# 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_spkb32252 # _entry.id spkb32252 # 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 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)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" "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" "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 GLU 2 1 n ALA 3 1 n SER 4 1 n SER 5 1 n ARG 6 1 n LEU 7 1 n VAL 8 1 n VAL 9 1 n GLN 10 1 n VAL 11 1 n LEU 12 1 n VAL 13 1 n LEU 14 1 n MET 15 1 n LEU 16 1 n VAL 17 1 n VAL 18 1 n GLN 19 1 n VAL 20 1 n ALA 21 1 n LEU 22 1 n SER 23 # _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 @ 2025-07-12 10:17:05)" _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 93.50 _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 85.61 1 1 A GLU 2 2 80.70 1 2 A ALA 3 2 93.27 1 3 A SER 4 2 91.64 1 4 A SER 5 2 93.60 1 5 A ARG 6 2 86.03 1 6 A LEU 7 2 93.91 1 7 A VAL 8 2 96.92 1 8 A VAL 9 2 96.96 1 9 A GLN 10 2 93.09 1 10 A VAL 11 2 97.48 1 11 A LEU 12 2 95.08 1 12 A VAL 13 2 97.82 1 13 A LEU 14 2 95.80 1 14 A MET 15 2 93.82 1 15 A LEU 16 2 95.77 1 16 A VAL 17 2 98.14 1 17 A VAL 18 2 97.98 1 18 A GLN 19 2 93.28 1 19 A VAL 20 2 97.89 1 20 A ALA 21 2 98.27 1 21 A LEU 22 2 95.81 1 22 A SER 23 2 90.70 1 23 # _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 ALA . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n GLN . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n MET . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n GLN . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n SER . 23 A 23 # _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 ? -5.916 16.841 9.551 1.00 91.28 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.450 16.240 8.288 1.00 92.74 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.433 14.712 8.371 1.00 93.02 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.447 14.073 8.011 1.00 90.03 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.055 16.759 7.943 1.00 89.88 1 A 1 ATOM 6 C CG . MET A 1 1 ? -3.021 16.480 9.020 1.00 83.69 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.396 17.163 8.614 1.00 76.79 1 A 1 ATOM 8 C CE . MET A 1 1 ? -1.622 18.851 9.093 1.00 67.48 1 A 1 ATOM 9 N N . GLU A 1 2 ? -6.527 14.137 8.865 1.00 90.01 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -6.617 12.688 9.025 1.00 92.05 2 A 1 ATOM 11 C C . GLU A 1 2 ? -6.692 11.985 7.675 1.00 93.16 2 A 1 ATOM 12 O O . GLU A 1 2 ? -6.048 10.955 7.465 1.00 90.61 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -7.844 12.324 9.866 1.00 86.49 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -7.701 