# 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_spkb35844 # _entry.id spkb35844 # 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" "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" "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" "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 ASN 3 1 n ARG 4 1 n ASN 5 1 n LEU 6 1 n LEU 7 1 n LYS 8 1 n PHE 9 1 n LEU 10 1 n PRO 11 1 n GLY 12 1 n LEU 13 1 n LEU 14 1 n ILE 15 1 n CYS 16 1 n LEU 17 1 n ILE 18 1 n VAL 19 1 n LEU 20 1 n THR 21 1 n SER 22 # _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 @ 2025-07-08 17:48:09)" _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 85.62 _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 72.31 1 1 A ARG 2 2 70.56 1 2 A ASN 3 2 79.87 1 3 A ARG 4 2 72.25 1 4 A ASN 5 2 83.18 1 5 A LEU 6 2 85.66 1 6 A LEU 7 2 86.68 1 7 A LYS 8 2 82.17 1 8 A PHE 9 2 86.21 1 9 A LEU 10 2 87.35 1 10 A PRO 11 2 90.55 1 11 A GLY 12 2 93.02 1 12 A LEU 13 2 90.36 1 13 A LEU 14 2 90.68 1 14 A ILE 15 2 91.52 1 15 A CYS 16 2 93.32 1 16 A LEU 17 2 91.55 1 17 A ILE 18 2 94.68 1 18 A VAL 19 2 94.06 1 19 A LEU 20 2 92.26 1 20 A THR 21 2 91.96 1 21 A SER 22 2 81.89 1 22 # _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 ASN . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n THR . 21 A 21 A 22 1 n SER . 22 A 22 # _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 ? 1.092 -15.339 6.270 1.00 76.82 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.199 -14.536 7.503 1.00 79.59 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.609 -13.151 7.295 1.00 80.91 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.825 -12.533 6.258 1.00 74.94 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.661 -14.410 7.926 1.00 74.03 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.839 -13.690 9.238 1.00 69.23 1 A 1 ATOM 7 S SD . MET A 1 1 ? 4.504 -13.831 9.896 1.00 64.51 1 A 1 ATOM 8 C CE . MET A 1 1 ? 5.445 -13.015 8.627 1.00 58.47 1 A 1 ATOM 9 N N . ARG A 1 2 ? -0.116 -12.649 8.275 1.00 83.08 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -0.762 -11.333 8.173 1.00 84.19 2 A 1 ATOM 11 C C . ARG A 1 2 ? 0.266 -10.222 7.947 1.00 85.22 2 A 1 ATOM 12 O O . ARG A 1 2 ? -0.012 -9.250 7.253 1.00 82.97 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -1.558 -11.045 9.442 1.00 79.69 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -2.757 -11.979 9.589 1.00 68.44 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -3.579 -11.602 10.799 1.00 68.42 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -4.746 -12.480 10.930 1.00 61.42 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -4.708 -13.671 11.487 1.00 56.69 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -3.569 -14.148 11.950 1.00 54.14 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -5.805 -14.395 11.571 1.00 51.94 2 A 1 ATOM 20 N N . ASN A 1 3 ? 