# 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_spkb32874 # _entry.id spkb32874 # 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" "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" "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" # _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 GLN 2 1 n LEU 3 1 n PHE 4 1 n PRO 5 1 n LEU 6 1 n LEU 7 1 n PHE 8 1 n SER 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n THR 13 1 n SER 14 1 n THR 15 1 n PRO 16 1 n GLY 17 1 n SER 18 1 n TRP 19 1 n ALA 20 # _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 08:13:03)" _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 82.16 _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 75.97 1 1 A GLN 2 2 78.29 1 2 A LEU 3 2 82.91 1 3 A PHE 4 2 83.76 1 4 A PRO 5 2 88.72 1 5 A LEU 6 2 86.56 1 6 A LEU 7 2 85.90 1 7 A PHE 8 2 85.87 1 8 A SER 9 2 87.72 1 9 A LEU 10 2 86.55 1 10 A LEU 11 2 88.20 1 11 A LEU 12 2 85.67 1 12 A THR 13 2 84.90 1 13 A SER 14 2 84.02 1 14 A THR 15 2 81.90 1 15 A PRO 16 2 82.07 1 16 A GLY 17 2 81.23 1 17 A SER 18 2 75.46 1 18 A TRP 19 2 68.68 1 19 A ALA 20 2 76.80 1 20 # _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 GLN . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n TRP . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -16.028 -1.411 2.253 1.00 83.53 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.733 -1.104 2.869 1.00 84.24 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.573 -1.569 1.991 1.00 84.49 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.807 -2.450 2.370 1.00 79.10 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.620 -1.782 4.237 1.00 77.43 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.527 -1.169 5.274 1.00 71.96 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.344 -1.983 6.871 1.00 67.22 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.366 -0.921 7.880 1.00 59.82 1 A 1 ATOM 9 N N . GLN A 1 2 ? -13.444 -0.983 0.837 1.00 85.99 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -12.374 -1.331 -0.094 1.00 88.53 2 A 1 ATOM 11 C C . GLN A 1 2 ? -11.301 -0.243 -0.125 1.00 89.43 2 A 1 ATOM 12 O O . GLN A 1 2 ? -10.364 -0.305 -0.916 1.00 85.61 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -12.953 -1.540 -1.493 1.00 83.37 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -13.860 -2.752 -1.583 1.00 74.23 