# 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_spkb15681 # _entry.id spkb15681 # 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" "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 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" "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 ALA 2 1 n ALA 3 1 n ARG 4 1 n ASN 5 1 n SER 6 1 n LEU 7 1 n THR 8 1 n PRO 9 1 n GLN 10 1 n GLN 11 1 n GLY 12 1 n LEU 13 1 n GLY 14 1 n PHE 15 1 n PHE 16 1 n GLY 17 1 n LEU 18 1 n LEU 19 1 n ILE 20 1 n LEU 21 1 n LEU 22 1 n CYS 23 1 n SER 24 1 n ALA 25 1 n VAL 26 1 n LEU 27 1 n GLY 28 # _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 @ 2025-07-10 13:46:57)" _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 87.04 _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 69.12 1 1 A ALA 2 2 75.36 1 2 A ALA 3 2 73.41 1 3 A ARG 4 2 69.15 1 4 A ASN 5 2 65.61 1 5 A SER 6 2 72.73 1 6 A LEU 7 2 75.51 1 7 A THR 8 2 84.27 1 8 A PRO 9 2 88.21 1 9 A GLN 10 2 83.18 1 10 A GLN 11 2 84.55 1 11 A GLY 12 2 94.10 1 12 A LEU 13 2 91.59 1 13 A GLY 14 2 95.62 1 14 A PHE 15 2 92.08 1 15 A PHE 16 2 92.18 1 16 A GLY 17 2 97.01 1 17 A LEU 18 2 94.29 1 18 A LEU 19 2 94.69 1 19 A ILE 20 2 96.56 1 20 A LEU 21 2 95.03 1 21 A LEU 22 2 95.14 1 22 A CYS 23 2 97.52 1 23 A SER 24 2 96.75 1 24 A ALA 25 2 98.38 1 25 A VAL 26 2 97.11 1 26 A LEU 27 2 93.73 1 27 A GLY 28 2 88.46 1 28 # _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 ALA . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n GLN . 10 A 10 A 11 1 n GLN . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n CYS . 23 A 23 A 24 1 n SER . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n VAL . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n GLY . 28 A 28 # _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 ? 12.990 -21.789 3.537 1.00 68.35 1 A 1 ATOM 2 C CA . MET A 1 1 ? 12.247 -20.916 4.470 1.00 77.05 1 A 1 ATOM 3 C C . MET A 1 1 ? 12.350 -19.478 3.985 1.00 79.33 1 A 1 ATOM 4 O O . MET A 1 1 ? 13.368 -18.841 4.205 1.00 72.94 1 A 1 ATOM 5 C CB . MET A 1 1 ? 12.826 -21.035 5.893 1.00 70.92 1 A 1 ATOM 6 C CG . MET A 1 1 ? 12.395 -22.319 6.601 1.00 67.16 1 A 1 ATOM 7 S SD . MET A 1 1 ? 