# 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_spkb42801 # _entry.id spkb42801 # 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 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" "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 ALA 2 1 n THR 3 1 n PRO 4 1 n TRP 5 1 n ARG 6 1 n ARG 7 1 n ALA 8 1 n LEU 9 1 n LEU 10 1 n MET 11 1 n ILE 12 1 n LEU 13 1 n ALA 14 1 n SER 15 1 n GLN 16 1 n VAL 17 1 n VAL 18 1 n THR 19 1 n LEU 20 1 n VAL 21 1 n LYS 22 1 n CYS 23 # _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 @ 2025-07-05 05:12:51)" _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 93.48 _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 78.90 1 1 A ALA 2 2 92.16 1 2 A THR 3 2 92.09 1 3 A PRO 4 2 95.49 1 4 A TRP 5 2 91.14 1 5 A ARG 6 2 89.19 1 6 A ARG 7 2 88.49 1 7 A ALA 8 2 98.22 1 8 A LEU 9 2 95.81 1 9 A LEU 10 2 95.92 1 10 A MET 11 2 93.57 1 11 A ILE 12 2 97.44 1 12 A LEU 13 2 96.47 1 13 A ALA 14 2 98.48 1 14 A SER 15 2 96.58 1 15 A GLN 16 2 94.50 1 16 A VAL 17 2 97.78 1 17 A VAL 18 2 97.62 1 18 A THR 19 2 96.90 1 19 A LEU 20 2 95.65 1 20 A VAL 21 2 97.15 1 21 A LYS 22 2 91.60 1 22 A CYS 23 2 89.85 1 23 # _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 ALA . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n TRP . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n LYS . 22 A 22 A 23 1 n CYS . 23 A 23 # _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 ? 1.620 -19.453 0.785 1.00 86.58 1 A 1 ATOM 2 C CA . MET A 1 1 ? 0.698 -18.465 1.372 1.00 86.41 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.419 -17.353 0.372 1.00 86.96 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.217 -16.434 0.230 1.00 83.65 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.297 -17.867 2.643 1.00 81.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.224 -18.840 3.800 1.00 74.38 1 A 1 ATOM 7 S SD . MET A 1 1 ? 1.824 -18.109 5.324 1.00 69.70 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.309 -19.352 6.490 1.00 61.92 1 A 1 ATOM 9 N N . ALA A 1 2 ? -0.678 -17.478 -0.331 1.00 90.00 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -1.072 -16.467 -1.306 1.00 93.15 2 A 1 ATOM 11 C C . ALA A 1 2 ? -1.958 -15.426 -0.627 1.00 94.57 2 A 1 