# 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_spkb30249 # _entry.id spkb30249 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "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 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" "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 GLU 2 1 n PRO 3 1 n ALA 4 1 n GLY 5 1 n GLU 6 1 n ARG 7 1 n PHE 8 1 n PRO 9 1 n GLU 10 1 n GLN 11 1 n ARG 12 1 n GLN 13 1 n VAL 14 1 n LEU 15 1 n ILE 16 1 n LEU 17 1 n LEU 18 1 n LEU 19 1 n LEU 20 1 n LEU 21 1 n GLU 22 1 n VAL 23 1 n THR 24 1 n LEU 25 1 n ALA 26 # _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 @ 2025-07-04 00:55:03)" _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 87.28 _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 74.32 1 1 A GLU 2 2 63.25 1 2 A PRO 3 2 74.08 1 3 A ALA 4 2 77.08 1 4 A GLY 5 2 78.72 1 5 A GLU 6 2 72.54 1 6 A ARG 7 2 74.01 1 7 A PHE 8 2 79.38 1 8 A PRO 9 2 90.23 1 9 A GLU 10 2 87.48 1 10 A GLN 11 2 89.00 1 11 A ARG 12 2 84.45 1 12 A GLN 13 2 91.39 1 13 A VAL 14 2 96.79 1 14 A LEU 15 2 93.59 1 15 A ILE 16 2 96.36 1 16 A LEU 17 2 95.78 1 17 A LEU 18 2 96.69 1 18 A LEU 19 2 96.22 1 19 A LEU 20 2 97.15 1 20 A LEU 21 2 96.20 1 21 A GLU 22 2 91.68 1 22 A VAL 23 2 97.58 1 23 A THR 24 2 96.00 1 24 A LEU 25 2 96.49 1 25 A ALA 26 2 90.25 1 26 # _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 GLU . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n GLU . 10 A 10 A 11 1 n GLN . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n GLN . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n THR . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n ALA . 26 A 26 # _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 ? 25.013 1.214 -0.692 1.00 77.15 1 A 1 ATOM 2 C CA . MET A 1 1 ? 24.102 0.131 -0.262 1.00 80.34 1 A 1 ATOM 3 C C . MET A 1 1 ? 22.722 0.769 -0.178 1.00 81.40 1 A 1 ATOM 4 O O . MET A 1 1 ? 22.393 1.354 0.840 1.00 77.12 1 A 1 ATOM 5 C CB . MET A 1 1 ? 24.605 -0.476 1.061 1.00 77.65 1 A 1 ATOM 6 C CG . MET A 1 1 ? 24.067 -1.890 1.357 1.00 72.73 1 A 1 ATOM 7 S SD . MET A 1 1 ? 24.971 -2.658 2.754 1.00 68.74 1 A 1 ATOM 8 C CE . MET A 1 1 ? 24.259 -4.313 2.757 1.00 59.47 1 A 1 ATOM 9 N N . GLU A 1 2 ? 