# 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_spkb35454 # _entry.id spkb35454 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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 SER 3 1 n LEU 4 1 n LYS 5 1 n LYS 6 1 n PHE 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n VAL 11 1 n LEU 12 1 n PHE 13 1 n LEU 14 1 n GLY 15 1 n MET 16 1 n VAL 17 1 n SER 18 1 n LEU 19 1 n SER 20 1 n ILE 21 1 n CYS 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 14:22:10)" _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 90.52 _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 78.48 1 1 A ALA 2 2 90.47 1 2 A SER 3 2 91.21 1 3 A LEU 4 2 89.08 1 4 A LYS 5 2 86.75 1 5 A LYS 6 2 88.24 1 6 A PHE 7 2 91.44 1 7 A LEU 8 2 91.65 1 8 A PHE 9 2 91.71 1 9 A LEU 10 2 93.73 1 10 A VAL 11 2 96.07 1 11 A LEU 12 2 92.90 1 12 A PHE 13 2 92.66 1 13 A LEU 14 2 94.09 1 14 A GLY 15 2 96.87 1 15 A MET 16 2 90.17 1 16 A VAL 17 2 95.38 1 17 A SER 18 2 94.90 1 18 A LEU 19 2 91.44 1 19 A SER 20 2 91.05 1 20 A ILE 21 2 86.81 1 21 A CYS 22 2 80.10 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 ALA . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n MET . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n CYS . 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 ? -0.287 -16.000 -0.309 1.00 84.99 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.544 -15.338 0.992 1.00 88.22 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.347 -14.114 1.169 1.00 88.62 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.143 -13.013 1.411 1.00 82.57 1 A 1 ATOM 5 C CB . MET A 1 1 ? -0.319 -16.326 2.148 1.00 80.56 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.701 -15.750 3.503 1.00 73.56 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.459 -15.442 3.675 1.00 67.44 1 A 1 ATOM 8 C CE . MET A 1 1 ? -3.075 -17.098 3.955 1.00 61.90 1 A 1 ATOM 9 N N . ALA A 1 2 ? 1.652 -14.307 1.048 1.00 88.39 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 2.600 -13.201 1.197 1.00 92.06 2 A 1 ATOM 11 C C . ALA A 1 2 ? 2.395 -12.134 0.128 1.00 93.55 2 A 1 ATOM 12 O O . ALA A 1 2 ? 2.385 -10.938 0.420 1.00 90.51 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 4.033 -13.723 1.148 1.00 87.83 2 A 1 ATOM 14 N N . SER A 1 3 ? 2.229 -12.569 -1.114 1.00 93.15 3 A 1 ATOM 15 C CA . SER A 1 3 ? 2.014 -11.647 -2.224 1.00 94.83 3 A 1 ATOM 16 C C . SER A 1 3 ? 0.710 -10.873 -2.058 1.00 95.56 3 A 1 ATOM 17 O O . SER A 1 3 ? 0.649 -9.671 -2.327 1.00 93.68 3 A 1 ATOM 18 C CB . SER A 1 3 ? 