# 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_spkb32444 # _entry.id spkb32444 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "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 LYS 2 1 n ARG 3 1 n LEU 4 1 n ASN 5 1 n LEU 6 1 n LEU 7 1 n CYS 8 1 n CYS 9 1 n CYS 10 1 n VAL 11 1 n ALA 12 1 n SER 13 1 n LEU 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n GLY 18 1 n THR 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 @ 2025-07-13 09:12:24)" _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 88.11 _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 77.90 1 1 A LYS 2 2 81.78 1 2 A ARG 3 2 81.81 1 3 A LEU 4 2 87.24 1 4 A ASN 5 2 87.52 1 5 A LEU 6 2 89.85 1 6 A LEU 7 2 91.82 1 7 A CYS 8 2 91.65 1 8 A CYS 9 2 91.47 1 9 A CYS 10 2 93.23 1 10 A VAL 11 2 93.39 1 11 A ALA 12 2 95.25 1 12 A SER 13 2 93.64 1 13 A LEU 14 2 91.97 1 14 A LEU 15 2 91.67 1 15 A LEU 16 2 89.63 1 16 A LEU 17 2 88.18 1 17 A GLY 18 2 90.02 1 18 A THR 19 2 83.29 1 19 A ALA 20 2 80.14 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 LYS . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n THR . 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 ? -0.463 13.897 -1.510 1.00 82.99 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.107 12.578 -1.602 1.00 86.07 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.555 11.611 -0.553 1.00 87.34 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.281 10.765 -0.864 1.00 82.26 1 A 1 ATOM 5 C CB . MET A 1 1 ? -0.927 11.984 -2.997 1.00 79.76 1 A 1 ATOM 6 C CG . MET A 1 1 ? 0.462 12.193 -3.586 1.00 75.18 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.485 11.817 -5.341 1.00 68.63 1 A 1 ATOM 8 C CE . MET A 1 1 ? 2.110 12.386 -5.785 1.00 60.98 1 A 1 ATOM 9 N N . LYS A 1 2 ? -1.005 11.771 0.673 1.00 89.27 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -0.559 10.904 1.761 1.00 89.89 2 A 1 ATOM 11 C C . LYS A 1 2 ? -1.509 9.728 1.971 1.00 91.13 2 A 1 ATOM 12 O O . LYS A 1 2 ? -1.078 8.627 2.315 1.00 89.23 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -0.395 11.713 3.050 1.00 87.32 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -1.487 12.732 3.303 1.00 78.65 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -1.003 13.785 4.283 1.00 77.07 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -2.050 14.840 4.517 1.00 70.18 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -1.506 15.949 5.342 1.00 63.25 2 A 1 ATOM 18 N N . ARG A 1 3 ? -2.792 9.990 1.762 1.00 90.98 3 A 1 ATOM 19 C CA . ARG A 1 3 ? -3.809 8.947 1.918 1.00 93.96 3 A 1 ATOM 20 C C . ARG A 1 3 ? -3.694 7.916 0.802 1.00 95.55 3 A 1 ATOM 21 O O . ARG A 1 3 ? -3.744 6.711 1.048 1.00 93.26 3 A 1 ATOM 22 C CB . ARG A 1 3 ? -5.204 