# 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_spkb40501 # _entry.id spkb40501 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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 ALA 2 1 n LEU 3 1 n LYS 4 1 n SER 5 1 n PRO 6 1 n ALA 7 1 n PHE 8 1 n ARG 9 1 n LYS 10 1 n LYS 11 1 n PHE 12 1 n PRO 13 1 n LEU 14 1 n LEU 15 1 n VAL 16 1 n THR 17 1 n GLY 18 1 n SER 19 1 n LEU 20 1 n LEU 21 1 n ALA 22 # _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 21:19:32)" _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 86.96 _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 69.18 1 1 A ALA 2 2 85.06 1 2 A LEU 3 2 81.32 1 3 A LYS 4 2 80.52 1 4 A SER 5 2 87.66 1 5 A PRO 6 2 90.92 1 6 A ALA 7 2 92.49 1 7 A PHE 8 2 88.75 1 8 A ARG 9 2 82.86 1 9 A LYS 10 2 87.54 1 10 A LYS 11 2 88.64 1 11 A PHE 12 2 88.87 1 12 A PRO 13 2 92.27 1 13 A LEU 14 2 89.80 1 14 A LEU 15 2 89.79 1 15 A VAL 16 2 90.38 1 16 A THR 17 2 90.50 1 17 A GLY 18 2 93.43 1 18 A SER 19 2 90.18 1 19 A LEU 20 2 88.78 1 20 A LEU 21 2 87.68 1 21 A ALA 22 2 83.93 1 22 # _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 LEU . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n PRO . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n LYS . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n ALA . 22 A 22 # _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 ? -3.394 3.783 13.675 1.00 74.16 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.133 3.042 13.547 1.00 76.06 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.951 3.949 13.872 1.00 76.88 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.872 5.067 13.368 1.00 71.96 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.968 2.484 12.130 1.00 70.35 1 A 1 ATOM 6 C CG . MET A 1 1 ? -3.050 1.482 11.754 1.00 67.30 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.867 0.864 10.075 1.00 61.51 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.244 -0.261 10.002 1.00 55.21 1 A 1 ATOM 9 N N . ALA A 1 2 ? -0.045 3.460 14.694 1.00 80.72 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 1.113 4.243 15.111 1.00 86.21 2 A 1 ATOM 11 C C . ALA A 1 2 ? 2.236 4.195 14.078 1.00 88.67 2 A 1 ATOM 12 O O . ALA A 1 2 ? 2.902 5.197 13.819 1.00 85.96 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 1.618 3.737 16.457 1.00 83.76 2 A 1 ATOM 14 N N . LEU A 1 3 ? 2.457 3.010 13.476 1.00 85.23 3 A 1 ATOM 15 C CA . LEU A 1 3 ? 3.516 2.832 12.485 1.00 86.08 3 A 1 ATOM 16 C C . LEU A 1 3 ? 