1.998 -12.411 -3.549 1.00 91.48 3 A 1 ATOM 19 O OG . SER A 1 3 ? 1.022 -13.427 -3.532 1.00 78.55 3 A 1 ATOM 20 N N . LEU A 1 4 ? -0.331 -11.564 -1.600 1.00 93.78 4 A 1 ATOM 21 C CA . LEU A 1 4 ? -1.636 -10.938 -1.388 1.00 95.00 4 A 1 ATOM 22 C C . LEU A 1 4 ? -1.553 -9.894 -0.277 1.00 96.02 4 A 1 ATOM 23 O O . LEU A 1 4 ? -2.068 -8.779 -0.413 1.00 94.70 4 A 1 ATOM 24 C CB . LEU A 1 4 ? -2.681 -12.009 -1.047 1.00 93.54 4 A 1 ATOM 25 C CG . LEU A 1 4 ? -4.136 -11.599 -1.287 1.00 83.03 4 A 1 ATOM 26 C CD1 . LEU A 1 4 ? -5.031 -12.832 -1.266 1.00 78.27 4 A 1 ATOM 27 C CD2 . LEU A 1 4 ? -4.623 -10.601 -0.249 1.00 78.28 4 A 1 ATOM 28 N N . LYS A 1 5 ? -0.898 -10.257 0.823 1.00 95.95 5 A 1 ATOM 29 C CA . LYS A 1 5 ? -0.738 -9.353 1.961 1.00 96.24 5 A 1 ATOM 30 C C . LYS A 1 5 ? 0.059 -8.118 1.574 1.00 96.47 5 A 1 ATOM 31 O O . LYS A 1 5 ? -0.307 -6.995 1.926 1.00 95.65 5 A 1 ATOM 32 C CB . LYS A 1 5 ? -0.050 -10.097 3.114 1.00 94.91 5 A 1 ATOM 33 C CG . LYS A 1 5 ? 0.214 -9.246 4.341 1.00 85.57 5 A 1 ATOM 34 C CD . LYS A 1 5 ? -1.015 -9.038 5.209 1.00 80.31 5 A 1 ATOM 35 C CE . LYS A 1 5 ? -1.887 -7.907 4.724 1.00 71.94 5 A 1 ATOM 36 N NZ . LYS A 1 5 ? -3.044 -7.678 5.644 1.00 63.67 5 A 1 ATOM 37 N N . LYS A 1 6 ? 1.151 -8.319 0.845 1.00 96.03 6 A 1 ATOM 38 C CA . LYS A 1 6 ? 2.009 -7.215 0.418 1.00 96.34 6 A 1 ATOM 39 C C . LYS A 1 6 ? 1.257 -6.280 -0.532 1.00 96.78 6 A 1 ATOM 40 O O . LYS A 1 6 ? 1.346 -5.057 -0.410 1.00 95.85 6 A 1 ATOM 41 C CB . LYS A 1 6 ? 3.271 -7.748 -0.253 1.00 95.46 6 A 1 ATOM 42 C CG . LYS A 1 6 ? 4.288 -6.653 -0.519 1.00 88.24 6 A 1 ATOM 43 C CD . LYS A 1 6 ? 5.644 -7.217 -0.914 1.00 82.14 6 A 1 ATOM 44 C CE . LYS A 1 6 ? 5.650 -7.711 -2.344 1.00 75.87 6 A 1 ATOM 45 N NZ . LYS A 1 6 ? 7.026 -8.094 -2.769 1.00 67.42 6 A 1 ATOM 46 N N . PHE A 1 7 ? 0.519 -6.865 -1.469 1.00 94.44 7 A 1 ATOM 47 C CA . PHE A 1 7 ? -0.260 -6.078 -2.423 1.00 94.91 7 A 1 ATOM 48 C C . PHE A 1 7 ? -1.328 -5.260 -1.708 1.00 95.96 7 A 1 ATOM 49 O O . PHE A 1 7 ? -1.508 -4.073 -1.988 1.00 94.87 7 A 1 ATOM 50 C CB . PHE A 1 7 ? -0.915 -6.998 -3.455 1.00 94.52 7 A 1 ATOM 51 C CG . PHE A 1 7 ? -1.687 -6.240 -4.504 1.00 92.41 7 A 1 ATOM 52 C CD1 . PHE A 1 7 ? -1.027 -5.586 -5.531 1.00 88.71 7 A 1 ATOM 53 C CD2 . PHE A 1 7 ? -3.071 -6.176 -4.445 1.00 89.68 7 A 1 ATOM 54 C CE1 . PHE A 1 7 ? -1.733 -4.884 -6.494 1.00 86.24 7 A 1 ATOM 55 C CE2 . PHE A 1 7 ? -3.785 -5.469 -5.408 1.00 87.79 7 A 1 ATOM 56 C CZ . PHE A 1 7 ? -3.113 -4.827 -6.431 1.00 86.30 7 A 1 ATOM 57 N N . LEU A 1 8 ? -2.029 -5.898 -0.781 