# 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_spkb35556 # _entry.id spkb35556 # 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 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "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" "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 ASN 2 1 n SER 3 1 n LYS 4 1 n VAL 5 1 n PHE 6 1 n VAL 7 1 n VAL 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n ALA 13 1 n LEU 14 1 n SER 15 1 n THR 16 1 n CYS 17 1 n VAL 18 1 n LEU 19 1 n SER 20 # _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 @ 2025-07-13 01:09:55)" _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 91.19 _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 79.82 1 1 A ASN 2 2 86.71 1 2 A SER 3 2 91.23 1 3 A LYS 4 2 87.23 1 4 A VAL 5 2 91.59 1 5 A PHE 6 2 90.83 1 6 A VAL 7 2 93.06 1 7 A VAL 8 2 94.76 1 8 A LEU 9 2 91.19 1 9 A LEU 10 2 93.15 1 10 A LEU 11 2 92.63 1 11 A LEU 12 2 93.09 1 12 A ALA 13 2 97.35 1 13 A LEU 14 2 93.58 1 14 A SER 15 2 94.58 1 15 A THR 16 2 94.77 1 16 A CYS 17 2 94.21 1 17 A VAL 18 2 94.04 1 18 A LEU 19 2 90.89 1 19 A SER 20 2 84.43 1 20 # _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 ASN . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n SER . 20 A 20 # _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 ? -13.157 5.309 5.054 1.00 86.01 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.075 4.804 4.191 1.00 88.20 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.632 4.125 2.958 1.00 88.66 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.634 3.416 3.040 1.00 85.29 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.207 3.801 4.942 1.00 82.02 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.975 4.441 5.548 1.00 75.66 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.964 3.237 6.408 1.00 69.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.524 4.229 6.761 1.00 63.14 1 A 1 ATOM 9 N N . ASN A 1 2 ? -12.002 4.346 1.842 1.00 90.95 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -12.422 3.743 0.589 1.00 92.69 2 A 1 ATOM 11 C C . ASN A 1 2 ? -11.535 2.546 0.251 1.00 92.34 2 A 1 ATOM 12 O O . ASN A 1 2 ? -10.414 2.434 0.746 1.00 90.09 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -12.357 4.780 -0.532 1.00 88.94 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -13.654 4.870 -1.302 1.00 82.62 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -14.713 4.982 -0.720 1.00 78.19 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -13.568 4.823 -2.614 1.00 77.84 2 A 1 ATOM 17 N N . SER A 1 3 ? -12.039 1.677 -0.612 1.00 93.47 3 A 1 ATOM 18 C CA . SER A 1 3 ? -11.286 0.495 -1.031 1.00 94.54 3 A 1 ATOM 19 C C . SER A 1 3 ? -9.992 0.890 -1.738 1.00 95.37 3 A 1 ATOM 20 O O . SER A 1 3 ? -8.978 0.203 -1.622 1.00 93.20 3 A 1 ATOM 21 C CB . SER A 1 3 ? -12.134 -0.362 -1.961 1.00 91.79 3 A 1 ATOM 22 O OG . SER A 1 3 ? -13.234 -0.913 -1.269 1.00 79.02 3 A 1 ATOM 23 N N . LYS A 1 4 ? -10.043 1.999 -2.446 1.00 92.98 4 A 1 ATOM 24 C CA . LYS A 1 4 ? -8.864 2.502 -3.152 1.00 94.45 4 A 1 ATOM 25 C C . LYS A 1 4 ? -7.718 2.781 -2.187 1.00 95.13 4 A 1 ATOM 26 O O . LYS A 1 4 ? -6.569 2.449 -2.467 1.00 93.96 4 A 1 ATOM 27 C CB . LYS A 1 4 ? -9.219 3.776 -3.920 1.00 93.94 4 A 1 ATOM 28 C CG . LYS A 1 4 ? -9.505 3.503 -5.384 1.00 87.30 4 A 1 ATOM 29 C CD . LYS A 1 4 ? -9.707 4.791 -6.157 1.00 82.92 4 A 1 ATOM 30 C CE . LYS A 1 4 ? -9.824 4.519 -7.649 1.00 76.67 4 A 1 ATOM 31 N NZ . LYS A 1 4 ? -9.984 5.778 -8.413 1.00 67.75 4 A 1 ATOM 32 N N . VAL A 1 5 ? -8.043 3.374 -1.072 1.00 92.94 5 A 1 ATOM 33 C CA . VAL A 1 5 ? -7.037 3.693 -0.061 1.00 93.50 5 A 1 ATOM 34 C C . VAL A 1 5 ? -6.393 2.416 0.467 1.00 94.39 5 A 1 ATOM 35 O O . VAL A 1 5 ? -5.181 2.355 0.667 1.00 93.42 5 A 1 ATOM 36 C CB . VAL A 1 5 ? -7.656 4.489 1.093 1.00 92.22 5 A 1 ATOM 37 C CG1 . VAL A 1 5 ? -6.610 4.808 2.151 1.00 86.98 5 A 1 ATOM 38 C CG2 . VAL A 1 5 ? -8.281 5.777 0.575 1.00 87.68 5 A 1 ATOM 39 N N . PHE A 1 6 ? -7.214 1.409 0.681 1.00 91.81 6 A 1 ATOM 40 C CA . PHE A 1 6 ? -6.729 0.126 1.174 1.00 92.20 6 A 1 ATOM 41 C C . PHE A 1 6 ? -5.802 -0.536 0.161 1.00 93.55 6 A 1 ATOM 42 O O . PHE A 1 6 ? -4.756 -1.070 0.525 1.00 92.86 6 A 1 ATOM 43 C CB . PHE A 1 6 ? -7.916 -0.784 1.478 1.00 91.96 6 A 1 ATOM 44 C CG . PHE A 1 6 ? -7.512 -2.050 2.186 1.00 92.09 6 A 1 ATOM 45 C CD1 . PHE A 1 6 ? -7.196 -2.029 3.536 1.00 88.89 6 A 1 ATOM 46 C CD2 . PHE A 1 6 ? -7.451 -3.249 1.492 1.00 89.67 6 A 1 ATOM 47 C CE1 . PHE A 1 6 ? -6.823 -3.191 4.193 1.00 87.95 6 A 1 ATOM 48 C CE2 . PHE A 1 6 ? -7.073 -4.418 2.143 1.00 89.13 6 A 1 ATOM 49 C CZ . PHE A 1 6 ? -6.759 -4.387 3.493 1.00 88.98 6 A 1 ATOM 50 N N . VAL A 1 7 ? -6.190 -0.491 -1.102 1.00 94.36 7 A 1 ATOM 51 C CA . VAL A 1 7 ? -5.387 -1.078 -2.174 1.00 94.75 7 A 1 ATOM 52 C C . VAL A 1 7 ? -4.037 -0.384 -2.276 1.00 95.50 7 A 1 ATOM 53 O O . VAL A 1 7 ? -3.000 -1.036 -2.426 1.00 94.90 7 A 1 ATOM 54 C CB . VAL A 1 7 ? -6.128 -1.003 -3.521 1.00 94.09 7 A 1 ATOM 55 C CG1 . VAL A 1 7 ? -5.238 -1.474 -4.664 1.00 88.87 7 A 1 ATOM 56 C CG2 . VAL A 1 7 ? -7.392 -1.851 -3.478 1.00 88.95 7 A 1 ATOM 57 N N . VAL A 1 8 ? -4.057 0.922 -2.186 1.00 95.84 8 A 1 ATOM 58 C CA . VAL A 1 8 ? -2.822 1.707 -2.248 1.00 95.99 8 A 1 ATOM 59 C C . VAL A 1 8 ? -1.916 1.364 -1.074 1.00 96.36 8 A 1 ATOM 60 O O . VAL A 1 8 ? -0.703 1.223 -1.233 1.00 95.85 8 A 1 ATOM 61 C CB . VAL A 1 8 ? -3.134 3.212 -2.264 1.00 95.59 8 A 1 ATOM 62 C CG1 . VAL A 1 8 ? -1.857 4.039 -2.144 1.00 91.94 8 A 1 ATOM 63 C CG2 . VAL A 1 8 ? -3.859 3.584 -3.551 1.00 91.73 8 A 1 ATOM 64 N N . LEU A 1 9 ? -2.507 1.238 0.082 1.00 94.90 9 A 1 ATOM 65 C CA . LEU A 1 9 ? -1.761 0.889 1.287 1.00 94.25 9 A 1 ATOM 66 C C . LEU A 1 9 ? -1.132 -0.493 1.155 1.00 95.00 9 A 1 ATOM 67 O O . LEU A 1 9 ? 