ATOM 12 O O . ALA A 1 2 ? -3.147 -15.659 -0.413 1.00 92.79 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -1.804 -17.133 -2.462 1.00 90.27 2 A 1 ATOM 14 N N . THR A 1 3 ? -1.369 -14.300 -0.281 1.00 95.35 3 A 1 ATOM 15 C CA . THR A 1 3 ? -2.105 -13.232 0.387 1.00 95.72 3 A 1 ATOM 16 C C . THR A 1 3 ? -2.173 -11.996 -0.506 1.00 96.20 3 A 1 ATOM 17 O O . THR A 1 3 ? -1.264 -11.161 -0.493 1.00 95.03 3 A 1 ATOM 18 C CB . THR A 1 3 ? -1.450 -12.885 1.721 1.00 93.98 3 A 1 ATOM 19 O OG1 . THR A 1 3 ? -0.044 -12.786 1.567 1.00 85.06 3 A 1 ATOM 20 C CG2 . THR A 1 3 ? -1.753 -13.940 2.760 1.00 83.29 3 A 1 ATOM 21 N N . PRO A 1 4 ? -3.245 -11.874 -1.280 1.00 96.51 4 A 1 ATOM 22 C CA . PRO A 1 4 ? -3.425 -10.727 -2.173 1.00 96.64 4 A 1 ATOM 23 C C . PRO A 1 4 ? -3.633 -9.425 -1.406 1.00 97.11 4 A 1 ATOM 24 O O . PRO A 1 4 ? -3.522 -8.341 -1.979 1.00 96.11 4 A 1 ATOM 25 C CB . PRO A 1 4 ? -4.661 -11.100 -2.997 1.00 94.95 4 A 1 ATOM 26 C CG . PRO A 1 4 ? -5.427 -12.055 -2.136 1.00 92.24 4 A 1 ATOM 27 C CD . PRO A 1 4 ? -4.382 -12.805 -1.353 1.00 94.85 4 A 1 ATOM 28 N N . TRP A 1 5 ? -3.913 -9.532 -0.111 1.00 96.61 5 A 1 ATOM 29 C CA . TRP A 1 5 ? -4.128 -8.359 0.732 1.00 96.76 5 A 1 ATOM 30 C C . TRP A 1 5 ? -2.906 -7.443 0.726 1.00 97.08 5 A 1 ATOM 31 O O . TRP A 1 5 ? -3.039 -6.233 0.878 1.00 96.34 5 A 1 ATOM 32 C CB . TRP A 1 5 ? -4.449 -8.803 2.156 1.00 95.89 5 A 1 ATOM 33 C CG . TRP A 1 5 ? -3.243 -9.044 3.005 1.00 92.70 5 A 1 ATOM 34 C CD1 . TRP A 1 5 ? -2.528 -10.183 3.093 1.00 89.18 5 A 1 ATOM 35 C CD2 . TRP A 1 5 ? -2.599 -8.090 3.879 1.00 91.63 5 A 1 ATOM 36 N NE1 . TRP A 1 5 ? -1.472 -10.009 3.971 1.00 87.52 5 A 1 ATOM 37 C CE2 . TRP A 1 5 ? -1.497 -8.727 4.468 1.00 90.88 5 A 1 ATOM 38 C CE3 . TRP A 1 5 ? -2.865 -6.758 4.214 1.00 86.32 5 A 1 ATOM 39 C CZ2 . TRP A 1 5 ? -0.652 -8.074 5.380 1.00 87.03 5 A 1 ATOM 40 C CZ3 . TRP A 1 5 ? -2.024 -6.107 5.124 1.00 84.25 5 A 1 ATOM 41 C CH2 . TRP A 1 5 ? -0.931 -6.765 5.693 1.00 83.74 5 A 1 ATOM 42 N N . ARG A 1 6 ? -1.721 -8.023 0.532 1.00 97.31 6 A 1 ATOM 43 C CA . ARG A 1 6 ? -0.490 -7.231 0.487 1.00 97.53 6 A 1 ATOM 44 C C . ARG A 1 6 ? -0.515 -6.243 -0.666 1.00 97.84 6 A 1 ATOM 45 O O . ARG A 1 6 ? 0.017 -5.142 -0.562 1.00 97.66 6 A 1 ATOM 46 C CB . ARG A 1 6 ? 