# 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_spkb09537 # _entry.id spkb09537 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-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" "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 LEU 2 1 n ALA 3 1 n PHE 4 1 n ILE 5 1 n ARG 6 1 n PHE 7 1 n LEU 8 1 n PHE 9 1 n ALA 10 1 n GLY 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n VAL 15 1 n ILE 16 1 n SER 17 1 n HIS 18 1 n ALA 19 1 n PHE 20 1 n ALA 21 # _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 06:03:15)" _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 93.72 _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 87.06 1 1 A LEU 2 2 90.16 1 2 A ALA 3 2 96.93 1 3 A PHE 4 2 94.48 1 4 A ILE 5 2 96.25 1 5 A ARG 6 2 89.66 1 6 A PHE 7 2 94.57 1 7 A LEU 8 2 94.86 1 8 A PHE 9 2 94.13 1 9 A ALA 10 2 97.86 1 10 A GLY 11 2 98.06 1 11 A LEU 12 2 95.34 1 12 A LEU 13 2 95.52 1 13 A LEU 14 2 94.69 1 14 A VAL 15 2 97.15 1 15 A ILE 16 2 95.81 1 16 A SER 17 2 96.86 1 17 A HIS 18 2 92.93 1 18 A ALA 19 2 97.42 1 19 A PHE 20 2 90.17 1 20 A ALA 21 2 86.07 1 21 # _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 LEU . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n HIS . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n PHE . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -1.473 3.810 -15.473 1.00 93.37 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.625 2.743 -14.896 1.00 94.11 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.100 3.138 -13.518 1.00 94.93 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.029 2.291 -12.636 1.00 93.45 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.552 2.447 -15.832 1.00 88.50 1 A 1 ATOM 6 C CG . MET A 1 1 ? 0.170 1.446 -16.904 1.00 81.33 1 A 1 ATOM 7 S SD . MET A 1 1 ? 1.447 1.278 -18.144 1.00 79.84 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.989 -0.298 -18.852 1.00 70.91 1 A 1 ATOM 9 N N . LEU A 1 2 ? 0.182 4.418 -13.345 1.00 91.66 2 A 1 ATOM 10 C CA . LEU A 1 2 ? 0.665 4.904 -12.052 1.00 94.98 2 A 1 ATOM 11 C C . LEU A 1 2 ? -0.371 4.661 -10.959 1.00 96.70 2 A 1 ATOM 12 O O . LEU A 1 2 ? -0.024 4.359 -9.817 1.00 95.80 2 A 1 ATOM 13 C CB . LEU A 1 2 ? 