# 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_spkb17090 # _entry.id spkb17090 # 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 "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" "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" "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 ASP 2 1 n PHE 3 1 n LEU 4 1 n LYS 5 1 n LYS 6 1 n SER 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n VAL 11 1 n VAL 12 1 n PHE 13 1 n LEU 14 1 n GLY 15 1 n LEU 16 1 n VAL 17 1 n SER 18 1 n LEU 19 1 n SER 20 1 n VAL 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 @ 2025-07-10 02:51:24)" _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 91.39 _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 79.66 1 1 A ASP 2 2 86.15 1 2 A PHE 3 2 91.00 1 3 A LEU 4 2 90.51 1 4 A LYS 5 2 88.96 1 5 A LYS 6 2 89.28 1 6 A SER 7 2 93.07 1 7 A LEU 8 2 92.32 1 8 A PHE 9 2 92.42 1 9 A LEU 10 2 93.36 1 10 A VAL 11 2 96.52 1 11 A VAL 12 2 96.10 1 12 A PHE 13 2 93.72 1 13 A LEU 14 2 95.16 1 14 A GLY 15 2 97.42 1 15 A LEU 16 2 95.11 1 16 A VAL 17 2 96.35 1 17 A SER 18 2 95.84 1 18 A LEU 19 2 93.59 1 19 A SER 20 2 92.50 1 20 A VAL 21 2 88.86 1 21 A CYS 22 2 76.65 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 ASP . 2 A 2 A 3 1 n PHE . 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 SER . 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 VAL . 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 LEU . 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 VAL . 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 ? -9.418 6.331 16.003 1.00 86.41 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.993 6.094 15.711 1.00 89.20 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.807 5.748 14.241 1.00 89.96 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.080 4.622 13.832 1.00 85.63 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.450 4.962 16.585 1.00 83.21 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.941 4.787 16.445 1.00 76.02 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.265 3.554 17.561 1.00 66.58 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.489 4.361 19.132 1.00 60.28 1 A 1 ATOM 9 N N . ASP A 1 2 ? -7.366 6.714 13.467 1.00 91.30 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -7.182 6.547 12.031 1.00 93.47 2 A 1 ATOM 11 C C . ASP A 1 2 ? -5.728 6.250 11.685 1.00 94.56 2 A 1 ATOM 12 O O . ASP A 1 2 ? -5.362 6.209 10.509 1.00 92.79 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -7.634 7.808 11.300 1.00 90.03 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -6.851 9.025 11.745 1.00 