# 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_spkb39861 # _entry.id spkb39861 # 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" "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" "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 LYS 2 1 n THR 3 1 n LEU 4 1 n PHE 5 1 n PHE 6 1 n PHE 7 1 n LEU 8 1 n THR 9 1 n ILE 10 1 n ALA 11 1 n VAL 12 1 n LEU 13 1 n VAL 14 1 n SER 15 1 n SER 16 1 n CYS 17 1 n THR 18 1 n SER 19 # _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 @ 2025-07-06 01:35:37)" _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 91.33 _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 88.81 1 1 A LYS 2 2 86.41 1 2 A THR 3 2 91.78 1 3 A LEU 4 2 91.80 1 4 A PHE 5 2 92.05 1 5 A PHE 6 2 93.65 1 6 A PHE 7 2 91.61 1 7 A LEU 8 2 93.23 1 8 A THR 9 2 93.85 1 9 A ILE 10 2 94.66 1 10 A ALA 11 2 96.67 1 11 A VAL 12 2 95.37 1 12 A LEU 13 2 92.65 1 13 A VAL 14 2 95.31 1 14 A SER 15 2 92.95 1 15 A SER 16 2 92.47 1 16 A CYS 17 2 90.96 1 17 A THR 18 2 87.21 1 18 A SER 19 2 74.53 1 19 # _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 LYS . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n SER . 19 A 19 # _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 ? -13.653 2.655 4.073 1.00 95.32 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.738 1.676 3.460 1.00 96.20 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.278 2.054 3.717 1.00 95.96 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.506 2.262 2.786 1.00 94.56 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.018 1.551 1.960 1.00 93.04 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.049 2.883 1.215 1.00 85.12 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.658 2.694 -0.465 1.00 79.83 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.525 4.376 -1.056 1.00 70.44 1 A 1 ATOM 9 N N . LYS A 1 2 ? -10.920 2.151 4.990 1.00 95.84 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -9.569 2.564 5.376 1.00 95.91 2 A 1 ATOM 11 C C . LYS A 1 2 ? -8.569 1.417 5.227 1.00 96.17 2 A 1 ATOM 12 O O . LYS A 1 2 ? -7.429 1.626 4.818 1.00 95.21 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -9.588 3.072 6.822 1.00 93.22 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -10.488 4.284 7.009 1.00 83.32 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -10.584 4.691 8.463 1.00 79.90 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -11.527 5.871 8.636 1.00 72.45 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -11.680 6.239 10.065 1.00 65.70 2 A 1 ATOM 18 N N . THR A 1 3 ? -9.010 0.214 5.543 1.00 95.64 3 A 1 ATOM 19 C CA . THR A 1 3 ? -8.159 -0.972 5.455 1.00 96.57 3 A 1 ATOM 20 C C . THR A 1 3 ? -7.780 -1.268 4.006 1.00 96.74 3 A 1 ATOM 21 O O . THR A 1 3 ? -6.650 -1.662 3.721 1.00 95.36 3 A 1 ATOM 22 