12.669 11.342 1.00 73.11 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -8.051 14.115 11.618 1.00 69.90 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -8.122 14.907 10.666 1.00 63.99 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -8.258 14.451 12.791 1.00 67.02 2 A 1 ATOM 18 N N . ALA A 1 3 ? -7.500 12.538 6.746 1.00 92.52 3 A 1 ATOM 19 C CA . ALA A 1 3 ? -7.663 11.942 5.423 1.00 94.26 3 A 1 ATOM 20 C C . ALA A 1 3 ? -6.335 11.875 4.677 1.00 95.04 3 A 1 ATOM 21 O O . ALA A 1 3 ? -5.983 10.841 4.104 1.00 93.01 3 A 1 ATOM 22 C CB . ALA A 1 3 ? -8.683 12.736 4.616 1.00 91.54 3 A 1 ATOM 23 N N . SER A 1 4 ? -5.604 12.980 4.683 1.00 94.08 4 A 1 ATOM 24 C CA . SER A 1 4 ? -4.311 13.041 4.006 1.00 95.39 4 A 1 ATOM 25 C C . SER A 1 4 ? -3.334 12.044 4.618 1.00 95.68 4 A 1 ATOM 26 O O . SER A 1 4 ? -2.623 11.335 3.904 1.00 93.88 4 A 1 ATOM 27 C CB . SER A 1 4 ? -3.730 14.448 4.082 1.00 92.44 4 A 1 ATOM 28 O OG . SER A 1 4 ? -4.566 15.371 3.409 1.00 78.35 4 A 1 ATOM 29 N N . SER A 1 5 ? -3.310 11.979 5.944 1.00 95.33 5 A 1 ATOM 30 C CA . SER A 1 5 ? -2.436 11.051 6.657 1.00 96.51 5 A 1 ATOM 31 C C . SER A 1 5 ? -2.781 9.610 6.299 1.00 97.14 5 A 1 ATOM 32 O O . SER A 1 5 ? -1.893 8.785 6.069 1.00 96.14 5 A 1 ATOM 33 C CB . SER A 1 5 ? -2.560 11.257 8.163 1.00 94.21 5 A 1 ATOM 34 O OG . SER A 1 5 ? -1.661 10.411 8.848 1.00 82.25 5 A 1 ATOM 35 N N . ARG A 1 6 ? -4.077 9.307 6.244 1.00 96.98 6 A 1 ATOM 36 C CA . ARG A 1 6 ? -4.543 7.969 5.889 1.00 97.55 6 A 1 ATOM 37 C C . ARG A 1 6 ? -4.069 7.586 4.493 1.00 98.01 6 A 1 ATOM 38 O O . ARG A 1 6 ? -3.614 6.467 4.271 1.00 97.52 6 A 1 ATOM 39 C CB . ARG A 1 6 ? -6.070 7.900 5.947 1.00 96.62 6 A 1 ATOM 40 C CG . ARG A 1 6 ? -6.584 7.230 7.215 1.00 88.32 6 A 1 ATOM 41 C CD . ARG A 1 6 ? -6.405 5.729 7.156 1.00 84.99 6 A 1 ATOM 42 N NE . ARG A 1 6 ? -7.029 5.054 8.300 1.00 78.29 6 A 1 ATOM 43 C CZ . ARG A 1 6 ? -8.307 4.706 8.343 1.00 74.23 6 A 1 ATOM 44 N NH1 . ARG A 1 6 ? -9.116 4.961 7.324 1.00 67.67 6 A 1 ATOM 45 N NH2 . ARG A 1 6 ? -8.785 4.090 9.417 1.00 66.13 6 A 1 ATOM 46 N N . LEU A 1 7 ? -4.182 8.519 3.548 1.00 97.09 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -3.753 8.264 2.178 1.00 97.58 7 A 1 ATOM 48 C C . LEU A 1 7 ? -2.269 7.908 2.129 1.00 97.93 7 A 1 ATOM 49 O O . LEU A 1 7 ? -1.870 6.983 1.421 1.00 97.64 7 A 1 ATOM 50 C CB . LEU A 1 7 ? -4.022 9.489 1.302 1.00 97.31 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -5.504 9.731 1.016 1.00 90.85 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? -5.709 11.097 0.388 1.00 86.27 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? -6.051 8.643 0.092 1.00 86.57 7 A 1 ATOM 54 N N . VAL A 1 8 ? -1.458 8.640 2.875 1.00 97.81 8 A 1 ATOM 55 C CA . VAL A 1 8 ? -0.021 8.382 2.920 1.00 98.04 8 A 1 ATOM 56 C C . VAL A 1 8 ? 