# 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_spkb42967 # _entry.id spkb42967 # 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 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 GLY 2 1 n ALA 3 1 n ASP 4 1 n ARG 5 1 n GLY 6 1 n ARG 7 1 n GLY 8 1 n GLY 9 1 n ARG 10 1 n ARG 11 1 n ARG 12 1 n PRO 13 1 n ALA 14 1 n ARG 15 1 n VAL 16 1 n VAL 17 1 n ALA 18 1 n TYR 19 1 n ALA 20 1 n VAL 21 1 n GLY 22 1 n GLY 23 1 n VAL 24 1 n VAL 25 1 n LEU 26 1 n LEU 27 1 n ALA 28 1 n GLY 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 @ 2025-07-03 04:36:03)" _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 84.96 _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 74.68 1 1 A GLY 2 2 80.03 1 2 A ALA 3 2 77.36 1 3 A ASP 4 2 72.08 1 4 A ARG 5 2 72.60 1 5 A GLY 6 2 79.49 1 6 A ARG 7 2 71.65 1 7 A GLY 8 2 77.74 1 8 A GLY 9 2 78.18 1 9 A ARG 10 2 72.05 1 10 A ARG 11 2 73.55 1 11 A ARG 12 2 79.18 1 12 A PRO 13 2 88.67 1 13 A ALA 14 2 91.51 1 14 A ARG 15 2 84.69 1 15 A VAL 16 2 93.67 1 16 A VAL 17 2 94.29 1 17 A ALA 18 2 95.95 1 18 A TYR 19 2 92.57 1 19 A ALA 20 2 97.37 1 20 A VAL 21 2 96.07 1 21 A GLY 22 2 98.02 1 22 A GLY 23 2 98.09 1 23 A VAL 24 2 97.27 1 24 A VAL 25 2 97.08 1 25 A LEU 26 2 95.38 1 26 A LEU 27 2 94.57 1 27 A ALA 28 2 94.88 1 28 A GLY 29 2 80.93 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 GLY . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n ASP . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n ARG . 10 A 10 A 11 1 n ARG . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ARG . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n TYR . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n VAL . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n ALA . 28 A 28 A 29 1 n GLY . 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 ? -4.992 -28.270 1.567 1.00 81.73 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.804 -27.388 1.640 1.00 82.46 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.189 -26.043 1.045 1.00 82.55 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.435 -25.957 -0.150 1.00 73.81 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.616 -28.033 0.919 1.00 76.95 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.128 -29.281 1.677 1.00 72.83 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.898 -30.241 0.760 1.00 67.38 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.480 -31.488 1.985 1.00 59.73 1 A 1 ATOM 9 N N . GLY A 1 2 ? -4.400 -25.030 1.894 1.00 80.40 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -4.934 -23.732 1.486 1.00 80.28 2 A 1 ATOM 11 C C . GLY A 1 2 ? -3.901 -22.950 0.691 1.00 81.70 2 A 1 ATOM 12 O O . GLY A 1 2 ? -2.830 -22.644 1.199 1.00 77.76 2 A 1 ATOM 13 N N . ALA A 1 3 ? -4.212 -22.617 -0.558 1.00 76.92 3 A 1 ATOM 14 C CA . ALA A 1 3 ? -3.386 -21.718 -1.350 1.00 78.31 3 A 1 ATOM 15 C C . ALA A 1 3 ? -3.453 -20.320 -0.726 1.00 80.60 3 A 1 ATOM 16 O O . ALA A 1 3 ? -4.508 -19.684 -0.743 1.00 76.62 3 A 1 ATOM 17 C CB . ALA A 1 3 ? -3.871 -21.741 -2.798 1.00 74.37 3 A 1 ATOM 18 N N . ASP A 1 4 ? -2.331 -19.840 -0.207 1.00 77.36 4 A 1 ATOM 19 C CA . ASP A 1 4 ? -2.143 -18.499 0.343 1.00 78.36 4 A 1 ATOM 20 C C . ASP A 1 4 ? -2.211 -17.456 -0.788 1.00 80.09 4 A 1 ATOM 21 O O . ASP A 1 4 ? -1.240 -16.830 -1.196 1.00 76.47 4 A 1 ATOM 22 C CB . ASP A 1 4 ? -0.831 -18.485 1.145 1.00 74.05 4 A 1 ATOM 23 C CG . ASP A 1 4 ? -0.828 -17.418 2.233 1.00 66.19 4 A 1 ATOM 24 O OD1 . ASP A 1 4 ? -1.402 -16.332 1.995 1.00 60.52 4 A 1 ATOM 25 O OD2 . ASP A 1 4 ? -0.248 -17.704 3.296 1.00 63.61 4 A 1 ATOM 26 N N . ARG A 1 5 ? -3.400 -17.305 -1.398 1.00 83.78 5 A 1 ATOM 27 C CA . ARG A 1 5 ? -3.699 -16.345 -2.472 1.00 83.06 5 A 1 ATOM 28 C C . ARG A 1 5 ? -3.958 -14.952 -1.911 1.00 83.27 5 A 1 ATOM 29 O O . ARG A 1 5 ? -4.672 -14.160 -2.520 1.00 77.93 5 A 1 ATOM 30 C CB . ARG A 1 5 ? -4.837 -16.859 -3.365 1.00 79.80 5 A 1 ATOM 31 C CG . ARG A 1 5 ? -4.406 -18.009 -4.277 1.00 73.44 5 A 1 ATOM 32 C CD . ARG A 1 5 ? -5.566 -18.373 -5.202 1.00 71.96 5 A 1 ATOM 33 N NE . ARG A 1 5 ? -5.224 -19.486 -6.104 1.00 66.27 5 A 1 ATOM 34 C CZ . ARG A 1 5 ? -6.077 -20.144 -6.879 1.00 62.56 5 A 1 ATOM 35 N NH1 . ARG A 1 5 ? -7.346 -19.842 -6.921 1.00 58.62 5 A 1 ATOM 36 N NH2 . ARG A 1 5 ? -5.664 -21.134 -7.623 1.00 57.86 5 A 1 ATOM 37 N N . GLY A 1 6 ? -3.365 -14.600 -0.770 1.00 80.90 6 A 1 ATOM 38 C CA . GLY A 1 6 ? -3.414 -13.278 -0.158 1.00 78.61 6 A 1 ATOM 39 C C . GLY