# 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_spkb08361 # _entry.id spkb08361 # 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 "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "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 ILE y ISOLEUCINE CC[C@H](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 SER 2 1 n ARG 3 1 n GLN 4 1 n GLY 5 1 n ILE 6 1 n SER 7 1 n LEU 8 1 n ARG 9 1 n PHE 10 1 n PRO 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n SER 18 1 n PRO 19 1 n SER 20 1 n PRO 21 1 n VAL 22 1 n LEU 23 1 n PRO 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 @ 2025-07-07 13:05:11)" _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 79.60 _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 68.69 1 1 A SER 2 2 72.80 1 2 A ARG 3 2 70.44 1 3 A GLN 4 2 70.91 1 4 A GLY 5 2 76.06 1 5 A ILE 6 2 73.87 1 6 A SER 7 2 79.55 1 7 A LEU 8 2 78.42 1 8 A ARG 9 2 75.06 1 9 A PHE 10 2 79.74 1 10 A PRO 11 2 85.21 1 11 A LEU 12 2 84.36 1 12 A LEU 13 2 84.84 1 13 A LEU 14 2 83.70 1 14 A LEU 15 2 84.06 1 15 A LEU 16 2 87.34 1 16 A LEU 17 2 87.42 1 17 A SER 18 2 85.68 1 18 A PRO 19 2 85.42 1 19 A SER 20 2 82.18 1 20 A PRO 21 2 83.75 1 21 A VAL 22 2 80.45 1 22 A LEU 23 2 77.30 1 23 A PRO 24 2 80.08 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 SER . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 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 SER . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n PRO . 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 ? -12.083 -15.672 1.366 1.00 74.05 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.383 -14.613 2.122 1.00 76.08 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.304 -13.356 1.267 1.00 75.79 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.702 -13.395 0.197 1.00 69.61 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.969 -15.065 2.500 1.00 71.35 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.980 -16.161 3.566 1.00 65.92 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.320 -16.761 3.941 1.00 61.78 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.686 -17.862 5.312 1.00 54.97 1 A 1 ATOM 9 N N . SER A 1 2 ? -11.911 -12.266 1.699 1.00 75.61 2 A 1 ATOM 10 C CA . SER A 1 2 ? -11.918 -11.008 0.949 1.00 76.93 2 A 1 ATOM 11 C C . SER