# 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_spkb22061 # _entry.id spkb22061 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "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 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 ILE 2 1 n VAL 3 1 n GLN 4 1 n PHE 5 1 n VAL 6 1 n ALA 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n ASN 12 1 n LEU 13 1 n LEU 14 1 n GLN 15 1 n ILE 16 1 n ILE 17 1 n ALA 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 @ 2025-07-05 03:34:06)" _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 95.30 _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 89.54 1 1 A ILE 2 2 93.39 1 2 A VAL 3 2 96.56 1 3 A GLN 4 2 92.46 1 4 A PHE 5 2 94.74 1 5 A VAL 6 2 97.64 1 6 A ALA 7 2 98.29 1 7 A LEU 8 2 96.11 1 8 A LEU 9 2 96.33 1 9 A LEU 10 2 96.58 1 10 A LEU 11 2 96.47 1 11 A ASN 12 2 95.61 1 12 A LEU 13 2 96.42 1 13 A LEU 14 2 96.60 1 14 A GLN 15 2 94.30 1 15 A ILE 16 2 97.31 1 16 A ILE 17 2 96.05 1 17 A ALA 18 2 96.70 1 18 A ALA 19 2 91.30 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 ILE . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ASN . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLN . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n ALA . 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 ? 4.624 -12.541 4.265 1.00 93.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.472 -11.630 4.388 1.00 94.84 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.369 -10.719 3.167 1.00 95.67 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.264 -9.500 3.288 1.00 94.59 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.610 -10.782 5.651 1.00 91.19 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.562 -11.624 6.904 1.00 85.61 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.291 -10.614 8.360 1.00 84.23 1 A 1 ATOM 8 C CE . MET A 1 1 ? 2.955 -11.889 9.566 1.00 76.52 1 A 1 ATOM 9 N N . ILE A 1 2 ? 3.416 -11.339 2.003 1.00 94.77 2 A 1 ATOM 10 C CA . ILE A 1 2 ? 3.354 -10.582 0.752 1.00 96.59 2 A 1 ATOM 11 C C . ILE A 1 2 ? 1.955 -10.012 0.535 1.00 97.45 2 A 1 ATOM 12 O O . ILE A 1 2 ? 1.797 -8.887 0.059 1.00 97.13 2 A 1 ATOM 13 C CB . ILE A 1 2 ? 3.769 -11.473 -0.431 1.00 95.56 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? 5.182 -12.019 -0.219 1.00 91.16 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? 3.700 -10.679 -1.739 1.00 89.38 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? 5.489 -13.216 -1.089 1.00 85.11 2 A 1 ATOM 17 N N . VAL A 1 3 ? 