# 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_spkb09331 # _entry.id spkb09331 # 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" "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" "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 GLY 3 1 n ALA 4 1 n ARG 5 1 n GLY 6 1 n ALA 7 1 n TRP 8 1 n ASP 9 1 n PHE 10 1 n LEU 11 1 n CYS 12 1 n VAL 13 1 n LEU 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n ARG 19 1 n VAL 20 1 n GLN 21 1 n THR 22 1 n GLY 23 1 n SER 24 1 n SER 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 @ 2025-07-08 05:33:08)" _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 89.66 _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 77.33 1 1 A ARG 2 2 72.90 1 2 A GLY 3 2 88.24 1 3 A ALA 4 2 92.55 1 4 A ARG 5 2 81.98 1 5 A GLY 6 2 95.42 1 6 A ALA 7 2 96.67 1 7 A TRP 8 2 92.14 1 8 A ASP 9 2 94.40 1 9 A PHE 10 2 94.69 1 10 A LEU 11 2 94.61 1 11 A CYS 12 2 95.99 1 12 A VAL 13 2 96.56 1 13 A LEU 14 2 94.72 1 14 A LEU 15 2 94.29 1 15 A LEU 16 2 93.84 1 16 A LEU 17 2 95.11 1 17 A LEU 18 2 94.54 1 18 A ARG 19 2 88.03 1 19 A VAL 20 2 95.62 1 20 A GLN 21 2 87.41 1 21 A THR 22 2 90.21 1 22 A GLY 23 2 90.49 1 23 A SER 24 2 83.90 1 24 A SER 25 2 72.09 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 ARG . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n TRP . 8 A 8 A 9 1 n ASP . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ARG . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n GLN . 21 A 21 A 22 1 n THR . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n SER . 24 A 24 A 25 1 n SER . 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 ? -16.121 3.948 -6.246 1.00 82.59 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.031 3.190 -5.606 1.00 85.59 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.849 4.100 -5.294 1.00 87.45 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.854 4.099 -6.011 1.00 78.94 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.558 2.059 -6.527 1.00 79.06 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.654 1.074 -6.837 1.00 76.25 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.077 -0.306 -7.842 1.00 69.81 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.021 0.450 -9.453 1.00 58.93 1 A 1 ATOM 9 N N . ARG A 1 2 ? -13.987 4.885 -4.254 1.00 82.85 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -12.925 5.814 -3.875 1.00 86.28 2 A 1 ATOM 11 C C . ARG A 1 2 ? -12.554 5.668 -2.402 1.00 87.73 2 A 1 ATOM 12 O O . ARG A 1 2 ? -11.376 5.609 -2.068 1.00 81.78 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -13.357 7.256 -4.168 1.00 81.67 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -13.623 7.517 -5.643 1.00 72.73 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -13.983 8.972 -5.865 1.00 72.43 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -14.571 9.182 -7.186 1.00 65.10 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -13.871 9.267 -8.314 1.00 61.00 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -12.556 9.148 -8.306 1.00 55.94 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -14.496 9.459 -9.460 1.00 54.41 2 A 1 ATOM 20 N N . GLY A 1 3 ? -13.564 5.621 -1.553 1.00 86.38 3 A 1 ATOM 21 C CA . GLY A 1 3 ? -13.330 5.511 -0.116 1.00 88.33 3 A 1 ATOM 22 C C . GLY A 1 3 ? -12.785 4.156 0.291 1.00 90.80 3 A 1 ATOM 23 O O . GLY A 1 3 ? -11.634 4.035 0.710 1.00 87.46 3 A 1 ATOM 24 N N . ALA A 1 4 ? -13.621 3.124 0.165 1.00 91.11 4 A 1 ATOM 25 C CA . ALA A 1 4 ? -13.223 1.770 0.547 1.00 93.65 4 A 1 ATOM 26 C C . ALA A 1 4 ? -12.121 1.227 -0.358 1.00 94.73 4 A 1 ATOM 27 O O . ALA A 1 4 ? -11.109 0.714 0.115 1.00 92.60 4 A 1 ATOM 28 C CB . ALA A 1 4 ? -14.434 0.849 0.521 1.00 90.65 4 A 1 ATOM 29 N N . ARG A 1 5 ? -12.337 1.334 -1.669 1.00 94.54 5 A 1 ATOM 30 C CA . ARG A 1 5 ? -11.354 0.843 -2.636 1.00 95.47 5 A 1 ATOM 31 C C . ARG A 1 5 ? -10.064 1.643 -2.550 1.00 96.36 5 A 1 ATOM 32 O O . ARG A 1 5 ? -8.975 1.083 -2.644 1.00 94.75 5 A 1 ATOM 33 C CB . ARG A 1 5 ? -11.931 0.908 -4.048 1.00 93.47 5 A 1 ATOM 34 C CG . ARG A 1 5 ? -11.913 -0.458 -4.723 1.00 84.07 5 A 1 ATOM 35 C CD . ARG A 1 5 ? -10.501 -0.875 -5.076 1.00 79.85 5 A 1 ATOM 36 N NE . ARG A 1 5 ? -10.338 -2.331 -5.008 1.00 72.83 5 A 1 ATOM 37 C CZ . ARG A 1 5 ? -9.172 -2.933 -4.828 1.00 67.52 5 A 1 ATOM 38 N NH1 . ARG A 1 5 ? -8.064 -2.232 -4.694 1.00 61.78 5 A 1 ATOM 39 N NH2 . ARG A 1 5 ? -9.109 -4.250 -4.769 1.00 61.12 5 A 1 ATOM 40 N N . GLY A 1 6 ? -10.198 2.945 -2.374 1.00 94.52 6 A 1 ATOM 41 C CA . GLY A 1 6 ? -9.032 3.813 -2.246 1.00 95.26 6 A 1 ATOM 42 C C . GLY A 1 6 ? -8.184 3.434 -1.048 1.00 96.50 6 A 1 ATOM 43 O O . GLY A 1 6 ? -6.955 3.452 -1.113 1.00 95.39 6 A 1 ATOM 44 N N . ALA A 1 7 ? -8.838 3.082 0.041 1.00 96.18 7 A 1 ATOM 45 C CA . ALA A 1 7 ? -8.143 2.661 1.255 1.00 96.90 7 A 1 ATOM 46 C C . ALA A 1 7 ? -7.349 1.381 1.003 1.00 97.37 7 A 1 ATOM 47 O O . ALA A 1 7 ? -6.211 1.248 1.456 1.00 96.81 7 A 1 ATOM 48 C CB . ALA A 1 7 ? -9.147 2.449 2.382 1.00 96.09 7 A 1 ATOM 49 N N . TRP A 1 8 ? -7.962 0.438 0.281 1.00 96.40 8 A 1 ATOM 50 C CA . TRP A 1 8 ? -7.293 -0.816 -0.043 1.00 96.83 8 A 1 ATOM 51 C C . TRP A 1 8 ? -6.108 -0.570 -0.963 1.00 97.42 8 A 1 ATOM 52 O O . TRP A 1 8 ? -5.058 -1.184 -0.799 1.00 97.07 8 A 1 ATOM 53 C CB . TRP A 1 8 ? -8.280 -1.788 -0.689 1.00 96.38 8 A 1 ATOM 54 C CG . TRP A 1 8 ? -8.982 -2.630 0.326 1.00 94.10 8 A 1 ATOM 55 C CD1 . TRP A 1 8 ? -10.297 -2.600 0.641 1.00 88.87 8 A 1 ATOM 56 C CD2 . TRP A 1 8 ? -8.384 -3.624 1.176 1.00 92.02 8 A 1 ATOM 57 N NE1 . TRP A 1 8 ? -10.563 -3.516 1.627 1.00 89.55 8 A 1 ATOM 58 C CE2 . TRP A 1 8 ? -9.409 -4.163 1.982 1.00 92.17 8 A 1 ATOM 59 C CE3 . TRP A 1 8 ? -7.085 -4.116 1.330 1.00 88.54 8 A 1 ATOM 60 C CZ2 . TRP A 1 8 ? -9.162 -5.165 2.923 1.00 89.59 8 A 1 ATOM 61 C CZ3 . TRP A 1 8 ? -6.842 -5.113 2.270 1.00 85.34 8 A 1 ATOM 62 C CH2 . TRP A 1 8 ? -7.874 -5.625 3.053 1.00 85.70 8 A 1 ATOM 63 N N . ASP A 1 9 ? -6.280 0.333 -1.925 1.00 97.05 9 A 1 ATOM 64 C CA . ASP A 1 9 ? -5.194 0.692 -2.829 1.00 97.27 9 A 1 ATOM 65 C C . ASP A 1 9 ? -4.029 1.278 -2.042 1.00 97.72 9 A 1 ATOM 66 O O . ASP A 1 9 ? -2.869 0.934 -2.273 1.00 97.57 9 A 1 ATOM 67 C CB . ASP A 1 9 ? -5.684 1.707 -3.861 1.00 96.66 9 A 1 ATOM 68 C CG . ASP A 1 9 ? -6.309 1.030 -5.066 1.00 92.64 9 A 1 ATOM 69 O OD1 . ASP A 1 9 ? -5.581 0.319 -5.774 1.00 87.93 9 A 1 ATOM 70 O OD2 . ASP A 1 9 ? -7.507 1.223 -5.296 1.00 88.32 9 A 1 ATOM 71 N N . PHE A 1 10 ? -4.358 2.156 -1.115 1.00 96.56 10 A 1 ATOM 72 C CA . PHE A 1 10 ? -3.353 2.780 -0.264 1.00 96.76 10 A 1 ATOM 73 C C . PHE A 1 10 ? -2.641 1.727 0.580 1.00 97.06 10 A 1 ATOM 74 O O . PHE A 1 10 ? -1.417 1.758 0.722 1.00 96.82 10 A 1 ATOM 75 C CB . PHE A 1 10 ? -4.021 3.812 0.640 1.00 96.49 10 A 1 ATOM 76 C CG . PHE A 1 10 ? -3.054 4.485 1.577 1.00 95.45 10 A 1 ATOM 77 C CD1 . PHE A 1 10 ? -2.205 5.483 1.116 1.00 92.81 10 A 1 ATOM 78 C CD2 . PHE A 1 10 ? -2.999 4.111 2.911 1.00 93.20 10 A 1 ATOM 79 C CE1 . PHE A 1 10 ? -1.312 6.100 1.978 1.00 91.87 10 A 1 ATOM 80 C CE2 . PHE A 1 10 ? -2.103 4.726 3.776 1.00 91.95 10 A 1 ATOM 81 C CZ . PHE A 1 10 ? -1.258 5.719 3.309 1.00 92.60 10 A 1 ATOM 82 N N . LEU A 1 11 ? -3.411 0.801 1.123 1.00 97.20 11 A 1 ATOM 83 C CA . LEU A 1 11 ? -2.862 -0.270 1.948 1.00 97.14 11 A 1 ATOM 84 C C . LEU A 1 11 ? -1.933 -1.160 1.134 1.00 