22.004 0.820 -1.312 1.00 68.36 2 A 1 ATOM 10 C CA . GLU A 1 2 ? 20.681 1.443 -1.379 1.00 70.78 2 A 1 ATOM 11 C C . GLU A 1 2 ? 19.673 0.521 -0.687 1.00 70.41 2 A 1 ATOM 12 O O . GLU A 1 2 ? 19.683 -0.688 -0.953 1.00 66.69 2 A 1 ATOM 13 C CB . GLU A 1 2 ? 20.295 1.703 -2.841 1.00 66.85 2 A 1 ATOM 14 C CG . GLU A 1 2 ? 21.050 2.907 -3.412 1.00 60.17 2 A 1 ATOM 15 C CD . GLU A 1 2 ? 20.868 2.999 -4.928 1.00 56.65 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? 20.029 3.811 -5.364 1.00 53.33 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? 21.578 2.244 -5.625 1.00 56.04 2 A 1 ATOM 18 N N . PRO A 1 3 ? 18.836 1.015 0.233 1.00 75.61 3 A 1 ATOM 19 C CA . PRO A 1 3 ? 17.799 0.213 0.850 1.00 76.53 3 A 1 ATOM 20 C C . PRO A 1 3 ? 16.816 -0.218 -0.241 1.00 77.27 3 A 1 ATOM 21 O O . PRO A 1 3 ? 16.162 0.602 -0.887 1.00 71.55 3 A 1 ATOM 22 C CB . PRO A 1 3 ? 17.180 1.095 1.939 1.00 72.44 3 A 1 ATOM 23 C CG . PRO A 1 3 ? 17.427 2.517 1.446 1.00 70.51 3 A 1 ATOM 24 C CD . PRO A 1 3 ? 18.733 2.407 0.661 1.00 74.68 3 A 1 ATOM 25 N N . ALA A 1 4 ? 16.734 -1.526 -0.468 1.00 78.08 4 A 1 ATOM 26 C CA . ALA A 1 4 ? 15.803 -2.121 -1.403 1.00 78.94 4 A 1 ATOM 27 C C . ALA A 1 4 ? 14.367 -1.741 -1.020 1.00 79.19 4 A 1 ATOM 28 O O . ALA A 1 4 ? 13.823 -2.225 -0.027 1.00 74.53 4 A 1 ATOM 29 C CB . ALA A 1 4 ? 16.024 -3.640 -1.397 1.00 74.65 4 A 1 ATOM 30 N N . GLY A 1 5 ? 13.745 -0.906 -1.853 1.00 77.26 5 A 1 ATOM 31 C CA . GLY A 1 5 ? 12.306 -0.730 -1.879 1.00 78.31 5 A 1 ATOM 32 C C . GLY A 1 5 ? 11.711 -0.061 -0.649 1.00 81.26 5 A 1 ATOM 33 O O . GLY A 1 5 ? 10.812 -0.630 -0.022 1.00 78.04 5 A 1 ATOM 34 N N . GLU A 1 6 ? 12.081 1.199 -0.392 1.00 80.48 6 A 1 ATOM 35 C CA . GLU A 1 6 ? 11.158 2.155 0.212 1.00 83.04 6 A 1 ATOM 36 C C . GLU A 1 6 ? 9.994 2.351 -0.772 1.00 85.12 6 A 1 ATOM 37 O O . GLU A 1 6 ? 9.890 3.330 -1.499 1.00 80.78 6 A 1 ATOM 38 C CB . GLU A 1 6 ? 11.852 3.480 0.560 1.00 76.91 6 A 1 ATOM 39 C CG . GLU A 1 6 ? 12.705 3.365 1.824 1.00 67.28 6 A 1 ATOM 40 C CD . GLU A 1 6 ? 13.382 4.693 2.153 1.00 62.06 6 A 1 ATOM 41 O OE1 . GLU A 1 6 ? 12.875 5.395 3.047 1.00 57.56 6 A 1 ATOM 42 O OE2 . GLU A 1 6 ? 14.404 4.997 1.503 1.00 59.67 6 A 1 ATOM 43 N N . ARG A 1 7 ? 