# 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_spkb32196 # _entry.id spkb32196 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "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" "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 ILE 3 1 n THR 4 1 n LYS 5 1 n LYS 6 1 n LEU 7 1 n TYR 8 1 n GLN 9 1 n CYS 10 1 n MET 11 1 n CYS 12 1 n LEU 13 1 n LEU 14 1 n CYS 15 1 n MET 16 1 n VAL 17 1 n ILE 18 1 n ALA 19 1 n LEU 20 1 n LEU 21 1 n ASP 22 1 n VAL 23 1 n VAL 24 1 n SER 25 1 n SER 26 # _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 13:05:27)" _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 92.07 _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 85.17 1 1 A MET 2 2 86.20 1 2 A ILE 3 2 92.65 1 3 A THR 4 2 93.12 1 4 A LYS 5 2 88.79 1 5 A LYS 6 2 88.47 1 6 A LEU 7 2 91.48 1 7 A TYR 8 2 91.33 1 8 A GLN 9 2 90.23 1 9 A CYS 10 2 95.01 1 10 A MET 11 2 89.34 1 11 A CYS 12 2 96.06 1 12 A LEU 13 2 93.46 1 13 A LEU 14 2 94.11 1 14 A CYS 15 2 96.09 1 15 A MET 16 2 91.30 1 16 A VAL 17 2 96.73 1 17 A ILE 18 2 96.76 1 18 A ALA 19 2 97.70 1 19 A LEU 20 2 93.90 1 20 A LEU 21 2 94.63 1 21 A ASP 22 2 91.96 1 22 A VAL 23 2 95.68 1 23 A VAL 24 2 94.18 1 24 A SER 25 2 91.19 1 25 A SER 26 2 84.96 1 26 # _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 ILE . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n TYR . 8 A 8 A 9 1 n GLN . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n MET . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n ASP . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n SER . 26 A 26 # _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 ? -9.801 -8.784 16.334 1.00 93.11 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.038 -7.544 16.062 1.00 94.64 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.322 -7.068 14.633 1.00 95.33 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.622 -7.451 13.710 1.00 92.57 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.532 -7.789 16.271 1.00 90.05 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.993 -7.122 17.533 1.00 77.27 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.270 -7.554 17.826 1.00 72.22 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.869 -6.457 19.190 1.00 66.16 1 A 1 ATOM 9 N N . MET A 1 2 ? -10.391 -6.298 14.423 1.00 94.75 2 A 1 ATOM 10 C CA . MET A 1 2 ? -10.768 -5.788 13.088 1.00 95.37 2 A 1 ATOM 11 C C . MET A 1 2 ? -9.911 -4.596 12.651 1.00 95.90 2 A 1 ATOM 12 O O . MET A 1 2 ? -9.636 -4.446 