97.39 11 A 1 ATOM 85 O O . LEU A 1 11 ? -0.849 -1.533 1.597 1.00 97.16 11 A 1 ATOM 86 C CB . LEU A 1 11 ? -4.007 -1.095 2.539 1.00 96.87 11 A 1 ATOM 87 C CG . LEU A 1 11 ? -3.926 -1.273 4.051 1.00 93.23 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? -5.285 -1.655 4.616 1.00 88.61 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? -2.897 -2.329 4.407 1.00 89.29 11 A 1 ATOM 90 N N . CYS A 1 12 ? -2.354 -1.496 -0.086 1.00 96.93 12 A 1 ATOM 91 C CA . CYS A 1 12 ? -1.551 -2.327 -0.977 1.00 96.91 12 A 1 ATOM 92 C C . CYS A 1 12 ? -0.223 -1.652 -1.305 1.00 97.17 12 A 1 ATOM 93 O O . CYS A 1 12 ? 0.829 -2.287 -1.267 1.00 96.72 12 A 1 ATOM 94 C CB . CYS A 1 12 ? -2.333 -2.608 -2.262 1.00 96.43 12 A 1 ATOM 95 S SG . CYS A 1 12 ? -3.559 -3.914 -2.047 1.00 91.78 12 A 1 ATOM 96 N N . VAL A 1 13 ? -0.287 -0.371 -1.623 1.00 97.45 13 A 1 ATOM 97 C CA . VAL A 1 13 ? 0.919 0.391 -1.943 1.00 97.36 13 A 1 ATOM 98 C C . VAL A 1 13 ? 1.827 0.467 -0.720 1.00 97.54 13 A 1 ATOM 99 O O . VAL A 1 13 ? 3.045 0.308 -0.830 1.00 97.15 13 A 1 ATOM 100 C CB . VAL A 1 13 ? 0.551 1.801 -2.436 1.00 96.82 13 A 1 ATOM 101 C CG1 . VAL A 1 13 ? 1.796 2.661 -2.620 1.00 94.86 13 A 1 ATOM 102 C CG2 . VAL A 1 13 ? -0.213 1.720 -3.750 1.00 94.71 13 A 1 ATOM 103 N N . LEU A 1 14 ? 1.226 0.700 0.427 1.00 97.24 14 A 1 ATOM 104 C CA . LEU A 1 14 ? 1.977 0.783 1.676 1.00 97.04 14 A 1 ATOM 105 C C . LEU A 1 14 ? 2.687 -0.535 1.968 1.00 97.23 14 A 1 ATOM 106 O O . LEU A 1 14 ? 3.853 -0.551 2.365 1.00 96.95 14 A 1 ATOM 107 C CB . LEU A 1 14 ? 1.027 1.126 2.823 1.00 96.67 14 A 1 ATOM 108 C CG . LEU A 1 14 ? 1.724 1.809 3.997 1.00 92.72 14 A 1 ATOM 109 C CD1 . LEU A 1 14 ? 1.885 3.302 3.724 1.00 89.71 14 A 1 ATOM 110 C CD2 . LEU A 1 14 ? 0.941 1.587 5.273 1.00 90.24 14 A 1 ATOM 111 N N . LEU A 1 15 ? 1.977 -1.638 1.765 1.00 96.91 15 A 1 ATOM 112 C CA . LEU A 1 15 ? 2.542 -2.965 1.993 1.00 96.45 15 A 1 ATOM 113 C C . LEU A 1 15 ? 3.691 -3.239 1.032 1.00 96.58 15 A 1 ATOM 114 O O . LEU A 1 15 ? 4.719 -3.800 1.426 1.00 96.22 15 A 1 ATOM 115 C CB . LEU A 1 15 ? 1.451 -4.027 1.823 1.00 96.19 15 A 1 ATOM 116 C CG . LEU A 1 15 ? 0.526 -4.153 3.034 1.00 92.51 15 A 1 ATOM 117 C CD1 . LEU A 1 15 ? -0.742 -4.897 2.653 1.00 89.33 15 A 1 ATOM 118 C CD2 . LEU A 1 15 ? 1.244 -4.883 4.167 1.00 90.12 15 A 1 ATOM 119 N N . LEU A 1 16 ? 3.513 -2.842 -0.223 1.00 96.92 16 A 1 ATOM 120 C CA . LEU A 1 16 ? 4.554 -3.021 -1.230 1.00 96.49 16 A 1 ATOM 121 C C . LEU A 1 16 ? 