0.949 -10.794 0.896 1.00 97.81 3 A 1 ATOM 18 C CA . VAL A 1 3 ? -0.443 -10.364 0.742 1.00 97.90 3 A 1 ATOM 19 C C . VAL A 1 3 ? -0.706 -9.106 1.564 1.00 98.16 3 A 1 ATOM 20 O O . VAL A 1 3 ? -1.361 -8.171 1.100 1.00 97.97 3 A 1 ATOM 21 C CB . VAL A 1 3 ? -1.410 -11.489 1.160 1.00 97.06 3 A 1 ATOM 22 C CG1 . VAL A 1 3 ? -2.851 -11.053 0.960 1.00 93.57 3 A 1 ATOM 23 C CG2 . VAL A 1 3 ? -1.133 -12.756 0.369 1.00 93.44 3 A 1 ATOM 24 N N . GLN A 1 4 ? -0.188 -9.090 2.773 1.00 97.70 4 A 1 ATOM 25 C CA . GLN A 1 4 ? -0.341 -7.932 3.657 1.00 97.87 4 A 1 ATOM 26 C C . GLN A 1 4 ? 0.381 -6.721 3.088 1.00 98.18 4 A 1 ATOM 27 O O . GLN A 1 4 ? -0.134 -5.608 3.128 1.00 97.82 4 A 1 ATOM 28 C CB . GLN A 1 4 ? 0.209 -8.268 5.047 1.00 97.45 4 A 1 ATOM 29 C CG . GLN A 1 4 ? -0.895 -8.644 6.015 1.00 92.34 4 A 1 ATOM 30 C CD . GLN A 1 4 ? -0.893 -7.725 7.223 1.00 88.22 4 A 1 ATOM 31 O OE1 . GLN A 1 4 ? 0.036 -7.731 8.025 1.00 82.37 4 A 1 ATOM 32 N NE2 . GLN A 1 4 ? -1.911 -6.913 7.364 1.00 80.22 4 A 1 ATOM 33 N N . PHE A 1 5 ? 1.568 -6.947 2.542 1.00 97.48 5 A 1 ATOM 34 C CA . PHE A 1 5 ? 2.364 -5.883 1.944 1.00 97.67 5 A 1 ATOM 35 C C . PHE A 1 5 ? 1.623 -5.242 0.775 1.00 98.11 5 A 1 ATOM 36 O O . PHE A 1 5 ? 1.564 -4.019 0.668 1.00 98.00 5 A 1 ATOM 37 C CB . PHE A 1 5 ? 3.706 -6.451 1.484 1.00 97.45 5 A 1 ATOM 38 C CG . PHE A 1 5 ? 4.640 -5.387 0.971 1.00 95.54 5 A 1 ATOM 39 C CD1 . PHE A 1 5 ? 5.319 -4.560 1.855 1.00 92.40 5 A 1 ATOM 40 C CD2 . PHE A 1 5 ? 4.825 -5.223 -0.392 1.00 92.92 5 A 1 ATOM 41 C CE1 . PHE A 1 5 ? 6.175 -3.575 1.386 1.00 91.47 5 A 1 ATOM 42 C CE2 . PHE A 1 5 ? 5.681 -4.234 -0.872 1.00 90.82 5 A 1 ATOM 43 C CZ . PHE A 1 5 ? 6.355 -3.412 0.018 1.00 90.27 5 A 1 ATOM 44 N N . VAL A 1 6 ? 1.064 -6.080 -0.079 1.00 98.26 6 A 1 ATOM 45 C CA . VAL A 1 6 ? 0.309 -5.596 -1.235 1.00 98.29 6 A 1 ATOM 46 C C . VAL A 1 6 ? -0.927 -4.830 -0.781 1.00 98.47 6 A 1 ATOM 47 O O . VAL A 1 6 ? -1.245 -3.772 -1.324 1.00 98.35 6 A 1 ATOM 48 C CB . VAL A 1 6 ? -0.093 -6.764 -2.153 1.00 98.00 6 A 1 ATOM 49 C CG1 . VAL A 1 6 ? -0.940 -6.266 -3.313 1.00 96.21 6 A 1 ATOM 50 C CG2 . VAL A 1 6 ? 1.140 -7.472 -2.683 1.00 95.89 6 A 1 ATOM 51 N N . ALA A 1 7 ? -1.608 -5.369 0.206 1.00 98.30 7 A 1 ATOM 52 C CA . ALA A 1 7 ? -2.806 -4.728 0.744 1.00 98.35 7 A 1 ATOM 53 C C . ALA A 1 7 ? -2.468 -3.378 1.369 1.00 98.47 7 A 1 ATOM 54 O O . ALA A 1 7 ? -3.205 -2.407 1.196 1.00 98.25 7 A 1 ATOM 55 C CB . ALA A 1 7 ? -3.457 -5.641 1.777 1.00 98.06 7 A 1 ATOM 56 N N . LEU A 1 8 ? -1.363 -3.325 2.079 1.00 98.37 8 A 1 ATOM 57 C CA . LEU A 1 8 ? -0.907 -2.094 2.716 1.00 98.26 8 A 1 ATOM 58 C C . LEU A 1 8 ? -0.546 -1.050 1.669 1.00 98.39 8 A 1 ATOM 59 O O . LEU A 1 8 ? -0.888 0.124 1.813 1.00 98.21 8 A 1 ATOM 60 C CB . LEU A 1 8 ? 0.302 -2.390 3.606 1.00 98.00 8 A 1 ATOM 61 C CG . LEU A 1 8 ? 0.535 -1.335 4.683 1.00 93.47 8 A 1 ATOM 62 C CD1 . LEU A 1 8 ? -0.279 -1.654 5.928 1.00 91.93 8 A 1 ATOM 63 C CD2 . LEU A 1 8 ? 2.007 -1.247 5.029 1.00 92.26 8 A 1 ATOM 64 N N . LEU A 1 9 ? 