# 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_spkb36249 # _entry.id spkb36249 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "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 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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 VAL 2 1 n HIS 3 1 n SER 4 1 n GLN 5 1 n LEU 6 1 n PRO 7 1 n VAL 8 1 n ALA 9 1 n ALA 10 1 n PRO 11 1 n LEU 12 1 n ARG 13 1 n LEU 14 1 n LEU 15 1 n CYS 16 1 n ALA 17 1 n LEU 18 1 n LEU 19 1 n LEU 20 1 n LEU 21 1 n PRO 22 1 n SER 23 1 n ALA 24 1 n THR 25 1 n MET 26 # _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 @ 2025-07-03 23:22:16)" _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 81.84 _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 71.73 1 1 A VAL 2 2 72.86 1 2 A HIS 3 2 66.24 1 3 A SER 4 2 71.68 1 4 A GLN 5 2 63.64 1 5 A LEU 6 2 73.38 1 6 A PRO 7 2 80.43 1 7 A VAL 8 2 83.57 1 8 A ALA 9 2 89.33 1 9 A ALA 10 2 91.62 1 10 A PRO 11 2 91.06 1 11 A LEU 12 2 89.65 1 12 A ARG 13 2 83.29 1 13 A LEU 14 2 88.42 1 14 A LEU 15 2 88.86 1 15 A CYS 16 2 90.10 1 16 A ALA 17 2 92.75 1 17 A LEU 18 2 90.92 1 18 A LEU 19 2 91.45 1 19 A LEU 20 2 90.04 1 20 A LEU 21 2 86.64 1 21 A PRO 22 2 88.09 1 22 A SER 23 2 83.00 1 23 A ALA 24 2 83.54 1 24 A THR 25 2 76.44 1 25 A MET 26 2 67.80 1 26 # _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 VAL . 2 A 2 A 3 1 n HIS . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ARG . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n PRO . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n THR . 25 A 25 A 26 1 n MET . 26 A 26 # _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 ? -21.906 16.091 7.594 1.00 76.29 1 A 1 ATOM 2 C CA . MET A 1 1 ? -20.500 15.801 7.938 1.00 79.58 1 A 1 ATOM 3 C C . MET A 1 1 ? -20.065 14.614 7.089 1.00 80.94 1 A 1 ATOM 4 O O . MET A 1 1 ? -20.489 13.500 7.362 1.00 76.15 1 A 1 ATOM 5 C CB . MET A 1 1 ? -20.381 15.524 9.450 1.00 73.97 1 A 1 ATOM 6 C CG . MET A 1 1 ? -19.112 16.110 10.068 1.00 67.65 1 A 1 ATOM 7 S SD . MET A 1 1 ? -19.163 16.023 11.883 1.00 63.91 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.676 16.949 12.321 1.00 55.32 1 A 1 ATOM 9 N N . VAL A 1 2 ? -19.369 14.850 5.986 1.00 74.38 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -18.908 13.775 5.092 1.00 76.33 2 A 1 ATOM 11 C C . VAL A 1 2 ? -17.656 13.181 5.718 1.00 77.24 2 A 1 