# 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_spkb41986 # _entry.id spkb41986 # 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 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" # _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 SER 2 1 n PRO 3 1 n PHE 4 1 n SER 5 1 n SER 6 1 n ALA 7 1 n PHE 8 1 n ARG 9 1 n PRO 10 1 n ARG 11 1 n ARG 12 1 n ILE 13 1 n ALA 14 1 n ILE 15 1 n SER 16 1 n ALA 17 1 n LEU 18 1 n LEU 19 1 n LEU 20 1 n ALA 21 1 n ILE 22 1 n GLY 23 1 n ALA 24 1 n LEU 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 @ 2025-07-08 12:30:42)" _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 91.31 _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 74.93 1 1 A SER 2 2 84.79 1 2 A PRO 3 2 90.02 1 3 A PHE 4 2 85.73 1 4 A SER 5 2 90.97 1 5 A SER 6 2 89.83 1 6 A ALA 7 2 94.07 1 7 A PHE 8 2 88.65 1 8 A ARG 9 2 86.36 1 9 A PRO 10 2 94.39 1 10 A ARG 11 2 86.67 1 11 A ARG 12 2 86.15 1 12 A ILE 13 2 93.84 1 13 A ALA 14 2 97.20 1 14 A ILE 15 2 95.05 1 15 A SER 16 2 95.08 1 16 A ALA 17 2 97.76 1 17 A LEU 18 2 95.07 1 18 A LEU 19 2 96.38 1 19 A LEU 20 2 95.02 1 20 A ALA 21 2 98.63 1 21 A ILE 22 2 97.03 1 22 A GLY 23 2 98.44 1 23 A ALA 24 2 98.14 1 24 A LEU 25 2 94.16 1 25 A ALA 26 2 92.13 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 SER . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n SER . 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 PRO . 10 A 10 A 11 1 n ARG . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n ILE . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n LEU . 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 ? -20.506 -5.659 -1.823 1.00 81.35 1 A 1 ATOM 2 C CA . MET A 1 1 ? -19.319 -4.948 -1.305 1.00 81.29 1 A 1 ATOM 3 C C . MET A 1 1 ? -19.226 -3.555 -1.908 1.00 82.26 1 A 1 ATOM 4 O O . MET A 1 1 ? -19.601 -3.354 -3.059 1.00 76.13 1 A 1 ATOM 5 C CB . MET A 1 1 ? -18.049 -5.724 -1.649 1.00 75.22 1 A 1 ATOM 6 C CG . MET A 1 1 ? -18.069 -7.118 -1.038 1.00 72.52 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.589 -7.442 -0.094 1.00 69.00 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.156 -8.791 0.932 1.00 61.64 1 A 1 ATOM 9 N N . SER A 1 2 ? -18.733 -2.611 -1.159 1.00 85.73 2 A 1 ATOM 10 C CA . SER A 1 2 ? -18.609 -1.236 -1.632 1.00 87.73 2 A 1 ATOM 11 C C . SER A 1 2 ? -17.449 -1.093 -2.614 1.00 89.75 2 A 1 ATOM 12 O O . SER A 1 2 ? -16.403 -1.710 -2.423 1.00 87.42 2 A 1 ATOM 13 C CB . SER A 1 2 ? -18.399 -0.301 -0.452 1.00 83.96 2 A 1 ATOM 14 O OG . SER A 1 2 ? -19.636 0.027 0.151 1.00 74.15 2 A 1 ATOM 15 N N . PRO A 1 3 ? -17.616 -0.266 -3.645 1.00 89.79 3 A 1 ATOM 16 C CA . PRO A 1 3 ? -16.563 -0.046 -4.647 1.00 91.92 3 A 1 ATOM 17 C C . PRO A 1 3 ? -15.361 0.684 -4.057 1.00 93.65 3 A 1 ATOM 18 O O . PRO A 1 3 ? -14.232 0.520 -4.515 1.00 90.93 3 A 1 ATOM 19 C CB . PRO A 1 3 ? -17.261 0.797 -5.718 1.00 88.79 3 A 1 ATOM 20 C CG . PRO A 1 3 ? -18.395 1.459 -5.004 1.00 86.02 3 A 1 ATOM 21 C CD . PRO A 1 3 ? -18.837 0.478 -3.940 1.00 89.01 3 A 1 ATOM 22 N N . PHE A 1 4 ? -15.608 1.488 -3.030 1.00 91.65 4 A 1 ATOM 23 C CA . PHE A 1 4 ? -14.535 2.230 -2.368 1.00 91.30 4 A 1 ATOM 24 C C . PHE A 1 4 ? -13.583 1.284 -1.649 1.00 93.20 4 A 1 ATOM 25 O O . PHE A 1 4 ? -12.380 1.530 -1.596 1.00 91.11 4 A 1 ATOM 26 C CB . PHE A 1 4 ? -15.143 3.210 -1.370 1.00 89.26 4 A 1 ATOM 27 C CG . PHE A 1 4 ? -15.198 4.610 -1.916 1.00 84.92 4 A 1 ATOM 28 C CD1 . PHE A 1 4 ? -14.095 5.441 -1.813 1.00 81.85 4 A 1 ATOM 29 C CD2 . PHE A 1 4 ? -16.347 5.081 -2.534 1.00 81.12 4 A 1 ATOM 30 C CE1 . PHE A 1 4 ? -14.138 6.730 -2.322 1.00 79.10 4 A 1 ATOM 31 C CE2 . PHE A 1 4 ? -16.397 6.370 -3.047 1.00 80.24 4 A 1 ATOM 32 C CZ . PHE A 1 4 ? -15.289 7.199 -2.941 1.00 79.24 4 A 1 ATOM 33 N N . SER A 1 5 ? -14.108 0.201 -1.098 1.00 92.88 5 A 1 ATOM 34 C CA . SER A 1 5 ? -13.287 -0.792 -0.403 1.00 93.56 5 A 1 ATOM 35 C C . SER A 1 5 ? -12.286 -1.430 -1.358 1.00 94.76 5 A 1 ATOM 36 O O . SER A 1 5 ? -11.157 -1.733 -0.976 1.00 92.90 5 A 1 ATOM 37 C CB . SER A 1 5 ? -14.177 -1.866 0.206 1.00 91.61 5 A 1 ATOM 38 O OG . SER A 1 5 ? -14.856 -1.353 1.333 1.00 80.10 5 A 1 ATOM 39 N N . SER A 1 6 ? -12.694 -1.630 -2.598 1.00 92.23 6 A 1 ATOM 40 C CA . SER A 1 6 ? -11.819 -2.207 -3.622 1.00 92.85 6 A 1 ATOM 41 C C . SER A 1 6 ? -10.726 -1.223 -4.019 1.00 94.24 6 A 1 ATOM 42 O O . SER A 1 6 ? -9.617 -1.625 -4.371 1.00 92.23 6 A 1 ATOM 43 C CB . SER A 1 6 ? -12.639 -2.593 -4.847 1.00 90.27 6 A 1 ATOM 44 O OG . SER A 1 6 ? -13.564 -3.609 -4.513 1.00 77.15 6 A 1 ATOM 45 N N . ALA A 1 7 ? -11.028 0.061 -3.967 1.00 93.47 7 A 1 ATOM 46 C CA . ALA A 1 7 ? -10.067 1.105 -4.327 1.00 94.31 7 A 1 ATOM 47 C C . ALA A 1 7 ? -8.989 1.267 -3.252 1.00 95.40 7 A 1 ATOM 48 O O . ALA A 1 7 ? -7.895 1.753 -3.533 1.00 94.12 