78.61 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -7.028 9.449 12.896 1.00 73.85 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -6.071 9.544 10.930 1.00 74.58 2 A 1 ATOM 17 N N . PHE A 1 3 ? -4.911 6.051 12.710 1.00 95.28 3 A 1 ATOM 18 C CA . PHE A 1 3 ? -3.493 5.777 12.500 1.00 95.80 3 A 1 ATOM 19 C C . PHE A 1 3 ? -3.298 4.482 11.720 1.00 96.45 3 A 1 ATOM 20 O O . PHE A 1 3 ? -2.412 4.383 10.868 1.00 95.70 3 A 1 ATOM 21 C CB . PHE A 1 3 ? -2.769 5.692 13.845 1.00 94.76 3 A 1 ATOM 22 C CG . PHE A 1 3 ? -1.291 5.454 13.696 1.00 91.12 3 A 1 ATOM 23 C CD1 . PHE A 1 3 ? -0.441 6.493 13.365 1.00 88.21 3 A 1 ATOM 24 C CD2 . PHE A 1 3 ? -0.766 4.191 13.881 1.00 87.55 3 A 1 ATOM 25 C CE1 . PHE A 1 3 ? 0.917 6.283 13.222 1.00 85.34 3 A 1 ATOM 26 C CE2 . PHE A 1 3 ? 0.597 3.964 13.734 1.00 86.75 3 A 1 ATOM 27 C CZ . PHE A 1 3 ? 1.435 5.014 13.405 1.00 84.05 3 A 1 ATOM 28 N N . LEU A 1 4 ? -4.146 3.490 12.002 1.00 95.22 4 A 1 ATOM 29 C CA . LEU A 1 4 ? -4.063 2.203 11.324 1.00 95.70 4 A 1 ATOM 30 C C . LEU A 1 4 ? -4.343 2.364 9.837 1.00 96.29 4 A 1 ATOM 31 O O . LEU A 1 4 ? -3.657 1.781 8.993 1.00 96.28 4 A 1 ATOM 32 C CB . LEU A 1 4 ? -5.047 1.202 11.944 1.00 95.45 4 A 1 ATOM 33 C CG . LEU A 1 4 ? -4.605 0.592 13.279 1.00 85.32 4 A 1 ATOM 34 C CD1 . LEU A 1 4 ? -3.302 -0.175 13.077 1.00 79.95 4 A 1 ATOM 35 C CD2 . LEU A 1 4 ? -4.424 1.665 14.342 1.00 79.88 4 A 1 ATOM 36 N N . LYS A 1 5 ? -5.363 3.157 9.524 1.00 95.78 5 A 1 ATOM 37 C CA . LYS A 1 5 ? -5.716 3.405 8.132 1.00 96.16 5 A 1 ATOM 38 C C . LYS A 1 5 ? -4.578 4.123 7.412 1.00 96.00 5 A 1 ATOM 39 O O . LYS A 1 5 ? -4.278 3.827 6.259 1.00 95.68 5 A 1 ATOM 40 C CB . LYS A 1 5 ? -6.992 4.238 8.050 1.00 95.77 5 A 1 ATOM 41 C CG . LYS A 1 5 ? -7.486 4.415 6.627 1.00 88.62 5 A 1 ATOM 42 C CD . LYS A 1 5 ? -8.807 5.156 6.590 1.00 84.47 5 A 1 ATOM 43 C CE . LYS A 1 5 ? -9.326 5.283 5.164 1.00 77.90 5 A 1 ATOM 44 N NZ . LYS A 1 5 ? -8.404 6.053 4.301 1.00 70.27 5 A 1 ATOM 45 N N . LYS A 1 6 ? -3.955 5.059 8.108 1.00 96.01 6 A 1 ATOM 46 C CA . LYS A 1 6 ? -2.834 5.802 7.546 1.00 96.16 6 A 1 ATOM 47 C C . LYS A 1 6 ? -1.667 4.871 7.269 1.00 96.51 6 A 1 ATOM 48 O O . LYS A 1 6 ? -1.012 4.968 6.232 1.00 95.88 6 A 1 ATOM 49 C CB . LYS A 1 6 ? -2.412 6.903 8.516 1.00 95.69 6 A 1 ATOM 50 C CG . LYS A 1 6 ? -1.300 7.793 7.982 1.00 89.42 6 A 1 ATOM 51 C CD . LYS A 1 6 ? -1.779 8.620 6.810 1.00 83.67 6 A 1 ATOM 52 C CE . LYS A 1 6 ? -0.711 9.601 6.352 1.00 79.30 6 A 1 ATOM 53 N NZ . LYS A 1 6 ? -1.203 10.476 5.256 1.00 70.90 6 A 1 ATOM 54 N N . SER A 1 7 ? -1.422 3.961 8.197 1.00 95.12 7 A 1 ATOM 55 C CA . SER A 1 7 ? -0.320 3.018 8.075 1.00 95.19 7 A 1 ATOM 56 C C . SER A 1 7 ? -0.529 2.072 6.901 1.00 95.77 7 A 1 ATOM 57 O O . SER A 1 7 ? 