# 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_spkb36351 # _entry.id spkb36351 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)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 ALA 2 1 n PRO 3 1 n VAL 4 1 n HIS 5 1 n VAL 6 1 n LEU 7 1 n CYS 8 1 n CYS 9 1 n VAL 10 1 n SER 11 1 n VAL 12 1 n LEU 13 1 n LEU 14 1 n ALA 15 1 n THR 16 1 n PHE 17 1 n TYR 18 1 n LEU 19 1 n THR 20 1 n PRO 21 1 n THR 22 1 n GLU 23 1 n SER 24 # _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 @ 2025-07-05 20:05:22)" _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 88.78 _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 76.84 1 1 A ALA 2 2 86.76 1 2 A PRO 3 2 89.54 1 3 A VAL 4 2 90.41 1 4 A HIS 5 2 84.66 1 5 A VAL 6 2 92.79 1 6 A LEU 7 2 92.03 1 7 A CYS 8 2 93.91 1 8 A CYS 9 2 93.43 1 9 A VAL 10 2 95.35 1 10 A SER 11 2 93.11 1 11 A VAL 12 2 95.22 1 12 A LEU 13 2 92.71 1 13 A LEU 14 2 91.92 1 14 A ALA 15 2 94.84 1 15 A THR 16 2 91.92 1 16 A PHE 17 2 90.89 1 17 A TYR 18 2 91.18 1 18 A LEU 19 2 90.44 1 19 A THR 20 2 87.96 1 20 A PRO 21 2 88.20 1 21 A THR 22 2 83.65 1 22 A GLU 23 2 73.67 1 23 A SER 24 2 75.71 1 24 # _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 PRO . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n HIS . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n TYR . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n THR . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n SER . 24 A 24 # _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 ? -16.510 1.544 11.984 1.00 81.62 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.327 1.211 11.165 1.00 84.81 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.371 -0.279 10.856 1.00 86.36 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.452 -1.073 11.788 1.00 83.88 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.031 1.563 11.905 1.00 78.22 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.871 3.079 12.080 1.00 72.25 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.404 3.514 13.048 1.00 67.98 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.490 5.313 12.965 1.00 59.59 1 A 1 ATOM 9 N N . ALA A 1 2 ? -15.374 -0.664 9.592 1.00 84.19 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -15.397 -2.077 9.228 1.00 88.09 2 A 1 ATOM 11 C C . ALA A 1 2 ? -13.966 -2.652 9.283 1.00 90.36 2 A 1 ATOM 12 O O . ALA A 1 2 ? -13.049 -2.012 8.764 1.00 88.30 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -16.026 -2.225 7.843 1.00 82.85 2 A 1 ATOM 14 N N . PRO A 1 3 ? -13.752 -3.842 9.860 1.00 89.46 3 A 1 ATOM 15 C CA . PRO A 1 3 ? -12.421 -4.456 9.967 1.00 93.06 3 A 1 ATOM 16 C C . PRO A 1 3 ? -11.791 -4.724 8.595 1.00 94.37 3 A 1 ATOM 17 O O . PRO A 1 3 ? -10.581 -4.599 8.431 1.00 91.32 3 A 1 ATOM 18 C CB . PRO A 1 3 ? -12.653 -5.749 10.764 1.00 88.92 3 A 1 ATOM 19 C CG . PRO A 1 3 ? -14.124 -6.073 10.546 1.00 83.24 3 A 1 ATOM 20 C CD . PRO A 1 3 ? -14.776 -4.703 10.428 1.00 86.43 3 A 1 ATOM 21 N N . VAL A 1 4 ? -12.615 -5.018 7.593 1.00 91.98 4 A 1 ATOM 22 C CA . VAL A 1 4 ? -12.183 -5.221 6.199 1.00 93.57 4 A 1 ATOM 23 C C . VAL A 1 4 ? -11.552 -3.950 5.615 1.00 94.48 4 A 1 ATOM 24 O O . VAL A 1 4 ? -10.568 -4.022 4.880 1.00 92.94 4 A 1 ATOM 25 C CB . VAL A 1 4 ? -13.376 -5.672 5.335 1.00 91.54 4 A 1 ATOM 26 C CG1 . VAL A 1 4 ? -12.962 -5.918 3.885 1.00 83.33 4 A 1 ATOM 27 C CG2 . VAL A 1 4 ? -14.004 -6.953 5.882 1.00 85.06 4 A 1 ATOM 28 N N . HIS A 1 5 ? -12.071 -2.780 5.978 1.00 89.59 5 A 1 ATOM 29 C CA . HIS A 1 5 ? -11.561 -1.495 5.495 1.00 90.91 5 A 1 ATOM 30 C C . HIS A 1 5 ? -10.159 -1.205 6.044 1.00 92.37 5 A 1 ATOM 31 O O . HIS A 1 5 ? -9.288 -0.751 5.306 1.00 91.92 5 A 1 ATOM 32 C CB . HIS A 1 5 ? -12.553 -0.388 5.876 1.00 89.79 5 A 1 ATOM 33 C CG . HIS A 1 5 ? -12.433 0.816 4.986 1.00 85.58 5 A 1 ATOM 34 N ND1 . HIS A 1 5 ? -11.770 1.982 5.289 1.00 74.73 5 A 1 ATOM 35 C CD2 . HIS A 1 5 ? -12.950 0.974 3.730 1.00 76.06 5 A 1 ATOM 36 C CE1 . HIS A 1 5 ? -11.891 2.811 4.235 1.00 76.93 5 A 1 ATOM 37 N NE2 . HIS A 1 5 ? -12.600 2.235 3.273 1.00 78.73 5 A 1 ATOM 38 N N . VAL A 1 6 ? -9.914 -1.535 7.306 1.00 93.88 6 A 1 ATOM 39 C CA . VAL A 1 6 ? -8.592 -1.399 7.937 1.00 94.37 6 A 1 ATOM 40 C C . VAL A 1 6 ? -7.584 -2.340 7.278 1.00 94.99 6 A 1 ATOM 41 O O . VAL A 1 6 ? -6.493 -1.911 6.906 1.00 94.19 6 A 1 ATOM 42 C CB . VAL A 1 6 ? -8.675 -1.660 9.449 1.00 93.52 6 A 1 ATOM 43 C CG1 . VAL A 1 6 ? -7.306 -1.534 10.112 1.00 88.93 6 A 1 ATOM 44 C CG2 . VAL A 1 6 ? -9.630 -0.670 10.119 1.00 