# 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_spkb36697 # _entry.id spkb36697 # 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 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" "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" # _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 GLY 2 1 n ARG 3 1 n THR 4 1 n PHE 5 1 n ARG 6 1 n LEU 7 1 n LEU 8 1 n SER 9 1 n ALA 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n GLY 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n ILE 18 1 n ASN 19 1 n ALA 20 1 n CYS 21 1 n ALA 22 # _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 @ 2025-07-05 00:55:08)" _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 93.31 _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 79.36 1 1 A GLY 2 2 95.62 1 2 A ARG 3 2 84.35 1 3 A THR 4 2 94.63 1 4 A PHE 5 2 92.31 1 5 A ARG 6 2 88.68 1 6 A LEU 7 2 95.47 1 7 A LEU 8 2 95.26 1 8 A SER 9 2 95.74 1 9 A ALA 10 2 97.97 1 10 A LEU 11 2 95.46 1 11 A LEU 12 2 95.78 1 12 A LEU 13 2 95.69 1 13 A GLY 14 2 98.21 1 14 A LEU 15 2 96.57 1 15 A LEU 16 2 96.55 1 16 A LEU 17 2 96.55 1 17 A ILE 18 2 96.14 1 18 A ASN 19 2 95.09 1 19 A ALA 20 2 97.55 1 20 A CYS 21 2 94.48 1 21 A ALA 22 2 87.30 1 22 # _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 GLY . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n GLY . 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 ILE . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n ALA . 22 A 22 # _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 ? -3.390 8.402 15.191 1.00 86.42 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.969 7.202 14.433 1.00 87.37 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.512 7.337 13.988 1.00 88.79 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.019 8.448 13.788 1.00 84.26 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.870 7.012 13.214 1.00 80.55 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.274 6.578 13.660 1.00 75.01 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.022 7.787 14.757 1.00 71.09 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.175 6.740 15.622 1.00 61.41 1 A 1 ATOM 9 N N . GLY A 1 2 ? -0.848 6.229 13.849 1.00 94.81 2 A 1 ATOM 10 C CA . GLY A 1 2 ? 0.562 6.243 13.469 1.00 95.84 2 A 1 ATOM 11 C C . GLY A 1 2 ? 0.768 6.275 11.966 1.00 96.54 2 A 1 ATOM 12 O O . GLY A 1 2 ? -0.164 6.062 11.193 1.00 95.30 2 A 1 ATOM 13 N N . ARG A 1 3 ? 2.000 6.536 11.579 1.00 95.29 3 A 1 ATOM 14 C CA . ARG A 1 3 ? 