# 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_spkb09839 # _entry.id spkb09839 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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" "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 GLN 2 1 n SER 3 1 n SER 4 1 n ALA 5 1 n SER 6 1 n ARG 7 1 n CYS 8 1 n GLY 9 1 n ARG 10 1 n ALA 11 1 n LEU 12 1 n VAL 13 1 n ALA 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n ALA 18 1 n CYS 19 1 n GLY 20 1 n LEU 21 1 n LEU 22 1 n GLY 23 1 n VAL 24 1 n TRP 25 1 n GLY 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 @ 2025-07-09 20:03:12)" _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 87.70 _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 72.57 1 1 A GLN 2 2 69.27 1 2 A SER 3 2 80.21 1 3 A SER 4 2 83.30 1 4 A ALA 5 2 86.23 1 5 A SER 6 2 87.41 1 6 A ARG 7 2 81.97 1 7 A CYS 8 2 89.54 1 8 A GLY 9 2 92.07 1 9 A ARG 10 2 85.46 1 10 A ALA 11 2 94.00 1 11 A LEU 12 2 90.27 1 12 A VAL 13 2 93.71 1 13 A ALA 14 2 95.09 1 14 A LEU 15 2 91.85 1 15 A LEU 16 2 93.09 1 16 A LEU 17 2 92.80 1 17 A ALA 18 2 95.13 1 18 A CYS 19 2 94.12 1 19 A GLY 20 2 96.59 1 20 A LEU 21 2 94.58 1 21 A LEU 22 2 93.62 1 22 A GLY 23 2 94.88 1 23 A VAL 24 2 90.91 1 24 A TRP 25 2 83.71 1 25 A GLY 26 2 81.52 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 GLN . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n ARG . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n ALA . 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 ALA . 18 A 18 A 19 1 n CYS . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n TRP . 25 A 25 A 26 1 n GLY . 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 ? 1.960 -18.891 4.882 1.00 78.43 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.457 -18.175 3.686 1.00 79.33 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.476 -17.052 3.391 1.00 81.74 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.322 -17.336 3.109 1.00 74.98 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.552 -19.135 2.495 1.00 73.94 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.660 -20.176 2.703 1.00 70.09 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.641 -21.455 1.421 1.00 64.66 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.996 -22.496 1.970 1.00 57.39 1 A 1 ATOM 9 N N . GLN A 1 2 ? 