3.089 3.289 11.098 1.00 87.92 3 A 1 ATOM 17 O O . LEU A 1 3 ? 3.803 4.037 10.424 1.00 83.57 3 A 1 ATOM 18 C CB . LEU A 1 3 ? 3.948 1.365 12.442 1.00 83.52 3 A 1 ATOM 19 C CG . LEU A 1 3 ? 5.110 1.069 11.493 1.00 77.35 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? 6.359 1.822 11.924 1.00 74.65 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? 5.380 -0.425 11.452 1.00 72.26 3 A 1 ATOM 22 N N . LYS A 1 4 ? 1.897 2.838 10.647 1.00 86.84 4 A 1 ATOM 23 C CA . LYS A 1 4 ? 1.385 3.184 9.327 1.00 87.71 4 A 1 ATOM 24 C C . LYS A 1 4 ? 0.329 4.277 9.428 1.00 88.30 4 A 1 ATOM 25 O O . LYS A 1 4 ? -0.702 4.089 10.074 1.00 86.15 4 A 1 ATOM 26 C CB . LYS A 1 4 ? 0.795 1.955 8.644 1.00 85.33 4 A 1 ATOM 27 C CG . LYS A 1 4 ? 1.808 0.841 8.391 1.00 78.59 4 A 1 ATOM 28 C CD . LYS A 1 4 ? 2.870 1.271 7.403 1.00 77.18 4 A 1 ATOM 29 C CE . LYS A 1 4 ? 3.833 0.142 7.090 1.00 71.19 4 A 1 ATOM 30 N NZ . LYS A 1 4 ? 4.870 0.553 6.102 1.00 63.37 4 A 1 ATOM 31 N N . SER A 1 5 ? 0.574 5.407 8.777 1.00 89.64 5 A 1 ATOM 32 C CA . SER A 1 5 ? -0.363 6.518 8.780 1.00 90.29 5 A 1 ATOM 33 C C . SER A 1 5 ? -1.518 6.250 7.815 1.00 91.11 5 A 1 ATOM 34 O O . SER A 1 5 ? -1.283 5.826 6.680 1.00 90.35 5 A 1 ATOM 35 C CB . SER A 1 5 ? 0.344 7.815 8.398 1.00 87.67 5 A 1 ATOM 36 O OG . SER A 1 5 ? 1.394 8.103 9.303 1.00 76.87 5 A 1 ATOM 37 N N . PRO A 1 6 ? -2.779 6.494 8.239 1.00 91.33 6 A 1 ATOM 38 C CA . PRO A 1 6 ? -3.965 6.268 7.403 1.00 91.93 6 A 1 ATOM 39 C C . PRO A 1 6 ? -3.912 7.063 6.105 1.00 93.08 6 A 1 ATOM 40 O O . PRO A 1 6 ? -4.310 6.569 5.049 1.00 91.56 6 A 1 ATOM 41 C CB . PRO A 1 6 ? -5.131 6.743 8.286 1.00 90.02 6 A 1 ATOM 42 C CG . PRO A 1 6 ? -4.601 6.716 9.682 1.00 87.78 6 A 1 ATOM 43 C CD . PRO A 1 6 ? -3.129 6.980 9.580 1.00 90.77 6 A 1 ATOM 44 N N . ALA A 1 7 ? -3.424 8.300 6.170 1.00 92.10 7 A 1 ATOM 45 C CA . ALA A 1 7 ? -3.319 9.168 5.002 1.00 92.88 7 A 1 ATOM 46 C C . ALA A 1 7 ? -2.344 8.599 3.975 1.00 93.46 7 A 1 ATOM 47 O O . ALA A 1 7 ? -2.557 8.721 2.770 1.00 91.79 7 A 1 ATOM 48 C CB . ALA A 1 7 ? -2.881 10.564 5.423 1.00 92.22 7 A 1 ATOM 49 N N . PHE A 1 8 ? -1.272 7.963 4.436 1.00 91.74 8 A 1 ATOM 50 C CA . PHE A 1 8 ? -0.272 7.359 3.563 1.00 91.41 8 A 1 ATOM 51 C C . PHE A 1 8 ? -0.849 6.168 2.814 1.00 91.86 8 A 1 ATOM 52 O O . PHE A 1 8 ? -0.582 5.974 1.629 1.00 90.78 8 A 1 ATOM 53 C CB . PHE A 1 8 ? 0.942 6.919 4.375 1.00 91.04 8 A 1 ATOM 54 C CG . PHE A 1 8 ? 2.033 6.310 3.532 1.00 89.46 8 A 1 ATOM 55 C CD1 . PHE A 1 8 ? 