# 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_spkb35971 # _entry.id spkb35971 # 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 "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" "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" "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 MET 2 1 n PHE 3 1 n ARG 4 1 n LEU 5 1 n THR 6 1 n SER 7 1 n VAL 8 1 n SER 9 1 n CYS 10 1 n PHE 11 1 n LEU 12 1 n LEU 13 1 n VAL 14 1 n ILE 15 1 n VAL 16 1 n CYS 17 1 n LEU 18 1 n ASN 19 1 n LEU 20 1 n PHE 21 1 n GLN 22 1 n VAL 23 1 n VAL 24 1 n LEU 25 1 n THR 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 @ 2025-07-02 13:25:30)" _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 86.12 _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 66.70 1 1 A MET 2 2 68.97 1 2 A PHE 3 2 67.24 1 3 A ARG 4 2 72.05 1 4 A LEU 5 2 74.68 1 5 A THR 6 2 81.80 1 6 A SER 7 2 86.26 1 7 A VAL 8 2 88.19 1 8 A SER 9 2 88.44 1 9 A CYS 10 2 90.40 1 10 A PHE 11 2 89.56 1 11 A LEU 12 2 90.05 1 12 A LEU 13 2 90.82 1 13 A VAL 14 2 93.94 1 14 A ILE 15 2 94.10 1 15 A VAL 16 2 95.78 1 16 A CYS 17 2 94.57 1 17 A LEU 18 2 93.61 1 18 A ASN 19 2 92.48 1 19 A LEU 20 2 92.72 1 20 A PHE 21 2 91.45 1 21 A GLN 22 2 89.01 1 22 A VAL 23 2 94.12 1 23 A VAL 24 2 93.98 1 24 A LEU 25 2 89.70 1 25 A THR 26 2 84.82 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 MET . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n PHE . 21 A 21 A 22 1 n GLN . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n THR . 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 ? -16.180 -3.362 16.719 1.00 69.68 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.499 -4.312 15.811 1.00 73.56 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.740 -3.576 14.694 1.00 75.25 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.055 -3.750 13.528 1.00 73.05 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.523 -5.289 15.204 1.00 69.89 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.122 -6.263 16.226 1.00 62.55 1 A 1 ATOM 7 S SD . MET A 1 1 ? -18.285 -7.397 15.422 1.00 57.49 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.676 -8.500 16.791 1.00 52.10 1 A 1 ATOM 9 N N . MET A 1 2 ? -13.774 -2.733 15.017 1.00 71.72 2 A 1 ATOM 10 C CA . MET A 1 2 ? -13.058 -1.897 14.035 1.00 74.83 2 A 1 ATOM 11 C C . MET A 1 2 ? -11.615 -2.357 13.753 1.00 75.73 2 A 1 ATOM 12 O O . MET A 1 2 ? -10.951 -1.781 12.903 1.00 75.44 2 A 1 ATOM 13 C CB . MET A 1 2 ? -13.111 -0.425 14.472 1.00 72.38 2 A 1 ATOM 14 C CG . MET A 1 2 ? -14.474 0.203 14.140 1.00 65.52 2 A 1 ATOM 15 S SD . MET A 1 2 ? -14.575 1.952 14.581 1.00 60.90 2 A 1 ATOM 16 C CE . MET A 1 2 ? -15.947 2.476 13.526 1.00 55.21 2 A 1 ATOM 17 N N . PHE A 1 3 ? -11.147 -3.419 14.398 1.00 74.88 3 A 1 ATOM 18 C CA . PHE A 1 3 ? -9.758 -3.884 14.253 1.00 75.50 3 A 1 ATOM 19 C C . PHE A 1 3 ? -9.409 -4.370 12.836 1.00 77.66 3 A 1 ATOM 20 O O . PHE A 1 3 ? -8.248 -4.304 12.430 1.00 76.80 3 A 1 ATOM 21 C CB . PHE A 1 3 ? -9.497 -4.991 15.275 1.00 73.89 3 A 1 ATOM 22 C CG . PHE A 1 3 ? -9.521 -4.489 16.697 1.00 66.45 3 A 1 ATOM 23 C CD1 . PHE A 1 3 ? -8.419 -3.784 17.202 1.00 63.05 3 A 1 ATOM 24 C CD2 . PHE A 1 3 ? -10.639 -4.706 17.514 1.00 61.73 3 A 1 ATOM 25 C CE1 . PHE A 1 3 ? -8.430 -3.302 18.514 1.00 56.18 3 A 1 ATOM 26 C CE2 . PHE A 1 3 ? -10.657 -4.222 18.830 1.00 58.40 3 A 1 ATOM 27 C CZ . PHE A 1 3 ? -9.548 -3.519 19.329 1.00 55.05 3 A 1 ATOM 28 N N . ARG A 1 4 ? -10.412 -4.825 12.052 1.00 80.62 4 A 1 ATOM 29 C CA . ARG A 1 4 ? -10.178 -5.256 10.661 1.00 83.23 4 A 1 ATOM 30 C C . ARG A 1 4 ? -9.875 -4.076 9.733 1.00 83.18 4 A 1 ATOM 31 O O . ARG A 1 4 ? -9.113 -4.238 8.788 1.00 80.88 4 A 1 ATOM 32 C CB . ARG A 1 4 ? -11.375 -6.072 10.139 1.00 82.04 4 A 1 ATOM 33 C CG . ARG A 1 4 ? -11.503 -7.425 10.852 1.00 72.94 4 A 1 ATOM 34 C CD . ARG A 1 4 ? -12.551 -8.303 10.159 1.00 71.37 4 A 1 ATOM 35 N NE . ARG A 1 4 ? -12.695 -9.616 10.821 1.00 66.29 4 A 1 ATOM 36 C CZ . ARG A 1 4 ? -13.478 -10.602 10.413 1.00 60.33 4 A 1 ATOM 37 N NH1 . ARG A 1 4 ? -14.219 -10.498 9.340 1.00 57.06 4 A 1 ATOM 38 N NH2 . ARG A 1 4 ? -13.531 -11.718 11.081 1.00 54.64 4 A 1 ATOM 39 N N . LEU A 1 5 ? -10.413 -2.904 9.995 1.00 77.53 5 A 1 ATOM 40 C CA . LEU A 1 5 ? -10.193 -1.705 9.192 1.00 78.52 5 A 1 ATOM 41 C C . LEU A 1 5 ? -8.736 -1.239 9.292 1.00 80.33 5 A 1 ATOM 42 O O . LEU A 1 5 ? -8.139 -0.875 8.280 1.00 79.69 5 A 1 ATOM 43 C CB . LEU A 1 5 ? -11.171 -0.612 9.651 1.00 77.01 5 A 1 ATOM 44 C CG . LEU A 1 5 ? -11.190 0.613 8.723 1.00 70.21 5 A 1 ATOM 45 C CD1 . LEU A 1 5 ? -11.877 0.313 7.395 1.00 66.85 5 A 1 ATOM 46 C CD2 . LEU A 1 5 ? -11.940 1.754 9.410 1.00 67.31 5 A 1 ATOM 47 N N . THR A 1 6 ? -8.151 -1.310 10.474 1.00 85.11 6 A 1 ATOM 48 C CA . THR A 1 6 ? -6.754 -0.918 10.701 1.00 85.82 6 A 1 ATOM 49 C C . THR A 1 6 ? -5.787 -1.783 9.898 1.00 86.83 6 A 1 ATOM 50 O O . THR A 1 6 ? -4.849 -1.259 9.299 1.00 85.04 6 A 1 ATOM 51 C CB . THR A 1 6 ? -6.413 -1.010 12.192 1.00 84.44 6 A 1 ATOM 52 O OG1 . THR A 1 6 ? -7.427 -0.395 12.959 1.00 73.75 6 A 1 ATOM 53 C CG2 . THR A 1 6 ? -5.102 -0.313 12.520 1.00 71.62 6 A 1 ATOM 54 N N . SER A 1 7 ? -6.031 -3.081 9.826 1.00 87.75 7 A 1 ATOM 55 C CA . SER A 1 7 ? -5.200 -4.001 9.043 1.00 88.88 7 A 1 ATOM 56 C C . SER A 1 7 ? -5.292 -3.710 7.539 1.00 89.73 7 A 1 ATOM 57 O O . SER A 1 7 ? -4.269 -3.613 6.868 1.00 89.10 7 A 1 ATOM 58 C CB . SER A 1 7 ? -5.610 -5.443 9.339 1.00 86.73 7 A 1 ATOM 59 O OG . SER A 1 7 ? -4.733 -6.338 8.703 1.00 75.35 7 A 1 ATOM 60 N N . VAL A 1 8 ? -6.499 -3.497 7.022 1.00 89.88 8 A 1 ATOM 61 C CA . VAL A 1 8 ? -6.719 -3.157 5.607 1.00 90.59 8 A 1 ATOM 62 C C . VAL A 1 8 ? -6.128 -1.784 5.275 1.00 91.78 8 A 1 ATOM 63 O O . VAL A 1 8 ? -5.451 -1.642 4.260 1.00 91.02 8 A 1 ATOM 64 C CB . VAL A 1 8 ? -8.218 -3.218 5.259 1.00 89.41 8 A 1 ATOM 65 C CG1 . VAL A 1 8 ? -8.502 -2.748 3.831 1.00 81.79 8 A 1 ATOM 66 C CG2 . VAL A 1 8 ? -8.738 -4.650 5.390 1.00 82.87 8 A 1 ATOM 67 N N . SER A 1 9 ? -6.319 -0.805 6.133 1.00 89.75 9 A 1 ATOM 68 C CA . SER A 1 9 ? -5.758 0.535 5.959 1.00 90.39 9 A 1 ATOM 69 C C . SER A 1 9 ? -4.225 0.511 5.950 1.00 91.54 9 A 1 ATOM 70 O O . SER A 1 9 ? -3.610 1.125 5.081 1.00 91.34 9 A 1 ATOM 71 C CB . SER A 1 9 ? -6.270 1.451 7.071 1.00 88.98 9 A 1 ATOM 72 O OG . SER A 1 9 ? -5.801 2.766 6.874 1.00 78.63 9 A 1 ATOM 73 N N . CYS A 1 10 ? -3.622 -0.236 6.849 1.00 91.18 10 A 1 ATOM 74 C CA . CYS A 1 10 ? -2.170 -0.412 6.887 1.00 92.57 10 A 1 ATOM 75 C C . CYS A 1 10 ? -1.658 -1.099 5.611 1.00 93.94 10 A 1 ATOM 76 O O . CYS A 1 10 ? -0.679 -0.649 5.020 1.00 92.90 10 A 1 ATOM 77 C CB . CYS A 1 10 ? -1.810 -1.211 8.144 1.00 90.70 10 A 1 ATOM 78 S SG . CYS A 1 10 ? -0.012 -1.285 8.336 1.00 81.10 10 A 1 ATOM 79 N N . PHE A 1 11 ? -2.348 -2.132 5.143 1.00 91.35 11 A 1 ATOM 80 C CA . PHE A 1 11 ? -1.987 -2.838 3.915 1.00 92.79 11 A 1 ATOM 81 C C . PHE A 1 11 ? -2.076 -1.930 2.678 1.00 94.44 11 A 1 ATOM 82 O O . PHE A 1 11 ? -1.146 -1.899 1.870 1.00 94.33 11 A 1 ATOM 83 C CB . PHE A 1 11 ? -2.889 -4.066 3.781 1.00 92.52 11 A 1 ATOM 84 C CG . PHE A 1 11 ? -2.462 -4.988 2.667 1.00 89.87 11 A 1 ATOM 85 C CD1 . PHE A 1 11 ? -3.183 -5.035 1.468 1.00 86.93 11 A 1 ATOM 86 C CD2 . PHE A 1 11 ? -1.328 -5.798 2.837 1.00 87.72 11 A 1 ATOM 87 C CE1 . PHE A 1 11 ? -2.781 -5.897 0.440 1.00 84.40 11 A 1 ATOM 88 C CE2 . PHE A 1 11 ? -0.923 -6.658 1.802 1.00 85.42 11 A 1 ATOM 89 C CZ . PHE A 1 11 ? -1.650 -6.704 0.608 1.00 85.40 11 A 1 ATOM 90 N N . LEU A 1 12 ? -3.140 -1.137 2.571 1.00 92.72 12 A 1 ATOM 91 C CA . LEU A 1 12 ? -3.291 -0.155 1.497 1.00 93.31 12 A 1 ATOM 92 C C . LEU A 1 12 ? -2.190 0.909 1.548 1.00 94.59 12 A 1 ATOM 93 O O . LEU A 1 12 ? -1.623 1.247 0.510 1.00 94.53 12 A 1 ATOM 94 C CB . LEU A 1 12 ? -4.674 0.504 1.596 1.00 92.66 12 A 1 ATOM 95 C CG . LEU A 1 12 ? -5.834 -0.406 1.171 1.00 85.00 12 A 1 ATOM 96 C CD1 . LEU A 1 12 ? -7.158 0.272 1.526 1.00 82.60 12 A 1 ATOM 97 C CD2 . LEU A 1 12 ? -5.827 -0.683 -0.329 1.00 84.99 12 A 1 ATOM 98 N N . LEU A 1 13 ? -1.854 1.387 2.728 1.00 94.04 13 A 1 ATOM 99 C CA . LEU A 1 13 ? -0.768 2.345 2.908 1.00 94.33 13 A 1 ATOM 100 C C . LEU A 1 13 ? 0.566 1.764 2.430 1.00 95.39 13 A 1 ATOM 101 O O . LEU A 1 13 ? 1.301 2.433 1.707 1.00 95.48 13 A 1 ATOM 102 C CB . LEU A 1 13 ? -0.710 2.756 4.386 1.00 93.84 13 A 1 ATOM 103 C CG . LEU A 1 13 ? 0.332 3.847 4.675 1.00 85.59 13 A 1 ATOM 104 C CD1 . LEU A 1 13 ? -0.068 5.193 4.067 1.00 82.64 13 A 1 ATOM 105 C CD2 . LEU A 1 13 ? 0.479 4.017 6.185 1.00 85.26 13 A 1 ATOM 106 N N . VAL A 1 14 ? 0.860 0.520 2.778 1.00 95.10 14 A 1 ATOM 107 C CA . VAL A 1 14 ? 2.076 -0.172 2.339 1.00 95.47 14 A 1 ATOM 108 C C . VAL A 1 14 ? 2.116 -0.312 0.815 1.00 96.32 14 A 1 ATOM 109 O O . VAL A 1 14 ? 