1.876 -15.794 3.529 1.00 78.53 2 A 1 ATOM 10 C CA . GLN A 1 2 ? 1.014 -14.684 3.112 1.00 78.10 2 A 1 ATOM 11 C C . GLN A 1 2 ? 0.834 -14.761 1.597 1.00 79.06 2 A 1 ATOM 12 O O . GLN A 1 2 ? 1.825 -14.789 0.858 1.00 74.97 2 A 1 ATOM 13 C CB . GLN A 1 2 ? 1.609 -13.340 3.530 1.00 73.52 2 A 1 ATOM 14 C CG . GLN A 1 2 ? 1.290 -12.993 4.989 1.00 64.40 2 A 1 ATOM 15 C CD . GLN A 1 2 ? 1.846 -11.630 5.395 1.00 61.48 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? 2.787 -11.117 4.821 1.00 58.39 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? 1.289 -10.996 6.401 1.00 55.00 2 A 1 ATOM 18 N N . SER A 1 3 ? -0.414 -14.835 1.137 1.00 82.10 3 A 1 ATOM 19 C CA . SER A 1 3 ? -0.715 -14.877 -0.286 1.00 84.02 3 A 1 ATOM 20 C C . SER A 1 3 ? -0.192 -13.608 -0.967 1.00 86.72 3 A 1 ATOM 21 O O . SER A 1 3 ? -0.150 -12.530 -0.368 1.00 81.81 3 A 1 ATOM 22 C CB . SER A 1 3 ? -2.213 -15.079 -0.512 1.00 79.13 3 A 1 ATOM 23 O OG . SER A 1 3 ? -2.947 -13.993 0.001 1.00 67.49 3 A 1 ATOM 24 N N . SER A 1 4 ? 0.202 -13.713 -2.237 1.00 85.46 4 A 1 ATOM 25 C CA . SER A 1 4 ? 0.663 -12.570 -3.038 1.00 87.53 4 A 1 ATOM 26 C C . SER A 1 4 ? -0.355 -11.422 -3.029 1.00 89.41 4 A 1 ATOM 27 O O . SER A 1 4 ? 0.023 -10.252 -2.974 1.00 85.59 4 A 1 ATOM 28 C CB . SER A 1 4 ? 0.929 -13.048 -4.464 1.00 83.01 4 A 1 ATOM 29 O OG . SER A 1 4 ? 1.541 -12.021 -5.207 1.00 68.77 4 A 1 ATOM 30 N N . ALA A 1 5 ? -1.654 -11.745 -2.964 1.00 84.79 5 A 1 ATOM 31 C CA . ALA A 1 5 ? -2.746 -10.780 -2.847 1.00 87.30 5 A 1 ATOM 32 C C . ALA A 1 5 ? -2.651 -9.924 -1.570 1.00 89.42 5 A 1 ATOM 33 O O . ALA A 1 5 ? -2.895 -8.721 -1.623 1.00 86.17 5 A 1 ATOM 34 C CB . ALA A 1 5 ? -4.068 -11.550 -2.904 1.00 83.49 5 A 1 ATOM 35 N N . SER A 1 6 ? -2.240 -10.504 -0.428 1.00 90.20 6 A 1 ATOM 36 C CA . SER A 1 6 ? -2.062 -9.764 0.828 1.00 91.26 6 A 1 ATOM 37 C C . SER A 1 6 ? -0.917 -8.748 0.741 1.00 92.63 6 A 1 ATOM 38 O O . SER A 1 6 ? -1.025 -7.630 1.251 1.00 89.76 6 A 1 ATOM 39 C CB . SER A 1 6 ? -1.823 -10.746 1.974 1.00 87.94 6 A 1 ATOM 40 O OG . SER A 1 6 ? -1.741 -10.054 3.202 1.00 72.64 6 A 1 ATOM 41 N N . ARG A 1 7 ? 0.187 -9.086 0.051 1.00 90.68 7 A 1 ATOM 42 C CA . ARG A 1 7 ? 1.288 -8.145 -0.199 1.00 91.97 7 A 1 ATOM 43 C C . ARG A 1 7 ? 0.853 -7.016 -1.123 1.00 93.87 7 A 1 ATOM 44 O O . ARG A 1 7 ? 