5.794 -2.217 -0.861 1.00 96.73 16 A 1 ATOM 122 O O . LEU A 1 16 ? 6.918 -2.719 -0.958 1.00 96.38 16 A 1 ATOM 123 C CB . LEU A 1 16 ? 4.031 -2.580 -2.599 1.00 96.23 16 A 1 ATOM 124 C CG . LEU A 1 16 ? 3.229 -3.655 -3.328 1.00 90.64 16 A 1 ATOM 125 C CD1 . LEU A 1 16 ? 2.359 -3.036 -4.408 1.00 88.03 16 A 1 ATOM 126 C CD2 . LEU A 1 16 ? 4.179 -4.680 -3.943 1.00 89.28 16 A 1 ATOM 127 N N . LEU A 1 17 ? 5.578 -0.985 -0.429 1.00 97.04 17 A 1 ATOM 128 C CA . LEU A 1 17 ? 6.682 -0.123 -0.023 1.00 96.72 17 A 1 ATOM 129 C C . LEU A 1 17 ? 7.398 -0.713 1.182 1.00 96.59 17 A 1 ATOM 130 O O . LEU A 1 17 ? 8.628 -0.698 1.246 1.00 95.85 17 A 1 ATOM 131 C CB . LEU A 1 17 ? 6.153 1.271 0.311 1.00 96.50 17 A 1 ATOM 132 C CG . LEU A 1 17 ? 5.822 2.118 -0.918 1.00 94.58 17 A 1 ATOM 133 C CD1 . LEU A 1 17 ? 4.952 3.297 -0.530 1.00 91.68 17 A 1 ATOM 134 C CD2 . LEU A 1 17 ? 7.111 2.612 -1.572 1.00 91.93 17 A 1 ATOM 135 N N . LEU A 1 18 ? 6.629 -1.236 2.123 1.00 97.22 18 A 1 ATOM 136 C CA . LEU A 1 18 ? 7.200 -1.851 3.318 1.00 96.81 18 A 1 ATOM 137 C C . LEU A 1 18 ? 8.038 -3.068 2.949 1.00 96.75 18 A 1 ATOM 138 O O . LEU A 1 18 ? 9.108 -3.286 3.519 1.00 96.07 18 A 1 ATOM 139 C CB . LEU A 1 18 ? 6.081 -2.254 4.278 1.00 96.65 18 A 1 ATOM 140 C CG . LEU A 1 18 ? 5.556 -1.095 5.127 1.00 93.85 18 A 1 ATOM 141 C CD1 . LEU A 1 18 ? 4.196 -1.432 5.716 1.00 89.09 18 A 1 ATOM 142 C CD2 . LEU A 1 18 ? 6.544 -0.776 6.243 1.00 89.86 18 A 1 ATOM 143 N N . ARG A 1 19 ? 7.551 -3.853 1.991 1.00 97.31 19 A 1 ATOM 144 C CA . ARG A 1 19 ? 8.284 -5.035 1.525 1.00 96.84 19 A 1 ATOM 145 C C . ARG A 1 19 ? 9.639 -4.632 0.968 1.00 96.91 19 A 1 ATOM 146 O O . ARG A 1 19 ? 10.660 -5.216 1.322 1.00 95.30 19 A 1 ATOM 147 C CB . ARG A 1 19 ? 7.495 -5.747 0.427 1.00 95.99 19 A 1 ATOM 148 C CG . ARG A 1 19 ? 6.373 -6.610 0.947 1.00 89.40 19 A 1 ATOM 149 C CD . ARG A 1 19 ? 5.651 -7.229 -0.235 1.00 87.23 19 A 1 ATOM 150 N NE . ARG A 1 19 ? 4.367 -7.812 0.143 1.00 82.04 19 A 1 ATOM 151 C CZ . ARG A 1 19 ? 4.211 -9.064 0.548 1.00 79.81 19 A 1 ATOM 152 N NH1 . ARG A 1 19 ? 5.244 -9.881 0.658 1.00 71.17 19 A 1 ATOM 153 N NH2 . ARG A 1 19 ? 3.003 -9.503 0.843 1.00 76.30 19 A 1 ATOM 154 N N . VAL A 1 20 ? 9.639 -3.651 0.083 1.00 98.03 20 A 1 ATOM 155 C CA . VAL A 1 20 ? 10.874 -3.174 -0.535 1.00 97.65 20 A 1 ATOM 156 C C . VAL A 1 20 ? 11.791 -2.549 0.508 1.00 97.40 20 A 1 ATOM 157 O O . VAL A 1 20 ? 