# 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_spkb43381 # _entry.id spkb43381 # 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" "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" "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 ARG 2 1 n PHE 3 1 n TYR 4 1 n TYR 5 1 n THR 6 1 n LEU 7 1 n LEU 8 1 n ALA 9 1 n THR 10 1 n ALA 11 1 n ALA 12 1 n ALA 13 1 n LEU 14 1 n LEU 15 1 n VAL 16 1 n HIS 17 1 n SER 18 1 n ASP 19 1 n ALA 20 1 n LEU 21 1 n SER 22 1 n ALA 23 1 n ALA 24 # _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 @ 2025-07-09 04:13:34)" _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 92.72 _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 87.49 1 1 A ARG 2 2 81.99 1 2 A PHE 3 2 89.31 1 3 A TYR 4 2 90.14 1 4 A TYR 5 2 91.48 1 5 A THR 6 2 95.88 1 6 A LEU 7 2 95.10 1 7 A LEU 8 2 94.50 1 8 A ALA 9 2 97.79 1 9 A THR 10 2 96.15 1 10 A ALA 11 2 98.09 1 11 A ALA 12 2 97.99 1 12 A ALA 13 2 98.00 1 13 A LEU 14 2 96.15 1 14 A LEU 15 2 95.92 1 15 A VAL 16 2 96.94 1 16 A HIS 17 2 92.69 1 17 A SER 18 2 95.71 1 18 A ASP 19 2 93.28 1 19 A ALA 20 2 96.95 1 20 A LEU 21 2 92.38 1 21 A SER 22 2 91.56 1 22 A ALA 23 2 91.79 1 23 A ALA 24 2 83.80 1 24 # _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 PHE . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n HIS . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ASP . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n ALA . 24 A 24 # _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 ? -17.062 -1.033 1.771 1.00 93.54 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.086 -1.876 2.493 1.00 93.96 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.939 -2.320 1.584 1.00 94.85 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.783 -2.268 1.978 1.00 93.03 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.779 -3.113 3.066 1.00 89.72 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.334 -2.839 4.454 1.00 84.15 1 A 1 ATOM 7 S SD . MET A 1 1 ? -18.141 -4.278 5.157 1.00 80.50 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.077 -3.835 6.894 1.00 70.20 1 A 1 ATOM 9 N N . ARG A 1 2 ? -15.264 -2.747 0.376 1.00 90.62 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -14.241 -3.243 -0.554 1.00 93.77 2 A 1 ATOM 11 C C . ARG A 