# 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_spkb07976 # _entry.id spkb07976 # 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" "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" "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 ARG 2 1 n ARG 3 1 n CYS 4 1 n ASN 5 1 n SER 6 1 n GLY 7 1 n SER 8 1 n GLY 9 1 n PRO 10 1 n PRO 11 1 n PRO 12 1 n SER 13 1 n LEU 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n LEU 19 1 n TRP 20 1 n LEU 21 1 n LEU 22 1 n ALA 23 1 n VAL 24 1 n PRO 25 1 n GLY 26 1 n ALA 27 1 n ASN 28 1 n ALA 29 # _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 @ 2025-07-07 07:14:42)" _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 83.44 _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 72.13 1 1 A ARG 2 2 66.79 1 2 A ARG 3 2 63.71 1 3 A CYS 4 2 66.86 1 4 A ASN 5 2 61.80 1 5 A SER 6 2 65.33 1 6 A GLY 7 2 73.97 1 7 A SER 8 2 75.35 1 8 A GLY 9 2 86.43 1 9 A PRO 10 2 89.19 1 10 A PRO 11 2 91.58 1 11 A PRO 12 2 92.72 1 12 A SER 13 2 94.21 1 13 A LEU 14 2 93.01 1 14 A LEU 15 2 92.23 1 15 A LEU 16 2 93.65 1 16 A LEU 17 2 92.02 1 17 A LEU 18 2 91.12 1 18 A LEU 19 2 92.58 1 19 A TRP 20 2 88.14 1 20 A LEU 21 2 92.12 1 21 A LEU 22 2 92.56 1 22 A ALA 23 2 95.83 1 23 A VAL 24 2 92.26 1 24 A PRO 25 2 91.11 1 25 A GLY 26 2 89.34 1 26 A ALA 27 2 85.10 1 27 A ASN 28 2 74.18 1 28 A ALA 29 2 74.17 1 29 # _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 ARG . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n CYS . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n GLY . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n PRO . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n PRO . 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 LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n TRP . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n PRO . 25 A 25 A 26 1 n GLY . 26 A 26 A 27 1 n ALA . 27 A 27 A 28 1 n ASN . 28 A 28 A 29 1 n ALA . 29 A 29 # _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 ? -28.456 -1.094 11.629 1.00 73.42 1 A 1 ATOM 2 C CA . MET A 1 1 ? -27.123 -0.482 11.824 1.00 79.36 1 A 1 ATOM 3 C C . MET A 1 1 ? -26.144 -1.149 10.862 1.00 81.22 1 A 1 ATOM 4 O O . MET A 1 1 ? -25.869 -2.331 11.020 1.00 73.65 1 A 1 ATOM 5 C CB . MET A 1 1 ? -26.655 -0.651 13.275 1.00 