# 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_spkb32774 # _entry.id spkb32774 # 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" "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" "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" "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 GLU 2 1 n LEU 3 1 n LYS 4 1 n TRP 5 1 n VAL 6 1 n SER 7 1 n CYS 8 1 n ARG 9 1 n LYS 10 1 n GLN 11 1 n SER 12 1 n LEU 13 1 n PHE 14 1 n LEU 15 1 n ILE 16 1 n SER 17 1 n CYS 18 1 n LEU 19 1 n ALA 20 1 n LEU 21 1 n LEU 22 1 n CYS 23 1 n LEU 24 1 n ALA 25 1 n SER 26 1 n LEU 27 # _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 @ 2025-07-11 12:38:04)" _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 81.20 _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 68.87 1 1 A GLU 2 2 69.01 1 2 A LEU 3 2 76.77 1 3 A LYS 4 2 68.95 1 4 A TRP 5 2 66.46 1 5 A VAL 6 2 75.27 1 6 A SER 7 2 80.03 1 7 A CYS 8 2 81.38 1 8 A ARG 9 2 70.58 1 9 A LYS 10 2 77.36 1 10 A GLN 11 2 78.57 1 11 A SER 12 2 85.43 1 12 A LEU 13 2 84.11 1 13 A PHE 14 2 83.15 1 14 A LEU 15 2 86.21 1 15 A ILE 16 2 88.41 1 16 A SER 17 2 89.67 1 17 A CYS 18 2 91.25 1 18 A LEU 19 2 88.77 1 19 A ALA 20 2 93.81 1 20 A LEU 21 2 89.63 1 21 A LEU 22 2 90.06 1 22 A CYS 23 2 93.03 1 23 A LEU 24 2 90.75 1 24 A ALA 25 2 93.26 1 25 A SER 26 2 88.51 1 26 A LEU 27 2 80.16 1 27 # _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 GLU . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n TRP . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n GLN . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n CYS . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n CYS . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n SER . 26 A 26 A 27 1 n LEU . 27 A 27 # _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 ? 3.804 3.696 18.879 1.00 71.00 1 A 1 ATOM 2 C CA . MET A 1 1 ? 4.304 4.071 17.535 1.00 76.95 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.004 3.015 16.466 1.00 78.48 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.956 3.362 15.298 1.00 73.14 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.801 4.405 17.586 1.00 71.66 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.045 5.775 18.247 1.00 65.81 1 A 1 ATOM 7 S SD . MET A 1 1 ? 