13.236 -22.515 8.192 1.00 63.60 1 A 1 ATOM 8 C CE . MET A 1 1 ? 12.289 -23.866 8.914 1.00 53.59 1 A 1 ATOM 9 N N . ALA A 1 2 ? 11.347 -18.982 3.273 1.00 73.99 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 11.216 -17.571 2.921 1.00 77.76 2 A 1 ATOM 11 C C . ALA A 1 2 ? 9.745 -17.192 3.123 1.00 78.71 2 A 1 ATOM 12 O O . ALA A 1 2 ? 8.953 -17.220 2.189 1.00 74.24 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 11.723 -17.331 1.493 1.00 72.08 2 A 1 ATOM 14 N N . ALA A 1 3 ? 9.397 -16.881 4.369 1.00 73.69 3 A 1 ATOM 15 C CA . ALA A 1 3 ? 8.126 -16.252 4.724 1.00 74.92 3 A 1 ATOM 16 C C . ALA A 1 3 ? 8.149 -14.803 4.219 1.00 75.81 3 A 1 ATOM 17 O O . ALA A 1 3 ? 8.245 -13.850 4.982 1.00 72.02 3 A 1 ATOM 18 C CB . ALA A 1 3 ? 7.923 -16.369 6.238 1.00 70.60 3 A 1 ATOM 19 N N . ARG A 1 4 ? 8.191 -14.637 2.893 1.00 79.84 4 A 1 ATOM 20 C CA . ARG A 1 4 ? 8.187 -13.329 2.251 1.00 80.20 4 A 1 ATOM 21 C C . ARG A 1 4 ? 6.744 -12.848 2.167 1.00 81.35 4 A 1 ATOM 22 O O . ARG A 1 4 ? 6.007 -13.304 1.308 1.00 75.58 4 A 1 ATOM 23 C CB . ARG A 1 4 ? 8.918 -13.405 0.898 1.00 76.19 4 A 1 ATOM 24 C CG . ARG A 1 4 ? 9.097 -12.016 0.280 1.00 69.14 4 A 1 ATOM 25 C CD . ARG A 1 4 ? 9.829 -12.066 -1.068 1.00 68.43 4 A 1 ATOM 26 N NE . ARG A 1 4 ? 11.301 -12.105 -0.915 1.00 62.25 4 A 1 ATOM 27 C CZ . ARG A 1 4 ? 12.182 -11.831 -1.880 1.00 58.97 4 A 1 ATOM 28 N NH1 . ARG A 1 4 ? 11.801 -11.531 -3.093 1.00 54.80 4 A 1 ATOM 29 N NH2 . ARG A 1 4 ? 13.461 -11.842 -1.634 1.00 53.94 4 A 1 ATOM 30 N N . ASN A 1 5 ? 6.406 -11.924 3.078 1.00 72.35 5 A 1 ATOM 31 C CA . ASN A 1 5 ? 5.265 -11.017 3.021 1.00 71.16 5 A 1 ATOM 32 C C . ASN A 1 5 ? 3.941 -11.642 2.559 1.00 71.82 5 A 1 ATOM 33 O O . ASN A 1 5 ? 3.479 -11.386 1.444 1.00 66.64 5 A 1 ATOM 34 C CB . ASN A 1 5 ? 5.645 -9.782 2.188 1.00 66.15 5 A 1 ATOM 35 C CG . ASN A 1 5 ? 6.596 -8.848 2.906 1.00 61.36 5 A 1 ATOM 36 O OD1 . ASN A 1 5 ? 7.016 -9.062 4.020 1.00 56.85 5 A 1 ATOM 37 N ND2 . ASN A 1 5 ? 6.954 -7.756 2.260 1.00 58.54 5 A 1 ATOM 38 N N . SER A 1 6 ? 3.262 -12.357 3.451 1.00 76.50 6 A 1 ATOM 39 C CA . SER A 1 6 ? 1.815 -12.548 3.380 1.00 75.86 6 A 1 ATOM 40 C C . SER A 1 6 ? 