1.185 -5.862 -0.849 1.00 92.38 7 A 1 ATOM 45 C CB . ARG A 1 7 ? 2.511 -8.846 -0.796 1.00 90.65 7 A 1 ATOM 46 C CG . ARG A 1 7 ? 3.178 -9.817 0.178 1.00 83.36 7 A 1 ATOM 47 C CD . ARG A 1 7 ? 4.526 -10.236 -0.402 1.00 81.09 7 A 1 ATOM 48 N NE . ARG A 1 7 ? 5.050 -11.452 0.252 1.00 73.93 7 A 1 ATOM 49 C CZ . ARG A 1 7 ? 6.200 -12.039 -0.039 1.00 72.75 7 A 1 ATOM 50 N NH1 . ARG A 1 7 ? 7.046 -11.529 -0.892 1.00 64.48 7 A 1 ATOM 51 N NH2 . ARG A 1 7 ? 6.513 -13.176 0.521 1.00 66.48 7 A 1 ATOM 52 N N . CYS A 1 8 ? 0.102 -7.321 -2.163 1.00 92.27 8 A 1 ATOM 53 C CA . CYS A 1 8 ? -0.431 -6.326 -3.088 1.00 92.67 8 A 1 ATOM 54 C C . CYS A 1 8 ? -1.352 -5.330 -2.363 1.00 93.63 8 A 1 ATOM 55 O O . CYS A 1 8 ? -1.198 -4.124 -2.525 1.00 91.09 8 A 1 ATOM 56 C CB . CYS A 1 8 ? -1.154 -7.048 -4.231 1.00 90.47 8 A 1 ATOM 57 S SG . CYS A 1 8 ? -1.598 -5.849 -5.517 1.00 77.11 8 A 1 ATOM 58 N N . GLY A 1 9 ? -2.231 -5.819 -1.484 1.00 91.21 9 A 1 ATOM 59 C CA . GLY A 1 9 ? -3.098 -4.968 -0.669 1.00 91.68 9 A 1 ATOM 60 C C . GLY A 1 9 ? -2.313 -4.001 0.224 1.00 93.35 9 A 1 ATOM 61 O O . GLY A 1 9 ? -2.608 -2.810 0.251 1.00 92.04 9 A 1 ATOM 62 N N . ARG A 1 10 ? -1.263 -4.482 0.917 1.00 93.41 10 A 1 ATOM 63 C CA . ARG A 1 10 ? -0.396 -3.615 1.736 1.00 94.29 10 A 1 ATOM 64 C C . ARG A 1 10 ? 0.360 -2.589 0.893 1.00 95.80 10 A 1 ATOM 65 O O . ARG A 1 10 ? 0.501 -1.452 1.339 1.00 94.80 10 A 1 ATOM 66 C CB . ARG A 1 10 ? 0.592 -4.445 2.560 1.00 92.91 10 A 1 ATOM 67 C CG . ARG A 1 10 ? -0.112 -5.200 3.692 1.00 86.61 10 A 1 ATOM 68 C CD . ARG A 1 10 ? 0.905 -5.885 4.613 1.00 83.99 10 A 1 ATOM 69 N NE . ARG A 1 10 ? 1.579 -4.902 5.493 1.00 78.72 10 A 1 ATOM 70 C CZ . ARG A 1 10 ? 2.513 -5.184 6.403 1.00 77.24 10 A 1 ATOM 71 N NH1 . ARG A 1 10 ? 2.965 -6.397 6.568 1.00 70.92 10 A 1 ATOM 72 N NH2 . ARG A 1 10 ? 2.992 -4.236 7.170 1.00 71.38 10 A 1 ATOM 73 N N . ALA A 1 11 ? 0.828 -2.959 -0.295 1.00 93.69 11 A 1 ATOM 74 C CA . ALA A 1 11 ? 1.511 -2.043 -1.204 1.00 93.99 11 A 1 ATOM 75 C C . ALA A 1 11 ? 0.571 -0.924 -1.685 1.00 95.06 11 A 1 ATOM 76 O O . ALA A 1 11 ? 0.965 0.237 -1.687 1.00 93.78 11 A 1 ATOM 77 C CB . ALA A 1 11 ? 