# 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_spkb17507 # _entry.id spkb17507 # 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" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[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" "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" "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 ARG 2 1 n PHE 3 1 n PRO 4 1 n SER 5 1 n ILE 6 1 n PHE 7 1 n THR 8 1 n ALA 9 1 n VAL 10 1 n LEU 11 1 n PHE 12 1 n ALA 13 1 n ALA 14 1 n SER 15 1 n SER 16 1 n ALA 17 1 n LEU 18 1 n ALA 19 # _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 @ 2025-07-09 12:28:51)" _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 90.59 _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 83.15 1 1 A ARG 2 2 78.44 1 2 A PHE 3 2 83.72 1 3 A PRO 4 2 90.54 1 4 A SER 5 2 92.18 1 5 A ILE 6 2 91.11 1 6 A PHE 7 2 91.37 1 7 A THR 8 2 94.16 1 8 A ALA 9 2 96.23 1 9 A VAL 10 2 95.87 1 10 A LEU 11 2 93.66 1 11 A PHE 12 2 93.41 1 12 A ALA 13 2 97.01 1 13 A ALA 14 2 96.71 1 14 A SER 15 2 95.07 1 15 A SER 16 2 95.38 1 16 A ALA 17 2 95.31 1 17 A LEU 18 2 88.60 1 18 A ALA 19 2 86.43 1 19 # _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 ARG . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ALA . 19 A 19 # _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 ? -14.828 -1.689 -0.639 1.00 88.31 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.432 -2.066 -0.351 1.00 89.07 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.491 -0.911 -0.692 1.00 90.37 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.232 -0.648 -1.861 1.00 87.44 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.044 -3.294 -1.173 1.00 85.26 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.826 -4.522 -0.749 1.00 80.12 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.514 -5.920 -1.847 1.00 77.34 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.544 -7.157 -1.087 1.00 67.30 1 A 1 ATOM 9 N N . ARG A 1 2 ? -12.017 -0.224 0.328 1.00 85.22 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -11.130 0.918 0.137 1.00 88.19 2 A 1 ATOM 11 C C . ARG A 1 2 ? -9.689 0.597 0.521 1.00 89.61 2 A 1 ATOM 12 O O . ARG A 1 2 ? -8.756 1.075 -0.116 1.00 86.93 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -11.634 2.097 0.977 1.00 83.96 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -12.740 2.865 0.312 1.00 78.31 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -12.177 3.911 -0.644 1.00 76.98 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -12.486 3.590 -2.033 1.00 71.98 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -11.992 4.256 -3.070 1.00 70.26 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -11.154 