# 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_spkb11062 # _entry.id spkb11062 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)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" "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" "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 HIS 4 1 n PHE 5 1 n GLY 6 1 n SER 7 1 n CYS 8 1 n LEU 9 1 n SER 10 1 n GLY 11 1 n CYS 12 1 n LEU 13 1 n ALA 14 1 n LEU 15 1 n LEU 16 1 n VAL 17 1 n LEU 18 1 n LEU 19 1 n PRO 20 1 n SER 21 1 n LEU 22 1 n SER 23 1 n LEU 24 1 n ALA 25 # _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 @ 2025-07-04 03:43:03)" _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 85.15 _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 67.99 1 1 A GLU 2 2 67.72 1 2 A LEU 3 2 77.27 1 3 A HIS 4 2 74.24 1 4 A PHE 5 2 80.71 1 5 A GLY 6 2 86.98 1 6 A SER 7 2 86.65 1 7 A CYS 8 2 87.73 1 8 A LEU 9 2 89.04 1 9 A SER 10 2 90.35 1 10 A GLY 11 2 91.20 1 11 A CYS 12 2 90.69 1 12 A LEU 13 2 91.05 1 13 A ALA 14 2 93.54 1 14 A LEU 15 2 91.81 1 15 A LEU 16 2 91.42 1 16 A VAL 17 2 92.37 1 17 A LEU 18 2 91.89 1 18 A LEU 19 2 90.35 1 19 A PRO 20 2 92.61 1 20 A SER 21 2 91.00 1 21 A LEU 22 2 87.83 1 22 A SER 23 2 86.23 1 23 A LEU 24 2 81.04 1 24 A ALA 25 2 75.48 1 25 # _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 HIS . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n PRO . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n ALA . 25 A 25 # _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 ? -4.546 -18.129 1.275 1.00 71.26 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.927 -17.144 2.185 1.00 76.04 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.430 -17.200 1.923 1.00 77.52 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.782 -18.143 2.353 1.00 72.83 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.282 -17.491 3.643 1.00 69.94 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.178 -16.294 4.590 1.00 63.83 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.666 -16.743 6.283 1.00 59.27 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.580 -15.269 6.778 1.00 53.22 1 A 1 ATOM 9 N N . GLU A 1 2 ? -1.913 -16.285 1.131 1.00 72.78 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -0.486 -16.278 0.805 1.00 76.20 2 A 1 ATOM 11 C C . GLU A 1 2 ? 0.302 -15.778 2.018 1.00 76.52 2 A 1 ATOM 12 O O . GLU A 1 2 ? 0.016 -14.706 2.558 1.00 73.81 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -0.211 -15.424 -0.430 1.00 71.57 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -0.765 -16.076 -1.700 1.00 63.84 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -0.283 -15.327 -2.938 1.00 61.36 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? 