A 1 6 ? -2.591 -12.230 -0.910 1.00 80.91 6 A 1 ATOM 40 O O . GLY A 1 6 ? -1.746 -11.562 -0.325 1.00 77.53 6 A 1 ATOM 41 N N . ARG A 1 7 ? -2.841 -12.012 -2.223 1.00 84.17 7 A 1 ATOM 42 C CA . ARG A 1 7 ? -2.175 -10.973 -3.045 1.00 82.69 7 A 1 ATOM 43 C C . ARG A 1 7 ? -2.437 -9.538 -2.562 1.00 83.38 7 A 1 ATOM 44 O O . ARG A 1 7 ? -1.834 -8.604 -3.092 1.00 77.36 7 A 1 ATOM 45 C CB . ARG A 1 7 ? -2.603 -11.111 -4.519 1.00 78.77 7 A 1 ATOM 46 C CG . ARG A 1 7 ? -1.809 -12.163 -5.304 1.00 72.18 7 A 1 ATOM 47 C CD . ARG A 1 7 ? -2.218 -12.113 -6.779 1.00 69.63 7 A 1 ATOM 48 N NE . ARG A 1 7 ? -1.418 -13.031 -7.612 1.00 64.52 7 A 1 ATOM 49 C CZ . ARG A 1 7 ? -1.484 -13.138 -8.935 1.00 60.94 7 A 1 ATOM 50 N NH1 . ARG A 1 7 ? -2.292 -12.407 -9.647 1.00 57.22 7 A 1 ATOM 51 N NH2 . ARG A 1 7 ? -0.724 -13.998 -9.567 1.00 57.30 7 A 1 ATOM 52 N N . GLY A 1 8 ? -3.332 -9.325 -1.585 1.00 79.22 8 A 1 ATOM 53 C CA . GLY A 1 8 ? -3.781 -7.994 -1.170 1.00 77.47 8 A 1 ATOM 54 C C . GLY A 1 8 ? -2.885 -7.262 -0.176 1.00 80.36 8 A 1 ATOM 55 O O . GLY A 1 8 ? -2.952 -6.032 -0.107 1.00 73.91 8 A 1 ATOM 56 N N . GLY A 1 9 ? -2.061 -7.980 0.611 1.00 78.73 9 A 1 ATOM 57 C CA . GLY A 1 9 ? -1.398 -7.404 1.790 1.00 77.60 9 A 1 ATOM 58 C C . GLY A 1 9 ? -0.424 -6.267 1.487 1.00 81.30 9 A 1 ATOM 59 O O . GLY A 1 9 ? -0.464 -5.224 2.142 1.00 75.08 9 A 1 ATOM 60 N N . ARG A 1 10 ? 0.423 -6.411 0.452 1.00 82.33 10 A 1 ATOM 61 C CA . ARG A 1 10 ? 1.483 -5.421 0.156 1.00 82.63 10 A 1 ATOM 62 C C . ARG A 1 10 ? 0.964 -4.148 -0.526 1.00 84.38 10 A 1 ATOM 63 O O . ARG A 1 10 ? 1.647 -3.128 -0.521 1.00 79.84 10 A 1 ATOM 64 C CB . ARG A 1 10 ? 2.605 -6.107 -0.649 1.00 79.05 10 A 1 ATOM 65 C CG . ARG A 1 10 ? 3.946 -5.369 -0.496 1.00 72.06 10 A 1 ATOM 66 C CD . ARG A 1 10 ? 5.068 -6.123 -1.209 1.00 70.52 10 A 1 ATOM 67 N NE . ARG A 1 10 ? 6.388 -5.504 -0.960 1.00 65.06 10 A 1 ATOM 68 C CZ . ARG A 1 10 ? 7.533 -5.860 -1.523 1.00 61.00 10 A 1 ATOM 69 N NH1 . ARG A 1 10 ? 7.608 -6.809 -2.411 1.00 58.07 10 A 1 ATOM 70 N NH2 . ARG A 1 10 ? 