# 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_spkb09536 # _entry.id spkb09536 # 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 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "C3 H7 N O3" 105.093 SER y SERINE C([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 ASN 2 1 n PHE 3 1 n ASN 4 1 n LYS 5 1 n ILE 6 1 n PHE 7 1 n VAL 8 1 n PHE 9 1 n VAL 10 1 n ALA 11 1 n LEU 12 1 n ILE 13 1 n LEU 14 1 n ALA 15 1 n ILE 16 1 n SER 17 1 n LEU 18 1 n GLY 19 1 n ASN 20 1 n SER 21 1 n GLU 22 1 n ALA 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 @ 2025-07-10 21:08:32)" _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 91.96 _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 82.57 1 1 A ASN 2 2 90.06 1 2 A PHE 3 2 89.88 1 3 A ASN 4 2 92.92 1 4 A LYS 5 2 91.69 1 5 A ILE 6 2 95.68 1 6 A PHE 7 2 94.74 1 7 A VAL 8 2 97.32 1 8 A PHE 9 2 93.88 1 9 A VAL 10 2 97.46 1 10 A ALA 11 2 97.91 1 11 A LEU 12 2 94.63 1 12 A ILE 13 2 96.47 1 13 A LEU 14 2 94.57 1 14 A ALA 15 2 97.50 1 15 A ILE 16 2 96.04 1 16 A SER 17 2 94.79 1 17 A LEU 18 2 94.07 1 18 A GLY 19 2 95.13 1 19 A ASN 20 2 88.35 1 20 A SER 21 2 88.03 1 21 A GLU 22 2 77.63 1 22 A ALA 23 2 78.16 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 ASN . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n ASN . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n ALA . 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 ? 5.766 4.053 18.310 1.00 90.00 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.249 4.052 16.918 1.00 92.17 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.120 3.034 16.845 1.00 93.34 1 A 1 ATOM 4 O O . MET A 1 1 ? 4.287 1.936 17.370 1.00 88.40 1 A 1 ATOM 5 C CB . MET A 1 1 ? 6.394 3.729 15.952 1.00 85.03 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.191 4.302 14.544 1.00 76.23 1 A 1 ATOM 7 S SD . MET A 1 1 ? 7.773 4.408 13.665 1.00 70.47 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.239 5.034 12.051 1.00 64.94 1 A 1 ATOM 9 N N . ASN A 1 2 ? 2.957 3.370 16.311 1.00 94.07 2 A 1 ATOM 10 C CA . ASN A 1 2 ? 1.805 2.468 16.319 1.00 95.65 2 A 1 ATOM 11 C C . ASN A 1 2 ? 1.871 1.551 15.088 1.00 96.41 2 A 1 ATOM 12 O O . ASN A 1 2 ? 