# 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_spkb17382 # _entry.id spkb17382 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "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 ALA 2 1 n VAL 3 1 n TRP 4 1 n LEU 5 1 n GLN 6 1 n ALA 7 1 n GLY 8 1 n ALA 9 1 n LEU 10 1 n LEU 11 1 n VAL 12 1 n LEU 13 1 n LEU 14 1 n VAL 15 1 n VAL 16 1 n SER 17 1 n SER 18 1 n VAL 19 1 n SER 20 1 n THR 21 # _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 06:24:25)" _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 93.83 _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 84.53 1 1 A ALA 2 2 94.67 1 2 A VAL 3 2 95.62 1 3 A TRP 4 2 92.45 1 4 A LEU 5 2 95.45 1 5 A GLN 6 2 91.01 1 6 A ALA 7 2 97.55 1 7 A GLY 8 2 97.23 1 8 A ALA 9 2 97.61 1 9 A LEU 10 2 95.93 1 10 A LEU 11 2 94.87 1 11 A VAL 12 2 97.08 1 12 A LEU 13 2 94.95 1 13 A LEU 14 2 95.03 1 14 A VAL 15 2 96.67 1 15 A VAL 16 2 96.06 1 16 A SER 17 2 94.61 1 17 A SER 18 2 94.77 1 18 A VAL 19 2 94.10 1 19 A SER 20 2 90.55 1 20 A THR 21 2 86.78 1 21 # _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 VAL . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n THR . 21 A 21 # _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 ? -16.232 -6.966 3.617 1.00 90.72 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.056 -6.377 4.298 1.00 91.65 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.837 -6.318 3.362 1.00 91.91 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.733 -6.666 3.760 1.00 90.60 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.732 -7.178 5.563 1.00 86.85 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.804 -7.035 6.637 1.00 80.34 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.369 -7.962 8.126 1.00 76.28 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.701 -7.462 9.209 1.00 67.86 1 A 1 ATOM 9 N N . ALA A 1 2 ? -14.033 -5.888 2.128 1.00 93.61 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -12.942 -5.791 1.152 1.00 95.30 2 A 1 ATOM 11 C C . ALA A 1 2 ? -11.996 -4.608 1.436 1.00 96.36 2 A 1 ATOM 12 O O . ALA A 1 2 ? -10.892 -4.546 0.902 1.00 95.17 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -13.564 -5.690 -0.240 1.00 92.93 2 A 1 ATOM 14 N N . VAL A 1 3 ? -12.415 -3.695 