# 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_adfb # _entry.id adfb # 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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" "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 LYS 2 1 n ILE 3 1 n ILE 4 1 n ASN 5 1 n PHE 6 1 n VAL 7 1 n ASN 8 1 n PRO 9 1 n ASN 10 1 n ASN 11 1 n THR 12 1 n MET 13 1 n ASP 14 1 n GLY 15 1 n TYR 16 1 n LYS 17 1 n LEU 18 1 n LEU 19 1 n VAL 20 1 n HIS 21 1 n CYS 22 1 n VAL 23 1 n PHE 24 1 n SER 25 1 n GLY 26 1 n PHE 27 1 n ASP 28 1 n TYR 29 1 n ASP 30 1 n ASN 31 1 n THR 32 1 n LYS 33 1 n PHE 34 1 n TYR 35 1 n MET 36 1 n ASN 37 1 n ARG 38 1 n GLU 39 1 n GLY 40 1 n PHE 41 1 n TYR 42 1 n LEU 43 1 n PRO 44 1 n GLU 45 1 n ASP 46 1 n GLN 47 1 n PHE 48 1 n ASN 49 1 n ALA 50 1 n PHE 51 1 n LYS 52 1 n SER 53 1 n CYS 54 1 n CYS 55 1 n ASP 56 1 n ILE 57 1 n MET 58 1 n MET 59 1 n ASP 60 1 n LEU 61 1 n GLY 62 1 n ILE 63 1 n GLY 64 1 n ASP 65 1 n ARG 66 1 n LYS 67 1 n LYS 68 1 n GLU 69 1 n VAL 70 1 n SER 71 1 n LEU 72 1 n VAL 73 1 n GLN 74 1 n GLY 75 1 n GLY 76 # _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 @ 2025-04-07 01:01:15)" _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 81.44 _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 79.19 1 1 A LYS 2 2 80.09 1 2 A ILE 3 2 82.00 1 3 A ILE 4 2 81.87 1 4 A ASN 5 2 78.39 1 5 A PHE 6 2 76.99 1 6 A VAL 7 2 77.35 1 7 A ASN 8 2 80.10 1 8 A PRO 9 2 81.13 1 9 A ASN 10 2 82.34 1 10 A ASN 11 2 81.20 1 11 A THR 12 2 89.40 1 12 A MET 13 2 85.83 1 13 A ASP 14 2 86.82 1 14 A GLY 15 2 94.27 1 15 A TYR 16 2 89.17 1 16 A LYS 17 2 88.23 1 17 A LEU 18 2 93.97 1 18 A LEU 19 2 94.11 1 19 A VAL 20 2 91.74 1 20 A HIS 21 2 82.98 1 21 A CYS 22 2 93.67 1 22 A VAL 23 2 91.61 1 23 A PHE 24 2 83.12 1 24 A SER 25 2 86.85 1 25 A GLY 26 2 89.33 1 26 A PHE 27 2 90.01 1 27 A ASP 28 2 92.67 1 28 A TYR 29 2 96.14 1 29 A ASP 30 2 95.62 1 30 A ASN 31 2 92.80 1 31 A THR 32 2 96.54 1 32 A LYS 33 2 93.24 1 33 A PHE 34 2 95.98 1 34 A TYR 35 2 93.79 1 35 A MET 36 2 93.05 1 36 A ASN 37 2 92.14 1 37 A ARG 38 2 83.26 1 38 A GLU 39 2 90.07 1 39 A GLY 40 2 94.42 1 40 A PHE 41 2 93.16 1 41 A TYR 42 2 87.47 1 42 A LEU 43 2 93.34 1 43 A PRO 44 2 93.27 1 44 A GLU 45 2 93.21 1 45 A ASP 46 2 89.92 1 46 A GLN 47 2 83.86 1 47 A PHE 48 2 95.58 1 48 A ASN 49 2 94.42 1 49 A ALA 50 2 94.31 1 50 A PHE 51 2 90.94 1 51 A LYS 52 2 89.91 1 52 A SER 53 2 91.95 1 53 A CYS 54 2 89.10 1 54 A CYS 55 2 89.24 1 55 A ASP 56 2 85.92 1 56 A ILE 57 2 85.88 1 57 A MET 58 2 78.68 1 58 A MET 59 2 75.32 1 59 A ASP 60 2 75.81 1 60 A LEU 61 2 77.42 1 61 A GLY 62 2 75.72 1 62 A ILE 63 2 69.41 1 63 A GLY 64 2 58.41 1 64 A ASP 65 2 49.29 1 65 A ARG 66 2 40.19 1 66 A LYS 67 2 44.75 1 67 A LYS 68 2 47.69 1 68 A GLU 69 2 44.18 1 69 A VAL 70 2 48.89 1 70 A SER 71 2 52.05 1 71 A LEU 72 2 52.49 1 72 A VAL 73 2 55.17 1 73 A GLN 74 2 51.13 1 74 A GLY 75 2 51.16 1 75 A GLY 76 2 43.94 1 76 # _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 LYS . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n ASN . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n ASN . 10 A 10 A 11 1 n ASN . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n ASP . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n TYR . 16 A 16 A 17 1 n LYS . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n HIS . 21 A 21 A 22 1 n CYS . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n PHE . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n GLY . 26 A 26 A 27 1 n PHE . 27 A 27 A 28 1 n ASP . 28 A 28 A 29 1 n TYR . 29 A 29 A 30 1 n ASP . 30 A 30 A 31 1 n ASN . 31 A 31 A 32 1 n THR . 32 A 32 A 33 1 n LYS . 33 A 33 A 34 1 n PHE . 34 A 34 A 35 1 n TYR . 35 A 35 A 36 1 n MET . 36 A 36 A 37 1 n ASN . 37 A 37 A 38 1 n ARG . 38 A 38 A 39 1 n GLU . 39 A 39 A 40 1 n GLY . 40 A 40 A 41 1 n PHE . 41 A 41 A 42 1 n TYR . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n PRO . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n ASP . 46 A 46 A 47 1 n GLN . 47 A 47 A 48 1 n PHE . 48 A 48 A 49 1 n ASN . 49 A 49 A 50 1 n ALA . 50 A 50 A 51 1 n PHE . 51 A 51 A 52 1 n LYS . 52 A 52 A 53 1 n SER . 53 A 53 A 54 1 n CYS . 54 A 54 A 55 1 n CYS . 55 A 55 A 56 1 n ASP . 56 A 56 A 57 1 n ILE . 57 A 57 A 58 1 n MET . 58 A 58 A 59 1 n MET . 59 A 59 A 60 1 n ASP . 60 A 60 A 61 1 n LEU . 61 A 61 A 62 1 n GLY . 62 A 62 A 63 1 n ILE . 63 A 63 A 64 1 n GLY . 64 A 64 A 65 1 n ASP . 65 A 65 A 66 1 n ARG . 66 A 66 A 67 1 n LYS . 67 A 67 A 68 1 n LYS . 68 A 68 A 69 1 n GLU . 69 A 69 A 70 1 n VAL . 70 A 70 A 71 1 n SER . 71 A 71 A 72 1 n LEU . 72 A 72 A 73 1 n VAL . 73 A 73 A 74 1 n GLN . 74 A 74 A 75 1 n GLY . 75 A 75 A 76 1 n GLY . 76 A 76 # _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 ? 16.745 -2.357 -11.389 1.00 82.64 1 A 1 ATOM 2 C CA . MET A 1 1 ? 15.471 -2.056 -10.704 1.00 87.84 1 A 1 ATOM 3 C C . MET A 1 1 ? 15.779 -1.535 -9.311 1.00 87.94 1 A 1 ATOM 4 O O . MET A 1 1 ? 16.765 -1.967 -8.725 1.00 83.48 1 A 1 ATOM 5 C CB . MET A 1 1 ? 14.566 -3.292 -10.636 1.00 82.55 1 A 1 ATOM 6 C CG . MET A 1 1 ? 14.120 -3.722 -12.035 1.00 74.51 1 A 1 ATOM 7 S SD . MET A 1 1 ? 13.127 -5.223 -12.051 1.00 71.48 1 A 1 ATOM 8 C CE . MET A 1 1 ? 11.547 -4.546 -11.484 1.00 63.11 1 A 1 ATOM 9 N N . LYS A 1 2 ? 14.994 -0.585 -8.803 1.00 87.32 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 15.140 -0.032 -7.447 1.00 87.56 2 A 1 ATOM 11 C C . LYS A 1 2 ? 14.242 -0.807 -6.478 1.00 88.43 2 A 1 ATOM 12 O O . LYS A 1 2 ? 13.194 -1.291 -6.877 1.00 87.04 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 14.787 1.463 -7.444 1.00 84.78 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 15.746 2.325 -8.279 1.00 78.64 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 15.288 3.793 -8.264 1.00 76.55 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 16.194 4.678 -9.125 1.00 68.66 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 15.682 6.074 -9.190 1.00 61.81 2 A 1 ATOM 18 N N . ILE A 1 3 ? 