1 2 ? -13.186 -2.187 -0.866 1.00 95.35 2 A 1 ATOM 12 O O . ARG A 1 2 ? -12.003 -2.500 -0.961 1.00 94.08 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -14.913 -3.726 -1.843 1.00 90.68 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -13.965 -4.562 -2.673 1.00 82.75 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -14.657 -5.071 -3.934 1.00 81.37 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -14.857 -3.977 -4.888 1.00 73.37 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -15.036 -4.154 -6.192 1.00 70.97 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -15.051 -5.365 -6.718 1.00 64.19 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -15.202 -3.112 -6.979 1.00 64.79 2 A 1 ATOM 20 N N . PHE A 1 3 ? -13.613 -0.941 -0.998 1.00 93.25 3 A 1 ATOM 21 C CA . PHE A 1 3 ? -12.685 0.141 -1.330 1.00 94.98 3 A 1 ATOM 22 C C . PHE A 1 3 ? -11.634 0.341 -0.241 1.00 96.60 3 A 1 ATOM 23 O O . PHE A 1 3 ? -10.510 0.759 -0.524 1.00 96.08 3 A 1 ATOM 24 C CB . PHE A 1 3 ? -13.462 1.436 -1.555 1.00 93.57 3 A 1 ATOM 25 C CG . PHE A 1 3 ? -14.365 1.360 -2.758 1.00 90.24 3 A 1 ATOM 26 C CD1 . PHE A 1 3 ? -13.830 1.435 -4.039 1.00 86.24 3 A 1 ATOM 27 C CD2 . PHE A 1 3 ? -15.737 1.215 -2.601 1.00 84.99 3 A 1 ATOM 28 C CE1 . PHE A 1 3 ? -14.659 1.362 -5.153 1.00 82.96 3 A 1 ATOM 29 C CE2 . PHE A 1 3 ? -16.570 1.141 -3.715 1.00 82.28 3 A 1 ATOM 30 C CZ . PHE A 1 3 ? -16.029 1.216 -4.988 1.00 81.27 3 A 1 ATOM 31 N N . TYR A 1 4 ? -11.986 0.022 0.982 1.00 95.59 4 A 1 ATOM 32 C CA . TYR A 1 4 ? -11.047 0.132 2.098 1.00 95.62 4 A 1 ATOM 33 C C . TYR A 1 4 ? -9.869 -0.823 1.902 1.00 96.46 4 A 1 ATOM 34 O O . TYR A 1 4 ? -8.719 -0.470 2.167 1.00 96.40 4 A 1 ATOM 35 C CB . TYR A 1 4 ? -11.778 -0.173 3.405 1.00 94.63 4 A 1 ATOM 36 C CG . TYR A 1 4 ? -10.889 0.015 4.610 1.00 89.46 4 A 1 ATOM 37 C CD1 . TYR A 1 4 ? -10.599 1.292 5.090 1.00 87.28 4 A 1 ATOM 38 C CD2 . TYR A 1 4 ? -10.338 -1.089 5.260 1.00 86.20 4 A 1 ATOM 39 C CE1 . TYR A 1 4 ? -9.778 1.464 6.197 1.00 85.56 4 A 1 ATOM 40 C CE2 . TYR A 1 4 ? -9.510 -0.923 6.367 1.00 85.61 4 A 1 ATOM 41 C CZ . TYR A 1 4 ? -9.237 0.357 6.831 1.00 85.49 4 A 1 ATOM 42 O OH . TYR A 1 4 ? -8.418 0.521 7.923 1.00 83.37 4 A 1 ATOM 43 N N . TYR A 1 5 ? -10.157 -2.025 1.418 1.00 96.19 5 A 1 ATOM 