# 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_spkb21845 # _entry.id spkb21845 # 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" "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 ASN 2 1 n SER 3 1 n PHE 4 1 n THR 5 1 n SER 6 1 n ALA 7 1 n LEU 8 1 n ARG 9 1 n PRO 10 1 n GLY 11 1 n PRO 12 1 n LEU 13 1 n GLY 14 1 n CYS 15 1 n SER 16 1 n LEU 17 1 n ALA 18 1 n LEU 19 1 n LEU 20 1 n LEU 21 1 n VAL 22 1 n VAL 23 1 n ALA 24 1 n THR 25 1 n ALA 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 @ 2025-07-06 19:44:23)" _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 89.43 _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 74.87 1 1 A ASN 2 2 80.30 1 2 A SER 3 2 85.28 1 3 A PHE 4 2 83.20 1 4 A THR 5 2 86.63 1 5 A SER 6 2 87.16 1 6 A ALA 7 2 87.55 1 7 A LEU 8 2 86.10 1 8 A ARG 9 2 81.21 1 9 A PRO 10 2 89.58 1 10 A GLY 11 2 92.48 1 11 A PRO 12 2 93.25 1 12 A LEU 13 2 90.99 1 13 A GLY 14 2 93.77 1 14 A CYS 15 2 91.58 1 15 A SER 16 2 92.45 1 16 A LEU 17 2 92.29 1 17 A ALA 18 2 95.65 1 18 A LEU 19 2 93.34 1 19 A LEU 20 2 92.91 1 20 A LEU 21 2 92.52 1 21 A VAL 22 2 96.58 1 22 A VAL 23 2 96.27 1 23 A ALA 24 2 98.12 1 24 A THR 25 2 95.83 1 25 A ALA 26 2 92.26 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 SER . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n PRO . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n PRO . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n THR . 25 A 25 A 26 1 n ALA . 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 ? -6.184 17.570 7.305 1.00 81.21 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.103 16.101 7.371 1.00 82.30 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.497 15.526 6.093 1.00 82.77 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.210 15.066 5.212 1.00 75.58 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.496 15.505 7.579 1.00 76.39 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.980 15.653 9.003 1.00 73.60 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.594 14.895 9.228 1.00 67.51 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.843 15.193 10.973 1.00 59.59 1 A 1 ATOM 9 N N . ASN A 1 2 ? -4.194 15.574 5.988 1.00 84.34 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -3.486 15.068 