# 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_spkb19785 # _entry.id spkb19785 # 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" "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" "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 MET 3 1 n ILE 4 1 n SER 5 1 n TYR 6 1 n SER 7 1 n THR 8 1 n ILE 9 1 n VAL 10 1 n VAL 11 1 n ALA 12 1 n LEU 13 1 n LEU 14 1 n ALA 15 1 n SER 16 1 n PHE 17 1 n MET 18 1 n ILE 19 1 n CYS 20 1 n SER 21 1 n VAL 22 1 n SER 23 1 n ALA 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 @ 2025-07-07 22:37:43)" _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 91.29 _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 76.51 1 1 A ALA 2 2 87.45 1 2 A MET 3 2 83.53 1 3 A ILE 4 2 86.81 1 4 A SER 5 2 91.69 1 5 A TYR 6 2 88.80 1 6 A SER 7 2 93.34 1 7 A THR 8 2 92.48 1 8 A ILE 9 2 93.10 1 9 A VAL 10 2 94.69 1 10 A VAL 11 2 95.76 1 11 A ALA 12 2 96.22 1 12 A LEU 13 2 93.62 1 13 A LEU 14 2 94.23 1 14 A ALA 15 2 97.11 1 15 A SER 16 2 95.10 1 16 A PHE 17 2 94.21 1 17 A MET 18 2 91.38 1 18 A ILE 19 2 95.02 1 19 A CYS 20 2 94.84 1 20 A SER 21 2 93.47 1 21 A VAL 22 2 92.86 1 22 A SER 23 2 88.70 1 23 A ALA 24 2 84.90 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 MET . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 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 SER . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n MET . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n CYS . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n ALA . 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 ? -0.593 17.641 16.789 1.00 81.62 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.937 17.138 15.441 1.00 84.36 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.237 15.809 15.160 1.00 84.85 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.164 15.113 16.081 1.00 80.47 1 A 1 ATOM 5 C CB . MET A 1 1 ? -0.571 18.178 14.374 1.00 78.89 1 A 1 ATOM 6 C CG . MET A 1 1 ? 0.883 18.651 14.450 1.00 73.54 1 A 1 ATOM 7 S SD . MET A 1 1 ? 1.190 19.943 13.234 1.00 68.05 1 A 1 ATOM 8 C CE . MET A 1 1 ? 2.835 20.470 13.710 1.00 60.27 1 A 1 ATOM 9 N N . ALA A 1 2 ? -0.088 15.457 13.888 1.00 85.74 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 0.538 14.190 13.499 1.00 89.29 2 A 1 ATOM 11 C C . ALA A 1 2 ? -0.380 13.005 13.805 1.00 89.96 2 A 1 ATOM 12 O O . ALA A 1 2 ? -0.142 12.245 14.747 1.00 87.05 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 1.884 14.026 14.202 1.00 85.20 2 A 1 ATOM 14 N N . MET A 1 3 ? -1.438 12.861 12.989 1.00 89.51 3 A 1 ATOM 15 C CA . MET A 1 3 ? -2.388 11.762 13.160 1.00 90.93 3 A 1 ATOM 16 C C . MET A 1 3 ? -2.572 11.029 11.829 1.00 91.46 3 A 1 ATOM 17 O O . MET A 1 3 ? -2.912 11.643 10.822 1.00 88.44 3 A 1 ATOM 18 C CB . MET A 1 3 ? -3.724 12.303 13.670 1.00 87.33 3 A 1 ATOM 19 C CG . MET A 1 3 ? -4.623 11.199 14.206 1.00 79.77 3 A 1 ATOM 20 S SD . MET A 1 3 ? -6.120 11.870 14.939 1.00 73.72 3 A 1 ATOM 21 C CE . MET A 1 3 ? -6.873 10.365 15.547 1.00 67.04 3 A 1 ATOM 22 N N . ILE A 1 4 ? -2.342 9.725 11.822 1.00 91.34 4 A 1 ATOM 23 C CA . ILE A 1 4 ? -2.465 8.921 10.610 1.00 91.86 4 A 1 ATOM 24 C C . ILE A 1 4 ? -3.820 8.227 10.583 1.00 92.72 4 A 1 ATOM 25 O O . ILE A 1 4 ? -4.178 7.513 11.522 1.00 91.43 4 A 1 ATOM 26 C CB . ILE A 1 4 ? -1.343 7.883 10.531 1.00 89.52 4 A 1 ATOM 27 C CG1 . ILE A 1 4 ? 0.025 8.558 10.696 1.00 82.68 4 A 1 ATOM 28 C CG2 . ILE A 1 4 ? -1.409 7.130 9.207 1.00 81.17 4 A 1 ATOM 29 C CD1 . ILE A 1 4 ? 0.309 9.606 9.627 1.00 73.79 4 A 1 ATOM 30 N N . SER A 1 5 ? -4.564 8.430 9.505 1.00 93.55 5 A 1 ATOM 31 C CA . SER A 1 5 ? -5.876 7.815 9.356 1.00 94.20 5 A 1 ATOM 32 C C . SER A 1 5 ? -5.750 6.397 8.799 1.00 94.97 5 A 1 ATOM 33 O O . SER A 1 5 ? -4.725 6.036 8.224 1.00 94.54 5 A 1 ATOM 34 C CB . SER A 1 5 ? -6.743 8.658 8.428 1.00 91.67 5 A 1 ATOM 35 O OG . SER A 1 5 ? -8.086 8.209 8.461 1.00 81.23 5 A 1 ATOM 36 N N . TYR A 1 6 ? -6.798 5.596 8.959 1.00 93.72 6 A 1 ATOM 37 C CA . TYR A 1 6 ? -6.797 4.214 8.477 1.00 94.30 6 A 1 ATOM 38 C C . TYR A 1 6 ? -6.595 4.169 6.964 1.00 94.92 6 A 1 ATOM 39 O O . TYR A 1 6 ? -5.885 3.309 6.443 1.00 94.49 6 A 1 ATOM 40 C CB . TYR A 1 6 ? -8.120 3.544 8.856 1.00 93.17 6 A 1 ATOM 41 C CG . TYR A 1 6 ? -8.008 2.034 8.898 1.00 87.52 6 A 1 ATOM 42 C CD1 . TYR A 1 6 ? -8.242 1.272 7.759 1.00 86.04 6 A 1 ATOM 43 C CD2 . TYR A 1 6 ? -7.665 1.385 10.084 1.00 84.60 6 A 1 ATOM 44 C CE1 . TYR A 1 6 ? -8.133 -0.114 7.800 1.00 84.44 6 A 1 ATOM 45 C CE2 . TYR A 1 6 ? -7.558 -0.003 10.129 1.00 84.48 6 A 1 ATOM 46 C CZ . TYR A 1 6 ? -7.793 -0.747 8.984 1.00 85.03 6 A 1 ATOM 47 O OH . TYR A 1 6 ? -7.694 -2.118 9.025 1.00 82.91 6 A 1 ATOM 48 N N . SER A 1 7 ? -7.198 5.119 6.254 1.00 95.08 7 A 1 ATOM 49 C CA . SER A 1 7 ? -7.075 5.197 4.798 1.00 95.49 7 A 1 ATOM 50 C C . SER A 1 7 ? -5.623 5.412 4.378 1.00 96.33 7 A 1 ATOM 51 O O . SER A 1 7 ? -5.162 4.844 3.390 1.00 95.44 7 A 1 ATOM 52 C CB . SER A 1 7 ? -7.945 6.333 4.263 1.00 94.05 7 A 1 ATOM 53 O OG . SER A 1 7 ? -9.296 6.128 4.632 1.00 83.64 7 A 1 ATOM 54 N N . THR A 1 8 ? -4.896 6.218 5.122 1.00 94.25 8 A 1 ATOM 55 C CA . THR A 1 8 ? -3.490 6.501 4.824 1.00 94.86 8 A 1 