1.00 96.19 8 A 1 ATOM 58 C CA . LEU A 1 8 ? -3.066 -5.221 -0.008 1.00 96.24 8 A 1 ATOM 59 C C . LEU A 1 8 ? -2.483 -4.057 0.783 1.00 96.86 8 A 1 ATOM 60 O O . LEU A 1 8 ? -3.083 -2.984 0.857 1.00 96.87 8 A 1 ATOM 61 C CB . LEU A 1 8 ? -3.736 -6.211 0.949 1.00 96.18 8 A 1 ATOM 62 C CG . LEU A 1 8 ? -4.877 -5.617 1.773 1.00 86.40 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? -6.028 -5.191 0.870 1.00 81.08 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? -5.364 -6.617 2.808 1.00 83.38 8 A 1 ATOM 65 N N . PHE A 1 9 ? -1.312 -4.272 1.366 1.00 95.26 9 A 1 ATOM 66 C CA . PHE A 1 9 ? -0.630 -3.237 2.138 1.00 95.54 9 A 1 ATOM 67 C C . PHE A 1 9 ? -0.293 -2.037 1.258 1.00 96.03 9 A 1 ATOM 68 O O . PHE A 1 9 ? -0.498 -0.890 1.652 1.00 95.67 9 A 1 ATOM 69 C CB . PHE A 1 9 ? 0.650 -3.798 2.760 1.00 95.15 9 A 1 ATOM 70 C CG . PHE A 1 9 ? 1.404 -2.778 3.584 1.00 91.56 9 A 1 ATOM 71 C CD1 . PHE A 1 9 ? 0.976 -2.439 4.857 1.00 87.90 9 A 1 ATOM 72 C CD2 . PHE A 1 9 ? 2.526 -2.153 3.062 1.00 89.41 9 A 1 ATOM 73 C CE1 . PHE A 1 9 ? 1.660 -1.498 5.612 1.00 86.90 9 A 1 ATOM 74 C CE2 . PHE A 1 9 ? 3.217 -1.201 3.813 1.00 88.30 9 A 1 ATOM 75 C CZ . PHE A 1 9 ? 2.784 -0.878 5.089 1.00 87.12 9 A 1 ATOM 76 N N . LEU A 1 10 ? 0.224 -2.299 0.070 1.00 96.52 10 A 1 ATOM 77 C CA . LEU A 1 10 ? 0.581 -1.233 -0.862 1.00 96.51 10 A 1 ATOM 78 C C . LEU A 1 10 ? -0.648 -0.436 -1.292 1.00 96.95 10 A 1 ATOM 79 O O . LEU A 1 10 ? -0.608 0.794 -1.365 1.00 96.83 10 A 1 ATOM 80 C CB . LEU A 1 10 ? 1.265 -1.828 -2.095 1.00 96.44 10 A 1 ATOM 81 C CG . LEU A 1 10 ? 2.651 -2.411 -1.840 1.00 91.51 10 A 1 ATOM 82 C CD1 . LEU A 1 10 ? 3.130 -3.190 -3.057 1.00 86.67 10 A 1 ATOM 83 C CD2 . LEU A 1 10 ? 3.646 -1.311 -1.498 1.00 88.39 10 A 1 ATOM 84 N N . VAL A 1 11 ? -1.736 -1.134 -1.574 1.00 97.59 11 A 1 ATOM 85 C CA . VAL A 1 11 ? -2.972 -0.489 -2.010 1.00 97.34 11 A 1 ATOM 86 C C . VAL A 1 11 ? -3.555 0.401 -0.919 1.00 97.32 11 A 1 ATOM 87 O O . VAL A 1 11 ? -3.862 1.570 -1.157 1.00 96.55 11 A 1 ATOM 88 C CB . VAL A 1 11 ? -4.022 -1.532 -2.436 1.00 96.68 11 A 1 ATOM 89 C CG1 . VAL A 1 11 ? -5.348 -0.856 -2.774 1.00 93.60 11 A 1 ATOM 90 C CG2 . VAL A 1 11 ? -3.520 -2.321 -3.636 1.00 93.41 11 A 1 ATOM 91 N N . LEU A 1 12 ? -3.714 -0.156 0.274 1.00 97.04 12 A 1 ATOM 92 C CA . LEU A 1 12 ? -4.294 0.606 1.376 1.00 96.79 12 A 1 ATOM 93 C C . LEU A 1 12 ? -3.376 1.750 1.802 1.00 97.08 12 A 1 ATOM 94 O O . LEU A 1 12 ? -3.845 2.839 2.141 1.00 96.85 12 A 1 ATOM 95 C CB . LEU A 1 12 ? -4.611 -0.319 2.564 1.00 96.56 12 A 1 