4.822 1.00 85.87 2 A 1 ATOM 11 C C . ASN A 1 2 ? -2.293 14.214 5.235 1.00 87.05 2 A 1 ATOM 12 O O . ASN A 1 2 ? -1.321 14.092 4.489 1.00 84.58 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -3.031 16.230 3.946 1.00 81.49 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -2.291 17.293 4.733 1.00 76.77 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -2.830 17.919 5.624 1.00 70.67 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -1.039 17.518 4.375 1.00 71.61 2 A 1 ATOM 17 N N . SER A 1 3 ? -2.378 13.635 6.421 1.00 87.25 3 A 1 ATOM 18 C CA . SER A 1 3 ? -1.300 12.800 6.944 1.00 88.55 3 A 1 ATOM 19 C C . SER A 1 3 ? -1.315 11.420 6.296 1.00 90.07 3 A 1 ATOM 20 O O . SER A 1 3 ? -0.269 10.827 6.056 1.00 86.46 3 A 1 ATOM 21 C CB . SER A 1 3 ? -1.421 12.664 8.457 1.00 85.02 3 A 1 ATOM 22 O OG . SER A 1 3 ? -1.125 13.885 9.101 1.00 74.36 3 A 1 ATOM 23 N N . PHE A 1 4 ? -2.522 10.931 5.995 1.00 88.59 4 A 1 ATOM 24 C CA . PHE A 1 4 ? -2.687 9.622 5.376 1.00 88.40 4 A 1 ATOM 25 C C . PHE A 1 4 ? -2.081 9.593 3.982 1.00 90.89 4 A 1 ATOM 26 O O . PHE A 1 4 ? -1.304 8.700 3.646 1.00 89.26 4 A 1 ATOM 27 C CB . PHE A 1 4 ? -4.166 9.265 5.310 1.00 87.07 4 A 1 ATOM 28 C CG . PHE A 1 4 ? -4.475 7.920 5.914 1.00 81.95 4 A 1 ATOM 29 C CD1 . PHE A 1 4 ? -4.146 6.755 5.247 1.00 78.93 4 A 1 ATOM 30 C CD2 . PHE A 1 4 ? -5.088 7.839 7.155 1.00 79.34 4 A 1 ATOM 31 C CE1 . PHE A 1 4 ? -4.421 5.518 5.801 1.00 76.13 4 A 1 ATOM 32 C CE2 . PHE A 1 4 ? -5.370 6.601 7.717 1.00 78.54 4 A 1 ATOM 33 C CZ . PHE A 1 4 ? -5.037 5.439 7.041 1.00 76.08 4 A 1 ATOM 34 N N . THR A 1 5 ? -2.428 10.570 3.179 1.00 90.32 5 A 1 ATOM 35 C CA . THR A 1 5 ? -1.919 10.672 1.812 1.00 90.10 5 A 1 ATOM 36 C C . THR A 1 5 ? -0.427 10.993 1.797 1.00 90.74 5 A 1 ATOM 37 O O . THR A 1 5 ? 0.303 10.534 0.920 1.00 89.75 5 A 1 ATOM 38 C CB . THR A 1 5 ? -2.672 11.751 1.022 1.00 88.94 5 A 1 ATOM 39 O OG1 . THR A 1 5 ? -3.830 12.168 1.731 1.00 79.70 5 A 1 ATOM 40 C CG2 . THR A 1 5 ? -3.090 11.234 -0.337 1.00 76.84 5 A 1 ATOM 41 N N . SER A 1 6 ? 0.014 11.773 2.762 1.00 90.26 6 A 1 ATOM 42 C CA . SER A 1 6 ? 1.415 12.156 2.865 1.00 90.07 6 A 1 ATOM 43 C C . SER A 1 6 ? 2.271 10.996 3.369 1.00 91.34 6 A 1 ATOM 44 O O . SER A 1 6 ? 