# 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_spkb29637 # _entry.id spkb29637 # 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 PHE 2 1 n VAL 3 1 n LEU 4 1 n SER 5 1 n THR 6 1 n ALA 7 1 n MET 8 1 n ALA 9 1 n CYS 10 1 n LEU 11 1 n VAL 12 1 n TYR 13 1 n ILE 14 1 n TYR 15 1 n ILE 16 1 n TYR 17 1 n ILE 18 1 n TYR 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 13:46:50)" _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 91.58 _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 83.46 1 1 A PHE 2 2 82.51 1 2 A VAL 3 2 90.11 1 3 A LEU 4 2 86.88 1 4 A SER 5 2 90.51 1 5 A THR 6 2 94.21 1 6 A ALA 7 2 96.24 1 7 A MET 8 2 90.56 1 8 A ALA 9 2 95.87 1 9 A CYS 10 2 93.36 1 10 A LEU 11 2 93.69 1 11 A VAL 12 2 95.86 1 12 A TYR 13 2 93.07 1 13 A ILE 14 2 94.85 1 14 A TYR 15 2 93.01 1 15 A ILE 16 2 95.74 1 16 A TYR 17 2 92.04 1 17 A ILE 18 2 93.73 1 18 A TYR 19 2 90.72 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 PHE . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n MET . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n TYR . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n TYR . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n TYR . 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 ? -4.664 13.663 0.349 1.00 88.10 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.606 12.846 -0.874 1.00 90.23 1 A 1 ATOM 3 C C . MET A 1 1 ? -3.444 11.863 -0.823 1.00 91.64 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.605 10.684 -1.136 1.00 90.14 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.479 13.739 -2.111 1.00 85.43 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.583 12.965 -3.417 1.00 78.95 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.599 14.046 -4.843 1.00 75.60 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.421 12.837 -6.162 1.00 67.56 1 A 1 ATOM 9 N N . PHE A 1 2 ? -2.278 12.345 -0.432 1.00 86.40 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -1.102 11.492 -0.322 1.00 89.42 2 A 1 ATOM 11 C C . PHE A 1 2 ? -1.260 10.457 0.777 1.00 93.04 2 A 1 ATOM 12 O O . PHE A 1 2 ? -0.903 9.292 0.599 1.00 91.32 2 A 1 ATOM 13 C CB . PHE A 1 2 ? 0.138 12.343 -0.045 1.00 86.27 2 A 1 ATOM 14 C CG . PHE A 1 2 ? 0.851 12.762 -1.302 1.00 80.92 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? 1.746 11.905 -1.912 1.00 79.21 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? 