9.127 1.347 -0.863 1.00 85.56 7 A 1 ATOM 44 C CA . ARG A 1 7 ? 7.807 1.486 -1.462 1.00 88.59 7 A 1 ATOM 45 C C . ARG A 1 7 ? 7.159 2.621 -0.696 1.00 90.83 7 A 1 ATOM 46 O O . ARG A 1 7 ? 6.892 2.447 0.493 1.00 88.23 7 A 1 ATOM 47 C CB . ARG A 1 7 ? 6.991 0.199 -1.310 1.00 84.23 7 A 1 ATOM 48 C CG . ARG A 1 7 ? 7.546 -0.961 -2.142 1.00 74.51 7 A 1 ATOM 49 C CD . ARG A 1 7 ? 6.685 -2.209 -1.941 1.00 70.83 7 A 1 ATOM 50 N NE . ARG A 1 7 ? 7.236 -3.362 -2.674 1.00 63.85 7 A 1 ATOM 51 C CZ . ARG A 1 7 ? 6.801 -4.611 -2.618 1.00 58.54 7 A 1 ATOM 52 N NH1 . ARG A 1 7 ? 5.799 -4.953 -1.859 1.00 56.23 7 A 1 ATOM 53 N NH2 . ARG A 1 7 ? 7.376 -5.546 -3.333 1.00 52.69 7 A 1 ATOM 54 N N . PHE A 1 8 ? 6.969 3.751 -1.342 1.00 87.85 8 A 1 ATOM 55 C CA . PHE A 1 8 ? 6.411 4.958 -0.755 1.00 88.83 8 A 1 ATOM 56 C C . PHE A 1 8 ? 5.232 4.566 0.146 1.00 91.61 8 A 1 ATOM 57 O O . PHE A 1 8 ? 4.268 3.974 -0.352 1.00 90.39 8 A 1 ATOM 58 C CB . PHE A 1 8 ? 5.976 5.908 -1.876 1.00 85.30 8 A 1 ATOM 59 C CG . PHE A 1 8 ? 7.126 6.472 -2.682 1.00 78.03 8 A 1 ATOM 60 C CD1 . PHE A 1 8 ? 7.772 7.638 -2.245 1.00 74.66 8 A 1 ATOM 61 C CD2 . PHE A 1 8 ? 7.569 5.837 -3.848 1.00 72.72 8 A 1 ATOM 62 C CE1 . PHE A 1 8 ? 8.851 8.172 -2.966 1.00 68.98 8 A 1 ATOM 63 C CE2 . PHE A 1 8 ? 8.654 6.359 -4.577 1.00 68.83 8 A 1 ATOM 64 C CZ . PHE A 1 8 ? 9.294 7.529 -4.136 1.00 66.00 8 A 1 ATOM 65 N N . PRO A 1 9 ? 5.309 4.798 1.472 1.00 90.85 9 A 1 ATOM 66 C CA . PRO A 1 9 ? 4.296 4.333 2.423 1.00 92.31 9 A 1 ATOM 67 C C . PRO A 1 9 ? 2.898 4.820 2.028 1.00 93.76 9 A 1 ATOM 68 O O . PRO A 1 9 ? 1.918 4.098 2.199 1.00 91.50 9 A 1 ATOM 69 C CB . PRO A 1 9 ? 4.757 4.867 3.789 1.00 89.44 9 A 1 ATOM 70 C CG . PRO A 1 9 ? 5.727 6.003 3.455 1.00 85.16 9 A 1 ATOM 71 C CD . PRO A 1 9 ? 6.352 5.548 2.152 1.00 88.56 9 A 1 ATOM 72 N N . GLU A 1 10 ? 2.825 5.968 1.381 1.00 93.82 10 A 1 ATOM 73 C CA . GLU A 1 10 ? 1.625 6.562 0.795 1.00 95.15 10 A 1 ATOM 74 C C . GLU A 1 10 ? 0.987 5.667 -0.275 1.00 95.71 10 A 1 ATOM 75 O O . GLU A 1 10 ? -0.213 5.406 -0.232 1.00 95.07 10 A 1 ATOM 76 C CB . GLU A 1 10 ? 2.011 7.910 0.183 1.00 94.17 10 A 1 ATOM 77 C CG . GLU A 1 10 ? 2.562 8.885 1.233 1.00 86.08 10 A 1 ATOM 78 C CD . GLU A 1 10 ? 