A 1 2 ? -10.882 -10.044 1.522 1.00 77.05 2 A 1 ATOM 12 O O . SER A 1 2 ? -11.013 -9.589 2.652 1.00 72.53 2 A 1 ATOM 13 C CB . SER A 1 2 ? -13.309 -10.380 0.995 1.00 72.65 2 A 1 ATOM 14 O OG . SER A 1 2 ? -14.266 -11.248 0.419 1.00 62.03 2 A 1 ATOM 15 N N . ARG A 1 3 ? -9.843 -9.737 0.742 1.00 79.42 3 A 1 ATOM 16 C CA . ARG A 1 3 ? -8.769 -8.812 1.135 1.00 81.45 3 A 1 ATOM 17 C C . ARG A 1 3 ? -8.819 -7.503 0.348 1.00 81.54 3 A 1 ATOM 18 O O . ARG A 1 3 ? -7.928 -6.674 0.482 1.00 77.81 3 A 1 ATOM 19 C CB . ARG A 1 3 ? -7.404 -9.487 0.958 1.00 78.07 3 A 1 ATOM 20 C CG . ARG A 1 3 ? -7.230 -10.719 1.836 1.00 71.15 3 A 1 ATOM 21 C CD . ARG A 1 3 ? -5.793 -11.228 1.789 1.00 69.57 3 A 1 ATOM 22 N NE . ARG A 1 3 ? -5.412 -11.672 0.442 1.00 63.55 3 A 1 ATOM 23 C CZ . ARG A 1 3 ? -4.241 -12.212 0.124 1.00 60.27 3 A 1 ATOM 24 N NH1 . ARG A 1 3 ? -3.306 -12.406 1.029 1.00 57.54 3 A 1 ATOM 25 N NH2 . ARG A 1 3 ? -3.996 -12.567 -1.112 1.00 54.45 3 A 1 ATOM 26 N N . GLN A 1 4 ? -9.843 -7.324 -0.470 1.00 78.87 4 A 1 ATOM 27 C CA . GLN A 1 4 ? -9.952 -6.182 -1.382 1.00 79.83 4 A 1 ATOM 28 C C . GLN A 1 4 ? -9.981 -4.839 -0.643 1.00 80.39 4 A 1 ATOM 29 O O . GLN A 1 4 ? -9.353 -3.879 -1.087 1.00 75.78 4 A 1 ATOM 30 C CB . GLN A 1 4 ? -11.197 -6.345 -2.249 1.00 75.65 4 A 1 ATOM 31 C CG . GLN A 1 4 ? -11.051 -7.479 -3.264 1.00 68.02 4 A 1 ATOM 32 C CD . GLN A 1 4 ? -12.333 -7.734 -4.043 1.00 63.63 4 A 1 ATOM 33 O OE1 . GLN A 1 4 ? -13.422 -7.441 -3.582 1.00 59.83 4 A 1 ATOM 34 N NE2 . GLN A 1 4 ? -12.234 -8.290 -5.230 1.00 56.23 4 A 1 ATOM 35 N N . GLY A 1 5 ? -10.671 -4.778 0.487 1.00 75.84 5 A 1 ATOM 36 C CA . GLY A 1 5 ? -10.742 -3.544 1.275 1.00 76.09 5 A 1 ATOM 37 C C . GLY A 1 5 ? -9.387 -3.102 1.812 1.00 78.04 5 A 1 ATOM 38 O O . GLY A 1 5 ? -9.056 -1.920 1.789 1.00 74.28 5 A 1 ATOM 39 N N . ILE A 1 6 ? -8.572 -4.048 2.265 1.00 78.72 6 A 1 ATOM 40 C CA . ILE A 1 6 ? -7.227 -3.768 2.780 1.00 78.57 6 A 1 ATOM 41 C C . ILE A 1 6 ? -6.270 -3.439 1.632 1.00 79.46 6 A 1 ATOM 42 O O . ILE A 1 6 ? -5.456 -2.520 1.743 1.00 75.54 6 A 1 ATOM 43 C CB . ILE A 1 6 ? -6.712 -4.953 3.618 1.00 76.50 6 A 1 ATOM 44 C CG1 . ILE A 1 6 ? -7.657 -5.228 4.800 1.00 70.97 6 A 1 ATOM 45 C CG2 . ILE A 1 6 ? -5.295 -4.671 4.127 1.00 68.39 6 A 1 ATOM 46 C CD1 . ILE A 1 6 ? -7.376 -6.544 5.518 1.00 