0.627 14.003 -1.856 1.00 77.35 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? 2.411 12.279 -3.068 1.00 75.08 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? 1.286 14.389 -3.016 1.00 75.58 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? 2.178 13.526 -3.620 1.00 73.02 2 A 1 ATOM 20 N N . VAL A 1 3 ? -1.796 10.876 1.907 1.00 90.83 3 A 1 ATOM 21 C CA . VAL A 1 3 ? -2.000 9.976 3.042 1.00 93.13 3 A 1 ATOM 22 C C . VAL A 1 3 ? -2.946 8.841 2.671 1.00 94.72 3 A 1 ATOM 23 O O . VAL A 1 3 ? -2.691 7.675 2.987 1.00 93.45 3 A 1 ATOM 24 C CB . VAL A 1 3 ? -2.552 10.728 4.263 1.00 90.47 3 A 1 ATOM 25 C CG1 . VAL A 1 3 ? -2.662 9.791 5.453 1.00 82.65 3 A 1 ATOM 26 C CG2 . VAL A 1 3 ? -1.669 11.911 4.602 1.00 85.55 3 A 1 ATOM 27 N N . LEU A 1 4 ? -4.034 9.182 2.000 1.00 91.41 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -5.018 8.191 1.581 1.00 92.11 4 A 1 ATOM 29 C C . LEU A 1 4 ? -4.484 7.321 0.456 1.00 93.44 4 A 1 ATOM 30 O O . LEU A 1 4 ? -4.584 6.091 0.508 1.00 92.79 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -6.306 8.886 1.136 1.00 90.82 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -7.293 9.156 2.264 1.00 81.27 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -8.263 10.254 1.869 1.00 76.79 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -8.047 7.884 2.602 1.00 76.45 4 A 1 ATOM 35 N N . SER A 1 5 ? -3.928 7.942 -0.569 1.00 92.55 5 A 1 ATOM 36 C CA . SER A 1 5 ? -3.383 7.224 -1.715 1.00 93.57 5 A 1 ATOM 37 C C . SER A 1 5 ? -2.194 6.362 -1.314 1.00 94.95 5 A 1 ATOM 38 O O . SER A 1 5 ? -2.063 5.223 -1.760 1.00 93.58 5 A 1 ATOM 39 C CB . SER A 1 5 ? -2.972 8.206 -2.807 1.00 90.85 5 A 1 ATOM 40 O OG . SER A 1 5 ? -4.098 8.889 -3.314 1.00 77.55 5 A 1 ATOM 41 N N . THR A 1 6 ? -1.334 6.903 -0.465 1.00 96.54 6 A 1 ATOM 42 C CA . THR A 1 6 ? -0.149 6.181 -0.008 1.00 96.80 6 A 1 ATOM 43 C C . THR A 1 6 ? -0.544 4.960 0.813 1.00 97.12 6 A 1 ATOM 44 O O . THR A 1 6 ? 0.064 3.896 0.697 1.00 95.80 6 A 1 ATOM 45 C CB . THR A 1 6 ? 0.757 7.088 0.836 1.00 95.73 6 A 1 ATOM 46 O OG1 . THR A 1 6 ? 1.105 8.248 0.091 1.00 88.68 6 A 1 ATOM 47 C CG2 . THR A 1 6 ? 