# 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_spkb16695 # _entry.id spkb16695 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)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 ASN 2 1 n TRP 3 1 n ASN 4 1 n GLN 5 1 n ILE 6 1 n ILE 7 1 n PHE 8 1 n ILE 9 1 n SER 10 1 n LEU 11 1 n ILE 12 1 n ALA 13 1 n THR 14 1 n VAL 15 1 n LEU 16 1 n ILE 17 1 n LEU 18 1 n ALA 19 1 n ILE 20 1 n ALA 21 1 n ASN 22 1 n GLU 23 1 n ALA 24 1 n GLU 25 1 n SER 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 @ 2025-07-03 00:33:08)" _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 93.71 _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 83.56 1 1 A ASN 2 2 91.56 1 2 A TRP 3 2 88.79 1 3 A ASN 4 2 94.58 1 4 A GLN 5 2 93.67 1 5 A ILE 6 2 96.99 1 6 A ILE 7 2 97.22 1 7 A PHE 8 2 94.63 1 8 A ILE 9 2 96.53 1 9 A SER 10 2 96.19 1 10 A LEU 11 2 93.40 1 11 A ILE 12 2 96.40 1 12 A ALA 13 2 98.23 1 13 A THR 14 2 96.63 1 14 A VAL 15 2 97.83 1 15 A LEU 16 2 94.04 1 16 A ILE 17 2 97.20 1 17 A LEU 18 2 95.25 1 18 A ALA 19 2 98.14 1 19 A ILE 20 2 97.04 1 20 A ALA 21 2 97.81 1 21 A ASN 22 2 93.16 1 22 A GLU 23 2 89.74 1 23 A ALA 24 2 96.32 1 24 A GLU 25 2 86.29 1 25 A SER 26 2 86.52 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 ASN . 2 A 2 A 3 1 n TRP . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n ASN . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n SER . 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 ? -16.763 -0.685 6.544 1.00 88.17 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.893 -0.381 5.384 1.00 91.39 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.318 -1.274 4.228 1.00 93.11 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.524 -2.465 4.458 1.00 89.76 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.428 -0.598 5.765 1.00 84.52 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.467 0.036 4.759 1.00 79.33 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.932 0.635 5.510 1.00 74.04 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.085 -0.901 5.905 1.00 68.17 1 A 1 ATOM 9 N N . ASN A 1 2 ? -16.521 -0.745 3.018 1.00 94.47 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -16.910 -1.552 1.861 1.00 96.45 2 A 1 ATOM 11 C C . ASN A 1 2 ? -15.668 -2.122 1.152 1.00 97.28 2 A 1 ATOM 12 O O . ASN A 1 2 ? -14.539 -1.699 1.406 1.00 96.71 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -17.864 -0.748 0.952 1.00 94.05 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -17.216 0.422 0.235 1.00 89.09 