# 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_spkb16959 # _entry.id spkb16959 # 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" "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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "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 SER 3 1 n PHE 4 1 n CYS 5 1 n ALA 6 1 n SER 7 1 n LYS 8 1 n PHE 9 1 n LEU 10 1 n PRO 11 1 n GLY 12 1 n LEU 13 1 n LEU 14 1 n MET 15 1 n LEU 16 1 n GLY 17 1 n LEU 18 1 n GLY 19 1 n LEU 20 1 n ALA 21 1 n VAL 22 1 n ALA 23 1 n LEU 24 1 n ALA 25 # _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 @ 2025-07-06 05:28:33)" _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 85.33 _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 67.94 1 1 A ALA 2 2 78.31 1 2 A SER 3 2 78.28 1 3 A PHE 4 2 77.84 1 4 A CYS 5 2 80.50 1 5 A ALA 6 2 85.48 1 6 A SER 7 2 85.34 1 7 A LYS 8 2 83.43 1 8 A PHE 9 2 82.19 1 9 A LEU 10 2 85.37 1 10 A PRO 11 2 89.88 1 11 A GLY 12 2 91.34 1 12 A LEU 13 2 87.24 1 13 A LEU 14 2 86.92 1 14 A MET 15 2 85.09 1 15 A LEU 16 2 86.81 1 16 A GLY 17 2 92.55 1 17 A LEU 18 2 88.16 1 18 A GLY 19 2 93.78 1 19 A LEU 20 2 89.16 1 20 A ALA 21 2 94.62 1 21 A VAL 22 2 92.22 1 22 A ALA 23 2 94.36 1 23 A LEU 24 2 89.03 1 24 A ALA 25 2 85.09 1 25 # _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 SER . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n CYS . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n MET . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n ALA . 25 A 25 # _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 ? -18.789 -2.659 5.053 1.00 72.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.421 -2.428 5.559 1.00 75.17 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.398 -3.366 4.914 1.00 76.03 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.204 -3.190 5.116 1.00 71.55 1 A 1 ATOM 5 C CB . MET A 1 1 ? -17.383 -2.599 7.080 1.00 68.44 1 A 1 ATOM 6 C CG . MET A 1 1 ? -18.032 -1.424 7.805 1.00 64.27 1 A 1 ATOM 7 S SD . MET A 1 1 ? -17.852 -1.544 9.588 1.00 60.88 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.512 0.056 10.075 1.00 54.60 1 A 1 ATOM 9 N N . ALA A 1 2 ? -16.869 -4.334 4.157 1.00 75.59 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -15.969 -5.293 3.506 1.00 79.88 2 A 1 ATOM 11 C C . ALA A 1 2 ? -15.048 -4.615 2.491 1.00 82.02 2 A 1 ATOM 12 O O . ALA A 1 2 ? -13.880 -4.978 2.358 1.00 78.51 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -16.791 -6.387 2.837 1.00 75.57 2 A 1 ATOM 14 N N . SER A 1 3 ? -15.579 -3.611 1.785 1.00 78.18 3 A 1 ATOM 15 C CA . SER A 1 