0.363 1.896 6.074 1.00 94.95 7 A 1 ATOM 58 C CB . SER A 1 7 ? -0.171 2.216 9.364 1.00 94.50 7 A 1 ATOM 59 O OG . SER A 1 7 ? 0.111 3.083 10.453 1.00 82.87 7 A 1 ATOM 60 N N . LEU A 1 8 ? -1.716 1.461 6.827 1.00 95.33 8 A 1 ATOM 61 C CA . LEU A 1 8 ? -1.995 0.521 5.750 1.00 95.63 8 A 1 ATOM 62 C C . LEU A 1 8 ? -1.967 1.218 4.396 1.00 96.18 8 A 1 ATOM 63 O O . LEU A 1 8 ? -1.563 0.625 3.393 1.00 96.13 8 A 1 ATOM 64 C CB . LEU A 1 8 ? -3.342 -0.180 5.987 1.00 95.66 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -4.577 0.715 5.883 1.00 89.07 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? -5.077 0.801 4.447 1.00 84.54 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -5.690 0.175 6.775 1.00 86.01 8 A 1 ATOM 68 N N . PHE A 1 9 ? -2.396 2.473 4.361 1.00 95.26 9 A 1 ATOM 69 C CA . PHE A 1 9 ? -2.384 3.242 3.124 1.00 95.41 9 A 1 ATOM 70 C C . PHE A 1 9 ? -0.959 3.392 2.608 1.00 96.11 9 A 1 ATOM 71 O O . PHE A 1 9 ? -0.701 3.245 1.413 1.00 95.92 9 A 1 ATOM 72 C CB . PHE A 1 9 ? -3.008 4.619 3.350 1.00 95.01 9 A 1 ATOM 73 C CG . PHE A 1 9 ? -3.055 5.454 2.097 1.00 92.49 9 A 1 ATOM 74 C CD1 . PHE A 1 9 ? -4.045 5.253 1.152 1.00 88.93 9 A 1 ATOM 75 C CD2 . PHE A 1 9 ? -2.100 6.427 1.871 1.00 90.36 9 A 1 ATOM 76 C CE1 . PHE A 1 9 ? -4.091 6.012 -0.003 1.00 88.40 9 A 1 ATOM 77 C CE2 . PHE A 1 9 ? -2.133 7.191 0.710 1.00 89.41 9 A 1 ATOM 78 C CZ . PHE A 1 9 ? -3.129 6.983 -0.224 1.00 89.35 9 A 1 ATOM 79 N N . LEU A 1 10 ? -0.036 3.666 3.510 1.00 96.43 10 A 1 ATOM 80 C CA . LEU A 1 10 ? 1.367 3.811 3.146 1.00 96.59 10 A 1 ATOM 81 C C . LEU A 1 10 ? 1.934 2.494 2.632 1.00 97.11 10 A 1 ATOM 82 O O . LEU A 1 10 ? 2.708 2.473 1.674 1.00 96.99 10 A 1 ATOM 83 C CB . LEU A 1 10 ? 2.174 4.283 4.356 1.00 96.41 10 A 1 ATOM 84 C CG . LEU A 1 10 ? 1.824 5.689 4.839 1.00 90.07 10 A 1 ATOM 85 C CD1 . LEU A 1 10 ? 2.578 6.005 6.122 1.00 85.74 10 A 1 ATOM 86 C CD2 . LEU A 1 10 ? 2.144 6.719 3.769 1.00 87.53 10 A 1 ATOM 87 N N . VAL A 1 11 ? 1.539 1.403 3.267 1.00 97.43 11 A 1 ATOM 88 C CA . VAL A 1 11 ? 1.996 0.078 2.857 1.00 97.49 11 A 1 ATOM 89 C C . VAL A 1 11 ? 1.505 -0.247 1.454 1.00 97.83 11 A 1 ATOM 90 O O . VAL A 1 11 ? 2.262 -0.750 0.618 1.00 97.42 11 A 1 ATOM 91 C CB . VAL A 1 11 ? 1.515 -1.000 3.838 1.00 96.92 11 A 1 ATOM 92 C CG1 . VAL A 1 11 ? 1.922 -2.387 3.352 1.00 94.37 11 A 1 ATOM 93 C CG2 . VAL A 1 11 ? 2.082 -0.740 5.221 1.00 94.15 11 A 1 ATOM 94 N N . VAL A 1 12 ? 