# 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_spkb26494 # _entry.id spkb26494 # 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 "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 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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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 MET 2 1 n LYS 3 1 n MET 4 1 n THR 5 1 n MET 6 1 n LYS 7 1 n MET 8 1 n MET 9 1 n VAL 10 1 n HIS 11 1 n ILE 12 1 n TYR 13 1 n PHE 14 1 n VAL 15 1 n SER 16 1 n LEU 17 1 n LEU 18 1 n LEU 19 1 n LEU 20 1 n LEU 21 1 n PHE 22 # _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 17:52:40)" _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 82.23 _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 74.39 1 1 A MET 2 2 76.32 1 2 A LYS 3 2 75.08 1 3 A MET 4 2 76.83 1 4 A THR 5 2 81.00 1 5 A MET 6 2 81.60 1 6 A LYS 7 2 80.64 1 7 A MET 8 2 81.67 1 8 A MET 9 2 81.88 1 9 A VAL 10 2 86.31 1 10 A HIS 11 2 80.67 1 11 A ILE 12 2 86.14 1 12 A TYR 13 2 82.12 1 13 A PHE 14 2 83.91 1 14 A VAL 15 2 88.01 1 15 A SER 16 2 87.20 1 16 A LEU 17 2 85.85 1 17 A LEU 18 2 87.46 1 18 A LEU 19 2 88.01 1 19 A LEU 20 2 86.05 1 20 A LEU 21 2 83.62 1 21 A PHE 22 2 79.10 1 22 # _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 LYS . 3 A 3 A 4 1 n MET . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n MET . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n MET . 8 A 8 A 9 1 n MET . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n HIS . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n PHE . 22 A 22 # _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 ? 3.499 4.513 16.781 1.00 80.24 1 A 1 ATOM 2 C CA . MET A 1 1 ? 4.356 4.035 15.677 1.00 82.86 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.645 3.011 14.789 1.00 83.35 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.708 3.150 13.575 1.00 79.53 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.690 3.498 16.220 1.00 77.78 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.538 4.669 16.765 1.00 69.35 1 A 1 ATOM 7 S SD . MET A 1 1 ? 8.102 4.143 17.495 1.00 63.01 1 A 1 ATOM 8 C CE . MET A 1 1 ? 8.802 5.738 17.961 1.00 59.03 1 A 1 ATOM 9 N N . MET A 1 2 ? 2.887 2.076 15.344 1.00 83.80 2 A 1 ATOM 10 C CA . MET A 1 2 ? 2.118 1.083 14.560 1.00 84.56 2 A 1 ATOM 11 C C . MET A 1 2 ? 