# 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_spkb16837 # _entry.id spkb16837 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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" "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 GLN 2 1 n LEU 3 1 n TYR 4 1 n LEU 5 1 n VAL 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n ILE 10 1 n SER 11 1 n TYR 12 1 n LEU 13 1 n LEU 14 1 n THR 15 1 n PRO 16 1 n ILE 17 1 n GLY 18 1 n ALA 19 # _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 10:12:33)" _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 92.41 _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 84.50 1 1 A GLN 2 2 87.66 1 2 A LEU 3 2 94.06 1 3 A TYR 4 2 93.76 1 4 A LEU 5 2 95.33 1 5 A VAL 6 2 97.34 1 6 A LEU 7 2 95.93 1 7 A LEU 8 2 95.38 1 8 A LEU 9 2 95.06 1 9 A ILE 10 2 96.03 1 10 A SER 11 2 95.83 1 11 A TYR 12 2 92.95 1 12 A LEU 13 2 95.72 1 13 A LEU 14 2 95.00 1 14 A THR 15 2 92.69 1 15 A PRO 16 2 91.99 1 16 A ILE 17 2 85.26 1 17 A GLY 18 2 85.52 1 18 A ALA 19 2 80.37 1 19 # _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 GLN . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n TYR . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n ALA . 19 A 19 # _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 ? -9.032 9.810 1.700 1.00 91.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.341 8.991 0.685 1.00 92.77 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.878 8.735 1.068 1.00 93.54 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.247 7.824 0.544 1.00 91.06 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.450 9.669 -0.688 1.00 87.41 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.055 8.760 -1.840 1.00 79.80 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.603 9.412 -3.423 1.00 74.54 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.577 8.462 -4.545 1.00 65.28 1 A 1 ATOM 9 N N . GLN A 1 2 ? -6.368 9.528 1.993 1.00 94.87 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -4.978 9.388 2.444 1.00 96.36 2 A 1 ATOM 11 C C . GLN A 1 2 ? -4.724 8.022 3.075 1.00 97.02 2 A 1 ATOM 12 O O . GLN A 1 2 ? -3.781 7.324 2.702 1.00 95.24 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -4.655 10.495 3.453 1.00 94.09 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -4.681 11.883 2.838 1.00 84.85 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -4.606 12.967 3.897 1.00 81.54 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -5.107 12.803 5.005 1.00 74.53 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -3.999 14.089 3.586 1.00 70.41 2 A 1 ATOM 18 N N . LEU A 1 3 ? -5.577 7.638 4.003 1.00 97.18 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -5.445 6.353 4.689 1.00 97.53 3 A 1 ATOM 20 C C . LEU A 1 3 ? -5.586 5.187 3.715 1.00 97.87 3 A 1 ATOM 21 O O . LEU A 1 3 ? -4.856 4.198 3.812 1.00 