2.309 1.00 97.00 3 A 1 ATOM 15 C CA . VAL A 1 3 ? -11.660 -2.490 2.696 1.00 97.18 3 A 1 ATOM 16 C C . VAL A 1 3 ? -10.335 -2.841 3.384 1.00 97.69 3 A 1 ATOM 17 O O . VAL A 1 3 ? -9.372 -2.081 3.297 1.00 97.35 3 A 1 ATOM 18 C CB . VAL A 1 3 ? -12.526 -1.607 3.611 1.00 95.95 3 A 1 ATOM 19 C CG1 . VAL A 1 3 ? -11.852 -0.274 3.910 1.00 92.30 3 A 1 ATOM 20 C CG2 . VAL A 1 3 ? -13.891 -1.322 2.979 1.00 91.84 3 A 1 ATOM 21 N N . TRP A 1 4 ? -10.263 -4.012 4.022 1.00 96.69 4 A 1 ATOM 22 C CA . TRP A 1 4 ? -9.042 -4.480 4.686 1.00 96.98 4 A 1 ATOM 23 C C . TRP A 1 4 ? -7.891 -4.662 3.696 1.00 97.30 4 A 1 ATOM 24 O O . TRP A 1 4 ? -6.758 -4.290 3.993 1.00 96.66 4 A 1 ATOM 25 C CB . TRP A 1 4 ? -9.335 -5.787 5.425 1.00 96.12 4 A 1 ATOM 26 C CG . TRP A 1 4 ? -9.814 -5.598 6.825 1.00 93.65 4 A 1 ATOM 27 C CD1 . TRP A 1 4 ? -10.878 -4.861 7.226 1.00 90.53 4 A 1 ATOM 28 C CD2 . TRP A 1 4 ? -9.217 -6.146 8.041 1.00 91.81 4 A 1 ATOM 29 N NE1 . TRP A 1 4 ? -10.982 -4.906 8.610 1.00 89.26 4 A 1 ATOM 30 C CE2 . TRP A 1 4 ? -9.979 -5.690 9.142 1.00 91.23 4 A 1 ATOM 31 C CE3 . TRP A 1 4 ? -8.111 -6.975 8.296 1.00 89.40 4 A 1 ATOM 32 C CZ2 . TRP A 1 4 ? -9.652 -6.043 10.470 1.00 90.53 4 A 1 ATOM 33 C CZ3 . TRP A 1 4 ? -7.789 -7.331 9.611 1.00 86.89 4 A 1 ATOM 34 C CH2 . TRP A 1 4 ? -8.550 -6.866 10.688 1.00 87.29 4 A 1 ATOM 35 N N . LEU A 1 5 ? -8.175 -5.181 2.503 1.00 97.58 5 A 1 ATOM 36 C CA . LEU A 1 5 ? -7.169 -5.364 1.458 1.00 97.55 5 A 1 ATOM 37 C C . LEU A 1 5 ? -6.670 -4.013 0.945 1.00 97.67 5 A 1 ATOM 38 O O . LEU A 1 5 ? -5.478 -3.832 0.696 1.00 97.20 5 A 1 ATOM 39 C CB . LEU A 1 5 ? -7.769 -6.198 0.312 1.00 97.28 5 A 1 ATOM 40 C CG . LEU A 1 5 ? -7.502 -7.710 0.385 1.00 94.49 5 A 1 ATOM 41 C CD1 . LEU A 1 5 ? -6.016 -8.000 0.207 1.00 91.50 5 A 1 ATOM 42 C CD2 . LEU A 1 5 ? -7.976 -8.339 1.687 1.00 90.32 5 A 1 ATOM 43 N N . GLN A 1 6 ? -7.575 -3.056 0.813 1.00 97.24 6 A 1 ATOM 44 C CA . GLN A 1 6 ? -7.250 -1.710 0.349 1.00 97.22 6 A 1 ATOM 45 C C . GLN A 1 6 ? -6.406 -0.952 1.381 1.00 97.52 6 A 1 ATOM 46 O O . GLN A 1 6 ? -5.414 -0.311 1.019 1.00 96.62 6 A 1 ATOM 47 C CB . GLN A 1 6 ? -8.557 -0.984 0.026 1.00 96.31 6 A 1 ATOM 48 C CG . GLN A 1 6 ? -8.427 -0.165 -1.250 1.00 89.93 6 A 1 ATOM 49 C CD . GLN