# 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_619 # _entry.id 619 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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" "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 LYS 3 1 n ILE 4 1 n THR 5 1 n GLN 6 1 n ALA 7 1 n ILE 8 1 n SER 9 1 n ALA 10 1 n VAL 11 1 n CYS 12 1 n LEU 13 1 n LEU 14 1 n PHE 15 1 n ALA 16 1 n LEU 17 1 n ASN 18 1 n SER 19 1 n SER 20 1 n ALA 21 1 n VAL 22 1 n ALA 23 1 n LEU 24 1 n ALA 25 # _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 @ 2025-05-30 11:08:04)" _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 92.69 _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 87.36 1 1 A ARG 2 2 82.45 1 2 A LYS 3 2 88.62 1 3 A ILE 4 2 92.29 1 4 A THR 5 2 93.01 1 5 A GLN 6 2 90.81 1 6 A ALA 7 2 97.52 1 7 A ILE 8 2 95.37 1 8 A SER 9 2 94.98 1 9 A ALA 10 2 97.55 1 10 A VAL 11 2 96.95 1 11 A CYS 12 2 96.65 1 12 A LEU 13 2 93.96 1 13 A LEU 14 2 94.35 1 14 A PHE 15 2 93.91 1 15 A ALA 16 2 97.59 1 16 A LEU 17 2 94.01 1 17 A ASN 18 2 91.97 1 18 A SER 19 2 94.56 1 19 A SER 20 2 94.17 1 20 A ALA 21 2 96.80 1 21 A VAL 22 2 95.02 1 22 A ALA 23 2 95.91 1 23 A LEU 24 2 90.12 1 24 A ALA 25 2 85.00 1 25 # _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 LYS . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ASN . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n ALA . 25 A 25 # _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 ? 0.236 -15.288 2.586 1.00 92.32 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.162 -15.068 3.707 1.00 94.15 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.500 -14.176 4.753 1.00 94.56 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.523 -12.955 4.621 1.00 91.54 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.451 -14.415 3.220 1.00 90.32 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.539 -14.417 4.281 1.00 85.38 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.025 -13.608 3.690 1.00 80.69 1 A 1 ATOM 8 C CE . MET A 1 1 ? 6.015 -13.637 5.172 1.00 69.91 1 A 1 ATOM 9 N N . ARG A 1 2 ? -0.095 -14.788 5.744 1.00 94.79 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -0.757 -14.049 6.827 1.00 95.60 2 A 1 ATOM 11 C C . ARG A 1 2 ? -1.820 -13.099 6.269 1.00 96.42 2 A 1 ATOM 12 O O . ARG A 1 2 ? -1.505 -12.135 5.579 1.00 94.65 2 A 1 ATOM 13 C CB . ARG A 1 2 ? 