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -16.049 0.424 -0.075 1.00 82.06 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -17.982 1.444 -0.077 1.00 82.40 2 A 1 ATOM 17 N N . TRP A 1 3 ? -15.869 -3.111 0.257 1.00 97.65 3 A 1 ATOM 18 C CA . TRP A 1 3 ? -14.776 -3.768 -0.469 1.00 97.89 3 A 1 ATOM 19 C C . TRP A 1 3 ? -13.925 -2.790 -1.283 1.00 98.21 3 A 1 ATOM 20 O O . TRP A 1 3 ? -12.700 -2.903 -1.282 1.00 97.82 3 A 1 ATOM 21 C CB . TRP A 1 3 ? -15.361 -4.860 -1.375 1.00 97.18 3 A 1 ATOM 22 C CG . TRP A 1 3 ? -15.700 -6.116 -0.644 1.00 92.48 3 A 1 ATOM 23 C CD1 . TRP A 1 3 ? -16.938 -6.579 -0.352 1.00 85.47 3 A 1 ATOM 24 C CD2 . TRP A 1 3 ? -14.766 -7.092 -0.109 1.00 88.09 3 A 1 ATOM 25 N NE1 . TRP A 1 3 ? -16.835 -7.779 0.327 1.00 83.05 3 A 1 ATOM 26 C CE2 . TRP A 1 3 ? -15.515 -8.138 0.498 1.00 86.86 3 A 1 ATOM 27 C CE3 . TRP A 1 3 ? -13.358 -7.197 -0.087 1.00 77.72 3 A 1 ATOM 28 C CZ2 . TRP A 1 3 ? -14.897 -9.246 1.106 1.00 82.56 3 A 1 ATOM 29 C CZ3 . TRP A 1 3 ? -12.741 -8.300 0.520 1.00 79.59 3 A 1 ATOM 30 C CH2 . TRP A 1 3 ? -13.503 -9.316 1.111 1.00 78.45 3 A 1 ATOM 31 N N . ASN A 1 4 ? -14.540 -1.784 -1.915 1.00 97.85 4 A 1 ATOM 32 C CA . ASN A 1 4 ? -13.817 -0.781 -2.695 1.00 98.07 4 A 1 ATOM 33 C C . ASN A 1 4 ? -12.868 0.046 -1.817 1.00 98.26 4 A 1 ATOM 34 O O . ASN A 1 4 ? -11.750 0.342 -2.231 1.00 98.02 4 A 1 ATOM 35 C CB . ASN A 1 4 ? -14.823 0.129 -3.420 1.00 97.51 4 A 1 ATOM 36 C CG . ASN A 1 4 ? -15.636 -0.596 -4.479 1.00 93.08 4 A 1 ATOM 37 O OD1 . ASN A 1 4 ? -15.338 -1.694 -4.897 1.00 87.76 4 A 1 ATOM 38 N ND2 . ASN A 1 4 ? -16.706 0.010 -4.944 1.00 86.10 4 A 1 ATOM 39 N N . GLN A 1 5 ? -13.277 0.386 -0.591 1.00 98.22 5 A 1 ATOM 40 C CA . GLN A 1 5 ? -12.426 1.087 0.366 1.00 98.34 5 A 1 ATOM 41 C C . GLN A 1 5 ? -11.259 0.209 0.824 1.00 98.48 5 A 1 ATOM 42 O O . GLN A 1 5 ? -10.138 0.703 0.921 1.00 98.26 5 A 1 ATOM 43 C CB . GLN A 1 5 ? -13.255 1.537 1.570 1.00 98.13 5 A 1 ATOM 44 C CG . GLN A 1 5 ? -14.198 2.699 1.232 1.00 95.12 5 A 1 ATOM 45 C CD . GLN A 1 5 ? -15.168 2.994 2.369 1.00 90.54 5 A 1 ATOM 46 O OE1 . GLN A 1 5 ? -15.712 2.112 3.013 1.00 84.83 5 A 1 ATOM 47 N NE2 . GLN A 1 5 ? -15.432 4.249 2.656 1.00 81.07 5 A 1 ATOM 48 N N . ILE A 1 6 ? -11.487 -1.082 1.071 1.00 98.40 6 A 1 ATOM 49 C CA . ILE A 1 6 ? -10.431 -2.028 1.456 1.00 98.41 6 A 1 ATOM 50 C C . ILE A 1 6 ? -9.387 -2.136 0.340 1.00 98.48 6 A 1 ATOM 51 O O . ILE A 1 6 ? -8.191 -2.000 0.606 1.00 98.33 6 A 1 ATOM 52 C CB . ILE A 1 6 ? -11.028 -3.407 1.810 1.00 98.22 6 A 1 ATOM 53 C CG1 . ILE A 1 6 ? -11.913 -3.298 3.071 1.00 96.98 6 A 1 ATOM 54 C CG2 . ILE A 1 6 ? -9.915 -4.446 2.028 1.00 96.50 6 A 1 ATOM 55 C CD1 . ILE A 1 6 ? -12.743 -4.549 3.361 1.00 90.59 6 A 1 ATOM 56 N N . ILE A 1 7 ? -9.825 -2.323 -0.904 1.00 98.46 7 A 1 ATOM 57 C CA . ILE A 1 7 ? -8.937 -2.407 -2.070 1.00 98.42 7 A 1 ATOM 58 C C . ILE A 1 7 ? -8.137 -1.109 -2.224 1.00 98.47 7 A 1 ATOM 59 O O . ILE A 1 7 ? -6.916 -1.154 -2.381 1.00 98.43 7 A 1 ATOM 60 C CB . ILE A 1 7 ? -9.750 -2.738 -3.340 1.00 98.28 7 A 1 ATOM 61 C CG1 . ILE A 1 7 ? -10.317 -4.176 -3.247 1.00 97.23 7 A 1 ATOM 62 C CG2 . ILE A 1 7 ? -8.890 -2.589 -4.610 1.00 96.71 7 A 1 ATOM 63 C CD1 . ILE A 1 7 ? -11.392 -4.484 -4.292 1.00 91.76 7 A 1 ATOM 64 N N . PHE A 1 8 ? -8.796 0.047 -2.123 1.00 98.28 8 A 1 ATOM 65 C CA . PHE A 1 8 ? -8.149 1.348 -2.275 1.00 98.34 8 A 1 ATOM 66 C C . PHE A 1 8 ? -7.071 1.593 -1.208 1.00 98.47 8 A 1 ATOM 67 O O . PHE A 1 8 ? -5.949 1.976 -1.538 1.00 98.45 8 A 1 ATOM 68 C CB . PHE A 1 8 ? -9.229 2.435 -2.252 1.00 98.09 8 A 1 ATOM 69 C CG . PHE A 1 8 ? -8.692 3.814 -2.558 1.00 95.45 8 A 1 ATOM 70 C CD1 . PHE A 1 8 ? -8.557 4.768 -1.539 1.00 91.37 8 A 1 ATOM 71 C CD2 . PHE A 1 8 ? -8.328 4.139 -3.874 1.00 91.97 8 A 1 ATOM 72 C CE1 . PHE A 1 8 ? -8.064 6.049 -1.835 1.00 89.93 8 A 1 ATOM 73 C CE2 . PHE A 1 8 ? -7.829 5.417 -4.172 1.00 90.65 8 A 1 ATOM 74 C CZ . PHE A 1 8 ? -7.698 6.375 -3.154 1.00 89.88 8 A 1 ATOM 75 N N . ILE A 1 9 ? -7.377 1.312 0.063 1.00 98.19 9 A 1 ATOM 76 C CA . ILE A 1 9 ? -6.416 1.450 1.166 1.00 98.15 9 A 1 ATOM 77 C C . ILE A 1 9 ? -5.238 0.486 0.977 1.00 98.29 9 A 1 ATOM 78 O O . ILE A 1 9 ? -4.087 0.882 1.158 1.00 98.28 9 A 1 ATOM 79 C CB . ILE A 1 9 ? -7.123 1.240 2.519 1.00 97.91 9 A 1 ATOM 80 C CG1 . ILE A 1 9 ? -8.093 2.414 2.791 1.00 96.12 9 A 1 ATOM 81 C CG2 . ILE A 1 9 ? -6.112 1.118 3.673 1.00 95.50 9 A 1 ATOM 82 C CD1 . ILE A 1 9 ? -9.079 2.149 3.930 1.00 89.78 9 A 1 ATOM 83 N N . SER A 1 10 ? -5.500 -0.757 0.575 1.00 98.25 10 A 1 ATOM 84 C CA . SER A 1 10 ? -4.450 -1.750 0.320 1.00 98.27 10 A 1 ATOM 85 C C . SER A 1 10 ? -3.519 -1.307 -0.812 1.00 98.48 10 A 1 ATOM 86 O O . SER A 1 10 ? -2.304 -1.471 -0.709 1.00 98.27 10 A 1 ATOM 87 C CB . SER A 1 10 ? -5.062 -3.109 -0.036 1.00 97.79 10 A 1 ATOM 88 O OG . SER A 1 10 ? -5.898 -3.574 1.005 1.00 86.06 10 A 1 ATOM 89 N N . LEU A 1 11 ? -4.066 -0.696 -1.863 1.00 98.21 11 A 1 ATOM 90 C CA . LEU A 1 11 ? -3.285 -0.191 -2.988 1.00 98.18 11 A 1 ATOM 