A 1 6 ? -9.778 0.320 -1.765 1.00 85.41 6 A 1 ATOM 50 O OE1 . GLN A 1 6 ? -10.823 -0.281 -1.550 1.00 80.94 6 A 1 ATOM 51 N NE2 . GLN A 1 6 ? -9.804 1.426 -2.466 1.00 77.88 6 A 1 ATOM 52 N N . ALA A 1 7 ? -6.748 -1.064 2.659 1.00 97.59 7 A 1 ATOM 53 C CA . ALA A 1 7 ? -5.981 -0.457 3.743 1.00 97.70 7 A 1 ATOM 54 C C . ALA A 1 7 ? -4.565 -1.047 3.826 1.00 97.99 7 A 1 ATOM 55 O O . ALA A 1 7 ? -3.595 -0.301 3.971 1.00 97.42 7 A 1 ATOM 56 C CB . ALA A 1 7 ? -6.749 -0.652 5.054 1.00 97.03 7 A 1 ATOM 57 N N . GLY A 1 8 ? -4.439 -2.363 3.675 1.00 96.98 8 A 1 ATOM 58 C CA . GLY A 1 8 ? -3.135 -3.026 3.631 1.00 97.02 8 A 1 ATOM 59 C C . GLY A 1 8 ? -2.296 -2.564 2.444 1.00 97.67 8 A 1 ATOM 60 O O . GLY A 1 8 ? -1.121 -2.246 2.607 1.00 97.27 8 A 1 ATOM 61 N N . ALA A 1 9 ? -2.896 -2.463 1.259 1.00 97.41 9 A 1 ATOM 62 C CA . ALA A 1 9 ? -2.207 -1.993 0.060 1.00 97.76 9 A 1 ATOM 63 C C . ALA A 1 9 ? -1.720 -0.544 0.207 1.00 98.12 9 A 1 ATOM 64 O O . ALA A 1 9 ? -0.594 -0.236 -0.181 1.00 97.60 9 A 1 ATOM 65 C CB . ALA A 1 9 ? -3.148 -2.141 -1.139 1.00 97.18 9 A 1 ATOM 66 N N . LEU A 1 10 ? -2.532 0.323 0.799 1.00 97.89 10 A 1 ATOM 67 C CA . LEU A 1 10 ? -2.155 1.711 1.070 1.00 97.77 10 A 1 ATOM 68 C C . LEU A 1 10 ? -0.974 1.797 2.032 1.00 98.05 10 A 1 ATOM 69 O O . LEU A 1 10 ? -0.040 2.564 1.797 1.00 97.72 10 A 1 ATOM 70 C CB . LEU A 1 10 ? -3.373 2.457 1.634 1.00 97.34 10 A 1 ATOM 71 C CG . LEU A 1 10 ? -3.990 3.410 0.611 1.00 94.34 10 A 1 ATOM 72 C CD1 . LEU A 1 10 ? -5.466 3.627 0.904 1.00 92.49 10 A 1 ATOM 73 C CD2 . LEU A 1 10 ? -3.271 4.752 0.641 1.00 91.87 10 A 1 ATOM 74 N N . LEU A 1 11 ? -0.996 0.990 3.083 1.00 97.26 11 A 1 ATOM 75 C CA . LEU A 1 11 ? 0.091 0.951 4.061 1.00 97.27 11 A 1 ATOM 76 C C . LEU A 1 11 ? 1.395 0.480 3.412 1.00 97.76 11 A 1 ATOM 77 O O . LEU A 1 11 ? 2.445 1.088 3.615 1.00 97.58 11 A 1 ATOM 78 C CB . LEU A 1 11 ? -0.307 0.029 5.219 1.00 96.84 11 A 1 ATOM 79 C CG . LEU A 1 11 ? 0.313 0.478 6.549 1.00 91.71 11 A 1 ATOM 80 C CD1 . LEU A 1 11 ? -0.760 1.091 7.453 1.00 90.16 11 A 1 ATOM 81 C CD2 . LEU A 1 11 ? 0.959 -0.688 7.274 1.00 90.35 11 A 1 ATOM 82 N N . VAL A 1 12 ? 1.325 -0.570 2.600 1.00 97.57 12 A 1 ATOM 83 C CA . VAL A 1 12 ? 2.487 -1.097 1.876 1.00 97.68 12 A 1 ATOM 84 C C . VAL A 1 12 ? 