# 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_spkb24448 # _entry.id spkb24448 # 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 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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "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 ILE 2 1 n LEU 3 1 n ARG 4 1 n ARG 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n ALA 9 1 n ALA 10 1 n GLY 11 1 n SER 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n ALA 16 1 n SER 17 1 n ALA 18 1 n PHE 19 1 n THR 20 1 n SER 21 1 n ALA 22 # _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 @ 2025-07-08 22:30:48)" _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 92.93 _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 86.21 1 1 A ILE 2 2 91.48 1 2 A LEU 3 2 93.58 1 3 A ARG 4 2 87.60 1 4 A ARG 5 2 87.20 1 5 A LEU 6 2 94.39 1 6 A LEU 7 2 95.42 1 7 A LEU 8 2 94.79 1 8 A ALA 9 2 97.81 1 9 A ALA 10 2 97.77 1 10 A GLY 11 2 98.00 1 11 A SER 12 2 96.65 1 12 A LEU 13 2 95.74 1 13 A LEU 14 2 95.95 1 14 A LEU 15 2 95.09 1 15 A ALA 16 2 97.77 1 16 A SER 17 2 95.19 1 17 A ALA 18 2 97.03 1 18 A PHE 19 2 92.03 1 19 A THR 20 2 91.45 1 20 A SER 21 2 89.30 1 21 A ALA 22 2 86.84 1 22 # _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 ILE . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n ALA . 22 A 22 # _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 ? 4.339 -13.548 -2.836 1.00 92.54 1 A 1 ATOM 2 C CA . MET A 1 1 ? 4.298 -13.475 -1.370 1.00 93.76 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.006 -12.811 -0.910 1.00 94.89 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.762 -11.645 -1.211 1.00 92.21 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.488 -12.689 -0.834 1.00 88.22 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.804 -13.382 -1.124 1.00 80.60 1 A 1 ATOM 7 S SD . MET A 1 1 ? 8.228 -12.462 -0.518 1.00 78.46 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.989 -12.622 1.253 1.00 69.01 1 A 1 ATOM 9 N N . ILE A 1 2 ? 2.195 -13.572 -0.203 1.00 94.15 2 A 1 ATOM 10 C CA . ILE A 1 2 ? 0.915 -13.065 0.287 1.00 95.10 2 A 1 ATOM 11 C C . ILE A 1 2 ? 1.123 -12.050 1.409 1.00 96.40 2 A 1 ATOM 12 O O . ILE A 1 2 ? 0.374 -11.077 1.530 1.00 95.18 2 A 1 ATOM 13 C CB . ILE A 1 2 ? 