89.68 6 A 1 ATOM 45 N N . LEU A 1 7 ? -7.957 -3.592 7.069 1.00 95.32 7 A 1 ATOM 46 C CA . LEU A 1 7 ? -7.094 -4.580 6.418 1.00 95.34 7 A 1 ATOM 47 C C . LEU A 1 7 ? -6.741 -4.165 4.983 1.00 95.54 7 A 1 ATOM 48 O O . LEU A 1 7 ? -5.581 -4.250 4.585 1.00 95.46 7 A 1 ATOM 49 C CB . LEU A 1 7 ? -7.797 -5.946 6.447 1.00 95.37 7 A 1 ATOM 50 C CG . LEU A 1 7 ? -6.918 -7.094 5.933 1.00 88.48 7 A 1 ATOM 51 C CD1 . LEU A 1 7 ? -5.716 -7.347 6.842 1.00 84.85 7 A 1 ATOM 52 C CD2 . LEU A 1 7 ? -7.752 -8.369 5.846 1.00 85.90 7 A 1 ATOM 53 N N . CYS A 1 8 ? -7.715 -3.673 4.227 1.00 95.38 8 A 1 ATOM 54 C CA . CYS A 1 8 ? -7.507 -3.163 2.872 1.00 95.67 8 A 1 ATOM 55 C C . CYS A 1 8 ? -6.544 -1.963 2.870 1.00 95.91 8 A 1 ATOM 56 O O . CYS A 1 8 ? -5.599 -1.937 2.087 1.00 94.89 8 A 1 ATOM 57 C CB . CYS A 1 8 ? -8.873 -2.802 2.273 1.00 94.83 8 A 1 ATOM 58 S SG . CYS A 1 8 ? -8.694 -2.304 0.538 1.00 86.76 8 A 1 ATOM 59 N N . CYS A 1 9 ? -6.726 -1.018 3.779 1.00 94.76 9 A 1 ATOM 60 C CA . CYS A 1 9 ? -5.869 0.160 3.903 1.00 95.14 9 A 1 ATOM 61 C C . CYS A 1 9 ? -4.412 -0.228 4.207 1.00 95.66 9 A 1 ATOM 62 O O . CYS A 1 9 ? -3.493 0.264 3.554 1.00 94.39 9 A 1 ATOM 63 C CB . CYS A 1 9 ? -6.452 1.072 4.990 1.00 93.97 9 A 1 ATOM 64 S SG . CYS A 1 9 ? -5.554 2.638 5.044 1.00 86.69 9 A 1 ATOM 65 N N . VAL A 1 10 ? -4.197 -1.147 5.138 1.00 95.88 10 A 1 ATOM 66 C CA . VAL A 1 10 ? -2.862 -1.658 5.477 1.00 96.23 10 A 1 ATOM 67 C C . VAL A 1 10 ? -2.230 -2.372 4.280 1.00 96.66 10 A 1 ATOM 68 O O . VAL A 1 10 ? -1.061 -2.142 3.977 1.00 95.95 10 A 1 ATOM 69 C CB . VAL A 1 10 ? -2.934 -2.584 6.706 1.00 95.69 10 A 1 ATOM 70 C CG1 . VAL A 1 10 ? -1.597 -3.278 6.989 1.00 93.47 10 A 1 ATOM 71 C CG2 . VAL A 1 10 ? -3.311 -1.788 7.954 1.00 93.60 10 A 1 ATOM 72 N N . SER A 1 11 ? -2.986 -3.188 3.563 1.00 95.62 11 A 1 ATOM 73 C CA . SER A 1 11 ? -2.495 -3.906 2.384 1.00 95.54 11 A 1 ATOM 74 C C . SER A 1 11 ? -2.061 -2.948 1.270 1.00 95.83 11 A 1 ATOM 75 O O . SER A 1 11 ? -1.001 -3.140 0.678 1.00 94.67 11 A 1 ATOM 76 C CB . SER A 1 11 ? -3.569 -4.854 1.846 1.00 94.39 11 A 1 ATOM 77 O OG . SER A 1 11 ? -3.949 -5.800 2.824 1.00 82.59 11 A 1 ATOM 78 N N . VAL A 1 12 ? -2.833 -1.899 1.012 1.00 96.37 12 A 1 ATOM 79 C CA . VAL A 1 12 ? -2.493 -0.869 0.020 1.00 96.22 12 A 1 ATOM 80 C C . VAL A 1 12 ? -1.250 -0.090 0.454 1.00 96.47 12 A 1 ATOM 81 O O . VAL A 1 12 ? -0.348 0.123 -0.357 1.00 95.43 12 A 1 ATOM 82 C CB . VAL A 1 12 ? -3.687 0.074 -0.218 1.00 95.48 12 A 1 ATOM 83 C CG1 . VAL A 1 12 ? -3.320 1.268 -1.103 1.00 93.37 12 A 1 ATOM 84 C CG2 . VAL A 1 12 ? -4.836 -0.671 -0.903 1.00 93.23 12 A 1 ATOM 85 N N . LEU A 1 13 ? -1.163 0.290 1.718 1.00 95.97 13 A 1 ATOM 86 C CA . LEU A 1 13 ? -0.012 1.008 2.265 1.00 95.59 13 A 1 ATOM 87 C C . LEU A 1 13 ? 1.275 0.189 2.123 1.00 95.91 13 A 1 ATOM 88 O O . LEU A 1 13 ? 2.292 0.710 1.668 1.00 95.43 13 A 1 ATOM 89 C CB . LEU A 1 13 ? -0.294 1.351 3.735 1.00 95.26 13 A 1 ATOM 90 C CG . LEU A 1 13 ? 0.816 2.184 4.396 1.00 89.84 13 A 1 ATOM 91 C CD1 . LEU A 1 13 ? 0.903 3.589 3.803 1.00 86.57 13 A 1 ATOM 92 C CD2 . LEU A 1 13 ? 0.546 2.295 5.893 1.00 87.08 13 A 1 ATOM 93 N N . LEU A 1 14 ? 1.233 -1.091 2.467 1.00 95.38 14 A 1 ATOM 94 C CA . LEU A 1 14 ? 2.369 -1.996 2.325 1.00 95.07 14 A 1 ATOM 95 C C . LEU A 1 14 ? 2.756 -2.175 0.856 1.00 95.21 14 A 1 ATOM 96 O O . LEU A 1 14 ? 3.934 -2.077 0.520 1.00 94.77 14 A 1 ATOM 97 C CB . LEU A 1 14 ? 2.031 -3.351 2.963 1.00 94.53 14 A 1 ATOM 98 C CG . LEU A 1 14 ? 1.975 -3.331 4.497 1.00 88.55 14 A 1 ATOM 99 C CD1 . LEU A 1 14 ? 1.447 -4.671 5.003 1.00 85.77 14 A 1 ATOM 100 C CD2 . LEU A 1 14 ? 3.344 -3.079 5.123 1.00 86.08 14 A 1 ATOM 101 N N . ALA A 1 15 ? 1.790 -2.382 -0.034 1.00 95.52 15 A 1 ATOM 102 C CA . ALA A 1 15 ? 2.053 -2.508 -1.463 1.00 95.18 15 A 1 ATOM 103 C C . ALA A 1 15 ? 2.736 -1.254 -2.022 1.00 95.48 15 A 1 ATOM 104 O O . ALA A 1 15 ? 3.750 -1.369 -2.703 1.00 93.56 15 A 1 ATOM 105 C CB . ALA A 1 15 ? 0.739 -2.803 -2.191 1.00 94.44 15 A 1 ATOM 106 N N . THR A 1 16 ? 2.254 -0.069 -1.685 1.00 95.40 16 A 1 ATOM 107 C CA . THR A 1 16 ? 2.851 1.199 -2.115 1.00 94.93 16 A 1 ATOM 108 C C . THR A 1 16 ? 4.267 1.360 -1.564 1.00 95.25 16 A 1 ATOM 109 O O . THR A 1 16 ? 5.178 1.712 -2.312 1.00 93.81 16 A 1 ATOM 110 C CB . THR A 1 16 ? 1.978 2.376 -1.671 1.00 93.57 16 A 1 ATOM 111 O OG1 . THR A 1 16 ? 0.664 2.222 -2.170 1.00 86.04 16 A 1 ATOM 112 C CG2 . THR A 1 16 ? 2.500 3.709 -2.194 1.00 84.42 16 A 1 ATOM 113 N N . PHE A 1 17 ? 