11.467 1.00 94.22 2 A 1 ATOM 13 C CB . MET A 1 2 ? -12.253 -5.394 13.073 1.00 93.11 2 A 1 ATOM 14 C CG . MET A 1 2 ? -13.167 -6.566 12.714 1.00 79.02 2 A 1 ATOM 15 S SD . MET A 1 2 ? -14.901 -6.064 12.594 1.00 71.27 2 A 1 ATOM 16 C CE . MET A 1 2 ? -15.654 -7.577 11.982 1.00 65.93 2 A 1 ATOM 17 N N . ILE A 1 3 ? -9.460 -3.772 13.598 1.00 95.94 3 A 1 ATOM 18 C CA . ILE A 1 3 ? -8.718 -2.532 13.327 1.00 96.01 3 A 1 ATOM 19 C C . ILE A 1 3 ? -7.377 -2.828 12.647 1.00 96.07 3 A 1 ATOM 20 O O . ILE A 1 3 ? -7.023 -2.172 11.668 1.00 95.84 3 A 1 ATOM 21 C CB . ILE A 1 3 ? -8.543 -1.730 14.637 1.00 95.65 3 A 1 ATOM 22 C CG1 . ILE A 1 3 ? -9.921 -1.360 15.242 1.00 90.37 3 A 1 ATOM 23 C CG2 . ILE A 1 3 ? -7.710 -0.462 14.388 1.00 87.98 3 A 1 ATOM 24 C CD1 . ILE A 1 3 ? -9.844 -0.772 16.654 1.00 83.35 3 A 1 ATOM 25 N N . THR A 1 4 ? -6.656 -3.858 13.102 1.00 97.00 4 A 1 ATOM 26 C CA . THR A 1 4 ? -5.359 -4.247 12.529 1.00 97.10 4 A 1 ATOM 27 C C . THR A 1 4 ? -5.489 -4.742 11.091 1.00 97.07 4 A 1 ATOM 28 O O . THR A 1 4 ? -4.670 -4.381 10.247 1.00 96.44 4 A 1 ATOM 29 C CB . THR A 1 4 ? -4.692 -5.324 13.388 1.00 96.12 4 A 1 ATOM 30 O OG1 . THR A 1 4 ? -5.627 -6.333 13.704 1.00 85.79 4 A 1 ATOM 31 C CG2 . THR A 1 4 ? -4.179 -4.752 14.701 1.00 82.30 4 A 1 ATOM 32 N N . LYS A 1 5 ? -6.546 -5.495 10.764 1.00 97.40 5 A 1 ATOM 33 C CA . LYS A 1 5 ? -6.828 -5.924 9.386 1.00 97.10 5 A 1 ATOM 34 C C . LYS A 1 5 ? -7.150 -4.731 8.484 1.00 97.22 5 A 1 ATOM 35 O O . LYS A 1 5 ? -6.661 -4.673 7.358 1.00 96.84 5 A 1 ATOM 36 C CB . LYS A 1 5 ? -7.978 -6.940 9.348 1.00 96.49 5 A 1 ATOM 37 C CG . LYS A 1 5 ? -7.558 -8.318 9.872 1.00 87.47 5 A 1 ATOM 38 C CD . LYS A 1 5 ? -8.671 -9.344 9.643 1.00 83.66 5 A 1 ATOM 39 C CE . LYS A 1 5 ? -8.216 -10.739 10.075 1.00 75.14 5 A 1 ATOM 40 N NZ . LYS A 1 5 ? -9.242 -11.775 9.796 1.00 67.82 5 A 1 ATOM 41 N N . LYS A 1 6 ? -7.927 -3.765 8.980 1.00 97.39 6 A 1 ATOM 42 C CA . LYS A 1 6 ? -8.279 -2.554 8.234 1.00 97.33 6 A 1 ATOM 43 C C . LYS A 1 6 ? -7.050 -1.675 7.972 1.00 97.56 6 A 1 ATOM 44 O O . LYS A 1 6 ? -6.879 -1.197 6.855 1.00 97.12 6 A 1 ATOM 45 C CB . LYS A 1 6 ? -9.368 -1.793 9.002 1.00 96.86 6 A 1 ATOM 46 C CG . LYS A 1 6 ? -10.187 -0.852 8.107 1.00 88.00 6 A 1 ATOM 47 C CD . LYS A 1 6 ? -11.338 -1.577 7.399 1.00 81.28 6 A 1 ATOM 48 C CE . LYS A 1 6 ? -12.148 -0.588 6.564 1.00 74.41 6 A 1 ATOM 49 N NZ . LYS A 1 6 ? -13.348 -1.194 5.950 1.00 66.24 6 A 1 ATOM 50 N N . LEU A 1 7 ? -6.185 -1.512 8.976 1.00 97.34 