0.024 -0.700 1.532 1.00 95.41 9 A 1 ATOM 68 C CB . LEU A 1 9 ? -2.697 0.927 2.493 1.00 94.02 9 A 1 ATOM 69 C CG . LEU A 1 9 ? -2.043 1.492 3.753 1.00 86.16 9 A 1 ATOM 70 C CD1 . LEU A 1 9 ? -1.951 3.009 3.673 1.00 83.78 9 A 1 ATOM 71 C CD2 . LEU A 1 9 ? -2.824 1.081 4.987 1.00 85.98 9 A 1 ATOM 72 N N . LEU A 1 10 ? -1.895 -1.421 0.620 1.00 95.15 10 A 1 ATOM 73 C CA . LEU A 1 10 ? -1.419 -2.787 0.413 1.00 95.39 10 A 1 ATOM 74 C C . LEU A 1 10 ? -0.261 -2.811 -0.574 1.00 96.07 10 A 1 ATOM 75 O O . LEU A 1 10 ? 0.744 -3.494 -0.351 1.00 96.12 10 A 1 ATOM 76 C CB . LEU A 1 10 ? -2.573 -3.654 -0.099 1.00 95.32 10 A 1 ATOM 77 C CG . LEU A 1 10 ? -2.303 -5.158 -0.021 1.00 90.79 10 A 1 ATOM 78 C CD1 . LEU A 1 10 ? -2.461 -5.649 1.415 1.00 87.66 10 A 1 ATOM 79 C CD2 . LEU A 1 10 ? -3.250 -5.916 -0.930 1.00 88.72 10 A 1 ATOM 80 N N . LEU A 1 11 ? -0.404 -2.068 -1.646 1.00 96.20 11 A 1 ATOM 81 C CA . LEU A 1 11 ? 0.632 -1.981 -2.669 1.00 96.02 11 A 1 ATOM 82 C C . LEU A 1 11 ? 1.897 -1.357 -2.100 1.00 96.52 11 A 1 ATOM 83 O O . LEU A 1 11 ? 3.009 -1.803 -2.394 1.00 96.41 11 A 1 ATOM 84 C CB . LEU A 1 11 ? 0.113 -1.155 -3.847 1.00 95.70 11 A 1 ATOM 85 C CG . LEU A 1 11 ? 0.885 -1.388 -5.145 1.00 88.13 11 A 1 ATOM 86 C CD1 . LEU A 1 11 ? 0.478 -2.714 -5.774 1.00 84.74 11 A 1 ATOM 87 C CD2 . LEU A 1 11 ? 0.639 -0.256 -6.123 1.00 87.29 11 A 1 ATOM 88 N N . LEU A 1 12 ? 1.729 -0.340 -1.295 1.00 96.58 12 A 1 ATOM 89 C CA . LEU A 1 12 ? 2.851 0.340 -0.656 1.00 96.25 12 A 1 ATOM 90 C C . LEU A 1 12 ? 3.593 -0.611 0.273 1.00 96.86 12 A 1 ATOM 91 O O . LEU A 1 12 ? 4.826 -0.650 0.279 1.00 96.67 12 A 1 ATOM 92 C CB . LEU A 1 12 ? 2.336 1.552 0.122 1.00 95.79 12 A 1 ATOM 93 C CG . LEU A 1 12 ? 3.422 2.573 0.460 1.00 89.62 12 A 1 ATOM 94 C CD1 . LEU A 1 12 ? 3.770 3.408 -0.766 1.00 85.17 12 A 1 ATOM 95 C CD2 . LEU A 1 12 ? 2.965 3.476 1.588 1.00 87.75 12 A 1 ATOM 96 N N . ALA A 1 13 ? 2.843 -1.365 1.042 1.00 97.36 13 A 1 ATOM 97 C CA . ALA A 1 13 ? 3.424 -2.335 1.965 1.00 97.49 13 A 1 ATOM 98 C C . ALA A 1 13 ? 4.203 -3.406 1.206 1.00 97.80 13 A 1 ATOM 99 O O . ALA A 1 13 ? 5.303 -3.784 1.608 1.00 97.09 13 A 1 ATOM 100 C CB . ALA A 1 13 ? 2.323 -2.973 2.801 1.00 96.99 13 A 1 ATOM 101 N N . LEU A 1 14 ? 3.637 -3.873 0.114 1.00 96.92 14 A 1 ATOM 102 C CA . LEU A 1 14 ? 4.288 -4.882 -0.716 1.00 96.84 14 A 1 ATOM 103 C C . LEU A 1 14 ? 5.558 -4.329 -1.340 1.00 97.19 14 A 1 ATOM 104 O O . LEU A 1 14 ? 6.590 -5.005 -1.365 1.00 96.46 14 A 1 ATOM 105 C CB . LEU A 1 14 ? 3.321 -5.354 -1.802 1.00 96.20 14 A 1 ATOM 106 C CG . LEU A 1 14 ? 3.761 -6.629 -2.515 1.00 91.94 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? 3.489 -7.844 -1.641 1.00 85.88 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? 