14.631 -0.900 -5.214 1.00 87.74 3 A 1 ATOM 19 C CA . ILE A 1 3 ? 13.774 -1.415 -4.133 1.00 87.12 3 A 1 ATOM 20 C C . ILE A 1 3 ? 13.232 -0.203 -3.366 1.00 87.77 3 A 1 ATOM 21 O O . ILE A 1 3 ? 13.946 0.793 -3.212 1.00 85.89 3 A 1 ATOM 22 C CB . ILE A 1 3 ? 14.548 -2.406 -3.232 1.00 84.46 3 A 1 ATOM 23 C CG1 . ILE A 1 3 ? 15.036 -3.615 -4.069 1.00 77.15 3 A 1 ATOM 24 C CG2 . ILE A 1 3 ? 13.671 -2.887 -2.059 1.00 75.82 3 A 1 ATOM 25 C CD1 . ILE A 1 3 ? 15.920 -4.609 -3.301 1.00 70.04 3 A 1 ATOM 26 N N . ILE A 1 4 ? 11.970 -0.268 -2.909 1.00 85.46 4 A 1 ATOM 27 C CA . ILE A 1 4 ? 11.377 0.807 -2.102 1.00 84.86 4 A 1 ATOM 28 C C . ILE A 1 4 ? 12.139 0.930 -0.783 1.00 83.86 4 A 1 ATOM 29 O O . ILE A 1 4 ? 12.351 -0.056 -0.076 1.00 80.79 4 A 1 ATOM 30 C CB . ILE A 1 4 ? 9.870 0.573 -1.863 1.00 84.67 4 A 1 ATOM 31 C CG1 . ILE A 1 4 ? 9.122 0.590 -3.212 1.00 80.78 4 A 1 ATOM 32 C CG2 . ILE A 1 4 ? 9.284 1.646 -0.918 1.00 79.13 4 A 1 ATOM 33 C CD1 . ILE A 1 4 ? 7.654 0.204 -3.078 1.00 75.41 4 A 1 ATOM 34 N N . ASN A 1 5 ? 12.526 2.161 -0.437 1.00 84.21 5 A 1 ATOM 35 C CA . ASN A 1 5 ? 13.106 2.458 0.862 1.00 82.50 5 A 1 ATOM 36 C C . ASN A 1 5 ? 11.982 2.825 1.845 1.00 82.47 5 A 1 ATOM 37 O O . ASN A 1 5 ? 11.500 3.955 1.854 1.00 79.73 5 A 1 ATOM 38 C CB . ASN A 1 5 ? 14.168 3.558 0.694 1.00 79.71 5 A 1 ATOM 39 C CG . ASN A 1 5 ? 14.933 3.814 1.981 1.00 76.74 5 A 1 ATOM 40 O OD1 . ASN A 1 5 ? 14.479 3.571 3.081 1.00 70.82 5 A 1 ATOM 41 N ND2 . ASN A 1 5 ? 16.140 4.315 1.883 1.00 70.96 5 A 1 ATOM 42 N N . PHE A 1 6 ? 11.581 1.868 2.691 1.00 81.92 6 A 1 ATOM 43 C CA . PHE A 1 6 ? 10.540 2.082 3.708 1.00 80.38 6 A 1 ATOM 44 C C . PHE A 1 6 ? 11.019 2.918 4.904 1.00 81.07 6 A 1 ATOM 45 O O . PHE A 1 6 ? 10.201 3.533 5.583 1.00 77.84 6 A 1 ATOM 46 C CB . PHE A 1 6 ? 10.009 0.725 4.177 1.00 79.64 6 A 1 ATOM 47 C CG . PHE A 1 6 ? 9.215 -0.002 3.107 1.00 79.29 6 A 1 ATOM 48 C CD1 . PHE A 1 6 ? 7.854 0.309 2.918 1.00 74.67 6 A 1 ATOM 49 C CD2 . PHE A 1 6 ? 9.830 -0.970 2.297 1.00 74.78 6 A 1 ATOM 50 C CE1 . PHE A 1 6 ? 7.111 -0.356 1.931 1.00 71.61 6 A 1 ATOM 51 C CE2 . PHE A 1 6 ? 9.085 -1.633 1.304 1.00 72.28 6 A 1 ATOM 52 C CZ . PHE A 1 6 ? 7.723 -1.328 1.127 1.00 73.45 6 A 1 ATOM 53 N N . VAL A 1 7 ? 12.342 2.982 5.152 1.00 80.38 7 A 1 ATOM 54 C CA . VAL A 1 7 ? 12.920 3.789 6.243 1.00 79.54 7 A 1 ATOM 55 C C . VAL A 1 7 ? 12.922 5.271 5.874 1.00 80.94 7 A 1 ATOM 56 O O . VAL A 1 7 ? 12.626 6.121 6.708 1.00 78.34 7 A 1 ATOM 57 C CB . VAL A 1 7 ? 14.351 3.314 6.578 1.00 77.65 7 A 1 ATOM 58 C CG1 . VAL A 1 7 ? 14.968 4.121 7.730 1.00 71.88 7 A 1 ATOM 59 C CG2 . VAL A 1 7 ? 14.367 1.833 6.981 1.00 72.72 7 A 1 ATOM 60 N N . ASN A 1 8 ? 13.236 5.592 4.618 1.00 84.05 8 A 1 ATOM 61 C CA . ASN A 1 8 ? 13.136 6.941 4.079 1.00 84.52 8 A 1 ATOM 62 C C . ASN A 1 8 ? 12.425 6.920 2.714 1.00 84.41 8 A 1 ATOM 63 O O . ASN A 1 8 ? 13.096 6.913 1.672 1.00 82.17 8 A 1 ATOM 64 C CB . ASN A 1 8 ? 14.535 7.579 4.025 1.00 82.87 8 A 1 ATOM 65 C CG . ASN A 1 8 ? 14.467 9.040 3.597 1.00 78.26 8 A 1 ATOM 66 O OD1 . ASN A 1 8 ? 13.424 9.595 3.284 1.00 72.24 8 A 1 ATOM 67 N ND2 . ASN A 1 8 ? 15.588 9.716 3.567 1.00 72.26 8 A 1 ATOM 68 N N . PRO A 1 9 ? 11.079 6.940 2.702 1.00 83.53 9 A 1 ATOM 69 C CA . PRO A 1 9 ? 10.294 6.862 1.471 1.00 82.26 9 A 1 ATOM 70 C C . PRO A 1 9 ? 10.595 7.981 0.471 1.00 85.26 9 A 1 ATOM 71 O O . PRO A 1 9 ? 10.417 7.779 -0.725 1.00 83.01 9 A 1 ATOM 72 C CB . PRO A 1 9 ? 8.827 6.895 1.915 1.00 79.45 9 A 1 ATOM 73 C CG . PRO A 1 9 ? 8.870 6.309 3.319 1.00 76.16 9 A 1 ATOM 74 C CD . PRO A 1 9 ? 10.194 6.851 3.853 1.00 78.27 9 A 1 ATOM 75 N N . ASN A 1 10 ? 11.117 9.133 0.917 1.00 86.67 10 A 1 ATOM 76 C CA . ASN A 1 10 ? 11.461 10.245 0.023 1.00 86.65 10 A 1 ATOM 77 C C . ASN A 1 10 ? 12.487 9.852 -1.052 1.00 87.42 10 A 1 ATOM 78 O O . ASN A 1 10 ? 12.456 10.400 -2.147 1.00 84.95 10 A 1 ATOM 79 C CB . ASN A 1 10 ? 11.981 11.433 0.847 1.00 85.77 10 A 1 ATOM 80 C CG . ASN A 1 10 ? 10.918 12.017 1.761 1.00 80.80 10 A 1 ATOM 81 O OD1 . ASN A 1 10 ? 9.780 12.229 1.381 1.00 73.39 10 A 1 ATOM 82 N ND2 . ASN A 1 10 ? 11.252 12.288 3.001 1.00 73.08 10 A 1 ATOM 83 N N . ASN A 1 11 ? 13.348 8.862 -0.773 1.00 87.19 11 A 1 ATOM 84 C CA . ASN A 1 11 ? 14.338 8.380 -1.743 1.00 86.28 11 A 1 ATOM 85 C C . ASN A 1 11 ? 13.713 7.577 -2.898 1.00 87.99 11 A 1 ATOM 86 O O . ASN A 1 11 ? 14.344 7.395 -3.942 1.00 85.02 11 A 1 ATOM 87 C CB . ASN A 1 11 ? 15.373 7.529 -0.991 1.00 84.00 11 A 1 ATOM 88 C CG . ASN A 1 11 ? 16.226 8.330 -0.019 1.00 78.32 11 A 1 ATOM 89 O OD1 . ASN A 1 11 ? 16.349 9.541 -0.083 1.00 70.53 11 A 1 ATOM 90 N ND2 . ASN A 1 11 ? 16.881 7.666 0.908 1.00 70.28 11 A 1 ATOM 91 N N . THR A 1 12 ? 12.499 7.046 -2.714 1.00 90.45 12 A 1 ATOM 92 C CA . THR A 1 12 ? 11.780 6.190 -3.671 1.00 91.20 12 A 1 ATOM 93 C C . THR A 1 12 ? 10.280 6.509 -3.673 1.00 91.79 12 A 1 ATOM 94 O O . THR A 1 12 ? 9.439 5.614 -3.745 1.00 90.72 12 A 1 ATOM 95 C CB . THR A 1 12 ? 12.034 4.694 -3.391 1.00 90.29 12 A 1 ATOM 96 O OG1 . THR A 1 12 ? 11.740 4.382 -2.052 1.00 86.32 12 A 1 ATOM 97 C CG2 . THR A 1 12 ? 13.485 4.276 -3.646 1.00 85.05 12 A 1 ATOM 98 N N . MET A 1 13 ? 9.936 7.800 -3.569 1.00 92.29 13 A 1 ATOM 99 C CA . MET A 1 13 ? 8.568 8.276 -3.319 1.00 92.14 13 A 1 ATOM 100 C C . MET A 1 13 ? 7.573 7.816 -4.388 1.00 92.73 13 A 1 ATOM 101 O O . MET A 1 13 ? 6.452 7.448 -4.047 1.00 92.39 13 A 1 ATOM 102 C CB . MET A 1 13 ? 8.596 9.810 -3.209 1.00 90.43 13 A 1 ATOM 103 C CG . MET A 1 13 ? 7.230 10.415 -2.862 1.00 82.12 13 A 1 ATOM 104 S SD . MET A 1 13 ? 