# 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_spkb18246 # _entry.id spkb18246 # 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 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 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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 ASN 2 1 n CYS 3 1 n ARG 4 1 n LYS 5 1 n TYR 6 1 n LEU 7 1 n LEU 8 1 n SER 9 1 n GLY 10 1 n LEU 11 1 n ALA 12 1 n VAL 13 1 n PHE 14 1 n GLY 15 1 n LEU 16 1 n ALA 17 1 n ALA 18 1 n THR 19 1 n SER 20 1 n ALA 21 1 n VAL 22 1 n ALA 23 1 n ALA 24 1 n LEU 25 1 n SER 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 @ 2025-07-05 16:33:26)" _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 87.74 _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 75.00 1 1 A ASN 2 2 80.13 1 2 A CYS 3 2 87.38 1 3 A ARG 4 2 79.46 1 4 A LYS 5 2 80.73 1 5 A TYR 6 2 83.13 1 6 A LEU 7 2 84.77 1 7 A LEU 8 2 86.64 1 8 A SER 9 2 89.70 1 9 A GLY 10 2 92.89 1 10 A LEU 11 2 89.25 1 11 A ALA 12 2 95.38 1 12 A VAL 13 2 93.08 1 13 A PHE 14 2 89.65 1 14 A GLY 15 2 94.57 1 15 A LEU 16 2 90.36 1 16 A ALA 17 2 95.41 1 17 A ALA 18 2 95.50 1 18 A THR 19 2 92.10 1 19 A SER 20 2 91.88 1 20 A ALA 21 2 95.27 1 21 A VAL 22 2 93.50 1 22 A ALA 23 2 95.07 1 23 A ALA 24 2 93.70 1 24 A LEU 25 2 86.80 1 25 A SER 26 2 80.48 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 ASN . 2 A 2 A 3 1 n CYS . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n SER . 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 ? -6.394 16.014 4.235 1.00 80.92 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.690 14.749 3.943 1.00 82.98 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.218 14.866 4.311 1.00 83.53 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.500 15.648 3.698 1.00 76.01 1 A 1 ATOM 5 C CB . MET A 1 1 ? -5.792 14.413 2.461 1.00 76.87 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.211 14.548 1.939 1.00 73.57 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.269 14.259 0.167 1.00 66.17 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.046 15.766 -0.381 1.00 59.97 1 A 1 ATOM 9 N N . ASN A 1 2 ? -3.783 14.127 5.286 1.00 84.64 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -2.392 14.167 5.736 1.00 86.22 2 A 1 ATOM 11 C C . ASN A 1 2 ? -1.857 12.756 