2.348 6.574 10.151 1.00 95.96 3 A 1 ATOM 15 C C . ARG A 1 3 ? 2.481 5.155 9.597 1.00 96.97 3 A 1 ATOM 16 O O . ARG A 1 3 ? 2.328 4.937 8.402 1.00 95.60 3 A 1 ATOM 17 C CB . ARG A 1 3 ? 3.662 7.339 9.983 1.00 93.96 3 A 1 ATOM 18 C CG . ARG A 1 3 ? 3.942 7.645 8.530 1.00 85.40 3 A 1 ATOM 19 C CD . ARG A 1 3 ? 5.238 8.434 8.393 1.00 82.74 3 A 1 ATOM 20 N NE . ARG A 1 3 ? 5.036 9.838 8.775 1.00 75.75 3 A 1 ATOM 21 C CZ . ARG A 1 3 ? 6.003 10.745 8.757 1.00 74.06 3 A 1 ATOM 22 N NH1 . ARG A 1 3 ? 7.235 10.429 8.395 1.00 66.92 3 A 1 ATOM 23 N NH2 . ARG A 1 3 ? 5.740 11.980 9.109 1.00 65.19 3 A 1 ATOM 24 N N . THR A 1 4 ? 2.762 4.217 10.474 1.00 96.79 4 A 1 ATOM 25 C CA . THR A 1 4 ? 2.922 2.817 10.067 1.00 97.23 4 A 1 ATOM 26 C C . THR A 1 4 ? 1.658 2.295 9.385 1.00 97.35 4 A 1 ATOM 27 O O . THR A 1 4 ? 1.729 1.550 8.404 1.00 96.46 4 A 1 ATOM 28 C CB . THR A 1 4 ? 3.267 1.956 11.288 1.00 96.54 4 A 1 ATOM 29 O OG1 . THR A 1 4 ? 3.412 0.607 10.877 1.00 90.16 4 A 1 ATOM 30 C CG2 . THR A 1 4 ? 2.185 2.029 12.350 1.00 87.88 4 A 1 ATOM 31 N N . PHE A 1 5 ? 0.498 2.715 9.901 1.00 97.35 5 A 1 ATOM 32 C CA . PHE A 1 5 ? -0.778 2.290 9.316 1.00 97.37 5 A 1 ATOM 33 C C . PHE A 1 5 ? -0.932 2.860 7.911 1.00 97.72 5 A 1 ATOM 34 O O . PHE A 1 5 ? -1.503 2.222 7.025 1.00 97.27 5 A 1 ATOM 35 C CB . PHE A 1 5 ? -1.923 2.768 10.205 1.00 96.81 5 A 1 ATOM 36 C CG . PHE A 1 5 ? -3.157 1.931 9.992 1.00 92.90 5 A 1 ATOM 37 C CD1 . PHE A 1 5 ? -4.090 2.280 9.029 1.00 88.68 5 A 1 ATOM 38 C CD2 . PHE A 1 5 ? -3.367 0.788 10.755 1.00 88.34 5 A 1 ATOM 39 C CE1 . PHE A 1 5 ? -5.223 1.502 8.827 1.00 86.43 5 A 1 ATOM 40 C CE2 . PHE A 1 5 ? -4.499 0.003 10.560 1.00 86.72 5 A 1 ATOM 41 C CZ . PHE A 1 5 ? -5.430 0.364 9.592 1.00 85.77 5 A 1 ATOM 42 N N . ARG A 1 6 ? -0.417 4.061 7.709 1.00 97.13 6 A 1 ATOM 43 C CA . ARG A 1 6 ? -0.474 4.705 6.390 1.00 97.50 6 A 1 ATOM 44 C C . ARG A 1 6 ? 0.290 3.862 5.365 1.00 97.98 6 A 1 ATOM 45 O O . ARG A 1 6 ? -0.150 3.707 4.230 1.00 97.66 6 A 1 ATOM 46 C CB . ARG A 1 6 ? 0.140 6.102 6.498 1.00 97.12 6 A 1 ATOM 47 C CG . ARG A 1 6 ? 0.091 6.891 5.201 1.00 92.19 6 A 1 ATOM 48 C CD . ARG A 1 6 ? -1.330 7.180 4.785 1.00 88.88 6 A 1 ATOM 49 N NE . ARG A 1 6 ? -1.380 8.121 3.653 1.00 82.65 6 A 1 ATOM 50 C CZ . ARG A 1 6 ? -1.339 9.433 3.785 1.00 80.01 6 A 1 ATOM 51 N NH1 . ARG A 1 6 ? -1.195 9.993 4.966 1.00 71.84 6 A 1 ATOM 52 N NH2 . ARG A 1 6 ? -1.441 10.200 2.713 1.00 72.49 6 A 1 ATOM 53 N N . LEU A 1 7 ? 