ATOM 12 O O . VAL A 1 2 ? -16.599 13.810 5.714 1.00 73.74 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -18.654 14.287 3.664 1.00 74.02 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -18.168 13.164 2.749 1.00 64.91 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -19.931 14.876 3.061 1.00 69.41 2 A 1 ATOM 16 N N . HIS A 1 3 ? -17.797 11.998 6.323 1.00 74.94 3 A 1 ATOM 17 C CA . HIS A 1 3 ? -16.660 11.253 6.837 1.00 74.47 3 A 1 ATOM 18 C C . HIS A 1 3 ? -15.938 10.647 5.632 1.00 74.77 3 A 1 ATOM 19 O O . HIS A 1 3 ? -16.263 9.548 5.189 1.00 70.46 3 A 1 ATOM 20 C CB . HIS A 1 3 ? -17.134 10.219 7.866 1.00 72.05 3 A 1 ATOM 21 C CG . HIS A 1 3 ? -16.031 9.789 8.796 1.00 64.99 3 A 1 ATOM 22 N ND1 . HIS A 1 3 ? -15.654 10.463 9.940 1.00 58.16 3 A 1 ATOM 23 C CD2 . HIS A 1 3 ? -15.244 8.686 8.707 1.00 58.17 3 A 1 ATOM 24 C CE1 . HIS A 1 3 ? -14.653 9.762 10.512 1.00 56.58 3 A 1 ATOM 25 N NE2 . HIS A 1 3 ? -14.384 8.680 9.796 1.00 57.77 3 A 1 ATOM 26 N N . SER A 1 4 ? -14.994 11.390 5.052 1.00 75.61 4 A 1 ATOM 27 C CA . SER A 1 4 ? -14.069 10.847 4.063 1.00 74.73 4 A 1 ATOM 28 C C . SER A 1 4 ? -13.218 9.799 4.765 1.00 74.68 4 A 1 ATOM 29 O O . SER A 1 4 ? -12.207 10.112 5.384 1.00 69.70 4 A 1 ATOM 30 C CB . SER A 1 4 ? -13.191 11.942 3.462 1.00 71.84 4 A 1 ATOM 31 O OG . SER A 1 4 ? -13.957 12.765 2.614 1.00 63.54 4 A 1 ATOM 32 N N . GLN A 1 5 ? -13.674 8.541 4.722 1.00 71.36 5 A 1 ATOM 33 C CA . GLN A 1 5 ? -12.872 7.407 5.156 1.00 70.43 5 A 1 ATOM 34 C C . GLN A 1 5 ? -11.709 7.289 4.178 1.00 71.36 5 A 1 ATOM 35 O O . GLN A 1 5 ? -11.816 6.651 3.133 1.00 67.94 5 A 1 ATOM 36 C CB . GLN A 1 5 ? -13.704 6.120 5.219 1.00 66.69 5 A 1 ATOM 37 C CG . GLN A 1 5 ? -14.748 6.160 6.336 1.00 61.43 5 A 1 ATOM 38 C CD . GLN A 1 5 ? -15.425 4.809 6.550 1.00 57.33 5 A 1 ATOM 39 O OE1 . GLN A 1 5 ? -14.961 3.765 6.121 1.00 54.88 5 A 1 ATOM 40 N NE2 . GLN A 1 5 ? -16.549 4.774 7.223 1.00 51.38 5 A 1 ATOM 41 N N . LEU A 1 6 ? -10.601 7.963 4.488 1.00 78.33 6 A 1 ATOM 42 C CA . LEU A 1 6 ? -9.358 7.749 3.772 1.00 78.88 6 A 1 ATOM 43 C C . LEU A 1 6 ? -9.000 6.276 3.955 1.00 81.71 6 A 1 ATOM 44 O O . LEU A 1 6 ? -8.809 5.845 5.096 1.00 78.49 6 A 1 ATOM 45 C CB . LEU A 1 6 ? -8.275 8.684 4.322 1.00 75.58 6 A 1 ATOM 46 C CG . LEU A 1 6 ? -7.064 8.780 3.393 1.00 67.46 6 A 1 ATOM 47 C CD1 . LEU A 1 6 ? -7.343 9.699 2.210 1.00 64.21 6 A 1 ATOM 48 