4.480 1.064 -0.282 1.00 94.80 17 A 1 ATOM 114 C CA . PHE A 1 17 ? 5.784 1.194 0.360 1.00 94.29 17 A 1 ATOM 115 C C . PHE A 1 17 ? 6.827 0.252 -0.249 1.00 94.75 17 A 1 ATOM 116 O O . PHE A 1 17 ? 7.964 0.654 -0.475 1.00 93.89 17 A 1 ATOM 117 C CB . PHE A 1 17 ? 5.627 0.941 1.863 1.00 93.60 17 A 1 ATOM 118 C CG . PHE A 1 17 ? 6.918 1.130 2.631 1.00 91.70 17 A 1 ATOM 119 C CD1 . PHE A 1 17 ? 7.717 0.026 2.956 1.00 88.20 17 A 1 ATOM 120 C CD2 . PHE A 1 17 ? 7.336 2.413 2.985 1.00 88.22 17 A 1 ATOM 121 C CE1 . PHE A 1 17 ? 8.928 0.206 3.634 1.00 86.73 17 A 1 ATOM 122 C CE2 . PHE A 1 17 ? 8.551 2.599 3.664 1.00 86.81 17 A 1 ATOM 123 C CZ . PHE A 1 17 ? 9.344 1.494 3.988 1.00 86.75 17 A 1 ATOM 124 N N . TYR A 1 18 ? 6.451 -0.996 -0.540 1.00 95.69 18 A 1 ATOM 125 C CA . TYR A 1 18 ? 7.392 -1.972 -1.091 1.00 95.33 18 A 1 ATOM 126 C C . TYR A 1 18 ? 7.603 -1.818 -2.601 1.00 95.10 18 A 1 ATOM 127 O O . TYR A 1 18 ? 8.686 -2.129 -3.095 1.00 93.80 18 A 1 ATOM 128 C CB . TYR A 1 18 ? 6.932 -3.391 -0.740 1.00 94.69 18 A 1 ATOM 129 C CG . TYR A 1 18 ? 7.179 -3.764 0.708 1.00 92.06 18 A 1 ATOM 130 C CD1 . TYR A 1 18 ? 8.494 -3.859 1.197 1.00 88.42 18 A 1 ATOM 131 C CD2 . TYR A 1 18 ? 6.108 -4.018 1.572 1.00 88.18 18 A 1 ATOM 132 C CE1 . TYR A 1 18 ? 8.731 -4.193 2.534 1.00 87.77 18 A 1 ATOM 133 C CE2 . TYR A 1 18 ? 6.336 -4.354 2.914 1.00 88.29 18 A 1 ATOM 134 C CZ . TYR A 1 18 ? 7.648 -4.436 3.387 1.00 88.66 18 A 1 ATOM 135 O OH . TYR A 1 18 ? 7.877 -4.758 4.704 1.00 86.18 18 A 1 ATOM 136 N N . LEU A 1 19 ? 6.616 -1.330 -3.351 1.00 95.26 19 A 1 ATOM 137 C CA . LEU A 1 19 ? 6.752 -1.073 -4.787 1.00 94.39 19 A 1 ATOM 138 C C . LEU A 1 19 ? 7.526 0.214 -5.064 1.00 94.35 19 A 1 ATOM 139 O O . LEU A 1 19 ? 8.304 0.269 -6.018 1.00 92.59 19 A 1 ATOM 140 C CB . LEU A 1 19 ? 5.361 -1.003 -5.435 1.00 93.38 19 A 1 ATOM 141 C CG . LEU A 1 19 ? 4.665 -2.360 -5.566 1.00 88.18 19 A 1 ATOM 142 C CD1 . LEU A 1 19 ? 3.205 -2.155 -5.962 1.00 83.19 19 A 1 ATOM 143 C CD2 . LEU A 1 19 ? 5.336 -3.230 -6.627 1.00 82.15 19 A 1 ATOM 144 N N . THR A 1 20 ? 7.340 1.230 -4.224 1.00 93.99 20 A 1 ATOM 145 C CA . THR A 1 20 ? 7.961 2.549 -4.385 1.00 92.91 20 A 1 ATOM 146 C C . THR A 1 20 ? 8.571 3.011 -3.056 1.00 92.14 20 A 1 ATOM 147 O O . THR A 1 20 ? 