0.725 -8.149 0.372 1.00 97.29 6 A 1 ATOM 47 C CG . ARG A 1 6 ? 1.027 -8.837 1.691 1.00 91.92 6 A 1 ATOM 48 C CD . ARG A 1 6 ? 2.442 -9.393 1.715 1.00 88.90 6 A 1 ATOM 49 N NE . ARG A 1 6 ? 2.557 -10.628 0.935 1.00 82.40 6 A 1 ATOM 50 C CZ . ARG A 1 6 ? 3.692 -11.298 0.782 1.00 81.31 6 A 1 ATOM 51 N NH1 . ARG A 1 6 ? 4.820 -10.870 1.313 1.00 73.20 6 A 1 ATOM 52 N NH2 . ARG A 1 6 ? 3.700 -12.414 0.085 1.00 75.69 6 A 1 ATOM 53 N N . ARG A 1 7 ? -1.150 -6.629 -1.754 1.00 97.67 7 A 1 ATOM 54 C CA . ARG A 1 7 ? -1.309 -5.732 -2.899 1.00 97.66 7 A 1 ATOM 55 C C . ARG A 1 7 ? -2.179 -4.545 -2.512 1.00 98.01 7 A 1 ATOM 56 O O . ARG A 1 7 ? -1.879 -3.410 -2.869 1.00 97.79 7 A 1 ATOM 57 C CB . ARG A 1 7 ? -1.947 -6.471 -4.071 1.00 97.20 7 A 1 ATOM 58 C CG . ARG A 1 7 ? -0.950 -7.322 -4.836 1.00 90.59 7 A 1 ATOM 59 C CD . ARG A 1 7 ? -1.634 -7.957 -6.034 1.00 87.50 7 A 1 ATOM 60 N NE . ARG A 1 7 ? -0.709 -8.121 -7.157 1.00 81.94 7 A 1 ATOM 61 C CZ . ARG A 1 7 ? -1.074 -8.103 -8.432 1.00 79.74 7 A 1 ATOM 62 N NH1 . ARG A 1 7 ? -2.336 -7.965 -8.771 1.00 72.43 7 A 1 ATOM 63 N NH2 . ARG A 1 7 ? -0.163 -8.214 -9.382 1.00 72.81 7 A 1 ATOM 64 N N . ALA A 1 8 ? -3.238 -4.820 -1.787 1.00 98.25 8 A 1 ATOM 65 C CA . ALA A 1 8 ? -4.128 -3.766 -1.318 1.00 98.26 8 A 1 ATOM 66 C C . ALA A 1 8 ? -3.385 -2.818 -0.380 1.00 98.48 8 A 1 ATOM 67 O O . ALA A 1 8 ? -3.531 -1.603 -0.480 1.00 98.23 8 A 1 ATOM 68 C CB . ALA A 1 8 ? -5.333 -4.386 -0.622 1.00 97.90 8 A 1 ATOM 69 N N . LEU A 1 9 ? -2.568 -3.376 0.502 1.00 97.99 9 A 1 ATOM 70 C CA . LEU A 1 9 ? -1.765 -2.576 1.418 1.00 98.06 9 A 1 ATOM 71 C C . LEU A 1 9 ? -0.822 -1.660 0.647 1.00 98.29 9 A 1 ATOM 72 O O . LEU A 1 9 ? -0.680 -0.482 0.976 1.00 98.24 9 A 1 ATOM 73 C CB . LEU A 1 9 ? -0.968 -3.499 2.337 1.00 97.96 9 A 1 ATOM 74 C CG . LEU A 1 9 ? -0.185 -2.751 3.412 1.00 93.73 9 A 1 ATOM 75 C CD1 . LEU A 1 9 ? -1.113 -2.296 4.533 1.00 90.40 9 A 1 ATOM 76 C CD2 . LEU A 1 9 ? 0.911 -3.639 3.977 1.00 91.80 9 A 1 ATOM 77 N N . LEU A 1 10 ? -0.194 -2.205 -0.376 1.00 98.16 10 A 1 ATOM 78 C CA . LEU A 1 10 ? 0.721 -1.432 -1.210 1.00 98.23 10 A 1 ATOM 79 C C . LEU A 1 10 ? -0.017 -0.311 -1.932 1.00 98.38 10 A 1 ATOM 80 O O . LEU A 1 10 ? 