5.971 1.00 87.58 2 A 1 ATOM 12 O O . ASN A 1 2 ? -1.337 12.120 5.055 1.00 85.25 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -2.302 15.010 7.006 1.00 81.01 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -3.469 14.750 7.944 1.00 75.42 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -3.444 13.830 8.730 1.00 70.97 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -4.497 15.573 7.855 1.00 69.93 2 A 1 ATOM 17 N N . CYS A 1 3 ? -2.003 12.266 7.196 1.00 90.43 3 A 1 ATOM 18 C CA . CYS A 1 3 ? -1.528 10.923 7.545 1.00 91.01 3 A 1 ATOM 19 C C . CYS A 1 3 ? -2.550 9.855 7.160 1.00 92.53 3 A 1 ATOM 20 O O . CYS A 1 3 ? -2.196 8.711 6.887 1.00 89.92 3 A 1 ATOM 21 C CB . CYS A 1 3 ? -1.246 10.859 9.044 1.00 85.69 3 A 1 ATOM 22 S SG . CYS A 1 3 ? 0.081 11.993 9.537 1.00 74.69 3 A 1 ATOM 23 N N . ARG A 1 4 ? -3.810 10.243 7.152 1.00 88.94 4 A 1 ATOM 24 C CA . ARG A 1 4 ? -4.894 9.312 6.825 1.00 91.06 4 A 1 ATOM 25 C C . ARG A 1 4 ? -4.745 8.768 5.410 1.00 92.17 4 A 1 ATOM 26 O O . ARG A 1 4 ? -4.886 7.572 5.168 1.00 90.42 4 A 1 ATOM 27 C CB . ARG A 1 4 ? -6.233 10.037 6.969 1.00 89.80 4 A 1 ATOM 28 C CG . ARG A 1 4 ? -7.368 9.062 7.154 1.00 82.75 4 A 1 ATOM 29 C CD . ARG A 1 4 ? -8.701 9.757 6.971 1.00 78.79 4 A 1 ATOM 30 N NE . ARG A 1 4 ? -9.373 9.234 5.788 1.00 70.74 4 A 1 ATOM 31 C CZ . ARG A 1 4 ? -10.613 9.541 5.448 1.00 67.81 4 A 1 ATOM 32 N NH1 . ARG A 1 4 ? -11.318 10.408 6.143 1.00 62.00 4 A 1 ATOM 33 N NH2 . ARG A 1 4 ? -11.162 8.977 4.393 1.00 59.61 4 A 1 ATOM 34 N N . LYS A 1 5 ? -4.449 9.638 4.474 1.00 89.02 5 A 1 ATOM 35 C CA . LYS A 1 5 ? -4.273 9.244 3.074 1.00 88.44 5 A 1 ATOM 36 C C . LYS A 1 5 ? -3.052 8.340 2.914 1.00 89.04 5 A 1 ATOM 37 O O . LYS A 1 5 ? -3.065 7.401 2.122 1.00 87.56 5 A 1 ATOM 38 C CB . LYS A 1 5 ? -4.131 10.491 2.212 1.00 86.28 5 A 1 ATOM 39 C CG . LYS A 1 5 ? -4.743 10.299 0.841 1.00 78.78 5 A 1 ATOM 40 C CD . LYS A 1 5 ? -4.058 11.166 -0.188 1.00 76.49 5 A 1 ATOM 41 C CE . LYS A 1 5 ? -4.429 10.725 -1.597 1.00 68.30 5 A 1 ATOM 42 N NZ . LYS A 1 5 ? -3.248 10.756 -2.479 1.00 62.63 5 A 1 ATOM 43 N N . TYR A 1 6 ? -2.020 8.630 3.669 1.00 89.09 6 A 1 ATOM 44 C CA . TYR A 1 6 ? -0.791 7.836 3.626 1.00 88.15 6 A 1 ATOM 45 C C . TYR A 1 6 ? -1.046 6.409 4.097 1.00 89.38 6 A 1 ATOM 46 O O . TYR A 1 6 ? -0.506 5.458 3.533 1.00 87.87 6 A 1 ATOM 47 C CB . TYR A 1 6 ? 