# 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_spkb14902 # _entry.id spkb14902 # 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" "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" "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 ALA 2 1 n SER 3 1 n SER 4 1 n SER 5 1 n LEU 6 1 n GLN 7 1 n SER 8 1 n LEU 9 1 n PHE 10 1 n SER 11 1 n LEU 12 1 n PHE 13 1 n CYS 14 1 n LEU 15 1 n ALA 16 1 n LEU 17 1 n PHE 18 1 n SER 19 1 n LEU 20 1 n PRO 21 1 n LEU 22 1 n ILE 23 1 n VAL 24 1 n SER 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 @ 2025-07-08 16:18:32)" _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 87.11 _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 67.80 1 1 A ALA 2 2 74.36 1 2 A SER 3 2 80.52 1 3 A SER 4 2 82.89 1 4 A SER 5 2 86.21 1 5 A LEU 6 2 85.33 1 6 A GLN 7 2 83.01 1 7 A SER 8 2 90.65 1 8 A LEU 9 2 89.27 1 9 A PHE 10 2 91.38 1 10 A SER 11 2 91.94 1 11 A LEU 12 2 90.55 1 12 A PHE 13 2 92.28 1 13 A CYS 14 2 92.67 1 14 A LEU 15 2 90.36 1 15 A ALA 16 2 94.30 1 16 A LEU 17 2 90.65 1 17 A PHE 18 2 88.44 1 18 A SER 19 2 90.89 1 19 A LEU 20 2 87.19 1 20 A PRO 21 2 91.13 1 21 A LEU 22 2 86.18 1 22 A ILE 23 2 86.84 1 23 A VAL 24 2 87.72 1 24 A SER 25 2 86.09 1 25 A SER 26 2 81.75 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 ALA . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n GLN . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ILE . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n SER . 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 ? -0.281 12.212 14.078 1.00 71.99 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.096 10.762 13.856 1.00 75.37 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.811 10.201 14.945 1.00 76.38 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.011 10.440 14.914 1.00 71.34 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.521 10.505 12.481 1.00 69.24 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.431 10.925 11.365 1.00 64.62 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.396 10.952 9.763 1.00 59.37 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.921 11.611 8.747 1.00 54.08 1 A 1 ATOM 9 N N . ALA A 1 2 ? 0.221 9.518 15.916 1.00 72.05 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 0.986 8.977 17.047 1.00 77.07 2 A 1 ATOM 11 C C . ALA A 1 2 ? 1.679 7.659 16.685 1.00 78.16 2 A 1 ATOM 12 O O . ALA A 1 2 ? 