0.477 0.812 -2.021 1.00 98.31 10 A 1 ATOM 81 C CB . LEU A 1 10 ? 1.399 -2.370 -2.212 1.00 98.10 10 A 1 ATOM 82 C CG . LEU A 1 10 ? 2.917 -2.417 -2.061 1.00 93.32 10 A 1 ATOM 83 C CD1 . LEU A 1 10 ? 3.484 -3.637 -2.776 1.00 90.90 10 A 1 ATOM 84 C CD2 . LEU A 1 10 ? 3.552 -1.155 -2.609 1.00 91.98 10 A 1 ATOM 85 N N . MET A 1 11 ? -1.193 -0.618 -2.433 1.00 98.29 11 A 1 ATOM 86 C CA . MET A 1 11 ? -2.009 0.378 -3.126 1.00 98.22 11 A 1 ATOM 87 C C . MET A 1 11 ? -2.451 1.483 -2.169 1.00 98.34 11 A 1 ATOM 88 O O . MET A 1 11 ? -2.413 2.661 -2.514 1.00 98.05 11 A 1 ATOM 89 C CB . MET A 1 11 ? -3.227 -0.287 -3.760 1.00 97.98 11 A 1 ATOM 90 C CG . MET A 1 11 ? -2.859 -1.076 -5.007 1.00 93.78 11 A 1 ATOM 91 S SD . MET A 1 11 ? -4.296 -1.630 -5.924 1.00 86.54 11 A 1 ATOM 92 C CE . MET A 1 11 ? -3.499 -2.285 -7.383 1.00 77.34 11 A 1 ATOM 93 N N . ILE A 1 12 ? -2.850 1.091 -0.978 1.00 98.51 12 A 1 ATOM 94 C CA . ILE A 1 12 ? -3.270 2.057 0.033 1.00 98.48 12 A 1 ATOM 95 C C . ILE A 1 12 ? -2.089 2.937 0.435 1.00 98.58 12 A 1 ATOM 96 O O . ILE A 1 12 ? -2.212 4.162 0.519 1.00 98.41 12 A 1 ATOM 97 C CB . ILE A 1 12 ? -3.849 1.334 1.264 1.00 98.33 12 A 1 ATOM 98 C CG1 . ILE A 1 12 ? -5.153 0.618 0.893 1.00 97.13 12 A 1 ATOM 99 C CG2 . ILE A 1 12 ? -4.114 2.334 2.392 1.00 96.71 12 A 1 ATOM 100 C CD1 . ILE A 1 12 ? -5.567 -0.427 1.913 1.00 93.38 12 A 1 ATOM 101 N N . LEU A 1 13 ? -0.956 2.306 0.664 1.00 98.50 13 A 1 ATOM 102 C CA . LEU A 1 13 ? 0.255 3.032 1.027 1.00 98.40 13 A 1 ATOM 103 C C . LEU A 1 13 ? 0.661 3.983 -0.091 1.00 98.53 13 A 1 ATOM 104 O O . LEU A 1 13 ? 1.004 5.139 0.161 1.00 98.42 13 A 1 ATOM 105 C CB . LEU A 1 13 ? 1.378 2.036 1.320 1.00 98.26 13 A 1 ATOM 106 C CG . LEU A 1 13 ? 2.678 2.685 1.801 1.00 94.36 13 A 1 ATOM 107 C CD1 . LEU A 1 13 ? 2.479 3.363 3.154 1.00 91.94 13 A 1 ATOM 108 C CD2 . LEU A 1 13 ? 3.772 1.635 1.914 1.00 93.32 13 A 1 ATOM 109 N N . ALA A 1 14 ? 0.609 3.505 -1.320 1.00 98.62 14 A 1 ATOM 110 C CA . ALA A 1 14 ? 0.944 4.335 -2.471 1.00 98.56 14 A 1 ATOM 111 C C . ALA A 1 14 ? -0.011 5.520 -2.578 1.00 98.59 14 A 1 ATOM 112 O O . ALA A 1 14 ? 0.410 6.638 -2.869 1.00 98.30 14 A 1 ATOM 113 C CB . ALA A 1 14 ? 