ATOM 56 C C . THR A 1 8 ? -2.644 5.235 4.946 1.00 95.82 8 A 1 ATOM 57 O O . THR A 1 8 ? -1.740 5.001 4.146 1.00 95.02 8 A 1 ATOM 58 C CB . THR A 1 8 ? -2.941 7.566 5.776 1.00 93.63 8 A 1 ATOM 59 O OG1 . THR A 1 8 ? -3.836 8.670 5.833 1.00 87.37 8 A 1 ATOM 60 C CG2 . THR A 1 8 ? -1.582 8.057 5.309 1.00 86.38 8 A 1 ATOM 61 N N . ILE A 1 9 ? -2.936 4.415 5.938 1.00 95.41 9 A 1 ATOM 62 C CA . ILE A 1 9 ? -2.194 3.172 6.161 1.00 95.43 9 A 1 ATOM 63 C C . ILE A 1 9 ? -2.426 2.200 5.006 1.00 96.15 9 A 1 ATOM 64 O O . ILE A 1 9 ? -1.489 1.576 4.506 1.00 95.71 9 A 1 ATOM 65 C CB . ILE A 1 9 ? -2.616 2.524 7.491 1.00 94.92 9 A 1 ATOM 66 C CG1 . ILE A 1 9 ? -2.286 3.452 8.664 1.00 91.47 9 A 1 ATOM 67 C CG2 . ILE A 1 9 ? -1.902 1.179 7.670 1.00 90.63 9 A 1 ATOM 68 C CD1 . ILE A 1 9 ? -2.958 3.027 9.962 1.00 85.08 9 A 1 ATOM 69 N N . VAL A 1 10 ? -3.670 2.082 4.572 1.00 95.62 10 A 1 ATOM 70 C CA . VAL A 1 10 ? -4.017 1.179 3.469 1.00 95.52 10 A 1 ATOM 71 C C . VAL A 1 10 ? -3.333 1.622 2.178 1.00 96.30 10 A 1 ATOM 72 O O . VAL A 1 10 ? -2.781 0.803 1.439 1.00 96.17 10 A 1 ATOM 73 C CB . VAL A 1 10 ? -5.542 1.129 3.268 1.00 94.65 10 A 1 ATOM 74 C CG1 . VAL A 1 10 ? -5.906 0.245 2.081 1.00 92.42 10 A 1 ATOM 75 C CG2 . VAL A 1 10 ? -6.221 0.600 4.527 1.00 92.13 10 A 1 ATOM 76 N N . VAL A 1 11 ? -3.372 2.909 1.894 1.00 97.03 11 A 1 ATOM 77 C CA . VAL A 1 11 ? -2.749 3.456 0.685 1.00 96.86 11 A 1 ATOM 78 C C . VAL A 1 11 ? -1.237 3.252 0.722 1.00 97.32 11 A 1 ATOM 79 O O . VAL A 1 11 ? -0.623 2.907 -0.291 1.00 97.05 11 A 1 ATOM 80 C CB . VAL A 1 11 ? -3.077 4.952 0.540 1.00 96.06 11 A 1 ATOM 81 C CG1 . VAL A 1 11 ? -2.313 5.566 -0.633 1.00 93.04 11 A 1 ATOM 82 C CG2 . VAL A 1 11 ? -4.573 5.141 0.336 1.00 92.95 11 A 1 ATOM 83 N N . ALA A 1 12 ? -0.638 3.466 1.874 1.00 96.35 12 A 1 ATOM 84 C CA . ALA A 1 12 ? 0.806 3.301 2.029 1.00 96.15 12 A 1 ATOM 85 C C . ALA A 1 12 ? 1.220 1.849 1.794 1.00 96.82 12 A 1 ATOM 86 O O . ALA A 1 12 ? 2.236 1.580 1.154 1.00 96.16 12 A 1 ATOM 87 C CB . ALA A 1 12 ? 1.225 3.754 3.424 1.00 95.61 12 A 1 ATOM 88 N N . LEU A 1 13 ? 0.432 0.914 2.291 1.00 96.63 13 A 1 ATOM 89 C CA . LEU A 1 13 ? 0.717 -0.510 2.124 1.00 96.49 13 A 1 ATOM 90 C C . LEU A 1 13 ? 0.634 -0.909 0.653 1.00 96.94 13 A 1 ATOM 91 O O . LEU A 1 13 ? 1.518 -1.589 0.132 1.00 96.69 13 A 1 ATOM 92 C CB . LEU A 1 13 ? -0.280 -1.337 2.947 1.00 96.25 13 A 1 ATOM 93 C CG . LEU A 1 13 ? 0.221 -2.751 3.245 1.00 89.64 13 A 1 ATOM 94 C CD1 . LEU A 1 13 ? 