# 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_spkb14201 # _entry.id spkb14201 # 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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 VAL 2 1 n MET 3 1 n GLY 4 1 n LEU 5 1 n GLY 6 1 n LEU 7 1 n PHE 8 1 n LEU 9 1 n LEU 10 1 n VAL 11 1 n PHE 12 1 n MET 13 1 n LEU 14 1 n GLY 15 1 n LEU 16 1 n GLY 17 1 n LEU 18 1 n THR 19 1 n LEU 20 1 n PRO 21 1 n THR 22 1 n LEU 23 1 n ALA 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 @ 2025-07-07 16:47:31)" _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 88.31 _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 74.16 1 1 A VAL 2 2 83.62 1 2 A MET 3 2 83.49 1 3 A GLY 4 2 94.07 1 4 A LEU 5 2 89.14 1 5 A GLY 6 2 95.05 1 6 A LEU 7 2 91.91 1 7 A PHE 8 2 91.34 1 8 A LEU 9 2 91.08 1 9 A LEU 10 2 90.75 1 10 A VAL 11 2 93.28 1 11 A PHE 12 2 89.78 1 12 A MET 13 2 86.98 1 13 A LEU 14 2 90.14 1 14 A GLY 15 2 93.96 1 15 A LEU 16 2 89.62 1 16 A GLY 17 2 93.36 1 17 A LEU 18 2 89.62 1 18 A THR 19 2 89.61 1 19 A LEU 20 2 88.19 1 20 A PRO 21 2 91.08 1 21 A THR 22 2 83.79 1 22 A LEU 23 2 83.90 1 23 A ALA 24 2 79.05 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 VAL . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n GLY . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n THR . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n ALA . 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 ? -17.147 -7.115 3.920 1.00 79.35 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.150 -6.210 3.316 1.00 82.62 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.145 -6.337 1.799 1.00 83.89 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.274 -7.436 1.266 1.00 78.38 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.749 -6.531 3.843 1.00 74.36 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.527 -6.033 5.260 1.00 69.64 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.881 -6.443 5.857 1.00 65.78 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.918 -5.671 7.471 1.00 59.23 1 A 1 ATOM 9 N N . VAL A 1 2 ? -16.000 -5.223 1.115 1.00 83.32 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -15.994 -5.197 -0.343 1.00 89.00 2 A 1 ATOM 11 C C . VAL A 1 2 ? -14.564 -5.312 -0.882 1.00 90.60 2 A 1 ATOM 12 O O . VAL A 1 2 ? -13.596 -5.129 -0.142 1.00 87.75 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -16.636 -3.901 -0.863 1.00 83.35 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -17.138 -4.086 -2.291 1.00 74.50 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -17.778 -3.459 0.037 1.00 76.84 2 A 1 ATOM 16 N N . MET A 1 3 ? -14.443 -5.619 -2.171 1.00 89.63 3 A 1 ATOM 17 C CA . MET A 1 3 ? -13.128 -5.747 -2.808 1.00 90.31 3 A 1 ATOM 18 C C . MET A 1 3 ? -12.372 -4.418 -2.803 1.00 91.78 3 A 1 ATOM 19 O O . MET A 1 3 ? -11.150 -4.393 -2.703 1.00 89.25 3 A 1 ATOM 20 C CB . MET A 1 3 ? -13.296 -6.233 -4.246 1.00 85.84 3 A 1 ATOM 21 C CG . MET A 1 3 ? -13.003 -7.713 -4.399 1.00 81.02 3 A 1 ATOM 22 S SD . MET A 1 3 ? -13.159 -8.260 -6.097 1.00 74.57 3 A 1 ATOM 23 C CE . MET A 1 3 ? -12.697 -9.971 -5.924 1.00 65.50 3 A 1 ATOM 24 N N . GLY A 1 4 ? -13.116 -3.329 -2.908 1.00 92.79 4 A 1 ATOM 25 C CA . GLY A 1 4 ? -12.511 -1.997 -2.916 1.00 94.19 4 A 1 ATOM 26 C C . GLY A 1 4 ? -11.745 -1.697 -1.645 1.00 95.22 4 A 1 ATOM 27 O O . GLY A 1 4 ? -10.718 -1.021 -1.670 1.00 94.09 4 A 1 ATOM 28 N N . LEU A 1 5 ? -12.239 -2.205 -0.522 1.00 93.18 5 A 1 ATOM 29 C CA . LEU A 1 5 ? -11.583 -1.998 0.769 1.00 93.38 5 A 1 ATOM 30 C C . LEU A 1 5 ? -10.241 -2.718 0.827 1.00 94.26 5 A 1 ATOM 31 O O . LEU A 1 5 ? -9.254 -2.176 1.321 1.00 92.67 5 A 1 ATOM 32 C CB . LEU A 1 5 ? -12.488 -2.489 1.901 1.00 91.97 5 A 1 ATOM 33 C CG . LEU A 1 5 ? -12.232 -1.801 3.238 1.00 85.78 5 A 1 ATOM 34 C CD1 . LEU A 1 5 ? -12.902 -0.437 3.269 1.00 82.07 5 A 1 ATOM 35 C CD2 . LEU A 1 5 ? -12.723 -2.664 4.384 1.00 79.84 5 A 1 ATOM 36 N N . GLY A 1 6 ? -10.217 -3.944 0.330 1.00 94.80 6 A 1 ATOM 37 C CA . GLY A 1 6 ? -8.982 -4.724 0.314 1.00 95.02 6 A 1 ATOM 38 C C . GLY A 1 6 ? -7.902 -4.070 -0.521 1.00 95.61 6 A 1 ATOM 39 O O . GLY A 1 6 ? -6.722 -4.106 -0.172 1.00 94.75 6 A 1 ATOM 40 N N . LEU A 1 7 ? -8.317 -3.466 -1.630 1.00 95.26 7 A 1 ATOM 41 C CA . LEU A 1 7 ? -7.375 -2.779 -2.514 1.00 95.49 7 A 1 ATOM 42 C C . LEU A 1 7 ? -6.816 -1.530 -1.844 1.00 95.84 7 A 1 ATOM 43 O O . LEU A 1 7 ? -5.624 -1.237 -1.943 1.00 95.19 7 A 1 ATOM 44 C CB . LEU A 1 7 ? -8.074 -2.396 -3.821 1.00 94.92 7 A 1 ATOM 45 C CG . LEU A 1 7 ? -7.126 -2.253 -5.005 1.00 88.20 7 A 1 ATOM 46 C CD1 . LEU A 1 7 ? -6.947 -3.587 -5.706 1.00 85.38 7 A 1 ATOM 47 C CD2 . LEU A 1 7 ? -7.640 -1.205 -5.975 1.00 85.02 7 A 1 ATOM 48 N N . PHE A 1 8 ? -7.690 -0.805 -1.156 1.00 94.42 8 A 1 ATOM 49 C CA . PHE A 1 8 ? -7.290 0.411 -0.446 1.00 93.85 8 A 1 ATOM 50 C C . PHE A 1 8 ? -6.270 0.092 0.646 1.00 94.23 8 A 1 ATOM 51 O O . PHE A 1 8 ? -5.300 0.827 0.837 1.00 93.46 8 A 1 ATOM 52 C CB . PHE A 1 8 ? -8.522 1.073 0.166 1.00 93.75 8 A 1 ATOM 53 C CG . PHE A 1 8 ? -8.177 2.045 1.265 1.00 92.31 8 A 1 ATOM 54 C CD1 . PHE A 1 8 ? -7.563 3.251 0.966 1.00 88.57 8 A 1 ATOM 55 C CD2 . PHE A 1 8 ? -8.467 1.743 2.583 1.00 89.02 8 A 1 ATOM 56 C CE1 . PHE A 1 8 ? -7.240 4.148 1.972 1.00 88.04 