# 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_spkb39872 # _entry.id spkb39872 # 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" "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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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 ILE 3 1 n LYS 4 1 n LYS 5 1 n PHE 6 1 n SER 7 1 n SER 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n PRO 12 1 n LEU 13 1 n LEU 14 1 n MET 15 1 n VAL 16 1 n LEU 17 1 n ALA 18 1 n LEU 19 1 n VAL 20 1 n VAL 21 1 n LEU 22 1 n PRO 23 1 n ILE 24 1 n ILE 25 1 n SER 26 1 n GLY 27 # _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 11:24:33)" _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 93.98 _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 84.65 1 1 A ALA 2 2 95.44 1 2 A ILE 3 2 90.50 1 3 A LYS 4 2 87.60 1 4 A LYS 5 2 89.05 1 5 A PHE 6 2 88.70 1 6 A SER 7 2 93.88 1 7 A SER 8 2 93.95 1 8 A LEU 9 2 94.07 1 9 A LEU 10 2 95.16 1 10 A LEU 11 2 94.82 1 11 A PRO 12 2 97.16 1 12 A LEU 13 2 95.22 1 13 A LEU 14 2 96.22 1 14 A MET 15 2 93.31 1 15 A VAL 16 2 97.60 1 16 A LEU 17 2 96.05 1 17 A ALA 18 2 98.24 1 18 A LEU 19 2 96.21 1 19 A VAL 20 2 97.67 1 20 A VAL 21 2 97.76 1 21 A LEU 22 2 95.92 1 22 A PRO 23 2 97.94 1 23 A ILE 24 2 96.47 1 24 A ILE 25 2 95.67 1 25 A SER 26 2 94.30 1 26 A GLY 27 2 90.38 1 27 # _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 ILE . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PRO . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n MET . 15 A 15 A 16 1 n VAL . 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 VAL . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n PRO . 23 A 23 A 24 1 n ILE . 24 A 24 A 25 1 n ILE . 25 A 25 A 26 1 n SER . 26 A 26 A 27 1 n GLY . 27 A 27 # _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 ? 2.756 -18.849 6.774 1.00 90.18 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.740 -18.205 7.627 1.00 93.07 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.793 -17.358 6.788 1.00 93.24 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.247 -16.566 5.971 1.00 89.15 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.407 -17.311 8.672 1.00 89.21 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.016 -18.106 9.811 1.00 80.72 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.851 -17.055 10.998 1.00 74.47 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.103 -18.214 12.337 1.00 67.13 1 A 1 ATOM 9 N N . ALA A 1 2 ? -0.502 -17.543 6.998 1.00 94.54 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -1.503 -16.775 6.261 1.00 96.22 2 A 1 ATOM 11 C C . ALA A 1 2 ? -1.459 -15.303 6.657 1.00 96.35 2 A 1 ATOM 12 O O . ALA A 1 2 ? -1.656 -14.417 5.826 1.00 95.14 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -2.889 -17.355 6.522 1.00 94.94 2 A 1 ATOM 14 N N . ILE A 1 3 ? -1.190 -15.049 7.934 1.00 94.43 3 A 1 ATOM 15 C CA . ILE A 1 3 ? -1.111 -13.679 8.447 1.00 94.78 3 A 1 ATOM 16 C C . ILE A 1 3 ? -0.029 -12.876 7.731 1.00 94.70 3 A 1 ATOM 17 O O . ILE A 1 3 ? -0.181 -11.675 7.502 1.00 93.52 3 A 1 ATOM 18 C CB . ILE A 1 3 ? -0.847 -13.682 9.966 1.00 93.85 3 A 1 ATOM 19 C CG1 . ILE A 1 3 ? 0.376 -14.532 10.310 1.00 88.48 3 A 1 ATOM 20 C CG2 . ILE A 1 3 ? -2.080 -14.179 10.703 1.00 86.22 3 A 1 ATOM 21 C CD1 . ILE A 1 3 ? 0.827 -14.362 11.750 1.00 77.99 3 A 1 ATOM 22 N N . LYS A 1 4 ? 1.055 -13.554 7.371 1.00 96.11 4 A 1 ATOM 23 C CA . LYS A 1 4 ? 2.160 -12.904 6.669 1.00 95.77 4 A 1 ATOM 24 C C . LYS A 1 4 ? 1.721 -12.444 5.288 1.00 95.50 4 A 1 ATOM 25 O O . LYS A 1 4 ? 2.109 -11.366 4.829 1.00 94.46 4 A 1 ATOM 26 C CB . LYS A 1 4 ? 3.338 -13.868 6.565 1.00 94.81 4 A 1 ATOM 27 C CG . LYS A 1 4 ? 4.521 -13.293 5.806 1.00 86.37 4 A 1 ATOM 28 C CD . LYS A 1 4 ? 5.122 -12.104 6.531 1.00 82.95 4 A 1 ATOM 29 C CE . LYS A 1 4 ? 6.341 -11.583 5.789 1.00 74.91 4 A 1 ATOM 30 N NZ . LYS A 1 4 ? 6.897 -10.376 6.443 1.00 67.49 4 A 1 ATOM 31 N N . LYS A 1 5 ? 0.922 -13.263 4.628 1.00 95.85 5 A 1 ATOM 32 C CA . LYS A 1 5 ? 0.421 -12.936 3.294 1.00 96.07 5 A 1 ATOM 33 C C . LYS A 1 5 ? -0.498 -11.719 3.352 1.00 95.88 5 A 1 ATOM 34 O O . LYS A 1 5 ? -0.422 -10.835 2.497 1.00 95.01 5 A 1 ATOM 35 C CB . LYS A 1 5 ? -0.315 -14.138 2.703 1.00 95.43 5 A 1 ATOM 36 C CG . LYS A 1 5 ? -0.730 -13.915 1.256 1.00 88.72 5 A 1 ATOM 37 C CD . LYS A 1 5 ? -1.435 -15.132 0.687 1.00 84.84 5 A 1 ATOM 38 C CE . LYS A 1 5 ? -1.871 -14.883 -0.752 1.00 77.89 5 A 1 ATOM 39 N NZ . LYS A 1 5 ? -2.568 -16.069 -1.323 1.00 71.72 5 A 1 ATOM 40 N N . PHE A 1 6 ? -1.366 -11.680 4.357 1.00 94.54 6 A 1 ATOM 41 C CA . PHE A 1 6 ? -2.283 -10.556 4.521 1.00 94.60 6 A 1 ATOM 42 C C . PHE A 1 6 ? -1.522 -9.278 4.848 1.00 95.41 6 A 1 ATOM 43 O O . PHE A 1 6 ? -1.833 -8.207 4.325 1.00 94.72 6 A 1 ATOM 44 C CB . PHE A 1 6 ? -3.292 -10.863 5.631 1.00 94.14 6 A 1 ATOM 45 C CG . PHE A 1 6 ? -4.357 -11.842 5.203 1.00 89.48 6 A 1 ATOM 46 C CD1 . PHE A 1 6 ? -5.397 -11.426 4.387 1.00 84.73 6 A 1 ATOM 47 C CD2 . PHE A 1 6 ? -4.311 -13.162 5.619 1.00 84.01 6 A 1 ATOM 48 C CE1 . PHE A 1 6 ? -6.382 -12.318 3.988 1.00 81.26 6 A 1 ATOM 49 C CE2 . PHE A 1 6 ? -5.291 -14.065 5.223 1.00 83.00 6 A 1 ATOM 50 C CZ . PHE A 1 6 ? -6.328 -13.641 4.406 1.00 79.83 6 A 1 ATOM 51 N N . SER A 1 7 ? -0.507 -9.396 5.700 1.00 96.45 7 A 1 ATOM 52 C CA . SER A 1 7 ? 