3.100 10.180 0.617 1.00 79.53 10 A 1 ATOM 79 O OE1 . GLU A 1 10 ? 3.335 11.126 1.395 1.00 72.45 10 A 1 ATOM 80 O OE2 . GLU A 1 10 ? 3.306 10.210 -0.622 1.00 75.33 10 A 1 ATOM 81 N N . GLN A 1 11 ? 1.766 5.104 -1.213 1.00 96.35 11 A 1 ATOM 82 C CA . GLN A 1 11 ? 1.237 4.216 -2.256 1.00 96.41 11 A 1 ATOM 83 C C . GLN A 1 11 ? 0.648 2.937 -1.656 1.00 96.69 11 A 1 ATOM 84 O O . GLN A 1 11 ? -0.397 2.454 -2.102 1.00 95.60 11 A 1 ATOM 85 C CB . GLN A 1 11 ? 2.334 3.839 -3.258 1.00 95.63 11 A 1 ATOM 86 C CG . GLN A 1 11 ? 2.741 5.015 -4.154 1.00 88.83 11 A 1 ATOM 87 C CD . GLN A 1 11 ? 3.784 4.612 -5.196 1.00 81.74 11 A 1 ATOM 88 O OE1 . GLN A 1 11 ? 4.406 3.560 -5.132 1.00 76.48 11 A 1 ATOM 89 N NE2 . GLN A 1 11 ? 4.011 5.429 -6.195 1.00 73.25 11 A 1 ATOM 90 N N . ARG A 1 12 ? 1.285 2.383 -0.618 1.00 96.35 12 A 1 ATOM 91 C CA . ARG A 1 12 ? 0.775 1.202 0.086 1.00 96.83 12 A 1 ATOM 92 C C . ARG A 1 12 ? -0.531 1.510 0.814 1.00 97.30 12 A 1 ATOM 93 O O . ARG A 1 12 ? -1.436 0.681 0.784 1.00 96.87 12 A 1 ATOM 94 C CB . ARG A 1 12 ? 1.860 0.669 1.029 1.00 95.99 12 A 1 ATOM 95 C CG . ARG A 1 12 ? 1.467 -0.696 1.588 1.00 87.33 12 A 1 ATOM 96 C CD . ARG A 1 12 ? 2.584 -1.239 2.474 1.00 83.87 12 A 1 ATOM 97 N NE . ARG A 1 12 ? 2.262 -2.584 2.969 1.00 76.09 12 A 1 ATOM 98 C CZ . ARG A 1 12 ? 2.991 -3.305 3.798 1.00 71.71 12 A 1 ATOM 99 N NH1 . ARG A 1 12 ? 4.121 -2.862 4.278 1.00 65.81 12 A 1 ATOM 100 N NH2 . ARG A 1 12 ? 2.590 -4.493 4.162 1.00 60.85 12 A 1 ATOM 101 N N . GLN A 1 13 ? -0.655 2.672 1.438 1.00 96.64 13 A 1 ATOM 102 C CA . GLN A 1 13 ? -1.890 3.107 2.090 1.00 97.24 13 A 1 ATOM 103 C C . GLN A 1 13 ? -3.027 3.282 1.077 1.00 97.81 13 A 1 ATOM 104 O O . GLN A 1 13 ? -4.119 2.773 1.317 1.00 97.34 13 A 1 ATOM 105 C CB . GLN A 1 13 ? -1.649 4.413 2.846 1.00 96.77 13 A 1 ATOM 106 C CG . GLN A 1 13 ? -0.849 4.181 4.135 1.00 90.67 13 A 1 ATOM 107 C CD . GLN A 1 13 ? -0.543 5.490 4.859 1.00 86.25 13 A 1 ATOM 108 O OE1 . GLN A 1 13 ? -0.689 6.580 4.341 1.00 81.67 13 A 1 ATOM 109 N NE2 . GLN A 1 13 ? -0.119 5.437 6.100 1.00 78.16 13 A 1 ATOM 110 N N . VAL A 1 14 ? -2.770 3.902 -0.075 1.00 97.17 14 A 1 ATOM 111 C CA . VAL A 1 14 ? -3.762 4.058 -1.149 1.00 97.55 14 A 1 ATOM 112 C C . VAL A 1 