1.119 -11.225 3.733 1.00 78.36 6 A 1 ATOM 41 O O . SER A 1 6 ? 0.431 -11.120 4.740 1.00 73.31 6 A 1 ATOM 42 C CB . SER A 1 6 ? 1.365 -13.684 4.308 1.00 70.97 6 A 1 ATOM 43 O OG . SER A 1 6 ? 2.097 -14.862 4.045 1.00 61.35 6 A 1 ATOM 44 N N . LEU A 1 7 ? 1.353 -10.170 2.939 1.00 81.98 7 A 1 ATOM 45 C CA . LEU A 1 7 ? 0.498 -8.993 2.942 1.00 80.65 7 A 1 ATOM 46 C C . LEU A 1 7 ? -0.861 -9.475 2.463 1.00 84.94 7 A 1 ATOM 47 O O . LEU A 1 7 ? -1.036 -9.799 1.287 1.00 81.32 7 A 1 ATOM 48 C CB . LEU A 1 7 ? 1.077 -7.892 2.046 1.00 76.17 7 A 1 ATOM 49 C CG . LEU A 1 7 ? 2.227 -7.121 2.702 1.00 68.72 7 A 1 ATOM 50 C CD1 . LEU A 1 7 ? 2.999 -6.331 1.648 1.00 65.79 7 A 1 ATOM 51 C CD2 . LEU A 1 7 ? 1.717 -6.132 3.751 1.00 64.54 7 A 1 ATOM 52 N N . THR A 1 8 ? -1.795 -9.607 3.393 1.00 87.20 8 A 1 ATOM 53 C CA . THR A 1 8 ? -3.156 -10.003 3.070 1.00 88.76 8 A 1 ATOM 54 C C . THR A 1 8 ? -3.710 -9.004 2.045 1.00 90.73 8 A 1 ATOM 55 O O . THR A 1 8 ? -3.417 -7.806 2.138 1.00 88.92 8 A 1 ATOM 56 C CB . THR A 1 8 ? -4.035 -10.060 4.327 1.00 85.54 8 A 1 ATOM 57 O OG1 . THR A 1 8 ? -3.929 -8.876 5.068 1.00 76.06 8 A 1 ATOM 58 C CG2 . THR A 1 8 ? -3.642 -11.218 5.239 1.00 72.70 8 A 1 ATOM 59 N N . PRO A 1 9 ? -4.498 -9.451 1.050 1.00 89.15 9 A 1 ATOM 60 C CA . PRO A 1 9 ? -5.078 -8.558 0.040 1.00 90.71 9 A 1 ATOM 61 C C . PRO A 1 9 ? -5.866 -7.392 0.660 1.00 92.66 9 A 1 ATOM 62 O O . PRO A 1 9 ? -5.968 -6.320 0.069 1.00 89.61 9 A 1 ATOM 63 C CB . PRO A 1 9 ? -5.955 -9.467 -0.832 1.00 87.20 9 A 1 ATOM 64 C CG . PRO A 1 9 ? -6.167 -10.730 0.002 1.00 83.25 9 A 1 ATOM 65 C CD . PRO A 1 9 ? -4.909 -10.819 0.846 1.00 84.90 9 A 1 ATOM 66 N N . GLN A 1 10 ? -6.319 -7.553 1.900 1.00 91.22 10 A 1 ATOM 67 C CA . GLN A 1 10 ? -6.971 -6.516 2.701 1.00 91.87 10 A 1 ATOM 68 C C . GLN A 1 10 ? -6.027 -5.357 3.079 1.00 92.86 10 A 1 ATOM 69 O O . GLN A 1 10 ? -6.457 -4.202 3.107 1.00 90.86 10 A 1 ATOM 70 C CB . GLN A 1 10 ? -7.551 -7.210 3.932 1.00 90.51 10 A 1 ATOM 71 C CG . GLN A 1 10 ? -8.591 -6.367 4.648 1.00 81.52 10 A 1 ATOM 72 C CD . GLN A 1 10 ? -9.300 -7.149 5.752 1.00 74.70 10 A 1 ATOM 73 O OE1 . GLN A 1 10 ? -9.286 -8.368 5.803 