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -4.924 -0.780 8.845 1.00 97.28 7 A 1 ATOM 52 C C . LEU A 1 7 ? -3.979 -1.465 7.859 1.00 97.52 7 A 1 ATOM 53 O O . LEU A 1 7 ? -3.429 -0.798 6.987 1.00 97.46 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -4.258 -0.648 10.223 1.00 97.03 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -4.908 0.407 11.130 1.00 84.97 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -4.350 0.279 12.546 1.00 78.89 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -4.627 1.826 10.636 1.00 81.35 7 A 1 ATOM 58 N N . TYR A 1 8 ? -3.842 -2.789 7.939 1.00 97.66 8 A 1 ATOM 59 C CA . TYR A 1 8 ? -3.011 -3.555 7.011 1.00 97.72 8 A 1 ATOM 60 C C . TYR A 1 8 ? -3.508 -3.421 5.566 1.00 97.68 8 A 1 ATOM 61 O O . TYR A 1 8 ? -2.721 -3.160 4.659 1.00 97.36 8 A 1 ATOM 62 C CB . TYR A 1 8 ? -2.995 -5.018 7.456 1.00 97.65 8 A 1 ATOM 63 C CG . TYR A 1 8 ? -2.022 -5.848 6.656 1.00 91.42 8 A 1 ATOM 64 C CD1 . TYR A 1 8 ? -2.465 -6.620 5.566 1.00 87.12 8 A 1 ATOM 65 C CD2 . TYR A 1 8 ? -0.654 -5.821 6.986 1.00 86.89 8 A 1 ATOM 66 C CE1 . TYR A 1 8 ? -1.549 -7.363 4.812 1.00 84.58 8 A 1 ATOM 67 C CE2 . TYR A 1 8 ? 0.272 -6.563 6.232 1.00 87.02 8 A 1 ATOM 68 C CZ . TYR A 1 8 ? -0.183 -7.333 5.147 1.00 86.73 8 A 1 ATOM 69 O OH . TYR A 1 8 ? 0.719 -8.052 4.407 1.00 84.09 8 A 1 ATOM 70 N N . GLN A 1 9 ? -4.830 -3.510 5.349 1.00 97.76 9 A 1 ATOM 71 C CA . GLN A 1 9 ? -5.434 -3.308 4.035 1.00 97.78 9 A 1 ATOM 72 C C . GLN A 1 9 ? -5.189 -1.886 3.507 1.00 97.99 9 A 1 ATOM 73 O O . GLN A 1 9 ? -4.871 -1.722 2.330 1.00 97.58 9 A 1 ATOM 74 C CB . GLN A 1 9 ? -6.933 -3.620 4.141 1.00 97.58 9 A 1 ATOM 75 C CG . GLN A 1 9 ? -7.592 -3.667 2.759 1.00 88.66 9 A 1 ATOM 76 C CD . GLN A 1 9 ? -9.081 -3.993 2.829 1.00 82.55 9 A 1 ATOM 77 O OE1 . GLN A 1 9 ? -9.744 -3.912 3.852 1.00 78.88 9 A 1 ATOM 78 N NE2 . GLN A 1 9 ? -9.678 -4.372 1.718 1.00 73.27 9 A 1 ATOM 79 N N . CYS A 1 10 ? -5.289 -0.874 4.368 1.00 97.15 10 A 1 ATOM 80 C CA . CYS A 1 10 ? -5.009 0.516 4.005 1.00 97.56 10 A 1 ATOM 81 C C . CYS A 1 10 ? -3.534 0.719 3.623 1.00 97.99 10 A 1 ATOM 82 O O . CYS A 1 10 ? -3.245 1.360 2.618 1.00 97.71 10 A 1 ATOM 83 C CB . CYS A 1 10 ? -5.428 1.411 5.179 1.00 96.96 10 A 1 ATOM 84 S SG . CYS A 1 10 ? -5.466 3.142 4.646 1.00 82.70 10 A 1 ATOM 85 N N . MET A 1 11 ? -2.604 0.126 4.378 1.00 96.12 11 A 1 ATOM 86 C CA . MET A 1 11 ? -1.173 0.153 4.053 1.00 96.01 11 A 1 ATOM 87 C C . MET A 1 11 ? -0.876 -0.555 2.731 1.00 96.87 11 A 1 ATOM 88 O O . MET A 1 11 ? -0.160 -0.001 1.906 1.00 96.58 11 A 1 ATOM 89 C CB . MET A 1 11 ? -0.353 -0.475 5.182 1.00 95.53 11 A 1 ATOM 90 C CG . MET A 1 11 ? -0.185 0.485 6.360 1.00 87.96 11 A 1 ATOM 91 S SD . MET A 1 11 ? 