0.295 -13.273 7.615 1.00 93.29 2 A 1 ATOM 14 C CG . ARG A 1 2 ? 0.019 -13.237 9.112 1.00 83.11 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -0.043 -14.634 9.673 1.00 81.53 2 A 1 ATOM 16 N NE . ARG A 1 2 ? 0.337 -14.720 11.075 1.00 72.72 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? 0.144 -15.816 11.791 1.00 69.90 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -0.403 -16.881 11.246 1.00 65.02 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? 0.490 -15.862 13.047 1.00 59.96 2 A 1 ATOM 20 N N . LYS A 1 3 ? -3.068 -13.383 6.575 1.00 94.75 3 A 1 ATOM 21 C CA . LYS A 1 3 ? -4.176 -12.560 6.066 1.00 95.97 3 A 1 ATOM 22 C C . LYS A 1 3 ? -4.042 -11.104 6.517 1.00 96.47 3 A 1 ATOM 23 O O . LYS A 1 3 ? -4.328 -10.183 5.749 1.00 95.42 3 A 1 ATOM 24 C CB . LYS A 1 3 ? -5.508 -13.140 6.553 1.00 95.14 3 A 1 ATOM 25 C CG . LYS A 1 3 ? -5.866 -14.448 5.862 1.00 88.31 3 A 1 ATOM 26 C CD . LYS A 1 3 ? -6.931 -14.233 4.804 1.00 85.00 3 A 1 ATOM 27 C CE . LYS A 1 3 ? -7.403 -15.538 4.207 1.00 76.47 3 A 1 ATOM 28 N NZ . LYS A 1 3 ? -8.887 -15.633 4.215 1.00 70.02 3 A 1 ATOM 29 N N . ILE A 1 4 ? -3.608 -10.919 7.749 1.00 95.27 4 A 1 ATOM 30 C CA . ILE A 1 4 ? -3.451 -9.574 8.303 1.00 95.35 4 A 1 ATOM 31 C C . ILE A 1 4 ? -2.345 -8.814 7.574 1.00 96.05 4 A 1 ATOM 32 O O . ILE A 1 4 ? -2.529 -7.664 7.173 1.00 95.38 4 A 1 ATOM 33 C CB . ILE A 1 4 ? -3.157 -9.645 9.813 1.00 95.03 4 A 1 ATOM 34 C CG1 . ILE A 1 4 ? -4.281 -10.375 10.559 1.00 89.82 4 A 1 ATOM 35 C CG2 . ILE A 1 4 ? -2.984 -8.236 10.382 1.00 88.48 4 A 1 ATOM 36 C CD1 . ILE A 1 4 ? -3.852 -10.894 11.920 1.00 82.91 4 A 1 ATOM 37 N N . THR A 1 5 ? -1.215 -9.463 7.392 1.00 96.97 5 A 1 ATOM 38 C CA . THR A 1 5 ? -0.077 -8.838 6.714 1.00 96.42 5 A 1 ATOM 39 C C . THR A 1 5 ? -0.428 -8.493 5.270 1.00 96.46 5 A 1 ATOM 40 O O . THR A 1 5 ? -0.068 -7.422 4.773 1.00 95.85 5 A 1 ATOM 41 C CB . THR A 1 5 ? 1.136 -9.774 6.742 1.00 95.78 5 A 1 ATOM 42 O OG1 . THR A 1 5 ? 1.324 -10.272 8.059 1.00 87.11 5 A 1 ATOM 43 C CG2 . THR A 1 5 ? 