# 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_spkb35265 # _entry.id spkb35265 # 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 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "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 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 GLN 2 1 n THR 3 1 n SER 4 1 n MET 5 1 n PHE 6 1 n LEU 7 1 n THR 8 1 n LEU 9 1 n THR 10 1 n GLY 11 1 n LEU 12 1 n VAL 13 1 n LEU 14 1 n LEU 15 1 n PHE 16 1 n VAL 17 1 n VAL 18 1 n CYS 19 1 n TYR 20 1 n ALA 21 # _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 21:09:05)" _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 91.04 _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 82.14 1 1 A GLN 2 2 77.45 1 2 A THR 3 2 83.72 1 3 A SER 4 2 89.15 1 4 A MET 5 2 85.87 1 5 A PHE 6 2 88.35 1 6 A LEU 7 2 89.30 1 7 A THR 8 2 92.70 1 8 A LEU 9 2 92.27 1 9 A THR 10 2 93.59 1 10 A GLY 11 2 96.26 1 11 A LEU 12 2 93.10 1 12 A VAL 13 2 96.12 1 13 A LEU 14 2 95.27 1 14 A LEU 15 2 95.09 1 15 A PHE 16 2 95.03 1 16 A VAL 17 2 96.60 1 17 A VAL 18 2 96.84 1 18 A CYS 19 2 96.50 1 19 A TYR 20 2 93.10 1 20 A ALA 21 2 88.10 1 21 # _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 GLN . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n MET . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n CYS . 19 A 19 A 20 1 n TYR . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -13.861 9.613 8.236 1.00 89.52 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.179 8.313 8.384 1.00 90.15 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.742 8.404 7.883 1.00 90.86 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.510 8.523 6.682 1.00 87.54 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.927 7.226 7.607 1.00 84.98 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.385 5.832 7.852 1.00 79.00 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.394 4.566 7.060 1.00 71.66 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.519 3.102 7.571 1.00 63.38 1 A 1 ATOM 9 N N . GLN A 1 2 ? -10.780 8.357 8.801 1.00 88.28 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -9.362 8.467 8.464 1.00 89.94 2 A 1 ATOM 11 C C . GLN A 1 2 ? -8.715 7.102 8.235 1.00 88.89 2 A 1 ATOM 12 O O . GLN A 1 2 ? -7.593 7.023 7.740 1.00 84.96 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -8.632 9.208 9.580 1.00 84.42 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -8.745 8.523 10.927 1.00 71.75 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -8.162 