0.718 -15.773 -3.530 1.00 55.18 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -0.902 -14.297 -3.261 1.00 58.18 2 A 1 ATOM 18 N N . LEU A 1 3 ? 1.286 -16.558 2.453 1.00 80.67 3 A 1 ATOM 19 C CA . LEU A 1 3 ? 2.148 -16.264 3.607 1.00 82.67 3 A 1 ATOM 20 C C . LEU A 1 3 ? 3.192 -15.176 3.289 1.00 84.72 3 A 1 ATOM 21 O O . LEU A 1 3 ? 4.192 -15.035 3.990 1.00 81.66 3 A 1 ATOM 22 C CB . LEU A 1 3 ? 2.800 -17.579 4.076 1.00 80.89 3 A 1 ATOM 23 C CG . LEU A 1 3 ? 1.815 -18.569 4.713 1.00 72.88 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? 2.454 -19.951 4.792 1.00 68.01 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? 1.432 -18.135 6.126 1.00 66.69 3 A 1 ATOM 26 N N . HIS A 1 4 ? 2.978 -14.398 2.237 1.00 81.70 4 A 1 ATOM 27 C CA . HIS A 1 4 ? 3.901 -13.362 1.793 1.00 83.81 4 A 1 ATOM 28 C C . HIS A 1 4 ? 3.605 -12.040 2.507 1.00 85.58 4 A 1 ATOM 29 O O . HIS A 1 4 ? 3.014 -11.118 1.950 1.00 83.38 4 A 1 ATOM 30 C CB . HIS A 1 4 ? 3.860 -13.258 0.269 1.00 80.28 4 A 1 ATOM 31 C CG . HIS A 1 4 ? 4.531 -14.418 -0.400 1.00 72.98 4 A 1 ATOM 32 N ND1 . HIS A 1 4 ? 5.852 -14.468 -0.771 1.00 64.39 4 A 1 ATOM 33 C CD2 . HIS A 1 4 ? 3.979 -15.622 -0.720 1.00 63.98 4 A 1 ATOM 34 C CE1 . HIS A 1 4 ? 6.082 -15.676 -1.304 1.00 62.49 4 A 1 ATOM 35 N NE2 . HIS A 1 4 ? 4.970 -16.407 -1.288 1.00 63.82 4 A 1 ATOM 36 N N . PHE A 1 5 ? 4.058 -11.929 3.760 1.00 84.21 5 A 1 ATOM 37 C CA . PHE A 1 5 ? 3.952 -10.712 4.570 1.00 85.79 5 A 1 ATOM 38 C C . PHE A 1 5 ? 4.588 -9.486 3.898 1.00 87.57 5 A 1 ATOM 39 O O . PHE A 1 5 ? 4.120 -8.367 4.110 1.00 85.82 5 A 1 ATOM 40 C CB . PHE A 1 5 ? 4.603 -10.965 5.933 1.00 84.51 5 A 1 ATOM 41 C CG . PHE A 1 5 ? 3.754 -11.814 6.853 1.00 80.65 5 A 1 ATOM 42 C CD1 . PHE A 1 5 ? 2.786 -11.196 7.660 1.00 77.50 5 A 1 ATOM 43 C CD2 . PHE A 1 5 ? 3.913 -13.201 6.905 1.00 76.76 5 A 1 ATOM 44 C CE1 . PHE A 1 5 ? 1.979 -11.955 8.514 1.00 75.09 5 A 1 ATOM 45 C CE2 . PHE A 1 5 ? 3.106 -13.973 7.754 1.00 75.92 5 A 1 ATOM 46 C CZ . PHE A 1 5 ? 2.139 -13.350 8.559 1.00 74.03 5 A 1 ATOM 47 N N . GLY A 1 6 ? 5.603 -9.669 3.048 1.00 86.81 6 A 1 ATOM 48 C CA . GLY A 1 6 ? 6.254 -8.582 2.307 1.00 87.03 6 A 1 ATOM 49 C C . GLY A 1 6 ? 5.305 -7.832 1.367 1.00 88.31 6 A 1 ATOM 50 O O . GLY A 1 6 ? 5.326 -6.604 1.329 1.00 85.77 6 A 1 ATOM 51 N N . SER A 1 7 ? 4.420 -8.529 0.660 1.00 88.52 7 A 1 ATOM 52 C CA . SER A 1 7 ? 3.419 -7.913 -0.220 1.00 89.38 7 A 1 ATOM 53 C C . SER A 1 7 ? 2.367 -7.137 0.573 1.00 90.36 7 A 1 ATOM 54 O O . SER A 1 7 ? 1.967 -6.051 0.160 1.00 88.25 7 A 1 ATOM 55 C CB . SER A 1 7 ? 2.737 -8.977 -1.074 1.00 86.95 7 A 1 ATOM 56 O OG . SER A 1 7 ? 3.700 -9.661 -1.848 1.00 76.43 7 A 1 ATOM 57 N N . CYS A 1 8 ? 