2.887 7.113 2.793 1.00 87.17 8 A 1 ATOM 56 C CD2 . PHE A 1 8 ? 2.199 4.936 3.484 1.00 86.54 8 A 1 ATOM 57 C CE1 . PHE A 1 8 ? 3.887 6.550 2.016 1.00 85.68 8 A 1 ATOM 58 C CE2 . PHE A 1 8 ? 3.200 4.369 2.703 1.00 85.68 8 A 1 ATOM 59 C CZ . PHE A 1 8 ? 4.045 5.180 1.971 1.00 84.90 8 A 1 ATOM 60 N N . ARG A 1 9 ? -1.661 5.355 3.498 1.00 91.66 9 A 1 ATOM 61 C CA . ARG A 1 9 ? -2.269 4.164 2.915 1.00 91.70 9 A 1 ATOM 62 C C . ARG A 1 9 ? -3.268 4.516 1.820 1.00 92.12 9 A 1 ATOM 63 O O . ARG A 1 9 ? -3.308 3.864 0.779 1.00 90.83 9 A 1 ATOM 64 C CB . ARG A 1 9 ? -2.961 3.335 3.997 1.00 90.22 9 A 1 ATOM 65 C CG . ARG A 1 9 ? -2.002 2.785 5.041 1.00 83.28 9 A 1 ATOM 66 C CD . ARG A 1 9 ? -1.094 1.723 4.452 1.00 82.47 9 A 1 ATOM 67 N NE . ARG A 1 9 ? -1.866 0.608 3.887 1.00 77.10 9 A 1 ATOM 68 C CZ . ARG A 1 9 ? -1.325 -0.527 3.454 1.00 74.65 9 A 1 ATOM 69 N NH1 . ARG A 1 9 ? -0.016 -0.712 3.513 1.00 70.08 9 A 1 ATOM 70 N NH2 . ARG A 1 9 ? -2.096 -1.480 2.955 1.00 67.31 9 A 1 ATOM 71 N N . LYS A 1 10 ? -4.082 5.549 2.053 1.00 92.89 10 A 1 ATOM 72 C CA . LYS A 1 10 ? -5.095 5.948 1.078 1.00 93.34 10 A 1 ATOM 73 C C . LYS A 1 10 ? -4.507 6.806 -0.040 1.00 93.79 10 A 1 ATOM 74 O O . LYS A 1 10 ? -5.073 6.874 -1.131 1.00 92.33 10 A 1 ATOM 75 C CB . LYS A 1 10 ? -6.250 6.681 1.770 1.00 93.20 10 A 1 ATOM 76 C CG . LYS A 1 10 ? -5.940 8.110 2.187 1.00 87.32 10 A 1 ATOM 77 C CD . LYS A 1 10 ? -7.064 8.687 3.033 1.00 83.84 10 A 1 ATOM 78 C CE . LYS A 1 10 ? -6.924 10.182 3.248 1.00 79.22 10 A 1 ATOM 79 N NZ . LYS A 1 10 ? -7.263 10.928 2.007 1.00 71.91 10 A 1 ATOM 80 N N . LYS A 1 11 ? -3.382 7.459 0.229 1.00 94.08 11 A 1 ATOM 81 C CA . LYS A 1 11 ? -2.716 8.301 -0.764 1.00 94.07 11 A 1 ATOM 82 C C . LYS A 1 11 ? -1.978 7.455 -1.798 1.00 93.85 11 A 1 ATOM 83 O O . LYS A 1 11 ? -2.051 7.721 -2.999 1.00 92.58 11 A 1 ATOM 84 C CB . LYS A 1 11 ? -1.740 9.255 -0.073 1.00 93.93 11 A 1 ATOM 85 C CG . LYS A 1 11 ? -0.992 10.167 -1.032 1.00 88.48 11 A 1 ATOM 86 C CD . LYS A 1 11 ? -1.926 11.162 -1.697 1.00 85.69 11 A 1 ATOM 87 C CE . LYS A 1 11 ? -2.477 12.167 -0.700 1.00 81.27 11 A 1 ATOM 88 N NZ . LYS A 1 11 ? -3.325 13.199 -1.350 1.00 73.82 11 A 1 ATOM 89 N N . PHE A 1 12 ? -1.273 6.432 -1.334 1.00 92.45 12 A 1 ATOM 90 C CA . PHE A 1 12 ? -0.506 5.565 -2.221 1.00 91.79 12 A 1 ATOM 91 C C . PHE A 1 12 ? -0.808 4.087 -1.972 1.00 92.56 12 A 1 ATOM 92 O O . PHE A 1 12 ? 0.056 3.340 -1.503 1.00 90.77 12 A 1 ATOM 93 C CB . PHE A 1 12 ? 0.989 5.814 -2.034 1.00 90.68 12 A 1 ATOM 94 C CG . PHE A 1 12 ? 