62.81 6 A 1 ATOM 47 N N . SER A 1 7 ? -6.392 -4.157 0.511 1.00 81.93 7 A 1 ATOM 48 C CA . SER A 1 7 ? -5.534 -3.964 -0.660 1.00 83.41 7 A 1 ATOM 49 C C . SER A 1 7 ? -5.682 -2.577 -1.284 1.00 83.83 7 A 1 ATOM 50 O O . SER A 1 7 ? -4.753 -2.091 -1.924 1.00 80.92 7 A 1 ATOM 51 C CB . SER A 1 7 ? -5.828 -5.028 -1.716 1.00 79.68 7 A 1 ATOM 52 O OG . SER A 1 7 ? -5.524 -6.315 -1.219 1.00 67.50 7 A 1 ATOM 53 N N . LEU A 1 8 ? -6.826 -1.932 -1.103 1.00 82.52 8 A 1 ATOM 54 C CA . LEU A 1 8 ? -7.047 -0.575 -1.609 1.00 82.74 8 A 1 ATOM 55 C C . LEU A 1 8 ? -6.454 0.486 -0.679 1.00 84.59 8 A 1 ATOM 56 O O . LEU A 1 8 ? -5.961 1.514 -1.139 1.00 81.67 8 A 1 ATOM 57 C CB . LEU A 1 8 ? -8.550 -0.342 -1.795 1.00 80.87 8 A 1 ATOM 58 C CG . LEU A 1 8 ? -9.136 -1.020 -3.037 1.00 74.67 8 A 1 ATOM 59 C CD1 . LEU A 1 8 ? -10.654 -1.060 -2.946 1.00 71.14 8 A 1 ATOM 60 C CD2 . LEU A 1 8 ? -8.729 -0.279 -4.304 1.00 69.18 8 A 1 ATOM 61 N N . ARG A 1 9 ? -6.494 0.237 0.624 1.00 83.56 9 A 1 ATOM 62 C CA . ARG A 1 9 ? -5.990 1.189 1.619 1.00 84.22 9 A 1 ATOM 63 C C . ARG A 1 9 ? -4.468 1.170 1.727 1.00 85.57 9 A 1 ATOM 64 O O . ARG A 1 9 ? -3.860 2.210 1.983 1.00 83.50 9 A 1 ATOM 65 C CB . ARG A 1 9 ? -6.614 0.893 2.986 1.00 82.36 9 A 1 ATOM 66 C CG . ARG A 1 9 ? -8.104 1.223 3.007 1.00 76.65 9 A 1 ATOM 67 C CD . ARG A 1 9 ? -8.704 0.903 4.364 1.00 74.93 9 A 1 ATOM 68 N NE . ARG A 1 9 ? -10.129 1.247 4.414 1.00 69.37 9 A 1 ATOM 69 C CZ . ARG A 1 9 ? -10.890 1.176 5.494 1.00 65.06 9 A 1 ATOM 70 N NH1 . ARG A 1 9 ? -10.400 0.761 6.647 1.00 59.55 9 A 1 ATOM 71 N NH2 . ARG A 1 9 ? -12.154 1.513 5.431 1.00 60.91 9 A 1 ATOM 72 N N . PHE A 1 10 ? -3.853 0.019 1.514 1.00 83.48 10 A 1 ATOM 73 C CA . PHE A 1 10 ? -2.404 -0.132 1.624 1.00 84.12 10 A 1 ATOM 74 C C . PHE A 1 10 ? -1.613 0.766 0.659 1.00 85.88 10 A 1 ATOM 75 O O . PHE A 1 10 ? -0.725 1.485 1.124 1.00 84.17 10 A 1 ATOM 76 C CB . PHE A 1 10 ? -2.023 -1.606 1.472 1.00 83.03 10 A 1 ATOM 77 C CG . PHE A 1 10 ? -0.552 -1.854 1.660 1.00 78.96 10 A 1 ATOM 78 C CD1 . PHE A 1 10 ? 0.009 -1.838 2.936 1.00 76.53 10 A 1 ATOM 79 C CD2 . PHE A 1 10 ? 0.267 -2.083 0.559 1.00 76.24 10 A 1 ATOM 80 C CE1 . PHE A 1 10 ? 1.371 -2.053 3.117 1.00 74.63 10 A 1 ATOM 81 C CE2 . PHE A 1 10 ? 1.637 -2.294 0.728 1.00 74.88 10 A 1 ATOM 82 C CZ . PHE A 1 10 ? 