# 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_spkb30687 # _entry.id spkb30687 # 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 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 VAL 2 1 n SER 3 1 n ALA 4 1 n ALA 5 1 n ALA 6 1 n SER 7 1 n ALA 8 1 n GLY 9 1 n ARG 10 1 n LEU 11 1 n GLY 12 1 n SER 13 1 n ALA 14 1 n LEU 15 1 n PRO 16 1 n PHE 17 1 n LEU 18 1 n LEU 19 1 n VAL 20 1 n LEU 21 1 n LEU 22 1 n ASP 23 1 n LEU 24 1 n GLN 25 1 n TYR 26 1 n GLN 27 1 n GLY 28 1 n ALA 29 1 n GLU 30 1 n CYS 31 # _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 @ 2025-07-03 20:30:20)" _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 87.65 _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 75.23 1 1 A VAL 2 2 77.17 1 2 A SER 3 2 80.31 1 3 A ALA 4 2 88.28 1 4 A ALA 5 2 86.64 1 5 A ALA 6 2 87.66 1 6 A SER 7 2 85.08 1 7 A ALA 8 2 87.44 1 8 A GLY 9 2 88.06 1 9 A ARG 10 2 78.06 1 10 A LEU 11 2 86.41 1 11 A GLY 12 2 91.78 1 12 A SER 13 2 90.64 1 13 A ALA 14 2 95.94 1 14 A LEU 15 2 91.21 1 15 A PRO 16 2 95.22 1 16 A PHE 17 2 86.18 1 17 A LEU 18 2 91.45 1 18 A LEU 19 2 93.37 1 19 A VAL 20 2 95.81 1 20 A LEU 21 2 92.59 1 21 A LEU 22 2 93.02 1 22 A ASP 23 2 90.19 1 23 A LEU 24 2 93.19 1 24 A GLN 25 2 88.72 1 25 A TYR 26 2 87.94 1 26 A GLN 27 2 88.44 1 27 A GLY 28 2 94.35 1 28 A ALA 29 2 92.56 1 29 A GLU 30 2 79.94 1 30 A CYS 31 2 76.99 1 31 # _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 VAL . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n ARG . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ASP . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n GLN . 25 A 25 A 26 1 n TYR . 26 A 26 A 27 1 n GLN . 27 A 27 A 28 1 n GLY . 28 A 28 A 29 1 n ALA . 29 A 29 A 30 1 n GLU . 30 A 30 A 31 1 n CYS . 31 A 31 # _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 ? -19.949 13.827 3.869 1.00 78.66 1 A 1 ATOM 2 C CA . MET A 1 1 ? -19.228 13.055 4.903 1.00 83.19 1 A 1 ATOM 3 C C . MET A 1 1 ? -18.925 11.677 4.330 1.00 83.51 1 A 1 ATOM 4 O O . MET A 1 1 ? -19.851 10.917 4.095 1.00 77.81 1 A 1 ATOM 5 C CB . MET A 1 1 ? -20.078 12.930 6.180 1.00 77.31 1 A 1 ATOM 6 C CG . MET A 1 1 ? -20.098 14.239 6.980 1.00 72.18 1 A 1 ATOM 7 S SD . MET A 1 1 ? -21.215 14.142 8.397 1.00 69.46 1 A 1 ATOM 8 C CE . MET A 1 1 ? -20.765 15.652 9.279 1.00 59.74 1 A 1 ATOM 9 N N . VAL A 1 2 ? -17.669 11.379 4.011 1.00 78.67 