3 ? -14.809 -2.878 0.773 1.00 81.22 3 A 1 ATOM 16 C C . SER A 1 3 ? -13.753 -1.965 1.395 1.00 83.06 3 A 1 ATOM 17 O O . SER A 1 3 ? -12.808 -1.550 0.729 1.00 80.69 3 A 1 ATOM 18 C CB . SER A 1 3 ? -15.753 -2.067 -0.109 1.00 78.46 3 A 1 ATOM 19 O OG . SER A 1 3 ? -15.104 -1.637 -1.286 1.00 68.09 3 A 1 ATOM 20 N N . PHE A 1 4 ? -13.913 -1.656 2.683 1.00 82.36 4 A 1 ATOM 21 C CA . PHE A 1 4 ? -12.977 -0.784 3.395 1.00 83.13 4 A 1 ATOM 22 C C . PHE A 1 4 ? -11.590 -1.410 3.496 1.00 86.36 4 A 1 ATOM 23 O O . PHE A 1 4 ? -10.577 -0.710 3.420 1.00 84.24 4 A 1 ATOM 24 C CB . PHE A 1 4 ? -13.513 -0.479 4.796 1.00 80.43 4 A 1 ATOM 25 C CG . PHE A 1 4 ? -13.820 0.984 5.003 1.00 76.78 4 A 1 ATOM 26 C CD1 . PHE A 1 4 ? -12.836 1.858 5.445 1.00 75.18 4 A 1 ATOM 27 C CD2 . PHE A 1 4 ? -15.098 1.471 4.751 1.00 74.12 4 A 1 ATOM 28 C CE1 . PHE A 1 4 ? -13.121 3.206 5.637 1.00 71.20 4 A 1 ATOM 29 C CE2 . PHE A 1 4 ? -15.389 2.821 4.938 1.00 71.93 4 A 1 ATOM 30 C CZ . PHE A 1 4 ? -14.400 3.691 5.383 1.00 70.54 4 A 1 ATOM 31 N N . CYS A 1 5 ? -11.531 -2.735 3.659 1.00 83.35 5 A 1 ATOM 32 C CA . CYS A 1 5 ? -10.258 -3.441 3.767 1.00 83.77 5 A 1 ATOM 33 C C . CYS A 1 5 ? -9.455 -3.331 2.471 1.00 85.33 5 A 1 ATOM 34 O O . CYS A 1 5 ? -8.272 -3.006 2.488 1.00 82.77 5 A 1 ATOM 35 C CB . CYS A 1 5 ? -10.501 -4.907 4.132 1.00 78.54 5 A 1 ATOM 36 S SG . CYS A 1 5 ? -11.165 -5.093 5.804 1.00 69.24 5 A 1 ATOM 37 N N . ALA A 1 6 ? -10.114 -3.591 1.340 1.00 84.05 6 A 1 ATOM 38 C CA . ALA A 1 6 ? -9.449 -3.535 0.041 1.00 85.76 6 A 1 ATOM 39 C C . ALA A 1 6 ? -9.068 -2.103 -0.337 1.00 87.72 6 A 1 ATOM 40 O O . ALA A 1 6 ? -7.990 -1.869 -0.882 1.00 86.27 6 A 1 ATOM 41 C CB . ALA A 1 6 ? -10.358 -4.147 -1.017 1.00 83.58 6 A 1 ATOM 42 N N . SER A 1 7 ? -9.941 -1.141 -0.034 1.00 86.70 7 A 1 ATOM 43 C CA . SER A 1 7 ? -9.714 0.259 -0.397 1.00 87.38 7 A 1 ATOM 44 C C . SER A 1 7 ? -8.691 0.947 0.506 1.00 88.96 7 A 1 ATOM 45 O O . SER A 1 7 ? -8.072 1.927 0.102 1.00 87.02 7 A 1 ATOM 46 C CB . SER A 1 7 ? -11.030 1.032 -0.362 1.00 85.86 7 A 1 ATOM 47 O OG . SER A 1 7 ? -11.897 0.586 -1.391 1.00 76.15 7 A 1 ATOM 48 N N . LYS A 1 8 ? -8.518 0.444 1.729 1.00 88.61 8 A 1 ATOM 49 C CA . LYS A 1 8 ? -7.592 1.051 2.692 1.00 89.19 8 A 1 ATOM 50 C C . LYS A 1 8 ? -6.294 0.260 2.832 1.00 90.28 8 A 1 ATOM 51 O O . LYS A 1 8 ? -5.212 0.843 2.926 1.00 90.02 8 A 1 ATOM 52 C CB . LYS A 1 8 ? -8.283 1.189 4.052 1.00 87.92 8 A 1 ATOM 53 C CG . LYS A 1 8 ? -7.512 2.093 5.002 1.00 82.51 8 A 1 ATOM 54 C CD . LYS A 1 8 ? -8.001 1.960 6.426 1.00 79.13 8 A 1 ATOM 55 C CE . LYS A 1 8 ? -7.113 2.764 