# 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_597 # _entry.id 597 # 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 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 LYS 2 1 n THR 3 1 n ARG 4 1 n ILE 5 1 n VAL 6 1 n SER 7 1 n SER 8 1 n VAL 9 1 n THR 10 1 n THR 11 1 n THR 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n GLY 16 1 n SER 17 1 n ILE 18 1 n LEU 19 1 n MET 20 1 n ASN 21 1 n PRO 22 1 n VAL 23 1 n ALA 24 1 n GLY 25 1 n ALA 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 @ 2025-05-28 21:19:33)" _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 88.62 _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 81.79 1 1 A LYS 2 2 85.81 1 2 A THR 3 2 91.74 1 3 A ARG 4 2 80.47 1 4 A ILE 5 2 87.87 1 5 A VAL 6 2 92.71 1 6 A SER 7 2 92.95 1 7 A SER 8 2 92.55 1 8 A VAL 9 2 94.28 1 9 A THR 10 2 93.48 1 10 A THR 11 2 93.42 1 11 A THR 12 2 93.38 1 12 A LEU 13 2 91.39 1 13 A LEU 14 2 89.49 1 14 A LEU 15 2 90.08 1 15 A GLY 16 2 93.72 1 16 A SER 17 2 91.89 1 17 A ILE 18 2 91.35 1 18 A LEU 19 2 89.69 1 19 A MET 20 2 86.88 1 20 A ASN 21 2 86.18 1 21 A PRO 22 2 90.44 1 22 A VAL 23 2 85.27 1 23 A ALA 24 2 85.65 1 24 A GLY 25 2 80.22 1 25 A ALA 26 2 74.78 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 LYS . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n THR . 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 GLY . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n MET . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n PRO . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n GLY . 25 A 25 A 26 1 n ALA . 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 ? -18.132 3.746 3.174 1.00 87.00 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.988 2.681 2.158 1.00 90.65 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.946 1.670 2.618 1.00 91.26 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.886 2.070 3.086 1.00 85.62 1 A 1 ATOM 5 C CB . MET A 1 1 ? -17.556 3.255 0.802 1.00 84.39 1 A 1 ATOM 6 C CG . MET A 1 1 ? -18.492 4.345 0.280 1.00 77.74 1 A 1 ATOM 7 S SD . MET A 1 1 ? -17.964 4.984 -1.323 1.00 73.10 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.676 6.629 -1.274 1.00 64.60 1 A 1 ATOM 9 N N . LYS A 1 2 ? -17.244 0.378 2.472 1.00 93.88 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -16.313 -0.682 2.897 1.00 94.08 2 A 1 