# 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_spkb41496 # _entry.id spkb41496 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "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 GLY 2 1 n ARG 3 1 n PHE 4 1 n ILE 5 1 n PHE 6 1 n ILE 7 1 n SER 8 1 n PHE 9 1 n GLY 10 1 n LEU 11 1 n LEU 12 1 n VAL 13 1 n VAL 14 1 n PHE 15 1 n LEU 16 1 n SER 17 1 n LEU 18 1 n SER 19 1 n GLY 20 1 n THR 21 1 n GLU 22 1 n ALA 23 # _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 23:46:19)" _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 91.67 _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 82.74 1 1 A GLY 2 2 95.20 1 2 A ARG 3 2 83.60 1 3 A PHE 4 2 92.88 1 4 A ILE 5 2 94.00 1 5 A PHE 6 2 93.25 1 6 A ILE 7 2 95.81 1 7 A SER 8 2 95.19 1 8 A PHE 9 2 93.46 1 9 A GLY 10 2 97.34 1 10 A LEU 11 2 94.91 1 11 A LEU 12 2 94.39 1 12 A VAL 13 2 96.92 1 13 A VAL 14 2 96.81 1 14 A PHE 15 2 93.38 1 15 A LEU 16 2 94.41 1 16 A SER 17 2 94.57 1 17 A LEU 18 2 94.30 1 18 A SER 19 2 92.88 1 19 A GLY 20 2 93.11 1 20 A THR 21 2 89.05 1 21 A GLU 22 2 77.94 1 22 A ALA 23 2 79.90 1 23 # _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 ARG . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n THR . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? 3.436 1.186 19.352 1.00 90.53 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.842 1.749 18.054 1.00 92.04 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.332 0.893 16.891 1.00 92.46 1 A 1 ATOM 4 O O . MET A 1 1 ? 4.067 0.609 15.948 1.00 86.50 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.369 1.840 17.980 1.00 84.90 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.936 2.780 19.024 1.00 78.55 1 A 1 ATOM 7 S SD . MET A 1 1 ? 7.736 2.796 19.002 1.00 73.95 1 A 1 ATOM 8 C CE . MET A 1 1 ? 8.050 4.036 20.243 1.00 62.99 1 A 1 ATOM 9 N N . GLY A 1 2 ? 2.085 0.479 16.977 1.00 95.62 2 A 1 ATOM 10 C CA . GLY A 1 2 ? 1.513 -0.372 15.932 1.00 95.70 2 A 1 ATOM 11 C C . GLY A 1 2 ? 0.888 0.420 14.796 1.00 95.83 2 A 1 ATOM 12 O O . GLY A 1 2 ? 0.579 -0.132 13.743 1.00 93.66 2 A 1 ATOM 13 N N . ARG A 1 3 ? 0.704 1.729 15.006 1.00 95.53 3 A 1 ATOM 14 C CA . ARG A 1 3 ? 