# 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_spkb19875 # _entry.id spkb19875 # 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" "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 SER 2 1 n PHE 3 1 n ARG 4 1 n ALA 5 1 n LEU 6 1 n SER 7 1 n VAL 8 1 n PHE 9 1 n SER 10 1 n LEU 11 1 n PHE 12 1 n LEU 13 1 n SER 14 1 n TYR 15 1 n LEU 16 1 n ILE 17 1 n LEU 18 1 n GLY 19 1 n SER 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 @ 2025-07-08 06:41:41)" _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 92.95 _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 78.57 1 1 A SER 2 2 89.74 1 2 A PHE 3 2 90.34 1 3 A ARG 4 2 87.11 1 4 A ALA 5 2 96.99 1 5 A LEU 6 2 94.39 1 6 A SER 7 2 96.48 1 7 A VAL 8 2 97.19 1 8 A PHE 9 2 96.01 1 9 A SER 10 2 96.48 1 10 A LEU 11 2 95.66 1 11 A PHE 12 2 96.28 1 12 A LEU 13 2 95.07 1 13 A SER 14 2 96.75 1 14 A TYR 15 2 94.90 1 15 A LEU 16 2 95.96 1 16 A ILE 17 2 96.73 1 17 A LEU 18 2 94.04 1 18 A GLY 19 2 94.61 1 19 A SER 20 2 87.19 1 20 A ALA 21 2 81.87 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 SER . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n TYR . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n SER . 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 ? -12.700 4.827 13.301 1.00 86.09 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.392 4.205 13.017 1.00 87.24 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.572 2.763 12.542 1.00 87.84 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.833 1.872 13.336 1.00 82.40 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.533 4.216 14.275 1.00 80.67 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.193 3.478 15.443 1.00 74.73 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.135 3.388 16.888 1.00 69.22 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.264 5.067 17.472 1.00 60.40 1 A 1 ATOM 9 N N . SER A 1 2 ? -11.429 2.553 11.274 1.00 90.65 2 A 1 ATOM 10 C CA . SER A 1 2 ? -11.579 1.212 10.709 1.00 93.51 2 A 1 ATOM 11 C C . SER A 1 2 ? -11.063 1.176 9.269 1.00 94.05 2 A 1 ATOM 12 O O . SER A 1 2 ? -11.637 0.520 8.407 1.00 91.55 2 A 1 ATOM 13 C CB . SER A 1 2 ? -13.045 0.787 10.758 1.00 89.69 2 A 1 ATOM 14 O OG . SER A 1 2 ? -13.160 -0.604 10.513 1.00 78.97 2 A 1 ATOM 15 N N . PHE A 1 3 ? -9.980 1.876 9.004 1.00 94.98 3 A 1 ATOM 16 C CA . PHE A 1 3 ? -9.401 1.944 7.664 1.00 96.12 3 A 1 ATOM 17 C C . PHE A 