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -17.264 10.030 3.576 1.00 81.03 2 A 1 ATOM 11 C C . VAL A 1 2 ? -17.205 9.176 4.836 1.00 83.14 2 A 1 ATOM 12 O O . VAL A 1 2 ? -16.432 9.479 5.744 1.00 78.53 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -15.921 10.060 2.826 1.00 75.87 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -15.500 8.653 2.390 1.00 69.76 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -16.016 10.934 1.571 1.00 73.20 2 A 1 ATOM 16 N N . SER A 1 3 ? -18.083 8.179 4.932 1.00 81.71 3 A 1 ATOM 17 C CA . SER A 1 3 ? -18.152 7.296 6.095 1.00 84.40 3 A 1 ATOM 18 C C . SER A 1 3 ? -16.807 6.591 6.279 1.00 85.25 3 A 1 ATOM 19 O O . SER A 1 3 ? -16.278 6.021 5.321 1.00 82.31 3 A 1 ATOM 20 C CB . SER A 1 3 ? -19.290 6.287 5.911 1.00 80.14 3 A 1 ATOM 21 O OG . SER A 1 3 ? -19.355 5.422 7.022 1.00 68.03 3 A 1 ATOM 22 N N . ALA A 1 4 ? -16.273 6.601 7.509 1.00 87.33 4 A 1 ATOM 23 C CA . ALA A 1 4 ? -15.017 5.924 7.852 1.00 89.14 4 A 1 ATOM 24 C C . ALA A 1 4 ? -15.033 4.422 7.499 1.00 90.39 4 A 1 ATOM 25 O O . ALA A 1 4 ? -13.992 3.844 7.197 1.00 88.08 4 A 1 ATOM 26 C CB . ALA A 1 4 ? -14.764 6.149 9.348 1.00 86.45 4 A 1 ATOM 27 N N . ALA A 1 5 ? -16.228 3.808 7.430 1.00 86.87 5 A 1 ATOM 28 C CA . ALA A 1 5 ? -16.398 2.433 6.965 1.00 87.78 5 A 1 ATOM 29 C C . ALA A 1 5 ? -16.098 2.264 5.462 1.00 88.66 5 A 1 ATOM 30 O O . ALA A 1 5 ? -15.543 1.247 5.052 1.00 85.59 5 A 1 ATOM 31 C CB . ALA A 1 5 ? -17.833 2.007 7.302 1.00 84.30 5 A 1 ATOM 32 N N . ALA A 1 6 ? -16.413 3.270 4.622 1.00 87.85 6 A 1 ATOM 33 C CA . ALA A 1 6 ? -16.134 3.231 3.188 1.00 88.21 6 A 1 ATOM 34 C C . ALA A 1 6 ? -14.634 3.412 2.891 1.00 89.61 6 A 1 ATOM 35 O O . ALA A 1 6 ? -14.108 2.782 1.977 1.00 87.03 6 A 1 ATOM 36 C CB . ALA A 1 6 ? -16.980 4.303 2.486 1.00 85.58 6 A 1 ATOM 37 N N . SER A 1 7 ? -13.923 4.229 3.688 1.00 86.83 7 A 1 ATOM 38 C CA . SER A 1 7 ? -12.469 4.358 3.614 1.00 88.65 7 A 1 ATOM 39 C C . SER A 1 7 ? -11.755 3.118 4.149 1.00 89.10 7 A 1 ATOM 40 O O . SER A 1 7 ? -10.795 2.676 3.523 1.00 86.71 7 A 1 ATOM 41 C CB . SER A 1 7 ? -11.985 5.628 4.323 1.00 85.94 7 A 1 ATOM 42 O OG . SER A 1 7 ? -12.583 5.797 5.586 1.00 73.27 7 A 1 ATOM 43 N N . ALA A 1 8 ? -12.247 2.493 5.220 1.00 88.21 8 A 1 ATOM 44 C CA . ALA A 1 8 ? -11.684 1.255 5.760 1.00 88.30 8 A 1 ATOM 45 C C . ALA A 1 8 ? -11.800 0.075 