74.80 1 A 1 ATOM 6 C CG . MET A 1 1 ? -27.498 0.194 14.246 1.00 70.65 1 A 1 ATOM 7 S SD . MET A 1 1 ? -27.085 -0.136 15.982 1.00 67.32 1 A 1 ATOM 8 C CE . MET A 1 1 ? -28.166 1.039 16.816 1.00 56.61 1 A 1 ATOM 9 N N . ARG A 1 2 ? -25.687 -0.459 9.815 1.00 76.01 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -24.653 -0.983 8.903 1.00 77.34 2 A 1 ATOM 11 C C . ARG A 1 2 ? -23.307 -0.885 9.623 1.00 77.99 2 A 1 ATOM 12 O O . ARG A 1 2 ? -22.872 0.214 9.948 1.00 74.39 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -24.632 -0.208 7.567 1.00 73.88 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -25.772 -0.607 6.612 1.00 67.35 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -25.612 0.094 5.253 1.00 67.63 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -26.672 -0.299 4.295 1.00 59.65 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -26.707 -0.017 3.000 1.00 55.82 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -25.765 0.674 2.410 1.00 53.44 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -27.702 -0.427 2.258 1.00 51.15 2 A 1 ATOM 20 N N . ARG A 1 3 ? -22.669 -2.018 9.888 1.00 75.41 3 A 1 ATOM 21 C CA . ARG A 1 3 ? -21.269 -2.041 10.323 1.00 74.60 3 A 1 ATOM 22 C C . ARG A 1 3 ? -20.422 -1.595 9.134 1.00 74.13 3 A 1 ATOM 23 O O . ARG A 1 3 ? -20.216 -2.375 8.207 1.00 68.74 3 A 1 ATOM 24 C CB . ARG A 1 3 ? -20.856 -3.443 10.818 1.00 70.40 3 A 1 ATOM 25 C CG . ARG A 1 3 ? -21.470 -3.803 12.182 1.00 63.07 3 A 1 ATOM 26 C CD . ARG A 1 3 ? -20.927 -5.155 12.665 1.00 64.46 3 A 1 ATOM 27 N NE . ARG A 1 3 ? -21.531 -5.565 13.954 1.00 56.31 3 A 1 ATOM 28 C CZ . ARG A 1 3 ? -21.203 -6.633 14.673 1.00 53.51 3 A 1 ATOM 29 N NH1 . ARG A 1 3 ? -20.265 -7.461 14.298 1.00 51.13 3 A 1 ATOM 30 N NH2 . ARG A 1 3 ? -21.822 -6.893 15.795 1.00 49.00 3 A 1 ATOM 31 N N . CYS A 1 4 ? -19.969 -0.350 9.142 1.00 73.30 4 A 1 ATOM 32 C CA . CYS A 1 4 ? -18.878 0.067 8.274 1.00 70.91 4 A 1 ATOM 33 C C . CYS A 1 4 ? -17.651 -0.737 8.707 1.00 70.00 4 A 1 ATOM 34 O O . CYS A 1 4 ? -17.126 -0.530 9.801 1.00 62.82 4 A 1 ATOM 35 C CB . CYS A 1 4 ? -18.653 1.581 8.399 1.00 66.79 4 A 1 ATOM 36 S SG . CYS A 1 4 ? -20.118 2.482 7.798 1.00 57.35 4 A 1 ATOM 37 N N . ASN A 1 5 ? -17.246 -1.710 7.890 1.00 69.89 5 A 1 ATOM 38 C CA . ASN A 1 5 ? -15.981 -2.404 