14 ? -4.256 2.700 -1.645 1.00 97.97 14 A 1 ATOM 113 O O . VAL A 1 14 ? -5.464 2.498 -1.745 1.00 97.85 14 A 1 ATOM 114 C CB . VAL A 1 14 ? -3.191 4.904 -2.300 1.00 97.15 14 A 1 ATOM 115 C CG1 . VAL A 1 14 ? -4.115 4.929 -3.520 1.00 95.04 14 A 1 ATOM 116 C CG2 . VAL A 1 14 ? -2.994 6.351 -1.846 1.00 94.83 14 A 1 ATOM 117 N N . LEU A 1 15 ? -3.364 1.738 -1.886 1.00 97.15 15 A 1 ATOM 118 C CA . LEU A 1 15 ? -3.752 0.387 -2.300 1.00 97.15 15 A 1 ATOM 119 C C . LEU A 1 15 ? -4.628 -0.316 -1.257 1.00 97.58 15 A 1 ATOM 120 O O . LEU A 1 15 ? -5.622 -0.933 -1.622 1.00 97.56 15 A 1 ATOM 121 C CB . LEU A 1 15 ? -2.492 -0.445 -2.577 1.00 96.65 15 A 1 ATOM 122 C CG . LEU A 1 15 ? -1.793 -0.094 -3.899 1.00 88.31 15 A 1 ATOM 123 C CD1 . LEU A 1 15 ? -0.432 -0.788 -3.949 1.00 86.66 15 A 1 ATOM 124 C CD2 . LEU A 1 15 ? -2.609 -0.555 -5.108 1.00 87.62 15 A 1 ATOM 125 N N . ILE A 1 16 ? -4.294 -0.216 0.030 1.00 97.58 16 A 1 ATOM 126 C CA . ILE A 1 16 ? -5.099 -0.802 1.108 1.00 97.43 16 A 1 ATOM 127 C C . ILE A 1 16 ? -6.491 -0.163 1.144 1.00 97.87 16 A 1 ATOM 128 O O . ILE A 1 16 ? -7.482 -0.879 1.263 1.00 97.86 16 A 1 ATOM 129 C CB . ILE A 1 16 ? -4.370 -0.675 2.459 1.00 96.96 16 A 1 ATOM 130 C CG1 . ILE A 1 16 ? -3.134 -1.601 2.485 1.00 95.85 16 A 1 ATOM 131 C CG2 . ILE A 1 16 ? -5.304 -1.024 3.637 1.00 95.79 16 A 1 ATOM 132 C CD1 . ILE A 1 16 ? -2.153 -1.281 3.618 1.00 91.50 16 A 1 ATOM 133 N N . LEU A 1 17 ? -6.589 1.149 1.012 1.00 97.83 17 A 1 ATOM 134 C CA . LEU A 1 17 ? -7.869 1.855 1.004 1.00 97.80 17 A 1 ATOM 135 C C . LEU A 1 17 ? -8.735 1.464 -0.197 1.00 98.11 17 A 1 ATOM 136 O O . LEU A 1 17 ? -9.932 1.254 -0.026 1.00 97.91 17 A 1 ATOM 137 C CB . LEU A 1 17 ? -7.620 3.367 1.014 1.00 97.40 17 A 1 ATOM 138 C CG . LEU A 1 17 ? -7.081 3.912 2.347 1.00 93.40 17 A 1 ATOM 139 C CD1 . LEU A 1 17 ? -6.683 5.372 2.173 1.00 91.56 17 A 1 ATOM 140 C CD2 . LEU A 1 17 ? -8.118 3.816 3.465 1.00 92.23 17 A 1 ATOM 141 N N . LEU A 1 18 ? -8.146 1.308 -1.388 1.00 97.94 18 A 1 ATOM 142 C CA . LEU A 1 18 ? -8.860 0.851 -2.581 1.00 97.89 18 A 1 ATOM 143 C C . LEU A 1 18 ? -9.389 -0.575 -2.413 1.00 98.15 18 A 1 ATOM 144 O O . LEU A 1 18 ? -10.556 -0.818 -2.703 1.00 97.86 18 A 1 ATOM 145 C CB . LEU A 