0.989 -0.127 7.591 1.00 78.13 11 A 1 ATOM 92 C CE . MET A 1 11 ? 1.195 1.363 8.592 1.00 67.54 11 A 1 ATOM 93 N N . CYS A 1 12 ? -1.466 -1.728 2.478 1.00 97.73 12 A 1 ATOM 94 C CA . CYS A 1 12 ? -1.316 -2.418 1.195 1.00 97.97 12 A 1 ATOM 95 C C . CYS A 1 12 ? -1.829 -1.579 0.022 1.00 98.21 12 A 1 ATOM 96 O O . CYS A 1 12 ? -1.193 -1.548 -1.025 1.00 97.93 12 A 1 ATOM 97 C CB . CYS A 1 12 ? -2.062 -3.755 1.234 1.00 97.59 12 A 1 ATOM 98 S SG . CYS A 1 12 ? -1.011 -5.038 1.957 1.00 86.96 12 A 1 ATOM 99 N N . LEU A 1 13 ? -2.950 -0.882 0.195 1.00 97.50 13 A 1 ATOM 100 C CA . LEU A 1 13 ? -3.503 0.002 -0.830 1.00 97.54 13 A 1 ATOM 101 C C . LEU A 1 13 ? -2.565 1.179 -1.117 1.00 97.82 13 A 1 ATOM 102 O O . LEU A 1 13 ? -2.306 1.485 -2.279 1.00 97.76 13 A 1 ATOM 103 C CB . LEU A 1 13 ? -4.892 0.494 -0.385 1.00 97.63 13 A 1 ATOM 104 C CG . LEU A 1 13 ? -5.819 0.755 -1.584 1.00 87.54 13 A 1 ATOM 105 C CD1 . LEU A 1 13 ? -6.773 -0.430 -1.777 1.00 83.85 13 A 1 ATOM 106 C CD2 . LEU A 1 13 ? -6.658 2.009 -1.367 1.00 88.06 13 A 1 ATOM 107 N N . LEU A 1 14 ? -2.018 1.810 -0.073 1.00 97.63 14 A 1 ATOM 108 C CA . LEU A 1 14 ? -1.028 2.880 -0.205 1.00 97.46 14 A 1 ATOM 109 C C . LEU A 1 14 ? 0.232 2.393 -0.921 1.00 97.54 14 A 1 ATOM 110 O O . LEU A 1 14 ? 0.692 3.063 -1.842 1.00 97.35 14 A 1 ATOM 111 C CB . LEU A 1 14 ? -0.686 3.427 1.192 1.00 97.23 14 A 1 ATOM 112 C CG . LEU A 1 14 ? -1.716 4.439 1.712 1.00 90.90 14 A 1 ATOM 113 C CD1 . LEU A 1 14 ? -1.563 4.618 3.221 1.00 85.88 14 A 1 ATOM 114 C CD2 . LEU A 1 14 ? -1.533 5.803 1.051 1.00 88.92 14 A 1 ATOM 115 N N . CYS A 1 15 ? 0.751 1.215 -0.565 1.00 97.51 15 A 1 ATOM 116 C CA . CYS A 1 15 ? 1.902 0.624 -1.245 1.00 97.59 15 A 1 ATOM 117 C C . CYS A 1 15 ? 1.628 0.378 -2.734 1.00 97.78 15 A 1 ATOM 118 O O . CYS A 1 15 ? 2.490 0.649 -3.559 1.00 97.19 15 A 1 ATOM 119 C CB . CYS A 1 15 ? 2.292 -0.689 -0.553 1.00 97.12 15 A 1 ATOM 120 S SG . CYS A 1 15 ? 3.049 -0.378 1.061 1.00 89.37 15 A 1 ATOM 121 N N . MET A 1 16 ? 0.429 -0.100 -3.099 1.00 96.77 16 A 1 ATOM 122 C CA . MET A 1 16 ? 0.047 -0.269 -4.506 1.00 96.84 16 A 1 ATOM 123 C C . MET A 1 16 ? -0.009 1.060 -5.255 1.00 97.36 16 A 1 ATOM 124 O O . MET A 1 16 ? 