91 C C . LEU A 1 11 ? -2.378 0.973 -2.564 1.00 98.42 11 A 1 ATOM 92 O O . LEU A 1 11 ? -1.189 0.967 -2.880 1.00 98.36 11 A 1 ATOM 93 C CB . LEU A 1 11 ? -4.255 0.176 -4.126 1.00 97.84 11 A 1 ATOM 94 C CG . LEU A 1 11 ? -3.564 0.220 -5.500 1.00 86.13 11 A 1 ATOM 95 C CD1 . LEU A 1 11 ? -4.344 -0.621 -6.514 1.00 83.50 11 A 1 ATOM 96 C CD2 . LEU A 1 11 ? -3.467 1.645 -6.030 1.00 86.54 11 A 1 ATOM 97 N N . ILE A 1 12 ? -2.898 1.924 -1.786 1.00 98.44 12 A 1 ATOM 98 C CA . ILE A 1 12 ? -2.100 3.028 -1.232 1.00 98.40 12 A 1 ATOM 99 C C . ILE A 1 12 ? -0.981 2.489 -0.334 1.00 98.47 12 A 1 ATOM 100 O O . ILE A 1 12 ? 0.165 2.917 -0.465 1.00 98.37 12 A 1 ATOM 101 C CB . ILE A 1 12 ? -2.999 4.023 -0.471 1.00 98.17 12 A 1 ATOM 102 C CG1 . ILE A 1 12 ? -3.903 4.779 -1.471 1.00 96.06 12 A 1 ATOM 103 C CG2 . ILE A 1 12 ? -2.163 5.030 0.344 1.00 95.23 12 A 1 ATOM 104 C CD1 . ILE A 1 12 ? -4.983 5.619 -0.802 1.00 88.09 12 A 1 ATOM 105 N N . ALA A 1 13 ? -1.292 1.539 0.553 1.00 98.34 13 A 1 ATOM 106 C CA . ALA A 1 13 ? -0.298 0.938 1.439 1.00 98.37 13 A 1 ATOM 107 C C . ALA A 1 13 ? 0.822 0.246 0.643 1.00 98.43 13 A 1 ATOM 108 O O . ALA A 1 13 ? 1.997 0.425 0.959 1.00 98.02 13 A 1 ATOM 109 C CB . ALA A 1 13 ? -1.009 -0.038 2.384 1.00 98.01 13 A 1 ATOM 110 N N . THR A 1 14 ? 0.485 -0.478 -0.422 1.00 98.53 14 A 1 ATOM 111 C CA . THR A 1 14 ? 1.471 -1.126 -1.298 1.00 98.54 14 A 1 ATOM 112 C C . THR A 1 14 ? 2.377 -0.099 -1.977 1.00 98.64 14 A 1 ATOM 113 O O . THR A 1 14 ? 3.595 -0.262 -1.960 1.00 98.31 14 A 1 ATOM 114 C CB . THR A 1 14 ? 0.775 -1.991 -2.357 1.00 98.19 14 A 1 ATOM 115 O OG1 . THR A 1 14 ? -0.035 -2.962 -1.739 1.00 92.90 14 A 1 ATOM 116 C CG2 . THR A 1 14 ? 1.771 -2.748 -3.234 1.00 91.30 14 A 1 ATOM 117 N N . VAL A 1 15 ? 1.819 0.975 -2.527 1.00 98.53 15 A 1 ATOM 118 C CA . VAL A 1 15 ? 2.604 2.046 -3.160 1.00 98.50 15 A 1 ATOM 119 C C . VAL A 1 15 ? 3.547 2.704 -2.152 1.00 98.53 15 A 1 ATOM 120 O O . VAL A 1 15 ? 4.713 2.932 -2.469 1.00 98.15 15 A 1 ATOM 121 C CB . VAL A 1 15 ? 1.676 3.086 -3.817 1.00 98.19 15 A 1 ATOM 122 C CG1 . VAL A 1 15 ? 2.435 4.316 -4.320 1.00 96.42 15 A 1 ATOM 123 C CG2 . VAL A 1 15 ? 0.958 2.473 -5.024 1.00 96.49 15 A 1 ATOM 124 N N . LEU A 1 16 ? 3.077 2.953 -0.930 1.00 98.41 16 A 1 ATOM 125 C CA . LEU A 1 16 ? 3.893 3.545 0.126 1.00 98.26 16 A 1 ATOM 126 C C . LEU A 1 16 ? 5.057 2.626 0.525 1.00 98.29 16 A 1 ATOM 127 O O . LEU A 1 16 ? 6.187 3.090 0.647 1.00 97.98 16 A 1 ATOM 128 C CB . LEU A 1 16 ? 