C CD2 . LEU A 1 6 ? -5.863 9.323 4.162 1.00 62.35 6 A 1 ATOM 49 N N . PRO A 1 7 ? -8.969 5.470 2.871 1.00 81.72 7 A 1 ATOM 50 C CA . PRO A 1 7 ? -8.643 4.061 2.995 1.00 83.18 7 A 1 ATOM 51 C C . PRO A 1 7 ? -7.195 3.940 3.474 1.00 85.84 7 A 1 ATOM 52 O O . PRO A 1 7 ? -6.258 4.101 2.696 1.00 82.23 7 A 1 ATOM 53 C CB . PRO A 1 7 ? -8.901 3.463 1.603 1.00 78.94 7 A 1 ATOM 54 C CG . PRO A 1 7 ? -8.766 4.640 0.651 1.00 74.61 7 A 1 ATOM 55 C CD . PRO A 1 7 ? -9.221 5.831 1.493 1.00 76.49 7 A 1 ATOM 56 N N . VAL A 1 8 ? -7.006 3.659 4.767 1.00 85.51 8 A 1 ATOM 57 C CA . VAL A 1 8 ? -5.691 3.527 5.413 1.00 86.97 8 A 1 ATOM 58 C C . VAL A 1 8 ? -4.849 2.441 4.733 1.00 89.01 8 A 1 ATOM 59 O O . VAL A 1 8 ? -3.623 2.513 4.707 1.00 87.24 8 A 1 ATOM 60 C CB . VAL A 1 8 ? -5.874 3.229 6.913 1.00 83.90 8 A 1 ATOM 61 C CG1 . VAL A 1 8 ? -4.544 3.107 7.644 1.00 75.39 8 A 1 ATOM 62 C CG2 . VAL A 1 8 ? -6.690 4.323 7.601 1.00 76.98 8 A 1 ATOM 63 N N . ALA A 1 9 ? -5.511 1.463 4.097 1.00 88.92 9 A 1 ATOM 64 C CA . ALA A 1 9 ? -4.850 0.381 3.379 1.00 89.47 9 A 1 ATOM 65 C C . ALA A 1 9 ? -4.057 0.848 2.146 1.00 91.59 9 A 1 ATOM 66 O O . ALA A 1 9 ? -3.035 0.242 1.826 1.00 89.70 9 A 1 ATOM 67 C CB . ALA A 1 9 ? -5.919 -0.642 2.983 1.00 86.99 9 A 1 ATOM 68 N N . ALA A 1 10 ? -4.496 1.915 1.452 1.00 91.69 10 A 1 ATOM 69 C CA . ALA A 1 10 ? -3.797 2.411 0.265 1.00 91.55 10 A 1 ATOM 70 C C . ALA A 1 10 ? -2.413 3.012 0.598 1.00 93.27 10 A 1 ATOM 71 O O . ALA A 1 10 ? -1.422 2.534 0.039 1.00 92.23 10 A 1 ATOM 72 C CB . ALA A 1 10 ? -4.714 3.364 -0.516 1.00 89.34 10 A 1 ATOM 73 N N . PRO A 1 11 ? -2.287 3.989 1.522 1.00 91.88 11 A 1 ATOM 74 C CA . PRO A 1 11 ? -0.985 4.531 1.909 1.00 92.10 11 A 1 ATOM 75 C C . PRO A 1 11 ? -0.106 3.492 2.604 1.00 93.16 11 A 1 ATOM 76 O O . PRO A 1 11 ? 1.104 3.499 2.399 1.00 91.46 11 A 1 ATOM 77 C CB . PRO A 1 11 ? -1.291 5.727 2.821 1.00 90.33 11 A 1 ATOM 78 C CG . PRO A 1 11 ? -2.675 5.433 3.370 1.00 87.69 11 A 1 ATOM 79 C CD . PRO A 1 11 ? -3.346 4.702 2.216 1.00 90.77 11 A 1 ATOM 80 N N . LEU A 1 12 ? -0.681 2.558 3.347 1.00 93.33 12 A 1 ATOM 81 C CA . LEU A 1 12 ? 0.071 1.473 3.972 1.00 93.30 12 A 1 ATOM 82 C C . LEU A 1 12 ? 0.695 0.544 2.926 1.00 94.08 12 A 1 ATOM 83 O O . LEU A 1 12 ? 1.867 0.195 3.039 1.00 93.25 12 A 1 ATOM 84 C CB . LEU A 1 12 ? -0.850 0.704 4.924 1.00 92.65 12 A 1 ATOM 85 C CG . LEU A 1 12 ? -0.103 -0.322 5.789 1.00 86.17 12 A 1 ATOM 86 C CD1 . LEU A 1 12 ? 