13.003 -2.789 0.503 1.00 95.96 20 A 1 ATOM 158 C CB . VAL A 1 20 ? 10.566 -2.161 -1.649 1.00 96.96 20 A 1 ATOM 159 C CG1 . VAL A 1 20 ? 11.850 -1.637 -2.270 1.00 91.87 20 A 1 ATOM 160 C CG2 . VAL A 1 20 ? 9.696 -2.801 -2.721 1.00 91.46 20 A 1 ATOM 161 N N . GLN A 1 21 ? 11.206 -1.766 1.398 1.00 97.15 21 A 1 ATOM 162 C CA . GLN A 1 21 ? 11.983 -1.087 2.435 1.00 96.19 21 A 1 ATOM 163 C C . GLN A 1 21 ? 12.563 -2.071 3.440 1.00 95.44 21 A 1 ATOM 164 O O . GLN A 1 21 ? 13.682 -1.885 3.916 1.00 90.80 21 A 1 ATOM 165 C CB . GLN A 1 21 ? 11.107 -0.061 3.151 1.00 94.35 21 A 1 ATOM 166 C CG . GLN A 1 21 ? 10.740 1.130 2.278 1.00 84.89 21 A 1 ATOM 167 C CD . GLN A 1 21 ? 11.924 2.049 2.048 1.00 81.72 21 A 1 ATOM 168 O OE1 . GLN A 1 21 ? 12.862 1.711 1.346 1.00 75.27 21 A 1 ATOM 169 N NE2 . GLN A 1 21 ? 11.894 3.224 2.639 1.00 70.84 21 A 1 ATOM 170 N N . THR A 1 22 ? 11.819 -3.109 3.753 1.00 96.15 22 A 1 ATOM 171 C CA . THR A 1 22 ? 12.281 -4.117 4.708 1.00 94.97 22 A 1 ATOM 172 C C . THR A 1 22 ? 13.354 -5.012 4.101 1.00 93.95 22 A 1 ATOM 173 O O . THR A 1 22 ? 14.125 -5.643 4.824 1.00 88.52 22 A 1 ATOM 174 C CB . THR A 1 22 ? 11.119 -4.974 5.217 1.00 92.38 22 A 1 ATOM 175 O OG1 . THR A 1 22 ? 10.322 -5.416 4.141 1.00 83.97 22 A 1 ATOM 176 C CG2 . THR A 1 22 ? 10.273 -4.200 6.205 1.00 81.56 22 A 1 ATOM 177 N N . GLY A 1 23 ? 13.409 -5.063 2.773 1.00 93.99 23 A 1 ATOM 178 C CA . GLY A 1 23 ? 14.417 -5.864 2.089 1.00 92.23 23 A 1 ATOM 179 C C . GLY A 1 23 ? 13.853 -7.118 1.462 1.00 90.64 23 A 1 ATOM 180 O O . GLY A 1 23 ? 14.541 -8.135 1.378 1.00 85.11 23 A 1 ATOM 181 N N . SER A 1 24 ? 12.608 -7.049 1.024 1.00 90.59 24 A 1 ATOM 182 C CA . SER A 1 24 ? 11.959 -8.188 0.378 1.00 89.08 24 A 1 ATOM 183 C C . SER A 1 24 ? 12.221 -8.190 -1.120 1.00 86.52 24 A 1 ATOM 184 O O . SER A 1 24 ? 11.965 -9.186 -1.798 1.00 80.09 24 A 1 ATOM 185 C CB . SER A 1 24 ? 10.455 -8.156 0.632 1.00 84.80 24 A 1 ATOM 186 O OG . SER A 1 24 ? 10.172 -8.344 2.002 1.00 72.31 24 A 1 ATOM 187 N N . SER A 1 25 ? 12.733 -7.087 -1.611 1.00 84.71 25 A 1 ATOM 188 C CA . SER A 1 25 ? 13.000 -6.939 -3.039 1.00 80.57 25 A 1 ATOM 189 C C . SER A 1 25 ? 14.424 -6.452 -3.260 1.00 73.72 25 A 1 ATOM 190 O O . SER A 1 25 ? 15.253 -7.225 -3.764 1.00 65.13 25 A 1 ATOM 191 C CB . SER A 1 25 ? 11.991 -5.974 -3.665 1.00 72.24 25 A 1 ATOM 192 O OG . SER A 1 25 ? 12.073 -6.003 -5.067 1.00 63.72 25 A 1 ATOM 193 O OXT . SER A 1 25 ? 14.697 -5.318 -2.892 1.00 64.55 25 A 1 #