ATOM 11 C C . LYS A 1 2 ? -15.076 -0.766 1.992 1.00 93.48 2 A 1 ATOM 12 O O . LYS A 1 2 ? -14.031 -1.261 2.408 1.00 91.94 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -17.046 -2.029 2.931 1.00 91.71 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -18.149 -2.076 3.991 1.00 82.67 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -18.863 -3.425 3.997 1.00 81.28 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -19.959 -3.457 5.057 1.00 74.67 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -20.708 -4.742 5.046 1.00 68.56 2 A 1 ATOM 18 N N . THR A 1 3 ? -15.185 -0.263 0.770 1.00 95.41 3 A 1 ATOM 19 C CA . THR A 1 3 ? -14.089 -0.240 -0.207 1.00 95.27 3 A 1 ATOM 20 C C . THR A 1 3 ? -12.900 0.602 0.257 1.00 95.13 3 A 1 ATOM 21 O O . THR A 1 3 ? -11.772 0.371 -0.176 1.00 92.14 3 A 1 ATOM 22 C CB . THR A 1 3 ? -14.590 0.300 -1.552 1.00 93.85 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? -15.269 1.527 -1.351 1.00 86.77 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? -15.549 -0.677 -2.209 1.00 83.58 3 A 1 ATOM 25 N N . ARG A 1 4 ? -13.137 1.561 1.158 1.00 92.46 4 A 1 ATOM 26 C CA . ARG A 1 4 ? -12.067 2.398 1.717 1.00 92.94 4 A 1 ATOM 27 C C . ARG A 1 4 ? -11.046 1.557 2.480 1.00 94.63 4 A 1 ATOM 28 O O . ARG A 1 4 ? -9.846 1.818 2.411 1.00 92.23 4 A 1 ATOM 29 C CB . ARG A 1 4 ? -12.659 3.461 2.654 1.00 90.96 4 A 1 ATOM 30 C CG . ARG A 1 4 ? -13.562 4.479 1.956 1.00 83.16 4 A 1 ATOM 31 C CD . ARG A 1 4 ? -12.750 5.524 1.195 1.00 80.82 4 A 1 ATOM 32 N NE . ARG A 1 4 ? -13.612 6.570 0.631 1.00 71.61 4 A 1 ATOM 33 C CZ . ARG A 1 4 ? -13.187 7.690 0.057 1.00 67.20 4 A 1 ATOM 34 N NH1 . ARG A 1 4 ? -11.906 7.947 -0.056 1.00 61.52 4 A 1 ATOM 35 N NH2 . ARG A 1 4 ? -14.049 8.563 -0.406 1.00 57.62 4 A 1 ATOM 36 N N . ILE A 1 5 ? -11.526 0.540 3.186 1.00 90.12 5 A 1 ATOM 37 C CA . ILE A 1 5 ? -10.658 -0.348 3.963 1.00 91.52 5 A 1 ATOM 38 C C . ILE A 1 5 ? -9.754 -1.150 3.026 1.00 92.93 5 A 1 ATOM 39 O O . ILE A 1 5 ? -8.542 -1.223 3.236 1.00 92.32 5 A 1 ATOM 40 C CB . ILE A 1 5 ? -11.494 -1.282 4.858 1.00 91.04 5 A 1 ATOM 41 C CG1 . ILE A 1 5 ? -12.354 -0.459 5.838 1.00 85.11 5 A 1 ATOM 42 C CG2 . ILE A 1 5 ? -10.578 -2.248 5.619 1.00 82.43 5 A 1 ATOM 43 C CD1 . ILE A 1 5 ? -13.358 -1.297 6.623 1.00 77.50 5 A 1 ATOM 44 N N . VAL A 1 6 ? -10.336 -1.725 1.970 1.00 95.35 6 A 