44 C CA . TYR A 1 5 ? -9.111 -3.019 1.174 1.00 96.29 5 A 1 ATOM 45 C C . TYR A 1 5 ? -8.197 -2.572 0.039 1.00 96.86 5 A 1 ATOM 46 O O . TYR A 1 5 ? -6.985 -2.778 0.091 1.00 96.69 5 A 1 ATOM 47 C CB . TYR A 1 5 ? -9.740 -4.370 0.836 1.00 95.38 5 A 1 ATOM 48 C CG . TYR A 1 5 ? -10.444 -4.997 2.018 1.00 92.36 5 A 1 ATOM 49 C CD1 . TYR A 1 5 ? -9.713 -5.598 3.038 1.00 89.15 5 A 1 ATOM 50 C CD2 . TYR A 1 5 ? -11.832 -4.985 2.102 1.00 88.42 5 A 1 ATOM 51 C CE1 . TYR A 1 5 ? -10.356 -6.177 4.125 1.00 87.60 5 A 1 ATOM 52 C CE2 . TYR A 1 5 ? -12.485 -5.558 3.188 1.00 86.78 5 A 1 ATOM 53 C CZ . TYR A 1 5 ? -11.739 -6.156 4.195 1.00 87.20 5 A 1 ATOM 54 O OH . TYR A 1 5 ? -12.382 -6.729 5.267 1.00 84.88 5 A 1 ATOM 55 N N . THR A 1 6 ? -8.770 -1.942 -0.980 1.00 97.83 6 A 1 ATOM 56 C CA . THR A 1 6 ? -7.988 -1.438 -2.107 1.00 97.78 6 A 1 ATOM 57 C C . THR A 1 6 ? -7.050 -0.325 -1.649 1.00 98.02 6 A 1 ATOM 58 O O . THR A 1 6 ? -5.882 -0.293 -2.037 1.00 97.71 6 A 1 ATOM 59 C CB . THR A 1 6 ? -8.917 -0.919 -3.209 1.00 97.24 6 A 1 ATOM 60 O OG1 . THR A 1 6 ? -9.890 -1.911 -3.510 1.00 92.60 6 A 1 ATOM 61 C CG2 . THR A 1 6 ? -8.141 -0.605 -4.477 1.00 89.97 6 A 1 ATOM 62 N N . LEU A 1 7 ? -7.550 0.565 -0.822 1.00 97.87 7 A 1 ATOM 63 C CA . LEU A 1 7 ? -6.745 1.659 -0.288 1.00 97.84 7 A 1 ATOM 64 C C . LEU A 1 7 ? -5.605 1.120 0.570 1.00 97.98 7 A 1 ATOM 65 O O . LEU A 1 7 ? -4.456 1.543 0.432 1.00 97.84 7 A 1 ATOM 66 C CB . LEU A 1 7 ? -7.640 2.587 0.540 1.00 97.51 7 A 1 ATOM 67 C CG . LEU A 1 7 ? -6.960 3.902 0.899 1.00 91.62 7 A 1 ATOM 68 C CD1 . LEU A 1 7 ? -7.088 4.897 -0.255 1.00 90.13 7 A 1 ATOM 69 C CD2 . LEU A 1 7 ? -7.574 4.491 2.156 1.00 90.02 7 A 1 ATOM 70 N N . LEU A 1 8 ? -5.920 0.186 1.437 1.00 97.99 8 A 1 ATOM 71 C CA . LEU A 1 8 ? -4.929 -0.410 2.329 1.00 97.82 8 A 1 ATOM 72 C C . LEU A 1 8 ? -3.892 -1.198 1.534 1.00 97.92 8 A 1 ATOM 73 O O . LEU A 1 8 ? -2.694 -1.114 1.808 1.00 97.78 8 A 1 ATOM 74 C CB . LEU A 1 8 ? -5.642 -1.303 3.348 1.00 97.32 8 A 1 ATOM 75 C CG . LEU A 1 8 ? -4.821 -1.548 4.609 1.00 89.44 8 A 1 ATOM 76 C CD1 . LEU A 1 8 ? -5.687 -1.401 5.851 1.00 88.85 8 A 1 ATOM 77 C CD2 . LEU A 1 8 ? -4.193 -2.930 4.585 1.00 88.84 8 A 1 ATOM 78 N N . ALA A 1 9 ? -4.349 -1.952 0.540 1.00 97.98 9 A 1 ATOM 79 C CA . ALA A 1 