1.00 69.62 10 A 1 ATOM 74 N NE2 . GLN A 1 10 ? -9.950 -6.477 6.673 1.00 65.47 10 A 1 ATOM 75 N N . GLN A 1 11 ? -4.736 -5.610 3.317 1.00 92.21 11 A 1 ATOM 76 C CA . GLN A 1 11 ? -3.743 -4.550 3.537 1.00 92.69 11 A 1 ATOM 77 C C . GLN A 1 11 ? -3.450 -3.780 2.245 1.00 93.86 11 A 1 ATOM 78 O O . GLN A 1 11 ? -3.222 -2.574 2.301 1.00 91.89 11 A 1 ATOM 79 C CB . GLN A 1 11 ? -2.449 -5.125 4.112 1.00 91.49 11 A 1 ATOM 80 C CG . GLN A 1 11 ? -2.578 -5.453 5.596 1.00 84.26 11 A 1 ATOM 81 C CD . GLN A 1 11 ? -1.260 -5.961 6.171 1.00 76.39 11 A 1 ATOM 82 O OE1 . GLN A 1 11 ? -0.781 -7.028 5.842 1.00 70.34 11 A 1 ATOM 83 N NE2 . GLN A 1 11 ? -0.618 -5.214 7.035 1.00 67.84 11 A 1 ATOM 84 N N . GLY A 1 12 ? -3.506 -4.433 1.089 1.00 92.87 12 A 1 ATOM 85 C CA . GLY A 1 12 ? -3.380 -3.774 -0.211 1.00 93.70 12 A 1 ATOM 86 C C . GLY A 1 12 ? -4.507 -2.773 -0.471 1.00 95.32 12 A 1 ATOM 87 O O . GLY A 1 12 ? -4.240 -1.651 -0.894 1.00 94.51 12 A 1 ATOM 88 N N . LEU A 1 13 ? -5.749 -3.123 -0.146 1.00 94.80 13 A 1 ATOM 89 C CA . LEU A 1 13 ? -6.903 -2.220 -0.257 1.00 95.41 13 A 1 ATOM 90 C C . LEU A 1 13 ? -6.798 -1.022 0.692 1.00 96.25 13 A 1 ATOM 91 O O . LEU A 1 13 ? -7.063 0.105 0.281 1.00 95.67 13 A 1 ATOM 92 C CB . LEU A 1 13 ? -8.190 -3.013 0.021 1.00 94.70 13 A 1 ATOM 93 C CG . LEU A 1 13 ? -8.647 -3.864 -1.169 1.00 89.36 13 A 1 ATOM 94 C CD1 . LEU A 1 13 ? -9.665 -4.902 -0.707 1.00 84.54 13 A 1 ATOM 95 C CD2 . LEU A 1 13 ? -9.298 -2.999 -2.244 1.00 82.02 13 A 1 ATOM 96 N N . GLY A 1 14 ? -6.365 -1.241 1.942 1.00 94.78 14 A 1 ATOM 97 C CA . GLY A 1 14 ? -6.152 -0.157 2.902 1.00 95.33 14 A 1 ATOM 98 C C . GLY A 1 14 ? -5.046 0.803 2.467 1.00 96.56 14 A 1 ATOM 99 O O . GLY A 1 14 ? -5.215 2.020 2.538 1.00 95.82 14 A 1 ATOM 100 N N . PHE A 1 15 ? -3.932 0.268 1.955 1.00 95.36 15 A 1 ATOM 101 C CA . PHE A 1 15 ? -2.827 1.065 1.424 1.00 95.76 15 A 1 ATOM 102 C C . PHE A 1 15 ? -3.248 1.867 0.188 1.00 96.88 15 A 1 ATOM 103 O O . PHE A 1 15 ? -2.934 3.051 0.091 1.00 96.92 15 A 1 ATOM 104 C CB . PHE A 1 15 ? -1.654 0.137 1.103 1.00 94.85 15 A 1 ATOM 105 C CG . PHE A 1 15 ? -0.451 0.874 0.568 1.00 92.26 15 A 1 ATOM 106 C CD1 . PHE A 1 15 ? -0.201 0.914 -0.812 1.00 89.11 15 A 1 ATOM 107 C CD2 . PHE A 1 15 ? 