# 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_spkb31868 # _entry.id spkb31868 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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 ARG 2 1 n CYS 3 1 n ILE 4 1 n SER 5 1 n PRO 6 1 n THR 7 1 n ALA 8 1 n LEU 9 1 n VAL 10 1 n THR 11 1 n PHE 12 1 n CYS 13 1 n ALA 14 1 n GLY 15 1 n PHE 16 1 n CYS 17 1 n ILE 18 1 n SER 19 1 n ASN 20 1 n PRO 21 1 n VAL 22 1 n LEU 23 1 n ALA 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 @ 2025-07-12 13:13:11)" _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 87.14 _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 76.48 1 1 A ARG 2 2 76.22 1 2 A CYS 3 2 82.41 1 3 A ILE 4 2 84.72 1 4 A SER 5 2 89.04 1 5 A PRO 6 2 91.41 1 6 A THR 7 2 88.86 1 7 A ALA 8 2 93.09 1 8 A LEU 9 2 89.94 1 9 A VAL 10 2 91.26 1 10 A THR 11 2 89.17 1 11 A PHE 12 2 90.01 1 12 A CYS 13 2 88.70 1 13 A ALA 14 2 91.22 1 14 A GLY 15 2 92.49 1 15 A PHE 16 2 89.53 1 16 A CYS 17 2 89.51 1 17 A ILE 18 2 88.40 1 18 A SER 19 2 91.30 1 19 A ASN 20 2 88.34 1 20 A PRO 21 2 91.43 1 21 A VAL 22 2 88.25 1 22 A LEU 23 2 82.41 1 23 A ALA 24 2 76.60 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 ARG . 2 A 2 A 3 1 n CYS . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n PRO . 6 A 6 A 7 1 n THR . 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 THR . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n ASN . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n ALA . 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 ? 2.885 -6.253 -1.760 1.00 81.14 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.540 -7.218 -0.694 1.00 82.11 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.075 -7.064 -0.294 1.00 84.40 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.181 -7.413 -1.042 1.00 79.98 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.421 -6.959 0.532 1.00 77.49 1 A 1 ATOM 6 C CG . MET A 1 1 ? 4.763 -7.646 0.378 1.00 74.18 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.713 -7.568 1.905 1.00 69.99 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.793 -8.742 2.894 1.00 62.53 1 A 1 ATOM 9 N N . ARG A 1 2 ? 0.845 -6.527 0.894 1.00 83.21 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -0.541 -6.372 1.387 1.00 85.20 2 A 1 ATOM 11 C C . ARG A 1 2 ? -0.842 -4.899 1.640 1.00 86.08 2 A 1 ATOM 12 O O . ARG A 1 2 ? -0.258 -4.288 2.515 1.00 83.52 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -0.675 -7.158 2.690 1.00 81.64 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -2.134 -7.255 3.074 1.00 76.72 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -2.250 -8.095 4.347 1.00 74.39 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -2.030 -7.240 5.522 1.00 70.67 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -1.933 -7.725 6.749 1.00 68.72 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -1.931 -9.012 6.973 1.00 64.35 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -1.844 -6.902 7.761 1.00 63.90 2 A 1 ATOM 20 N N . CYS A 1 3 ? -1.737 -4.344 0.862 1.00 83.03 3 A 1 ATOM 21 C CA . CYS A 1 3 ? -2.107 -2.924 1.043 1.00 84.91 3 A 1 ATOM 22 C C . CYS A 1 3 ? -3.585 -2.838 1.427 1.00 86.94 3 A 1 ATOM 23 O O . CYS A 1 3 ? -4.455 -2.715 0.573 1.00 83.62 3 A 1 ATOM 24 C CB . CYS A 1 3 ? -1.840 -2.178 -0.265 1.00 81.50 3 A 1 ATOM 25 S SG . CYS A 1 3 ? -0.549 -0.923 -0.053 1.00 74.44 3 A 1 ATOM 26 N N . ILE A 1 4 ? -3.842 -2.902 2.706 1.00 86.31 4 A 1 ATOM 27 C CA . ILE A 1 4 ? -5.236 -2.823 3.182 1.00 87.74 4 A 1 ATOM 28 C C . ILE A 1 4 ? -5.366 -1.669 4.175 1.00 90.01 4 A 1 ATOM 29 O O . ILE A 1 4 ? -4.683 -1.622 5.184 1.00 89.09 4 A 1 ATOM 30 C CB . ILE A 1 4 ? -5.610 -4.144 3.855 1.00 86.40 4 A 1 ATOM 31 C CG1 . ILE A 1 4 ? -5.565 -5.264 2.801 1.00 81.91 4 A 1 ATOM 32 C CG2 . ILE A 1 4 ? -7.026 -4.025 4.440 1.00 80.66 4 A 1 ATOM 33 C CD1 . ILE A 1 4 ? -5.757 -6.634 3.460 1.00 75.61 4 A 1 ATOM 34 N N . SER A 1 5 ? -6.241 -0.742 3.871 1.00 89.30 5 A 1 ATOM 35 C CA . SER A 1 5 ? -6.438 0.418 4.753 1.00 91.00 5 A 1 ATOM 36 C C . SER A 1 5 ? -7.913 0.827 4.763 1.00 91.96 5 A 1 ATOM 37 O O . SER A 1 5 ? -8.677 0.422 3.895 1.00 92.36 5 A 1 ATOM 38 C CB . SER A 1 5 ? -5.593 1.573 4.218 1.00 89.18 5 A 1 ATOM 39 O OG . SER A 1 5 ? -4.227 1.275 4.355 1.00 80.42 5 A 1 ATOM 40 N N . PRO A 1 6 ? -8.315 1.635 5.725 1.00 91.84 6 A 1 ATOM 41 C CA . PRO A 1 6 ? -9.708 2.098 5.773 1.00 93.08 6 A 1 ATOM 42 C C . PRO A 1 6 ? -10.053 2.900 4.513 1.00 94.45 6 A 1 ATOM 43 O O . PRO A 1 6 ? -9.177 3.328 3.771 1.00 92.79 6 A 1 ATOM 44 C CB . PRO A 1 6 ? -9.753 2.978 7.031 1.00 90.40 6 A 1 ATOM 45 C CG . PRO A 1 6 ? -8.326 3.229 7.408 1.00 87.42 6 A 1 ATOM 46 C CD . PRO A 1 6 ? -7.538 2.060 6.872 1.00 89.88 6 A 1 ATOM 47 N N . THR A 1 7 ? -11.317 3.116 4.282 1.00 89.70 7 A 1 ATOM 48 C CA . THR A 1 7 ? -11.784 3.814 3.061 1.00 90.87 7 A 1 ATOM 49 C C . THR A 1 7 ? -11.062 5.150 2.846 1.00 92.21 7 A 1 ATOM 50 O O . THR A 1 7 ? -10.916 5.600 1.717 1.00 91.00 7 A 1 ATOM 51 C CB . THR A 1 7 ? -13.279 4.081 3.219 1.00 89.71 7 A 1 ATOM 52 O OG1 . THR A 1 7 ? -13.909 2.908 3.738 1.00 84.64 7 A 1 ATOM 53 C CG2 . THR A 1 7 ? -13.898 4.387 1.858 1.00 83.87 7 A 1 ATOM 54 N N . ALA A 1 8 ? -10.608 5.798 3.891 1.00 93.38 8 A 1 ATOM 55 C CA . ALA A 1 8 ? -9.939 7.110 3.745 1.00 93.41 8 A 1 ATOM 56 C C . ALA A 1 8 ? -8.523 6.974 3.166 1.00 94.17 8 A 1 ATOM 57 O O . ALA A 1 8 ? -8.050 7.866 2.476 1.00 92.12 8 A 1 ATOM 58 C CB . ALA A 1 8 ? -9.888 7.760 5.123 1.00 92.36 8 A 1 ATOM 59 N N . LEU A 1 9 ? -7.831 5.874 3.430 1.00 93.39 9 A 1 ATOM 60 C CA . LEU A 1 9 ? -6.443 5.687 2.947 1.00 93.05 9 A 1 ATOM 61 C C . LEU A 1 9 ? -6.330 4.593 1.888 1.00 94.08 9 A 1 ATOM 62 O O . LEU A 1 9 ? -5.246 4.328 1.395 1.00 93.58 9 A 1 ATOM 63 C CB . LEU A 1 9 ? -5.578 5.323 4.159 1.00 92.35 9 A 1 ATOM 64 C CG . LEU A 1 9 ? -4.840 6.556 4.691 1.00 85.93 9 A 1 ATOM 65 C CD1 . LEU A 1 9 ? -4.235 6.230 6.062 1.00 83.70 9 A 1 ATOM 66 C CD2 . LEU A 1 9 ? -3.710 6.934 3.726 1.00 83.40 9 A 1 ATOM 67 N N . VAL A 1 10 ? -7.409 3.958 1.530 1.00 92.56 10 A 1 ATOM 68 C CA . VAL A 1 10 ? -7.355 2.838 0.560 1.00 92.27 10 A 1 ATOM 69 C C . VAL A 1 10 ? -6.705 3.274 -0.758 1.00 93.25 10 A 1 ATOM 70 O O . VAL A 1 10 ? -5.869 2.568 -1.310 1.00 92.63 10 A 1 ATOM 71 C CB . VAL A 1 10 ? -8.787 2.338 0.316 1.00 91.03 10 A 1 ATOM 72 C CG1 . VAL A 1 10 ? -9.638 3.396 -0.390 1.00 88.27 10 A 1 ATOM 73 C CG2 . VAL A 1 10 ? -8.726 1.073 -0.537 1.00 88.82 10 A 1 ATOM 74 N N . THR A 1 11 ? -7.037 4.440 -1.277 1.00 90.05 11 A 1 ATOM 75 C CA . THR A 1 11 ? -6.467 4.888 -2.565 1.00 90.27 11 A 1 ATOM 76 C C . THR A 1 11 ? -4.980 5.222 -2.417 1.00 91.27 11 A 1 ATOM 77 O O . THR A 1 11 ? -4.185 4.960 -3.312 1.00 90.23 11 A 1 ATOM 78 C CB . THR A 1 11 ? -7.247 6.116 -3.057 1.00 90.08 11 A 1 ATOM 79 O OG1 . THR A 1 11 ? -6.758 6.487 -4.345 1.00 86.69 11 A 1 ATOM 80 C CG2 . THR A 1 11 ? -7.056 7.304 -2.129 1.00 85.61 11 A 1 ATOM 81 N N . PHE A 1 12 ? -4.576 5.769 -1.296 1.00 91.13 12 A 1 ATOM 82 C CA . PHE A 1 12 ? -3.162 6.122 -1.066 1.00 91.04 12 A 1 ATOM 83 C C . PHE A 1 12 ? -2.301 4.855 -1.007 1.00 92.09 12 A 1 ATOM 84 O O . PHE A 1 12 ? -1.259 4.767 -1.642 1.00 90.44 12 A 1 ATOM 85 C CB . PHE A 1 12 ? -3.073 6.880 0.257 1.00 91.21 12 A 1 ATOM 86 C CG . PHE A 1 12 ? -1.666 7.386 0.485 1.00 90.43 12 A 1 ATOM 87 C CD1 . PHE A 1 12 ? -1.247 8.584 -0.095 1.00 88.87 12 A 1 ATOM 88 C CD2 . PHE A 1 12 ? -0.775 6.662 1.279 1.00 89.49 12 A 1 ATOM 89 C CE1 . PHE A 1 12 ? 0.053 9.051 0.115 1.00 88.71 12 A 1 ATOM 90 C CE2 . PHE A 1 12 ? 0.530 7.126 1.486 1.00 88.05 12 A 1 ATOM 91 C CZ . PHE A 1 12 ? 