0.270 8.487 4.511 1.00 87.12 6 A 1 ATOM 48 C CG . TYR A 1 6 ? 1.157 9.440 3.736 1.00 83.08 6 A 1 ATOM 49 C CD1 . TYR A 1 6 ? 0.661 10.637 3.237 1.00 80.02 6 A 1 ATOM 50 C CD2 . TYR A 1 6 ? 2.493 9.123 3.509 1.00 80.14 6 A 1 ATOM 51 C CE1 . TYR A 1 6 ? 1.474 11.506 2.524 1.00 78.31 6 A 1 ATOM 52 C CE2 . TYR A 1 6 ? 3.319 9.989 2.800 1.00 79.92 6 A 1 ATOM 53 C CZ . TYR A 1 6 ? 2.804 11.181 2.312 1.00 78.31 6 A 1 ATOM 54 O OH . TYR A 1 6 ? 3.614 12.036 1.607 1.00 76.12 6 A 1 ATOM 55 N N . LEU A 1 7 ? -1.872 6.263 5.121 1.00 89.89 7 A 1 ATOM 56 C CA . LEU A 1 7 ? -2.199 4.944 5.658 1.00 89.12 7 A 1 ATOM 57 C C . LEU A 1 7 ? -2.948 4.103 4.627 1.00 90.87 7 A 1 ATOM 58 O O . LEU A 1 7 ? -2.606 2.941 4.394 1.00 89.98 7 A 1 ATOM 59 C CB . LEU A 1 7 ? -3.049 5.109 6.917 1.00 88.99 7 A 1 ATOM 60 C CG . LEU A 1 7 ? -2.224 5.397 8.169 1.00 79.32 7 A 1 ATOM 61 C CD1 . LEU A 1 7 ? -3.048 6.156 9.195 1.00 75.51 7 A 1 ATOM 62 C CD2 . LEU A 1 7 ? -1.729 4.088 8.777 1.00 74.46 7 A 1 ATOM 63 N N . LEU A 1 8 ? -3.958 4.701 4.013 1.00 91.99 8 A 1 ATOM 64 C CA . LEU A 1 8 ? -4.752 4.010 2.998 1.00 91.34 8 A 1 ATOM 65 C C . LEU A 1 8 ? -3.916 3.678 1.770 1.00 92.54 8 A 1 ATOM 66 O O . LEU A 1 8 ? -3.954 2.555 1.263 1.00 91.41 8 A 1 ATOM 67 C CB . LEU A 1 8 ? -5.937 4.894 2.604 1.00 90.19 8 A 1 ATOM 68 C CG . LEU A 1 8 ? -7.254 4.440 3.224 1.00 81.52 8 A 1 ATOM 69 C CD1 . LEU A 1 8 ? -8.147 5.630 3.529 1.00 77.48 8 A 1 ATOM 70 C CD2 . LEU A 1 8 ? -7.962 3.483 2.279 1.00 76.62 8 A 1 ATOM 71 N N . SER A 1 9 ? -3.158 4.652 1.305 1.00 93.12 9 A 1 ATOM 72 C CA . SER A 1 9 ? -2.309 4.470 0.131 1.00 92.51 9 A 1 ATOM 73 C C . SER A 1 9 ? -1.210 3.450 0.409 1.00 93.49 9 A 1 ATOM 74 O O . SER A 1 9 ? -0.901 2.609 -0.432 1.00 91.85 9 A 1 ATOM 75 C CB . SER A 1 9 ? -1.697 5.808 -0.272 1.00 90.47 9 A 1 ATOM 76 O OG . SER A 1 9 ? -1.352 5.791 -1.637 1.00 76.76 9 A 1 ATOM 77 N N . GLY A 1 10 ? -0.629 3.528 1.602 1.00 92.13 10 A 1 ATOM 78 C CA . GLY A 1 10 ? 0.430 2.600 1.988 1.00 92.38 10 A 1 ATOM 79 C C . GLY A 1 10 ? -0.063 1.167 2.038 1.00 94.07 10 A 1 ATOM 80 O O . GLY A 1 10 ? 