1.956 -7.648 1.739 1.00 88.10 8 A 1 ATOM 58 C CA . CYS A 1 8 ? 1.019 -6.962 2.629 1.00 90.00 8 A 1 ATOM 59 C C . CYS A 1 8 ? 1.615 -5.652 3.169 1.00 91.32 8 A 1 ATOM 60 O O . CYS A 1 8 ? 0.966 -4.611 3.123 1.00 88.86 8 A 1 ATOM 61 C CB . CYS A 1 8 ? 0.624 -7.915 3.761 1.00 87.49 8 A 1 ATOM 62 S SG . CYS A 1 8 ? -0.712 -7.188 4.743 1.00 80.62 8 A 1 ATOM 63 N N . LEU A 1 9 ? 2.872 -5.676 3.605 1.00 92.04 9 A 1 ATOM 64 C CA . LEU A 1 9 ? 3.597 -4.494 4.079 1.00 92.09 9 A 1 ATOM 65 C C . LEU A 1 9 ? 3.712 -3.421 2.993 1.00 93.12 9 A 1 ATOM 66 O O . LEU A 1 9 ? 3.461 -2.249 3.264 1.00 93.12 9 A 1 ATOM 67 C CB . LEU A 1 9 ? 4.985 -4.925 4.580 1.00 91.37 9 A 1 ATOM 68 C CG . LEU A 1 9 ? 5.122 -4.825 6.104 1.00 85.73 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? 6.324 -5.634 6.571 1.00 82.54 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? 5.299 -3.381 6.544 1.00 82.34 9 A 1 ATOM 71 N N . SER A 1 10 ? 4.026 -3.806 1.757 1.00 92.45 10 A 1 ATOM 72 C CA . SER A 1 10 ? 4.085 -2.888 0.616 1.00 92.94 10 A 1 ATOM 73 C C . SER A 1 10 ? 2.728 -2.230 0.341 1.00 93.74 10 A 1 ATOM 74 O O . SER A 1 10 ? 2.660 -1.024 0.124 1.00 91.92 10 A 1 ATOM 75 C CB . SER A 1 10 ? 4.578 -3.641 -0.615 1.00 91.07 10 A 1 ATOM 76 O OG . SER A 1 10 ? 4.808 -2.737 -1.671 1.00 79.97 10 A 1 ATOM 77 N N . GLY A 1 11 ? 1.638 -2.984 0.421 1.00 90.49 11 A 1 ATOM 78 C CA . GLY A 1 11 ? 0.277 -2.460 0.294 1.00 90.53 11 A 1 ATOM 79 C C . GLY A 1 11 ? -0.077 -1.462 1.399 1.00 92.79 11 A 1 ATOM 80 O O . GLY A 1 11 ? -0.619 -0.397 1.113 1.00 91.01 11 A 1 ATOM 81 N N . CYS A 1 12 ? 0.286 -1.750 2.651 1.00 91.02 12 A 1 ATOM 82 C CA . CYS A 1 12 ? 0.075 -0.839 3.776 1.00 92.23 12 A 1 ATOM 83 C C . CYS A 1 12 ? 0.846 0.477 3.607 1.00 93.55 12 A 1 ATOM 84 O O . CYS A 1 12 ? 0.303 1.542 3.879 1.00 92.17 12 A 1 ATOM 85 C CB . CYS A 1 12 ? 0.485 -1.535 5.078 1.00 90.08 12 A 1 ATOM 86 S SG . CYS A 1 12 ? -0.684 -2.856 5.497 1.00 85.07 12 A 1 ATOM 87 N N . LEU A 1 13 ? 2.082 0.420 3.121 1.00 93.74 13 A 1 ATOM 88 C CA . LEU A 1 13 ? 2.881 1.616 2.837 1.00 93.87 13 A 1 ATOM 89 C C . LEU A 1 13 ? 2.261 2.460 1.718 1.00 94.80 13 A 1 ATOM 90 O O . LEU A 1 13 ? 2.228 3.683 1.829 1.00 94.79 13 A 1 ATOM 91 C CB . LEU A 1 13 ? 4.310 1.203 2.466 1.00 93.41 13 A 1 ATOM 92 C CG . LEU A 1 13 ? 5.152 0.717 3.652 1.00 87.83 13 A 1 ATOM 93 C CD1 . LEU A 1 13 ? 6.476 0.160 3.137 1.00 84.89 13 A 1 ATOM 94 C CD2 . LEU A 1 13 ? 5.449 1.835 4.643 1.00 85.07 13 A 1 ATOM 95 N N . ALA A 1 14 ? 1.725 1.838 0.673 1.00 94.00 14 A 1 ATOM 96 C CA . ALA A 1 14 ? 1.020 2.548 -0.392 1.00 93.68 14 A 1 ATOM 97 C C . ALA A 1 14 ? -0.205 3.306 0.147 1.00 94.51 14 A 1 ATOM 98 O O . ALA A 1 14 ? -0.397 4.474 -0.188 1.00 92.78 14 A 1 ATOM 99 C CB . ALA A 1 14 ? 