# 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_spkb35441 # _entry.id spkb35441 # 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 "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 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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 SER 2 1 n SER 3 1 n GLY 4 1 n GLY 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n GLY 11 1 n PRO 12 1 n LEU 13 1 n THR 14 1 n LEU 15 1 n TRP 16 1 n GLU 17 1 n VAL 18 1 n LEU 19 1 n THR 20 1 n PRO 21 1 n VAL 22 1 n SER 23 1 n SER 24 # _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 @ 2025-07-13 11:30:42)" _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 82.13 _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 65.38 1 1 A SER 2 2 67.74 1 2 A SER 3 2 75.17 1 3 A GLY 4 2 80.50 1 4 A GLY 5 2 84.40 1 5 A LEU 6 2 83.03 1 6 A LEU 7 2 84.74 1 7 A LEU 8 2 86.34 1 8 A LEU 9 2 85.73 1 9 A LEU 10 2 85.83 1 10 A GLY 11 2 88.46 1 11 A PRO 12 2 89.89 1 12 A LEU 13 2 85.84 1 13 A THR 14 2 85.69 1 14 A LEU 15 2 85.66 1 15 A TRP 16 2 84.70 1 16 A GLU 17 2 82.69 1 17 A VAL 18 2 87.54 1 18 A LEU 19 2 87.17 1 19 A THR 20 2 84.92 1 20 A PRO 21 2 85.29 1 21 A VAL 22 2 77.24 1 22 A SER 23 2 73.41 1 23 A SER 24 2 68.16 1 24 # _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 SER . 3 A 3 A 4 1 n GLY . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n PRO . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n TRP . 16 A 16 A 17 1 n GLU . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n SER . 24 A 24 # _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 ? -16.530 13.330 8.773 1.00 70.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.963 12.006 8.447 1.00 72.01 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.604 11.930 6.968 1.00 71.36 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.489 11.892 6.121 1.00 64.43 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.970 10.903 8.777 1.00 66.95 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.182 10.759 10.273 1.00 63.89 1 A 1 ATOM 7 S SD . MET A 1 1 ? -18.386 9.483 10.656 1.00 59.80 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.276 9.488 12.441 1.00 53.98 1 A 1 ATOM 9 N N . SER A 1 2 ? -14.316 11.916 6.671 1.00 68.54 2 A 1 ATOM 10 C CA . SER A 1 2 ? -13.849 11.842 5.288 1.00 71.35 2 A 1 ATOM 11 C C . SER A 1 2 ? -12.485 11.151 5.231 1.00 72.52 2 A 1 ATOM 12 O O . SER A 1 2 ? -11.443 11.804 5.270 1.00 67.36 2 A 1 ATOM 13 C CB . SER A 1 2 ? -13.754 13.240 4.687 1.00 66.54 2 A 1 ATOM 14 O OG . SER A 1 2 ? -13.448 13.170 3.313 1.00 60.12 2 A 1 ATOM 15 N N . SER A 1 3 ? -12.489 9.829 5.142 1.00 74.64 3 A 1 ATOM 16 C CA . SER A 1 3 ? -11.255 9.036 5.085 1.00 79.12 3 A 1 ATOM 17 C C . SER A 1 3 ? -11.281 8.075 3.901 1.00 80.70 3 A 1 ATOM 18 O O . SER A 1 3 ? -10.811 6.943 3.993 1.00 75.81 3 A 1 ATOM 19 C CB . SER A 1 3 ? -11.066 8.266 6.390 1.00 74.07 3 A 1 ATOM 20 O OG . SER A 1 3 ? -12.154 7.406 6.631 1.00 66.70 3 A 1 ATOM 21 N N . GLY A 1 4 ? -11.829 8.534 2.791 1.00 79.18 4 A 1 ATOM 22 C CA . GLY A 1 4 ? -11.935 7.697 1.597 1.00 80.93 4 A 1 ATOM 23 C C . GLY A 1 4 ? -10.623 7.540 0.856 1.00 83.11 4 A 1 ATOM 24 O O . GLY A 1 4 ? -10.534 6.752 -0.084 1.00 78.76 4 A 1 ATOM 25 N N . GLY A 1 5 ? -9.601 8.274 1.264 1.00 82.38 5 A 1 ATOM 26 C CA . GLY A 1 5 ? -8.296 8.196 0.608 1.00 84.88 5 A 1 ATOM 27 C C . GLY A 1 5 ? -7.142 8.165 1.592 1.00 86.83 5 A 1 ATOM 28 O O . GLY A 1 5 ? -6.069 8.685 1.304 1.00 83.52 5 A 1 ATOM 29 N N . LEU A 1 6 ? -7.353 7.580 2.751 1.00 85.43 6 A 1 ATOM 30 C CA . LEU A 1 6 ? -6.319 7.496 3.784 1.00 87.48 6 A 1 ATOM 31 C C . LEU A 1 6 ? -6.247 6.096 4.386 1.00 89.14 6 A 1 ATOM 32 O O . LEU A 1 6 ? -5.185 5.480 4.416 1.00 87.32 6 A 1 ATOM 33 C CB . LEU A 1 6 ? -6.593 8.527 4.880 1.00 85.18 6 A 1 ATOM 34 C CG . LEU A 1 6 ? -5.470 8.629 5.908 1.00 79.74 6 A 1 ATOM 35 C CD1 . LEU A 1 6 ? -4.233 9.257 5.284 1.00 76.23 6 A 1 ATOM 36 C CD2 . LEU A 1 6 ? -5.930 9.453 7.101 1.00 73.74 6 A 1 ATOM 37 N N . LEU A 1 7 ? -7.370 5.602 4.859 1.00 87.40 7 A 1 ATOM 38 C CA . LEU A 1 7 ? -7.425 4.268 5.456 1.00 88.35 7 A 1 ATOM 39 C C . LEU A 1 7 ? -7.188 3.180 4.416 1.00 89.31 7 A 1 ATOM 40 O O . LEU A 1 7 ? -6.573 2.157 4.706 1.00 87.66 7 A 1 ATOM 41 C CB . LEU A 1 7 ? -8.782 4.057 6.126 1.00 86.59 7 A 1 ATOM 42 C CG . LEU A 1 7 ? -8.968 4.873 7.405 1.00 82.55 7 A 1 ATOM 43 C CD1 . LEU A 1 7 ? -10.429 4.880 7.816 1.00 79.34 7 A 1 ATOM 44 C CD2 . LEU A 1 7 ? -8.118 4.297 8.527 1.00 76.69 7 A 1 ATOM 45 N N . LEU A 1 8 ? -7.661 3.411 3.195 1.00 89.45 8 A 1 ATOM 46 C CA . LEU A 1 8 ? -7.485 2.449 2.108 1.00 89.98 8 A 1 ATOM 47 C C . LEU A 1 8 ? -6.030 2.383 1.657 1.00 90.54 8 A 1 ATOM 48 O O . LEU A 1 8 ? -5.554 1.331 1.232 1.00 88.68 8 A 1 ATOM 49 C CB . LEU A 1 8 ? -8.382 2.830 0.933 1.00 88.37 8 A 1 ATOM 50 C CG . LEU A 1 8 ? -9.869 2.592 1.187 1.00 83.95 8 A 1 ATOM 51 C CD1 . LEU A 1 8 ? -10.703 3.270 0.107 1.00 80.78 8 A 1 ATOM 52 C CD2 . LEU A 1 8 ? -10.169 1.098 1.212 1.00 78.97 8 A 1 ATOM 53 N N . LEU A 1 9 ? -5.314 3.495 1.749 1.00 88.68 9 A 1 ATOM 54 C CA . LEU A 1 9 ? -3.912 3.561 1.336 1.00 88.88 9 A 1 ATOM 55 C C . LEU A 1 9 ? -3.009 2.762 2.273 1.00 89.40 9 A 1 ATOM 56 O O . LEU A 1 9 ? -1.943 2.307 