# 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_spkb44835 # _entry.id spkb44835 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "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" "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 ARG 2 1 n LEU 3 1 n SER 4 1 n ARG 5 1 n LEU 6 1 n LEU 7 1 n ILE 8 1 n GLY 9 1 n ALA 10 1 n SER 11 1 n LEU 12 1 n GLY 13 1 n VAL 14 1 n ALA 15 1 n LEU 16 1 n SER 17 1 n SER 18 1 n THR 19 1 n ALA 20 1 n PHE 21 1 n THR 22 1 n ALA 23 1 n ALA 24 1 n LEU 25 1 n ALA 26 # _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 @ 2025-07-04 16:24:32)" _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 95.24 _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 88.31 1 1 A ARG 2 2 85.49 1 2 A LEU 3 2 93.68 1 3 A SER 4 2 96.95 1 4 A ARG 5 2 89.28 1 5 A LEU 6 2 96.17 1 6 A LEU 7 2 96.30 1 7 A ILE 8 2 96.35 1 8 A GLY 9 2 98.11 1 9 A ALA 10 2 98.20 1 10 A SER 11 2 97.24 1 11 A LEU 12 2 96.61 1 12 A GLY 13 2 98.47 1 13 A VAL 14 2 98.08 1 14 A ALA 15 2 98.59 1 15 A LEU 16 2 96.81 1 16 A SER 17 2 97.05 1 17 A SER 18 2 96.96 1 18 A THR 19 2 97.21 1 19 A ALA 20 2 98.71 1 20 A PHE 21 2 96.83 1 21 A THR 22 2 97.47 1 22 A ALA 23 2 98.48 1 23 A ALA 24 2 98.45 1 24 A LEU 25 2 95.24 1 25 A ALA 26 2 91.26 1 26 # _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 ARG . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n PHE . 21 A 21 A 22 1 n THR . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n ALA . 26 A 26 # _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 ? -18.336 3.859 -1.479 1.00 94.21 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.095 3.196 -1.033 1.00 94.63 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.217 4.179 -0.274 1.00 95.49 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.773 5.171 -0.842 1.00 92.83 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.313 2.660 -2.227 1.00 90.50 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.091 1.591 -2.977 1.00 86.07 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.185 0.977 -4.411 1.00 82.09 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.343 -0.234 -5.021 1.00 70.65 1 A 1 ATOM 9 N N . ARG A 1 2 ? -16.022 3.920 0.994 1.00 93.31 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -15.200 4.801 1.825 1.00 94.93 2 A 1 ATOM 