1.439 -10.362 8.539 1.00 83.65 3 A 1 ATOM 21 C CA . ASN A 1 3 ? 2.487 -9.350 8.377 1.00 85.59 3 A 1 ATOM 22 C C . ASN A 1 3 ? 2.822 -9.147 6.906 1.00 87.17 3 A 1 ATOM 23 O O . ASN A 1 3 ? 3.034 -8.023 6.454 1.00 86.30 3 A 1 ATOM 24 C CB . ASN A 1 3 ? 3.740 -9.772 9.141 1.00 81.97 3 A 1 ATOM 25 C CG . ASN A 1 3 ? 3.510 -9.705 10.636 1.00 75.71 3 A 1 ATOM 26 O OD1 . ASN A 1 3 ? 2.579 -9.070 11.104 1.00 69.16 3 A 1 ATOM 27 N ND2 . ASN A 1 3 ? 4.358 -10.363 11.408 1.00 69.41 3 A 1 ATOM 28 N N . ARG A 1 4 ? 2.864 -10.245 6.147 1.00 85.11 4 A 1 ATOM 29 C CA . ARG A 1 4 ? 3.155 -10.158 4.716 1.00 86.95 4 A 1 ATOM 30 C C . ARG A 1 4 ? 2.063 -9.368 4.008 1.00 89.66 4 A 1 ATOM 31 O O . ARG A 1 4 ? 2.342 -8.568 3.117 1.00 86.58 4 A 1 ATOM 32 C CB . ARG A 1 4 ? 3.249 -11.557 4.115 1.00 83.05 4 A 1 ATOM 33 C CG . ARG A 1 4 ? 4.420 -12.345 4.690 1.00 72.69 4 A 1 ATOM 34 C CD . ARG A 1 4 ? 5.740 -11.716 4.283 1.00 69.82 4 A 1 ATOM 35 N NE . ARG A 1 4 ? 6.883 -12.503 4.744 1.00 61.65 4 A 1 ATOM 36 C CZ . ARG A 1 4 ? 8.143 -12.141 4.572 1.00 56.90 4 A 1 ATOM 37 N NH1 . ARG A 1 4 ? 8.433 -11.008 3.969 1.00 53.47 4 A 1 ATOM 38 N NH2 . ARG A 1 4 ? 9.121 -12.911 5.007 1.00 48.89 4 A 1 ATOM 39 N N . ASN A 1 5 ? 0.822 -9.586 4.398 1.00 86.78 5 A 1 ATOM 40 C CA . ASN A 1 5 ? -0.305 -8.875 3.796 1.00 88.34 5 A 1 ATOM 41 C C . ASN A 1 5 ? -0.239 -7.391 4.138 1.00 90.25 5 A 1 ATOM 42 O O . ASN A 1 5 ? -0.566 -6.536 3.317 1.00 89.26 5 A 1 ATOM 43 C CB . ASN A 1 5 ? -1.621 -9.460 4.299 1.00 86.11 5 A 1 ATOM 44 C CG . ASN A 1 5 ? -2.797 -8.843 3.558 1.00 80.09 5 A 1 ATOM 45 O OD1 . ASN A 1 5 ? -2.629 -8.147 2.571 1.00 70.20 5 A 1 ATOM 46 N ND2 . ASN A 1 5 ? -4.008 -9.110 4.024 1.00 74.40 5 A 1 ATOM 47 N N . LEU A 1 6 ? 0.196 -7.074 5.356 1.00 90.48 6 A 1 ATOM 48 C CA . LEU A 1 6 ? 0.309 -5.682 5.789 1.00 90.68 6 A 1 ATOM 49 C C . LEU A 1 6 ? 1.339 -4.942 4.947 1.00 92.35 6 A 1 ATOM 50 O O . LEU A 1 6 ? 1.172 -3.762 4.652 1.00 91.73 6 A 1 ATOM 51 C CB . LEU A 1 6 ? 0.710 -5.623 7.263 1.00 90.29 6 A 1 ATOM 52 C CG . LEU A 1 6 ? -0.365 -6.182 8.197 1.00 79.47 6 A 1 ATOM 53 C CD1 . LEU A 1 6 ? 0.154 -6.207 9.625 1.00 75.20 6 A 1 ATOM 54 C CD2 . LEU A 1 6 ? -1.628 -5.339 8.118 1.00 75.11 6 A 1 ATOM 55 N N . LEU A 1 7 ? 2.395 -5.622 4.554 1.00 91.84 7 A 1 ATOM 56 C CA . LEU A 1 7 ? 3.439 -5.012 3.729 1.00 92.09 7 A 1 ATOM 57 C C . LEU A 1 7 ? 