0.398 1.553 1.453 1.00 88.86 15 A 1 ATOM 108 C CE1 . PHE A 1 15 ? 0.894 1.632 -1.310 1.00 87.96 15 A 1 ATOM 109 C CE2 . PHE A 1 15 ? 1.492 2.276 0.958 1.00 87.35 15 A 1 ATOM 110 C CZ . PHE A 1 15 ? 1.738 2.315 -0.423 1.00 87.54 15 A 1 ATOM 111 N N . PHE A 1 16 ? -3.994 1.254 -0.736 1.00 96.22 16 A 1 ATOM 112 C CA . PHE A 1 16 ? -4.483 1.934 -1.937 1.00 96.15 16 A 1 ATOM 113 C C . PHE A 1 16 ? -5.466 3.060 -1.592 1.00 97.00 16 A 1 ATOM 114 O O . PHE A 1 16 ? -5.360 4.154 -2.138 1.00 96.87 16 A 1 ATOM 115 C CB . PHE A 1 16 ? -5.107 0.895 -2.870 1.00 95.27 16 A 1 ATOM 116 C CG . PHE A 1 16 ? -5.247 1.377 -4.291 1.00 92.07 16 A 1 ATOM 117 C CD1 . PHE A 1 16 ? -6.493 1.791 -4.786 1.00 88.60 16 A 1 ATOM 118 C CD2 . PHE A 1 16 ? -4.120 1.411 -5.124 1.00 88.73 16 A 1 ATOM 119 C CE1 . PHE A 1 16 ? -6.617 2.234 -6.110 1.00 87.53 16 A 1 ATOM 120 C CE2 . PHE A 1 16 ? -4.237 1.860 -6.447 1.00 87.46 16 A 1 ATOM 121 C CZ . PHE A 1 16 ? -5.485 2.271 -6.939 1.00 88.07 16 A 1 ATOM 122 N N . GLY A 1 17 ? -6.358 2.844 -0.631 1.00 96.57 17 A 1 ATOM 123 C CA . GLY A 1 17 ? -7.257 3.880 -0.119 1.00 96.80 17 A 1 ATOM 124 C C . GLY A 1 17 ? -6.510 5.053 0.518 1.00 97.48 17 A 1 ATOM 125 O O . GLY A 1 17 ? -6.818 6.206 0.224 1.00 97.18 17 A 1 ATOM 126 N N . LEU A 1 18 ? -5.478 4.775 1.327 1.00 97.25 18 A 1 ATOM 127 C CA . LEU A 1 18 ? -4.607 5.804 1.904 1.00 97.29 18 A 1 ATOM 128 C C . LEU A 1 18 ? -3.848 6.591 0.834 1.00 97.72 18 A 1 ATOM 129 O O . LEU A 1 18 ? -3.723 7.807 0.947 1.00 97.52 18 A 1 ATOM 130 C CB . LEU A 1 18 ? -3.616 5.135 2.870 1.00 96.81 18 A 1 ATOM 131 C CG . LEU A 1 18 ? -4.087 5.181 4.329 1.00 90.67 18 A 1 ATOM 132 C CD1 . LEU A 1 18 ? -3.381 4.108 5.148 1.00 88.52 18 A 1 ATOM 133 C CD2 . LEU A 1 18 ? -3.784 6.543 4.947 1.00 88.53 18 A 1 ATOM 134 N N . LEU A 1 19 ? -3.376 5.914 -0.212 1.00 97.55 19 A 1 ATOM 135 C CA . LEU A 1 19 ? -2.651 6.543 -1.312 1.00 97.49 19 A 1 ATOM 136 C C . LEU A 1 19 ? -3.551 7.496 -2.106 1.00 97.85 19 A 1 ATOM 137 O O . LEU A 1 19 ? -3.142 8.615 -2.403 1.00 97.87 19 A 1 ATOM 138 C CB . LEU A 1 19 ? -2.039 5.431 -2.177 1.00 96.93 19 A 1 ATOM 139 C CG . LEU A 1 19 ? -0.868 5.926 -3.040 1.00 91.38 19 A 1 ATOM 140 C CD1 . LEU A 1 19 ? 