C CB . THR A 1 3 ? -8.866 -2.191 6.054 1.00 95.44 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? -9.492 -1.833 7.278 1.00 82.12 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? -7.883 -3.314 6.308 1.00 80.59 3 A 1 ATOM 25 N N . LEU A 1 4 ? -8.720 -1.068 3.097 1.00 97.24 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -8.462 -1.290 1.673 1.00 97.09 4 A 1 ATOM 27 C C . LEU A 1 4 ? -7.376 -0.347 1.165 1.00 97.30 4 A 1 ATOM 28 O O . LEU A 1 4 ? -6.483 -0.758 0.424 1.00 96.79 4 A 1 ATOM 29 C CB . LEU A 1 4 ? -9.754 -1.080 0.876 1.00 96.71 4 A 1 ATOM 30 C CG . LEU A 1 4 ? -10.671 -2.294 0.864 1.00 87.03 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? -12.070 -1.893 0.418 1.00 80.86 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? -10.122 -3.365 -0.070 1.00 81.40 4 A 1 ATOM 33 N N . PHE A 1 5 ? -7.443 0.905 1.574 1.00 96.76 5 A 1 ATOM 34 C CA . PHE A 1 5 ? -6.448 1.898 1.185 1.00 96.68 5 A 1 ATOM 35 C C . PHE A 1 5 ? -5.075 1.521 1.734 1.00 96.96 5 A 1 ATOM 36 O O . PHE A 1 5 ? -4.064 1.654 1.045 1.00 96.39 5 A 1 ATOM 37 C CB . PHE A 1 5 ? -6.868 3.274 1.697 1.00 96.04 5 A 1 ATOM 38 C CG . PHE A 1 5 ? -6.104 4.394 1.037 1.00 92.43 5 A 1 ATOM 39 C CD1 . PHE A 1 5 ? -4.967 4.923 1.634 1.00 87.35 5 A 1 ATOM 40 C CD2 . PHE A 1 5 ? -6.526 4.893 -0.189 1.00 88.37 5 A 1 ATOM 41 C CE1 . PHE A 1 5 ? -4.255 5.946 1.017 1.00 86.36 5 A 1 ATOM 42 C CE2 . PHE A 1 5 ? -5.817 5.920 -0.810 1.00 87.88 5 A 1 ATOM 43 C CZ . PHE A 1 5 ? -4.684 6.443 -0.205 1.00 87.32 5 A 1 ATOM 44 N N . PHE A 1 6 ? -5.054 1.040 2.970 1.00 96.15 6 A 1 ATOM 45 C CA . PHE A 1 6 ? -3.818 0.601 3.612 1.00 96.12 6 A 1 ATOM 46 C C . PHE A 1 6 ? -3.200 -0.569 2.847 1.00 96.67 6 A 1 ATOM 47 O O . PHE A 1 6 ? -1.996 -0.596 2.600 1.00 96.35 6 A 1 ATOM 48 C CB . PHE A 1 6 ? -4.119 0.198 5.056 1.00 95.72 6 A 1 ATOM 49 C CG . PHE A 1 6 ? -2.874 -0.110 5.851 1.00 94.38 6 A 1 ATOM 50 C CD1 . PHE A 1 6 ? -2.570 -1.419 6.208 1.00 90.87 6 A 1 ATOM 51 C CD2 . PHE A 1 6 ? -2.021 0.915 6.224 1.00 91.89 6 A 1 ATOM 52 C CE1 . PHE A 1 6 ? -1.425 -1.704 6.938 1.00 90.45 6 A 1 ATOM 53 C CE2 . PHE A 1 6 ? -0.868 0.633 6.951 1.00 90.59 6 A 1 ATOM 54 C CZ . PHE A 1 6 ? -0.571 -0.674 7.309 1.00 90.95 6 A 1 ATOM 55 N N . PHE A 1 7 ? -4.043 -1.525 2.463 1.00 96.05 7 A 1 ATOM 56 C CA . PHE A 1 7 ? -3.589 -2.689 1.710 1.00 96.17 7 A 1 ATOM 57 C C . PHE A 1 7 ? -3.021 -2.270 0.355 1.00 96.53 7 A 1 ATOM 58 O O . PHE A 1 7 ? -1.994 -2.785 -0.085 1.00 95.91 7 A 1 ATOM 59 C CB . PHE A 1 7 ? -4.757 -3.663 1.521 1.00 95.77 7 A 1 ATOM 60 C CG . PHE A 1 7 ? -4.326 -5.107 1.626 1.00 91.69 7 A 1 ATOM 61 C CD1 . PHE A 1 7 ? -3.900 -5.805 0.503 1.00 87.15 7 A 1 ATOM 62 C CD2 . PHE A 1 7 ? -4.346 -5.746 2.860 1.00 87.91 7 A 1 ATOM 63 C CE1 . PHE A 1 7 ? -3.496 -7.131 0.604 1.00 86.63 