9 ? -3.451 -2.740 -0.296 1.00 97.89 9 A 1 ATOM 80 C C . ALA A 1 9 ? -2.515 -1.840 -1.099 1.00 98.16 9 A 1 ATOM 81 O O . ALA A 1 9 ? -1.323 -2.127 -1.217 1.00 97.70 9 A 1 ATOM 82 C CB . ALA A 1 9 ? -4.272 -3.629 -1.227 1.00 97.21 9 A 1 ATOM 83 N N . THR A 1 10 ? -3.036 -0.747 -1.631 1.00 97.79 10 A 1 ATOM 84 C CA . THR A 1 10 ? -2.232 0.194 -2.410 1.00 97.73 10 A 1 ATOM 85 C C . THR A 1 10 ? -1.191 0.869 -1.527 1.00 98.12 10 A 1 ATOM 86 O O . THR A 1 10 ? -0.023 0.972 -1.908 1.00 97.86 10 A 1 ATOM 87 C CB . THR A 1 10 ? -3.130 1.250 -3.062 1.00 97.05 10 A 1 ATOM 88 O OG1 . THR A 1 10 ? -4.115 0.607 -3.854 1.00 93.00 10 A 1 ATOM 89 C CG2 . THR A 1 10 ? -2.329 2.168 -3.970 1.00 91.47 10 A 1 ATOM 90 N N . ALA A 1 11 ? -1.600 1.314 -0.359 1.00 98.20 11 A 1 ATOM 91 C CA . ALA A 1 11 ? -0.688 1.966 0.573 1.00 98.15 11 A 1 ATOM 92 C C . ALA A 1 11 ? 0.405 1.003 1.028 1.00 98.37 11 A 1 ATOM 93 O O . ALA A 1 11 ? 1.580 1.369 1.074 1.00 98.05 11 A 1 ATOM 94 C CB . ALA A 1 11 ? -1.472 2.493 1.773 1.00 97.67 11 A 1 ATOM 95 N N . ALA A 1 12 ? 0.020 -0.220 1.344 1.00 98.23 12 A 1 ATOM 96 C CA . ALA A 1 12 ? 0.973 -1.234 1.780 1.00 98.09 12 A 1 ATOM 97 C C . ALA A 1 12 ? 1.936 -1.600 0.652 1.00 98.26 12 A 1 ATOM 98 O O . ALA A 1 12 ? 3.139 -1.729 0.877 1.00 97.82 12 A 1 ATOM 99 C CB . ALA A 1 12 ? 0.221 -2.471 2.265 1.00 97.57 12 A 1 ATOM 100 N N . ALA A 1 13 ? 1.419 -1.747 -0.562 1.00 98.18 13 A 1 ATOM 101 C CA . ALA A 1 13 ? 2.247 -2.090 -1.714 1.00 98.12 13 A 1 ATOM 102 C C . ALA A 1 13 ? 3.265 -0.993 -2.006 1.00 98.29 13 A 1 ATOM 103 O O . ALA A 1 13 ? 4.431 -1.282 -2.269 1.00 97.72 13 A 1 ATOM 104 C CB . ALA A 1 13 ? 1.359 -2.334 -2.931 1.00 97.68 13 A 1 ATOM 105 N N . LEU A 1 14 ? 2.844 0.264 -1.941 1.00 98.16 14 A 1 ATOM 106 C CA . LEU A 1 14 ? 3.742 1.391 -2.187 1.00 98.05 14 A 1 ATOM 107 C C . LEU A 1 14 ? 4.818 1.477 -1.113 1.00 98.23 14 A 1 ATOM 108 O O . LEU A 1 14 ? 5.983 1.720 -1.418 1.00 97.88 14 A 1 ATOM 109 C CB . LEU A 1 14 ? 2.938 2.690 -2.231 1.00 97.72 14 A 1 ATOM 110 C CG . LEU A 1 14 ? 2.156 2.877 -3.529 1.00 94.66 14 A 1 ATOM 111 C CD1 . LEU A 1 14 ? 1.166 4.016 -3.388 1.00 92.24 14 A 1 ATOM 112 C CD2 . LEU A 1 14 ? 3.106 3.164 -4.691 1.00 92.24 14 A 1 ATOM 113 N N . LEU A 1 15 ? 4.431 1.271 0.129 1.00 98.08 15 A 1 ATOM 114 C CA . LEU A 1 15 ? 