2.400 -9.035 6.318 1.00 82.45 5 A 1 ATOM 44 N N . GLN A 1 6 ? -1.131 -9.396 4.604 1.00 97.70 6 A 1 ATOM 45 C CA . GLN A 1 6 ? -1.541 -9.174 3.218 1.00 97.34 6 A 1 ATOM 46 C C . GLN A 1 6 ? -2.540 -8.027 3.128 1.00 97.51 6 A 1 ATOM 47 O O . GLN A 1 6 ? -2.481 -7.216 2.202 1.00 96.99 6 A 1 ATOM 48 C CB . GLN A 1 6 ? -2.153 -10.460 2.654 1.00 96.71 6 A 1 ATOM 49 C CG . GLN A 1 6 ? -1.089 -11.462 2.237 1.00 89.44 6 A 1 ATOM 50 C CD . GLN A 1 6 ? -0.651 -11.227 0.795 1.00 84.92 6 A 1 ATOM 51 O OE1 . GLN A 1 6 ? -1.374 -11.554 -0.132 1.00 78.97 6 A 1 ATOM 52 N NE2 . GLN A 1 6 ? 0.510 -10.655 0.591 1.00 77.72 6 A 1 ATOM 53 N N . ALA A 1 7 ? -3.435 -7.959 4.088 1.00 97.59 7 A 1 ATOM 54 C CA . ALA A 1 7 ? -4.443 -6.903 4.116 1.00 97.66 7 A 1 ATOM 55 C C . ALA A 1 7 ? -3.792 -5.535 4.303 1.00 97.77 7 A 1 ATOM 56 O O . ALA A 1 7 ? -4.145 -4.575 3.618 1.00 97.22 7 A 1 ATOM 57 C CB . ALA A 1 7 ? -5.443 -7.179 5.235 1.00 97.38 7 A 1 ATOM 58 N N . ILE A 1 8 ? -2.832 -5.460 5.206 1.00 97.60 8 A 1 ATOM 59 C CA . ILE A 1 8 ? -2.126 -4.207 5.473 1.00 97.18 8 A 1 ATOM 60 C C . ILE A 1 8 ? -1.346 -3.768 4.235 1.00 97.14 8 A 1 ATOM 61 O O . ILE A 1 8 ? -1.343 -2.589 3.872 1.00 96.97 8 A 1 ATOM 62 C CB . ILE A 1 8 ? -1.182 -4.367 6.678 1.00 97.27 8 A 1 ATOM 63 C CG1 . ILE A 1 8 ? -1.975 -4.673 7.952 1.00 94.66 8 A 1 ATOM 64 C CG2 . ILE A 1 8 ? -0.354 -3.093 6.875 1.00 93.71 8 A 1 ATOM 65 C CD1 . ILE A 1 8 ? -1.115 -5.273 9.052 1.00 88.41 8 A 1 ATOM 66 N N . SER A 1 9 ? -0.699 -4.726 3.588 1.00 97.67 9 A 1 ATOM 67 C CA . SER A 1 9 ? 0.083 -4.441 2.385 1.00 97.32 9 A 1 ATOM 68 C C . SER A 1 9 ? -0.822 -3.938 1.259 1.00 97.51 9 A 1 ATOM 69 O O . SER A 1 9 ? -0.465 -3.011 0.532 1.00 97.25 9 A 1 ATOM 70 C CB . SER A 1 9 ? 0.828 -5.698 1.941 1.00 96.72 9 A 1 ATOM 71 O OG . SER A 1 9 ? 1.914 -5.351 1.117 1.00 83.39 9 A 1 ATOM 72 N N . ALA A 1 10 ? -1.992 -4.550 1.135 1.00 97.61 10 A 1 ATOM 73 C CA . ALA A 1 10 ? -2.955 -4.158 0.107 1.00 97.60 10 A 1 ATOM 74 C C . ALA A 1 10 ? -3.461 -2.736 0.343 1.00 97.86 10 A 1 ATOM 75 O O . ALA A 1 10 ? -3.570 -1.942 -0.593 1.00 97.41 10 A 1 ATOM 76 C CB . ALA A 1 10 ? -4.122 -5.142 0.096 1.00 97.27 10 A 1 ATOM 77 N N . VAL A 1 11 ? -3.755 -2.421 1.589 1.00 97.81 11 A 1 ATOM 78 C CA . VAL A 1 11 ? -4.233 -1.085 1.950 1.00 97.68 11 A 1 ATOM 79 C C . VAL A 1 11 ? -3.137 -0.053 1.712 1.00 97.87 11 A 1 ATOM 