# 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_acrif20 # _entry.id acrif20 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 THR 2 1 n LYS 3 1 n SER 4 1 n GLU 5 1 n ILE 6 1 n PHE 7 1 n LYS 8 1 n PHE 9 1 n ALA 10 1 n TRP 11 1 n VAL 12 1 n ASP 13 1 n ALA 14 1 n HIS 15 1 n TYR 16 1 n LEU 17 1 n ALA 18 1 n THR 19 1 n THR 20 1 n LEU 21 1 n GLY 22 1 n GLY 23 1 n ASN 24 1 n ALA 25 1 n VAL 26 1 n GLU 27 1 n TYR 28 1 n PHE 29 1 n ALA 30 1 n GLU 31 1 n CYS 32 1 n LEU 33 1 n LYS 34 1 n LYS 35 1 n SER 36 1 n HIS 37 1 n MET 38 1 n ILE 39 1 n ASN 40 1 n ARG 41 1 n THR 42 1 n THR 43 1 n ALA 44 1 n VAL 45 1 n SER 46 1 n PHE 47 1 n GLU 48 1 n GLN 49 1 n LYS 50 1 n GLU 51 1 n TYR 52 1 n ALA 53 1 n VAL 54 1 n ASP 55 1 n VAL 56 1 n ALA 57 1 n TYR 58 1 n ALA 59 1 n ALA 60 1 n ILE 61 1 n THR 62 1 n ILE 63 1 n LEU 64 1 n ALA 65 1 n ASP 66 1 n GLY 67 1 n ALA 68 1 n VAL 69 1 n LEU 70 # _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 (3.0.1 @ 2025-04-06 19:42:43)" _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 82.75 _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 76.93 1 1 A THR 2 2 84.92 1 2 A LYS 3 2 80.79 1 3 A SER 4 2 87.24 1 4 A GLU 5 2 82.23 1 5 A ILE 6 2 87.55 1 6 A PHE 7 2 83.40 1 7 A LYS 8 2 84.27 1 8 A PHE 9 2 80.16 1 9 A ALA 10 2 92.24 1 10 A TRP 11 2 89.16 1 11 A VAL 12 2 92.66 1 12 A ASP 13 2 89.28 1 13 A ALA 14 2 93.27 1 14 A HIS 15 2 88.95 1 15 A TYR 16 2 89.93 1 16 A LEU 17 2 91.20 1 17 A ALA 18 2 92.62 1 18 A THR 19 2 92.63 1 19 A THR 20 2 91.83 1 20 A LEU 21 2 90.76 1 21 A GLY 22 2 93.01 1 22 A GLY 23 2 93.08 1 23 A ASN 24 2 87.81 1 24 A ALA 25 2 94.27 1 25 A VAL 26 2 92.62 1 26 A GLU 27 2 88.72 1 27 A TYR 28 2 91.67 1 28 A PHE 29 2 90.96 1 29 A ALA 30 2 92.79 1 30 A GLU 31 2 82.49 1 31 A CYS 32 2 91.22 1 32 A LEU 33 2 87.88 1 33 A LYS 34 2 83.31 1 34 A LYS 35 2 82.16 1 35 A SER 36 2 86.57 1 36 A HIS 37 2 81.85 1 37 A MET 38 2 76.80 1 38 A ILE 39 2 82.72 1 39 A ASN 40 2 81.56 1 40 A ARG 41 2 71.89 1 41 A THR 42 2 78.62 1 42 A THR 43 2 78.87 1 43 A ALA 44 2 81.43 1 44 A VAL 45 2 78.11 1 45 A SER 46 2 83.17 1 46 A PHE 47 2 79.09 1 47 A GLU 48 2 80.25 1 48 A GLN 49 2 77.57 1 49 A LYS 50 2 79.42 1 50 A GLU 51 2 80.13 1 51 A TYR 52 2 80.71 1 52 A ALA 53 2 82.96 1 53 A VAL 54 2 82.57 1 54 A ASP 55 2 83.43 1 55 A VAL 56 2 83.03 1 56 A ALA 57 2 85.24 1 57 A TYR 58 2 75.24 1 58 A ALA 59 2 86.17 1 59 A ALA 60 2 85.44 1 60 A ILE 61 2 82.72 1 61 A THR 62 2 82.41 1 62 A ILE 63 2 82.80 1 63 A LEU 64 2 80.23 1 64 A ALA 65 2 80.62 1 65 A ASP 66 2 73.50 1 66 A GLY 67 2 68.81 1 67 A ALA 68 2 56.80 1 68 A VAL 69 2 48.86 1 69 A LEU 70 2 38.00 1 70 # _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 THR . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n GLU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n TRP . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ASP . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n HIS . 15 A 15 A 16 1 n TYR . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n ASN . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n VAL . 26 A 26 A 27 1 n GLU . 27 A 27 A 28 1 n TYR . 28 A 28 A 29 1 n PHE . 29 A 29 A 30 1 n ALA . 30 A 30 A 31 1 n GLU . 31 A 31 A 32 1 n CYS . 32 A 32 A 33 1 n LEU . 33 A 33 A 34 1 n LYS . 34 A 34 A 35 1 n LYS . 35 A 35 A 36 1 n SER . 36 A 36 A 37 1 n HIS . 37 A 37 A 38 1 n MET . 38 A 38 A 39 1 n ILE . 39 A 39 A 40 1 n ASN . 40 A 40 A 41 1 n ARG . 41 A 41 A 42 1 n THR . 42 A 42 A 43 1 n THR . 43 A 43 A 44 1 n ALA . 44 A 44 A 45 1 n VAL . 45 A 45 A 46 1 n SER . 46 A 46 A 47 1 n PHE . 47 A 47 A 48 1 n GLU . 48 A 48 A 49 1 n GLN . 49 A 49 A 50 1 n LYS . 50 A 50 A 51 1 n GLU . 51 A 51 A 52 1 n TYR . 52 A 52 A 53 1 n ALA . 53 A 53 A 54 1 n VAL . 54 A 54 A 55 1 n ASP . 55 A 55 A 56 1 n VAL . 56 A 56 A 57 1 n ALA . 57 A 57 A 58 1 n TYR . 58 A 58 A 59 1 n ALA . 59 A 59 A 60 1 n ALA . 60 A 60 A 61 1 n ILE . 61 A 61 A 62 1 n THR . 62 A 62 A 63 1 n ILE . 63 A 63 A 64 1 n LEU . 64 A 64 A 65 1 n ALA . 65 A 65 A 66 1 n ASP . 66 A 66 A 67 1 n GLY . 67 A 67 A 68 1 n ALA . 68 A 68 A 69 1 n VAL . 69 A 69 A 70 1 n LEU . 70 A 70 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _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 ? 9.796 -1.810 8.514 1.00 77.49 1 A 1 ATOM 2 C CA . MET A 1 1 ? 10.382 -2.690 7.477 1.00 82.78 1 A 1 ATOM 3 C C . MET A 1 1 ? 11.632 -2.058 6.890 1.00 83.63 1 A 1 ATOM 4 O O . MET A 1 1 ? 11.653 -0.840 6.682 1.00 80.72 1 A 1 ATOM 5 C CB . MET A 1 1 ? 9.391 -3.001 6.350 1.00 78.88 1 A 1 ATOM 6 C CG . MET A 1 1 ? 8.240 -3.884 6.817 1.00 74.95 1 A 1 ATOM 7 S SD . MET A 1 1 ? 7.209 -4.518 5.472 1.00 72.24 1 A 1 ATOM 8 C CE . MET A 1 1 ? 6.258 -3.066 5.001 1.00 64.74 1 A 1 ATOM 9 N N . THR A 1 2 ? 12.642 -2.876 6.606 1.00 84.25 2 A 1 ATOM 10 C CA . THR A 1 2 ? 13.857 -2.450 5.893 1.00 85.69 2 A 1 ATOM 11 C C . THR A 1 2 ? 13.576 -2.268 4.397 1.00 86.68 2 A 1 ATOM 12 O O . THR A 1 2 ? 12.606 -2.802 3.855 1.00 85.62 2 A 1 ATOM 13 C CB . THR A 1 2 ? 14.999 -3.456 6.093 1.00 85.59 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? 14.672 -4.672 5.481 1.00 84.48 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? 