# 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_spkb20222 # _entry.id spkb20222 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[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" "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 HIS 2 1 n ARG 3 1 n LEU 4 1 n ILE 5 1 n PHE 6 1 n VAL 7 1 n CYS 8 1 n THR 9 1 n LEU 10 1 n VAL 11 1 n CYS 12 1 n ALA 13 1 n ASN 14 1 n PHE 15 1 n CYS 16 1 n SER 17 1 n CYS 18 # _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 14:31:53)" _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 84.79 _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 72.60 1 1 A HIS 2 2 75.01 1 2 A ARG 3 2 78.39 1 3 A LEU 4 2 84.96 1 4 A ILE 5 2 86.63 1 5 A PHE 6 2 83.96 1 6 A VAL 7 2 89.41 1 7 A CYS 8 2 89.52 1 8 A THR 9 2 89.94 1 9 A LEU 10 2 90.42 1 10 A VAL 11 2 92.11 1 11 A CYS 12 2 90.26 1 12 A ALA 13 2 94.25 1 13 A ASN 14 2 89.05 1 14 A PHE 15 2 87.79 1 15 A CYS 16 2 86.65 1 16 A SER 17 2 80.78 1 17 A CYS 18 2 74.92 1 18 # _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 HIS . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ASN . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n CYS . 18 A 18 # _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 ? -10.247 0.465 11.120 1.00 78.35 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.440 -0.334 10.176 1.00 79.75 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.036 0.243 10.029 1.00 80.45 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.889 1.438 9.788 1.00 78.20 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.127 -0.372 8.813 1.00 74.73 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.110 -1.733 8.157 1.00 69.49 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.354 -1.871 6.874 1.00 63.94 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.180 -3.582 6.411 1.00 55.89 1 A 1 ATOM 9 N N . HIS A 1 2 ? -7.022 -0.593 10.184 1.00 83.46 2 A 1 ATOM 10 C CA . HIS A 1 2 ? -5.635 -0.137 10.136 1.00 84.62 2 A 1 ATOM 11 C C . HIS A 1 2 ? -4.875 -0.728 8.945 1.00 85.79 2 A 1 ATOM 12 O O . HIS A 1 2 ? -3.789 -0.265 8.602 1.00 81.81 2 A 1 ATOM 13 C CB . HIS A 1 2 ? -4.927 -0.502 11.443 1.00 80.80 2 A 1 ATOM 14 C CG . HIS A 1 2 ? -4.087 0.616 11.982 1.00 72.62 2 A 1 ATOM 15 N ND1 . HIS A 1 2 ? -2.727 0.544 12.129 1.00 64.94 2 A 1 ATOM 16 C CD2 . HIS A 1 2 ? -4.449 1.843 12.423 1.00 65.76 2 A 1 ATOM 17 C CE1 . HIS A 1 2 ? -2.294 1.689 12.636 1.00 64.44 2 A 1 ATOM 18 N NE2 . HIS A 1 2 ? -3.318 2.496 12.826 1.00 65.86 2 A 1 ATOM 19 N N . ARG A 1 3 ? -5.466 -1.755 8.337 1.00 85.33 3 A 1 ATOM 20 C CA . ARG A 1 3 ? -4.826 -2.431 