2.984 3.872 1.322 1.00 97.94 16 A 1 ATOM 129 C CG . LEU A 1 16 ? 3.704 4.616 2.459 1.00 88.63 16 A 1 ATOM 130 C CD1 . LEU A 1 16 ? 4.171 6.005 2.025 1.00 85.20 16 A 1 ATOM 131 C CD2 . LEU A 1 16 ? 2.751 4.775 3.644 1.00 87.59 16 A 1 ATOM 132 N N . ILE A 1 17 ? 4.806 1.325 0.696 1.00 98.58 17 A 1 ATOM 133 C CA . ILE A 1 17 ? 5.850 0.341 1.018 1.00 98.54 17 A 1 ATOM 134 C C . ILE A 1 17 ? 6.893 0.280 -0.104 1.00 98.46 17 A 1 ATOM 135 O O . ILE A 1 17 ? 8.091 0.284 0.180 1.00 98.17 17 A 1 ATOM 136 C CB . ILE A 1 17 ? 5.220 -1.042 1.296 1.00 98.39 17 A 1 ATOM 137 C CG1 . ILE A 1 17 ? 4.423 -1.013 2.622 1.00 97.16 17 A 1 ATOM 138 C CG2 . ILE A 1 17 ? 6.297 -2.146 1.362 1.00 96.58 17 A 1 ATOM 139 C CD1 . ILE A 1 17 ? 3.465 -2.194 2.784 1.00 91.76 17 A 1 ATOM 140 N N . LEU A 1 18 ? 6.464 0.268 -1.367 1.00 98.33 18 A 1 ATOM 141 C CA . LEU A 1 18 ? 7.375 0.262 -2.512 1.00 98.13 18 A 1 ATOM 142 C C . LEU A 1 18 ? 8.218 1.540 -2.577 1.00 98.04 18 A 1 ATOM 143 O O . LEU A 1 18 ? 9.413 1.455 -2.850 1.00 97.63 18 A 1 ATOM 144 C CB . LEU A 1 18 ? 6.576 0.084 -3.814 1.00 97.85 18 A 1 ATOM 145 C CG . LEU A 1 18 ? 5.990 -1.324 -4.024 1.00 92.77 18 A 1 ATOM 146 C CD1 . LEU A 1 18 ? 5.073 -1.315 -5.250 1.00 89.20 18 A 1 ATOM 147 C CD2 . LEU A 1 18 ? 7.075 -2.374 -4.244 1.00 90.06 18 A 1 ATOM 148 N N . ALA A 1 19 ? 7.633 2.697 -2.286 1.00 98.45 19 A 1 ATOM 149 C CA . ALA A 1 19 ? 8.368 3.959 -2.245 1.00 98.31 19 A 1 ATOM 150 C C . ALA A 1 19 ? 9.449 3.946 -1.152 1.00 98.22 19 A 1 ATOM 151 O O . ALA A 1 19 ? 10.601 4.274 -1.429 1.00 97.57 19 A 1 ATOM 152 C CB . ALA A 1 19 ? 7.365 5.105 -2.052 1.00 98.16 19 A 1 ATOM 153 N N . ILE A 1 20 ? 9.113 3.490 0.059 1.00 98.39 20 A 1 ATOM 154 C CA . ILE A 1 20 ? 10.068 3.375 1.172 1.00 98.22 20 A 1 ATOM 155 C C . ILE A 1 20 ? 11.178 2.372 0.835 1.00 97.95 20 A 1 ATOM 156 O O . ILE A 1 20 ? 12.353 2.655 1.067 1.00 97.37 20 A 1 ATOM 157 C CB . ILE A 1 20 ? 9.331 2.986 2.473 1.00 98.10 20 A 1 ATOM 158 C CG1 . ILE A 1 20 ? 8.386 4.122 2.925 1.00 96.86 20 A 1 ATOM 159 C CG2 . ILE A 1 20 ? 10.329 2.655 3.600 1.00 96.32 20 A 1 ATOM 160 C CD1 . ILE A 1 20 ? 7.367 3.688 3.982 1.00 93.14 20 A 1 ATOM 161 N N . ALA A 1 21 ? 10.821 1.211 0.270 1.00 98.41 21 A 1 ATOM 162 C CA . ALA A 1 21 ? 11.801 0.204 -0.123 1.00 98.12 21 A 1 ATOM 163 C C . ALA A 1 21 ? 12.763 0.743 -1.196 1.00 97.76 21 A 1 ATOM 164 O O . ALA A 1 21 ? 13.971 0.542 -1.087 1.00 96.83 21 A 1 ATOM 165 C CB . ALA A 1 21 ? 11.056 -1.048 -0.605 1.00 97.91 21 A 1 ATOM 166 N N . ASN A 1 22 ? 