7 A 1 ATOM 49 C CB . ALA A 1 7 ? -10.800 2.422 -4.533 1.00 93.03 7 A 1 ATOM 50 N N . PHE A 1 8 ? -9.301 0.860 -2.024 1.00 94.70 8 A 1 ATOM 51 C CA . PHE A 1 8 ? -8.343 0.969 -0.921 1.00 94.21 8 A 1 ATOM 52 C C . PHE A 1 8 ? -7.338 -0.179 -0.933 1.00 95.39 8 A 1 ATOM 53 O O . PHE A 1 8 ? -6.312 -0.124 -0.252 1.00 93.85 8 A 1 ATOM 54 C CB . PHE A 1 8 ? -9.102 0.981 0.403 1.00 92.63 8 A 1 ATOM 55 C CG . PHE A 1 8 ? -9.634 2.350 0.742 1.00 88.16 8 A 1 ATOM 56 C CD1 . PHE A 1 8 ? -8.764 3.401 0.975 1.00 85.31 8 A 1 ATOM 57 C CD2 . PHE A 1 8 ? -10.999 2.574 0.828 1.00 84.04 8 A 1 ATOM 58 C CE1 . PHE A 1 8 ? -9.245 4.661 1.282 1.00 82.01 8 A 1 ATOM 59 C CE2 . PHE A 1 8 ? -11.490 3.834 1.138 1.00 82.78 8 A 1 ATOM 60 C CZ . PHE A 1 8 ? -10.611 4.879 1.363 1.00 82.09 8 A 1 ATOM 61 N N . ARG A 1 9 ? -7.610 -1.203 -1.703 1.00 95.30 9 A 1 ATOM 62 C CA . ARG A 1 9 ? -6.702 -2.363 -1.796 1.00 95.72 9 A 1 ATOM 63 C C . ARG A 1 9 ? -5.337 -1.975 -2.368 1.00 96.74 9 A 1 ATOM 64 O O . ARG A 1 9 ? -4.311 -2.302 -1.769 1.00 95.81 9 A 1 ATOM 65 C CB . ARG A 1 9 ? -7.360 -3.449 -2.653 1.00 94.25 9 A 1 ATOM 66 C CG . ARG A 1 9 ? -7.613 -4.705 -1.854 1.00 87.48 9 A 1 ATOM 67 C CD . ARG A 1 9 ? -6.589 -5.771 -2.215 1.00 84.12 9 A 1 ATOM 68 N NE . ARG A 1 9 ? -6.888 -6.357 -3.522 1.00 78.88 9 A 1 ATOM 69 C CZ . ARG A 1 9 ? -6.956 -7.656 -3.762 1.00 77.83 9 A 1 ATOM 70 N NH1 . ARG A 1 9 ? -6.724 -8.529 -2.810 1.00 71.32 9 A 1 ATOM 71 N NH2 . ARG A 1 9 ? -7.272 -8.091 -4.962 1.00 72.51 9 A 1 ATOM 72 N N . PRO A 1 10 ? -5.290 -1.290 -3.506 1.00 95.21 10 A 1 ATOM 73 C CA . PRO A 1 10 ? -4.009 -0.905 -4.116 1.00 95.45 10 A 1 ATOM 74 C C . PRO A 1 10 ? -3.217 0.076 -3.260 1.00 95.91 10 A 1 ATOM 75 O O . PRO A 1 10 ? -2.010 0.226 -3.435 1.00 94.22 10 A 1 ATOM 76 C CB . PRO A 1 10 ? -4.420 -0.273 -5.449 1.00 93.94 10 A 1 ATOM 77 C CG . PRO A 1 10 ? -5.835 0.156 -5.253 1.00 92.10 10 A 1 ATOM 78 C CD . PRO A 1 10 ? -6.423 -0.869 -4.314 1.00 93.89 10 A 1 ATOM 79 N N . ARG A 1 11 ? -3.882 0.736 -2.332 1.00 96.29 11 A 1 ATOM 80 C CA . ARG A 1 11 ? -3.215 1.704 -1.455 1.00 96.15 11 A 1 ATOM 81 C C . ARG A 1 11 ? -2.123 1.024 -0.637 1.00 96.64 11 A 1 ATOM 82 O O . ARG A 1 11 ? -1.091 1.621 -0.341 1.00 95.20 11 A 1 ATOM 83 C CB . ARG A 1 11 ? -4.240 2.354 -0.531 1.00 95.26 11 A 1 ATOM 84 C CG . ARG A 1 11 ? -4.029 3.853 -0.454 1.00 89.80 11 A 1 ATOM 85 C CD . ARG