7.207 1.00 88.26 3 A 1 ATOM 21 C C . ARG A 1 3 ? -4.852 -1.577 5.944 1.00 89.43 3 A 1 ATOM 22 O O . ARG A 1 3 ? -3.910 -1.605 5.154 1.00 85.78 3 A 1 ATOM 23 C CB . ARG A 1 3 ? -5.500 -3.778 6.952 1.00 86.25 3 A 1 ATOM 24 C CG . ARG A 1 3 ? -4.712 -4.959 7.497 1.00 79.58 3 A 1 ATOM 25 C CD . ARG A 1 3 ? -4.725 -4.982 9.016 1.00 78.03 3 A 1 ATOM 26 N NE . ARG A 1 3 ? -3.545 -5.652 9.561 1.00 73.24 3 A 1 ATOM 27 C CZ . ARG A 1 3 ? -3.275 -5.750 10.850 1.00 69.03 3 A 1 ATOM 28 N NH1 . ARG A 1 3 ? -4.102 -5.243 11.743 1.00 64.59 3 A 1 ATOM 29 N NH2 . ARG A 1 3 ? -2.171 -6.356 11.249 1.00 62.75 3 A 1 ATOM 30 N N . LEU A 1 4 ? -5.932 -0.835 5.759 1.00 86.90 4 A 1 ATOM 31 C CA . LEU A 1 4 ? -6.068 0.023 4.589 1.00 88.57 4 A 1 ATOM 32 C C . LEU A 1 4 ? -5.021 1.133 4.596 1.00 90.13 4 A 1 ATOM 33 O O . LEU A 1 4 ? -4.491 1.507 3.550 1.00 89.01 4 A 1 ATOM 34 C CB . LEU A 1 4 ? -7.477 0.619 4.531 1.00 88.20 4 A 1 ATOM 35 C CG . LEU A 1 4 ? -7.931 1.019 3.129 1.00 82.06 4 A 1 ATOM 36 C CD1 . LEU A 1 4 ? -8.191 -0.214 2.274 1.00 77.28 4 A 1 ATOM 37 C CD2 . LEU A 1 4 ? -9.175 1.885 3.203 1.00 77.56 4 A 1 ATOM 38 N N . ILE A 1 5 ? -4.726 1.635 5.769 1.00 88.73 5 A 1 ATOM 39 C CA . ILE A 1 5 ? -3.719 2.679 5.933 1.00 89.43 5 A 1 ATOM 40 C C . ILE A 1 5 ? -2.341 2.137 5.576 1.00 89.74 5 A 1 ATOM 41 O O . ILE A 1 5 ? -1.513 2.835 4.984 1.00 88.29 5 A 1 ATOM 42 C CB . ILE A 1 5 ? -3.717 3.224 7.372 1.00 89.75 5 A 1 ATOM 43 C CG1 . ILE A 1 5 ? -5.126 3.640 7.804 1.00 84.80 5 A 1 ATOM 44 C CG2 . ILE A 1 5 ? -2.759 4.416 7.477 1.00 83.22 5 A 1 ATOM 45 C CD1 . ILE A 1 5 ? -5.319 3.644 9.296 1.00 79.06 5 A 1 ATOM 46 N N . PHE A 1 6 ? -2.119 0.885 5.927 1.00 87.21 6 A 1 ATOM 47 C CA . PHE A 1 6 ? -0.857 0.221 5.626 1.00 87.52 6 A 1 ATOM 48 C C . PHE A 1 6 ? -0.636 0.122 4.121 1.00 89.17 6 A 1 ATOM 49 O O . PHE A 1 6 ? 0.464 0.384 3.626 1.00 87.58 6 A 1 ATOM 50 C CB . PHE A 1 6 ? -0.850 -1.170 6.253 1.00 87.30 6 A 1 ATOM 51 C CG . PHE A 1 6 ? 0.491 -1.851 6.165 1.00 84.56 6 A 1 ATOM 52 C CD1 . PHE A 1 6 ? 0.787 -2.700 5.108 1.00 81.15 6 A 1 ATOM 53 C CD2 . PHE A 1 6 ? 1.448 -1.637 7.145 1.00 80.80 6 A 1 ATOM 54 C CE1 . PHE A 1 6 ? 2.023 -3.317 5.026 1.00 79.30 6 A 1 ATOM 55 C CE2 . PHE A 1 6 ? 2.685 -2.258 7.063 1.00 79.12 6 A 1 ATOM 56 C CZ . PHE A 1 6 ? 