6.435 9.832 -1.338 1.00 77.03 13 A 1 ATOM 105 C CE . MET A 1 13 ? 7.527 10.543 -0.077 1.00 67.50 13 A 1 ATOM 106 N N . ASP A 1 14 ? 7.972 7.780 -5.662 1.00 92.42 14 A 1 ATOM 107 C CA . ASP A 1 14 ? 7.072 7.366 -6.746 1.00 92.79 14 A 1 ATOM 108 C C . ASP A 1 14 ? 6.687 5.885 -6.622 1.00 94.16 14 A 1 ATOM 109 O O . ASP A 1 14 ? 5.508 5.543 -6.702 1.00 93.05 14 A 1 ATOM 110 C CB . ASP A 1 14 ? 7.726 7.679 -8.102 1.00 90.59 14 A 1 ATOM 111 C CG . ASP A 1 14 ? 8.016 9.177 -8.269 1.00 81.83 14 A 1 ATOM 112 O OD1 . ASP A 1 14 ? 7.253 9.998 -7.691 1.00 74.93 14 A 1 ATOM 113 O OD2 . ASP A 1 14 ? 9.051 9.491 -8.891 1.00 74.79 14 A 1 ATOM 114 N N . GLY A 1 15 ? 7.666 5.012 -6.309 1.00 94.12 15 A 1 ATOM 115 C CA . GLY A 1 15 ? 7.402 3.597 -6.035 1.00 94.27 15 A 1 ATOM 116 C C . GLY A 1 15 ? 6.567 3.393 -4.772 1.00 94.75 15 A 1 ATOM 117 O O . GLY A 1 15 ? 5.654 2.570 -4.761 1.00 93.93 15 A 1 ATOM 118 N N . TYR A 1 16 ? 6.825 4.182 -3.717 1.00 93.47 16 A 1 ATOM 119 C CA . TYR A 1 16 ? 6.038 4.120 -2.482 1.00 93.11 16 A 1 ATOM 120 C C . TYR A 1 16 ? 4.575 4.524 -2.716 1.00 93.70 16 A 1 ATOM 121 O O . TYR A 1 16 ? 3.667 3.802 -2.317 1.00 93.32 16 A 1 ATOM 122 C CB . TYR A 1 16 ? 6.701 4.992 -1.408 1.00 91.86 16 A 1 ATOM 123 C CG . TYR A 1 16 ? 5.992 4.915 -0.067 1.00 90.69 16 A 1 ATOM 124 C CD1 . TYR A 1 16 ? 5.048 5.896 0.299 1.00 86.83 16 A 1 ATOM 125 C CD2 . TYR A 1 16 ? 6.250 3.831 0.799 1.00 87.12 16 A 1 ATOM 126 C CE1 . TYR A 1 16 ? 4.368 5.795 1.528 1.00 84.93 16 A 1 ATOM 127 C CE2 . TYR A 1 16 ? 5.570 3.727 2.029 1.00 84.98 16 A 1 ATOM 128 C CZ . TYR A 1 16 ? 4.626 4.712 2.393 1.00 86.02 16 A 1 ATOM 129 O OH . TYR A 1 16 ? 3.963 4.613 3.580 1.00 83.96 16 A 1 ATOM 130 N N . LYS A 1 17 ? 4.327 5.634 -3.421 1.00 93.11 17 A 1 ATOM 131 C CA . LYS A 1 17 ? 2.967 6.082 -3.774 1.00 93.04 17 A 1 ATOM 132 C C . LYS A 1 17 ? 2.221 5.048 -4.616 1.00 93.50 17 A 1 ATOM 133 O O . LYS A 1 17 ? 1.044 4.802 -4.364 1.00 93.25 17 A 1 ATOM 134 C CB . LYS A 1 17 ? 3.037 7.401 -4.553 1.00 92.37 17 A 1 ATOM 135 C CG . LYS A 1 17 ? 3.347 8.612 -3.663 1.00 88.89 17 A 1 ATOM 136 C CD . LYS A 1 17 ? 3.576 9.824 -4.571 1.00 86.01 17 A 1 ATOM 137 C CE . LYS A 1 17 ? 3.894 11.084 -3.770 1.00 80.41 17 A 1 ATOM 138 N NZ . LYS A 1 17 ? 4.299 12.182 -4.679 1.00 73.46 17 A 1 ATOM 139 N N . LEU A 1 18 ? 2.902 4.433 -5.590 1.00 94.46 18 A 1 ATOM 140 C CA . LEU A 1 18 ? 2.313 3.384 -6.420 1.00 95.18 18 A 1 ATOM 141 C C . LEU A 1 18 ? 1.931 2.159 -5.580 1.00 95.42 18 A 1 ATOM 142 O O . LEU A 1 18 ? 0.813 1.667 -5.707 1.00 95.03 18 A 1 ATOM 143 C CB . LEU A 1 18 ? 3.299 3.031 -7.545 1.00 95.41 18 A 1 ATOM 144 C CG . LEU A 1 18 ? 2.791 1.915 -8.481 1.00 93.91 18 A 1 ATOM 145 C CD1 . LEU A 1 18 ? 1.495 2.292 -9.202 1.00 91.09 18 A 1 ATOM 146 C CD2 . LEU A 1 18 ? 3.863 1.629 -9.530 1.00 91.30 18 A 1 ATOM 147 N N . LEU A 1 19 ? 2.817 1.701 -4.684 1.00 95.42 19 A 1 ATOM 148 C CA . LEU A 1 19 ? 2.524 0.590 -3.774 1.00 95.27 19 A 1 ATOM 149 C C . LEU A 1 19 ? 1.310 0.891 -2.889 1.00 94.92 19 A 1 ATOM 150 O O . LEU A 1 19 ? 0.400 0.072 -2.805 1.00 94.09 19 A 1 ATOM 151 C CB . LEU A 1 19 ? 3.773 0.285 -2.927 1.00 95.18 19 A 1 ATOM 152 C CG . LEU A 1 19 ? 3.545 -0.816 -1.871 1.00 94.23 19 A 1 ATOM 153 C CD1 . LEU A 1 19 ? 3.160 -2.156 -2.505 1.00 91.83 19 A 1 ATOM 154 C CD2 . LEU A 1 19 ? 4.813 -1.022 -1.050 1.00 91.92 19 A 1 ATOM 155 N N . VAL A 1 20 ? 1.272 2.077 -2.265 1.00 94.21 20 A 1 ATOM 156 C CA . VAL A 1 20 ? 0.134 2.535 -1.451 1.00 93.13 20 A 1 ATOM 157 C C . VAL A 1 20 ? -1.152 2.497 -2.272 1.00 93.21 20 A 1 ATOM 158 O O . VAL A 1 20 ? -2.147 1.928 -1.835 1.00 92.19 20 A 1 ATOM 159 C CB . VAL A 1 20 ? 0.406 3.953 -0.896 1.00 91.54 20 A 1 ATOM 160 C CG1 . VAL A 1 20 ? -0.833 4.612 -0.278 1.00 88.95 20 A 1 ATOM 161 C CG2 . VAL A 1 20 ? 1.484 3.928 0.194 1.00 88.98 20 A 1 ATOM 162 N N . HIS A 1 21 ? -1.131 3.050 -3.493 1.00 92.62 21 A 1 ATOM 163 C CA . HIS A 1 21 ? -2.296 3.052 -4.372 1.00 92.74 21 A 1 ATOM 164 C C . HIS A 1 21 ? -2.787 1.636 -4.698 1.00 92.81 21 A 1 ATOM 165 O O . HIS A 1 21 ? -3.977 1.364 -4.568 1.00 91.95 21 A 1 ATOM 166 C CB . HIS A 1 21 ? -1.963 3.834 -5.648 1.00 92.04 21 A 1 ATOM 167 C CG . HIS A 1 21 ? -3.127 3.873 -6.610 1.00 85.04 21 A 1 ATOM 168 N ND1 . HIS A 1 21 ? -4.322 4.522 -6.406 1.00 71.66 21 A 1 ATOM 169 C CD2 . HIS A 1 21 ? -3.221 3.226 -7.812 1.00 71.20 21 A 1 ATOM 170 C CE1 . HIS A 1 21 ? -5.118 4.265 -7.459 1.00 68.88 21 A 1 ATOM 171 N NE2 . HIS A 1 21 ? -4.486 3.482 -8.343 1.00 70.82 21 A 1 ATOM 172 N N . CYS A 1 22 ? -1.874 0.725 -5.072 1.00 93.66 22 A 1 ATOM 173 C CA . CYS A 1 22 ? -2.229 -0.660 -5.390 1.00 93.75 22 A 1 ATOM 174 C C . CYS A 1 22 ? -2.864 -1.380 -4.190 1.00 93.28 22 A 1 ATOM 175 O O . CYS A 1 22 ? -3.919 -1.993 -4.334 1.00 92.40 22 A 1 ATOM 176 C CB . CYS A 1 22 ? -0.976 -1.399 -5.875 1.00 94.66 22 A 1 ATOM 177 S SG . CYS A 1 22 ? -0.454 -0.794 -7.510 1.00 94.27 22 A 1 ATOM 178 N N . VAL A 1 23 ? -2.262 -1.262 -2.995 1.00 93.25 23 A 1 ATOM 179 C CA . VAL A 1 23 ? -2.761 -1.928 -1.778 1.00 92.53 23 A 1 ATOM 180 C C . VAL A 1 23 ? -4.144 -1.409 -1.393 1.00 91.60 23 A 1 ATOM 181 O O . VAL A 1 23 ? -5.060 -2.205 -1.206 1.00 90.14 23 A 1 ATOM 182 C CB . VAL A 1 23 ? -1.750 -1.788 -0.623 1.00 92.55 23 A 1 ATOM 183 C CG1 . VAL A 1 23 ? -2.319 -2.293 0.712 1.00 90.85 23 A 1 ATOM 184 C CG2 . VAL A 1 23 ? -0.494 -2.624 -0.919 1.00 90.37 23 A 1 ATOM 185 N N . PHE A 1 24 ? -4.345 -0.081 -1.344 1.00 89.85 24 A 1 ATOM 186 C CA . PHE A 1 24 ? -5.654 0.494 -1.002 1.00 87.91 24 A 1 ATOM 187 C C . PHE A 1 24 ? -6.711 0.336 -2.103 1.00 88.13 24 A 1 ATOM 188 O O . PHE A 1 24 ? -7.902 0.434 -1.817 1.00 85.22 24 A 1 ATOM 189 C CB . PHE A 1 24 ? -5.487 1.959 -0.589 1.00 86.07 24 A 1 ATOM 190 C CG . PHE A 