# 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_spkb42534 # _entry.id spkb42534 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "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" "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 LYS 2 1 n LYS 3 1 n LYS 4 1 n ASN 5 1 n ILE 6 1 n ILE 7 1 n LEU 8 1 n ILE 9 1 n SER 10 1 n VAL 11 1 n LEU 12 1 n LEU 13 1 n GLY 14 1 n ALA 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n ILE 19 1 n THR 20 1 n GLY 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 @ 2025-07-10 07:25:18)" _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 93.33 _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 83.66 1 1 A LYS 2 2 87.80 1 2 A LYS 3 2 89.12 1 3 A LYS 4 2 89.87 1 4 A ASN 5 2 92.74 1 5 A ILE 6 2 95.45 1 6 A ILE 7 2 96.10 1 7 A LEU 8 2 94.66 1 8 A ILE 9 2 94.74 1 9 A SER 10 2 95.76 1 10 A VAL 11 2 97.52 1 11 A LEU 12 2 95.28 1 12 A LEU 13 2 95.01 1 13 A GLY 14 2 97.91 1 14 A ALA 15 2 98.15 1 15 A LEU 16 2 95.55 1 16 A LEU 17 2 95.20 1 17 A LEU 18 2 94.99 1 18 A ILE 19 2 95.77 1 19 A THR 20 2 93.23 1 20 A GLY 21 2 85.16 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 LYS . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n GLY . 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 ? -7.424 -8.357 5.952 1.00 89.47 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.015 -6.995 6.339 1.00 92.05 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.194 -6.043 6.257 1.00 92.51 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.100 -6.243 5.449 1.00 88.28 1 A 1 ATOM 5 C CB . MET A 1 1 ? -5.902 -6.457 5.430 1.00 86.34 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.596 -7.209 5.565 1.00 78.82 1 A 1 ATOM 7 S SD . MET A 1 1 ? -3.325 -6.537 4.471 1.00 73.90 1 A 1 ATOM 8 C CE . MET A 1 1 ? -1.924 -7.538 4.936 1.00 67.95 1 A 1 ATOM 9 N N . LYS A 1 2 ? -8.180 -5.003 7.082 1.00 95.52 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -9.217 -3.985 7.050 1.00 95.92 2 A 1 ATOM 11 C C . LYS A 1 2 ? -8.954 -3.026 5.887 1.00 96.27 2 A 1 ATOM 12 O O . LYS A 1 2 ? -7.815 -2.868 5.445 1.00 95.06 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -9.255 -3.221 8.370 1.00 94.00 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -9.636 -4.090 9.563 1.00 85.37 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -9.652 -3.281 10.848 1.00 83.27 