2.971 -3.097 6.003 1.00 79.82 6 A 1 ATOM 57 N N . VAL A 1 7 ? -1.696 -0.238 3.406 1.00 91.29 7 A 1 ATOM 58 C CA . VAL A 1 7 ? -1.637 -0.344 1.948 1.00 91.29 7 A 1 ATOM 59 C C . VAL A 1 7 ? -1.384 1.022 1.324 1.00 92.09 7 A 1 ATOM 60 O O . VAL A 1 7 ? -0.591 1.150 0.386 1.00 90.51 7 A 1 ATOM 61 C CB . VAL A 1 7 ? -2.933 -0.948 1.378 1.00 90.56 7 A 1 ATOM 62 C CG1 . VAL A 1 7 ? -2.842 -1.106 -0.133 1.00 84.63 7 A 1 ATOM 63 C CG2 . VAL A 1 7 ? -3.221 -2.295 2.023 1.00 85.50 7 A 1 ATOM 64 N N . CYS A 1 8 ? -2.054 2.024 1.843 1.00 90.65 8 A 1 ATOM 65 C CA . CYS A 1 8 ? -1.896 3.387 1.353 1.00 91.18 8 A 1 ATOM 66 C C . CYS A 1 8 ? -0.459 3.864 1.531 1.00 91.70 8 A 1 ATOM 67 O O . CYS A 1 8 ? 0.096 4.542 0.669 1.00 89.27 8 A 1 ATOM 68 C CB . CYS A 1 8 ? -2.865 4.317 2.082 1.00 89.88 8 A 1 ATOM 69 S SG . CYS A 1 8 ? -3.349 5.738 1.084 1.00 84.45 8 A 1 ATOM 70 N N . THR A 1 9 ? 0.130 3.492 2.644 1.00 91.39 9 A 1 ATOM 71 C CA . THR A 1 9 ? 1.514 3.850 2.938 1.00 91.61 9 A 1 ATOM 72 C C . THR A 1 9 ? 2.468 3.142 1.982 1.00 92.35 9 A 1 ATOM 73 O O . THR A 1 9 ? 3.456 3.733 1.531 1.00 90.62 9 A 1 ATOM 74 C CB . THR A 1 9 ? 1.865 3.490 4.387 1.00 91.05 9 A 1 ATOM 75 O OG1 . THR A 1 9 ? 0.898 4.042 5.269 1.00 86.42 9 A 1 ATOM 76 C CG2 . THR A 1 9 ? 3.229 4.043 4.772 1.00 86.15 9 A 1 ATOM 77 N N . LEU A 1 10 ? 2.162 1.891 1.667 1.00 92.35 10 A 1 ATOM 78 C CA . LEU A 1 10 ? 2.974 1.105 0.748 1.00 92.50 10 A 1 ATOM 79 C C . LEU A 1 10 ? 2.975 1.718 -0.646 1.00 93.44 10 A 1 ATOM 80 O O . LEU A 1 10 ? 4.025 1.860 -1.274 1.00 92.34 10 A 1 ATOM 81 C CB . LEU A 1 10 ? 2.459 -0.339 0.689 1.00 92.40 10 A 1 ATOM 82 C CG . LEU A 1 10 ? 3.346 -1.389 1.364 1.00 88.02 10 A 1 ATOM 83 C CD1 . LEU A 1 10 ? 4.717 -1.428 0.734 1.00 85.79 10 A 1 ATOM 84 C CD2 . LEU A 1 10 ? 3.447 -1.135 2.854 1.00 86.48 10 A 1 ATOM 85 N N . VAL A 1 11 ? 1.795 2.078 -1.121 1.00 93.85 11 A 1 ATOM 86 C CA . VAL A 1 11 ? 1.646 2.681 -2.440 1.00 93.29 11 A 1 ATOM 87 C C . VAL A 1 11 ? 2.358 4.026 -2.499 1.00 93.62 11 A 1 ATOM 88 O O . VAL A 1 11 ? 3.056 4.329 -3.469 1.00 92.39 11 A 1 ATOM 89 C CB . VAL A 1 11 ? 0.162 2.851 -2.804 1.00 92.51 11 A 1 ATOM 90 C CG1 . VAL A 1 11 ? 0.013 3.519 -4.162 1.00 89.04 11 A 1 ATOM 91 C CG2 . VAL A 1 11 ? -0.540 1.505 -2.809 1.00 90.05 11 A 1 ATOM 92 N N . CYS A 1 12 ? 2.185 4.815 -1.466 1.00 92.16 12 A 1 ATOM 93 C CA . CYS A 1 12 ? 2.814 6.126 -1.395 1.00 91.90 12 A 1 ATOM 94 C C . CYS A 1 12 ? 4.332 5.997 -1.355 1.00 92.48 12 A 1 ATOM 95 O O . CYS A 1 12 ? 5.048 6.775 -1.982 1.00 90.58 12 A 1 ATOM 96 C CB . CYS A 1 12 ? 2.310 6.887 -0.167 1.00 90.01 12 A 1 ATOM 97 S SG . CYS A 1 12 ? 2.045 8.641 -0.485 1.00 84.43 12 A 1 ATOM 98 N N . ALA A 1 13 ? 4.810 5.003 -0.629 1.00 94.47 13 A 1 ATOM 99 C CA . ALA A 1 13 ? 6.240 4.750 -0.523 1.00 94.55 13 A 1 ATOM 100 C C . ALA A 1 13 ? 6.817 4.306 -1.863 1.00 95.35 13 A 1 ATOM 101 O O . ALA A 1 13 ? 