0.093 2.578 13.983 1.00 96.14 3 A 1 ATOM 15 C C . ARG A 1 3 ? 0.977 2.688 12.740 1.00 96.55 3 A 1 ATOM 16 O O . ARG A 1 3 ? 0.480 2.914 11.639 1.00 94.98 3 A 1 ATOM 17 C CB . ARG A 1 3 ? -0.191 3.969 14.557 1.00 93.94 3 A 1 ATOM 18 C CG . ARG A 1 3 ? -0.927 4.850 13.565 1.00 84.70 3 A 1 ATOM 19 C CD . ARG A 1 3 ? -1.322 6.171 14.187 1.00 82.64 3 A 1 ATOM 20 N NE . ARG A 1 3 ? -2.419 6.003 15.151 1.00 74.32 3 A 1 ATOM 21 C CZ . ARG A 1 3 ? -3.015 7.015 15.765 1.00 71.52 3 A 1 ATOM 22 N NH1 . ARG A 1 3 ? -2.628 8.256 15.539 1.00 64.71 3 A 1 ATOM 23 N NH2 . ARG A 1 3 ? -4.003 6.788 16.612 1.00 64.54 3 A 1 ATOM 24 N N . PHE A 1 4 ? 2.269 2.523 12.922 1.00 96.73 4 A 1 ATOM 25 C CA . PHE A 1 4 ? 3.211 2.594 11.803 1.00 97.35 4 A 1 ATOM 26 C C . PHE A 1 4 ? 2.854 1.580 10.724 1.00 97.87 4 A 1 ATOM 27 O O . PHE A 1 4 ? 2.932 1.868 9.529 1.00 97.39 4 A 1 ATOM 28 C CB . PHE A 1 4 ? 4.630 2.339 12.305 1.00 96.76 4 A 1 ATOM 29 C CG . PHE A 1 4 ? 5.651 2.419 11.205 1.00 93.36 4 A 1 ATOM 30 C CD1 . PHE A 1 4 ? 6.069 3.647 10.719 1.00 89.13 4 A 1 ATOM 31 C CD2 . PHE A 1 4 ? 6.179 1.260 10.655 1.00 89.30 4 A 1 ATOM 32 C CE1 . PHE A 1 4 ? 7.008 3.726 9.701 1.00 87.61 4 A 1 ATOM 33 C CE2 . PHE A 1 4 ? 7.116 1.330 9.629 1.00 88.52 4 A 1 ATOM 34 C CZ . PHE A 1 4 ? 7.533 2.564 9.153 1.00 87.65 4 A 1 ATOM 35 N N . ILE A 1 5 ? 2.452 0.390 11.138 1.00 96.86 5 A 1 ATOM 36 C CA . ILE A 1 5 ? 2.077 -0.668 10.201 1.00 96.90 5 A 1 ATOM 37 C C . ILE A 1 5 ? 0.853 -0.255 9.391 1.00 97.35 5 A 1 ATOM 38 O O . ILE A 1 5 ? 0.769 -0.521 8.191 1.00 97.06 5 A 1 ATOM 39 C CB . ILE A 1 5 ? 1.792 -1.976 10.955 1.00 96.50 5 A 1 ATOM 40 C CG1 . ILE A 1 5 ? 3.028 -2.410 11.747 1.00 93.24 5 A 1 ATOM 41 C CG2 . ILE A 1 5 ? 1.383 -3.068 9.971 1.00 91.55 5 A 1 ATOM 42 C CD1 . ILE A 1 5 ? 2.737 -3.552 12.705 1.00 82.58 5 A 1 ATOM 43 N N . PHE A 1 6 ? -0.087 0.403 10.048 1.00 96.86 6 A 1 ATOM 44 C CA . PHE A 1 6 ? -1.310 0.849 9.384 1.00 97.11 6 A 1 ATOM 45 C C . PHE A 1 6 ? -0.998 1.867 8.296 1.00 97.52 6 A 1 ATOM 46 O O . PHE A 1 6 ? -1.566 1.823 7.205 1.00 97.14 6 A 1 ATOM 47 C CB . PHE A 1 6 ? -2.261 1.463 10.407 1.00 96.70 6 A 1 ATOM 48 