8.061 1.00 67.86 5 A 1 ATOM 39 C C . ASN A 1 5 ? -14.869 -1.431 7.656 1.00 66.96 5 A 1 ATOM 40 O O . ASN A 1 5 ? -14.363 -1.485 6.542 1.00 60.63 5 A 1 ATOM 41 C CB . ASN A 1 5 ? -16.007 -3.716 7.258 1.00 63.01 5 A 1 ATOM 42 C CG . ASN A 1 5 ? -14.838 -4.621 7.601 1.00 58.26 5 A 1 ATOM 43 O OD1 . ASN A 1 5 ? -14.083 -4.387 8.518 1.00 52.75 5 A 1 ATOM 44 N ND2 . ASN A 1 5 ? -14.683 -5.715 6.885 1.00 55.03 5 A 1 ATOM 45 N N . SER A 1 6 ? -14.576 -0.487 8.531 1.00 68.53 6 A 1 ATOM 46 C CA . SER A 1 6 ? -13.388 0.347 8.439 1.00 68.79 6 A 1 ATOM 47 C C . SER A 1 6 ? -12.199 -0.578 8.651 1.00 69.64 6 A 1 ATOM 48 O O . SER A 1 6 ? -11.777 -0.810 9.779 1.00 63.49 6 A 1 ATOM 49 C CB . SER A 1 6 ? -13.415 1.470 9.484 1.00 64.70 6 A 1 ATOM 50 O OG . SER A 1 6 ? -14.528 2.315 9.269 1.00 56.80 6 A 1 ATOM 51 N N . GLY A 1 7 ? -11.707 -1.171 7.563 1.00 73.36 7 A 1 ATOM 52 C CA . GLY A 1 7 ? -10.420 -1.840 7.559 1.00 73.64 7 A 1 ATOM 53 C C . GLY A 1 7 ? -9.380 -0.825 8.018 1.00 76.65 7 A 1 ATOM 54 O O . GLY A 1 7 ? -8.973 0.033 7.243 1.00 72.22 7 A 1 ATOM 55 N N . SER A 1 8 ? -9.020 -0.870 9.295 1.00 78.00 8 A 1 ATOM 56 C CA . SER A 1 8 ? -8.078 0.035 9.963 1.00 79.66 8 A 1 ATOM 57 C C . SER A 1 8 ? -6.629 -0.258 9.575 1.00 81.13 8 A 1 ATOM 58 O O . SER A 1 8 ? -5.700 0.088 10.288 1.00 74.72 8 A 1 ATOM 59 C CB . SER A 1 8 ? -8.304 -0.028 11.478 1.00 74.35 8 A 1 ATOM 60 O OG . SER A 1 8 ? -8.418 -1.368 11.915 1.00 64.22 8 A 1 ATOM 61 N N . GLY A 1 9 ? -6.429 -0.924 8.436 1.00 82.80 9 A 1 ATOM 62 C CA . GLY A 1 9 ? -5.117 -1.092 7.828 1.00 85.77 9 A 1 ATOM 63 C C . GLY A 1 9 ? -4.689 0.170 7.077 1.00 89.63 9 A 1 ATOM 64 O O . GLY A 1 9 ? -5.542 0.965 6.674 1.00 87.52 9 A 1 ATOM 65 N N . PRO A 1 10 ? -3.394 0.363 6.864 1.00 89.77 10 A 1 ATOM 66 C CA . PRO A 1 10 ? -2.908 1.422 5.989 1.00 91.17 10 A 1 ATOM 67 C C . PRO A 1 10 ? -3.559 1.296 4.605 1.00 93.73 10 A 1 ATOM 68 O O . PRO A 1 10 ? -3.833 0.180 4.150 1.00 91.66 10 A 1 ATOM 69 C CB . PRO A 1 10 ? -1.385 1.257 5.945 1.00 87.81 10 A 1 ATOM 70 C CG . PRO A 1 10 ? -1.161 -0.211 6.301 1.00 83.20 10 A 1 ATOM 71 C CD . PRO A 1 10 ? -2.314 -0.524 7.251 1.00 86.97 10 A 1 ATOM 72 N N . PRO A 1 11 ? -3.837 2.416 3.930 1.00 92.65 11 A 1 ATOM 73 C CA . PRO A 1 11 ? -4.448 2.388 2.610 1.00 94.07 11 A 1 ATOM 74 C C . PRO A 