3.434 10.866 2.993 1.00 88.80 6 A 1 ATOM 45 C CB . SER A 1 6 ? 1.562 13.357 3.790 1.00 87.40 6 A 1 ATOM 46 O OG . SER A 1 6 ? 2.800 13.988 3.592 1.00 75.09 6 A 1 ATOM 47 N N . ALA A 1 7 ? 1.691 10.157 4.208 1.00 87.34 7 A 1 ATOM 48 C CA . ALA A 1 7 ? 2.394 9.007 4.771 1.00 87.81 7 A 1 ATOM 49 C C . ALA A 1 7 ? 2.344 7.802 3.833 1.00 90.08 7 A 1 ATOM 50 O O . ALA A 1 7 ? 3.142 6.877 3.967 1.00 87.26 7 A 1 ATOM 51 C CB . ALA A 1 7 ? 1.791 8.641 6.118 1.00 85.27 7 A 1 ATOM 52 N N . LEU A 1 8 ? 1.403 7.824 2.897 1.00 90.70 8 A 1 ATOM 53 C CA . LEU A 1 8 ? 1.244 6.736 1.936 1.00 89.76 8 A 1 ATOM 54 C C . LEU A 1 8 ? 2.396 6.678 0.945 1.00 91.64 8 A 1 ATOM 55 O O . LEU A 1 8 ? 2.868 5.598 0.593 1.00 89.55 8 A 1 ATOM 56 C CB . LEU A 1 8 ? -0.079 6.907 1.186 1.00 89.06 8 A 1 ATOM 57 C CG . LEU A 1 8 ? -1.246 6.121 1.772 1.00 83.07 8 A 1 ATOM 58 C CD1 . LEU A 1 8 ? -2.565 6.630 1.210 1.00 79.25 8 A 1 ATOM 59 C CD2 . LEU A 1 8 ? -1.085 4.648 1.460 1.00 75.75 8 A 1 ATOM 60 N N . ARG A 1 9 ? 2.843 7.855 0.500 1.00 92.38 9 A 1 ATOM 61 C CA . ARG A 1 9 ? 3.907 7.941 -0.504 1.00 92.87 9 A 1 ATOM 62 C C . ARG A 1 9 ? 5.303 7.716 0.089 1.00 93.79 9 A 1 ATOM 63 O O . ARG A 1 9 ? 5.913 6.675 -0.163 1.00 92.11 9 A 1 ATOM 64 C CB . ARG A 1 9 ? 3.808 9.275 -1.250 1.00 90.44 9 A 1 ATOM 65 C CG . ARG A 1 9 ? 4.207 9.141 -2.701 1.00 81.11 9 A 1 ATOM 66 C CD . ARG A 1 9 ? 5.022 10.329 -3.155 1.00 78.66 9 A 1 ATOM 67 N NE . ARG A 1 9 ? 4.216 11.533 -3.331 1.00 73.13 9 A 1 ATOM 68 C CZ . ARG A 1 9 ? 4.726 12.749 -3.428 1.00 69.15 9 A 1 ATOM 69 N NH1 . ARG A 1 9 ? 6.024 12.943 -3.345 1.00 64.02 9 A 1 ATOM 70 N NH2 . ARG A 1 9 ? 3.935 13.785 -3.609 1.00 65.66 9 A 1 ATOM 71 N N . PRO A 1 10 ? 5.795 8.676 0.882 1.00 91.14 10 A 1 ATOM 72 C CA . PRO A 1 10 ? 7.149 8.570 1.426 1.00 92.02 10 A 1 ATOM 73 C C . PRO A 1 10 ? 7.183 8.098 2.874 1.00 93.50 10 A 1 ATOM 74 O O . PRO A 1 10 ? 8.094 8.443 3.620 1.00 90.08 10 A 1 ATOM 75 C CB . PRO A 1 10 ? 7.668 10.009 1.313 1.00 88.64 10 A 1 ATOM 76 C CG . PRO A 1 10 ? 6.438 10.847 1.567 1.00 84.33 10 A 1 ATOM 77 C CD . PRO A 1 10 ? 5.228 9.986 1.204 1.00 87.36 10 A 1 ATOM 78 N N . GLY A 1 11 ? 6.190 7.323 3.279 1.00 91.50 11 A 1 ATOM 79 C CA . GLY A 1 11 ? 6.093 6.862 4.651 1.00 91.90 11 A 1 ATOM 80 C C . GLY A 1 11 ? 