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -10.040 -4.153 12.031 1.00 75.97 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -10.039 -3.390 13.303 1.00 68.85 2 A 1 ATOM 18 N N . LYS A 1 3 ? -10.020 -2.374 5.410 1.00 96.14 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -9.885 -1.428 4.300 1.00 96.86 3 A 1 ATOM 20 C C . LYS A 1 3 ? -8.927 -0.295 4.663 1.00 97.19 3 A 1 ATOM 21 O O . LYS A 1 3 ? -8.152 0.169 3.824 1.00 96.19 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -11.249 -0.859 3.921 1.00 95.47 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -12.246 -1.913 3.439 1.00 88.14 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -11.780 -2.586 2.159 1.00 84.85 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -12.806 -3.586 1.657 1.00 77.05 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -12.362 -4.282 0.425 1.00 70.16 3 A 1 ATOM 27 N N . LYS A 1 4 ? -8.980 0.144 5.927 1.00 96.60 4 A 1 ATOM 28 C CA . LYS A 1 4 ? -8.090 1.198 6.411 1.00 97.26 4 A 1 ATOM 29 C C . LYS A 1 4 ? -6.626 0.773 6.281 1.00 97.69 4 A 1 ATOM 30 O O . LYS A 1 4 ? -5.772 1.578 5.906 1.00 97.11 4 A 1 ATOM 31 C CB . LYS A 1 4 ? -8.415 1.538 7.863 1.00 96.65 4 A 1 ATOM 32 C CG . LYS A 1 4 ? -7.593 2.686 8.421 1.00 90.95 4 A 1 ATOM 33 C CD . LYS A 1 4 ? -8.037 3.050 9.832 1.00 85.35 4 A 1 ATOM 34 C CE . LYS A 1 4 ? -7.234 4.215 10.392 1.00 77.77 4 A 1 ATOM 35 N NZ . LYS A 1 4 ? -5.815 3.860 10.638 1.00 69.44 4 A 1 ATOM 36 N N . ASN A 1 5 ? -6.334 -0.492 6.584 1.00 96.32 5 A 1 ATOM 37 C CA . ASN A 1 5 ? -4.973 -1.014 6.482 1.00 97.12 5 A 1 ATOM 38 C C . ASN A 1 5 ? -4.497 -1.000 5.032 1.00 97.60 5 A 1 ATOM 39 O O . ASN A 1 5 ? -3.337 -0.699 4.753 1.00 97.48 5 A 1 ATOM 40 C CB . ASN A 1 5 ? -4.893 -2.437 7.041 1.00 96.47 5 A 1 ATOM 41 C CG . ASN A 1 5 ? -5.057 -2.472 8.546 1.00 91.46 5 A 1 ATOM 42 O OD1 . ASN A 1 5 ? -5.154 -1.443 9.205 1.00 81.41 5 A 1 ATOM 43 N ND2 . ASN A 1 5 ? -5.081 -3.671 9.108 1.00 84.07 5 A 1 ATOM 44 N N . ILE A 1 6 ? -5.394 -1.331 4.103 1.00 97.52 6 A 1 ATOM 45 C CA . ILE A 1 6 ? -5.061 -1.320 2.679 1.00 97.64 6 A 1 ATOM 46 C C . ILE A 1 6 ? -4.672 0.090 2.239 1.00 97.83 6 A 1 ATOM 47 O O . ILE A 1 6 ? -3.717 0.274 1.477 1.00 97.59 6 A 1 ATOM 48 C CB . ILE A 1 6 ? -6.236 -1.849 1.835 1.00 97.50 6 A 1 ATOM 49 C CG1 . ILE A 1 6 ? -6.498 -3.326 2.173 1.00 94.98 6 A 1 ATOM 50 C CG2 . ILE A 1 6 ? -5.947 -1.691 0.342 1.00 93.80 6 A 1 ATOM 51 C CD1 . ILE A 1 6 ? -7.775 -3.877 1.560 1.00 86.73 6 A 1 ATOM 52 N N . ILE A 1 7 ? -5.402 1.084 2.736 1.00 97.70 7 A 1 ATOM 53 C CA . ILE A 1 7 ? -5.101 2.479 2.418 1.00 97.73 7 A 1 ATOM 54 C C . ILE A 1 7 ? -3.714 2.849 2.940 1.00 97.71 7 A 1 ATOM 55 O O . ILE A 1 7 ? -2.909 3.448 2.219 1.00 97.50 7 A 1 ATOM 56 C CB . ILE A 1 7 ? -6.169 3.422 3.005 1.00 97.69 7 A 1 ATOM 57 C CG1 . ILE A 1 7 ? -7.525 3.164 2.330 1.00 95.98 7 A 1 ATOM 58 C CG2 . ILE A 1 7 ? -5.753 4.883 2.830 1.00 95.05 7 A 1 ATOM 59 C CD1 . ILE A 1 7 ? -8.693 3.851 3.017 1.00 89.45 7 A 1 ATOM 60 N N . LEU A 1 8 ? -3.419 2.480 4.192 1.00 97.48 8 A 1 ATOM 61 C CA . LEU A 1 8 ? -2.116 2.763 4.789 1.00 97.63 8 A 1 ATOM 62 C C . LEU A 1 8 ? -0.987 2.105 3.998 1.00 97.71 8 A 1 ATOM 63 O O . LEU A 1 8 ? 0.059 2.714 3.766 1.00 97.85 8 A 1 ATOM 64 C CB . LEU A 1 8 ? -2.075 2.281 6.242 1.00 97.69 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -2.397 3.356 7.284 1.00 92.92 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? -3.783 3.935 7.068 1.00 86.96 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -2.270 2.782 8.688 1.00 89.07 8 A 1 ATOM 68 N N . ILE A 1 9 ? -1.201 0.850 3.590 1.00 97.50 9 A 1 ATOM 69 C CA . ILE A 1 9 ? -0.197 0.115 2.822 1.00 97.37 9 A 1 ATOM 70 C C . ILE A 1 9 ? 0.041 0.789 1.474 1.00 97.41 9 A 1 ATOM 71 O O . ILE A 1 9 ? 1.188 0.942 1.044 1.00 97.33 9 A 1 ATOM 72 C CB . ILE A 1 9 ? -0.620 -1.356 2.633 1.00 97.28 9 A 1 ATOM 73 C CG1 . ILE A 1 9 ? -0.594 -2.087 3.982 1.00 94.40 9 A 1 ATOM 74 C CG2 . ILE A 1 9 ? 0.303 -2.064 1.638 1.00 92.61 9 A 1 ATOM 75 C CD1 . ILE A 1 9 ? -1.305 -3.433 3.963 1.00 84.03 9 A 1 ATOM 76 N N . SER A 1 10 ? -1.025 1.204 0.810 1.00 97.89 10 A 1 ATOM 77 C CA . SER A 1 10 ? -0.901 1.858 -0.489 1.00 97.76 10 A 1 ATOM 78 C C . SER A 1 10 ? -0.134 3.176 -0.377 1.00 97.92 10 A 1 ATOM 79 O O . SER A 1 10 ? 0.696 3.493 -1.232 1.00 97.58 10 A 1 ATOM 80 C CB . SER A 1 10 ? -2.278 2.101 -1.108 1.00 97.24 10 A 1 ATOM 81 O OG . SER A 1 10 ? -3.010 3.062 -0.389 1.00 86.17 10 A 1 ATOM 82 N N . VAL A 1 11 ? -0.400 3.932 0.690 1.00 98.16 11 A 1 ATOM 83 C CA . VAL A 1 11 ? 0.298 5.197 0.923 1.00 98.23 11 A 1 ATOM 84 C C . VAL A 1 11 ? 1.774 4.943 1.211 1.00 98.33 11 A 1 ATOM 85 O O . VAL A 1 11 ? 2.645 5.654 0.701 1.00 98.01 11 A 1 ATOM 86 C CB . VAL A 1 11 ? -0.345 5.981 2.083 1.00 97.98 11 A 1 ATOM 87 C CG1 . VAL A 1 11 ? 