0.036 -14.218 0.781 1.00 93.61 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -0.225 -15.199 -0.368 1.00 88.33 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -1.282 -13.680 1.329 1.00 87.18 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -0.924 -16.464 0.083 1.00 81.89 2 A 1 ATOM 17 N N . LEU A 1 3 ? 2.149 -12.289 2.221 1.00 96.98 3 A 1 ATOM 18 C CA . LEU A 1 3 ? 2.434 -11.388 3.339 1.00 96.99 3 A 1 ATOM 19 C C . LEU A 1 3 ? 2.650 -9.964 2.852 1.00 97.43 3 A 1 ATOM 20 O O . LEU A 1 3 ? 2.174 -9.002 3.455 1.00 96.88 3 A 1 ATOM 21 C CB . LEU A 1 3 ? 3.670 -11.871 4.098 1.00 96.48 3 A 1 ATOM 22 C CG . LEU A 1 3 ? 3.472 -13.208 4.802 1.00 90.59 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? 4.789 -13.676 5.414 1.00 87.57 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? 2.405 -13.095 5.880 1.00 85.72 3 A 1 ATOM 25 N N . ARG A 1 4 ? 3.367 -9.831 1.739 1.00 97.70 4 A 1 ATOM 26 C CA . ARG A 1 4 ? 3.627 -8.518 1.159 1.00 97.70 4 A 1 ATOM 27 C C . ARG A 1 4 ? 2.331 -7.862 0.720 1.00 98.05 4 A 1 ATOM 28 O O . ARG A 1 4 ? 2.156 -6.654 0.860 1.00 97.70 4 A 1 ATOM 29 C CB . ARG A 1 4 ? 4.572 -8.629 -0.028 1.00 97.10 4 A 1 ATOM 30 C CG . ARG A 1 4 ? 4.912 -7.262 -0.611 1.00 89.37 4 A 1 ATOM 31 C CD . ARG A 1 4 ? 5.835 -7.366 -1.798 1.00 86.54 4 A 1 ATOM 32 N NE . ARG A 1 4 ? 6.142 -6.040 -2.346 1.00 79.93 4 A 1 ATOM 33 C CZ . ARG A 1 4 ? 5.350 -5.387 -3.183 1.00 77.79 4 A 1 ATOM 34 N NH1 . ARG A 1 4 ? 4.213 -5.917 -3.573 1.00 70.24 4 A 1 ATOM 35 N NH2 . ARG A 1 4 ? 5.700 -4.195 -3.623 1.00 71.47 4 A 1 ATOM 36 N N . ARG A 1 5 ? 1.429 -8.651 0.172 1.00 97.70 5 A 1 ATOM 37 C CA . ARG A 1 5 ? 0.145 -8.131 -0.289 1.00 97.76 5 A 1 ATOM 38 C C . ARG A 1 5 ? -0.673 -7.592 0.874 1.00 98.19 5 A 1 ATOM 39 O O . ARG A 1 5 ? -1.360 -6.581 0.733 1.00 97.76 5 A 1 ATOM 40 C CB . ARG A 1 5 ? -0.645 -9.218 -1.011 1.00 97.16 5 A 1 ATOM 41 C CG . ARG A 1 5 ? -0.012 -9.576 -2.345 1.00 89.85 5 A 1 ATOM 42 C CD . ARG A 1 5 ? -0.857 -10.586 -3.084 1.00 86.52 5 A 1 ATOM 43 N NE . ARG A 1 5 ? -0.312 -10.860 -4.415 1.00 80.16 5 A 1 ATOM 44 C CZ . ARG A 1 5 ? -0.864 -11.699 -5.282 1.00 75.69 5 A 1 ATOM 45 N NH1 . ARG A 1 5 ? -1.961 -12.356 -4.972 1.00 69.53 5 A 1 ATOM 46 N NH2 . ARG A 1 5 ? -0.310 -11.882 -6.470 1.00 68.90 5 A 1 ATOM 47 N N . LEU A 1 6 ? -0.581 -8.258 2.008 1.00 97.53 6 A 1 ATOM 48 C CA . LEU A 1 6 ? -1.304 -7.811 3.193 1.00 97.40 6 A 1 ATOM 49 C C . LEU A 1 6 ? -0.800 -6.447 3.636 1.00 97.79 6 A 1 ATOM 50 O O . LEU A 1 6 ? -1.584 -5.539 3.921 1.00 97.59 6 A 1 ATOM 51 C CB . LEU A 1 6 ? -1.128 -8.822 4.328 1.00 97.28 6 A 1 ATOM 52 C CG . LEU A 1 6 ? -1.752 -10.184 4.035 1.00 91.10 6 A 1 ATOM 53 C CD1 . LEU A 1 6 ? -1.424 -11.162 5.154 1.00 88.01 6 A 1 ATOM 54 C CD2 . LEU A 1 6 ? -3.257 -10.061 3.871 1.00 88.42 6 A 1 ATOM 55 N N . LEU A 1 7 ? 