0.367 5.055 -2.811 1.00 88.99 19 A 1 ATOM 141 C CD2 . LEU A 1 19 ? -1.222 5.888 -4.524 1.00 89.44 19 A 1 ATOM 142 N N . ILE A 1 20 ? -4.792 7.097 -2.390 1.00 97.81 20 A 1 ATOM 143 C CA . ILE A 1 20 ? -5.792 7.968 -3.029 1.00 97.66 20 A 1 ATOM 144 C C . ILE A 1 20 ? -6.097 9.173 -2.141 1.00 98.06 20 A 1 ATOM 145 O O . ILE A 1 20 ? -6.099 10.303 -2.629 1.00 98.04 20 A 1 ATOM 146 C CB . ILE A 1 20 ? -7.069 7.175 -3.359 1.00 97.16 20 A 1 ATOM 147 C CG1 . ILE A 1 20 ? -6.788 6.160 -4.490 1.00 96.16 20 A 1 ATOM 148 C CG2 . ILE A 1 20 ? -8.215 8.116 -3.791 1.00 95.65 20 A 1 ATOM 149 C CD1 . ILE A 1 20 ? -7.894 5.124 -4.665 1.00 91.91 20 A 1 ATOM 150 N N . LEU A 1 21 ? -6.313 8.956 -0.837 1.00 97.54 21 A 1 ATOM 151 C CA . LEU A 1 21 ? -6.603 10.034 0.108 1.00 97.54 21 A 1 ATOM 152 C C . LEU A 1 21 ? -5.454 11.046 0.182 1.00 98.04 21 A 1 ATOM 153 O O . LEU A 1 21 ? -5.689 12.253 0.161 1.00 98.00 21 A 1 ATOM 154 C CB . LEU A 1 21 ? -6.879 9.417 1.489 1.00 97.16 21 A 1 ATOM 155 C CG . LEU A 1 21 ? -7.686 10.356 2.394 1.00 91.39 21 A 1 ATOM 156 C CD1 . LEU A 1 21 ? -9.186 10.116 2.203 1.00 89.87 21 A 1 ATOM 157 C CD2 . LEU A 1 21 ? -7.341 10.116 3.859 1.00 90.74 21 A 1 ATOM 158 N N . LEU A 1 22 ? -4.210 10.556 0.222 1.00 97.89 22 A 1 ATOM 159 C CA . LEU A 1 22 ? -3.012 11.390 0.221 1.00 97.88 22 A 1 ATOM 160 C C . LEU A 1 22 ? -2.882 12.188 -1.082 1.00 98.20 22 A 1 ATOM 161 O O . LEU A 1 22 ? -2.635 13.392 -1.037 1.00 98.16 22 A 1 ATOM 162 C CB . LEU A 1 22 ? -1.791 10.486 0.446 1.00 97.55 22 A 1 ATOM 163 C CG . LEU A 1 22 ? -0.491 11.269 0.700 1.00 92.26 22 A 1 ATOM 164 C CD1 . LEU A 1 22 ? -0.466 11.855 2.114 1.00 89.00 22 A 1 ATOM 165 C CD2 . LEU A 1 22 ? 0.711 10.338 0.549 1.00 90.18 22 A 1 ATOM 166 N N . CYS A 1 23 ? -3.085 11.549 -2.242 1.00 98.14 23 A 1 ATOM 167 C CA . CYS A 1 23 ? -3.071 12.233 -3.536 1.00 98.09 23 A 1 ATOM 168 C C . CYS A 1 23 ? -4.155 13.314 -3.613 1.00 98.34 23 A 1 ATOM 169 O O . CYS A 1 23 ? -3.869 14.423 -4.045 1.00 98.07 23 A 1 ATOM 170 C CB . CYS A 1 23 ? -3.244 11.209 -4.668 1.00 97.51 23 A 1 ATOM 171 