0.614 0.249 1.580 1.00 93.00 10 A 1 ATOM 81 N N . LEU A 1 11 ? -1.249 0.975 2.585 1.00 94.19 11 A 1 ATOM 82 C CA . LEU A 1 11 ? -1.844 -0.357 2.691 1.00 93.97 11 A 1 ATOM 83 C C . LEU A 1 11 ? -2.128 -0.938 1.312 1.00 95.28 11 A 1 ATOM 84 O O . LEU A 1 11 ? -1.864 -2.113 1.054 1.00 94.07 11 A 1 ATOM 85 C CB . LEU A 1 11 ? -3.131 -0.265 3.507 1.00 92.69 11 A 1 ATOM 86 C CG . LEU A 1 11 ? -3.250 -1.350 4.571 1.00 84.16 11 A 1 ATOM 87 C CD1 . LEU A 1 11 ? -4.146 -0.879 5.707 1.00 79.86 11 A 1 ATOM 88 C CD2 . LEU A 1 11 ? -3.786 -2.634 3.978 1.00 79.78 11 A 1 ATOM 89 N N . ALA A 1 12 ? -2.668 -0.111 0.425 1.00 95.52 12 A 1 ATOM 90 C CA . ALA A 1 12 ? -2.980 -0.538 -0.936 1.00 95.68 12 A 1 ATOM 91 C C . ALA A 1 12 ? -1.714 -0.899 -1.706 1.00 96.45 12 A 1 ATOM 92 O O . ALA A 1 12 ? -1.668 -1.917 -2.397 1.00 94.84 12 A 1 ATOM 93 C CB . ALA A 1 12 ? -3.741 0.574 -1.652 1.00 94.42 12 A 1 ATOM 94 N N . VAL A 1 13 ? -0.693 -0.072 -1.578 1.00 94.71 13 A 1 ATOM 95 C CA . VAL A 1 13 ? 0.580 -0.301 -2.265 1.00 94.90 13 A 1 ATOM 96 C C . VAL A 1 13 ? 1.253 -1.566 -1.745 1.00 95.47 13 A 1 ATOM 97 O O . VAL A 1 13 ? 1.744 -2.386 -2.524 1.00 94.34 13 A 1 ATOM 98 C CB . VAL A 1 13 ? 1.517 0.907 -2.087 1.00 93.49 13 A 1 ATOM 99 C CG1 . VAL A 1 13 ? 2.896 0.610 -2.656 1.00 89.30 13 A 1 ATOM 100 C CG2 . VAL A 1 13 ? 0.932 2.129 -2.778 1.00 89.36 13 A 1 ATOM 101 N N . PHE A 1 14 ? 1.273 -1.718 -0.430 1.00 94.74 14 A 1 ATOM 102 C CA . PHE A 1 14 ? 1.888 -2.888 0.191 1.00 94.30 14 A 1 ATOM 103 C C . PHE A 1 14 ? 1.152 -4.161 -0.189 1.00 95.19 14 A 1 ATOM 104 O O . PHE A 1 14 ? 1.771 -5.176 -0.500 1.00 93.91 14 A 1 ATOM 105 C CB . PHE A 1 14 ? 1.887 -2.721 1.708 1.00 93.17 14 A 1 ATOM 106 C CG . PHE A 1 14 ? 3.280 -2.594 2.275 1.00 89.37 14 A 1 ATOM 107 C CD1 . PHE A 1 14 ? 4.009 -1.427 2.097 1.00 86.27 14 A 1 ATOM 108 C CD2 . PHE A 1 14 ? 3.843 -3.648 2.981 1.00 86.32 14 A 1 ATOM 109 C CE1 . PHE A 1 14 ? 5.292 -1.308 2.616 1.00 84.35 14 A 1 ATOM 110 C CE2 . PHE A 1 14 ? 5.126 -3.533 3.506 1.00 83.88 14 A 1 ATOM 111 C CZ . PHE A 1 14 ? 5.854 -2.362 3.323 1.00 84.70 14 A 1 ATOM 112 N N . GLY A 1 15 ? -0.168 -4.100 -0.172 1.00 94.61 15 A 1 ATOM 113 C CA . GLY A 1 15 ? -0.979 -5.256 -0.528 1.00 94.29 15 A 1 ATOM 114 C C . GLY A 1 15 ? -0.798 -5.657 -1.979 1.00 95.10 15 A 1 ATOM 115 O O . GLY A 1 15 ? -0.649 -6.839 -2.295 1.00 94.28 15 A 1 ATOM 116 N N . LEU A 1 16 ? -0.799 -4.673 -2.859 1.00 95.61 16 A 1 ATOM 117 C CA . LEU A 1 16 ? -0.631 -4.922 -4.292 1.00 94.93 16 A 1 ATOM 118 C C . LEU A 1 16 ? 