C CG . PHE A 1 6 ? -2.819 0.442 11.366 1.00 92.97 6 A 1 ATOM 49 C CD1 . PHE A 1 6 ? -2.150 0.133 12.535 1.00 89.85 6 A 1 ATOM 50 C CD2 . PHE A 1 6 ? -4.012 -0.204 11.079 1.00 90.22 6 A 1 ATOM 51 C CE1 . PHE A 1 6 ? -2.660 -0.813 13.409 1.00 88.84 6 A 1 ATOM 52 C CE2 . PHE A 1 6 ? -4.528 -1.147 11.952 1.00 89.15 6 A 1 ATOM 53 C CZ . PHE A 1 6 ? -3.854 -1.453 13.118 1.00 89.39 6 A 1 ATOM 54 N N . ILE A 1 7 ? -0.102 2.779 8.596 1.00 97.91 7 A 1 ATOM 55 C CA . ILE A 1 7 ? 0.280 3.810 7.631 1.00 97.89 7 A 1 ATOM 56 C C . ILE A 1 7 ? 0.952 3.175 6.418 1.00 98.01 7 A 1 ATOM 57 O O . ILE A 1 7 ? 0.626 3.493 5.272 1.00 97.79 7 A 1 ATOM 58 C CB . ILE A 1 7 ? 1.222 4.833 8.281 1.00 97.81 7 A 1 ATOM 59 C CG1 . ILE A 1 7 ? 0.517 5.528 9.449 1.00 95.58 7 A 1 ATOM 60 C CG2 . ILE A 1 7 ? 1.673 5.861 7.245 1.00 94.76 7 A 1 ATOM 61 C CD1 . ILE A 1 7 ? 1.459 6.346 10.312 1.00 86.72 7 A 1 ATOM 62 N N . SER A 1 8 ? 1.879 2.280 6.678 1.00 96.83 8 A 1 ATOM 63 C CA . SER A 1 8 ? 2.602 1.601 5.605 1.00 96.92 8 A 1 ATOM 64 C C . SER A 1 8 ? 1.654 0.750 4.765 1.00 96.87 8 A 1 ATOM 65 O O . SER A 1 8 ? 1.717 0.756 3.536 1.00 96.60 8 A 1 ATOM 66 C CB . SER A 1 8 ? 3.709 0.728 6.189 1.00 96.60 8 A 1 ATOM 67 O OG . SER A 1 8 ? 4.460 0.135 5.153 1.00 87.31 8 A 1 ATOM 68 N N . PHE A 1 9 ? 0.770 0.031 5.434 1.00 96.72 9 A 1 ATOM 69 C CA . PHE A 1 9 ? -0.192 -0.830 4.750 1.00 96.53 9 A 1 ATOM 70 C C . PHE A 1 9 ? -1.133 -0.007 3.881 1.00 97.14 9 A 1 ATOM 71 O O . PHE A 1 9 ? -1.410 -0.365 2.736 1.00 96.76 9 A 1 ATOM 72 C CB . PHE A 1 9 ? -0.987 -1.627 5.785 1.00 96.00 9 A 1 ATOM 73 C CG . PHE A 1 9 ? -1.866 -2.667 5.152 1.00 94.08 9 A 1 ATOM 74 C CD1 . PHE A 1 9 ? -1.327 -3.860 4.697 1.00 91.22 9 A 1 ATOM 75 C CD2 . PHE A 1 9 ? -3.224 -2.444 5.013 1.00 91.34 9 A 1 ATOM 76 C CE1 . PHE A 1 9 ? -2.132 -4.821 4.108 1.00 89.43 9 A 1 ATOM 77 C CE2 . PHE A 1 9 ? -4.037 -3.403 4.418 1.00 89.09 9 A 1 ATOM 78 C CZ . PHE A 1 9 ? -3.493 -4.591 3.964 1.00 89.75 9 A 1 ATOM 79 N N . GLY A 1 10 ? -1.623 1.099 4.430 1.00 97.05 10 A 1 ATOM 80 C CA . GLY A 1 10 ? -2.524 1.971 3.682 1.00 97.32 10 A 1 ATOM 81 C C . GLY A 1 10 ? -1.878 2.485 2.409 1.00 97.66 10 A 1 ATOM 82 O O . GLY A 1 10 ? -2.511 2.539 1.351 1.00 97.34 10 A 1 ATOM 83 N N . LEU A 1 11 ? -0.627 2.859 2.510 1.00 97.57 11 A 1 ATOM 84 C CA . LEU A 1 11 ? 