0.995 6.398 -12.145 1.00 92.96 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -0.220 7.299 -12.378 1.00 86.12 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -0.066 8.585 -11.582 1.00 83.08 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -0.384 7.615 -13.848 1.00 80.00 2 A 1 ATOM 17 N N . ALA A 1 3 ? -1.642 4.791 -11.322 1.00 96.17 3 A 1 ATOM 18 C CA . ALA A 1 3 ? -2.730 4.579 -10.370 1.00 97.28 3 A 1 ATOM 19 C C . ALA A 1 3 ? -2.751 3.133 -9.881 1.00 97.84 3 A 1 ATOM 20 O O . ALA A 1 3 ? -2.996 2.867 -8.704 1.00 97.23 3 A 1 ATOM 21 C CB . ALA A 1 3 ? -4.063 4.940 -11.017 1.00 96.14 3 A 1 ATOM 22 N N . PHE A 1 4 ? -2.481 2.208 -10.791 1.00 96.98 4 A 1 ATOM 23 C CA . PHE A 1 4 ? -2.453 0.783 -10.461 1.00 97.54 4 A 1 ATOM 24 C C . PHE A 1 4 ? -1.340 0.487 -9.456 1.00 98.10 4 A 1 ATOM 25 O O . PHE A 1 4 ? -1.544 -0.234 -8.479 1.00 97.81 4 A 1 ATOM 26 C CB . PHE A 1 4 ? -2.245 -0.030 -11.738 1.00 96.95 4 A 1 ATOM 27 C CG . PHE A 1 4 ? -2.516 -1.497 -11.536 1.00 95.57 4 A 1 ATOM 28 C CD1 . PHE A 1 4 ? -3.820 -1.963 -11.449 1.00 92.24 4 A 1 ATOM 29 C CD2 . PHE A 1 4 ? -1.470 -2.398 -11.436 1.00 92.35 4 A 1 ATOM 30 C CE1 . PHE A 1 4 ? -4.078 -3.314 -11.262 1.00 90.85 4 A 1 ATOM 31 C CE2 . PHE A 1 4 ? -1.721 -3.753 -11.245 1.00 90.36 4 A 1 ATOM 32 C CZ . PHE A 1 4 ? -3.027 -4.211 -11.157 1.00 90.55 4 A 1 ATOM 33 N N . ILE A 1 5 ? -0.169 1.047 -9.704 1.00 98.07 5 A 1 ATOM 34 C CA . ILE A 1 5 ? 0.978 0.854 -8.815 1.00 97.98 5 A 1 ATOM 35 C C . ILE A 1 5 ? 0.709 1.479 -7.452 1.00 98.09 5 A 1 ATOM 36 O O . ILE A 1 5 ? 1.009 0.895 -6.411 1.00 97.85 5 A 1 ATOM 37 C CB . ILE A 1 5 ? 2.247 1.469 -9.434 1.00 97.78 5 A 1 ATOM 38 C CG1 . ILE A 1 5 ? 2.527 0.863 -10.818 1.00 95.68 5 A 1 ATOM 39 C CG2 . ILE A 1 5 ? 3.442 1.255 -8.505 1.00 95.18 5 A 1 ATOM 40 C CD1 . ILE A 1 5 ? 2.860 -0.615 -10.763 1.00 89.35 5 A 1 ATOM 41 N N . ARG A 1 6 ? 0.159 2.687 -7.466 1.00 98.12 6 A 1 ATOM 42 C CA . ARG A 1 6 ? -0.154 3.414 -6.231 1.00 98.18 6 A 1 ATOM 43 C C . ARG A 1 6 ? -1.186 2.659 -5.405 1.00 98.19 6 A 1 ATOM 44 O O . ARG A 1 6 ? -1.051 2.542 -4.188 1.00 97.83 6 A 1 ATOM 45 C CB . ARG A 1 6 ? -0.680 4.809 -6.566 1.00 97.80 6 A 1 ATOM 46 C CG . ARG A 1 6 ? 0.260 5.899 -6.118 1.00 92.33 6 A 1 ATOM 47 C CD . ARG A 1 6 ? -0.507 7.015 -5.409 1.00 89.92 6 A 1 ATOM 48 N NE . ARG A 1 6 ? -0.308 6.959 -3.962 1.00 84.64 6 A 1 ATOM 49 C CZ . ARG A 1 6 ? -0.831 7.840 -3.108 1.00 81.31 6 A 1 ATOM 50 N NH1 . ARG A 1 6 ? -1.600 8.827 -3.536 1.00 73.57 6 A 1 ATOM 51 N NH2 . ARG A 1 6 ? -0.588 7.721 -1.813 1.00 74.42 6 A 1 ATOM 52 N N . PHE A 1 7 ? -2.207 2.147 -6.077 1.00 97.82 7 A 1 ATOM 53 C CA . PHE A 1 7 ? -3.270 1.406 -5.405 1.00 97.66 7 A 1 ATOM 54 C C . PHE A 1 7 ? -2.723 0.116 -4.796 1.00 97.93 7 A 1 ATOM 55 O O . PHE A 1 7 ? -3.048 -0.237 -3.662 1.00 97.30 7 A 1 ATOM 56 C CB . PHE A 1 7 ? -4.381 1.088 -6.406 1.00 97.26 7 A 1 ATOM 57 C CG . PHE A 1 7 ? -5.753 1.194 -5.793 1.00 95.29 7 A 1 ATOM 58 C CD1 . PHE A 1 7 ? -6.294 0.137 -5.078 1.00 92.35 7 A 1 ATOM 59 C CD2 . PHE A 1 7 ? -6.492 2.363 -5.932 1.00 92.50 7 A 1 ATOM 60 C CE1 . PHE A 1 7 ? -7.555 0.239 -4.507 1.00 90.69 7 A 1 ATOM 61 C CE2 . PHE A 1 7 ? -7.757 2.470 -5.366 1.00 90.56 7 A 1 ATOM 62 C CZ . PHE A 1 7 ? -8.289 1.407 -4.651 1.00 90.89 7 A 1 ATOM 63 N N . LEU A 1 8 ? -1.893 -0.571 -5.551 1.00 97.65 8 A 1 ATOM 64 C CA . LEU A 1 8 ? -1.284 -1.811 -5.078 1.00 97.65 8 A 1 ATOM 65 C C . LEU A 1 8 ? -0.384 -1.542 -3.874 1.00 97.90 8 A 1 ATOM 66 O O . LEU A 1 8 ? -0.416 -2.272 -2.882 1.00 97.79 8 A 1 ATOM 67 C CB . LEU A 1 8 ? -0.470 -2.458 -6.203 1.00 97.57 8 A 1 ATOM 68 C CG . LEU A 1 8 ? -0.524 -3.982 -6.185 1.00 92.17 8 A 1 ATOM 69 C CD1 . LEU A 1 8 ? -1.668 -4.481 -7.065 1.00 88.67 8 A 1 ATOM 70 C CD2 . LEU A 1 8 ? 0.789 -4.571 -6.647 1.00 89.46 8 A 1 ATOM 71 N N . PHE A 1 9 ? 0.408 -0.488 -3.972 1.00 97.73 9 A 1 ATOM 72 C CA . PHE A 1 9 ? 1.323 -0.107 -2.900 1.00 97.58 9 A 1 ATOM 73 C C . PHE A 1 9 ? 0.548 0.290 -1.648 1.00 97.81 9 A 1 ATOM 74 O O . PHE A 1 9 ? 0.926 -0.081 -0.536 1.00 97.49 9 A 1 ATOM 75 C CB . PHE A 1 9 ? 2.197 1.053 -3.366 1.00 97.20 9 A 1 ATOM 76 C CG . PHE A 1 9 ? 3.459 1.182 -2.556 1.00 94.70 9 A 1 ATOM 77 C CD1 . PHE A 1 9 ? 4.534 0.339 -2.783 1.00 91.07 9 A 1 ATOM 78 C CD2 . PHE A 1 9 ? 3.558 2.150 -1.567 1.00 91.75 9 A 1 ATOM 79 C CE1 . PHE A 1 9 ? 5.696 0.454 -2.036 1.00 90.08 9 A 1 ATOM 80 C CE2 . PHE A 1 9 ? 4.717 2.270 -0.809 1.00 89.62 9 A 1 ATOM 81 C CZ . PHE A 1 9 ? 5.789 1.421 -1.043 1.00 90.37 9 A 1 ATOM 82 N N . ALA A 1 10 ? -0.518 1.041 -1.830 1.00 98.10 10 A 1 ATOM 83 C CA . ALA A 1 10 ? -1.344 1.489 -0.709 1.00 97.99 10 A 1 ATOM 84 C C . ALA A 1 10 ? -1.982 0.303 0.006 1.00 98.13 10 A 1 ATOM 85 O O . ALA A 1 10 ? -2.006 0.252 1.236 1.00 97.49 10 A 1 ATOM 86 C CB . ALA A 1 10 ? -2.422 2.444 -1.209 1.00 97.58 10 A 1 ATOM 87 N N . GLY A 1 11 ? -2.490 -0.639 -0.774 1.00 98.07 11 A 1 ATOM 88 C CA . GLY A 1 11 ? -3.117 -1.829 -0.203 1.00 97.95 11 A 1 ATOM 89 C C . GLY A 1 11 ? -2.119 -2.691 0.545 1.00 98.24 11 A 1 ATOM 90 O O . GLY A 1 11 ? -2.383 -3.142 1.660 1.00 97.98 11 A 1 ATOM 91 N N . LEU A 1 12 ? -0.966 -2.907 -0.073 1.00 98.00 12 A 1 ATOM 92 C CA . LEU A 1 12 ? 0.089 -3.717 0.537 1.00 98.01 12 A 1 ATOM 93 C C . LEU A 1 12 ? 