2.188 -2.279 2.011 1.00 75.27 10 A 1 ATOM 83 N N . PRO A 1 11 ? -1.906 0.786 -0.662 1.00 86.30 11 A 1 ATOM 84 C CA . PRO A 1 11 ? -1.165 1.660 -1.585 1.00 85.90 11 A 1 ATOM 85 C C . PRO A 1 11 ? -1.384 3.143 -1.295 1.00 86.71 11 A 1 ATOM 86 O O . PRO A 1 11 ? -0.470 3.944 -1.471 1.00 84.65 11 A 1 ATOM 87 C CB . PRO A 1 11 ? -1.683 1.279 -2.977 1.00 83.99 11 A 1 ATOM 88 C CG . PRO A 1 11 ? -3.012 0.638 -2.729 1.00 82.79 11 A 1 ATOM 89 C CD . PRO A 1 11 ? -2.871 -0.027 -1.380 1.00 86.10 11 A 1 ATOM 90 N N . LEU A 1 12 ? -2.561 3.517 -0.819 1.00 87.07 12 A 1 ATOM 91 C CA . LEU A 1 12 ? -2.845 4.897 -0.432 1.00 87.61 12 A 1 ATOM 92 C C . LEU A 1 12 ? -2.011 5.307 0.782 1.00 88.61 12 A 1 ATOM 93 O O . LEU A 1 12 ? -1.473 6.413 0.824 1.00 87.19 12 A 1 ATOM 94 C CB . LEU A 1 12 ? -4.336 5.056 -0.128 1.00 86.90 12 A 1 ATOM 95 C CG . LEU A 1 12 ? -5.239 5.017 -1.360 1.00 81.79 12 A 1 ATOM 96 C CD1 . LEU A 1 12 ? -6.692 4.896 -0.935 1.00 77.66 12 A 1 ATOM 97 C CD2 . LEU A 1 12 ? -5.065 6.278 -2.206 1.00 78.01 12 A 1 ATOM 98 N N . LEU A 1 13 ? -1.896 4.419 1.758 1.00 88.80 13 A 1 ATOM 99 C CA . LEU A 1 13 ? -1.074 4.672 2.938 1.00 88.11 13 A 1 ATOM 100 C C . LEU A 1 13 ? 0.411 4.728 2.575 1.00 88.77 13 A 1 ATOM 101 O O . LEU A 1 13 ? 1.152 5.553 3.111 1.00 87.66 13 A 1 ATOM 102 C CB . LEU A 1 13 ? -1.337 3.584 3.982 1.00 87.57 13 A 1 ATOM 103 C CG . LEU A 1 13 ? -0.897 3.974 5.390 1.00 81.46 13 A 1 ATOM 104 C CD1 . LEU A 1 13 ? -1.873 4.971 6.012 1.00 78.13 13 A 1 ATOM 105 C CD2 . LEU A 1 13 ? -0.811 2.736 6.272 1.00 78.26 13 A 1 ATOM 106 N N . LEU A 1 14 ? 0.841 3.873 1.654 1.00 87.75 14 A 1 ATOM 107 C CA . LEU A 1 14 ? 2.227 3.810 1.193 1.00 86.73 14 A 1 ATOM 108 C C . LEU A 1 14 ? 2.664 5.126 0.556 1.00 87.23 14 A 1 ATOM 109 O O . LEU A 1 14 ? 3.734 5.642 0.877 1.00 86.18 14 A 1 ATOM 110 C CB . LEU A 1 14 ? 2.384 2.662 0.191 1.00 85.53 14 A 1 ATOM 111 C CG . LEU A 1 14 ? 3.840 2.326 -0.135 1.00 80.78 14 A 1 ATOM 112 C CD1 . LEU A 1 14 ? 4.410 1.358 0.896 1.00 77.87 14 A 1 ATOM 113 C CD2 . LEU A 1 14 ? 3.939 1.714 -1.523 1.00 77.53 14 A 1 ATOM 114 N N . LEU A 1 15 ? 1.843 5.692 -0.330 1.00 87.67 15 A 1 ATOM 115 C CA . LEU A 1 15 ? 2.172 6.955 -0.991 1.00 87.06 15 A 1 ATOM 116 C C . LEU A 1 15 ? 2.176 8.127 -0.008 1.00 88.09 15 A 1 ATOM 117 O O . LEU A 1 15 ? 