0.823 0.345 6.802 1.00 82.28 12 A 1 ATOM 87 C CD2 . LEU A 1 12 ? -1.115 -1.181 6.546 1.00 82.12 12 A 1 ATOM 88 N N . ARG A 1 13 ? -0.051 0.164 1.870 1.00 92.69 13 A 1 ATOM 89 C CA . ARG A 1 13 ? 0.475 -0.636 0.755 1.00 92.61 13 A 1 ATOM 90 C C . ARG A 1 13 ? 1.595 0.088 0.019 1.00 93.44 13 A 1 ATOM 91 O O . ARG A 1 13 ? 2.591 -0.551 -0.322 1.00 92.41 13 A 1 ATOM 92 C CB . ARG A 1 13 ? -0.641 -0.982 -0.239 1.00 91.42 13 A 1 ATOM 93 C CG . ARG A 1 13 ? -1.392 -2.247 0.177 1.00 84.30 13 A 1 ATOM 94 C CD . ARG A 1 13 ? -2.476 -2.557 -0.855 1.00 82.01 13 A 1 ATOM 95 N NE . ARG A 1 13 ? -2.602 -4.007 -1.065 1.00 77.25 13 A 1 ATOM 96 C CZ . ARG A 1 13 ? -3.375 -4.592 -1.968 1.00 73.40 13 A 1 ATOM 97 N NH1 . ARG A 1 13 ? -4.178 -3.908 -2.743 1.00 66.91 13 A 1 ATOM 98 N NH2 . ARG A 1 13 ? -3.336 -5.897 -2.113 1.00 69.76 13 A 1 ATOM 99 N N . LEU A 1 14 ? 1.457 1.403 -0.193 1.00 92.94 14 A 1 ATOM 100 C CA . LEU A 1 14 ? 2.496 2.208 -0.824 1.00 92.43 14 A 1 ATOM 101 C C . LEU A 1 14 ? 3.769 2.226 0.029 1.00 93.49 14 A 1 ATOM 102 O O . LEU A 1 14 ? 4.857 2.019 -0.502 1.00 92.38 14 A 1 ATOM 103 C CB . LEU A 1 14 ? 1.951 3.619 -1.068 1.00 91.86 14 A 1 ATOM 104 C CG . LEU A 1 14 ? 2.930 4.538 -1.816 1.00 82.88 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? 3.202 4.045 -3.241 1.00 80.19 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? 2.353 5.947 -1.885 1.00 81.15 14 A 1 ATOM 107 N N . LEU A 1 15 ? 3.637 2.404 1.342 1.00 93.39 15 A 1 ATOM 108 C CA . LEU A 1 15 ? 4.760 2.365 2.273 1.00 92.45 15 A 1 ATOM 109 C C . LEU A 1 15 ? 5.453 1.000 2.257 1.00 93.20 15 A 1 ATOM 110 O O . LEU A 1 15 ? 6.675 0.938 2.154 1.00 92.52 15 A 1 ATOM 111 C CB . LEU A 1 15 ? 4.253 2.724 3.673 1.00 92.04 15 A 1 ATOM 112 C CG . LEU A 1 15 ? 5.368 2.803 4.727 1.00 84.29 15 A 1 ATOM 113 C CD1 . LEU A 1 15 ? 6.341 3.950 4.446 1.00 81.03 15 A 1 ATOM 114 C CD2 . LEU A 1 15 ? 4.751 3.010 6.108 1.00 81.94 15 A 1 ATOM 115 N N . CYS A 1 16 ? 4.693 -0.095 2.299 1.00 92.43 16 A 1 ATOM 116 C CA . CYS A 1 16 ? 5.235 -1.446 2.200 1.00 91.57 16 A 1 ATOM 117 C C . CYS A 1 16 ? 5.975 -1.662 0.875 1.00 91.75 16 A 1 ATOM 118 O O . CYS A 1 16 ? 7.066 -2.217 0.876 1.00 90.41 16 A 1 ATOM 119 C CB . CYS A 1 16 ? 4.105 -2.474 2.346 1.00 90.37 16 A 1 ATOM 120 S SG . CYS A 1 16 ? 3.503 -2.548 4.055 1.00 84.08 16 A 1 ATOM 121 N N . ALA A 1 17 ? 