# 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_spkb26478 # _entry.id spkb26478 # 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" "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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[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" "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 ALA 3 1 n ILE 4 1 n ILE 5 1 n PHE 6 1 n LEU 7 1 n PHE 8 1 n ALA 9 1 n VAL 10 1 n LEU 11 1 n THR 12 1 n VAL 13 1 n VAL 14 1 n ALA 15 1 n ILE 16 1 n ILE 17 1 n ILE 18 1 n PRO 19 1 n ILE 20 1 n ILE 21 1 n SER 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 @ 2025-07-03 00:07:13)" _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 97.04 _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 93.21 1 1 A LYS 2 2 94.10 1 2 A ALA 3 2 98.79 1 3 A ILE 4 2 97.36 1 4 A ILE 5 2 97.69 1 5 A PHE 6 2 97.60 1 6 A LEU 7 2 97.37 1 7 A PHE 8 2 96.96 1 8 A ALA 9 2 98.85 1 9 A VAL 10 2 98.47 1 10 A LEU 11 2 96.75 1 11 A THR 12 2 97.94 1 12 A VAL 13 2 98.58 1 13 A VAL 14 2 98.59 1 14 A ALA 15 2 98.82 1 15 A ILE 16 2 97.67 1 16 A ILE 17 2 97.44 1 17 A ILE 18 2 97.23 1 18 A PRO 19 2 98.39 1 19 A ILE 20 2 97.57 1 20 A ILE 21 2 96.38 1 21 A SER 22 2 95.24 1 22 A GLY 23 2 91.46 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 ALA . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n SER . 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 ? -0.520 -16.010 2.677 1.00 98.05 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.027 -14.922 3.534 1.00 98.18 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.063 -13.735 3.578 1.00 98.38 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.489 -12.589 3.507 1.00 97.60 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.284 -15.433 4.962 1.00 96.67 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.455 -16.410 5.010 1.00 91.31 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.787 -17.019 6.670 1.00 87.84 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.232 -18.019 6.358 1.00 77.67 1 A 1 ATOM 9 N N . LYS A 1 2 ? 1.227 -14.012 3.686 1.00 98.58 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 2.227 -12.938 3.742 1.00 98.59 2 A 1 ATOM 11 C C . LYS A 1 2 ? 2.261 -12.124 2.448 1.00 98.69 2 A 1 ATOM 12 O O . LYS A 1 2 ? 2.464 -10.912 2.481 1.00 98.41 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 3.614 -13.520 4.035 1.00 98.09 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 3.720 -14.081 5.448 1.00 95.14 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 5.138 -14.570 5.724 1.00 91.70 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 5.262 -15.085 7.150 1.00 86.87 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 6.637 -15.574 7.433 1.00 80.82 2 A 1 ATOM 18 N N . ALA A 1 3 ? 