# 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_spkb38961 # _entry.id spkb38961 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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 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" "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 GLU 2 1 n SER 3 1 n PRO 4 1 n MET 5 1 n THR 6 1 n SER 7 1 n THR 8 1 n LEU 9 1 n HIS 10 1 n ARG 11 1 n THR 12 1 n PRO 13 1 n LEU 14 1 n ALA 15 1 n THR 16 1 n ALA 17 1 n GLY 18 1 n LEU 19 1 n ALA 20 1 n LEU 21 1 n VAL 22 1 n VAL 23 1 n ALA 24 1 n LEU 25 1 n GLY 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 @ 2025-07-04 22:16:34)" _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 79.17 _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 64.92 1 1 A GLU 2 2 54.30 1 2 A SER 3 2 66.36 1 3 A PRO 4 2 64.97 1 4 A MET 5 2 63.13 1 5 A THR 6 2 66.04 1 6 A SER 7 2 66.59 1 7 A THR 8 2 67.30 1 8 A LEU 9 2 64.99 1 9 A HIS 10 2 64.29 1 10 A ARG 11 2 74.80 1 11 A THR 12 2 80.59 1 12 A PRO 13 2 87.74 1 13 A LEU 14 2 87.08 1 14 A ALA 15 2 93.60 1 15 A THR 16 2 90.17 1 16 A ALA 17 2 94.12 1 17 A GLY 18 2 95.06 1 18 A LEU 19 2 91.51 1 19 A ALA 20 2 95.89 1 20 A LEU 21 2 93.46 1 21 A VAL 22 2 96.24 1 22 A VAL 23 2 95.81 1 23 A ALA 24 2 97.14 1 24 A LEU 25 2 93.64 1 25 A GLY 26 2 93.42 1 26 A GLY 27 2 76.59 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 GLU . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n MET . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n HIS . 10 A 10 A 11 1 n ARG . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n GLY . 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 ? -20.970 1.691 -1.449 1.00 64.15 1 A 1 ATOM 2 C CA . MET A 1 1 ? -20.361 1.848 -0.111 1.00 71.34 1 A 1 ATOM 3 C C . MET A 1 1 ? -19.191 0.877 -0.030 1.00 73.39 1 A 1 ATOM 4 O O . MET A 1 1 ? -19.411 -0.306 0.166 1.00 68.44 1 A 1 ATOM 5 C CB . MET A 1 1 ? -21.391 1.551 0.997 1.00 67.24 1 A 1 ATOM 6 C CG . MET A 1 1 ? -22.326 2.738 1.264 1.00 63.40 1 A 1 ATOM 7 S SD . MET A 1 1 ? -23.697 2.290 2.371 1.00 58.67 1 A 1 ATOM 8 C CE . MET A 1 1 ? -24.267 3.920 2.883 1.00 52.74 1 A 1 ATOM 9 N N . GLU A 1 2 ? -17.965 1.323 -0.284 1.00 57.33 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -16.772 0.485 -0.137 1.00 59.75 2 A 1 ATOM 11 C C . GLU A 1 2 ? -16.424 0.418 1.349 1.00 59.63 2 A 1 