80 O O . VAL A 1 11 ? -3.406 1.058 1.252 1.00 97.55 11 A 1 ATOM 81 C CB . VAL A 1 11 ? -4.691 -1.052 3.418 1.00 97.34 11 A 1 ATOM 82 C CG1 . VAL A 1 11 ? -5.082 0.357 3.838 1.00 95.29 11 A 1 ATOM 83 C CG2 . VAL A 1 11 ? -5.860 -1.998 3.629 1.00 95.10 11 A 1 ATOM 84 N N . CYS A 1 12 ? -1.913 -0.425 2.022 1.00 97.51 12 A 1 ATOM 85 C CA . CYS A 1 12 ? -0.766 0.462 1.833 1.00 97.47 12 A 1 ATOM 86 C C . CYS A 1 12 ? -0.593 0.809 0.354 1.00 97.51 12 A 1 ATOM 87 O O . CYS A 1 12 ? -0.312 1.956 0.009 1.00 97.02 12 A 1 ATOM 88 C CB . CYS A 1 12 ? 0.496 -0.212 2.374 1.00 97.07 12 A 1 ATOM 89 S SG . CYS A 1 12 ? 1.866 0.952 2.550 1.00 93.34 12 A 1 ATOM 90 N N . LEU A 1 13 ? -0.773 -0.184 -0.505 1.00 96.99 13 A 1 ATOM 91 C CA . LEU A 1 13 ? -0.655 0.024 -1.946 1.00 96.84 13 A 1 ATOM 92 C C . LEU A 1 13 ? -1.749 0.962 -2.446 1.00 97.30 13 A 1 ATOM 93 O O . LEU A 1 13 ? -1.484 1.872 -3.237 1.00 97.09 13 A 1 ATOM 94 C CB . LEU A 1 13 ? -0.740 -1.326 -2.664 1.00 96.73 13 A 1 ATOM 95 C CG . LEU A 1 13 ? 0.611 -2.024 -2.802 1.00 90.63 13 A 1 ATOM 96 C CD1 . LEU A 1 13 ? 0.439 -3.532 -2.877 1.00 87.77 13 A 1 ATOM 97 C CD2 . LEU A 1 13 ? 1.334 -1.519 -4.046 1.00 88.36 13 A 1 ATOM 98 N N . LEU A 1 14 ? -2.962 0.745 -1.978 1.00 97.21 14 A 1 ATOM 99 C CA . LEU A 1 14 ? -4.088 1.592 -2.362 1.00 96.87 14 A 1 ATOM 100 C C . LEU A 1 14 ? -3.887 3.016 -1.862 1.00 97.13 14 A 1 ATOM 101 O O . LEU A 1 14 ? -4.177 3.982 -2.573 1.00 97.01 14 A 1 ATOM 102 C CB . LEU A 1 14 ? -5.379 1.008 -1.790 1.00 96.72 14 A 1 ATOM 103 C CG . LEU A 1 14 ? -5.918 -0.179 -2.588 1.00 91.41 14 A 1 ATOM 104 C CD1 . LEU A 1 14 ? -6.820 -1.035 -1.722 1.00 88.92 14 A 1 ATOM 105 C CD2 . LEU A 1 14 ? -6.690 0.328 -3.807 1.00 89.56 14 A 1 ATOM 106 N N . PHE A 1 15 ? -3.383 3.139 -0.653 1.00 97.26 15 A 1 ATOM 107 C CA . PHE A 1 15 ? -3.120 4.444 -0.063 1.00 96.62 15 A 1 ATOM 108 C C . PHE A 1 15 ? -1.996 5.152 -0.808 1.00 97.05 15 A 1 ATOM 109 O O . PHE A 1 15 ? -2.039 6.366 -1.007 1.00 96.64 15 A 1 ATOM 110 C CB . PHE A 1 15 ? -2.754 4.274 1.407 1.00 96.20 15 A 1 ATOM 111 C CG . PHE A 1 15 ? -3.319 5.371 2.268 1.00 94.01 15 A 1 ATOM 112 C CD1 . PHE A 1 15 ? -4.647 5.331 2.683 1.00 91.25 15 A 1 ATOM 113 C CD2 . PHE A 1 15 ? -2.518 6.441 2.654 1.00 91.95 15 A 1 ATOM 114 C CE1 . PHE A 1 15 ? -5.168 6.347 3.470 1.00 90.52 15 A 1 ATOM 115 C CE2 . PHE A 1 15 ? -3.039 7.461 3.442 1.00 90.54 15 A 1 ATOM 116 C CZ . PHE A 1 15 ? -4.366 7.413 3.850 1.00 90.96 15 A 1 ATOM 117 N N . ALA A 1 16 ? -0.995 4.385 -1.231 1.00 97.85 16 A 1 ATOM 118 C CA . ALA A 1 16 ? 