# 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_spkb36246 # _entry.id spkb36246 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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 SER 2 1 n ALA 3 1 n PHE 4 1 n ASN 5 1 n ILE 6 1 n PHE 7 1 n ALA 8 1 n LEU 9 1 n VAL 10 1 n VAL 11 1 n VAL 12 1 n VAL 13 1 n CYS 14 1 n ALA 15 1 n LEU 16 1 n MET 17 1 n ILE 18 1 n ASN 19 1 n GLU 20 1 n CYS 21 1 n CYS 22 1 n THR 23 1 n SER 24 # _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 05:05:11)" _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 91.26 _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 79.79 1 1 A SER 2 2 89.34 1 2 A ALA 3 2 95.69 1 3 A PHE 4 2 92.31 1 4 A ASN 5 2 92.79 1 5 A ILE 6 2 95.17 1 6 A PHE 7 2 94.31 1 7 A ALA 8 2 96.99 1 8 A LEU 9 2 92.84 1 9 A VAL 10 2 95.78 1 10 A VAL 11 2 96.10 1 11 A VAL 12 2 96.25 1 12 A VAL 13 2 95.56 1 13 A CYS 14 2 94.05 1 14 A ALA 15 2 96.51 1 15 A LEU 16 2 93.60 1 16 A MET 17 2 89.94 1 17 A ILE 18 2 93.99 1 18 A ASN 19 2 90.18 1 19 A GLU 20 2 86.70 1 20 A CYS 21 2 90.62 1 21 A CYS 22 2 89.66 1 22 A THR 23 2 82.59 1 23 A SER 24 2 72.90 1 24 # _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 SER . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n MET . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n CYS . 22 A 22 A 23 1 n THR . 23 A 23 A 24 1 n SER . 24 A 24 # _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 ? -2.823 -17.918 2.803 1.00 87.01 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.183 -16.585 2.771 1.00 88.63 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.886 -16.132 4.194 1.00 89.04 1 A 1 ATOM 4 O O . MET A 1 1 ? -2.703 -16.341 5.086 1.00 86.47 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.040 -15.563 2.012 1.00 81.20 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.466 -15.423 2.557 1.00 74.22 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.537 -14.505 1.422 1.00 68.71 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.128 -14.719 2.238 1.00 63.01 1 A 1 ATOM 9 N N . SER A 1 2 ? -0.724 -15.553 4.423 1.00 88.83 2 A 1 ATOM 10 C CA . SER A 1 2 ? -0.352 -15.062 5.751 1.00 93.02 2 A 1 ATOM 11 C C . SER A 1 2 ? -1.117 -13.777 6.075 1.00 94.48 2 A 1 ATOM 12 O O . SER A 1 2 ? -1.353 -12.958 5.185 1.00 93.47 2 A 1 ATOM 13 C CB . SER A 1 2 ? 