ATOM 12 O O . GLU A 1 2 ? -16.216 1.448 1.993 1.00 55.88 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -15.610 1.033 -0.963 1.00 56.81 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -15.882 0.930 -2.467 1.00 52.36 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -14.634 1.309 -3.269 1.00 50.32 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -13.994 0.387 -3.799 1.00 47.63 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -14.330 2.521 -3.319 1.00 49.01 2 A 1 ATOM 18 N N . SER A 1 3 ? -16.419 -0.789 1.914 1.00 67.42 3 A 1 ATOM 19 C CA . SER A 1 3 ? -16.055 -0.977 3.315 1.00 69.67 3 A 1 ATOM 20 C C . SER A 1 3 ? -14.601 -0.543 3.530 1.00 70.03 3 A 1 ATOM 21 O O . SER A 1 3 ? -13.722 -0.971 2.779 1.00 66.01 3 A 1 ATOM 22 C CB . SER A 1 3 ? -16.239 -2.436 3.733 1.00 65.79 3 A 1 ATOM 23 O OG . SER A 1 3 ? -17.613 -2.713 3.924 1.00 59.27 3 A 1 ATOM 24 N N . PRO A 1 4 ? -14.307 0.263 4.563 1.00 64.40 4 A 1 ATOM 25 C CA . PRO A 1 4 ? -12.945 0.732 4.849 1.00 67.09 4 A 1 ATOM 26 C C . PRO A 1 4 ? -11.953 -0.420 5.078 1.00 69.43 4 A 1 ATOM 27 O O . PRO A 1 4 ? -10.758 -0.261 4.839 1.00 64.56 4 A 1 ATOM 28 C CB . PRO A 1 4 ? -13.092 1.635 6.081 1.00 63.26 4 A 1 ATOM 29 C CG . PRO A 1 4 ? -14.400 1.194 6.731 1.00 60.92 4 A 1 ATOM 30 C CD . PRO A 1 4 ? -15.249 0.749 5.555 1.00 65.12 4 A 1 ATOM 31 N N . MET A 1 5 ? -12.444 -1.595 5.450 1.00 64.29 5 A 1 ATOM 32 C CA . MET A 1 5 ? -11.657 -2.823 5.619 1.00 67.79 5 A 1 ATOM 33 C C . MET A 1 5 ? -11.009 -3.313 4.314 1.00 69.78 5 A 1 ATOM 34 O O . MET A 1 5 ? -9.837 -3.673 4.303 1.00 65.10 5 A 1 ATOM 35 C CB . MET A 1 5 ? -12.560 -3.917 6.216 1.00 65.40 5 A 1 ATOM 36 C CG . MET A 1 5 ? -12.045 -4.380 7.572 1.00 62.61 5 A 1 ATOM 37 S SD . MET A 1 5 ? -13.124 -5.605 8.349 1.00 58.08 5 A 1 ATOM 38 C CE . MET A 1 5 ? -12.127 -6.018 9.800 1.00 51.99 5 A 1 ATOM 39 N N . THR A 1 6 ? -11.728 -3.282 3.182 1.00 68.51 6 A 1 ATOM 40 C CA . THR A 1 6 ? -11.208 -3.701 1.871 1.00 69.40 6 A 1 ATOM 41 C C . THR A 1 6 ? -10.140 -2.745 1.349 1.00 69.70 6 A 1 ATOM 42 O O . THR A 1 6 ? -9.147 -3.184 0.771 1.00 66.08 6 A 1 ATOM 43 C CB . THR A 1 6 ? -12.328 -3.834 0.818 1.00 66.58 6 A 1 ATOM 44 O OG1 . THR A 1 6 ? -13.579 -3.415 1.313 1.00 60.99 6 A 1 ATOM 45 C CG2 . THR A 1 6 ? -12.498 -5.267 0.350 1.00 61.00 6 A 1 ATOM 46 N N . SER A 1 7 ? -10.285 -1.447 