2.858 -4.528 2.407 1.00 92.98 7 A 1 ATOM 58 O O . LEU A 1 7 ? 3.377 -3.590 1.800 1.00 92.23 7 A 1 ATOM 59 C CB . LEU A 1 7 ? 4.545 -6.032 3.457 1.00 91.55 7 A 1 ATOM 60 C CG . LEU A 1 7 ? 5.307 -6.439 4.716 1.00 81.23 7 A 1 ATOM 61 C CD1 . LEU A 1 7 ? 6.291 -7.548 4.386 1.00 76.22 7 A 1 ATOM 62 C CD2 . LEU A 1 7 ? 6.053 -5.242 5.295 1.00 75.29 7 A 1 ATOM 63 N N . LYS A 1 8 ? 1.783 -5.153 1.961 1.00 90.12 8 A 1 ATOM 64 C CA . LYS A 1 8 ? 1.116 -4.757 0.721 1.00 90.52 8 A 1 ATOM 65 C C . LYS A 1 8 ? 0.001 -3.753 1.008 1.00 91.50 8 A 1 ATOM 66 O O . LYS A 1 8 ? -0.315 -2.915 0.167 1.00 90.16 8 A 1 ATOM 67 C CB . LYS A 1 8 ? 0.536 -5.986 0.030 1.00 89.29 8 A 1 ATOM 68 C CG . LYS A 1 8 ? 1.607 -6.974 -0.389 1.00 80.51 8 A 1 ATOM 69 C CD . LYS A 1 8 ? 0.994 -8.162 -1.095 1.00 77.62 8 A 1 ATOM 70 C CE . LYS A 1 8 ? 2.072 -9.154 -1.511 1.00 68.40 8 A 1 ATOM 71 N NZ . LYS A 1 8 ? 2.728 -9.745 -0.339 1.00 61.43 8 A 1 ATOM 72 N N . PHE A 1 9 ? -0.587 -3.854 2.184 1.00 90.71 9 A 1 ATOM 73 C CA . PHE A 1 9 ? -1.681 -2.966 2.567 1.00 90.61 9 A 1 ATOM 74 C C . PHE A 1 9 ? -1.174 -1.563 2.892 1.00 92.26 9 A 1 ATOM 75 O O . PHE A 1 9 ? -1.776 -0.570 2.484 1.00 91.32 9 A 1 ATOM 76 C CB . PHE A 1 9 ? -2.410 -3.541 3.778 1.00 90.16 9 A 1 ATOM 77 C CG . PHE A 1 9 ? -3.548 -2.657 4.223 1.00 86.90 9 A 1 ATOM 78 C CD1 . PHE A 1 9 ? -4.732 -2.622 3.506 1.00 82.93 9 A 1 ATOM 79 C CD2 . PHE A 1 9 ? -3.419 -1.855 5.346 1.00 82.95 9 A 1 ATOM 80 C CE1 . PHE A 1 9 ? -5.781 -1.807 3.901 1.00 80.24 9 A 1 ATOM 81 C CE2 . PHE A 1 9 ? -4.467 -1.026 5.750 1.00 80.83 9 A 1 ATOM 82 C CZ . PHE A 1 9 ? -5.647 -1.007 5.025 1.00 79.41 9 A 1 ATOM 83 N N . LEU A 1 10 ? -0.074 -1.464 3.632 1.00 92.11 10 A 1 ATOM 84 C CA . LEU A 1 10 ? 0.490 -0.170 4.013 1.00 91.91 10 A 1 ATOM 85 C C . LEU A 1 10 ? 0.784 0.703 2.792 1.00 93.03 10 A 1 ATOM 86 O O . LEU A 1 10 ? 0.329 1.846 2.733 1.00 92.82 10 A 1 ATOM 87 C CB . LEU A 1 10 ? 1.764 -0.381 4.833 1.00 91.01 10 A 1 ATOM 88 C CG . LEU A 1 10 ? 1.501 -0.995 6.207 1.00 83.58 10 A 1 ATOM 89 C CD1 . LEU A 1 10 ? 2.821 -1.319 6.892 1.00 77.06 10 A 1 ATOM 90 C CD2 . LEU A 1 10 ? 0.691 -0.035 7.063 1.00 77.30 10 A 1 ATOM 91 N N . PRO A 1 11 ? 1.549 0.213 1.820 1.00 91.46 11 A 1 ATOM 92 C CA . PRO A 1 11 ? 1.853 1.006 0.620 1.00 91.74 11 A 1 ATOM 93 C C . PRO A 1 11 ? 0.610 1.285 -0.208 1.00 92.71 11 A 1 ATOM 94 O O . PRO A 1 11 ? 0.525 2.309 -0.878 1.00 90.15 11 A 1 ATOM 95 C CB . PRO A 1 11 ? 2.839 0.121 -0.151 1.00 89.01 11 A 1 ATOM 96 C CG . PRO A 1 11 ? 2.549 -1.262 0.333 1.00 87.39 11 A 1 ATOM 97 C CD . PRO A 1 11 ? 