9.570 1.921 1.00 92.40 3 A 1 ATOM 23 C CG . ARG A 1 3 ? -5.924 9.401 3.246 1.00 84.99 3 A 1 ATOM 24 C CD . ARG A 1 3 ? -6.714 8.096 3.273 1.00 80.21 3 A 1 ATOM 25 N NE . ARG A 1 3 ? -7.499 7.960 4.502 1.00 73.00 3 A 1 ATOM 26 C CZ . ARG A 1 3 ? -8.348 6.978 4.740 1.00 69.88 3 A 1 ATOM 27 N NH1 . ARG A 1 3 ? -8.546 6.031 3.846 1.00 64.13 3 A 1 ATOM 28 N NH2 . ARG A 1 3 ? -9.012 6.928 5.879 1.00 61.60 3 A 1 ATOM 29 N N . LEU A 1 4 ? -3.528 8.406 -0.417 1.00 90.56 4 A 1 ATOM 30 C CA . LEU A 1 4 ? -3.373 7.531 -1.578 1.00 91.40 4 A 1 ATOM 31 C C . LEU A 1 4 ? -2.113 6.685 -1.459 1.00 93.57 4 A 1 ATOM 32 O O . LEU A 1 4 ? -2.112 5.503 -1.811 1.00 92.28 4 A 1 ATOM 33 C CB . LEU A 1 4 ? -3.324 8.374 -2.852 1.00 90.96 4 A 1 ATOM 34 C CG . LEU A 1 4 ? -4.638 8.423 -3.610 1.00 83.53 4 A 1 ATOM 35 C CD1 . LEU A 1 4 ? -5.072 9.850 -3.873 1.00 77.78 4 A 1 ATOM 36 C CD2 . LEU A 1 4 ? -4.494 7.663 -4.926 1.00 77.85 4 A 1 ATOM 37 N N . ASN A 1 5 ? -1.053 7.298 -0.963 1.00 91.10 5 A 1 ATOM 38 C CA . ASN A 1 5 ? 0.217 6.602 -0.779 1.00 91.19 5 A 1 ATOM 39 C C . ASN A 1 5 ? 0.071 5.488 0.247 1.00 92.53 5 A 1 ATOM 40 O O . ASN A 1 5 ? 0.628 4.400 0.088 1.00 93.39 5 A 1 ATOM 41 C CB . ASN A 1 5 ? 1.293 7.586 -0.324 1.00 91.19 5 A 1 ATOM 42 C CG . ASN A 1 5 ? 2.686 7.095 -0.659 1.00 85.29 5 A 1 ATOM 43 O OD1 . ASN A 1 5 ? 2.992 6.782 -1.802 1.00 76.94 5 A 1 ATOM 44 N ND2 . ASN A 1 5 ? 3.549 7.030 0.331 1.00 78.54 5 A 1 ATOM 45 N N . LEU A 1 6 ? -0.680 5.768 1.296 1.00 93.64 6 A 1 ATOM 46 C CA . LEU A 1 6 ? -0.921 4.789 2.354 1.00 93.67 6 A 1 ATOM 47 C C . LEU A 1 6 ? -1.689 3.594 1.807 1.00 94.63 6 A 1 ATOM 48 O O . LEU A 1 6 ? -1.361 2.440 2.112 1.00 94.41 6 A 1 ATOM 49 C CB . LEU A 1 6 ? -1.703 5.447 3.494 1.00 94.31 6 A 1 ATOM 50 C CG . LEU A 1 6 ? -0.980 5.444 4.834 1.00 84.87 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? -1.038 6.818 5.482 1.00 80.69 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? -1.589 4.406 5.759 1.00 82.60 6 A 1 ATOM 53 N N . LEU A 1 7 ? -2.691 3.879 0.998 1.00 94.83 7 A 1 ATOM 54 C CA . LEU A 1 7 ? -3.499 2.831 0.387 1.00 94.93 7 A 1 ATOM 55 C C . LEU A 1 7 ? -2.647 1.991 -0.555 1.00 95.57 7 A 1 ATOM 56 O O . LEU A 1 7 ? -2.745 0.762 -0.579 1.00 95.34 7 A 1 ATOM 57 C CB . LEU A 1 7 ? -4.683 3.450 -0.370 1.00 95.70 7 A 1 ATOM 58 C CG . LEU A 1 7 ? -6.029 3.385 0.345 1.00 89.26 7 A 1 ATOM 59 C CD1 . LEU A 1 7 ? -6.490 1.946 0.489 1.00 83.79 7 A 1 ATOM 60 C CD2 . LEU A 1 7 ? -5.963 4.065 1.696 1.00 85.12 7 A 1 ATOM 61 N N . CYS A 1 8 ? -1.812 2.667 -1.325 1.00 93.08 8 A 1 ATOM 62 C CA . CYS A 1 8 ? -0.921 2.001 -2.269 1.00 93.24 8 A 1 ATOM 63 C C . CYS A 1 8 ? 0.070 1.099 -1.537 1.00 93.69 8 A 1 ATOM 64 O O . CYS A 1 8 ? 