7.914 4.717 -2.235 1.00 93.47 13 A 1 ATOM 102 C CB . ALA A 1 13 ? 6.503 3.700 0.544 1.00 93.40 13 A 1 ATOM 103 N N . ASN A 1 14 ? 6.069 3.480 -2.590 1.00 92.52 14 A 1 ATOM 104 C CA . ASN A 1 14 ? 6.485 3.009 -3.902 1.00 92.30 14 A 1 ATOM 105 C C . ASN A 1 14 ? 6.559 4.151 -4.907 1.00 92.71 14 A 1 ATOM 106 O O . ASN A 1 14 ? 7.524 4.257 -5.664 1.00 91.61 14 A 1 ATOM 107 C CB . ASN A 1 14 ? 5.523 1.930 -4.402 1.00 91.53 14 A 1 ATOM 108 C CG . ASN A 1 14 ? 6.023 0.539 -4.086 1.00 87.94 14 A 1 ATOM 109 O OD1 . ASN A 1 14 ? 7.072 0.117 -4.561 1.00 81.28 14 A 1 ATOM 110 N ND2 . ASN A 1 14 ? 5.281 -0.197 -3.290 1.00 82.50 14 A 1 ATOM 111 N N . PHE A 1 15 ? 5.548 5.002 -4.902 1.00 92.52 15 A 1 ATOM 112 C CA . PHE A 1 15 ? 5.494 6.138 -5.809 1.00 92.05 15 A 1 ATOM 113 C C . PHE A 1 15 ? 6.542 7.186 -5.455 1.00 92.25 15 A 1 ATOM 114 O O . PHE A 1 15 ? 7.090 7.840 -6.343 1.00 90.19 15 A 1 ATOM 115 C CB . PHE A 1 15 ? 4.100 6.756 -5.784 1.00 91.24 15 A 1 ATOM 116 C CG . PHE A 1 15 ? 3.205 6.234 -6.871 1.00 87.09 15 A 1 ATOM 117 C CD1 . PHE A 1 15 ? 2.775 4.921 -6.865 1.00 84.44 15 A 1 ATOM 118 C CD2 . PHE A 1 15 ? 2.803 7.067 -7.903 1.00 84.40 15 A 1 ATOM 119 C CE1 . PHE A 1 15 ? 1.960 4.442 -7.874 1.00 84.10 15 A 1 ATOM 120 C CE2 . PHE A 1 15 ? 1.984 6.595 -8.912 1.00 83.78 15 A 1 ATOM 121 C CZ . PHE A 1 15 ? 1.563 5.280 -8.894 1.00 83.59 15 A 1 ATOM 122 N N . CYS A 1 16 ? 6.820 7.342 -4.186 1.00 88.22 16 A 1 ATOM 123 C CA . CYS A 1 16 ? 7.815 8.299 -3.724 1.00 87.97 16 A 1 ATOM 124 C C . CYS A 1 16 ? 9.236 7.772 -3.917 1.00 89.25 16 A 1 ATOM 125 O O . CYS A 1 16 ? 10.183 8.551 -4.026 1.00 88.29 16 A 1 ATOM 126 C CB . CYS A 1 16 ? 7.576 8.646 -2.250 1.00 86.69 16 A 1 ATOM 127 S SG . CYS A 1 16 ? 6.686 10.198 -2.029 1.00 79.46 16 A 1 ATOM 128 N N . SER A 1 17 ? 9.373 6.451 -3.937 1.00 85.35 17 A 1 ATOM 129 C CA . SER A 1 17 ? 10.672 5.818 -4.112 1.00 84.00 17 A 1 ATOM 130 C C . SER A 1 17 ? 11.071 5.751 -5.581 1.00 82.63 17 A 1 ATOM 131 O O . SER A 1 17 ? 12.256 5.804 -5.912 1.00 78.56 17 A 1 ATOM 132 C CB . SER A 1 17 ? 10.676 4.420 -3.500 1.00 82.06 17 A 1 ATOM 133 O OG . SER A 1 17 ? 11.033 4.467 -2.131 1.00 72.07 17 A 1 ATOM 134 N N . CYS A 1 18 ? 10.068 5.648 -6.452 1.00 83.91 18 A 1 ATOM 135 C CA . CYS A 1 18 ? 10.298 5.574 -7.890 1.00 80.02 18 A 1 ATOM 136 C C . CYS A 1 18 ? 10.045 6.923 -8.549 1.00 76.46 18 A 1 ATOM 137 O O . CYS A 1 18 ? 10.939 7.450 -9.225 1.00 72.53 18 A 1 ATOM 138 C CB . CYS A 1 18 ? 9.416 4.489 -8.521 1.00 75.02 18 A 1 ATOM 139 S SG . CYS A 1 18 ? 10.115 2.832 -8.378 1.00 69.10 18 A 1 ATOM 140 O OXT . CYS A 1 18 ? 8.920 7.452 -8.393 1.00 67.40 18 A 1 #