# 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_spkb25897 # _entry.id spkb25897 # 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" "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" "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 LYS 2 1 n LEU 3 1 n THR 4 1 n THR 5 1 n HIS 6 1 n HIS 7 1 n LEU 8 1 n ARG 9 1 n THR 10 1 n GLY 11 1 n ALA 12 1 n ALA 13 1 n LEU 14 1 n LEU 15 1 n LEU 16 1 n ALA 17 1 n GLY 18 1 n ILE 19 1 n LEU 20 1 n LEU 21 1 n ALA 22 1 n GLY 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 15:13:58)" _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 92.09 _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 79.09 1 1 A LYS 2 2 84.47 1 2 A LEU 3 2 88.73 1 3 A THR 4 2 92.71 1 4 A THR 5 2 93.02 1 5 A HIS 6 2 88.39 1 6 A HIS 7 2 89.53 1 7 A LEU 8 2 93.81 1 8 A ARG 9 2 87.21 1 9 A THR 10 2 94.59 1 10 A GLY 11 2 96.91 1 11 A ALA 12 2 96.87 1 12 A ALA 13 2 97.44 1 13 A LEU 14 2 95.33 1 14 A LEU 15 2 95.12 1 15 A LEU 16 2 94.86 1 16 A ALA 17 2 97.53 1 17 A GLY 18 2 98.02 1 18 A ILE 19 2 96.46 1 19 A LEU 20 2 96.31 1 20 A LEU 21 2 95.22 1 21 A ALA 22 2 95.90 1 22 A GLY 23 2 85.78 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 LYS . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n HIS . 6 A 6 A 7 1 n HIS . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n GLY . 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 ? -12.982 -8.776 0.094 1.00 85.67 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.123 -7.824 0.825 1.00 87.28 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.865 -6.509 1.012 1.00 88.57 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.517 -6.028 0.086 1.00 82.24 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.808 -7.575 0.073 1.00 80.73 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.818 -6.722 0.843 1.00 75.79 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.233 -6.524 -0.007 1.00 70.35 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.549 -8.166 0.157 1.00 62.12 1 A 1 ATOM 9 N N . LYS A 1 2 ? -12.784 -5.918 2.202 1.00 91.60 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -13.459 -4.655 2.494 1.00 92.12 2 A 1 ATOM 11 C C . LYS A 1 2 ? -12.800 -3.507 1.724 1.00 93.26 2 A 1 ATOM 12 O O . LYS A 1 2 ? -11.596 -3.538 1.456 1.00 91.54 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -13.428 -4.369 3.998 1.00 88.95 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -14.235 -5.367 4.821 1.00 81.58 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -14.179 -5.019 