2.031 6.355 1.224 1.00 88.80 6 A 1 ATOM 48 N N . ALA A 1 7 ? -1.556 5.120 1.646 1.00 96.26 7 A 1 ATOM 49 C CA . ALA A 1 7 ? -2.031 4.030 2.485 1.00 96.42 7 A 1 ATOM 50 C C . ALA A 1 7 ? -2.549 2.875 1.634 1.00 97.00 7 A 1 ATOM 51 O O . ALA A 1 7 ? -2.286 1.709 1.926 1.00 95.98 7 A 1 ATOM 52 C CB . ALA A 1 7 ? -3.127 4.531 3.415 1.00 95.53 7 A 1 ATOM 53 N N . MET A 1 8 ? -3.279 3.200 0.583 1.00 96.25 8 A 1 ATOM 54 C CA . MET A 1 8 ? -3.826 2.192 -0.322 1.00 96.12 8 A 1 ATOM 55 C C . MET A 1 8 ? -2.712 1.485 -1.076 1.00 96.55 8 A 1 ATOM 56 O O . MET A 1 8 ? -2.740 0.266 -1.246 1.00 95.75 8 A 1 ATOM 57 C CB . MET A 1 8 ? -4.793 2.844 -1.309 1.00 95.42 8 A 1 ATOM 58 C CG . MET A 1 8 ? -6.051 3.360 -0.644 1.00 89.68 8 A 1 ATOM 59 S SD . MET A 1 8 ? -7.190 2.061 -0.204 1.00 81.51 8 A 1 ATOM 60 C CE . MET A 1 8 ? -8.079 1.880 -1.753 1.00 73.19 8 A 1 ATOM 61 N N . ALA A 1 9 ? -1.739 2.249 -1.520 1.00 95.86 9 A 1 ATOM 62 C CA . ALA A 1 9 ? -0.602 1.698 -2.247 1.00 95.96 9 A 1 ATOM 63 C C . ALA A 1 9 ? 0.215 0.769 -1.359 1.00 96.90 9 A 1 ATOM 64 O O . ALA A 1 9 ? 0.705 -0.264 -1.813 1.00 95.76 9 A 1 ATOM 65 C CB . ALA A 1 9 ? 0.277 2.827 -2.771 1.00 94.85 9 A 1 ATOM 66 N N . CYS A 1 10 ? 0.361 1.136 -0.095 1.00 95.00 10 A 1 ATOM 67 C CA . CYS A 1 10 ? 1.109 0.332 0.865 1.00 95.21 10 A 1 ATOM 68 C C . CYS A 1 10 ? 0.419 -1.008 1.099 1.00 96.17 10 A 1 ATOM 69 O O . CYS A 1 10 ? 1.077 -2.033 1.258 1.00 94.44 10 A 1 ATOM 70 C CB . CYS A 1 10 ? 1.248 1.085 2.189 1.00 93.74 10 A 1 ATOM 71 S SG . CYS A 1 10 ? 2.561 2.322 2.160 1.00 85.58 10 A 1 ATOM 72 N N . LEU A 1 11 ? -0.900 -0.983 1.123 1.00 96.47 11 A 1 ATOM 73 C CA . LEU A 1 11 ? -1.682 -2.193 1.329 1.00 96.64 11 A 1 ATOM 74 C C . LEU A 1 11 ? -1.452 -3.183 0.198 1.00 97.32 11 A 1 ATOM 75 O O . LEU A 1 11 ? -1.206 -4.369 0.434 1.00 96.96 11 A 1 ATOM 76 C CB . LEU A 1 11 ? -3.166 -1.840 1.428 1.00 96.11 11 A 1 ATOM 77 C CG . LEU A 1 11 ? -3.827 -2.234 2.743 1.00 90.83 11 A 1 ATOM 78 C CD1 . LEU A 1 11 ? -5.167 -1.532 2.893 1.00 87.07 11 A 1 ATOM 79 C CD2 . LEU A 1 11 ? -4.002 -3.735 2.823 1.00 88.16 11 A 1 ATOM 80 N N . VAL A 1 12 ? -1.539 -2.699 -1.030 1.00 96.90 12 A 1 ATOM 81 C CA . VAL A 1 12 ? -1.322 -3.531 -2.210 1.00 96.97 12 A 1 ATOM 82 C C . VAL A 1 12 ? 0.125 -3.995 -2.278 1.00 97.46 12 A 1 ATOM 83 O O . VAL A 1 12 ? 0.410 -5.121 -2.701 1.00 97.04 12 A 1 ATOM 84 C CB . VAL A 1 12 ? -1.679 -2.768 -3.496 1.00 96.18 12 A 1 ATOM 85 C CG1 . VAL A 1 12 ? -1.498 -3.655 -4.719 1.00 93.20 12 A 1 ATOM 86 C CG2 . VAL A 1 12 ? -3.103 -2.250 -3.426 1.00 93.27 12 A 1 ATOM 87 N N . TYR A 1 13 ? 1.017 -3.134 -1.861 1.00 96.86 13 A 1 ATOM 88 C CA . TYR A 1 13 ? 