1.434 3.336 5.771 1.00 97.65 7 A 1 ATOM 54 C CA . LEU A 1 7 ? 2.246 2.502 4.882 1.00 97.99 7 A 1 ATOM 55 C C . LEU A 1 7 ? 1.508 1.209 4.541 1.00 98.26 7 A 1 ATOM 56 O O . LEU A 1 7 ? 1.508 0.775 3.388 1.00 98.12 7 A 1 ATOM 57 C CB . LEU A 1 7 ? 3.575 2.182 5.565 1.00 97.96 7 A 1 ATOM 58 C CG . LEU A 1 7 ? 4.465 3.412 5.743 1.00 93.66 7 A 1 ATOM 59 C CD1 . LEU A 1 7 ? 5.550 3.131 6.767 1.00 89.71 7 A 1 ATOM 60 C CD2 . LEU A 1 7 ? 5.101 3.792 4.406 1.00 90.38 7 A 1 ATOM 61 N N . LEU A 1 8 ? 0.885 0.622 5.545 1.00 98.15 8 A 1 ATOM 62 C CA . LEU A 1 8 ? 0.138 -0.621 5.333 1.00 98.23 8 A 1 ATOM 63 C C . LEU A 1 8 ? -1.048 -0.388 4.400 1.00 98.37 8 A 1 ATOM 64 O O . LEU A 1 8 ? -1.297 -1.186 3.496 1.00 98.33 8 A 1 ATOM 65 C CB . LEU A 1 8 ? -0.351 -1.147 6.682 1.00 98.12 8 A 1 ATOM 66 C CG . LEU A 1 8 ? 0.774 -1.714 7.543 1.00 93.43 8 A 1 ATOM 67 C CD1 . LEU A 1 8 ? 0.324 -1.829 8.988 1.00 88.03 8 A 1 ATOM 68 C CD2 . LEU A 1 8 ? 1.190 -3.087 7.018 1.00 89.44 8 A 1 ATOM 69 N N . SER A 1 9 ? -1.769 0.697 4.618 1.00 98.13 9 A 1 ATOM 70 C CA . SER A 1 9 ? -2.926 1.020 3.780 1.00 98.09 9 A 1 ATOM 71 C C . SER A 1 9 ? -2.487 1.299 2.346 1.00 98.21 9 A 1 ATOM 72 O O . SER A 1 9 ? -3.149 0.889 1.395 1.00 98.06 9 A 1 ATOM 73 C CB . SER A 1 9 ? -3.647 2.236 4.353 1.00 97.62 9 A 1 ATOM 74 O OG . SER A 1 9 ? -2.823 3.372 4.286 1.00 84.31 9 A 1 ATOM 75 N N . ALA A 1 10 ? -1.370 1.986 2.192 1.00 98.06 10 A 1 ATOM 76 C CA . ALA A 1 10 ? -0.840 2.296 0.861 1.00 98.04 10 A 1 ATOM 77 C C . ALA A 1 10 ? -0.426 1.015 0.142 1.00 98.22 10 A 1 ATOM 78 O O . ALA A 1 10 ? -0.641 0.874 -1.062 1.00 97.80 10 A 1 ATOM 79 C CB . ALA A 1 10 ? 0.356 3.236 0.996 1.00 97.72 10 A 1 ATOM 80 N N . LEU A 1 11 ? 0.165 0.097 0.888 1.00 98.02 11 A 1 ATOM 81 C CA . LEU A 1 11 ? 0.602 -1.179 0.322 1.00 98.07 11 A 1 ATOM 82 C C . LEU A 1 11 ? -0.601 -1.971 -0.182 1.00 98.33 11 A 1 ATOM 83 O O . LEU A 1 11 ? -0.576 -2.533 -1.276 1.00 98.21 11 A 1 ATOM 84 C CB . LEU A 1 11 ? 1.351 -1.980 1.400 1.00 97.93 11 A 1 ATOM 85 C CG . LEU A 1 11 ? 2.621 -2.662 0.894 1.00 92.97 11 A 1 ATOM 86 C CD1 . LEU A 1 11 ? 2.321 -3.610 -0.253 1.00 89.44 11 A 1 ATOM 87 C CD2 . LEU A 1 11 ? 