1 3 ? -7.907 1.615 7.707 1.00 97.19 3 A 1 ATOM 18 O O . PHE A 1 3 ? -7.104 2.209 6.983 1.00 96.46 3 A 1 ATOM 19 C CB . PHE A 1 3 ? -9.626 3.330 7.074 1.00 94.62 3 A 1 ATOM 20 C CG . PHE A 1 3 ? -9.201 4.432 8.010 1.00 89.23 3 A 1 ATOM 21 C CD1 . PHE A 1 3 ? -7.884 4.851 8.047 1.00 87.69 3 A 1 ATOM 22 C CD2 . PHE A 1 3 ? -10.123 5.033 8.856 1.00 85.82 3 A 1 ATOM 23 C CE1 . PHE A 1 3 ? -7.483 5.860 8.904 1.00 84.59 3 A 1 ATOM 24 C CE2 . PHE A 1 3 ? -9.731 6.046 9.725 1.00 84.57 3 A 1 ATOM 25 C CZ . PHE A 1 3 ? -8.409 6.455 9.743 1.00 82.47 3 A 1 ATOM 26 N N . ARG A 1 4 ? -7.549 0.687 8.566 1.00 96.08 4 A 1 ATOM 27 C CA . ARG A 1 4 ? -6.136 0.309 8.706 1.00 96.56 4 A 1 ATOM 28 C C . ARG A 1 4 ? -5.575 -0.143 7.355 1.00 97.43 4 A 1 ATOM 29 O O . ARG A 1 4 ? -4.441 0.167 7.012 1.00 96.99 4 A 1 ATOM 30 C CB . ARG A 1 4 ? -6.001 -0.819 9.730 1.00 95.06 4 A 1 ATOM 31 C CG . ARG A 1 4 ? -4.576 -1.311 9.864 1.00 88.12 4 A 1 ATOM 32 C CD . ARG A 1 4 ? -3.685 -0.253 10.510 1.00 85.35 4 A 1 ATOM 33 N NE . ARG A 1 4 ? -3.750 -0.310 11.974 1.00 80.34 4 A 1 ATOM 34 C CZ . ARG A 1 4 ? -3.130 -1.227 12.694 1.00 78.28 4 A 1 ATOM 35 N NH1 . ARG A 1 4 ? -2.405 -2.174 12.118 1.00 71.86 4 A 1 ATOM 36 N NH2 . ARG A 1 4 ? -3.243 -1.219 14.015 1.00 72.13 4 A 1 ATOM 37 N N . ALA A 1 5 ? -6.365 -0.884 6.594 1.00 96.36 5 A 1 ATOM 38 C CA . ALA A 1 5 ? -5.932 -1.367 5.283 1.00 97.21 5 A 1 ATOM 39 C C . ALA A 1 5 ? -5.584 -0.207 4.355 1.00 97.72 5 A 1 ATOM 40 O O . ALA A 1 5 ? -4.568 -0.237 3.664 1.00 97.29 5 A 1 ATOM 41 C CB . ALA A 1 5 ? -7.029 -2.226 4.664 1.00 96.39 5 A 1 ATOM 42 N N . LEU A 1 6 ? -6.422 0.818 4.340 1.00 97.77 6 A 1 ATOM 43 C CA . LEU A 1 6 ? -6.186 1.988 3.492 1.00 97.55 6 A 1 ATOM 44 C C . LEU A 1 6 ? -4.930 2.731 3.933 1.00 97.60 6 A 1 ATOM 45 O O . LEU A 1 6 ? -4.140 3.181 3.108 1.00 97.21 6 A 1 ATOM 46 C CB . LEU A 1 6 ? -7.389 2.925 3.550 1.00 97.24 6 A 1 ATOM 47 C CG . LEU A 1 6 ? -8.479 2.569 2.541 1.00 92.19 6 A 1 ATOM 48 C CD1 . LEU A 1 6 ? -9.058 1.198 2.838 1.00 87.99 6 A 1 ATOM 49 C CD2 . LEU A 1 6 ? -9.567 3.627 2.569 1.00 87.57 6 A 1 ATOM 50 N N . SER A 1 7 ? -4.750 2.858 5.232 1.00 98.03 7 A 1 ATOM 51 C CA . SER A 1 7 ? -3.588 3.555 5.781 1.00 98.10 7 A 1 ATOM 52 C C . SER A 1 7 ? -2.294 2.847 5.387 1.00 98.29 7 A 1 ATOM 53 O O . SER A 1 7 ? -1.318 3.486 4.996 1.00 97.95 7 A 1 ATOM 54 C CB . SER A 1 7 ? -3.695 3.626 7.301 1.00 97.53 7 A 1 ATOM 55 O OG . SER A 1 7 ? -2.643 4.396 7.820 1.00 88.97 7 A 1 ATOM 56 N N . VAL A 1 8 ? -2.295 1.534 5.483 1.00 98.14 8 A 1 ATOM 57 C CA . VAL A 1 8 ? -1.109 0.742 5.134 1.00 98.10 8 A 1 ATOM 58 C C . VAL A 1 8 ? -0.970 0.597 3.621 1.00 98.16 8 A 1 ATOM 59 O O . VAL A 1 8 ? 