0.517 -6.308 3.669 1.00 97.79 7 A 1 ATOM 56 C CA . LEU A 1 7 ? 1.127 -5.044 4.055 1.00 97.75 7 A 1 ATOM 57 C C . LEU A 1 7 ? 0.881 -3.985 2.994 1.00 97.98 7 A 1 ATOM 58 O O . LEU A 1 7 ? 0.596 -2.824 3.302 1.00 97.86 7 A 1 ATOM 59 C CB . LEU A 1 7 ? 2.626 -5.233 4.266 1.00 97.67 7 A 1 ATOM 60 C CG . LEU A 1 7 ? 3.328 -3.987 4.798 1.00 92.97 7 A 1 ATOM 61 C CD1 . LEU A 1 7 ? 2.838 -3.651 6.200 1.00 90.64 7 A 1 ATOM 62 C CD2 . LEU A 1 7 ? 4.833 -4.191 4.809 1.00 90.67 7 A 1 ATOM 63 N N . LEU A 1 8 ? 0.986 -4.389 1.737 1.00 98.02 8 A 1 ATOM 64 C CA . LEU A 1 8 ? 0.776 -3.483 0.620 1.00 97.78 8 A 1 ATOM 65 C C . LEU A 1 8 ? -0.663 -3.002 0.572 1.00 97.93 8 A 1 ATOM 66 O O . LEU A 1 8 ? -0.931 -1.861 0.192 1.00 97.63 8 A 1 ATOM 67 C CB . LEU A 1 8 ? 1.131 -4.181 -0.689 1.00 97.45 8 A 1 ATOM 68 C CG . LEU A 1 8 ? 1.074 -3.268 -1.909 1.00 90.91 8 A 1 ATOM 69 C CD1 . LEU A 1 8 ? 2.121 -2.167 -1.802 1.00 89.13 8 A 1 ATOM 70 C CD2 . LEU A 1 8 ? 1.283 -4.067 -3.180 1.00 89.45 8 A 1 ATOM 71 N N . ALA A 1 9 ? -1.585 -3.864 0.955 1.00 98.06 9 A 1 ATOM 72 C CA . ALA A 1 9 ? -2.999 -3.508 0.974 1.00 97.90 9 A 1 ATOM 73 C C . ALA A 1 9 ? -3.239 -2.344 1.923 1.00 98.03 9 A 1 ATOM 74 O O . ALA A 1 9 ? -3.950 -1.393 1.593 1.00 97.56 9 A 1 ATOM 75 C CB . ALA A 1 9 ? -3.837 -4.710 1.396 1.00 97.52 9 A 1 ATOM 76 N N . ALA A 1 10 ? -2.630 -2.410 3.097 1.00 98.04 10 A 1 ATOM 77 C CA . ALA A 1 10 ? -2.752 -1.337 4.074 1.00 97.93 10 A 1 ATOM 78 C C . ALA A 1 10 ? -2.112 -0.062 3.545 1.00 98.00 10 A 1 ATOM 79 O O . ALA A 1 10 ? -2.641 1.035 3.726 1.00 97.34 10 A 1 ATOM 80 C CB . ALA A 1 10 ? -2.096 -1.751 5.386 1.00 97.52 10 A 1 ATOM 81 N N . GLY A 1 11 ? -0.973 -0.213 2.878 1.00 98.10 11 A 1 ATOM 82 C CA . GLY A 1 11 ? -0.290 0.931 2.291 1.00 97.87 11 A 1 ATOM 83 C C . GLY A 1 11 ? -1.121 1.587 1.207 1.00 98.12 11 A 1 ATOM 84 O O . GLY A 1 11 ? -1.132 2.811 1.078 1.00 97.92 11 A 1 ATOM 85 N N . SER A 1 12 ? -1.825 0.773 0.434 1.00 98.04 12 A 1 ATOM 86 C CA . SER A 1 12 ? -2.678 1.281 -0.635 1.00 97.95 12 A 1 ATOM 87 C C . SER A 1 12 ? -3.787 2.157 -0.074 1.00 98.14 12 A 1 ATOM 88 O O . SER A 1 12 ? -4.149 3.173 -0.669 1.00 97.69 12 A 1 ATOM 89 C CB . SER