8.093 3.967 -2.450 1.00 89.80 20 A 1 ATOM 148 C CB . THR A 1 20 ? 6.944 3.559 -4.931 1.00 90.13 20 A 1 ATOM 149 O OG1 . THR A 1 20 ? 6.028 2.942 -5.813 1.00 79.26 20 A 1 ATOM 150 C CG2 . THR A 1 20 ? 7.650 4.661 -5.703 1.00 77.47 20 A 1 ATOM 151 N N . PRO A 1 21 ? 9.621 2.323 -2.566 1.00 91.62 21 A 1 ATOM 152 C CA . PRO A 1 21 ? 10.215 2.627 -1.263 1.00 91.06 21 A 1 ATOM 153 C C . PRO A 1 21 ? 10.940 3.973 -1.248 1.00 90.33 21 A 1 ATOM 154 O O . PRO A 1 21 ? 11.003 4.636 -0.219 1.00 85.59 21 A 1 ATOM 155 C CB . PRO A 1 21 ? 11.171 1.464 -0.995 1.00 87.29 21 A 1 ATOM 156 C CG . PRO A 1 21 ? 11.552 0.968 -2.379 1.00 84.04 21 A 1 ATOM 157 C CD . PRO A 1 21 ? 10.296 1.203 -3.200 1.00 87.44 21 A 1 ATOM 158 N N . THR A 1 22 ? 11.478 4.379 -2.389 1.00 91.22 22 A 1 ATOM 159 C CA . THR A 1 22 ? 12.186 5.646 -2.546 1.00 90.34 22 A 1 ATOM 160 C C . THR A 1 22 ? 11.839 6.229 -3.898 1.00 88.30 22 A 1 ATOM 161 O O . THR A 1 22 ? 12.451 5.880 -4.905 1.00 83.88 22 A 1 ATOM 162 C CB . THR A 1 22 ? 13.692 5.453 -2.402 1.00 86.66 22 A 1 ATOM 163 O OG1 . THR A 1 22 ? 13.981 4.733 -1.219 1.00 73.86 22 A 1 ATOM 164 C CG2 . THR A 1 22 ? 14.425 6.776 -2.325 1.00 71.31 22 A 1 ATOM 165 N N . GLU A 1 23 ? 10.847 7.097 -3.913 1.00 84.85 23 A 1 ATOM 166 C CA . GLU A 1 23 ? 10.545 7.891 -5.098 1.00 83.75 23 A 1 ATOM 167 C C . GLU A 1 23 ? 11.418 9.154 -5.086 1.00 81.75 23 A 1 ATOM 168 O O . GLU A 1 23 ? 11.580 9.793 -4.049 1.00 77.08 23 A 1 ATOM 169 C CB . GLU A 1 23 ? 9.037 8.189 -5.152 1.00 79.07 23 A 1 ATOM 170 C CG . GLU A 1 23 ? 8.624 8.709 -6.523 1.00 69.25 23 A 1 ATOM 171 C CD . GLU A 1 23 ? 7.108 8.696 -6.682 1.00 65.37 23 A 1 ATOM 172 O OE1 . GLU A 1 23 ? 6.473 9.714 -6.354 1.00 59.92 23 A 1 ATOM 173 O OE2 . GLU A 1 23 ? 6.578 7.661 -7.112 1.00 61.99 23 A 1 ATOM 174 N N . SER A 1 24 ? 12.034 9.478 -6.209 1.00 84.13 24 A 1 ATOM 175 C CA . SER A 1 24 ? 12.868 10.671 -6.371 1.00 83.42 24 A 1 ATOM 176 C C . SER A 1 24 ? 12.043 11.929 -6.606 1.00 79.21 24 A 1 ATOM 177 O O . SER A 1 24 ? 10.966 11.821 -7.217 1.00 72.47 24 A 1 ATOM 178 C CB . SER A 1 24 ? 13.836 10.489 -7.538 1.00 76.50 24 A 1 ATOM 179 O OG . SER A 1 24 ? 14.678 9.376 -7.313 1.00 67.65 24 A 1 ATOM 180 O OXT . SER A 1 24 ? 12.513 13.029 -6.193 1.00 66.58 24 A 1 #