97.42 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -6.496 6.258 5.799 1.00 97.04 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -6.344 5.033 6.700 1.00 91.62 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -5.085 5.140 7.555 1.00 87.21 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -7.563 4.898 7.602 1.00 86.60 3 A 1 ATOM 26 N N . TYR A 1 4 ? -6.509 5.318 2.776 1.00 97.59 4 A 1 ATOM 27 C CA . TYR A 1 4 ? -6.744 4.294 1.760 1.00 97.48 4 A 1 ATOM 28 C C . TYR A 1 4 ? -5.504 4.070 0.894 1.00 97.63 4 A 1 ATOM 29 O O . TYR A 1 4 ? -5.110 2.928 0.653 1.00 97.35 4 A 1 ATOM 30 C CB . TYR A 1 4 ? -7.940 4.701 0.894 1.00 97.17 4 A 1 ATOM 31 C CG . TYR A 1 4 ? -8.256 3.686 -0.178 1.00 94.72 4 A 1 ATOM 32 C CD1 . TYR A 1 4 ? -7.773 3.852 -1.478 1.00 90.66 4 A 1 ATOM 33 C CD2 . TYR A 1 4 ? -9.021 2.561 0.125 1.00 90.84 4 A 1 ATOM 34 C CE1 . TYR A 1 4 ? -8.054 2.906 -2.461 1.00 90.09 4 A 1 ATOM 35 C CE2 . TYR A 1 4 ? -9.304 1.610 -0.857 1.00 90.62 4 A 1 ATOM 36 C CZ . TYR A 1 4 ? -8.817 1.789 -2.146 1.00 91.11 4 A 1 ATOM 37 O OH . TYR A 1 4 ? -9.088 0.857 -3.115 1.00 89.90 4 A 1 ATOM 38 N N . LEU A 1 5 ? -4.877 5.155 0.451 1.00 97.84 5 A 1 ATOM 39 C CA . LEU A 1 5 ? -3.680 5.071 -0.383 1.00 97.94 5 A 1 ATOM 40 C C . LEU A 1 5 ? -2.504 4.459 0.374 1.00 98.07 5 A 1 ATOM 41 O O . LEU A 1 5 ? -1.776 3.636 -0.176 1.00 97.86 5 A 1 ATOM 42 C CB . LEU A 1 5 ? -3.305 6.464 -0.892 1.00 97.70 5 A 1 ATOM 43 C CG . LEU A 1 5 ? -4.206 6.990 -2.009 1.00 92.94 5 A 1 ATOM 44 C CD1 . LEU A 1 5 ? -3.883 8.454 -2.278 1.00 89.64 5 A 1 ATOM 45 C CD2 . LEU A 1 5 ? -4.011 6.186 -3.291 1.00 90.64 5 A 1 ATOM 46 N N . VAL A 1 6 ? -2.329 4.846 1.618 1.00 98.03 6 A 1 ATOM 47 C CA . VAL A 1 6 ? -1.247 4.319 2.458 1.00 97.98 6 A 1 ATOM 48 C C . VAL A 1 6 ? -1.438 2.823 2.691 1.00 98.02 6 A 1 ATOM 49 O O . VAL A 1 6 ? -0.501 2.041 2.538 1.00 97.70 6 A 1 ATOM 50 C CB . VAL A 1 6 ? -1.168 5.078 3.794 1.00 97.68 6 A 1 ATOM 51 C CG1 . VAL A 1 6 ? -0.149 4.445 4.736 1.00 96.23 6 A 1 ATOM 52 C CG2 . VAL A 1 6 ? -0.790 6.534 3.555 1.00 95.71 6 A 1 ATOM 53 N N . LEU A 1 7 ? -2.643 2.431 3.038 1.00 97.79 7 A 1 ATOM 54 C CA . LEU A 1 7 ? -2.963 1.026 3.280 1.00 97.71 7 A 1 ATOM 55 C C . LEU A 1 7 ? -2.781 0.195 2.012 1.00 97.81 7 A 1 ATOM 56 O O . LEU A 1 7 ? -2.225 -0.905 2.060 1.00 97.71 7 A 1 ATOM 57 C CB . LEU A 1 7 ? -4.399 0.915 3.800 1.00 97.52 7 A 1 ATOM 58 C CG . LEU A 1 7 ? -4.792 -0.480 4.278 1.00 93.98 7 A 1 ATOM 59 C CD1 . LEU A 1 7 ? -3.974 -0.900 5.495 1.00 92.12 7 A 1 ATOM 60 C CD2 . LEU A 1 7 ? -6.272 -0.509 4.626 1.00 92.81 7 A 1 ATOM 61 N N . LEU A 1 8 ? -3.221 0.730 0.893 1.00 97.56 8 A 1 ATOM 62 C CA . LEU A 1 8 ? -3.076 0.075 -0.404 1.00 97.27 8 A 1 ATOM 63 C C . LEU A 1 8 ? -1.602 -0.075 -0.771 1.00 97.32 8 A 1 ATOM 64 O O . LEU A 1 8 ? -1.192 -1.121 -1.270 1.00 96.98 8 A 1 ATOM 65 C CB . LEU A 1 8 ? -3.816 0.888 -1.472 1.00 97.06 8 A 1 ATOM 66 C CG . LEU A 1 8 ? -3.856 0.226 -2.850 1.00 93.45 8 A 1 ATOM 67 C CD1 . LEU A 1 8 ? -4.751 -1.011 -2.838 1.00 91.27 8 A 1 ATOM 68 C CD2 . LEU A 1 8 ? -4.368 1.216 -3.885 1.00 92.10 8 A 1 ATOM 69 N N . LEU A 1 9 ? -0.816 0.952 -0.504 1.00 97.01 9 A 1 ATOM 70 C CA . LEU A 1 9 ? 