1.814 2.048 13.963 1.00 95.51 2 A 1 ATOM 13 C CB . ASN A 1 2 ? 0.515 3.303 16.402 1.00 92.81 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -0.728 2.444 16.581 1.00 85.63 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -0.729 1.257 16.352 1.00 80.29 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -1.827 3.032 16.995 1.00 80.15 2 A 1 ATOM 17 N N . PHE A 1 3 ? 1.971 0.234 15.297 1.00 96.59 3 A 1 ATOM 18 C CA . PHE A 1 3 ? 2.043 -0.766 14.226 1.00 97.04 3 A 1 ATOM 19 C C . PHE A 1 3 ? 0.851 -0.684 13.264 1.00 97.61 3 A 1 ATOM 20 O O . PHE A 1 3 ? 1.026 -0.883 12.063 1.00 96.98 3 A 1 ATOM 21 C CB . PHE A 1 3 ? 2.140 -2.164 14.846 1.00 95.95 3 A 1 ATOM 22 C CG . PHE A 1 3 ? 3.504 -2.460 15.440 1.00 90.00 3 A 1 ATOM 23 C CD1 . PHE A 1 3 ? 4.545 -2.883 14.595 1.00 85.06 3 A 1 ATOM 24 C CD2 . PHE A 1 3 ? 3.738 -2.316 16.815 1.00 84.68 3 A 1 ATOM 25 C CE1 . PHE A 1 3 ? 5.819 -3.162 15.117 1.00 82.13 3 A 1 ATOM 26 C CE2 . PHE A 1 3 ? 5.011 -2.589 17.345 1.00 82.96 3 A 1 ATOM 27 C CZ . PHE A 1 3 ? 6.050 -3.013 16.495 1.00 79.72 3 A 1 ATOM 28 N N . ASN A 1 4 ? -0.337 -0.293 13.741 1.00 97.39 4 A 1 ATOM 29 C CA . ASN A 1 4 ? -1.516 -0.106 12.894 1.00 97.58 4 A 1 ATOM 30 C C . ASN A 1 4 ? -1.299 0.986 11.838 1.00 97.93 4 A 1 ATOM 31 O O . ASN A 1 4 ? -1.776 0.853 10.715 1.00 97.57 4 A 1 ATOM 32 C CB . ASN A 1 4 ? -2.733 0.236 13.766 1.00 96.72 4 A 1 ATOM 33 C CG . ASN A 1 4 ? -3.177 -0.912 14.656 1.00 90.29 4 A 1 ATOM 34 O OD1 . ASN A 1 4 ? -2.781 -2.047 14.514 1.00 83.57 4 A 1 ATOM 35 N ND2 . ASN A 1 4 ? -4.034 -0.642 15.619 1.00 82.33 4 A 1 ATOM 36 N N . LYS A 1 5 ? -0.557 2.055 12.156 1.00 97.95 5 A 1 ATOM 37 C CA . LYS A 1 5 ? -0.245 3.114 11.188 1.00 98.06 5 A 1 ATOM 38 C C . LYS A 1 5 ? 0.688 2.609 10.089 1.00 98.23 5 A 1 ATOM 39 O O . LYS A 1 5 ? 0.460 2.916 8.924 1.00 98.07 5 A 1 ATOM 40 C CB . LYS A 1 5 ? 0.360 4.340 11.881 1.00 97.78 5 A 1 ATOM 41 C CG . LYS A 1 5 ? -0.645 5.062 12.788 1.00 93.43 5 A 1 ATOM 42 C CD . LYS A 1 5 ? -0.038 6.367 13.319 1.00 87.44 5 A 1 ATOM 43 C CE . LYS A 1 5 ? -1.064 7.125 14.162 1.00 81.76 5 A 1 ATOM 44 N NZ . LYS A 1 5 ? -0.563 8.473 14.556 1.00 72.47 5 A 1 ATOM 45 N N . ILE A 1 6 ? 