7.791 6.253 18.235 1.00 60.10 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.726 7.805 19.131 1.00 53.80 1 A 1 ATOM 9 N N . GLU A 1 2 ? 3.721 1.778 16.840 1.00 71.58 2 A 1 ATOM 10 C CA . GLU A 1 2 ? 3.484 0.668 15.902 1.00 77.16 2 A 1 ATOM 11 C C . GLU A 1 2 ? 2.225 0.840 15.038 1.00 77.83 2 A 1 ATOM 12 O O . GLU A 1 2 ? 2.236 0.506 13.852 1.00 75.56 2 A 1 ATOM 13 C CB . GLU A 1 2 ? 3.415 -0.641 16.686 1.00 74.51 2 A 1 ATOM 14 C CG . GLU A 1 2 ? 4.751 -0.957 17.353 1.00 63.58 2 A 1 ATOM 15 C CD . GLU A 1 2 ? 4.774 -2.418 17.777 1.00 62.24 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? 5.301 -3.234 17.001 1.00 57.06 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? 4.225 -2.690 18.868 1.00 61.58 2 A 1 ATOM 18 N N . LEU A 1 3 ? 1.151 1.445 15.575 1.00 79.18 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -0.088 1.684 14.821 1.00 82.03 3 A 1 ATOM 20 C C . LEU A 1 3 ? 0.125 2.596 13.606 1.00 83.58 3 A 1 ATOM 21 O O . LEU A 1 3 ? -0.495 2.385 12.562 1.00 80.59 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -1.140 2.283 15.769 1.00 81.14 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -1.718 1.258 16.754 1.00 71.11 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -2.463 1.991 17.870 1.00 67.70 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -2.705 0.318 16.058 1.00 68.85 3 A 1 ATOM 26 N N . LYS A 1 4 ? 1.030 3.575 13.698 1.00 72.72 4 A 1 ATOM 27 C CA . LYS A 1 4 ? 1.374 4.469 12.581 1.00 75.18 4 A 1 ATOM 28 C C . LYS A 1 4 ? 2.038 3.711 11.426 1.00 75.82 4 A 1 ATOM 29 O O . LYS A 1 4 ? 1.744 3.981 10.265 1.00 76.21 4 A 1 ATOM 30 C CB . LYS A 1 4 ? 2.268 5.622 13.084 1.00 75.04 4 A 1 ATOM 31 C CG . LYS A 1 4 ? 1.595 6.989 12.915 1.00 67.21 4 A 1 ATOM 32 C CD . LYS A 1 4 ? 2.502 8.131 13.387 1.00 65.19 4 A 1 ATOM 33 C CE . LYS A 1 4 ? 1.816 9.485 13.160 1.00 59.75 4 A 1 ATOM 34 N NZ . LYS A 1 4 ? 2.664 10.635 13.570 1.00 53.43 4 A 1 ATOM 35 N N . TRP A 1 5 ? 2.895 2.737 11.732 1.00 74.15 5 A 1 ATOM 36 C CA . TRP A 1 5 ? 3.569 1.904 10.735 1.00 75.93 5 A 1 ATOM 37 C C . TRP A 1 5 ? 2.592 0.976 10.019 1.00 78.77 5 A 1 ATOM 38 O O . TRP A 1 5 ? 2.674 0.822 8.799 1.00 75.43 5 A 1 ATOM 39 C CB . TRP A 1 5 ? 4.685 1.108 11.419 1.00 75.13 5 A 1 ATOM 40 C CG . TRP A 1 5 ? 5.972 1.860 11.533 1.00 65.05 5 A 1 ATOM 41 C CD1 . TRP A 1 5 ? 