15.331 -3.715 7.562 1.00 82.12 2 A 1 ATOM 16 N N . LYS A 1 3 ? 14.453 -1.551 3.667 1.00 86.04 3 A 1 ATOM 17 C CA . LYS A 1 3 ? 14.342 -1.420 2.198 1.00 86.36 3 A 1 ATOM 18 C C . LYS A 1 3 ? 14.334 -2.781 1.488 1.00 87.08 3 A 1 ATOM 19 O O . LYS A 1 3 ? 13.605 -2.962 0.518 1.00 87.06 3 A 1 ATOM 20 C CB . LYS A 1 3 ? 15.494 -0.554 1.650 1.00 85.93 3 A 1 ATOM 21 C CG . LYS A 1 3 ? 15.403 0.925 2.072 1.00 81.36 3 A 1 ATOM 22 C CD . LYS A 1 3 ? 16.532 1.738 1.415 1.00 77.79 3 A 1 ATOM 23 C CE . LYS A 1 3 ? 16.445 3.215 1.818 1.00 71.25 3 A 1 ATOM 24 N NZ . LYS A 1 3 ? 17.531 4.029 1.200 1.00 64.28 3 A 1 ATOM 25 N N . SER A 1 4 ? 15.121 -3.739 1.989 1.00 88.31 4 A 1 ATOM 26 C CA . SER A 1 4 ? 15.186 -5.100 1.444 1.00 89.25 4 A 1 ATOM 27 C C . SER A 1 4 ? 13.864 -5.852 1.626 1.00 89.13 4 A 1 ATOM 28 O O . SER A 1 4 ? 13.406 -6.512 0.697 1.00 89.00 4 A 1 ATOM 29 C CB . SER A 1 4 ? 16.330 -5.866 2.115 1.00 89.77 4 A 1 ATOM 30 O OG . SER A 1 4 ? 16.453 -7.164 1.569 1.00 77.99 4 A 1 ATOM 31 N N . GLU A 1 5 ? 13.220 -5.730 2.780 1.00 87.20 5 A 1 ATOM 32 C CA . GLU A 1 5 ? 11.916 -6.349 3.036 1.00 86.90 5 A 1 ATOM 33 C C . GLU A 1 5 ? 10.828 -5.760 2.135 1.00 88.36 5 A 1 ATOM 34 O O . GLU A 1 5 ? 10.088 -6.512 1.510 1.00 87.95 5 A 1 ATOM 35 C CB . GLU A 1 5 ? 11.529 -6.156 4.503 1.00 85.84 5 A 1 ATOM 36 C CG . GLU A 1 5 ? 12.367 -7.027 5.444 1.00 82.96 5 A 1 ATOM 37 C CD . GLU A 1 5 ? 12.238 -6.583 6.906 1.00 78.18 5 A 1 ATOM 38 O OE1 . GLU A 1 5 ? 12.375 -7.447 7.788 1.00 70.57 5 A 1 ATOM 39 O OE2 . GLU A 1 5 ? 12.083 -5.353 7.130 1.00 72.10 5 A 1 ATOM 40 N N . ILE A 1 6 ? 10.774 -4.429 1.986 1.00 87.87 6 A 1 ATOM 41 C CA . ILE A 1 6 ? 9.828 -3.751 1.084 1.00 87.91 6 A 1 ATOM 42 C C . ILE A 1 6 ? 9.971 -4.280 -0.347 1.00 88.91 6 A 1 ATOM 43 O O . ILE A 1 6 ? 8.977 -4.594 -1.000 1.00 88.56 6 A 1 ATOM 44 C CB . ILE A 1 6 ? 10.049 -2.220 1.139 1.00 88.73 6 A 1 ATOM 45 C CG1 . ILE A 1 6 ? 9.688 -1.665 2.535 1.00 88.44 6 A 1 ATOM 46 C CG2 . ILE A 1 6 ? 9.221 -1.491 0.065 1.00 86.70 6 A 1 ATOM 47 C CD1 . ILE A 1 6 ? 10.196 -0.240 2.771 1.00 83.29 6 A 1 ATOM 48 N N . PHE A 1 7 ? 11.207 -4.421 -0.824 1.00 89.88 7 A 1 ATOM 49 C CA . PHE A 1 7 ? 11.499 -4.928 -2.165 1.00 90.44 7 A 1 ATOM 50 C C . PHE A 1 7 ? 11.070 -6.397 -2.339 1.00 91.59 7 A 1 ATOM 51 O O . PHE A 1 7 ? 10.468 -6.751 -3.353 1.00 91.38 7 A 1 ATOM 52 C CB . PHE A 1 7 ? 12.993 -4.735 -2.427 1.00 89.67 7 A 1 ATOM 53 C CG . PHE A 1 7 ? 13.388 -4.922 -3.871 1.00 84.73 7 A 1 ATOM 54 C CD1 . PHE A 1 7 ? 13.831 -6.170 -4.335 1.00 76.52 7 A 1 ATOM 55 C CD2 . PHE A 1 7 ? 13.335 -3.826 -4.751 1.00 77.24 7 A 1 ATOM 56 C CE1 . PHE A 1 7 ? 14.226 -6.319 -5.679 1.00 74.44 7 A 1 ATOM 57 C CE2 . PHE A 1 7 ? 13.727 -3.975 -6.092 1.00 75.55 7 A 1 ATOM 58 C CZ . PHE A 1 7 ? 14.176 -5.222 -6.556 1.00 75.95 7 A 1 ATOM 59 N N . LYS A 1 8 ? 11.330 -7.243 -1.342 1.00 90.50 8 A 1 ATOM 60 C CA . LYS A 1 8 ? 10.882 -8.645 -1.344 1.00 90.68 8 A 1 ATOM 61 C C . LYS A 1 8 ? 9.357 -8.755 -1.375 1.00 91.03 8 A 1 ATOM 62 O O . LYS A 1 8 ? 8.840 -9.508 -2.191 1.00 92.15 8 A 1 ATOM 63 C CB . LYS A 1 8 ? 11.438 -9.388 -0.124 1.00 91.05 8 A 1 ATOM 64 C CG . LYS A 1 8 ? 12.933 -9.700 -0.258 1.00 83.73 8 A 1 ATOM 65 C CD . LYS A 1 8 ? 13.435 -10.336 1.041 1.00 81.13 8 A 1 ATOM 66 C CE . LYS A 1 8 ? 14.933 -10.631 0.959 1.00 72.82 8 A 1 ATOM 67 N NZ . LYS A 1 8 ? 15.416 -11.285 2.200 1.00 65.38 8 A 1 ATOM 68 N N . PHE A 1 9 ? 8.644 -7.987 -0.550 1.00 90.93 9 A 1 ATOM 69 C CA . PHE A 1 9 ? 7.178 -7.974 -0.560 1.00 89.86 9 A 1 ATOM 70 C C . PHE A 1 9 ? 6.619 -7.541 -1.918 1.00 92.14 9 A 1 ATOM 71 O O . PHE A 1 9 ? 5.706 -8.184 -2.432 1.00 91.60 9 A 1 ATOM 72 C CB . PHE A 1 9 ? 6.648 -7.062 0.557 1.00 88.43 9 A 1 ATOM 73 C CG . PHE A 1 9 ? 6.636 -7.710 1.929 1.00 82.14 9 A 1 ATOM 74 C CD1 . PHE A 1 9 ? 5.821 -8.833 2.154 1.00 74.24 9 A 1 ATOM 75 C CD2 . PHE A 1 9 ? 7.412 -7.190 2.978 1.00 72.03 9 A 1 ATOM 76 C CE1 . PHE A 1 9 ? 5.795 -9.448 3.418 1.00 66.87 9 A 1 ATOM 77 C CE2 . PHE A 1 9 ? 7.388 -7.804 4.244 1.00 67.52 9 A 1 ATOM 78 C CZ . PHE A 1 9 ? 6.581 -8.938 4.463 1.00 66.00 9 A 1 ATOM 79 N N . ALA A 1 10 ? 7.204 -6.520 -2.536 1.00 89.89 10 A 1 ATOM 80 C CA . ALA A 1 10 ? 6.798 -6.073 -3.865 1.00 91.30 10 A 1 ATOM 81 C C . ALA A 1 10 ? 6.956 -7.170 -4.928 1.00 93.36 10 A 1 ATOM 82 O O . ALA A 1 10 ? 6.061 -7.349 -5.751 1.00 94.08 10 A 1 ATOM 83 C CB . ALA A 1 10 ? 7.608 -4.826 -4.223 1.00 92.59 10 A 1 ATOM 84 N N . TRP A 1 11 ? 8.053 -7.940 -4.904 1.00 91.00 11 A 1 ATOM 85 C CA . TRP A 1 11 ? 8.245 -9.065 -5.822 1.00 92.16 11 A 1 ATOM 86 C C . TRP A 1 11 ? 7.257 -10.204 -5.583 1.00 93.01 11 A 1 ATOM 87 O O . TRP A 1 11 ? 6.728 -10.746 -6.549 1.00 92.72 11 A 1 ATOM 88 C CB . TRP A 1 11 ? 9.688 -9.574 -5.741 1.00 92.32 11 A 1 ATOM 89 C CG . TRP A 1 11 ? 10.615 -8.878 -6.683 1.00 91.83 11 A 1 ATOM 90 C CD1 . TRP A 1 11 ? 11.670 -8.105 -6.348 1.00 86.81 11 A 1 ATOM 91 C CD2 . TRP A 1 11 ? 10.567 -8.883 -8.140 1.00 91.14 11 A 1 ATOM 92 N NE1 . TRP A 1 11 ? 12.280 -7.624 -7.488 1.00 85.46 11 A 1 ATOM 93 C CE2 . TRP A 1 11 ? 