1.866 1.00 87.82 9 A 1 ATOM 57 C CB . LEU A 1 9 ? -3.456 5.019 1.290 1.00 87.06 9 A 1 ATOM 58 C CG . LEU A 1 9 ? -4.010 5.804 0.102 1.00 83.70 9 A 1 ATOM 59 C CD1 . LEU A 1 9 ? -3.767 7.293 0.298 1.00 80.98 9 A 1 ATOM 60 C CD2 . LEU A 1 9 ? -3.351 5.343 -1.192 1.00 79.30 9 A 1 ATOM 61 N N . LEU A 1 10 ? -3.421 2.582 3.505 1.00 89.79 10 A 1 ATOM 62 C CA . LEU A 1 10 ? -2.636 1.835 4.487 1.00 89.40 10 A 1 ATOM 63 C C . LEU A 1 10 ? -2.421 0.388 4.058 1.00 89.60 10 A 1 ATOM 64 O O . LEU A 1 10 ? -1.396 -0.212 4.381 1.00 86.76 10 A 1 ATOM 65 C CB . LEU A 1 10 ? -3.344 1.876 5.843 1.00 87.35 10 A 1 ATOM 66 C CG . LEU A 1 10 ? -3.255 3.238 6.538 1.00 83.95 10 A 1 ATOM 67 C CD1 . LEU A 1 10 ? -4.274 3.327 7.666 1.00 80.52 10 A 1 ATOM 68 C CD2 . LEU A 1 10 ? -1.856 3.449 7.096 1.00 79.26 10 A 1 ATOM 69 N N . GLY A 1 11 ? -3.380 -0.161 3.325 1.00 88.91 11 A 1 ATOM 70 C CA . GLY A 1 11 ? -3.271 -1.532 2.832 1.00 88.17 11 A 1 ATOM 71 C C . GLY A 1 11 ? -2.139 -1.715 1.835 1.00 89.31 11 A 1 ATOM 72 O O . GLY A 1 11 ? -1.128 -2.351 2.143 1.00 87.46 11 A 1 ATOM 73 N N . PRO A 1 12 ? -2.278 -1.170 0.623 1.00 90.88 12 A 1 ATOM 74 C CA . PRO A 1 12 ? -1.254 -1.313 -0.418 1.00 90.98 12 A 1 ATOM 75 C C . PRO A 1 12 ? 0.049 -0.600 -0.079 1.00 91.29 12 A 1 ATOM 76 O O . PRO A 1 12 ? 1.122 -1.042 -0.481 1.00 88.21 12 A 1 ATOM 77 C CB . PRO A 1 12 ? -1.916 -0.696 -1.658 1.00 89.02 12 A 1 ATOM 78 C CG . PRO A 1 12 ? -2.959 0.222 -1.123 1.00 87.90 12 A 1 ATOM 79 C CD . PRO A 1 12 ? -3.445 -0.421 0.151 1.00 90.95 12 A 1 ATOM 80 N N . LEU A 1 13 ? -0.024 0.483 0.654 1.00 88.93 13 A 1 ATOM 81 C CA . LEU A 1 13 ? 1.161 1.250 1.037 1.00 88.96 13 A 1 ATOM 82 C C . LEU A 1 13 ? 2.093 0.433 1.925 1.00 89.54 13 A 1 ATOM 83 O O . LEU A 1 13 ? 3.314 0.541 1.818 1.00 87.56 13 A 1 ATOM 84 C CB . LEU A 1 13 ? 0.733 2.528 1.760 1.00 87.45 13 A 1 ATOM 85 C CG . LEU A 1 13 ? 1.872 3.485 2.068 1.00 84.19 13 A 1 ATOM 86 C CD1 . LEU A 1 13 ? 2.447 4.069 0.785 1.00 80.66 13 A 1 ATOM 87 C CD2 . LEU A 1 13 ? 1.373 4.605 2.972 1.00 79.40 13 A 1 ATOM 88 N N . THR A 1 14 ? 1.534 -0.384 2.780 1.00 88.39 14 A 1 ATOM 89 C CA . THR A 1 14 ? 2.323 -1.226 3.685 1.00 88.69 14 A 1 ATOM 90 C C . THR A 1 14 ? 3.177 -2.212 2.897 1.00 88.94 14 A 1 ATOM 91 O O . THR A 1 14 ? 4.366 -2.376 3.169 1.00 86.96 14 A 1 ATOM 92 C CB . THR A 1 14 ? 1.407 -1.997 4.643 1.00 86.85 14 A 1 ATOM 93 O OG1 . THR A 1 14 ? 0.626 -1.082 5.398 1.00 80.91 14 A 1 ATOM 94 C CG2 . THR A 1 14 ? 2.222 -2.840 5.611 1.00 79.08 14 A 1 ATOM 95 N N . LEU A 1 15 ? 2.584 -2.865 1.912 1.00 88.77 15 A 1 ATOM 96 C CA . LEU A 1 15 ? 