2.163 -1.100 1.779 1.00 91.37 11 A 1 ATOM 98 N N . GLY A 1 12 ? -0.350 0.395 -0.158 1.00 93.19 12 A 1 ATOM 99 C CA . GLY A 1 12 ? -1.588 0.583 -0.903 1.00 93.02 12 A 1 ATOM 100 C C . GLY A 1 12 ? -2.317 1.842 -0.482 1.00 93.98 12 A 1 ATOM 101 O O . GLY A 1 12 ? -2.707 2.656 -1.315 1.00 91.89 12 A 1 ATOM 102 N N . LEU A 1 13 ? -2.507 2.026 0.821 1.00 94.14 13 A 1 ATOM 103 C CA . LEU A 1 13 ? -3.204 3.207 1.322 1.00 94.45 13 A 1 ATOM 104 C C . LEU A 1 13 ? -2.359 4.460 1.123 1.00 95.17 13 A 1 ATOM 105 O O . LEU A 1 13 ? -2.893 5.546 0.906 1.00 93.93 13 A 1 ATOM 106 C CB . LEU A 1 13 ? -3.550 3.008 2.802 1.00 93.60 13 A 1 ATOM 107 C CG . LEU A 1 13 ? -2.326 2.885 3.710 1.00 87.06 13 A 1 ATOM 108 C CD1 . LEU A 1 13 ? -1.871 4.264 4.174 1.00 82.03 13 A 1 ATOM 109 C CD2 . LEU A 1 13 ? -2.666 2.026 4.916 1.00 82.53 13 A 1 ATOM 110 N N . LEU A 1 14 ? -1.036 4.331 1.207 1.00 94.02 14 A 1 ATOM 111 C CA . LEU A 1 14 ? -0.145 5.475 1.023 1.00 94.24 14 A 1 ATOM 112 C C . LEU A 1 14 ? -0.256 6.008 -0.395 1.00 94.95 14 A 1 ATOM 113 O O . LEU A 1 14 ? -0.259 7.219 -0.612 1.00 94.51 14 A 1 ATOM 114 C CB . LEU A 1 14 ? 1.298 5.058 1.306 1.00 93.46 14 A 1 ATOM 115 C CG . LEU A 1 14 ? 1.564 4.775 2.780 1.00 87.97 14 A 1 ATOM 116 C CD1 . LEU A 1 14 ? 2.970 4.226 2.959 1.00 82.33 14 A 1 ATOM 117 C CD2 . LEU A 1 14 ? 1.397 6.051 3.600 1.00 83.92 14 A 1 ATOM 118 N N . ILE A 1 15 ? -0.349 5.118 -1.360 1.00 93.90 15 A 1 ATOM 119 C CA . ILE A 1 15 ? -0.478 5.516 -2.759 1.00 94.10 15 A 1 ATOM 120 C C . ILE A 1 15 ? -1.752 6.332 -2.949 1.00 94.79 15 A 1 ATOM 121 O O . ILE A 1 15 ? -1.753 7.346 -3.647 1.00 93.21 15 A 1 ATOM 122 C CB . ILE A 1 15 ? -0.506 4.279 -3.665 1.00 93.23 15 A 1 ATOM 123 C CG1 . ILE A 1 15 ? 0.844 3.560 -3.609 1.00 89.88 15 A 1 ATOM 124 C CG2 . ILE A 1 15 ? -0.822 4.695 -5.103 1.00 89.05 15 A 1 ATOM 125 C CD1 . ILE A 1 15 ? 0.797 2.178 -4.240 1.00 84.03 15 A 1 ATOM 126 N N . CYS A 1 16 ? -2.823 5.906 -2.326 1.00 95.05 16 A 1 ATOM 127 C CA . CYS A 1 16 ? -4.096 6.613 -2.436 1.00 95.10 16 A 1 ATOM 128 C C . CYS A 1 16 ? -3.968 8.032 -1.889 1.00 95.75 16 A 1 ATOM 129 O O . CYS A 1 16 ? -4.451 8.983 -2.493 1.00 94.13 16 A 1 ATOM 130 C CB . CYS A 1 16 ? -5.172 5.854 -1.665 1.00 93.70 16 A 1 ATOM 131 S SG . CYS A 1 16 ? -5.514 4.245 -2.399 1.00 86.22 16 A 1 ATOM 132 N N . LEU A 1 17 ? -3.314 8.174 -0.740 1.00 94.61 17 A 1 ATOM 133 C CA . LEU A 1 17 ? -3.137 9.483 -0.117 1.00 95.01 17 A 1 ATOM 134 C C . LEU A 1 17 ? -2.267 10.387 -0.978 1.00 95.75 17 A 1 ATOM 135 O O . LEU A 1 17 ? -2.580 11.560 -1.168 1.00 95.09 17 A 1 ATOM 136 C CB . LEU A 1 17 ? -2.492 9.308 1.256 1.00 94.34 17 A 1 ATOM 137 C CG . LEU A 1 17 ? -3.382 8.564 2.248 1.00 88.45 17 A 1 ATOM 138 C CD1 . LEU A 1 17 ? -2.607 8.283 3.530 1.00 83.94 17 A 1 ATOM 139 C CD2 . LEU A 1 17 ? -4.624 9.383 2.561 1.00 85.18 17 A 1 ATOM 140 N N . ILE A 1 18 ? -1.168 9.851 -1.489 1.00 96.15 18 A 1 ATOM 141 C CA . ILE A 1 18 ? -0.249 10.623 -2.326 1.00 96.06 18 A 1 ATOM 142 C C . ILE A 1 18 ? -0.938 11.073 -3.610 1.00 96.44 18 A 1 ATOM 143 O O . ILE A 1 18 ? -0.824 12.228 -4.012 1.00 95.49 18 A 1 ATOM 144 C CB . ILE A 1 18 ? 0.992 9.786 -2.665 1.00 95.66 18 A 1 ATOM 145 C CG1 . ILE A 1 18 ? 1.775 9.476 -1.387 1.00 93.85 18 A 1 ATOM 146 C CG2 . ILE A 1 18 ? 1.878 10.547 -3.654 1.00 93.30 18 A 1 ATOM 147 C CD1 . ILE A 1 18 ? 2.836 8.412 -1.588 1.00 90.49 18 A 1 ATOM 148 N N . VAL A 1 19 ? -1.641 10.173 -4.254 1.00 96.42 19 A 1 ATOM 149 C CA . VAL A 1 19 ? -2.330 10.497 -5.505 1.00 96.09 19 A 1 ATOM 150 C C . VAL A 1 19 ? -3.413 11.546 -5.279 1.00 96.41 19 A 1 ATOM 151 O O . VAL A 1 19 ? -3.565 12.475 -6.072 1.00 95.29 19 A 1 ATOM 152 C CB . VAL A 1 19 ? -2.958 9.236 -6.114 1.00 94.92 19 A 1 ATOM 153 C CG1 . VAL A 1 19 ? -3.797 9.589 -7.332 1.00 89.56 19 A 1 ATOM 154 C CG2 . VAL A 1 19 ? -1.868 8.255 -6.505 1.00 89.76 19 A 1 ATOM 155 N N . LEU A 1 20 ? -4.160 11.405 -4.199 1.00 95.89 20 A 1 ATOM 156 C CA . LEU A 1 20 ? -5.245 12.342 -3.899 1.00 95.87 20 A 1 ATOM 157 C C . LEU A 1 20 ? -4.708 13.707 -3.486 1.00 96.01 20 A 1 ATOM 158 O O . LEU A 1 20 ? -5.232 14.736 -3.907 1.00 95.18 20 A 1 ATOM 159 C CB . LEU A 1 20 ? -6.113 11.768 -2.778 1.00 95.27 20 A 1 ATOM 160 C CG . LEU A 1 20 ? -6.890 10.520 -3.198 1.00 90.80 20 A 1 ATOM 161 C CD1 . LEU A 1 20 ? -7.596 9.921 -1.989 1.00 84.31 20 A 1 ATOM 162 C CD2 . LEU A 1 20 ? -7.910 10.872 -4.271 1.00 84.78 20 A 1 ATOM 163 N N . THR A 1 21 ? -3.681 13.730 -2.645 1.00 95.95 21 A 1 ATOM 164 C CA . THR A 1 21 ? -3.112 14.992 -2.162 1.00 95.52 21 A 1 ATOM 165 C C . THR A 1 21 ? -2.162 15.629 -3.171 1.00 95.03 21 A 1 ATOM 166 O O . THR A 1 21 ? -1.959 16.842 -3.165 1.00 92.02 21 A 1 ATOM 167 C CB . THR A 1 21 ? -2.370 14.768 -0.842 1.00 94.05 21 A 1 ATOM 168 O OG1 . THR A 1 21 ? -2.009 16.031 -0.274 1.00 86.33 21 A 1 ATOM 169 C CG2 . THR A 1 21 ? -1.105 13.964 -1.059 1.00 84.81 21 A 1 ATOM 170 N N . SER A 1 22 ? -1.574 14.831 -4.031 1.00 92.19 22 A 1 ATOM 171 C CA . SER A 1 22 ? -0.600 15.324 -5.009 1.00 88.41 22 A 1 ATOM 172 C C . SER A 1 22 ? -0.855 14.713 -6.376 1.00 82.62 22 A 1 ATOM 173 O O . SER A 1 22 ? -0.050 13.890 -6.842 1.00 76.54 22 A 1 ATOM 174 C CB . SER A 1 22 ? 0.817 15.010 -4.550 1.00 83.22 22 A 1 ATOM 175 O OG . SER A 1 22 ? 1.087 15.614 -3.310 1.00 74.48 22 A 1 ATOM 176 O OXT . SER A 1 22 ? -1.859 15.072 -6.999 1.00 75.75 22 A 1 #