3.149 -0.025 0.214 1.00 95.76 14 A 1 ATOM 110 C CB . VAL A 1 14 ? 2.206 -1.539 3.036 1.00 94.29 14 A 1 ATOM 111 C CG1 . VAL A 1 14 ? 3.340 -2.385 2.455 1.00 89.78 14 A 1 ATOM 112 C CG2 . VAL A 1 14 ? 2.510 -1.347 4.523 1.00 90.85 14 A 1 ATOM 113 N N . ILE A 1 15 ? 1.012 -0.677 0.177 1.00 95.84 15 A 1 ATOM 114 C CA . ILE A 1 15 ? 0.932 -0.769 -1.287 1.00 95.73 15 A 1 ATOM 115 C C . ILE A 1 15 ? 1.210 0.588 -1.935 1.00 96.08 15 A 1 ATOM 116 O O . ILE A 1 15 ? 1.997 0.662 -2.879 1.00 95.59 15 A 1 ATOM 117 C CB . ILE A 1 15 ? -0.439 -1.325 -1.722 1.00 95.59 15 A 1 ATOM 118 C CG1 . ILE A 1 15 ? -0.545 -2.814 -1.348 1.00 92.77 15 A 1 ATOM 119 C CG2 . ILE A 1 15 ? -0.654 -1.158 -3.239 1.00 92.62 15 A 1 ATOM 120 C CD1 . ILE A 1 15 ? -1.963 -3.355 -1.444 1.00 88.56 15 A 1 ATOM 121 N N . VAL A 1 16 ? 0.604 1.652 -1.435 1.00 97.38 16 A 1 ATOM 122 C CA . VAL A 1 16 ? 0.821 3.005 -1.962 1.00 97.00 16 A 1 ATOM 123 C C . VAL A 1 16 ? 2.282 3.424 -1.793 1.00 97.23 16 A 1 ATOM 124 O O . VAL A 1 16 ? 2.886 3.921 -2.744 1.00 96.60 16 A 1 ATOM 125 C CB . VAL A 1 16 ? -0.138 4.010 -1.298 1.00 96.54 16 A 1 ATOM 126 C CG1 . VAL A 1 16 ? 0.182 5.457 -1.676 1.00 92.56 16 A 1 ATOM 127 C CG2 . VAL A 1 16 ? -1.581 3.735 -1.734 1.00 93.13 16 A 1 ATOM 128 N N . CYS A 1 17 ? 2.871 3.179 -0.639 1.00 96.18 17 A 1 ATOM 129 C CA . CYS A 1 17 ? 4.278 3.486 -0.395 1.00 96.00 17 A 1 ATOM 130 C C . CYS A 1 17 ? 5.210 2.691 -1.320 1.00 95.95 17 A 1 ATOM 131 O O . CYS A 1 17 ? 6.142 3.266 -1.875 1.00 95.03 17 A 1 ATOM 132 C CB . CYS A 1 17 ? 4.615 3.205 1.078 1.00 95.69 17 A 1 ATOM 133 S SG . CYS A 1 17 ? 3.857 4.436 2.169 1.00 88.57 17 A 1 ATOM 134 N N . LEU A 1 18 ? 4.942 1.413 -1.523 1.00 96.34 18 A 1 ATOM 135 C CA . LEU A 1 18 ? 5.720 0.574 -2.432 1.00 95.91 18 A 1 ATOM 136 C C . LEU A 1 18 ? 5.589 1.047 -3.879 1.00 96.23 18 A 1 ATOM 137 O O . LEU A 1 18 ? 6.598 1.129 -4.575 1.00 95.77 18 A 1 ATOM 138 C CB . LEU A 1 18 ? 5.268 -0.887 -2.301 1.00 95.70 18 A 1 ATOM 139 C CG . LEU A 1 18 ? 5.729 -1.565 -1.002 1.00 91.12 18 A 1 ATOM 140 C CD1 . LEU A 1 18 ? 5.056 -2.930 -0.889 1.00 88.20 18 A 1 ATOM 141 C CD2 . LEU A 1 18 ? 7.240 -1.767 -0.964 1.00 89.63 18 A 1 ATOM 142 N N . ASN A 1 19 ? 