1.025 -2.760 4.542 1.00 87.56 13 A 1 ATOM 95 C CD2 . LEU A 1 13 ? -0.940 -3.724 3.349 1.00 88.73 13 A 1 ATOM 96 N N . LEU A 1 14 ? -0.423 -0.484 -0.022 1.00 97.41 14 A 1 ATOM 97 C CA . LEU A 1 14 ? -0.621 -0.792 -1.440 1.00 96.91 14 A 1 ATOM 98 C C . LEU A 1 14 ? 0.481 -0.174 -2.293 1.00 97.31 14 A 1 ATOM 99 O O . LEU A 1 14 ? 1.007 -0.817 -3.206 1.00 97.14 14 A 1 ATOM 100 C CB . LEU A 1 14 ? -1.997 -0.271 -1.886 1.00 96.41 14 A 1 ATOM 101 C CG . LEU A 1 14 ? -3.040 -1.383 -2.005 1.00 90.58 14 A 1 ATOM 102 C CD1 . LEU A 1 14 ? -4.421 -0.884 -1.618 1.00 88.63 14 A 1 ATOM 103 C CD2 . LEU A 1 14 ? -3.061 -1.929 -3.424 1.00 89.49 14 A 1 ATOM 104 N N . ALA A 1 15 ? 0.828 1.069 -2.000 1.00 97.41 15 A 1 ATOM 105 C CA . ALA A 1 15 ? 1.873 1.771 -2.742 1.00 97.17 15 A 1 ATOM 106 C C . ALA A 1 15 ? 3.218 1.065 -2.584 1.00 97.57 15 A 1 ATOM 107 O O . ALA A 1 15 ? 3.945 0.876 -3.558 1.00 96.89 15 A 1 ATOM 108 C CB . ALA A 1 15 ? 1.971 3.214 -2.250 1.00 96.49 15 A 1 ATOM 109 N N . SER A 1 16 ? 3.549 0.658 -1.375 1.00 96.96 16 A 1 ATOM 110 C CA . SER A 1 16 ? 4.812 -0.031 -1.106 1.00 96.81 16 A 1 ATOM 111 C C . SER A 1 16 ? 4.872 -1.366 -1.846 1.00 97.12 16 A 1 ATOM 112 O O . SER A 1 16 ? 5.904 -1.731 -2.408 1.00 96.04 16 A 1 ATOM 113 C CB . SER A 1 16 ? 4.970 -0.261 0.397 1.00 95.76 16 A 1 ATOM 114 O OG . SER A 1 16 ? 5.039 0.969 1.089 1.00 87.89 16 A 1 ATOM 115 N N . PHE A 1 17 ? 3.765 -2.097 -1.860 1.00 97.07 17 A 1 ATOM 116 C CA . PHE A 1 17 ? 3.696 -3.387 -2.541 1.00 96.64 17 A 1 ATOM 117 C C . PHE A 1 17 ? 3.874 -3.215 -4.046 1.00 97.00 17 A 1 ATOM 118 O O . PHE A 1 17 ? 4.596 -3.978 -4.687 1.00 96.49 17 A 1 ATOM 119 C CB . PHE A 1 17 ? 2.352 -4.049 -2.238 1.00 96.24 17 A 1 ATOM 120 C CG . PHE A 1 17 ? 2.300 -5.477 -2.722 1.00 94.63 17 A 1 ATOM 121 C CD1 . PHE A 1 17 ? 1.770 -5.782 -3.968 1.00 91.63 17 A 1 ATOM 122 C CD2 . PHE A 1 17 ? 2.798 -6.500 -1.928 1.00 92.58 17 A 1 ATOM 123 C CE1 . PHE A 1 17 ? 1.733 -7.095 -4.421 1.00 90.97 17 A 1 ATOM 124 C CE2 . PHE A 1 17 ? 2.764 -7.818 -2.379 1.00 91.44 17 A 1 ATOM 125 C CZ . PHE A 1 17 ? 2.234 -8.116 -3.626 1.00 91.64 17 A 1 ATOM 126 N N . MET A 1 18 ? 3.220 -2.208 -4.616 1.00 96.83 18 A 1 ATOM 127 C CA . MET A 1 18 ? 3.317 -1.942 -6.055 1.00 96.59 18 A 1 ATOM 128 C C . MET A 1 18 ? 4.734 -1.522 -6.445 1.00 96.74 18 A 1 ATOM 129 O O . MET A 1 18 ? 5.266 -1.987 -7.449 1.00 95.65 18 A 1 ATOM 130 C CB . MET A 1 18 ? 2.321 -0.848 -6.457 1.00 95.98 18 A 1 ATOM 131 C CG . MET A 1 18 ? 0.906 -1.392 -6.618 1.00 91.75 18 A 1 ATOM 132 S SD . MET A 1 18 ? -0.192 -0.236 -7.445 1.00 83.12 18 A 1 ATOM 133 C CE . MET A 1 18 ? -1.552 -1.331 -7.848 1.00 74.38 18 A 1 ATOM 134 N N . ILE A 1 19 ? 