5.376 1.303 1.244 1.00 97.94 15 A 1 ATOM 115 C C . LEU A 1 15 ? 6.400 0.183 1.123 1.00 98.00 15 A 1 ATOM 116 O O . LEU A 1 15 ? 7.602 0.412 1.257 1.00 97.64 15 A 1 ATOM 117 C CB . LEU A 1 15 ? 4.611 1.191 2.565 1.00 97.64 15 A 1 ATOM 118 C CG . LEU A 1 15 ? 4.561 2.507 3.338 1.00 94.51 15 A 1 ATOM 119 C CD1 . LEU A 1 15 ? 3.408 2.516 4.323 1.00 91.81 15 A 1 ATOM 120 C CD2 . LEU A 1 15 ? 5.877 2.728 4.071 1.00 91.74 15 A 1 ATOM 121 N N . VAL A 1 16 ? 5.922 -1.024 0.856 1.00 98.13 16 A 1 ATOM 122 C CA . VAL A 1 16 ? 6.807 -2.184 0.713 1.00 97.96 16 A 1 ATOM 123 C C . VAL A 1 16 ? 7.713 -2.018 -0.501 1.00 97.99 16 A 1 ATOM 124 O O . VAL A 1 16 ? 8.903 -2.333 -0.444 1.00 97.61 16 A 1 ATOM 125 C CB . VAL A 1 16 ? 5.981 -3.476 0.608 1.00 97.37 16 A 1 ATOM 126 C CG1 . VAL A 1 16 ? 6.871 -4.669 0.290 1.00 94.75 16 A 1 ATOM 127 C CG2 . VAL A 1 16 ? 5.234 -3.734 1.908 1.00 94.80 16 A 1 ATOM 128 N N . HIS A 1 17 ? 7.170 -1.509 -1.587 1.00 97.69 17 A 1 ATOM 129 C CA . HIS A 1 17 ? 7.949 -1.311 -2.808 1.00 97.48 17 A 1 ATOM 130 C C . HIS A 1 17 ? 9.028 -0.257 -2.594 1.00 97.75 17 A 1 ATOM 131 O O . HIS A 1 17 ? 10.170 -0.437 -3.021 1.00 97.24 17 A 1 ATOM 132 C CB . HIS A 1 17 ? 7.023 -0.896 -3.953 1.00 96.69 17 A 1 ATOM 133 C CG . HIS A 1 17 ? 7.645 -1.108 -5.303 1.00 93.99 17 A 1 ATOM 134 N ND1 . HIS A 1 17 ? 7.917 -2.345 -5.829 1.00 84.42 17 A 1 ATOM 135 C CD2 . HIS A 1 17 ? 8.048 -0.197 -6.226 1.00 86.06 17 A 1 ATOM 136 C CE1 . HIS A 1 17 ? 8.459 -2.195 -7.032 1.00 87.00 17 A 1 ATOM 137 N NE2 . HIS A 1 17 ? 8.553 -0.897 -7.307 1.00 88.55 17 A 1 ATOM 138 N N . SER A 1 18 ? 8.693 0.825 -1.933 1.00 97.88 18 A 1 ATOM 139 C CA . SER A 1 18 ? 9.659 1.883 -1.642 1.00 97.63 18 A 1 ATOM 140 C C . SER A 1 18 ? 10.757 1.371 -0.720 1.00 97.65 18 A 1 ATOM 141 O O . SER A 1 18 ? 11.935 1.673 -0.921 1.00 96.82 18 A 1 ATOM 142 C CB . SER A 1 18 ? 8.956 3.076 -1.006 1.00 96.85 18 A 1 ATOM 143 O OG . SER A 1 18 ? 8.049 3.656 -1.926 1.00 87.45 18 A 1 ATOM 144 N N . ASP A 1 19 ? 10.371 0.596 0.269 1.00 97.48 19 A 1 ATOM 145 C CA . ASP A 1 19 ? 11.332 0.020 1.209 1.00 97.32 19 A 1 ATOM 146 C C . ASP A 1 19 ? 12.227 -0.991 0.503 1.00 97.59 19 A 1 ATOM 147 O O . ASP A 1 19 ? 13.439 -1.034 0.728 1.00 97.08 19 A 1 ATOM 148 C CB . ASP A 1 19 ? 