6.149 5.353 4.785 1.00 94.17 11 A 1 ATOM 81 O O . GLY A 1 11 ? 6.217 4.639 3.784 1.00 92.37 11 A 1 ATOM 82 N N . PRO A 1 12 ? 6.107 4.863 6.027 1.00 93.99 12 A 1 ATOM 83 C CA . PRO A 1 12 ? 6.130 3.425 6.300 1.00 94.54 12 A 1 ATOM 84 C C . PRO A 1 12 ? 4.857 2.728 5.836 1.00 95.28 12 A 1 ATOM 85 O O . PRO A 1 12 ? 4.860 1.519 5.601 1.00 93.38 12 A 1 ATOM 86 C CB . PRO A 1 12 ? 6.262 3.353 7.826 1.00 92.75 12 A 1 ATOM 87 C CG . PRO A 1 12 ? 5.699 4.649 8.314 1.00 90.15 12 A 1 ATOM 88 C CD . PRO A 1 12 ? 6.006 5.668 7.242 1.00 92.67 12 A 1 ATOM 89 N N . LEU A 1 13 ? 3.786 3.493 5.701 1.00 94.33 13 A 1 ATOM 90 C CA . LEU A 1 13 ? 2.505 2.954 5.255 1.00 94.58 13 A 1 ATOM 91 C C . LEU A 1 13 ? 2.592 2.483 3.809 1.00 95.50 13 A 1 ATOM 92 O O . LEU A 1 13 ? 1.955 1.506 3.424 1.00 94.59 13 A 1 ATOM 93 C CB . LEU A 1 13 ? 1.415 4.014 5.412 1.00 93.83 13 A 1 ATOM 94 C CG . LEU A 1 13 ? 0.236 3.569 6.267 1.00 88.67 13 A 1 ATOM 95 C CD1 . LEU A 1 13 ? -0.522 4.777 6.800 1.00 84.15 13 A 1 ATOM 96 C CD2 . LEU A 1 13 ? -0.685 2.673 5.475 1.00 82.30 13 A 1 ATOM 97 N N . GLY A 1 14 ? 3.396 3.172 3.018 1.00 93.42 14 A 1 ATOM 98 C CA . GLY A 1 14 ? 3.590 2.798 1.623 1.00 93.27 14 A 1 ATOM 99 C C . GLY A 1 14 ? 4.218 1.426 1.497 1.00 94.55 14 A 1 ATOM 100 O O . GLY A 1 14 ? 3.844 0.635 0.631 1.00 93.83 14 A 1 ATOM 101 N N . CYS A 1 15 ? 5.167 1.134 2.365 1.00 92.70 15 A 1 ATOM 102 C CA . CYS A 1 15 ? 5.831 -0.167 2.381 1.00 93.09 15 A 1 ATOM 103 C C . CYS A 1 15 ? 4.855 -1.267 2.797 1.00 94.37 15 A 1 ATOM 104 O O . CYS A 1 15 ? 4.846 -2.352 2.217 1.00 93.23 15 A 1 ATOM 105 C CB . CYS A 1 15 ? 7.018 -0.125 3.340 1.00 90.97 15 A 1 ATOM 106 S SG . CYS A 1 15 ? 8.084 -1.565 3.179 1.00 85.10 15 A 1 ATOM 107 N N . SER A 1 16 ? 4.034 -0.965 3.790 1.00 92.68 16 A 1 ATOM 108 C CA . SER A 1 16 ? 3.042 -1.911 4.291 1.00 93.86 16 A 1 ATOM 109 C C . SER A 1 16 ? 1.992 -2.215 3.229 1.00 95.14 16 A 1 ATOM 110 O O . SER A 1 16 ? 1.616 -3.370 3.025 1.00 94.48 16 A 1 ATOM 111 C CB . SER A 1 16 ? 2.375 -1.353 5.545 1.00 92.54 16 A 1 ATOM 112 O OG . SER A 1 16 ? 1.577 -2.333 6.161 1.00 85.98 16 A 1 ATOM 113 N N . LEU A 1 17 ? 1.540 -1.173 2.548 1.00 94.80 17 A 1 ATOM 114 C CA . LEU A 1 17 ? 0.537 -1.327 1.500 1.00 94.91 17 A 1 ATOM 115 C C . LEU A 1 17 ? 