0.895 3.493 -3.742 1.00 98.34 14 A 1 ATOM 114 N N . SER A 1 15 ? -1.277 5.275 -2.326 1.00 98.56 15 A 1 ATOM 115 C CA . SER A 1 15 ? -2.289 6.323 -2.389 1.00 98.47 15 A 1 ATOM 116 C C . SER A 1 15 ? -2.017 7.415 -1.358 1.00 98.54 15 A 1 ATOM 117 O O . SER A 1 15 ? -2.028 8.601 -1.685 1.00 98.09 15 A 1 ATOM 118 C CB . SER A 1 15 ? -3.672 5.720 -2.168 1.00 98.06 15 A 1 ATOM 119 O OG . SER A 1 15 ? -4.663 6.699 -2.345 1.00 87.76 15 A 1 ATOM 120 N N . GLN A 1 16 ? -1.748 7.022 -0.127 1.00 98.48 16 A 1 ATOM 121 C CA . GLN A 1 16 ? -1.478 7.993 0.927 1.00 98.46 16 A 1 ATOM 122 C C . GLN A 1 16 ? -0.169 8.734 0.679 1.00 98.59 16 A 1 ATOM 123 O O . GLN A 1 16 ? -0.081 9.935 0.929 1.00 98.13 16 A 1 ATOM 124 C CB . GLN A 1 16 ? -1.462 7.298 2.294 1.00 98.24 16 A 1 ATOM 125 C CG . GLN A 1 16 ? -0.329 6.302 2.458 1.00 95.64 16 A 1 ATOM 126 C CD . GLN A 1 16 ? -0.378 5.615 3.807 1.00 92.05 16 A 1 ATOM 127 O OE1 . GLN A 1 16 ? 0.225 6.059 4.768 1.00 86.54 16 A 1 ATOM 128 N NE2 . GLN A 1 16 ? -1.123 4.535 3.910 1.00 84.33 16 A 1 ATOM 129 N N . VAL A 1 17 ? 0.829 8.034 0.169 1.00 98.62 17 A 1 ATOM 130 C CA . VAL A 1 17 ? 2.117 8.654 -0.138 1.00 98.60 17 A 1 ATOM 131 C C . VAL A 1 17 ? 1.957 9.678 -1.252 1.00 98.62 17 A 1 ATOM 132 O O . VAL A 1 17 ? 2.465 10.797 -1.152 1.00 98.25 17 A 1 ATOM 133 C CB . VAL A 1 17 ? 3.162 7.593 -0.530 1.00 98.35 17 A 1 ATOM 134 C CG1 . VAL A 1 17 ? 4.427 8.243 -1.082 1.00 95.83 17 A 1 ATOM 135 C CG2 . VAL A 1 17 ? 3.520 6.739 0.675 1.00 96.22 17 A 1 ATOM 136 N N . VAL A 1 18 ? 1.245 9.302 -2.299 1.00 98.63 18 A 1 ATOM 137 C CA . VAL A 1 18 ? 0.998 10.214 -3.414 1.00 98.49 18 A 1 ATOM 138 C C . VAL A 1 18 ? 0.237 11.439 -2.927 1.00 98.49 18 A 1 ATOM 139 O O . VAL A 1 18 ? 0.554 12.567 -3.303 1.00 97.99 18 A 1 ATOM 140 C CB . VAL A 1 18 ? 0.220 9.510 -4.536 1.00 98.07 18 A 1 ATOM 141 C CG1 . VAL A 1 18 ? -0.264 10.505 -5.585 1.00 95.52 18 A 1 ATOM 142 C CG2 . VAL A 1 18 ? 1.098 8.464 -5.206 1.00 96.13 18 A 1 ATOM 143 N N . THR A 1 19 ? -0.745 11.213 -2.089 1.00 98.57 19 A 1 ATOM 144 C CA . THR A 1 19 ? -1.525 12.312 -1.530 1.00 98.49 19 A 1 ATOM 145 C C . THR A 1 19 ? -0.642 13.209 -0.668 1.00 98.55 19 A 1 ATOM 146 O O . THR A 1 19 ? -0.739 14.433 -0.753 1.00 98.06 19 A 1 ATOM 147 C CB . THR A 1 19 ? -2.687 11.771 -0.695 1.00 98.13 19 A 1 ATOM 148 O OG1 . THR A 1 19 ? -3.515 10.950 -1.506 1.00 93.72 19 A 1 ATOM 149 C CG2 . THR A 1 19 ? -3.542 12.910 -0.152 1.00 92.77 19 A 1 ATOM 150 N N . LEU A 1 20 ? 