2.092 -2.840 -2.377 1.00 93.46 11 A 1 ATOM 78 N N . LEU A 1 12 ? -0.685 -1.251 -2.007 1.00 93.97 12 A 1 ATOM 79 C CA . LEU A 1 12 ? -1.699 -0.269 -2.391 1.00 93.81 12 A 1 ATOM 80 C C . LEU A 1 12 ? -2.021 0.691 -1.243 1.00 94.89 12 A 1 ATOM 81 O O . LEU A 1 12 ? -2.058 1.898 -1.463 1.00 94.40 12 A 1 ATOM 82 C CB . LEU A 1 12 ? -2.972 -0.994 -2.853 1.00 93.42 12 A 1 ATOM 83 C CG . LEU A 1 12 ? -2.847 -1.674 -4.222 1.00 86.28 12 A 1 ATOM 84 C CD1 . LEU A 1 12 ? -4.087 -2.529 -4.477 1.00 82.35 12 A 1 ATOM 85 C CD2 . LEU A 1 12 ? -2.713 -0.654 -5.354 1.00 83.02 12 A 1 ATOM 86 N N . VAL A 1 13 ? -2.185 0.185 -0.016 1.00 94.91 13 A 1 ATOM 87 C CA . VAL A 1 13 ? -2.416 1.035 1.163 1.00 95.03 13 A 1 ATOM 88 C C . VAL A 1 13 ? -1.229 1.973 1.402 1.00 95.77 13 A 1 ATOM 89 O O . VAL A 1 13 ? -1.436 3.165 1.628 1.00 95.38 13 A 1 ATOM 90 C CB . VAL A 1 13 ? -2.709 0.183 2.405 1.00 94.37 13 A 1 ATOM 91 C CG1 . VAL A 1 13 ? -2.751 1.015 3.691 1.00 90.13 13 A 1 ATOM 92 C CG2 . VAL A 1 13 ? -4.066 -0.508 2.266 1.00 90.36 13 A 1 ATOM 93 N N . ALA A 1 14 ? 0.004 1.470 1.317 1.00 95.46 14 A 1 ATOM 94 C CA . ALA A 1 14 ? 1.199 2.300 1.468 1.00 95.18 14 A 1 ATOM 95 C C . ALA A 1 14 ? 1.291 3.384 0.380 1.00 95.73 14 A 1 ATOM 96 O O . ALA A 1 14 ? 1.633 4.526 0.686 1.00 94.69 14 A 1 ATOM 97 C CB . ALA A 1 14 ? 2.434 1.390 1.455 1.00 94.41 14 A 1 ATOM 98 N N . LEU A 1 15 ? 0.931 3.052 -0.863 1.00 95.21 15 A 1 ATOM 99 C CA . LEU A 1 15 ? 0.886 4.005 -1.967 1.00 94.55 15 A 1 ATOM 100 C C . LEU A 1 15 ? -0.164 5.092 -1.725 1.00 95.44 15 A 1 ATOM 101 O O . LEU A 1 15 ? 0.135 6.272 -1.884 1.00 94.86 15 A 1 ATOM 102 C CB . LEU A 1 15 ? 0.616 3.243 -3.272 1.00 94.04 15 A 1 ATOM 103 C CG . LEU A 1 15 ? 0.637 4.136 -4.525 1.00 88.58 15 A 1 ATOM 104 C CD1 . LEU A 1 15 ? 2.046 4.680 -4.809 1.00 86.07 15 A 1 ATOM 105 C CD2 . LEU A 1 15 ? 0.171 3.333 -5.733 1.00 86.06 15 A 1 ATOM 106 N N . LEU A 1 16 ? -1.375 4.717 -1.294 1.00 94.56 16 A 1 ATOM 107 C CA . LEU A 1 16 ? -2.449 5.661 -0.984 1.00 94.44 16 A 1 ATOM 108 C C . LEU A 1 16 ? -2.067 6.599 0.165 1.00 95.22 16 A 1 ATOM 109 O O . LEU A 1 16 ? -2.323 7.800 0.077 1.00 95.09 16 A 1 ATOM 110 C CB . LEU A 1 16 ? -3.731 4.885 -0.636 1.00 94.47 16 A 1 ATOM 111 C CG . LEU A 1 16 ? -4.410 4.218 -1.845 1.00 92.34 16 A 1 ATOM 112 C CD1 . LEU A 1 16 ? -5.519 3.284 -1.353 1.00 89.18 16 A 1 ATOM 113 C CD2 . LEU A 1 16 ? -5.029 5.245 -2.795 1.00 89.41 16 A 1 ATOM 114 N N . LEU A 1 17 ? -1.407 6.089 1.207 1.00 95.22 17 A 1 ATOM 115 C CA . LEU A 1 17 ? -0.899 6.915 2.303 1.00 94.76 17 A 1 ATOM 116 C C . LEU A 1 17 ? 