4.395 1.407 -4.315 1.00 96.10 19 A 1 ATOM 143 C CA . ASN A 1 19 ? 4.171 1.912 -5.666 1.00 95.81 19 A 1 ATOM 144 C C . ASN A 1 19 ? 4.911 3.235 -5.900 1.00 96.18 19 A 1 ATOM 145 O O . ASN A 1 19 ? 5.603 3.388 -6.907 1.00 95.55 19 A 1 ATOM 146 C CB . ASN A 1 19 ? 2.658 2.049 -5.887 1.00 95.31 19 A 1 ATOM 147 C CG . ASN A 1 19 ? 2.337 2.301 -7.345 1.00 90.60 19 A 1 ATOM 148 O OD1 . ASN A 1 19 ? 3.016 1.862 -8.248 1.00 84.15 19 A 1 ATOM 149 N ND2 . ASN A 1 19 ? 1.258 2.988 -7.625 1.00 86.12 19 A 1 ATOM 150 N N . LEU A 1 20 ? 4.836 4.159 -4.946 1.00 96.42 20 A 1 ATOM 151 C CA . LEU A 1 20 ? 5.584 5.417 -5.011 1.00 96.03 20 A 1 ATOM 152 C C . LEU A 1 20 ? 7.094 5.166 -5.027 1.00 96.17 20 A 1 ATOM 153 O O . LEU A 1 20 ? 7.810 5.771 -5.824 1.00 95.58 20 A 1 ATOM 154 C CB . LEU A 1 20 ? 5.206 6.302 -3.813 1.00 95.75 20 A 1 ATOM 155 C CG . LEU A 1 20 ? 3.798 6.907 -3.887 1.00 89.62 20 A 1 ATOM 156 C CD1 . LEU A 1 20 ? 3.479 7.595 -2.557 1.00 85.15 20 A 1 ATOM 157 C CD2 . LEU A 1 20 ? 3.664 7.942 -5.002 1.00 87.05 20 A 1 ATOM 158 N N . PHE A 1 21 ? 7.565 4.249 -4.202 1.00 96.59 21 A 1 ATOM 159 C CA . PHE A 1 21 ? 8.975 3.886 -4.162 1.00 96.28 21 A 1 ATOM 160 C C . PHE A 1 21 ? 9.441 3.265 -5.486 1.00 96.57 21 A 1 ATOM 161 O O . PHE A 1 21 ? 10.510 3.620 -5.975 1.00 95.88 21 A 1 ATOM 162 C CB . PHE A 1 21 ? 9.210 2.940 -2.983 1.00 95.79 21 A 1 ATOM 163 C CG . PHE A 1 21 ? 10.673 2.664 -2.747 1.00 92.10 21 A 1 ATOM 164 C CD1 . PHE A 1 21 ? 11.266 1.493 -3.238 1.00 86.90 21 A 1 ATOM 165 C CD2 . PHE A 1 21 ? 11.454 3.601 -2.056 1.00 87.41 21 A 1 ATOM 166 C CE1 . PHE A 1 21 ? 12.633 1.257 -3.032 1.00 85.33 21 A 1 ATOM 167 C CE2 . PHE A 1 21 ? 12.821 3.366 -1.848 1.00 86.54 21 A 1 ATOM 168 C CZ . PHE A 1 21 ? 13.407 2.193 -2.337 1.00 86.54 21 A 1 ATOM 169 N N . GLN A 1 22 ? 8.624 2.405 -6.096 1.00 96.45 22 A 1 ATOM 170 C CA . GLN A 1 22 ? 8.919 1.828 -7.414 1.00 96.07 22 A 1 ATOM 171 C C . GLN A 1 22 ? 9.022 2.903 -8.495 1.00 96.23 22 A 1 ATOM 172 O O . GLN A 1 22 ? 9.980 2.900 -9.261 1.00 94.52 22 A 1 ATOM 173 C CB . GLN A 1 22 ? 7.830 0.811 -7.783 1.00 95.02 22 A 1 ATOM 174 C CG . GLN A 1 22 ? 7.948 -0.494 -6.980 1.00 86.77 22 A 1 ATOM 175 C CD . GLN A 1 22 ? 