1 24 ? -4.913 2.130 0.807 1.00 83.67 24 A 1 ATOM 191 C CD1 . PHE A 1 24 ? -5.695 1.791 1.928 1.00 79.62 24 A 1 ATOM 192 C CD2 . PHE A 1 24 ? -3.610 2.616 0.996 1.00 79.44 24 A 1 ATOM 193 C CE1 . PHE A 1 24 ? -5.171 1.933 3.224 1.00 77.59 24 A 1 ATOM 194 C CE2 . PHE A 1 24 ? -3.083 2.754 2.292 1.00 77.86 24 A 1 ATOM 195 C CZ . PHE A 1 24 ? -3.866 2.413 3.407 1.00 78.93 24 A 1 ATOM 196 N N . SER A 1 25 ? -6.307 0.038 -3.347 1.00 86.92 25 A 1 ATOM 197 C CA . SER A 1 25 ? -7.223 -0.353 -4.429 1.00 87.80 25 A 1 ATOM 198 C C . SER A 1 25 ? -7.578 -1.846 -4.408 1.00 88.48 25 A 1 ATOM 199 O O . SER A 1 25 ? -8.337 -2.303 -5.260 1.00 86.53 25 A 1 ATOM 200 C CB . SER A 1 25 ? -6.654 0.039 -5.801 1.00 88.26 25 A 1 ATOM 201 O OG . SER A 1 25 ? -6.388 1.426 -5.854 1.00 83.13 25 A 1 ATOM 202 N N . GLY A 1 26 ? -7.035 -2.612 -3.456 1.00 89.61 26 A 1 ATOM 203 C CA . GLY A 1 26 ? -7.300 -4.047 -3.309 1.00 88.96 26 A 1 ATOM 204 C C . GLY A 1 26 ? -6.580 -4.936 -4.325 1.00 90.52 26 A 1 ATOM 205 O O . GLY A 1 26 ? -7.019 -6.058 -4.559 1.00 88.23 26 A 1 ATOM 206 N N . PHE A 1 27 ? -5.497 -4.444 -4.953 1.00 92.38 27 A 1 ATOM 207 C CA . PHE A 1 27 ? -4.727 -5.258 -5.888 1.00 93.67 27 A 1 ATOM 208 C C . PHE A 1 27 ? -3.988 -6.378 -5.150 1.00 94.38 27 A 1 ATOM 209 O O . PHE A 1 27 ? -3.452 -6.190 -4.056 1.00 93.37 27 A 1 ATOM 210 C CB . PHE A 1 27 ? -3.763 -4.393 -6.710 1.00 93.56 27 A 1 ATOM 211 C CG . PHE A 1 27 ? -4.382 -3.484 -7.767 1.00 92.70 27 A 1 ATOM 212 C CD1 . PHE A 1 27 ? -5.777 -3.325 -7.906 1.00 85.89 27 A 1 ATOM 213 C CD2 . PHE A 1 27 ? -3.528 -2.787 -8.639 1.00 86.32 27 A 1 ATOM 214 C CE1 . PHE A 1 27 ? -6.309 -2.477 -8.892 1.00 84.53 27 A 1 ATOM 215 C CE2 . PHE A 1 27 ? -4.059 -1.941 -9.629 1.00 85.71 27 A 1 ATOM 216 C CZ . PHE A 1 27 ? -5.450 -1.784 -9.753 1.00 87.65 27 A 1 ATOM 217 N N . ASP A 1 28 ? -3.950 -7.559 -5.780 1.00 95.00 28 A 1 ATOM 218 C CA . ASP A 1 28 ? -3.123 -8.668 -5.322 1.00 95.39 28 A 1 ATOM 219 C C . ASP A 1 28 ? -1.633 -8.412 -5.607 1.00 96.28 28 A 1 ATOM 220 O O . ASP A 1 28 ? -1.232 -7.396 -6.196 1.00 96.10 28 A 1 ATOM 221 C CB . ASP A 1 28 ? -3.642 -9.999 -5.911 1.00 94.44 28 A 1 ATOM 222 C CG . ASP A 1 28 ? -3.596 -10.065 -7.445 1.00 91.65 28 A 1 ATOM 223 O OD1 . ASP A 1 28 ? -2.709 -9.424 -8.044 1.00 86.77 28 A 1 ATOM 224 O OD2 . ASP A 1 28 ? -4.479 -10.717 -8.034 1.00 85.74 28 A 1 ATOM 225 N N . TYR A 1 29 ? -0.786 -9.333 -5.143 1.00 96.83 29 A 1 ATOM 226 C CA . TYR A 1 29 ? 0.657 -9.243 -5.330 1.00 97.35 29 A 1 ATOM 227 C C . TYR A 1 29 ? 1.055 -9.218 -6.807 1.00 97.54 29 A 1 ATOM 228 O O . TYR A 1 29 ? 1.865 -8.377 -7.197 1.00 97.31 29 A 1 ATOM 229 C CB . TYR A 1 29 ? 1.346 -10.406 -4.612 1.00 97.18 29 A 1 ATOM 230 C CG . TYR A 1 29 ? 2.835 -10.480 -4.904 1.00 97.14 29 A 1 ATOM 231 C CD1 . TYR A 1 29 ? 3.372 -11.595 -5.580 1.00 94.76 29 A 1 ATOM 232 C CD2 . TYR A 1 29 ? 3.674 -9.408 -4.545 1.00 95.69 29 A 1 ATOM 233 C CE1 . TYR A 1 29 ? 4.747 -11.650 -5.868 1.00 94.55 29 A 1 ATOM 234 C CE2 . TYR A 1 29 ? 5.050 -9.454 -4.839 1.00 94.79 29 A 1 ATOM 235 C CZ . TYR A 1 29 ? 5.587 -10.580 -5.493 1.00 96.00 29 A 1 ATOM 236 O OH . TYR A 1 29 ? 6.923 -10.633 -5.762 1.00 94.57 29 A 1 ATOM 237 N N . ASP A 1 30 ? 0.475 -10.089 -7.639 1.00 97.66 30 A 1 ATOM 238 C CA . ASP A 1 30 ? 0.876 -10.237 -9.041 1.00 97.73 30 A 1 ATOM 239 C C . ASP A 1 30 ? 0.559 -8.976 -9.854 1.00 97.85 30 A 1 ATOM 240 O O . ASP A 1 30 ? 1.420 -8.457 -10.571 1.00 97.31 30 A 1 ATOM 241 C CB . ASP A 1 30 ? 0.197 -11.476 -9.649 1.00 97.55 30 A 1 ATOM 242 C CG . ASP A 1 30 ? 0.801 -12.791 -9.146 1.00 95.28 30 A 1 ATOM 243 O OD1 . ASP A 1 30 ? 2.043 -12.826 -8.954 1.00 90.74 30 A 1 ATOM 244 O OD2 . ASP A 1 30 ? 0.031 -13.767 -9.011 1.00 90.85 30 A 1 ATOM 245 N N . ASN A 1 31 ? -0.633 -8.408 -9.666 1.00 97.54 31 A 1 ATOM 246 C CA . ASN A 1 31 ? -1.019 -7.140 -10.278 1.00 97.28 31 A 1 ATOM 247 C C . ASN A 1 31 ? -0.147 -5.986 -9.769 1.00 97.53 31 A 1 ATOM 248 O O . ASN A 1 31 ? 0.372 -5.193 -10.559 1.00 97.12 31 A 1 ATOM 249 C CB . ASN A 1 31 ? -2.511 -6.887 -10.007 1.00 96.55 31 A 1 ATOM 250 C CG . ASN A 1 31 ? -3.399 -7.748 -10.881 1.00 92.12 31 A 1 ATOM 251 O OD1 . ASN A 1 31 ? -3.251 -7.781 -12.091 1.00 82.48 31 A 1 ATOM 252 N ND2 . ASN A 1 31 ? -4.359 -8.439 -10.326 1.00 81.77 31 A 1 ATOM 253 N N . THR A 1 32 ? 0.080 -5.900 -8.453 1.00 97.08 32 A 1 ATOM 254 C CA . THR A 1 32 ? 0.945 -4.864 -7.868 1.00 97.18 32 A 1 ATOM 255 C C . THR A 1 32 ? 2.364 -4.958 -8.420 1.00 97.34 32 A 1 ATOM 256 O O . THR A 1 32 ? 2.913 -3.967 -8.900 1.00 97.07 32 A 1 ATOM 257 C CB . THR A 1 32 ? 0.967 -4.953 -6.339 1.00 96.93 32 A 1 ATOM 258 O OG1 . THR A 1 32 ? -0.342 -4.827 -5.842 1.00 95.12 32 A 1 ATOM 259 C CG2 . THR A 1 32 ? 1.792 -3.832 -5.713 1.00 95.04 32 A 1 ATOM 260 N N . LYS A 1 33 ? 2.953 -6.155 -8.432 1.00 97.12 33 A 1 ATOM 261 C CA . LYS A 1 33 ? 4.285 -6.430 -8.983 1.00 97.06 33 A 1 ATOM 262 C C . LYS A 1 33 ? 4.380 -6.049 -10.458 1.00 97.16 33 A 1 ATOM 263 O O . LYS A 1 33 ? 5.388 -5.471 -10.864 1.00 97.14 33 A 1 ATOM 264 C CB . LYS A 1 33 ? 4.583 -7.915 -8.767 1.00 96.76 33 A 1 ATOM 265 C CG . LYS A 1 33 ? 5.961 -8.353 -9.291 1.00 95.35 33 A 1 ATOM 266 C CD . LYS A 1 33 ? 6.097 -9.852 -9.032 1.00 92.74 33 A 1 ATOM 267 C CE . LYS A 1 33 ? 7.439 -10.415 -9.495 1.00 86.58 33 A 1 ATOM 268 N NZ . LYS A 1 33 ? 7.485 -11.862 -9.178 1.00 79.23 33 A 1 ATOM 269 N N . PHE A 1 34 ? 3.348 -6.325 -11.258 1.00 97.51 34 A 1 ATOM 270 C CA . PHE A 1 34 ? 3.313 -5.934 -12.667 1.00 97.40 34 A 1 ATOM 271 C C . PHE A 1 34 ? 3.470 -4.416 -12.839 1.00 97.47 34 A 1 ATOM 272 O O . PHE A 1 34 ? 4.343 -3.969 -13.586 1.00 97.38 34 A 1 ATOM 273 C CB . PHE A 1 34 ? 2.019 -6.454 -13.307 1.00 97.48 34 A 1 ATOM 274 C CG . PHE A 1 34 ? 