0.635 1.550 -1.486 1.00 92.71 14 A 1 ATOM 100 N N . LEU A 1 15 ? -0.985 2.695 1.031 1.00 94.57 15 A 1 ATOM 101 C CA . LEU A 1 15 ? -2.122 3.347 1.689 1.00 94.43 15 A 1 ATOM 102 C C . LEU A 1 15 ? -1.678 4.507 2.587 1.00 95.13 15 A 1 ATOM 103 O O . LEU A 1 15 ? -2.338 5.544 2.616 1.00 94.33 15 A 1 ATOM 104 C CB . LEU A 1 15 ? -2.902 2.312 2.510 1.00 93.93 15 A 1 ATOM 105 C CG . LEU A 1 15 ? -3.677 1.289 1.667 1.00 89.16 15 A 1 ATOM 106 C CD1 . LEU A 1 15 ? -4.258 0.216 2.582 1.00 86.62 15 A 1 ATOM 107 C CD2 . LEU A 1 15 ? -4.820 1.939 0.891 1.00 86.35 15 A 1 ATOM 108 N N . LEU A 1 16 ? -0.548 4.377 3.279 1.00 94.12 16 A 1 ATOM 109 C CA . LEU A 1 16 ? 0.021 5.433 4.118 1.00 93.66 16 A 1 ATOM 110 C C . LEU A 1 16 ? 0.377 6.687 3.307 1.00 94.52 16 A 1 ATOM 111 O O . LEU A 1 16 ? 0.219 7.802 3.797 1.00 94.16 16 A 1 ATOM 112 C CB . LEU A 1 16 ? 1.266 4.882 4.826 1.00 93.15 16 A 1 ATOM 113 C CG . LEU A 1 16 ? 1.729 5.767 5.989 1.00 88.50 16 A 1 ATOM 114 C CD1 . LEU A 1 16 ? 1.115 5.283 7.309 1.00 86.50 16 A 1 ATOM 115 C CD2 . LEU A 1 16 ? 3.248 5.730 6.122 1.00 86.71 16 A 1 ATOM 116 N N . VAL A 1 17 ? 0.841 6.530 2.064 1.00 94.04 17 A 1 ATOM 117 C CA . VAL A 1 17 ? 1.136 7.648 1.151 1.00 93.41 17 A 1 ATOM 118 C C . VAL A 1 17 ? -0.149 8.228 0.555 1.00 93.86 17 A 1 ATOM 119 O O . VAL A 1 17 ? -0.236 9.434 0.313 1.00 92.90 17 A 1 ATOM 120 C CB . VAL A 1 17 ? 2.106 7.185 0.049 1.00 92.55 17 A 1 ATOM 121 C CG1 . VAL A 1 17 ? 2.384 8.277 -0.985 1.00 89.80 17 A 1 ATOM 122 C CG2 . VAL A 1 17 ? 3.452 6.773 0.648 1.00 90.02 17 A 1 ATOM 123 N N . LEU A 1 18 ? -1.164 7.396 0.335 1.00 94.68 18 A 1 ATOM 124 C CA . LEU A 1 18 ? -2.436 7.813 -0.260 1.00 93.91 18 A 1 ATOM 125 C C . LEU A 1 18 ? -3.276 8.656 0.707 1.00 94.51 18 A 1 ATOM 126 O O . LEU A 1 18 ? -3.938 9.606 0.285 1.00 93.50 18 A 1 ATOM 127 C CB . LEU A 1 18 ? -3.168 6.545 -0.735 1.00 93.51 18 A 1 ATOM 128 C CG . LEU A 1 18 ? -3.857 6.717 -2.090 1.00 90.26 18 A 1 ATOM 129 C CD1 . LEU A 1 18 ? -3.836 5.400 -2.868 1.00 87.48 18 A 1 ATOM 130 C CD2 . LEU A 1 18 ? -5.299 7.169 -1.935 1.00 87.28 18 A 1 ATOM 131 N N . LEU A 1 19 ? -3.199 8.370 2.006 1.00 94.25 19 A 1 ATOM 132 C CA . LEU A 1 19 ? -3.933 9.088 3.053 1.00 93.27 19 A 1 ATOM 133 C C . LEU A 1 19 ? -3.642 10.604 3.079 1.00 93.95 19 A 1 ATOM 134 O O . LEU A 1 19 ? -4.594 11.389 3.018 1.00 93.73 19 A 1 ATOM 135 C CB . LEU A 1 19 ? -3.655 8.411 4.406 1.00 92.27 19 A 1 ATOM 136 C CG . LEU A 1 19 ? -4.677 8.785 5.485 1.00 87.73 19 A 1 ATOM 137 C CD1 . LEU A 1 19 ? -5.956 7.959 5.331 1.00 84.25 19 A 1 ATOM 138 C CD2 . LEU A 1 19 ? -4.089 8.521 6.867 1.00 83.33 19 A 1 ATOM 139 N N . PRO A 1 20 ? -2.377 11.077 3.132 1.00 93.62 