0.126 0.716 3.071 1.00 97.80 8 A 1 ATOM 60 C CB . VAL A 1 8 ? -1.188 -0.651 5.776 1.00 97.68 8 A 1 ATOM 61 C CG1 . VAL A 1 8 ? 0.031 -1.480 5.405 1.00 95.39 8 A 1 ATOM 62 C CG2 . VAL A 1 8 ? -1.293 -0.519 7.289 1.00 95.04 8 A 1 ATOM 63 N N . PHE A 1 9 ? -2.084 0.330 2.955 1.00 98.13 9 A 1 ATOM 64 C CA . PHE A 1 9 ? -2.077 0.162 1.498 1.00 97.95 9 A 1 ATOM 65 C C . PHE A 1 9 ? -1.568 1.425 0.807 1.00 98.05 9 A 1 ATOM 66 O O . PHE A 1 9 ? -0.777 1.356 -0.132 1.00 97.85 9 A 1 ATOM 67 C CB . PHE A 1 9 ? -3.492 -0.156 1.019 1.00 97.66 9 A 1 ATOM 68 C CG . PHE A 1 9 ? -3.520 -0.520 -0.443 1.00 96.39 9 A 1 ATOM 69 C CD1 . PHE A 1 9 ? -3.033 -1.745 -0.872 1.00 94.17 9 A 1 ATOM 70 C CD2 . PHE A 1 9 ? -4.033 0.368 -1.377 1.00 94.78 9 A 1 ATOM 71 C CE1 . PHE A 1 9 ? -3.050 -2.088 -2.215 1.00 93.71 9 A 1 ATOM 72 C CE2 . PHE A 1 9 ? -4.052 0.036 -2.730 1.00 93.47 9 A 1 ATOM 73 C CZ . PHE A 1 9 ? -3.559 -1.193 -3.150 1.00 93.95 9 A 1 ATOM 74 N N . SER A 1 10 ? -2.018 2.570 1.277 1.00 98.03 10 A 1 ATOM 75 C CA . SER A 1 10 ? -1.600 3.846 0.692 1.00 98.04 10 A 1 ATOM 76 C C . SER A 1 10 ? -0.086 4.018 0.801 1.00 98.18 10 A 1 ATOM 77 O O . SER A 1 10 ? 0.576 4.413 -0.157 1.00 97.76 10 A 1 ATOM 78 C CB . SER A 1 10 ? -2.298 5.001 1.402 1.00 97.63 10 A 1 ATOM 79 O OG . SER A 1 10 ? -1.965 6.220 0.780 1.00 89.23 10 A 1 ATOM 80 N N . LEU A 1 11 ? 0.452 3.706 1.960 1.00 98.04 11 A 1 ATOM 81 C CA . LEU A 1 11 ? 1.895 3.815 2.182 1.00 97.86 11 A 1 ATOM 82 C C . LEU A 1 11 ? 2.643 2.765 1.368 1.00 98.01 11 A 1 ATOM 83 O O . LEU A 1 11 ? 3.719 3.030 0.835 1.00 97.72 11 A 1 ATOM 84 C CB . LEU A 1 11 ? 2.199 3.629 3.668 1.00 97.61 11 A 1 ATOM 85 C CG . LEU A 1 11 ? 3.678 3.815 4.003 1.00 93.27 11 A 1 ATOM 86 C CD1 . LEU A 1 11 ? 4.101 5.256 3.740 1.00 91.01 11 A 1 ATOM 87 C CD2 . LEU A 1 11 ? 3.923 3.461 5.465 1.00 91.73 11 A 1 ATOM 88 N N . PHE A 1 12 ? 2.073 1.578 1.281 1.00 97.98 12 A 1 ATOM 89 C CA . PHE A 1 12 ? 2.681 0.483 0.524 1.00 97.89 12 A 1 ATOM 90 C C . PHE A 1 12 ? 2.872 0.874 -0.939 1.00 98.05 12 A 1 ATOM 91 O O . PHE A 1 12 ? 3.951 0.695 -1.505 1.00 97.87 12 A 1 ATOM 92 C CB . PHE A 1 12 ? 