1.798 -5.949 -14.719 1.00 96.71 34 A 1 ATOM 275 C CD1 . PHE A 1 34 ? 0.957 -4.839 -14.944 1.00 94.46 34 A 1 ATOM 276 C CD2 . PHE A 1 34 ? 2.444 -6.567 -15.804 1.00 95.07 34 A 1 ATOM 277 C CE1 . PHE A 1 34 ? 0.758 -4.360 -16.250 1.00 93.82 34 A 1 ATOM 278 C CE2 . PHE A 1 34 ? 2.245 -6.089 -17.110 1.00 94.20 34 A 1 ATOM 279 C CZ . PHE A 1 34 ? 1.398 -4.987 -17.333 1.00 94.23 34 A 1 ATOM 280 N N . TYR A 1 35 ? 2.680 -3.608 -12.116 1.00 96.85 35 A 1 ATOM 281 C CA . TYR A 1 35 ? 2.778 -2.146 -12.191 1.00 96.62 35 A 1 ATOM 282 C C . TYR A 1 35 ? 4.102 -1.620 -11.630 1.00 96.58 35 A 1 ATOM 283 O O . TYR A 1 35 ? 4.742 -0.778 -12.260 1.00 95.99 35 A 1 ATOM 284 C CB . TYR A 1 35 ? 1.582 -1.507 -11.474 1.00 96.52 35 A 1 ATOM 285 C CG . TYR A 1 35 ? 0.263 -1.713 -12.195 1.00 95.74 35 A 1 ATOM 286 C CD1 . TYR A 1 35 ? 0.026 -1.072 -13.427 1.00 91.83 35 A 1 ATOM 287 C CD2 . TYR A 1 35 ? -0.719 -2.553 -11.641 1.00 92.40 35 A 1 ATOM 288 C CE1 . TYR A 1 35 ? -1.188 -1.277 -14.111 1.00 90.68 35 A 1 ATOM 289 C CE2 . TYR A 1 35 ? -1.935 -2.766 -12.323 1.00 90.96 35 A 1 ATOM 290 C CZ . TYR A 1 35 ? -2.168 -2.128 -13.559 1.00 91.58 35 A 1 ATOM 291 O OH . TYR A 1 35 ? -3.342 -2.334 -14.216 1.00 89.75 35 A 1 ATOM 292 N N . MET A 1 36 ? 4.569 -2.163 -10.506 1.00 96.68 36 A 1 ATOM 293 C CA . MET A 1 36 ? 5.855 -1.804 -9.905 1.00 96.29 36 A 1 ATOM 294 C C . MET A 1 36 ? 7.027 -2.044 -10.870 1.00 96.40 36 A 1 ATOM 295 O O . MET A 1 36 ? 7.877 -1.171 -11.052 1.00 96.08 36 A 1 ATOM 296 C CB . MET A 1 36 ? 6.043 -2.629 -8.622 1.00 95.72 36 A 1 ATOM 297 C CG . MET A 1 36 ? 5.097 -2.195 -7.490 1.00 92.56 36 A 1 ATOM 298 S SD . MET A 1 36 ? 5.338 -0.514 -6.856 1.00 89.48 36 A 1 ATOM 299 C CE . MET A 1 36 ? 7.013 -0.677 -6.218 1.00 81.15 36 A 1 ATOM 300 N N . ASN A 1 37 ? 7.039 -3.206 -11.542 1.00 96.91 37 A 1 ATOM 301 C CA . ASN A 1 37 ? 8.076 -3.556 -12.511 1.00 96.64 37 A 1 ATOM 302 C C . ASN A 1 37 ? 8.102 -2.590 -13.704 1.00 96.45 37 A 1 ATOM 303 O O . ASN A 1 37 ? 9.187 -2.228 -14.167 1.00 95.78 37 A 1 ATOM 304 C CB . ASN A 1 37 ? 7.847 -5.002 -12.990 1.00 96.29 37 A 1 ATOM 305 C CG . ASN A 1 37 ? 8.202 -6.068 -11.963 1.00 90.89 37 A 1 ATOM 306 O OD1 . ASN A 1 37 ? 8.846 -5.842 -10.954 1.00 82.56 37 A 1 ATOM 307 N ND2 . ASN A 1 37 ? 7.853 -7.307 -12.228 1.00 81.58 37 A 1 ATOM 308 N N . ARG A 1 38 ? 6.925 -2.145 -14.191 1.00 96.27 38 A 1 ATOM 309 C CA . ARG A 1 38 ? 6.827 -1.162 -15.284 1.00 95.83 38 A 1 ATOM 310 C C . ARG A 1 38 ? 7.444 0.186 -14.917 1.00 95.69 38 A 1 ATOM 311 O O . ARG A 1 38 ? 8.062 0.809 -15.774 1.00 94.82 38 A 1 ATOM 312 C CB . ARG A 1 38 ? 5.366 -0.972 -15.700 1.00 95.39 38 A 1 ATOM 313 C CG . ARG A 1 38 ? 4.834 -2.173 -16.494 1.00 85.96 38 A 1 ATOM 314 C CD . ARG A 1 38 ? 3.403 -1.920 -16.971 1.00 84.99 38 A 1 ATOM 315 N NE . ARG A 1 38 ? 3.339 -0.801 -17.927 1.00 75.22 38 A 1 ATOM 316 C CZ . ARG A 1 38 ? 2.243 -0.246 -18.415 1.00 68.84 38 A 1 ATOM 317 N NH1 . ARG A 1 38 ? 1.056 -0.677 -18.093 1.00 64.18 38 A 1 ATOM 318 N NH2 . ARG A 1 38 ? 2.327 0.763 -19.238 1.00 58.65 38 A 1 ATOM 319 N N . GLU A 1 39 ? 7.332 0.594 -13.657 1.00 95.15 39 A 1 ATOM 320 C CA . GLU A 1 39 ? 7.925 1.833 -13.132 1.00 94.44 39 A 1 ATOM 321 C C . GLU A 1 39 ? 9.380 1.652 -12.653 1.00 94.37 39 A 1 ATOM 322 O O . GLU A 1 39 ? 9.995 2.545 -12.067 1.00 92.80 39 A 1 ATOM 323 C CB . GLU A 1 39 ? 7.010 2.399 -12.036 1.00 93.82 39 A 1 ATOM 324 C CG . GLU A 1 39 ? 5.597 2.760 -12.538 1.00 90.13 39 A 1 ATOM 325 C CD . GLU A 1 39 ? 5.598 3.734 -13.725 1.00 88.46 39 A 1 ATOM 326 O OE1 . GLU A 1 39 ? 4.799 3.500 -14.664 1.00 80.42 39 A 1 ATOM 327 O OE2 . GLU A 1 39 ? 6.424 4.670 -13.712 1.00 81.04 39 A 1 ATOM 328 N N . GLY A 1 40 ? 9.984 0.474 -12.903 1.00 95.27 40 A 1 ATOM 329 C CA . GLY A 1 40 ? 11.388 0.203 -12.586 1.00 94.64 40 A 1 ATOM 330 C C . GLY A 1 40 ? 11.657 -0.168 -11.124 1.00 94.71 40 A 1 ATOM 331 O O . GLY A 1 40 ? 12.825 -0.182 -10.711 1.00 93.08 40 A 1 ATOM 332 N N . PHE A 1 41 ? 10.620 -0.495 -10.343 1.00 94.89 41 A 1 ATOM 333 C CA . PHE A 1 41 ? 10.739 -0.947 -8.959 1.00 94.68 41 A 1 ATOM 334 C C . PHE A 1 41 ? 10.584 -2.466 -8.848 1.00 94.73 41 A 1 ATOM 335 O O . PHE A 1 41 ? 9.687 -3.066 -9.432 1.00 93.64 41 A 1 ATOM 336 C CB . PHE A 1 41 ? 9.734 -0.218 -8.061 1.00 94.24 41 A 1 ATOM 337 C CG . PHE A 1 41 ? 10.010 1.266 -7.932 1.00 93.97 41 A 1 ATOM 338 C CD1 . PHE A 1 41 ? 10.935 1.736 -6.981 1.00 91.56 41 A 1 ATOM 339 C CD2 . PHE A 1 41 ? 9.368 2.176 -8.792 1.00 92.37 41 A 1 ATOM 340 C CE1 . PHE A 1 41 ? 11.222 3.109 -6.893 1.00 91.28 41 A 1 ATOM 341 C CE2 . PHE A 1 41 ? 9.658 3.550 -8.705 1.00 91.61 41 A 1 ATOM 342 C CZ . PHE A 1 41 ? 10.587 4.016 -7.758 1.00 91.77 41 A 1 ATOM 343 N N . TYR A 1 42 ? 11.454 -3.089 -8.061 1.00 93.36 42 A 1 ATOM 344 C CA . TYR A 1 42 ? 11.316 -4.475 -7.632 1.00 92.53 42 A 1 ATOM 345 C C . TYR A 1 42 ? 10.634 -4.516 -6.266 1.00 92.51 42 A 1 ATOM 346 O O . TYR A 1 42 ? 11.073 -3.840 -5.328 1.00 91.97 42 A 1 ATOM 347 C CB . TYR A 1 42 ? 12.689 -5.151 -7.606 1.00 91.88 42 A 1 ATOM 348 C CG . TYR A 1 42 ? 12.653 -6.572 -7.074 1.00 90.25 42 A 1 ATOM 349 C CD1 . TYR A 1 42 ? 13.275 -6.882 -5.847 1.00 84.78 42 A 1 ATOM 350 C CD2 . TYR A 1 42 ? 11.970 -7.580 -7.785 1.00 84.11 42 A 1 ATOM 351 C CE1 . TYR A 1 42 ? 13.221 -8.191 -5.338 1.00 81.74 42 A 1 ATOM 352 C CE2 . TYR A 1 42 ? 11.906 -8.888 -7.275 1.00 81.50 42 A 1 ATOM 353 C CZ . TYR A 1 42 ? 12.533 -9.198 -6.050 1.00 83.02 42 A 1 ATOM 354 O OH . TYR A 1 42 ? 12.466 -10.462 -5.546 1.00 82.03 42 A 1 ATOM 355 N N . LEU A 1 43 ? 9.558 -5.306 -6.161 1.00 93.74 43 A 1 ATOM 356 C CA . LEU A 1 43 ? 8.800 -5.521 -4.935 1.00 94.17 43 A 1 ATOM 357 C C . LEU A 1 43 ? 8.870 -7.007 -4.557 1.00 94.81 43 A 1 ATOM 358 O O . LEU A 1 43 ? 8.264 -7.827 -5.252 1.00 94.42 43 A 1 ATOM 359 C CB . LEU A 1 43 ? 