0.253 6.985 3.462 1.00 98.20 8 A 1 ATOM 57 O O . VAL A 1 8 ? 1.068 6.241 2.909 1.00 97.90 8 A 1 ATOM 58 C CB . VAL A 1 8 ? 0.703 9.427 3.783 1.00 97.51 8 A 1 ATOM 59 C CG1 . VAL A 1 8 ? 2.178 9.075 3.924 1.00 94.60 8 A 1 ATOM 60 C CG2 . VAL A 1 8 ? 0.545 10.809 3.170 1.00 94.38 8 A 1 ATOM 61 N N . VAL A 1 9 ? -0.431 6.624 4.539 1.00 98.08 9 A 1 ATOM 62 C CA . VAL A 1 9 ? -0.262 5.305 5.144 1.00 98.15 9 A 1 ATOM 63 C C . VAL A 1 9 ? -0.691 4.216 4.167 1.00 98.24 9 A 1 ATOM 64 O O . VAL A 1 9 ? -0.024 3.184 4.043 1.00 97.95 9 A 1 ATOM 65 C CB . VAL A 1 9 ? -1.066 5.185 6.450 1.00 97.63 9 A 1 ATOM 66 C CG1 . VAL A 1 9 ? -0.986 3.763 6.998 1.00 94.48 9 A 1 ATOM 67 C CG2 . VAL A 1 9 ? -0.546 6.173 7.481 1.00 94.19 9 A 1 ATOM 68 N N . GLN A 1 10 ? -1.808 4.447 3.473 1.00 98.06 10 A 1 ATOM 69 C CA . GLN A 1 10 ? -2.318 3.477 2.505 1.00 98.09 10 A 1 ATOM 70 C C . GLN A 1 10 ? -1.297 3.234 1.401 1.00 98.30 10 A 1 ATOM 71 O O . GLN A 1 10 ? -1.060 2.093 1.001 1.00 97.91 10 A 1 ATOM 72 C CB . GLN A 1 10 ? -3.636 3.973 1.904 1.00 97.72 10 A 1 ATOM 73 C CG . GLN A 1 10 ? -4.785 3.936 2.894 1.00 91.48 10 A 1 ATOM 74 C CD . GLN A 1 10 ? -5.169 2.509 3.248 1.00 89.00 10 A 1 ATOM 75 O OE1 . GLN A 1 10 ? -4.717 1.961 4.243 1.00 85.10 10 A 1 ATOM 76 N NE2 . GLN A 1 10 ? -5.982 1.895 2.419 1.00 82.19 10 A 1 ATOM 77 N N . VAL A 1 11 ? -0.684 4.301 0.908 1.00 98.20 11 A 1 ATOM 78 C CA . VAL A 1 11 ? 0.326 4.186 -0.142 1.00 98.30 11 A 1 ATOM 79 C C . VAL A 1 11 ? 1.527 3.393 0.356 1.00 98.43 11 A 1 ATOM 80 O O . VAL A 1 11 ? 2.043 2.522 -0.351 1.00 98.02 11 A 1 ATOM 81 C CB . VAL A 1 11 ? 0.780 5.573 -0.626 1.00 97.97 11 A 1 ATOM 82 C CG1 . VAL A 1 11 ? 1.940 5.446 -1.608 1.00 95.74 11 A 1 ATOM 83 C CG2 . VAL A 1 11 ? -0.387 6.301 -1.280 1.00 95.69 11 A 1 ATOM 84 N N . LEU A 1 12 ? 1.975 3.693 1.559 1.00 98.16 12 A 1 ATOM 85 C CA . LEU A 1 12 ? 3.123 3.001 2.138 1.00 98.06 12 A 1 ATOM 86 C C . LEU A 1 12 ? 2.835 1.514 2.314 1.00 98.25 12 A 1 ATOM 87 O O . LEU A 1 12 ? 3.671 0.672 1.977 1.00 97.99 12 A 1 ATOM 88 C CB . LEU A 1 12 ? 3.479 3.623 3.492 1.00 97.72 12 A 1 ATOM 89 C CG . LEU A 1 12 ? 4.126 4.998 3.391 1.00 91.04 12 A 1 ATOM 90 C CD1 . LEU A 1 12 ? 4.192 5.655 4.762 1.00 89.35 12 A 1 ATOM 91 C CD2 . LEU A 1 12 ? 5.528 4.884 2.801 1.00 90.10 12 A 1 ATOM 92 N N . VAL A 1 13 ? 1.652 1.195 2.839 1.00 98.39 13 A 1 ATOM 93 C CA . VAL A 1 13 ? 1.260 -0.197 3.052 1.00 98.42 13 A 1 ATOM 94 C C . VAL A 1 13 ? 