0.618 0.945 -0.781 1.00 96.97 9 A 1 ATOM 71 C C . LEU A 1 9 ? 1.327 -0.153 0.012 1.00 97.25 9 A 1 ATOM 72 O O . LEU A 1 9 ? 2.152 -0.881 -0.535 1.00 97.19 9 A 1 ATOM 73 C CB . LEU A 1 9 ? 1.210 2.317 -0.444 1.00 96.81 9 A 1 ATOM 74 C CG . LEU A 1 9 ? 2.700 2.458 -0.757 1.00 93.29 9 A 1 ATOM 75 C CD1 . LEU A 1 9 ? 2.950 2.427 -2.260 1.00 90.77 9 A 1 ATOM 76 C CD2 . LEU A 1 9 ? 3.230 3.761 -0.177 1.00 91.20 9 A 1 ATOM 77 N N . ILE A 1 10 ? 0.999 -0.281 1.284 1.00 97.23 10 A 1 ATOM 78 C CA . ILE A 1 10 ? 1.586 -1.308 2.145 1.00 96.94 10 A 1 ATOM 79 C C . ILE A 1 10 ? 1.253 -2.700 1.607 1.00 97.09 10 A 1 ATOM 80 O O . ILE A 1 10 ? 2.139 -3.551 1.481 1.00 96.81 10 A 1 ATOM 81 C CB . ILE A 1 10 ? 1.099 -1.146 3.598 1.00 96.67 10 A 1 ATOM 82 C CG1 . ILE A 1 10 ? 1.636 0.166 4.198 1.00 95.84 10 A 1 ATOM 83 C CG2 . ILE A 1 10 ? 1.547 -2.331 4.455 1.00 95.22 10 A 1 ATOM 84 C CD1 . ILE A 1 10 ? 0.916 0.585 5.473 1.00 92.43 10 A 1 ATOM 85 N N . SER A 1 11 ? 0.008 -2.920 1.265 1.00 97.04 11 A 1 ATOM 86 C CA . SER A 1 11 ? -0.432 -4.199 0.710 1.00 96.91 11 A 1 ATOM 87 C C . SER A 1 11 ? 0.233 -4.479 -0.635 1.00 97.03 11 A 1 ATOM 88 O O . SER A 1 11 ? 0.642 -5.607 -0.909 1.00 96.35 11 A 1 ATOM 89 C CB . SER A 1 11 ? -1.947 -4.203 0.548 1.00 96.27 11 A 1 ATOM 90 O OG . SER A 1 11 ? -2.584 -3.989 1.791 1.00 91.40 11 A 1 ATOM 91 N N . TYR A 1 12 ? 0.369 -3.445 -1.440 1.00 97.28 12 A 1 ATOM 92 C CA . TYR A 1 12 ? 0.995 -3.551 -2.754 1.00 97.01 12 A 1 ATOM 93 C C . TYR A 1 12 ? 2.477 -3.900 -2.642 1.00 97.14 12 A 1 ATOM 94 O O . TYR A 1 12 ? 2.999 -4.670 -3.448 1.00 96.21 12 A 1 ATOM 95 C CB . TYR A 1 12 ? 0.811 -2.236 -3.511 1.00 96.50 12 A 1 ATOM 96 C CG . TYR A 1 12 ? 1.149 -2.353 -4.977 1.00 93.93 12 A 1 ATOM 97 C CD1 . TYR A 1 12 ? 2.419 -2.017 -5.446 1.00 89.52 12 A 1 ATOM 98 C CD2 . TYR A 1 12 ? 0.189 -2.808 -5.882 1.00 90.15 12 A 1 ATOM 99 C CE1 . TYR A 1 12 ? 2.729 -2.136 -6.798 1.00 89.13 12 A 1 ATOM 100 C CE2 . TYR A 1 12 ? 0.493 -2.931 -7.235 1.00 89.30 12 A 1 ATOM 101 C CZ . TYR A 1 12 ? 1.765 -2.592 -7.684 1.00 90.25 12 A 1 ATOM 102 O OH . TYR A 1 12 ? 2.070 -2.710 -9.021 1.00 88.92 12 A 1 ATOM 103 N N . LEU A 1 13 ? 3.147 -3.361 -1.638 1.00 97.57 13 A 1 ATOM 104 C CA . LEU A 1 13 ? 4.558 -3.655 -1.402 1.00 97.64 13 A 1 ATOM 105 C C . LEU A 1 13 ? 4.761 -5.100 -0.951 1.00 97.72 13 A 1 ATOM 106 O O . LEU A 1 13 ? 5.764 -5.722 -1.298 1.00 96.90 13 A 1 ATOM 107 C CB . LEU A 1 13 ? 5.120 -2.695 -0.350 1.00 97.39 13 A 1 ATOM 108 C CG . LEU A 1 13 ? 