0.767 -5.441 -4.597 1.00 95.54 16 A 1 ATOM 119 O O . LEU A 1 16 ? 0.937 -6.390 -5.366 1.00 94.50 16 A 1 ATOM 120 C CB . LEU A 1 16 ? -0.901 -3.630 -5.066 1.00 93.80 16 A 1 ATOM 121 C CG . LEU A 1 16 ? -1.828 -3.827 -6.264 1.00 84.84 16 A 1 ATOM 122 C CD1 . LEU A 1 16 ? -2.645 -2.569 -6.510 1.00 81.27 16 A 1 ATOM 123 C CD2 . LEU A 1 16 ? -1.041 -4.194 -7.499 1.00 82.40 16 A 1 ATOM 124 N N . ALA A 1 17 ? 1.772 -4.828 -3.981 1.00 95.93 17 A 1 ATOM 125 C CA . ALA A 1 17 ? 3.158 -5.236 -4.189 1.00 95.69 17 A 1 ATOM 126 C C . ALA A 1 17 ? 3.391 -6.656 -3.685 1.00 96.10 17 A 1 ATOM 127 O O . ALA A 1 17 ? 4.028 -7.464 -4.360 1.00 94.79 17 A 1 ATOM 128 C CB . ALA A 1 17 ? 4.087 -4.262 -3.474 1.00 94.55 17 A 1 ATOM 129 N N . ALA A 1 18 ? 2.872 -6.960 -2.507 1.00 95.96 18 A 1 ATOM 130 C CA . ALA A 1 18 ? 3.022 -8.285 -1.919 1.00 95.84 18 A 1 ATOM 131 C C . ALA A 1 18 ? 2.297 -9.336 -2.750 1.00 96.22 18 A 1 ATOM 132 O O . ALA A 1 18 ? 2.831 -10.416 -3.003 1.00 94.95 18 A 1 ATOM 133 C CB . ALA A 1 18 ? 2.484 -8.275 -0.493 1.00 94.55 18 A 1 ATOM 134 N N . THR A 1 19 ? 1.086 -9.022 -3.179 1.00 95.36 19 A 1 ATOM 135 C CA . THR A 1 19 ? 0.291 -9.940 -4.002 1.00 94.77 19 A 1 ATOM 136 C C . THR A 1 19 ? 0.971 -10.204 -5.338 1.00 95.46 19 A 1 ATOM 137 O O . THR A 1 19 ? 1.011 -11.343 -5.808 1.00 94.42 19 A 1 ATOM 138 C CB . THR A 1 19 ? -1.102 -9.354 -4.244 1.00 93.07 19 A 1 ATOM 139 O OG1 . THR A 1 19 ? -1.782 -9.242 -3.001 1.00 86.64 19 A 1 ATOM 140 C CG2 . THR A 1 19 ? -1.927 -10.247 -5.147 1.00 84.98 19 A 1 ATOM 141 N N . SER A 1 20 ? 1.504 -9.160 -5.948 1.00 95.52 20 A 1 ATOM 142 C CA . SER A 1 20 ? 2.190 -9.275 -7.233 1.00 94.79 20 A 1 ATOM 143 C C . SER A 1 20 ? 3.438 -10.141 -7.104 1.00 95.30 20 A 1 ATOM 144 O O . SER A 1 20 ? 3.706 -10.994 -7.951 1.00 93.93 20 A 1 ATOM 145 C CB . SER A 1 20 ? 2.569 -7.890 -7.747 1.00 93.10 20 A 1 ATOM 146 O OG . SER A 1 20 ? 2.889 -7.941 -9.116 1.00 78.62 20 A 1 ATOM 147 N N . ALA A 1 21 ? 4.199 -9.927 -6.035 1.00 95.48 21 A 1 ATOM 148 C CA . ALA A 1 21 ? 5.419 -10.692 -5.796 1.00 95.32 21 A 1 ATOM 149 C C . ALA A 1 21 ? 5.101 -12.162 -5.536 1.00 96.13 21 A 1 ATOM 150 O O . ALA A 1 21 ? 