6.305 1.00 81.01 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -14.995 -6.007 7.122 1.00 72.69 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -14.934 -5.693 8.579 1.00 67.46 2 A 1 ATOM 18 N N . LEU A 1 3 ? -13.584 -2.475 1.388 1.00 93.32 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -13.081 -1.315 0.652 1.00 93.83 3 A 1 ATOM 20 C C . LEU A 1 3 ? -11.977 -0.603 1.433 1.00 95.22 3 A 1 ATOM 21 O O . LEU A 1 3 ? -10.966 -0.195 0.861 1.00 93.52 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -14.224 -0.343 0.355 1.00 92.46 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -15.265 -0.866 -0.638 1.00 84.03 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -16.429 0.109 -0.736 1.00 80.20 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -14.647 -1.067 -2.016 1.00 77.26 3 A 1 ATOM 26 N N . THR A 1 4 ? -12.159 -0.472 2.758 1.00 95.24 4 A 1 ATOM 27 C CA . THR A 1 4 ? -11.168 0.177 3.620 1.00 95.68 4 A 1 ATOM 28 C C . THR A 1 4 ? -9.830 -0.557 3.565 1.00 96.20 4 A 1 ATOM 29 O O . THR A 1 4 ? -8.772 0.068 3.462 1.00 95.54 4 A 1 ATOM 30 C CB . THR A 1 4 ? -11.663 0.232 5.069 1.00 94.79 4 A 1 ATOM 31 O OG1 . THR A 1 4 ? -12.937 0.873 5.114 1.00 87.05 4 A 1 ATOM 32 C CG2 . THR A 1 4 ? -10.687 1.003 5.947 1.00 84.48 4 A 1 ATOM 33 N N . THR A 1 5 ? -9.864 -1.886 3.609 1.00 96.13 5 A 1 ATOM 34 C CA . THR A 1 5 ? -8.652 -2.705 3.541 1.00 96.28 5 A 1 ATOM 35 C C . THR A 1 5 ? -7.957 -2.522 2.195 1.00 96.56 5 A 1 ATOM 36 O O . THR A 1 5 ? -6.728 -2.440 2.123 1.00 95.66 5 A 1 ATOM 37 C CB . THR A 1 5 ? -8.982 -4.186 3.752 1.00 95.11 5 A 1 ATOM 38 O OG1 . THR A 1 5 ? -9.656 -4.350 5.001 1.00 87.22 5 A 1 ATOM 39 C CG2 . THR A 1 5 ? -7.715 -5.034 3.758 1.00 84.21 5 A 1 ATOM 40 N N . HIS A 1 6 ? -8.742 -2.439 1.108 1.00 96.09 6 A 1 ATOM 41 C CA . HIS A 1 6 ? -8.192 -2.223 -0.229 1.00 96.09 6 A 1 ATOM 42 C C . HIS A 1 6 ? -7.488 -0.871 -0.316 1.00 96.94 6 A 1 ATOM 43 O O . HIS A 1 6 ? -6.387 -0.772 -0.869 1.00 95.97 6 A 1 ATOM 44 C CB . HIS A 1 6 ? -9.301 -2.311 -1.276 1.00 94.89 6 A 1 ATOM 45 C CG . HIS A 1 6 ? -8.788 -2.147 -2.675 1.00 90.70 6 A 1 ATOM 46 N ND1 . HIS A 1 6 ? -8.031 -3.091 -3.324 1.00 76.81 6 A 1 ATOM 47 C CD2 . HIS A 1 6 ? -8.925 -1.108 -3.534 1.00 76.88 6 A 1 ATOM 48 C CE1 . HIS A 1 6 ? -7.730 -2.640 -4.533 1.00 78.70 6 A 1 ATOM 49 N NE2 . HIS A 1 6 ? -8.258 -1.432 -4.694 1.00 80.82 6 A 1 ATOM 50 N N . HIS A 1 7 ? -8.104 0.175 0.243 1.00 95.63 7 A 1 ATOM 51 C CA . HIS A 1 7 ? -7.509 1.508 0.234 1.00 96.15 7 A 1 ATOM 52 C C . HIS A 1 7 ? -6.203 1.537 