A 1 12 ? -3.286 0.125 -1.420 1.00 97.37 12 A 1 ATOM 90 O OG . SER A 1 12 ? -2.268 -0.632 -2.042 1.00 90.71 12 A 1 ATOM 91 N N . LEU A 1 13 ? -4.308 1.775 1.078 1.00 97.94 13 A 1 ATOM 92 C CA . LEU A 1 13 ? -5.353 2.552 1.729 1.00 97.83 13 A 1 ATOM 93 C C . LEU A 1 13 ? -4.820 3.917 2.129 1.00 98.04 13 A 1 ATOM 94 O O . LEU A 1 13 ? -5.498 4.934 1.967 1.00 97.63 13 A 1 ATOM 95 C CB . LEU A 1 13 ? -5.864 1.814 2.964 1.00 97.52 13 A 1 ATOM 96 C CG . LEU A 1 13 ? -6.598 0.518 2.640 1.00 94.67 13 A 1 ATOM 97 C CD1 . LEU A 1 13 ? -6.931 -0.228 3.920 1.00 91.29 13 A 1 ATOM 98 C CD2 . LEU A 1 13 ? -7.864 0.808 1.854 1.00 91.00 13 A 1 ATOM 99 N N . LEU A 1 14 ? -3.602 3.942 2.639 1.00 97.90 14 A 1 ATOM 100 C CA . LEU A 1 14 ? -2.964 5.186 3.036 1.00 97.72 14 A 1 ATOM 101 C C . LEU A 1 14 ? -2.734 6.074 1.825 1.00 97.93 14 A 1 ATOM 102 O O . LEU A 1 14 ? -2.937 7.287 1.891 1.00 97.64 14 A 1 ATOM 103 C CB . LEU A 1 14 ? -1.636 4.896 3.727 1.00 97.63 14 A 1 ATOM 104 C CG . LEU A 1 14 ? -1.787 4.173 5.061 1.00 95.03 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? -0.420 3.805 5.609 1.00 92.02 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? -2.544 5.033 6.059 1.00 91.73 14 A 1 ATOM 107 N N . LEU A 1 15 ? -2.329 5.472 0.722 1.00 97.89 15 A 1 ATOM 108 C CA . LEU A 1 15 ? -2.096 6.213 -0.507 1.00 97.62 15 A 1 ATOM 109 C C . LEU A 1 15 ? -3.386 6.819 -1.023 1.00 97.72 15 A 1 ATOM 110 O O . LEU A 1 15 ? -3.410 7.969 -1.469 1.00 97.33 15 A 1 ATOM 111 C CB . LEU A 1 15 ? -1.502 5.290 -1.565 1.00 97.23 15 A 1 ATOM 112 C CG . LEU A 1 15 ? -0.083 4.839 -1.261 1.00 93.04 15 A 1 ATOM 113 C CD1 . LEU A 1 15 ? 0.354 3.785 -2.264 1.00 89.96 15 A 1 ATOM 114 C CD2 . LEU A 1 15 ? 0.867 6.025 -1.293 1.00 89.92 15 A 1 ATOM 115 N N . ALA A 1 16 ? -4.462 6.056 -0.961 1.00 98.17 16 A 1 ATOM 116 C CA . ALA A 1 16 ? -5.761 6.538 -1.411 1.00 97.96 16 A 1 ATOM 117 C C . ALA A 1 16 ? -6.212 7.728 -0.577 1.00 98.03 16 A 1 ATOM 118 O O . ALA A 1 16 ? -6.726 8.715 -1.108 1.00 97.26 16 A 1 ATOM 119 C CB . ALA A 1 16 ? -6.789 5.418 -1.324 1.00 97.42 16 A 1 ATOM 120 N N . SER A 1 17 ? -6.013 7.640 0.732 1.00 98.12 17 A 1 ATOM 121 C CA . SER A 1 17 ? -6.388 8.718 1.637 1.00 97.75 17 A 1 ATOM 122 C C . SER A 1 17 ? -5.501 9.936 1.424 1.00 97.69 17 A 1 ATOM 123 O O . SER A 1 17 ? -5.981 11.070 1.383 1.00 96.39 17 A 1 ATOM 124 C CB . SER A 1 17 ? -6.285 8.256 3.084 1.00 96.88 17 A 1 ATOM 125 O OG . SER