1.182 1.695 13.506 1.00 85.37 2 A 1 ATOM 12 O O . MET A 1 2 ? 1.005 1.126 12.431 1.00 81.67 2 A 1 ATOM 13 C CB . MET A 1 2 ? 1.284 0.205 15.512 1.00 79.88 2 A 1 ATOM 14 C CG . MET A 1 2 ? 2.028 -1.066 15.916 1.00 71.97 2 A 1 ATOM 15 S SD . MET A 1 2 ? 1.059 -2.073 17.057 1.00 64.54 2 A 1 ATOM 16 C CE . MET A 1 2 ? 1.948 -3.634 16.954 1.00 58.75 2 A 1 ATOM 17 N N . LYS A 1 3 ? 0.611 2.871 13.762 1.00 80.79 3 A 1 ATOM 18 C CA . LYS A 1 3 ? -0.300 3.528 12.813 1.00 83.71 3 A 1 ATOM 19 C C . LYS A 1 3 ? 0.368 3.870 11.475 1.00 84.68 3 A 1 ATOM 20 O O . LYS A 1 3 ? -0.305 3.852 10.448 1.00 82.01 3 A 1 ATOM 21 C CB . LYS A 1 3 ? -0.905 4.794 13.443 1.00 81.71 3 A 1 ATOM 22 C CG . LYS A 1 3 ? -1.955 4.472 14.519 1.00 72.87 3 A 1 ATOM 23 C CD . LYS A 1 3 ? -2.636 5.753 15.014 1.00 69.84 3 A 1 ATOM 24 C CE . LYS A 1 3 ? -3.740 5.424 16.025 1.00 62.96 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? -4.432 6.637 16.522 1.00 57.13 3 A 1 ATOM 26 N N . MET A 1 4 ? 1.660 4.187 11.479 1.00 84.74 4 A 1 ATOM 27 C CA . MET A 1 4 ? 2.392 4.494 10.245 1.00 84.86 4 A 1 ATOM 28 C C . MET A 1 4 ? 2.619 3.235 9.412 1.00 86.07 4 A 1 ATOM 29 O O . MET A 1 4 ? 2.396 3.258 8.206 1.00 83.02 4 A 1 ATOM 30 C CB . MET A 1 4 ? 3.726 5.188 10.559 1.00 81.49 4 A 1 ATOM 31 C CG . MET A 1 4 ? 3.507 6.640 11.009 1.00 72.39 4 A 1 ATOM 32 S SD . MET A 1 4 ? 5.062 7.543 11.230 1.00 63.88 4 A 1 ATOM 33 C CE . MET A 1 4 ? 4.444 9.200 11.530 1.00 58.23 4 A 1 ATOM 34 N N . THR A 1 5 ? 2.971 2.135 10.051 1.00 84.65 5 A 1 ATOM 35 C CA . THR A 1 5 ? 3.179 0.851 9.380 1.00 86.17 5 A 1 ATOM 36 C C . THR A 1 5 ? 1.886 0.352 8.735 1.00 87.40 5 A 1 ATOM 37 O O . THR A 1 5 ? 1.897 -0.076 7.583 1.00 85.86 5 A 1 ATOM 38 C CB . THR A 1 5 ? 3.706 -0.188 10.382 1.00 84.22 5 A 1 ATOM 39 O OG1 . THR A 1 5 ? 4.727 0.379 11.181 1.00 70.24 5 A 1 ATOM 40 C CG2 . THR A 1 5 ? 4.282 -1.406 9.679 1.00 68.47 5 A 1 ATOM 41 N N . MET A 1 6 ? 0.762 0.481 9.426 1.00 89.09 6 A 1 ATOM 42 C CA . MET A 1 6 ? -0.548 0.113 8.883 1.00 88.89 6 A 1 ATOM 43 C C . MET A 1 6 ? -0.921 0.979 7.675 1.00 89.26 6 A 1 ATOM 44 O O . MET A 1 6 ? -1.421 0.462 6.679 1.00 86.74 6 A 1 ATOM 45 C CB . MET A 1 6 ? -1.616 0.227 9.980 1.00 87.44 6 A 1 ATOM 46 C CG . MET A 1 6 ? -1.449 -0.860 11.049 1.00 79.19 6 A 1 ATOM 47 S SD . MET A 1 6 ? -1.667 -2.534 10.413 1.00 69.52 6 A 1 ATOM 48 C CE . MET A 1 6 ? -3.102 -3.067 11.343 1.00 62.67 6 A 1 ATOM 49 N N . LYS A 1 7 ? -0.622 2.272 7.712 1.00 89.70 7 A 1 ATOM 50 C CA . LYS A 1 7 ? -0.841 3.156 6.564 1.00 90.22 7 A 1 ATOM 51 C C . LYS A 1 7 ? 