0.135 -1.485 0.627 1.00 98.26 9 A 1 ATOM 65 C CA . LEU A 1 9 ? 0.533 -0.600 -0.464 1.00 98.17 9 A 1 ATOM 66 C C . LEU A 1 9 ? -0.690 -0.019 -1.158 1.00 98.36 9 A 1 ATOM 67 O O . LEU A 1 9 ? -0.733 1.171 -1.470 1.00 98.32 9 A 1 ATOM 68 C CB . LEU A 1 9 ? 1.392 -1.372 -1.466 1.00 98.05 9 A 1 ATOM 69 C CG . LEU A 1 9 ? 2.290 -0.472 -2.308 1.00 94.06 9 A 1 ATOM 70 C CD1 . LEU A 1 9 ? 3.646 -0.299 -1.632 1.00 92.31 9 A 1 ATOM 71 C CD2 . LEU A 1 9 ? 2.470 -1.049 -3.696 1.00 93.14 9 A 1 ATOM 72 N N . LEU A 1 10 ? -1.674 -0.868 -1.384 1.00 98.32 10 A 1 ATOM 73 C CA . LEU A 1 10 ? -2.916 -0.446 -2.029 1.00 98.24 10 A 1 ATOM 74 C C . LEU A 1 10 ? -3.631 0.596 -1.178 1.00 98.33 10 A 1 ATOM 75 O O . LEU A 1 10 ? -4.119 1.604 -1.690 1.00 98.22 10 A 1 ATOM 76 C CB . LEU A 1 10 ? -3.825 -1.659 -2.241 1.00 98.04 10 A 1 ATOM 77 C CG . LEU A 1 10 ? -4.605 -1.602 -3.547 1.00 95.20 10 A 1 ATOM 78 C CD1 . LEU A 1 10 ? -3.928 -2.464 -4.604 1.00 93.15 10 A 1 ATOM 79 C CD2 . LEU A 1 10 ? -6.031 -2.068 -3.338 1.00 93.17 10 A 1 ATOM 80 N N . LEU A 1 11 ? -3.684 0.339 0.120 1.00 98.44 11 A 1 ATOM 81 C CA . LEU A 1 11 ? -4.318 1.258 1.058 1.00 98.25 11 A 1 ATOM 82 C C . LEU A 1 11 ? -3.572 2.584 1.091 1.00 98.31 11 A 1 ATOM 83 O O . LEU A 1 11 ? -4.188 3.649 1.131 1.00 98.01 11 A 1 ATOM 84 C CB . LEU A 1 11 ? -4.348 0.634 2.454 1.00 98.00 11 A 1 ATOM 85 C CG . LEU A 1 11 ? -5.557 1.055 3.282 1.00 95.34 11 A 1 ATOM 86 C CD1 . LEU A 1 11 ? -6.767 0.193 2.930 1.00 92.67 11 A 1 ATOM 87 C CD2 . LEU A 1 11 ? -5.251 0.943 4.761 1.00 92.73 11 A 1 ATOM 88 N N . ASN A 1 12 ? -2.252 2.506 1.067 1.00 98.12 12 A 1 ATOM 89 C CA . ASN A 1 12 ? -1.407 3.696 1.073 1.00 98.06 12 A 1 ATOM 90 C C . ASN A 1 12 ? -1.670 4.546 -0.162 1.00 98.30 12 A 1 ATOM 91 O O . ASN A 1 12 ? -1.776 5.767 -0.070 1.00 97.97 12 A 1 ATOM 92 C CB . ASN A 1 12 ? 0.065 3.283 1.116 1.00 97.72 12 A 1 ATOM 93 C CG . ASN A 1 12 ? 0.920 4.351 1.758 1.00 94.74 12 A 1 ATOM 94 O OD1 . ASN A 1 12 ? 1.477 5.202 1.085 1.00 89.57 12 A 1 ATOM 95 N ND2 . ASN A 1 12 ? 1.037 4.313 3.065 1.00 90.37 12 A 1 ATOM 96 N N . LEU A 1 13 ? -1.795 3.895 -1.299 1.00 98.16 13 A 1 ATOM 97 C CA . LEU A 1 13 ? -2.078 4.585 -2.552 1.00 98.20 13 A 1 ATOM 98 C C . LEU A 1 13 ? -3.428 5.289 -2.480 1.00 98.33 13 A 1 ATOM 99 O O . LEU A 1 13 ? -3.572 6.427 -2.928 1.00 98.01 13 A 1 ATOM 100 C CB . LEU A 1 13 ? -2.069 3.581 -3.706 1.00 98.08 13 A 1 ATOM 101 C CG . LEU A 1 13 ? -1.381 4.112 -4.962 1.00 95.40 13 A 1 ATOM 102 C CD1 . LEU A 1 13 ? 