0.345 -0.019 -1.969 1.00 92.93 8 A 1 ATOM 65 C CB . CYS A 1 8 ? -0.177 3.045 -3.096 1.00 92.19 8 A 1 ATOM 66 S SG . CYS A 1 8 ? 0.433 2.385 -4.659 1.00 84.78 8 A 1 ATOM 67 N N . CYS A 1 9 ? 0.596 1.591 -0.431 1.00 92.81 9 A 1 ATOM 68 C CA . CYS A 1 9 ? 1.547 0.832 0.375 1.00 92.87 9 A 1 ATOM 69 C C . CYS A 1 9 ? 0.890 -0.415 0.962 1.00 93.58 9 A 1 ATOM 70 O O . CYS A 1 9 ? 1.482 -1.492 0.977 1.00 92.54 9 A 1 ATOM 71 C CB . CYS A 1 9 ? 2.101 1.709 1.494 1.00 91.64 9 A 1 ATOM 72 S SG . CYS A 1 9 ? 3.747 2.354 1.114 1.00 85.39 9 A 1 ATOM 73 N N . CYS A 1 10 ? -0.332 -0.244 1.436 1.00 93.45 10 A 1 ATOM 74 C CA . CYS A 1 10 ? -1.080 -1.351 2.019 1.00 94.15 10 A 1 ATOM 75 C C . CYS A 1 10 ? -1.355 -2.432 0.977 1.00 95.12 10 A 1 ATOM 76 O O . CYS A 1 10 ? -1.190 -3.620 1.242 1.00 94.28 10 A 1 ATOM 77 C CB . CYS A 1 10 ? -2.396 -0.840 2.608 1.00 93.35 10 A 1 ATOM 78 S SG . CYS A 1 10 ? -2.227 -0.275 4.313 1.00 89.04 10 A 1 ATOM 79 N N . VAL A 1 11 ? -1.762 -1.994 -0.201 1.00 94.69 11 A 1 ATOM 80 C CA . VAL A 1 11 ? -2.057 -2.916 -1.298 1.00 94.89 11 A 1 ATOM 81 C C . VAL A 1 11 ? -0.781 -3.617 -1.754 1.00 95.36 11 A 1 ATOM 82 O O . VAL A 1 11 ? -0.784 -4.821 -2.025 1.00 94.64 11 A 1 ATOM 83 C CB . VAL A 1 11 ? -2.714 -2.172 -2.474 1.00 94.24 11 A 1 ATOM 84 C CG1 . VAL A 1 11 ? -2.921 -3.107 -3.661 1.00 89.47 11 A 1 ATOM 85 C CG2 . VAL A 1 11 ? -4.048 -1.583 -2.052 1.00 90.45 11 A 1 ATOM 86 N N . ALA A 1 12 ? 0.295 -2.854 -1.841 1.00 95.80 12 A 1 ATOM 87 C CA . ALA A 1 12 ? 1.585 -3.396 -2.260 1.00 95.40 12 A 1 ATOM 88 C C . ALA A 1 12 ? 2.066 -4.471 -1.290 1.00 95.97 12 A 1 ATOM 89 O O . ALA A 1 12 ? 2.586 -5.506 -1.703 1.00 94.77 12 A 1 ATOM 90 C CB . ALA A 1 12 ? 2.611 -2.273 -2.353 1.00 94.30 12 A 1 ATOM 91 N N . SER A 1 13 ? 1.884 -4.215 -0.005 1.00 95.42 13 A 1 ATOM 92 C CA . SER A 1 13 ? 2.275 -5.159 1.036 1.00 95.36 13 A 1 ATOM 93 C C . SER A 1 13 ? 1.452 -6.440 0.940 1.00 95.80 13 A 1 ATOM 94 O O . SER A 1 13 ? 1.980 -7.546 1.060 1.00 94.84 13 A 1 ATOM 95 C CB . SER A 1 13 ? 2.101 -4.529 2.413 1.00 94.41 13 A 1 ATOM 96 O OG . SER A 1 13 ? 3.319 -4.493 3.114 1.00 86.03 13 A 1 ATOM 97 N N . LEU A 1 14 ? 0.166 -6.271 0.716 1.00 94.86 14 A 1 ATOM 98 C CA . LEU A 1 14 ? -0.749 -7.404 0.587 1.00 94.72 14 A 1 ATOM 99 C C . LEU A 1 14 ? -0.412 -8.226 -0.649 1.00 95.38 14 A 1 ATOM 100 O O . LEU A 1 14 ? -0.450 -9.460 -0.615 1.00 94.42 14 A 1 ATOM 101 C CB . LEU A 1 14 ? -2.187 -6.893 0.514 1.00 94.36 14 A 1 ATOM 102 C CG . LEU A 1 14 ? -3.226 -7.877 1.032 1.00 89.77 14 A 1 ATOM 103 C CD1 . LEU A 1 14 ? -4.208 -7.173 1.955 1.00 85.42 14 A 1 ATOM 104 C CD2 . LEU A 1 14 ? -3.970 -8.534 -0.113 1.00 86.83 14 A 1 ATOM 105 N N . LEU A 1 15 ? -0.080 -7.534 -1.727 1.00 95.29 15 A 1 ATOM 106 C CA . LEU A 1 15 ? 