2.042 -12.777 1.317 1.00 98.77 3 A 1 ATOM 19 C CA . ALA A 1 3 ? 2.058 -12.098 0.022 1.00 98.85 3 A 1 ATOM 20 C C . ALA A 1 3 ? 0.881 -11.129 -0.121 1.00 98.90 3 A 1 ATOM 21 O O . ALA A 1 3 ? 1.048 -10.006 -0.594 1.00 98.77 3 A 1 ATOM 22 C CB . ALA A 1 3 ? 2.051 -13.138 -1.099 1.00 98.68 3 A 1 ATOM 23 N N . ILE A 1 4 ? -0.303 -11.553 0.310 1.00 98.85 4 A 1 ATOM 24 C CA . ILE A 1 4 ? -1.500 -10.720 0.197 1.00 98.85 4 A 1 ATOM 25 C C . ILE A 1 4 ? -1.412 -9.491 1.098 1.00 98.87 4 A 1 ATOM 26 O O . ILE A 1 4 ? -1.795 -8.389 0.696 1.00 98.79 4 A 1 ATOM 27 C CB . ILE A 1 4 ? -2.773 -11.539 0.510 1.00 98.74 4 A 1 ATOM 28 C CG1 . ILE A 1 4 ? -4.041 -10.739 0.177 1.00 96.98 4 A 1 ATOM 29 C CG2 . ILE A 1 4 ? -2.808 -11.978 1.973 1.00 96.16 4 A 1 ATOM 30 C CD1 . ILE A 1 4 ? -4.217 -10.472 -1.301 1.00 91.66 4 A 1 ATOM 31 N N . ILE A 1 5 ? -0.890 -9.660 2.312 1.00 98.89 5 A 1 ATOM 32 C CA . ILE A 1 5 ? -0.752 -8.546 3.251 1.00 98.86 5 A 1 ATOM 33 C C . ILE A 1 5 ? 0.268 -7.535 2.733 1.00 98.86 5 A 1 ATOM 34 O O . ILE A 1 5 ? 0.087 -6.321 2.882 1.00 98.82 5 A 1 ATOM 35 C CB . ILE A 1 5 ? -0.361 -9.046 4.657 1.00 98.79 5 A 1 ATOM 36 C CG1 . ILE A 1 5 ? -0.430 -7.907 5.688 1.00 97.63 5 A 1 ATOM 37 C CG2 . ILE A 1 5 ? 1.040 -9.655 4.674 1.00 96.87 5 A 1 ATOM 38 C CD1 . ILE A 1 5 ? -1.840 -7.391 5.907 1.00 92.81 5 A 1 ATOM 39 N N . PHE A 1 6 ? 1.329 -8.026 2.110 1.00 98.88 6 A 1 ATOM 40 C CA . PHE A 1 6 ? 2.359 -7.161 1.535 1.00 98.87 6 A 1 ATOM 41 C C . PHE A 1 6 ? 1.791 -6.341 0.379 1.00 98.88 6 A 1 ATOM 42 O O . PHE A 1 6 ? 1.989 -5.125 0.317 1.00 98.84 6 A 1 ATOM 43 C CB . PHE A 1 6 ? 3.545 -8.003 1.059 1.00 98.82 6 A 1 ATOM 44 C CG . PHE A 1 6 ? 4.662 -7.166 0.479 1.00 98.13 6 A 1 ATOM 45 C CD1 . PHE A 1 6 ? 5.547 -6.493 1.320 1.00 96.56 6 A 1 ATOM 46 C CD2 . PHE A 1 6 ? 4.810 -7.048 -0.897 1.00 96.93 6 A 1 ATOM 47 C CE1 . PHE A 1 6 ? 6.573 -5.709 0.796 1.00 95.74 6 A 1 ATOM 48 C CE2 . PHE A 1 6 ? 5.834 -6.257 -1.435 1.00 96.05 6 A 1 ATOM 49 C CZ . PHE A 1 6 ? 6.713 -5.588 -0.591 1.00 95.93 6 A 1 ATOM 50 N N . LEU A 1 7 ? 1.064 -7.001 -0.518 1.00 98.89 7 A 1 ATOM 51 C CA . LEU A 1 7 ? 0.447 -6.319 -1.657 1.00 98.89 7 A 1 ATOM 52 C C . LEU A 1 7 ? -0.555 -5.268 -1.182 1.00 98.91 7 A 1 ATOM 53 O O . LEU A 1 7 ? -0.594 -4.157 -1.715 1.00 98.87 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -0.253 -7.342 -2.559 1.00 98.80 7 A 1 ATOM 55 C CG . LEU A 1 7 ? 