7.369 1.00 74.57 8 A 1 ATOM 56 N NZ . LYS A 1 8 ? -7.523 2.597 8.788 1.00 68.67 8 A 1 ATOM 57 N N . PHE A 1 9 ? -6.395 -1.067 2.846 1.00 86.33 9 A 1 ATOM 58 C CA . PHE A 1 9 ? -5.216 -1.909 3.057 1.00 86.39 9 A 1 ATOM 59 C C . PHE A 1 9 ? -4.358 -2.013 1.801 1.00 89.56 9 A 1 ATOM 60 O O . PHE A 1 9 ? -3.131 -2.071 1.902 1.00 88.14 9 A 1 ATOM 61 C CB . PHE A 1 9 ? -5.633 -3.302 3.527 1.00 84.62 9 A 1 ATOM 62 C CG . PHE A 1 9 ? -5.861 -3.374 5.021 1.00 81.11 9 A 1 ATOM 63 C CD1 . PHE A 1 9 ? -6.985 -2.809 5.599 1.00 78.91 9 A 1 ATOM 64 C CD2 . PHE A 1 9 ? -4.933 -4.007 5.835 1.00 78.17 9 A 1 ATOM 65 C CE1 . PHE A 1 9 ? -7.188 -2.869 6.974 1.00 76.41 9 A 1 ATOM 66 C CE2 . PHE A 1 9 ? -5.128 -4.075 7.209 1.00 77.70 9 A 1 ATOM 67 C CZ . PHE A 1 9 ? -6.258 -3.505 7.778 1.00 76.73 9 A 1 ATOM 68 N N . LEU A 1 10 ? -4.983 -2.024 0.622 1.00 89.36 10 A 1 ATOM 69 C CA . LEU A 1 10 ? -4.234 -2.089 -0.634 1.00 89.30 10 A 1 ATOM 70 C C . LEU A 1 10 ? -3.292 -0.891 -0.792 1.00 91.30 10 A 1 ATOM 71 O O . LEU A 1 10 ? -2.082 -1.078 -0.952 1.00 90.99 10 A 1 ATOM 72 C CB . LEU A 1 10 ? -5.201 -2.210 -1.828 1.00 88.00 10 A 1 ATOM 73 C CG . LEU A 1 10 ? -5.225 -3.598 -2.488 1.00 81.20 10 A 1 ATOM 74 C CD1 . LEU A 1 10 ? -3.932 -3.873 -3.214 1.00 76.71 10 A 1 ATOM 75 C CD2 . LEU A 1 10 ? -5.514 -4.677 -1.457 1.00 76.09 10 A 1 ATOM 76 N N . PRO A 1 11 ? -3.809 0.349 -0.736 1.00 90.87 11 A 1 ATOM 77 C CA . PRO A 1 11 ? -2.934 1.524 -0.821 1.00 91.40 11 A 1 ATOM 78 C C . PRO A 1 11 ? -2.034 1.658 0.401 1.00 92.80 11 A 1 ATOM 79 O O . PRO A 1 11 ? -0.912 2.151 0.288 1.00 90.83 11 A 1 ATOM 80 C CB . PRO A 1 11 ? -3.905 2.707 -0.929 1.00 88.63 11 A 1 ATOM 81 C CG . PRO A 1 11 ? -5.192 2.202 -0.360 1.00 85.67 11 A 1 ATOM 82 C CD . PRO A 1 11 ? -5.215 0.728 -0.678 1.00 88.94 11 A 1 ATOM 83 N N . GLY A 1 12 ? -2.504 1.219 1.561 1.00 90.62 12 A 1 ATOM 84 C CA . GLY A 1 12 ? -1.704 1.253 2.779 1.00 90.78 12 A 1 ATOM 85 C C . GLY A 1 12 ? -0.476 0.365 2.675 1.00 92.72 12 A 1 ATOM 86 O O . GLY A 1 12 ? 0.631 0.780 3.027 1.00 91.26 12 A 1 ATOM 87 N N . LEU A 1 13 ? -0.663 -0.853 2.166 1.00 90.40 13 A 1 ATOM 88 C CA . LEU A 1 13 ? 0.442 -1.783 1.951 1.00 90.86 13 A 1 ATOM 89 C C . LEU A 1 13 ? 1.403 -1.249 0.897 1.00 92.50 13 A 1 ATOM 90 O O . LEU A 1 13 ? 2.620 -1.394 1.031 1.00 91.38 13 A 1 ATOM 91 C CB . LEU A 1 13 ? -0.109 -3.149 1.521 1.00 89.45 13 A 1 ATOM 92 C CG . LEU A 1 13 ? -0.433 -4.069 2.701 1.00 83.80 13 A 1 ATOM 93 C CD1 . LEU A 1 13 ? -1.458 -5.117 2.297 1.00 80.67 13 A 1 ATOM 94 C CD2 . LEU A 1 13 ? 0.837 -4.749 3.196 1.00 78.85 13 A 1 ATOM 95 N N . LEU A 1 14 ? 