11.635 -8.070 -8.623 1.00 89.32 11 A 1 ATOM 94 C CE3 . TRP A 1 11 ? 9.726 -9.480 -9.107 1.00 86.75 11 A 1 ATOM 95 C CZ2 . TRP A 1 11 ? 11.850 -7.851 -9.994 1.00 86.91 11 A 1 ATOM 96 C CZ3 . TRP A 1 11 ? 9.936 -9.269 -10.482 1.00 84.92 11 A 1 ATOM 97 C CH2 . TRP A 1 11 ? 10.991 -8.455 -10.930 1.00 83.95 11 A 1 ATOM 98 N N . VAL A 1 12 ? 6.977 -10.552 -4.328 1.00 93.04 12 A 1 ATOM 99 C CA . VAL A 1 12 ? 5.978 -11.581 -3.991 1.00 92.90 12 A 1 ATOM 100 C C . VAL A 1 12 ? 4.600 -11.187 -4.533 1.00 93.71 12 A 1 ATOM 101 O O . VAL A 1 12 ? 3.975 -11.979 -5.239 1.00 93.61 12 A 1 ATOM 102 C CB . VAL A 1 12 ? 5.941 -11.835 -2.469 1.00 93.27 12 A 1 ATOM 103 C CG1 . VAL A 1 12 ? 4.777 -12.743 -2.054 1.00 91.69 12 A 1 ATOM 104 C CG2 . VAL A 1 12 ? 7.234 -12.523 -2.009 1.00 90.40 12 A 1 ATOM 105 N N . ASP A 1 13 ? 4.163 -9.955 -4.291 1.00 93.52 13 A 1 ATOM 106 C CA . ASP A 1 13 ? 2.892 -9.429 -4.806 1.00 93.23 13 A 1 ATOM 107 C C . ASP A 1 13 ? 2.872 -9.404 -6.346 1.00 94.29 13 A 1 ATOM 108 O O . ASP A 1 13 ? 1.884 -9.799 -6.961 1.00 94.57 13 A 1 ATOM 109 C CB . ASP A 1 13 ? 2.635 -8.012 -4.248 1.00 91.94 13 A 1 ATOM 110 C CG . ASP A 1 13 ? 1.950 -7.959 -2.873 1.00 86.26 13 A 1 ATOM 111 O OD1 . ASP A 1 13 ? 1.938 -8.973 -2.148 1.00 80.28 13 A 1 ATOM 112 O OD2 . ASP A 1 13 ? 1.356 -6.885 -2.565 1.00 80.12 13 A 1 ATOM 113 N N . ALA A 1 14 ? 3.964 -8.990 -6.988 1.00 91.83 14 A 1 ATOM 114 C CA . ALA A 1 14 ? 4.060 -8.941 -8.449 1.00 92.73 14 A 1 ATOM 115 C C . ALA A 1 14 ? 3.980 -10.339 -9.091 1.00 93.73 14 A 1 ATOM 116 O O . ALA A 1 14 ? 3.289 -10.520 -10.094 1.00 94.11 14 A 1 ATOM 117 C CB . ALA A 1 14 ? 5.359 -8.221 -8.829 1.00 93.97 14 A 1 ATOM 118 N N . HIS A 1 15 ? 4.640 -11.347 -8.509 1.00 93.73 15 A 1 ATOM 119 C CA . HIS A 1 15 ? 4.530 -12.739 -8.960 1.00 93.58 15 A 1 ATOM 120 C C . HIS A 1 15 ? 3.121 -13.301 -8.761 1.00 93.83 15 A 1 ATOM 121 O O . HIS A 1 15 ? 2.615 -14.006 -9.636 1.00 93.95 15 A 1 ATOM 122 C CB . HIS A 1 15 ? 5.565 -13.605 -8.232 1.00 94.07 15 A 1 ATOM 123 C CG . HIS A 1 15 ? 6.934 -13.535 -8.853 1.00 92.34 15 A 1 ATOM 124 N ND1 . HIS A 1 15 ? 7.264 -14.008 -10.103 1.00 78.20 15 A 1 ATOM 125 C CD2 . HIS A 1 15 ? 8.073 -13.020 -8.305 1.00 80.78 15 A 1 ATOM 126 C CE1 . HIS A 1 15 ? 8.575 -13.780 -10.297 1.00 83.20 15 A 1 ATOM 127 N NE2 . HIS A 1 15 ? 9.111 -13.185 -9.228 1.00 85.82 15 A 1 ATOM 128 N N . TYR A 1 16 ? 2.469 -12.970 -7.651 1.00 94.62 16 A 1 ATOM 129 C CA . TYR A 1 16 ? 1.081 -13.359 -7.415 1.00 93.77 16 A 1 ATOM 130 C C . TYR A 1 16 ? 0.135 -12.765 -8.471 1.00 94.02 16 A 1 ATOM 131 O O . TYR A 1 16 ? -0.683 -13.487 -9.045 1.00 93.93 16 A 1 ATOM 132 C CB . TYR A 1 16 ? 0.676 -12.942 -5.997 1.00 94.24 16 A 1 ATOM 133 C CG . TYR A 1 16 ? -0.774 -13.247 -5.696 1.00 92.26 16 A 1 ATOM 134 C CD1 . TYR A 1 16 ? -1.745 -12.227 -5.789 1.00 86.59 16 A 1 ATOM 135 C CD2 . TYR A 1 16 ? -1.162 -14.562 -5.374 1.00 87.92 16 A 1 ATOM 136 C CE1 . TYR A 1 16 ? -3.098 -12.523 -5.553 1.00 85.35 16 A 1 ATOM 137 C CE2 . TYR A 1 16 ? -2.517 -14.863 -5.138 1.00 86.19 16 A 1 ATOM 138 C CZ . TYR A 1 16 ? -3.486 -13.839 -5.228 1.00 86.40 16 A 1 ATOM 139 O OH . TYR A 1 16 ? -4.795 -14.126 -5.007 1.00 83.86 16 A 1 ATOM 140 N N . LEU A 1 17 ? 0.282 -11.475 -8.789 1.00 92.72 17 A 1 ATOM 141 C CA . LEU A 1 17 ? -0.511 -10.817 -9.832 1.00 92.47 17 A 1 ATOM 142 C C . LEU A 1 17 ? -0.249 -11.414 -11.217 1.00 92.76 17 A 1 ATOM 143 O O . LEU A 1 17 ? -1.200 -11.707 -11.932 1.00 93.22 17 A 1 ATOM 144 C CB . LEU A 1 17 ? -0.228 -9.307 -9.829 1.00 93.59 17 A 1 ATOM 145 C CG . LEU A 1 17 ? -0.803 -8.560 -8.614 1.00 92.45 17 A 1 ATOM 146 C CD1 . LEU A 1 17 ? -0.371 -7.097 -8.680 1.00 86.00 17 A 1 ATOM 147 C CD2 . LEU A 1 17 ? -2.333 -8.599 -8.565 1.00 86.38 17 A 1 ATOM 148 N N . ALA A 1 18 ? 1.008 -11.679 -11.571 1.00 92.38 18 A 1 ATOM 149 C CA . ALA A 1 18 ? 1.336 -12.327 -12.843 1.00 92.18 18 A 1 ATOM 150 C C . ALA A 1 18 ? 0.706 -13.723 -12.966 1.00 92.60 18 A 1 ATOM 151 O O . ALA A 1 18 ? 0.252 -14.110 -14.039 1.00 92.44 18 A 1 ATOM 152 C CB . ALA A 1 18 ? 2.862 -12.398 -12.963 1.00 93.51 18 A 1 ATOM 153 N N . THR A 1 19 ? 0.635 -14.472 -11.863 1.00 95.16 19 A 1 ATOM 154 C CA . THR A 1 19 ? 0.014 -15.807 -11.838 1.00 94.22 19 A 1 ATOM 155 C C . THR A 1 19 ? -1.511 -15.738 -11.948 1.00 94.45 19 A 1 ATOM 156 O O . THR A 1 19 ? -2.123 -16.601 -12.569 1.00 93.38 19 A 1 ATOM 157 C CB . THR A 1 19 ? 0.406 -16.556 -10.553 1.00 94.83 19 A 1 ATOM 158 O OG1 . THR A 1 19 ? 