0.112 3.360 1.352 1.00 97.74 11 A 1 ATOM 85 C C . LEU A 1 11 ? 0.247 2.275 0.287 1.00 97.80 11 A 1 ATOM 86 O O . LEU A 1 11 ? 0.086 2.538 -0.905 1.00 97.51 11 A 1 ATOM 87 C CB . LEU A 1 11 ? 1.500 3.829 1.791 1.00 97.62 11 A 1 ATOM 88 C CG . LEU A 1 11 ? 2.282 4.524 0.677 1.00 92.37 11 A 1 ATOM 89 C CD1 . LEU A 1 11 ? 1.659 5.875 0.352 1.00 89.02 11 A 1 ATOM 90 C CD2 . LEU A 1 11 ? 3.735 4.704 1.091 1.00 89.65 11 A 1 ATOM 91 N N . LEU A 1 12 ? 0.534 1.059 0.719 1.00 96.98 12 A 1 ATOM 92 C CA . LEU A 1 12 ? 0.689 -0.066 -0.201 1.00 96.86 12 A 1 ATOM 93 C C . LEU A 1 12 ? -0.615 -0.368 -0.930 1.00 97.26 12 A 1 ATOM 94 O O . LEU A 1 12 ? -0.609 -0.676 -2.121 1.00 97.10 12 A 1 ATOM 95 C CB . LEU A 1 12 ? 1.149 -1.303 0.575 1.00 96.43 12 A 1 ATOM 96 C CG . LEU A 1 12 ? 2.613 -1.253 0.992 1.00 92.63 12 A 1 ATOM 97 C CD1 . LEU A 1 12 ? 2.910 -2.337 2.018 1.00 89.03 12 A 1 ATOM 98 C CD2 . LEU A 1 12 ? 3.509 -1.428 -0.230 1.00 88.83 12 A 1 ATOM 99 N N . VAL A 1 13 ? -1.719 -0.275 -0.222 1.00 97.61 13 A 1 ATOM 100 C CA . VAL A 1 13 ? -3.030 -0.535 -0.815 1.00 97.62 13 A 1 ATOM 101 C C . VAL A 1 13 ? -3.298 0.432 -1.961 1.00 97.66 13 A 1 ATOM 102 O O . VAL A 1 13 ? -3.728 0.030 -3.044 1.00 97.29 13 A 1 ATOM 103 C CB . VAL A 1 13 ? -4.137 -0.417 0.241 1.00 97.21 13 A 1 ATOM 104 C CG1 . VAL A 1 13 ? -5.512 -0.544 -0.405 1.00 95.58 13 A 1 ATOM 105 C CG2 . VAL A 1 13 ? -3.959 -1.488 1.302 1.00 95.46 13 A 1 ATOM 106 N N . VAL A 1 14 ? -3.049 1.704 -1.721 1.00 97.56 14 A 1 ATOM 107 C CA . VAL A 1 14 ? -3.261 2.725 -2.749 1.00 97.58 14 A 1 ATOM 108 C C . VAL A 1 14 ? -2.317 2.495 -3.927 1.00 97.59 14 A 1 ATOM 109 O O . VAL A 1 14 ? -2.718 2.594 -5.088 1.00 97.16 14 A 1 ATOM 110 C CB . VAL A 1 14 ? -3.045 4.131 -2.170 1.00 97.21 14 A 1 ATOM 111 C CG1 . VAL A 1 14 ? -3.198 5.191 -3.256 1.00 95.45 14 A 1 ATOM 112 C CG2 . VAL A 1 14 ? -4.031 4.388 -1.042 1.00 95.11 14 A 1 ATOM 113 N N . PHE A 1 15 ? -1.078 2.192 -3.619 1.00 96.82 15 A 1 ATOM 114 C CA . PHE A 1 15 ? -0.077 1.947 -4.655 1.00 96.51 15 A 1 ATOM 115 C C . PHE A 1 15 ? -0.475 0.765 -5.529 1.00 96.66 15 A 1 ATOM 116 O O . PHE A 1 15 ? -0.431 0.841 -6.756 1.00 96.10 15 A 1 ATOM 117 C CB . PHE A 1 15 ? 