8 A 1 ATOM 57 C CE2 . PHE A 1 8 ? -8.141 2.637 3.594 1.00 88.03 8 A 1 ATOM 58 C CZ . PHE A 1 8 ? -7.526 3.840 3.293 1.00 89.07 8 A 1 ATOM 59 N N . LEU A 1 9 ? -6.505 -0.996 1.359 1.00 95.10 9 A 1 ATOM 60 C CA . LEU A 1 9 ? -5.600 -1.420 2.428 1.00 94.63 9 A 1 ATOM 61 C C . LEU A 1 9 ? -4.242 -1.820 1.859 1.00 94.84 9 A 1 ATOM 62 O O . LEU A 1 9 ? -3.200 -1.577 2.464 1.00 94.14 9 A 1 ATOM 63 C CB . LEU A 1 9 ? -6.220 -2.590 3.202 1.00 94.19 9 A 1 ATOM 64 C CG . LEU A 1 9 ? -6.508 -2.292 4.674 1.00 87.16 9 A 1 ATOM 65 C CD1 . LEU A 1 9 ? -5.228 -1.957 5.411 1.00 84.19 9 A 1 ATOM 66 C CD2 . LEU A 1 9 ? -7.510 -1.157 4.795 1.00 84.35 9 A 1 ATOM 67 N N . LEU A 1 10 ? -4.274 -2.441 0.695 1.00 93.96 10 A 1 ATOM 68 C CA . LEU A 1 10 ? -3.047 -2.875 0.032 1.00 93.71 10 A 1 ATOM 69 C C . LEU A 1 10 ? -2.214 -1.687 -0.433 1.00 94.40 10 A 1 ATOM 70 O O . LEU A 1 10 ? -1.002 -1.636 -0.212 1.00 93.98 10 A 1 ATOM 71 C CB . LEU A 1 10 ? -3.393 -3.770 -1.162 1.00 93.40 10 A 1 ATOM 72 C CG . LEU A 1 10 ? -2.944 -5.225 -1.019 1.00 87.40 10 A 1 ATOM 73 C CD1 . LEU A 1 10 ? -3.422 -6.047 -2.210 1.00 84.44 10 A 1 ATOM 74 C CD2 . LEU A 1 10 ? -1.430 -5.302 -0.895 1.00 84.74 10 A 1 ATOM 75 N N . VAL A 1 11 ? -2.877 -0.738 -1.086 1.00 94.32 11 A 1 ATOM 76 C CA . VAL A 1 11 ? -2.184 0.454 -1.590 1.00 94.40 11 A 1 ATOM 77 C C . VAL A 1 11 ? -1.634 1.292 -0.441 1.00 94.65 11 A 1 ATOM 78 O O . VAL A 1 11 ? -0.571 1.904 -0.557 1.00 93.92 11 A 1 ATOM 79 C CB . VAL A 1 11 ? -3.127 1.299 -2.468 1.00 93.89 11 A 1 ATOM 80 C CG1 . VAL A 1 11 ? -4.243 1.917 -1.639 1.00 91.25 11 A 1 ATOM 81 C CG2 . VAL A 1 11 ? -2.353 2.391 -3.187 1.00 90.56 11 A 1 ATOM 82 N N . PHE A 1 12 ? -2.357 1.306 0.669 1.00 93.32 12 A 1 ATOM 83 C CA . PHE A 1 12 ? -1.926 2.046 1.853 1.00 92.66 12 A 1 ATOM 84 C C . PHE A 1 12 ? -0.680 1.412 2.463 1.00 93.25 12 A 1 ATOM 85 O O . PHE A 1 12 ? 0.274 2.102 2.827 1.00 92.44 12 A 1 ATOM 86 C CB . PHE A 1 12 ? -3.056 2.075 2.880 1.00 92.42 12 A 1 ATOM 87 C CG . PHE A 1 12 ? -2.586 2.468 4.254 1.00 90.76 12 A 1 ATOM 88 C CD1 . PHE A 1 12 ? -2.178 3.766 4.512 1.00 86.75 12 A 1 ATOM 89 C CD2 . PHE A 1 12 ? -2.558 1.533 5.274 1.00 87.08 12 A 1 ATOM 90 C CE1 . PHE A 1 12 ? -1.744 4.132 5.772 1.00 85.83 12 A 1 ATOM 91 C CE2 . PHE A 1 12 ? -2.121 1.893 6.540 1.00 86.25 12 A 1 ATOM 92 C CZ . PHE A 1 12 ? -1.712 3.192 6.794 1.00 86.79 12 A 1 ATOM 93 N N . MET A 1 13 ? -0.702 0.093 2.582 1.00 92.79 13 A 1 ATOM 94 C CA . MET A 1 13 ? 0.439 -0.644 3.129 1.00 91.77 13 A 1 ATOM 95 C C . MET A 1 13 ? 1.670 -0.489 2.241 1.00 92.35 13 A 1 ATOM 96 O O . MET A 1 13 ? 2.796 -0.442 2.729 1.00 90.62 13 A 1 ATOM 97 C CB . MET A 1 13 ? 