1 18 ? -7.932 0.945 -3.803 1.00 97.52 18 A 1 ATOM 146 C CG . LEU A 1 18 ? -7.653 2.383 -4.269 1.00 96.02 18 A 1 ATOM 147 C CD1 . LEU A 1 18 ? -6.570 2.363 -5.343 1.00 93.89 18 A 1 ATOM 148 C CD2 . LEU A 1 18 ? -8.898 3.054 -4.848 1.00 94.24 18 A 1 ATOM 149 N N . LEU A 1 19 ? -8.582 -1.495 -1.872 1.00 98.25 19 A 1 ATOM 150 C CA . LEU A 1 19 ? -9.017 -2.867 -1.598 1.00 98.21 19 A 1 ATOM 151 C C . LEU A 1 19 ? -10.159 -2.915 -0.579 1.00 98.42 19 A 1 ATOM 152 O O . LEU A 1 19 ? -11.125 -3.648 -0.771 1.00 98.18 19 A 1 ATOM 153 C CB . LEU A 1 19 ? -7.822 -3.682 -1.082 1.00 97.88 19 A 1 ATOM 154 C CG . LEU A 1 19 ? -6.773 -4.009 -2.156 1.00 94.67 19 A 1 ATOM 155 C CD1 . LEU A 1 19 ? -5.530 -4.588 -1.480 1.00 91.67 19 A 1 ATOM 156 C CD2 . LEU A 1 19 ? -7.295 -5.031 -3.166 1.00 92.48 19 A 1 ATOM 157 N N . LEU A 1 20 ? -10.082 -2.128 0.491 1.00 98.49 20 A 1 ATOM 158 C CA . LEU A 1 20 ? -11.163 -2.034 1.473 1.00 98.46 20 A 1 ATOM 159 C C . LEU A 1 20 ? -12.445 -1.490 0.841 1.00 98.50 20 A 1 ATOM 160 O O . LEU A 1 20 ? -13.525 -2.016 1.110 1.00 98.22 20 A 1 ATOM 161 C CB . LEU A 1 20 ? -10.725 -1.144 2.645 1.00 98.24 20 A 1 ATOM 162 C CG . LEU A 1 20 ? -9.673 -1.784 3.566 1.00 96.52 20 A 1 ATOM 163 C CD1 . LEU A 1 20 ? -9.184 -0.738 4.568 1.00 94.12 20 A 1 ATOM 164 C CD2 . LEU A 1 20 ? -10.239 -2.969 4.349 1.00 94.68 20 A 1 ATOM 165 N N . LEU A 1 21 ? -12.335 -0.484 -0.022 1.00 98.55 21 A 1 ATOM 166 C CA . LEU A 1 21 ? -13.470 0.081 -0.741 1.00 98.45 21 A 1 ATOM 167 C C . LEU A 1 21 ? -14.117 -0.956 -1.666 1.00 98.51 21 A 1 ATOM 168 O O . LEU A 1 21 ? -15.333 -1.115 -1.632 1.00 98.22 21 A 1 ATOM 169 C CB . LEU A 1 21 ? -12.995 1.323 -1.511 1.00 98.21 21 A 1 ATOM 170 C CG . LEU A 1 21 ? -14.125 2.089 -2.211 1.00 94.33 21 A 1 ATOM 171 C CD1 . LEU A 1 21 ? -15.066 2.750 -1.197 1.00 91.36 21 A 1 ATOM 172 C CD2 . LEU A 1 21 ? -13.531 3.181 -3.097 1.00 91.95 21 A 1 ATOM 173 N N . GLU A 1 22 ? -13.330 -1.700 -2.449 1.00 98.26 22 A 1 ATOM 174 C CA . GLU A 1 22 ? -13.846 -2.771 -3.309 1.00 98.20 22 A 1 ATOM 175 C C . GLU A 1 22 ? -14.582 -3.847 -2.506 1.00 98.32 22 A 1 ATOM 176 O O . GLU A 1 22 ? -15.696 -4.222 -2.867 1.00 97.90 22 A 1 ATOM 177 C CB . GLU A 1 22 ? -12.712 -3.415 -4.119 1.00 