A 1 11 ? -5.096 4.496 0.422 1.00 85.19 11 A 1 ATOM 86 N NE . ARG A 1 11 ? -4.596 4.705 1.789 1.00 79.93 11 A 1 ATOM 87 C CZ . ARG A 1 11 ? -5.381 4.998 2.813 1.00 77.63 11 A 1 ATOM 88 N NH1 . ARG A 1 11 ? -6.681 5.076 2.672 1.00 70.98 11 A 1 ATOM 89 N NH2 . ARG A 1 11 ? -4.859 5.203 4.013 1.00 70.26 11 A 1 ATOM 90 N N . ARG A 1 12 ? -2.336 -0.224 -0.278 1.00 95.32 12 A 1 ATOM 91 C CA . ARG A 1 12 ? -1.349 -0.986 0.491 1.00 95.44 12 A 1 ATOM 92 C C . ARG A 1 12 ? -0.043 -1.106 -0.288 1.00 96.48 12 A 1 ATOM 93 O O . ARG A 1 12 ? 1.042 -1.042 0.283 1.00 95.86 12 A 1 ATOM 94 C CB . ARG A 1 12 ? -1.910 -2.371 0.789 1.00 94.23 12 A 1 ATOM 95 C CG . ARG A 1 12 ? -0.913 -3.203 1.584 1.00 88.28 12 A 1 ATOM 96 C CD . ARG A 1 12 ? -1.439 -4.602 1.788 1.00 84.92 12 A 1 ATOM 97 N NE . ARG A 1 12 ? -0.347 -5.495 2.205 1.00 79.37 12 A 1 ATOM 98 C CZ . ARG A 1 12 ? 0.177 -6.433 1.432 1.00 76.81 12 A 1 ATOM 99 N NH1 . ARG A 1 12 ? -0.249 -6.630 0.206 1.00 70.88 12 A 1 ATOM 100 N NH2 . ARG A 1 12 ? 1.147 -7.192 1.900 1.00 70.07 12 A 1 ATOM 101 N N . ILE A 1 13 ? -0.143 -1.273 -1.586 1.00 95.44 13 A 1 ATOM 102 C CA . ILE A 1 13 ? 1.037 -1.394 -2.442 1.00 95.68 13 A 1 ATOM 103 C C . ILE A 1 13 ? 1.811 -0.079 -2.460 1.00 96.52 13 A 1 ATOM 104 O O . ILE A 1 13 ? 3.045 -0.075 -2.449 1.00 96.27 13 A 1 ATOM 105 C CB . ILE A 1 13 ? 0.618 -1.790 -3.863 1.00 95.42 13 A 1 ATOM 106 C CG1 . ILE A 1 13 ? -0.128 -3.129 -3.841 1.00 92.55 13 A 1 ATOM 107 C CG2 . ILE A 1 13 ? 1.852 -1.889 -4.769 1.00 91.94 13 A 1 ATOM 108 C CD1 . ILE A 1 13 ? -0.881 -3.401 -5.131 1.00 86.92 13 A 1 ATOM 109 N N . ALA A 1 14 ? 1.090 1.025 -2.484 1.00 97.20 14 A 1 ATOM 110 C CA . ALA A 1 14 ? 1.723 2.344 -2.499 1.00 97.27 14 A 1 ATOM 111 C C . ALA A 1 14 ? 2.510 2.585 -1.211 1.00 97.53 14 A 1 ATOM 112 O O . ALA A 1 14 ? 3.624 3.103 -1.238 1.00 97.09 14 A 1 ATOM 113 C CB . ALA A 1 14 ? 0.657 3.417 -2.677 1.00 96.93 14 A 1 ATOM 114 N N . ILE A 1 15 ? 1.929 2.195 -0.087 1.00 96.84 15 A 1 ATOM 115 C CA . ILE A 1 15 ? 2.588 2.360 1.211 1.00 96.64 15 A 1 ATOM 116 C C . ILE A 1 15 ? 3.824 1.467 1.286 1.00 97.09 15 A 1 ATOM 117 O O . ILE A 1 15 ? 4.877 1.880 1.776 1.00 96.76 15 A 1 ATOM 118 C CB . ILE A 1 15 ? 1.608 2.021 2.345 1.00 96.23 15 A 1 ATOM 119 C CG1 . ILE A 1 15 ? 0.416 2.989 2.326 1.00 93.88 15 A 1 ATOM 120 C CG2 . ILE A 1 15 ? 