S SG . CYS A 1 23 ? -1.722 10.269 -4.915 1.00 94.98 23 A 1 ATOM 172 N N . SER A 1 24 ? -5.368 13.026 -3.142 1.00 98.11 24 A 1 ATOM 173 C CA . SER A 1 24 ? -6.462 14.002 -3.112 1.00 98.17 24 A 1 ATOM 174 C C . SER A 1 24 ? -6.175 15.177 -2.173 1.00 98.42 24 A 1 ATOM 175 O O . SER A 1 24 ? -6.535 16.299 -2.494 1.00 98.00 24 A 1 ATOM 176 C CB . SER A 1 24 ? -7.770 13.330 -2.692 1.00 97.52 24 A 1 ATOM 177 O OG . SER A 1 24 ? -8.127 12.314 -3.610 1.00 90.28 24 A 1 ATOM 178 N N . ALA A 1 25 ? -5.500 14.942 -1.039 1.00 98.46 25 A 1 ATOM 179 C CA . ALA A 1 25 ? -5.130 16.005 -0.103 1.00 98.48 25 A 1 ATOM 180 C C . ALA A 1 25 ? -3.987 16.897 -0.620 1.00 98.63 25 A 1 ATOM 181 O O . ALA A 1 25 ? -3.889 18.053 -0.218 1.00 98.18 25 A 1 ATOM 182 C CB . ALA A 1 25 ? -4.761 15.357 1.237 1.00 98.15 25 A 1 ATOM 183 N N . VAL A 1 26 ? -3.110 16.368 -1.480 1.00 98.46 26 A 1 ATOM 184 C CA . VAL A 1 26 ? -1.976 17.112 -2.063 1.00 98.41 26 A 1 ATOM 185 C C . VAL A 1 26 ? -2.368 17.832 -3.358 1.00 98.46 26 A 1 ATOM 186 O O . VAL A 1 26 ? -1.842 18.911 -3.637 1.00 97.99 26 A 1 ATOM 187 C CB . VAL A 1 26 ? -0.785 16.159 -2.290 1.00 97.86 26 A 1 ATOM 188 C CG1 . VAL A 1 26 ? 0.381 16.815 -3.034 1.00 94.57 26 A 1 ATOM 189 C CG2 . VAL A 1 26 ? -0.230 15.655 -0.955 1.00 93.99 26 A 1 ATOM 190 N N . LEU A 1 27 ? -3.265 17.243 -4.150 1.00 97.82 27 A 1 ATOM 191 C CA . LEU A 1 27 ? -3.731 17.789 -5.435 1.00 97.50 27 A 1 ATOM 192 C C . LEU A 1 27 ? -5.017 18.617 -5.322 1.00 97.64 27 A 1 ATOM 193 O O . LEU A 1 27 ? -5.362 19.299 -6.290 1.00 96.80 27 A 1 ATOM 194 C CB . LEU A 1 27 ? -3.920 16.622 -6.423 1.00 96.30 27 A 1 ATOM 195 C CG . LEU A 1 27 ? -2.595 16.065 -6.977 1.00 92.16 27 A 1 ATOM 196 C CD1 . LEU A 1 27 ? -2.756 14.606 -7.398 1.00 86.58 27 A 1 ATOM 197 C CD2 . LEU A 1 27 ? -2.150 16.857 -8.207 1.00 85.07 27 A 1 ATOM 198 N N . GLY A 1 28 ? -5.735 18.546 -4.194 1.00 94.94 28 A 1 ATOM 199 C CA . GLY A 1 28 ? -6.986 19.257 -3.927 1.00 92.21 28 A 1 ATOM 200 C C . GLY A 1 28 ? -6.790 20.549 -3.148 1.00 87.78 28 A 1 ATOM 201 O O . GLY A 1 28 ? -5.846 20.626 -2.338 1.00 81.12 28 A 1 ATOM 202 O OXT . GLY A 1 28 ? -7.646 21.466 -3.339 1.00 86.25 28 A 1 #