97.83 22 A 1 ATOM 178 C CG . GLU A 1 22 ? -12.260 -2.531 -5.286 1.00 90.00 22 A 1 ATOM 179 C CD . GLU A 1 22 ? -11.269 -3.259 -6.207 1.00 86.90 22 A 1 ATOM 180 O OE1 . GLU A 1 22 ? -11.341 -3.024 -7.430 1.00 77.60 22 A 1 ATOM 181 O OE2 . GLU A 1 22 ? -10.432 -4.042 -5.697 1.00 80.14 22 A 1 ATOM 182 N N . VAL A 1 23 ? -14.009 -4.312 -1.381 1.00 98.63 23 A 1 ATOM 183 C CA . VAL A 1 23 ? -14.648 -5.317 -0.516 1.00 98.53 23 A 1 ATOM 184 C C . VAL A 1 23 ? -15.962 -4.808 0.080 1.00 98.56 23 A 1 ATOM 185 O O . VAL A 1 23 ? -16.898 -5.586 0.243 1.00 97.98 23 A 1 ATOM 186 C CB . VAL A 1 23 ? -13.673 -5.764 0.588 1.00 98.09 23 A 1 ATOM 187 C CG1 . VAL A 1 23 ? -14.323 -6.665 1.643 1.00 95.56 23 A 1 ATOM 188 C CG2 . VAL A 1 23 ? -12.511 -6.560 -0.015 1.00 95.70 23 A 1 ATOM 189 N N . THR A 1 24 ? -16.065 -3.521 0.392 1.00 98.30 24 A 1 ATOM 190 C CA . THR A 1 24 ? -17.308 -2.954 0.948 1.00 98.21 24 A 1 ATOM 191 C C . THR A 1 24 ? -18.399 -2.716 -0.096 1.00 98.16 24 A 1 ATOM 192 O O . THR A 1 24 ? -19.566 -2.584 0.281 1.00 97.41 24 A 1 ATOM 193 C CB . THR A 1 24 ? -17.061 -1.645 1.705 1.00 97.69 24 A 1 ATOM 194 O OG1 . THR A 1 24 ? -16.412 -0.675 0.929 1.00 92.20 24 A 1 ATOM 195 C CG2 . THR A 1 24 ? -16.238 -1.861 2.975 1.00 90.04 24 A 1 ATOM 196 N N . LEU A 1 25 ? -18.035 -2.619 -1.378 1.00 98.40 25 A 1 ATOM 197 C CA . LEU A 1 25 ? -18.965 -2.359 -2.476 1.00 98.37 25 A 1 ATOM 198 C C . LEU A 1 25 ? -19.418 -3.638 -3.193 1.00 98.33 25 A 1 ATOM 199 O O . LEU A 1 25 ? -20.397 -3.581 -3.942 1.00 97.61 25 A 1 ATOM 200 C CB . LEU A 1 25 ? -18.305 -1.387 -3.469 1.00 97.95 25 A 1 ATOM 201 C CG . LEU A 1 25 ? -18.084 0.044 -2.935 1.00 96.01 25 A 1 ATOM 202 C CD1 . LEU A 1 25 ? -17.313 0.856 -3.978 1.00 92.95 25 A 1 ATOM 203 C CD2 . LEU A 1 25 ? -19.399 0.767 -2.649 1.00 92.28 25 A 1 ATOM 204 N N . ALA A 1 26 ? -18.715 -4.757 -2.987 1.00 96.52 26 A 1 ATOM 205 C CA . ALA A 1 26 ? -19.012 -6.064 -3.579 1.00 95.06 26 A 1 ATOM 206 C C . ALA A 1 26 ? -20.031 -6.854 -2.747 1.00 92.27 26 A 1 ATOM 207 O O . ALA A 1 26 ? -20.892 -7.520 -3.361 1.00 87.34 26 A 1 ATOM 208 C CB . ALA A 1 26 ? -17.696 -6.832 -3.737 1.00 91.11 26 A 1 ATOM 209 O OXT . ALA A 1 26 ? -19.919 -6.812 -1.492 1.00 79.21 26 A 1 #