2.936 9.080 -0.192 1.00 87.06 15 A 1 ATOM 118 C CB . LEU A 1 15 ? 1.222 7.200 -2.176 1.00 86.02 15 A 1 ATOM 119 C CG . LEU A 1 15 ? -0.219 7.589 -1.827 1.00 81.35 15 A 1 ATOM 120 C CD1 . LEU A 1 15 ? -0.378 9.109 -1.723 1.00 77.60 15 A 1 ATOM 121 C CD2 . LEU A 1 15 ? -1.159 7.075 -2.903 1.00 77.65 15 A 1 ATOM 122 N N . LEU A 1 16 ? 1.358 8.066 1.036 1.00 90.08 16 A 1 ATOM 123 C CA . LEU A 1 16 ? 1.332 9.094 2.072 1.00 89.65 16 A 1 ATOM 124 C C . LEU A 1 16 ? 2.579 9.032 2.954 1.00 90.23 16 A 1 ATOM 125 O O . LEU A 1 16 ? 3.127 10.072 3.325 1.00 88.64 16 A 1 ATOM 126 C CB . LEU A 1 16 ? 0.068 8.937 2.925 1.00 89.43 16 A 1 ATOM 127 C CG . LEU A 1 16 ? -1.225 9.387 2.231 1.00 86.10 16 A 1 ATOM 128 C CD1 . LEU A 1 16 ? -2.436 8.901 3.019 1.00 82.09 16 A 1 ATOM 129 C CD2 . LEU A 1 16 ? -1.283 10.904 2.101 1.00 82.52 16 A 1 ATOM 130 N N . LEU A 1 17 ? 3.032 7.820 3.276 1.00 91.86 17 A 1 ATOM 131 C CA . LEU A 1 17 ? 4.220 7.609 4.099 1.00 90.59 17 A 1 ATOM 132 C C . LEU A 1 17 ? 5.506 7.842 3.311 1.00 90.92 17 A 1 ATOM 133 O O . LEU A 1 17 ? 6.474 8.389 3.849 1.00 88.44 17 A 1 ATOM 134 C CB . LEU A 1 17 ? 4.192 6.188 4.667 1.00 89.40 17 A 1 ATOM 135 C CG . LEU A 1 17 ? 3.169 5.983 5.792 1.00 86.04 17 A 1 ATOM 136 C CD1 . LEU A 1 17 ? 2.927 4.497 6.013 1.00 81.01 17 A 1 ATOM 137 C CD2 . LEU A 1 17 ? 3.658 6.616 7.088 1.00 81.12 17 A 1 ATOM 138 N N . SER A 1 18 ? 5.534 7.442 2.044 1.00 89.71 18 A 1 ATOM 139 C CA . SER A 1 18 ? 6.700 7.564 1.176 1.00 88.37 18 A 1 ATOM 140 C C . SER A 1 18 ? 6.289 8.119 -0.191 1.00 87.53 18 A 1 ATOM 141 O O . SER A 1 18 ? 6.013 7.360 -1.117 1.00 84.76 18 A 1 ATOM 142 C CB . SER A 1 18 ? 7.385 6.206 1.037 1.00 86.48 18 A 1 ATOM 143 O OG . SER A 1 18 ? 8.620 6.346 0.372 1.00 77.21 18 A 1 ATOM 144 N N . PRO A 1 19 ? 6.249 9.453 -0.339 1.00 88.56 19 A 1 ATOM 145 C CA . PRO A 1 19 ? 5.844 10.096 -1.592 1.00 87.18 19 A 1 ATOM 146 C C . PRO A 1 19 ? 6.894 9.992 -2.702 1.00 87.19 19 A 1 ATOM 147 O O . PRO A 1 19 ? 6.629 10.387 -3.836 1.00 83.11 19 A 1 ATOM 148 C CB . PRO A 1 19 ? 5.594 11.555 -1.190 1.00 84.52 19 A 1 ATOM 149 C CG . PRO A 1 19 ? 6.502 11.787 -0.019 1.00 82.24 19 A 1 ATOM 150 C CD . PRO A 1 19 ? 6.543 10.447 0.700 1.00 85.12 19 A 1 ATOM 151 N N . SER A 1 20 ? 8.079 9.472 -2.393 1.00 86.42 20 A 1 ATOM 152 C CA . SER A 1 20 ? 