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -14.422 -2.942 -2.975 1.00 70.80 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -14.318 -2.058 -3.821 1.00 65.42 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -15.019 -4.089 -3.232 1.00 61.21 2 A 1 ATOM 18 N N . LEU A 1 3 ? -11.431 0.741 0.751 1.00 86.40 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -10.475 1.844 0.811 1.00 87.72 3 A 1 ATOM 20 C C . LEU A 1 3 ? -9.292 1.518 1.716 1.00 89.90 3 A 1 ATOM 21 O O . LEU A 1 3 ? -8.230 2.132 1.603 1.00 87.72 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -11.169 3.110 1.312 1.00 84.77 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -12.326 3.597 0.454 1.00 79.40 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -13.028 4.758 1.137 1.00 74.86 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -11.840 4.011 -0.924 1.00 72.52 3 A 1 ATOM 26 N N . PHE A 1 4 ? -9.482 0.549 2.604 1.00 88.26 4 A 1 ATOM 27 C CA . PHE A 1 4 ? -8.431 0.148 3.540 1.00 88.07 4 A 1 ATOM 28 C C . PHE A 1 4 ? -7.185 -0.375 2.821 1.00 90.52 4 A 1 ATOM 29 O O . PHE A 1 4 ? -6.080 0.106 3.079 1.00 90.49 4 A 1 ATOM 30 C CB . PHE A 1 4 ? -8.967 -0.908 4.509 1.00 86.43 4 A 1 ATOM 31 C CG . PHE A 1 4 ? -8.093 -1.091 5.718 1.00 84.14 4 A 1 ATOM 32 C CD1 . PHE A 1 4 ? -6.996 -1.931 5.667 1.00 80.55 4 A 1 ATOM 33 C CD2 . PHE A 1 4 ? -8.376 -0.422 6.893 1.00 79.71 4 A 1 ATOM 34 C CE1 . PHE A 1 4 ? -6.178 -2.101 6.774 1.00 77.67 4 A 1 ATOM 35 C CE2 . PHE A 1 4 ? -7.562 -0.589 8.005 1.00 77.83 4 A 1 ATOM 36 C CZ . PHE A 1 4 ? -6.466 -1.427 7.945 1.00 77.73 4 A 1 ATOM 37 N N . PRO A 1 5 ? -7.328 -1.368 1.924 1.00 89.25 5 A 1 ATOM 38 C CA . PRO A 1 5 ? -6.162 -1.909 1.205 1.00 90.26 5 A 1 ATOM 39 C C . PRO A 1 5 ? -5.488 -0.865 0.327 1.00 91.15 5 A 1 ATOM 40 O O . PRO A 1 5 ? -4.265 -0.870 0.175 1.00 88.77 5 A 1 ATOM 41 C CB . PRO A 1 5 ? -6.753 -3.044 0.354 1.00 87.48 5 A 1 ATOM 42 C CG . PRO A 1 5 ? -8.197 -2.738 0.244 1.00 85.62 5 A 1 ATOM 43 C CD . PRO A 1 5 ? -8.569 -2.024 1.516 1.00 88.51 5 A 1 ATOM 44 N N . LEU A 1 6 ? -6.272 0.019 -0.235 1.00 90.18 6 A 1 ATOM 45 C CA . LEU A 1 6 ? -5.741 1.079 -1.090 1.00 90.01 6 A 1 ATOM 46 C C . LEU A 1 6 ? -4.924 2.077 -0.273 1.00 90.97 6 A 1 ATOM 47 O O . LEU A 1 6 ? -3.837 2.489 -0.682 1.00 89.94 6 A 1 ATOM 48 C CB . LEU A 1 6 ? -6.888 1.798 -1.801 1.00 89.30 6 A 1 ATOM 49 C CG . LEU A 1 6 ? -6.444 