1.695 1.808 10.449 1.00 97.65 6 A 1 ATOM 46 C CA . ILE A 1 6 ? 2.622 1.197 9.489 1.00 97.63 6 A 1 ATOM 47 C C . ILE A 1 6 ? 1.863 0.231 8.580 1.00 97.90 6 A 1 ATOM 48 O O . ILE A 1 6 ? 2.008 0.286 7.360 1.00 97.80 6 A 1 ATOM 49 C CB . ILE A 1 6 ? 3.781 0.492 10.221 1.00 97.35 6 A 1 ATOM 50 C CG1 . ILE A 1 6 ? 4.589 1.507 11.062 1.00 95.04 6 A 1 ATOM 51 C CG2 . ILE A 1 6 ? 4.696 -0.227 9.214 1.00 94.26 6 A 1 ATOM 52 C CD1 . ILE A 1 6 ? 5.620 0.855 11.984 1.00 87.81 6 A 1 ATOM 53 N N . PHE A 1 7 ? 0.996 -0.613 9.160 1.00 98.11 7 A 1 ATOM 54 C CA . PHE A 1 7 ? 0.188 -1.572 8.412 1.00 98.08 7 A 1 ATOM 55 C C . PHE A 1 7 ? -0.729 -0.883 7.396 1.00 98.23 7 A 1 ATOM 56 O O . PHE A 1 7 ? -0.747 -1.265 6.230 1.00 98.10 7 A 1 ATOM 57 C CB . PHE A 1 7 ? -0.614 -2.425 9.399 1.00 97.72 7 A 1 ATOM 58 C CG . PHE A 1 7 ? -1.403 -3.514 8.709 1.00 95.47 7 A 1 ATOM 59 C CD1 . PHE A 1 7 ? -2.758 -3.320 8.391 1.00 91.82 7 A 1 ATOM 60 C CD2 . PHE A 1 7 ? -0.762 -4.707 8.342 1.00 92.30 7 A 1 ATOM 61 C CE1 . PHE A 1 7 ? -3.474 -4.317 7.712 1.00 90.04 7 A 1 ATOM 62 C CE2 . PHE A 1 7 ? -1.476 -5.704 7.659 1.00 91.21 7 A 1 ATOM 63 C CZ . PHE A 1 7 ? -2.830 -5.510 7.344 1.00 91.11 7 A 1 ATOM 64 N N . VAL A 1 8 ? -1.431 0.170 7.798 1.00 97.96 8 A 1 ATOM 65 C CA . VAL A 1 8 ? -2.297 0.954 6.898 1.00 97.98 8 A 1 ATOM 66 C C . VAL A 1 8 ? -1.482 1.603 5.778 1.00 98.09 8 A 1 ATOM 67 O O . VAL A 1 8 ? -1.912 1.595 4.628 1.00 97.91 8 A 1 ATOM 68 C CB . VAL A 1 8 ? -3.088 2.006 7.695 1.00 97.62 8 A 1 ATOM 69 C CG1 . VAL A 1 8 ? -3.839 3.000 6.801 1.00 96.10 8 A 1 ATOM 70 C CG2 . VAL A 1 8 ? -4.134 1.323 8.584 1.00 95.60 8 A 1 ATOM 71 N N . PHE A 1 9 ? -0.290 2.120 6.079 1.00 97.48 9 A 1 ATOM 72 C CA . PHE A 1 9 ? 0.576 2.741 5.078 1.00 97.39 9 A 1 ATOM 73 C C . PHE A 1 9 ? 1.044 1.728 4.024 1.00 97.67 9 A 1 ATOM 74 O O . PHE A 1 9 ? 0.967 1.992 2.825 1.00 97.62 9 A 1 ATOM 75 C CB . PHE A 1 9 ? 1.763 3.402 5.792 1.00 97.08 9 A 1 ATOM 76 C CG . PHE A 1 9 ? 2.184 4.702 5.146 1.00 94.29 9 A 1 ATOM 77 C CD1 . PHE A 1 9 ? 3.161 4.717 4.141 1.00 90.69 9 A 1 ATOM 78 C CD2 . PHE A 1 9 ? 1.579 5.901 5.556 1.00 91.48 9 A 1 ATOM 79 C CE1 . PHE A 1 9 ? 3.540 5.926 3.544 1.00 89.36 9 A 1 ATOM 80 C CE2 . PHE A 1 9 ? 