3.027 -0.060 0.896 1.00 97.92 12 A 1 ATOM 85 O O . VAL A 1 12 ? 4.238 0.151 0.849 1.00 97.60 12 A 1 ATOM 86 C CB . VAL A 1 12 ? 2.128 -2.408 1.163 1.00 97.30 12 A 1 ATOM 87 C CG1 . VAL A 1 12 ? 3.248 -2.880 0.239 1.00 95.91 12 A 1 ATOM 88 C CG2 . VAL A 1 12 ? 1.870 -3.512 2.185 1.00 95.55 12 A 1 ATOM 89 N N . LEU A 1 13 ? 2.162 0.625 0.157 1.00 97.52 13 A 1 ATOM 90 C CA . LEU A 1 13 ? 2.572 1.696 -0.753 1.00 97.22 13 A 1 ATOM 91 C C . LEU A 1 13 ? 3.311 2.811 -0.018 1.00 97.48 13 A 1 ATOM 92 O O . LEU A 1 13 ? 4.339 3.289 -0.498 1.00 97.03 13 A 1 ATOM 93 C CB . LEU A 1 13 ? 1.330 2.258 -1.459 1.00 96.87 13 A 1 ATOM 94 C CG . LEU A 1 13 ? 1.099 1.620 -2.833 1.00 92.42 13 A 1 ATOM 95 C CD1 . LEU A 1 13 ? -0.335 1.845 -3.287 1.00 90.61 13 A 1 ATOM 96 C CD2 . LEU A 1 13 ? 2.042 2.233 -3.864 1.00 90.46 13 A 1 ATOM 97 N N . LEU A 1 14 ? 2.822 3.201 1.149 1.00 97.53 14 A 1 ATOM 98 C CA . LEU A 1 14 ? 3.439 4.247 1.961 1.00 97.12 14 A 1 ATOM 99 C C . LEU A 1 14 ? 4.828 3.820 2.445 1.00 97.42 14 A 1 ATOM 100 O O . LEU A 1 14 ? 5.786 4.590 2.343 1.00 96.97 14 A 1 ATOM 101 C CB . LEU A 1 14 ? 2.483 4.573 3.119 1.00 96.81 14 A 1 ATOM 102 C CG . LEU A 1 14 ? 2.399 6.076 3.412 1.00 92.68 14 A 1 ATOM 103 C CD1 . LEU A 1 14 ? 1.005 6.430 3.923 1.00 90.97 14 A 1 ATOM 104 C CD2 . LEU A 1 14 ? 3.429 6.502 4.443 1.00 90.76 14 A 1 ATOM 105 N N . VAL A 1 15 ? 4.952 2.585 2.908 1.00 97.58 15 A 1 ATOM 106 C CA . VAL A 1 15 ? 6.235 2.032 3.356 1.00 97.49 15 A 1 ATOM 107 C C . VAL A 1 15 ? 7.216 1.927 2.191 1.00 97.46 15 A 1 ATOM 108 O O . VAL A 1 15 ? 8.354 2.383 2.307 1.00 96.69 15 A 1 ATOM 109 C CB . VAL A 1 15 ? 6.020 0.669 4.037 1.00 97.06 15 A 1 ATOM 110 C CG1 . VAL A 1 15 ? 7.340 -0.028 4.349 1.00 95.09 15 A 1 ATOM 111 C CG2 . VAL A 1 15 ? 5.262 0.840 5.352 1.00 95.33 15 A 1 ATOM 112 N N . VAL A 1 16 ? 6.786 1.387 1.056 1.00 97.62 16 A 1 ATOM 113 C CA . VAL A 1 16 ? 7.631 1.253 -0.136 1.00 97.23 16 A 1 ATOM 114 C C . VAL A 1 16 ? 8.075 2.622 -0.647 1.00 97.03 16 A 1 ATOM 115 O O . VAL A 1 16 ? 9.246 2.796 -0.983 1.00 95.88 16 A 1 ATOM 116 C CB . VAL A 1 16 ? 6.894 0.465 -1.229 1.00 96.47 16 A 1 ATOM 117 C CG1 . VAL A 1 16 ? 7.650 0.476 -2.552 1.00 93.67 16 A 1 ATOM 118 C CG2 . VAL A 1 16 ? 