1.029 1.00 97.00 7 A 1 ATOM 53 O O . HIS A 1 7 ? -5.225 2.153 0.602 1.00 96.25 7 A 1 ATOM 54 C CB . HIS A 1 7 ? -8.487 2.534 0.806 1.00 95.28 7 A 1 ATOM 55 C CG . HIS A 1 7 ? -9.652 2.812 -0.103 1.00 92.12 7 A 1 ATOM 56 N ND1 . HIS A 1 7 ? -9.521 3.270 -1.391 1.00 79.45 7 A 1 ATOM 57 C CD2 . HIS A 1 7 ? -10.984 2.697 0.124 1.00 78.88 7 A 1 ATOM 58 C CE1 . HIS A 1 7 ? -10.731 3.419 -1.917 1.00 81.32 7 A 1 ATOM 59 N NE2 . HIS A 1 7 ? -11.642 3.084 -1.019 1.00 83.18 7 A 1 ATOM 60 N N . LEU A 1 8 ? -6.165 0.855 2.179 1.00 97.06 8 A 1 ATOM 61 C CA . LEU A 1 8 ? -4.957 0.787 2.997 1.00 97.11 8 A 1 ATOM 62 C C . LEU A 1 8 ? -3.832 0.070 2.253 1.00 97.30 8 A 1 ATOM 63 O O . LEU A 1 8 ? -2.676 0.496 2.303 1.00 96.63 8 A 1 ATOM 64 C CB . LEU A 1 8 ? -5.250 0.075 4.321 1.00 96.93 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -6.122 0.873 5.293 1.00 92.51 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? -6.506 0.001 6.482 1.00 87.04 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -5.395 2.118 5.783 1.00 85.89 8 A 1 ATOM 68 N N . ARG A 1 9 ? -4.164 -1.015 1.544 1.00 96.99 9 A 1 ATOM 69 C CA . ARG A 1 9 ? -3.174 -1.773 0.779 1.00 97.03 9 A 1 ATOM 70 C C . ARG A 1 9 ? -2.617 -0.936 -0.364 1.00 97.40 9 A 1 ATOM 71 O O . ARG A 1 9 ? -1.411 -0.949 -0.621 1.00 96.76 9 A 1 ATOM 72 C CB . ARG A 1 9 ? -3.785 -3.071 0.251 1.00 96.22 9 A 1 ATOM 73 C CG . ARG A 1 9 ? -2.719 -4.005 -0.287 1.00 89.65 9 A 1 ATOM 74 C CD . ARG A 1 9 ? -3.304 -5.337 -0.729 1.00 86.47 9 A 1 ATOM 75 N NE . ARG A 1 9 ? -4.023 -5.213 -2.002 1.00 79.90 9 A 1 ATOM 76 C CZ . ARG A 1 9 ? -4.539 -6.243 -2.666 1.00 77.44 9 A 1 ATOM 77 N NH1 . ARG A 1 9 ? -4.454 -7.472 -2.195 1.00 70.98 9 A 1 ATOM 78 N NH2 . ARG A 1 9 ? -5.147 -6.039 -3.821 1.00 70.46 9 A 1 ATOM 79 N N . THR A 1 10 ? -3.481 -0.189 -1.042 1.00 97.05 10 A 1 ATOM 80 C CA . THR A 1 10 ? -3.062 0.688 -2.135 1.00 96.89 10 A 1 ATOM 81 C C . THR A 1 10 ? -2.119 1.774 -1.619 1.00 97.22 10 A 1 ATOM 82 O O . THR A 1 10 ? -1.097 2.066 -2.243 1.00 96.40 10 A 1 ATOM 83 C CB . THR A 1 10 ? -4.279 1.328 -2.812 1.00 96.00 10 A 1 ATOM 84 O OG1 . THR A 1 10 ? -5.132 0.297 -3.315 1.00 89.95 10 A 1 ATOM 85 C CG2 . THR A 1 10 ? -3.858 2.222 -3.967 1.00 88.61 10 A 1 ATOM 86 N N . GLY A 1 11 ? -2.452 2.359 -0.470 1.00 96.72 11 A 1 ATOM 87 C CA . GLY A 1 11 ? -1.600 3.375 0.139 1.00 96.56 11 A 1 ATOM 88 C C . GLY A 1 11 ? -0.237 2.821 0.522 1.00 97.32 11 A 1 ATOM 89 O O . GLY A 1 11 ? 0.791 3.456 0.284 1.00 97.05 11 A 1 ATOM 90 N N . ALA A 1 12 ? -0.219 1.618 1.113 1.00 96.91 12 A 1 ATOM 91 C CA . ALA A 1 12 ? 