1.812 -16.614 -10.432 1.00 89.67 19 A 1 ATOM 159 C CG2 . THR A 1 19 ? -0.095 -18.001 -10.530 1.00 86.72 19 A 1 ATOM 160 N N . THR A 1 20 ? -2.135 -14.724 -11.355 1.00 94.50 20 A 1 ATOM 161 C CA . THR A 1 20 ? -3.603 -14.601 -11.280 1.00 93.72 20 A 1 ATOM 162 C C . THR A 1 20 ? -4.216 -13.845 -12.460 1.00 94.06 20 A 1 ATOM 163 O O . THR A 1 20 ? -5.303 -14.203 -12.912 1.00 92.56 20 A 1 ATOM 164 C CB . THR A 1 20 ? -4.041 -13.936 -9.970 1.00 93.96 20 A 1 ATOM 165 O OG1 . THR A 1 20 ? -3.344 -12.734 -9.739 1.00 89.03 20 A 1 ATOM 166 C CG2 . THR A 1 20 ? -3.782 -14.830 -8.763 1.00 84.98 20 A 1 ATOM 167 N N . LEU A 1 21 ? -3.530 -12.822 -12.962 1.00 93.55 21 A 1 ATOM 168 C CA . LEU A 1 21 ? -4.002 -11.954 -14.047 1.00 92.47 21 A 1 ATOM 169 C C . LEU A 1 21 ? -3.325 -12.258 -15.391 1.00 92.62 21 A 1 ATOM 170 O O . LEU A 1 21 ? -3.765 -11.758 -16.424 1.00 90.12 21 A 1 ATOM 171 C CB . LEU A 1 21 ? -3.804 -10.480 -13.646 1.00 93.66 21 A 1 ATOM 172 C CG . LEU A 1 21 ? -4.470 -10.060 -12.325 1.00 91.96 21 A 1 ATOM 173 C CD1 . LEU A 1 21 ? -4.155 -8.593 -12.037 1.00 85.47 21 A 1 ATOM 174 C CD2 . LEU A 1 21 ? -5.992 -10.229 -12.363 1.00 86.26 21 A 1 ATOM 175 N N . GLY A 1 22 ? -2.270 -13.091 -15.389 1.00 94.16 22 A 1 ATOM 176 C CA . GLY A 1 22 ? -1.400 -13.322 -16.539 1.00 93.43 22 A 1 ATOM 177 C C . GLY A 1 22 ? -0.360 -12.212 -16.722 1.00 93.55 22 A 1 ATOM 178 O O . GLY A 1 22 ? -0.352 -11.210 -16.007 1.00 90.89 22 A 1 ATOM 179 N N . GLY A 1 23 ? 0.537 -12.388 -17.698 1.00 93.48 23 A 1 ATOM 180 C CA . GLY A 1 23 ? 1.629 -11.448 -17.975 1.00 92.72 23 A 1 ATOM 181 C C . GLY A 1 23 ? 2.910 -11.748 -17.192 1.00 93.95 23 A 1 ATOM 182 O O . GLY A 1 23 ? 3.118 -12.855 -16.687 1.00 92.17 23 A 1 ATOM 183 N N . ASN A 1 24 ? 3.810 -10.752 -17.121 1.00 92.96 24 A 1 ATOM 184 C CA . ASN A 1 24 ? 5.102 -10.871 -16.459 1.00 93.42 24 A 1 ATOM 185 C C . ASN A 1 24 ? 5.106 -10.092 -15.134 1.00 93.94 24 A 1 ATOM 186 O O . ASN A 1 24 ? 4.663 -8.948 -15.071 1.00 91.63 24 A 1 ATOM 187 C CB . ASN A 1 24 ? 6.192 -10.396 -17.438 1.00 91.73 24 A 1 ATOM 188 C CG . ASN A 1 24 ? 7.607 -10.720 -16.981 1.00 85.85 24 A 1 ATOM 189 O OD1 . ASN A 1 24 ? 7.965 -10.652 -15.815 1.00 76.86 24 A 1 ATOM 190 N ND2 . ASN A 1 24 ? 8.477 -11.077 -17.895 1.00 76.08 24 A 1 ATOM 191 N N . ALA A 1 25 ? 5.692 -10.673 -14.087 1.00 94.02 25 A 1 ATOM 192 C CA . ALA A 1 25 ? 5.821 -10.021 -12.781 1.00 94.11 25 A 1 ATOM 193 C C . ALA A 1 25 ? 6.509 -8.641 -12.846 1.00 94.95 25 A 1 ATOM 194 O O . ALA A 1 25 ? 6.197 -7.753 -12.054 1.00 94.14 25 A 1 ATOM 195 C CB . ALA A 1 25 ? 6.583 -10.974 -11.854 1.00 94.15 25 A 1 ATOM 196 N N . VAL A 1 26 ? 7.416 -8.442 -13.810 1.00 93.93 26 A 1 ATOM 197 C CA . VAL A 1 26 ? 8.096 -7.153 -14.026 1.00 93.94 26 A 1 ATOM 198 C C . VAL A 1 26 ? 7.102 -6.025 -14.332 1.00 94.23 26 A 1 ATOM 199 O O . VAL A 1 26 ? 7.311 -4.900 -13.883 1.00 93.29 26 A 1 ATOM 200 C CB . VAL A 1 26 ? 9.142 -7.287 -15.151 1.00 93.95 26 A 1 ATOM 201 C CG1 . VAL A 1 26 ? 9.826 -5.955 -15.485 1.00 89.93 26 A 1 ATOM 202 C CG2 . VAL A 1 26 ? 10.250 -8.271 -14.747 1.00 89.05 26 A 1 ATOM 203 N N . GLU A 1 27 ? 6.009 -6.318 -15.045 1.00 93.10 27 A 1 ATOM 204 C CA . GLU A 1 27 ? 4.978 -5.336 -15.422 1.00 92.30 27 A 1 ATOM 205 C C . GLU A 1 27 ? 4.225 -4.799 -14.196 1.00 93.07 27 A 1 ATOM 206 O O . GLU A 1 27 ? 3.879 -3.623 -14.135 1.00 91.75 27 A 1 ATOM 207 C CB . GLU A 1 27 ? 3.989 -5.991 -16.403 1.00 92.02 27 A 1 ATOM 208 C CG . GLU A 1 27 ? 4.660 -6.387 -17.734 1.00 89.39 27 A 1 ATOM 209 C CD . GLU A 1 27 ? 3.796 -7.319 -18.605 1.00 86.88 27 A 1 ATOM 210 O OE1 . GLU A 1 27 ? 4.391 -7.933 -19.525 1.00 78.82 27 A 1 ATOM 211 O OE2 . GLU A 1 27 ? 2.591 -7.475 -18.320 1.00 81.16 27 A 1 ATOM 212 N N . TYR A 1 28 ? 4.045 -5.644 -13.186 1.00 93.40 28 A 1 ATOM 213 C CA . TYR A 1 28 ? 3.338 -5.296 -11.950 1.00 93.25 28 A 1 ATOM 214 C C . TYR A 1 28 ? 4.258 -4.738 -10.864 1.00 94.06 28 A 1 ATOM 215 O O . TYR A 1 28 ? 3.787 -4.150 -9.886 1.00 93.26 28 A 1 ATOM 216 C CB . TYR A 1 28 ? 2.591 -6.536 -11.445 1.00 93.72 28 A 1 ATOM 217 C CG . TYR A 1 28 ? 1.610 -7.095 -12.453 1.00 94.55 28 A 1 ATOM 218 C CD1 . TYR A 1 28 ? 0.388 -6.433 -12.689 1.00 89.40 28 A 1 ATOM 219 C CD2 . TYR A 1 28 ? 1.935 -8.250 -13.189 1.00 90.51 28 A 1 ATOM 220 C CE1 . TYR A 1 28 ? -0.508 -6.930 -13.652 1.00 88.60 28 A 1 ATOM 221 C CE2 . TYR A 1 28 ? 1.044 -8.748 -14.155 1.00 88.99 28 A 1 ATOM 222 C CZ . TYR A 1 28 ? -0.182 -8.087 -14.388 1.00 91.33 28 A 1 ATOM 223 O OH . TYR A 1 28 ? -1.047 -8.567 -15.320 1.00 88.99 28 A 1 ATOM 224 N N . PHE A 1 29 ? 5.577 -4.918 -11.014 1.00 92.97 29 A 1 ATOM 225 C CA . PHE A 1 29 ? 6.530 -4.648 -9.941 1.00 92.74 29 A 1 ATOM 226 C C . PHE A 1 29 ? 6.506 -3.194 -9.456 1.00 92.85 29 A 1 ATOM 227 O O . PHE A 1 29 ? 6.556 -2.954 -8.249 1.00 92.44 29 A 1 ATOM 228 C CB . PHE A 1 29 ? 7.937 -5.046 -10.397 1.00 93.24 29 A 1 ATOM 229 C CG . PHE A 1 29 ? 8.978 -4.784 -9.333 1.00 93.70 29 A 1 ATOM 230 C CD1 . PHE A 1 29 ? 9.856 -3.689 -9.451 1.00 88.01 29 A 1 ATOM 231 C CD2 . PHE A 1 29 ? 9.001 -5.582 -8.175 1.00 88.63 29 A 1 ATOM 232 C CE1 . PHE A 1 29 ? 10.746 -3.393 -8.409 1.00 87.32 29 A 1 ATOM 233 C CE2 . PHE A 1 29 ? 9.884 -5.281 -7.132 1.00 87.59 29 A 1 ATOM 234 C CZ . PHE A 1 29 ? 10.753 -4.183 -7.248 1.00 91.04 29 A 1 ATOM 235 N N . ALA A 1 30 ? 6.401 -2.223 -10.368 1.00 93.48 30 A 1 ATOM 236 C CA . ALA A 1 30 ? 6.403 -0.801 -10.009 1.00 92.84 30 A 1 ATOM 237 C C . ALA A 1 30 ? 5.225 -0.433 -9.083 1.00 92.55 30 A 1 ATOM 238 O O . ALA A 1 30 ? 5.424 0.203 -8.045 1.00 91.85 30 A 1 ATOM 239 C CB . ALA A 1 30 ? 6.394 0.023 -11.306 1.00 93.22 30 A 1 ATOM 240 N N . GLU A 1 31 ? 4.016 -0.894 -9.417 1.00 90.15 31 A 1 ATOM 241 C CA . GLU A 1 31 ? 2.821 -0.653 -8.597 1.00 89.93 31 A 1 ATOM 242 C C . GLU A 1 31 ? 