4.778 1.00 89.10 8 A 1 ATOM 46 O O . ALA A 1 8 ? -10.832 -0.659 4.591 1.00 85.67 8 A 1 ATOM 47 C CB . ALA A 1 8 ? -12.369 0.949 7.095 1.00 85.91 8 A 1 ATOM 48 N N . GLY A 1 9 ? -12.939 -0.060 4.079 1.00 87.61 9 A 1 ATOM 49 C CA . GLY A 1 9 ? -13.112 -1.090 3.043 1.00 87.66 9 A 1 ATOM 50 C C . GLY A 1 9 ? -12.180 -0.901 1.839 1.00 89.62 9 A 1 ATOM 51 O O . GLY A 1 9 ? -11.604 -1.864 1.334 1.00 87.36 9 A 1 ATOM 52 N N . ARG A 1 10 ? -11.954 0.359 1.408 1.00 89.47 10 A 1 ATOM 53 C CA . ARG A 1 10 ? -11.005 0.684 0.327 1.00 90.93 10 A 1 ATOM 54 C C . ARG A 1 10 ? -9.549 0.515 0.762 1.00 92.91 10 A 1 ATOM 55 O O . ARG A 1 10 ? -8.744 0.044 -0.033 1.00 90.36 10 A 1 ATOM 56 C CB . ARG A 1 10 ? -11.244 2.104 -0.198 1.00 88.50 10 A 1 ATOM 57 C CG . ARG A 1 10 ? -12.526 2.193 -1.032 1.00 79.56 10 A 1 ATOM 58 C CD . ARG A 1 10 ? -12.660 3.598 -1.620 1.00 76.82 10 A 1 ATOM 59 N NE . ARG A 1 10 ? -13.903 3.742 -2.396 1.00 69.87 10 A 1 ATOM 60 C CZ . ARG A 1 10 ? -14.169 4.693 -3.282 1.00 64.21 10 A 1 ATOM 61 N NH1 . ARG A 1 10 ? -13.310 5.632 -3.565 1.00 58.06 10 A 1 ATOM 62 N NH2 . ARG A 1 10 ? -15.321 4.710 -3.899 1.00 57.92 10 A 1 ATOM 63 N N . LEU A 1 11 ? -9.202 0.857 2.009 1.00 90.51 11 A 1 ATOM 64 C CA . LEU A 1 11 ? -7.872 0.622 2.570 1.00 91.16 11 A 1 ATOM 65 C C . LEU A 1 11 ? -7.580 -0.873 2.708 1.00 93.23 11 A 1 ATOM 66 O O . LEU A 1 11 ? -6.490 -1.300 2.345 1.00 91.32 11 A 1 ATOM 67 C CB . LEU A 1 11 ? -7.743 1.345 3.918 1.00 89.57 11 A 1 ATOM 68 C CG . LEU A 1 11 ? -7.535 2.863 3.772 1.00 82.54 11 A 1 ATOM 69 C CD1 . LEU A 1 11 ? -7.780 3.557 5.111 1.00 76.47 11 A 1 ATOM 70 C CD2 . LEU A 1 11 ? -6.113 3.192 3.328 1.00 76.49 11 A 1 ATOM 71 N N . GLY A 1 12 ? -8.559 -1.678 3.128 1.00 91.26 12 A 1 ATOM 72 C CA . GLY A 1 12 ? -8.412 -3.134 3.219 1.00 91.02 12 A 1 ATOM 73 C C . GLY A 1 12 ? -8.094 -3.809 1.881 1.00 92.79 12 A 1 ATOM 74 O O . GLY A 1 12 ? -7.288 -4.733 1.840 1.00 92.04 12 A 1 ATOM 75 N N . SER A 1 13 ? -8.654 -3.307 0.763 1.00 93.14 13 A 1 ATOM 76 C CA . SER A 1 13 ? -8.331 -3.803 -0.583 1.00 94.04 13 A 1 ATOM 77 C C . SER A 1 13 ? -7.061 -3.181 -1.182 1.00 94.87 13 A 1 ATOM 78 O O . SER A 1 13 ? -6.408 -3.819 -2.002 1.00 92.87 13 A 1 ATOM 79 C CB . SER A 1 13 ? -9.524 -3.610 -1.523 1.00 90.85 13 A 1 ATOM 80 O OG . SER A 1 13 ? -10.036 -2.294 -1.476 1.00 78.09 13 A 1 ATOM 81 N N . ALA A 1 14 ? -6.675 -1.959 -0.771 1.00 95.45 14 A 1 ATOM 82 C CA . ALA A 1 14 ? -5.466 -1.285 -1.250 1.00 96.26 14 A 1 ATOM 83 C C . ALA A 1 14 ? -4.194 -1.728 -0.505 1.00 97.04 14 A 1 ATOM 84 O O . ALA A 1 14 ? -3.111 -1.708 -1.090 1.00 95.87 14 A 1 ATOM 85 C CB . ALA A 1 14 ? -5.674 0.228 -1.139 1.00 95.06 14 A 1 ATOM 86 N N . LEU A 1 15 ? -4.314 -2.156 0.762 1.00 95.61 15 A 1 ATOM 87 C CA . LEU A 1 15 ? -3.213 -2.653 1.591 1.00 95.78 15 A 1 ATOM 88 C C . LEU A 1 15 ? -2.371 -3.743 0.910 1.00 96.52 15 A 1 ATOM 89 O O . LEU A 1 15 ? -1.155 -3.559 0.840 1.00 96.23 15 A 1 ATOM 90 C CB . LEU A 1 15 ? -3.763 -3.136 2.943 1.00 94.76 15 A 1 ATOM 91 C CG . LEU A 1 15 ? -3.742 -2.049 4.029 1.00 87.43 15 A 1 ATOM 92 C CD1 . LEU A 1 15 ? -4.628 -2.463 5.204 1.00 81.53 15 A 1 ATOM 93 C CD2 . LEU A 1 15 ? -2.329 -1.818 4.553 1.00 81.84 15 A 1 ATOM 94 N N . PRO A 1 16 ? -2.945 -4.835 0.366 1.00 95.99 16 A 1 ATOM 95 C CA . PRO A 1 16 ? -2.138 -5.855 -0.312 1.00 96.13 16 A 1 ATOM 96 C C . PRO A 1 16 ? -1.405 -5.298 -1.537 1.00 96.85 16 A 1 ATOM 97 O O . PRO A 1 16 ? -0.263 -5.668 -1.781 1.00 95.58 16 A 1 ATOM 98 C CB . PRO A 1 16 ? -3.121 -6.976 -0.687 1.00 94.42 16 A 1 ATOM 99 C CG . PRO A 1 16 ? -4.484 -6.295 -0.699 1.00 92.59 16 A 1 ATOM 100 C CD . PRO A 1 16 ? -4.337 -5.234 0.391 1.00 95.01 16 A 1 ATOM 101 N N . PHE A 1 17 ? -2.001 -4.359 -2.271 1.00 95.28 17 A 1 ATOM 102 C CA . PHE A 1 17 ? -1.365 -3.722 -3.424 1.00 95.40 17 A 1 ATOM 103 C C . PHE A 1 17 ? -0.204 -2.809 -3.006 1.00 96.34 17 A 1 ATOM 104 O O . PHE A 1 17 ? 0.860 -2.834 -3.624 1.00 95.54 17 A 1 ATOM 105 C CB . PHE A 1 17 ? -2.430 -2.955 -4.212 1.00 94.20 17 A 1 ATOM 106 C CG . PHE A 1 17 ? -2.029 -2.692 -5.646 1.00 85.73 17 A 1 ATOM 107 C CD1 . PHE A 1 17 ? -1.432 -1.476 -6.015 1.00 80.10 17 A 1 ATOM 108 C CD2 . PHE A 1 17 ? -2.245 -3.689 -6.617 1.00 79.81 17 A 1 ATOM 109 C CE1 . PHE A 1 17 ? -1.052 -1.248 -7.351 1.00 75.44 17 A 1 ATOM 110 C CE2 . PHE A 1 17 ? -1.866 -3.464 -7.949 1.00 75.03 17 A 1 ATOM 111 C CZ . PHE A 1 17 ? -1.268 -2.245 -8.318 1.00 75.08 17 A 1 ATOM 112 N N . LEU A 1 18 ? -0.375 -2.048 -1.906 1.00 96.25 18 A 1 ATOM 113 C CA . LEU A 1 18 ? 0.683 -1.211 -1.339 1.00 96.17 18 A 1 ATOM 114 C C . LEU A 1 18 ? 1.845 -2.049 -0.799 1.00 96.90 18 A 1 ATOM 115 O O . LEU A 1 18 ? 2.995 -1.663 -0.989 1.00 96.54 18 A 1 ATOM 116 C CB . LEU A 1 18 ? 