0.133 4.941 -1.976 1.00 97.67 16 A 1 ATOM 119 C C . ALA A 1 16 ? -0.325 5.513 -3.317 1.00 97.88 16 A 1 ATOM 120 O O . ALA A 1 16 ? 0.198 6.530 -3.773 1.00 97.29 16 A 1 ATOM 121 C CB . ALA A 1 16 ? 1.189 3.859 -2.190 1.00 97.26 16 A 1 ATOM 122 N N . LEU A 1 17 ? -1.312 4.869 -3.936 1.00 97.25 17 A 1 ATOM 123 C CA . LEU A 1 17 ? -1.847 5.321 -5.220 1.00 96.76 17 A 1 ATOM 124 C C . LEU A 1 17 ? -2.480 6.701 -5.097 1.00 97.03 17 A 1 ATOM 125 O O . LEU A 1 17 ? -2.134 7.618 -5.845 1.00 96.52 17 A 1 ATOM 126 C CB . LEU A 1 17 ? -2.871 4.307 -5.738 1.00 96.42 17 A 1 ATOM 127 C CG . LEU A 1 17 ? -2.333 3.425 -6.866 1.00 92.24 17 A 1 ATOM 128 C CD1 . LEU A 1 17 ? -3.123 2.130 -6.952 1.00 87.98 17 A 1 ATOM 129 C CD2 . LEU A 1 17 ? -2.395 4.170 -8.190 1.00 87.91 17 A 1 ATOM 130 N N . ASN A 1 18 ? -3.394 6.846 -4.149 1.00 95.78 18 A 1 ATOM 131 C CA . ASN A 1 18 ? -4.055 8.136 -3.951 1.00 95.52 18 A 1 ATOM 132 C C . ASN A 1 18 ? -3.089 9.167 -3.374 1.00 95.73 18 A 1 ATOM 133 O O . ASN A 1 18 ? -3.179 10.352 -3.705 1.00 95.39 18 A 1 ATOM 134 C CB . ASN A 1 18 ? -5.274 7.971 -3.041 1.00 94.50 18 A 1 ATOM 135 C CG . ASN A 1 18 ? -4.981 7.123 -1.824 1.00 90.15 18 A 1 ATOM 136 O OD1 . ASN A 1 18 ? -4.368 7.575 -0.875 1.00 84.79 18 A 1 ATOM 137 N ND2 . ASN A 1 18 ? -5.439 5.891 -1.841 1.00 83.86 18 A 1 ATOM 138 N N . SER A 1 19 ? -2.157 8.723 -2.549 1.00 97.23 19 A 1 ATOM 139 C CA . SER A 1 19 ? -1.161 9.612 -1.960 1.00 96.80 19 A 1 ATOM 140 C C . SER A 1 19 ? -0.257 10.192 -3.043 1.00 96.85 19 A 1 ATOM 141 O O . SER A 1 19 ? 0.056 11.383 -3.032 1.00 95.73 19 A 1 ATOM 142 C CB . SER A 1 19 ? -0.319 8.859 -0.929 1.00 95.48 19 A 1 ATOM 143 O OG . SER A 1 19 ? 0.552 9.736 -0.263 1.00 85.25 19 A 1 ATOM 144 N N . SER A 1 20 ? 0.148 9.353 -3.993 1.00 96.77 20 A 1 ATOM 145 C CA . SER A 1 20 ? 1.004 9.778 -5.101 1.00 96.53 20 A 1 ATOM 146 C C . SER A 1 20 ? 0.260 10.760 -6.001 1.00 96.88 20 A 1 ATOM 147 O O . SER A 1 20 ? 