0.494 7.199 2.463 1.00 96.26 11 A 1 ATOM 88 C CG2 . VAL A 1 11 ? -1.749 6.427 1.694 1.00 95.64 11 A 1 ATOM 89 N N . LEU A 1 12 ? 2.052 3.925 2.021 1.00 98.17 12 A 1 ATOM 90 C CA . LEU A 1 12 ? 3.430 3.576 2.362 1.00 97.98 12 A 1 ATOM 91 C C . LEU A 1 12 ? 4.219 3.175 1.119 1.00 97.99 12 A 1 ATOM 92 O O . LEU A 1 12 ? 5.348 3.631 0.923 1.00 97.84 12 A 1 ATOM 93 C CB . LEU A 1 12 ? 3.446 2.438 3.386 1.00 97.79 12 A 1 ATOM 94 C CG . LEU A 1 12 ? 4.840 1.976 3.827 1.00 92.68 12 A 1 ATOM 95 C CD1 . LEU A 1 12 ? 5.610 3.117 4.475 1.00 88.92 12 A 1 ATOM 96 C CD2 . LEU A 1 12 ? 4.721 0.808 4.791 1.00 90.84 12 A 1 ATOM 97 N N . LEU A 1 13 ? 3.635 2.321 0.282 1.00 98.09 13 A 1 ATOM 98 C CA . LEU A 1 13 ? 4.296 1.881 -0.942 1.00 97.77 13 A 1 ATOM 99 C C . LEU A 1 13 ? 4.550 3.057 -1.881 1.00 97.86 13 A 1 ATOM 100 O O . LEU A 1 13 ? 5.632 3.172 -2.465 1.00 97.47 13 A 1 ATOM 101 C CB . LEU A 1 13 ? 3.450 0.817 -1.644 1.00 97.27 13 A 1 ATOM 102 C CG . LEU A 1 13 ? 3.386 -0.530 -0.920 1.00 93.48 13 A 1 ATOM 103 C CD1 . LEU A 1 13 ? 2.372 -1.438 -1.599 1.00 88.65 13 A 1 ATOM 104 C CD2 . LEU A 1 13 ? 4.754 -1.195 -0.893 1.00 89.51 13 A 1 ATOM 105 N N . GLY A 1 14 ? 3.564 3.936 -2.017 1.00 97.89 14 A 1 ATOM 106 C CA . GLY A 1 14 ? 3.716 5.119 -2.856 1.00 97.80 14 A 1 ATOM 107 C C . GLY A 1 14 ? 4.801 6.042 -2.331 1.00 98.13 14 A 1 ATOM 108 O O . GLY A 1 14 ? 5.622 6.551 -3.101 1.00 97.84 14 A 1 ATOM 109 N N . ALA A 1 15 ? 4.826 6.250 -1.016 1.00 98.26 15 A 1 ATOM 110 C CA . ALA A 1 15 ? 5.828 7.104 -0.385 1.00 98.32 15 A 1 ATOM 111 C C . ALA A 1 15 ? 7.231 6.536 -0.579 1.00 98.47 15 A 1 ATOM 112 O O . ALA A 1 15 ? 8.168 7.280 -0.872 1.00 97.79 15 A 1 ATOM 113 C CB . ALA A 1 15 ? 5.525 7.265 1.102 1.00 97.93 15 A 1 ATOM 114 N N . LEU A 1 16 ? 7.377 5.215 -0.423 1.00 98.26 16 A 1 ATOM 115 C CA . LEU A 1 16 ? 8.670 4.562 -0.613 1.00 98.13 16 A 1 ATOM 116 C C . LEU A 1 16 ? 9.183 4.770 -2.033 1.00 98.24 16 A 1 ATOM 117 O O . LEU A 1 16 ? 10.362 5.064 -2.235 1.00 97.75 16 A 1 ATOM 118 C CB . LEU A 1 16 ? 8.562 3.065 -0.311 1.00 97.84 16 A 1 ATOM 119 C CG . LEU A 1 16 ? 8.471 2.722 1.174 1.00 94.88 16 A 1 ATOM 120 C CD1 . LEU A 1 16 ? 8.100 1.255 1.353 1.00 88.83 16 A 1 ATOM 121 C CD2 . LEU A 1 16 ? 9.791 3.010 1.873 1.00 90.47 16 A 1 ATOM 122 N N . LEU A 1 17 ? 