# 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_spkb43851 # _entry.id spkb43851 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)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" "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" "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 ILE 2 1 n ASP 3 1 n ASP 4 1 n HIS 5 1 n GLU 6 1 n ALA 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n VAL 12 1 n LEU 13 1 n SER 14 1 n SER 15 1 n GLY 16 1 n PRO 17 1 n ALA 18 1 n ALA 19 1 n LEU 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 @ 2025-07-09 23:51:25)" _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 83.62 _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 74.06 1 1 A ILE 2 2 80.57 1 2 A ASP 3 2 83.45 1 3 A ASP 4 2 87.44 1 4 A HIS 5 2 85.75 1 5 A GLU 6 2 84.40 1 6 A ALA 7 2 90.14 1 7 A LEU 8 2 86.36 1 8 A LEU 9 2 87.00 1 9 A LEU 10 2 86.87 1 10 A LEU 11 2 87.22 1 11 A VAL 12 2 88.11 1 12 A LEU 13 2 88.55 1 13 A SER 14 2 88.19 1 14 A SER 15 2 85.39 1 15 A GLY 16 2 82.29 1 16 A PRO 17 2 82.53 1 17 A ALA 18 2 77.36 1 18 A ALA 19 2 74.94 1 19 A LEU 20 2 70.97 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 ILE . 2 A 2 A 3 1 n ASP . 3 A 3 A 4 1 n ASP . 4 A 4 A 5 1 n HIS . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n ALA . 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 LEU . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n LEU . 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 ? -11.559 4.844 10.433 1.00 77.57 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.345 4.012 10.498 1.00 83.06 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.086 3.374 9.139 1.00 84.45 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.992 2.808 8.544 1.00 78.38 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.496 2.913 11.566 1.00 75.74 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.259 2.035 11.714 1.00 69.11 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.429 0.765 12.984 1.00 65.51 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.524 1.769 14.464 1.00 58.66 1 A 1 ATOM 9 N N . ILE A 1 2 ? -8.846 3.476 8.647 1.00 81.87 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -8.489 2.899 7.354 1.00 86.36 2 A 1 ATOM 11 C C . ILE A 1 2 ? -8.088 1.436 7.518 1.00 88.46 2 A 1 ATOM 12 O O . ILE A 1 2 ? -7.658 1.012 8.591 1.00 86.35 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -7.353 3.686 6.663 1.00 82.14 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -6.074 3.660 7.499 1.00 77.15 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -7.795 5.119 6.395 1.00 74.21 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -4.884 4.324 6.803 1.00 68.05 2 A 1 ATOM 17 N N . ASP A 1 3 ? -8.228 0.669 6.431 1.00 84.83 3 A 1 ATOM 18 C CA . ASP A 1 3 ? -7.871 -0.743 