2.759 -2.897 1.00 83.88 6 A 1 ATOM 50 C CD1 . LEU A 1 6 ? -5.882 1.986 -4.086 1.00 79.67 6 A 1 ATOM 51 C CD2 . LEU A 1 6 ? -7.599 3.636 -3.337 1.00 78.52 6 A 1 ATOM 52 N N . LEU A 1 7 ? -5.453 2.455 0.877 1.00 89.08 7 A 1 ATOM 53 C CA . LEU A 1 7 ? -4.775 3.398 1.769 1.00 89.47 7 A 1 ATOM 54 C C . LEU A 1 7 ? -3.460 2.821 2.280 1.00 90.68 7 A 1 ATOM 55 O O . LEU A 1 7 ? -2.436 3.505 2.308 1.00 90.38 7 A 1 ATOM 56 C CB . LEU A 1 7 ? -5.685 3.745 2.946 1.00 88.59 7 A 1 ATOM 57 C CG . LEU A 1 7 ? -5.136 4.822 3.872 1.00 82.67 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? -5.130 6.177 3.175 1.00 78.69 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? -5.953 4.891 5.149 1.00 77.67 7 A 1 ATOM 60 N N . PHE A 1 8 ? -3.491 1.558 2.670 1.00 89.07 8 A 1 ATOM 61 C CA . PHE A 1 8 ? -2.300 0.879 3.178 1.00 88.58 8 A 1 ATOM 62 C C . PHE A 1 8 ? -1.233 0.762 2.095 1.00 90.03 8 A 1 ATOM 63 O O . PHE A 1 8 ? -0.048 0.974 2.348 1.00 89.36 8 A 1 ATOM 64 C CB . PHE A 1 8 ? -2.677 -0.508 3.695 1.00 87.73 8 A 1 ATOM 65 C CG . PHE A 1 8 ? -1.534 -1.214 4.371 1.00 86.97 8 A 1 ATOM 66 C CD1 . PHE A 1 8 ? -1.107 -0.821 5.629 1.00 83.74 8 A 1 ATOM 67 C CD2 . PHE A 1 8 ? -0.894 -2.266 3.742 1.00 83.43 8 A 1 ATOM 68 C CE1 . PHE A 1 8 ? -0.055 -1.464 6.255 1.00 82.11 8 A 1 ATOM 69 C CE2 . PHE A 1 8 ? 0.168 -2.914 4.363 1.00 81.63 8 A 1 ATOM 70 C CZ . PHE A 1 8 ? 0.588 -2.515 5.618 1.00 81.97 8 A 1 ATOM 71 N N . SER A 1 9 ? -1.657 0.422 0.894 1.00 89.54 9 A 1 ATOM 72 C CA . SER A 1 9 ? -0.744 0.285 -0.241 1.00 89.28 9 A 1 ATOM 73 C C . SER A 1 9 ? -0.065 1.614 -0.554 1.00 89.93 9 A 1 ATOM 74 O O . SER A 1 9 ? 1.131 1.661 -0.838 1.00 88.46 9 A 1 ATOM 75 C CB . SER A 1 9 ? -1.500 -0.212 -1.473 1.00 88.71 9 A 1 ATOM 76 O OG . SER A 1 9 ? -0.606 -0.439 -2.541 1.00 80.42 9 A 1 ATOM 77 N N . LEU A 1 10 ? -0.826 2.682 -0.488 1.00 89.55 10 A 1 ATOM 78 C CA . LEU A 1 10 ? -0.306 4.022 -0.753 1.00 89.40 10 A 1 ATOM 79 C C . LEU A 1 10 ? 0.753 4.409 0.274 1.00 90.32 10 A 1 ATOM 80 O O . LEU A 1 10 ? 1.807 4.941 -0.076 1.00 88.68 10 A 1 ATOM 81 C CB . LEU A 1 10 ? -1.448 5.040 -0.729 1.00 88.99 10 A 1 ATOM 82 C CG . LEU A 1 10 ? -1.042 6.464 -1.093 1.00 84.51 10 A 1 ATOM 83 C CD1 . LEU A 1 10 ? -0.718 6.561 -2.579 1.00 80.49 10 A 1 ATOM 84 C CD2 . LEU A 1 10 ? -2.137 7.441 -0.726 1.00 80.46 10 A 1 ATOM 85 N N . LEU A 1 11 ? 