1.154 -14.818 5.817 1.00 89.16 2 A 1 ATOM 14 O OG . SER A 1 2 ? 1.507 -14.276 7.071 1.00 77.11 2 A 1 ATOM 15 N N . ALA A 1 3 ? -1.453 -13.576 7.355 1.00 94.91 3 A 1 ATOM 16 C CA . ALA A 1 3 ? -2.064 -12.325 7.818 1.00 96.09 3 A 1 ATOM 17 C C . ALA A 1 3 ? -1.177 -11.108 7.497 1.00 96.59 3 A 1 ATOM 18 O O . ALA A 1 3 ? -1.687 -10.044 7.146 1.00 96.04 3 A 1 ATOM 19 C CB . ALA A 1 3 ? -2.317 -12.441 9.322 1.00 94.82 3 A 1 ATOM 20 N N . PHE A 1 4 ? 0.142 -11.301 7.542 1.00 95.74 4 A 1 ATOM 21 C CA . PHE A 1 4 ? 1.104 -10.267 7.152 1.00 95.98 4 A 1 ATOM 22 C C . PHE A 1 4 ? 0.960 -9.876 5.675 1.00 96.61 4 A 1 ATOM 23 O O . PHE A 1 4 ? 1.051 -8.696 5.338 1.00 96.04 4 A 1 ATOM 24 C CB . PHE A 1 4 ? 2.521 -10.774 7.439 1.00 95.16 4 A 1 ATOM 25 C CG . PHE A 1 4 ? 3.576 -9.733 7.148 1.00 92.32 4 A 1 ATOM 26 C CD1 . PHE A 1 4 ? 4.264 -9.738 5.925 1.00 90.09 4 A 1 ATOM 27 C CD2 . PHE A 1 4 ? 3.840 -8.729 8.087 1.00 89.76 4 A 1 ATOM 28 C CE1 . PHE A 1 4 ? 5.216 -8.747 5.643 1.00 88.25 4 A 1 ATOM 29 C CE2 . PHE A 1 4 ? 4.789 -7.734 7.810 1.00 87.93 4 A 1 ATOM 30 C CZ . PHE A 1 4 ? 5.475 -7.746 6.587 1.00 87.48 4 A 1 ATOM 31 N N . ASN A 1 5 ? 0.685 -10.850 4.800 1.00 95.49 5 A 1 ATOM 32 C CA . ASN A 1 5 ? 0.509 -10.586 3.372 1.00 96.25 5 A 1 ATOM 33 C C . ASN A 1 5 ? -0.754 -9.753 3.103 1.00 96.65 5 A 1 ATOM 34 O O . ASN A 1 5 ? -0.745 -8.859 2.261 1.00 96.05 5 A 1 ATOM 35 C CB . ASN A 1 5 ? 0.480 -11.928 2.622 1.00 95.14 5 A 1 ATOM 36 C CG . ASN A 1 5 ? 0.778 -11.737 1.148 1.00 90.49 5 A 1 ATOM 37 O OD1 . ASN A 1 5 ? 1.763 -11.133 0.772 1.00 86.62 5 A 1 ATOM 38 N ND2 . ASN A 1 5 ? -0.044 -12.266 0.270 1.00 85.66 5 A 1 ATOM 39 N N . ILE A 1 6 ? -1.830 -10.021 3.843 1.00 96.89 6 A 1 ATOM 40 C CA . ILE A 1 6 ? -3.066 -9.228 3.770 1.00 96.98 6 A 1 ATOM 41 C C . ILE A 1 6 ? -2.800 -7.806 4.265 1.00 97.26 6 A 1 ATOM 42 O O . ILE A 1 6 ? -3.188 -6.838 3.612 1.00 97.03 6 A 1 ATOM 43 C CB . ILE A 1 6 ? -4.196 -9.903 4.580 1.00 96.70 6 A 1 ATOM 44 C CG1 . ILE A 1 6 ? -4.528 -11.292 3.993 1.00 94.78 6 A 1 ATOM 45 C CG2 . ILE A 1 6 ? -5.454 -9.012 