5.343 -0.650 -5.658 1.00 97.35 19 A 1 ATOM 135 C CA . ILE A 1 19 ? 6.699 -0.171 -5.936 1.00 96.98 19 A 1 ATOM 136 C C . ILE A 1 19 ? 7.694 -1.331 -5.891 1.00 96.87 19 A 1 ATOM 137 O O . ILE A 1 19 ? 8.568 -1.448 -6.753 1.00 96.19 19 A 1 ATOM 138 C CB . ILE A 1 19 ? 7.100 0.916 -4.923 1.00 96.30 19 A 1 ATOM 139 C CG1 . ILE A 1 19 ? 6.210 2.157 -5.080 1.00 94.60 19 A 1 ATOM 140 C CG2 . ILE A 1 19 ? 8.569 1.307 -5.120 1.00 93.70 19 A 1 ATOM 141 C CD1 . ILE A 1 19 ? 6.260 3.076 -3.874 1.00 88.17 19 A 1 ATOM 142 N N . CYS A 1 20 ? 7.555 -2.190 -4.900 1.00 96.82 20 A 1 ATOM 143 C CA . CYS A 1 20 ? 8.454 -3.337 -4.752 1.00 96.46 20 A 1 ATOM 144 C C . CYS A 1 20 ? 8.270 -4.332 -5.900 1.00 96.50 20 A 1 ATOM 145 O O . CYS A 1 20 ? 9.238 -4.897 -6.403 1.00 94.98 20 A 1 ATOM 146 C CB . CYS A 1 20 ? 8.188 -4.018 -3.407 1.00 94.90 20 A 1 ATOM 147 S SG . CYS A 1 20 ? 9.485 -5.201 -2.988 1.00 89.36 20 A 1 ATOM 148 N N . SER A 1 21 ? 7.027 -4.532 -6.322 1.00 96.03 21 A 1 ATOM 149 C CA . SER A 1 21 ? 6.717 -5.462 -7.409 1.00 95.94 21 A 1 ATOM 150 C C . SER A 1 21 ? 7.243 -4.948 -8.748 1.00 95.94 21 A 1 ATOM 151 O O . SER A 1 21 ? 7.771 -5.715 -9.554 1.00 94.19 21 A 1 ATOM 152 C CB . SER A 1 21 ? 5.204 -5.678 -7.495 1.00 94.43 21 A 1 ATOM 153 O OG . SER A 1 21 ? 4.909 -6.672 -8.452 1.00 84.30 21 A 1 ATOM 154 N N . VAL A 1 22 ? 7.093 -3.654 -8.999 1.00 96.24 22 A 1 ATOM 155 C CA . VAL A 1 22 ? 7.558 -3.046 -10.251 1.00 95.78 22 A 1 ATOM 156 C C . VAL A 1 22 ? 9.083 -3.026 -10.312 1.00 95.66 22 A 1 ATOM 157 O O . VAL A 1 22 ? 9.673 -3.191 -11.384 1.00 93.85 22 A 1 ATOM 158 C CB . VAL A 1 22 ? 7.008 -1.616 -10.396 1.00 93.89 22 A 1 ATOM 159 C CG1 . VAL A 1 22 ? 7.601 -0.922 -11.619 1.00 87.27 22 A 1 ATOM 160 C CG2 . VAL A 1 22 ? 5.490 -1.647 -10.514 1.00 87.30 22 A 1 ATOM 161 N N . SER A 1 23 ? 9.719 -2.827 -9.174 1.00 92.81 23 A 1 ATOM 162 C CA . SER A 1 23 ? 11.182 -2.767 -9.097 1.00 92.20 23 A 1 ATOM 163 C C . SER A 1 23 ? 11.818 -4.150 -9.249 1.00 91.40 23 A 1 ATOM 164 O O . SER A 1 23 ? 13.018 -4.259 -9.500 1.00 88.46 23 A 1 ATOM 165 C CB . SER A 1 23 ? 11.611 -2.146 -7.766 1.00 89.28 23 A 1 ATOM 166 O OG . SER A 1 23 ? 13.007 -1.949 -7.742 1.00 78.03 23 A 1 ATOM 167 N N . ALA A 1 24 ? 11.025 -5.213 -9.111 1.00 92.31 24 A 1 ATOM 168 C CA . ALA A 1 24 ? 11.524 -6.582 -9.193 1.00 89.67 24 A 1 ATOM 169 C C . ALA A 1 24 ? 12.247 -6.849 -10.515 1.00 86.22 24 A 1 ATOM 170 O O . ALA A 1 24 ? 11.780 -6.376 -11.559 1.00 81.72 24 A 1 ATOM 171 C CB . ALA A 1 24 ? 10.374 -7.565 -9.007 1.00 84.01 24 A 1 ATOM 172 O OXT . ALA A 1 24 ? 13.275 -7.552 -10.498 1.00 75.48 24 A 1 #