0.088 -2.125 3.267 1.00 90.43 13 A 1 ATOM 98 C CG . MET A 1 13 ? -0.558 -2.453 4.602 1.00 87.26 13 A 1 ATOM 99 S SD . MET A 1 13 ? -0.524 -4.209 4.944 1.00 79.00 13 A 1 ATOM 100 C CE . MET A 1 13 ? -1.222 -4.249 6.584 1.00 71.64 13 A 1 ATOM 101 N N . LEU A 1 14 ? 1.436 -0.423 0.944 1.00 92.74 14 A 1 ATOM 102 C CA . LEU A 1 14 ? 2.526 -0.262 -0.014 1.00 93.08 14 A 1 ATOM 103 C C . LEU A 1 14 ? 3.168 1.112 0.119 1.00 94.23 14 A 1 ATOM 104 O O . LEU A 1 14 ? 4.391 1.241 0.083 1.00 93.11 14 A 1 ATOM 105 C CB . LEU A 1 14 ? 1.999 -0.459 -1.437 1.00 92.54 14 A 1 ATOM 106 C CG . LEU A 1 14 ? 3.082 -0.718 -2.474 1.00 87.93 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? 2.738 -1.943 -3.305 1.00 84.01 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? 3.271 0.491 -3.364 1.00 83.50 14 A 1 ATOM 109 N N . GLY A 1 15 ? 2.337 2.132 0.268 1.00 93.57 15 A 1 ATOM 110 C CA . GLY A 1 15 ? 2.840 3.494 0.424 1.00 93.62 15 A 1 ATOM 111 C C . GLY A 1 15 ? 3.582 3.693 1.729 1.00 94.79 15 A 1 ATOM 112 O O . GLY A 1 15 ? 4.588 4.402 1.781 1.00 93.84 15 A 1 ATOM 113 N N . LEU A 1 16 ? 3.089 3.066 2.784 1.00 93.15 16 A 1 ATOM 114 C CA . LEU A 1 16 ? 3.709 3.174 4.103 1.00 92.81 16 A 1 ATOM 115 C C . LEU A 1 16 ? 4.967 2.319 4.194 1.00 93.50 16 A 1 ATOM 116 O O . LEU A 1 16 ? 5.995 2.758 4.716 1.00 91.57 16 A 1 ATOM 117 C CB . LEU A 1 16 ? 2.705 2.763 5.180 1.00 91.45 16 A 1 ATOM 118 C CG . LEU A 1 16 ? 3.128 3.146 6.595 1.00 87.97 16 A 1 ATOM 119 C CD1 . LEU A 1 16 ? 1.924 3.577 7.410 1.00 84.10 16 A 1 ATOM 120 C CD2 . LEU A 1 16 ? 3.844 1.991 7.271 1.00 82.43 16 A 1 ATOM 121 N N . GLY A 1 17 ? 4.881 1.104 3.685 1.00 93.13 17 A 1 ATOM 122 C CA . GLY A 1 17 ? 6.020 0.188 3.705 1.00 93.19 17 A 1 ATOM 123 C C . GLY A 1 17 ? 7.046 0.502 2.640 1.00 94.23 17 A 1 ATOM 124 O O . GLY A 1 17 ? 7.985 -0.263 2.433 1.00 92.90 17 A 1 ATOM 125 N N . LEU A 1 18 ? 6.865 1.600 1.945 1.00 93.20 18 A 1 ATOM 126 C CA . LEU A 1 18 ? 7.792 2.028 0.897 1.00 93.25 18 A 1 ATOM 127 C C . LEU A 1 18 ? 8.825 3.007 1.441 1.00 93.88 18 A 1 ATOM 128 O O . LEU A 1 18 ? 10.016 2.907 1.138 1.00 91.37 18 A 1 ATOM 129 C CB . LEU A 1 18 ? 7.011 2.675 -0.250 1.00 91.93 18 A 1 ATOM 130 C CG . LEU A 1 18 ? 7.839 3.520 -1.205 1.00 87.93 18 A 1 ATOM 131 C CD1 . LEU A 1 18 ? 8.702 2.635 -2.089 1.00 83.71 18 A 1 ATOM 132 C CD2 . LEU A 1 18 ? 6.930 4.395 -2.056 1.00 81.65 18 A 1 ATOM 133 N N . THR A 1 19 ? 8.381 3.960 2.236 1.00 93.18 19 A 1 ATOM 134 C CA . THR A 1 19 ? 9.264 4.970 2.814 1.00 92.80 19 A 1 ATOM 135 C C . THR A 1 19 ? 9.925 4.481 4.101 1.00 93.25 19 A 1 ATOM 136 O O . THR A 1 19 ? 