.496 1.00 90.84 5 A 1 ATOM 31 C CG1 . VAL A 1 5 ? -5.527 4.104 7.983 1.00 85.48 5 A 1 ATOM 32 C CG2 . VAL A 1 5 ? -7.870 3.474 8.559 1.00 86.30 5 A 1 ATOM 33 N N . CYS A 1 6 ? -4.415 0.552 8.513 1.00 89.82 6 A 1 ATOM 34 C CA . CYS A 1 6 ? -3.048 0.043 8.533 1.00 91.70 6 A 1 ATOM 35 C C . CYS A 1 6 ? -2.812 -0.928 7.378 1.00 93.90 6 A 1 ATOM 36 O O . CYS A 1 6 ? -1.755 -0.922 6.753 1.00 92.21 6 A 1 ATOM 37 C CB . CYS A 1 6 ? -2.758 -0.644 9.866 1.00 88.46 6 A 1 ATOM 38 S SG . CYS A 1 6 ? -2.168 0.502 11.134 1.00 83.08 6 A 1 ATOM 39 N N . VAL A 1 7 ? -3.821 -1.762 7.108 1.00 92.70 7 A 1 ATOM 40 C CA . VAL A 1 7 ? -3.734 -2.734 6.018 1.00 94.28 7 A 1 ATOM 41 C C . VAL A 1 7 ? -3.663 -2.032 4.668 1.00 95.56 7 A 1 ATOM 42 O O . VAL A 1 7 ? -2.819 -2.359 3.829 1.00 95.26 7 A 1 ATOM 43 C CB . VAL A 1 7 ? -4.934 -3.692 6.041 1.00 93.58 7 A 1 ATOM 44 C CG1 . VAL A 1 7 ? -4.841 -4.686 4.891 1.00 90.21 7 A 1 ATOM 45 C CG2 . VAL A 1 7 ? -5.003 -4.424 7.370 1.00 89.90 7 A 1 ATOM 46 N N . LEU A 1 8 ? -4.549 -1.056 4.466 1.00 94.20 8 A 1 ATOM 47 C CA . LEU A 1 8 ? -4.572 -0.297 3.219 1.00 94.18 8 A 1 ATOM 48 C C . LEU A 1 8 ? -3.273 0.477 3.028 1.00 95.33 8 A 1 ATOM 49 O O . LEU A 1 8 ? -2.725 0.531 1.928 1.00 95.47 8 A 1 ATOM 50 C CB . LEU A 1 8 ? -5.760 0.668 3.207 1.00 93.49 8 A 1 ATOM 51 C CG . LEU A 1 8 ? -6.947 0.188 2.371 1.00 87.96 8 A 1 ATOM 52 C CD1 . LEU A 1 8 ? -7.615 -1.011 3.018 1.00 85.75 8 A 1 ATOM 53 C CD2 . LEU A 1 8 ? -7.945 1.316 2.174 1.00 85.78 8 A 1 ATOM 54 N N . SER A 1 9 ? -2.778 1.069 4.108 1.00 94.01 9 A 1 ATOM 55 C CA . SER A 1 9 ? -1.534 1.829 4.074 1.00 93.87 9 A 1 ATOM 56 C C . SER A 1 9 ? -0.362 0.925 3.707 1.00 94.86 9 A 1 ATOM 57 O O . SER A 1 9 ? 0.539 1.324 2.969 1.00 94.13 9 A 1 ATOM 58 C CB . SER A 1 9 ? -1.283 2.492 5.425 1.00 92.47 9 A 1 ATOM 59 O OG . SER A 1 9 ? -0.228 3.418 5.327 1.00 84.67 9 A 1 ATOM 60 N N . ALA A 1 10 ? -0.387 -0.300 4.211 1.00 95.36 10 A 1 ATOM 61 C CA . ALA A 1 10 ? 0.659 -1.274 3.909 1.00 95.52 10 A 1 ATOM 62 C C . ALA A 1 10 ? 0.653 -1.630 2.423 1.00 96.13 10 A 1 ATOM 63 O O . ALA A 1 10 ? 1.711 -1.755 1.804 1.00 94.60 10 A 1 ATOM 64 C CB . ALA A 1 10 ? 