1 11 ? -3.593 1.552 1.645 1.00 95.46 11 A 1 ATOM 75 O O . PRO A 1 11 ? -2.360 1.556 1.750 1.00 93.48 11 A 1 ATOM 76 C CB . PRO A 1 11 ? -4.591 3.857 2.186 1.00 90.84 11 A 1 ATOM 77 C CG . PRO A 1 11 ? -3.546 4.579 3.023 1.00 85.30 11 A 1 ATOM 78 C CD . PRO A 1 11 ? -3.494 3.770 4.311 1.00 89.24 11 A 1 ATOM 79 N N . PRO A 1 12 ? -4.212 0.843 0.680 1.00 93.88 12 A 1 ATOM 80 C CA . PRO A 1 12 ? -3.501 -0.082 -0.207 1.00 94.84 12 A 1 ATOM 81 C C . PRO A 1 12 ? -2.367 0.587 -0.992 1.00 96.09 12 A 1 ATOM 82 O O . PRO A 1 12 ? -1.371 -0.061 -1.292 1.00 94.05 12 A 1 ATOM 83 C CB . PRO A 1 12 ? -4.586 -0.663 -1.128 1.00 91.99 12 A 1 ATOM 84 C CG . PRO A 1 12 ? -5.725 0.350 -1.055 1.00 86.94 12 A 1 ATOM 85 C CD . PRO A 1 12 ? -5.622 0.879 0.371 1.00 91.25 12 A 1 ATOM 86 N N . SER A 1 13 ? -2.469 1.888 -1.258 1.00 95.89 13 A 1 ATOM 87 C CA . SER A 1 13 ? -1.398 2.673 -1.877 1.00 96.54 13 A 1 ATOM 88 C C . SER A 1 13 ? -0.122 2.721 -1.030 1.00 97.02 13 A 1 ATOM 89 O O . SER A 1 13 ? 0.972 2.593 -1.576 1.00 95.89 13 A 1 ATOM 90 C CB . SER A 1 13 ? -1.894 4.097 -2.141 1.00 95.41 13 A 1 ATOM 91 O OG . SER A 1 13 ? -2.426 4.669 -0.958 1.00 84.52 13 A 1 ATOM 92 N N . LEU A 1 14 ? -0.240 2.851 0.301 1.00 96.71 14 A 1 ATOM 93 C CA . LEU A 1 14 ? 0.913 2.834 1.201 1.00 96.56 14 A 1 ATOM 94 C C . LEU A 1 14 ? 1.532 1.441 1.299 1.00 96.94 14 A 1 ATOM 95 O O . LEU A 1 14 ? 2.753 1.327 1.329 1.00 96.70 14 A 1 ATOM 96 C CB . LEU A 1 14 ? 0.525 3.334 2.598 1.00 96.03 14 A 1 ATOM 97 C CG . LEU A 1 14 ? 0.235 4.840 2.700 1.00 89.64 14 A 1 ATOM 98 C CD1 . LEU A 1 14 ? -0.075 5.193 4.151 1.00 85.60 14 A 1 ATOM 99 C CD2 . LEU A 1 14 ? 1.412 5.700 2.245 1.00 85.88 14 A 1 ATOM 100 N N . LEU A 1 15 ? 0.725 0.383 1.293 1.00 96.08 15 A 1 ATOM 101 C CA . LEU A 1 15 ? 1.233 -0.989 1.276 1.00 95.78 15 A 1 ATOM 102 C C . LEU A 1 15 ? 2.030 -1.279 0.004 1.00 96.24 15 A 1 ATOM 103 O O . LEU A 1 15 ? 3.111 -1.861 0.083 1.00 96.46 15 A 1 ATOM 104 C CB . LEU A 1 15 ? 0.073 -1.981 1.416 1.00 95.36 15 A 1 ATOM 105 C CG . LEU A 1 15 ? -0.591 -1.993 2.800 1.00 87.82 15 A 1 ATOM 106 C CD1 . LEU A 1 15 ? -1.796 -2.927 2.772 1.00 84.78 15 A 1 ATOM 107 C CD2 . LEU A 1 15 ? 0.377 -2.474 3.886 1.00 85.33 15 A 1 ATOM 108 N N . LEU A 1 16 ? 1.539 -0.841 -1.150 1.00 96.28 16 A 1 ATOM 109 C CA . LEU A 1 16 ? 