1 ATOM 45 C CA . VAL A 1 6 ? -9.577 -2.515 0.992 1.00 95.43 6 A 1 ATOM 46 C C . VAL A 1 6 ? -8.513 -1.657 0.311 1.00 95.45 6 A 1 ATOM 47 O O . VAL A 1 6 ? -7.358 -2.068 0.189 1.00 94.84 6 A 1 ATOM 48 C CB . VAL A 1 6 ? -10.516 -3.135 -0.057 1.00 94.18 6 A 1 ATOM 49 C CG1 . VAL A 1 6 ? -9.731 -3.945 -1.088 1.00 86.28 6 A 1 ATOM 50 C CG2 . VAL A 1 6 ? -11.554 -4.029 0.610 1.00 87.45 6 A 1 ATOM 51 N N . SER A 1 7 ? -8.892 -0.447 -0.100 1.00 95.96 7 A 1 ATOM 52 C CA . SER A 1 7 ? -7.967 0.494 -0.736 1.00 95.35 7 A 1 ATOM 53 C C . SER A 1 7 ? -6.817 0.867 0.201 1.00 95.60 7 A 1 ATOM 54 O O . SER A 1 7 ? -5.656 0.870 -0.203 1.00 94.92 7 A 1 ATOM 55 C CB . SER A 1 7 ? -8.724 1.748 -1.171 1.00 93.77 7 A 1 ATOM 56 O OG . SER A 1 7 ? -7.857 2.646 -1.836 1.00 82.08 7 A 1 ATOM 57 N N . SER A 1 8 ? -7.132 1.136 1.462 1.00 95.58 8 A 1 ATOM 58 C CA . SER A 1 8 ? -6.129 1.492 2.468 1.00 95.47 8 A 1 ATOM 59 C C . SER A 1 8 ? -5.150 0.343 2.716 1.00 95.90 8 A 1 ATOM 60 O O . SER A 1 8 ? -3.938 0.551 2.731 1.00 94.48 8 A 1 ATOM 61 C CB . SER A 1 8 ? -6.821 1.888 3.771 1.00 94.06 8 A 1 ATOM 62 O OG . SER A 1 8 ? -5.870 2.287 4.738 1.00 79.80 8 A 1 ATOM 63 N N . VAL A 1 9 ? -5.670 -0.872 2.872 1.00 95.91 9 A 1 ATOM 64 C CA . VAL A 1 9 ? -4.837 -2.058 3.097 1.00 96.23 9 A 1 ATOM 65 C C . VAL A 1 9 ? -3.929 -2.314 1.899 1.00 96.46 9 A 1 ATOM 66 O O . VAL A 1 9 ? -2.724 -2.519 2.060 1.00 95.66 9 A 1 ATOM 67 C CB . VAL A 1 9 ? -5.711 -3.289 3.395 1.00 95.49 9 A 1 ATOM 68 C CG1 . VAL A 1 9 ? -4.880 -4.571 3.442 1.00 90.46 9 A 1 ATOM 69 C CG2 . VAL A 1 9 ? -6.430 -3.119 4.730 1.00 89.72 9 A 1 ATOM 70 N N . THR A 1 10 ? -4.486 -2.263 0.694 1.00 96.00 10 A 1 ATOM 71 C CA . THR A 1 10 ? -3.720 -2.481 -0.536 1.00 95.68 10 A 1 ATOM 72 C C . THR A 1 10 ? -2.605 -1.450 -0.677 1.00 95.59 10 A 1 ATOM 73 O O . THR A 1 10 ? -1.460 -1.805 -0.952 1.00 95.13 10 A 1 ATOM 74 C CB . THR A 1 10 ? -4.637 -2.424 -1.765 1.00 95.09 10 A 1 ATOM 75 O OG1 . THR A 1 10 ? -5.652 -3.407 -1.651 1.00 90.19 10 A 1 ATOM 76 C CG2 . THR A 1 10 ? -3.867 -2.700 -3.052 1.00 86.65 10 A 1 ATOM 77 N N . THR A 1 11 ? -2.912 -0.180 -0.455 1.00 96.45 11 A 1 ATOM 78 C CA . THR A 1 11 ? -1.925 0.899 -0.539 1.00 95.70 11 A 1 ATOM 79 C C . THR A 1 11 ? -0.820 0.709 0.497 1.00 95.87 11 A 1 ATOM 80 O O . THR A 1 11 ? 