9.359 12.041 1.00 66.68 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -7.317 10.212 11.802 1.00 63.86 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -8.599 9.125 13.265 1.00 58.26 2 A 1 ATOM 18 N N . THR A 1 3 ? -9.419 6.025 8.604 1.00 86.73 3 A 1 ATOM 19 C CA . THR A 1 3 ? -8.890 4.671 8.447 1.00 88.69 3 A 1 ATOM 20 C C . THR A 1 3 ? -8.654 4.341 6.977 1.00 90.37 3 A 1 ATOM 21 O O . THR A 1 3 ? -7.647 3.726 6.624 1.00 87.74 3 A 1 ATOM 22 C CB . THR A 1 3 ? -9.849 3.639 9.046 1.00 85.27 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? -10.167 4.000 10.387 1.00 74.65 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? -9.220 2.257 9.027 1.00 72.62 3 A 1 ATOM 25 N N . SER A 1 4 ? -9.579 4.757 6.116 1.00 90.96 4 A 1 ATOM 26 C CA . SER A 1 4 ? -9.457 4.505 4.683 1.00 92.98 4 A 1 ATOM 27 C C . SER A 1 4 ? -8.197 5.154 4.116 1.00 94.11 4 A 1 ATOM 28 O O . SER A 1 4 ? -7.473 4.549 3.323 1.00 92.77 4 A 1 ATOM 29 C CB . SER A 1 4 ? -10.680 5.029 3.942 1.00 89.95 4 A 1 ATOM 30 O OG . SER A 1 4 ? -10.581 4.732 2.566 1.00 74.11 4 A 1 ATOM 31 N N . MET A 1 5 ? -7.924 6.390 4.527 1.00 91.43 5 A 1 ATOM 32 C CA . MET A 1 5 ? -6.734 7.110 4.073 1.00 92.96 5 A 1 ATOM 33 C C . MET A 1 5 ? -5.466 6.410 4.552 1.00 94.58 5 A 1 ATOM 34 O O . MET A 1 5 ? -4.490 6.293 3.814 1.00 94.11 5 A 1 ATOM 35 C CB . MET A 1 5 ? -6.754 8.548 4.581 1.00 91.11 5 A 1 ATOM 36 C CG . MET A 1 5 ? -7.892 9.358 3.983 1.00 83.53 5 A 1 ATOM 37 S SD . MET A 1 5 ? -7.915 11.052 4.578 1.00 74.39 5 A 1 ATOM 38 C CE . MET A 1 5 ? -9.293 11.682 3.642 1.00 64.82 5 A 1 ATOM 39 N N . PHE A 1 6 ? -5.486 5.945 5.807 1.00 93.48 6 A 1 ATOM 40 C CA . PHE A 1 6 ? -4.343 5.241 6.378 1.00 94.58 6 A 1 ATOM 41 C C . PHE A 1 6 ? -4.048 3.967 5.597 1.00 95.99 6 A 1 ATOM 42 O O . PHE A 1 6 ? -2.894 3.682 5.268 1.00 95.91 6 A 1 ATOM 43 C CB . PHE A 1 6 ? -4.615 4.902 7.844 1.00 93.79 6 A 1 ATOM 44 C CG . PHE A 1 6 ? -3.510 4.093 8.472 1.00 88.52 6 A 1 ATOM 45 C CD1 . PHE A 1 6 ? -2.305 4.690 8.804 1.00 84.42 6 A 1 ATOM 46 C CD2 . PHE A 1 6 ? -3.678 2.740 8.712 1.00 83.66 6 A 1 ATOM 47 C CE1 . PHE A 1 6 ? -1.279 3.952 9.371 1.00 80.83 6 A 1 ATOM 48 C CE2 . PHE A 1 6 ? -2.649 1.990 9.276 1.00 81.99 6 A 1 ATOM 49 C CZ . PHE A 1 6 ? -1.450 2.599 9.606 1.00 78.73 6 A 1 ATOM 50 N N . LEU A 1 7 ? -5.097 3.200 5.293 1.00 92.99 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -4.938 1.956 4.551 1.00 93.49 7 A 1 ATOM 52 C C . LEU A 1 7 ? -4.412 2.226 3.148 1.00 94.85 7 A 1 ATOM 53 O O . LEU A 1 7 ? -3.581 1.480 2.628 1.00 94.80 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -6.273 1.214 4.479 1.00 93.08 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -6.752 0.671 5.824 1.00 85.52 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -8.160 0.116 5.695 1.00 80.02 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -5.807 -0.409 6.329 1.00 79.65 7 A 1 ATOM 58 N N . THR A 1 8 ? -4.884 3.298 2.535 1.00 95.10 8 A 1 ATOM 59 C CA . THR A 1 8 ? -4.440 3.668 1.194 1.00 95.67 8 A 1 ATOM 60 C C . THR A 1 8 ? -2.947 3.986 1.194 1.00 96.32 8 A 1 ATOM 61 O O . THR A 1 8 ? -2.200 3.511 0.335 1.00 95.61 8 A 1 ATOM 62 C CB . THR A 1 8 ? -5.215 4.883 0.679 1.00 94.77 8 A 1 ATOM 63 O OG1 . THR A 1 8 ? -6.609 4.582 0.654 1.00 86.76 8 A 1 ATOM 64 C CG2 . THR A 1 8 ? -4.756 5.248 -0.730 1.00 84.70 8 A 1 ATOM 65 N N . LEU A 1 9 ? -2.501 4.783 2.161 1.00 95.54 9 A 1 ATOM 66 C CA . LEU A 1 9 ? -1.091 5.141 2.275 1.00 95.95 9 A 1 ATOM 67 C C . LEU A 1 9 ? -0.250 3.905 2.565 1.00 96.70 9 A 1 ATOM 68 O O . LEU A 1 9 ? 0.843 3.747 2.019 1.00 96.85 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -0.902 6.175 3.385 1.00 95.48 9 A 1 ATOM 70 C CG . LEU A 1 9 ? -1.493 7.547 3.062 1.00 87.59 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? -1.452 8.440 4.291 1.00 84.62 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -0.736 8.194 1.913 1.00 85.39 9 A 1 ATOM 73 N N . THR A 1 10 ? -0.764 3.023 3.412 1.00 95.91 10 A 1 ATOM 74 C CA . THR A 1 10 ? -0.060 1.789 3.755 1.00 96.04 10 A 1 ATOM 75 C C . THR A 1 10 ? 0.151 0.939 2.506 1.00 96.72 10 A 1 ATOM 76 O O . THR A 1 10 ? 1.223 0.360 2.307 1.00 95.94 10 A 1 ATOM 77 C CB . THR A 1 10 ? -0.850 0.986 4.794 1.00 94.89 10 A 1 ATOM 78 O OG1 . THR A 1 10 ? -1.031 1.773 5.974 1.00 88.53 10 A 1 ATOM 79 C CG2 . THR A 1 10 ? -0.103 -0.289 5.167 1.00 87.12 10 A 1 ATOM 80 N N . GLY A 1 11 ? -0.864 0.869 1.663 1.00 95.63 11 A 1 ATOM 81 C CA . GLY A 1 11 ? -0.760 0.107 0.421 1.00 96.01 11 A 1 ATOM 82 C C . GLY A 1 11 ? 0.340 0.646 -0.474 1.00 97.00 11 A 1 ATOM 83 O O . GLY A 1 11 ? 1.108 -0.118 -1.064 1.00 96.40 11 A 1 ATOM 84 N N . LEU A 1 12 ? 0.430 1.967 -0.572 1.00 96.05 12 A 1 ATOM 85 C CA . LEU A 1 12 ? 1.458 2.605 -1.390 1.00 96.42 12 A 1 ATOM 86 C C . LEU A 1 12 ? 2.847 2.313 -0.830 1.00 97.26 12 A 1 ATOM 87 O O . LEU A 1 12 ? 3.791 2.071 -1.584 1.00 97.00 12 A 1 ATOM 88 C CB . LEU A 1 12 ? 1.226 4.117 -1.439 1.00 95.85 12 A 1 ATOM 89 C CG . LEU A 1 12 ? -0.024 4.529 -2.220 1.00 88.72 12 A 1 ATOM 90 C CD1 . LEU A 1 12 ? -0.291 6.017 -2.046 1.00 86.32 12 A 1 ATOM 91 C CD2 . LEU A 1 12 ? 