5.327 -1.263 -0.848 1.00 95.62 13 A 1 ATOM 109 C CD1 . LEU A 1 13 ? 5.591 -0.333 0.324 1.00 91.31 13 A 1 ATOM 110 C CD2 . LEU A 1 13 ? 6.492 -1.192 -1.827 1.00 91.61 13 A 1 ATOM 111 N N . LEU A 1 14 ? 3.821 -5.635 -0.201 1.00 97.73 14 A 1 ATOM 112 C CA . LEU A 1 14 ? 3.895 -7.013 0.272 1.00 97.51 14 A 1 ATOM 113 C C . LEU A 1 14 ? 3.740 -8.018 -0.865 1.00 97.35 14 A 1 ATOM 114 O O . LEU A 1 14 ? 4.349 -9.087 -0.828 1.00 96.13 14 A 1 ATOM 115 C CB . LEU A 1 14 ? 2.821 -7.255 1.335 1.00 96.93 14 A 1 ATOM 116 C CG . LEU A 1 14 ? 3.110 -6.597 2.679 1.00 94.55 14 A 1 ATOM 117 C CD1 . LEU A 1 14 ? 1.867 -6.609 3.551 1.00 90.03 14 A 1 ATOM 118 C CD2 . LEU A 1 14 ? 4.241 -7.317 3.397 1.00 89.80 14 A 1 ATOM 119 N N . THR A 1 15 ? 2.954 -7.676 -1.864 1.00 96.93 15 A 1 ATOM 120 C CA . THR A 1 15 ? 2.711 -8.560 -3.008 1.00 96.24 15 A 1 ATOM 121 C C . THR A 1 15 ? 3.993 -8.929 -3.767 1.00 96.11 15 A 1 ATOM 122 O O . THR A 1 15 ? 4.277 -10.119 -3.917 1.00 93.30 15 A 1 ATOM 123 C CB . THR A 1 15 ? 1.675 -7.950 -3.958 1.00 93.90 15 A 1 ATOM 124 O OG1 . THR A 1 15 ? 0.493 -7.631 -3.236 1.00 86.53 15 A 1 ATOM 125 C CG2 . THR A 1 15 ? 1.311 -8.910 -5.069 1.00 85.85 15 A 1 ATOM 126 N N . PRO A 1 16 ? 4.786 -7.953 -4.239 1.00 94.29 16 A 1 ATOM 127 C CA . PRO A 1 16 ? 6.010 -8.275 -4.979 1.00 93.80 16 A 1 ATOM 128 C C . PRO A 1 16 ? 7.104 -8.860 -4.093 1.00 93.75 16 A 1 ATOM 129 O O . PRO A 1 16 ? 7.895 -9.678 -4.555 1.00 89.97 16 A 1 ATOM 130 C CB . PRO A 1 16 ? 6.445 -6.940 -5.583 1.00 91.43 16 A 1 ATOM 131 C CG . PRO A 1 16 ? 5.863 -5.914 -4.669 1.00 88.82 16 A 1 ATOM 132 C CD . PRO A 1 16 ? 4.563 -6.524 -4.193 1.00 91.86 16 A 1 ATOM 133 N N . ILE A 1 17 ? 7.165 -8.454 -2.825 1.00 91.87 17 A 1 ATOM 134 C CA . ILE A 1 17 ? 8.170 -8.965 -1.895 1.00 89.87 17 A 1 ATOM 135 C C . ILE A 1 17 ? 7.897 -10.425 -1.550 1.00 89.58 17 A 1 ATOM 136 O O . ILE A 1 17 ? 8.827 -11.229 -1.450 1.00 85.55 17 A 1 ATOM 137 C CB . ILE A 1 17 ? 8.227 -8.101 -0.620 1.00 87.85 17 A 1 ATOM 138 C CG1 . ILE A 1 17 ? 8.700 -6.683 -0.962 1.00 82.82 17 A 1 ATOM 139 C CG2 . ILE A 1 17 ? 9.156 -8.724 0.419 1.00 80.67 17 A 1 ATOM 140 C CD1 . ILE A 1 17 ? 8.489 -5.689 0.168 1.00 73.87 17 A 1 ATOM 141 N N . GLY A 1 18 ? 6.639 -10.760 -1.368 1.00 89.45 18 A 1 ATOM 142 C CA . GLY A 1 18 ? 6.239 -12.124 -1.037 1.00 85.40 18 A 1 ATOM 143 C C . GLY A 1 18 ? 5.985 -13.013 -2.247 1.00 85.10 18 A 1 ATOM 144 O O . GLY A 1 18 ? 5.612 -14.174 -2.083 1.00 82.12 18 A 1 ATOM 145 N N . ALA A 1 19 ? 6.189 -12.484 -3.442 1.00 89.06 19 A 1 ATOM 146 C CA . ALA A 1 19 ? 5.960 -13.229 -4.677 1.00 85.68 19 A 1 ATOM 147 C C . ALA A 1 19 ? 6.967 -14.373 -4.851 1.00 81.30 19 A 1 ATOM 148 O O . ALA A 1 19 ? 8.071 -14.312 -4.289 1.00 75.78 19 A 1 ATOM 149 C CB . ALA A 1 19 ? 6.006 -12.278 -5.867 1.00 80.23 19 A 1 ATOM 150 O OXT . ALA A 1 19 ? 6.646 -15.344 -5.557 1.00 70.15 19 A 1 #