0.316 -8.247 6.066 1.00 96.41 7 A 1 ATOM 53 C C . SER A 1 7 ? 1.078 -7.722 4.853 1.00 96.62 7 A 1 ATOM 54 O O . SER A 1 7 ? 1.233 -6.516 4.678 1.00 95.98 7 A 1 ATOM 55 C CB . SER A 1 7 ? 1.298 -8.634 7.167 1.00 95.34 7 A 1 ATOM 56 O OG . SER A 1 7 ? 0.609 -8.982 8.355 1.00 82.50 7 A 1 ATOM 57 N N . SER A 1 8 ? 1.534 -8.647 4.010 1.00 96.48 8 A 1 ATOM 58 C CA . SER A 1 8 ? 2.265 -8.294 2.795 1.00 96.71 8 A 1 ATOM 59 C C . SER A 1 8 ? 1.359 -7.565 1.807 1.00 97.08 8 A 1 ATOM 60 O O . SER A 1 8 ? 1.810 -6.696 1.062 1.00 95.73 8 A 1 ATOM 61 C CB . SER A 1 8 ? 2.830 -9.554 2.149 1.00 94.93 8 A 1 ATOM 62 O OG . SER A 1 8 ? 3.587 -9.220 1.008 1.00 82.80 8 A 1 ATOM 63 N N . LEU A 1 9 ? 0.088 -7.924 1.802 1.00 97.36 9 A 1 ATOM 64 C CA . LEU A 1 9 ? -0.888 -7.295 0.914 1.00 97.51 9 A 1 ATOM 65 C C . LEU A 1 9 ? -1.289 -5.914 1.424 1.00 97.94 9 A 1 ATOM 66 O O . LEU A 1 9 ? -1.688 -5.047 0.646 1.00 97.41 9 A 1 ATOM 67 C CB . LEU A 1 9 ? -2.125 -8.191 0.802 1.00 97.11 9 A 1 ATOM 68 C CG . LEU A 1 9 ? -3.116 -7.748 -0.269 1.00 90.80 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? -2.566 -8.044 -1.658 1.00 87.06 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? -4.454 -8.438 -0.080 1.00 87.40 9 A 1 ATOM 71 N N . LEU A 1 10 ? -1.185 -5.717 2.727 1.00 97.81 10 A 1 ATOM 72 C CA . LEU A 1 10 ? -1.555 -4.448 3.349 1.00 97.90 10 A 1 ATOM 73 C C . LEU A 1 10 ? -0.624 -3.322 2.910 1.00 98.13 10 A 1 ATOM 74 O O . LEU A 1 10 ? -1.067 -2.194 2.699 1.00 97.96 10 A 1 ATOM 75 C CB . LEU A 1 10 ? -1.525 -4.594 4.870 1.00 97.64 10 A 1 ATOM 76 C CG . LEU A 1 10 ? -2.147 -3.417 5.619 1.00 92.31 10 A 1 ATOM 77 C CD1 . LEU A 1 10 ? -3.663 -3.412 5.450 1.00 89.33 10 A 1 ATOM 78 C CD2 . LEU A 1 10 ? -1.791 -3.476 7.097 1.00 90.24 10 A 1 ATOM 79 N N . LEU A 1 11 ? 0.657 -3.628 2.768 1.00 97.89 11 A 1 ATOM 80 C CA . LEU A 1 11 ? 1.647 -2.638 2.343 1.00 97.63 11 A 1 ATOM 81 C C . LEU A 1 11 ? 1.317 -2.032 0.974 1.00 97.98 11 A 1 ATOM 82 O O . LEU A 1 11 ? 1.211 -0.810 0.856 1.00 97.84 11 A 1 ATOM 83 C CB . LEU A 1 11 ? 3.042 -3.261 2.332 1.00 96.98 11 A 1 ATOM 84 C CG . LEU A 1 11 ? 3.856 -2.950 3.586 1.00 91.59 11 A 1 ATOM 85 C CD1 . LEU A 1 11 ? 3.486 -3.892 4.716 1.00 89.46 11 A 1 ATOM 86 C CD2 . LEU A 1 11 ? 5.344 -3.054 3.279 1.00 89.23 11 A 1 ATOM 87 N N . PRO A 1 12 ? 1.160 -2.875 -0.060 1.00 97.66 12 A 1 ATOM 88 C CA . PRO A 1 12 ? 