0.002 2.726 5.361 1.00 90.62 7 A 1 ATOM 52 O O . LYS A 1 7 ? -0.525 2.663 4.256 1.00 88.59 7 A 1 ATOM 53 C CB . LYS A 1 7 ? -0.540 4.609 6.934 1.00 88.72 7 A 1 ATOM 54 C CG . LYS A 1 7 ? -1.644 5.220 7.804 1.00 79.12 7 A 1 ATOM 55 C CD . LYS A 1 7 ? -1.281 6.664 8.151 1.00 74.04 7 A 1 ATOM 56 C CE . LYS A 1 7 ? -2.395 7.325 8.968 1.00 65.60 7 A 1 ATOM 57 N NZ . LYS A 1 7 ? -2.147 8.776 9.128 1.00 59.14 7 A 1 ATOM 58 N N . MET A 1 8 ? 1.266 2.385 5.578 1.00 89.67 8 A 1 ATOM 59 C CA . MET A 1 8 ? 2.136 1.884 4.510 1.00 89.01 8 A 1 ATOM 60 C C . MET A 1 8 ? 1.590 0.592 3.898 1.00 89.86 8 A 1 ATOM 61 O O . MET A 1 8 ? 1.555 0.468 2.679 1.00 86.93 8 A 1 ATOM 62 C CB . MET A 1 8 ? 3.554 1.660 5.040 1.00 87.35 8 A 1 ATOM 63 C CG . MET A 1 8 ? 4.288 2.986 5.244 1.00 78.75 8 A 1 ATOM 64 S SD . MET A 1 8 ? 5.966 2.767 5.890 1.00 68.76 8 A 1 ATOM 65 C CE . MET A 1 8 ? 6.648 4.389 5.548 1.00 62.99 8 A 1 ATOM 66 N N . MET A 1 9 ? 1.100 -0.331 4.717 1.00 88.99 9 A 1 ATOM 67 C CA . MET A 1 9 ? 0.488 -1.568 4.228 1.00 89.10 9 A 1 ATOM 68 C C . MET A 1 9 ? -0.753 -1.291 3.376 1.00 89.68 9 A 1 ATOM 69 O O . MET A 1 9 ? -0.910 -1.890 2.316 1.00 87.39 9 A 1 ATOM 70 C CB . MET A 1 9 ? 0.123 -2.482 5.400 1.00 88.49 9 A 1 ATOM 71 C CG . MET A 1 9 ? 1.369 -3.079 6.054 1.00 79.42 9 A 1 ATOM 72 S SD . MET A 1 9 ? 0.979 -4.181 7.434 1.00 68.83 9 A 1 ATOM 73 C CE . MET A 1 9 ? 2.623 -4.775 7.837 1.00 63.14 9 A 1 ATOM 74 N N . VAL A 1 10 ? -1.580 -0.355 3.790 1.00 89.14 10 A 1 ATOM 75 C CA . VAL A 1 10 ? -2.760 0.054 3.018 1.00 89.23 10 A 1 ATOM 76 C C . VAL A 1 10 ? -2.353 0.686 1.686 1.00 89.88 10 A 1 ATOM 77 O O . VAL A 1 10 ? -2.964 0.392 0.662 1.00 88.02 10 A 1 ATOM 78 C CB . VAL A 1 10 ? -3.643 1.003 3.841 1.00 88.12 10 A 1 ATOM 79 C CG1 . VAL A 1 10 ? -4.789 1.580 3.018 1.00 79.55 10 A 1 ATOM 80 C CG2 . VAL A 1 10 ? -4.255 0.262 5.028 1.00 80.25 10 A 1 ATOM 81 N N . HIS A 1 11 ? -1.307 1.499 1.670 1.00 88.49 11 A 1 ATOM 82 C CA . HIS A 1 11 ? -0.791 2.076 0.431 1.00 88.50 11 A 1 ATOM 83 C C . HIS A 1 11 ? -0.271 0.998 -0.524 1.00 89.33 11 A 1 ATOM 84 O O . HIS A 1 11 ? -0.585 1.043 -1.709 1.00 88.09 11 A 1 ATOM 85 C CB . HIS A 1 11 ? 