3.300 -3.830 1.081 1.00 89.10 15 A 1 ATOM 97 C C . LEU A 1 15 ? 4.356 -3.137 0.227 1.00 89.78 15 A 1 ATOM 98 O O . LEU A 1 15 ? 5.437 -3.676 0.005 1.00 88.26 15 A 1 ATOM 99 C CB . LEU A 1 15 ? 2.313 -4.581 0.187 1.00 87.79 15 A 1 ATOM 100 C CG . LEU A 1 15 ? 1.461 -5.609 0.930 1.00 83.02 15 A 1 ATOM 101 C CD1 . LEU A 1 15 ? 0.321 -6.092 0.039 1.00 79.74 15 A 1 ATOM 102 C CD2 . LEU A 1 15 ? 2.312 -6.803 1.357 1.00 78.78 15 A 1 ATOM 103 N N . TRP A 1 16 ? 4.057 -1.935 -0.253 1.00 88.78 16 A 1 ATOM 104 C CA . TRP A 1 16 ? 4.982 -1.175 -1.091 1.00 88.91 16 A 1 ATOM 105 C C . TRP A 1 16 ? 6.261 -0.839 -0.324 1.00 89.68 16 A 1 ATOM 106 O O . TRP A 1 16 ? 7.358 -0.911 -0.860 1.00 88.81 16 A 1 ATOM 107 C CB . TRP A 1 16 ? 4.305 0.104 -1.576 1.00 87.82 16 A 1 ATOM 108 C CG . TRP A 1 16 ? 4.486 0.308 -3.045 1.00 85.90 16 A 1 ATOM 109 C CD1 . TRP A 1 16 ? 3.577 0.021 -4.013 1.00 82.12 16 A 1 ATOM 110 C CD2 . TRP A 1 16 ? 5.641 0.824 -3.725 1.00 84.34 16 A 1 ATOM 111 N NE1 . TRP A 1 16 ? 4.093 0.327 -5.249 1.00 82.02 16 A 1 ATOM 112 C CE2 . TRP A 1 16 ? 5.362 0.824 -5.119 1.00 84.54 16 A 1 ATOM 113 C CE3 . TRP A 1 16 ? 6.894 1.294 -3.308 1.00 82.83 16 A 1 ATOM 114 C CZ2 . TRP A 1 16 ? 6.287 1.270 -6.064 1.00 81.76 16 A 1 ATOM 115 C CZ3 . TRP A 1 16 ? 7.816 1.738 -4.250 1.00 79.04 16 A 1 ATOM 116 C CH2 . TRP A 1 16 ? 7.512 1.725 -5.611 1.00 79.18 16 A 1 ATOM 117 N N . GLU A 1 17 ? 6.128 -0.507 0.926 1.00 89.22 17 A 1 ATOM 118 C CA . GLU A 1 17 ? 7.276 -0.162 1.763 1.00 89.10 17 A 1 ATOM 119 C C . GLU A 1 17 ? 8.093 -1.398 2.137 1.00 90.02 17 A 1 ATOM 120 O O . GLU A 1 17 ? 9.320 -1.342 2.201 1.00 88.96 17 A 1 ATOM 121 C CB . GLU A 1 17 ? 6.795 0.542 3.031 1.00 87.50 17 A 1 ATOM 122 C CG . GLU A 1 17 ? 7.948 1.110 3.842 1.00 80.04 17 A 1 ATOM 123 C CD . GLU A 1 17 ? 7.460 1.808 5.094 1.00 76.22 17 A 1 ATOM 124 O OE1 . GLU A 1 17 ? 6.738 1.173 5.873 1.00 69.96 17 A 1 ATOM 125 O OE2 . GLU A 1 17 ? 7.805 2.982 5.293 1.00 73.18 17 A 1 ATOM 126 N N . VAL A 1 18 ? 7.429 -2.505 2.380 1.00 89.13 18 A 1 ATOM 127 C CA . VAL A 1 18 ? 8.103 -3.750 2.762 1.00 89.64 18 A 1 ATOM 128 C C . VAL A 1 18 ? 8.789 -4.402 1.565 1.00 90.43 18 A 1 ATOM 129 O O . VAL A 1 18 ? 9.913 -4.896 1.678 1.00 89.05 18 A 1 ATOM 130 C CB . VAL A 1 18 ? 7.105 -4.736 3.401 1.00 87.86 18 A 1 ATOM 131 C CG1 . VAL A 1 18 ? 7.771 -6.077 3.701 1.00 83.18 18 A 1 ATOM 132 C CG2 . VAL A 1 18 ? 6.527 -4.159 4.685 1.00 83.49 18 A 1 ATOM 133 N N . LEU A 1 19 ? 8.121 -4.403 0.419 1.00 91.04 19 A 1 ATOM 134 C CA . LEU A 1 19 ? 8.649 -5.038 -0.787 1.00 90.18 19 A 1 ATOM 135 C C . LEU A 1 19 ? 9.802 -4.243 -1.383 1.00 89.68 19 A 1 ATOM 136 O O . LEU A 1 19 ? 