1.952 7.113 4.959 1.00 89.81 9 A 1 ATOM 81 C CZ . PHE A 1 9 ? 2.934 7.130 3.952 1.00 89.78 9 A 1 ATOM 82 N N . VAL A 1 10 ? 1.471 0.535 4.456 1.00 98.07 10 A 1 ATOM 83 C CA . VAL A 1 10 ? 1.885 -0.554 3.557 1.00 98.03 10 A 1 ATOM 84 C C . VAL A 1 10 ? 0.702 -1.055 2.725 1.00 98.16 10 A 1 ATOM 85 O O . VAL A 1 10 ? 0.835 -1.222 1.515 1.00 98.02 10 A 1 ATOM 86 C CB . VAL A 1 10 ? 2.529 -1.697 4.362 1.00 97.68 10 A 1 ATOM 87 C CG1 . VAL A 1 10 ? 2.824 -2.928 3.500 1.00 96.11 10 A 1 ATOM 88 C CG2 . VAL A 1 10 ? 3.860 -1.239 4.971 1.00 96.14 10 A 1 ATOM 89 N N . ALA A 1 11 ? -0.468 -1.240 3.335 1.00 98.16 11 A 1 ATOM 90 C CA . ALA A 1 11 ? -1.679 -1.658 2.630 1.00 98.08 11 A 1 ATOM 91 C C . ALA A 1 11 ? -2.102 -0.644 1.554 1.00 98.03 11 A 1 ATOM 92 O O . ALA A 1 11 ? -2.489 -1.045 0.459 1.00 97.45 11 A 1 ATOM 93 C CB . ALA A 1 11 ? -2.794 -1.874 3.661 1.00 97.81 11 A 1 ATOM 94 N N . LEU A 1 12 ? -1.976 0.654 1.831 1.00 97.94 12 A 1 ATOM 95 C CA . LEU A 1 12 ? -2.272 1.710 0.864 1.00 97.75 12 A 1 ATOM 96 C C . LEU A 1 12 ? -1.328 1.651 -0.343 1.00 97.81 12 A 1 ATOM 97 O O . LEU A 1 12 ? -1.784 1.706 -1.483 1.00 97.61 12 A 1 ATOM 98 C CB . LEU A 1 12 ? -2.173 3.069 1.575 1.00 97.45 12 A 1 ATOM 99 C CG . LEU A 1 12 ? -2.803 4.205 0.752 1.00 90.81 12 A 1 ATOM 100 C CD1 . LEU A 1 12 ? -4.294 4.335 1.062 1.00 88.33 12 A 1 ATOM 101 C CD2 . LEU A 1 12 ? -2.123 5.536 1.075 1.00 89.33 12 A 1 ATOM 102 N N . ILE A 1 13 ? -0.021 1.497 -0.109 1.00 97.92 13 A 1 ATOM 103 C CA . ILE A 1 13 ? 0.979 1.380 -1.182 1.00 97.74 13 A 1 ATOM 104 C C . ILE A 1 13 ? 0.690 0.149 -2.049 1.00 97.68 13 A 1 ATOM 105 O O . ILE A 1 13 ? 0.681 0.250 -3.278 1.00 97.30 13 A 1 ATOM 106 C CB . ILE A 1 13 ? 2.404 1.338 -0.590 1.00 97.52 13 A 1 ATOM 107 C CG1 . ILE A 1 13 ? 2.766 2.706 0.031 1.00 96.40 13 A 1 ATOM 108 C CG2 . ILE A 1 13 ? 3.447 0.967 -1.665 1.00 95.65 13 A 1 ATOM 109 C CD1 . ILE A 1 13 ? 3.987 2.654 0.946 1.00 91.51 13 A 1 ATOM 110 N N . LEU A 1 14 ? 0.403 -0.998 -1.434 1.00 97.80 14 A 1 ATOM 111 C CA . LEU A 1 14 ? 0.066 -2.227 -2.151 1.00 97.39 14 A 1 ATOM 112 C C . LEU A 1 14 ? -1.208 -2.064 -2.986 1.00 97.35 14 A 1 ATOM 113 O O . LEU A 1 14 ? -1.216 -2.453 -4.151 1.00 97.02 14 A 1 ATOM 114 C CB . LEU A 1 14 ? -0.092 -3.379 -1.148 1.00 96.88 14 A 1 ATOM 115 C CG . LEU A 1 14 ? 