0.607 -3.058 1.808 1.00 98.27 12 A 1 ATOM 94 O O . LEU A 1 12 ? 0.814 -3.726 2.822 1.00 98.03 12 A 1 ATOM 95 C CB . LEU A 1 12 ? 1.244 -3.901 -0.452 1.00 97.77 12 A 1 ATOM 96 C CG . LEU A 1 12 ? 1.750 -5.337 -0.527 1.00 92.63 12 A 1 ATOM 97 C CD1 . LEU A 1 12 ? 1.194 -6.035 -1.758 1.00 89.50 12 A 1 ATOM 98 C CD2 . LEU A 1 12 ? 3.266 -5.367 -0.539 1.00 90.54 12 A 1 ATOM 99 N N . LEU A 1 13 ? 0.819 -1.755 1.750 1.00 97.76 13 A 1 ATOM 100 C CA . LEU A 1 13 ? 1.315 -0.998 2.900 1.00 97.62 13 A 1 ATOM 101 C C . LEU A 1 13 ? 0.344 -1.097 4.068 1.00 97.85 13 A 1 ATOM 102 O O . LEU A 1 13 ? 0.755 -1.243 5.218 1.00 97.65 13 A 1 ATOM 103 C CB . LEU A 1 13 ? 1.516 0.468 2.511 1.00 97.37 13 A 1 ATOM 104 C CG . LEU A 1 13 ? 2.507 1.201 3.406 1.00 94.28 13 A 1 ATOM 105 C CD1 . LEU A 1 13 ? 3.760 1.562 2.630 1.00 90.87 13 A 1 ATOM 106 C CD2 . LEU A 1 13 ? 1.876 2.454 3.989 1.00 90.77 13 A 1 ATOM 107 N N . LEU A 1 14 ? -0.934 -1.019 3.773 1.00 97.70 14 A 1 ATOM 108 C CA . LEU A 1 14 ? -1.968 -1.102 4.801 1.00 97.51 14 A 1 ATOM 109 C C . LEU A 1 14 ? -1.948 -2.471 5.474 1.00 97.90 14 A 1 ATOM 110 O O . LEU A 1 14 ? -2.005 -2.571 6.701 1.00 97.51 14 A 1 ATOM 111 C CB . LEU A 1 14 ? -3.341 -0.843 4.176 1.00 97.13 14 A 1 ATOM 112 C CG . LEU A 1 14 ? -4.391 -0.399 5.190 1.00 91.96 14 A 1 ATOM 113 C CD1 . LEU A 1 14 ? -4.884 1.003 4.864 1.00 88.74 14 A 1 ATOM 114 C CD2 . LEU A 1 14 ? -5.556 -1.370 5.213 1.00 89.09 14 A 1 ATOM 115 N N . VAL A 1 15 ? -1.860 -3.515 4.670 1.00 98.04 15 A 1 ATOM 116 C CA . VAL A 1 15 ? -1.829 -4.883 5.188 1.00 97.94 15 A 1 ATOM 117 C C . VAL A 1 15 ? -0.583 -5.108 6.037 1.00 98.10 15 A 1 ATOM 118 O O . VAL A 1 15 ? -0.656 -5.692 7.124 1.00 97.80 15 A 1 ATOM 119 C CB . VAL A 1 15 ? -1.868 -5.898 4.036 1.00 97.40 15 A 1 ATOM 120 C CG1 . VAL A 1 15 ? -1.752 -7.317 4.569 1.00 95.24 15 A 1 ATOM 121 C CG2 . VAL A 1 15 ? -3.153 -5.745 3.241 1.00 95.54 15 A 1 ATOM 122 N N . ILE A 1 16 ? 0.547 -4.640 5.541 1.00 97.99 16 A 1 ATOM 123 C CA . ILE A 1 16 ? 1.811 -4.789 6.260 1.00 97.74 16 A 1 ATOM 124 C C . ILE A 1 16 ? 1.772 -4.011 7.572 1.00 97.78 16 A 1 ATOM 125 O O . ILE A 1 16 ? 2.223 -4.502 8.609 1.00 97.51 16 A 1 ATOM 126 C CB . ILE A 1 16 ? 2.985 -4.304 5.390 1.00 97.37 16 A 1 ATOM 127 C CG1 . ILE A 1 16 ? 3.157 -5.224 4.178 1.00 95.08 16 A 1 ATOM 128 C CG2 . ILE A 1 16 ? 4.273 -4.278 6.209 1.00 94.31 16 A 1 ATOM 129 C CD1 . ILE A 1 16 ? 4.006 -4.610 3.088 1.00 88.67 16 A 1 ATOM 130 N N . SER A 1 17 ? 1.243 -2.805 7.525 1.00 98.29 17 A 1 ATOM 131 C CA . SER A 1 17 ? 