0.845 -2.354 -1.398 1.00 97.70 12 A 1 ATOM 89 C C . PRO A 1 12 ? -0.508 -1.652 -1.440 1.00 98.17 12 A 1 ATOM 90 O O . PRO A 1 12 ? -0.682 -0.681 -2.178 1.00 97.61 12 A 1 ATOM 91 C CB . PRO A 1 12 ? 0.851 -3.607 -2.284 1.00 96.79 12 A 1 ATOM 92 C CG . PRO A 1 12 ? 0.665 -4.758 -1.352 1.00 95.40 12 A 1 ATOM 93 C CD . PRO A 1 12 ? 1.320 -4.338 -0.071 1.00 96.78 12 A 1 ATOM 94 N N . LEU A 1 13 ? -1.446 -2.129 -0.652 1.00 97.92 13 A 1 ATOM 95 C CA . LEU A 1 13 ? -2.771 -1.516 -0.589 1.00 98.02 13 A 1 ATOM 96 C C . LEU A 1 13 ? -2.669 -0.095 -0.046 1.00 98.34 13 A 1 ATOM 97 O O . LEU A 1 13 ? -3.327 0.825 -0.539 1.00 98.18 13 A 1 ATOM 98 C CB . LEU A 1 13 ? -3.692 -2.372 0.287 1.00 97.72 13 A 1 ATOM 99 C CG . LEU A 1 13 ? -5.167 -1.983 0.204 1.00 91.94 13 A 1 ATOM 100 C CD1 . LEU A 1 13 ? -6.048 -3.223 0.222 1.00 89.27 13 A 1 ATOM 101 C CD2 . LEU A 1 13 ? -5.556 -1.067 1.348 1.00 90.37 13 A 1 ATOM 102 N N . LEU A 1 14 ? -1.844 0.082 0.973 1.00 98.26 14 A 1 ATOM 103 C CA . LEU A 1 14 ? -1.631 1.398 1.568 1.00 98.18 14 A 1 ATOM 104 C C . LEU A 1 14 ? -0.917 2.319 0.588 1.00 98.37 14 A 1 ATOM 105 O O . LEU A 1 14 ? -1.188 3.519 0.531 1.00 98.13 14 A 1 ATOM 106 C CB . LEU A 1 14 ? -0.814 1.255 2.855 1.00 97.79 14 A 1 ATOM 107 C CG . LEU A 1 14 ? -0.839 2.508 3.729 1.00 94.47 14 A 1 ATOM 108 C CD1 . LEU A 1 14 ? -1.416 2.197 5.099 1.00 92.09 14 A 1 ATOM 109 C CD2 . LEU A 1 14 ? 0.564 3.084 3.875 1.00 92.49 14 A 1 ATOM 110 N N . MET A 1 15 ? 0.005 1.756 -0.172 1.00 97.99 15 A 1 ATOM 111 C CA . MET A 1 15 ? 0.754 2.521 -1.168 1.00 97.86 15 A 1 ATOM 112 C C . MET A 1 15 ? -0.175 3.039 -2.264 1.00 98.14 15 A 1 ATOM 113 O O . MET A 1 15 ? -0.065 4.192 -2.683 1.00 97.72 15 A 1 ATOM 114 C CB . MET A 1 15 ? 1.850 1.652 -1.785 1.00 97.32 15 A 1 ATOM 115 C CG . MET A 1 15 ? 2.978 1.341 -0.823 1.00 93.84 15 A 1 ATOM 116 S SD . MET A 1 15 ? 4.289 0.350 -1.572 1.00 86.00 15 A 1 ATOM 117 C CE . MET A 1 15 ? 5.059 1.574 -2.634 1.00 77.64 15 A 1 ATOM 118 N N . VAL A 1 16 ? -1.076 2.181 -2.712 1.00 98.24 16 A 1 ATOM 119 C CA . VAL A 1 16 ? -2.034 2.563 -3.750 1.00 98.26 16 A 1 ATOM 120 C C . VAL A 1 16 ? -2.959 3.663 -3.240 1.00 98.43 16 A 1 ATOM 121 O O . VAL A 1 16 ? -3.268 4.614 -3.960 1.00 98.06 16 A 1 ATOM 122 C CB . VAL A 1 16 ? -2.860 1.345 -4.200 1.00 97.83 16 A 1 ATOM 123 C CG1 . VAL A 1 16 ? -3.958 1.765 -5.169 1.00 96.14 16 A 1 ATOM 124 C CG2 . VAL A 1 16 ? -1.963 0.309 -4.856 1.00 96.24 16 A 1 ATOM 125 N N . LEU A 1 17 ? -3.390 3.530 -2.003 1.00 98.33 17 A 1 ATOM 126 C CA . LEU A 1 17 ? -4.265 