0.136 4.191 -3.695 1.00 87.15 12 A 1 ATOM 92 N N . VAL A 1 13 ? 2.975 2.334 0.490 1.00 97.05 13 A 1 ATOM 93 C CA . VAL A 1 13 ? 4.251 2.046 1.146 1.00 97.10 13 A 1 ATOM 94 C C . VAL A 1 13 ? 4.683 0.616 0.859 1.00 97.64 13 A 1 ATOM 95 O O . VAL A 1 13 ? 5.849 0.360 0.545 1.00 97.21 13 A 1 ATOM 96 C CB . VAL A 1 13 ? 4.152 2.273 2.663 1.00 96.33 13 A 1 ATOM 97 C CG1 . VAL A 1 13 ? 5.427 1.811 3.363 1.00 93.92 13 A 1 ATOM 98 C CG2 . VAL A 1 13 ? 3.904 3.744 2.956 1.00 93.61 13 A 1 ATOM 99 N N . LEU A 1 14 ? 3.751 -0.326 0.962 1.00 97.39 14 A 1 ATOM 100 C CA . LEU A 1 14 ? 4.056 -1.730 0.707 1.00 97.48 14 A 1 ATOM 101 C C . LEU A 1 14 ? 4.525 -1.921 -0.728 1.00 97.87 14 A 1 ATOM 102 O O . LEU A 1 14 ? 5.486 -2.647 -0.988 1.00 97.68 14 A 1 ATOM 103 C CB . LEU A 1 14 ? 2.816 -2.591 0.966 1.00 97.08 14 A 1 ATOM 104 C CG . LEU A 1 14 ? 2.443 -2.717 2.445 1.00 92.37 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? 1.092 -3.404 2.592 1.00 90.53 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? 3.513 -3.499 3.196 1.00 91.77 14 A 1 ATOM 107 N N . LEU A 1 15 ? 3.852 -1.263 -1.657 1.00 97.68 15 A 1 ATOM 108 C CA . LEU A 1 15 ? 4.226 -1.343 -3.066 1.00 97.62 15 A 1 ATOM 109 C C . LEU A 1 15 ? 5.636 -0.791 -3.268 1.00 97.87 15 A 1 ATOM 110 O O . LEU A 1 15 ? 6.440 -1.358 -4.010 1.00 97.60 15 A 1 ATOM 111 C CB . LEU A 1 15 ? 3.228 -0.556 -3.919 1.00 97.33 15 A 1 ATOM 112 C CG . LEU A 1 15 ? 3.499 -0.627 -5.423 1.00 92.66 15 A 1 ATOM 113 C CD1 . LEU A 1 15 ? 3.351 -2.057 -5.934 1.00 89.40 15 A 1 ATOM 114 C CD2 . LEU A 1 15 ? 2.543 0.292 -6.170 1.00 90.55 15 A 1 ATOM 115 N N . PHE A 1 16 ? 5.936 0.322 -2.601 1.00 97.49 16 A 1 ATOM 116 C CA . PHE A 1 16 ? 7.252 0.951 -2.685 1.00 97.32 16 A 1 ATOM 117 C C . PHE A 1 16 ? 8.333 0.002 -2.181 1.00 97.55 16 A 1 ATOM 118 O O . PHE A 1 16 ? 9.386 -0.145 -2.807 1.00 97.16 16 A 1 ATOM 119 C CB . PHE A 1 16 ? 7.260 2.239 -1.862 1.00 97.04 16 A 1 ATOM 120 C CG . PHE A 1 16 ? 8.544 3.011 -2.001 1.00 95.38 16 A 1 ATOM 121 C CD1 . PHE A 1 16 ? 9.606 2.780 -1.139 1.00 92.62 16 A 1 ATOM 122 C CD2 . PHE A 1 16 ? 8.681 3.966 -3.000 1.00 93.26 16 A 1 ATOM 123 C CE1 . PHE A 1 16 ? 10.792 3.490 -1.274 1.00 92.02 16 A 1 ATOM 124 C CE2 . PHE A 1 16 ? 9.867 4.675 -3.134 1.00 92.51 16 A 1 ATOM 125 C CZ . PHE A 1 16 ? 10.925 4.436 -2.274 1.00 92.97 16 A 1 ATOM 126 N N . VAL A 1 17 ? 8.071 -0.656 -1.050 1.00 97.79 17 A 1 ATOM 127 C CA . VAL A 1 17 ? 