5.260 -2.884 1.00 65.13 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -12.333 3.908 -4.292 1.00 66.26 2 A 1 ATOM 20 N N . PHE A 1 3 ? -9.514 -0.204 1.545 1.00 86.91 3 A 1 ATOM 21 C CA . PHE A 1 3 ? -8.181 -0.543 2.035 1.00 87.84 3 A 1 ATOM 22 C C . PHE A 1 3 ? -8.013 -2.046 2.273 1.00 90.80 3 A 1 ATOM 23 O O . PHE A 1 3 ? -7.740 -2.488 3.391 1.00 88.87 3 A 1 ATOM 24 C CB . PHE A 1 3 ? -7.898 0.220 3.328 1.00 85.33 3 A 1 ATOM 25 C CG . PHE A 1 3 ? -8.905 -0.040 4.410 1.00 82.92 3 A 1 ATOM 26 C CD1 . PHE A 1 3 ? -10.143 0.578 4.387 1.00 80.74 3 A 1 ATOM 27 C CD2 . PHE A 1 3 ? -8.614 -0.905 5.450 1.00 80.08 3 A 1 ATOM 28 C CE1 . PHE A 1 3 ? -11.079 0.337 5.376 1.00 79.49 3 A 1 ATOM 29 C CE2 . PHE A 1 3 ? -9.541 -1.156 6.446 1.00 79.07 3 A 1 ATOM 30 C CZ . PHE A 1 3 ? -10.776 -0.532 6.405 1.00 78.84 3 A 1 ATOM 31 N N . PRO A 1 4 ? -8.152 -2.855 1.218 1.00 91.08 4 A 1 ATOM 32 C CA . PRO A 1 4 ? -7.999 -4.303 1.341 1.00 91.81 4 A 1 ATOM 33 C C . PRO A 1 4 ? -6.548 -4.694 1.609 1.00 94.38 4 A 1 ATOM 34 O O . PRO A 1 4 ? -5.646 -3.864 1.497 1.00 92.75 4 A 1 ATOM 35 C CB . PRO A 1 4 ? -8.472 -4.830 -0.017 1.00 88.00 4 A 1 ATOM 36 C CG . PRO A 1 4 ? -8.243 -3.704 -0.957 1.00 86.15 4 A 1 ATOM 37 C CD . PRO A 1 4 ? -8.453 -2.447 -0.148 1.00 89.59 4 A 1 ATOM 38 N N . SER A 1 5 ? -6.330 -5.946 1.941 1.00 93.48 5 A 1 ATOM 39 C CA . SER A 1 5 ? -4.984 -6.444 2.224 1.00 94.66 5 A 1 ATOM 40 C C . SER A 1 5 ? -4.057 -6.250 1.026 1.00 96.00 5 A 1 ATOM 41 O O . SER A 1 5 ? -2.868 -5.985 1.184 1.00 94.70 5 A 1 ATOM 42 C CB . SER A 1 5 ? -5.042 -7.926 2.594 1.00 92.24 5 A 1 ATOM 43 O OG . SER A 1 5 ? -5.747 -8.104 3.801 1.00 82.01 5 A 1 ATOM 44 N N . ILE A 1 6 ? -4.618 -6.382 -0.177 1.00 92.98 6 A 1 ATOM 45 C CA . ILE A 1 6 ? -3.844 -6.206 -1.401 1.00 93.93 6 A 1 ATOM 46 C C . ILE A 1 6 ? -3.327 -4.774 -1.517 1.00 95.25 6 A 1 ATOM 47 O O . ILE A 1 6 ? -2.177 -4.544 -1.891 1.00 94.35 6 A 1 ATOM 48 C CB . ILE A 1 6 ? -4.688 -6.562 -2.634 1.00 93.40 6 A 1 ATOM 49 C CG1 . ILE A 1 6 ? -5.194 -7.997 -2.535 1.00 88.60 6 A 1 ATOM 50 C CG2 . ILE A 1 6 ? -3.857 -6.370 -3.908 1.00 88.26 6 A 1 ATOM 51 C CD1 . ILE A 1 6 ? -6.669 -8.082 -2.219 1.00 82.12 6 A 1 ATOM 52 N N . PHE A 1 7 ? -4.185 -3.820 -1.191 1.00 94.11 7 A 1 ATOM 53 C CA . PHE A 1 7 ? -3.817 -2.410 -1.256 1.00 93.82 7 A 1 ATOM 54 C C . PHE A 1 7 ? -2.657 -2.114 -0.314 1.00 95.12 7 A 1 ATOM 55 O O . PHE A 1 7 ? -1.724 -1.394 -0.669 1.00 95.19 7 A 1 ATOM 56 C CB . PHE A 1 7 ? -5.019 -1.543 -0.890 1.00 93.65 7 A 1 ATOM 57 C CG . PHE A 1 7 ? -4.766 -0.077 -1.101 1.00 91.62 7 A 1 ATOM 58 C CD1 . PHE A 1 7 ? -4.699 0.446 -2.382 1.00 88.64 7 A 1 ATOM 59 C CD2 . PHE A 1 7 ? -4.596 0.770 -0.019 1.00 88.86 7 A 1 ATOM 60 C CE1 . PHE A 1 7 ? -4.461 1.795 -2.585 1.00 87.64 7 A 1 ATOM 61 C CE2 . PHE A 1 7 ? -4.355 2.124 -0.212 1.00 88.20 7 A 1 ATOM 62 C CZ . PHE A 1 7 ? -4.288 2.637 -1.498 1.00 88.25 7 A 1 ATOM 63 N N . THR A 1 8 ? -2.714 -2.670 0.869 1.00 95.81 8 A 1 ATOM 64 C CA . THR A 1 8 ? -1.660 -2.471 1.861 1.00 95.68 8 A 1 ATOM 65 C C . THR A 1 8 ? -0.342 -3.062 1.368 1.00 96.40 8 A 1 ATOM 66 O O . THR A 1 8 ? 