0.471 4.134 1.528 1.00 91.36 11 A 1 ATOM 86 C CA . LEU A 1 11 ? 1.392 4.446 2.618 1.00 90.90 11 A 1 ATOM 87 C C . LEU A 1 11 ? 2.668 3.622 2.512 1.00 91.14 11 A 1 ATOM 88 O O . LEU A 1 11 ? 3.768 4.131 2.733 1.00 89.70 11 A 1 ATOM 89 C CB . LEU A 1 11 ? 0.717 4.183 3.964 1.00 90.42 11 A 1 ATOM 90 C CG . LEU A 1 11 ? 1.510 4.664 5.177 1.00 86.52 11 A 1 ATOM 91 C CD1 . LEU A 1 11 ? 1.542 6.189 5.226 1.00 82.86 11 A 1 ATOM 92 C CD2 . LEU A 1 11 ? 0.910 4.111 6.458 1.00 82.73 11 A 1 ATOM 93 N N . LEU A 1 12 ? 2.525 2.355 2.167 1.00 89.82 12 A 1 ATOM 94 C CA . LEU A 1 12 ? 3.662 1.447 2.029 1.00 88.72 12 A 1 ATOM 95 C C . LEU A 1 12 ? 4.576 1.879 0.887 1.00 88.43 12 A 1 ATOM 96 O O . LEU A 1 12 ? 5.800 1.826 1.004 1.00 85.63 12 A 1 ATOM 97 C CB . LEU A 1 12 ? 3.162 0.021 1.784 1.00 87.19 12 A 1 ATOM 98 C CG . LEU A 1 12 ? 4.257 -1.038 1.775 1.00 84.45 12 A 1 ATOM 99 C CD1 . LEU A 1 12 ? 4.830 -1.227 3.175 1.00 80.91 12 A 1 ATOM 100 C CD2 . LEU A 1 12 ? 3.716 -2.352 1.245 1.00 80.23 12 A 1 ATOM 101 N N . THR A 1 13 ? 3.985 2.303 -0.199 1.00 89.91 13 A 1 ATOM 102 C CA . THR A 1 13 ? 4.748 2.739 -1.371 1.00 88.36 13 A 1 ATOM 103 C C . THR A 1 13 ? 5.530 4.021 -1.082 1.00 88.09 13 A 1 ATOM 104 O O . THR A 1 13 ? 6.624 4.229 -1.611 1.00 84.19 13 A 1 ATOM 105 C CB . THR A 1 13 ? 3.817 2.970 -2.567 1.00 85.77 13 A 1 ATOM 106 O OG1 . THR A 1 13 ? 3.056 1.793 -2.821 1.00 79.90 13 A 1 ATOM 107 C CG2 . THR A 1 13 ? 4.620 3.300 -3.818 1.00 78.10 13 A 1 ATOM 108 N N . SER A 1 14 ? 4.980 4.872 -0.236 1.00 88.00 14 A 1 ATOM 109 C CA . SER A 1 14 ? 5.610 6.146 0.104 1.00 87.07 14 A 1 ATOM 110 C C . SER A 1 14 ? 6.286 6.099 1.471 1.00 87.68 14 A 1 ATOM 111 O O . SER A 1 14 ? 6.432 7.126 2.133 1.00 82.89 14 A 1 ATOM 112 C CB . SER A 1 14 ? 4.568 7.262 0.077 1.00 84.36 14 A 1 ATOM 113 O OG . SER A 1 14 ? 3.577 7.048 1.049 1.00 74.12 14 A 1 ATOM 114 N N . THR A 1 15 ? 6.688 4.916 1.891 1.00 86.35 15 A 1 ATOM 115 C CA . THR A 1 15 ? 7.329 4.764 3.195 1.00 85.85 15 A 1 ATOM 116 C C . THR A 1 15 ? 8.808 5.155 3.122 1.00 86.24 15 A 1 ATOM 117 O O . THR A 1 15 ? 9.600 4.517 2.428 1.00 83.45 15 A 1 ATOM 118 C CB . THR A 1 15 ? 7.189 3.323 3.724 1.00 82.38 15 A 1 ATOM 119 O OG1 . THR A 1 15 ? 7.734 3.260 5.042 1.00 75.34 15 A 1 ATOM 120 C CG2 . THR A 1 15 ? 7.898 2.307 2.850 1.00 73.68 15 A 1 ATOM 121 N N . PRO A 1 16 ? 9.205 6.210 3.847 1.00 85.45 16 A 1 ATOM 122 C CA . PRO A 1 16 ? 