1.277 1.683 -4.004 1.00 96.22 15 A 1 ATOM 118 C CG . PHE A 1 15 ? 2.370 1.484 -5.018 1.00 93.96 15 A 1 ATOM 119 C CD1 . PHE A 1 15 ? 2.921 2.573 -5.679 1.00 89.87 15 A 1 ATOM 120 C CD2 . PHE A 1 15 ? 2.840 0.212 -5.304 1.00 90.60 15 A 1 ATOM 121 C CE1 . PHE A 1 15 ? 3.928 2.393 -6.614 1.00 89.74 15 A 1 ATOM 122 C CE2 . PHE A 1 15 ? 3.844 0.027 -6.245 1.00 89.77 15 A 1 ATOM 123 C CZ . PHE A 1 15 ? 4.390 1.118 -6.902 1.00 90.96 15 A 1 ATOM 124 N N . LEU A 1 16 ? -0.871 -0.328 -4.901 1.00 97.40 16 A 1 ATOM 125 C CA . LEU A 1 16 ? -1.277 -1.527 -5.633 1.00 96.98 16 A 1 ATOM 126 C C . LEU A 1 16 ? -2.539 -1.270 -6.448 1.00 97.09 16 A 1 ATOM 127 O O . LEU A 1 16 ? -2.685 -1.783 -7.556 1.00 96.47 16 A 1 ATOM 128 C CB . LEU A 1 16 ? -1.515 -2.670 -4.645 1.00 96.55 16 A 1 ATOM 129 C CG . LEU A 1 16 ? -0.231 -3.204 -4.014 1.00 92.79 16 A 1 ATOM 130 C CD1 . LEU A 1 16 ? -0.565 -4.111 -2.839 1.00 89.05 16 A 1 ATOM 131 C CD2 . LEU A 1 16 ? 0.589 -3.966 -5.051 1.00 88.92 16 A 1 ATOM 132 N N . SER A 1 17 ? -3.440 -0.479 -5.906 1.00 96.97 17 A 1 ATOM 133 C CA . SER A 1 17 ? -4.686 -0.150 -6.592 1.00 96.74 17 A 1 ATOM 134 C C . SER A 1 17 ? -4.402 0.587 -7.898 1.00 96.67 17 A 1 ATOM 135 O O . SER A 1 17 ? -5.019 0.310 -8.928 1.00 94.62 17 A 1 ATOM 136 C CB . SER A 1 17 ? -5.569 0.711 -5.694 1.00 95.88 17 A 1 ATOM 137 O OG . SER A 1 17 ? -6.796 0.985 -6.333 1.00 86.56 17 A 1 ATOM 138 N N . LEU A 1 18 ? -3.476 1.529 -7.847 1.00 97.33 18 A 1 ATOM 139 C CA . LEU A 1 18 ? -3.116 2.304 -9.033 1.00 97.07 18 A 1 ATOM 140 C C . LEU A 1 18 ? -2.310 1.467 -10.015 1.00 96.96 18 A 1 ATOM 141 O O . LEU A 1 18 ? -2.513 1.552 -11.228 1.00 96.05 18 A 1 ATOM 142 C CB . LEU A 1 18 ? -2.310 3.533 -8.615 1.00 96.60 18 A 1 ATOM 143 C CG . LEU A 1 18 ? -3.124 4.567 -7.844 1.00 93.28 18 A 1 ATOM 144 C CD1 . LEU A 1 18 ? -2.209 5.596 -7.202 1.00 89.12 18 A 1 ATOM 145 C CD2 . LEU A 1 18 ? -4.116 5.261 -8.773 1.00 88.03 18 A 1 ATOM 146 N N . SER A 1 19 ? -1.403 0.661 -9.492 1.00 96.62 19 A 1 ATOM 147 C CA . SER A 1 19 ? -0.553 -0.182 -10.327 1.00 96.19 19 A 1 ATOM 148 C C . SER A 1 19 ? -1.336 -1.345 -10.919 1.00 95.82 19 A 1 ATOM 149 O O . SER A 1 19 ? -1.109 -1.749 -12.058 1.00 91.91 19 A 1 ATOM 150 C CB . SER A 1 19 ? 