# 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_abc1 # _entry.id abc1 # 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" "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 ARG 2 1 n ARG 3 1 n LEU 4 1 n ASN 5 1 n ILE 6 1 n THR 7 1 n THR 8 1 n ALA 9 1 n GLU 10 1 n MET 11 1 n GLU 12 1 n SER 13 1 n VAL 14 1 n CYS 15 1 n GLY 16 1 n ARG 17 1 n MET 18 1 n VAL 19 1 n ALA 20 1 n CYS 21 1 n ARG 22 1 n ALA 23 1 n ALA 24 1 n GLU 25 1 n HIS 26 1 n LEU 27 1 n GLY 28 1 n LEU 29 1 n ASN 30 1 n ILE 31 1 n ASN 32 1 n GLN 33 1 n PHE 34 1 n TYR 35 1 n TYR 36 1 n ILE 37 1 n ALA 38 1 n LYS 39 1 n LYS 40 1 n LEU 41 1 n SER 42 1 n LEU 43 1 n LYS 44 1 n THR 45 1 n ALA 46 1 n PHE 47 1 n ILE 48 1 n LYS 49 1 n PRO 50 1 n ARG 51 1 n TRP 52 1 n SER 53 1 n ASP 54 1 n ASP 55 1 n GLU 56 1 n ASP 57 1 n LYS 58 1 n ARG 59 1 n MET 60 1 n GLN 61 1 n THR 62 1 n LEU 63 1 n ILE 64 1 n SER 65 1 n SER 66 1 n GLY 67 1 n TYR 68 1 n THR 69 1 n GLN 70 1 n ARG 71 1 n ASN 72 1 n VAL 73 1 n ALA 74 1 n LYS 75 1 n ILE 76 1 n LEU 77 1 n GLY 78 1 n ARG 79 1 n SER 80 1 n GLU 81 1 n GLU 82 1 n SER 83 1 n VAL 84 1 n LYS 85 1 n SER 86 1 n ARG 87 1 n LEU 88 1 n SER 89 1 n ARG 90 1 n LEU 91 1 n ARG 92 1 n LYS 93 1 n LYS 94 # _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 19:30:39)" _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 88.02 _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 45.18 1 1 A ARG 2 2 49.07 1 2 A ARG 3 2 53.08 1 3 A LEU 4 2 70.23 1 4 A ASN 5 2 77.21 1 5 A ILE 6 2 88.66 1 6 A THR 7 2 91.71 1 7 A THR 8 2 92.10 1 8 A ALA 9 2 95.42 1 9 A GLU 10 2 91.70 1 10 A MET 11 2 95.01 1 11 A GLU 12 2 91.21 1 12 A SER 13 2 92.54 1 13 A VAL 14 2 93.43 1 14 A CYS 15 2 93.31 1 15 A GLY 16 2 88.65 1 16 A ARG 17 2 79.31 1 17 A MET 18 2 85.02 1 18 A VAL 19 2 90.21 1 19 A ALA 20 2 95.37 1 20 A CYS 21 2 92.69 1 21 A ARG 22 2 79.17 1 22 A ALA 23 2 95.20 1 23 A ALA 24 2 95.64 1 24 A GLU 25 2 87.76 1 25 A HIS 26 2 88.28 1 26 A LEU 27 2 94.33 1 27 A GLY 28 2 94.24 1 28 A LEU 29 2 94.23 1 29 A ASN 30 2 91.21 1 30 A ILE 31 2 91.98 1 31 A ASN 32 2 93.03 1 32 A GLN 33 2 92.30 1 33 A PHE 34 2 95.90 1 34 A TYR 35 2 94.47 1 35 A TYR 36 2 90.47 1 36 A ILE 37 2 94.69 1 37 A ALA 38 2 96.07 1 38 A LYS 39 2 88.87 1 39 A LYS 40 2 86.74 1 40 A LEU 41 2 94.02 1 41 A SER 42 2 94.25 1 42 A LEU 43 2 94.34 1 43 A LYS 44 2 84.50 1 44 A THR 45 2 91.06 1 45 A ALA 46 2 88.65 1 46 A PHE 47 2 81.41 1 47 A ILE 48 2 77.31 1 48 A LYS 49 2 70.30 1 49 A PRO 50 2 81.50 1 50 A ARG 51 2 73.67 1 51 A TRP 52 2 94.40 1 52 A SER 53 2 94.09 1 53 A ASP 54 2 90.72 1 54 A ASP 55 2 89.94 1 55 A GLU 56 2 91.42 1 56 A ASP 57 2 94.68 1 57 A LYS 58 2 90.65 1 58 A ARG 59 2 86.03 1 59 A MET 60 2 93.75 1 60 A GLN 61 2 90.11 1 61 A THR 62 2 95.67 1 62 A LEU 63 2 97.14 1 63 A ILE 64 2 94.66 1 64 A SER 65 2 94.33 1 65 A SER 66 2 96.40 1 66 A GLY 67 2 97.72 1 67 A TYR 68 2 95.75 1 68 A THR 69 2 96.40 1 69 A GLN 70 2 93.78 1 70 A ARG 71 2 84.84 1 71 A ASN 72 2 93.91 1 72 