0.124 3.872 -4.880 1.00 92.31 13 A 1 ATOM 103 C CD2 . LEU A 1 13 ? -1.949 3.444 -6.198 1.00 92.87 13 A 1 ATOM 104 N N . LEU A 1 14 ? -4.402 4.606 -1.913 1.00 98.41 14 A 1 ATOM 105 C CA . LEU A 1 14 ? -5.742 5.161 -1.751 1.00 98.25 14 A 1 ATOM 106 C C . LEU A 1 14 ? -5.703 6.396 -0.859 1.00 98.24 14 A 1 ATOM 107 O O . LEU A 1 14 ? -6.390 7.385 -1.126 1.00 97.74 14 A 1 ATOM 108 C CB . LEU A 1 14 ? -6.669 4.100 -1.151 1.00 98.01 14 A 1 ATOM 109 C CG . LEU A 1 14 ? -8.136 4.514 -1.101 1.00 96.25 14 A 1 ATOM 110 C CD1 . LEU A 1 14 ? -8.951 3.730 -2.123 1.00 93.18 14 A 1 ATOM 111 C CD2 . LEU A 1 14 ? -8.707 4.303 0.284 1.00 92.74 14 A 1 ATOM 112 N N . GLN A 1 15 ? -4.899 6.338 0.192 1.00 98.39 15 A 1 ATOM 113 C CA . GLN A 1 15 ? -4.760 7.453 1.126 1.00 98.30 15 A 1 ATOM 114 C C . GLN A 1 15 ? -4.105 8.649 0.446 1.00 98.36 15 A 1 ATOM 115 O O . GLN A 1 15 ? -4.484 9.788 0.701 1.00 97.61 15 A 1 ATOM 116 C CB . GLN A 1 15 ? -3.936 7.009 2.341 1.00 97.90 15 A 1 ATOM 117 C CG . GLN A 1 15 ? -4.646 5.923 3.139 1.00 95.44 15 A 1 ATOM 118 C CD . GLN A 1 15 ? -4.757 6.280 4.609 1.00 91.81 15 A 1 ATOM 119 O OE1 . GLN A 1 15 ? -3.862 6.887 5.193 1.00 86.50 15 A 1 ATOM 120 N NE2 . GLN A 1 15 ? -5.854 5.906 5.233 1.00 84.36 15 A 1 ATOM 121 N N . ILE A 1 16 ? -3.146 8.389 -0.424 1.00 98.44 16 A 1 ATOM 122 C CA . ILE A 1 16 ? -2.457 9.459 -1.146 1.00 98.30 16 A 1 ATOM 123 C C . ILE A 1 16 ? -3.432 10.202 -2.055 1.00 98.28 16 A 1 ATOM 124 O O . ILE A 1 16 ? -3.384 11.431 -2.156 1.00 97.77 16 A 1 ATOM 125 C CB . ILE A 1 16 ? -1.276 8.894 -1.960 1.00 98.03 16 A 1 ATOM 126 C CG1 . ILE A 1 16 ? -0.189 8.368 -1.019 1.00 96.89 16 A 1 ATOM 127 C CG2 . ILE A 1 16 ? -0.691 9.972 -2.874 1.00 96.47 16 A 1 ATOM 128 C CD1 . ILE A 1 16 ? 0.774 7.418 -1.701 1.00 94.33 16 A 1 ATOM 129 N N . ILE A 1 17 ? -4.308 9.466 -2.704 1.00 98.12 17 A 1 ATOM 130 C CA . ILE A 1 17 ? -5.302 10.069 -3.588 1.00 97.65 17 A 1 ATOM 131 C C . ILE A 1 17 ? -6.309 10.882 -2.784 1.00 97.52 17 A 1 ATOM 132 O O . ILE A 1 17 ? -6.781 11.928 -3.237 1.00 96.97 17 A 1 ATOM 133 C CB . ILE A 1 17 ? -6.021 8.987 -4.414 1.00 97.20 17 A 1 ATOM 134 C CG1 . ILE A 1 17 ? -5.024 8.244 -5.307 1.00 95.26 17 A 1 ATOM 135 C CG2 . ILE A 1 17 ? -7.118 9.611 -5.272 1.00 93.95 17 A 1 ATOM 136 C CD1 . ILE A 1 17 ? -5.541 6.905 -5.790 1.00 91.69 17 A 1 ATOM 137 N N . ALA A 1 18 ? -6.637 10.386 -1.600 1.00 97.66 18 A 1 ATOM 138 C CA . ALA A 1 18 ? -7.599 11.056 -0.730 1.00 97.16 18 A 1 ATOM 139 C C . ALA A 1 18 ? -6.949 12.177 0.083 1.00 96.97 18 A 1 ATOM 140 O O . ALA A 1 18 ? -7.657 12.979 0.697 1.00 95.56 18 A 1 ATOM 141 C CB . ALA A 1 18 ? -8.254 10.035 0.199 1.00 96.16 18 A 1 ATOM 142 N N . ALA A 1 19 ? -5.628 12.226 0.089 1.00 96.45 19 A 1 ATOM 143 C CA . ALA A 1 19 ? -4.896 13.225 0.871 1.00 94.84 19 A 1 ATOM 144 C C . ALA A 1 19 ? -4.849 14.570 0.139 1.00 92.10 19 A 1 ATOM 145 O O . ALA A 1 19 ? -5.361 15.564 0.678 1.00 87.65 19 A 1 ATOM 146 C CB . ALA A 1 19 ? -3.488 12.725 1.170 1.00 92.61 19 A 1 ATOM 147 O OXT . ALA A 1 19 ? -4.284 14.612 -0.933 1.00 84.18 19 A 1 #