2.322 2.107 3.698 1.00 93.55 15 A 1 ATOM 121 C CD1 . ILE A 1 15 ? -0.793 2.419 3.053 1.00 89.43 15 A 1 ATOM 122 N N . SER A 1 16 ? 3.700 0.248 0.803 1.00 97.04 16 A 1 ATOM 123 C CA . SER A 1 16 ? 4.818 -0.697 0.812 1.00 96.89 16 A 1 ATOM 124 C C . SER A 1 16 ? 5.942 -0.210 -0.095 1.00 97.41 16 A 1 ATOM 125 O O . SER A 1 16 ? 7.123 -0.336 0.237 1.00 97.19 16 A 1 ATOM 126 C CB . SER A 1 16 ? 4.332 -2.067 0.353 1.00 96.00 16 A 1 ATOM 127 O OG . SER A 1 16 ? 4.904 -3.081 1.136 1.00 85.93 16 A 1 ATOM 128 N N . ALA A 1 17 ? 5.577 0.349 -1.237 1.00 97.76 17 A 1 ATOM 129 C CA . ALA A 1 17 ? 6.562 0.867 -2.189 1.00 97.79 17 A 1 ATOM 130 C C . ALA A 1 17 ? 7.329 2.045 -1.592 1.00 98.09 17 A 1 ATOM 131 O O . ALA A 1 17 ? 8.537 2.169 -1.789 1.00 97.75 17 A 1 ATOM 132 C CB . ALA A 1 17 ? 5.856 1.292 -3.469 1.00 97.41 17 A 1 ATOM 133 N N . LEU A 1 18 ? 6.620 2.895 -0.865 1.00 97.62 18 A 1 ATOM 134 C CA . LEU A 1 18 ? 7.253 4.048 -0.225 1.00 97.53 18 A 1 ATOM 135 C C . LEU A 1 18 ? 8.262 3.597 0.823 1.00 98.06 18 A 1 ATOM 136 O O . LEU A 1 18 ? 9.381 4.112 0.885 1.00 97.91 18 A 1 ATOM 137 C CB . LEU A 1 18 ? 6.174 4.921 0.418 1.00 97.04 18 A 1 ATOM 138 C CG . LEU A 1 18 ? 5.763 6.102 -0.455 1.00 92.10 18 A 1 ATOM 139 C CD1 . LEU A 1 18 ? 4.382 6.606 -0.061 1.00 89.74 18 A 1 ATOM 140 C CD2 . LEU A 1 18 ? 6.785 7.222 -0.321 1.00 90.58 18 A 1 ATOM 141 N N . LEU A 1 19 ? 7.867 2.632 1.635 1.00 98.02 19 A 1 ATOM 142 C CA . LEU A 1 19 ? 8.758 2.106 2.672 1.00 97.97 19 A 1 ATOM 143 C C . LEU A 1 19 ? 9.967 1.423 2.044 1.00 98.26 19 A 1 ATOM 144 O O . LEU A 1 19 ? 11.088 1.539 2.547 1.00 98.18 19 A 1 ATOM 145 C CB . LEU A 1 19 ? 7.985 1.112 3.538 1.00 97.61 19 A 1 ATOM 146 C CG . LEU A 1 19 ? 7.047 1.789 4.537 1.00 95.08 19 A 1 ATOM 147 C CD1 . LEU A 1 19 ? 6.024 0.788 5.062 1.00 92.85 19 A 1 ATOM 148 C CD2 . LEU A 1 19 ? 7.855 2.358 5.702 1.00 93.03 19 A 1 ATOM 149 N N . LEU A 1 20 ? 9.740 0.724 0.951 1.00 98.22 20 A 1 ATOM 150 C CA . LEU A 1 20 ? 10.822 0.029 0.256 1.00 98.07 20 A 1 ATOM 151 C C . LEU A 1 20 ? 11.805 1.031 -0.334 1.00 98.35 20 A 1 ATOM 152 O O . LEU A 1 20 ? 13.019 0.819 -0.295 1.00 98.05 20 A 1 ATOM 153 C CB . LEU A 1 20 ? 10.233 -0.859 -0.839 1.00 97.48 20 A 1 ATOM 154 C CG . LEU A 1 20 ? 11.152 -2.014 -1.231 1.00 91.84 20 A 1 ATOM 155 C CD1 . LEU A 1 20 ? 10.325 -3.269 -1.503 1.00 89.16 20 A 1 ATOM 156 C CD2 . LEU A 1 20 ? 11.969 -1.665 -2.455 1.00 89.01 20 A 1 ATOM 157 N N . ALA A 1 21 ? 