3.043 -6.772 -3.844 1.00 87.19 14 A 1 ATOM 109 N N . SER A 1 15 ? 5.488 -3.114 -1.821 1.00 96.77 15 A 1 ATOM 110 C CA . SER A 1 15 ? 6.625 -2.454 -2.449 1.00 96.85 15 A 1 ATOM 111 C C . SER A 1 15 ? 7.773 -2.288 -1.464 1.00 97.10 15 A 1 ATOM 112 O O . SER A 1 15 ? 8.926 -2.569 -1.792 1.00 95.65 15 A 1 ATOM 113 C CB . SER A 1 15 ? 6.198 -1.097 -2.996 1.00 95.49 15 A 1 ATOM 114 O OG . SER A 1 15 ? 7.240 -0.523 -3.742 1.00 85.65 15 A 1 ATOM 115 N N . THR A 1 16 ? 7.466 -1.843 -0.272 1.00 97.62 16 A 1 ATOM 116 C CA . THR A 1 16 ? 8.490 -1.638 0.746 1.00 97.46 16 A 1 ATOM 117 C C . THR A 1 16 ? 9.077 -2.968 1.212 1.00 97.28 16 A 1 ATOM 118 O O . THR A 1 16 ? 10.266 -3.053 1.518 1.00 95.43 16 A 1 ATOM 119 C CB . THR A 1 16 ? 7.928 -0.828 1.927 1.00 96.58 16 A 1 ATOM 120 O OG1 . THR A 1 16 ? 9.026 -0.295 2.679 1.00 89.51 16 A 1 ATOM 121 C CG2 . THR A 1 16 ? 7.059 -1.649 2.855 1.00 89.49 16 A 1 ATOM 122 N N . CYS A 1 17 ? 8.254 -4.007 1.246 1.00 97.43 17 A 1 ATOM 123 C CA . CYS A 1 17 ? 8.707 -5.339 1.640 1.00 96.95 17 A 1 ATOM 124 C C . CYS A 1 17 ? 9.673 -5.916 0.608 1.00 97.01 17 A 1 ATOM 125 O O . CYS A 1 17 ? 10.680 -6.521 0.965 1.00 94.87 17 A 1 ATOM 126 C CB . CYS A 1 17 ? 7.510 -6.272 1.815 1.00 95.16 17 A 1 ATOM 127 S SG . CYS A 1 17 ? 6.726 -6.092 3.429 1.00 83.86 17 A 1 ATOM 128 N N . VAL A 1 18 ? 9.353 -5.726 -0.660 1.00 96.59 18 A 1 ATOM 129 C CA . VAL A 1 18 ? 10.197 -6.219 -1.748 1.00 96.30 18 A 1 ATOM 130 C C . VAL A 1 18 ? 11.492 -5.424 -1.829 1.00 96.38 18 A 1 ATOM 131 O O . VAL A 1 18 ? 12.553 -5.978 -2.128 1.00 95.23 18 A 1 ATOM 132 C CB . VAL A 1 18 ? 9.450 -6.155 -3.086 1.00 95.01 18 A 1 ATOM 133 C CG1 . VAL A 1 18 ? 10.371 -6.518 -4.242 1.00 89.60 18 A 1 ATOM 134 C CG2 . VAL A 1 18 ? 8.250 -7.084 -3.074 1.00 89.15 18 A 1 ATOM 135 N N . LEU A 1 19 ? 11.392 -4.143 -1.566 1.00 96.68 19 A 1 ATOM 136 C CA . LEU A 1 19 ? 12.552 -3.261 -1.610 1.00 96.06 19 A 1 ATOM 137 C C . LEU A 1 19 ? 13.504 -3.531 -0.451 1.00 95.65 19 A 1 ATOM 138 O O . LEU A 1 19 ? 14.711 -3.310 -0.567 1.00 94.15 19 A 1 ATOM 139 C CB . LEU A 1 19 ? 12.087 -1.804 -1.584 1.00 94.85 19 A 1 ATOM 140 C CG . LEU A 1 19 ? 13.049 -0.830 -2.255 1.00 87.89 19 A 1 ATOM 141 C CD1 . LEU A 1 19 ? 13.012 -0.993 -3.770 1.00 81.32 19 A 1 ATOM 142 C CD2 . LEU A 1 19 ? 12.699 0.596 -1.879 1.00 80.51 19 A 1 ATOM 143 N N . SER A 1 20 ? 12.962 -3.989 0.636 1.00 93.35 20 A 1 ATOM 144 C CA . SER A 1 20 ? 13.742 -4.280 1.835 1.00 90.91 20 A 1 ATOM 145 C C . SER A 1 20 ? 14.414 -5.650 1.733 1.00 86.61 20 A 1 ATOM 146 O O . SER A 1 20 ? 15.655 -5.717 1.744 1.00 80.12 20 A 1 ATOM 147 C CB . SER A 1 20 ? 12.851 -4.213 3.078 1.00 86.60 20 A 1 ATOM 148 O OG . SER A 1 20 ? 13.633 -4.299 4.245 1.00 76.19 20 A 1 ATOM 149 O OXT . SER A 1 20 ? 13.690 -6.630 1.661 1.00 77.24 20 A 1 #