0.840 11.732 -6.489 1.00 95.63 20 A 1 ATOM 148 C CB . SER A 1 20 ? 1.465 8.566 -5.906 1.00 95.51 20 A 1 ATOM 149 O OG . SER A 1 20 ? 2.395 8.948 -6.890 1.00 83.70 20 A 1 ATOM 150 N N . ALA A 1 21 ? -1.016 10.512 -6.208 1.00 97.00 21 A 1 ATOM 151 C CA . ALA A 1 21 ? -1.840 11.385 -7.040 1.00 96.96 21 A 1 ATOM 152 C C . ALA A 1 21 ? -1.984 12.771 -6.416 1.00 97.29 21 A 1 ATOM 153 O O . ALA A 1 21 ? -1.968 13.780 -7.120 1.00 96.61 21 A 1 ATOM 154 C CB . ALA A 1 21 ? -3.207 10.746 -7.249 1.00 96.16 21 A 1 ATOM 155 N N . VAL A 1 22 ? -2.115 12.817 -5.109 1.00 96.96 22 A 1 ATOM 156 C CA . VAL A 1 22 ? -2.249 14.089 -4.395 1.00 96.58 22 A 1 ATOM 157 C C . VAL A 1 22 ? -0.896 14.767 -4.229 1.00 97.01 22 A 1 ATOM 158 O O . VAL A 1 22 ? -0.807 15.999 -4.240 1.00 96.70 22 A 1 ATOM 159 C CB . VAL A 1 22 ? -2.904 13.869 -3.024 1.00 95.33 22 A 1 ATOM 160 C CG1 . VAL A 1 22 ? -3.009 15.180 -2.259 1.00 91.13 22 A 1 ATOM 161 C CG2 . VAL A 1 22 ? -4.277 13.249 -3.190 1.00 91.46 22 A 1 ATOM 162 N N . ALA A 1 23 ? 0.149 13.962 -4.073 1.00 95.99 23 A 1 ATOM 163 C CA . ALA A 1 23 ? 1.497 14.492 -3.882 1.00 96.05 23 A 1 ATOM 164 C C . ALA A 1 23 ? 2.070 15.058 -5.179 1.00 96.47 23 A 1 ATOM 165 O O . ALA A 1 23 ? 2.567 16.183 -5.203 1.00 95.75 23 A 1 ATOM 166 C CB . ALA A 1 23 ? 2.409 13.404 -3.328 1.00 95.27 23 A 1 ATOM 167 N N . LEU A 1 24 ? 2.010 14.268 -6.245 1.00 95.14 24 A 1 ATOM 168 C CA . LEU A 1 24 ? 2.539 14.688 -7.544 1.00 94.43 24 A 1 ATOM 169 C C . LEU A 1 24 ? 1.489 15.422 -8.367 1.00 94.78 24 A 1 ATOM 170 O O . LEU A 1 24 ? 1.665 16.587 -8.721 1.00 93.78 24 A 1 ATOM 171 C CB . LEU A 1 24 ? 3.070 13.466 -8.303 1.00 93.32 24 A 1 ATOM 172 C CG . LEU A 1 24 ? 4.461 13.025 -7.842 1.00 87.65 24 A 1 ATOM 173 C CD1 . LEU A 1 24 ? 4.643 11.526 -8.032 1.00 81.65 24 A 1 ATOM 174 C CD2 . LEU A 1 24 ? 5.528 13.778 -8.631 1.00 80.21 24 A 1 ATOM 175 N N . ALA A 1 25 ? 0.413 14.713 -8.691 1.00 91.11 25 A 1 ATOM 176 C CA . ALA A 1 25 ? -0.665 15.280 -9.492 1.00 88.94 25 A 1 ATOM 177 C C . ALA A 1 25 ? -1.383 16.415 -8.756 1.00 85.29 25 A 1 ATOM 178 O O . ALA A 1 25 ? -1.209 16.546 -7.528 1.00 82.45 25 A 1 ATOM 179 C CB . ALA A 1 25 ? -1.641 14.178 -9.883 1.00 85.31 25 A 1 ATOM 180 O OXT . ALA A 1 25 ? -2.145 17.158 -9.412 1.00 76.87 25 A 1 #