9.172 9.310 -3.350 1.00 85.64 20 A 1 ATOM 153 C C . SER A 1 20 ? 9.659 7.857 -3.391 1.00 85.05 20 A 1 ATOM 154 O O . SER A 1 20 ? 10.740 7.548 -2.885 1.00 82.07 20 A 1 ATOM 155 C CB . SER A 1 20 ? 10.312 10.266 -3.002 1.00 82.25 20 A 1 ATOM 156 O OG . SER A 1 20 ? 11.267 10.296 -4.042 1.00 71.65 20 A 1 ATOM 157 N N . PRO A 1 21 ? 8.868 6.935 -3.972 1.00 86.27 21 A 1 ATOM 158 C CA . PRO A 1 21 ? 9.286 5.550 -4.128 1.00 85.16 21 A 1 ATOM 159 C C . PRO A 1 21 ? 10.287 5.413 -5.276 1.00 85.28 21 A 1 ATOM 160 O O . PRO A 1 21 ? 10.077 5.944 -6.368 1.00 81.44 21 A 1 ATOM 161 C CB . PRO A 1 21 ? 7.985 4.796 -4.418 1.00 82.86 21 A 1 ATOM 162 C CG . PRO A 1 21 ? 7.108 5.809 -5.098 1.00 80.96 21 A 1 ATOM 163 C CD . PRO A 1 21 ? 7.517 7.150 -4.511 1.00 84.25 21 A 1 ATOM 164 N N . VAL A 1 22 ? 11.381 4.693 -5.031 1.00 86.29 22 A 1 ATOM 165 C CA . VAL A 1 22 ? 12.385 4.423 -6.064 1.00 84.62 22 A 1 ATOM 166 C C . VAL A 1 22 ? 11.975 3.175 -6.830 1.00 84.30 22 A 1 ATOM 167 O O . VAL A 1 22 ? 11.913 2.086 -6.260 1.00 81.13 22 A 1 ATOM 168 C CB . VAL A 1 22 ? 13.785 4.264 -5.447 1.00 81.14 22 A 1 ATOM 169 C CG1 . VAL A 1 22 ? 14.829 4.001 -6.534 1.00 72.13 22 A 1 ATOM 170 C CG2 . VAL A 1 22 ? 14.179 5.513 -4.672 1.00 73.54 22 A 1 ATOM 171 N N . LEU A 1 23 ? 11.672 3.334 -8.107 1.00 83.87 23 A 1 ATOM 172 C CA . LEU A 1 23 ? 11.313 2.227 -8.988 1.00 82.51 23 A 1 ATOM 173 C C . LEU A 1 23 ? 12.498 1.872 -9.887 1.00 83.12 23 A 1 ATOM 174 O O . LEU A 1 23 ? 13.200 2.775 -10.351 1.00 81.21 23 A 1 ATOM 175 C CB . LEU A 1 23 ? 10.080 2.590 -9.827 1.00 79.90 23 A 1 ATOM 176 C CG . LEU A 1 23 ? 8.923 1.606 -9.674 1.00 73.15 23 A 1 ATOM 177 C CD1 . LEU A 1 23 ? 8.127 1.889 -8.410 1.00 68.54 23 A 1 ATOM 178 C CD2 . LEU A 1 23 ? 7.989 1.697 -10.878 1.00 66.11 23 A 1 ATOM 179 N N . PRO A 1 24 ? 12.740 0.565 -10.139 1.00 83.90 24 A 1 ATOM 180 C CA . PRO A 1 24 ? 13.799 0.129 -11.058 1.00 83.92 24 A 1 ATOM 181 C C . PRO A 1 24 ? 13.474 0.454 -12.522 1.00 82.01 24 A 1 ATOM 182 O O . PRO A 1 24 ? 12.292 0.564 -12.871 1.00 77.19 24 A 1 ATOM 183 C CB . PRO A 1 24 ? 13.884 -1.381 -10.827 1.00 77.63 24 A 1 ATOM 184 C CG . PRO A 1 24 ? 12.514 -1.761 -10.361 1.00 77.26 24 A 1 ATOM 185 C CD . PRO A 1 24 ? 12.026 -0.562 -9.567 1.00 82.21 24 A 1 ATOM 186 O OXT . PRO A 1 24 ? 14.436 0.563 -13.323 1.00 76.50 24 A 1 #