1.600 1.00 67.70 7 A 1 ATOM 47 C CA . SER A 1 7 ? -9.299 -0.431 1.222 1.00 69.07 7 A 1 ATOM 48 C C . SER A 1 7 ? -7.975 -0.615 1.970 1.00 71.31 7 A 1 ATOM 49 O O . SER A 1 7 ? -6.904 -0.513 1.372 1.00 67.32 7 A 1 ATOM 50 C CB . SER A 1 7 ? -9.881 0.955 1.481 1.00 65.46 7 A 1 ATOM 51 O OG . SER A 1 7 ? -9.016 1.952 0.979 1.00 58.71 7 A 1 ATOM 52 N N . THR A 1 8 ? -8.020 -0.952 3.250 1.00 69.34 8 A 1 ATOM 53 C CA . THR A 1 8 ? -6.822 -1.181 4.074 1.00 70.11 8 A 1 ATOM 54 C C . THR A 1 8 ? -6.073 -2.439 3.637 1.00 70.98 8 A 1 ATOM 55 O O . THR A 1 8 ? -4.854 -2.398 3.479 1.00 69.09 8 A 1 ATOM 56 C CB . THR A 1 8 ? -7.184 -1.262 5.562 1.00 67.98 8 A 1 ATOM 57 O OG1 . THR A 1 8 ? -7.981 -0.153 5.915 1.00 61.82 8 A 1 ATOM 58 C CG2 . THR A 1 8 ? -5.955 -1.220 6.458 1.00 61.75 8 A 1 ATOM 59 N N . LEU A 1 9 ? -6.786 -3.532 3.332 1.00 70.00 9 A 1 ATOM 60 C CA . LEU A 1 9 ? -6.186 -4.786 2.860 1.00 67.96 9 A 1 ATOM 61 C C . LEU A 1 9 ? -5.489 -4.641 1.501 1.00 71.30 9 A 1 ATOM 62 O O . LEU A 1 9 ? -4.493 -5.316 1.257 1.00 67.69 9 A 1 ATOM 63 C CB . LEU A 1 9 ? -7.265 -5.876 2.785 1.00 64.87 9 A 1 ATOM 64 C CG . LEU A 1 9 ? -7.729 -6.400 4.152 1.00 61.31 9 A 1 ATOM 65 C CD1 . LEU A 1 9 ? -8.922 -7.332 3.956 1.00 58.75 9 A 1 ATOM 66 C CD2 . LEU A 1 9 ? -6.631 -7.184 4.868 1.00 58.03 9 A 1 ATOM 67 N N . HIS A 1 10 ? -5.963 -3.735 0.622 1.00 70.56 10 A 1 ATOM 68 C CA . HIS A 1 10 ? -5.310 -3.447 -0.659 1.00 70.76 10 A 1 ATOM 69 C C . HIS A 1 10 ? -4.165 -2.431 -0.526 1.00 73.00 10 A 1 ATOM 70 O O . HIS A 1 10 ? -3.174 -2.524 -1.249 1.00 70.49 10 A 1 ATOM 71 C CB . HIS A 1 10 ? -6.362 -2.977 -1.674 1.00 68.04 10 A 1 ATOM 72 C CG . HIS A 1 10 ? -6.966 -4.105 -2.464 1.00 63.76 10 A 1 ATOM 73 N ND1 . HIS A 1 10 ? -7.088 -4.131 -3.841 1.00 58.90 10 A 1 ATOM 74 C CD2 . HIS A 1 10 ? -7.462 -5.297 -2.011 1.00 56.75 10 A 1 ATOM 75 C CE1 . HIS A 1 10 ? -7.647 -5.299 -4.187 1.00 55.43 10 A 1 ATOM 76 N NE2 . HIS A 1 10 ? -7.886 -6.043 -3.101 1.00 55.26 10 A 1 ATOM 77 N N . ARG A 1 11 ? -4.252 -1.467 0.397 1.00 84.82 11 A 1 ATOM 78 C CA . ARG A 1 11 ? -3.213 -0.446 0.590 1.00 86.56 11 A 1 ATOM 79 C C . ARG A 1 11 ? -1.943 -1.005 1.216 1.00 89.26 11 A 1 ATOM 80 O O . ARG A 1 11 ? -0.858 -0.593 0.811 1.00 86.86 11 A 1 ATOM 81 C CB . ARG A 1 11 ? -3.730 0.716 1.444 1.00 83.19 11 A 1 ATOM 82 C CG . ARG A 1 11 ? -4.487 1.741 