A VAL 73 2 96.47 1 73 A ALA 74 2 95.25 1 74 A LYS 75 2 88.07 1 75 A ILE 76 2 95.06 1 76 A LEU 77 2 92.12 1 77 A GLY 78 2 87.91 1 78 A ARG 79 2 87.34 1 79 A SER 80 2 90.10 1 80 A GLU 81 2 89.57 1 81 A GLU 82 2 86.40 1 82 A SER 83 2 91.77 1 83 A VAL 84 2 95.82 1 84 A LYS 85 2 88.44 1 85 A SER 86 2 93.56 1 86 A ARG 87 2 91.71 1 87 A LEU 88 2 92.03 1 88 A SER 89 2 92.45 1 89 A ARG 90 2 82.48 1 90 A LEU 91 2 90.86 1 91 A ARG 92 2 80.14 1 92 A LYS 93 2 84.23 1 93 A LYS 94 2 78.46 1 94 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ARG . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n GLU . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n GLU . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n ARG . 17 A 17 A 18 1 n MET . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n ARG . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n HIS . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n GLY . 28 A 28 A 29 1 n LEU . 29 A 29 A 30 1 n ASN . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n ASN . 32 A 32 A 33 1 n GLN . 33 A 33 A 34 1 n PHE . 34 A 34 A 35 1 n TYR . 35 A 35 A 36 1 n TYR . 36 A 36 A 37 1 n ILE . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n LYS . 39 A 39 A 40 1 n LYS . 40 A 40 A 41 1 n LEU . 41 A 41 A 42 1 n SER . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n LYS . 44 A 44 A 45 1 n THR . 45 A 45 A 46 1 n ALA . 46 A 46 A 47 1 n PHE . 47 A 47 A 48 1 n ILE . 48 A 48 A 49 1 n LYS . 49 A 49 A 50 1 n PRO . 50 A 50 A 51 1 n ARG . 51 A 51 A 52 1 n TRP . 52 A 52 A 53 1 n SER . 53 A 53 A 54 1 n ASP . 54 A 54 A 55 1 n ASP . 55 A 55 A 56 1 n GLU . 56 A 56 A 57 1 n ASP . 57 A 57 A 58 1 n LYS . 58 A 58 A 59 1 n ARG . 59 A 59 A 60 1 n MET . 60 A 60 A 61 1 n GLN . 61 A 61 A 62 1 n THR . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n ILE . 64 A 64 A 65 1 n SER . 65 A 65 A 66 1 n SER . 66 A 66 A 67 1 n GLY . 67 A 67 A 68 1 n TYR . 68 A 68 A 69 1 n THR . 69 A 69 A 70 1 n GLN . 70 A 70 A 71 1 n ARG . 71 A 71 A 72 1 n ASN . 72 A 72 A 73 1 n VAL . 73 A 73 A 74 1 n ALA . 74 A 74 A 75 1 n LYS . 75 A 75 A 76 1 n ILE . 76 A 76 A 77 1 n LEU . 77 A 77 A 78 1 n GLY . 78 A 78 A 79 1 n ARG . 79 A 79 A 80 1 n SER . 80 A 80 A 81 1 n GLU . 81 A 81 A 82 1 n GLU . 82 A 82 A 83 1 n SER . 83 A 83 A 84 1 n VAL . 84 A 84 A 85 1 n LYS . 85 A 85 A 86 1 n SER . 86 A 86 A 87 1 n ARG . 87 A 87 A 88 1 n LEU . 88 A 88 A 89 1 n SER . 89 A 89 A 90 1 n ARG . 90 A 90 A 91 1 n LEU . 91 A 91 A 92 1 n ARG . 92 A 92 A 93 1 n LYS . 93 A 93 A 94 1 n LYS . 