1.031 0.971 1.505 1.00 97.03 12 A 1 ATOM 92 C C . ALA A 1 12 ? 1.901 0.666 0.286 1.00 97.50 12 A 1 ATOM 93 O O . ALA A 1 12 ? 3.123 0.830 0.334 1.00 96.65 12 A 1 ATOM 94 C CB . ALA A 1 12 ? 0.731 -0.311 2.276 1.00 96.25 12 A 1 ATOM 95 N N . ALA A 1 13 ? 1.277 0.228 -0.812 1.00 97.53 13 A 1 ATOM 96 C CA . ALA A 1 13 ? 2.004 -0.062 -2.045 1.00 97.56 13 A 1 ATOM 97 C C . ALA A 1 13 ? 2.631 1.205 -2.626 1.00 97.89 13 A 1 ATOM 98 O O . ALA A 1 13 ? 3.761 1.173 -3.118 1.00 97.20 13 A 1 ATOM 99 C CB . ALA A 1 13 ? 1.060 -0.700 -3.065 1.00 97.02 13 A 1 ATOM 100 N N . LEU A 1 14 ? 1.907 2.325 -2.559 1.00 97.74 14 A 1 ATOM 101 C CA . LEU A 1 14 ? 2.418 3.603 -3.047 1.00 97.65 14 A 1 ATOM 102 C C . LEU A 1 14 ? 3.614 4.066 -2.219 1.00 98.01 14 A 1 ATOM 103 O O . LEU A 1 14 ? 4.607 4.553 -2.769 1.00 97.78 14 A 1 ATOM 104 C CB . LEU A 1 14 ? 1.307 4.653 -3.016 1.00 97.40 14 A 1 ATOM 105 C CG . LEU A 1 14 ? 1.700 6.010 -3.599 1.00 92.81 14 A 1 ATOM 106 C CD1 . LEU A 1 14 ? 2.082 5.889 -5.063 1.00 90.26 14 A 1 ATOM 107 C CD2 . LEU A 1 14 ? 0.553 6.999 -3.438 1.00 90.96 14 A 1 ATOM 108 N N . LEU A 1 15 ? 3.531 3.905 -0.893 1.00 97.42 15 A 1 ATOM 109 C CA . LEU A 1 15 ? 4.630 4.268 -0.004 1.00 97.30 15 A 1 ATOM 110 C C . LEU A 1 15 ? 5.863 3.415 -0.289 1.00 97.78 15 A 1 ATOM 111 O O . LEU A 1 15 ? 6.982 3.935 -0.350 1.00 97.71 15 A 1 ATOM 112 C CB . LEU A 1 15 ? 4.207 4.107 1.457 1.00 97.02 15 A 1 ATOM 113 C CG . LEU A 1 15 ? 3.195 5.148 1.950 1.00 92.36 15 A 1 ATOM 114 C CD1 . LEU A 1 15 ? 2.683 4.762 3.332 1.00 90.22 15 A 1 ATOM 115 C CD2 . LEU A 1 15 ? 3.821 6.537 1.996 1.00 91.15 15 A 1 ATOM 116 N N . LEU A 1 16 ? 5.662 2.110 -0.485 1.00 97.46 16 A 1 ATOM 117 C CA . LEU A 1 16 ? 6.759 1.198 -0.797 1.00 97.43 16 A 1 ATOM 118 C C . LEU A 1 16 ? 7.420 1.578 -2.116 1.00 98.03 16 A 1 ATOM 119 O O . LEU A 1 16 ? 8.651 1.589 -2.221 1.00 98.07 16 A 1 ATOM 120 C CB . LEU A 1 16 ? 6.245 -0.240 -0.851 1.00 96.90 16 A 1 ATOM 121 C CG . LEU A 1 16 ? 7.314 -1.292 -1.160 1.00 90.54 16 A 1 ATOM 122 C CD1 . LEU A 1 16 ? 8.412 -1.291 -0.106 1.00 89.74 16 A 1 ATOM 123 C CD2 . LEU A 1 16 ? 6.675 -2.668 -1.247 1.00 90.69 16 A 1 ATOM 124 N N . ALA A 1 17 ? 6.610 1.911 -3.131 1.00 97.57 17 A 1 ATOM 125 C CA . ALA A 1 17 ? 7.134 2.331 -4.428 1.00 97.59 17 A 1 ATOM 126 C C . ALA A 1 17 ? 7.974 3.601 -4.298 1.00 98.06 17 A 1 ATOM 127 O O . ALA A 1 17 ? 9.024 3.725 -4.932 1.00 97.49 17 A 1 ATOM 128 C CB . ALA A 1 17 ? 5.980 2.551 -5.404 1.00 96.96 17 A 1 ATOM 129 N N . GLY A 1 18 ? 