11.282 2.126 -0.873 1.00 98.72 21 A 1 ATOM 158 C CA . ALA A 1 21 ? 12.129 3.165 -1.459 1.00 98.69 21 A 1 ATOM 159 C C . ALA A 1 21 ? 13.024 3.800 -0.397 1.00 98.75 21 A 1 ATOM 160 O O . ALA A 1 21 ? 14.198 4.074 -0.642 1.00 98.50 21 A 1 ATOM 161 C CB . ALA A 1 21 ? 11.255 4.220 -2.122 1.00 98.47 21 A 1 ATOM 162 N N . ILE A 1 22 ? 12.464 4.023 0.783 1.00 98.60 22 A 1 ATOM 163 C CA . ILE A 1 22 ? 13.227 4.619 1.884 1.00 98.39 22 A 1 ATOM 164 C C . ILE A 1 22 ? 14.263 3.627 2.407 1.00 98.50 22 A 1 ATOM 165 O O . ILE A 1 22 ? 15.403 3.995 2.699 1.00 98.25 22 A 1 ATOM 166 C CB . ILE A 1 22 ? 12.272 5.045 3.014 1.00 97.94 22 A 1 ATOM 167 C CG1 . ILE A 1 22 ? 11.303 6.125 2.513 1.00 95.82 22 A 1 ATOM 168 C CG2 . ILE A 1 22 ? 13.074 5.586 4.203 1.00 95.18 22 A 1 ATOM 169 C CD1 . ILE A 1 22 ? 10.049 6.218 3.372 1.00 93.54 22 A 1 ATOM 170 N N . GLY A 1 23 ? 13.866 2.377 2.526 1.00 98.55 23 A 1 ATOM 171 C CA . GLY A 1 23 ? 14.774 1.342 3.020 1.00 98.42 23 A 1 ATOM 172 C C . GLY A 1 23 ? 15.827 0.955 1.997 1.00 98.55 23 A 1 ATOM 173 O O . GLY A 1 23 ? 16.923 0.529 2.356 1.00 98.24 23 A 1 ATOM 174 N N . ALA A 1 24 ? 15.507 1.096 0.722 1.00 98.43 24 A 1 ATOM 175 C CA . ALA A 1 24 ? 16.439 0.753 -0.355 1.00 98.34 24 A 1 ATOM 176 C C . ALA A 1 24 ? 17.638 1.696 -0.367 1.00 98.42 24 A 1 ATOM 177 O O . ALA A 1 24 ? 18.738 1.309 -0.762 1.00 97.59 24 A 1 ATOM 178 C CB . ALA A 1 24 ? 15.716 0.798 -1.695 1.00 97.91 24 A 1 ATOM 179 N N . LEU A 1 25 ? 17.425 2.936 0.066 1.00 97.92 25 A 1 ATOM 180 C CA . LEU A 1 25 ? 18.491 3.935 0.106 1.00 97.58 25 A 1 ATOM 181 C C . LEU A 1 25 ? 19.139 4.008 1.490 1.00 97.54 25 A 1 ATOM 182 O O . LEU A 1 25 ? 19.854 4.963 1.802 1.00 95.94 25 A 1 ATOM 183 C CB . LEU A 1 25 ? 17.922 5.305 -0.294 1.00 96.52 25 A 1 ATOM 184 C CG . LEU A 1 25 ? 17.982 5.611 -1.796 1.00 93.03 25 A 1 ATOM 185 C CD1 . LEU A 1 25 ? 19.427 5.728 -2.243 1.00 88.49 25 A 1 ATOM 186 C CD2 . LEU A 1 25 ? 17.266 4.548 -2.599 1.00 86.29 25 A 1 ATOM 187 N N . ALA A 1 26 ? 18.907 2.999 2.309 1.00 96.52 26 A 1 ATOM 188 C CA . ALA A 1 26 ? 19.449 2.975 3.663 1.00 95.58 26 A 1 ATOM 189 C C . ALA A 1 26 ? 20.412 1.808 3.844 1.00 93.89 26 A 1 ATOM 190 O O . ALA A 1 26 ? 20.156 0.726 3.296 1.00 90.10 26 A 1 ATOM 191 C CB . ALA A 1 26 ? 18.313 2.907 4.674 1.00 92.72 26 A 1 ATOM 192 O OXT . ALA A 1 26 ? 21.421 1.975 4.539 1.00 83.98 26 A 1 #