5.771 -13.052 -6.058 1.00 95.15 21 A 1 ATOM 151 C CB . ALA A 1 21 ? 6.172 -10.099 -4.614 1.00 94.28 21 A 1 ATOM 152 N N . VAL A 1 22 ? 4.082 -12.410 -4.735 1.00 95.52 22 A 1 ATOM 153 C CA . VAL A 1 22 ? 3.670 -13.778 -4.414 1.00 95.30 22 A 1 ATOM 154 C C . VAL A 1 22 ? 3.127 -14.485 -5.647 1.00 95.96 22 A 1 ATOM 155 O O . VAL A 1 22 ? 3.432 -15.653 -5.887 1.00 95.51 22 A 1 ATOM 156 C CB . VAL A 1 22 ? 2.612 -13.773 -3.305 1.00 93.74 22 A 1 ATOM 157 C CG1 . VAL A 1 22 ? 2.069 -15.173 -3.070 1.00 89.01 22 A 1 ATOM 158 C CG2 . VAL A 1 22 ? 3.204 -13.225 -2.019 1.00 89.47 22 A 1 ATOM 159 N N . ALA A 1 23 ? 2.323 -13.779 -6.432 1.00 95.77 23 A 1 ATOM 160 C CA . ALA A 1 23 ? 1.736 -14.346 -7.646 1.00 95.26 23 A 1 ATOM 161 C C . ALA A 1 23 ? 2.815 -14.711 -8.661 1.00 95.69 23 A 1 ATOM 162 O O . ALA A 1 23 ? 2.721 -15.734 -9.336 1.00 94.49 23 A 1 ATOM 163 C CB . ALA A 1 23 ? 0.758 -13.353 -8.259 1.00 94.14 23 A 1 ATOM 164 N N . ALA A 1 24 ? 3.836 -13.878 -8.769 1.00 94.72 24 A 1 ATOM 165 C CA . ALA A 1 24 ? 4.927 -14.119 -9.712 1.00 94.18 24 A 1 ATOM 166 C C . ALA A 1 24 ? 5.827 -15.259 -9.245 1.00 94.35 24 A 1 ATOM 167 O O . ALA A 1 24 ? 6.306 -16.052 -10.054 1.00 92.21 24 A 1 ATOM 168 C CB . ALA A 1 24 ? 5.745 -12.846 -9.884 1.00 93.04 24 A 1 ATOM 169 N N . LEU A 1 25 ? 6.065 -15.322 -7.934 1.00 93.88 25 A 1 ATOM 170 C CA . LEU A 1 25 ? 6.910 -16.371 -7.361 1.00 92.77 25 A 1 ATOM 171 C C . LEU A 1 25 ? 6.141 -17.664 -7.142 1.00 93.08 25 A 1 ATOM 172 O O . LEU A 1 25 ? 6.633 -18.749 -7.464 1.00 91.06 25 A 1 ATOM 173 C CB . LEU A 1 25 ? 7.497 -15.879 -6.035 1.00 90.74 25 A 1 ATOM 174 C CG . LEU A 1 25 ? 8.844 -15.183 -6.195 1.00 82.87 25 A 1 ATOM 175 C CD1 . LEU A 1 25 ? 8.940 -13.958 -5.300 1.00 75.50 25 A 1 ATOM 176 C CD2 . LEU A 1 25 ? 9.963 -16.163 -5.864 1.00 74.48 25 A 1 ATOM 177 N N . SER A 1 26 ? 4.947 -17.550 -6.574 1.00 88.13 26 A 1 ATOM 178 C CA . SER A 1 26 ? 4.110 -18.710 -6.273 1.00 86.08 26 A 1 ATOM 179 C C . SER A 1 26 ? 3.517 -19.302 -7.538 1.00 82.80 26 A 1 ATOM 180 O O . SER A 1 26 ? 2.389 -18.955 -7.905 1.00 77.84 26 A 1 ATOM 181 C CB . SER A 1 26 ? 3.004 -18.332 -5.305 1.00 81.10 26 A 1 ATOM 182 O OG . SER A 1 26 ? 2.258 -19.482 -4.955 1.00 73.41 26 A 1 ATOM 183 O OXT . SER A 1 26 ? 4.197 -20.131 -8.123 1.00 74.00 26 A 1 #