6.714 -0.989 -0.807 1.00 94.52 16 A 1 ATOM 119 N N . SER A 1 17 ? 7.184 3.604 -0.651 1.00 97.31 17 A 1 ATOM 120 C CA . SER A 1 17 ? 7.521 4.974 -1.044 1.00 96.85 17 A 1 ATOM 121 C C . SER A 1 17 ? 8.577 5.584 -0.125 1.00 97.06 17 A 1 ATOM 122 O O . SER A 1 17 ? 9.477 6.274 -0.600 1.00 95.58 17 A 1 ATOM 123 C CB . SER A 1 17 ? 6.261 5.834 -1.039 1.00 95.45 17 A 1 ATOM 124 O OG . SER A 1 17 ? 6.550 7.096 -1.592 1.00 85.42 17 A 1 ATOM 125 N N . SER A 1 18 ? 8.515 5.308 1.170 1.00 96.84 18 A 1 ATOM 126 C CA . SER A 1 18 ? 9.502 5.789 2.141 1.00 96.73 18 A 1 ATOM 127 C C . SER A 1 18 ? 10.858 5.102 1.977 1.00 97.08 18 A 1 ATOM 128 O O . SER A 1 18 ? 11.895 5.726 2.189 1.00 95.20 18 A 1 ATOM 129 C CB . SER A 1 18 ? 8.974 5.572 3.558 1.00 95.34 18 A 1 ATOM 130 O OG . SER A 1 18 ? 9.828 6.203 4.483 1.00 87.44 18 A 1 ATOM 131 N N . VAL A 1 19 ? 10.866 3.830 1.594 1.00 96.91 19 A 1 ATOM 132 C CA . VAL A 1 19 ? 12.101 3.058 1.390 1.00 96.54 19 A 1 ATOM 133 C C . VAL A 1 19 ? 12.732 3.361 0.027 1.00 96.32 19 A 1 ATOM 134 O O . VAL A 1 19 ? 13.953 3.273 -0.118 1.00 94.01 19 A 1 ATOM 135 C CB . VAL A 1 19 ? 11.815 1.553 1.555 1.00 95.09 19 A 1 ATOM 136 C CG1 . VAL A 1 19 ? 13.030 0.690 1.241 1.00 89.66 19 A 1 ATOM 137 C CG2 . VAL A 1 19 ? 11.388 1.239 2.986 1.00 90.17 19 A 1 ATOM 138 N N . SER A 1 20 ? 11.932 3.734 -0.962 1.00 94.52 20 A 1 ATOM 139 C CA . SER A 1 20 ? 12.422 4.038 -2.312 1.00 93.87 20 A 1 ATOM 140 C C . SER A 1 20 ? 13.252 5.320 -2.378 1.00 93.66 20 A 1 ATOM 141 O O . SER A 1 20 ? 14.039 5.483 -3.308 1.00 89.38 20 A 1 ATOM 142 C CB . SER A 1 20 ? 11.252 4.155 -3.285 1.00 90.74 20 A 1 ATOM 143 O OG . SER A 1 20 ? 10.696 2.884 -3.548 1.00 81.12 20 A 1 ATOM 144 N N . THR A 1 21 ? 13.077 6.220 -1.414 1.00 93.96 21 A 1 ATOM 145 C CA . THR A 1 21 ? 13.881 7.446 -1.310 1.00 93.01 21 A 1 ATOM 146 C C . THR A 1 21 ? 15.196 7.197 -0.576 1.00 90.30 21 A 1 ATOM 147 O O . THR A 1 21 ? 16.213 7.774 -0.992 1.00 83.96 21 A 1 ATOM 148 C CB . THR A 1 21 ? 13.111 8.574 -0.603 1.00 87.54 21 A 1 ATOM 149 O OG1 . THR A 1 21 ? 12.038 8.075 0.177 1.00 80.57 21 A 1 ATOM 150 C CG2 . THR A 1 21 ? 12.538 9.545 -1.604 1.00 83.34 21 A 1 ATOM 151 O OXT . THR A 1 21 ? 15.194 6.428 0.399 1.00 81.59 21 A 1 #