6.427 1.00 90.24 3 A 1 ATOM 19 C C . ASP A 1 3 ? -6.350 -0.916 6.420 1.00 92.34 3 A 1 ATOM 20 O O . ASP A 1 3 ? -5.622 -0.041 5.947 1.00 89.27 3 A 1 ATOM 21 C CB . ASP A 1 3 ? -8.488 -1.420 5.201 1.00 85.28 3 A 1 ATOM 22 C CG . ASP A 1 3 ? -8.187 -2.897 5.143 1.00 76.83 3 A 1 ATOM 23 O OD1 . ASP A 1 3 ? -8.727 -3.638 5.983 1.00 74.35 3 A 1 ATOM 24 O OD2 . ASP A 1 3 ? -7.417 -3.304 4.257 1.00 74.46 3 A 1 ATOM 25 N N . ASP A 1 4 ? -5.862 -2.048 6.945 1.00 90.97 4 A 1 ATOM 26 C CA . ASP A 1 4 ? -4.422 -2.322 6.989 1.00 92.59 4 A 1 ATOM 27 C C . ASP A 1 4 ? -3.814 -2.342 5.588 1.00 93.38 4 A 1 ATOM 28 O O . ASP A 1 4 ? -2.675 -1.913 5.388 1.00 90.99 4 A 1 ATOM 29 C CB . ASP A 1 4 ? -4.151 -3.659 7.684 1.00 89.24 4 A 1 ATOM 30 C CG . ASP A 1 4 ? -4.420 -3.615 9.176 1.00 82.63 4 A 1 ATOM 31 O OD1 . ASP A 1 4 ? -4.417 -2.514 9.754 1.00 80.37 4 A 1 ATOM 32 O OD2 . ASP A 1 4 ? -4.614 -4.694 9.769 1.00 79.32 4 A 1 ATOM 33 N N . HIS A 1 5 ? -4.582 -2.842 4.618 1.00 90.63 5 A 1 ATOM 34 C CA . HIS A 1 5 ? -4.126 -2.874 3.227 1.00 91.98 5 A 1 ATOM 35 C C . HIS A 1 5 ? -3.939 -1.456 2.692 1.00 92.85 5 A 1 ATOM 36 O O . HIS A 1 5 ? -2.948 -1.160 2.019 1.00 90.34 5 A 1 ATOM 37 C CB . HIS A 1 5 ? -5.132 -3.642 2.362 1.00 89.81 5 A 1 ATOM 38 C CG . HIS A 1 5 ? -4.730 -3.736 0.921 1.00 86.75 5 A 1 ATOM 39 N ND1 . HIS A 1 5 ? -3.553 -4.304 0.506 1.00 78.54 5 A 1 ATOM 40 C CD2 . HIS A 1 5 ? -5.374 -3.325 -0.198 1.00 78.15 5 A 1 ATOM 41 C CE1 . HIS A 1 5 ? -3.481 -4.238 -0.816 1.00 78.70 5 A 1 ATOM 42 N NE2 . HIS A 1 5 ? -4.575 -3.650 -1.279 1.00 79.72 5 A 1 ATOM 43 N N . GLU A 1 6 ? -4.882 -0.575 3.012 1.00 89.39 6 A 1 ATOM 44 C CA . GLU A 1 6 ? -4.799 0.822 2.594 1.00 90.47 6 A 1 ATOM 45 C C . GLU A 1 6 ? -3.610 1.509 3.261 1.00 91.03 6 A 1 ATOM 46 O O . GLU A 1 6 ? -2.900 2.296 2.630 1.00 89.34 6 A 1 ATOM 47 C CB . GLU A 1 6 ? -6.095 1.554 2.943 1.00 88.36 6 A 1 ATOM 48 C CG . GLU A 1 6 ? -7.291 1.048 2.147 1.00 82.72 6 A 1 ATOM 49 C CD . GLU A 1 6 ? -8.583 1.724 2.559 1.00 80.07 6 A 1 ATOM 50 O OE1 . GLU A 1 6 ? -8.732 2.025 3.757 1.00 72.38 6 A 1 ATOM 51 O OE2 . GLU A 1 6 ? -9.436 1.951 1.688 1.00 75.80 6 A 1 ATOM 52 N N . ALA A 1 7 ? -3.376 1.209 4.533 1.00 90.80 7 A 1 ATOM 53 C CA . ALA A 1 7 ? -2.248 1.771 5.271 1.00 91.00 7 A 1 ATOM 54 C C . ALA A 1 7 ? -0.920 1.343 4.641 1.00 90.96 7 A 1 ATOM 55 O O . ALA A 1 7 ? 0.019 2.138 4.548 1.00 88.61 7 A 1 ATOM 56 C CB . ALA A 1 7 ? -2.306 1.337 6.732 1.00 89.35 7 A 1 ATOM 57 N N . LEU A 1 8 ? -0.845 0.090 4.203 1.00 88.46 8 A 1 ATOM 58 C CA . LEU A 1 8 ? 0.354 -0.433 3.549 1.00 88.72 8 A 1 ATOM 59 C C . LEU A 1 8 ? 0.629 0.308 2.245 1.00 89.35 8 A 1 ATOM 60 O O . LEU A 1 8 ? 1.769 0.694 1.970 1.00 87.92 8 A 1 ATOM 61 C CB . LEU A 1 8 ? 0.199 -1.937 3.280 1.00 87.14 8 A 1 ATOM 62 C CG . LEU A 1 8 ? 