0.100 -0.324 -0.228 1.00 95.46 18 A 1 ATOM 117 C CG . LEU A 1 18 ? -0.819 0.799 -0.738 1.00 86.06 18 A 1 ATOM 118 C CD1 . LEU A 1 18 ? -1.504 1.474 0.449 1.00 81.96 18 A 1 ATOM 119 C CD2 . LEU A 1 18 ? -0.049 1.864 -1.518 1.00 82.24 18 A 1 ATOM 120 N N . LEU A 1 19 ? 1.569 -3.196 -0.178 1.00 96.48 19 A 1 ATOM 121 C CA . LEU A 1 19 ? 2.605 -4.118 0.299 1.00 96.52 19 A 1 ATOM 122 C C . LEU A 1 19 ? 3.430 -4.694 -0.858 1.00 96.76 19 A 1 ATOM 123 O O . LEU A 1 19 ? 4.650 -4.709 -0.770 1.00 96.42 19 A 1 ATOM 124 C CB . LEU A 1 19 ? 1.960 -5.245 1.121 1.00 96.16 19 A 1 ATOM 125 C CG . LEU A 1 19 ? 1.445 -4.798 2.499 1.00 90.97 19 A 1 ATOM 126 C CD1 . LEU A 1 19 ? 0.639 -5.933 3.133 1.00 86.65 19 A 1 ATOM 127 C CD2 . LEU A 1 19 ? 2.579 -4.426 3.452 1.00 87.01 19 A 1 ATOM 128 N N . VAL A 1 20 ? 2.791 -5.082 -1.969 1.00 97.21 20 A 1 ATOM 129 C CA . VAL A 1 20 ? 3.499 -5.547 -3.177 1.00 96.97 20 A 1 ATOM 130 C C . VAL A 1 20 ? 4.369 -4.438 -3.775 1.00 97.05 20 A 1 ATOM 131 O O . VAL A 1 20 ? 5.517 -4.682 -4.137 1.00 96.44 20 A 1 ATOM 132 C CB . VAL A 1 20 ? 2.496 -6.080 -4.219 1.00 96.45 20 A 1 ATOM 133 C CG1 . VAL A 1 20 ? 3.146 -6.391 -5.573 1.00 93.63 20 A 1 ATOM 134 C CG2 . VAL A 1 20 ? 1.846 -7.378 -3.727 1.00 92.95 20 A 1 ATOM 135 N N . LEU A 1 21 ? 3.868 -3.193 -3.838 1.00 96.68 21 A 1 ATOM 136 C CA . LEU A 1 21 ? 4.661 -2.058 -4.323 1.00 96.38 21 A 1 ATOM 137 C C . LEU A 1 21 ? 5.847 -1.739 -3.410 1.00 96.45 21 A 1 ATOM 138 O O . LEU A 1 21 ? 6.901 -1.337 -3.905 1.00 95.96 21 A 1 ATOM 139 C CB . LEU A 1 21 ? 3.763 -0.817 -4.452 1.00 95.92 21 A 1 ATOM 140 C CG . LEU A 1 21 ? 2.788 -0.846 -5.641 1.00 90.05 21 A 1 ATOM 141 C CD1 . LEU A 1 21 ? 1.882 0.383 -5.558 1.00 84.35 21 A 1 ATOM 142 C CD2 . LEU A 1 21 ? 3.513 -0.819 -6.988 1.00 84.95 21 A 1 ATOM 143 N N . LEU A 1 22 ? 5.680 -1.892 -2.083 1.00 96.78 22 A 1 ATOM 144 C CA . LEU A 1 22 ? 6.757 -1.692 -1.116 1.00 96.34 22 A 1 ATOM 145 C C . LEU A 1 22 ? 7.825 -2.779 -1.251 1.00 96.53 22 A 1 ATOM 146 O O . LEU A 1 22 ? 9.010 -2.465 -1.271 1.00 95.95 22 A 1 ATOM 147 C CB . LEU A 1 22 ? 6.161 -1.668 0.302 1.00 95.74 22 A 1 ATOM 148 C CG . LEU A 1 22 ? 7.080 -0.952 1.307 1.00 91.26 22 A 1 ATOM 149 C CD1 . LEU A 1 22 ? 6.652 0.510 1.482 1.00 85.33 22 A 1 ATOM 150 C CD2 . LEU A 1 22 ? 7.021 -1.632 2.676 1.00 86.26 22 A 1 ATOM 151 N N . ASP A 1 23 ? 7.411 -4.032 -1.412 1.00 96.65 23 A 1 ATOM 152 C CA . ASP A 1 23 ? 