6.351 2.658 12.549 1.00 60.35 5 A 1 ATOM 42 C CD2 . TRP A 1 5 ? 7.067 1.881 10.568 1.00 68.57 5 A 1 ATOM 43 N NE1 . TRP A 1 5 ? 7.614 3.178 12.281 1.00 59.60 5 A 1 ATOM 44 C CE2 . TRP A 1 5 ? 8.093 2.720 11.078 1.00 65.77 5 A 1 ATOM 45 C CE3 . TRP A 1 5 ? 7.289 1.256 9.325 1.00 57.76 5 A 1 ATOM 46 C CZ2 . TRP A 1 5 ? 9.297 2.937 10.379 1.00 60.64 5 A 1 ATOM 47 C CZ3 . TRP A 1 5 ? 8.488 1.472 8.629 1.00 56.99 5 A 1 ATOM 48 C CH2 . TRP A 1 5 ? 9.487 2.307 9.150 1.00 56.32 5 A 1 ATOM 49 N N . VAL A 1 6 ? 1.620 0.412 10.740 1.00 76.39 6 A 1 ATOM 50 C CA . VAL A 1 6 ? 0.577 -0.440 10.152 1.00 78.20 6 A 1 ATOM 51 C C . VAL A 1 6 ? -0.318 0.362 9.201 1.00 80.20 6 A 1 ATOM 52 O O . VAL A 1 6 ? -0.593 -0.097 8.092 1.00 78.75 6 A 1 ATOM 53 C CB . VAL A 1 6 ? -0.247 -1.122 11.255 1.00 76.49 6 A 1 ATOM 54 C CG1 . VAL A 1 6 ? -1.388 -1.958 10.671 1.00 66.92 6 A 1 ATOM 55 C CG2 . VAL A 1 6 ? 0.633 -2.057 12.087 1.00 69.97 6 A 1 ATOM 56 N N . SER A 1 7 ? -0.725 1.576 9.576 1.00 80.36 7 A 1 ATOM 57 C CA . SER A 1 7 ? -1.507 2.461 8.712 1.00 82.65 7 A 1 ATOM 58 C C . SER A 1 7 ? -0.722 2.899 7.474 1.00 83.14 7 A 1 ATOM 59 O O . SER A 1 7 ? -1.253 2.839 6.367 1.00 82.73 7 A 1 ATOM 60 C CB . SER A 1 7 ? -1.973 3.692 9.488 1.00 82.21 7 A 1 ATOM 61 O OG . SER A 1 7 ? -2.909 3.313 10.475 1.00 69.09 7 A 1 ATOM 62 N N . CYS A 1 8 ? 0.544 3.268 7.630 1.00 84.25 8 A 1 ATOM 63 C CA . CYS A 1 8 ? 1.406 3.657 6.513 1.00 84.63 8 A 1 ATOM 64 C C . CYS A 1 8 ? 1.634 2.488 5.538 1.00 85.37 8 A 1 ATOM 65 O O . CYS A 1 8 ? 1.554 2.660 4.322 1.00 82.74 8 A 1 ATOM 66 C CB . CYS A 1 8 ? 2.725 4.190 7.090 1.00 81.73 8 A 1 ATOM 67 S SG . CYS A 1 8 ? 3.668 5.037 5.803 1.00 69.54 8 A 1 ATOM 68 N N . ARG A 1 9 ? 1.827 1.270 6.062 1.00 80.00 9 A 1 ATOM 69 C CA . ARG A 1 9 ? 1.974 0.058 5.246 1.00 83.39 9 A 1 ATOM 70 C C . ARG A 1 9 ? 0.687 -0.262 4.477 1.00 85.57 9 A 1 ATOM 71 O O . ARG A 1 9 ? 0.768 -0.564 3.290 1.00 84.55 9 A 1 ATOM 72 C CB . ARG A 1 9 ? 2.436 -1.103 6.142 1.00 81.73 9 A 1 ATOM 73 C CG . ARG A 1 9 ? 2.775 -2.344 5.307 1.00 70.79 9 A 1 ATOM 74 C CD . ARG A 1 9 ? 3.223 -3.507 6.186 1.00 69.06 9 A 1 ATOM 75 N NE . ARG A 1 9 ? 4.623 -3.366 6.632 1.00 61.23 9 A 1 ATOM 76 C CZ . ARG A 1 9 ? 5.281 -4.239 7.377 1.00 56.85 9 A 1 ATOM 77 N NH1 . ARG A 1 9 ? 