0.721 -2.468 1.552 1.00 96.23 8 A 1 ATOM 67 C CB . THR A 1 8 ? -2.041 -3.127 3.193 1.00 95.00 8 A 1 ATOM 68 O OG1 . THR A 1 8 ? -3.377 -2.783 3.532 1.00 90.56 8 A 1 ATOM 69 C CG2 . THR A 1 8 ? -1.114 -2.668 4.302 1.00 89.45 8 A 1 ATOM 70 N N . ALA A 1 9 ? -0.415 -4.220 0.745 1.00 96.07 9 A 1 ATOM 71 C CA . ALA A 1 9 ? 0.773 -4.885 0.220 1.00 96.23 9 A 1 ATOM 72 C C . ALA A 1 9 ? 1.419 -4.062 -0.890 1.00 96.95 9 A 1 ATOM 73 O O . ALA A 1 9 ? 2.641 -3.910 -0.933 1.00 96.24 9 A 1 ATOM 74 C CB . ALA A 1 9 ? 0.401 -6.269 -0.304 1.00 95.66 9 A 1 ATOM 75 N N . VAL A 1 10 ? 0.595 -3.534 -1.784 1.00 96.47 10 A 1 ATOM 76 C CA . VAL A 1 10 ? 1.088 -2.719 -2.894 1.00 96.70 10 A 1 ATOM 77 C C . VAL A 1 10 ? 1.704 -1.425 -2.371 1.00 97.08 10 A 1 ATOM 78 O O . VAL A 1 10 ? 2.756 -0.990 -2.845 1.00 96.71 10 A 1 ATOM 79 C CB . VAL A 1 10 ? -0.046 -2.398 -3.884 1.00 96.35 10 A 1 ATOM 80 C CG1 . VAL A 1 10 ? 0.444 -1.469 -4.984 1.00 94.04 10 A 1 ATOM 81 C CG2 . VAL A 1 10 ? -0.595 -3.679 -4.493 1.00 93.77 10 A 1 ATOM 82 N N . LEU A 1 11 ? 1.057 -0.824 -1.405 1.00 96.12 11 A 1 ATOM 83 C CA . LEU A 1 11 ? 1.548 0.412 -0.806 1.00 95.69 11 A 1 ATOM 84 C C . LEU A 1 11 ? 2.899 0.191 -0.134 1.00 96.18 11 A 1 ATOM 85 O O . LEU A 1 11 ? 3.811 1.008 -0.263 1.00 96.26 11 A 1 ATOM 86 C CB . LEU A 1 11 ? 0.540 0.928 0.221 1.00 95.41 11 A 1 ATOM 87 C CG . LEU A 1 11 ? 0.858 2.313 0.768 1.00 91.75 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? 0.567 3.380 -0.277 1.00 89.31 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? 0.062 2.578 2.031 1.00 88.59 11 A 1 ATOM 90 N N . PHE A 1 12 ? 3.021 -0.897 0.576 1.00 96.40 12 A 1 ATOM 91 C CA . PHE A 1 12 ? 4.264 -1.235 1.260 1.00 96.15 12 A 1 ATOM 92 C C . PHE A 1 12 ? 5.384 -1.476 0.254 1.00 97.07 12 A 1 ATOM 93 O O . PHE A 1 12 ? 6.513 -1.014 0.440 1.00 96.92 12 A 1 ATOM 94 C CB . PHE A 1 12 ? 4.054 -2.481 2.119 1.00 95.47 12 A 1 ATOM 95 C CG . PHE A 1 12 ? 5.141 -2.671 3.147 1.00 93.19 12 A 1 ATOM 96 C CD1 . PHE A 1 12 ? 5.190 -1.867 4.275 1.00 91.28 12 A 1 ATOM 97 C CD2 . PHE A 1 12 ? 6.102 -3.656 2.986 1.00 91.42 12 A 1 ATOM 98 C CE1 . PHE A 1 12 ? 6.186 -2.036 5.226 1.00 89.96 12 A 1 ATOM 99 C CE2 . PHE A 1 12 ? 7.105 -3.831 3.930 1.00 89.82 12 A 1 ATOM 100 C CZ . PHE A 1 12 ? 7.147 -3.018 5.052 1.00 89.80 12 A 1 ATOM 101 N N . ALA A 1 13 ? 