11 C C . ARG A 1 2 ? -14.114 4.009 2.539 1.00 96.69 2 A 1 ATOM 12 O O . ARG A 1 2 ? -12.954 4.027 2.136 1.00 94.88 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -16.083 5.525 2.841 1.00 92.22 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -16.974 6.579 2.202 1.00 85.80 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -16.150 7.780 1.755 1.00 84.83 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -16.982 8.843 1.209 1.00 78.85 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -16.517 9.992 0.743 1.00 77.89 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -15.222 10.228 0.739 1.00 70.72 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -17.350 10.903 0.282 1.00 70.30 2 A 1 ATOM 20 N N . LEU A 1 3 ? -14.502 3.323 3.609 1.00 96.83 3 A 1 ATOM 21 C CA . LEU A 1 3 ? -13.546 2.542 4.387 1.00 97.13 3 A 1 ATOM 22 C C . LEU A 1 3 ? -13.003 1.369 3.583 1.00 97.69 3 A 1 ATOM 23 O O . LEU A 1 3 ? -11.823 1.030 3.683 1.00 96.83 3 A 1 ATOM 24 C CB . LEU A 1 3 ? -14.212 2.060 5.676 1.00 96.32 3 A 1 ATOM 25 C CG . LEU A 1 3 ? -15.423 1.157 5.442 1.00 91.89 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? -15.002 -0.308 5.454 1.00 87.66 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? -16.468 1.397 6.517 1.00 85.12 3 A 1 ATOM 28 N N . SER A 1 4 ? -13.872 0.752 2.777 1.00 98.10 4 A 1 ATOM 29 C CA . SER A 1 4 ? -13.459 -0.392 1.967 1.00 98.17 4 A 1 ATOM 30 C C . SER A 1 4 ? -12.371 0.007 0.985 1.00 98.30 4 A 1 ATOM 31 O O . SER A 1 4 ? -11.379 -0.699 0.806 1.00 97.84 4 A 1 ATOM 32 C CB . SER A 1 4 ? -14.656 -0.965 1.209 1.00 97.62 4 A 1 ATOM 33 O OG . SER A 1 4 ? -15.206 0.005 0.348 1.00 91.66 4 A 1 ATOM 34 N N . ARG A 1 5 ? -12.557 1.156 0.348 1.00 97.20 5 A 1 ATOM 35 C CA . ARG A 1 5 ? -11.580 1.639 -0.621 1.00 97.18 5 A 1 ATOM 36 C C . ARG A 1 5 ? -10.290 2.039 0.081 1.00 97.75 5 A 1 ATOM 37 O O . ARG A 1 5 ? -9.197 1.814 -0.443 1.00 96.68 5 A 1 ATOM 38 C CB . ARG A 1 5 ? -12.149 2.819 -1.399 1.00 96.20 5 A 1 ATOM 39 C CG . ARG A 1 5 ? -11.388 3.039 -2.689 1.00 92.75 5 A 1 ATOM 40 C CD . ARG A 1 5 ? -12.019 4.134 -3.525 1.00 89.69 5 A 1 ATOM 41 N NE . ARG A 1 5 ? -11.348 4.250 -4.817 1.00 84.28 5 A 1 ATOM 42 C CZ . ARG A 1 5 ? -11.569 5.218 -5.690 1.00 82.00 5 A 1 ATOM 43 N NH1 . ARG A 1 5 ? -12.442 6.167 -5.422 1.00 74.11 