0.943 8.320 0.903 1.00 88.64 12 A 1 ATOM 92 N N . CYS A 1 13 ? -2.723 3.873 -0.251 1.00 90.25 13 A 1 ATOM 93 C CA . CYS A 1 13 ? -1.936 2.625 -0.130 1.00 89.61 13 A 1 ATOM 94 C C . CYS A 1 13 ? -1.888 1.891 -1.475 1.00 90.43 13 A 1 ATOM 95 O O . CYS A 1 13 ? -0.865 1.338 -1.849 1.00 89.04 13 A 1 ATOM 96 C CB . CYS A 1 13 ? -2.590 1.735 0.927 1.00 88.30 13 A 1 ATOM 97 S SG . CYS A 1 13 ? -1.423 0.519 1.586 1.00 84.58 13 A 1 ATOM 98 N N . ALA A 1 14 ? -2.975 1.876 -2.205 1.00 90.52 14 A 1 ATOM 99 C CA . ALA A 1 14 ? -3.021 1.176 -3.504 1.00 91.39 14 A 1 ATOM 100 C C . ALA A 1 14 ? -1.987 1.771 -4.463 1.00 92.71 14 A 1 ATOM 101 O O . ALA A 1 14 ? -1.239 1.046 -5.102 1.00 91.02 14 A 1 ATOM 102 C CB . ALA A 1 14 ? -4.425 1.334 -4.080 1.00 90.46 14 A 1 ATOM 103 N N . GLY A 1 15 ? -1.923 3.081 -4.571 1.00 92.46 15 A 1 ATOM 104 C CA . GLY A 1 15 ? -0.949 3.727 -5.471 1.00 92.26 15 A 1 ATOM 105 C C . GLY A 1 15 ? 0.483 3.474 -5.016 1.00 93.25 15 A 1 ATOM 106 O O . GLY A 1 15 ? 1.371 3.228 -5.821 1.00 91.99 15 A 1 ATOM 107 N N . PHE A 1 16 ? 0.733 3.517 -3.733 1.00 90.91 16 A 1 ATOM 108 C CA . PHE A 1 16 ? 2.088 3.293 -3.191 1.00 90.97 16 A 1 ATOM 109 C C . PHE A 1 16 ? 2.541 1.854 -3.458 1.00 92.20 16 A 1 ATOM 110 O O . PHE A 1 16 ? 3.664 1.618 -3.873 1.00 91.45 16 A 1 ATOM 111 C CB . PHE A 1 16 ? 2.040 3.556 -1.687 1.00 90.76 16 A 1 ATOM 112 C CG . PHE A 1 16 ? 3.436 3.566 -1.117 1.00 89.85 16 A 1 ATOM 113 C CD1 . PHE A 1 16 ? 4.004 2.398 -0.618 1.00 88.18 16 A 1 ATOM 114 C CD2 . PHE A 1 16 ? 4.174 4.754 -1.091 1.00 88.28 16 A 1 ATOM 115 C CE1 . PHE A 1 16 ? 5.301 2.416 -0.101 1.00 87.63 16 A 1 ATOM 116 C CE2 . PHE A 1 16 ? 5.470 4.769 -0.570 1.00 87.11 16 A 1 ATOM 117 C CZ . PHE A 1 16 ? 6.034 3.598 -0.077 1.00 87.52 16 A 1 ATOM 118 N N . CYS A 1 17 ? 1.682 0.889 -3.237 1.00 90.71 17 A 1 ATOM 119 C CA . CYS A 1 17 ? 2.041 -0.527 -3.457 1.00 90.84 17 A 1 ATOM 120 C C . CYS A 1 17 ? 2.316 -0.809 -4.942 1.00 91.59 17 A 1 ATOM 121 O O . CYS A 1 17 ? 3.121 -1.664 -5.272 1.00 89.80 17 A 1 ATOM 122 C CB . CYS A 1 17 ? 0.874 -1.394 -2.978 1.00 89.16 17 A 1 ATOM 123 S SG . CYS A 1 17 ? 1.124 -1.974 -1.275 1.00 84.95 17 A 1 ATOM 124 N N . ILE A 1 18 ? 1.650 -0.119 -5.839 1.00 89.86 18 A 1 ATOM 125 C CA . ILE A 1 18 ? 1.825 -0.375 -7.280 1.00 90.15 18 A 1 ATOM 126 C C . ILE A 1 18 ? 3.057 0.337 -7.848 1.00 91.62 18 A 1 ATOM 127 O O . ILE A 1 18 ? 3.749 -0.206 -8.700 1.00 90.92 18 A 1 ATOM 128 C CB . ILE A 1 18 ? 0.563 0.109 -8.009 1.00 89.68 18 A 1 ATOM 129 C CG1 . ILE A 1 18 ? -0.623 -0.788 -7.626 1.00 87.12 18 A 1 ATOM 130 C CG2 . ILE A 1 18 ? 0.783 0.045 -9.536 1.00 86.43 18 A 1 ATOM 131 C CD1 . ILE A 1 18 ? -1.953 -0.153 -8.054 1.00 81.41 18 A 1 ATOM 132 N N . SER A 1 19 ? 3.353 1.537 -7.409 1.00 92.85 19 A 1 ATOM 133 C CA . SER A 1 19 ? 4.450 2.325 -8.000 1.00 93.00 19 A 1 ATOM 134 C C . SER A 1 19 ? 