0.162 7.905 1.811 1.00 95.49 17 A 1 ATOM 117 O O . LEU A 1 17 ? 0.097 9.086 2.157 1.00 95.27 17 A 1 ATOM 118 C CB . LEU A 1 17 ? -0.326 6.011 3.405 1.00 94.25 17 A 1 ATOM 119 C CG . LEU A 1 17 ? -1.397 5.269 4.228 1.00 90.99 17 A 1 ATOM 120 C CD1 . LEU A 1 17 ? -0.718 4.223 5.120 1.00 88.21 17 A 1 ATOM 121 C CD2 . LEU A 1 17 ? -2.192 6.216 5.123 1.00 88.18 17 A 1 ATOM 122 N N . ALA A 1 18 ? 1.108 7.462 0.978 1.00 95.74 18 A 1 ATOM 123 C CA . ALA A 1 18 ? 2.130 8.339 0.407 1.00 95.23 18 A 1 ATOM 124 C C . ALA A 1 18 ? 1.510 9.425 -0.493 1.00 95.95 18 A 1 ATOM 125 O O . ALA A 1 18 ? 1.853 10.601 -0.361 1.00 94.59 18 A 1 ATOM 126 C CB . ALA A 1 18 ? 3.146 7.478 -0.358 1.00 94.16 18 A 1 ATOM 127 N N . CYS A 1 19 ? 0.552 9.065 -1.356 1.00 95.30 19 A 1 ATOM 128 C CA . CYS A 1 19 ? -0.167 10.017 -2.199 1.00 95.18 19 A 1 ATOM 129 C C . CYS A 1 19 ? -1.014 10.994 -1.373 1.00 95.80 19 A 1 ATOM 130 O O . CYS A 1 19 ? -1.062 12.175 -1.700 1.00 94.13 19 A 1 ATOM 131 C CB . CYS A 1 19 ? -1.051 9.246 -3.190 1.00 93.93 19 A 1 ATOM 132 S SG . CYS A 1 19 ? -0.045 8.382 -4.428 1.00 90.40 19 A 1 ATOM 133 N N . GLY A 1 20 ? -1.636 10.529 -0.293 1.00 96.49 20 A 1 ATOM 134 C CA . GLY A 1 20 ? -2.383 11.374 0.639 1.00 96.36 20 A 1 ATOM 135 C C . GLY A 1 20 ? -1.492 12.410 1.333 1.00 97.03 20 A 1 ATOM 136 O O . GLY A 1 20 ? -1.854 13.584 1.397 1.00 96.49 20 A 1 ATOM 137 N N . LEU A 1 21 ? -0.295 12.006 1.789 1.00 96.85 21 A 1 ATOM 138 C CA . LEU A 1 21 ? 0.688 12.923 2.388 1.00 96.62 21 A 1 ATOM 139 C C . LEU A 1 21 ? 1.179 13.978 1.388 1.00 96.74 21 A 1 ATOM 140 O O . LEU A 1 21 ? 1.416 15.124 1.773 1.00 96.00 21 A 1 ATOM 141 C CB . LEU A 1 21 ? 1.887 12.113 2.916 1.00 96.28 21 A 1 ATOM 142 C CG . LEU A 1 21 ? 1.589 11.292 4.184 1.00 94.26 21 A 1 ATOM 143 C CD1 . LEU A 1 21 ? 2.766 10.356 4.473 1.00 90.02 21 A 1 ATOM 144 C CD2 . LEU A 1 21 ? 1.367 12.180 5.404 1.00 89.84 21 A 1 ATOM 145 N N . LEU A 1 22 ? 1.310 13.612 0.110 1.00 96.87 22 A 1 ATOM 146 C CA . LEU A 1 22 ? 1.718 14.527 -0.959 1.00 96.43 22 A 1 ATOM 147 C C . LEU A 1 22 ? 0.556 15.377 -1.493 1.00 96.61 22 A 1 ATOM 148 O O . LEU A 1 22 ? 0.790 16.301 -2.272 1.00 94.98 22 A 1 ATOM 149 C CB . LEU A 1 22 ? 