2.780 7.385 17.154 1.00 73.46 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 0.048 8.788 18.241 1.00 71.05 2 A 1 ATOM 14 N N . SER A 1 3 ? 1.048 6.847 15.837 1.00 81.19 3 A 1 ATOM 15 C CA . SER A 1 3 ? 1.596 5.551 15.436 1.00 85.47 3 A 1 ATOM 16 C C . SER A 1 3 ? 2.056 5.588 13.977 1.00 86.94 3 A 1 ATOM 17 O O . SER A 1 3 ? 1.243 5.565 13.058 1.00 81.34 3 A 1 ATOM 18 C CB . SER A 1 3 ? 0.547 4.465 15.659 1.00 79.64 3 A 1 ATOM 19 O OG . SER A 1 3 ? -0.670 4.781 15.027 1.00 68.53 3 A 1 ATOM 20 N N . SER A 1 4 ? 3.356 5.631 13.763 1.00 85.40 4 A 1 ATOM 21 C CA . SER A 1 4 ? 3.940 5.616 12.415 1.00 87.76 4 A 1 ATOM 22 C C . SER A 1 4 ? 4.207 4.196 11.913 1.00 89.06 4 A 1 ATOM 23 O O . SER A 1 4 ? 4.386 3.983 10.713 1.00 82.42 4 A 1 ATOM 24 C CB . SER A 1 4 ? 5.231 6.431 12.416 1.00 82.25 4 A 1 ATOM 25 O OG . SER A 1 4 ? 6.093 5.995 13.438 1.00 70.43 4 A 1 ATOM 26 N N . SER A 1 5 ? 4.213 3.222 12.814 1.00 87.50 5 A 1 ATOM 27 C CA . SER A 1 5 ? 4.470 1.820 12.465 1.00 90.61 5 A 1 ATOM 28 C C . SER A 1 5 ? 3.359 1.240 11.590 1.00 91.99 5 A 1 ATOM 29 O O . SER A 1 5 ? 3.633 0.507 10.638 1.00 88.98 5 A 1 ATOM 30 C CB . SER A 1 5 ? 4.624 0.990 13.744 1.00 85.74 5 A 1 ATOM 31 O OG . SER A 1 5 ? 3.509 1.140 14.591 1.00 72.43 5 A 1 ATOM 32 N N . LEU A 1 6 ? 2.106 1.593 11.871 1.00 90.25 6 A 1 ATOM 33 C CA . LEU A 1 6 ? 0.961 1.114 11.095 1.00 91.38 6 A 1 ATOM 34 C C . LEU A 1 6 ? 0.977 1.684 9.677 1.00 92.74 6 A 1 ATOM 35 O O . LEU A 1 6 ? 0.717 0.959 8.719 1.00 91.93 6 A 1 ATOM 36 C CB . LEU A 1 6 ? -0.339 1.490 11.814 1.00 90.08 6 A 1 ATOM 37 C CG . LEU A 1 6 ? -0.706 0.519 12.935 1.00 80.93 6 A 1 ATOM 38 C CD1 . LEU A 1 6 ? -1.675 1.174 13.905 1.00 73.17 6 A 1 ATOM 39 C CD2 . LEU A 1 6 ? -1.352 -0.741 12.357 1.00 72.19 6 A 1 ATOM 40 N N . GLN A 1 7 ? 1.310 2.953 9.527 1.00 91.43 7 A 1 ATOM 41 C CA . GLN A 1 7 ? 1.379 3.592 8.209 1.00 91.87 7 A 1 ATOM 42 C C . GLN A 1 7 ? 2.497 3.001 7.357 1.00 93.02 7 A 1 ATOM 43 O O . GLN A 1 7 ? 2.315 2.806 6.156 1.00 91.96 7 A 1 ATOM 44 C CB . GLN A 1 7 ? 1.574 5.094 8.363 1.00 90.26 7 A 1 ATOM 45 C CG . GLN A 1 7 ? 0.269 5.798 8.687 1.00 80.85 7 A 1 ATOM 46 C CD . GLN A 1 7 ? 0.422 7.303 8.578 1.00 74.58 7 A 1 ATOM 47 O OE1 . GLN A 1 7 ? 1.026 7.943 9.419 1.00 69.15 7 A 1 ATOM 48 N NE2 . GLN A 1 7 ? -0.108 7.903 7.538 1.00 64.01 7 A 1 ATOM 49 N N . SER A 1 8 ? 3.624 2.693 7.958 1.00 92.54 8 A 1 ATOM 50 C CA . SER A 1 8 ? 