0.486 1.140 -6.372 1.00 96.50 16 A 1 ATOM 125 C CB . MET A 1 16 ? -1.311 -0.975 -4.634 1.00 96.45 16 A 1 ATOM 126 C CG . MET A 1 16 ? -1.164 -2.489 -4.747 1.00 91.23 16 A 1 ATOM 127 S SD . MET A 1 16 ? -2.568 -3.251 -5.591 1.00 83.44 16 A 1 ATOM 128 C CE . MET A 1 16 ? -1.970 -4.944 -5.755 1.00 71.81 16 A 1 ATOM 129 N N . VAL A 1 17 ? -0.572 2.106 -4.651 1.00 97.63 17 A 1 ATOM 130 C CA . VAL A 1 17 ? -0.641 3.437 -5.268 1.00 97.52 17 A 1 ATOM 131 C C . VAL A 1 17 ? 0.757 4.017 -5.467 1.00 97.72 17 A 1 ATOM 132 O O . VAL A 1 17 ? 1.044 4.538 -6.542 1.00 97.17 17 A 1 ATOM 133 C CB . VAL A 1 17 ? -1.532 4.378 -4.434 1.00 97.02 17 A 1 ATOM 134 C CG1 . VAL A 1 17 ? -1.484 5.823 -4.937 1.00 94.75 17 A 1 ATOM 135 C CG2 . VAL A 1 17 ? -2.992 3.928 -4.500 1.00 95.27 17 A 1 ATOM 136 N N . ILE A 1 18 ? 1.645 3.889 -4.479 1.00 97.67 18 A 1 ATOM 137 C CA . ILE A 1 18 ? 3.034 4.348 -4.579 1.00 97.39 18 A 1 ATOM 138 C C . ILE A 1 18 ? 3.770 3.584 -5.684 1.00 97.42 18 A 1 ATOM 139 O O . ILE A 1 18 ? 4.421 4.210 -6.513 1.00 96.99 18 A 1 ATOM 140 C CB . ILE A 1 18 ? 3.748 4.221 -3.218 1.00 97.28 18 A 1 ATOM 141 C CG1 . ILE A 1 18 ? 3.148 5.211 -2.196 1.00 96.58 18 A 1 ATOM 142 C CG2 . ILE A 1 18 ? 5.260 4.486 -3.362 1.00 96.68 18 A 1 ATOM 143 C CD1 . ILE A 1 18 ? 3.518 4.895 -0.745 1.00 94.10 18 A 1 ATOM 144 N N . ALA A 1 19 ? 3.632 2.259 -5.739 1.00 97.97 19 A 1 ATOM 145 C CA . ALA A 1 19 ? 4.248 1.450 -6.790 1.00 97.86 19 A 1 ATOM 146 C C . ALA A 1 19 ? 3.727 1.833 -8.186 1.00 97.96 19 A 1 ATOM 147 O O . ALA A 1 19 ? 4.501 1.909 -9.135 1.00 97.16 19 A 1 ATOM 148 C CB . ALA A 1 19 ? 3.981 -0.030 -6.484 1.00 97.53 19 A 1 ATOM 149 N N . LEU A 1 20 ? 2.437 2.127 -8.318 1.00 97.13 20 A 1 ATOM 150 C CA . LEU A 1 20 ? 1.856 2.575 -9.582 1.00 96.87 20 A 1 ATOM 151 C C . LEU A 1 20 ? 2.392 3.951 -9.994 1.00 96.71 20 A 1 ATOM 152 O O . LEU A 1 20 ? 2.717 4.151 -11.162 1.00 95.81 20 A 1 ATOM 153 C CB . LEU A 1 20 ? 0.326 2.580 -9.444 1.00 96.46 20 A 1 ATOM 154 C CG . LEU A 1 20 ? -0.407 2.768 -10.782 1.00 90.44 20 A 1 ATOM 155 C CD1 . LEU A 1 20 ? -0.300 1.515 -11.656 1.00 88.03 20 A 1 ATOM 156 C CD2 . LEU A 1 20 ? -1.891 3.040 -10.530 1.00 89.73 20 A 1 ATOM 157 N N . LEU A 1 21 ? 2.519 4.878 -9.050 1.00 97.21 21 A 1 ATOM 158 C CA . LEU A 1 21 ? 3.098 6.200 -9.296 1.00 96.99 21 A 1 ATOM 159 C C . LEU A 1 21 ? 4.571 6.111 -9.692 1.00 96.87 21 A 1 ATOM 160 O O . LEU A 1 21 ? 4.993 6.839 -10.587 1.00 96.20 21 A 1 ATOM 161 C CB . LEU A 1 21 ? 2.934 7.069 -8.040 1.00 96.59 21 A 1 ATOM 162 C CG . LEU A 1 21 ? 