0.305 3.097 0.744 1.00 87.58 11 A 1 ATOM 86 C CG . HIS A 1 11 ? -0.243 4.412 1.207 1.00 78.81 11 A 1 ATOM 87 N ND1 . HIS A 1 11 ? -0.965 5.289 0.428 1.00 69.96 11 A 1 ATOM 88 C CD2 . HIS A 1 11 ? -0.128 4.979 2.446 1.00 71.80 11 A 1 ATOM 89 C CE1 . HIS A 1 11 ? -1.276 6.351 1.186 1.00 70.96 11 A 1 ATOM 90 N NE2 . HIS A 1 11 ? -0.786 6.206 2.423 1.00 73.14 11 A 1 ATOM 91 N N . ILE A 1 12 ? 0.465 0.024 -0.021 1.00 89.77 12 A 1 ATOM 92 C CA . ILE A 1 12 ? 0.953 -1.093 -0.835 1.00 89.95 12 A 1 ATOM 93 C C . ILE A 1 12 ? -0.229 -1.883 -1.406 1.00 90.63 12 A 1 ATOM 94 O O . ILE A 1 12 ? -0.256 -2.161 -2.602 1.00 88.88 12 A 1 ATOM 95 C CB . ILE A 1 12 ? 1.899 -1.991 -0.009 1.00 89.34 12 A 1 ATOM 96 C CG1 . ILE A 1 12 ? 3.194 -1.225 0.344 1.00 82.80 12 A 1 ATOM 97 C CG2 . ILE A 1 12 ? 2.252 -3.270 -0.790 1.00 81.56 12 A 1 ATOM 98 C CD1 . ILE A 1 12 ? 4.011 -1.894 1.448 1.00 76.19 12 A 1 ATOM 99 N N . TYR A 1 13 ? -1.212 -2.193 -0.582 1.00 88.71 13 A 1 ATOM 100 C CA . TYR A 1 13 ? -2.416 -2.893 -1.021 1.00 88.33 13 A 1 ATOM 101 C C . TYR A 1 13 ? -3.163 -2.115 -2.112 1.00 89.17 13 A 1 ATOM 102 O O . TYR A 1 13 ? -3.549 -2.691 -3.131 1.00 88.26 13 A 1 ATOM 103 C CB . TYR A 1 13 ? -3.317 -3.127 0.193 1.00 88.35 13 A 1 ATOM 104 C CG . TYR A 1 13 ? -4.610 -3.801 -0.182 1.00 81.64 13 A 1 ATOM 105 C CD1 . TYR A 1 13 ? -5.780 -3.049 -0.354 1.00 78.86 13 A 1 ATOM 106 C CD2 . TYR A 1 13 ? -4.633 -5.186 -0.410 1.00 79.04 13 A 1 ATOM 107 C CE1 . TYR A 1 13 ? -6.968 -3.674 -0.745 1.00 75.46 13 A 1 ATOM 108 C CE2 . TYR A 1 13 ? -5.819 -5.818 -0.805 1.00 77.77 13 A 1 ATOM 109 C CZ . TYR A 1 13 ? -6.984 -5.054 -0.971 1.00 76.87 13 A 1 ATOM 110 O OH . TYR A 1 13 ? -8.143 -5.669 -1.362 1.00 72.96 13 A 1 ATOM 111 N N . PHE A 1 14 ? -3.309 -0.812 -1.933 1.00 87.27 14 A 1 ATOM 112 C CA . PHE A 1 14 ? -3.963 0.042 -2.913 1.00 88.20 14 A 1 ATOM 113 C C . PHE A 1 14 ? -3.209 0.077 -4.240 1.00 89.78 14 A 1 ATOM 114 O O . PHE A 1 14 ? -3.818 -0.056 -5.300 1.00 89.15 14 A 1 ATOM 115 C CB . PHE A 1 14 ? -4.105 1.438 -2.311 1.00 87.94 14 A 1 ATOM 116 C CG . PHE A 1 14 ? -4.861 2.373 -3.205 1.00 83.66 14 A 1 ATOM 117 C CD1 . PHE A 1 14 ? -6.243 2.210 -3.378 1.00 81.17 14 A 1 ATOM 118 C CD2 . PHE A 1 14 ? -4.186 3.401 -3.884 1.00 81.07 14 