7.358 -5.042 -5.161 1.00 93.65 43 A 1 ATOM 360 C CG . LEU A 1 43 ? 6.452 -5.185 -3.928 1.00 93.41 43 A 1 ATOM 361 C CD1 . LEU A 1 43 ? 6.926 -4.315 -2.757 1.00 91.26 43 A 1 ATOM 362 C CD2 . LEU A 1 43 ? 5.031 -4.767 -4.311 1.00 91.27 43 A 1 ATOM 363 N N . PRO A 1 44 ? 9.608 -7.376 -3.496 1.00 94.28 44 A 1 ATOM 364 C CA . PRO A 1 44 ? 9.553 -8.715 -2.924 1.00 94.11 44 A 1 ATOM 365 C C . PRO A 1 44 ? 8.164 -9.025 -2.343 1.00 95.21 44 A 1 ATOM 366 O O . PRO A 1 44 ? 7.504 -8.146 -1.791 1.00 95.14 44 A 1 ATOM 367 C CB . PRO A 1 44 ? 10.646 -8.754 -1.851 1.00 92.26 44 A 1 ATOM 368 C CG . PRO A 1 44 ? 11.581 -7.606 -2.218 1.00 89.61 44 A 1 ATOM 369 C CD . PRO A 1 44 ? 10.626 -6.585 -2.820 1.00 92.31 44 A 1 ATOM 370 N N . GLU A 1 45 ? 7.723 -10.275 -2.457 1.00 94.91 45 A 1 ATOM 371 C CA . GLU A 1 45 ? 6.387 -10.710 -2.008 1.00 95.66 45 A 1 ATOM 372 C C . GLU A 1 45 ? 6.208 -10.593 -0.489 1.00 95.58 45 A 1 ATOM 373 O O . GLU A 1 45 ? 5.160 -10.162 -0.006 1.00 95.21 45 A 1 ATOM 374 C CB . GLU A 1 45 ? 6.179 -12.156 -2.473 1.00 95.99 45 A 1 ATOM 375 C CG . GLU A 1 45 ? 4.753 -12.660 -2.210 1.00 93.85 45 A 1 ATOM 376 C CD . GLU A 1 45 ? 4.491 -14.059 -2.791 1.00 92.35 45 A 1 ATOM 377 O OE1 . GLU A 1 45 ? 3.339 -14.521 -2.641 1.00 86.73 45 A 1 ATOM 378 O OE2 . GLU A 1 45 ? 5.429 -14.654 -3.379 1.00 88.58 45 A 1 ATOM 379 N N . ASP A 1 46 ? 7.255 -10.917 0.273 1.00 95.17 46 A 1 ATOM 380 C CA . ASP A 1 46 ? 7.279 -10.768 1.728 1.00 94.71 46 A 1 ATOM 381 C C . ASP A 1 46 ? 7.108 -9.302 2.162 1.00 95.04 46 A 1 ATOM 382 O O . ASP A 1 46 ? 6.341 -9.015 3.085 1.00 94.47 46 A 1 ATOM 383 C CB . ASP A 1 46 ? 8.586 -11.375 2.281 1.00 93.68 46 A 1 ATOM 384 C CG . ASP A 1 46 ? 9.868 -10.675 1.789 1.00 85.73 46 A 1 ATOM 385 O OD1 . ASP A 1 46 ? 9.864 -10.159 0.647 1.00 79.89 46 A 1 ATOM 386 O OD2 . ASP A 1 46 ? 10.851 -10.639 2.555 1.00 80.68 46 A 1 ATOM 387 N N . GLN A 1 47 ? 7.732 -8.352 1.458 1.00 94.03 47 A 1 ATOM 388 C CA . GLN A 1 47 ? 7.553 -6.921 1.705 1.00 93.19 47 A 1 ATOM 389 C C . GLN A 1 47 ? 6.135 -6.457 1.373 1.00 93.90 47 A 1 ATOM 390 O O . GLN A 1 47 ? 5.566 -5.671 2.129 1.00 93.56 47 A 1 ATOM 391 C CB . GLN A 1 47 ? 8.561 -6.089 0.895 1.00 91.22 47 A 1 ATOM 392 C CG . GLN A 1 47 ? 9.989 -6.233 1.420 1.00 79.25 47 A 1 ATOM 393 C CD . GLN A 1 47 ? 10.975 -5.298 0.729 1.00 75.16 47 A 1 ATOM 394 O OE1 . GLN A 1 47 ? 10.647 -4.391 -0.028 1.00 69.03 47 A 1 ATOM 395 N NE2 . GLN A 1 47 ? 12.254 -5.472 0.978 1.00 65.44 47 A 1 ATOM 396 N N . PHE A 1 48 ? 5.548 -6.933 0.265 1.00 94.66 48 A 1 ATOM 397 C CA . PHE A 1 48 ? 4.156 -6.641 -0.078 1.00 95.43 48 A 1 ATOM 398 C C . PHE A 1 48 ? 3.204 -7.130 1.015 1.00 95.54 48 A 1 ATOM 399 O O . PHE A 1 48 ? 2.393 -6.351 1.510 1.00 95.63 48 A 1 ATOM 400 C CB . PHE A 1 48 ? 3.807 -7.270 -1.431 1.00 95.92 48 A 1 ATOM 401 C CG . PHE A 1 48 ? 2.332 -7.173 -1.771 1.00 96.38 48 A 1 ATOM 402 C CD1 . PHE A 1 48 ? 1.467 -8.253 -1.501 1.00 95.29 48 A 1 ATOM 403 C CD2 . PHE A 1 48 ? 1.815 -5.989 -2.324 1.00 95.79 48 A 1 ATOM 404 C CE1 . PHE A 1 48 ? 0.096 -8.151 -1.797 1.00 95.38 48 A 1 ATOM 405 C CE2 . PHE A 1 48 ? 0.446 -5.889 -2.623 1.00 95.43 48 A 1 ATOM 406 C CZ . PHE A 1 48 ? -0.416 -6.970 -2.363 1.00 95.97 48 A 1 ATOM 407 N N . ASN A 1 49 ? 3.338 -8.393 1.439 1.00 96.05 49 A 1 ATOM 408 C CA . ASN A 1 49 ? 2.477 -9.001 2.453 1.00 96.16 49 A 1 ATOM 409 C C . ASN A 1 49 ? 2.602 -8.299 3.814 1.00 96.00 49 A 1 ATOM 410 O O . ASN A 1 49 ? 1.592 -8.024 4.467 1.00 95.38 49 A 1 ATOM 411 C CB . ASN A 1 49 ? 2.829 -10.496 2.558 1.00 96.45 49 A 1 ATOM 412 C CG . ASN A 1 49 ? 2.347 -11.291 1.353 1.00 95.37 49 A 1 ATOM 413 O OD1 . ASN A 1 49 ? 1.360 -10.956 0.718 1.00 89.91 49 A 1 ATOM 414 N ND2 . ASN A 1 49 ? 3.004 -12.376 1.020 1.00 90.06 49 A 1 ATOM 415 N N . ALA A 1 50 ? 3.828 -7.944 4.230 1.00 95.36 50 A 1 ATOM 416 C CA . ALA A 1 50 ? 4.061 -7.180 5.455 1.00 94.48 50 A 1 ATOM 417 C C . ALA A 1 50 ? 3.418 -5.786 5.380 1.00 94.44 50 A 1 ATOM 418 O O . ALA A 1 50 ? 2.696 -5.383 6.293 1.00 93.68 50 A 1 ATOM 419 C CB . ALA A 1 50 ? 5.577 -7.093 5.696 1.00 93.59 50 A 1 ATOM 420 N N . PHE A 1 51 ? 3.620 -5.058 4.274 1.00 93.37 51 A 1 ATOM 421 C CA . PHE A 1 51 ? 3.043 -3.729 4.080 1.00 93.17 51 A 1 ATOM 422 C C . PHE A 1 51 ? 1.516 -3.766 4.040 1.00 93.62 51 A 1 ATOM 423 O O . PHE A 1 51 ? 0.866 -2.976 4.726 1.00 92.93 51 A 1 ATOM 424 C CB . PHE A 1 51 ? 3.619 -3.109 2.802 1.00 92.48 51 A 1 ATOM 425 C CG . PHE A 1 51 ? 3.144 -1.687 2.582 1.00 91.92 51 A 1 ATOM 426 C CD1 . PHE A 1 51 ? 2.126 -1.413 1.655 1.00 88.70 51 A 1 ATOM 427 C CD2 . PHE A 1 51 ? 3.692 -0.643 3.348 1.00 89.26 51 A 1 ATOM 428 C CE1 . PHE A 1 51 ? 1.660 -0.098 1.490 1.00 87.74 51 A 1 ATOM 429 C CE2 . PHE A 1 51 ? 3.225 0.672 3.188 1.00 88.12 51 A 1 ATOM 430 C CZ . PHE A 1 51 ? 2.206 0.946 2.259 1.00 89.03 51 A 1 ATOM 431 N N . LYS A 1 52 ? 0.928 -4.725 3.296 1.00 93.51 52 A 1 ATOM 432 C CA . LYS A 1 52 ? -0.520 -4.931 3.242 1.00 93.91 52 A 1 ATOM 433 C C . LYS A 1 52 ? -1.096 -5.192 4.634 1.00 93.83 52 A 1 ATOM 434 O O . LYS A 1 52 ? -2.060 -4.543 5.013 1.00 93.74 52 A 1 ATOM 435 C CB . LYS A 1 52 ? -0.844 -6.076 2.270 1.00 94.16 52 A 1 ATOM 436 C CG . LYS A 1 52 ? -2.364 -6.188 2.086 1.00 92.65 52 A 1 ATOM 437 C CD . LYS A 1 52 ? -2.777 -7.416 1.278 1.00 89.27 52 A 1 ATOM 438 C CE . LYS A 1 52 ? -4.307 -7.481 1.155 1.00 82.72 52 A 1 ATOM 439 N NZ . LYS A 1 52 ? -4.997 -7.438 2.477 1.00 75.41 52 A 1 ATOM 440 N N . SER A 1 53 ? -0.465 -6.070 5.420 1.00 94.25 53 A 1 ATOM 441 C CA . SER A 1 53 ? -0.911 -6.373 6.791 1.00 94.04 53 A 1 ATOM 442 C C . SER A 1 53 ? -0.914 -5.125 7.685 1.00 93.61 53 A 1 ATOM 443 O O . SER A 1 53 ? -1.849 -4.907 8.450 1.00 92.57 53 A 1 ATOM 444 C CB . SER A 1 53 ? -0.016 -7.440 7.432 1.00 94.36 53 A 1 ATOM 445 O OG . SER A 1 53 ? 