5.420 -1.196 -0.247 1.00 93.37 17 A 1 ATOM 122 C CA . ALA A 1 17 ? 6.073 -1.299 -1.549 1.00 92.89 17 A 1 ATOM 123 C C . ALA A 1 17 ? 7.403 -0.526 -1.580 1.00 93.88 17 A 1 ATOM 124 O O . ALA A 1 17 ? 8.402 -1.063 -2.048 1.00 91.74 17 A 1 ATOM 125 C CB . ALA A 1 17 ? 5.104 -0.808 -2.633 1.00 91.85 17 A 1 ATOM 126 N N . LEU A 1 18 ? 7.451 0.691 -1.017 1.00 93.87 18 A 1 ATOM 127 C CA . LEU A 1 18 ? 8.669 1.497 -0.931 1.00 93.09 18 A 1 ATOM 128 C C . LEU A 1 18 ? 9.736 0.850 -0.037 1.00 93.71 18 A 1 ATOM 129 O O . LEU A 1 18 ? 10.921 0.940 -0.347 1.00 91.95 18 A 1 ATOM 130 C CB . LEU A 1 18 ? 8.314 2.894 -0.407 1.00 92.42 18 A 1 ATOM 131 C CG . LEU A 1 18 ? 7.524 3.768 -1.400 1.00 89.36 18 A 1 ATOM 132 C CD1 . LEU A 1 18 ? 7.020 5.019 -0.684 1.00 86.60 18 A 1 ATOM 133 C CD2 . LEU A 1 18 ? 8.377 4.187 -2.594 1.00 86.36 18 A 1 ATOM 134 N N . LEU A 1 19 ? 9.338 0.170 1.039 1.00 94.40 19 A 1 ATOM 135 C CA . LEU A 1 19 ? 10.255 -0.548 1.926 1.00 93.78 19 A 1 ATOM 136 C C . LEU A 1 19 ? 10.784 -1.842 1.294 1.00 94.34 19 A 1 ATOM 137 O O . LEU A 1 19 ? 11.918 -2.235 1.560 1.00 92.51 19 A 1 ATOM 138 C CB . LEU A 1 19 ? 9.532 -0.851 3.248 1.00 93.20 19 A 1 ATOM 139 C CG . LEU A 1 19 ? 9.266 0.390 4.125 1.00 90.40 19 A 1 ATOM 140 C CD1 . LEU A 1 19 ? 8.354 0.000 5.290 1.00 86.45 19 A 1 ATOM 141 C CD2 . LEU A 1 19 ? 10.552 0.985 4.692 1.00 86.53 19 A 1 ATOM 142 N N . LEU A 1 20 ? 9.982 -2.501 0.456 1.00 94.52 20 A 1 ATOM 143 C CA . LEU A 1 20 ? 10.362 -3.741 -0.225 1.00 93.31 20 A 1 ATOM 144 C C . LEU A 1 20 ? 11.174 -3.480 -1.500 1.00 93.80 20 A 1 ATOM 145 O O . LEU A 1 20 ? 11.982 -4.327 -1.882 1.00 91.70 20 A 1 ATOM 146 C CB . LEU A 1 20 ? 9.094 -4.554 -0.536 1.00 92.10 20 A 1 ATOM 147 C CG . LEU A 1 20 ? 8.411 -5.149 0.712 1.00 87.85 20 A 1 ATOM 148 C CD1 . LEU A 1 20 ? 7.040 -5.710 0.329 1.00 83.52 20 A 1 ATOM 149 C CD2 . LEU A 1 20 ? 9.237 -6.276 1.336 1.00 83.50 20 A 1 ATOM 150 N N . LEU A 1 21 ? 11.011 -2.309 -2.132 1.00 92.89 21 A 1 ATOM 151 C CA . LEU A 1 21 ? 11.734 -1.917 -3.347 1.00 91.78 21 A 1 ATOM 152 C C . LEU A 1 21 ? 13.261 -2.063 -3.215 1.00 92.31 21 A 1 ATOM 153 O O . LEU A 1 21 ? 13.862 -2.733 -4.061 1.00 90.36 21 A 1 ATOM 154 C CB . LEU A 1 21 ? 11.334 -0.482 -3.743 1.00 89.88 21 A 1 ATOM 155 C CG . LEU A 1 21 ? 11.310 -0.266 -5.269 1.00 82.47 21 A 1 ATOM 156 C CD1 . LEU A 1 21 ? 