1.137 -1.960 8.715 1.00 98.22 17 A 1 ATOM 132 C C . SER A 1 17 ? 0.252 -2.621 9.765 1.00 98.28 17 A 1 ATOM 133 O O . SER A 1 17 ? 0.552 -2.583 10.958 1.00 97.83 17 A 1 ATOM 134 C CB . SER A 1 17 ? 0.567 -0.595 8.336 1.00 97.71 17 A 1 ATOM 135 O OG . SER A 1 17 ? 0.644 0.291 9.423 1.00 90.81 17 A 1 ATOM 136 N N . HIS A 1 18 ? -0.820 -3.239 9.326 1.00 97.79 18 A 1 ATOM 137 C CA . HIS A 1 18 ? -1.749 -3.912 10.233 1.00 97.50 18 A 1 ATOM 138 C C . HIS A 1 18 ? -1.085 -5.131 10.868 1.00 97.82 18 A 1 ATOM 139 O O . HIS A 1 18 ? -1.283 -5.417 12.050 1.00 97.26 18 A 1 ATOM 140 C CB . HIS A 1 18 ? -3.003 -4.338 9.468 1.00 96.84 18 A 1 ATOM 141 C CG . HIS A 1 18 ? -4.196 -4.505 10.363 1.00 94.15 18 A 1 ATOM 142 N ND1 . HIS A 1 18 ? -4.240 -5.391 11.411 1.00 85.93 18 A 1 ATOM 143 C CD2 . HIS A 1 18 ? -5.403 -3.880 10.345 1.00 86.37 18 A 1 ATOM 144 C CE1 . HIS A 1 18 ? -5.424 -5.302 12.000 1.00 87.51 18 A 1 ATOM 145 N NE2 . HIS A 1 18 ? -6.155 -4.395 11.368 1.00 88.17 18 A 1 ATOM 146 N N . ALA A 1 19 ? -0.297 -5.845 10.091 1.00 97.81 19 A 1 ATOM 147 C CA . ALA A 1 19 ? 0.405 -7.028 10.583 1.00 97.69 19 A 1 ATOM 148 C C . ALA A 1 19 ? 1.527 -6.643 11.543 1.00 97.69 19 A 1 ATOM 149 O O . ALA A 1 19 ? 1.805 -7.362 12.503 1.00 96.73 19 A 1 ATOM 150 C CB . ALA A 1 19 ? 0.967 -7.821 9.408 1.00 97.18 19 A 1 ATOM 151 N N . PHE A 1 20 ? 2.170 -5.520 11.260 1.00 96.19 20 A 1 ATOM 152 C CA . PHE A 1 20 ? 3.272 -5.040 12.089 1.00 95.12 20 A 1 ATOM 153 C C . PHE A 1 20 ? 2.762 -4.480 13.413 1.00 95.21 20 A 1 ATOM 154 O O . PHE A 1 20 ? 3.406 -4.637 14.450 1.00 92.56 20 A 1 ATOM 155 C CB . PHE A 1 20 ? 4.059 -3.965 11.338 1.00 93.26 20 A 1 ATOM 156 C CG . PHE A 1 20 ? 5.409 -3.706 11.947 1.00 90.21 20 A 1 ATOM 157 C CD1 . PHE A 1 20 ? 6.430 -4.630 11.813 1.00 86.86 20 A 1 ATOM 158 C CD2 . PHE A 1 20 ? 5.652 -2.536 12.650 1.00 86.93 20 A 1 ATOM 159 C CE1 . PHE A 1 20 ? 7.679 -4.399 12.370 1.00 85.84 20 A 1 ATOM 160 C CE2 . PHE A 1 20 ? 6.901 -2.291 13.216 1.00 84.98 20 A 1 ATOM 161 C CZ . PHE A 1 20 ? 7.919 -3.227 13.074 1.00 84.75 20 A 1 ATOM 162 N N . ALA A 1 21 ? 1.636 -3.832 13.374 1.00 93.05 21 A 1 ATOM 163 C CA . ALA A 1 21 ? 1.044 -3.223 14.565 1.00 90.68 21 A 1 ATOM 164 C C . ALA A 1 21 ? -0.093 -4.094 15.094 1.00 87.68 21 A 1 ATOM 165 O O . ALA A 1 21 ? 0.049 -4.643 16.209 1.00 81.76 21 A 1 ATOM 166 C CB . ALA A 1 21 ? 0.548 -1.816 14.240 1.00 85.44 21 A 1 ATOM 167 O OXT . ALA A 1 21 ? -1.118 -4.221 14.398 1.00 77.81 21 A 1 #