4.594 1.00 93.83 6 A 1 ATOM 46 C CD1 . ILE A 1 6 ? -5.481 -12.107 4.867 1.00 87.92 6 A 1 ATOM 47 N N . PHE A 1 7 ? -2.110 -7.679 5.389 1.00 96.57 7 A 1 ATOM 48 C CA . PHE A 1 7 ? -1.737 -6.375 5.933 1.00 96.59 7 A 1 ATOM 49 C C . PHE A 1 7 ? -0.873 -5.582 4.944 1.00 96.83 7 A 1 ATOM 50 O O . PHE A 1 7 ? -1.160 -4.413 4.683 1.00 96.41 7 A 1 ATOM 51 C CB . PHE A 1 7 ? -1.018 -6.574 7.270 1.00 96.49 7 A 1 ATOM 52 C CG . PHE A 1 7 ? -0.601 -5.264 7.899 1.00 95.01 7 A 1 ATOM 53 C CD1 . PHE A 1 7 ? 0.724 -4.811 7.792 1.00 92.58 7 A 1 ATOM 54 C CD2 . PHE A 1 7 ? -1.552 -4.477 8.564 1.00 92.72 7 A 1 ATOM 55 C CE1 . PHE A 1 7 ? 1.099 -3.581 8.354 1.00 91.38 7 A 1 ATOM 56 C CE2 . PHE A 1 7 ? -1.177 -3.245 9.122 1.00 91.14 7 A 1 ATOM 57 C CZ . PHE A 1 7 ? 0.146 -2.798 9.019 1.00 91.68 7 A 1 ATOM 58 N N . ALA A 1 8 ? 0.118 -6.233 4.348 1.00 96.98 8 A 1 ATOM 59 C CA . ALA A 1 8 ? 0.971 -5.603 3.343 1.00 97.15 8 A 1 ATOM 60 C C . ALA A 1 8 ? 0.160 -5.126 2.122 1.00 97.35 8 A 1 ATOM 61 O O . ALA A 1 8 ? 0.381 -4.012 1.645 1.00 96.72 8 A 1 ATOM 62 C CB . ALA A 1 8 ? 2.067 -6.594 2.939 1.00 96.76 8 A 1 ATOM 63 N N . LEU A 1 9 ? -0.806 -5.922 1.661 1.00 95.48 9 A 1 ATOM 64 C CA . LEU A 1 9 ? -1.692 -5.530 0.563 1.00 95.47 9 A 1 ATOM 65 C C . LEU A 1 9 ? -2.501 -4.275 0.915 1.00 96.24 9 A 1 ATOM 66 O O . LEU A 1 9 ? -2.570 -3.343 0.117 1.00 95.95 9 A 1 ATOM 67 C CB . LEU A 1 9 ? -2.622 -6.712 0.226 1.00 94.70 9 A 1 ATOM 68 C CG . LEU A 1 9 ? -3.500 -6.455 -1.015 1.00 89.77 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? -2.689 -6.603 -2.308 1.00 87.34 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? -4.661 -7.441 -1.045 1.00 87.74 9 A 1 ATOM 71 N N . VAL A 1 10 ? -3.076 -4.232 2.111 1.00 96.14 10 A 1 ATOM 72 C CA . VAL A 1 10 ? -3.836 -3.065 2.589 1.00 96.56 10 A 1 ATOM 73 C C . VAL A 1 10 ? -2.945 -1.825 2.645 1.00 97.04 10 A 1 ATOM 74 O O . VAL A 1 10 ? -3.350 -0.762 2.176 1.00 96.60 10 A 1 ATOM 75 C CB . VAL A 1 10 ? -4.481 -3.356 3.959 1.00 95.98 10 A 1 ATOM 76 C CG1 . VAL A 1 10 ? -5.132 -2.112 4.573 1.00 94.07 10 A 1 ATOM 77 C CG2 . VAL A 1 10 ? -5.575 -4.422 3.819 1.00 94.08 10 A 1 ATOM 78 N N . VAL A 1 11 ? -1.731 -1.962 3.160 1.00 96.70 11 A 1 ATOM 79 C CA . VAL A 1 11 ? -0.764 -0.854 3.218 1.00 96.88 11 A 1 ATOM 80 C C . VAL A 1 11 ? -0.430 -0.340 1.816 1.00 97.21 11 A 1 ATOM 81 O O . VAL A 1 11 ? -0.413 0.872 1.606 1.00 96.74 11 A 1 ATOM 82 C CB . VAL A 1 11 ? 