2.874 -1.427 -7.271 1.00 90.71 31 A 1 ATOM 243 O O . GLU A 1 31 ? 2.563 -0.873 -6.209 1.00 89.03 31 A 1 ATOM 244 C CB . GLU A 1 31 ? 1.554 -1.001 -9.394 1.00 90.25 31 A 1 ATOM 245 C CG . GLU A 1 31 ? 1.284 -0.018 -10.551 1.00 81.77 31 A 1 ATOM 246 C CD . GLU A 1 31 ? 1.182 1.445 -10.082 1.00 75.55 31 A 1 ATOM 247 O OE1 . GLU A 1 31 ? 1.736 2.333 -10.764 1.00 67.37 31 A 1 ATOM 248 O OE2 . GLU A 1 31 ? 0.613 1.710 -8.991 1.00 67.68 31 A 1 ATOM 249 N N . CYS A 1 32 ? 3.373 -2.671 -7.284 1.00 89.73 32 A 1 ATOM 250 C CA . CYS A 1 32 ? 3.576 -3.453 -6.060 1.00 90.42 32 A 1 ATOM 251 C C . CYS A 1 32 ? 4.610 -2.809 -5.128 1.00 90.67 32 A 1 ATOM 252 O O . CYS A 1 32 ? 4.432 -2.799 -3.909 1.00 91.50 32 A 1 ATOM 253 C CB . CYS A 1 32 ? 4.003 -4.876 -6.442 1.00 92.47 32 A 1 ATOM 254 S SG . CYS A 1 32 ? 2.621 -5.728 -7.253 1.00 92.51 32 A 1 ATOM 255 N N . LEU A 1 33 ? 5.669 -2.226 -5.687 1.00 90.95 33 A 1 ATOM 256 C CA . LEU A 1 33 ? 6.678 -1.504 -4.912 1.00 90.56 33 A 1 ATOM 257 C C . LEU A 1 33 ? 6.082 -0.251 -4.259 1.00 90.08 33 A 1 ATOM 258 O O . LEU A 1 33 ? 6.288 -0.012 -3.067 1.00 90.15 33 A 1 ATOM 259 C CB . LEU A 1 33 ? 7.870 -1.173 -5.829 1.00 91.35 33 A 1 ATOM 260 C CG . LEU A 1 33 ? 9.048 -0.513 -5.098 1.00 86.98 33 A 1 ATOM 261 C CD1 . LEU A 1 33 ? 9.662 -1.431 -4.038 1.00 80.43 33 A 1 ATOM 262 C CD2 . LEU A 1 33 ? 10.139 -0.145 -6.101 1.00 82.58 33 A 1 ATOM 263 N N . LYS A 1 34 ? 5.291 0.518 -5.011 1.00 89.55 34 A 1 ATOM 264 C CA . LYS A 1 34 ? 4.559 1.682 -4.488 1.00 88.22 34 A 1 ATOM 265 C C . LYS A 1 34 ? 3.614 1.279 -3.359 1.00 87.77 34 A 1 ATOM 266 O O . LYS A 1 34 ? 3.666 1.881 -2.282 1.00 87.37 34 A 1 ATOM 267 C CB . LYS A 1 34 ? 3.820 2.343 -5.655 1.00 88.46 34 A 1 ATOM 268 C CG . LYS A 1 34 ? 3.084 3.636 -5.266 1.00 84.60 34 A 1 ATOM 269 C CD . LYS A 1 34 ? 2.366 4.132 -6.519 1.00 81.47 34 A 1 ATOM 270 C CE . LYS A 1 34 ? 1.501 5.368 -6.288 1.00 75.21 34 A 1 ATOM 271 N NZ . LYS A 1 34 ? 0.740 5.648 -7.535 1.00 67.16 34 A 1 ATOM 272 N N . LYS A 1 35 ? 2.823 0.223 -3.551 1.00 88.77 35 A 1 ATOM 273 C CA . LYS A 1 35 ? 1.941 -0.355 -2.525 1.00 87.17 35 A 1 ATOM 274 C C . LYS A 1 35 ? 2.721 -0.767 -1.276 1.00 87.13 35 A 1 ATOM 275 O O . LYS A 1 35 ? 2.337 -0.391 -0.170 1.00 86.18 35 A 1 ATOM 276 C CB . LYS A 1 35 ? 1.188 -1.542 -3.146 1.00 86.85 35 A 1 ATOM 277 C CG . LYS A 1 35 ? 0.213 -2.226 -2.176 1.00 82.65 35 A 1 ATOM 278 C CD . LYS A 1 35 ? -0.358 -3.485 -2.836 1.00 80.31 35 A 1 ATOM 279 C CE . LYS A 1 35 ? -1.152 -4.344 -1.846 1.00 73.47 35 A 1 ATOM 280 N NZ . LYS A 1 35 ? -1.212 -5.757 -2.309 1.00 66.93 35 A 1 ATOM 281 N N . SER A 1 36 ? 3.853 -1.457 -1.435 1.00 88.77 36 A 1 ATOM 282 C CA . SER A 1 36 ? 4.698 -1.890 -0.312 1.00 88.43 36 A 1 ATOM 283 C C . SER A 1 36 ? 5.267 -0.705 0.478 1.00 88.12 36 A 1 ATOM 284 O O . SER A 1 36 ? 5.303 -0.730 1.710 1.00 87.11 36 A 1 ATOM 285 C CB . SER A 1 36 ? 5.845 -2.771 -0.816 1.00 88.76 36 A 1 ATOM 286 O OG . SER A 1 36 ? 5.341 -3.933 -1.433 1.00 78.24 36 A 1 ATOM 287 N N . HIS A 1 37 ? 5.657 0.374 -0.213 1.00 87.19 37 A 1 ATOM 288 C CA . HIS A 1 37 ? 6.056 1.618 0.452 1.00 86.70 37 A 1 ATOM 289 C C . HIS A 1 37 ? 4.898 2.271 1.218 1.00 86.05 37 A 1 ATOM 290 O O . HIS A 1 37 ? 5.101 2.740 2.339 1.00 85.77 37 A 1 ATOM 291 C CB . HIS A 1 37 ? 6.635 2.602 -0.569 1.00 88.22 37 A 1 ATOM 292 C CG . HIS A 1 37 ? 8.087 2.350 -0.870 1.00 85.27 37 A 1 ATOM 293 N ND1 . HIS A 1 37 ? 9.127 2.498 0.025 1.00 73.15 37 A 1 ATOM 294 C CD2 . HIS A 1 37 ? 8.635 1.973 -2.062 1.00 72.53 37 A 1 ATOM 295 C CE1 . HIS A 1 37 ? 10.269 2.217 -0.621 1.00 75.64 37 A 1 ATOM 296 N NE2 . HIS A 1 37 ? 10.019 1.893 -1.896 1.00 78.02 37 A 1 ATOM 297 N N . MET A 1 38 ? 3.694 2.292 0.651 1.00 84.96 38 A 1 ATOM 298 C CA . MET A 1 38 ? 2.504 2.818 1.331 1.00 83.44 38 A 1 ATOM 299 C C . MET A 1 38 ? 2.187 2.010 2.592 1.00 82.83 38 A 1 ATOM 300 O O . MET A 1 38 ? 2.067 2.607 3.660 1.00 81.37 38 A 1 ATOM 301 C CB . MET A 1 38 ? 1.301 2.840 0.381 1.00 81.76 38 A 1 ATOM 302 C CG . MET A 1 38 ? 1.450 3.908 -0.704 1.00 73.27 38 A 1 ATOM 303 S SD . MET A 1 38 ? 0.112 3.941 -1.924 1.00 67.27 38 A 1 ATOM 304 C CE . MET A 1 38 ? -1.289 4.469 -0.893 1.00 59.49 38 A 1 ATOM 305 N N . ILE A 1 39 ? 2.168 0.678 2.498 1.00 86.01 39 A 1 ATOM 306 C CA . ILE A 1 39 ? 1.955 -0.215 3.650 1.00 84.15 39 A 1 ATOM 307 C C . ILE A 1 39 ? 2.998 0.045 4.739 1.00 83.46 39 A 1 ATOM 308 O O . ILE A 1 39 ? 2.652 0.165 5.913 1.00 81.51 39 A 1 ATOM 309 C CB . ILE A 1 39 ? 1.977 -1.695 3.200 1.00 84.95 39 A 1 ATOM 310 C CG1 . ILE A 1 39 ? 0.734 -2.003 2.330 1.00 83.28 39 A 1 ATOM 311 C CG2 . ILE A 1 39 ? 2.022 -2.653 4.410 1.00 81.99 39 A 1 ATOM 312 C CD1 . ILE A 1 39 ? 0.811 -3.341 1.595 1.00 76.43 39 A 1 ATOM 313 N N . ASN A 1 40 ? 4.276 0.170 4.365 1.00 85.85 40 A 1 ATOM 314 C CA . ASN A 1 40 ? 5.332 0.473 5.330 1.00 84.97 40 A 1 ATOM 315 C C . ASN A 1 40 ? 5.102 1.812 6.039 1.00 84.08 40 A 1 ATOM 316 O O . ASN A 1 40 ? 5.260 1.892 7.256 1.00 82.30 40 A 1 ATOM 317 C CB . ASN A 1 40 ? 6.694 0.459 4.622 1.00 85.39 40 A 1 ATOM 318 C CG . ASN A 1 40 ? 7.814 0.665 5.630 1.00 80.77 40 A 1 ATOM 319 O OD1 . ASN A 1 40 ? 