0.856 -0.631 -0.137 1.00 90.90 14 A 1 ATOM 96 C CA . LEU A 1 14 ? 1.669 -0.043 -1.198 1.00 90.38 14 A 1 ATOM 97 C C . LEU A 1 14 ? 2.544 1.080 -0.646 1.00 92.51 14 A 1 ATOM 98 O O . LEU A 1 14 ? 3.733 1.160 -0.956 1.00 92.08 14 A 1 ATOM 99 C CB . LEU A 1 14 ? 0.756 0.473 -2.313 1.00 89.35 14 A 1 ATOM 100 C CG . LEU A 1 14 ? 1.465 0.646 -3.652 1.00 82.64 14 A 1 ATOM 101 C CD1 . LEU A 1 14 ? 0.656 -0.008 -4.767 1.00 78.93 14 A 1 ATOM 102 C CD2 . LEU A 1 14 ? 1.681 2.113 -3.964 1.00 78.58 14 A 1 ATOM 103 N N . MET A 1 15 ? 1.964 1.935 0.185 1.00 89.75 15 A 1 ATOM 104 C CA . MET A 1 15 ? 2.706 3.028 0.812 1.00 89.89 15 A 1 ATOM 105 C C . MET A 1 15 ? 3.753 2.498 1.790 1.00 91.64 15 A 1 ATOM 106 O O . MET A 1 15 ? 4.858 3.031 1.869 1.00 90.41 15 A 1 ATOM 107 C CB . MET A 1 15 ? 1.749 3.970 1.537 1.00 87.93 15 A 1 ATOM 108 C CG . MET A 1 15 ? 0.990 4.868 0.572 1.00 84.66 15 A 1 ATOM 109 S SD . MET A 1 15 ? 0.471 6.409 1.328 1.00 77.77 15 A 1 ATOM 110 C CE . MET A 1 15 ? 0.096 7.362 -0.140 1.00 68.68 15 A 1 ATOM 111 N N . LEU A 1 16 ? 3.403 1.447 2.505 1.00 90.46 16 A 1 ATOM 112 C CA . LEU A 1 16 ? 4.330 0.820 3.444 1.00 90.48 16 A 1 ATOM 113 C C . LEU A 1 16 ? 5.520 0.223 2.695 1.00 92.84 16 A 1 ATOM 114 O O . LEU A 1 16 ? 6.670 0.376 3.117 1.00 92.10 16 A 1 ATOM 115 C CB . LEU A 1 16 ? 3.596 -0.254 4.249 1.00 89.28 16 A 1 ATOM 116 C CG . LEU A 1 16 ? 4.309 -0.648 5.544 1.00 82.03 16 A 1 ATOM 117 C CD1 . LEU A 1 16 ? 3.310 -0.727 6.693 1.00 79.09 16 A 1 ATOM 118 C CD2 . LEU A 1 16 ? 5.026 -1.972 5.390 1.00 78.17 16 A 1 ATOM 119 N N . GLY A 1 17 ? 5.238 -0.437 1.577 1.00 91.78 17 A 1 ATOM 120 C CA . GLY A 1 17 ? 6.294 -0.997 0.740 1.00 91.64 17 A 1 ATOM 121 C C . GLY A 1 17 ? 7.190 0.082 0.162 1.00 93.43 17 A 1 ATOM 122 O O . GLY A 1 17 ? 8.411 -0.077 0.102 1.00 93.34 17 A 1 ATOM 123 N N . LEU A 1 18 ? 6.587 1.198 -0.244 1.00 92.11 18 A 1 ATOM 124 C CA . LEU A 1 18 ? 7.342 2.335 -0.763 1.00 92.01 18 A 1 ATOM 125 C C . LEU A 1 18 ? 8.262 2.908 0.311 1.00 93.74 18 A 1 ATOM 126 O O . LEU A 1 18 ? 9.428 3.209 0.044 1.00 92.87 18 A 1 ATOM 127 C CB . LEU A 1 18 ? 6.379 3.420 -1.264 1.00 90.62 18 A 1 ATOM 128 C CG . LEU A 1 18 ? 6.843 4.083 -2.561 1.00 83.94 18 A 1 ATOM 129 C CD1 . LEU A 1 18 ? 6.281 3.341 -3.763 1.00 80.52 18 A 1 ATOM 130 C CD2 . LEU A 1 18 ? 6.418 5.539 -2.595 1.00 79.44 18 A 1 ATOM 131 N N . GLY A 1 19 ? 7.739 3.049 1.525 1.00 93.15 19 A 1 ATOM 132 C CA . GLY A 1 19 ? 8.532 3.548 2.646 1.00 93.22 19 A 1 ATOM 133 C C . GLY A 1 19 ? 9.698 2.631 2.963 1.00 94.52 19 A 1 ATOM 134 O O . GLY A 1 19 ? 10.810 3.094 3.235 1.00 94.22 19 A 1 ATOM 135 N N . LEU A 1 20 ? 