0.006 -8.626 6.663 1.00 82.88 53 A 1 ATOM 446 N N . CYS A 1 54 ? 0.106 -4.259 7.569 1.00 93.09 54 A 1 ATOM 447 C CA . CYS A 1 54 ? 0.119 -2.974 8.271 1.00 91.65 54 A 1 ATOM 448 C C . CYS A 1 54 ? -1.036 -2.063 7.828 1.00 91.63 54 A 1 ATOM 449 O O . CYS A 1 54 ? -1.690 -1.460 8.675 1.00 90.15 54 A 1 ATOM 450 C CB . CYS A 1 54 ? 1.463 -2.271 8.048 1.00 89.81 54 A 1 ATOM 451 S SG . CYS A 1 54 ? 2.799 -3.151 8.909 1.00 78.26 54 A 1 ATOM 452 N N . CYS A 1 55 ? -1.307 -1.974 6.519 1.00 90.70 55 A 1 ATOM 453 C CA . CYS A 1 55 ? -2.414 -1.174 5.990 1.00 89.65 55 A 1 ATOM 454 C C . CYS A 1 55 ? -3.777 -1.688 6.475 1.00 89.52 55 A 1 ATOM 455 O O . CYS A 1 55 ? -4.597 -0.880 6.902 1.00 88.44 55 A 1 ATOM 456 C CB . CYS A 1 55 ? -2.353 -1.154 4.457 1.00 89.11 55 A 1 ATOM 457 S SG . CYS A 1 55 ? -0.893 -0.231 3.887 1.00 88.03 55 A 1 ATOM 458 N N . ASP A 1 56 ? -3.993 -3.006 6.479 1.00 87.77 56 A 1 ATOM 459 C CA . ASP A 1 56 ? -5.228 -3.627 6.969 1.00 87.50 56 A 1 ATOM 460 C C . ASP A 1 56 ? -5.466 -3.256 8.448 1.00 87.56 56 A 1 ATOM 461 O O . ASP A 1 56 ? -6.523 -2.730 8.796 1.00 86.39 56 A 1 ATOM 462 C CB . ASP A 1 56 ? -5.174 -5.157 6.760 1.00 87.21 56 A 1 ATOM 463 C CG . ASP A 1 56 ? -5.146 -5.638 5.291 1.00 85.57 56 A 1 ATOM 464 O OD1 . ASP A 1 56 ? -5.564 -4.918 4.358 1.00 83.06 56 A 1 ATOM 465 O OD2 . ASP A 1 56 ? -4.713 -6.793 5.040 1.00 82.30 56 A 1 ATOM 466 N N . ILE A 1 57 ? -4.438 -3.375 9.307 1.00 87.81 57 A 1 ATOM 467 C CA . ILE A 1 57 ? -4.516 -2.971 10.725 1.00 87.50 57 A 1 ATOM 468 C C . ILE A 1 57 ? -4.814 -1.470 10.866 1.00 86.77 57 A 1 ATOM 469 O O . ILE A 1 57 ? -5.606 -1.061 11.719 1.00 85.92 57 A 1 ATOM 470 C CB . ILE A 1 57 ? -3.202 -3.339 11.458 1.00 87.94 57 A 1 ATOM 471 C CG1 . ILE A 1 57 ? -3.034 -4.877 11.542 1.00 85.71 57 A 1 ATOM 472 C CG2 . ILE A 1 57 ? -3.149 -2.738 12.880 1.00 85.35 57 A 1 ATOM 473 C CD1 . ILE A 1 57 ? -1.615 -5.319 11.927 1.00 80.08 57 A 1 ATOM 474 N N . MET A 1 58 ? -4.181 -0.614 10.054 1.00 86.73 58 A 1 ATOM 475 C CA . MET A 1 58 ? -4.434 0.829 10.081 1.00 83.94 58 A 1 ATOM 476 C C . MET A 1 58 ? -5.886 1.161 9.729 1.00 83.13 58 A 1 ATOM 477 O O . MET A 1 58 ? -6.479 2.026 10.374 1.00 82.10 58 A 1 ATOM 478 C CB . MET A 1 58 ? -3.487 1.564 9.123 1.00 81.85 58 A 1 ATOM 479 C CG . MET A 1 58 ? -2.056 1.646 9.651 1.00 75.31 58 A 1 ATOM 480 S SD . MET A 1 58 ? -0.863 2.384 8.492 1.00 72.49 58 A 1 ATOM 481 C CE . MET A 1 58 ? -1.498 4.079 8.412 1.00 63.91 58 A 1 ATOM 482 N N . MET A 1 59 ? -6.462 0.478 8.739 1.00 83.93 59 A 1 ATOM 483 C CA . MET A 1 59 ? -7.861 0.651 8.343 1.00 81.79 59 A 1 ATOM 484 C C . MET A 1 59 ? -8.818 0.169 9.439 1.00 82.25 59 A 1 ATOM 485 O O . MET A 1 59 ? -9.712 0.922 9.831 1.00 80.10 59 A 1 ATOM 486 C CB . MET A 1 59 ? -8.118 -0.081 7.017 1.00 78.81 59 A 1 ATOM 487 C CG . MET A 1 59 ? -7.417 0.593 5.831 1.00 71.43 59 A 1 ATOM 488 S SD . MET A 1 59 ? -7.919 2.299 5.460 1.00 65.87 59 A 1 ATOM 489 C CE . MET A 1 59 ? -9.638 2.023 4.964 1.00 58.36 59 A 1 ATOM 490 N N . ASP A 1 60 ? -8.585 -1.022 9.996 1.00 79.19 60 A 1 ATOM 491 C CA . ASP A 1 60 ? -9.423 -1.612 11.048 1.00 80.14 60 A 1 ATOM 492 C C . ASP A 1 60 ? -9.447 -0.761 12.324 1.00 80.05 60 A 1 ATOM 493 O O . ASP A 1 60 ? -10.487 -0.609 12.971 1.00 78.52 60 A 1 ATOM 494 C CB . ASP A 1 60 ? -8.901 -3.017 11.394 1.00 79.67 60 A 1 ATOM 495 C CG . ASP A 1 60 ? -9.195 -4.085 10.333 1.00 72.88 60 A 1 ATOM 496 O OD1 . ASP A 1 60 ? -10.022 -3.825 9.426 1.00 68.63 60 A 1 ATOM 497 O OD2 . ASP A 1 60 ? -8.629 -5.192 10.485 1.00 67.38 60 A 1 ATOM 498 N N . LEU A 1 61 ? -8.299 -0.163 12.696 1.00 80.66 61 A 1 ATOM 499 C CA . LEU A 1 61 ? -8.171 0.676 13.889 1.00 79.97 61 A 1 ATOM 500 C C . LEU A 1 61 ? -8.476 2.160 13.633 1.00 78.35 61 A 1 ATOM 501 O O . LEU A 1 61 ? -8.429 2.965 14.569 1.00 75.88 61 A 1 ATOM 502 C CB . LEU A 1 61 ? -6.775 0.473 14.503 1.00 80.81 61 A 1 ATOM 503 C CG . LEU A 1 61 ? -6.468 -0.967 14.959 1.00 76.51 61 A 1 ATOM 504 C CD1 . LEU A 1 61 ? -5.050 -1.022 15.523 1.00 73.58 61 A 1 ATOM 505 C CD2 . LEU A 1 61 ? -7.427 -1.445 16.052 1.00 73.57 61 A 1 ATOM 506 N N . GLY A 1 62 ? -8.754 2.562 12.384 1.00 78.53 62 A 1 ATOM 507 C CA . GLY A 1 62 ? -8.955 3.970 12.025 1.00 76.01 62 A 1 ATOM 508 C C . GLY A 1 62 ? -7.728 4.849 12.295 1.00 75.55 62 A 1 ATOM 509 O O . GLY A 1 62 ? -7.860 6.046 12.581 1.00 72.79 62 A 1 ATOM 510 N N . ILE A 1 63 ? -6.518 4.268 12.260 1.00 77.69 63 A 1 ATOM 511 C CA . ILE A 1 63 ? -5.267 4.999 12.490 1.00 74.82 63 A 1 ATOM 512 C C . ILE A 1 63 ? -4.986 5.889 11.279 1.00 71.05 63 A 1 ATOM 513 O O . ILE A 1 63 ? -4.960 5.433 10.143 1.00 64.93 63 A 1 ATOM 514 C CB . ILE A 1 63 ? -4.094 4.036 12.797 1.00 73.24 63 A 1 ATOM 515 C CG1 . ILE A 1 63 ? -4.376 3.243 14.096 1.00 66.98 63 A 1 ATOM 516 C CG2 . ILE A 1 63 ? -2.769 4.811 12.929 1.00 65.08 63 A 1 ATOM 517 C CD1 . ILE A 1 63 ? -3.350 2.145 14.397 1.00 61.49 63 A 1 ATOM 518 N N . GLY A 1 64 ? -4.747 7.182 11.533 1.00 60.45 64 A 1 ATOM 519 C CA . GLY A 1 64 ? -4.517 8.177 10.482 1.00 58.73 64 A 1 ATOM 520 C C . GLY A 1 64 ? -5.774 8.928 10.036 1.00 58.94 64 A 1 ATOM 521 O O . GLY A 1 64 ? -5.687 9.741 9.114 1.00 55.51 64 A 1 ATOM 522 N N . ASP A 1 65 ? -6.925 8.736 10.695 1.00 52.94 65 A 1 ATOM 523 C CA . ASP A 1 65 ? -8.092 9.599 10.489 1.00 54.06 65 A 1 ATOM 524 C C . ASP A 1 65 ? -7.776 11.029 10.966 1.00 54.94 65 A 1 ATOM 525 O O . ASP A 1 65 ? -7.659 11.316 12.161 1.00 51.83 65 A 1 ATOM 526 C CB . ASP A 1 65 ? -9.358 9.022 11.156 1.00 50.50 65 A 1 ATOM 527 C CG . ASP A 1 65 ? -10.640 9.786 10.767 1.00 45.74 65 A 1 ATOM 528 O OD1 . ASP A 1 65 ? -10.550 10.831 10.078 1.00 42.53 65 A 1 ATOM 529 O OD2 . ASP A 1 65 ? -11.760 9.349 11.125 1.00 41.76 65 A 1 ATOM 530 