0.236 0.040 1.203 1.00 97.26 12 A 1 ATOM 95 C CA . VAL A 1 12 ? -0.345 -0.208 -0.113 1.00 97.33 12 A 1 ATOM 96 C C . VAL A 1 12 ? 0.376 0.617 -1.170 1.00 97.61 12 A 1 ATOM 97 O O . VAL A 1 12 ? 0.699 0.120 -2.254 1.00 97.15 12 A 1 ATOM 98 C CB . VAL A 1 12 ? -1.844 0.125 -0.129 1.00 96.85 12 A 1 ATOM 99 C CG1 . VAL A 1 12 ? -2.408 0.021 -1.542 1.00 93.64 12 A 1 ATOM 100 C CG2 . VAL A 1 12 ? -2.595 -0.810 0.805 1.00 92.84 12 A 1 ATOM 101 N N . PHE A 1 13 ? 0.636 1.863 -0.845 1.00 96.32 13 A 1 ATOM 102 C CA . PHE A 1 13 ? 1.342 2.750 -1.758 1.00 96.57 13 A 1 ATOM 103 C C . PHE A 1 13 ? 2.729 2.209 -2.061 1.00 97.07 13 A 1 ATOM 104 O O . PHE A 1 13 ? 3.179 2.231 -3.206 1.00 96.79 13 A 1 ATOM 105 C CB . PHE A 1 13 ? 1.443 4.150 -1.161 1.00 96.10 13 A 1 ATOM 106 C CG . PHE A 1 13 ? 2.098 5.138 -2.090 1.00 93.65 13 A 1 ATOM 107 C CD1 . PHE A 1 13 ? 1.388 5.704 -3.133 1.00 91.15 13 A 1 ATOM 108 C CD2 . PHE A 1 13 ? 3.428 5.484 -1.917 1.00 91.61 13 A 1 ATOM 109 C CE1 . PHE A 1 13 ? 1.991 6.609 -3.992 1.00 90.03 13 A 1 ATOM 110 C CE2 . PHE A 1 13 ? 4.038 6.388 -2.780 1.00 90.47 13 A 1 ATOM 111 C CZ . PHE A 1 13 ? 3.320 6.950 -3.817 1.00 91.12 13 A 1 ATOM 112 N N . LEU A 1 14 ? 3.394 1.709 -1.039 1.00 97.72 14 A 1 ATOM 113 C CA . LEU A 1 14 ? 4.723 1.131 -1.200 1.00 97.65 14 A 1 ATOM 114 C C . LEU A 1 14 ? 4.679 -0.054 -2.153 1.00 97.97 14 A 1 ATOM 115 O O . LEU A 1 14 ? 5.578 -0.239 -2.976 1.00 97.63 14 A 1 ATOM 116 C CB . LEU A 1 14 ? 5.267 0.687 0.160 1.00 97.16 14 A 1 ATOM 117 C CG . LEU A 1 14 ? 6.689 0.129 0.116 1.00 93.22 14 A 1 ATOM 118 C CD1 . LEU A 1 14 ? 7.671 1.195 -0.339 1.00 89.37 14 A 1 ATOM 119 C CD2 . LEU A 1 14 ? 7.084 -0.410 1.483 1.00 90.54 14 A 1 ATOM 120 N N . GLY A 1 15 ? 3.630 -0.859 -2.038 1.00 97.34 15 A 1 ATOM 121 C CA . GLY A 1 15 ? 3.457 -2.004 -2.921 1.00 97.43 15 A 1 ATOM 122 C C . GLY A 1 15 ? 3.328 -1.575 -4.368 1.00 97.75 15 A 1 ATOM 123 O O . GLY A 1 15 ? 3.931 -2.174 -5.263 1.00 97.17 15 A 1 ATOM 124 N N . LEU A 1 16 ? 2.556 -0.527 -4.601 1.00 97.79 16 A 1 ATOM 125 C CA . LEU A 1 16 ? 2.365 -0.001 -5.948 1.00 97.82 16 A 1 ATOM 126 C C . LEU A 1 16 ? 3.678 0.521 -6.511 1.00 97.94 16 A 1 ATOM 127 O O . LEU A 1 16 ? 3.984 0.325 -7.690 1.00 97.33 16 A 1 ATOM 128 C CB . LEU A 1 16 ? 1.325 1.121 -5.929 1.00 97.45 16 A 1 ATOM 129 C CG . LEU A 1 16 ? -0.076 0.676 -5.521 1.00 93.52 16 A 1 ATOM 130 C CD1 . LEU A 1 16 ? -1.002 1.877 -5.415 1.00 89.42 16 A 1 ATOM 131 C CD2 . LEU A 1 16 ? -0.627 -0.338 -6.511 1.00 89.58 16 A 1 ATOM 132 N N . VAL A 1 17 ? 4.457 1.172 -5.667 1.00 97.93 17 A 1 ATOM 133 C CA . VAL A 1 17 ? 5.758 1.693 -6.075 1.00 97.64 17 A 1 ATOM 134 C C . VAL A 1 17 ? 