4.761 2.114 7.240 1.00 93.74 8 A 1 ATOM 51 C C . SER A 1 8 ? 4.424 0.723 6.702 1.00 94.79 8 A 1 ATOM 52 O O . SER A 1 8 ? 4.691 0.422 5.541 1.00 92.66 8 A 1 ATOM 53 C CB . SER A 1 8 ? 5.973 2.052 8.168 1.00 91.34 8 A 1 ATOM 54 O OG . SER A 1 8 ? 7.116 1.671 7.434 1.00 78.84 8 A 1 ATOM 55 N N . LEU A 1 9 ? 3.802 -0.114 7.526 1.00 93.45 9 A 1 ATOM 56 C CA . LEU A 1 9 ? 3.420 -1.469 7.125 1.00 94.18 9 A 1 ATOM 57 C C . LEU A 1 9 ? 2.285 -1.444 6.101 1.00 94.99 9 A 1 ATOM 58 O O . LEU A 1 9 ? 2.341 -2.135 5.085 1.00 94.63 9 A 1 ATOM 59 C CB . LEU A 1 9 ? 3.012 -2.270 8.366 1.00 93.40 9 A 1 ATOM 60 C CG . LEU A 1 9 ? 3.118 -3.786 8.168 1.00 84.73 9 A 1 ATOM 61 C CD1 . LEU A 1 9 ? 4.563 -4.246 8.374 1.00 79.30 9 A 1 ATOM 62 C CD2 . LEU A 1 9 ? 2.208 -4.512 9.147 1.00 79.51 9 A 1 ATOM 63 N N . PHE A 1 10 ? 1.265 -0.628 6.344 1.00 93.99 10 A 1 ATOM 64 C CA . PHE A 1 10 ? 0.099 -0.526 5.468 1.00 94.14 10 A 1 ATOM 65 C C . PHE A 1 10 ? 0.470 0.083 4.119 1.00 94.87 10 A 1 ATOM 66 O O . PHE A 1 10 ? -0.038 -0.349 3.091 1.00 94.68 10 A 1 ATOM 67 C CB . PHE A 1 10 ? -0.979 0.307 6.161 1.00 93.48 10 A 1 ATOM 68 C CG . PHE A 1 10 ? -2.371 -0.075 5.721 1.00 91.64 10 A 1 ATOM 69 C CD1 . PHE A 1 10 ? -2.994 0.594 4.670 1.00 87.97 10 A 1 ATOM 70 C CD2 . PHE A 1 10 ? -3.039 -1.113 6.370 1.00 89.62 10 A 1 ATOM 71 C CE1 . PHE A 1 10 ? -4.276 0.236 4.264 1.00 88.12 10 A 1 ATOM 72 C CE2 . PHE A 1 10 ? -4.324 -1.475 5.965 1.00 88.36 10 A 1 ATOM 73 C CZ . PHE A 1 10 ? -4.944 -0.801 4.912 1.00 88.30 10 A 1 ATOM 74 N N . SER A 1 11 ? 1.360 1.042 4.105 1.00 94.29 11 A 1 ATOM 75 C CA . SER A 1 11 ? 1.799 1.691 2.866 1.00 94.64 11 A 1 ATOM 76 C C . SER A 1 11 ? 2.527 0.706 1.952 1.00 95.16 11 A 1 ATOM 77 O O . SER A 1 11 ? 2.269 0.664 0.752 1.00 93.68 11 A 1 ATOM 78 C CB . SER A 1 11 ? 2.703 2.872 3.200 1.00 93.11 11 A 1 ATOM 79 O OG . SER A 1 11 ? 2.980 3.604 2.031 1.00 80.77 11 A 1 ATOM 80 N N . LEU A 1 12 ? 3.405 -0.104 2.513 1.00 94.64 12 A 1 ATOM 81 C CA . LEU A 1 12 ? 4.147 -1.104 1.743 1.00 94.66 12 A 1 ATOM 82 C C . LEU A 1 12 ? 3.216 -2.200 1.218 1.00 95.21 12 A 1 ATOM 83 O O . LEU A 1 12 ? 3.316 -2.609 0.062 1.00 94.42 12 A 1 ATOM 84 C CB . LEU A 1 12 ? 5.247 -1.706 2.624 1.00 93.97 12 A 1 ATOM 85 C CG . LEU A 1 12 ? 6.478 -2.135 1.820 1.00 85.64 12 A 1 ATOM 86 C CD1 . LEU A 1 12 ? 7.427 -0.949 1.636 1.00 82.68 12 A 1 ATOM 87 C CD2 . LEU A 1 12 ? 