9.026 -1.601 -0.470 1.00 97.60 17 A 1 ATOM 128 C C . VAL A 1 17 ? 9.297 -2.753 -1.429 1.00 97.74 17 A 1 ATOM 129 O O . VAL A 1 17 ? 10.447 -3.151 -1.630 1.00 97.01 17 A 1 ATOM 130 C CB . VAL A 1 17 ? 8.507 -2.149 0.871 1.00 96.90 17 A 1 ATOM 131 C CG1 . VAL A 1 17 ? 9.414 -3.256 1.399 1.00 94.41 17 A 1 ATOM 132 C CG2 . VAL A 1 17 ? 8.421 -1.026 1.893 1.00 94.73 17 A 1 ATOM 133 N N . VAL A 1 18 ? 8.244 -3.300 -2.020 1.00 98.09 18 A 1 ATOM 134 C CA . VAL A 1 18 ? 8.390 -4.418 -2.954 1.00 97.89 18 A 1 ATOM 135 C C . VAL A 1 18 ? 9.218 -4.011 -4.170 1.00 97.94 18 A 1 ATOM 136 O O . VAL A 1 18 ? 10.050 -4.784 -4.659 1.00 97.32 18 A 1 ATOM 137 C CB . VAL A 1 18 ? 7.012 -4.934 -3.409 1.00 97.31 18 A 1 ATOM 138 C CG1 . VAL A 1 18 ? 7.154 -6.003 -4.492 1.00 94.53 18 A 1 ATOM 139 C CG2 . VAL A 1 18 ? 6.250 -5.506 -2.222 1.00 94.79 18 A 1 ATOM 140 N N . CYS A 1 19 ? 8.997 -2.800 -4.662 1.00 97.75 19 A 1 ATOM 141 C CA . CYS A 1 19 ? 9.712 -2.318 -5.842 1.00 97.60 19 A 1 ATOM 142 C C . CYS A 1 19 ? 11.169 -1.960 -5.535 1.00 97.51 19 A 1 ATOM 143 O O . CYS A 1 19 ? 12.032 -2.062 -6.407 1.00 96.33 19 A 1 ATOM 144 C CB . CYS A 1 19 ? 8.989 -1.100 -6.425 1.00 96.91 19 A 1 ATOM 145 S SG . CYS A 1 19 ? 7.367 -1.515 -7.109 1.00 92.93 19 A 1 ATOM 146 N N . TYR A 1 20 ? 11.420 -1.534 -4.301 1.00 97.25 20 A 1 ATOM 147 C CA . TYR A 1 20 ? 12.763 -1.104 -3.917 1.00 96.71 20 A 1 ATOM 148 C C . TYR A 1 20 ? 13.426 -2.055 -2.916 1.00 96.34 20 A 1 ATOM 149 O O . TYR A 1 20 ? 14.346 -1.663 -2.198 1.00 94.63 20 A 1 ATOM 150 C CB . TYR A 1 20 ? 12.707 0.317 -3.341 1.00 95.62 20 A 1 ATOM 151 C CG . TYR A 1 20 ? 12.388 1.364 -4.384 1.00 93.21 20 A 1 ATOM 152 C CD1 . TYR A 1 20 ? 11.083 1.595 -4.787 1.00 91.48 20 A 1 ATOM 153 C CD2 . TYR A 1 20 ? 13.407 2.113 -4.965 1.00 90.80 20 A 1 ATOM 154 C CE1 . TYR A 1 20 ? 10.791 2.547 -5.753 1.00 90.89 20 A 1 ATOM 155 C CE2 . TYR A 1 20 ? 13.124 3.072 -5.928 1.00 90.67 20 A 1 ATOM 156 C CZ . TYR A 1 20 ? 11.814 3.284 -6.320 1.00 90.56 20 A 1 ATOM 157 O OH . TYR A 1 20 ? 11.529 4.229 -7.273 1.00 89.08 20 A 1 ATOM 158 N N . ALA A 1 21 ? 12.986 -3.321 -2.875 1.00 94.94 21 A 1 ATOM 159 C CA . ALA A 1 21 ? 13.545 -4.307 -1.951 1.00 93.05 21 A 1 ATOM 160 C C . ALA A 1 21 ? 13.437 -5.700 -2.546 1.00 89.96 21 A 1 ATOM 161 O O . ALA A 1 21 ? 12.336 -6.280 -2.531 1.00 84.85 21 A 1 ATOM 162 C CB . ALA A 1 21 ? 12.839 -4.245 -0.607 1.00 88.46 21 A 1 ATOM 163 O OXT . ALA A 1 21 ? 14.458 -6.213 -3.054 1.00 77.35 21 A 1 #