1.236 -3.877 -0.554 1.00 91.63 14 A 1 ATOM 116 C CD1 . LEU A 1 14 ? 0.944 -4.849 0.589 1.00 88.98 14 A 1 ATOM 117 C CD2 . LEU A 1 14 ? 2.094 -4.596 -1.589 1.00 89.53 14 A 1 ATOM 118 N N . ALA A 1 15 ? -2.253 -1.447 -2.440 1.00 97.93 15 A 1 ATOM 119 C CA . ALA A 1 15 ? -3.501 -1.207 -3.158 1.00 97.75 15 A 1 ATOM 120 C C . ALA A 1 15 ? -3.299 -0.305 -4.387 1.00 97.73 15 A 1 ATOM 121 O O . ALA A 1 15 ? -3.836 -0.596 -5.453 1.00 96.87 15 A 1 ATOM 122 C CB . ALA A 1 15 ? -4.513 -0.602 -2.180 1.00 97.23 15 A 1 ATOM 123 N N . ILE A 1 16 ? -2.492 0.746 -4.270 1.00 97.89 16 A 1 ATOM 124 C CA . ILE A 1 16 ? -2.160 1.631 -5.394 1.00 97.52 16 A 1 ATOM 125 C C . ILE A 1 16 ? -1.352 0.870 -6.452 1.00 97.40 16 A 1 ATOM 126 O O . ILE A 1 16 ? -1.660 0.964 -7.641 1.00 96.77 16 A 1 ATOM 127 C CB . ILE A 1 16 ? -1.409 2.880 -4.891 1.00 97.13 16 A 1 ATOM 128 C CG1 . ILE A 1 16 ? -2.335 3.757 -4.020 1.00 95.69 16 A 1 ATOM 129 C CG2 . ILE A 1 16 ? -0.864 3.712 -6.067 1.00 94.48 16 A 1 ATOM 130 C CD1 . ILE A 1 16 ? -1.581 4.787 -3.174 1.00 91.43 16 A 1 ATOM 131 N N . SER A 1 17 ? -0.355 0.091 -6.039 1.00 97.55 17 A 1 ATOM 132 C CA . SER A 1 17 ? 0.485 -0.682 -6.963 1.00 97.11 17 A 1 ATOM 133 C C . SER A 1 17 ? -0.312 -1.748 -7.717 1.00 96.95 17 A 1 ATOM 134 O O . SER A 1 17 ? -0.135 -1.903 -8.923 1.00 95.33 17 A 1 ATOM 135 C CB . SER A 1 17 ? 1.641 -1.345 -6.212 1.00 96.27 17 A 1 ATOM 136 O OG . SER A 1 17 ? 2.465 -0.372 -5.605 1.00 85.52 17 A 1 ATOM 137 N N . LEU A 1 18 ? -1.222 -2.459 -7.040 1.00 97.63 18 A 1 ATOM 138 C CA . LEU A 1 18 ? -2.113 -3.446 -7.655 1.00 97.32 18 A 1 ATOM 139 C C . LEU A 1 18 ? -3.091 -2.782 -8.624 1.00 97.15 18 A 1 ATOM 140 O O . LEU A 1 18 ? -3.164 -3.191 -9.782 1.00 95.82 18 A 1 ATOM 141 C CB . LEU A 1 18 ? -2.860 -4.212 -6.546 1.00 96.64 18 A 1 ATOM 142 C CG . LEU A 1 18 ? -2.012 -5.339 -5.938 1.00 93.03 18 A 1 ATOM 143 C CD1 . LEU A 1 18 ? -2.494 -5.679 -4.528 1.00 87.65 18 A 1 ATOM 144 C CD2 . LEU A 1 18 ? -2.103 -6.605 -6.785 1.00 87.29 18 A 1 ATOM 145 N N . GLY A 1 19 ? -3.773 -1.725 -8.195 1.00 96.36 19 A 1 ATOM 146 