1.109 -2.067 0.297 1.00 96.23 17 A 1 ATOM 116 O O . LEU A 1 17 ? 0.424 -2.881 -0.324 1.00 96.22 17 A 1 ATOM 117 C CB . LEU A 1 17 ? 0.011 0.042 1.075 1.00 94.22 17 A 1 ATOM 118 C CG . LEU A 1 17 ? -1.372 0.367 1.638 1.00 88.42 17 A 1 ATOM 119 C CD1 . LEU A 1 17 ? -1.664 1.851 1.526 1.00 86.39 17 A 1 ATOM 120 C CD2 . LEU A 1 17 ? -2.433 -0.440 0.912 1.00 87.17 17 A 1 ATOM 121 N N . ALA A 1 18 ? 2.355 -1.787 -0.025 1.00 95.63 18 A 1 ATOM 122 C CA . ALA A 1 18 ? 3.023 -2.455 -1.136 1.00 95.51 18 A 1 ATOM 123 C C . ALA A 1 18 ? 3.118 -3.954 -0.873 1.00 96.58 18 A 1 ATOM 124 O O . ALA A 1 18 ? 2.875 -4.765 -1.765 1.00 95.84 18 A 1 ATOM 125 C CB . ALA A 1 18 ? 4.414 -1.865 -1.337 1.00 94.68 18 A 1 ATOM 126 N N . LEU A 1 19 ? 3.460 -4.306 0.353 1.00 95.84 19 A 1 ATOM 127 C CA . LEU A 1 19 ? 3.552 -5.706 0.758 1.00 95.88 19 A 1 ATOM 128 C C . LEU A 1 19 ? 2.187 -6.381 0.670 1.00 96.90 19 A 1 ATOM 129 O O . LEU A 1 19 ? 2.070 -7.499 0.159 1.00 96.98 19 A 1 ATOM 130 C CB . LEU A 1 19 ? 4.089 -5.791 2.186 1.00 95.58 19 A 1 ATOM 131 C CG . LEU A 1 19 ? 4.360 -7.212 2.678 1.00 88.89 19 A 1 ATOM 132 C CD1 . LEU A 1 19 ? 5.612 -7.775 2.021 1.00 87.79 19 A 1 ATOM 133 C CD2 . LEU A 1 19 ? 4.515 -7.224 4.187 1.00 88.82 19 A 1 ATOM 134 N N . LEU A 1 20 ? 1.169 -5.689 1.161 1.00 95.32 20 A 1 ATOM 135 C CA . LEU A 1 20 ? -0.196 -6.207 1.129 1.00 95.50 20 A 1 ATOM 136 C C . LEU A 1 20 ? -0.671 -6.400 -0.307 1.00 96.69 20 A 1 ATOM 137 O O . LEU A 1 20 ? -1.353 -7.377 -0.619 1.00 96.72 20 A 1 ATOM 138 C CB . LEU A 1 20 ? -1.138 -5.244 1.859 1.00 95.17 20 A 1 ATOM 139 C CG . LEU A 1 20 ? -2.322 -5.935 2.529 1.00 88.87 20 A 1 ATOM 140 C CD1 . LEU A 1 20 ? -2.016 -6.214 3.996 1.00 86.86 20 A 1 ATOM 141 C CD2 . LEU A 1 20 ? -3.576 -5.086 2.411 1.00 88.11 20 A 1 ATOM 142 N N . LEU A 1 21 ? -0.301 -5.471 -1.167 1.00 96.02 21 A 1 ATOM 143 C CA . LEU A 1 21 ? -0.675 -5.530 -2.577 1.00 96.02 21 A 1 ATOM 144 C C . LEU A 1 21 ? -0.065 -6.756 -3.251 1.00 97.12 21 A 1 ATOM 145 O O . LEU A 1 21 ? -0.729 -7.446 -4.025 1.00 97.03 21 A 1 ATOM 146 C CB . LEU A 1 21 ? -0.211 -4.257 -3.287 1.00 95.30 21 A 1 ATOM 147 C CG . LEU A 1 21 ? -0.787 -4.067 -4.686 1.00 87.44 21 A 1 ATOM 148 C CD1 . LEU A 1 21 ? -2.240 -3.605 -4.610 1.00 85.03 21 A 1 ATOM 149 C CD2 . LEU A 1 21 ? 