0.696 -8.286 -3.304 1.00 95.69 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -0.099 -9.360 -4.027 1.00 93.85 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? 1.554 -7.520 -4.307 1.00 95.04 7 A 1 ATOM 58 N N . PHE A 1 8 ? -1.347 -5.617 -0.178 1.00 98.87 8 A 1 ATOM 59 C CA . PHE A 1 8 ? -2.328 -4.689 0.377 1.00 98.85 8 A 1 ATOM 60 C C . PHE A 1 8 ? -1.640 -3.468 0.989 1.00 98.87 8 A 1 ATOM 61 O O . PHE A 1 8 ? -2.096 -2.338 0.811 1.00 98.77 8 A 1 ATOM 62 C CB . PHE A 1 8 ? -3.173 -5.405 1.428 1.00 98.73 8 A 1 ATOM 63 C CG . PHE A 1 8 ? -4.308 -4.549 1.924 1.00 97.53 8 A 1 ATOM 64 C CD1 . PHE A 1 8 ? -4.169 -3.785 3.081 1.00 95.37 8 A 1 ATOM 65 C CD2 . PHE A 1 8 ? -5.503 -4.500 1.213 1.00 95.80 8 A 1 ATOM 66 C CE1 . PHE A 1 8 ? -5.211 -2.980 3.528 1.00 94.40 8 A 1 ATOM 67 C CE2 . PHE A 1 8 ? -6.549 -3.694 1.655 1.00 94.67 8 A 1 ATOM 68 C CZ . PHE A 1 8 ? -6.407 -2.933 2.812 1.00 94.68 8 A 1 ATOM 69 N N . ALA A 1 9 ? -0.532 -3.695 1.692 1.00 98.89 9 A 1 ATOM 70 C CA . ALA A 1 9 ? 0.230 -2.605 2.296 1.00 98.88 9 A 1 ATOM 71 C C . ALA A 1 9 ? 0.778 -1.657 1.228 1.00 98.90 9 A 1 ATOM 72 O O . ALA A 1 9 ? 0.676 -0.439 1.365 1.00 98.80 9 A 1 ATOM 73 C CB . ALA A 1 9 ? 1.369 -3.181 3.136 1.00 98.77 9 A 1 ATOM 74 N N . VAL A 1 10 ? 1.333 -2.213 0.156 1.00 98.92 10 A 1 ATOM 75 C CA . VAL A 1 10 ? 1.874 -1.408 -0.943 1.00 98.91 10 A 1 ATOM 76 C C . VAL A 1 10 ? 0.772 -0.588 -1.603 1.00 98.92 10 A 1 ATOM 77 O O . VAL A 1 10 ? 0.928 0.617 -1.814 1.00 98.78 10 A 1 ATOM 78 C CB . VAL A 1 10 ? 2.570 -2.300 -1.989 1.00 98.77 10 A 1 ATOM 79 C CG1 . VAL A 1 10 ? 3.028 -1.481 -3.196 1.00 97.52 10 A 1 ATOM 80 C CG2 . VAL A 1 10 ? 3.777 -2.993 -1.371 1.00 97.46 10 A 1 ATOM 81 N N . LEU A 1 11 ? -0.351 -1.224 -1.908 1.00 98.92 11 A 1 ATOM 82 C CA . LEU A 1 11 ? -1.481 -0.542 -2.538 1.00 98.90 11 A 1 ATOM 83 C C . LEU A 1 11 ? -2.030 0.561 -1.637 1.00 98.92 11 A 1 ATOM 84 O O . LEU A 1 11 ? -2.399 1.631 -2.121 1.00 98.83 11 A 1 ATOM 85 C CB . LEU A 1 11 ? -2.584 -1.554 -2.854 1.00 98.79 11 A 1 ATOM 86 C CG . LEU A 1 11 ? -2.225 -2.543 -3.966 1.00 94.02 11 A 1 ATOM 87 C CD1 . LEU A 1 11 ? -3.306 -3.611 -4.084 1.00 92.27 11 A 1 ATOM 88 C CD2 . LEU A 1 11 ? -2.063 -1.831 -5.303 1.00 93.39 11 A 1 ATOM 89 N N . THR A 1 12 ? -2.066 0.314 -0.342 1.00 98.89 12 A 1 ATOM 90 C CA . THR A 1 12 ? -2.550 1.305 0.622 1.00 98.87 12 A 1 ATOM 91 C C . THR A 1 12 ? -1.633 2.525 0.644 1.00 98.89 12 A 1 ATOM 92 O O . THR A 1 12 ? -2.102 3.662 0.605 1.00 98.68 12 A 1 ATOM 93 C CB . THR A 1 12 ? -2.628 0.701 2.026 1.00 98.66 12 A 1 ATOM 94 O OG1 . THR A 1 12 ? -3.503 -0.419 2.021 1.00 96.06 12 A 1 ATOM 95 C CG2 . THR A 1 12 ? -3.164 1.715 3.027 1.00 95.52 12 A 1 ATOM 96 N N . VAL A 1 13 ? -0.328 2.303 0.690 1.00 98.92 13 A 1 ATOM 97 C CA . VAL A 1 13 ? 