7.956 -0.064 6.593 1.00 75.06 40 A 1 ATOM 320 N ND2 . ASN A 1 40 ? 8.643 1.666 5.449 1.00 74.08 40 A 1 ATOM 321 N N . ARG A 1 41 ? 4.707 2.857 5.302 1.00 83.79 41 A 1 ATOM 322 C CA . ARG A 1 41 ? 4.384 4.169 5.883 1.00 82.55 41 A 1 ATOM 323 C C . ARG A 1 41 ? 3.191 4.069 6.827 1.00 82.80 41 A 1 ATOM 324 O O . ARG A 1 41 ? 3.306 4.498 7.966 1.00 79.65 41 A 1 ATOM 325 C CB . ARG A 1 41 ? 4.139 5.210 4.783 1.00 82.11 41 A 1 ATOM 326 C CG . ARG A 1 41 ? 5.434 5.602 4.057 1.00 74.92 41 A 1 ATOM 327 C CD . ARG A 1 41 ? 5.171 6.622 2.942 1.00 72.99 41 A 1 ATOM 328 N NE . ARG A 1 41 ? 4.812 7.950 3.478 1.00 65.68 41 A 1 ATOM 329 C CZ . ARG A 1 41 ? 4.489 9.026 2.775 1.00 60.24 41 A 1 ATOM 330 N NH1 . ARG A 1 41 ? 4.433 9.006 1.471 1.00 55.51 41 A 1 ATOM 331 N NH2 . ARG A 1 41 ? 4.218 10.153 3.377 1.00 50.57 41 A 1 ATOM 332 N N . THR A 1 42 ? 2.103 3.440 6.408 1.00 84.83 42 A 1 ATOM 333 C CA . THR A 1 42 ? 0.907 3.244 7.246 1.00 81.80 42 A 1 ATOM 334 C C . THR A 1 42 ? 1.212 2.428 8.501 1.00 81.70 42 A 1 ATOM 335 O O . THR A 1 42 ? 0.700 2.724 9.575 1.00 79.01 42 A 1 ATOM 336 C CB . THR A 1 42 ? -0.196 2.541 6.444 1.00 80.40 42 A 1 ATOM 337 O OG1 . THR A 1 42 ? -0.449 3.265 5.261 1.00 73.02 42 A 1 ATOM 338 C CG2 . THR A 1 42 ? -1.516 2.438 7.198 1.00 69.60 42 A 1 ATOM 339 N N . THR A 1 43 ? 2.076 1.413 8.398 1.00 81.66 43 A 1 ATOM 340 C CA . THR A 1 43 ? 2.478 0.595 9.553 1.00 81.23 43 A 1 ATOM 341 C C . THR A 1 43 ? 3.292 1.400 10.565 1.00 83.00 43 A 1 ATOM 342 O O . THR A 1 43 ? 3.119 1.199 11.760 1.00 80.78 43 A 1 ATOM 343 C CB . THR A 1 43 ? 3.266 -0.641 9.101 1.00 80.11 43 A 1 ATOM 344 O OG1 . THR A 1 43 ? 2.488 -1.381 8.195 1.00 73.92 43 A 1 ATOM 345 C CG2 . THR A 1 43 ? 3.600 -1.585 10.253 1.00 71.37 43 A 1 ATOM 346 N N . ALA A 1 44 ? 4.126 2.330 10.093 1.00 82.09 44 A 1 ATOM 347 C CA . ALA A 1 44 ? 4.953 3.188 10.939 1.00 81.77 44 A 1 ATOM 348 C C . ALA A 1 44 ? 4.171 4.321 11.634 1.00 82.73 44 A 1 ATOM 349 O O . ALA A 1 44 ? 4.695 4.933 12.559 1.00 79.21 44 A 1 ATOM 350 C CB . ALA A 1 44 ? 6.091 3.744 10.071 1.00 81.34 44 A 1 ATOM 351 N N . VAL A 1 45 ? 2.946 4.611 11.191 1.00 80.81 45 A 1 ATOM 352 C CA . VAL A 1 45 ? 2.073 5.624 11.800 1.00 80.54 45 A 1 ATOM 353 C C . VAL A 1 45 ? 1.542 5.125 13.153 1.00 82.03 45 A 1 ATOM 354 O O . VAL A 1 45 ? 1.243 3.935 13.304 1.00 80.70 45 A 1 ATOM 355 C CB . VAL A 1 45 ? 0.950 5.980 10.809 1.00 79.23 45 A 1 ATOM 356 C CG1 . VAL A 1 45 ? -0.149 6.852 11.390 1.00 71.90 45 A 1 ATOM 357 C CG2 . VAL A 1 45 ? 1.505 6.747 9.601 1.00 71.59 45 A 1 ATOM 358 N N . SER A 1 46 ? 1.414 6.025 14.137 1.00 83.49 46 A 1 ATOM 359 C CA . SER A 1 46 ? 0.910 5.699 15.474 1.00 83.63 46 A 1 ATOM 360 C C . SER A 1 46 ? -0.552 5.240 15.437 1.00 84.12 46 A 1 ATOM 361 O O . SER A 1 46 ? -1.274 5.471 14.463 1.00 84.30 46 A 1 ATOM 362 C CB . SER A 1 46 ? 1.089 6.878 16.443 1.00 83.40 46 A 1 ATOM 363 O OG . SER A 1 46 ? 0.133 7.891 16.194 1.00 80.07 46 A 1 ATOM 364 N N . PHE A 1 47 ? -0.997 4.571 16.499 1.00 83.43 47 A 1 ATOM 365 C CA . PHE A 1 47 ? -2.393 4.145 16.617 1.00 83.65 47 A 1 ATOM 366 C C . PHE A 1 47 ? -3.351 5.341 16.585 1.00 84.71 47 A 1 ATOM 367 O O . PHE A 1 47 ? -4.272 5.345 15.773 1.00 83.95 47 A 1 ATOM 368 C CB . PHE A 1 47 ? -2.567 3.312 17.888 1.00 82.74 47 A 1 ATOM 369 C CG . PHE A 1 47 ? -3.986 2.813 18.065 1.00 80.37 47 A 1 ATOM 370 C CD1 . PHE A 1 47 ? -4.893 3.534 18.868 1.00 75.65 47 A 1 ATOM 371 C CD2 . PHE A 1 47 ? -4.421 1.660 17.384 1.00 76.11 47 A 1 ATOM 372 C CE1 . PHE A 1 47 ? -6.226 3.105 18.988 1.00 72.66 47 A 1 ATOM 373 C CE2 . PHE A 1 47 ? -5.755 1.231 17.503 1.00 73.34 47 A 1 ATOM 374 C CZ . PHE A 1 47 ? -6.656 1.957 18.303 1.00 73.39 47 A 1 ATOM 375 N N . GLU A 1 48 ? -3.066 6.391 17.359 1.00 82.91 48 A 1 ATOM 376 C CA . GLU A 1 48 ? -3.872 7.622 17.417 1.00 84.80 48 A 1 ATOM 377 C C . GLU A 1 48 ? -4.032 8.291 16.044 1.00 85.37 48 A 1 ATOM 378 O O . GLU A 1 48 ? -5.112 8.735 15.663 1.00 83.87 48 A 1 ATOM 379 C CB . GLU A 1 48 ? -3.171 8.621 18.349 1.00 87.43 48 A 1 ATOM 380 C CG . GLU A 1 48 ? -3.071 8.151 19.813 1.00 81.76 48 A 1 ATOM 381 C CD . GLU A 1 48 ? -2.155 9.050 20.662 1.00 76.52 48 A 1 ATOM 382 O OE1 . GLU A 1 48 ? -2.074 8.801 21.881 1.00 68.31 48 A 1 ATOM 383 O OE2 . GLU A 1 48 ? -1.454 9.915 20.076 1.00 71.28 48 A 1 ATOM 384 N N . GLN A 1 49 ? -2.960 8.320 15.239 1.00 83.40 49 A 1 ATOM 385 C CA . GLN A 1 49 ? -3.023 8.878 13.886 1.00 82.66 49 A 1 ATOM 386 C C . GLN A 1 49 ? -3.871 8.018 12.936 1.00 83.87 49 A 1 ATOM 387 O O . GLN A 1 49 ? -4.514 8.556 12.033 1.00 82.49 49 A 1 ATOM 388 C CB . GLN A 1 49 ? -1.601 9.019 13.331 1.00 81.48 49 A 1 ATOM 389 C CG . GLN A 1 49 ? -0.819 10.157 14.006 1.00 77.45 49 A 1 ATOM 390 C CD . GLN A 1 49 ? 0.639 10.199 13.555 1.00 72.66 49 A 1 ATOM 391 O OE1 . GLN A 1 49 ? 1.295 9.200 13.293 1.00 68.96 49 A 1 ATOM 392 N NE2 . GLN A 1 49 ? 