0.595 1.00 74.22 11 A 1 ATOM 83 C CD . ARG A 1 11 ? -4.861 2.929 1.473 1.00 72.38 11 A 1 ATOM 84 N NE . ARG A 1 11 ? -5.567 3.969 0.706 1.00 66.38 11 A 1 ATOM 85 C CZ . ARG A 1 11 ? -5.896 5.169 1.156 1.00 63.53 11 A 1 ATOM 86 N NH1 . ARG A 1 11 ? -5.593 5.557 2.369 1.00 58.41 11 A 1 ATOM 87 N NH2 . ARG A 1 11 ? -6.542 6.006 0.389 1.00 57.21 11 A 1 ATOM 88 N N . THR A 1 12 ? -2.051 -1.928 2.150 1.00 84.02 12 A 1 ATOM 89 C CA . THR A 1 12 ? -0.880 -2.483 2.846 1.00 84.26 12 A 1 ATOM 90 C C . THR A 1 12 ? 0.096 -3.181 1.889 1.00 86.53 12 A 1 ATOM 91 O O . THR A 1 12 ? 1.262 -2.785 1.872 1.00 84.83 12 A 1 ATOM 92 C CB . THR A 1 12 ? -1.297 -3.399 4.006 1.00 81.20 12 A 1 ATOM 93 O OG1 . THR A 1 12 ? -2.297 -2.763 4.769 1.00 72.84 12 A 1 ATOM 94 C CG2 . THR A 1 12 ? -0.137 -3.701 4.941 1.00 70.46 12 A 1 ATOM 95 N N . PRO A 1 13 ? -0.313 -4.143 1.033 1.00 89.62 13 A 1 ATOM 96 C CA . PRO A 1 13 ? 0.612 -4.785 0.103 1.00 89.96 13 A 1 ATOM 97 C C . PRO A 1 13 ? 1.133 -3.821 -0.965 1.00 91.36 13 A 1 ATOM 98 O O . PRO A 1 13 ? 2.297 -3.913 -1.338 1.00 88.58 13 A 1 ATOM 99 C CB . PRO A 1 13 ? -0.166 -5.959 -0.506 1.00 86.69 13 A 1 ATOM 100 C CG . PRO A 1 13 ? -1.626 -5.545 -0.364 1.00 82.50 13 A 1 ATOM 101 C CD . PRO A 1 13 ? -1.624 -4.750 0.938 1.00 85.46 13 A 1 ATOM 102 N N . LEU A 1 14 ? 0.331 -2.861 -1.418 1.00 92.35 14 A 1 ATOM 103 C CA . LEU A 1 14 ? 0.757 -1.872 -2.406 1.00 92.80 14 A 1 ATOM 104 C C . LEU A 1 14 ? 1.806 -0.908 -1.836 1.00 93.79 14 A 1 ATOM 105 O O . LEU A 1 14 ? 2.794 -0.608 -2.504 1.00 92.54 14 A 1 ATOM 106 C CB . LEU A 1 14 ? -0.477 -1.117 -2.916 1.00 90.68 14 A 1 ATOM 107 C CG . LEU A 1 14 ? -0.196 -0.253 -4.152 1.00 80.48 14 A 1 ATOM 108 C CD1 . LEU A 1 14 ? 0.053 -1.107 -5.392 1.00 77.31 14 A 1 ATOM 109 C CD2 . LEU A 1 14 ? -1.396 0.654 -4.424 1.00 76.67 14 A 1 ATOM 110 N N . ALA A 1 15 ? 1.627 -0.449 -0.599 1.00 94.12 15 A 1 ATOM 111 C CA . ALA A 1 15 ? 2.591 0.404 0.087 1.00 93.81 15 A 1 ATOM 112 C C . ALA A 1 15 ? 3.911 -0.337 0.348 1.00 94.87 15 A 1 ATOM 113 O O . ALA A 1 15 ? 4.980 0.222 0.112 1.00 93.24 15 A 1 ATOM 114 C CB . ALA A 1 15 ? 1.964 0.916 1.390 1.00 91.98 15 A 1 ATOM 115 N N . THR A 1 16 ? 3.852 -1.602 0.744 1.00 92.77 16 A 1 ATOM 116 C CA . THR A 1 16 ? 5.046 -2.437 0.940 1.00 92.90 16 A 1 ATOM 117 C C . THR A 1 16 ? 5.788 -2.681 -0.375 1.00 93.96 16 A 1 ATOM 118 O O . THR A 1 16 ? 