1.161 -0.925 1.719 1.00 98.53 13 A 1 ATOM 95 O O . VAL A 1 13 ? 1.655 -2.048 1.576 1.00 98.21 13 A 1 ATOM 96 C CB . VAL A 1 13 ? -0.083 -0.284 3.798 1.00 98.07 13 A 1 ATOM 97 C CG1 . VAL A 1 13 ? -0.566 -1.732 3.867 1.00 96.60 13 A 1 ATOM 98 C CG2 . VAL A 1 13 ? 0.056 0.284 5.203 1.00 96.53 13 A 1 ATOM 99 N N . LEU A 1 14 ? 0.519 -0.290 0.745 1.00 98.29 14 A 1 ATOM 100 C CA . LEU A 1 14 ? 0.357 -0.891 -0.576 1.00 98.25 14 A 1 ATOM 101 C C . LEU A 1 14 ? 1.719 -1.152 -1.210 1.00 98.41 14 A 1 ATOM 102 O O . LEU A 1 14 ? 1.955 -2.219 -1.779 1.00 98.15 14 A 1 ATOM 103 C CB . LEU A 1 14 ? -0.469 0.031 -1.477 1.00 97.91 14 A 1 ATOM 104 C CG . LEU A 1 14 ? -0.912 -0.618 -2.791 1.00 91.86 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? -1.916 -1.736 -2.529 1.00 91.32 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? -1.525 0.429 -3.711 1.00 92.19 14 A 1 ATOM 107 N N . MET A 1 15 ? 2.609 -0.183 -1.119 1.00 98.04 15 A 1 ATOM 108 C CA . MET A 1 15 ? 3.959 -0.316 -1.662 1.00 98.02 15 A 1 ATOM 109 C C . MET A 1 15 ? 4.692 -1.471 -0.996 1.00 98.22 15 A 1 ATOM 110 O O . MET A 1 15 ? 5.353 -2.261 -1.668 1.00 97.75 15 A 1 ATOM 111 C CB . MET A 1 15 ? 4.741 0.985 -1.456 1.00 97.72 15 A 1 ATOM 112 C CG . MET A 1 15 ? 4.347 2.052 -2.473 1.00 95.04 15 A 1 ATOM 113 S SD . MET A 1 15 ? 5.088 1.741 -4.076 1.00 88.11 15 A 1 ATOM 114 C CE . MET A 1 15 ? 3.907 2.554 -5.144 1.00 77.63 15 A 1 ATOM 115 N N . LEU A 1 16 ? 4.573 -1.577 0.312 1.00 98.34 16 A 1 ATOM 116 C CA . LEU A 1 16 ? 5.217 -2.654 1.061 1.00 98.31 16 A 1 ATOM 117 C C . LEU A 1 16 ? 4.733 -4.013 0.567 1.00 98.53 16 A 1 ATOM 118 O O . LEU A 1 16 ? 5.538 -4.919 0.337 1.00 98.31 16 A 1 ATOM 119 C CB . LEU A 1 16 ? 4.912 -2.509 2.554 1.00 97.98 16 A 1 ATOM 120 C CG . LEU A 1 16 ? 5.675 -3.498 3.441 1.00 92.01 16 A 1 ATOM 121 C CD1 . LEU A 1 16 ? 7.154 -3.144 3.497 1.00 91.02 16 A 1 ATOM 122 C CD2 . LEU A 1 16 ? 5.093 -3.510 4.849 1.00 91.65 16 A 1 ATOM 123 N N . VAL A 1 17 ? 3.417 -4.156 0.405 1.00 98.61 17 A 1 ATOM 124 C CA . VAL A 1 17 ? 2.829 -5.408 -0.065 1.00 98.59 17 A 1 ATOM 125 C C . VAL A 1 17 ? 3.326 -5.728 -1.471 1.00 98.68 17 A 1 ATOM 126 O O . VAL A 1 17 ? 3.661 -6.879 -1.773 1.00 98.43 17 A 1 ATOM 127 C CB . VAL A 1 17 ? 1.289 -5.337 -0.060 1.00 98.28 17 A 1 ATOM 128 C CG1 . VAL A 1 17 ? 0.685 -6.602 -0.668 1.00 97.19 17 A 1 ATOM 129 C CG2 . VAL A 1 17 ? 0.769 -5.146 1.360 1.00 97.19 17 A 1 ATOM 130 N N . VAL A 1 18 ? 3.372 -4.719 -2.329 1.00 98.59 18 A 1 ATOM 131 C CA . VAL A 1 18 ? 3.832 -4.909 -3.703 1.00 98.58 18 A 1 ATOM 132 C C . VAL A 1 18 ? 5.289 -5.362 -3.723 1.00 98.63 18 A 1 ATOM 133 O O . VAL A 1 18 ? 