5.065 -2.191 -0.814 1.00 97.10 13 A 1 ATOM 102 C CA . ALA A 1 13 ? 6.045 -2.478 -1.857 1.00 97.07 13 A 1 ATOM 103 C C . ALA A 1 13 ? 6.487 -1.201 -2.564 1.00 97.54 13 A 1 ATOM 104 O O . ALA A 1 13 ? 7.673 -1.014 -2.842 1.00 96.81 13 A 1 ATOM 105 C CB . ALA A 1 13 ? 5.455 -3.459 -2.867 1.00 96.53 13 A 1 ATOM 106 N N . ALA A 1 14 ? 5.538 -0.325 -2.849 1.00 97.23 14 A 1 ATOM 107 C CA . ALA A 1 14 ? 5.832 0.937 -3.521 1.00 96.85 14 A 1 ATOM 108 C C . ALA A 1 14 ? 6.715 1.827 -2.654 1.00 97.30 14 A 1 ATOM 109 O O . ALA A 1 14 ? 7.663 2.441 -3.143 1.00 96.32 14 A 1 ATOM 110 C CB . ALA A 1 14 ? 4.534 1.656 -3.861 1.00 95.86 14 A 1 ATOM 111 N N . SER A 1 15 ? 6.414 1.891 -1.367 1.00 97.61 15 A 1 ATOM 112 C CA . SER A 1 15 ? 7.189 2.696 -0.426 1.00 97.22 15 A 1 ATOM 113 C C . SER A 1 15 ? 8.613 2.165 -0.301 1.00 97.53 15 A 1 ATOM 114 O O . SER A 1 15 ? 9.571 2.932 -0.212 1.00 96.22 15 A 1 ATOM 115 C CB . SER A 1 15 ? 6.512 2.699 0.940 1.00 95.88 15 A 1 ATOM 116 O OG . SER A 1 15 ? 7.124 3.641 1.782 1.00 85.95 15 A 1 ATOM 117 N N . SER A 1 16 ? 8.751 0.859 -0.301 1.00 97.63 16 A 1 ATOM 118 C CA . SER A 1 16 ? 10.060 0.214 -0.204 1.00 97.53 16 A 1 ATOM 119 C C . SER A 1 16 ? 10.889 0.469 -1.458 1.00 97.65 16 A 1 ATOM 120 O O . SER A 1 16 ? 12.107 0.645 -1.387 1.00 96.10 16 A 1 ATOM 121 C CB . SER A 1 16 ? 9.892 -1.289 0.010 1.00 96.33 16 A 1 ATOM 122 O OG . SER A 1 16 ? 11.129 -1.882 0.323 1.00 87.03 16 A 1 ATOM 123 N N . ALA A 1 17 ? 10.234 0.484 -2.611 1.00 96.34 17 A 1 ATOM 124 C CA . ALA A 1 17 ? 10.910 0.720 -3.885 1.00 95.68 17 A 1 ATOM 125 C C . ALA A 1 17 ? 11.383 2.168 -4.005 1.00 96.09 17 A 1 ATOM 126 O O . ALA A 1 17 ? 12.441 2.437 -4.577 1.00 94.08 17 A 1 ATOM 127 C CB . ALA A 1 17 ? 9.979 0.373 -5.041 1.00 94.36 17 A 1 ATOM 128 N N . LEU A 1 18 ? 10.600 3.094 -3.466 1.00 94.91 18 A 1 ATOM 129 C CA . LEU A 1 18 ? 10.943 4.517 -3.507 1.00 93.86 18 A 1 ATOM 130 C C . LEU A 1 18 ? 12.152 4.824 -2.635 1.00 94.46 18 A 1 ATOM 131 O O . LEU A 1 18 ? 13.091 5.497 -3.065 1.00 91.97 18 A 1 ATOM 132 C CB . LEU A 1 18 ? 9.743 5.352 -3.060 1.00 90.94 18 A 1 ATOM 133 C CG . LEU A 1 18 ? 8.922 5.921 -4.214 1.00 84.73 18 A 1 ATOM 134 C CD1 . LEU A 1 18 ? 7.551 6.364 -3.734 1.00 80.70 18 A 1 ATOM 135 C CD2 . LEU A 1 18 ? 9.663 7.097 -4.836 1.00 77.25 18 A 1 ATOM 136 N N . ALA A 1 19 ? 12.135 4.333 -1.420 1.00 92.85 19 A 1 ATOM 137 C CA . ALA A 1 19 ? 13.215 4.569 -0.468 1.00 90.56 19 A 1 ATOM 138 C C . ALA A 1 19 ? 14.170 3.381 -0.420 1.00 88.65 19 A 1 ATOM 139 O O . ALA A 1 19 ? 13.861 2.382 0.242 1.00 83.86 19 A 1 ATOM 140 C CB . ALA A 1 19 ? 12.642 4.850 0.910 1.00 85.38 19 A 1 ATOM 141 O OXT . ALA A 1 19 ? 15.240 3.451 -1.051 1.00 77.27 19 A 1 #