10.585 -0.648 2.366 1.00 96.37 19 A 1 ATOM 149 C CG . ASP A 1 19 ? 11.401 -0.652 3.641 1.00 88.95 19 A 1 ATOM 150 O OD1 . ASP A 1 19 ? 12.627 -0.478 3.573 1.00 85.77 19 A 1 ATOM 151 O OD2 . ASP A 1 19 ? 10.800 -0.830 4.717 1.00 85.72 19 A 1 ATOM 152 N N . ALA A 1 20 ? 11.642 -1.799 -0.377 1.00 97.36 20 A 1 ATOM 153 C CA . ALA A 1 20 ? 12.394 -2.799 -1.131 1.00 97.18 20 A 1 ATOM 154 C C . ALA A 1 20 ? 13.399 -2.137 -2.067 1.00 97.28 20 A 1 ATOM 155 O O . ALA A 1 20 ? 14.524 -2.614 -2.214 1.00 96.48 20 A 1 ATOM 156 C CB . ALA A 1 20 ? 11.432 -3.682 -1.921 1.00 96.44 20 A 1 ATOM 157 N N . LEU A 1 21 ? 13.011 -1.026 -2.685 1.00 96.85 21 A 1 ATOM 158 C CA . LEU A 1 21 ? 13.910 -0.294 -3.575 1.00 96.20 21 A 1 ATOM 159 C C . LEU A 1 21 ? 15.035 0.371 -2.791 1.00 96.34 21 A 1 ATOM 160 O O . LEU A 1 21 ? 16.172 0.426 -3.261 1.00 95.40 21 A 1 ATOM 161 C CB . LEU A 1 21 ? 13.115 0.754 -4.361 1.00 95.38 21 A 1 ATOM 162 C CG . LEU A 1 21 ? 12.419 0.191 -5.602 1.00 91.28 21 A 1 ATOM 163 C CD1 . LEU A 1 21 ? 11.400 1.181 -6.137 1.00 85.95 21 A 1 ATOM 164 C CD2 . LEU A 1 21 ? 13.444 -0.110 -6.697 1.00 81.62 21 A 1 ATOM 165 N N . SER A 1 22 ? 14.735 0.868 -1.611 1.00 95.11 22 A 1 ATOM 166 C CA . SER A 1 22 ? 15.737 1.510 -0.760 1.00 94.64 22 A 1 ATOM 167 C C . SER A 1 22 ? 16.695 0.488 -0.158 1.00 94.30 22 A 1 ATOM 168 O O . SER A 1 22 ? 17.892 0.750 -0.044 1.00 92.27 22 A 1 ATOM 169 C CB . SER A 1 22 ? 15.053 2.293 0.357 1.00 92.51 22 A 1 ATOM 170 O OG . SER A 1 22 ? 14.319 3.376 -0.182 1.00 80.53 22 A 1 ATOM 171 N N . ALA A 1 23 ? 16.164 -0.675 0.234 1.00 93.80 23 A 1 ATOM 172 C CA . ALA A 1 23 ? 16.973 -1.740 0.830 1.00 92.44 23 A 1 ATOM 173 C C . ALA A 1 23 ? 17.554 -2.672 -0.228 1.00 92.16 23 A 1 ATOM 174 O O . ALA A 1 23 ? 18.556 -3.344 0.025 1.00 89.74 23 A 1 ATOM 175 C CB . ALA A 1 23 ? 16.129 -2.530 1.827 1.00 90.80 23 A 1 ATOM 176 N N . ALA A 1 24 ? 16.924 -2.699 -1.426 1.00 90.72 24 A 1 ATOM 177 C CA . ALA A 1 24 ? 17.312 -3.553 -2.559 1.00 87.94 24 A 1 ATOM 178 C C . ALA A 1 24 ? 17.213 -5.029 -2.188 1.00 84.53 24 A 1 ATOM 179 O O . ALA A 1 24 ? 16.414 -5.742 -2.812 1.00 79.96 24 A 1 ATOM 180 C CB . ALA A 1 24 ? 18.723 -3.209 -3.045 1.00 83.55 24 A 1 ATOM 181 O OXT . ALA A 1 24 ? 17.892 -5.447 -1.280 1.00 76.12 24 A 1 #