1.396 7.247 -2.219 1.00 89.29 12 A 1 ATOM 95 C CD1 . PHE A 1 12 ? 1.480 7.804 -3.481 1.00 86.40 12 A 1 ATOM 96 C CD2 . PHE A 1 12 ? 1.692 8.033 -1.118 1.00 86.93 12 A 1 ATOM 97 C CE1 . PHE A 1 12 ? 1.855 9.126 -3.649 1.00 85.82 12 A 1 ATOM 98 C CE2 . PHE A 1 12 ? 2.068 9.355 -1.276 1.00 85.62 12 A 1 ATOM 99 C CZ . PHE A 1 12 ? 2.151 9.902 -2.546 1.00 85.25 12 A 1 ATOM 100 N N . PRO A 1 13 ? -2.032 3.635 -2.306 1.00 93.20 13 A 1 ATOM 101 C CA . PRO A 1 13 ? -2.422 2.236 -2.110 1.00 93.03 13 A 1 ATOM 102 C C . PRO A 1 13 ? -1.684 1.295 -3.057 1.00 93.67 13 A 1 ATOM 103 O O . PRO A 1 13 ? -1.214 0.233 -2.650 1.00 91.68 13 A 1 ATOM 104 C CB . PRO A 1 13 ? -3.929 2.237 -2.397 1.00 91.24 13 A 1 ATOM 105 C CG . PRO A 1 13 ? -4.145 3.416 -3.287 1.00 90.03 13 A 1 ATOM 106 C CD . PRO A 1 13 ? -3.109 4.433 -2.898 1.00 93.01 13 A 1 ATOM 107 N N . LEU A 1 14 ? -1.571 1.689 -4.336 1.00 92.06 14 A 1 ATOM 108 C CA . LEU A 1 14 ? -0.900 0.872 -5.343 1.00 92.99 14 A 1 ATOM 109 C C . LEU A 1 14 ? 0.609 0.841 -5.124 1.00 93.80 14 A 1 ATOM 110 O O . LEU A 1 14 ? 1.266 -0.156 -5.416 1.00 91.32 14 A 1 ATOM 111 C CB . LEU A 1 14 ? -1.207 1.398 -6.744 1.00 92.05 14 A 1 ATOM 112 C CG . LEU A 1 14 ? -2.686 1.365 -7.136 1.00 87.87 14 A 1 ATOM 113 C CD1 . LEU A 1 14 ? -2.877 1.957 -8.524 1.00 84.41 14 A 1 ATOM 114 C CD2 . LEU A 1 14 ? -3.228 -0.054 -7.081 1.00 83.92 14 A 1 ATOM 115 N N . LEU A 1 15 ? 1.154 1.928 -4.614 1.00 93.59 15 A 1 ATOM 116 C CA . LEU A 1 15 ? 2.585 2.023 -4.343 1.00 93.44 15 A 1 ATOM 117 C C . LEU A 1 15 ? 2.994 1.024 -3.265 1.00 93.91 15 A 1 ATOM 118 O O . LEU A 1 15 ? 4.014 0.342 -3.387 1.00 91.53 15 A 1 ATOM 119 C CB . LEU A 1 15 ? 2.947 3.456 -3.930 1.00 92.36 15 A 1 ATOM 120 C CG . LEU A 1 15 ? 4.435 3.809 -3.987 1.00 87.34 15 A 1 ATOM 121 C CD1 . LEU A 1 15 ? 4.613 5.322 -4.027 1.00 83.29 15 A 1 ATOM 122 C CD2 . LEU A 1 15 ? 5.186 3.246 -2.790 1.00 82.87 15 A 1 ATOM 123 N N . VAL A 1 16 ? 2.185 0.929 -2.213 1.00 92.95 16 A 1 ATOM 124 C CA . VAL A 1 16 ? 2.448 -0.004 -1.122 1.00 92.25 16 A 1 ATOM 125 C C . VAL A 1 16 ? 2.369 -1.441 -1.620 1.00 92.26 16 A 1 ATOM 126 O O . VAL A 1 16 ? 3.217 -2.276 -1.294 1.00 90.99 16 A 1 ATOM 127 C CB . VAL A 1 16 ? 1.456 0.201 0.039 1.00 91.07 16 A 1 ATOM 128 C CG1 . VAL A 1 16 ? 1.676 -0.834 1.131 1.00 85.75 16 A 1 ATOM 129 C CG2 . VAL A 1 16 ? 1.595 1.600 0.611 1.00 87.38 16 A 1 ATOM 130 N N . THR A 1 17 ? 1.350 -1.726 -2.437 1.00 93.48 17 A 1 ATOM 131 C CA . THR A 1 17 ? 