7.203 -3.266 2.525 1.00 83.18 12 A 1 ATOM 88 N N . PHE A 1 13 ? 2.296 -2.664 2.063 1.00 94.64 13 A 1 ATOM 89 C CA . PHE A 1 13 ? 1.345 -3.711 1.701 1.00 94.56 13 A 1 ATOM 90 C C . PHE A 1 13 ? 0.354 -3.214 0.648 1.00 94.94 13 A 1 ATOM 91 O O . PHE A 1 13 ? 0.010 -3.946 -0.280 1.00 94.40 13 A 1 ATOM 92 C CB . PHE A 1 13 ? 0.626 -4.177 2.968 1.00 94.28 13 A 1 ATOM 93 C CG . PHE A 1 13 ? 0.126 -5.599 2.858 1.00 92.98 13 A 1 ATOM 94 C CD1 . PHE A 1 13 ? 1.020 -6.667 2.948 1.00 89.11 13 A 1 ATOM 95 C CD2 . PHE A 1 13 ? -1.231 -5.852 2.667 1.00 90.79 13 A 1 ATOM 96 C CE1 . PHE A 1 13 ? 0.566 -7.980 2.846 1.00 89.30 13 A 1 ATOM 97 C CE2 . PHE A 1 13 ? -1.689 -7.168 2.560 1.00 89.89 13 A 1 ATOM 98 C CZ . PHE A 1 13 ? -0.792 -8.229 2.648 1.00 90.24 13 A 1 ATOM 99 N N . CYS A 1 14 ? -0.091 -1.980 0.761 1.00 94.20 14 A 1 ATOM 100 C CA . CYS A 1 14 ? -1.009 -1.377 -0.205 1.00 94.25 14 A 1 ATOM 101 C C . CYS A 1 14 ? -0.369 -1.278 -1.590 1.00 94.02 14 A 1 ATOM 102 O O . CYS A 1 14 ? -1.028 -1.523 -2.590 1.00 92.14 14 A 1 ATOM 103 C CB . CYS A 1 14 ? -1.433 0.014 0.277 1.00 92.85 14 A 1 ATOM 104 S SG . CYS A 1 14 ? -2.993 -0.059 1.173 1.00 88.55 14 A 1 ATOM 105 N N . LEU A 1 15 ? 0.897 -0.940 -1.657 1.00 94.49 15 A 1 ATOM 106 C CA . LEU A 1 15 ? 1.607 -0.815 -2.930 1.00 93.67 15 A 1 ATOM 107 C C . LEU A 1 15 ? 1.635 -2.150 -3.679 1.00 94.03 15 A 1 ATOM 108 O O . LEU A 1 15 ? 1.398 -2.197 -4.885 1.00 92.92 15 A 1 ATOM 109 C CB . LEU A 1 15 ? 3.032 -0.313 -2.672 1.00 92.77 15 A 1 ATOM 110 C CG . LEU A 1 15 ? 3.547 0.584 -3.800 1.00 86.73 15 A 1 ATOM 111 C CD1 . LEU A 1 15 ? 3.243 2.046 -3.495 1.00 83.95 15 A 1 ATOM 112 C CD2 . LEU A 1 15 ? 5.039 0.398 -3.986 1.00 84.30 15 A 1 ATOM 113 N N . ALA A 1 16 ? 1.904 -3.240 -2.958 1.00 94.86 16 A 1 ATOM 114 C CA . ALA A 1 16 ? 1.943 -4.574 -3.555 1.00 94.63 16 A 1 ATOM 115 C C . ALA A 1 16 ? 0.553 -5.026 -4.023 1.00 94.96 16 A 1 ATOM 116 O O . ALA A 1 16 ? 0.413 -5.580 -5.111 1.00 93.19 16 A 1 ATOM 117 C CB . ALA A 1 16 ? 2.524 -5.559 -2.537 1.00 93.87 16 A 1 ATOM 118 N N . LEU A 1 17 ? -0.477 -4.764 -3.225 1.00 94.30 17 A 1 ATOM 119 C CA . LEU A 1 17 ? -1.853 -5.135 -3.566 1.00 93.81 17 A 1 ATOM 120 C C . LEU A 1 17 ? -2.408 -4.280 -4.704 1.00 93.96 17 A 1 ATOM 121 O O . LEU A 1 17 ? -3.185 -4.774 -5.522 1.00 92.77 17 A 1 ATOM 122 C CB . LEU A 1 17 ? -2.735 -5.005 -2.318 1.00 92.60 17 A 1 ATOM 123 C CG . LEU A 1 17 ? -2.632 -6.199 -1.369 1.00 88.44 