7.009 -2.551 -0.412 1.00 93.25 16 A 1 ATOM 119 C CB . THR A 1 16 ? 4.670 -3.777 1.583 1.00 91.15 16 A 1 ATOM 120 O OG1 . THR A 1 16 ? 3.969 -3.552 2.782 1.00 84.34 16 A 1 ATOM 121 C CG2 . THR A 1 16 ? 5.888 -4.617 1.945 1.00 82.81 16 A 1 ATOM 122 N N . ALA A 1 17 ? 5.082 -2.971 -1.470 1.00 94.25 17 A 1 ATOM 123 C CA . ALA A 1 17 ? 5.688 -3.144 -2.787 1.00 94.06 17 A 1 ATOM 124 C C . ALA A 1 17 ? 6.332 -1.847 -3.302 1.00 95.22 17 A 1 ATOM 125 O O . ALA A 1 17 ? 7.441 -1.884 -3.829 1.00 94.34 17 A 1 ATOM 126 C CB . ALA A 1 17 ? 4.616 -3.656 -3.756 1.00 92.75 17 A 1 ATOM 127 N N . GLY A 1 18 ? 5.679 -0.702 -3.103 1.00 94.55 18 A 1 ATOM 128 C CA . GLY A 1 18 ? 6.235 0.606 -3.446 1.00 94.62 18 A 1 ATOM 129 C C . GLY A 1 18 ? 7.502 0.928 -2.656 1.00 95.69 18 A 1 ATOM 130 O O . GLY A 1 18 ? 8.495 1.352 -3.244 1.00 95.39 18 A 1 ATOM 131 N N . LEU A 1 19 ? 7.507 0.659 -1.354 1.00 95.35 19 A 1 ATOM 132 C CA . LEU A 1 19 ? 8.691 0.850 -0.516 1.00 95.34 19 A 1 ATOM 133 C C . LEU A 1 19 ? 9.844 -0.064 -0.947 1.00 96.14 19 A 1 ATOM 134 O O . LEU A 1 19 ? 10.972 0.401 -1.080 1.00 96.03 19 A 1 ATOM 135 C CB . LEU A 1 19 ? 8.305 0.614 0.953 1.00 94.40 19 A 1 ATOM 136 C CG . LEU A 1 19 ? 9.453 0.884 1.946 1.00 85.93 19 A 1 ATOM 137 C CD1 . LEU A 1 19 ? 9.863 2.355 1.962 1.00 84.36 19 A 1 ATOM 138 C CD2 . LEU A 1 19 ? 9.009 0.482 3.353 1.00 84.51 19 A 1 ATOM 139 N N . ALA A 1 20 ? 9.564 -1.344 -1.223 1.00 95.77 20 A 1 ATOM 140 C CA . ALA A 1 20 ? 10.570 -2.289 -1.703 1.00 95.83 20 A 1 ATOM 141 C C . ALA A 1 20 ? 11.182 -1.847 -3.041 1.00 96.73 20 A 1 ATOM 142 O O . ALA A 1 20 ? 12.393 -1.954 -3.224 1.00 96.20 20 A 1 ATOM 143 C CB . ALA A 1 20 ? 9.924 -3.676 -1.815 1.00 94.91 20 A 1 ATOM 144 N N . LEU A 1 21 ? 10.375 -1.290 -3.948 1.00 96.08 21 A 1 ATOM 145 C CA . LEU A 1 21 ? 10.851 -0.738 -5.214 1.00 96.27 21 A 1 ATOM 146 C C . LEU A 1 21 ? 11.766 0.477 -5.004 1.00 96.98 21 A 1 ATOM 147 O O . LEU A 1 21 ? 12.819 0.560 -5.631 1.00 96.89 21 A 1 ATOM 148 C CB . LEU A 1 21 ? 9.636 -0.385 -6.088 1.00 95.76 21 A 1 ATOM 149 C CG . LEU A 1 21 ? 10.006 0.093 -7.501 1.00 90.21 21 A 1 ATOM 150 C CD1 . LEU A 1 21 ? 10.622 -1.035 -8.334 1.00 87.77 21 A 1 ATOM 151 C CD2 . LEU A 1 21 ? 8.754 0.597 -8.217 1.00 87.72 21 A 1 ATOM 152 N N . VAL A 1 22 ? 11.399 1.395 -4.105 1.00 96.91 22 A 1 ATOM 153 C CA . VAL A 1 22 ? 