5 A 1 ATOM 44 N NH2 . ARG A 1 5 ? -10.914 5.239 -6.841 1.00 74.21 5 A 1 ATOM 45 N N . LEU A 1 6 ? -10.416 2.622 1.251 1.00 97.85 6 A 1 ATOM 46 C CA . LEU A 1 6 ? -9.245 3.013 2.032 1.00 97.88 6 A 1 ATOM 47 C C . LEU A 1 6 ? -8.431 1.789 2.424 1.00 98.19 6 A 1 ATOM 48 O O . LEU A 1 6 ? -7.204 1.807 2.362 1.00 97.76 6 A 1 ATOM 49 C CB . LEU A 1 6 ? -9.681 3.769 3.284 1.00 97.80 6 A 1 ATOM 50 C CG . LEU A 1 6 ? -10.166 5.185 2.998 1.00 95.47 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? -10.787 5.790 4.250 1.00 92.41 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? -9.015 6.057 2.525 1.00 92.01 6 A 1 ATOM 53 N N . LEU A 1 7 ? -9.123 0.734 2.816 1.00 97.97 7 A 1 ATOM 54 C CA . LEU A 1 7 ? -8.455 -0.508 3.198 1.00 98.09 7 A 1 ATOM 55 C C . LEU A 1 7 ? -7.700 -1.098 2.016 1.00 98.24 7 A 1 ATOM 56 O O . LEU A 1 7 ? -6.549 -1.518 2.147 1.00 98.06 7 A 1 ATOM 57 C CB . LEU A 1 7 ? -9.483 -1.518 3.708 1.00 97.93 7 A 1 ATOM 58 C CG . LEU A 1 7 ? -10.091 -1.141 5.054 1.00 95.51 7 A 1 ATOM 59 C CD1 . LEU A 1 7 ? -11.256 -2.059 5.386 1.00 92.51 7 A 1 ATOM 60 C CD2 . LEU A 1 7 ? -9.039 -1.218 6.151 1.00 92.06 7 A 1 ATOM 61 N N . ILE A 1 8 ? -8.359 -1.123 0.859 1.00 98.21 8 A 1 ATOM 62 C CA . ILE A 1 8 ? -7.733 -1.645 -0.352 1.00 97.95 8 A 1 ATOM 63 C C . ILE A 1 8 ? -6.541 -0.777 -0.735 1.00 97.97 8 A 1 ATOM 64 O O . ILE A 1 8 ? -5.462 -1.287 -1.052 1.00 97.67 8 A 1 ATOM 65 C CB . ILE A 1 8 ? -8.748 -1.697 -1.506 1.00 97.71 8 A 1 ATOM 66 C CG1 . ILE A 1 8 ? -9.865 -2.698 -1.185 1.00 95.62 8 A 1 ATOM 67 C CG2 . ILE A 1 8 ? -8.046 -2.094 -2.807 1.00 94.95 8 A 1 ATOM 68 C CD1 . ILE A 1 8 ? -11.049 -2.586 -2.129 1.00 90.73 8 A 1 ATOM 69 N N . GLY A 1 9 ? -6.743 0.528 -0.711 1.00 98.16 9 A 1 ATOM 70 C CA . GLY A 1 9 ? -5.669 1.453 -1.050 1.00 97.95 9 A 1 ATOM 71 C C . GLY A 1 9 ? -4.503 1.330 -0.095 1.00 98.25 9 A 1 ATOM 72 O O . GLY A 1 9 ? -3.340 1.350 -0.506 1.00 98.09 9 A 1 ATOM 73 N N . ALA A 1 10 ? -4.801 1.195 1.190 1.00 98.32 10 A 1 ATOM 74 C CA . ALA A 1 10 ? -3.766 1.046 2.205 1.00 98.29 10 A 1 ATOM 75 C C . ALA A 1 10 ? -2.970 -0.231 1.978 1.00 98.48 10 A 1 ATOM 76 O O . ALA A 1 10 ? -1.739 -0.227 2.058 1.00 98.08 10 A 1 ATOM 77 C CB . ALA A 1 10 ? -4.398 1.033 3.590 1.00 97.81 10 A 1 ATOM 78 N N . SER A 1 11 ? -3.671 -1.319 1.688 1.00 98.54 11 A 