A 1 17 ? -6.689 9.281 3.955 1.00 84.28 17 A 1 ATOM 126 N N . ALA A 1 18 ? -4.199 9.703 1.285 1.00 97.53 18 A 1 ATOM 127 C CA . ALA A 1 18 ? -3.244 10.784 1.085 1.00 97.29 18 A 1 ATOM 128 C C . ALA A 1 18 ? -3.487 11.492 -0.239 1.00 97.40 18 A 1 ATOM 129 O O . ALA A 1 18 ? -3.412 12.717 -0.319 1.00 96.39 18 A 1 ATOM 130 C CB . ALA A 1 18 ? -1.822 10.247 1.134 1.00 96.52 18 A 1 ATOM 131 N N . PHE A 1 19 ? -3.786 10.725 -1.273 1.00 97.32 19 A 1 ATOM 132 C CA . PHE A 1 19 ? -4.035 11.292 -2.594 1.00 96.68 19 A 1 ATOM 133 C C . PHE A 1 19 ? -5.270 12.176 -2.581 1.00 96.86 19 A 1 ATOM 134 O O . PHE A 1 19 ? -5.324 13.199 -3.264 1.00 95.52 19 A 1 ATOM 135 C CB . PHE A 1 19 ? -4.210 10.179 -3.621 1.00 95.82 19 A 1 ATOM 136 C CG . PHE A 1 19 ? -4.285 10.693 -5.028 1.00 92.33 19 A 1 ATOM 137 C CD1 . PHE A 1 19 ? -3.138 11.081 -5.696 1.00 88.36 19 A 1 ATOM 138 C CD2 . PHE A 1 19 ? -5.500 10.794 -5.676 1.00 88.31 19 A 1 ATOM 139 C CE1 . PHE A 1 19 ? -3.201 11.558 -6.993 1.00 87.40 19 A 1 ATOM 140 C CE2 . PHE A 1 19 ? -5.572 11.275 -6.978 1.00 86.81 19 A 1 ATOM 141 C CZ . PHE A 1 19 ? -4.418 11.655 -7.632 1.00 86.89 19 A 1 ATOM 142 N N . THR A 1 20 ? -6.251 11.790 -1.809 1.00 96.06 20 A 1 ATOM 143 C CA . THR A 1 20 ? -7.477 12.576 -1.702 1.00 95.12 20 A 1 ATOM 144 C C . THR A 1 20 ? -7.248 13.829 -0.870 1.00 94.95 20 A 1 ATOM 145 O O . THR A 1 20 ? -7.765 14.902 -1.186 1.00 91.88 20 A 1 ATOM 146 C CB . THR A 1 20 ? -8.597 11.753 -1.067 1.00 93.08 20 A 1 ATOM 147 O OG1 . THR A 1 20 ? -8.832 10.587 -1.854 1.00 85.69 20 A 1 ATOM 148 C CG2 . THR A 1 20 ? -9.875 12.561 -0.991 1.00 83.39 20 A 1 ATOM 149 N N . SER A 1 21 ? -6.471 13.685 0.197 1.00 94.90 21 A 1 ATOM 150 C CA . SER A 1 21 ? -6.190 14.803 1.091 1.00 93.52 21 A 1 ATOM 151 C C . SER A 1 21 ? -5.226 15.805 0.460 1.00 92.69 21 A 1 ATOM 152 O O . SER A 1 21 ? -5.344 17.010 0.680 1.00 86.27 21 A 1 ATOM 153 C CB . SER A 1 21 ? -5.613 14.297 2.406 1.00 90.45 21 A 1 ATOM 154 O OG . SER A 1 21 ? -6.552 13.477 3.071 1.00 77.99 21 A 1 ATOM 155 N N . ALA A 1 22 ? -4.275 15.276 -0.323 1.00 93.61 22 A 1 ATOM 156 C CA . ALA A 1 22 ? -3.265 16.113 -0.953 1.00 91.08 22 A 1 ATOM 157 C C . ALA A 1 22 ? -3.139 15.772 -2.432 1.00 88.34 22 A 1 ATOM 158 O O . ALA A 1 22 ? -2.052 15.905 -3.000 1.00 82.62 22 A 1 ATOM 159 C CB . ALA A 1 22 ? -1.925 15.941 -0.248 1.00 86.72 22 A 1 ATOM 160 O OXT . ALA A 1 22 ? -4.139 15.364 -3.057 1.00 78.68 22 A 1 #