0.359 0.865 0.186 1.00 94.97 11 A 1 ATOM 81 C CB . THR A 1 11 ? -2.592 2.262 -0.341 1.00 94.84 11 A 1 ATOM 82 O OG1 . THR A 1 11 ? -3.607 2.443 -1.319 1.00 89.36 11 A 1 ATOM 83 C CG2 . THR A 1 11 ? -1.594 3.400 -0.494 1.00 86.72 11 A 1 ATOM 84 N N . THR A 1 12 ? -1.185 0.344 1.715 1.00 95.83 12 A 1 ATOM 85 C CA . THR A 1 12 ? -0.216 0.116 2.789 1.00 95.15 12 A 1 ATOM 86 C C . THR A 1 12 ? 0.722 -1.040 2.444 1.00 95.45 12 A 1 ATOM 87 O O . THR A 1 12 ? 1.934 -0.934 2.637 1.00 94.16 12 A 1 ATOM 88 C CB . THR A 1 12 ? -0.931 -0.172 4.111 1.00 94.45 12 A 1 ATOM 89 O OG1 . THR A 1 12 ? -1.774 0.924 4.443 1.00 90.67 12 A 1 ATOM 90 C CG2 . THR A 1 12 ? 0.055 -0.362 5.255 1.00 87.93 12 A 1 ATOM 91 N N . LEU A 1 13 ? 0.180 -2.132 1.913 1.00 95.36 13 A 1 ATOM 92 C CA . LEU A 1 13 ? 0.983 -3.287 1.520 1.00 94.36 13 A 1 ATOM 93 C C . LEU A 1 13 ? 1.927 -2.947 0.367 1.00 94.68 13 A 1 ATOM 94 O O . LEU A 1 13 ? 3.095 -3.340 0.385 1.00 94.08 13 A 1 ATOM 95 C CB . LEU A 1 13 ? 0.069 -4.455 1.133 1.00 93.90 13 A 1 ATOM 96 C CG . LEU A 1 13 ? -0.689 -5.083 2.312 1.00 88.70 13 A 1 ATOM 97 C CD1 . LEU A 1 13 ? -1.694 -6.107 1.789 1.00 84.65 13 A 1 ATOM 98 C CD2 . LEU A 1 13 ? 0.269 -5.764 3.285 1.00 85.35 13 A 1 ATOM 99 N N . LEU A 1 14 ? 1.442 -2.193 -0.618 1.00 93.82 14 A 1 ATOM 100 C CA . LEU A 1 14 ? 2.260 -1.765 -1.749 1.00 92.96 14 A 1 ATOM 101 C C . LEU A 1 14 ? 3.410 -0.871 -1.290 1.00 93.38 14 A 1 ATOM 102 O O . LEU A 1 14 ? 4.564 -1.114 -1.640 1.00 93.26 14 A 1 ATOM 103 C CB . LEU A 1 14 ? 1.397 -1.038 -2.783 1.00 92.38 14 A 1 ATOM 104 C CG . LEU A 1 14 ? 0.445 -1.946 -3.572 1.00 85.65 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? -0.503 -1.096 -4.413 1.00 81.78 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? 1.214 -2.897 -4.483 1.00 82.67 14 A 1 ATOM 107 N N . LEU A 1 15 ? 3.111 0.129 -0.477 1.00 94.02 15 A 1 ATOM 108 C CA . LEU A 1 15 ? 4.134 1.023 0.059 1.00 93.23 15 A 1 ATOM 109 C C . LEU A 1 15 ? 5.141 0.253 0.910 1.00 93.51 15 A 1 ATOM 110 O O . LEU A 1 15 ? 6.351 0.462 0.789 1.00 93.14 15 A 1 ATOM 111 C CB . LEU A 1 15 ? 3.476 2.138 0.877 1.00 92.30 15 A 1 ATOM 112 C CG . LEU A 1 15 ? 2.705 3.168 0.039 1.00 87.49 15 A 1 ATOM 113 C CD1 . LEU A 1 15 ? 1.936 4.107 0.958 1.00 83.48 15 A 1 ATOM 114 C CD2 . LEU A 1 15 ? 3.646 3.977 -0.845 1.00 83.48 15 A 1 ATOM 115 N N . GLY A 1 16 ? 4.659 -0.658 1.738 1.00 94.17 16 A 1 ATOM 116 C CA . GLY A 1 16 ? 