1.220 11.372 13.453 1.00 65.18 49 A 1 ATOM 393 N N . LYS A 1 50 ? -3.867 6.684 13.107 1.00 81.93 50 A 1 ATOM 394 C CA . LYS A 1 50 ? -4.729 5.774 12.338 1.00 81.56 50 A 1 ATOM 395 C C . LYS A 1 50 ? -6.191 5.947 12.730 1.00 83.03 50 A 1 ATOM 396 O O . LYS A 1 50 ? -7.032 6.007 11.841 1.00 83.61 50 A 1 ATOM 397 C CB . LYS A 1 50 ? -4.299 4.312 12.545 1.00 80.98 50 A 1 ATOM 398 C CG . LYS A 1 50 ? -2.956 4.007 11.870 1.00 80.75 50 A 1 ATOM 399 C CD . LYS A 1 50 ? -2.416 2.649 12.330 1.00 78.62 50 A 1 ATOM 400 C CE . LYS A 1 50 ? -1.063 2.428 11.658 1.00 74.97 50 A 1 ATOM 401 N NZ . LYS A 1 50 ? -0.221 1.431 12.360 1.00 69.32 50 A 1 ATOM 402 N N . GLU A 1 51 ? -6.469 6.046 14.023 1.00 82.01 51 A 1 ATOM 403 C CA . GLU A 1 51 ? -7.806 6.299 14.565 1.00 84.28 51 A 1 ATOM 404 C C . GLU A 1 51 ? -8.364 7.618 14.020 1.00 84.78 51 A 1 ATOM 405 O O . GLU A 1 51 ? -9.396 7.609 13.346 1.00 84.29 51 A 1 ATOM 406 C CB . GLU A 1 51 ? -7.711 6.269 16.096 1.00 84.99 51 A 1 ATOM 407 C CG . GLU A 1 51 ? -9.072 6.393 16.799 1.00 79.18 51 A 1 ATOM 408 C CD . GLU A 1 51 ? -8.945 6.125 18.312 1.00 77.58 51 A 1 ATOM 409 O OE1 . GLU A 1 51 ? -9.898 5.565 18.894 1.00 70.99 51 A 1 ATOM 410 O OE2 . GLU A 1 51 ? -7.857 6.399 18.878 1.00 73.09 51 A 1 ATOM 411 N N . TYR A 1 52 ? -7.611 8.714 14.134 1.00 83.31 52 A 1 ATOM 412 C CA . TYR A 1 52 ? -7.988 10.005 13.555 1.00 84.40 52 A 1 ATOM 413 C C . TYR A 1 52 ? -8.278 9.931 12.046 1.00 85.87 52 A 1 ATOM 414 O O . TYR A 1 52 ? -9.248 10.511 11.556 1.00 84.17 52 A 1 ATOM 415 C CB . TYR A 1 52 ? -6.861 11.013 13.829 1.00 84.94 52 A 1 ATOM 416 C CG . TYR A 1 52 ? -7.139 12.378 13.236 1.00 82.89 52 A 1 ATOM 417 C CD1 . TYR A 1 52 ? -6.525 12.773 12.029 1.00 78.16 52 A 1 ATOM 418 C CD2 . TYR A 1 52 ? -8.060 13.235 13.868 1.00 78.25 52 A 1 ATOM 419 C CE1 . TYR A 1 52 ? -6.829 14.022 11.459 1.00 76.15 52 A 1 ATOM 420 C CE2 . TYR A 1 52 ? -8.372 14.484 13.299 1.00 76.92 52 A 1 ATOM 421 C CZ . TYR A 1 52 ? -7.756 14.878 12.092 1.00 76.78 52 A 1 ATOM 422 O OH . TYR A 1 52 ? -8.066 16.085 11.535 1.00 76.73 52 A 1 ATOM 423 N N . ALA A 1 53 ? -7.456 9.199 11.284 1.00 83.81 53 A 1 ATOM 424 C CA . ALA A 1 53 ? -7.690 9.040 9.848 1.00 82.64 53 A 1 ATOM 425 C C . ALA A 1 53 ? -8.990 8.270 9.546 1.00 83.97 53 A 1 ATOM 426 O O . ALA A 1 53 ? -9.677 8.598 8.576 1.00 83.57 53 A 1 ATOM 427 C CB . ALA A 1 53 ? -6.469 8.356 9.218 1.00 80.79 53 A 1 ATOM 428 N N . VAL A 1 54 ? -9.326 7.263 10.356 1.00 82.03 54 A 1 ATOM 429 C CA . VAL A 1 54 ? -10.586 6.515 10.247 1.00 84.48 54 A 1 ATOM 430 C C . VAL A 1 54 ? -11.775 7.412 10.579 1.00 86.22 54 A 1 ATOM 431 O O . VAL A 1 54 ? -12.731 7.431 9.806 1.00 86.44 54 A 1 ATOM 432 C CB . VAL A 1 54 ? -10.563 5.249 11.126 1.00 83.41 54 A 1 ATOM 433 C CG1 . VAL A 1 54 ? -11.932 4.564 11.218 1.00 78.25 54 A 1 ATOM 434 C CG2 . VAL A 1 54 ? -9.587 4.215 10.535 1.00 77.17 54 A 1 ATOM 435 N N . ASP A 1 55 ? -11.694 8.209 11.644 1.00 84.31 55 A 1 ATOM 436 C CA . ASP A 1 55 ? -12.762 9.133 12.037 1.00 85.46 55 A 1 ATOM 437 C C . ASP A 1 55 ? -13.052 10.174 10.951 1.00 86.48 55 A 1 ATOM 438 O O . ASP A 1 55 ? -14.205 10.399 10.576 1.00 86.65 55 A 1 ATOM 439 C CB . ASP A 1 55 ? -12.380 9.852 13.339 1.00 85.98 55 A 1 ATOM 440 C CG . ASP A 1 55 ? -12.369 8.935 14.566 1.00 83.32 55 A 1 ATOM 441 O OD1 . ASP A 1 55 ? -13.006 7.858 14.504 1.00 77.63 55 A 1 ATOM 442 O OD2 . ASP A 1 55 ? -11.747 9.367 15.562 1.00 77.61 55 A 1 ATOM 443 N N . VAL A 1 56 ? -12.003 10.763 10.370 1.00 84.07 56 A 1 ATOM 444 C CA . VAL A 1 56 ? -12.142 11.710 9.252 1.00 84.59 56 A 1 ATOM 445 C C . VAL A 1 56 ? -12.761 11.036 8.026 1.00 85.76 56 A 1 ATOM 446 O O . VAL A 1 56 ? -13.648 11.609 7.388 1.00 85.28 56 A 1 ATOM 447 C CB . VAL A 1 56 ? -10.782 12.347 8.903 1.00 84.00 56 A 1 ATOM 448 C CG1 . VAL A 1 56 ? -10.838 13.195 7.622 1.00 79.44 56 A 1 ATOM 449 C CG2 . VAL A 1 56 ? -10.314 13.279 10.030 1.00 78.06 56 A 1 ATOM 450 N N . ALA A 1 57 ? -12.324 9.815 7.689 1.00 85.04 57 A 1 ATOM 451 C CA . ALA A 1 57 ? -12.886 9.073 6.562 1.00 84.79 57 A 1 ATOM 452 C C . ALA A 1 57 ? -14.364 8.723 6.793 1.00 86.40 57 A 1 ATOM 453 O O . ALA A 1 57 ? -15.179 8.875 5.882 1.00 86.38 57 A 1 ATOM 454 C CB . ALA A 1 57 ? -12.037 7.818 6.322 1.00 83.57 57 A 1 ATOM 455 N N . TYR A 1 58 ? -14.718 8.298 8.004 1.00 84.23 58 A 1 ATOM 456 C CA . TYR A 1 58 ? -16.095 7.992 8.374 1.00 85.01 58 A 1 ATOM 457 C C . TYR A 1 58 ? -16.988 9.232 8.280 1.00 86.25 58 A 1 ATOM 458 O O . TYR A 1 58 ? -18.022 9.194 7.611 1.00 86.52 58 A 1 ATOM 459 C CB . TYR A 1 58 ? -16.116 7.374 9.777 1.00 83.91 58 A 1 ATOM 460 C CG . TYR A 1 58 ? -17.487 6.859 10.162 1.00 75.78 58 A 1 ATOM 461 C CD1 . TYR A 1 58 ? -18.348 7.645 10.951 1.00 70.30 58 A 1 ATOM 462 C CD2 . TYR A 1 58 ? -17.916 5.599 9.694 1.00 69.34 58 A 1 ATOM 463 C CE1 . TYR A 1 58 ? -19.634 7.172 11.278 1.00 66.05 58 A 1 ATOM 464 C CE2 . TYR A 1 58 ? -19.200 5.123 10.014 1.00 66.07 58 A 1 ATOM 465 C CZ . TYR A 1 58 ? -20.061 5.913 10.807 1.00 65.83 58 A 1 ATOM 466 O OH . TYR A 1 58 ? -21.307 5.457 11.112 1.00 63.62 58 A 1 ATOM 467 N N . ALA A 1 59 ? -16.549 10.363 8.854 1.00 85.51 59 A 1 ATOM 468 C CA . ALA A 1 59 ? -17.273 11.632 8.753 1.00 85.95 59 A 1 ATOM 469 C C . ALA A 1 59 ? -17.484 12.072 7.293 1.00 87.23 59 A 1 ATOM 470 O O . ALA A 1 59 ? -18.583 12.485 6.922 1.00 86.58 59 A 1 ATOM 471 C CB . ALA A 1 