0.463 -2.526 4.759 1.00 94.89 10 A 1 ATOM 65 N N . LEU A 1 11 ? -0.546 -1.789 1.857 1.00 95.16 11 A 1 ATOM 66 C CA . LEU A 1 11 ? -0.693 -2.106 0.439 1.00 94.95 11 A 1 ATOM 67 C C . LEU A 1 11 ? -0.104 -0.999 -0.429 1.00 95.63 11 A 1 ATOM 68 O O . LEU A 1 11 ? 0.597 -1.256 -1.407 1.00 95.41 11 A 1 ATOM 69 C CB . LEU A 1 11 ? -2.179 -2.308 0.101 1.00 94.28 11 A 1 ATOM 70 C CG . LEU A 1 11 ? -2.611 -3.768 -0.033 1.00 89.68 11 A 1 ATOM 71 C CD1 . LEU A 1 11 ? -1.939 -4.406 -1.231 1.00 88.03 11 A 1 ATOM 72 C CD2 . LEU A 1 11 ? -2.276 -4.536 1.236 1.00 87.42 11 A 1 ATOM 73 N N . ILE A 1 12 ? -0.392 0.243 -0.060 1.00 95.01 12 A 1 ATOM 74 C CA . ILE A 1 12 ? 0.126 1.400 -0.785 1.00 94.53 12 A 1 ATOM 75 C C . ILE A 1 12 ? 1.648 1.463 -0.677 1.00 94.99 12 A 1 ATOM 76 O O . ILE A 1 12 ? 2.340 1.781 -1.649 1.00 94.33 12 A 1 ATOM 77 C CB . ILE A 1 12 ? -0.497 2.695 -0.245 1.00 94.26 12 A 1 ATOM 78 C CG1 . ILE A 1 12 ? -2.015 2.679 -0.436 1.00 92.90 12 A 1 ATOM 79 C CG2 . ILE A 1 12 ? 0.107 3.908 -0.958 1.00 92.05 12 A 1 ATOM 80 C CD1 . ILE A 1 12 ? -2.727 3.769 0.335 1.00 87.92 12 A 1 ATOM 81 N N . ALA A 1 13 ? 2.164 1.159 0.502 1.00 96.21 13 A 1 ATOM 82 C CA . ALA A 1 13 ? 3.604 1.170 0.731 1.00 95.91 13 A 1 ATOM 83 C C . ALA A 1 13 ? 4.304 0.136 -0.149 1.00 96.29 13 A 1 ATOM 84 O O . ALA A 1 13 ? 5.371 0.397 -0.701 1.00 94.79 13 A 1 ATOM 85 C CB . ALA A 1 13 ? 3.901 0.901 2.202 1.00 95.13 13 A 1 ATOM 86 N N . VAL A 1 14 ? 3.694 -1.040 -0.285 1.00 95.46 14 A 1 ATOM 87 C CA . VAL A 1 14 ? 4.249 -2.099 -1.129 1.00 95.19 14 A 1 ATOM 88 C C . VAL A 1 14 ? 4.256 -1.672 -2.592 1.00 95.63 14 A 1 ATOM 89 O O . VAL A 1 14 ? 5.236 -1.892 -3.310 1.00 95.00 14 A 1 ATOM 90 C CB . VAL A 1 14 ? 3.448 -3.399 -0.971 1.00 94.17 14 A 1 ATOM 91 C CG1 . VAL A 1 14 ? 3.947 -4.463 -1.943 1.00 91.77 14 A 1 ATOM 92 C CG2 . VAL A 1 14 ? 3.548 -3.912 0.458 1.00 91.66 14 A 1 ATOM 93 N N . PHE A 1 15 ? 3.160 -1.051 -3.031 1.00 93.32 15 A 1 ATOM 94 C CA . PHE A 1 15 ? 3.039 -0.596 -4.410 1.00 92.83 15 A 1 ATOM 95 C C . PHE A 1 15 ? 4.071 0.477 -4.737 1.00 94.05 15 A 1 ATOM 96 O O . PHE A 1 15 ? 4.693 0.442 -5.801 1.00 93.75 15 A 1 ATOM 97 C CB . PHE A 1 15 ? 1.628 -0.059 -4.648 1.00 92.59 15 A 1 ATOM 98 C CG . PHE A 1 15 ? 1.398 0.347 -6.076 1.00 89.94 15 A 1 ATOM 99 C CD1 . PHE A 1 15 ? 1.229 -0.613 -7.058 1.00 87.20 15 A 1 ATOM 100 C CD2 . PHE A 1 15 ? 