C CA . GLY A 1 19 ? -4.719 -1.001 -9.046 1.00 95.63 19 A 1 ATOM 147 C C . GLY A 1 19 ? -4.069 -0.392 -10.291 1.00 95.52 19 A 1 ATOM 148 O O . GLY A 1 19 ? -4.667 -0.398 -11.363 1.00 93.00 19 A 1 ATOM 149 N N . ASN A 1 20 ? -2.824 0.077 -10.182 1.00 95.69 20 A 1 ATOM 150 C CA . ASN A 1 20 ? -2.075 0.603 -11.328 1.00 95.17 20 A 1 ATOM 151 C C . ASN A 1 20 ? -1.569 -0.495 -12.273 1.00 94.56 20 A 1 ATOM 152 O O . ASN A 1 20 ? -1.299 -0.217 -13.438 1.00 91.84 20 A 1 ATOM 153 C CB . ASN A 1 20 ? -0.922 1.456 -10.790 1.00 93.28 20 A 1 ATOM 154 C CG . ASN A 1 20 ? -0.253 2.253 -11.882 1.00 85.09 20 A 1 ATOM 155 O OD1 . ASN A 1 20 ? -0.755 3.253 -12.344 1.00 75.61 20 A 1 ATOM 156 N ND2 . ASN A 1 20 ? 0.917 1.842 -12.318 1.00 75.58 20 A 1 ATOM 157 N N . SER A 1 21 ? -1.417 -1.738 -11.796 1.00 93.02 21 A 1 ATOM 158 C CA . SER A 1 21 ? -0.977 -2.874 -12.623 1.00 91.94 21 A 1 ATOM 159 C C . SER A 1 21 ? -2.126 -3.519 -13.401 1.00 90.83 21 A 1 ATOM 160 O O . SER A 1 21 ? -1.875 -4.208 -14.386 1.00 86.10 21 A 1 ATOM 161 C CB . SER A 1 21 ? -0.291 -3.939 -11.765 1.00 89.48 21 A 1 ATOM 162 O OG . SER A 1 21 ? 0.826 -3.395 -11.084 1.00 76.83 21 A 1 ATOM 163 N N . GLU A 1 22 ? -3.373 -3.302 -12.975 1.00 90.32 22 A 1 ATOM 164 C CA . GLU A 1 22 ? -4.589 -3.805 -13.639 1.00 87.50 22 A 1 ATOM 165 C C . GLU A 1 22 ? -5.232 -2.764 -14.576 1.00 85.05 22 A 1 ATOM 166 O O . GLU A 1 22 ? -6.248 -3.053 -15.203 1.00 77.66 22 A 1 ATOM 167 C CB . GLU A 1 22 ? -5.591 -4.297 -12.583 1.00 83.15 22 A 1 ATOM 168 C CG . GLU A 1 22 ? -5.062 -5.497 -11.785 1.00 74.59 22 A 1 ATOM 169 C CD . GLU A 1 22 ? -6.130 -6.083 -10.852 1.00 70.13 22 A 1 ATOM 170 O OE1 . GLU A 1 22 ? -6.396 -7.298 -10.954 1.00 63.98 22 A 1 ATOM 171 O OE2 . GLU A 1 22 ? -6.675 -5.323 -10.014 1.00 66.33 22 A 1 ATOM 172 N N . ALA A 1 23 ? -4.655 -1.570 -14.685 1.00 86.23 23 A 1 ATOM 173 C CA . ALA A 1 23 ? -5.117 -0.490 -15.556 1.00 84.31 23 A 1 ATOM 174 C C . ALA A 1 23 ? -4.405 -0.488 -16.916 1.00 79.04 23 A 1 ATOM 175 O O . ALA A 1 23 ? -3.214 -0.847 -16.974 1.00 72.10 23 A 1 ATOM 176 C CB . ALA A 1 23 ? -4.968 0.841 -14.820 1.00 77.64 23 A 1 ATOM 177 O OXT . ALA A 1 23 ? -5.059 -0.095 -17.906 1.00 69.61 23 A 1 #