A 1 ATOM 119 C CE1 . PHE A 1 14 ? -6.950 3.068 -4.224 1.00 78.60 14 A 1 ATOM 120 C CE2 . PHE A 1 14 ? -4.894 4.262 -4.739 1.00 78.89 14 A 1 ATOM 121 C CZ . PHE A 1 14 ? -6.276 4.089 -4.905 1.00 77.25 14 A 1 ATOM 122 N N . VAL A 1 15 ? -1.893 0.203 -4.199 1.00 90.41 15 A 1 ATOM 123 C CA . VAL A 1 15 ? -1.053 0.173 -5.403 1.00 89.92 15 A 1 ATOM 124 C C . VAL A 1 15 ? -1.131 -1.190 -6.087 1.00 90.54 15 A 1 ATOM 125 O O . VAL A 1 15 ? -1.281 -1.247 -7.305 1.00 89.64 15 A 1 ATOM 126 C CB . VAL A 1 15 ? 0.398 0.548 -5.056 1.00 88.79 15 A 1 ATOM 127 C CG1 . VAL A 1 15 ? 1.356 0.345 -6.226 1.00 82.92 15 A 1 ATOM 128 C CG2 . VAL A 1 15 ? 0.471 2.020 -4.652 1.00 83.86 15 A 1 ATOM 129 N N . SER A 1 16 ? -1.094 -2.268 -5.340 1.00 89.42 16 A 1 ATOM 130 C CA . SER A 1 16 ? -1.242 -3.615 -5.893 1.00 88.97 16 A 1 ATOM 131 C C . SER A 1 16 ? -2.608 -3.815 -6.550 1.00 89.38 16 A 1 ATOM 132 O O . SER A 1 16 ? -2.689 -4.429 -7.609 1.00 88.46 16 A 1 ATOM 133 C CB . SER A 1 16 ? -1.051 -4.660 -4.796 1.00 88.16 16 A 1 ATOM 134 O OG . SER A 1 16 ? 0.256 -4.597 -4.271 1.00 78.81 16 A 1 ATOM 135 N N . LEU A 1 17 ? -3.648 -3.269 -5.962 1.00 90.82 17 A 1 ATOM 136 C CA . LEU A 1 17 ? -4.989 -3.314 -6.539 1.00 89.78 17 A 1 ATOM 137 C C . LEU A 1 17 ? -5.054 -2.528 -7.851 1.00 90.45 17 A 1 ATOM 138 O O . LEU A 1 17 ? -5.623 -3.017 -8.820 1.00 89.41 17 A 1 ATOM 139 C CB . LEU A 1 17 ? -5.987 -2.779 -5.504 1.00 89.13 17 A 1 ATOM 140 C CG . LEU A 1 17 ? -7.452 -2.900 -5.950 1.00 80.27 17 A 1 ATOM 141 C CD1 . LEU A 1 17 ? -7.896 -4.362 -6.014 1.00 77.83 17 A 1 ATOM 142 C CD2 . LEU A 1 17 ? -8.354 -2.166 -4.961 1.00 79.14 17 A 1 ATOM 143 N N . LEU A 1 18 ? -4.454 -1.349 -7.909 1.00 91.53 18 A 1 ATOM 144 C CA . LEU A 1 18 ? -4.375 -0.553 -9.132 1.00 91.25 18 A 1 ATOM 145 C C . LEU A 1 18 ? -3.600 -1.287 -10.226 1.00 91.79 18 A 1 ATOM 146 O O . LEU A 1 18 ? -4.051 -1.318 -11.365 1.00 91.24 18 A 1 ATOM 147 C CB . LEU A 1 18 ? -3.710 0.797 -8.832 1.00 90.66 18 A 1 ATOM 148 C CG . LEU A 1 18 ? -4.600 1.785 -8.070 1.00 82.90 18 A 1 ATOM 149 C CD1 . LEU A 1 18 ? -3.759 3.000 -7.691 1.00 79.50 18 A 1 ATOM 150 C CD2 . LEU A 1 18 ? -5.783 2.268 -8.906 1.00 80.78 18 A 1 ATOM 151 N N . LEU A 1 19 ? -2.480 -1.909 -9.894 1.00 92.90 19 A 1 ATOM 152 C CA . LEU A 1 19 ? -1.685 -2.691 -10.840 1.00 92.14 19 A 1 ATOM 153 C C . LEU A 1 19 ? -2.431 -3.925 -11.346 1.00 92.18 19 A 1 ATOM 154 O O . LEU A 1 19 ? -2.169 -4.373 -12.460 1.00 90.75 19 A 1 ATOM 155 C CB . LEU A 1 19 ? -0.378 -3.122 -10.167 1.00 91.34 19 A 1 ATOM 156 C CG . LEU A 1 19 ? 