1 ATOM 79 C CA . SER A 1 11 ? -3.026 -2.604 1.433 1.00 98.49 11 A 1 ATOM 80 C C . SER A 1 11 ? -2.113 -2.520 0.222 1.00 98.58 11 A 1 ATOM 81 O O . SER A 1 11 ? -0.984 -3.005 0.249 1.00 98.34 11 A 1 ATOM 82 C CB . SER A 1 11 ? -4.077 -3.690 1.215 1.00 98.09 11 A 1 ATOM 83 O OG . SER A 1 11 ? -4.857 -3.859 2.382 1.00 91.41 11 A 1 ATOM 84 N N . LEU A 1 12 ? -2.608 -1.891 -0.837 1.00 98.50 12 A 1 ATOM 85 C CA . LEU A 1 12 ? -1.825 -1.735 -2.058 1.00 98.44 12 A 1 ATOM 86 C C . LEU A 1 12 ? -0.602 -0.867 -1.806 1.00 98.57 12 A 1 ATOM 87 O O . LEU A 1 12 ? 0.492 -1.169 -2.277 1.00 98.25 12 A 1 ATOM 88 C CB . LEU A 1 12 ? -2.691 -1.115 -3.152 1.00 98.12 12 A 1 ATOM 89 C CG . LEU A 1 12 ? -3.769 -2.053 -3.695 1.00 95.66 12 A 1 ATOM 90 C CD1 . LEU A 1 12 ? -4.721 -1.292 -4.603 1.00 92.74 12 A 1 ATOM 91 C CD2 . LEU A 1 12 ? -3.134 -3.210 -4.449 1.00 92.62 12 A 1 ATOM 92 N N . GLY A 1 13 ? -0.793 0.207 -1.064 1.00 98.43 13 A 1 ATOM 93 C CA . GLY A 1 13 ? 0.310 1.100 -0.739 1.00 98.38 13 A 1 ATOM 94 C C . GLY A 1 13 ? 1.395 0.390 0.040 1.00 98.58 13 A 1 ATOM 95 O O . GLY A 1 13 ? 2.582 0.515 -0.268 1.00 98.48 13 A 1 ATOM 96 N N . VAL A 1 14 ? 0.995 -0.364 1.047 1.00 98.72 14 A 1 ATOM 97 C CA . VAL A 1 14 ? 1.947 -1.119 1.862 1.00 98.69 14 A 1 ATOM 98 C C . VAL A 1 14 ? 2.650 -2.169 1.019 1.00 98.77 14 A 1 ATOM 99 O O . VAL A 1 14 ? 3.868 -2.347 1.120 1.00 98.64 14 A 1 ATOM 100 C CB . VAL A 1 14 ? 1.236 -1.787 3.045 1.00 98.42 14 A 1 ATOM 101 C CG1 . VAL A 1 14 ? 2.194 -2.687 3.807 1.00 96.57 14 A 1 ATOM 102 C CG2 . VAL A 1 14 ? 0.663 -0.731 3.967 1.00 96.76 14 A 1 ATOM 103 N N . ALA A 1 15 ? 1.887 -2.871 0.191 1.00 98.69 15 A 1 ATOM 104 C CA . ALA A 1 15 ? 2.445 -3.907 -0.673 1.00 98.65 15 A 1 ATOM 105 C C . ALA A 1 15 ? 3.477 -3.322 -1.629 1.00 98.72 15 A 1 ATOM 106 O O . ALA A 1 15 ? 4.560 -3.882 -1.806 1.00 98.48 15 A 1 ATOM 107 C CB . ALA A 1 15 ? 1.329 -4.588 -1.458 1.00 98.42 15 A 1 ATOM 108 N N . LEU A 1 16 ? 3.145 -2.192 -2.235 1.00 98.63 16 A 1 ATOM 109 C CA . LEU A 1 16 ? 4.051 -1.539 -3.173 1.00 98.55 16 A 1 ATOM 110 C C . LEU A 1 16 ? 5.310 -1.070 -2.465 1.00 98.61 16 A 1 ATOM 111 O O . LEU A 1 16 ? 6.420 -1.248 -2.969 1.00 98.40 16 A 1 ATOM 112 C CB . LEU A 1 16 ? 3.350 -0.356 -3.829 1.00 98.32 16 A 1 ATOM 113 C CG . LEU A 1 16 ? 