17 A 1 ATOM 124 C CD1 . LEU A 1 17 ? -3.243 -5.838 -0.021 1.00 84.88 17 A 1 ATOM 125 C CD2 . LEU A 1 17 ? -3.364 -7.415 -1.938 1.00 84.45 17 A 1 ATOM 126 N N . PHE A 1 18 ? -2.021 -3.015 -4.782 1.00 93.55 18 A 1 ATOM 127 C CA . PHE A 1 18 ? -2.501 -2.097 -5.815 1.00 92.54 18 A 1 ATOM 128 C C . PHE A 1 18 ? -1.809 -2.334 -7.154 1.00 93.66 18 A 1 ATOM 129 O O . PHE A 1 18 ? -2.381 -2.050 -8.202 1.00 92.59 18 A 1 ATOM 130 C CB . PHE A 1 18 ? -2.297 -0.650 -5.353 1.00 91.19 18 A 1 ATOM 131 C CG . PHE A 1 18 ? -3.558 0.174 -5.475 1.00 88.57 18 A 1 ATOM 132 C CD1 . PHE A 1 18 ? -3.845 0.858 -6.656 1.00 84.86 18 A 1 ATOM 133 C CD2 . PHE A 1 18 ? -4.445 0.252 -4.404 1.00 84.91 18 A 1 ATOM 134 C CE1 . PHE A 1 18 ? -5.010 1.617 -6.769 1.00 83.66 18 A 1 ATOM 135 C CE2 . PHE A 1 18 ? -5.613 1.011 -4.515 1.00 83.73 18 A 1 ATOM 136 C CZ . PHE A 1 18 ? -5.896 1.694 -5.695 1.00 83.56 18 A 1 ATOM 137 N N . SER A 1 19 ? -0.602 -2.866 -7.142 1.00 94.06 19 A 1 ATOM 138 C CA . SER A 1 19 ? 0.146 -3.104 -8.380 1.00 93.79 19 A 1 ATOM 139 C C . SER A 1 19 ? -0.411 -4.288 -9.175 1.00 93.76 19 A 1 ATOM 140 O O . SER A 1 19 ? -0.393 -4.269 -10.405 1.00 90.56 19 A 1 ATOM 141 C CB . SER A 1 19 ? 1.628 -3.324 -8.053 1.00 91.48 19 A 1 ATOM 142 O OG . SER A 1 19 ? 1.817 -4.486 -7.287 1.00 81.68 19 A 1 ATOM 143 N N . LEU A 1 20 ? -0.927 -5.309 -8.502 1.00 92.24 20 A 1 ATOM 144 C CA . LEU A 1 20 ? -1.488 -6.499 -9.149 1.00 91.70 20 A 1 ATOM 145 C C . LEU A 1 20 ? -2.725 -6.188 -10.007 1.00 92.58 20 A 1 ATOM 146 O O . LEU A 1 20 ? -2.731 -6.532 -11.192 1.00 90.93 20 A 1 ATOM 147 C CB . LEU A 1 20 ? -1.792 -7.563 -8.081 1.00 89.70 20 A 1 ATOM 148 C CG . LEU A 1 20 ? -0.705 -8.629 -7.967 1.00 83.45 20 A 1 ATOM 149 C CD1 . LEU A 1 20 ? -0.684 -9.223 -6.564 1.00 78.84 20 A 1 ATOM 150 C CD2 . LEU A 1 20 ? -0.946 -9.737 -8.982 1.00 78.04 20 A 1 ATOM 151 N N . PRO A 1 21 ? -3.759 -5.548 -9.456 1.00 92.76 21 A 1 ATOM 152 C CA . PRO A 1 21 ? -4.962 -5.255 -10.249 1.00 92.27 21 A 1 ATOM 153 C C . PRO A 1 21 ? -4.706 -4.241 -11.366 1.00 92.62 21 A 1 ATOM 154 O O . PRO A 1 21 ? -5.369 -4.288 -12.397 1.00 89.65 21 A 1 ATOM 155 C CB . PRO A 1 21 ? -5.970 -4.717 -9.223 1.00 89.81 21 A 1 ATOM 156 C CG . PRO A 1 21 ? -5.138 -4.204 -8.098 1.00 88.69 21 A 1 ATOM 157 C CD . PRO A 1 21 ? -3.926 -5.117 -8.080 1.00 92.10 21 A 1 ATOM 158 N N . LEU A 1 22 ? -3.742 -3.360 -11.201 1.00 91.79 22 A 1 ATOM 159 C CA . LEU A 1 22 ? -3.393 -2.377 -12.234 1.00 91.06 22 A 1 ATOM 160 C C . LEU A 1 22 ? -2.806 -3.055 -13.471 1.00 91.38 22 A 1 ATOM 161 O O . LEU A 1 22 ? -3.122 -2.672 -14.597 1.00 89.31 22 A 1 ATOM 162 C CB . LEU A 1 22 ? -2.406 -1.356 -11.656 1.00 88.73 22 A 1 ATOM 163 C CG . LEU A 1 22 ? -3.091 -0.205 -10.918 1.00 83.01 22 A 1 ATOM 164 C CD1 . LEU A 1 22 ? -2.081 0.540 -10.052 1.00 78.13 22 A 1 ATOM 165 C CD2 . LEU A 1 22 ? -3.712 0.778 -11.910 1.00 76.04 22 A 1 ATOM 166 N N . ILE A 1 23 ? -1.986 -4.074 -13.282 1.00 91.53 23 A 1 ATOM 167 C CA . ILE A 1 23 ? -1.385 -4.814 -14.397 1.00 90.80 23 A 1 ATOM 168 C C . ILE A 1 23 ? -2.440 -5.659 -15.110 1.00 90.36 23 A 1 ATOM 169 O O . ILE A 1 23 ? -2.445 -5.740 -16.339 1.00 88.74 23 A 1 ATOM 170 C CB . ILE A 1 23 ? -0.219 -5.686 -13.887 1.00 88.64 23 A 1 ATOM 171 C CG1 . ILE A 1 23 ? 0.929 -4.804 -13.371 1.00 84.93 23 A 1 ATOM 172 C CG2 . ILE A 1 23 ? 0.300 -6.603 -15.005 1.00 82.75 23 A 1 ATOM 173 C CD1 . ILE A 1 23 ? 1.870 -5.539 -12.429 1.00 77.01 23 A 1 ATOM 174 N N . VAL A 1 24 ? -3.337 -6.291 -14.361 1.00 92.20 24 A 1 ATOM 175 C CA . VAL A 1 24 ? -4.402 -7.127 -14.935 1.00 91.62 24 A 1 ATOM 176 C C . VAL A 1 24 ? -5.403 -6.274 -15.713 1.00 91.17 24 A 1 ATOM 177 O O . VAL A 1 24 ? -5.829 -6.655 -16.806 1.00 89.31 24 A 1 ATOM 178 C CB . VAL A 1 24 ? -5.114 -7.932 -13.829 1.00 89.03 24 A 1 ATOM 179 C CG1 . VAL A 1 24 ? -6.279 -8.739 -14.396 1.00 79.93 24 A 1 ATOM 180 C CG2 . VAL A 1 24 ? -4.143 -8.886 -13.146 1.00 80.76 24 A 1 ATOM 181 N N . SER A 1 25 ? -5.767 -5.133 -15.179 1.00 91.80 25 A 1 ATOM 182 C CA . SER A 1 25 ? -6.695 -4.211 -15.837 1.00 90.49 25 A 1 ATOM 183 C C . SER A 1 25 ? -6.043 -3.532 -17.045 1.00 88.58 25 A 1 ATOM 184 O O . SER A 1 25 ? -6.706 -3.302 -18.057 1.00 83.38 25 A 1 ATOM 185 C CB . SER A 1 25 ? -7.180 -3.171 -14.826 1.00 86.91 25 A 1 ATOM 186 O OG . SER A 1 25 ? -8.242 -2.417 -15.366 1.00 75.39 25 A 1 ATOM 187 N N . SER A 1 26 ? -4.738 -3.250 -16.931 1.00 90.69 26 A 1 ATOM 188 C CA . SER A 1 26 ? -3.940 -2.588 -17.968 1.00 88.53 26 A 1 ATOM 189 C C . SER A 1 26 ? -4.601 -1.306 -18.479 1.00 83.43 26 A 1 ATOM 190 O O . SER A 1 26 ? -5.092 -1.262 -19.610 1.00 77.06 26 A 1 ATOM 191 C CB . SER A 1 26 ? -3.664 -3.539 -19.118 1.00 82.67 26 A 1 ATOM 192 O OG . SER A 1 26 ? -2.651 -2.992 -19.936 1.00 74.21 26 A 1 ATOM 193 O OXT . SER A 1 26 ? -4.610 -0.333 -17.682 1.00 75.66 26 A 1 #