0.642 3.402 0.692 1.00 98.90 13 A 1 ATOM 98 C C . VAL A 1 13 ? 0.510 4.228 -0.584 1.00 98.92 13 A 1 ATOM 99 O O . VAL A 1 13 ? 0.464 5.459 -0.532 1.00 98.81 13 A 1 ATOM 100 C CB . VAL A 1 13 ? 2.077 2.870 0.831 1.00 98.77 13 A 1 ATOM 101 C CG1 . VAL A 1 13 ? 3.097 3.996 0.676 1.00 97.84 13 A 1 ATOM 102 C CG2 . VAL A 1 13 ? 2.263 2.214 2.188 1.00 97.90 13 A 1 ATOM 103 N N . VAL A 1 14 ? 0.427 3.566 -1.727 1.00 98.93 14 A 1 ATOM 104 C CA . VAL A 1 14 ? 0.280 4.252 -3.014 1.00 98.90 14 A 1 ATOM 105 C C . VAL A 1 14 ? -1.026 5.036 -3.058 1.00 98.91 14 A 1 ATOM 106 O O . VAL A 1 14 ? -1.049 6.181 -3.513 1.00 98.80 14 A 1 ATOM 107 C CB . VAL A 1 14 ? 0.339 3.247 -4.175 1.00 98.77 14 A 1 ATOM 108 C CG1 . VAL A 1 14 ? 0.068 3.932 -5.511 1.00 97.86 14 A 1 ATOM 109 C CG2 . VAL A 1 14 ? 1.708 2.581 -4.228 1.00 97.93 14 A 1 ATOM 110 N N . ALA A 1 15 ? -2.101 4.451 -2.568 1.00 98.90 15 A 1 ATOM 111 C CA . ALA A 1 15 ? -3.411 5.094 -2.549 1.00 98.87 15 A 1 ATOM 112 C C . ALA A 1 15 ? -3.426 6.341 -1.664 1.00 98.88 15 A 1 ATOM 113 O O . ALA A 1 15 ? -4.227 7.245 -1.887 1.00 98.69 15 A 1 ATOM 114 C CB . ALA A 1 15 ? -4.463 4.097 -2.072 1.00 98.74 15 A 1 ATOM 115 N N . ILE A 1 16 ? -2.563 6.396 -0.663 1.00 98.87 16 A 1 ATOM 116 C CA . ILE A 1 16 ? -2.467 7.552 0.229 1.00 98.81 16 A 1 ATOM 117 C C . ILE A 1 16 ? -1.557 8.623 -0.367 1.00 98.84 16 A 1 ATOM 118 O O . ILE A 1 16 ? -1.845 9.817 -0.275 1.00 98.66 16 A 1 ATOM 119 C CB . ILE A 1 16 ? -1.952 7.125 1.615 1.00 98.62 16 A 1 ATOM 120 C CG1 . ILE A 1 16 ? -2.958 6.177 2.280 1.00 97.39 16 A 1 ATOM 121 C CG2 . ILE A 1 16 ? -1.714 8.346 2.503 1.00 96.81 16 A 1 ATOM 122 C CD1 . ILE A 1 16 ? -2.416 5.495 3.524 1.00 93.37 16 A 1 ATOM 123 N N . ILE A 1 17 ? -0.453 8.203 -0.973 1.00 98.84 17 A 1 ATOM 124 C CA . ILE A 1 17 ? 0.528 9.142 -1.519 1.00 98.81 17 A 1 ATOM 125 C C . ILE A 1 17 ? -0.011 9.868 -2.752 1.00 98.83 17 A 1 ATOM 126 O O . ILE A 1 17 ? 0.191 11.076 -2.895 1.00 98.67 17 A 1 ATOM 127 C CB . ILE A 1 17 ? 1.845 8.416 -1.856 1.00 98.61 17 A 1 ATOM 128 C CG1 . ILE A 1 17 ? 2.502 7.890 -0.570 1.00 97.13 17 A 1 ATOM 129 C CG2 . ILE A 1 17 ? 2.813 9.351 -2.584 1.00 96.55 17 A 1 ATOM 130 C CD1 . ILE A 1 17 ? 