N N . ARG A 1 66 ? -7.651 11.950 10.002 1.00 46.10 66 A 1 ATOM 531 C CA . ARG A 1 66 ? -7.319 13.366 10.231 1.00 47.03 66 A 1 ATOM 532 C C . ARG A 1 66 ? -8.497 14.200 10.744 1.00 46.74 66 A 1 ATOM 533 O O . ARG A 1 66 ? -8.342 15.403 10.950 1.00 44.95 66 A 1 ATOM 534 C CB . ARG A 1 66 ? -6.734 13.985 8.956 1.00 44.31 66 A 1 ATOM 535 C CG . ARG A 1 66 ? -5.396 13.349 8.563 1.00 40.12 66 A 1 ATOM 536 C CD . ARG A 1 66 ? -4.814 14.123 7.386 1.00 38.71 66 A 1 ATOM 537 N NE . ARG A 1 66 ? -3.535 13.545 6.950 1.00 35.56 66 A 1 ATOM 538 C CZ . ARG A 1 66 ? -2.790 13.988 5.958 1.00 33.64 66 A 1 ATOM 539 N NH1 . ARG A 1 66 ? -3.134 15.028 5.251 1.00 32.71 66 A 1 ATOM 540 N NH2 . ARG A 1 66 ? -1.676 13.386 5.658 1.00 32.19 66 A 1 ATOM 541 N N . LYS A 1 67 ? -9.675 13.615 10.978 1.00 48.62 67 A 1 ATOM 542 C CA . LYS A 1 67 ? -10.845 14.360 11.487 1.00 49.93 67 A 1 ATOM 543 C C . LYS A 1 67 ? -10.549 15.106 12.791 1.00 49.54 67 A 1 ATOM 544 O O . LYS A 1 67 ? -11.091 16.189 13.010 1.00 46.83 67 A 1 ATOM 545 C CB . LYS A 1 67 ? -12.022 13.404 11.693 1.00 47.96 67 A 1 ATOM 546 C CG . LYS A 1 67 ? -12.696 13.031 10.369 1.00 44.03 67 A 1 ATOM 547 C CD . LYS A 1 67 ? -13.757 11.958 10.626 1.00 41.83 67 A 1 ATOM 548 C CE . LYS A 1 67 ? -14.198 11.307 9.317 1.00 38.73 67 A 1 ATOM 549 N NZ . LYS A 1 67 ? -14.660 9.930 9.596 1.00 35.30 67 A 1 ATOM 550 N N . LYS A 1 68 ? -9.640 14.586 13.637 1.00 50.40 68 A 1 ATOM 551 C CA . LYS A 1 68 ? -9.218 15.245 14.886 1.00 52.88 68 A 1 ATOM 552 C C . LYS A 1 68 ? -8.266 16.430 14.681 1.00 52.39 68 A 1 ATOM 553 O O . LYS A 1 68 ? -8.189 17.277 15.562 1.00 50.10 68 A 1 ATOM 554 C CB . LYS A 1 68 ? -8.605 14.216 15.847 1.00 52.01 68 A 1 ATOM 555 C CG . LYS A 1 68 ? -9.648 13.209 16.359 1.00 47.44 68 A 1 ATOM 556 C CD . LYS A 1 68 ? -9.025 12.256 17.384 1.00 44.64 68 A 1 ATOM 557 C CE . LYS A 1 68 ? -10.069 11.254 17.878 1.00 41.71 68 A 1 ATOM 558 N NZ . LYS A 1 68 ? -9.482 10.266 18.816 1.00 37.61 68 A 1 ATOM 559 N N . GLU A 1 69 ? -7.556 16.527 13.556 1.00 46.99 69 A 1 ATOM 560 C CA . GLU A 1 69 ? -6.677 17.677 13.278 1.00 48.56 69 A 1 ATOM 561 C C . GLU A 1 69 ? -7.495 18.926 12.907 1.00 47.71 69 A 1 ATOM 562 O O . GLU A 1 69 ? -7.150 20.036 13.304 1.00 46.21 69 A 1 ATOM 563 C CB . GLU A 1 69 ? -5.664 17.340 12.167 1.00 47.99 69 A 1 ATOM 564 C CG . GLU A 1 69 ? -4.655 16.252 12.583 1.00 42.52 69 A 1 ATOM 565 C CD . GLU A 1 69 ? -3.629 15.914 11.482 1.00 40.09 69 A 1 ATOM 566 O OE1 . GLU A 1 69 ? -2.651 15.209 11.803 1.00 37.93 69 A 1 ATOM 567 O OE2 . GLU A 1 69 ? -3.837 16.288 10.304 1.00 39.65 69 A 1 ATOM 568 N N . VAL A 1 70 ? -8.632 18.751 12.224 1.00 49.56 70 A 1 ATOM 569 C CA . VAL A 1 70 ? -9.509 19.866 11.822 1.00 51.84 70 A 1 ATOM 570 C C . VAL A 1 70 ? -10.232 20.477 13.026 1.00 51.55 70 A 1 ATOM 571 O O . VAL A 1 70 ? -10.400 21.695 13.097 1.00 49.58 70 A 1 ATOM 572 C CB . VAL A 1 70 ? -10.501 19.409 10.734 1.00 50.86 70 A 1 ATOM 573 C CG1 . VAL A 1 70 ? -11.366 20.568 10.230 1.00 43.74 70 A 1 ATOM 574 C CG2 . VAL A 1 70 ? -9.769 18.818 9.518 1.00 45.11 70 A 1 ATOM 575 N N . SER A 1 71 ? -10.614 19.670 14.022 1.00 51.17 71 A 1 ATOM 576 C CA . SER A 1 71 ? -11.293 20.156 15.233 1.00 54.47 71 A 1 ATOM 577 C C . SER A 1 71 ? -10.387 20.953 16.177 1.00 53.19 71 A 1 ATOM 578 O O . SER A 1 71 ? -10.887 21.780 16.937 1.00 52.35 71 A 1 ATOM 579 C CB . SER A 1 71 ? -11.950 18.996 15.984 1.00 54.04 71 A 1 ATOM 580 O OG . SER A 1 71 ? -11.051 17.933 16.220 1.00 47.06 71 A 1 ATOM 581 N N . LEU A 1 72 ? -9.062 20.766 16.125 1.00 53.04 72 A 1 ATOM 582 C CA . LEU A 1 72 ? -8.108 21.533 16.939 1.00 56.47 72 A 1 ATOM 583 C C . LEU A 1 72 ? -7.863 22.952 16.400 1.00 54.63 72 A 1 ATOM 584 O O . LEU A 1 72 ? -7.477 23.831 17.165 1.00 52.62 72 A 1 ATOM 585 C CB . LEU A 1 72 ? -6.791 20.745 17.051 1.00 55.66 72 A 1 ATOM 586 C CG . LEU A 1 72 ? -6.886 19.483 17.930 1.00 50.20 72 A 1 ATOM 587 C CD1 . LEU A 1 72 ? -5.623 18.640 17.766 1.00 47.58 72 A 1 ATOM 588 C CD2 . LEU A 1 72 ? -7.035 19.824 19.415 1.00 49.69 72 A 1 ATOM 589 N N . VAL A 1 73 ? -8.115 23.194 15.109 1.00 55.58 73 A 1 ATOM 590 C CA . VAL A 1 73 ? -7.917 24.517 14.480 1.00 58.92 73 A 1 ATOM 591 C C . VAL A 1 73 ? -9.152 25.421 14.627 1.00 57.06 73 A 1 ATOM 592 O O . VAL A 1 73 ? -9.036 26.641 14.556 1.00 54.58 73 A 1 ATOM 593 C CB . VAL A 1 73 ? -7.485 24.345 13.010 1.00 57.70 73 A 1 ATOM 594 C CG1 . VAL A 1 73 ? -7.164 25.676 12.322 1.00 50.04 73 A 1 ATOM 595 C CG2 . VAL A 1 73 ? -6.222 23.476 12.898 1.00 52.30 73 A 1 ATOM 596 N N . GLN A 1 74 ? -10.340 24.861 14.872 1.00 53.37 74 A 1 ATOM 597 C CA . GLN A 1 74 ? -11.599 25.618 15.006 1.00 56.04 74 A 1 ATOM 598 C C . GLN A 1 74 ? -12.007 25.921 16.463 1.00 53.95 74 A 1 ATOM 599 O O . GLN A 1 74 ? -13.062 26.509 16.691 1.00 51.24 74 A 1 ATOM 600 C CB . GLN A 1 74 ? -12.717 24.891 14.241 1.00 55.47 74 A 1 ATOM 601 C CG . GLN A 1 74 ? -12.469 24.917 12.724 1.00 50.83 74 A 1 ATOM 602 C CD . GLN A 1 74 ? -13.620 24.314 11.915 1.00 46.62 74 A 1 ATOM 603 O OE1 . GLN A 1 74 ? -14.513 23.644 12.403 1.00 47.23 74 A 1 ATOM 604 N NE2 . GLN A 1 74 ? -13.639 24.533 10.617 1.00 45.44 74 A 1 ATOM 605 N N . GLY A 1 75 ? -11.195 25.524 17.446 1.00 50.38 75 A 1 ATOM 606 C CA . GLY A 1 75 ? -11.491 25.660 18.882 1.00 54.46 75 A 1 ATOM 607 C C . GLY A 1 75 ? -10.664 26.713 19.629 1.00 51.63 75 A 1 ATOM 608 O O . GLY A 1 75 ? -10.548 26.604 20.845 1.00 48.17 75 A 1 ATOM 609 N N . GLY A 1 76 ? -10.061 27.674 18.915 1.00 45.03 76 A 1 ATOM 610 C CA . GLY A 1 76 ? -9.299 28.793 19.478 1.00 48.41 76 A 1 ATOM 611 C C . GLY A 1 76 ? -10.024 30.122 19.328 1.00 43.50 76 A 1 ATOM 612 O O . GLY A 1 76 ? -10.635 30.334 18.262 1.00 38.67 76 A 1 ATOM 613 O OXT . GLY A 1 76 ? -9.913 30.927 20.288 1.00 44.11 76 A 1 #