0.510 -1.271 3.977 1.00 96.26 11 A 1 ATOM 83 C CG1 . VAL A 1 11 ? 1.614 -0.210 3.893 1.00 94.66 11 A 1 ATOM 84 C CG2 . VAL A 1 11 ? 0.196 -1.485 5.461 1.00 94.25 11 A 1 ATOM 85 N N . VAL A 1 12 ? -0.218 -1.229 0.855 1.00 96.92 12 A 1 ATOM 86 C CA . VAL A 1 12 ? 0.070 -0.840 -0.535 1.00 97.07 12 A 1 ATOM 87 C C . VAL A 1 12 ? -1.118 -0.096 -1.152 1.00 97.30 12 A 1 ATOM 88 O O . VAL A 1 12 ? -0.924 0.960 -1.754 1.00 96.70 12 A 1 ATOM 89 C CB . VAL A 1 12 ? 0.470 -2.067 -1.378 1.00 96.57 12 A 1 ATOM 90 C CG1 . VAL A 1 12 ? 0.551 -1.746 -2.877 1.00 94.73 12 A 1 ATOM 91 C CG2 . VAL A 1 12 ? 1.847 -2.583 -0.952 1.00 94.44 12 A 1 ATOM 92 N N . VAL A 1 13 ? -2.329 -0.593 -0.974 1.00 96.67 13 A 1 ATOM 93 C CA . VAL A 1 13 ? -3.537 0.076 -1.486 1.00 96.49 13 A 1 ATOM 94 C C . VAL A 1 13 ? -3.705 1.458 -0.852 1.00 96.70 13 A 1 ATOM 95 O O . VAL A 1 13 ? -3.946 2.436 -1.563 1.00 96.01 13 A 1 ATOM 96 C CB . VAL A 1 13 ? -4.785 -0.804 -1.260 1.00 95.90 13 A 1 ATOM 97 C CG1 . VAL A 1 13 ? -6.079 -0.068 -1.619 1.00 93.41 13 A 1 ATOM 98 C CG2 . VAL A 1 13 ? -4.712 -2.062 -2.132 1.00 93.75 13 A 1 ATOM 99 N N . CYS A 1 14 ? -3.526 1.564 0.457 1.00 95.64 14 A 1 ATOM 100 C CA . CYS A 1 14 ? -3.575 2.848 1.151 1.00 95.42 14 A 1 ATOM 101 C C . CYS A 1 14 ? -2.483 3.799 0.650 1.00 95.91 14 A 1 ATOM 102 O O . CYS A 1 14 ? -2.757 4.974 0.430 1.00 94.75 14 A 1 ATOM 103 C CB . CYS A 1 14 ? -3.439 2.622 2.664 1.00 94.43 14 A 1 ATOM 104 S SG . CYS A 1 14 ? -4.932 1.874 3.360 1.00 88.13 14 A 1 ATOM 105 N N . ALA A 1 15 ? -1.267 3.300 0.440 1.00 96.65 15 A 1 ATOM 106 C CA . ALA A 1 15 ? -0.166 4.109 -0.077 1.00 96.76 15 A 1 ATOM 107 C C . ALA A 1 15 ? -0.456 4.638 -1.492 1.00 96.93 15 A 1 ATOM 108 O O . ALA A 1 15 ? -0.173 5.803 -1.768 1.00 95.74 15 A 1 ATOM 109 C CB . ALA A 1 15 ? 