4.526 -1.389 1.00 98.16 17 A 1 ATOM 127 C C . LEU A 1 17 ? -3.565 5.878 -1.314 1.00 98.33 17 A 1 ATOM 128 O O . LEU A 1 17 ? -4.148 6.911 -1.639 1.00 98.03 17 A 1 ATOM 129 C CB . LEU A 1 17 ? -4.670 4.065 0.014 1.00 97.73 17 A 1 ATOM 130 C CG . LEU A 1 17 ? -5.722 4.949 0.686 1.00 94.15 17 A 1 ATOM 131 C CD1 . LEU A 1 17 ? -7.078 4.762 0.004 1.00 91.67 17 A 1 ATOM 132 C CD2 . LEU A 1 17 ? -5.840 4.619 2.164 1.00 91.97 17 A 1 ATOM 133 N N . ALA A 1 18 ? -2.316 5.867 -0.872 1.00 98.48 18 A 1 ATOM 134 C CA . ALA A 1 18 ? -1.532 7.094 -0.761 1.00 98.38 18 A 1 ATOM 135 C C . ALA A 1 18 ? -1.264 7.696 -2.138 1.00 98.47 18 A 1 ATOM 136 O O . ALA A 1 18 ? -1.250 8.915 -2.295 1.00 97.88 18 A 1 ATOM 137 C CB . ALA A 1 18 ? -0.217 6.804 -0.041 1.00 97.98 18 A 1 ATOM 138 N N . LEU A 1 19 ? -1.058 6.842 -3.129 1.00 98.42 19 A 1 ATOM 139 C CA . LEU A 1 19 ? -0.793 7.280 -4.498 1.00 98.29 19 A 1 ATOM 140 C C . LEU A 1 19 ? -1.991 8.022 -5.077 1.00 98.42 19 A 1 ATOM 141 O O . LEU A 1 19 ? -1.831 8.971 -5.845 1.00 97.75 19 A 1 ATOM 142 C CB . LEU A 1 19 ? -0.461 6.067 -5.371 1.00 97.88 19 A 1 ATOM 143 C CG . LEU A 1 19 ? 0.075 6.436 -6.750 1.00 95.10 19 A 1 ATOM 144 C CD1 . LEU A 1 19 ? 1.562 6.751 -6.676 1.00 92.00 19 A 1 ATOM 145 C CD2 . LEU A 1 19 ? -0.168 5.306 -7.741 1.00 91.79 19 A 1 ATOM 146 N N . VAL A 1 20 ? -3.187 7.583 -4.717 1.00 98.48 20 A 1 ATOM 147 C CA . VAL A 1 20 ? -4.412 8.206 -5.214 1.00 98.39 20 A 1 ATOM 148 C C . VAL A 1 20 ? -4.761 9.460 -4.421 1.00 98.52 20 A 1 ATOM 149 O O . VAL A 1 20 ? -5.212 10.459 -4.987 1.00 98.08 20 A 1 ATOM 150 C CB . VAL A 1 20 ? -5.581 7.205 -5.153 1.00 97.88 20 A 1 ATOM 151 C CG1 . VAL A 1 20 ? -6.883 7.864 -5.581 1.00 96.08 20 A 1 ATOM 152 C CG2 . VAL A 1 20 ? -5.291 6.004 -6.042 1.00 96.23 20 A 1 ATOM 153 N N . VAL A 1 21 ? -4.560 9.406 -3.116 1.00 98.56 21 A 1 ATOM 154 C CA . VAL A 1 21 ? -4.890 10.534 -2.243 1.00 98.49 21 A 1 ATOM 155 C C . VAL A 1 21 ? -3.928 11.701 -2.443 1.00 98.53 21 A 1 ATOM 156 O O . VAL A 1 21 ? -4.337 12.863 -2.392 1.00 98.07 21 A 1 ATOM 157 C CB . VAL A 1 21 ? -4.887 10.099 -0.765 1.00 98.09 21 A 1 ATOM 158 C CG1 . VAL A 1 21 ? -5.121 11.288 0.155 1.00 96.22 21 A 1 ATOM 159 C CG2 . VAL A 1 21 ? -5.952 9.044 -0.518 1.00 96.38 21 A 1 ATOM 160 N N . LEU A 1 22 ? -2.664 11.391 -2.661 1.00 98.55 22 A 1 ATOM 161 C CA . LEU A 1 22 ? -1.640 12.424 -2.837 1.00 98.33 22 A 1 ATOM 162 C C . LEU A 1 22 ? -1.950 13.377 -3.998 1.00 98.43 22 A 1 ATOM 163 O O . LEU A 1 22 ? -1.970 14.597 -3.790 1.00 98.06 22 A 1 ATOM 164 C CB . LEU A 1 22 ? -0.268 11.764 -3.021 1.00 97.87 22 A 1 ATOM 165 C CG . LEU A 1 22 ? 