4.710 -5.316 7.847 1.00 52.48 9 A 1 ATOM 78 N NH2 . ARG A 1 9 ? 6.537 -4.056 7.655 1.00 50.75 9 A 1 ATOM 79 N N . LYS A 1 10 ? -0.494 -0.148 5.101 1.00 82.93 10 A 1 ATOM 80 C CA . LYS A 1 10 ? -1.784 -0.337 4.422 1.00 85.89 10 A 1 ATOM 81 C C . LYS A 1 10 ? -1.991 0.683 3.304 1.00 87.33 10 A 1 ATOM 82 O O . LYS A 1 10 ? -2.404 0.307 2.211 1.00 86.31 10 A 1 ATOM 83 C CB . LYS A 1 10 ? -2.938 -0.260 5.423 1.00 84.70 10 A 1 ATOM 84 C CG . LYS A 1 10 ? -3.123 -1.572 6.191 1.00 76.35 10 A 1 ATOM 85 C CD . LYS A 1 10 ? -4.358 -1.484 7.088 1.00 71.73 10 A 1 ATOM 86 C CE . LYS A 1 10 ? -4.632 -2.827 7.760 1.00 63.76 10 A 1 ATOM 87 N NZ . LYS A 1 10 ? -5.897 -2.810 8.532 1.00 57.22 10 A 1 ATOM 88 N N . GLN A 1 11 ? -1.662 1.948 3.548 1.00 87.32 11 A 1 ATOM 89 C CA . GLN A 1 11 ? -1.781 3.007 2.548 1.00 88.52 11 A 1 ATOM 90 C C . GLN A 1 11 ? -0.812 2.791 1.378 1.00 90.45 11 A 1 ATOM 91 O O . GLN A 1 11 ? -1.209 2.943 0.220 1.00 87.39 11 A 1 ATOM 92 C CB . GLN A 1 11 ? -1.556 4.348 3.250 1.00 86.87 11 A 1 ATOM 93 C CG . GLN A 1 11 ? -1.956 5.524 2.360 1.00 74.09 11 A 1 ATOM 94 C CD . GLN A 1 11 ? -1.859 6.860 3.090 1.00 68.57 11 A 1 ATOM 95 O OE1 . GLN A 1 11 ? -1.415 6.971 4.224 1.00 64.46 11 A 1 ATOM 96 N NE2 . GLN A 1 11 ? -2.276 7.936 2.457 1.00 59.46 11 A 1 ATOM 97 N N . SER A 1 12 ? 0.419 2.370 1.650 1.00 86.07 12 A 1 ATOM 98 C CA . SER A 1 12 ? 1.400 2.047 0.614 1.00 88.30 12 A 1 ATOM 99 C C . SER A 1 12 ? 0.952 0.856 -0.241 1.00 89.57 12 A 1 ATOM 100 O O . SER A 1 12 ? 0.999 0.931 -1.465 1.00 87.93 12 A 1 ATOM 101 C CB . SER A 1 12 ? 2.755 1.770 1.263 1.00 86.84 12 A 1 ATOM 102 O OG . SER A 1 12 ? 3.748 1.620 0.276 1.00 73.85 12 A 1 ATOM 103 N N . LEU A 1 13 ? 0.438 -0.212 0.379 1.00 87.34 13 A 1 ATOM 104 C CA . LEU A 1 13 ? -0.103 -1.368 -0.342 1.00 88.80 13 A 1 ATOM 105 C C . LEU A 1 13 ? -1.314 -0.987 -1.198 1.00 90.69 13 A 1 ATOM 106 O O . LEU A 1 13 ? -1.430 -1.456 -2.329 1.00 89.32 13 A 1 ATOM 107 C CB . LEU A 1 13 ? -0.489 -2.462 0.661 1.00 87.93 13 A 1 ATOM 108 C CG . LEU A 1 13 ? 0.709 -3.200 1.271 1.00 79.78 13 A 1 ATOM 109 C CD1 . LEU A 1 13 ? 0.227 -4.090 2.415 1.00 73.85 13 A 1 ATOM 110 C CD2 . LEU A 1 13 ? 