1.784 -0.751 0.620 1.00 97.68 12 A 1 ATOM 93 C CG . PHE A 1 12 ? 2.206 -1.841 -0.333 1.00 96.64 12 A 1 ATOM 94 C CD1 . PHE A 1 12 ? 3.431 -2.469 -0.181 1.00 94.63 12 A 1 ATOM 95 C CD2 . PHE A 1 12 ? 1.375 -2.218 -1.378 1.00 95.24 12 A 1 ATOM 96 C CE1 . PHE A 1 12 ? 3.827 -3.471 -1.060 1.00 94.20 12 A 1 ATOM 97 C CE2 . PHE A 1 12 ? 1.769 -3.218 -2.261 1.00 94.27 12 A 1 ATOM 98 C CZ . PHE A 1 12 ? 2.995 -3.845 -2.103 1.00 94.60 12 A 1 ATOM 99 N N . LEU A 1 13 ? 1.824 1.404 -1.542 1.00 97.66 13 A 1 ATOM 100 C CA . LEU A 1 13 ? 1.886 1.811 -2.945 1.00 97.58 13 A 1 ATOM 101 C C . LEU A 1 13 ? 2.938 2.900 -3.141 1.00 97.82 13 A 1 ATOM 102 O O . LEU A 1 13 ? 3.743 2.855 -4.068 1.00 97.76 13 A 1 ATOM 103 C CB . LEU A 1 13 ? 0.507 2.308 -3.403 1.00 97.16 13 A 1 ATOM 104 C CG . LEU A 1 13 ? -0.177 1.369 -4.389 1.00 92.04 13 A 1 ATOM 105 C CD1 . LEU A 1 13 ? 0.639 1.257 -5.662 1.00 90.13 13 A 1 ATOM 106 C CD2 . LEU A 1 13 ? -0.348 -0.004 -3.751 1.00 90.42 13 A 1 ATOM 107 N N . SER A 1 14 ? 2.940 3.881 -2.261 1.00 97.80 14 A 1 ATOM 108 C CA . SER A 1 14 ? 3.908 4.976 -2.340 1.00 97.84 14 A 1 ATOM 109 C C . SER A 1 14 ? 5.331 4.454 -2.151 1.00 97.98 14 A 1 ATOM 110 O O . SER A 1 14 ? 6.268 4.935 -2.779 1.00 97.19 14 A 1 ATOM 111 C CB . SER A 1 14 ? 3.593 6.015 -1.271 1.00 97.24 14 A 1 ATOM 112 O OG . SER A 1 14 ? 2.340 6.613 -1.523 1.00 92.47 14 A 1 ATOM 113 N N . TYR A 1 15 ? 5.473 3.460 -1.289 1.00 98.02 15 A 1 ATOM 114 C CA . TYR A 1 15 ? 6.790 2.882 -1.024 1.00 97.89 15 A 1 ATOM 115 C C . TYR A 1 15 ? 7.345 2.224 -2.282 1.00 98.03 15 A 1 ATOM 116 O O . TYR A 1 15 ? 8.537 2.325 -2.573 1.00 97.55 15 A 1 ATOM 117 C CB . TYR A 1 15 ? 6.674 1.852 0.100 1.00 97.57 15 A 1 ATOM 118 C CG . TYR A 1 15 ? 8.005 1.623 0.782 1.00 95.43 15 A 1 ATOM 119 C CD1 . TYR A 1 15 ? 8.986 0.843 0.184 1.00 92.63 15 A 1 ATOM 120 C CD2 . TYR A 1 15 ? 8.273 2.201 2.022 1.00 93.04 15 A 1 ATOM 121 C CE1 . TYR A 1 15 ? 10.212 0.646 0.808 1.00 91.80 15 A 1 ATOM 122 C CE2 . TYR A 1 15 ? 9.496 2.002 2.650 1.00 92.07 15 A 1 ATOM 123 C CZ . TYR A 1 15 ? 10.461 1.223 2.038 1.00 93.00 15 A 1 ATOM 124 O OH . TYR A 1 15 ? 11.674 1.019 2.657 1.00 91.83 15 A 1 ATOM 125 N N . LEU A 1 16 ? 6.485 1.563 -3.040 1.00 97.91 16 A 1 ATOM 126 C CA . LEU A 1 16 ? 6.909 0.899 -4.272 1.00 97.80 16 A 1 ATOM 127 C C . LEU A 1 16 ? 7.387 1.921 -5.297 1.00 97.99 16 A 1 ATOM 128 O O . LEU A 1 16 ? 8.375 1.702 -5.996 1.00 97.62 16 A 1 ATOM 129 C CB . LEU A 1 16 ? 