10.588 6.677 3.865 1.00 84.96 16 A 1 ATOM 123 C C . PRO A 1 16 ? 11.435 5.918 4.889 1.00 85.25 16 A 1 ATOM 124 O O . PRO A 1 16 ? 11.256 6.086 6.097 1.00 78.23 16 A 1 ATOM 125 C CB . PRO A 1 16 ? 10.453 8.146 4.263 1.00 80.60 16 A 1 ATOM 126 C CG . PRO A 1 16 ? 9.208 8.203 5.093 1.00 78.43 16 A 1 ATOM 127 C CD . PRO A 1 16 ? 8.304 7.080 4.605 1.00 81.60 16 A 1 ATOM 128 N N . GLY A 1 17 ? 12.363 5.099 4.405 1.00 83.47 17 A 1 ATOM 129 C CA . GLY A 1 17 ? 13.218 4.343 5.310 1.00 81.01 17 A 1 ATOM 130 C C . GLY A 1 17 ? 14.256 3.521 4.579 1.00 82.25 17 A 1 ATOM 131 O O . GLY A 1 17 ? 15.456 3.686 4.784 1.00 78.19 17 A 1 ATOM 132 N N . SER A 1 18 ? 13.796 2.631 3.710 1.00 78.85 18 A 1 ATOM 133 C CA . SER A 1 18 ? 14.684 1.756 2.945 1.00 78.39 18 A 1 ATOM 134 C C . SER A 1 18 ? 15.461 2.531 1.883 1.00 79.20 18 A 1 ATOM 135 O O . SER A 1 18 ? 16.569 2.150 1.507 1.00 74.66 18 A 1 ATOM 136 C CB . SER A 1 18 ? 13.890 0.631 2.284 1.00 74.85 18 A 1 ATOM 137 O OG . SER A 1 18 ? 14.758 -0.269 1.630 1.00 66.82 18 A 1 ATOM 138 N N . TRP A 1 19 ? 14.868 3.619 1.399 1.00 77.86 19 A 1 ATOM 139 C CA . TRP A 1 19 ? 15.500 4.441 0.366 1.00 77.46 19 A 1 ATOM 140 C C . TRP A 1 19 ? 16.590 5.341 0.937 1.00 77.98 19 A 1 ATOM 141 O O . TRP A 1 19 ? 17.566 5.649 0.265 1.00 73.31 19 A 1 ATOM 142 C CB . TRP A 1 19 ? 14.439 5.277 -0.345 1.00 73.57 19 A 1 ATOM 143 C CG . TRP A 1 19 ? 13.333 4.456 -0.915 1.00 69.48 19 A 1 ATOM 144 C CD1 . TRP A 1 19 ? 12.045 4.420 -0.487 1.00 66.44 19 A 1 ATOM 145 C CD2 . TRP A 1 19 ? 13.410 3.550 -2.021 1.00 68.91 19 A 1 ATOM 146 N NE1 . TRP A 1 19 ? 11.316 3.550 -1.257 1.00 62.48 19 A 1 ATOM 147 C CE2 . TRP A 1 19 ? 12.130 2.991 -2.215 1.00 67.37 19 A 1 ATOM 148 C CE3 . TRP A 1 19 ? 14.445 3.155 -2.874 1.00 62.96 19 A 1 ATOM 149 C CZ2 . TRP A 1 19 ? 11.859 2.069 -3.213 1.00 64.38 19 A 1 ATOM 150 C CZ3 . TRP A 1 19 ? 14.177 2.237 -3.867 1.00 60.32 19 A 1 ATOM 151 C CH2 . TRP A 1 19 ? 12.895 1.695 -4.037 1.00 59.03 19 A 1 ATOM 152 N N . ALA A 1 20 ? 16.433 5.758 2.189 1.00 83.02 20 A 1 ATOM 153 C CA . ALA A 1 20 ? 17.385 6.645 2.845 1.00 81.44 20 A 1 ATOM 154 C C . ALA A 1 20 ? 18.047 5.955 4.034 1.00 78.44 20 A 1 ATOM 155 O O . ALA A 1 20 ? 17.334 5.540 4.954 1.00 73.93 20 A 1 ATOM 156 C CB . ALA A 1 20 ? 16.699 7.919 3.293 1.00 75.26 20 A 1 ATOM 157 O OXT . ALA A 1 20 ? 19.285 5.840 4.052 1.00 68.69 20 A 1 #