1.125 3.281 -0.041 1.00 96.46 15 A 1 ATOM 110 N N . LEU A 1 16 ? -1.066 3.825 -2.357 1.00 96.67 16 A 1 ATOM 111 C CA . LEU A 1 16 ? -1.469 4.257 -3.699 1.00 96.15 16 A 1 ATOM 112 C C . LEU A 1 16 ? -2.542 5.346 -3.637 1.00 96.20 16 A 1 ATOM 113 O O . LEU A 1 16 ? -2.423 6.363 -4.321 1.00 95.04 16 A 1 ATOM 114 C CB . LEU A 1 16 ? -1.968 3.042 -4.503 1.00 95.73 16 A 1 ATOM 115 C CG . LEU A 1 16 ? -0.868 2.061 -4.927 1.00 91.50 16 A 1 ATOM 116 C CD1 . LEU A 1 16 ? -1.498 0.794 -5.507 1.00 88.64 16 A 1 ATOM 117 C CD2 . LEU A 1 16 ? 0.061 2.660 -5.982 1.00 88.84 16 A 1 ATOM 118 N N . MET A 1 17 ? -3.545 5.180 -2.786 1.00 96.07 17 A 1 ATOM 119 C CA . MET A 1 17 ? -4.589 6.196 -2.589 1.00 95.70 17 A 1 ATOM 120 C C . MET A 1 17 ? -4.018 7.500 -2.026 1.00 95.58 17 A 1 ATOM 121 O O . MET A 1 17 ? -4.375 8.584 -2.486 1.00 94.43 17 A 1 ATOM 122 C CB . MET A 1 17 ? -5.682 5.655 -1.658 1.00 95.27 17 A 1 ATOM 123 C CG . MET A 1 17 ? -6.599 4.670 -2.380 1.00 89.63 17 A 1 ATOM 124 S SD . MET A 1 17 ? -8.043 4.201 -1.396 1.00 81.40 17 A 1 ATOM 125 C CE . MET A 1 17 ? -9.210 3.881 -2.733 1.00 71.46 17 A 1 ATOM 126 N N . ILE A 1 18 ? -3.115 7.406 -1.053 1.00 96.83 18 A 1 ATOM 127 C CA . ILE A 1 18 ? -2.438 8.581 -0.491 1.00 96.49 18 A 1 ATOM 128 C C . ILE A 1 18 ? -1.581 9.260 -1.563 1.00 96.31 18 A 1 ATOM 129 O O . ILE A 1 18 ? -1.594 10.486 -1.662 1.00 95.89 18 A 1 ATOM 130 C CB . ILE A 1 18 ? -1.606 8.191 0.751 1.00 95.75 18 A 1 ATOM 131 C CG1 . ILE A 1 18 ? -2.537 7.774 1.916 1.00 92.97 18 A 1 ATOM 132 C CG2 . ILE A 1 18 ? -0.707 9.355 1.206 1.00 90.84 18 A 1 ATOM 133 C CD1 . ILE A 1 18 ? -1.810 7.038 3.042 1.00 86.83 18 A 1 ATOM 134 N N . ASN A 1 19 ? -0.880 8.487 -2.380 1.00 95.64 19 A 1 ATOM 135 C CA . ASN A 1 19 ? -0.069 9.038 -3.464 1.00 95.56 19 A 1 ATOM 136 C C . ASN A 1 19 ? -0.929 9.826 -4.458 1.00 95.25 19 A 1 ATOM 137 O O . ASN A 1 19 ? -0.565 10.944 -4.817 1.00 94.12 19 A 1 ATOM 138 C CB . ASN A 1 19 ? 0.702 7.905 -4.151 1.00 94.53 19 A 1 ATOM 139 C CG . ASN A 1 19 ? 1.683 8.445 -5.165 1.00 87.85 19 A 1 ATOM 140 O OD1 . ASN A 1 19 ? 2.657 9.089 -4.824 1.00 78.75 19 A 1 ATOM 141 N ND2 . ASN A 1 19 ? 