1.363 -2.593 2.537 1.00 84.12 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? 2.663 -2.443 3.307 1.00 83.40 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? 1.057 -4.065 2.294 1.00 81.80 8 A 1 ATOM 65 N N . LEU A 1 9 ? -0.418 0.511 1.451 1.00 88.40 9 A 1 ATOM 66 C CA . LEU A 1 9 ? -0.280 1.231 0.186 1.00 88.63 9 A 1 ATOM 67 C C . LEU A 1 9 ? 0.222 2.652 0.418 1.00 89.58 9 A 1 ATOM 68 O O . LEU A 1 9 ? 1.108 3.132 -0.295 1.00 89.00 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -1.620 1.264 -0.558 1.00 87.24 9 A 1 ATOM 70 C CG . LEU A 1 9 ? -2.105 -0.086 -1.085 1.00 84.74 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? -3.501 0.051 -1.672 1.00 84.64 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -1.146 -0.639 -2.132 1.00 83.79 9 A 1 ATOM 73 N N . LEU A 1 10 ? -0.332 3.315 1.424 1.00 88.29 10 A 1 ATOM 74 C CA . LEU A 1 10 ? 0.085 4.672 1.761 1.00 88.73 10 A 1 ATOM 75 C C . LEU A 1 10 ? 1.547 4.702 2.207 1.00 89.50 10 A 1 ATOM 76 O O . LEU A 1 10 ? 2.293 5.617 1.854 1.00 88.23 10 A 1 ATOM 77 C CB . LEU A 1 10 ? -0.812 5.243 2.862 1.00 87.34 10 A 1 ATOM 78 C CG . LEU A 1 10 ? -2.248 5.556 2.432 1.00 84.67 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? -3.082 5.953 3.641 1.00 84.33 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? -2.267 6.668 1.392 1.00 83.88 10 A 1 ATOM 81 N N . LEU A 1 11 ? 1.955 3.704 2.973 1.00 88.60 11 A 1 ATOM 82 C CA . LEU A 1 11 ? 3.334 3.601 3.447 1.00 88.90 11 A 1 ATOM 83 C C . LEU A 1 11 ? 4.304 3.463 2.279 1.00 89.76 11 A 1 ATOM 84 O O . LEU A 1 11 ? 5.320 4.159 2.221 1.00 88.15 11 A 1 ATOM 85 C CB . LEU A 1 11 ? 3.481 2.408 4.395 1.00 87.38 11 A 1 ATOM 86 C CG . LEU A 1 11 ? 4.900 2.148 4.907 1.00 85.30 11 A 1 ATOM 87 C CD1 . LEU A 1 11 ? 5.428 3.341 5.689 1.00 85.00 11 A 1 ATOM 88 C CD2 . LEU A 1 11 ? 4.918 0.899 5.778 1.00 84.65 11 A 1 ATOM 89 N N . VAL A 1 12 ? 3.992 2.562 1.349 1.00 88.52 12 A 1 ATOM 90 C CA . VAL A 1 12 ? 4.843 2.346 0.178 1.00 89.39 12 A 1 ATOM 91 C C . VAL A 1 12 ? 4.961 3.621 -0.653 1.00 90.09 12 A 1 ATOM 92 O O . VAL A 1 12 ? 6.063 4.019 -1.044 1.00 88.68 12 A 1 ATOM 93 C CB . VAL A 1 12 ? 4.304 1.190 -0.690 1.00 88.15 12 A 1 ATOM 94 C CG1 . VAL A 1 12 ? 5.077 1.082 -2.004 1.00 85.54 12 A 1 ATOM 95 C CG2 . VAL A 1 12 ? 4.404 -0.128 0.072 1.00 86.38 12 A 1 ATOM 96 N N . LEU A 1 13 ? 3.836 4.269 -0.903 1.00 91.07 13 A 1 ATOM 97 C CA . LEU A 1 13 ? 3.822 5.489 -1.705 1.00 90.62 13 A 1 ATOM 98 C C . LEU A 1 13 ? 4.588 6.624 -1.030 1.00 90.48 13 A 1 ATOM 99 O O . LEU A 1 13 ? 5.273 7.403 -1.698 1.00 88.24 13 A 1 ATOM 100 C CB . LEU A 1 13 ? 2.377 5.919 -1.981 1.00 89.21 13 A 1 ATOM 101 C CG . LEU A 1 13 ? 1.598 4.999 -2.925 1.00 87.03 13 A 1 ATOM 102 C CD1 . LEU A 1 13 ? 0.126 5.400 -2.959 1.00 86.22 13 A 1 ATOM 103 C CD2 . LEU A 1 13 ? 