8.303 -5.181 -1.611 1.00 96.34 23 A 1 ATOM 153 C C . ASP A 1 23 ? 9.129 -5.047 -2.902 1.00 96.70 23 A 1 ATOM 154 O O . ASP A 1 23 ? 10.350 -5.201 -2.889 1.00 96.03 23 A 1 ATOM 155 C CB . ASP A 1 23 ? 7.450 -6.452 -1.613 1.00 95.71 23 A 1 ATOM 156 C CG . ASP A 1 23 ? 8.316 -7.707 -1.570 1.00 86.28 23 A 1 ATOM 157 O OD1 . ASP A 1 23 ? 8.893 -7.953 -0.490 1.00 76.96 23 A 1 ATOM 158 O OD2 . ASP A 1 23 ? 8.363 -8.414 -2.593 1.00 76.87 23 A 1 ATOM 159 N N . LEU A 1 24 ? 8.495 -4.625 -4.008 1.00 96.81 24 A 1 ATOM 160 C CA . LEU A 1 24 ? 9.192 -4.360 -5.273 1.00 96.37 24 A 1 ATOM 161 C C . LEU A 1 24 ? 10.210 -3.217 -5.158 1.00 96.56 24 A 1 ATOM 162 O O . LEU A 1 24 ? 11.289 -3.294 -5.743 1.00 95.65 24 A 1 ATOM 163 C CB . LEU A 1 24 ? 8.158 -4.022 -6.360 1.00 95.81 24 A 1 ATOM 164 C CG . LEU A 1 24 ? 7.330 -5.222 -6.846 1.00 92.26 24 A 1 ATOM 165 C CD1 . LEU A 1 24 ? 6.197 -4.722 -7.742 1.00 85.90 24 A 1 ATOM 166 C CD2 . LEU A 1 24 ? 8.172 -6.212 -7.654 1.00 86.17 24 A 1 ATOM 167 N N . GLN A 1 25 ? 9.889 -2.154 -4.399 1.00 96.67 25 A 1 ATOM 168 C CA . GLN A 1 25 ? 10.826 -1.052 -4.151 1.00 96.46 25 A 1 ATOM 169 C C . GLN A 1 25 ? 11.991 -1.495 -3.266 1.00 96.61 25 A 1 ATOM 170 O O . GLN A 1 25 ? 13.129 -1.101 -3.526 1.00 95.74 25 A 1 ATOM 171 C CB . GLN A 1 25 ? 10.098 0.136 -3.509 1.00 96.05 25 A 1 ATOM 172 C CG . GLN A 1 25 ? 9.306 0.937 -4.543 1.00 90.27 25 A 1 ATOM 173 C CD . GLN A 1 25 ? 8.510 2.043 -3.876 1.00 82.15 25 A 1 ATOM 174 O OE1 . GLN A 1 25 ? 8.983 3.140 -3.625 1.00 74.07 25 A 1 ATOM 175 N NE2 . GLN A 1 25 ? 7.267 1.794 -3.547 1.00 70.50 25 A 1 ATOM 176 N N . TYR A 1 26 ? 11.725 -2.315 -2.245 1.00 97.10 26 A 1 ATOM 177 C CA . TYR A 1 26 ? 12.757 -2.852 -1.363 1.00 96.51 26 A 1 ATOM 178 C C . TYR A 1 26 ? 13.728 -3.757 -2.131 1.00 96.40 26 A 1 ATOM 179 O O . TYR A 1 26 ? 14.937 -3.522 -2.100 1.00 94.99 26 A 1 ATOM 180 C CB . TYR A 1 26 ? 12.075 -3.572 -0.192 1.00 95.36 26 A 1 ATOM 181 C CG . TYR A 1 26 ? 13.062 -4.035 0.858 1.00 88.58 26 A 1 ATOM 182 C CD1 . TYR A 1 26 ? 13.560 -5.346 0.819 1.00 82.62 26 A 1 ATOM 183 C CD2 . TYR A 1 26 ? 13.530 -3.133 1.835 1.00 82.44 26 A 1 ATOM 184 C CE1 . TYR A 1 26 ? 14.558 -5.747 1.724 1.00 81.40 26 A 1 ATOM 185 C CE2 . TYR A 1 26 ? 14.535 -3.531 2.741 1.00 81.52 26 A 1 ATOM 186 C CZ . TYR A 1 26 ? 15.063 -4.836 2.667 1.00 80.79 26 A 1 ATOM 187 O OH . TYR A 1 26 ? 