5.750 2.291 -7.194 1.00 93.63 19 A 1 ATOM 135 O O . SER A 1 19 ? 6.740 2.879 -7.607 1.00 92.53 19 A 1 ATOM 136 C CB . SER A 1 19 ? 3.973 3.772 -8.139 1.00 91.56 19 A 1 ATOM 137 O OG . SER A 1 19 ? 4.858 4.484 -8.977 1.00 84.20 19 A 1 ATOM 138 N N . ASN A 1 20 ? 5.794 1.634 -6.065 1.00 91.49 20 A 1 ATOM 139 C CA . ASN A 1 20 ? 7.029 1.622 -5.258 1.00 91.78 20 A 1 ATOM 140 C C . ASN A 1 20 ? 7.562 0.205 -5.052 1.00 92.42 20 A 1 ATOM 141 O O . ASN A 1 20 ? 6.831 -0.667 -4.607 1.00 91.55 20 A 1 ATOM 142 C CB . ASN A 1 20 ? 6.738 2.266 -3.903 1.00 90.65 20 A 1 ATOM 143 C CG . ASN A 1 20 ? 6.601 3.769 -4.061 1.00 87.19 20 A 1 ATOM 144 O OD1 . ASN A 1 20 ? 5.540 4.271 -4.371 1.00 80.76 20 A 1 ATOM 145 N ND2 . ASN A 1 20 ? 7.666 4.511 -3.842 1.00 80.91 20 A 1 ATOM 146 N N . PRO A 1 21 ? 8.856 -0.019 -5.341 1.00 92.74 21 A 1 ATOM 147 C CA . PRO A 1 21 ? 9.473 -1.341 -5.148 1.00 92.65 21 A 1 ATOM 148 C C . PRO A 1 21 ? 9.713 -1.638 -3.668 1.00 93.16 21 A 1 ATOM 149 O O . PRO A 1 21 ? 10.115 -2.738 -3.312 1.00 89.56 21 A 1 ATOM 150 C CB . PRO A 1 21 ? 10.807 -1.216 -5.903 1.00 90.80 21 A 1 ATOM 151 C CG . PRO A 1 21 ? 11.121 0.253 -5.885 1.00 89.08 21 A 1 ATOM 152 C CD . PRO A 1 21 ? 9.781 0.964 -5.906 1.00 92.02 21 A 1 ATOM 153 N N . VAL A 1 22 ? 9.471 -0.683 -2.816 1.00 90.50 22 A 1 ATOM 154 C CA . VAL A 1 22 ? 9.668 -0.875 -1.361 1.00 90.63 22 A 1 ATOM 155 C C . VAL A 1 22 ? 8.829 -2.052 -0.857 1.00 91.28 22 A 1 ATOM 156 O O . VAL A 1 22 ? 9.257 -2.810 0.006 1.00 89.86 22 A 1 ATOM 157 C CB . VAL A 1 22 ? 9.238 0.398 -0.621 1.00 88.88 22 A 1 ATOM 158 C CG1 . VAL A 1 22 ? 9.449 0.214 0.878 1.00 83.12 22 A 1 ATOM 159 C CG2 . VAL A 1 22 ? 10.063 1.583 -1.112 1.00 83.46 22 A 1 ATOM 160 N N . LEU A 1 23 ? 7.644 -2.213 -1.404 1.00 87.39 23 A 1 ATOM 161 C CA . LEU A 1 23 ? 6.770 -3.326 -0.992 1.00 86.90 23 A 1 ATOM 162 C C . LEU A 1 23 ? 6.993 -4.543 -1.885 1.00 87.61 23 A 1 ATOM 163 O O . LEU A 1 23 ? 7.261 -5.627 -1.401 1.00 85.04 23 A 1 ATOM 164 C CB . LEU A 1 23 ? 5.315 -2.857 -1.089 1.00 84.76 23 A 1 ATOM 165 C CG . LEU A 1 23 ? 5.038 -1.723 -0.099 1.00 79.81 23 A 1 ATOM 166 C CD1 . LEU A 1 23 ? 3.634 -1.189 -0.319 1.00 75.49 23 A 1 ATOM 167 C CD2 . LEU A 1 23 ? 5.155 -2.241 1.340 1.00 72.29 23 A 1 ATOM 168 N N . ALA A 1 24 ? 6.888 -4.359 -3.205 1.00 81.90 24 A 1 ATOM 169 C CA . ALA A 1 24 ? 7.143 -5.420 -4.194 1.00 81.24 24 A 1 ATOM 170 C C . ALA A 1 24 ? 6.309 -5.167 -5.450 1.00 77.87 24 A 1 ATOM 171 O O . ALA A 1 24 ? 5.095 -5.012 -5.347 1.00 73.78 24 A 1 ATOM 172 C CB . ALA A 1 24 ? 6.773 -6.777 -3.612 1.00 75.49 24 A 1 ATOM 173 O OXT . ALA A 1 24 ? 6.894 -5.102 -6.537 1.00 69.34 24 A 1 #