ATOM 96 C CG . LEU A 1 12 ? -3.411 -0.995 3.226 1.00 88.71 12 A 1 ATOM 97 C CD1 . LEU A 1 12 ? -2.845 -0.123 4.341 1.00 84.26 12 A 1 ATOM 98 C CD2 . LEU A 1 12 ? -3.829 -2.345 3.796 1.00 85.91 12 A 1 ATOM 99 N N . PHE A 1 13 ? -2.064 1.519 1.776 1.00 95.69 13 A 1 ATOM 100 C CA . PHE A 1 13 ? -1.093 2.541 2.153 1.00 95.64 13 A 1 ATOM 101 C C . PHE A 1 13 ? -1.126 3.694 1.159 1.00 96.11 13 A 1 ATOM 102 O O . PHE A 1 13 ? -1.172 4.864 1.552 1.00 95.58 13 A 1 ATOM 103 C CB . PHE A 1 13 ? 0.310 1.937 2.210 1.00 95.19 13 A 1 ATOM 104 C CG . PHE A 1 13 ? 1.350 2.895 2.747 1.00 92.38 13 A 1 ATOM 105 C CD1 . PHE A 1 13 ? 1.440 3.157 4.104 1.00 89.69 13 A 1 ATOM 106 C CD2 . PHE A 1 13 ? 2.221 3.535 1.877 1.00 90.60 13 A 1 ATOM 107 C CE1 . PHE A 1 13 ? 2.392 4.041 4.591 1.00 88.76 13 A 1 ATOM 108 C CE2 . PHE A 1 13 ? 3.174 4.427 2.364 1.00 89.69 13 A 1 ATOM 109 C CZ . PHE A 1 13 ? 3.259 4.678 3.721 1.00 89.89 13 A 1 ATOM 110 N N . LEU A 1 14 ? -1.103 3.375 -0.123 1.00 97.23 14 A 1 ATOM 111 C CA . LEU A 1 14 ? -1.142 4.389 -1.174 1.00 97.03 14 A 1 ATOM 112 C C . LEU A 1 14 ? -2.434 5.191 -1.101 1.00 97.27 14 A 1 ATOM 113 O O . LEU A 1 14 ? -2.434 6.413 -1.265 1.00 96.56 14 A 1 ATOM 114 C CB . LEU A 1 14 ? -1.004 3.727 -2.552 1.00 96.40 14 A 1 ATOM 115 C CG . LEU A 1 14 ? 0.223 4.159 -3.354 1.00 92.27 14 A 1 ATOM 116 C CD1 . LEU A 1 14 ? 0.177 5.651 -3.625 1.00 87.62 14 A 1 ATOM 117 C CD2 . LEU A 1 14 ? 1.493 3.798 -2.599 1.00 88.30 14 A 1 ATOM 118 N N . GLY A 1 15 ? -3.537 4.493 -0.853 1.00 97.28 15 A 1 ATOM 119 C CA . GLY A 1 15 ? -4.832 5.154 -0.740 1.00 96.93 15 A 1 ATOM 120 C C . GLY A 1 15 ? -4.874 6.144 0.410 1.00 97.08 15 A 1 ATOM 121 O O . GLY A 1 15 ? -5.329 7.277 0.254 1.00 96.18 15 A 1 ATOM 122 N N . MET A 1 16 ? -4.388 5.719 1.566 1.00 96.30 16 A 1 ATOM 123 C CA . MET A 1 16 ? -4.370 6.575 2.752 1.00 96.15 16 A 1 ATOM 124 C C . MET A 1 16 ? -3.453 7.782 2.554 1.00 96.40 16 A 1 ATOM 125 O O . MET A 1 16 ? -3.813 8.908 2.893 1.00 94.56 16 A 1 ATOM 126 C CB . MET A 1 16 ? -3.908 5.777 3.974 1.00 94.93 16 A 1 ATOM 127 C CG . MET A 1 16 ? -4.916 4.729 4.409 1.00 90.06 16 A 1 ATOM 128 S SD . MET A 1 16 ? -4.363 3.788 5.838 1.00 81.17 16 A 1 ATOM 129 C CE . MET A 1 16 ? -5.779 2.721 6.081 1.00 71.82 16 A 1 ATOM 130 N N . VAL A 1 17 ? -2.274 7.538 2.001 1.00 97.43 17 A 1 ATOM 131 C CA . VAL A 1 17 ? -1.307 8.608 1.758 1.00 97.04 17 A 1 ATOM 132 C C . VAL A 1 17 ? -1.864 9.625 0.765 1.00 97.09 17 A 1 ATOM 133 O O . VAL A 1 17 ? -1.736 10.836 0.964 1.00 96.00 17 A 1 ATOM 134 C CB . VAL A 1 17 ? 