8.303 4.628 -3.019 1.00 98.16 17 A 1 ATOM 123 C CA . LEU A 1 17 ? 8.685 4.833 -4.413 1.00 97.99 17 A 1 ATOM 124 C C . LEU A 1 17 ? 9.107 6.276 -4.668 1.00 98.12 17 A 1 ATOM 125 O O . LEU A 1 17 ? 10.061 6.527 -5.408 1.00 97.68 17 A 1 ATOM 126 C CB . LEU A 1 17 ? 7.526 4.460 -5.336 1.00 97.63 17 A 1 ATOM 127 C CG . LEU A 1 17 ? 7.231 2.962 -5.403 1.00 94.66 17 A 1 ATOM 128 C CD1 . LEU A 1 17 ? 5.931 2.723 -6.160 1.00 88.05 17 A 1 ATOM 129 C CD2 . LEU A 1 17 ? 8.373 2.217 -6.078 1.00 89.29 17 A 1 ATOM 130 N N . LEU A 1 18 ? 8.406 7.229 -4.049 1.00 98.06 18 A 1 ATOM 131 C CA . LEU A 1 18 ? 8.715 8.643 -4.229 1.00 97.98 18 A 1 ATOM 132 C C . LEU A 1 18 ? 10.038 9.038 -3.580 1.00 98.03 18 A 1 ATOM 133 O O . LEU A 1 18 ? 10.796 9.828 -4.148 1.00 97.29 18 A 1 ATOM 134 C CB . LEU A 1 18 ? 7.585 9.507 -3.665 1.00 97.59 18 A 1 ATOM 135 C CG . LEU A 1 18 ? 6.289 9.470 -4.473 1.00 94.89 18 A 1 ATOM 136 C CD1 . LEU A 1 18 ? 5.180 10.190 -3.711 1.00 87.91 18 A 1 ATOM 137 C CD2 . LEU A 1 18 ? 6.489 10.110 -5.836 1.00 88.19 18 A 1 ATOM 138 N N . ILE A 1 19 ? 10.321 8.506 -2.382 1.00 98.08 19 A 1 ATOM 139 C CA . ILE A 1 19 ? 11.534 8.882 -1.658 1.00 97.96 19 A 1 ATOM 140 C C . ILE A 1 19 ? 12.756 8.060 -2.060 1.00 97.95 19 A 1 ATOM 141 O O . ILE A 1 19 ? 13.885 8.500 -1.850 1.00 97.25 19 A 1 ATOM 142 C CB . ILE A 1 19 ? 11.334 8.791 -0.130 1.00 97.54 19 A 1 ATOM 143 C CG1 . ILE A 1 19 ? 11.062 7.350 0.305 1.00 94.75 19 A 1 ATOM 144 C CG2 . ILE A 1 19 ? 10.216 9.724 0.301 1.00 92.78 19 A 1 ATOM 145 C CD1 . ILE A 1 19 ? 10.928 7.168 1.808 1.00 89.82 19 A 1 ATOM 146 N N . THR A 1 20 ? 12.551 6.870 -2.611 1.00 97.63 20 A 1 ATOM 147 C CA . THR A 1 20 ? 13.669 5.999 -2.986 1.00 97.12 20 A 1 ATOM 148 C C . THR A 1 20 ? 13.846 5.861 -4.495 1.00 96.04 20 A 1 ATOM 149 O O . THR A 1 20 ? 14.868 5.337 -4.949 1.00 90.07 20 A 1 ATOM 150 C CB . THR A 1 20 ? 13.520 4.591 -2.386 1.00 96.02 20 A 1 ATOM 151 O OG1 . THR A 1 20 ? 12.409 3.917 -2.965 1.00 88.56 20 A 1 ATOM 152 C CG2 . THR A 1 20 ? 13.350 4.653 -0.878 1.00 87.19 20 A 1 ATOM 153 N N . GLY A 1 21 ? 12.870 6.316 -5.266 1.00 93.38 21 A 1 ATOM 154 C CA . GLY A 1 21 ? 12.929 6.187 -6.711 1.00 88.64 21 A 1 ATOM 155 C C . GLY A 1 21 ? 13.104 7.534 -7.394 1.00 83.25 21 A 1 ATOM 156 O O . GLY A 1 21 ? 12.431 8.492 -7.006 1.00 76.99 21 A 1 ATOM 157 O OXT . GLY A 1 21 ? 13.879 7.624 -8.355 1.00 83.52 21 A 1 #