9.448 1.321 2.899 1.00 93.68 20 A 1 ATOM 136 C CA . LEU A 1 20 ? 10.498 0.333 3.124 1.00 93.56 20 A 1 ATOM 137 C C . LEU A 1 20 ? 11.571 0.428 2.045 1.00 94.84 20 A 1 ATOM 138 O O . LEU A 1 20 ? 12.765 0.354 2.339 1.00 94.47 20 A 1 ATOM 139 C CB . LEU A 1 20 ? 9.897 -1.077 3.143 1.00 92.29 20 A 1 ATOM 140 C CG . LEU A 1 20 ? 10.646 -2.034 4.071 1.00 83.69 20 A 1 ATOM 141 C CD1 . LEU A 1 20 ? 9.910 -2.167 5.398 1.00 80.35 20 A 1 ATOM 142 C CD2 . LEU A 1 20 ? 10.808 -3.398 3.424 1.00 80.43 20 A 1 ATOM 143 N N . ALA A 1 21 ? 11.141 0.605 0.792 1.00 94.81 21 A 1 ATOM 144 C CA . ALA A 1 21 ? 12.075 0.747 -0.322 1.00 94.61 21 A 1 ATOM 145 C C . ALA A 1 21 ? 12.953 1.987 -0.152 1.00 95.64 21 A 1 ATOM 146 O O . ALA A 1 21 ? 14.150 1.946 -0.439 1.00 94.67 21 A 1 ATOM 147 C CB . ALA A 1 21 ? 11.300 0.814 -1.635 1.00 93.36 21 A 1 ATOM 148 N N . VAL A 1 22 ? 12.365 3.082 0.328 1.00 94.29 22 A 1 ATOM 149 C CA . VAL A 1 22 ? 13.112 4.320 0.583 1.00 93.86 22 A 1 ATOM 150 C C . VAL A 1 22 ? 14.107 4.122 1.725 1.00 94.60 22 A 1 ATOM 151 O O . VAL A 1 22 ? 15.231 4.634 1.674 1.00 94.14 22 A 1 ATOM 152 C CB . VAL A 1 22 ? 12.152 5.478 0.903 1.00 92.61 22 A 1 ATOM 153 C CG1 . VAL A 1 22 ? 12.914 6.732 1.331 1.00 87.56 22 A 1 ATOM 154 C CG2 . VAL A 1 22 ? 11.291 5.805 -0.308 1.00 88.47 22 A 1 ATOM 155 N N . ALA A 1 23 ? 13.705 3.368 2.743 1.00 94.62 23 A 1 ATOM 156 C CA . ALA A 1 23 ? 14.580 3.084 3.882 1.00 94.59 23 A 1 ATOM 157 C C . ALA A 1 23 ? 15.757 2.194 3.474 1.00 95.11 23 A 1 ATOM 158 O O . ALA A 1 23 ? 16.843 2.299 4.046 1.00 93.87 23 A 1 ATOM 159 C CB . ALA A 1 23 ? 13.773 2.423 5.000 1.00 93.61 23 A 1 ATOM 160 N N . LEU A 1 24 ? 15.528 1.317 2.494 1.00 94.38 24 A 1 ATOM 161 C CA . LEU A 1 24 ? 16.573 0.421 1.998 1.00 93.71 24 A 1 ATOM 162 C C . LEU A 1 24 ? 17.465 1.101 0.960 1.00 94.14 24 A 1 ATOM 163 O O . LEU A 1 24 ? 18.560 0.609 0.672 1.00 93.01 24 A 1 ATOM 164 C CB . LEU A 1 24 ? 15.928 -0.841 1.395 1.00 91.92 24 A 1 ATOM 165 C CG . LEU A 1 24 ? 15.841 -2.054 2.336 1.00 85.95 24 A 1 ATOM 166 C CD1 . LEU A 1 24 ? 17.228 -2.568 2.669 1.00 80.56 24 A 1 ATOM 167 C CD2 . LEU A 1 24 ? 15.080 -1.726 3.605 1.00 78.54 24 A 1 ATOM 168 N N . ALA A 1 25 ? 16.987 2.212 0.396 1.00 91.15 25 A 1 ATOM 169 C CA . ALA A 1 25 ? 17.737 2.953 -0.621 1.00 89.61 25 A 1 ATOM 170 C C . ALA A 1 25 ? 18.862 3.768 0.018 1.00 86.77 25 A 1 ATOM 171 O O . ALA A 1 25 ? 19.945 3.873 -0.588 1.00 83.13 25 A 1 ATOM 172 C CB . ALA A 1 25 ? 16.792 3.860 -1.409 1.00 84.57 25 A 1 ATOM 173 O OXT . ALA A 1 25 ? 18.661 4.314 1.113 1.00 75.29 25 A 1 #