8.642 -5.251 -1.193 1.00 57.66 10 A 1 ATOM 71 N N . ARG A 1 11 ? -0.250 -4.164 -1.120 1.00 85.68 11 A 1 ATOM 72 C CA . ARG A 1 11 ? -0.821 -2.994 -1.817 1.00 85.12 11 A 1 ATOM 73 C C . ARG A 1 11 ? -1.360 -1.936 -0.850 1.00 87.43 11 A 1 ATOM 74 O O . ARG A 1 11 ? -1.384 -0.761 -1.203 1.00 83.28 11 A 1 ATOM 75 C CB . ARG A 1 11 ? -1.913 -3.432 -2.800 1.00 81.58 11 A 1 ATOM 76 C CG . ARG A 1 11 ? -1.335 -4.206 -3.993 1.00 74.02 11 A 1 ATOM 77 C CD . ARG A 1 11 ? -2.439 -4.510 -5.002 1.00 71.34 11 A 1 ATOM 78 N NE . ARG A 1 11 ? -1.908 -5.208 -6.195 1.00 65.31 11 A 1 ATOM 79 C CZ . ARG A 1 11 ? -2.617 -5.567 -7.252 1.00 60.89 11 A 1 ATOM 80 N NH1 . ARG A 1 11 ? -3.904 -5.355 -7.331 1.00 57.77 11 A 1 ATOM 81 N NH2 . ARG A 1 11 ? -2.033 -6.155 -8.266 1.00 56.64 11 A 1 ATOM 82 N N . ARG A 1 12 ? -1.787 -2.322 0.354 1.00 89.35 12 A 1 ATOM 83 C CA . ARG A 1 12 ? -2.310 -1.382 1.359 1.00 89.79 12 A 1 ATOM 84 C C . ARG A 1 12 ? -1.222 -0.450 1.916 1.00 92.23 12 A 1 ATOM 85 O O . ARG A 1 12 ? -1.439 0.760 1.834 1.00 89.75 12 A 1 ATOM 86 C CB . ARG A 1 12 ? -3.063 -2.122 2.474 1.00 86.49 12 A 1 ATOM 87 C CG . ARG A 1 12 ? -4.402 -2.690 1.987 1.00 78.87 12 A 1 ATOM 88 C CD . ARG A 1 12 ? -5.164 -3.297 3.167 1.00 76.00 12 A 1 ATOM 89 N NE . ARG A 1 12 ? -6.491 -3.810 2.768 1.00 71.21 12 A 1 ATOM 90 C CZ . ARG A 1 12 ? -7.400 -4.305 3.590 1.00 68.68 12 A 1 ATOM 91 N NH1 . ARG A 1 12 ? -7.191 -4.405 4.875 1.00 64.51 12 A 1 ATOM 92 N NH2 . ARG A 1 12 ? -8.551 -4.717 3.127 1.00 64.08 12 A 1 ATOM 93 N N . PRO A 1 13 ? -0.064 -0.922 2.405 1.00 89.98 13 A 1 ATOM 94 C CA . PRO A 1 13 ? 0.979 -0.031 2.913 1.00 90.87 13 A 1 ATOM 95 C C . PRO A 1 13 ? 1.550 0.880 1.823 1.00 92.18 13 A 1 ATOM 96 O O . PRO A 1 13 ? 1.745 2.065 2.080 1.00 89.77 13 A 1 ATOM 97 C CB . PRO A 1 13 ? 2.045 -0.945 3.531 1.00 88.28 13 A 1 ATOM 98 C CG . PRO A 1 13 ? 1.824 -2.283 2.843 1.00 83.09 13 A 1 ATOM 99 C CD . PRO A 1 13 ? 0.316 -2.294 2.602 1.00 86.52 13 A 1 ATOM 100 N N . ALA A 1 14 ? 1.725 0.389 0.593 1.00 92.15 14 A 1 ATOM 101 C CA . ALA A 1 14 ? 2.176 1.221 -0.522 1.00 92.02 14 A 1 ATOM 102 C C . ALA A 1 14 ? 1.197 2.367 -0.831 1.00 92.70 14 A 1 ATOM 103 O O . ALA A 1 14 ? 1.617 3.482 -1.125 1.00 90.60 14 A 1 ATOM 104 C CB . ALA A 1 14 ? 