6.675 0.551 -6.487 1.00 97.70 17 A 1 ATOM 135 O O . VAL A 1 17 ? 7.399 0.642 -7.482 1.00 96.99 17 A 1 ATOM 136 C CB . VAL A 1 17 ? 6.408 2.505 -4.945 1.00 96.81 17 A 1 ATOM 137 C CG1 . VAL A 1 17 ? 7.818 2.933 -5.333 1.00 93.57 17 A 1 ATOM 138 C CG2 . VAL A 1 17 ? 5.564 3.721 -4.617 1.00 93.82 17 A 1 ATOM 139 N N . SER A 1 18 ? 6.632 -0.536 -5.728 1.00 97.52 18 A 1 ATOM 140 C CA . SER A 1 18 ? 7.447 -1.706 -6.026 1.00 97.54 18 A 1 ATOM 141 C C . SER A 1 18 ? 7.123 -2.251 -7.413 1.00 97.53 18 A 1 ATOM 142 O O . SER A 1 18 ? 8.017 -2.631 -8.168 1.00 96.42 18 A 1 ATOM 143 C CB . SER A 1 18 ? 7.223 -2.794 -4.979 1.00 96.78 18 A 1 ATOM 144 O OG . SER A 1 18 ? 8.046 -3.907 -5.236 1.00 89.26 18 A 1 ATOM 145 N N . LEU A 1 19 ? 5.846 -2.279 -7.749 1.00 97.54 19 A 1 ATOM 146 C CA . LEU A 1 19 ? 5.410 -2.747 -9.059 1.00 97.25 19 A 1 ATOM 147 C C . LEU A 1 19 ? 5.918 -1.827 -10.158 1.00 97.24 19 A 1 ATOM 148 O O . LEU A 1 19 ? 6.289 -2.284 -11.242 1.00 96.12 19 A 1 ATOM 149 C CB . LEU A 1 19 ? 3.884 -2.825 -9.108 1.00 96.63 19 A 1 ATOM 150 C CG . LEU A 1 19 ? 3.270 -3.846 -8.157 1.00 92.03 19 A 1 ATOM 151 C CD1 . LEU A 1 19 ? 1.751 -3.746 -8.189 1.00 86.05 19 A 1 ATOM 152 C CD2 . LEU A 1 19 ? 3.717 -5.252 -8.522 1.00 85.87 19 A 1 ATOM 153 N N . SER A 1 20 ? 5.939 -0.539 -9.871 1.00 95.62 20 A 1 ATOM 154 C CA . SER A 1 20 ? 6.420 0.451 -10.826 1.00 95.24 20 A 1 ATOM 155 C C . SER A 1 20 ? 7.903 0.260 -11.114 1.00 94.75 20 A 1 ATOM 156 O O . SER A 1 20 ? 8.359 0.439 -12.243 1.00 91.55 20 A 1 ATOM 157 C CB . SER A 1 20 ? 6.182 1.862 -10.298 1.00 93.65 20 A 1 ATOM 158 O OG . SER A 1 20 ? 6.615 2.816 -11.238 1.00 84.16 20 A 1 ATOM 159 N N . VAL A 1 21 ? 8.651 -0.111 -10.080 1.00 94.59 21 A 1 ATOM 160 C CA . VAL A 1 21 ? 10.086 -0.339 -10.217 1.00 93.12 21 A 1 ATOM 161 C C . VAL A 1 21 ? 10.364 -1.588 -11.032 1.00 92.31 21 A 1 ATOM 162 O O . VAL A 1 21 ? 11.309 -1.639 -11.827 1.00 88.24 21 A 1 ATOM 163 C CB . VAL A 1 21 ? 10.763 -0.460 -8.844 1.00 90.47 21 A 1 ATOM 164 C CG1 . VAL A 1 21 ? 12.245 -0.781 -9.002 1.00 81.89 21 A 1 ATOM 165 C CG2 . VAL A 1 21 ? 10.581 0.817 -8.050 1.00 81.39 21 A 1 ATOM 166 N N . CYS A 1 22 ? 9.525 -2.595 -10.838 1.00 88.38 22 A 1 ATOM 167 C CA . CYS A 1 22 ? 9.679 -3.867 -11.537 1.00 84.74 22 A 1 ATOM 168 C C . CYS A 1 22 ? 9.462 -3.690 -13.039 1.00 81.03 22 A 1 ATOM 169 O O . CYS A 1 22 ? 10.248 -4.244 -13.822 1.00 73.86 22 A 1 ATOM 170 C CB . CYS A 1 22 ? 8.699 -4.902 -10.980 1.00 75.72 22 A 1 ATOM 171 S SG . CYS A 1 22 ? 8.919 -6.532 -11.712 1.00 67.57 22 A 1 ATOM 172 O OXT . CYS A 1 22 ? 8.499 -2.980 -13.413 1.00 65.28 22 A 1 #