1.503 7.579 -7.817 1.00 93.15 21 A 1 ATOM 163 C CD1 . LEU A 1 21 ? 1.390 8.197 -6.424 1.00 89.40 21 A 1 ATOM 164 C CD2 . LEU A 1 21 ? 1.113 8.647 -8.841 1.00 90.64 21 A 1 ATOM 165 N N . ASP A 1 22 ? 5.331 5.210 -9.070 1.00 96.56 22 A 1 ATOM 166 C CA . ASP A 1 22 ? 6.733 4.967 -9.413 1.00 96.41 22 A 1 ATOM 167 C C . ASP A 1 22 ? 6.870 4.460 -10.856 1.00 96.55 22 A 1 ATOM 168 O O . ASP A 1 22 ? 7.637 5.020 -11.638 1.00 95.55 22 A 1 ATOM 169 C CB . ASP A 1 22 ? 7.313 3.973 -8.400 1.00 95.80 22 A 1 ATOM 170 C CG . ASP A 1 22 ? 8.823 3.856 -8.514 1.00 88.56 22 A 1 ATOM 171 O OD1 . ASP A 1 22 ? 9.278 2.832 -9.054 1.00 82.25 22 A 1 ATOM 172 O OD2 . ASP A 1 22 ? 9.504 4.778 -8.015 1.00 84.00 22 A 1 ATOM 173 N N . VAL A 1 23 ? 6.046 3.480 -11.262 1.00 97.45 23 A 1 ATOM 174 C CA . VAL A 1 23 ? 6.029 2.955 -12.637 1.00 97.09 23 A 1 ATOM 175 C C . VAL A 1 23 ? 5.614 4.026 -13.654 1.00 97.10 23 A 1 ATOM 176 O O . VAL A 1 23 ? 6.174 4.078 -14.745 1.00 96.07 23 A 1 ATOM 177 C CB . VAL A 1 23 ? 5.101 1.728 -12.735 1.00 96.35 23 A 1 ATOM 178 C CG1 . VAL A 1 23 ? 4.893 1.246 -14.176 1.00 92.67 23 A 1 ATOM 179 C CG2 . VAL A 1 23 ? 5.686 0.547 -11.956 1.00 93.02 23 A 1 ATOM 180 N N . VAL A 1 24 ? 4.649 4.886 -13.323 1.00 96.94 24 A 1 ATOM 181 C CA . VAL A 1 24 ? 4.191 5.960 -14.224 1.00 96.39 24 A 1 ATOM 182 C C . VAL A 1 24 ? 5.209 7.103 -14.317 1.00 95.83 24 A 1 ATOM 183 O O . VAL A 1 24 ? 5.265 7.786 -15.339 1.00 94.59 24 A 1 ATOM 184 C CB . VAL A 1 24 ? 2.807 6.472 -13.776 1.00 95.62 24 A 1 ATOM 185 C CG1 . VAL A 1 24 ? 2.336 7.721 -14.529 1.00 89.93 24 A 1 ATOM 186 C CG2 . VAL A 1 24 ? 1.739 5.396 -14.010 1.00 89.97 24 A 1 ATOM 187 N N . SER A 1 25 ? 6.005 7.311 -13.268 1.00 95.79 25 A 1 ATOM 188 C CA . SER A 1 25 ? 7.011 8.380 -13.213 1.00 94.96 25 A 1 ATOM 189 C C . SER A 1 25 ? 8.360 7.975 -13.812 1.00 93.25 25 A 1 ATOM 190 O O . SER A 1 25 ? 9.188 8.855 -14.051 1.00 89.78 25 A 1 ATOM 191 C CB . SER A 1 25 ? 7.207 8.849 -11.770 1.00 93.18 25 A 1 ATOM 192 O OG . SER A 1 25 ? 5.982 9.288 -11.209 1.00 80.20 25 A 1 ATOM 193 N N . SER A 1 26 ? 8.581 6.679 -14.034 1.00 93.54 26 A 1 ATOM 194 C CA . SER A 1 26 ? 9.810 6.128 -14.634 1.00 92.35 26 A 1 ATOM 195 C C . SER A 1 26 ? 9.660 5.924 -16.136 1.00 87.85 26 A 1 ATOM 196 O O . SER A 1 26 ? 10.628 6.229 -16.868 1.00 80.55 26 A 1 ATOM 197 C CB . SER A 1 26 ? 10.179 4.797 -13.969 1.00 88.35 26 A 1 ATOM 198 O OG . SER A 1 26 ? 10.445 4.974 -12.596 1.00 76.59 26 A 1 ATOM 199 O OXT . SER A 1 26 ? 8.589 5.431 -16.558 1.00 75.49 26 A 1 #