2.379 0.327 -1.749 1.00 90.10 14 A 1 ATOM 105 N N . ARG A 1 15 ? -0.119 2.112 -0.712 1.00 94.76 15 A 1 ATOM 106 C CA . ARG A 1 15 ? -1.148 3.140 -0.881 1.00 94.44 15 A 1 ATOM 107 C C . ARG A 1 15 ? -1.101 4.173 0.248 1.00 95.34 15 A 1 ATOM 108 O O . ARG A 1 15 ? -1.193 5.358 -0.044 1.00 93.78 15 A 1 ATOM 109 C CB . ARG A 1 15 ? -2.515 2.456 -0.997 1.00 92.67 15 A 1 ATOM 110 C CG . ARG A 1 15 ? -3.613 3.468 -1.339 1.00 85.37 15 A 1 ATOM 111 C CD . ARG A 1 15 ? -4.976 2.785 -1.424 1.00 82.95 15 A 1 ATOM 112 N NE . ARG A 1 15 ? -5.055 1.874 -2.594 1.00 78.00 15 A 1 ATOM 113 C CZ . ARG A 1 15 ? -6.071 1.070 -2.866 1.00 75.52 15 A 1 ATOM 114 N NH1 . ARG A 1 15 ? -7.097 0.959 -2.073 1.00 69.60 15 A 1 ATOM 115 N NH2 . ARG A 1 15 ? -6.065 0.361 -3.965 1.00 69.21 15 A 1 ATOM 116 N N . VAL A 1 16 ? -0.911 3.751 1.506 1.00 94.67 16 A 1 ATOM 117 C CA . VAL A 1 16 ? -0.777 4.663 2.652 1.00 94.84 16 A 1 ATOM 118 C C . VAL A 1 16 ? 0.434 5.583 2.478 1.00 95.79 16 A 1 ATOM 119 O O . VAL A 1 16 ? 0.297 6.795 2.638 1.00 95.26 16 A 1 ATOM 120 C CB . VAL A 1 16 ? -0.692 3.881 3.971 1.00 93.84 16 A 1 ATOM 121 C CG1 . VAL A 1 16 ? -0.400 4.793 5.164 1.00 90.38 16 A 1 ATOM 122 C CG2 . VAL A 1 16 ? -2.012 3.159 4.247 1.00 90.88 16 A 1 ATOM 123 N N . VAL A 1 17 ? 1.585 5.037 2.082 1.00 95.39 17 A 1 ATOM 124 C CA . VAL A 1 17 ? 2.789 5.832 1.794 1.00 95.37 17 A 1 ATOM 125 C C . VAL A 1 17 ? 2.548 6.794 0.628 1.00 96.01 17 A 1 ATOM 126 O O . VAL A 1 17 ? 2.894 7.969 0.738 1.00 95.65 17 A 1 ATOM 127 C CB . VAL A 1 17 ? 3.996 4.918 1.517 1.00 94.43 17 A 1 ATOM 128 C CG1 . VAL A 1 17 ? 5.234 5.710 1.086 1.00 91.36 17 A 1 ATOM 129 C CG2 . VAL A 1 17 ? 4.368 4.128 2.772 1.00 91.84 17 A 1 ATOM 130 N N . ALA A 1 18 ? 1.900 6.352 -0.451 1.00 96.25 18 A 1 ATOM 131 C CA . ALA A 1 18 ? 1.578 7.217 -1.583 1.00 96.17 18 A 1 ATOM 132 C C . ALA A 1 18 ? 0.658 8.384 -1.186 1.00 96.67 18 A 1 ATOM 133 O O . ALA A 1 18 ? 0.877 9.504 -1.635 1.00 95.63 18 A 1 ATOM 134 C CB . ALA A 1 18 ? 0.952 6.372 -2.695 1.00 95.02 18 A 1 ATOM 135 N N . TYR A 1 19 ? -0.329 8.151 -0.309 1.00 96.80 19 A 1 ATOM 136 C CA . TYR A 1 19 ? -1.178 9.220 0.206 1.00 96.60 19 A 1 ATOM 137 C C . TYR A 1 19 ? -0.428 10.166 1.141 1.00 96.97 19 A 1 ATOM 138 O O . TYR A 1 19 ? -0.664 11.371 1.079 1.00 96.05 19 A 1 ATOM 139 C CB . TYR A 1 19 ? -2.399 8.635 0.917 1.00 95.73 19 A 1 ATOM 140 C CG . TYR A 1 19 ? -3.465 8.108 -0.018 1.00 93.82 19 A 1 ATOM 141 C CD1 . TYR A 1 19 ? -4.038 8.961 -0.981 1.00 90.88 19 A 1 ATOM 142 C CD2 . TYR A 1 19 ? -3.920 6.783 0.087 1.00 90.31 19 A 1 ATOM 143 C CE1 . TYR A 1 19 ? -5.036 8.484 -1.844 1.00 88.99 19 A 1 ATOM 144 C CE2 . TYR A 1 19 ? -4.920 6.300 -0.771 1.00 88.50 19 A 1 ATOM 145 C CZ . TYR A 1 19 ? -5.471 7.154 -1.740 1.00 89.46 19 A 1 ATOM 146 O OH . TYR A 1 19 ? -6.443 6.687 -2.591 1.00 86.68 19 A 1 ATOM 147 N N . ALA A 1 20 ? 0.484 9.664 1.982 1.00 97.57 20 A 1 ATOM 148 C CA . ALA A 1 20 ? 1.301 10.508 2.851 1.00 97.53 20 A 1 ATOM 149 C C . ALA A 1 20 ? 2.218 11.432 2.032 1.00 97.84 20 A 1 ATOM 150 O O . ALA A 1 20 ? 2.218 12.643 2.248 1.00 97.11 20 A 1 ATOM 151 C CB . ALA A 1 20 ? 2.095 9.609 3.807 1.00 96.80 20 A 1 ATOM 152 N N . VAL A 1 21 ? 2.939 10.881 1.051 1.00 97.52 21 A 1 ATOM 153 C CA . VAL A 1 21 ? 3.810 11.659 0.159 1.00 97.33 21 A 1 ATOM 154 C C . VAL A 1 21 ? 2.991 12.616 -0.710 1.00 97.64 21 A 1 ATOM 155 O O . VAL A 1 21 ? 3.322 13.799 -0.793 1.00 97.05 21 A 1 ATOM 156 C CB . VAL A 1 21 ? 4.677 10.719 -0.707 1.00 96.29 21 A 1 ATOM 157 C CG1 . VAL A 1 21 ? 5.518 11.491 -1.724 1.00 92.62 21 A 1 ATOM 158 C CG2 . VAL A 1 21 ? 5.639 9.907 0.164 1.00 94.06 21 A 1 ATOM 159 N N . GLY A 1 22 ? 1.898 12.141 -1.294 1.00 97.99 22 A 1 ATOM 160 C CA . GLY A 1 22 ? 1.004 12.977 -2.097 1.00 97.97 22 A 1 ATOM 161 C C . GLY A 1 22 ? 0.397 14.132 -1.295 1.00 98.24 22 A 1 ATOM 162 O O . GLY A 1 22 ? 0.342 15.249 -1.792 1.00 97.89 22 A 1 ATOM 163 N N . GLY A 1 23 ? 0.019 13.888 -0.036 1.00 98.02 23 A 1 ATOM 164 C CA . GLY A 1 23 ? -0.466 14.928 0.869 1.00 97.99 23 A 1 ATOM 165 C C . GLY A 1 23 ? 0.586 16.003 1.145 1.00 98.32 23 A 1 ATOM 166 O O . GLY A 1 23 ? 0.269 17.186 1.073 1.00 98.02 23 A 1 ATOM 167 N N . VAL A 1 24 ? 1.849 15.611 1.395 1.00 98.23 24 A 1 ATOM 168 C CA . VAL A 1 24 ? 2.957 16.567 1.580 1.00 98.27 24 A 1 ATOM 169 C C . VAL A 1 24 ? 3.195 17.394 0.314 1.00 98.52 24 A 1 ATOM 170 O O . VAL A 1 24 ? 3.345 18.612 0.411 1.00 98.18 24 A 1 ATOM 171 C CB . VAL A 1 24 ? 4.246 15.843 2.012 1.00 97.63 24 A 1 ATOM 172 C CG1 . VAL A 1 24 ? 5.455 16.778 2.058 1.00 94.67 24 A 1 ATOM 173 C CG2 . VAL A 1 24 ? 