3.646 -1.624 0.485 1.00 90.69 11 A 1 ATOM 88 N N . LEU A 1 12 ? -1.650 -2.009 0.630 1.00 98.10 12 A 1 ATOM 89 C CA . LEU A 1 12 ? -2.867 -2.738 0.261 1.00 98.17 12 A 1 ATOM 90 C C . LEU A 1 12 ? -3.508 -2.127 -0.985 1.00 98.32 12 A 1 ATOM 91 O O . LEU A 1 12 ? -3.923 -2.848 -1.896 1.00 98.24 12 A 1 ATOM 92 C CB . LEU A 1 12 ? -3.845 -2.692 1.438 1.00 98.08 12 A 1 ATOM 93 C CG . LEU A 1 12 ? -3.477 -3.683 2.541 1.00 93.79 12 A 1 ATOM 94 C CD1 . LEU A 1 12 ? -4.109 -3.269 3.859 1.00 90.33 12 A 1 ATOM 95 C CD2 . LEU A 1 12 ? -3.948 -5.082 2.156 1.00 91.25 12 A 1 ATOM 96 N N . LEU A 1 13 ? -3.577 -0.810 -1.024 1.00 98.22 13 A 1 ATOM 97 C CA . LEU A 1 13 ? -4.151 -0.114 -2.179 1.00 98.15 13 A 1 ATOM 98 C C . LEU A 1 13 ? -3.314 -0.366 -3.425 1.00 98.32 13 A 1 ATOM 99 O O . LEU A 1 13 ? -3.855 -0.577 -4.514 1.00 98.12 13 A 1 ATOM 100 C CB . LEU A 1 13 ? -4.214 1.383 -1.875 1.00 97.84 13 A 1 ATOM 101 C CG . LEU A 1 13 ? -5.497 1.774 -1.145 1.00 93.13 13 A 1 ATOM 102 C CD1 . LEU A 1 13 ? -5.296 3.077 -0.381 1.00 90.59 13 A 1 ATOM 103 C CD2 . LEU A 1 13 ? -6.634 1.925 -2.145 1.00 91.11 13 A 1 ATOM 104 N N . GLY A 1 14 ? -2.008 -0.340 -3.256 1.00 98.16 14 A 1 ATOM 105 C CA . GLY A 1 14 ? -1.105 -0.593 -4.378 1.00 98.13 14 A 1 ATOM 106 C C . GLY A 1 14 ? -1.269 -2.003 -4.908 1.00 98.39 14 A 1 ATOM 107 O O . GLY A 1 14 ? -1.272 -2.222 -6.117 1.00 98.16 14 A 1 ATOM 108 N N . LEU A 1 15 ? -1.412 -2.954 -4.003 1.00 98.17 15 A 1 ATOM 109 C CA . LEU A 1 15 ? -1.586 -4.359 -4.381 1.00 98.21 15 A 1 ATOM 110 C C . LEU A 1 15 ? -2.852 -4.520 -5.219 1.00 98.34 15 A 1 ATOM 111 O O . LEU A 1 15 ? -2.860 -5.227 -6.227 1.00 98.10 15 A 1 ATOM 112 C CB . LEU A 1 15 ? -1.664 -5.218 -3.107 1.00 98.10 15 A 1 ATOM 113 C CG . LEU A 1 15 ? -1.033 -6.607 -3.256 1.00 95.95 15 A 1 ATOM 114 C CD1 . LEU A 1 15 ? -1.748 -7.440 -4.304 1.00 92.89 15 A 1 ATOM 115 C CD2 . LEU A 1 15 ? 0.445 -6.475 -3.583 1.00 92.78 15 A 1 ATOM 116 N N . LEU A 1 16 ? -3.916 -3.869 -4.792 1.00 98.36 16 A 1 ATOM 117 C CA . LEU A 1 16 ? -5.189 -3.936 -5.517 1.00 98.28 16 A 1 ATOM 118 C C . LEU A 1 16 ? -5.037 -3.367 -6.927 1.00 98.31 16 A 1 ATOM 119 O O . LEU A 1 16 ? -5.536 -3.943 -7.897 1.00 98.04 16 A 1 ATOM 120 C CB . LEU A 1 16 ? -6.249 -3.151 -4.744 1.00 98.23 16 A 1 ATOM 121 C CG . LEU A 1 16 ? -7.642 -3.272 -5.361 1.00 96.12 16 A 1 ATOM 122 C CD1 . LEU A 1 16 ? -8.226 -4.661 -5.089 1.00 92.16 16 A 1 ATOM 123 C CD2 . LEU A 1 16 ? -8.562 -2.208 -4.781 1.00 92.91 16 A 1 ATOM 124 N N . LEU A 1 17 ? -4.348 -2.239 -7.041 1.00 98.36 17 A 1 ATOM 125 C CA . LEU A 1 17 ? -4.136 -1.599 -8.341 1.00 98.28 17 A 1 ATOM 126 C C . LEU A 1 17 ? -3.275 -2.475 -9.240 1.00 98.28 17 A 1 ATOM 127 O O . LEU A 1 17 ? -3.548 -2.607 -10.433 1.00 97.96 17 A 1 ATOM 128 C CB . LEU A 1 17 ? -3.466 -0.241 -8.128 1.00 98.13 