16.095 -5.205 3.474 1.00 77.56 26 A 1 ATOM 188 N N . GLN A 1 27 ? 13.210 -4.703 -2.924 1.00 96.86 27 A 1 ATOM 189 C CA . GLN A 1 27 ? 14.035 -5.579 -3.764 1.00 96.28 27 A 1 ATOM 190 C C . GLN A 1 27 ? 14.823 -4.798 -4.827 1.00 96.07 27 A 1 ATOM 191 O O . GLN A 1 27 ? 15.976 -5.122 -5.108 1.00 93.52 27 A 1 ATOM 192 C CB . GLN A 1 27 ? 13.144 -6.625 -4.445 1.00 95.41 27 A 1 ATOM 193 C CG . GLN A 1 27 ? 12.582 -7.657 -3.456 1.00 89.40 27 A 1 ATOM 194 C CD . GLN A 1 27 ? 11.742 -8.724 -4.154 1.00 81.40 27 A 1 ATOM 195 O OE1 . GLN A 1 27 ? 11.955 -9.082 -5.306 1.00 75.24 27 A 1 ATOM 196 N NE2 . GLN A 1 27 ? 10.771 -9.302 -3.496 1.00 71.77 27 A 1 ATOM 197 N N . GLY A 1 28 ? 14.240 -3.726 -5.404 1.00 95.96 28 A 1 ATOM 198 C CA . GLY A 1 28 ? 14.931 -2.853 -6.356 1.00 95.28 28 A 1 ATOM 199 C C . GLY A 1 28 ? 16.036 -1.996 -5.732 1.00 94.49 28 A 1 ATOM 200 O O . GLY A 1 28 ? 16.938 -1.564 -6.453 1.00 91.68 28 A 1 ATOM 201 N N . ALA A 1 29 ? 15.995 -1.739 -4.413 1.00 94.77 29 A 1 ATOM 202 C CA . ALA A 1 29 ? 17.015 -0.982 -3.683 1.00 93.78 29 A 1 ATOM 203 C C . ALA A 1 29 ? 18.203 -1.848 -3.216 1.00 92.59 29 A 1 ATOM 204 O O . ALA A 1 29 ? 19.240 -1.294 -2.853 1.00 89.33 29 A 1 ATOM 205 C CB . ALA A 1 29 ? 16.339 -0.266 -2.507 1.00 92.35 29 A 1 ATOM 206 N N . GLU A 1 30 ? 18.070 -3.175 -3.229 1.00 91.89 30 A 1 ATOM 207 C CA . GLU A 1 30 ? 19.132 -4.130 -2.866 1.00 89.66 30 A 1 ATOM 208 C C . GLU A 1 30 ? 19.996 -4.570 -4.072 1.00 85.46 30 A 1 ATOM 209 O O . GLU A 1 30 ? 20.872 -5.419 -3.926 1.00 77.80 30 A 1 ATOM 210 C CB . GLU A 1 30 ? 18.535 -5.329 -2.102 1.00 86.56 30 A 1 ATOM 211 C CG . GLU A 1 30 ? 17.961 -4.918 -0.735 1.00 78.99 30 A 1 ATOM 212 C CD . GLU A 1 30 ? 17.601 -6.131 0.148 1.00 74.50 30 A 1 ATOM 213 O OE1 . GLU A 1 30 ? 17.971 -6.109 1.347 1.00 66.07 30 A 1 ATOM 214 O OE2 . GLU A 1 30 ? 16.914 -7.054 -0.344 1.00 68.57 30 A 1 ATOM 215 N N . CYS A 1 31 ? 19.794 -3.983 -5.282 1.00 90.93 31 A 1 ATOM 216 C CA . CYS A 1 31 ? 20.603 -4.218 -6.490 1.00 86.82 31 A 1 ATOM 217 C C . CYS A 1 31 ? 21.706 -3.169 -6.677 1.00 79.45 31 A 1 ATOM 218 O O . CYS A 1 31 ? 21.422 -1.971 -6.498 1.00 70.30 31 A 1 ATOM 219 C CB . CYS A 1 31 ? 19.696 -4.279 -7.726 1.00 78.51 31 A 1 ATOM 220 S SG . CYS A 1 31 ? 18.671 -5.779 -7.731 1.00 67.96 31 A 1 ATOM 221 O OXT . CYS A 1 31 ? 22.833 -3.575 -7.037 1.00 64.99 31 A 1 #