7 A 1 ATOM 64 C CE2 . PHE A 1 7 ? -3.943 -7.075 2.965 1.00 86.77 7 A 1 ATOM 65 C CZ . PHE A 1 7 ? -3.520 -7.767 1.840 1.00 87.17 7 A 1 ATOM 66 N N . LEU A 1 8 ? -3.686 -1.331 -0.286 1.00 96.74 8 A 1 ATOM 67 C CA . LEU A 1 8 ? -3.233 -0.815 -1.577 1.00 96.73 8 A 1 ATOM 68 C C . LEU A 1 8 ? -1.876 -0.130 -1.436 1.00 97.07 8 A 1 ATOM 69 O O . LEU A 1 8 ? -0.987 -0.323 -2.266 1.00 96.73 8 A 1 ATOM 70 C CB . LEU A 1 8 ? -4.272 0.167 -2.126 1.00 96.39 8 A 1 ATOM 71 C CG . LEU A 1 8 ? -4.039 0.558 -3.587 1.00 89.77 8 A 1 ATOM 72 C CD1 . LEU A 1 8 ? -4.436 -0.579 -4.524 1.00 85.51 8 A 1 ATOM 73 C CD2 . LEU A 1 8 ? -4.831 1.809 -3.935 1.00 86.89 8 A 1 ATOM 74 N N . THR A 1 9 ? -1.716 0.640 -0.385 1.00 96.62 9 A 1 ATOM 75 C CA . THR A 1 9 ? -0.463 1.348 -0.124 1.00 96.81 9 A 1 ATOM 76 C C . THR A 1 9 ? 0.683 0.360 0.079 1.00 97.12 9 A 1 ATOM 77 O O . THR A 1 9 ? 1.784 0.565 -0.439 1.00 96.38 9 A 1 ATOM 78 C CB . THR A 1 9 ? -0.604 2.248 1.108 1.00 96.10 9 A 1 ATOM 79 O OG1 . THR A 1 9 ? -1.695 3.144 0.931 1.00 88.03 9 A 1 ATOM 80 C CG2 . THR A 1 9 ? 0.651 3.077 1.324 1.00 85.86 9 A 1 ATOM 81 N N . ILE A 1 10 ? 0.429 -0.703 0.820 1.00 97.32 10 A 1 ATOM 82 C CA . ILE A 1 10 ? 1.439 -1.737 1.056 1.00 96.99 10 A 1 ATOM 83 C C . ILE A 1 10 ? 1.846 -2.387 -0.265 1.00 97.02 10 A 1 ATOM 84 O O . ILE A 1 10 ? 3.031 -2.601 -0.521 1.00 96.33 10 A 1 ATOM 85 C CB . ILE A 1 10 ? 0.914 -2.802 2.041 1.00 96.41 10 A 1 ATOM 86 C CG1 . ILE A 1 10 ? 0.770 -2.204 3.445 1.00 93.28 10 A 1 ATOM 87 C CG2 . ILE A 1 10 ? 1.865 -4.002 2.090 1.00 92.61 10 A 1 ATOM 88 C CD1 . ILE A 1 10 ? -0.041 -3.069 4.387 1.00 87.28 10 A 1 ATOM 89 N N . ALA A 1 11 ? 0.863 -2.696 -1.094 1.00 97.33 11 A 1 ATOM 90 C CA . ALA A 1 11 ? 1.127 -3.324 -2.386 1.00 96.99 11 A 1 ATOM 91 C C . ALA A 1 11 ? 2.024 -2.442 -3.253 1.00 97.06 11 A 1 ATOM 92 O O . ALA A 1 11 ? 2.971 -2.927 -3.873 1.00 95.77 11 A 1 ATOM 93 C CB . ALA A 1 11 ? -0.195 -3.607 -3.098 1.00 96.20 11 A 1 ATOM 94 N N . VAL A 1 12 ? 1.741 -1.158 -3.279 1.00 97.41 12 A 1 ATOM 95 C CA . VAL A 1 12 ? 2.539 -0.203 -4.052 1.00 97.01 12 A 1 ATOM 96 C C . VAL A 1 12 ? 3.950 -0.103 -3.484 1.00 97.05 12 A 1 ATOM 97 O O . VAL A 1 12 ? 4.932 -0.086 -4.233 1.00 95.95 12 A 1 ATOM 98 C CB . VAL A 1 12 ? 1.865 1.180 -4.075 1.00 96.26 12 A 1 ATOM 99 C CG1 . VAL A 1 12 ? 2.752 2.214 -4.763 1.00 91.75 12 A 1 ATOM 100 C CG2 . VAL A 1 12 ? 0.527 1.109 -4.798 1.00 92.13 12 A 1 ATOM 101 N N . LEU A 1 13 ? 4.049 -0.059 -2.171 1.00 96.97 13 A 1 ATOM 102 C CA . LEU A 1 13 ? 5.341 0.033 -1.493 1.00 96.76 13 A 1 ATOM 103 C C . LEU A 1 13 ? 6.208 -1.183 -1.805 1.00 96.89 13 A 1 ATOM 104 O O . LEU A 1 13 ? 7.382 -1.047 -2.153 1.00 95.93 13 A 1 ATOM 105 C CB . LEU A 1 13 ? 5.122 0.151 0.017 1.00 96.08 13 A 1 ATOM 106 C CG . LEU A 1 13 ? 