2.377 13.710 -2.086 1.00 95.67 22 A 1 ATOM 150 C CG . LEU A 1 22 ? 3.712 13.054 -1.696 1.00 93.25 22 A 1 ATOM 151 C CD1 . LEU A 1 22 ? 4.157 12.104 -2.810 1.00 88.31 22 A 1 ATOM 152 C CD2 . LEU A 1 22 ? 4.812 14.088 -1.474 1.00 86.87 22 A 1 ATOM 153 N N . GLY A 1 23 ? -0.698 15.079 -1.104 1.00 95.56 23 A 1 ATOM 154 C CA . GLY A 1 23 ? -1.891 15.792 -1.579 1.00 94.99 23 A 1 ATOM 155 C C . GLY A 1 23 ? -2.189 15.567 -3.063 1.00 95.22 23 A 1 ATOM 156 O O . GLY A 1 23 ? -2.860 16.390 -3.681 1.00 93.76 23 A 1 ATOM 157 N N . VAL A 1 24 ? -1.686 14.461 -3.645 1.00 94.89 24 A 1 ATOM 158 C CA . VAL A 1 24 ? -1.883 14.162 -5.082 1.00 94.05 24 A 1 ATOM 159 C C . VAL A 1 24 ? -3.287 13.622 -5.358 1.00 94.08 24 A 1 ATOM 160 O O . VAL A 1 24 ? -3.852 13.869 -6.424 1.00 92.21 24 A 1 ATOM 161 C CB . VAL A 1 24 ? -0.804 13.175 -5.577 1.00 92.22 24 A 1 ATOM 162 C CG1 . VAL A 1 24 ? -0.961 12.818 -7.058 1.00 84.09 24 A 1 ATOM 163 C CG2 . VAL A 1 24 ? 0.600 13.760 -5.398 1.00 84.80 24 A 1 ATOM 164 N N . TRP A 1 25 ? -3.857 12.874 -4.397 1.00 90.46 25 A 1 ATOM 165 C CA . TRP A 1 25 ? -5.174 12.231 -4.503 1.00 88.53 25 A 1 ATOM 166 C C . TRP A 1 25 ? -6.171 12.735 -3.446 1.00 88.49 25 A 1 ATOM 167 O O . TRP A 1 25 ? -7.225 12.138 -3.262 1.00 86.67 25 A 1 ATOM 168 C CB . TRP A 1 25 ? -4.989 10.708 -4.436 1.00 87.80 25 A 1 ATOM 169 C CG . TRP A 1 25 ? -4.431 10.080 -5.687 1.00 85.40 25 A 1 ATOM 170 C CD1 . TRP A 1 25 ? -3.139 10.100 -6.079 1.00 81.66 25 A 1 ATOM 171 C CD2 . TRP A 1 25 ? -5.166 9.349 -6.723 1.00 84.45 25 A 1 ATOM 172 N NE1 . TRP A 1 25 ? -3.017 9.432 -7.289 1.00 80.70 25 A 1 ATOM 173 C CE2 . TRP A 1 25 ? -4.233 8.950 -7.720 1.00 83.67 25 A 1 ATOM 174 C CE3 . TRP A 1 25 ? -6.520 8.987 -6.899 1.00 78.65 25 A 1 ATOM 175 C CZ2 . TRP A 1 25 ? -4.626 8.219 -8.860 1.00 79.77 25 A 1 ATOM 176 C CZ3 . TRP A 1 25 ? -6.912 8.256 -8.035 1.00 77.45 25 A 1 ATOM 177 C CH2 . TRP A 1 25 ? -5.977 7.878 -9.011 1.00 78.28 25 A 1 ATOM 178 N N . GLY A 1 26 ? -5.860 13.826 -2.743 1.00 88.46 26 A 1 ATOM 179 C CA . GLY A 1 26 ? -6.673 14.417 -1.680 1.00 85.21 26 A 1 ATOM 180 C C . GLY A 1 26 ? -7.032 15.862 -1.976 1.00 80.45 26 A 1 ATOM 181 O O . GLY A 1 26 ? -6.237 16.553 -2.641 1.00 75.44 26 A 1 ATOM 182 O OXT . GLY A 1 26 ? -8.118 16.315 -1.492 1.00 78.02 26 A 1 #