1.417 -4.087 0.243 1.00 75.15 13 A 1 ATOM 111 N N . PHE A 1 14 ? -2.195 -0.116 -0.693 1.00 84.61 14 A 1 ATOM 112 C CA . PHE A 1 14 ? -3.338 0.386 -1.448 1.00 86.14 14 A 1 ATOM 113 C C . PHE A 1 14 ? -2.892 1.174 -2.682 1.00 88.19 14 A 1 ATOM 114 O O . PHE A 1 14 ? -3.380 0.907 -3.779 1.00 87.55 14 A 1 ATOM 115 C CB . PHE A 1 14 ? -4.212 1.235 -0.527 1.00 86.13 14 A 1 ATOM 116 C CG . PHE A 1 14 ? -5.441 1.774 -1.218 1.00 83.27 14 A 1 ATOM 117 C CD1 . PHE A 1 14 ? -5.466 3.100 -1.690 1.00 80.30 14 A 1 ATOM 118 C CD2 . PHE A 1 14 ? -6.549 0.939 -1.423 1.00 81.12 14 A 1 ATOM 119 C CE1 . PHE A 1 14 ? -6.595 3.590 -2.355 1.00 78.18 14 A 1 ATOM 120 C CE2 . PHE A 1 14 ? -7.683 1.429 -2.093 1.00 79.65 14 A 1 ATOM 121 C CZ . PHE A 1 14 ? -7.703 2.752 -2.555 1.00 79.52 14 A 1 ATOM 122 N N . LEU A 1 15 ? -1.916 2.076 -2.538 1.00 89.79 15 A 1 ATOM 123 C CA . LEU A 1 15 ? -1.377 2.846 -3.658 1.00 90.46 15 A 1 ATOM 124 C C . LEU A 1 15 ? -0.724 1.948 -4.713 1.00 91.77 15 A 1 ATOM 125 O O . LEU A 1 15 ? -0.971 2.135 -5.904 1.00 91.76 15 A 1 ATOM 126 C CB . LEU A 1 15 ? -0.367 3.875 -3.130 1.00 90.21 15 A 1 ATOM 127 C CG . LEU A 1 15 ? -1.009 5.071 -2.417 1.00 80.96 15 A 1 ATOM 128 C CD1 . LEU A 1 15 ? 0.081 5.889 -1.718 1.00 76.29 15 A 1 ATOM 129 C CD2 . LEU A 1 15 ? -1.752 5.986 -3.391 1.00 78.42 15 A 1 ATOM 130 N N . ILE A 1 16 ? 0.055 0.953 -4.295 1.00 89.52 16 A 1 ATOM 131 C CA . ILE A 1 16 ? 0.672 -0.022 -5.207 1.00 89.43 16 A 1 ATOM 132 C C . ILE A 1 16 ? -0.409 -0.825 -5.940 1.00 90.79 16 A 1 ATOM 133 O O . ILE A 1 16 ? -0.312 -1.021 -7.152 1.00 90.24 16 A 1 ATOM 134 C CB . ILE A 1 16 ? 1.638 -0.944 -4.430 1.00 90.10 16 A 1 ATOM 135 C CG1 . ILE A 1 16 ? 2.862 -0.147 -3.917 1.00 87.62 16 A 1 ATOM 136 C CG2 . ILE A 1 16 ? 2.129 -2.108 -5.315 1.00 87.10 16 A 1 ATOM 137 C CD1 . ILE A 1 16 ? 3.643 -0.874 -2.818 1.00 82.50 16 A 1 ATOM 138 N N . SER A 1 17 ? -1.456 -1.255 -5.237 1.00 91.15 17 A 1 ATOM 139 C CA . SER A 1 17 ? -2.575 -1.982 -5.836 1.00 91.45 17 A 1 ATOM 140 C C . SER A 1 17 ? -3.342 -1.117 -6.843 1.00 92.62 17 A 1 ATOM 141 O O . SER A 1 17 ? -3.651 -1.588 -7.933 1.00 92.00 17 A 1 ATOM 142 C CB . SER A 1 17 ? -3.509 -2.485 -4.737 1.00 90.74 17 A 1 ATOM 143 O OG . SER A 1 17 ? -4.467 -3.369 -5.280 1.00 80.04 17 A 1 ATOM 144 N N . CYS A 1 18 ? -3.601 0.154 -6.534 1.00 91.60 18 A 1 ATOM 145 C CA . CYS A 1 18 ? -4.230 1.091 -7.461 1.00 92.33 18 A 1 ATOM 146 C C . CYS A 1 18 ? -3.375 1.317 -8.714 1.00 93.56 18 A 1 ATOM 147 O O . CYS A 1 18 ? -3.907 1.289 -9.816 1.00 92.35 18 A 1 ATOM 148 C CB . CYS A 1 18 ? -4.491 2.423 -6.748 1.00 91.35 18 A 1 ATOM 149 S SG . CYS A 1 18 ? -5.920 2.273 -5.643 1.00 86.30 18 A 1 ATOM 150 N N . LEU A 1 19 ? -2.065 1.492 -8.557 1.00 92.22 19 A 1 ATOM 151 C CA . LEU A 1 19 ? -1.137 1.621 -9.684 1.00 91.75 19 A 1 ATOM 152 C C . LEU A 1 19 ? -1.130 0.371 -10.558 1.00 93.21 19 A 1 ATOM 153 O O . LEU A 1 19 ? -1.216 0.485 -11.782 1.00 93.01 19 A 1 ATOM 154 C CB . LEU A 1 19 ? 0.272 1.926 -9.137 1.00 91.26 19 A 1 ATOM 155 C CG . LEU A 1 19 ? 0.648 3.404 -9.303 1.00 85.39 19 A 1 ATOM 156 C CD1 . LEU A 1 19 ? 1.524 3.878 -8.149 1.00 80.95 19 A 1 ATOM 157 C CD2 . LEU A 1 19 ? 1.408 3.614 -10.608 1.00 82.38 19 A 1 ATOM 158 N N . ALA A 1 20 ? -1.086 -0.819 -9.944 1.00 93.65 20 A 1 ATOM 159 C CA . ALA A 1 20 ? -1.125 -2.082 -10.674 1.00 93.97 20 A 1 ATOM 160 C C . ALA A 1 20 ? -2.431 -2.244 -11.471 1.00 95.01 20 A 1 ATOM 161 O O . ALA A 1 20 ? -2.385 -2.627 -12.636 1.00 93.33 20 A 1 ATOM 162 C CB . ALA A 1 20 ? -0.917 -3.226 -9.674 1.00 93.10 20 A 1 ATOM 163 N N . LEU A 1 21 ? -3.579 -1.899 -10.880 1.00 94.14 21 A 1 ATOM 164 C CA . LEU A 1 21 ? -4.878 -1.929 -11.559 1.00 93.65 21 A 1 ATOM 165 C C . LEU A 1 21 ? -4.946 -0.911 -12.701 1.00 94.12 21 A 1 ATOM 166 O O . LEU A 1 21 ? -5.468 -1.232 -13.770 1.00 93.11 21 A 1 ATOM 167 C CB . LEU A 1 21 ? -5.996 -1.661 -10.541 1.00 93.14 21 A 1 ATOM 168 C CG . LEU A 1 21 ? -6.279 -2.832 -9.587 1.00 84.68 21 A 1 ATOM 169 C CD1 . LEU A 1 21 ? -7.201 -2.361 -8.463 1.00 80.50 21 A 1 ATOM 170 C CD2 . LEU A 1 21 ? -6.953 -3.998 -10.306 1.00 83.72 21 A 1 ATOM 171 N N . LEU A 1 22 ? -4.387 0.295 -12.512 1.00 94.51 22 A 1 ATOM 172 C CA . LEU A 1 22 ? -4.326 1.320 -13.548 1.00 93.48 22 A 1 ATOM 173 C C . LEU A 1 22 ? -3.465 0.864 -14.729 1.00 94.12 22 A 1 ATOM 174 O O . LEU A 1 22 ? -3.871 1.018 -15.880 1.00 93.57 22 A 1 ATOM 175 C CB . LEU A 1 22 ? -3.782 2.620 -12.936 1.00 92.74 22 A 1 ATOM 176 C CG . LEU A 1 22 ? -4.224 3.861 -13.729 1.00 87.09 22 A 1 ATOM 177 C CD1 . LEU A 1 22 ? -5.553 4.398 -13.179 1.00 81.56 22 A 1 ATOM 178 C CD2 . LEU A 1 22 ? -3.181 4.964 -13.625 1.00 83.40 22 A 1 ATOM 179 N N . CYS A 1 23 ? -2.306 0.254 -14.453 1.00 94.01 23 A 1 ATOM 180 C CA . CYS A 1 23 ? -1.451 -0.332 -15.482 1.00 94.30 23 A 1 ATOM 181 C C . CYS A 1 23 ? -2.164 -1.460 -16.230 1.00 94.90 23 A 1 ATOM 182 O O . CYS A 1 23 ? -2.102 -1.502 -17.452 1.00 93.88 23 A 1 ATOM 183 C CB . CYS A 1 23 ? -0.153 -0.845 -14.846 1.00 93.05 23 A 1 ATOM 184 S SG . CYS A 1 23 ? 