8.488 -1.640 -7.845 1.00 83.17 22 A 1 ATOM 176 O OE1 . GLN A 1 22 ? 7.960 -1.972 -8.893 1.00 79.30 22 A 1 ATOM 177 N NE2 . GLN A 1 22 ? 9.545 -2.290 -7.429 1.00 73.60 22 A 1 ATOM 178 N N . VAL A 1 23 ? 8.104 3.860 -8.514 1.00 96.57 23 A 1 ATOM 179 C CA . VAL A 1 23 ? 8.124 4.970 -9.481 1.00 96.13 23 A 1 ATOM 180 C C . VAL A 1 23 ? 9.361 5.853 -9.310 1.00 96.46 23 A 1 ATOM 181 O O . VAL A 1 23 ? 9.888 6.365 -10.294 1.00 95.51 23 A 1 ATOM 182 C CB . VAL A 1 23 ? 6.838 5.807 -9.356 1.00 95.22 23 A 1 ATOM 183 C CG1 . VAL A 1 23 ? 6.865 7.083 -10.203 1.00 89.24 23 A 1 ATOM 184 C CG2 . VAL A 1 23 ? 5.622 4.992 -9.808 1.00 89.68 23 A 1 ATOM 185 N N . VAL A 1 24 ? 9.833 6.026 -8.092 1.00 96.27 24 A 1 ATOM 186 C CA . VAL A 1 24 ? 11.056 6.806 -7.824 1.00 96.13 24 A 1 ATOM 187 C C . VAL A 1 24 ? 12.320 6.004 -8.159 1.00 96.02 24 A 1 ATOM 188 O O . VAL A 1 24 ? 13.334 6.589 -8.545 1.00 95.24 24 A 1 ATOM 189 C CB . VAL A 1 24 ? 11.066 7.288 -6.359 1.00 95.53 24 A 1 ATOM 190 C CG1 . VAL A 1 24 ? 12.374 7.978 -5.954 1.00 89.66 24 A 1 ATOM 191 C CG2 . VAL A 1 24 ? 9.941 8.308 -6.126 1.00 88.99 24 A 1 ATOM 192 N N . LEU A 1 25 ? 12.254 4.689 -8.006 1.00 94.70 25 A 1 ATOM 193 C CA . LEU A 1 25 ? 13.401 3.815 -8.235 1.00 94.48 25 A 1 ATOM 194 C C . LEU A 1 25 ? 13.617 3.507 -9.725 1.00 93.96 25 A 1 ATOM 195 O O . LEU A 1 25 ? 14.763 3.301 -10.138 1.00 93.28 25 A 1 ATOM 196 C CB . LEU A 1 25 ? 13.185 2.527 -7.421 1.00 93.37 25 A 1 ATOM 197 C CG . LEU A 1 25 ? 14.461 1.676 -7.279 1.00 86.88 25 A 1 ATOM 198 C CD1 . LEU A 1 25 ? 15.396 2.255 -6.207 1.00 80.95 25 A 1 ATOM 199 C CD2 . LEU A 1 25 ? 14.094 0.249 -6.867 1.00 79.97 25 A 1 ATOM 200 N N . THR A 1 26 ? 12.548 3.458 -10.507 1.00 93.52 26 A 1 ATOM 201 C CA . THR A 1 26 ? 12.574 3.140 -11.949 1.00 92.57 26 A 1 ATOM 202 C C . THR A 1 26 ? 12.382 4.382 -12.799 1.00 88.23 26 A 1 ATOM 203 O O . THR A 1 26 ? 13.100 4.504 -13.810 1.00 83.04 26 A 1 ATOM 204 C CB . THR A 1 26 ? 11.502 2.108 -12.317 1.00 89.17 26 A 1 ATOM 205 O OG1 . THR A 1 26 ? 10.219 2.546 -11.900 1.00 74.89 26 A 1 ATOM 206 C CG2 . THR A 1 26 ? 11.763 0.750 -11.679 1.00 78.88 26 A 1 ATOM 207 O OXT . THR A 1 26 ? 11.508 5.188 -12.444 1.00 78.23 26 A 1 #