2.275 -0.764 -4.834 1.00 95.60 16 A 1 ATOM 114 C CD1 . LEU A 1 16 ? 1.455 0.443 -5.248 1.00 93.19 16 A 1 ATOM 115 C CD2 . LEU A 1 16 ? 2.912 -1.411 -6.058 1.00 93.15 16 A 1 ATOM 116 N N . SER A 1 17 ? 5.144 -0.479 -1.295 1.00 98.56 17 A 1 ATOM 117 C CA . SER A 1 17 ? 6.276 0.003 -0.516 1.00 98.47 17 A 1 ATOM 118 C C . SER A 1 17 ? 7.186 -1.149 -0.119 1.00 98.55 17 A 1 ATOM 119 O O . SER A 1 17 ? 8.409 -1.059 -0.238 1.00 98.21 17 A 1 ATOM 120 C CB . SER A 1 17 ? 5.789 0.728 0.729 1.00 97.96 17 A 1 ATOM 121 O OG . SER A 1 17 ? 5.045 1.878 0.369 1.00 90.57 17 A 1 ATOM 122 N N . SER A 1 18 ? 6.583 -2.236 0.344 1.00 98.60 18 A 1 ATOM 123 C CA . SER A 1 18 ? 7.340 -3.415 0.752 1.00 98.56 18 A 1 ATOM 124 C C . SER A 1 18 ? 8.078 -4.021 -0.431 1.00 98.69 18 A 1 ATOM 125 O O . SER A 1 18 ? 9.245 -4.401 -0.318 1.00 98.44 18 A 1 ATOM 126 C CB . SER A 1 18 ? 6.411 -4.458 1.361 1.00 98.15 18 A 1 ATOM 127 O OG . SER A 1 18 ? 5.799 -3.947 2.525 1.00 89.31 18 A 1 ATOM 128 N N . THR A 1 19 ? 7.397 -4.096 -1.572 1.00 98.61 19 A 1 ATOM 129 C CA . THR A 1 19 ? 7.996 -4.652 -2.784 1.00 98.52 19 A 1 ATOM 130 C C . THR A 1 19 ? 9.186 -3.815 -3.226 1.00 98.69 19 A 1 ATOM 131 O O . THR A 1 19 ? 10.251 -4.351 -3.530 1.00 98.54 19 A 1 ATOM 132 C CB . THR A 1 19 ? 6.974 -4.709 -3.919 1.00 98.09 19 A 1 ATOM 133 O OG1 . THR A 1 19 ? 5.869 -5.515 -3.516 1.00 94.49 19 A 1 ATOM 134 C CG2 . THR A 1 19 ? 7.593 -5.308 -5.170 1.00 93.56 19 A 1 ATOM 135 N N . ALA A 1 20 ? 9.001 -2.501 -3.264 1.00 98.74 20 A 1 ATOM 136 C CA . ALA A 1 20 ? 10.074 -1.599 -3.670 1.00 98.74 20 A 1 ATOM 137 C C . ALA A 1 20 ? 11.250 -1.691 -2.707 1.00 98.79 20 A 1 ATOM 138 O O . ALA A 1 20 ? 12.407 -1.735 -3.126 1.00 98.69 20 A 1 ATOM 139 C CB . ALA A 1 20 ? 9.557 -0.170 -3.728 1.00 98.58 20 A 1 ATOM 140 N N . PHE A 1 21 ? 10.942 -1.715 -1.417 1.00 98.70 21 A 1 ATOM 141 C CA . PHE A 1 21 ? 11.972 -1.817 -0.389 1.00 98.65 21 A 1 ATOM 142 C C . PHE A 1 21 ? 12.749 -3.118 -0.524 1.00 98.73 21 A 1 ATOM 143 O O . PHE A 1 21 ? 13.983 -3.126 -0.492 1.00 98.64 21 A 1 ATOM 144 C CB . PHE A 1 21 ? 11.321 -1.734 0.986 1.00 98.47 21 A 1 ATOM 145 C CG . PHE A 1 21 ? 12.316 -1.815 2.113 1.00 97.31 21 A 1 ATOM 146 C CD1 . PHE A 1 21 ? 13.144 -0.743 2.393 1.00 95.63 21 A 1 ATOM 147 C CD2 . PHE A 1 21 ? 12.407 -2.955 2.889 1.00 95.73 21 A 1 ATOM 148 C CE1 . PHE A 1 21 ? 