17 A 1 ATOM 129 C CG . LEU A 1 17 ? -4.444 0.832 -7.651 1.00 96.02 17 A 1 ATOM 130 C CD1 . LEU A 1 17 ? -3.686 1.996 -7.020 1.00 92.74 17 A 1 ATOM 131 C CD2 . LEU A 1 17 ? -5.280 1.336 -8.825 1.00 92.65 17 A 1 ATOM 132 N N . ILE A 1 18 ? -2.246 -3.065 -8.667 1.00 98.31 18 A 1 ATOM 133 C CA . ILE A 1 18 ? -1.356 -3.941 -9.429 1.00 98.00 18 A 1 ATOM 134 C C . ILE A 1 18 ? -2.128 -5.157 -9.937 1.00 98.01 18 A 1 ATOM 135 O O . ILE A 1 18 ? -1.957 -5.580 -11.084 1.00 97.51 18 A 1 ATOM 136 C CB . ILE A 1 18 ? -0.167 -4.374 -8.555 1.00 97.48 18 A 1 ATOM 137 C CG1 . ILE A 1 18 ? 0.746 -3.177 -8.262 1.00 95.27 18 A 1 ATOM 138 C CG2 . ILE A 1 18 ? 0.641 -5.465 -9.271 1.00 94.47 18 A 1 ATOM 139 C CD1 . ILE A 1 18 ? 1.632 -3.404 -7.048 1.00 90.10 18 A 1 ATOM 140 N N . ASN A 1 19 ? -2.971 -5.707 -9.081 1.00 98.09 19 A 1 ATOM 141 C CA . ASN A 1 19 ? -3.774 -6.872 -9.465 1.00 97.88 19 A 1 ATOM 142 C C . ASN A 1 19 ? -4.738 -6.514 -10.588 1.00 97.99 19 A 1 ATOM 143 O O . ASN A 1 19 ? -4.949 -7.299 -11.513 1.00 97.56 19 A 1 ATOM 144 C CB . ASN A 1 19 ? -4.556 -7.385 -8.253 1.00 97.38 19 A 1 ATOM 145 C CG . ASN A 1 19 ? -3.997 -8.707 -7.766 1.00 94.54 19 A 1 ATOM 146 O OD1 . ASN A 1 19 ? -2.805 -8.858 -7.565 1.00 89.16 19 A 1 ATOM 147 N ND2 . ASN A 1 19 ? -4.861 -9.685 -7.568 1.00 88.10 19 A 1 ATOM 148 N N . ALA A 1 20 ? -5.332 -5.341 -10.506 1.00 97.97 20 A 1 ATOM 149 C CA . ALA A 1 20 ? -6.273 -4.886 -11.529 1.00 97.77 20 A 1 ATOM 150 C C . ALA A 1 20 ? -5.554 -4.565 -12.838 1.00 97.83 20 A 1 ATOM 151 O O . ALA A 1 20 ? -6.084 -4.815 -13.923 1.00 96.94 20 A 1 ATOM 152 C CB . ALA A 1 20 ? -7.018 -3.654 -11.025 1.00 97.22 20 A 1 ATOM 153 N N . CYS A 1 21 ? -4.357 -4.008 -12.738 1.00 96.80 21 A 1 ATOM 154 C CA . CYS A 1 21 ? -3.571 -3.648 -13.923 1.00 96.63 21 A 1 ATOM 155 C C . CYS A 1 21 ? -2.887 -4.867 -14.533 1.00 96.67 21 A 1 ATOM 156 O O . CYS A 1 21 ? -2.935 -5.080 -15.740 1.00 94.80 21 A 1 ATOM 157 C CB . CYS A 1 21 ? -2.522 -2.600 -13.546 1.00 95.01 21 A 1 ATOM 158 S SG . CYS A 1 21 ? -3.237 -0.942 -13.461 1.00 86.99 21 A 1 ATOM 159 N N . ALA A 1 22 ? -2.234 -5.640 -13.678 1.00 94.03 22 A 1 ATOM 160 C CA . ALA A 1 22 ? -1.506 -6.817 -14.133 1.00 92.01 22 A 1 ATOM 161 C C . ALA A 1 22 ? -2.379 -8.067 -14.042 1.00 88.77 22 A 1 ATOM 162 O O . ALA A 1 22 ? -3.026 -8.261 -13.002 1.00 83.69 22 A 1 ATOM 163 C CB . ALA A 1 22 ? -0.234 -6.989 -13.317 1.00 87.70 22 A 1 ATOM 164 O OXT . ALA A 1 22 ? -2.398 -8.848 -14.998 1.00 77.61 22 A 1 #