2.446 -3.438 -1.872 1.00 96.82 13 A 1 ATOM 89 C C . TYR A 1 13 ? 2.749 -4.649 -0.990 1.00 97.37 13 A 1 ATOM 90 O O . TYR A 1 13 ? 3.509 -5.539 -1.370 1.00 96.99 13 A 1 ATOM 91 C CB . TYR A 1 13 ? 3.234 -2.224 -1.381 1.00 96.26 13 A 1 ATOM 92 C CG . TYR A 1 13 ? 4.720 -2.488 -1.255 1.00 93.33 13 A 1 ATOM 93 C CD1 . TYR A 1 13 ? 5.515 -2.605 -2.392 1.00 91.13 13 A 1 ATOM 94 C CD2 . TYR A 1 13 ? 5.320 -2.602 -0.012 1.00 90.82 13 A 1 ATOM 95 C CE1 . TYR A 1 13 ? 6.878 -2.839 -2.279 1.00 89.08 13 A 1 ATOM 96 C CE2 . TYR A 1 13 ? 6.682 -2.840 0.107 1.00 89.85 13 A 1 ATOM 97 C CZ . TYR A 1 13 ? 7.456 -2.959 -1.029 1.00 89.86 13 A 1 ATOM 98 O OH . TYR A 1 13 ? 8.805 -3.200 -0.915 1.00 88.51 13 A 1 ATOM 99 N N . ILE A 1 14 ? 2.159 -4.678 0.183 1.00 96.78 14 A 1 ATOM 100 C CA . ILE A 1 14 ? 2.353 -5.781 1.115 1.00 96.50 14 A 1 ATOM 101 C C . ILE A 1 14 ? 1.608 -7.023 0.637 1.00 97.04 14 A 1 ATOM 102 O O . ILE A 1 14 ? 2.061 -8.153 0.841 1.00 96.34 14 A 1 ATOM 103 C CB . ILE A 1 14 ? 1.883 -5.394 2.531 1.00 96.10 14 A 1 ATOM 104 C CG1 . ILE A 1 14 ? 2.661 -4.182 3.046 1.00 93.52 14 A 1 ATOM 105 C CG2 . ILE A 1 14 ? 2.065 -6.565 3.490 1.00 92.90 14 A 1 ATOM 106 C CD1 . ILE A 1 14 ? 1.984 -3.495 4.207 1.00 89.62 14 A 1 ATOM 107 N N . TYR A 1 15 ? 0.476 -6.813 0.003 1.00 96.26 15 A 1 ATOM 108 C CA . TYR A 1 15 ? -0.340 -7.912 -0.508 1.00 96.11 15 A 1 ATOM 109 C C . TYR A 1 15 ? 0.422 -8.730 -1.541 1.00 96.62 15 A 1 ATOM 110 O O . TYR A 1 15 ? 0.452 -9.962 -1.474 1.00 96.56 15 A 1 ATOM 111 C CB . TYR A 1 15 ? -1.621 -7.361 -1.126 1.00 95.97 15 A 1 ATOM 112 C CG . TYR A 1 15 ? -2.787 -7.340 -0.162 1.00 93.35 15 A 1 ATOM 113 C CD1 . TYR A 1 15 ? -2.654 -6.782 1.102 1.00 91.36 15 A 1 ATOM 114 C CD2 . TYR A 1 15 ? -4.015 -7.879 -0.522 1.00 91.13 15 A 1 ATOM 115 C CE1 . TYR A 1 15 ? -3.717 -6.762 1.988 1.00 89.58 15 A 1 ATOM 116 C CE2 . TYR A 1 15 ? -5.088 -7.859 0.354 1.00 90.15 15 A 1 ATOM 117 C CZ . TYR A 1 15 ? -4.934 -7.301 1.610 1.00 90.09 15 A 1 ATOM 118 O OH . TYR A 1 15 ? -5.989 -7.283 2.485 1.00 88.93 15 A 1 ATOM 119 N N . ILE A 1 16 ? 1.034 -8.054 -2.492 1.00 97.25 16 A 1 ATOM 120 C CA . ILE A 1 16 ? 1.790 -8.725 -3.540 1.00 96.98 16 A 1 ATOM 121 C C . ILE A 1 16 ? 3.047 -9.382 -2.980 1.00 97.11 16 A 1 ATOM 122 O O . ILE A 1 16 ? 3.548 -10.357 -3.541 1.00 96.35 16 A 1 ATOM 123 C CB . ILE A 1 16 ? 2.181 -7.742 -4.661 1.00 96.64 16 A 1 ATOM 124 C CG1 . ILE A 1 16 ? 