59 ? -16.501 12.691 9.552 1.00 85.56 59 A 1 ATOM 472 N N . ALA A 1 60 ? -16.465 11.926 6.439 1.00 85.02 60 A 1 ATOM 473 C CA . ALA A 1 60 ? -16.582 12.246 5.016 1.00 85.39 60 A 1 ATOM 474 C C . ALA A 1 60 ? -17.605 11.351 4.299 1.00 86.40 60 A 1 ATOM 475 O O . ALA A 1 60 ? -18.404 11.854 3.508 1.00 85.98 60 A 1 ATOM 476 C CB . ALA A 1 60 ? -15.193 12.143 4.372 1.00 84.40 60 A 1 ATOM 477 N N . ILE A 1 61 ? -17.614 10.041 4.586 1.00 85.39 61 A 1 ATOM 478 C CA . ILE A 1 61 ? -18.599 9.102 4.024 1.00 85.36 61 A 1 ATOM 479 C C . ILE A 1 61 ? -20.015 9.475 4.469 1.00 85.35 61 A 1 ATOM 480 O O . ILE A 1 61 ? -20.916 9.505 3.632 1.00 84.88 61 A 1 ATOM 481 C CB . ILE A 1 61 ? -18.241 7.644 4.403 1.00 85.05 61 A 1 ATOM 482 C CG1 . ILE A 1 61 ? -16.961 7.203 3.655 1.00 80.93 61 A 1 ATOM 483 C CG2 . ILE A 1 61 ? -19.396 6.674 4.072 1.00 79.38 61 A 1 ATOM 484 C CD1 . ILE A 1 61 ? -16.320 5.934 4.236 1.00 75.46 61 A 1 ATOM 485 N N . THR A 1 62 ? -20.214 9.813 5.748 1.00 85.03 62 A 1 ATOM 486 C CA . THR A 1 62 ? -21.521 10.240 6.270 1.00 84.28 62 A 1 ATOM 487 C C . THR A 1 62 ? -22.019 11.499 5.558 1.00 84.54 62 A 1 ATOM 488 O O . THR A 1 62 ? -23.135 11.508 5.051 1.00 84.10 62 A 1 ATOM 489 C CB . THR A 1 62 ? -21.455 10.470 7.786 1.00 83.52 62 A 1 ATOM 490 O OG1 . THR A 1 62 ? -20.991 9.301 8.425 1.00 78.64 62 A 1 ATOM 491 C CG2 . THR A 1 62 ? -22.821 10.776 8.392 1.00 76.75 62 A 1 ATOM 492 N N . ILE A 1 63 ? -21.177 12.527 5.410 1.00 85.19 63 A 1 ATOM 493 C CA . ILE A 1 63 ? -21.541 13.763 4.695 1.00 85.02 63 A 1 ATOM 494 C C . ILE A 1 63 ? -21.916 13.477 3.234 1.00 85.22 63 A 1 ATOM 495 O O . ILE A 1 63 ? -22.873 14.052 2.716 1.00 84.71 63 A 1 ATOM 496 C CB . ILE A 1 63 ? -20.387 14.790 4.785 1.00 84.35 63 A 1 ATOM 497 C CG1 . ILE A 1 63 ? -20.234 15.291 6.241 1.00 81.95 63 A 1 ATOM 498 C CG2 . ILE A 1 63 ? -20.615 15.992 3.843 1.00 80.80 63 A 1 ATOM 499 C CD1 . ILE A 1 63 ? -18.906 16.010 6.505 1.00 75.17 63 A 1 ATOM 500 N N . LEU A 1 64 ? -21.179 12.590 2.553 1.00 84.68 64 A 1 ATOM 501 C CA . LEU A 1 64 ? -21.489 12.212 1.170 1.00 83.20 64 A 1 ATOM 502 C C . LEU A 1 64 ? -22.803 11.426 1.064 1.00 82.80 64 A 1 ATOM 503 O O . LEU A 1 64 ? -23.550 11.628 0.107 1.00 82.10 64 A 1 ATOM 504 C CB . LEU A 1 64 ? -20.325 11.393 0.585 1.00 83.23 64 A 1 ATOM 505 C CG . LEU A 1 64 ? -19.055 12.211 0.286 1.00 77.78 64 A 1 ATOM 506 C CD1 . LEU A 1 64 ? -17.918 11.249 -0.080 1.00 73.98 64 A 1 ATOM 507 C CD2 . LEU A 1 64 ? -19.248 13.185 -0.875 1.00 74.06 64 A 1 ATOM 508 N N . ALA A 1 65 ? -23.082 10.549 2.032 1.00 83.04 65 A 1 ATOM 509 C CA . ALA A 1 65 ? -24.329 9.790 2.076 1.00 81.29 65 A 1 ATOM 510 C C . ALA A 1 65 ? -25.538 10.702 2.338 1.00 80.45 65 A 1 ATOM 511 O O . ALA A 1 65 ? -26.533 10.618 1.618 1.00 77.91 65 A 1 ATOM 512 C CB . ALA A 1 65 ? -24.195 8.690 3.136 1.00 80.41 65 A 1 ATOM 513 N N . ASP A 1 66 ? -25.420 11.629 3.293 1.00 80.48 66 A 1 ATOM 514 C CA . ASP A 1 66 ? -26.483 12.582 3.631 1.00 78.34 66 A 1 ATOM 515 C C . ASP A 1 66 ? -26.683 13.642 2.533 1.00 75.73 66 A 1 ATOM 516 O O . ASP A 1 66 ? -27.811 14.034 2.228 1.00 71.35 66 A 1 ATOM 517 C CB . ASP A 1 66 ? -26.151 13.255 4.975 1.00 76.97 66 A 1 ATOM 518 C CG . ASP A 1 66 ? -26.191 12.310 6.188 1.00 71.44 66 A 1 ATOM 519 O OD1 . ASP A 1 66 ? -26.784 11.211 6.085 1.00 67.07 66 A 1 ATOM 520 O OD2 . ASP A 1 66 ? -25.640 12.713 7.243 1.00 66.62 66 A 1 ATOM 521 N N . GLY A 1 67 ? -25.591 14.071 1.881 1.00 72.61 67 A 1 ATOM 522 C CA . GLY A 1 67 ? -25.628 15.018 0.762 1.00 70.43 67 A 1 ATOM 523 C C . GLY A 1 67 ? -26.177 14.436 -0.549 1.00 68.08 67 A 1 ATOM 524 O O . GLY A 1 67 ? -26.550 15.198 -1.440 1.00 64.12 67 A 1 ATOM 525 N N . ALA A 1 68 ? -26.258 13.104 -0.682 1.00 60.27 68 A 1 ATOM 526 C CA . ALA A 1 68 ? -26.852 12.431 -1.842 1.00 58.38 68 A 1 ATOM 527 C C . ALA A 1 68 ? -28.393 12.325 -1.776 1.00 56.83 68 A 1 ATOM 528 O O . ALA A 1 68 ? -29.004 11.773 -2.692 1.00 53.08 68 A 1 ATOM 529 C CB . ALA A 1 68 ? -26.181 11.059 -2.005 1.00 55.44 68 A 1 ATOM 530 N N . VAL A 1 69 ? -29.019 12.837 -0.709 1.00 49.95 69 A 1 ATOM 531 C CA . VAL A 1 69 ? -30.483 12.801 -0.482 1.00 51.83 69 A 1 ATOM 532 C C . VAL A 1 69 ? -31.181 14.097 -0.959 1.00 50.45 69 A 1 ATOM 533 O O . VAL A 1 69 ? -32.342 14.330 -0.638 1.00 47.51 69 A 1 ATOM 534 C CB . VAL A 1 69 ? -30.796 12.392 0.986 1.00 50.82 69 A 1 ATOM 535 C CG1 . VAL A 1 69 ? -32.285 12.129 1.274 1.00 45.34 69 A 1 ATOM 536 C CG2 . VAL A 1 69 ? -30.081 11.074 1.351 1.00 46.09 69 A 1 ATOM 537 N N . LEU A 1 70 ? -30.496 14.943 -1.754 1.00 39.38 70 A 1 ATOM 538 C CA . LEU A 1 70 ? -31.073 16.142 -2.385 1.00 41.94 70 A 1 ATOM 539 C C . LEU A 1 70 ? -31.325 15.933 -3.883 1.00 39.83 70 A 1 ATOM 540 O O . LEU A 1 70 ? -30.409 15.462 -4.580 1.00 36.94 70 A 1 ATOM 541 C CB . LEU A 1 70 ? -30.177 17.368 -2.117 1.00 40.12 70 A 1 ATOM 542 C CG . LEU A 1 70 ? -30.196 17.874 -0.660 1.00 37.03 70 A 1 ATOM 543 C CD1 . LEU A 1 70 ? -29.123 18.955 -0.488 1.00 34.85 70 A 1 ATOM 544 C CD2 . LEU A 1 70 ? -31.546 18.488 -0.281 1.00 35.78 70 A 1 ATOM 545 O OXT . LEU A 1 70 ? -32.435 16.298 -4.300 1.00 36.12 70 A 1 #