0.929 0.525 -14.367 1.00 88.03 23 A 1 ATOM 185 N N . LEU A 1 24 ? -2.875 -2.339 -15.521 1.00 94.75 24 A 1 ATOM 186 C CA . LEU A 1 24 ? -3.640 -3.425 -16.138 1.00 94.36 24 A 1 ATOM 187 C C . LEU A 1 24 ? -4.773 -2.900 -17.027 1.00 94.55 24 A 1 ATOM 188 O O . LEU A 1 24 ? -5.022 -3.458 -18.091 1.00 94.01 24 A 1 ATOM 189 C CB . LEU A 1 24 ? -4.206 -4.346 -15.040 1.00 93.71 24 A 1 ATOM 190 C CG . LEU A 1 24 ? -4.034 -5.832 -15.387 1.00 88.40 24 A 1 ATOM 191 C CD1 . LEU A 1 24 ? -2.716 -6.361 -14.810 1.00 82.30 24 A 1 ATOM 192 C CD2 . LEU A 1 24 ? -5.175 -6.659 -14.811 1.00 83.92 24 A 1 ATOM 193 N N . ALA A 1 25 ? -5.445 -1.819 -16.609 1.00 94.36 25 A 1 ATOM 194 C CA . ALA A 1 25 ? -6.527 -1.201 -17.374 1.00 93.26 25 A 1 ATOM 195 C C . ALA A 1 25 ? -6.027 -0.425 -18.607 1.00 93.32 25 A 1 ATOM 196 O O . ALA A 1 25 ? -6.815 -0.162 -19.516 1.00 92.58 25 A 1 ATOM 197 C CB . ALA A 1 25 ? -7.321 -0.294 -16.426 1.00 92.79 25 A 1 ATOM 198 N N . SER A 1 26 ? -4.745 -0.037 -18.635 1.00 93.28 26 A 1 ATOM 199 C CA . SER A 1 26 ? -4.130 0.681 -19.756 1.00 91.49 26 A 1 ATOM 200 C C . SER A 1 26 ? -3.485 -0.234 -20.801 1.00 89.33 26 A 1 ATOM 201 O O . SER A 1 26 ? -3.049 0.268 -21.840 1.00 85.99 26 A 1 ATOM 202 C CB . SER A 1 26 ? -3.130 1.716 -19.233 1.00 89.94 26 A 1 ATOM 203 O OG . SER A 1 26 ? -2.065 1.136 -18.515 1.00 81.03 26 A 1 ATOM 204 N N . LEU A 1 27 ? -3.420 -1.538 -20.533 1.00 91.48 27 A 1 ATOM 205 C CA . LEU A 1 27 ? -2.985 -2.570 -21.482 1.00 89.65 27 A 1 ATOM 206 C C . LEU A 1 27 ? -4.132 -3.002 -22.400 1.00 85.89 27 A 1 ATOM 207 O O . LEU A 1 27 ? -3.880 -3.149 -23.612 1.00 81.72 27 A 1 ATOM 208 C CB . LEU A 1 27 ? -2.420 -3.772 -20.685 1.00 84.47 27 A 1 ATOM 209 C CG . LEU A 1 27 ? -0.925 -3.638 -20.383 1.00 74.59 27 A 1 ATOM 210 C CD1 . LEU A 1 27 ? -0.535 -4.548 -19.210 1.00 72.43 27 A 1 ATOM 211 C CD2 . LEU A 1 27 ? -0.110 -4.073 -21.596 1.00 70.90 27 A 1 ATOM 212 O OXT . LEU A 1 27 ? -5.257 -3.195 -21.884 1.00 70.29 27 A 1 #