12.239 2.561 -3.770 1.00 96.88 22 A 1 ATOM 154 C C . VAL A 1 22 ? 13.580 2.119 -3.180 1.00 97.32 22 A 1 ATOM 155 O O . VAL A 1 22 ? 14.616 2.629 -3.597 1.00 97.05 22 A 1 ATOM 156 C CB . VAL A 1 22 ? 11.504 3.518 -2.813 1.00 96.26 22 A 1 ATOM 157 C CG1 . VAL A 1 22 ? 12.402 4.639 -2.276 1.00 94.75 22 A 1 ATOM 158 C CG2 . VAL A 1 22 ? 10.325 4.197 -3.527 1.00 94.52 22 A 1 ATOM 159 N N . VAL A 1 23 ? 13.579 1.148 -2.276 1.00 97.05 23 A 1 ATOM 160 C CA . VAL A 1 23 ? 14.819 0.605 -1.693 1.00 96.81 23 A 1 ATOM 161 C C . VAL A 1 23 ? 15.673 -0.087 -2.761 1.00 97.24 23 A 1 ATOM 162 O O . VAL A 1 23 ? 16.882 0.109 -2.790 1.00 96.86 23 A 1 ATOM 163 C CB . VAL A 1 23 ? 14.495 -0.347 -0.529 1.00 96.01 23 A 1 ATOM 164 C CG1 . VAL A 1 23 ? 15.734 -1.073 0.010 1.00 93.54 23 A 1 ATOM 165 C CG2 . VAL A 1 23 ? 13.882 0.426 0.650 1.00 93.13 23 A 1 ATOM 166 N N . ALA A 1 24 ? 15.059 -0.845 -3.673 1.00 97.25 24 A 1 ATOM 167 C CA . ALA A 1 24 ? 15.784 -1.529 -4.745 1.00 97.25 24 A 1 ATOM 168 C C . ALA A 1 24 ? 16.395 -0.563 -5.779 1.00 97.55 24 A 1 ATOM 169 O O . ALA A 1 24 ? 17.425 -0.880 -6.369 1.00 96.84 24 A 1 ATOM 170 C CB . ALA A 1 24 ? 14.824 -2.518 -5.418 1.00 96.82 24 A 1 ATOM 171 N N . LEU A 1 25 ? 15.771 0.599 -6.015 1.00 96.95 25 A 1 ATOM 172 C CA . LEU A 1 25 ? 16.238 1.594 -6.988 1.00 96.87 25 A 1 ATOM 173 C C . LEU A 1 25 ? 17.157 2.660 -6.380 1.00 96.90 25 A 1 ATOM 174 O O . LEU A 1 25 ? 17.933 3.277 -7.113 1.00 95.77 25 A 1 ATOM 175 C CB . LEU A 1 25 ? 15.012 2.266 -7.635 1.00 96.18 25 A 1 ATOM 176 C CG . LEU A 1 25 ? 14.180 1.352 -8.554 1.00 92.47 25 A 1 ATOM 177 C CD1 . LEU A 1 25 ? 12.921 2.100 -8.993 1.00 87.53 25 A 1 ATOM 178 C CD2 . LEU A 1 25 ? 14.945 0.936 -9.812 1.00 86.41 25 A 1 ATOM 179 N N . GLY A 1 26 ? 17.051 2.922 -5.078 1.00 95.94 26 A 1 ATOM 180 C CA . GLY A 1 26 ? 17.748 4.006 -4.379 1.00 94.83 26 A 1 ATOM 181 C C . GLY A 1 26 ? 18.742 3.542 -3.310 1.00 93.72 26 A 1 ATOM 182 O O . GLY A 1 26 ? 19.239 4.387 -2.568 1.00 89.19 26 A 1 ATOM 183 N N . GLY A 1 27 ? 19.002 2.234 -3.221 1.00 89.04 27 A 1 ATOM 184 C CA . GLY A 1 27 ? 20.006 1.643 -2.331 1.00 81.86 27 A 1 ATOM 185 C C . GLY A 1 27 ? 21.422 1.693 -2.893 1.00 72.25 27 A 1 ATOM 186 O O . GLY A 1 27 ? 21.577 1.718 -4.128 1.00 66.07 27 A 1 ATOM 187 O OXT . GLY A 1 27 ? 22.379 1.694 -2.056 1.00 73.75 27 A 1 #