1.450 8.202 -6.438 1.00 79.74 19 A 1 ATOM 142 N N . GLU A 1 20 ? -2.089 9.294 -4.858 1.00 94.82 20 A 1 ATOM 143 C CA . GLU A 1 20 ? -3.016 10.025 -5.734 1.00 94.31 20 A 1 ATOM 144 C C . GLU A 1 20 ? -3.593 11.273 -5.058 1.00 93.94 20 A 1 ATOM 145 O O . GLU A 1 20 ? -3.777 12.299 -5.713 1.00 91.01 20 A 1 ATOM 146 C CB . GLU A 1 20 ? -4.159 9.106 -6.186 1.00 93.40 20 A 1 ATOM 147 C CG . GLU A 1 20 ? -3.701 8.115 -7.261 1.00 85.66 20 A 1 ATOM 148 C CD . GLU A 1 20 ? -4.869 7.343 -7.871 1.00 79.40 20 A 1 ATOM 149 O OE1 . GLU A 1 20 ? -6.028 7.489 -7.421 1.00 73.66 20 A 1 ATOM 150 O OE2 . GLU A 1 20 ? -4.628 6.576 -8.820 1.00 74.14 20 A 1 ATOM 151 N N . CYS A 1 21 ? -3.853 11.209 -3.748 1.00 92.48 21 A 1 ATOM 152 C CA . CYS A 1 21 ? -4.405 12.343 -2.999 1.00 92.58 21 A 1 ATOM 153 C C . CYS A 1 21 ? -3.361 13.433 -2.709 1.00 93.61 21 A 1 ATOM 154 O O . CYS A 1 21 ? -3.710 14.611 -2.608 1.00 91.87 21 A 1 ATOM 155 C CB . CYS A 1 21 ? -5.028 11.800 -1.703 1.00 90.73 21 A 1 ATOM 156 S SG . CYS A 1 21 ? -6.001 13.070 -0.878 1.00 82.48 21 A 1 ATOM 157 N N . CYS A 1 22 ? -2.096 13.042 -2.548 1.00 91.02 22 A 1 ATOM 158 C CA . CYS A 1 22 ? -1.009 13.947 -2.163 1.00 90.83 22 A 1 ATOM 159 C C . CYS A 1 22 ? -0.117 14.360 -3.339 1.00 91.18 22 A 1 ATOM 160 O O . CYS A 1 22 ? 0.745 15.220 -3.160 1.00 90.18 22 A 1 ATOM 161 C CB . CYS A 1 22 ? -0.176 13.308 -1.038 1.00 90.01 22 A 1 ATOM 162 S SG . CYS A 1 22 ? -1.152 13.058 0.463 1.00 84.75 22 A 1 ATOM 163 N N . THR A 1 23 ? -0.300 13.765 -4.514 1.00 89.54 23 A 1 ATOM 164 C CA . THR A 1 23 ? 0.411 14.215 -5.712 1.00 87.47 23 A 1 ATOM 165 C C . THR A 1 23 ? -0.312 15.415 -6.326 1.00 85.06 23 A 1 ATOM 166 O O . THR A 1 23 ? -1.539 15.493 -6.305 1.00 80.08 23 A 1 ATOM 167 C CB . THR A 1 23 ? 0.617 13.057 -6.703 1.00 84.23 23 A 1 ATOM 168 O OG1 . THR A 1 23 ? 1.665 13.384 -7.591 1.00 76.87 23 A 1 ATOM 169 C CG2 . THR A 1 23 ? -0.608 12.697 -7.533 1.00 74.89 23 A 1 ATOM 170 N N . SER A 1 24 ? 0.436 16.352 -6.829 1.00 82.28 24 A 1 ATOM 171 C CA . SER A 1 24 ? -0.090 17.522 -7.531 1.00 80.09 24 A 1 ATOM 172 C C . SER A 1 24 ? 0.206 17.444 -9.026 1.00 75.47 24 A 1 ATOM 173 O O . SER A 1 24 ? 1.275 16.925 -9.394 1.00 68.44 24 A 1 ATOM 174 C CB . SER A 1 24 ? 0.491 18.798 -6.929 1.00 72.59 24 A 1 ATOM 175 O OG . SER A 1 24 ? 1.893 18.772 -7.013 1.00 65.66 24 A 1 ATOM 176 O OXT . SER A 1 24 ? -0.629 17.922 -9.819 1.00 65.76 24 A 1 #