7.522 4.541 -3.465 1.00 97.90 18 A 1 ATOM 130 C CA . GLY A 1 18 ? 8.268 5.773 -3.218 1.00 97.91 18 A 1 ATOM 131 C C . GLY A 1 18 ? 9.616 5.502 -2.571 1.00 98.23 18 A 1 ATOM 132 O O . GLY A 1 18 ? 10.628 6.095 -2.953 1.00 98.04 18 A 1 ATOM 133 N N . ILE A 1 19 ? 9.643 4.597 -1.590 1.00 98.06 19 A 1 ATOM 134 C CA . ILE A 1 19 ? 10.881 4.220 -0.901 1.00 97.94 19 A 1 ATOM 135 C C . ILE A 1 19 ? 11.851 3.551 -1.876 1.00 98.15 19 A 1 ATOM 136 O O . ILE A 1 19 ? 13.048 3.860 -1.883 1.00 97.76 19 A 1 ATOM 137 C CB . ILE A 1 19 ? 10.577 3.296 0.295 1.00 97.60 19 A 1 ATOM 138 C CG1 . ILE A 1 19 ? 9.805 4.074 1.375 1.00 95.67 19 A 1 ATOM 139 C CG2 . ILE A 1 19 ? 11.871 2.721 0.880 1.00 94.84 19 A 1 ATOM 140 C CD1 . ILE A 1 19 ? 9.186 3.187 2.441 1.00 91.67 19 A 1 ATOM 141 N N . LEU A 1 20 ? 11.342 2.646 -2.710 1.00 98.07 20 A 1 ATOM 142 C CA . LEU A 1 20 ? 12.177 1.955 -3.691 1.00 98.09 20 A 1 ATOM 143 C C . LEU A 1 20 ? 12.759 2.926 -4.713 1.00 98.30 20 A 1 ATOM 144 O O . LEU A 1 20 ? 13.911 2.779 -5.134 1.00 98.10 20 A 1 ATOM 145 C CB . LEU A 1 20 ? 11.359 0.872 -4.404 1.00 97.86 20 A 1 ATOM 146 C CG . LEU A 1 20 ? 11.013 -0.338 -3.535 1.00 95.32 20 A 1 ATOM 147 C CD1 . LEU A 1 20 ? 10.010 -1.232 -4.257 1.00 92.37 20 A 1 ATOM 148 C CD2 . LEU A 1 20 ? 12.261 -1.136 -3.186 1.00 92.39 20 A 1 ATOM 149 N N . LEU A 1 21 ? 11.971 3.933 -5.112 1.00 98.04 21 A 1 ATOM 150 C CA . LEU A 1 21 ? 12.425 4.940 -6.070 1.00 98.02 21 A 1 ATOM 151 C C . LEU A 1 21 ? 13.475 5.858 -5.457 1.00 98.19 21 A 1 ATOM 152 O O . LEU A 1 21 ? 14.431 6.261 -6.132 1.00 97.87 21 A 1 ATOM 153 C CB . LEU A 1 21 ? 11.227 5.753 -6.569 1.00 97.61 21 A 1 ATOM 154 C CG . LEU A 1 21 ? 11.561 6.800 -7.631 1.00 93.20 21 A 1 ATOM 155 C CD1 . LEU A 1 21 ? 12.107 6.146 -8.894 1.00 89.54 21 A 1 ATOM 156 C CD2 . LEU A 1 21 ? 10.324 7.620 -7.962 1.00 89.29 21 A 1 ATOM 157 N N . ALA A 1 22 ? 13.304 6.202 -4.173 1.00 96.82 22 A 1 ATOM 158 C CA . ALA A 1 22 ? 14.226 7.092 -3.471 1.00 96.44 22 A 1 ATOM 159 C C . ALA A 1 22 ? 15.497 6.382 -3.006 1.00 96.56 22 A 1 ATOM 160 O O . ALA A 1 22 ? 16.520 7.035 -2.769 1.00 94.62 22 A 1 ATOM 161 C CB . ALA A 1 22 ? 13.511 7.731 -2.276 1.00 95.07 22 A 1 ATOM 162 N N . GLY A 1 23 ? 15.443 5.052 -2.854 1.00 93.55 23 A 1 ATOM 163 C CA . GLY A 1 23 ? 16.571 4.270 -2.368 1.00 89.03 23 A 1 ATOM 164 C C . GLY A 1 23 ? 17.427 3.671 -3.468 1.00 84.15 23 A 1 ATOM 165 O O . GLY A 1 23 ? 17.137 3.849 -4.658 1.00 78.25 23 A 1 ATOM 166 O OXT . GLY A 1 23 ? 18.402 2.955 -3.139 1.00 83.92 23 A 1 #