0.624 -0.711 -9.511 1.00 94.23 19 A 1 ATOM 151 O OG . SER A 1 19 ? 1.510 -1.424 -10.342 1.00 82.49 19 A 1 ATOM 152 N N . GLY A 1 20 ? -2.279 -1.883 -10.145 1.00 94.39 20 A 1 ATOM 153 C CA . GLY A 1 20 ? -3.093 -3.006 -10.604 1.00 93.84 20 A 1 ATOM 154 C C . GLY A 1 20 ? -2.319 -4.306 -10.632 1.00 93.66 20 A 1 ATOM 155 O O . GLY A 1 20 ? -2.649 -5.218 -11.389 1.00 90.57 20 A 1 ATOM 156 N N . THR A 1 21 ? -1.296 -4.397 -9.804 1.00 93.97 21 A 1 ATOM 157 C CA . THR A 1 21 ? -0.470 -5.605 -9.746 1.00 93.64 21 A 1 ATOM 158 C C . THR A 1 21 ? -1.155 -6.714 -8.968 1.00 93.20 21 A 1 ATOM 159 O O . THR A 1 21 ? -1.141 -7.873 -9.377 1.00 89.01 21 A 1 ATOM 160 C CB . THR A 1 21 ? 0.885 -5.299 -9.098 1.00 91.01 21 A 1 ATOM 161 O OG1 . THR A 1 21 ? 0.684 -4.569 -7.893 1.00 82.96 21 A 1 ATOM 162 C CG2 . THR A 1 21 ? 1.754 -4.501 -10.043 1.00 79.53 21 A 1 ATOM 163 N N . GLU A 1 22 ? -1.748 -6.346 -7.839 1.00 89.52 22 A 1 ATOM 164 C CA . GLU A 1 22 ? -2.431 -7.318 -6.987 1.00 87.97 22 A 1 ATOM 165 C C . GLU A 1 22 ? -3.923 -7.001 -6.901 1.00 86.55 22 A 1 ATOM 166 O O . GLU A 1 22 ? -4.566 -7.241 -5.888 1.00 79.94 22 A 1 ATOM 167 C CB . GLU A 1 22 ? -1.799 -7.321 -5.595 1.00 83.02 22 A 1 ATOM 168 C CG . GLU A 1 22 ? -2.121 -8.567 -4.817 1.00 74.60 22 A 1 ATOM 169 C CD . GLU A 1 22 ? -1.377 -8.619 -3.498 1.00 70.79 22 A 1 ATOM 170 O OE1 . GLU A 1 22 ? -1.887 -8.070 -2.515 1.00 63.26 22 A 1 ATOM 171 O OE2 . GLU A 1 22 ? -0.289 -9.197 -3.465 1.00 65.85 22 A 1 ATOM 172 N N . ALA A 1 23 ? -4.474 -6.456 -7.973 1.00 87.07 23 A 1 ATOM 173 C CA . ALA A 1 23 ? -5.892 -6.095 -7.999 1.00 86.05 23 A 1 ATOM 174 C C . ALA A 1 23 ? -6.754 -7.345 -8.169 1.00 81.78 23 A 1 ATOM 175 O O . ALA A 1 23 ? -7.796 -7.447 -7.510 1.00 75.31 23 A 1 ATOM 176 C CB . ALA A 1 23 ? -6.158 -5.113 -9.130 1.00 78.77 23 A 1 ATOM 177 O OXT . ALA A 1 23 ? -6.392 -8.212 -8.948 1.00 70.41 23 A 1 #