1.164 -3.063 -2.994 1.00 93.34 17 A 1 ATOM 132 C C . THR A 1 17 ? 2.316 -3.420 -3.935 1.00 93.29 17 A 1 ATOM 133 O O . THR A 1 17 ? 2.785 -4.557 -3.953 1.00 90.60 17 A 1 ATOM 134 C CB . THR A 1 17 ? -0.163 -3.163 -3.759 1.00 91.66 17 A 1 ATOM 135 O OG1 . THR A 1 17 ? -1.247 -2.805 -2.902 1.00 86.20 17 A 1 ATOM 136 C CG2 . THR A 1 17 ? -0.387 -4.576 -4.271 1.00 84.91 17 A 1 ATOM 137 N N . GLY A 1 18 ? 2.773 -2.451 -4.721 1.00 93.81 18 A 1 ATOM 138 C CA . GLY A 1 18 ? 3.882 -2.664 -5.642 1.00 93.15 18 A 1 ATOM 139 C C . GLY A 1 18 ? 5.158 -3.049 -4.922 1.00 94.19 18 A 1 ATOM 140 O O . GLY A 1 18 ? 5.893 -3.932 -5.364 1.00 92.56 18 A 1 ATOM 141 N N . SER A 1 19 ? 5.424 -2.393 -3.801 1.00 92.76 19 A 1 ATOM 142 C CA . SER A 1 19 ? 6.608 -2.684 -2.995 1.00 92.64 19 A 1 ATOM 143 C C . SER A 1 19 ? 6.531 -4.080 -2.385 1.00 92.84 19 A 1 ATOM 144 O O . SER A 1 19 ? 7.546 -4.756 -2.229 1.00 90.35 19 A 1 ATOM 145 C CB . SER A 1 19 ? 6.766 -1.650 -1.882 1.00 90.58 19 A 1 ATOM 146 O OG . SER A 1 19 ? 6.928 -0.353 -2.418 1.00 81.89 19 A 1 ATOM 147 N N . LEU A 1 20 ? 5.311 -4.511 -2.059 1.00 92.79 20 A 1 ATOM 148 C CA . LEU A 1 20 ? 5.092 -5.833 -1.477 1.00 92.77 20 A 1 ATOM 149 C C . LEU A 1 20 ? 5.342 -6.934 -2.502 1.00 93.34 20 A 1 ATOM 150 O O . LEU A 1 20 ? 5.904 -7.983 -2.181 1.00 90.48 20 A 1 ATOM 151 C CB . LEU A 1 20 ? 3.662 -5.943 -0.941 1.00 91.65 20 A 1 ATOM 152 C CG . LEU A 1 20 ? 3.322 -7.277 -0.267 1.00 86.62 20 A 1 ATOM 153 C CD1 . LEU A 1 20 ? 4.157 -7.474 0.989 1.00 81.68 20 A 1 ATOM 154 C CD2 . LEU A 1 20 ? 1.840 -7.340 0.077 1.00 80.95 20 A 1 ATOM 155 N N . LEU A 1 21 ? 4.907 -6.702 -3.747 1.00 92.67 21 A 1 ATOM 156 C CA . LEU A 1 21 ? 5.063 -7.681 -4.816 1.00 92.14 21 A 1 ATOM 157 C C . LEU A 1 21 ? 6.497 -7.743 -5.325 1.00 92.32 21 A 1 ATOM 158 O O . LEU A 1 21 ? 6.956 -8.789 -5.785 1.00 89.13 21 A 1 ATOM 159 C CB . LEU A 1 21 ? 4.118 -7.347 -5.977 1.00 90.42 21 A 1 ATOM 160 C CG . LEU A 1 21 ? 2.627 -7.428 -5.642 1.00 86.06 21 A 1 ATOM 161 C CD1 . LEU A 1 21 ? 1.788 -6.979 -6.829 1.00 80.35 21 A 1 ATOM 162 C CD2 . LEU A 1 21 ? 2.244 -8.839 -5.231 1.00 78.32 21 A 1 ATOM 163 N N . ALA A 1 22 ? 7.209 -6.629 -5.253 1.00 89.12 22 A 1 ATOM 164 C CA . ALA A 1 22 ? 8.589 -6.533 -5.716 1.00 87.86 22 A 1 ATOM 165 C C . ALA A 1 22 ? 9.502 -7.424 -4.872 1.00 85.83 22 A 1 ATOM 166 O O . ALA A 1 22 ? 10.158 -8.317 -5.436 1.00 81.27 22 A 1 ATOM 167 C CB . ALA A 1 22 ? 9.060 -5.088 -5.677 1.00 83.62 22 A 1 ATOM 168 O OXT . ALA A 1 22 ? 9.573 -7.232 -3.660 1.00 75.87 22 A 1 #