0.039 -3.058 -5.463 1.00 86.17 21 A 1 ATOM 150 N N . VAL A 1 22 ? 1.187 -7.024 -2.953 1.00 97.20 22 A 1 ATOM 151 C CA . VAL A 1 22 ? 1.884 -8.182 -3.517 1.00 97.26 22 A 1 ATOM 152 C C . VAL A 1 22 ? 1.234 -9.479 -3.052 1.00 97.77 22 A 1 ATOM 153 O O . VAL A 1 22 ? 1.063 -10.414 -3.840 1.00 97.54 22 A 1 ATOM 154 C CB . VAL A 1 22 ? 3.371 -8.167 -3.125 1.00 96.79 22 A 1 ATOM 155 C CG1 . VAL A 1 22 ? 4.074 -9.426 -3.608 1.00 94.67 22 A 1 ATOM 156 C CG2 . VAL A 1 22 ? 4.064 -6.942 -3.708 1.00 94.86 22 A 1 ATOM 157 N N . VAL A 1 23 ? 0.872 -9.526 -1.787 1.00 97.33 23 A 1 ATOM 158 C CA . VAL A 1 23 ? 0.226 -10.714 -1.221 1.00 97.27 23 A 1 ATOM 159 C C . VAL A 1 23 ? -1.170 -10.898 -1.808 1.00 97.62 23 A 1 ATOM 160 O O . VAL A 1 23 ? -1.606 -12.027 -2.057 1.00 97.28 23 A 1 ATOM 161 C CB . VAL A 1 23 ? 0.142 -10.615 0.314 1.00 96.82 23 A 1 ATOM 162 C CG1 . VAL A 1 23 ? -0.599 -11.811 0.901 1.00 93.59 23 A 1 ATOM 163 C CG2 . VAL A 1 23 ? 1.534 -10.531 0.921 1.00 94.01 23 A 1 ATOM 164 N N . ALA A 1 24 ? -1.856 -9.793 -2.038 1.00 98.23 24 A 1 ATOM 165 C CA . ALA A 1 24 ? -3.212 -9.828 -2.583 1.00 98.26 24 A 1 ATOM 166 C C . ALA A 1 24 ? -3.215 -10.273 -4.043 1.00 98.41 24 A 1 ATOM 167 O O . ALA A 1 24 ? -4.172 -10.888 -4.506 1.00 97.85 24 A 1 ATOM 168 C CB . ALA A 1 24 ? -3.866 -8.454 -2.448 1.00 97.87 24 A 1 ATOM 169 N N . THR A 1 25 ? -2.158 -9.952 -4.767 1.00 97.55 25 A 1 ATOM 170 C CA . THR A 1 25 ? -2.067 -10.312 -6.183 1.00 97.39 25 A 1 ATOM 171 C C . THR A 1 25 ? -1.402 -11.675 -6.382 1.00 97.39 25 A 1 ATOM 172 O O . THR A 1 25 ? -1.411 -12.219 -7.484 1.00 96.09 25 A 1 ATOM 173 C CB . THR A 1 25 ? -1.305 -9.227 -6.965 1.00 96.72 25 A 1 ATOM 174 O OG1 . THR A 1 25 ? -1.579 -9.367 -8.356 1.00 93.27 25 A 1 ATOM 175 C CG2 . THR A 1 25 ? 0.192 -9.307 -6.754 1.00 92.39 25 A 1 ATOM 176 N N . ALA A 1 26 ? -0.846 -12.213 -5.322 1.00 96.46 26 A 1 ATOM 177 C CA . ALA A 1 26 ? -0.165 -13.503 -5.376 1.00 95.55 26 A 1 ATOM 178 C C . ALA A 1 26 ? -1.185 -14.640 -5.478 1.00 93.59 26 A 1 ATOM 179 O O . ALA A 1 26 ? -1.026 -15.510 -6.353 1.00 91.24 26 A 1 ATOM 180 C CB . ALA A 1 26 ? 0.727 -13.679 -4.148 1.00 93.45 26 A 1 ATOM 181 O OXT . ALA A 1 26 ? -2.118 -14.650 -4.689 1.00 83.27 26 A 1 #