0.215 12.608 0.134 1.00 98.42 20 A 1 ATOM 151 C CA . LEU A 1 20 ? 1.117 13.361 1.000 1.00 98.32 20 A 1 ATOM 152 C C . LEU A 1 20 ? 2.110 14.181 0.186 1.00 98.39 20 A 1 ATOM 153 O O . LEU A 1 20 ? 2.412 15.325 0.532 1.00 97.77 20 A 1 ATOM 154 C CB . LEU A 1 20 ? 1.862 12.396 1.921 1.00 98.00 20 A 1 ATOM 155 C CG . LEU A 1 20 ? 2.762 13.086 2.943 1.00 94.04 20 A 1 ATOM 156 C CD1 . LEU A 1 20 ? 1.918 13.827 3.982 1.00 90.03 20 A 1 ATOM 157 C CD2 . LEU A 1 20 ? 3.651 12.067 3.637 1.00 90.25 20 A 1 ATOM 158 N N . VAL A 1 21 ? 2.617 13.599 -0.883 1.00 98.48 21 A 1 ATOM 159 C CA . VAL A 1 21 ? 3.600 14.277 -1.729 1.00 98.47 21 A 1 ATOM 160 C C . VAL A 1 21 ? 2.943 15.331 -2.612 1.00 98.51 21 A 1 ATOM 161 O O . VAL A 1 21 ? 3.495 16.415 -2.817 1.00 97.88 21 A 1 ATOM 162 C CB . VAL A 1 21 ? 4.364 13.261 -2.601 1.00 98.04 21 A 1 ATOM 163 C CG1 . VAL A 1 21 ? 5.298 13.964 -3.578 1.00 93.98 21 A 1 ATOM 164 C CG2 . VAL A 1 21 ? 5.178 12.320 -1.723 1.00 94.66 21 A 1 ATOM 165 N N . LYS A 1 22 ? 1.783 14.997 -3.142 1.00 98.15 22 A 1 ATOM 166 C CA . LYS A 1 22 ? 1.087 15.899 -4.052 1.00 97.86 22 A 1 ATOM 167 C C . LYS A 1 22 ? 0.288 16.957 -3.302 1.00 97.71 22 A 1 ATOM 168 O O . LYS A 1 22 ? 0.174 18.090 -3.764 1.00 96.12 22 A 1 ATOM 169 C CB . LYS A 1 22 ? 0.171 15.098 -4.982 1.00 97.10 22 A 1 ATOM 170 C CG . LYS A 1 22 ? -0.389 15.949 -6.106 1.00 90.80 22 A 1 ATOM 171 C CD . LYS A 1 22 ? -1.182 15.122 -7.103 1.00 88.41 22 A 1 ATOM 172 C CE . LYS A 1 22 ? -2.548 14.758 -6.548 1.00 82.58 22 A 1 ATOM 173 N NZ . LYS A 1 22 ? -3.428 14.201 -7.606 1.00 75.67 22 A 1 ATOM 174 N N . CYS A 1 23 ? -0.245 16.574 -2.165 1.00 96.41 23 A 1 ATOM 175 C CA . CYS A 1 23 ? -1.080 17.474 -1.378 1.00 95.19 23 A 1 ATOM 176 C C . CYS A 1 23 ? -0.246 18.631 -0.810 1.00 93.88 23 A 1 ATOM 177 O O . CYS A 1 23 ? -0.543 19.791 -1.125 1.00 89.60 23 A 1 ATOM 178 C CB . CYS A 1 23 ? -1.773 16.685 -0.262 1.00 91.24 23 A 1 ATOM 179 S SG . CYS A 1 23 ? -3.262 17.520 0.324 1.00 82.43 23 A 1 ATOM 180 O OXT . CYS A 1 23 ? 0.710 18.348 -0.081 1.00 80.20 23 A 1 #