0.904 12.742 -3.059 1.00 93.78 22 A 1 ATOM 166 C CD1 . LEU A 1 22 ? 1.086 13.412 -1.705 1.00 90.95 22 A 1 ATOM 167 C CD2 . LEU A 1 22 ? 2.178 12.019 -3.464 1.00 91.36 22 A 1 ATOM 168 N N . PRO A 1 23 ? -2.175 12.860 -5.214 1.00 98.40 23 A 1 ATOM 169 C CA . PRO A 1 23 ? -2.464 13.736 -6.360 1.00 98.29 23 A 1 ATOM 170 C C . PRO A 1 23 ? -3.805 14.453 -6.241 1.00 98.43 23 A 1 ATOM 171 O O . PRO A 1 23 ? -3.939 15.593 -6.689 1.00 97.78 23 A 1 ATOM 172 C CB . PRO A 1 23 ? -2.456 12.773 -7.553 1.00 97.71 23 A 1 ATOM 173 C CG . PRO A 1 23 ? -2.752 11.436 -6.966 1.00 96.88 23 A 1 ATOM 174 C CD . PRO A 1 23 ? -2.129 11.453 -5.596 1.00 98.09 23 A 1 ATOM 175 N N . ILE A 1 24 ? -4.784 13.809 -5.639 1.00 98.32 24 A 1 ATOM 176 C CA . ILE A 1 24 ? -6.107 14.408 -5.470 1.00 98.22 24 A 1 ATOM 177 C C . ILE A 1 24 ? -6.054 15.587 -4.504 1.00 98.26 24 A 1 ATOM 178 O O . ILE A 1 24 ? -6.667 16.629 -4.744 1.00 97.77 24 A 1 ATOM 179 C CB . ILE A 1 24 ? -7.121 13.360 -4.971 1.00 97.80 24 A 1 ATOM 180 C CG1 . ILE A 1 24 ? -7.368 12.311 -6.056 1.00 95.49 24 A 1 ATOM 181 C CG2 . ILE A 1 24 ? -8.433 14.032 -4.580 1.00 94.74 24 A 1 ATOM 182 C CD1 . ILE A 1 24 ? -8.216 11.140 -5.592 1.00 91.20 24 A 1 ATOM 183 N N . ILE A 1 25 ? -5.324 15.409 -3.403 1.00 98.29 25 A 1 ATOM 184 C CA . ILE A 1 25 ? -5.212 16.467 -2.402 1.00 97.99 25 A 1 ATOM 185 C C . ILE A 1 25 ? -4.281 17.576 -2.882 1.00 97.85 25 A 1 ATOM 186 O O . ILE A 1 25 ? -4.430 18.738 -2.488 1.00 97.31 25 A 1 ATOM 187 C CB . ILE A 1 25 ? -4.732 15.904 -1.051 1.00 97.47 25 A 1 ATOM 188 C CG1 . ILE A 1 25 ? -5.008 16.909 0.070 1.00 94.21 25 A 1 ATOM 189 C CG2 . ILE A 1 25 ? -3.240 15.565 -1.094 1.00 92.39 25 A 1 ATOM 190 C CD1 . ILE A 1 25 ? -4.912 16.311 1.456 1.00 89.85 25 A 1 ATOM 191 N N . SER A 1 26 ? -3.329 17.214 -3.713 1.00 98.07 26 A 1 ATOM 192 C CA . SER A 1 26 ? -2.365 18.178 -4.245 1.00 97.43 26 A 1 ATOM 193 C C . SER A 1 26 ? -3.042 19.144 -5.217 1.00 96.39 26 A 1 ATOM 194 O O . SER A 1 26 ? -2.787 20.349 -5.190 1.00 92.26 26 A 1 ATOM 195 C CB . SER A 1 26 ? -1.215 17.452 -4.934 1.00 96.14 26 A 1 ATOM 196 O OG . SER A 1 26 ? -0.258 18.382 -5.402 1.00 85.54 26 A 1 ATOM 197 N N . GLY A 1 27 ? -3.896 18.606 -6.059 1.00 96.33 27 A 1 ATOM 198 C CA . GLY A 1 27 ? -4.604 19.418 -7.026 1.00 93.68 27 A 1 ATOM 199 C C . GLY A 1 27 ? -4.936 18.651 -8.292 1.00 88.87 27 A 1 ATOM 200 O O . GLY A 1 27 ? -4.352 17.591 -8.536 1.00 82.40 27 A 1 ATOM 201 O OXT . GLY A 1 27 ? -5.806 19.113 -9.062 1.00 90.64 27 A 1 #