4.081 15.244 3.412 1.00 95.39 24 A 1 ATOM 174 N N . VAL A 1 25 ? 3.184 16.765 -0.871 1.00 98.13 25 A 1 ATOM 175 C CA . VAL A 1 25 ? 3.352 17.477 -2.151 1.00 98.11 25 A 1 ATOM 176 C C . VAL A 1 25 ? 2.212 18.470 -2.391 1.00 98.34 25 A 1 ATOM 177 O O . VAL A 1 25 ? 2.470 19.600 -2.793 1.00 97.98 25 A 1 ATOM 178 C CB . VAL A 1 25 ? 3.476 16.478 -3.317 1.00 97.43 25 A 1 ATOM 179 C CG1 . VAL A 1 25 ? 3.481 17.161 -4.687 1.00 94.59 25 A 1 ATOM 180 C CG2 . VAL A 1 25 ? 4.782 15.685 -3.208 1.00 94.95 25 A 1 ATOM 181 N N . LEU A 1 26 ? 0.975 18.091 -2.087 1.00 98.09 26 A 1 ATOM 182 C CA . LEU A 1 26 ? -0.180 18.985 -2.224 1.00 97.97 26 A 1 ATOM 183 C C . LEU A 1 26 ? -0.152 20.153 -1.229 1.00 98.23 26 A 1 ATOM 184 O O . LEU A 1 26 ? -0.659 21.224 -1.547 1.00 97.65 26 A 1 ATOM 185 C CB . LEU A 1 26 ? -1.472 18.178 -2.028 1.00 97.26 26 A 1 ATOM 186 C CG . LEU A 1 26 ? -1.820 17.240 -3.199 1.00 93.16 26 A 1 ATOM 187 C CD1 . LEU A 1 26 ? -2.978 16.333 -2.787 1.00 90.85 26 A 1 ATOM 188 C CD2 . LEU A 1 26 ? -2.236 18.008 -4.450 1.00 89.87 26 A 1 ATOM 189 N N . LEU A 1 27 ? 0.429 19.961 -0.040 1.00 97.92 27 A 1 ATOM 190 C CA . LEU A 1 27 ? 0.586 21.030 0.952 1.00 97.69 27 A 1 ATOM 191 C C . LEU A 1 27 ? 1.757 21.969 0.626 1.00 97.85 27 A 1 ATOM 192 O O . LEU A 1 27 ? 1.755 23.113 1.084 1.00 96.89 27 A 1 ATOM 193 C CB . LEU A 1 27 ? 0.795 20.399 2.339 1.00 96.72 27 A 1 ATOM 194 C CG . LEU A 1 27 ? -0.468 19.755 2.941 1.00 92.54 27 A 1 ATOM 195 C CD1 . LEU A 1 27 ? -0.083 18.945 4.178 1.00 89.19 27 A 1 ATOM 196 C CD2 . LEU A 1 27 ? -1.501 20.801 3.359 1.00 87.78 27 A 1 ATOM 197 N N . ALA A 1 28 ? 2.756 21.490 -0.122 1.00 96.27 28 A 1 ATOM 198 C CA . ALA A 1 28 ? 3.935 22.261 -0.515 1.00 95.54 28 A 1 ATOM 199 C C . ALA A 1 28 ? 3.772 22.994 -1.865 1.00 95.72 28 A 1 ATOM 200 O O . ALA A 1 28 ? 4.629 23.806 -2.212 1.00 93.37 28 A 1 ATOM 201 C CB . ALA A 1 28 ? 5.140 21.305 -0.524 1.00 93.52 28 A 1 ATOM 202 N N . GLY A 1 29 ? 2.718 22.682 -2.632 1.00 90.88 29 A 1 ATOM 203 C CA . GLY A 1 29 ? 2.402 23.263 -3.936 1.00 85.28 29 A 1 ATOM 204 C C . GLY A 1 29 ? 1.410 24.417 -3.878 1.00 78.35 29 A 1 ATOM 205 O O . GLY A 1 29 ? 0.773 24.628 -2.831 1.00 72.66 29 A 1 ATOM 206 O OXT . GLY A 1 29 ? 1.271 25.102 -4.942 1.00 77.50 29 A 1 #