3.702 6.989 -0.825 1.00 92.12 17 A 1 ATOM 131 N N . ILE A 1 18 ? -0.694 9.151 -3.638 1.00 98.79 18 A 1 ATOM 132 C CA . ILE A 1 18 ? -1.222 9.739 -4.874 1.00 98.67 18 A 1 ATOM 133 C C . ILE A 1 18 ? -2.115 10.959 -4.615 1.00 98.67 18 A 1 ATOM 134 O O . ILE A 1 18 ? -1.863 12.019 -5.192 1.00 98.47 18 A 1 ATOM 135 C CB . ILE A 1 18 ? -1.958 8.682 -5.715 1.00 98.36 18 A 1 ATOM 136 C CG1 . ILE A 1 18 ? -0.955 7.675 -6.297 1.00 96.69 18 A 1 ATOM 137 C CG2 . ILE A 1 18 ? -2.739 9.346 -6.850 1.00 96.11 18 A 1 ATOM 138 C CD1 . ILE A 1 18 ? -1.624 6.487 -6.976 1.00 92.07 18 A 1 ATOM 139 N N . PRO A 1 19 ? -3.141 10.862 -3.768 1.00 98.78 19 A 1 ATOM 140 C CA . PRO A 1 19 ? -4.017 12.018 -3.509 1.00 98.70 19 A 1 ATOM 141 C C . PRO A 1 19 ? -3.289 13.160 -2.813 1.00 98.71 19 A 1 ATOM 142 O O . PRO A 1 19 ? -3.621 14.322 -3.034 1.00 98.34 19 A 1 ATOM 143 C CB . PRO A 1 19 ? -5.135 11.458 -2.628 1.00 98.36 19 A 1 ATOM 144 C CG . PRO A 1 19 ? -4.544 10.230 -2.012 1.00 97.42 19 A 1 ATOM 145 C CD . PRO A 1 19 ? -3.604 9.689 -3.067 1.00 98.43 19 A 1 ATOM 146 N N . ILE A 1 20 ? -2.291 12.856 -1.987 1.00 98.78 20 A 1 ATOM 147 C CA . ILE A 1 20 ? -1.510 13.889 -1.301 1.00 98.69 20 A 1 ATOM 148 C C . ILE A 1 20 ? -0.697 14.699 -2.305 1.00 98.67 20 A 1 ATOM 149 O O . ILE A 1 20 ? -0.619 15.927 -2.205 1.00 98.32 20 A 1 ATOM 150 C CB . ILE A 1 20 ? -0.577 13.269 -0.247 1.00 98.46 20 A 1 ATOM 151 C CG1 . ILE A 1 20 ? -1.413 12.632 0.872 1.00 97.17 20 A 1 ATOM 152 C CG2 . ILE A 1 20 ? 0.364 14.328 0.336 1.00 96.88 20 A 1 ATOM 153 C CD1 . ILE A 1 20 ? -0.586 11.818 1.858 1.00 93.57 20 A 1 ATOM 154 N N . ILE A 1 21 ? -0.089 14.015 -3.274 1.00 98.68 21 A 1 ATOM 155 C CA . ILE A 1 21 ? 0.723 14.685 -4.292 1.00 98.50 21 A 1 ATOM 156 C C . ILE A 1 21 ? -0.157 15.349 -5.346 1.00 98.41 21 A 1 ATOM 157 O O . ILE A 1 21 ? 0.131 16.465 -5.782 1.00 97.95 21 A 1 ATOM 158 C CB . ILE A 1 21 ? 1.689 13.689 -4.961 1.00 98.12 21 A 1 ATOM 159 C CG1 . ILE A 1 21 ? 2.646 13.097 -3.915 1.00 95.26 21 A 1 ATOM 160 C CG2 . ILE A 1 21 ? 2.488 14.379 -6.072 1.00 93.64 21 A 1 ATOM 161 C CD1 . ILE A 1 21 ? 3.510 11.970 -4.472 1.00 90.51 21 A 1 ATOM 162 N N . SER A 1 22 ? -1.225 14.680 -5.738 1.00 98.56 22 A 1 ATOM 163 C CA . SER A 1 22 ? -2.127 15.186 -6.776 1.00 98.19 22 A 1 ATOM 164 C C . SER A 1 22 ? -2.951 16.368 -6.279 1.00 97.43 22 A 1 ATOM 165 O O . SER A 1 22 ? -3.189 17.313 -7.034 1.00 93.36 22 A 1 ATOM 166 C CB . SER A 1 22 ? -3.058 14.073 -7.253 1.00 97.36 22 A 1 ATOM 167 O OG . SER A 1 22 ? -3.846 14.525 -8.332 1.00 86.55 22 A 1 ATOM 168 N N . GLY A 1 23 ? -3.356 16.325 -5.009 1.00 96.94 23 A 1 ATOM 169 C CA . GLY A 1 23 ? -4.188 17.387 -4.433 1.00 94.53 23 A 1 ATOM 170 C C . GLY A 1 23 ? -5.603 17.345 -4.990 1.00 90.81 23 A 1 ATOM 171 O O . GLY A 1 23 ? -6.128 18.403 -5.359 1.00 82.86 23 A 1 ATOM 172 O OXT . GLY A 1 23 ? -6.190 16.239 -5.035 1.00 92.18 23 A 1 #