0.282 -8.187 -2.983 1.00 94.61 15 A 1 ATOM 107 C C . LEU A 1 15 ? 1.553 -9.007 -2.813 1.00 95.17 15 A 1 ATOM 108 O O . LEU A 1 15 ? 1.642 -10.145 -3.282 1.00 94.07 15 A 1 ATOM 109 C CB . LEU A 1 15 ? 0.469 -7.130 -4.072 1.00 94.24 15 A 1 ATOM 110 C CG . LEU A 1 15 ? -0.465 -7.290 -5.269 1.00 90.30 15 A 1 ATOM 111 C CD1 . LEU A 1 15 ? -0.743 -5.939 -5.921 1.00 84.35 15 A 1 ATOM 112 C CD2 . LEU A 1 15 ? 0.142 -8.241 -6.286 1.00 85.37 15 A 1 ATOM 113 N N . LEU A 1 16 ? 2.525 -8.423 -2.132 1.00 93.97 16 A 1 ATOM 114 C CA . LEU A 1 16 ? 3.793 -9.098 -1.875 1.00 93.15 16 A 1 ATOM 115 C C . LEU A 1 16 ? 3.586 -10.341 -1.024 1.00 93.76 16 A 1 ATOM 116 O O . LEU A 1 16 ? 4.178 -11.393 -1.285 1.00 92.58 16 A 1 ATOM 117 C CB . LEU A 1 16 ? 4.750 -8.133 -1.175 1.00 92.62 16 A 1 ATOM 118 C CG . LEU A 1 16 ? 5.857 -7.588 -2.075 1.00 87.68 16 A 1 ATOM 119 C CD1 . LEU A 1 16 ? 6.335 -6.235 -1.584 1.00 81.38 16 A 1 ATOM 120 C CD2 . LEU A 1 16 ? 7.016 -8.571 -2.117 1.00 81.92 16 A 1 ATOM 121 N N . LEU A 1 17 ? 2.755 -10.210 -0.015 1.00 93.44 17 A 1 ATOM 122 C CA . LEU A 1 17 ? 2.457 -11.320 0.881 1.00 92.22 17 A 1 ATOM 123 C C . LEU A 1 17 ? 1.667 -12.407 0.168 1.00 92.69 17 A 1 ATOM 124 O O . LEU A 1 17 ? 1.877 -13.600 0.408 1.00 90.39 17 A 1 ATOM 125 C CB . LEU A 1 17 ? 1.678 -10.806 2.090 1.00 91.21 17 A 1 ATOM 126 C CG . LEU A 1 17 ? 1.878 -11.632 3.358 1.00 86.77 17 A 1 ATOM 127 C CD1 . LEU A 1 17 ? 3.230 -11.309 3.991 1.00 79.73 17 A 1 ATOM 128 C CD2 . LEU A 1 17 ? 0.765 -11.372 4.345 1.00 79.02 17 A 1 ATOM 129 N N . GLY A 1 18 ? 0.776 -11.990 -0.699 1.00 90.94 18 A 1 ATOM 130 C CA . GLY A 1 18 ? -0.053 -12.927 -1.443 1.00 89.72 18 A 1 ATOM 131 C C . GLY A 1 18 ? 0.700 -13.629 -2.553 1.00 90.25 18 A 1 ATOM 132 O O . GLY A 1 18 ? 0.423 -14.784 -2.869 1.00 89.17 18 A 1 ATOM 133 N N . THR A 1 19 ? 1.644 -12.929 -3.147 1.00 89.18 19 A 1 ATOM 134 C CA . THR A 1 19 ? 2.435 -13.493 -4.238 1.00 87.33 19 A 1 ATOM 135 C C . THR A 1 19 ? 3.613 -14.314 -3.719 1.00 85.96 19 A 1 ATOM 136 O O . THR A 1 19 ? 4.198 -15.103 -4.458 1.00 81.50 19 A 1 ATOM 137 C CB . THR A 1 19 ? 2.936 -12.385 -5.177 1.00 85.60 19 A 1 ATOM 138 O OG1 . THR A 1 19 ? 3.318 -12.973 -6.421 1.00 77.61 19 A 1 ATOM 139 C CG2 . THR A 1 19 ? 4.120 -11.633 -4.607 1.00 75.84 19 A 1 ATOM 140 N N . ALA A 1 20 ? 3.948 -14.131 -2.468 1.00 87.25 20 A 1 ATOM 141 C CA . ALA A 1 20 ? 5.063 -14.839 -1.842 1.00 84.86 20 A 1 ATOM 142 C C . ALA A 1 20 ? 4.758 -16.336 -1.728 1.00 82.04 20 A 1 ATOM 143 O O . ALA A 1 20 ? 5.556 -17.154 -2.210 1.00 77.52 20 A 1 ATOM 144 C CB . ALA A 1 20 ? 5.369 -14.237 -0.474 1.00 79.81 20 A 1 ATOM 145 O OXT . ALA A 1 20 ? 3.737 -16.686 -1.147 1.00 69.33 20 A 1 #