20 A 1 ATOM 140 C CA . PRO A 1 20 ? -2.083 12.515 3.091 1.00 93.56 20 A 1 ATOM 141 C C . PRO A 1 20 ? -2.447 13.141 1.744 1.00 94.11 20 A 1 ATOM 142 O O . PRO A 1 20 ? -2.873 14.292 1.717 1.00 92.81 20 A 1 ATOM 143 C CB . PRO A 1 20 ? -0.583 12.635 3.388 1.00 91.97 20 A 1 ATOM 144 C CG . PRO A 1 20 ? -0.018 11.290 2.989 1.00 89.67 20 A 1 ATOM 145 C CD . PRO A 1 20 ? -1.160 10.327 3.320 1.00 92.56 20 A 1 ATOM 146 N N . SER A 1 21 ? -2.349 12.409 0.642 1.00 93.14 21 A 1 ATOM 147 C CA . SER A 1 21 ? -2.774 12.891 -0.675 1.00 93.20 21 A 1 ATOM 148 C C . SER A 1 21 ? -4.281 13.155 -0.720 1.00 93.21 21 A 1 ATOM 149 O O . SER A 1 21 ? -4.709 14.154 -1.294 1.00 91.02 21 A 1 ATOM 150 C CB . SER A 1 21 ? -2.396 11.888 -1.764 1.00 91.86 21 A 1 ATOM 151 O OG . SER A 1 21 ? -0.997 11.689 -1.793 1.00 83.54 21 A 1 ATOM 152 N N . LEU A 1 22 ? -5.082 12.308 -0.075 1.00 93.05 22 A 1 ATOM 153 C CA . LEU A 1 22 ? -6.528 12.499 0.048 1.00 91.90 22 A 1 ATOM 154 C C . LEU A 1 22 ? -6.873 13.724 0.901 1.00 92.89 22 A 1 ATOM 155 O O . LEU A 1 22 ? -7.850 14.411 0.622 1.00 91.50 22 A 1 ATOM 156 C CB . LEU A 1 22 ? -7.143 11.224 0.642 1.00 90.81 22 A 1 ATOM 157 C CG . LEU A 1 22 ? -8.676 11.211 0.600 1.00 84.75 22 A 1 ATOM 158 C CD1 . LEU A 1 22 ? -9.191 10.974 -0.821 1.00 79.60 22 A 1 ATOM 159 C CD2 . LEU A 1 22 ? -9.210 10.098 1.500 1.00 78.17 22 A 1 ATOM 160 N N . SER A 1 23 ? -6.071 14.041 1.914 1.00 89.08 23 A 1 ATOM 161 C CA . SER A 1 23 ? -6.268 15.222 2.768 1.00 88.89 23 A 1 ATOM 162 C C . SER A 1 23 ? -6.008 16.547 2.044 1.00 88.66 23 A 1 ATOM 163 O O . SER A 1 23 ? -6.414 17.597 2.543 1.00 87.16 23 A 1 ATOM 164 C CB . SER A 1 23 ? -5.363 15.132 3.997 1.00 86.91 23 A 1 ATOM 165 O OG . SER A 1 23 ? -5.688 16.174 4.906 1.00 76.71 23 A 1 ATOM 166 N N . LEU A 1 24 ? -5.308 16.520 0.916 1.00 87.79 24 A 1 ATOM 167 C CA . LEU A 1 24 ? -5.012 17.696 0.091 1.00 86.45 24 A 1 ATOM 168 C C . LEU A 1 24 ? -6.029 17.887 -1.041 1.00 87.32 24 A 1 ATOM 169 O O . LEU A 1 24 ? -6.012 18.935 -1.687 1.00 85.29 24 A 1 ATOM 170 C CB . LEU A 1 24 ? -3.590 17.560 -0.477 1.00 83.42 24 A 1 ATOM 171 C CG . LEU A 1 24 ? -2.477 17.697 0.573 1.00 76.52 24 A 1 ATOM 172 C CD1 . LEU A 1 24 ? -1.141 17.274 -0.034 1.00 71.41 24 A 1 ATOM 173 C CD2 . LEU A 1 24 ? -2.339 19.139 1.063 1.00 70.11 24 A 1 ATOM 174 N N . ALA A 1 25 ? -6.873 16.897 -1.289 1.00 83.79 25 A 1 ATOM 175 C CA . ALA A 1 25 ? -7.895 16.916 -2.338 1.00 80.59 25 A 1 ATOM 176 C C . ALA A 1 25 ? -9.237 17.386 -1.784 1.00 76.08 25 A 1 ATOM 177 O O . ALA A 1 25 ? -9.920 18.164 -2.486 1.00 72.72 25 A 1 ATOM 178 C CB . ALA A 1 25 ? -8.000 15.522 -2.950 1.00 74.34 25 A 1 ATOM 179 O OXT . ALA A 1 25 ? -9.603 16.937 -0.659 1.00 65.36 25 A 1 #