2.249 -0.987 -2.420 1.00 95.98 16 A 1 ATOM 110 C C . LEU A 1 16 ? 3.552 -0.182 -2.444 1.00 96.20 16 A 1 ATOM 111 O O . LEU A 1 16 ? 4.569 -0.696 -2.904 1.00 96.23 16 A 1 ATOM 112 C CB . LEU A 1 16 ? 1.331 -0.555 -3.574 1.00 95.73 16 A 1 ATOM 113 C CG . LEU A 1 16 ? 0.180 -1.536 -3.860 1.00 90.56 16 A 1 ATOM 114 C CD1 . LEU A 1 16 ? -0.764 -0.916 -4.891 1.00 88.91 16 A 1 ATOM 115 C CD2 . LEU A 1 16 ? 0.686 -2.873 -4.400 1.00 89.34 16 A 1 ATOM 116 N N . LEU A 1 17 ? 3.549 1.035 -1.898 1.00 95.05 17 A 1 ATOM 117 C CA . LEU A 1 17 ? 4.754 1.857 -1.786 1.00 94.34 17 A 1 ATOM 118 C C . LEU A 1 17 ? 5.811 1.188 -0.900 1.00 94.83 17 A 1 ATOM 119 O O . LEU A 1 17 ? 6.972 1.096 -1.291 1.00 94.74 17 A 1 ATOM 120 C CB . LEU A 1 17 ? 4.367 3.246 -1.255 1.00 93.98 17 A 1 ATOM 121 C CG . LEU A 1 17 ? 5.560 4.205 -1.090 1.00 89.21 17 A 1 ATOM 122 C CD1 . LEU A 1 17 ? 6.239 4.515 -2.425 1.00 86.86 17 A 1 ATOM 123 C CD2 . LEU A 1 17 ? 5.080 5.508 -0.463 1.00 87.12 17 A 1 ATOM 124 N N . LEU A 1 18 ? 5.418 0.681 0.270 1.00 94.14 18 A 1 ATOM 125 C CA . LEU A 1 18 ? 6.327 -0.023 1.174 1.00 93.64 18 A 1 ATOM 126 C C . LEU A 1 18 ? 6.892 -1.290 0.531 1.00 94.15 18 A 1 ATOM 127 O O . LEU A 1 18 ? 8.095 -1.539 0.625 1.00 94.14 18 A 1 ATOM 128 C CB . LEU A 1 18 ? 5.586 -0.371 2.477 1.00 93.32 18 A 1 ATOM 129 C CG . LEU A 1 18 ? 5.300 0.838 3.385 1.00 88.05 18 A 1 ATOM 130 C CD1 . LEU A 1 18 ? 4.384 0.400 4.530 1.00 85.41 18 A 1 ATOM 131 C CD2 . LEU A 1 18 ? 6.578 1.427 3.980 1.00 86.13 18 A 1 ATOM 132 N N . LEU A 1 19 ? 6.055 -2.062 -0.164 1.00 94.54 19 A 1 ATOM 133 C CA . LEU A 1 19 ? 6.492 -3.248 -0.893 1.00 94.21 19 A 1 ATOM 134 C C . LEU A 1 19 ? 7.503 -2.894 -1.987 1.00 94.61 19 A 1 ATOM 135 O O . LEU A 1 19 ? 8.513 -3.578 -2.134 1.00 94.38 19 A 1 ATOM 136 C CB . LEU A 1 19 ? 5.257 -3.955 -1.472 1.00 93.99 19 A 1 ATOM 137 C CG . LEU A 1 19 ? 5.583 -5.270 -2.195 1.00 90.67 19 A 1 ATOM 138 C CD1 . LEU A 1 19 ? 6.153 -6.324 -1.239 1.00 89.02 19 A 1 ATOM 139 C CD2 . LEU A 1 19 ? 4.312 -5.825 -2.834 1.00 89.20 19 A 1 ATOM 140 N N . TRP A 1 20 ? 7.260 -1.809 -2.725 1.00 94.34 20 A 1 ATOM 141 C CA . TRP A 1 20 ? 8.167 -1.337 -3.769 1.00 94.19 20 A 1 ATOM 142 C C . TRP A 1 20 ? 9.520 -0.902 -3.192 1.00 94.74 20 A 1 ATOM 143 O O . TRP A 1 20 ? 