2.927 -6.536 -4.102 1.00 94.72 16 A 1 ATOM 125 C CG2 . ILE A 1 16 ? 0.940 -7.306 -5.430 1.00 94.54 16 A 1 ATOM 126 C CD1 . ILE A 1 16 ? 3.605 -5.702 -5.165 1.00 92.31 16 A 1 ATOM 127 N N . TYR A 1 17 ? 3.553 -8.844 -1.882 1.00 97.31 17 A 1 ATOM 128 C CA . TYR A 1 17 ? 4.757 -9.378 -1.251 1.00 96.96 17 A 1 ATOM 129 C C . TYR A 1 17 ? 4.450 -10.650 -0.469 1.00 97.01 17 A 1 ATOM 130 O O . TYR A 1 17 ? 5.222 -11.610 -0.494 1.00 96.32 17 A 1 ATOM 131 C CB . TYR A 1 17 ? 5.370 -8.332 -0.323 1.00 96.35 17 A 1 ATOM 132 C CG . TYR A 1 17 ? 6.490 -7.537 -0.968 1.00 91.07 17 A 1 ATOM 133 C CD1 . TYR A 1 17 ? 6.323 -6.962 -2.218 1.00 89.59 17 A 1 ATOM 134 C CD2 . TYR A 1 17 ? 7.710 -7.377 -0.320 1.00 88.27 17 A 1 ATOM 135 C CE1 . TYR A 1 17 ? 7.347 -6.245 -2.816 1.00 88.27 17 A 1 ATOM 136 C CE2 . TYR A 1 17 ? 8.738 -6.658 -0.907 1.00 88.91 17 A 1 ATOM 137 C CZ . TYR A 1 17 ? 8.550 -6.092 -2.156 1.00 87.80 17 A 1 ATOM 138 O OH . TYR A 1 17 ? 9.565 -5.381 -2.748 1.00 86.62 17 A 1 ATOM 139 N N . ILE A 1 18 ? 3.329 -10.655 0.234 1.00 96.71 18 A 1 ATOM 140 C CA . ILE A 1 18 ? 2.915 -11.808 1.017 1.00 96.20 18 A 1 ATOM 141 C C . ILE A 1 18 ? 2.190 -12.832 0.153 1.00 96.29 18 A 1 ATOM 142 O O . ILE A 1 18 ? 2.454 -14.037 0.243 1.00 95.25 18 A 1 ATOM 143 C CB . ILE A 1 18 ? 2.013 -11.382 2.189 1.00 95.31 18 A 1 ATOM 144 C CG1 . ILE A 1 18 ? 2.756 -10.417 3.106 1.00 91.76 18 A 1 ATOM 145 C CG2 . ILE A 1 18 ? 1.564 -12.612 2.972 1.00 90.38 18 A 1 ATOM 146 C CD1 . ILE A 1 18 ? 1.854 -9.750 4.125 1.00 87.93 18 A 1 ATOM 147 N N . TYR A 1 19 ? 1.273 -12.346 -0.648 1.00 96.85 19 A 1 ATOM 148 C CA . TYR A 1 19 ? 0.486 -13.201 -1.537 1.00 95.12 19 A 1 ATOM 149 C C . TYR A 1 19 ? 1.282 -13.564 -2.782 1.00 92.39 19 A 1 ATOM 150 O O . TYR A 1 19 ? 1.190 -14.715 -3.234 1.00 90.14 19 A 1 ATOM 151 C CB . TYR A 1 19 ? -0.811 -12.493 -1.934 1.00 92.98 19 A 1 ATOM 152 C CG . TYR A 1 19 ? -1.829 -12.427 -0.824 1.00 91.20 19 A 1 ATOM 153 C CD1 . TYR A 1 19 ? -1.671 -11.552 0.240 1.00 90.54 19 A 1 ATOM 154 C CD2 . TYR A 1 19 ? -2.948 -13.251 -0.845 1.00 88.95 19 A 1 ATOM 155 C CE1 . TYR A 1 19 ? -2.599 -11.500 1.258 1.00 89.13 19 A 1 ATOM 156 C CE2 . TYR A 1 19 ? -3.881 -13.205 0.164 1.00 90.93 19 A 1 ATOM 157 C CZ . TYR A 1 19 ? -3.705 -12.328 1.214 1.00 89.34 19 A 1 ATOM 158 O OH . TYR A 1 19 ? -4.626 -12.272 2.222 1.00 85.95 19 A 1 ATOM 159 O OXT . TYR A 1 19 ? 1.969 -12.698 -3.309 1.00 85.82 19 A 1 #