10.818 -4.815 -1.777 1.00 87.56 19 A 1 ATOM 137 C CB . LEU A 1 19 ? 7.531 -5.199 -1.817 1.00 88.97 19 A 1 ATOM 138 C CG . LEU A 1 19 ? 6.482 -6.248 -1.445 1.00 86.60 19 A 1 ATOM 139 C CD1 . LEU A 1 19 ? 5.257 -6.120 -2.341 1.00 82.72 19 A 1 ATOM 140 C CD2 . LEU A 1 19 ? 7.067 -7.649 -1.567 1.00 80.57 19 A 1 ATOM 141 N N . THR A 1 20 ? 9.661 -2.937 -1.457 1.00 90.08 20 A 1 ATOM 142 C CA . THR A 1 20 ? 10.696 -2.085 -2.043 1.00 88.74 20 A 1 ATOM 143 C C . THR A 1 20 ? 10.961 -0.836 -1.187 1.00 87.91 20 A 1 ATOM 144 O O . THR A 1 20 ? 10.550 0.270 -1.526 1.00 85.49 20 A 1 ATOM 145 C CB . THR A 1 20 ? 10.316 -1.712 -3.485 1.00 85.80 20 A 1 ATOM 146 O OG1 . THR A 1 20 ? 11.278 -0.805 -4.005 1.00 79.09 20 A 1 ATOM 147 C CG2 . THR A 1 20 ? 8.936 -1.084 -3.587 1.00 77.30 20 A 1 ATOM 148 N N . PRO A 1 21 ? 11.683 -1.013 -0.087 1.00 88.07 21 A 1 ATOM 149 C CA . PRO A 1 21 ? 12.030 0.111 0.793 1.00 87.98 21 A 1 ATOM 150 C C . PRO A 1 21 ? 13.126 1.005 0.216 1.00 87.54 21 A 1 ATOM 151 O O . PRO A 1 21 ? 13.262 2.162 0.613 1.00 83.16 21 A 1 ATOM 152 C CB . PRO A 1 21 ? 12.507 -0.583 2.070 1.00 84.39 21 A 1 ATOM 153 C CG . PRO A 1 21 ? 13.022 -1.905 1.604 1.00 81.57 21 A 1 ATOM 154 C CD . PRO A 1 21 ? 12.179 -2.291 0.411 1.00 84.33 21 A 1 ATOM 155 N N . VAL A 1 22 ? 13.909 0.469 -0.725 1.00 84.16 22 A 1 ATOM 156 C CA . VAL A 1 22 ? 15.007 1.209 -1.347 1.00 82.29 22 A 1 ATOM 157 C C . VAL A 1 22 ? 14.499 2.166 -2.422 1.00 81.86 22 A 1 ATOM 158 O O . VAL A 1 22 ? 15.108 3.206 -2.687 1.00 77.38 22 A 1 ATOM 159 C CB . VAL A 1 22 ? 16.038 0.243 -1.951 1.00 77.31 22 A 1 ATOM 160 C CG1 . VAL A 1 22 ? 17.217 1.004 -2.537 1.00 67.92 22 A 1 ATOM 161 C CG2 . VAL A 1 22 ? 16.525 -0.737 -0.900 1.00 69.73 22 A 1 ATOM 162 N N . SER A 1 23 ? 13.391 1.818 -3.038 1.00 78.53 23 A 1 ATOM 163 C CA . SER A 1 23 ? 12.794 2.638 -4.094 1.00 77.32 23 A 1 ATOM 164 C C . SER A 1 23 ? 11.935 3.768 -3.532 1.00 76.29 23 A 1 ATOM 165 O O . SER A 1 23 ? 11.084 4.321 -4.236 1.00 70.71 23 A 1 ATOM 166 C CB . SER A 1 23 ? 11.952 1.761 -5.019 1.00 72.91 23 A 1 ATOM 167 O OG . SER A 1 23 ? 12.754 0.792 -5.658 1.00 64.69 23 A 1 ATOM 168 N N . SER A 1 24 ? 12.159 4.100 -2.285 1.00 76.84 24 A 1 ATOM 169 C CA . SER A 1 24 ? 11.399 5.156 -1.618 1.00 74.99 24 A 1 ATOM 170 C C . SER A 1 24 ? 12.207 6.445 -1.550 1.00 70.59 24 A 1 ATOM 171 O O . SER A 1 24 ? 11.609 7.530 -1.649 1.00 62.66 24 A 1 ATOM 172 C CB . SER A 1 24 ? 11.006 4.711 -0.217 1.00 67.67 24 A 1 ATOM 173 O OG . SER A 1 24 ? 10.354 5.751 0.463 1.00 62.48 24 A 1 ATOM 174 O OXT . SER A 1 24 ? 13.424 6.346 -1.374 1.00 61.87 24 A 1 #