10.560 -1.324 -3.691 1.00 94.16 20 A 1 ATOM 144 C CB . TRP A 1 20 ? 7.487 -0.212 -4.553 1.00 93.84 20 A 1 ATOM 145 C CG . TRP A 1 20 ? 8.273 0.240 -5.738 1.00 90.67 20 A 1 ATOM 146 C CD1 . TRP A 1 20 ? 8.243 -0.339 -6.963 1.00 83.68 20 A 1 ATOM 147 C CD2 . TRP A 1 20 ? 9.242 1.325 -5.825 1.00 86.83 20 A 1 ATOM 148 N NE1 . TRP A 1 20 ? 9.131 0.314 -7.805 1.00 83.61 20 A 1 ATOM 149 C CE2 . TRP A 1 20 ? 9.767 1.347 -7.153 1.00 86.09 20 A 1 ATOM 150 C CE3 . TRP A 1 20 ? 9.730 2.289 -4.917 1.00 83.98 20 A 1 ATOM 151 C CZ2 . TRP A 1 20 ? 10.736 2.289 -7.561 1.00 85.48 20 A 1 ATOM 152 C CZ3 . TRP A 1 20 ? 10.695 3.235 -5.322 1.00 80.35 20 A 1 ATOM 153 C CH2 . TRP A 1 20 ? 11.193 3.229 -6.636 1.00 81.95 20 A 1 ATOM 154 N N . LEU A 1 21 ? 9.520 -0.150 -2.091 1.00 94.56 21 A 1 ATOM 155 C CA . LEU A 1 21 ? 10.750 0.274 -1.408 1.00 93.91 21 A 1 ATOM 156 C C . LEU A 1 21 ? 11.567 -0.917 -0.884 1.00 94.13 21 A 1 ATOM 157 O O . LEU A 1 21 ? 12.797 -0.886 -0.930 1.00 93.36 21 A 1 ATOM 158 C CB . LEU A 1 21 ? 10.388 1.212 -0.243 1.00 93.40 21 A 1 ATOM 159 C CG . LEU A 1 21 ? 9.883 2.604 -0.672 1.00 91.40 21 A 1 ATOM 160 C CD1 . LEU A 1 21 ? 9.350 3.352 0.553 1.00 87.86 21 A 1 ATOM 161 C CD2 . LEU A 1 21 ? 10.989 3.445 -1.307 1.00 88.35 21 A 1 ATOM 162 N N . LEU A 1 22 ? 10.901 -1.982 -0.417 1.00 95.00 22 A 1 ATOM 163 C CA . LEU A 1 22 ? 11.569 -3.213 0.016 1.00 94.50 22 A 1 ATOM 164 C C . LEU A 1 22 ? 12.103 -4.032 -1.165 1.00 94.70 22 A 1 ATOM 165 O O . LEU A 1 22 ? 13.145 -4.677 -1.040 1.00 93.23 22 A 1 ATOM 166 C CB . LEU A 1 22 ? 10.582 -4.052 0.847 1.00 93.84 22 A 1 ATOM 167 C CG . LEU A 1 22 ? 10.251 -3.462 2.234 1.00 92.28 22 A 1 ATOM 168 C CD1 . LEU A 1 22 ? 9.095 -4.253 2.851 1.00 88.49 22 A 1 ATOM 169 C CD2 . LEU A 1 22 ? 11.441 -3.518 3.185 1.00 88.47 22 A 1 ATOM 170 N N . ALA A 1 23 ? 11.403 -4.022 -2.305 1.00 96.74 23 A 1 ATOM 171 C CA . ALA A 1 23 ? 11.790 -4.774 -3.500 1.00 96.44 23 A 1 ATOM 172 C C . ALA A 1 23 ? 12.923 -4.104 -4.293 1.00 96.22 23 A 1 ATOM 173 O O . ALA A 1 23 ? 13.640 -4.790 -5.022 1.00 94.19 23 A 1 ATOM 174 C CB . ALA A 1 23 ? 10.542 -4.968 -4.369 1.00 95.58 23 A 1 ATOM 175 N N . VAL A 1 24 ? 13.098 -2.790 -4.161 1.00 96.10 24 A 1 ATOM 176 C CA . VAL A 1 24 ? 14.139 -2.017 -4.853 1.00 95.12 24 A 1 ATOM 177 C C . VAL A 1 24 ? 