0.630 -1.979 -9.986 1.00 84.14 19 A 1 ATOM 157 C CD1 . LEU A 1 19 ? 1.774 -2.462 -9.099 1.00 79.39 19 A 1 ATOM 158 C CD2 . LEU A 1 19 ? 1.212 -1.519 -11.320 1.00 81.20 19 A 1 ATOM 159 N N . LEU A 1 20 ? -3.334 -4.471 -10.566 1.00 91.38 20 A 1 ATOM 160 C CA . LEU A 1 20 ? -4.173 -5.589 -10.984 1.00 90.69 20 A 1 ATOM 161 C C . LEU A 1 20 ? -5.311 -5.132 -11.901 1.00 90.72 20 A 1 ATOM 162 O O . LEU A 1 20 ? -5.749 -5.891 -12.766 1.00 89.17 20 A 1 ATOM 163 C CB . LEU A 1 20 ? -4.711 -6.275 -9.721 1.00 89.60 20 A 1 ATOM 164 C CG . LEU A 1 20 ? -5.498 -7.557 -10.018 1.00 82.06 20 A 1 ATOM 165 C CD1 . LEU A 1 20 ? -4.568 -8.669 -10.517 1.00 77.27 20 A 1 ATOM 166 C CD2 . LEU A 1 20 ? -6.189 -8.036 -8.751 1.00 77.54 20 A 1 ATOM 167 N N . LEU A 1 21 ? -5.805 -3.920 -11.696 1.00 88.83 21 A 1 ATOM 168 C CA . LEU A 1 21 ? -6.932 -3.355 -12.436 1.00 88.02 21 A 1 ATOM 169 C C . LEU A 1 21 ? -6.499 -2.726 -13.766 1.00 88.60 21 A 1 ATOM 170 O O . LEU A 1 21 ? -7.296 -2.714 -14.708 1.00 86.82 21 A 1 ATOM 171 C CB . LEU A 1 21 ? -7.641 -2.330 -11.527 1.00 86.48 21 A 1 ATOM 172 C CG . LEU A 1 21 ? -9.148 -2.609 -11.387 1.00 80.63 21 A 1 ATOM 173 C CD1 . LEU A 1 21 ? -9.507 -2.910 -9.933 1.00 75.19 21 A 1 ATOM 174 C CD2 . LEU A 1 21 ? -9.975 -1.415 -11.841 1.00 74.43 21 A 1 ATOM 175 N N . PHE A 1 22 ? -5.266 -2.219 -13.819 1.00 88.31 22 A 1 ATOM 176 C CA . PHE A 1 22 ? -4.696 -1.529 -14.978 1.00 85.64 22 A 1 ATOM 177 C C . PHE A 1 22 ? -3.413 -2.211 -15.459 1.00 82.44 22 A 1 ATOM 178 O O . PHE A 1 22 ? -3.192 -2.220 -16.686 1.00 80.02 22 A 1 ATOM 179 C CB . PHE A 1 22 ? -4.417 -0.063 -14.608 1.00 82.18 22 A 1 ATOM 180 C CG . PHE A 1 22 ? -5.638 0.764 -14.275 1.00 78.61 22 A 1 ATOM 181 C CD1 . PHE A 1 22 ? -6.394 1.349 -15.297 1.00 76.80 22 A 1 ATOM 182 C CD2 . PHE A 1 22 ? -6.032 0.953 -12.942 1.00 76.66 22 A 1 ATOM 183 C CE1 . PHE A 1 22 ? -7.519 2.123 -15.004 1.00 76.28 22 A 1 ATOM 184 C CE2 . PHE A 1 22 ? -7.162 1.727 -12.642 1.00 78.88 22 A 1 ATOM 185 C CZ . PHE A 1 22 ? -7.899 2.312 -13.675 1.00 73.74 22 A 1 ATOM 186 O OXT . PHE A 1 22 ? -2.627 -2.703 -14.623 1.00 69.63 22 A 1 #