2.182 5.044 -4.328 1.00 85.50 13 A 1 ATOM 104 N N . SER A 1 14 ? 4.485 6.724 0.288 1.00 91.27 14 A 1 ATOM 105 C CA . SER A 1 14 ? 5.138 7.795 1.039 1.00 90.91 14 A 1 ATOM 106 C C . SER A 1 14 ? 6.623 7.525 1.295 1.00 90.02 14 A 1 ATOM 107 O O . SER A 1 14 ? 7.355 8.425 1.707 1.00 86.25 14 A 1 ATOM 108 C CB . SER A 1 14 ? 4.419 8.030 2.370 1.00 88.73 14 A 1 ATOM 109 O OG . SER A 1 14 ? 4.547 6.917 3.224 1.00 81.97 14 A 1 ATOM 110 N N . SER A 1 15 ? 7.079 6.301 1.037 1.00 89.53 15 A 1 ATOM 111 C CA . SER A 1 15 ? 8.482 5.927 1.245 1.00 88.83 15 A 1 ATOM 112 C C . SER A 1 15 ? 9.393 6.458 0.137 1.00 87.78 15 A 1 ATOM 113 O O . SER A 1 15 ? 10.618 6.378 0.238 1.00 81.67 15 A 1 ATOM 114 C CB . SER A 1 15 ? 8.624 4.406 1.342 1.00 85.82 15 A 1 ATOM 115 O OG . SER A 1 15 ? 7.980 3.910 2.502 1.00 78.69 15 A 1 ATOM 116 N N . GLY A 1 16 ? 8.800 7.014 -0.921 1.00 84.45 16 A 1 ATOM 117 C CA . GLY A 1 16 ? 9.567 7.558 -2.031 1.00 82.80 16 A 1 ATOM 118 C C . GLY A 1 16 ? 9.411 6.740 -3.302 1.00 82.74 16 A 1 ATOM 119 O O . GLY A 1 16 ? 8.913 5.615 -3.268 1.00 79.17 16 A 1 ATOM 120 N N . PRO A 1 17 ? 9.863 7.294 -4.447 1.00 85.07 17 A 1 ATOM 121 C CA . PRO A 1 17 ? 9.727 6.627 -5.744 1.00 84.85 17 A 1 ATOM 122 C C . PRO A 1 17 ? 10.481 5.302 -5.827 1.00 84.97 17 A 1 ATOM 123 O O . PRO A 1 17 ? 10.092 4.414 -6.581 1.00 78.71 17 A 1 ATOM 124 C CB . PRO A 1 17 ? 10.296 7.650 -6.738 1.00 81.05 17 A 1 ATOM 125 C CG . PRO A 1 17 ? 11.216 8.498 -5.917 1.00 80.06 17 A 1 ATOM 126 C CD . PRO A 1 17 ? 10.565 8.580 -4.558 1.00 83.00 17 A 1 ATOM 127 N N . ALA A 1 18 ? 11.555 5.156 -5.052 1.00 79.80 18 A 1 ATOM 128 C CA . ALA A 1 18 ? 12.356 3.935 -5.053 1.00 78.73 18 A 1 ATOM 129 C C . ALA A 1 18 ? 11.635 2.765 -4.389 1.00 79.18 18 A 1 ATOM 130 O O . ALA A 1 18 ? 12.052 1.616 -4.535 1.00 74.55 18 A 1 ATOM 131 C CB . ALA A 1 18 ? 13.692 4.182 -4.357 1.00 74.56 18 A 1 ATOM 132 N N . ALA A 1 19 ? 10.568 3.056 -3.655 1.00 76.96 19 A 1 ATOM 133 C CA . ALA A 1 19 ? 9.789 2.024 -2.973 1.00 76.27 19 A 1 ATOM 134 C C . ALA A 1 19 ? 8.823 1.302 -3.910 1.00 76.31 19 A 1 ATOM 135 O O . ALA A 1 19 ? 8.259 0.266 -3.551 1.00 72.47 19 A 1 ATOM 136 C CB . ALA A 1 19 ? 9.022 2.637 -1.802 1.00 72.70 19 A 1 ATOM 137 N N . LEU A 1 20 ? 8.634 1.856 -5.107 1.00 76.28 20 A 1 ATOM 138 C CA . LEU A 1 20 ? 7.733 1.278 -6.095 1.00 77.44 20 A 1 ATOM 139 C C . LEU A 1 20 ? 8.496 0.383 -7.073 1.00 76.62 20 A 1 ATOM 140 O O . LEU A 1 20 ? 9.708 0.555 -7.239 1.00 71.02 20 A 1 ATOM 141 C CB . LEU A 1 20 ? 6.990 2.387 -6.859 1.00 70.21 20 A 1 ATOM 142 C CG . LEU A 1 20 ? 6.034 3.242 -6.032 1.00 67.33 20 A 1 ATOM 143 C CD1 . LEU A 1 20 ? 5.481 4.385 -6.873 1.00 68.18 20 A 1 ATOM 144 C CD2 . LEU A 1 20 ? 4.880 2.382 -5.515 1.00 64.30 20 A 1 ATOM 145 O OXT . LEU A 1 20 ? 7.869 -0.511 -7.691 1.00 67.34 20 A 1 #