15.095 -1.387 -3.832 1.00 94.46 24 A 1 ATOM 178 O O . VAL A 1 24 ? 15.051 -0.180 -3.586 1.00 91.68 24 A 1 ATOM 179 C CB . VAL A 1 24 ? 13.524 -0.986 -5.821 1.00 93.39 24 A 1 ATOM 180 C CG1 . VAL A 1 24 ? 14.611 -0.376 -6.709 1.00 87.33 24 A 1 ATOM 181 C CG2 . VAL A 1 24 ? 12.484 -1.626 -6.746 1.00 87.75 24 A 1 ATOM 182 N N . PRO A 1 25 ? 15.971 -2.198 -3.195 1.00 94.26 25 A 1 ATOM 183 C CA . PRO A 1 25 ? 16.979 -1.662 -2.294 1.00 93.10 25 A 1 ATOM 184 C C . PRO A 1 25 ? 17.939 -0.776 -3.101 1.00 92.23 25 A 1 ATOM 185 O O . PRO A 1 25 ? 18.667 -1.257 -3.971 1.00 87.09 25 A 1 ATOM 186 C CB . PRO A 1 25 ? 17.654 -2.895 -1.670 1.00 90.65 25 A 1 ATOM 187 C CG . PRO A 1 25 ? 17.481 -3.992 -2.717 1.00 88.26 25 A 1 ATOM 188 C CD . PRO A 1 25 ? 16.144 -3.635 -3.374 1.00 92.18 25 A 1 ATOM 189 N N . GLY A 1 26 ? 17.904 0.524 -2.826 1.00 92.24 26 A 1 ATOM 190 C CA . GLY A 1 26 ? 18.720 1.530 -3.521 1.00 90.50 26 A 1 ATOM 191 C C . GLY A 1 26 ? 17.937 2.560 -4.331 1.00 89.53 26 A 1 ATOM 192 O O . GLY A 1 26 ? 18.544 3.509 -4.824 1.00 85.10 26 A 1 ATOM 193 N N . ALA A 1 27 ? 16.601 2.461 -4.406 1.00 87.95 27 A 1 ATOM 194 C CA . ALA A 1 27 ? 15.789 3.482 -5.086 1.00 86.39 27 A 1 ATOM 195 C C . ALA A 1 27 ? 15.852 4.882 -4.438 1.00 85.37 27 A 1 ATOM 196 O O . ALA A 1 27 ? 15.419 5.857 -5.048 1.00 81.67 27 A 1 ATOM 197 C CB . ALA A 1 27 ? 14.344 2.988 -5.162 1.00 84.13 27 A 1 ATOM 198 N N . ASN A 1 28 ? 16.369 4.979 -3.204 1.00 82.58 28 A 1 ATOM 199 C CA . ASN A 1 28 ? 16.532 6.228 -2.448 1.00 79.87 28 A 1 ATOM 200 C C . ASN A 1 28 ? 18.012 6.627 -2.255 1.00 78.40 28 A 1 ATOM 201 O O . ASN A 1 28 ? 18.308 7.439 -1.382 1.00 75.05 28 A 1 ATOM 202 C CB . ASN A 1 28 ? 15.806 6.093 -1.099 1.00 76.47 28 A 1 ATOM 203 C CG . ASN A 1 28 ? 14.317 5.848 -1.219 1.00 70.37 28 A 1 ATOM 204 O OD1 . ASN A 1 28 ? 13.600 6.434 -2.009 1.00 65.36 28 A 1 ATOM 205 N ND2 . ASN A 1 28 ? 13.787 4.975 -0.386 1.00 65.33 28 A 1 ATOM 206 N N . ALA A 1 29 ? 18.926 6.012 -2.998 1.00 83.52 29 A 1 ATOM 207 C CA . ALA A 1 29 ? 20.348 6.360 -2.983 1.00 79.94 29 A 1 ATOM 208 C C . ALA A 1 29 ? 20.688 7.366 -4.085 1.00 74.11 29 A 1 ATOM 209 O O . ALA A 1 29 ? 20.082 7.287 -5.168 1.00 68.10 29 A 1 ATOM 210 C CB . ALA A 1 29 ? 21.190 5.090 -3.074 1.00 74.08 29 A 1 ATOM 211 O OXT . ALA A 1 29 ? 21.589 8.203 -3.843 1.00 65.30 29 A 1 #