10.929 5.040 4.540 1.00 91.02 19 A 1 ATOM 137 C CB . THR A 1 19 ? 8.486 6.261 3.098 1.00 90.59 19 A 1 ATOM 138 O OG1 . THR A 1 19 ? 9.344 7.203 3.737 1.00 84.62 19 A 1 ATOM 139 C CG2 . THR A 1 19 ? 7.296 6.003 3.997 1.00 81.79 19 A 1 ATOM 140 N N . LEU A 1 20 ? 9.367 3.438 4.690 1.00 92.88 20 A 1 ATOM 141 C CA . LEU A 1 20 ? 9.901 2.879 5.930 1.00 92.78 20 A 1 ATOM 142 C C . LEU A 1 20 ? 11.236 2.170 5.713 1.00 93.32 20 A 1 ATOM 143 O O . LEU A 1 20 ? 12.227 2.504 6.368 1.00 91.33 20 A 1 ATOM 144 C CB . LEU A 1 20 ? 8.877 1.930 6.556 1.00 90.95 20 A 1 ATOM 145 C CG . LEU A 1 20 ? 8.599 2.177 8.027 1.00 85.34 20 A 1 ATOM 146 C CD1 . LEU A 1 20 ? 7.185 1.748 8.380 1.00 80.41 20 A 1 ATOM 147 C CD2 . LEU A 1 20 ? 9.609 1.444 8.886 1.00 78.48 20 A 1 ATOM 148 N N . PRO A 1 21 ? 11.285 1.188 4.799 1.00 92.66 21 A 1 ATOM 149 C CA . PRO A 1 21 ? 12.526 0.445 4.541 1.00 92.45 21 A 1 ATOM 150 C C . PRO A 1 21 ? 13.627 1.312 3.953 1.00 93.02 21 A 1 ATOM 151 O O . PRO A 1 21 ? 14.810 1.022 4.126 1.00 90.04 21 A 1 ATOM 152 C CB . PRO A 1 21 ? 12.101 -0.632 3.538 1.00 89.84 21 A 1 ATOM 153 C CG . PRO A 1 21 ? 10.893 -0.077 2.874 1.00 88.27 21 A 1 ATOM 154 C CD . PRO A 1 21 ? 10.193 0.747 3.921 1.00 91.29 21 A 1 ATOM 155 N N . THR A 1 22 ? 13.250 2.368 3.254 1.00 87.71 22 A 1 ATOM 156 C CA . THR A 1 22 ? 14.225 3.269 2.640 1.00 87.21 22 A 1 ATOM 157 C C . THR A 1 22 ? 15.014 4.034 3.692 1.00 87.84 22 A 1 ATOM 158 O O . THR A 1 22 ? 16.238 4.126 3.607 1.00 84.85 22 A 1 ATOM 159 C CB . THR A 1 22 ? 13.534 4.266 1.701 1.00 84.61 22 A 1 ATOM 160 O OG1 . THR A 1 22 ? 12.421 4.850 2.358 1.00 78.12 22 A 1 ATOM 161 C CG2 . THR A 1 22 ? 13.078 3.593 0.429 1.00 76.18 22 A 1 ATOM 162 N N . LEU A 1 23 ? 14.313 4.589 4.675 1.00 88.31 23 A 1 ATOM 163 C CA . LEU A 1 23 ? 14.948 5.348 5.752 1.00 88.48 23 A 1 ATOM 164 C C . LEU A 1 23 ? 14.883 4.613 7.087 1.00 89.70 23 A 1 ATOM 165 O O . LEU A 1 23 ? 15.197 5.185 8.132 1.00 86.92 23 A 1 ATOM 166 C CB . LEU A 1 23 ? 14.287 6.722 5.880 1.00 86.18 23 A 1 ATOM 167 C CG . LEU A 1 23 ? 14.750 7.737 4.843 1.00 81.63 23 A 1 ATOM 168 C CD1 . LEU A 1 23 ? 13.589 8.257 4.022 1.00 76.69 23 A 1 ATOM 169 C CD2 . LEU A 1 23 ? 15.466 8.894 5.537 1.00 73.26 23 A 1 ATOM 170 N N . ALA A 1 24 ? 14.470 3.355 7.042 1.00 85.74 24 A 1 ATOM 171 C CA . ALA A 1 24 ? 14.346 2.546 8.246 1.00 84.20 24 A 1 ATOM 172 C C . ALA A 1 24 ? 15.721 2.209 8.828 1.00 80.59 24 A 1 ATOM 173 O O . ALA A 1 24 ? 16.661 1.982 8.060 1.00 76.35 24 A 1 ATOM 174 C CB . ALA A 1 24 ? 13.565 1.278 7.953 1.00 77.41 24 A 1 ATOM 175 O OXT . ALA A 1 24 ? 15.837 2.134 10.058 1.00 69.99 24 A 1 #