9.982 -0.732 -5.863 1.00 77.14 21 A 1 ATOM 157 C CD2 . LEU A 1 21 ? 11.496 1.217 -5.583 1.00 76.29 21 A 1 ATOM 158 N N . PRO A 1 22 ? 13.925 -1.518 -2.173 1.00 91.12 22 A 1 ATOM 159 C CA . PRO A 1 22 ? 15.373 -1.662 -2.012 1.00 89.73 22 A 1 ATOM 160 C C . PRO A 1 22 ? 15.795 -3.107 -1.724 1.00 89.98 22 A 1 ATOM 161 O O . PRO A 1 22 ? 16.887 -3.506 -2.110 1.00 86.32 22 A 1 ATOM 162 C CB . PRO A 1 22 ? 15.742 -0.718 -0.863 1.00 87.03 22 A 1 ATOM 163 C CG . PRO A 1 22 ? 14.456 -0.592 -0.061 1.00 84.66 22 A 1 ATOM 164 C CD . PRO A 1 22 ? 13.379 -0.674 -1.136 1.00 87.82 22 A 1 ATOM 165 N N . SER A 1 23 ? 14.934 -3.913 -1.108 1.00 87.74 23 A 1 ATOM 166 C CA . SER A 1 23 ? 15.197 -5.332 -0.853 1.00 86.62 23 A 1 ATOM 167 C C . SER A 1 23 ? 15.155 -6.180 -2.123 1.00 84.86 23 A 1 ATOM 168 O O . SER A 1 23 ? 15.758 -7.250 -2.155 1.00 81.28 23 A 1 ATOM 169 C CB . SER A 1 23 ? 14.186 -5.874 0.159 1.00 84.04 23 A 1 ATOM 170 O OG . SER A 1 23 ? 14.565 -7.171 0.572 1.00 73.47 23 A 1 ATOM 171 N N . ALA A 1 24 ? 14.434 -5.731 -3.169 1.00 86.47 24 A 1 ATOM 172 C CA . ALA A 1 24 ? 14.390 -6.408 -4.467 1.00 84.08 24 A 1 ATOM 173 C C . ALA A 1 24 ? 15.598 -6.054 -5.358 1.00 84.05 24 A 1 ATOM 174 O O . ALA A 1 24 ? 15.810 -6.699 -6.384 1.00 81.29 24 A 1 ATOM 175 C CB . ALA A 1 24 ? 13.058 -6.065 -5.149 1.00 81.82 24 A 1 ATOM 176 N N . THR A 1 25 ? 16.383 -5.042 -4.974 1.00 85.22 25 A 1 ATOM 177 C CA . THR A 1 25 ? 17.559 -4.569 -5.728 1.00 81.26 25 A 1 ATOM 178 C C . THR A 1 25 ? 18.875 -5.118 -5.157 1.00 77.42 25 A 1 ATOM 179 O O . THR A 1 25 ? 19.944 -4.829 -5.688 1.00 73.18 25 A 1 ATOM 180 C CB . THR A 1 25 ? 17.574 -3.033 -5.783 1.00 78.39 25 A 1 ATOM 181 O OG1 . THR A 1 25 ? 16.268 -2.504 -5.939 1.00 70.32 25 A 1 ATOM 182 C CG2 . THR A 1 25 ? 18.369 -2.485 -6.965 1.00 69.30 25 A 1 ATOM 183 N N . MET A 1 26 ? 18.801 -5.879 -4.081 1.00 79.45 26 A 1 ATOM 184 C CA . MET A 1 26 ? 19.959 -6.502 -3.438 1.00 75.87 26 A 1 ATOM 185 C C . MET A 1 26 ? 20.167 -7.941 -3.924 1.00 73.90 26 A 1 ATOM 186 O O . MET A 1 26 ? 19.171 -8.665 -4.074 1.00 70.16 26 A 1 ATOM 187 C CB . MET A 1 26 ? 19.820 -6.417 -1.908 1.00 69.15 26 A 1 ATOM 188 C CG . MET A 1 26 ? 21.182 -6.295 -1.239 1.00 65.11 26 A 1 ATOM 189 S SD . MET A 1 26 ? 21.078 -6.212 0.567 1.00 60.89 26 A 1 ATOM 190 C CE . MET A 1 26 ? 22.686 -5.484 0.923 1.00 53.84 26 A 1 ATOM 191 O OXT . MET A 1 26 ? 21.355 -8.300 -4.139 1.00 61.80 26 A 1 #