1.356 1.686 -6.423 1.00 87.86 15 A 1 ATOM 101 C CE1 . PHE A 1 15 ? 1.021 -0.249 -8.375 1.00 86.28 15 A 1 ATOM 102 C CE2 . PHE A 1 15 ? 1.150 2.059 -7.745 1.00 86.99 15 A 1 ATOM 103 C CZ . PHE A 1 15 ? 0.983 1.092 -8.720 1.00 87.01 15 A 1 ATOM 104 N N . THR A 1 16 ? 4.260 1.425 -3.828 1.00 95.43 16 A 1 ATOM 105 C CA . THR A 1 16 ? 5.216 2.510 -4.052 1.00 95.04 16 A 1 ATOM 106 C C . THR A 1 16 ? 6.653 1.996 -4.010 1.00 95.36 16 A 1 ATOM 107 O O . THR A 1 16 ? 7.514 2.483 -4.744 1.00 94.14 16 A 1 ATOM 108 C CB . THR A 1 16 ? 5.027 3.641 -3.024 1.00 94.05 16 A 1 ATOM 109 O OG1 . THR A 1 16 ? 5.845 4.751 -3.393 1.00 89.83 16 A 1 ATOM 110 C CG2 . THR A 1 16 ? 5.410 3.214 -1.622 1.00 88.10 16 A 1 ATOM 111 N N . CYS A 1 17 ? 6.907 1.003 -3.170 1.00 93.16 17 A 1 ATOM 112 C CA . CYS A 1 17 ? 8.240 0.416 -3.049 1.00 92.54 17 A 1 ATOM 113 C C . CYS A 1 17 ? 8.576 -0.418 -4.283 1.00 93.20 17 A 1 ATOM 114 O O . CYS A 1 17 ? 9.719 -0.454 -4.737 1.00 91.37 17 A 1 ATOM 115 C CB . CYS A 1 17 ? 8.326 -0.444 -1.787 1.00 90.20 17 A 1 ATOM 116 S SG . CYS A 1 17 ? 10.033 -0.781 -1.306 1.00 84.37 17 A 1 ATOM 117 N N . PHE A 1 18 ? 7.556 -1.097 -4.814 1.00 91.87 18 A 1 ATOM 118 C CA . PHE A 1 18 ? 7.725 -1.926 -6.001 1.00 91.30 18 A 1 ATOM 119 C C . PHE A 1 18 ? 7.889 -1.075 -7.257 1.00 92.68 18 A 1 ATOM 120 O O . PHE A 1 18 ? 8.589 -1.470 -8.196 1.00 92.07 18 A 1 ATOM 121 C CB . PHE A 1 18 ? 6.515 -2.851 -6.152 1.00 90.00 18 A 1 ATOM 122 C CG . PHE A 1 18 ? 6.467 -3.550 -7.482 1.00 87.81 18 A 1 ATOM 123 C CD1 . PHE A 1 18 ? 7.320 -4.607 -7.751 1.00 84.37 18 A 1 ATOM 124 C CD2 . PHE A 1 18 ? 5.576 -3.138 -8.459 1.00 84.19 18 A 1 ATOM 125 C CE1 . PHE A 1 18 ? 7.286 -5.256 -8.973 1.00 83.05 18 A 1 ATOM 126 C CE2 . PHE A 1 18 ? 5.540 -3.781 -9.693 1.00 82.99 18 A 1 ATOM 127 C CZ . PHE A 1 18 ? 6.395 -4.839 -9.946 1.00 83.32 18 A 1 ATOM 128 N N . SER A 1 19 ? 7.248 0.075 -7.269 1.00 90.42 19 A 1 ATOM 129 C CA . SER A 1 19 ? 7.292 0.977 -8.420 1.00 87.96 19 A 1 ATOM 130 C C . SER A 1 19 ? 8.695 1.557 -8.597 1.00 83.09 19 A 1 ATOM 131 O O . SER A 1 19 ? 9.209 1.543 -9.731 1.00 77.21 19 A 1 ATOM 132 C CB . SER A 1 19 ? 6.269 2.103 -8.255 1.00 80.59 19 A 1 ATOM 133 O OG . SER A 1 19 ? 6.209 2.873 -9.433 1.00 73.18 19 A 1 ATOM 134 O OXT . SER A 1 19 ? 9.270 2.024 -7.618 1.00 74.00 19 A 1 #