12.249 1.480 -2.176 1.00 97.97 22 A 1 ATOM 167 C CA . ASN A 1 22 ? 13.063 2.084 -3.228 1.00 97.79 22 A 1 ATOM 168 C C . ASN A 1 22 ? 14.013 3.166 -2.690 1.00 97.62 22 A 1 ATOM 169 O O . ASN A 1 22 ? 15.152 3.260 -3.144 1.00 96.53 22 A 1 ATOM 170 C CB . ASN A 1 22 ? 12.111 2.633 -4.296 1.00 97.34 22 A 1 ATOM 171 C CG . ASN A 1 22 ? 12.865 3.134 -5.507 1.00 93.09 22 A 1 ATOM 172 O OD1 . ASN A 1 22 ? 13.315 2.372 -6.337 1.00 82.45 22 A 1 ATOM 173 N ND2 . ASN A 1 22 ? 13.012 4.432 -5.648 1.00 82.48 22 A 1 ATOM 174 N N . GLU A 1 23 ? 13.580 3.966 -1.716 1.00 97.51 23 A 1 ATOM 175 C CA . GLU A 1 23 ? 14.455 4.941 -1.050 1.00 97.16 23 A 1 ATOM 176 C C . GLU A 1 23 ? 15.521 4.258 -0.185 1.00 96.71 23 A 1 ATOM 177 O O . GLU A 1 23 ? 16.664 4.712 -0.150 1.00 94.93 23 A 1 ATOM 178 C CB . GLU A 1 23 ? 13.624 5.899 -0.189 1.00 96.58 23 A 1 ATOM 179 C CG . GLU A 1 23 ? 12.861 6.926 -1.036 1.00 88.19 23 A 1 ATOM 180 C CD . GLU A 1 23 ? 12.073 7.948 -0.199 1.00 83.46 23 A 1 ATOM 181 O OE1 . GLU A 1 23 ? 11.466 8.852 -0.817 1.00 76.28 23 A 1 ATOM 182 O OE2 . GLU A 1 23 ? 12.064 7.844 1.052 1.00 76.88 23 A 1 ATOM 183 N N . ALA A 1 24 ? 15.173 3.146 0.492 1.00 97.32 24 A 1 ATOM 184 C CA . ALA A 1 24 ? 16.103 2.404 1.342 1.00 96.89 24 A 1 ATOM 185 C C . ALA A 1 24 ? 17.189 1.650 0.550 1.00 96.37 24 A 1 ATOM 186 O O . ALA A 1 24 ? 18.244 1.344 1.107 1.00 94.62 24 A 1 ATOM 187 C CB . ALA A 1 24 ? 15.294 1.444 2.220 1.00 96.38 24 A 1 ATOM 188 N N . GLU A 1 25 ? 16.942 1.347 -0.729 1.00 95.85 25 A 1 ATOM 189 C CA . GLU A 1 25 ? 17.890 0.658 -1.618 1.00 94.92 25 A 1 ATOM 190 C C . GLU A 1 25 ? 18.837 1.639 -2.349 1.00 93.38 25 A 1 ATOM 191 O O . GLU A 1 25 ? 19.782 1.210 -3.013 1.00 88.41 25 A 1 ATOM 192 C CB . GLU A 1 25 ? 17.085 -0.239 -2.577 1.00 93.07 25 A 1 ATOM 193 C CG . GLU A 1 25 ? 17.905 -1.391 -3.170 1.00 85.39 25 A 1 ATOM 194 C CD . GLU A 1 25 ? 17.041 -2.409 -3.941 1.00 79.50 25 A 1 ATOM 195 O OE1 . GLU A 1 25 ? 17.387 -3.612 -3.915 1.00 72.58 25 A 1 ATOM 196 O OE2 . GLU A 1 25 ? 16.038 -1.999 -4.567 1.00 73.54 25 A 1 ATOM 197 N N . SER A 1 26 ? 18.595 2.936 -2.220 1.00 93.42 26 A 1 ATOM 198 C CA . SER A 1 26 ? 19.392 3.998 -2.850 1.00 92.16 26 A 1 ATOM 199 C C . SER A 1 26 ? 20.527 4.512 -1.961 1.00 87.79 26 A 1 ATOM 200 O O . SER A 1 26 ? 20.369 4.517 -0.724 1.00 80.42 26 A 1 ATOM 201 C CB . SER A 1 26 ? 18.488 5.158 -3.276 1.00 88.57 26 A 1 ATOM 202 O OG . SER A 1 26 ? 17.496 4.705 -4.180 1.00 83.21 26 A 1 ATOM 203 O OXT . SER A 1 26 ? 21.556 4.948 -2.526 1.00 80.05 26 A 1 #