5.528 -1.494 2.559 1.00 93.38 16 A 1 ATOM 117 C C . GLY A 1 16 ? 6.473 -2.343 1.723 1.00 93.99 16 A 1 ATOM 118 O O . GLY A 1 16 ? 7.660 -2.447 2.037 1.00 93.33 16 A 1 ATOM 119 N N . SER A 1 17 ? 5.974 -2.921 0.632 1.00 94.48 17 A 1 ATOM 120 C CA . SER A 1 17 ? 6.793 -3.734 -0.266 1.00 93.71 17 A 1 ATOM 121 C C . SER A 1 17 ? 7.848 -2.895 -0.985 1.00 94.35 17 A 1 ATOM 122 O O . SER A 1 17 ? 8.982 -3.342 -1.152 1.00 93.00 17 A 1 ATOM 123 C CB . SER A 1 17 ? 5.910 -4.476 -1.278 1.00 92.07 17 A 1 ATOM 124 O OG . SER A 1 17 ? 5.321 -3.599 -2.210 1.00 83.71 17 A 1 ATOM 125 N N . ILE A 1 18 ? 7.506 -1.674 -1.379 1.00 93.97 18 A 1 ATOM 126 C CA . ILE A 1 18 ? 8.441 -0.756 -2.038 1.00 93.57 18 A 1 ATOM 127 C C . ILE A 1 18 ? 9.564 -0.361 -1.081 1.00 94.15 18 A 1 ATOM 128 O O . ILE A 1 18 ? 10.738 -0.335 -1.461 1.00 93.27 18 A 1 ATOM 129 C CB . ILE A 1 18 ? 7.703 0.494 -2.564 1.00 92.97 18 A 1 ATOM 130 C CG1 . ILE A 1 18 ? 6.736 0.109 -3.701 1.00 90.31 18 A 1 ATOM 131 C CG2 . ILE A 1 18 ? 8.703 1.550 -3.064 1.00 88.21 18 A 1 ATOM 132 C CD1 . ILE A 1 18 ? 5.726 1.198 -4.041 1.00 84.34 18 A 1 ATOM 133 N N . LEU A 1 19 ? 9.219 -0.069 0.167 1.00 94.89 19 A 1 ATOM 134 C CA . LEU A 1 19 ? 10.208 0.312 1.175 1.00 94.01 19 A 1 ATOM 135 C C . LEU A 1 19 ? 11.139 -0.853 1.521 1.00 93.86 19 A 1 ATOM 136 O O . LEU A 1 19 ? 12.330 -0.656 1.759 1.00 92.89 19 A 1 ATOM 137 C CB . LEU A 1 19 ? 9.505 0.834 2.440 1.00 93.07 19 A 1 ATOM 138 C CG . LEU A 1 19 ? 9.258 2.353 2.495 1.00 86.75 19 A 1 ATOM 139 C CD1 . LEU A 1 19 ? 10.580 3.109 2.556 1.00 81.42 19 A 1 ATOM 140 C CD2 . LEU A 1 19 ? 8.443 2.852 1.317 1.00 80.65 19 A 1 ATOM 141 N N . MET A 1 20 ? 10.585 -2.069 1.552 1.00 95.03 20 A 1 ATOM 142 C CA . MET A 1 20 ? 11.366 -3.261 1.888 1.00 94.20 20 A 1 ATOM 143 C C . MET A 1 20 ? 12.158 -3.791 0.688 1.00 93.95 20 A 1 ATOM 144 O O . MET A 1 20 ? 13.260 -4.320 0.854 1.00 91.69 20 A 1 ATOM 145 C CB . MET A 1 20 ? 10.432 -4.343 2.444 1.00 91.71 20 A 1 ATOM 146 C CG . MET A 1 20 ? 11.184 -5.507 3.060 1.00 86.03 20 A 1 ATOM 147 S SD . MET A 1 20 ? 10.093 -6.682 3.886 1.00 75.63 20 A 1 ATOM 148 C CE . MET A 1 20 ? 11.314 -7.839 4.526 1.00 66.79 20 A 1 ATOM 149 N N . ASN A 1 21 ? 11.611 -3.640 -0.522 1.00 92.08 21 A 1 ATOM 150 C CA . ASN A 1 21 ? 12.253 -4.107 -1.750 1.00 91.45 21 A 1 ATOM 151 C C . ASN A 1 21 ? 