5.651 -6.267 -4.482 1.00 98.30 18 A 1 ATOM 134 C CB . VAL A 1 18 ? 3.669 -3.619 -4.526 1.00 98.29 18 A 1 ATOM 135 C CG1 . VAL A 1 18 ? 4.300 -3.774 -5.908 1.00 96.77 18 A 1 ATOM 136 C CG2 . VAL A 1 18 ? 2.190 -3.272 -4.671 1.00 96.71 18 A 1 ATOM 137 N N . GLN A 1 19 ? 6.135 -4.752 -2.898 1.00 98.46 19 A 1 ATOM 138 C CA . GLN A 1 19 ? 7.549 -5.120 -2.837 1.00 98.46 19 A 1 ATOM 139 C C . GLN A 1 19 ? 7.700 -6.579 -2.418 1.00 98.56 19 A 1 ATOM 140 O O . GLN A 1 19 ? 8.476 -7.325 -3.014 1.00 98.15 19 A 1 ATOM 141 C CB . GLN A 1 19 ? 8.311 -4.233 -1.842 1.00 98.17 19 A 1 ATOM 142 C CG . GLN A 1 19 ? 8.134 -2.731 -2.064 1.00 92.94 19 A 1 ATOM 143 C CD . GLN A 1 19 ? 8.220 -2.356 -3.537 1.00 89.85 19 A 1 ATOM 144 O OE1 . GLN A 1 19 ? 9.089 -2.833 -4.254 1.00 84.04 19 A 1 ATOM 145 N NE2 . GLN A 1 19 ? 7.316 -1.513 -3.984 1.00 80.86 19 A 1 ATOM 146 N N . VAL A 1 20 ? 6.961 -6.981 -1.392 1.00 98.62 20 A 1 ATOM 147 C CA . VAL A 1 20 ? 7.016 -8.359 -0.899 1.00 98.52 20 A 1 ATOM 148 C C . VAL A 1 20 ? 6.504 -9.328 -1.956 1.00 98.58 20 A 1 ATOM 149 O O . VAL A 1 20 ? 7.082 -10.403 -2.155 1.00 98.18 20 A 1 ATOM 150 C CB . VAL A 1 20 ? 6.191 -8.519 0.391 1.00 98.13 20 A 1 ATOM 151 C CG1 . VAL A 1 20 ? 6.174 -9.979 0.836 1.00 96.49 20 A 1 ATOM 152 C CG2 . VAL A 1 20 ? 6.757 -7.640 1.494 1.00 96.71 20 A 1 ATOM 153 N N . ALA A 1 21 ? 5.412 -8.958 -2.626 1.00 98.50 21 A 1 ATOM 154 C CA . ALA A 1 21 ? 4.815 -9.812 -3.649 1.00 98.43 21 A 1 ATOM 155 C C . ALA A 1 21 ? 5.753 -9.980 -4.843 1.00 98.44 21 A 1 ATOM 156 O O . ALA A 1 21 ? 5.872 -11.073 -5.399 1.00 97.88 21 A 1 ATOM 157 C CB . ALA A 1 21 ? 3.481 -9.227 -4.110 1.00 98.12 21 A 1 ATOM 158 N N . LEU A 1 22 ? 6.407 -8.899 -5.245 1.00 98.29 22 A 1 ATOM 159 C CA . LEU A 1 22 ? 7.325 -8.932 -6.378 1.00 98.09 22 A 1 ATOM 160 C C . LEU A 1 22 ? 8.570 -9.746 -6.057 1.00 97.89 22 A 1 ATOM 161 O O . LEU A 1 22 ? 9.052 -10.513 -6.896 1.00 96.73 22 A 1 ATOM 162 C CB . LEU A 1 22 ? 7.722 -7.508 -6.774 1.00 97.49 22 A 1 ATOM 163 C CG . LEU A 1 22 ? 6.622 -6.735 -7.508 1.00 95.26 22 A 1 ATOM 164 C CD1 . LEU A 1 22 ? 6.995 -5.262 -7.623 1.00 92.08 22 A 1 ATOM 165 C CD2 . LEU A 1 22 ? 6.385 -7.323 -8.890 1.00 90.67 22 A 1 ATOM 166 N N . SER A 1 23 ? 9.081 -9.574 -4.860 1.00 97.06 23 A 1 ATOM 167 C CA . SER A 1 23 ? 10.282 -10.276 -4.420 1.00 96.10 23 A 1 ATOM 168 C C . SER A 1 23 ? 10.002 -11.769 -4.238 1.00 93.54 23 A 1 ATOM 169 O O . SER A 1 23 ? 10.398 -12.561 -5.112 1.00 87.24 23 A 1 ATOM 170 C CB . SER A 1 23 ? 10.802 -9.678 -3.115 1.00 93.12 23 A 1 ATOM 171 O OG . SER A 1 23 ? 12.016 -10.305 -2.751 1.00 84.33 23 A 1 ATOM 172 O OXT . SER A 1 23 ? 9.394 -12.117 -3.245 1.00 83.51 23 A 1 #