14.056 -0.808 3.431 1.00 94.61 21 A 1 ATOM 149 C CE2 . PHE A 1 21 ? 13.319 -3.029 3.933 1.00 94.19 21 A 1 ATOM 150 C CZ . PHE A 1 21 ? 14.146 -1.956 4.202 1.00 94.46 21 A 1 ATOM 151 N N . THR A 1 22 ? 12.028 -4.213 -0.676 1.00 98.67 22 A 1 ATOM 152 C CA . THR A 1 22 ? 12.658 -5.525 -0.824 1.00 98.60 22 A 1 ATOM 153 C C . THR A 1 22 ? 13.479 -5.593 -2.102 1.00 98.70 22 A 1 ATOM 154 O O . THR A 1 22 ? 14.604 -6.090 -2.101 1.00 98.59 22 A 1 ATOM 155 C CB . THR A 1 22 ? 11.604 -6.633 -0.850 1.00 98.25 22 A 1 ATOM 156 O OG1 . THR A 1 22 ? 10.822 -6.569 0.340 1.00 95.29 22 A 1 ATOM 157 C CG2 . THR A 1 22 ? 12.264 -7.996 -0.937 1.00 94.20 22 A 1 ATOM 158 N N . ALA A 1 23 ? 12.917 -5.086 -3.196 1.00 98.62 23 A 1 ATOM 159 C CA . ALA A 1 23 ? 13.601 -5.096 -4.484 1.00 98.53 23 A 1 ATOM 160 C C . ALA A 1 23 ? 14.882 -4.276 -4.427 1.00 98.63 23 A 1 ATOM 161 O O . ALA A 1 23 ? 15.895 -4.651 -5.015 1.00 98.41 23 A 1 ATOM 162 C CB . ALA A 1 23 ? 12.683 -4.549 -5.569 1.00 98.22 23 A 1 ATOM 163 N N . ALA A 1 24 ? 14.836 -3.157 -3.722 1.00 98.56 24 A 1 ATOM 164 C CA . ALA A 1 24 ? 16.006 -2.293 -3.596 1.00 98.52 24 A 1 ATOM 165 C C . ALA A 1 24 ? 17.118 -2.978 -2.810 1.00 98.60 24 A 1 ATOM 166 O O . ALA A 1 24 ? 18.292 -2.878 -3.165 1.00 98.29 24 A 1 ATOM 167 C CB . ALA A 1 24 ? 15.617 -0.986 -2.918 1.00 98.28 24 A 1 ATOM 168 N N . LEU A 1 25 ? 16.742 -3.655 -1.735 1.00 98.28 25 A 1 ATOM 169 C CA . LEU A 1 25 ? 17.717 -4.345 -0.897 1.00 98.07 25 A 1 ATOM 170 C C . LEU A 1 25 ? 18.210 -5.632 -1.545 1.00 98.09 25 A 1 ATOM 171 O O . LEU A 1 25 ? 19.408 -5.917 -1.556 1.00 97.31 25 A 1 ATOM 172 C CB . LEU A 1 25 ? 17.096 -4.655 0.463 1.00 97.33 25 A 1 ATOM 173 C CG . LEU A 1 25 ? 16.825 -3.420 1.314 1.00 94.01 25 A 1 ATOM 174 C CD1 . LEU A 1 25 ? 16.074 -3.816 2.575 1.00 90.62 25 A 1 ATOM 175 C CD2 . LEU A 1 25 ? 18.126 -2.723 1.681 1.00 88.19 25 A 1 ATOM 176 N N . ALA A 1 26 ? 17.278 -6.417 -2.074 1.00 95.73 26 A 1 ATOM 177 C CA . ALA A 1 26 ? 17.611 -7.694 -2.683 1.00 94.31 26 A 1 ATOM 178 C C . ALA A 1 26 ? 16.604 -8.064 -3.766 1.00 92.87 26 A 1 ATOM 179 O O . ALA A 1 26 ? 15.416 -7.778 -3.611 1.00 90.19 26 A 1 ATOM 180 C CB . ALA A 1 26 ? 17.648 -8.782 -1.620 1.00 91.32 26 A 1 ATOM 181 O OXT . ALA A 1 26 ? 16.994 -8.681 -4.751 1.00 83.16 26 A 1 #