5.740 0.098 -4.851 1.00 97.42 16 A 1 ATOM 130 C CG . LEU A 1 16 ? 5.347 -1.107 -4.000 1.00 94.91 16 A 1 ATOM 131 C CD1 . LEU A 1 16 ? 4.088 -1.750 -4.567 1.00 92.12 16 A 1 ATOM 132 C CD2 . LEU A 1 16 ? 6.479 -2.126 -3.958 1.00 91.88 16 A 1 ATOM 133 N N . ILE A 1 17 ? 6.691 3.030 -5.387 1.00 98.11 17 A 1 ATOM 134 C CA . ILE A 1 17 ? 7.045 4.085 -6.336 1.00 97.86 17 A 1 ATOM 135 C C . ILE A 1 17 ? 8.344 4.775 -5.925 1.00 97.84 17 A 1 ATOM 136 O O . ILE A 1 17 ? 9.263 4.930 -6.729 1.00 97.33 17 A 1 ATOM 137 C CB . ILE A 1 17 ? 5.912 5.117 -6.429 1.00 97.45 17 A 1 ATOM 138 C CG1 . ILE A 1 17 ? 4.623 4.437 -6.891 1.00 96.25 17 A 1 ATOM 139 C CG2 . ILE A 1 17 ? 6.306 6.223 -7.410 1.00 95.55 17 A 1 ATOM 140 C CD1 . ILE A 1 17 ? 3.406 5.328 -6.729 1.00 93.43 17 A 1 ATOM 141 N N . LEU A 1 18 ? 8.412 5.191 -4.676 1.00 97.41 18 A 1 ATOM 142 C CA . LEU A 1 18 ? 9.602 5.879 -4.169 1.00 96.92 18 A 1 ATOM 143 C C . LEU A 1 18 ? 10.707 4.890 -3.830 1.00 96.74 18 A 1 ATOM 144 O O . LEU A 1 18 ? 11.889 5.228 -3.896 1.00 95.07 18 A 1 ATOM 145 C CB . LEU A 1 18 ? 9.226 6.682 -2.921 1.00 96.01 18 A 1 ATOM 146 C CG . LEU A 1 18 ? 8.110 7.696 -3.165 1.00 93.23 18 A 1 ATOM 147 C CD1 . LEU A 1 18 ? 7.713 8.346 -1.847 1.00 89.41 18 A 1 ATOM 148 C CD2 . LEU A 1 18 ? 8.570 8.754 -4.156 1.00 87.51 18 A 1 ATOM 149 N N . GLY A 1 19 ? 10.329 3.675 -3.474 1.00 96.01 19 A 1 ATOM 150 C CA . GLY A 1 19 ? 11.298 2.642 -3.124 1.00 94.80 19 A 1 ATOM 151 C C . GLY A 1 19 ? 12.191 2.271 -4.291 1.00 94.57 19 A 1 ATOM 152 O O . GLY A 1 19 ? 13.254 1.685 -4.103 1.00 93.07 19 A 1 ATOM 153 N N . SER A 1 20 ? 11.778 2.616 -5.500 1.00 91.79 20 A 1 ATOM 154 C CA . SER A 1 20 ? 12.560 2.322 -6.706 1.00 91.14 20 A 1 ATOM 155 C C . SER A 1 20 ? 13.866 3.117 -6.719 1.00 89.37 20 A 1 ATOM 156 O O . SER A 1 20 ? 14.780 2.822 -7.488 1.00 84.91 20 A 1 ATOM 157 C CB . SER A 1 20 ? 11.745 2.655 -7.953 1.00 88.15 20 A 1 ATOM 158 O OG . SER A 1 20 ? 12.414 2.187 -9.106 1.00 77.76 20 A 1 ATOM 159 N N . ALA A 1 21 ? 13.972 4.131 -5.849 1.00 90.51 21 A 1 ATOM 160 C CA . ALA A 1 21 ? 15.169 4.981 -5.746 1.00 87.61 21 A 1 ATOM 161 C C . ALA A 1 21 ? 15.418 5.719 -7.064 1.00 83.37 21 A 1 ATOM 162 O O . ALA A 1 21 ? 14.674 6.669 -7.349 1.00 77.86 21 A 1 ATOM 163 C CB . ALA A 1 21 ? 16.378 4.124 -5.368 1.00 80.81 21 A 1 ATOM 164 O OXT . ALA A 1 21 ? 16.341 5.364 -7.782 1.00 71.08 21 A 1 #