12.148 -3.045 -2.855 1.00 91.23 21 A 1 ATOM 152 O O . ASN A 1 21 ? 11.341 -3.178 -3.777 1.00 89.30 21 A 1 ATOM 153 C CB . ASN A 1 21 ? 11.630 -5.441 -2.178 1.00 88.46 21 A 1 ATOM 154 C CG . ASN A 1 21 ? 12.439 -6.130 -3.260 1.00 83.35 21 A 1 ATOM 155 O OD1 . ASN A 1 21 ? 13.435 -5.623 -3.759 1.00 76.27 21 A 1 ATOM 156 N ND2 . ASN A 1 21 ? 12.028 -7.325 -3.639 1.00 77.29 21 A 1 ATOM 157 N N . PRO A 1 22 ? 12.964 -1.983 -2.773 1.00 92.48 22 A 1 ATOM 158 C CA . PRO A 1 22 ? 12.902 -0.878 -3.734 1.00 91.97 22 A 1 ATOM 159 C C . PRO A 1 22 ? 13.296 -1.295 -5.150 1.00 92.05 22 A 1 ATOM 160 O O . PRO A 1 22 ? 12.757 -0.760 -6.116 1.00 88.84 22 A 1 ATOM 161 C CB . PRO A 1 22 ? 13.868 0.169 -3.165 1.00 89.53 22 A 1 ATOM 162 C CG . PRO A 1 22 ? 14.825 -0.616 -2.312 1.00 87.52 22 A 1 ATOM 163 C CD . PRO A 1 22 ? 13.990 -1.755 -1.761 1.00 90.69 22 A 1 ATOM 164 N N . VAL A 1 23 ? 14.204 -2.256 -5.293 1.00 91.29 23 A 1 ATOM 165 C CA . VAL A 1 23 ? 14.658 -2.707 -6.618 1.00 89.74 23 A 1 ATOM 166 C C . VAL A 1 23 ? 13.546 -3.379 -7.423 1.00 88.14 23 A 1 ATOM 167 O O . VAL A 1 23 ? 13.572 -3.359 -8.652 1.00 84.89 23 A 1 ATOM 168 C CB . VAL A 1 23 ? 15.874 -3.657 -6.504 1.00 86.87 23 A 1 ATOM 169 C CG1 . VAL A 1 23 ? 17.078 -2.917 -5.927 1.00 77.68 23 A 1 ATOM 170 C CG2 . VAL A 1 23 ? 15.566 -4.881 -5.647 1.00 78.25 23 A 1 ATOM 171 N N . ALA A 1 24 ? 12.575 -3.962 -6.730 1.00 88.88 24 A 1 ATOM 172 C CA . ALA A 1 24 ? 11.443 -4.617 -7.384 1.00 86.77 24 A 1 ATOM 173 C C . ALA A 1 24 ? 10.173 -3.763 -7.347 1.00 86.05 24 A 1 ATOM 174 O O . ALA A 1 24 ? 9.298 -3.920 -8.197 1.00 83.03 24 A 1 ATOM 175 C CB . ALA A 1 24 ? 11.198 -5.973 -6.727 1.00 83.52 24 A 1 ATOM 176 N N . GLY A 1 25 ? 10.074 -2.877 -6.355 1.00 83.83 25 A 1 ATOM 177 C CA . GLY A 1 25 ? 8.882 -2.055 -6.165 1.00 79.59 25 A 1 ATOM 178 C C . GLY A 1 25 ? 8.951 -0.676 -6.807 1.00 79.97 25 A 1 ATOM 179 O O . GLY A 1 25 ? 7.915 -0.108 -7.152 1.00 77.47 25 A 1 ATOM 180 N N . ALA A 1 26 ? 10.157 -0.120 -6.980 1.00 82.18 26 A 1 ATOM 181 C CA . ALA A 1 26 ? 10.345 1.213 -7.560 1.00 79.53 26 A 1 ATOM 182 C C . ALA A 1 26 ? 10.617 1.127 -9.063 1.00 75.31 26 A 1 ATOM 183 O O . ALA A 1 26 ? 9.965 1.864 -9.828 1.00 71.26 26 A 1 ATOM 184 C CB . ALA A 1 26 ? 11.478 1.939 -6.833 1.00 74.08 26 A 1 ATOM 185 O OXT . ALA A 1 26 ? 11.485 0.344 -9.457 1.00 66.29 26 A 1 #