6.375 0.581 0.785 1.00 89.68 13 A 1 ATOM 107 C CD1 . LEU A 1 13 ? 6.560 2.094 0.709 1.00 83.81 13 A 1 ATOM 108 C CD2 . LEU A 1 13 ? 6.282 0.152 2.241 1.00 85.04 13 A 1 ATOM 109 N N . VAL A 1 14 ? 5.632 -2.364 -1.690 1.00 97.82 14 A 1 ATOM 110 C CA . VAL A 1 14 ? 6.348 -3.611 -1.967 1.00 97.32 14 A 1 ATOM 111 C C . VAL A 1 14 ? 6.784 -3.663 -3.428 1.00 97.09 14 A 1 ATOM 112 O O . VAL A 1 14 ? 7.919 -4.039 -3.731 1.00 95.58 14 A 1 ATOM 113 C CB . VAL A 1 14 ? 5.477 -4.830 -1.617 1.00 96.34 14 A 1 ATOM 114 C CG1 . VAL A 1 14 ? 6.151 -6.126 -2.044 1.00 91.07 14 A 1 ATOM 115 C CG2 . VAL A 1 14 ? 5.198 -4.872 -0.123 1.00 91.96 14 A 1 ATOM 116 N N . SER A 1 15 ? 5.892 -3.274 -4.316 1.00 96.94 15 A 1 ATOM 117 C CA . SER A 1 15 ? 6.188 -3.256 -5.748 1.00 96.47 15 A 1 ATOM 118 C C . SER A 1 15 ? 7.358 -2.323 -6.060 1.00 96.25 15 A 1 ATOM 119 O O . SER A 1 15 ? 8.224 -2.652 -6.872 1.00 93.34 15 A 1 ATOM 120 C CB . SER A 1 15 ? 4.948 -2.823 -6.531 1.00 94.85 15 A 1 ATOM 121 O OG . SER A 1 15 ? 5.191 -2.901 -7.917 1.00 79.85 15 A 1 ATOM 122 N N . SER A 1 16 ? 7.395 -1.187 -5.400 1.00 96.17 16 A 1 ATOM 123 C CA . SER A 1 16 ? 8.469 -0.214 -5.592 1.00 95.58 16 A 1 ATOM 124 C C . SER A 1 16 ? 9.790 -0.722 -5.014 1.00 95.61 16 A 1 ATOM 125 O O . SER A 1 16 ? 10.851 -0.530 -5.612 1.00 92.16 16 A 1 ATOM 126 C CB . SER A 1 16 ? 8.086 1.114 -4.939 1.00 93.47 16 A 1 ATOM 127 O OG . SER A 1 16 ? 9.039 2.104 -5.248 1.00 81.81 16 A 1 ATOM 128 N N . CYS A 1 17 ? 9.732 -1.375 -3.861 1.00 94.57 17 A 1 ATOM 129 C CA . CYS A 1 17 ? 10.924 -1.900 -3.194 1.00 94.39 17 A 1 ATOM 130 C C . CYS A 1 17 ? 11.506 -3.111 -3.920 1.00 94.22 17 A 1 ATOM 131 O O . CYS A 1 17 ? 12.718 -3.306 -3.925 1.00 90.96 17 A 1 ATOM 132 C CB . CYS A 1 17 ? 10.587 -2.267 -1.745 1.00 91.90 17 A 1 ATOM 133 S SG . CYS A 1 17 ? 10.394 -0.805 -0.704 1.00 79.74 17 A 1 ATOM 134 N N . THR A 1 18 ? 10.640 -3.917 -4.509 1.00 94.96 18 A 1 ATOM 135 C CA . THR A 1 18 ? 11.076 -5.130 -5.205 1.00 93.29 18 A 1 ATOM 136 C C . THR A 1 18 ? 11.503 -4.855 -6.646 1.00 90.43 18 A 1 ATOM 137 O O . THR A 1 18 ? 11.806 -5.782 -7.397 1.00 83.27 18 A 1 ATOM 138 C CB . THR A 1 18 ? 9.969 -6.201 -5.170 1.00 90.10 18 A 1 ATOM 139 O OG1 . THR A 1 18 ? 10.510 -7.461 -5.552 1.00 80.41 18 A 1 ATOM 140 C CG2 . THR A 1 18 ? 8.814 -5.870 -6.098 1.00 78.04 18 A 1 ATOM 141 N N . SER A 1 19 ? 11.533 -3.588 -7.014 1.00 85.52 19 A 1 ATOM 142 C CA . SER A 1 19 ? 11.907 -3.191 -8.367 1.00 82.00 19 A 1 ATOM 143 C C . SER A 1 19 ? 13.363 -3.547 -8.688 1.00 77.25 19 A 1 ATOM 144 O O . SER A 1 19 ? 14.110 -3.951 -7.783 1.00 69.15 19 A 1 ATOM 145 C CB . SER A 1 19 ? 11.687 -1.693 -8.568 1.00 74.02 19 A 1 ATOM 146 O OG . SER A 1 19 ? 11.911 -1.340 -9.918 1.00 66.14 19 A 1 ATOM 147 O OXT . SER A 1 19 ? 13.773 -3.420 -9.836 1.00 67.63 19 A 1 #