0.028 8.046 1.235 1.00 96.02 17 A 1 ATOM 135 C CG1 . VAL A 1 17 ? 0.981 9.174 0.855 1.00 91.91 17 A 1 ATOM 136 C CG2 . VAL A 1 17 ? 0.672 7.157 2.283 1.00 92.20 17 A 1 ATOM 137 N N . SER A 1 18 ? -2.488 9.132 -0.291 1.00 97.15 18 A 1 ATOM 138 C CA . SER A 1 18 ? -3.069 9.999 -1.313 1.00 97.09 18 A 1 ATOM 139 C C . SER A 1 18 ? -4.135 10.917 -0.718 1.00 96.92 18 A 1 ATOM 140 O O . SER A 1 18 ? -4.166 12.113 -0.999 1.00 95.51 18 A 1 ATOM 141 C CB . SER A 1 18 ? -3.674 9.162 -2.435 1.00 96.18 18 A 1 ATOM 142 O OG . SER A 1 18 ? -2.683 8.394 -3.083 1.00 86.56 18 A 1 ATOM 143 N N . LEU A 1 19 ? -4.990 10.359 0.114 1.00 96.77 19 A 1 ATOM 144 C CA . LEU A 1 19 ? -6.048 11.136 0.757 1.00 96.15 19 A 1 ATOM 145 C C . LEU A 1 19 ? -5.468 12.181 1.704 1.00 96.03 19 A 1 ATOM 146 O O . LEU A 1 19 ? -6.005 13.284 1.826 1.00 94.20 19 A 1 ATOM 147 C CB . LEU A 1 19 ? -6.983 10.203 1.532 1.00 95.04 19 A 1 ATOM 148 C CG . LEU A 1 19 ? -7.826 9.275 0.659 1.00 88.79 19 A 1 ATOM 149 C CD1 . LEU A 1 19 ? -8.536 8.243 1.524 1.00 82.35 19 A 1 ATOM 150 C CD2 . LEU A 1 19 ? -8.843 10.075 -0.143 1.00 82.19 19 A 1 ATOM 151 N N . SER A 1 20 ? -4.384 11.828 2.372 1.00 94.74 20 A 1 ATOM 152 C CA . SER A 1 20 ? -3.733 12.727 3.322 1.00 94.41 20 A 1 ATOM 153 C C . SER A 1 20 ? -3.092 13.926 2.627 1.00 94.05 20 A 1 ATOM 154 O O . SER A 1 20 ? -3.182 15.057 3.106 1.00 90.73 20 A 1 ATOM 155 C CB . SER A 1 20 ? -2.669 11.977 4.121 1.00 92.06 20 A 1 ATOM 156 O OG . SER A 1 20 ? -2.104 12.814 5.100 1.00 80.29 20 A 1 ATOM 157 N N . ILE A 1 21 ? -2.426 13.674 1.507 1.00 93.51 21 A 1 ATOM 158 C CA . ILE A 1 21 ? -1.744 14.734 0.768 1.00 92.43 21 A 1 ATOM 159 C C . ILE A 1 21 ? -2.680 15.485 -0.175 1.00 91.38 21 A 1 ATOM 160 O O . ILE A 1 21 ? -2.463 16.661 -0.470 1.00 87.28 21 A 1 ATOM 161 C CB . ILE A 1 21 ? -0.552 14.177 -0.037 1.00 89.71 21 A 1 ATOM 162 C CG1 . ILE A 1 21 ? -1.016 13.128 -1.041 1.00 83.96 21 A 1 ATOM 163 C CG2 . ILE A 1 21 ? 0.491 13.602 0.914 1.00 80.43 21 A 1 ATOM 164 C CD1 . ILE A 1 21 ? 0.084 12.620 -1.956 1.00 75.82 21 A 1 ATOM 165 N N . CYS A 1 22 ? -3.718 14.798 -0.656 1.00 90.74 22 A 1 ATOM 166 C CA . CYS A 1 22 ? -4.672 15.391 -1.594 1.00 88.06 22 A 1 ATOM 167 C C . CYS A 1 22 ? -5.718 16.237 -0.858 1.00 85.60 22 A 1 ATOM 168 O O . CYS A 1 22 ? -5.362 17.274 -0.296 1.00 79.16 22 A 1 ATOM 169 C CB . CYS A 1 22 ? -5.344 14.291 -2.428 1.00 79.41 22 A 1 ATOM 170 S SG . CYS A 1 22 ? -4.255 13.516 -3.631 1.00 70.26 22 A 1 ATOM 171 O OXT . CYS A 1 22 ? -6.916 15.879 -0.850 1.00 67.50 22 A 1 #