94 A 94 # _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 ? -3.996 29.268 21.838 1.00 45.53 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.729 28.309 20.742 1.00 49.36 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.982 27.122 21.330 1.00 50.91 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.926 27.338 21.912 1.00 47.93 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.879 28.942 19.630 1.00 47.22 1 A 1 ATOM 6 C CG . MET A 1 1 ? -3.648 29.983 18.814 1.00 42.67 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.623 30.704 17.507 1.00 40.92 1 A 1 ATOM 8 C CE . MET A 1 1 ? -3.716 32.035 16.930 1.00 36.87 1 A 1 ATOM 9 N N . ARG A 1 2 ? -3.522 25.892 21.239 1.00 53.28 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -2.747 24.695 21.615 1.00 58.71 2 A 1 ATOM 11 C C . ARG A 1 2 ? -1.561 24.606 20.651 1.00 60.36 2 A 1 ATOM 12 O O . ARG A 1 2 ? -1.773 24.534 19.441 1.00 58.67 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -3.612 23.418 21.555 1.00 56.10 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -4.572 23.281 22.753 1.00 50.34 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -5.387 21.977 22.671 1.00 48.05 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -6.324 21.832 23.807 1.00 43.29 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -7.263 20.904 23.953 1.00 38.20 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -7.466 19.978 23.056 1.00 37.41 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -8.027 20.890 25.008 1.00 35.38 2 A 1 ATOM 20 N N . ARG A 1 3 ? -0.333 24.666 21.169 1.00 63.21 3 A 1 ATOM 21 C CA . ARG A 1 3 ? 0.855 24.363 20.363 1.00 65.38 3 A 1 ATOM 22 C C . ARG A 1 3 ? 0.716 22.910 19.911 1.00 67.19 3 A 1 ATOM 23 O O . ARG A 1 3 ? 0.641 22.013 20.747 1.00 63.81 3 A 1 ATOM 24 C CB . ARG A 1 3 ? 2.157 24.580 21.157 1.00 61.34 3 A 1 ATOM 25 C CG . ARG A 1 3 ? 2.572 26.062 21.237 1.00 53.40 3 A 1 ATOM 26 C CD . ARG A 1 3 ? 3.904 26.214 21.987 1.00 52.12 3 A 1 ATOM 27 N NE . ARG A 1 3 ? 4.372 27.618 22.029 1.00 45.74 3 A 1 ATOM 28 C CZ . ARG A 1 3 ? 5.424 28.083 22.692 1.00 39.58 3 A 1 ATOM 29 N NH1 . ARG A 1 3 ? 6.182 27.306 23.417 1.00 37.54 3 A 1 ATOM 30 N NH2 . ARG A 1 3 ? 5.737 29.345 22.642 1.00 34.56 3 A 1 ATOM 31 N N . LEU A 1 4 ? 0.612 22.701 18.614 1.00 73.41 4 A 1 ATOM 32 C CA . LEU A 1 4 ? 0.702 21.374 18.028 1.00 73.55 4 A 1 ATOM 33 C C . LEU A 1 4 ? 2.164 20.950 18.199 1.00 76.27 4 A 1 ATOM 34 O O . LEU A 1 4 ? 3.021 21.403 17.445 1.00 72.18 4 A 1 ATOM 35 C CB . LEU A 1 4 ? 0.259 21.437 16.552 1.00 70.70 4 A 1 ATOM 36 C CG . LEU A 1 4 ? -1.224 21.810 16.349 1.00 67.28 4 A 1 ATOM 37 C CD1 . LEU A 1 4 ? -1.471 22.232 14.900 1.00 64.36 4 A 1 ATOM 38 C CD2 . LEU A 1 4 ? -2.158 20.650 16.693 1.00 64.12 4 A 1 ATOM 39 N N . ASN A 1 5 ? 2.441 20.159 19.242 1.00 84.51 5 A 1 ATOM 40 C CA . ASN A 1 5 ? 3.781 19.652 19.560 1.00 84.28 5 A 1 ATOM 41 C C . ASN A 1 5 ? 4.178 18.517 18.602 1.00 85.15 5 A 1 ATOM 42 O O . ASN A 1 5 ? 4.487 17.417 19.038 1.00 81.72 5 A 1 ATOM 43 C CB . ASN A 1 5 ? 3.828 19.198 21.034 1.00 79.91 5 A 1 ATOM 44 C CG . ASN A 1 5 ? 3.814 20.327 22.046 1.00 71.36 5 A 1 ATOM 45 O OD1 . ASN A 1 5 ? 4.053 21.491 21.755 1.00 65.71 5 A 1 ATOM 46 N ND2 . ASN A 1 5 ? 3.544 20.013 23.292 1.00 65.06 5 A 1 ATOM 47 N N . ILE A 1 6 ? 4.094 18.765 17.300 1.00 91.66 6 A 1 ATOM 48 C CA . ILE A 1 6 ? 4.471 17.789 16.283 1.00 92.08 6 A 1 ATOM 49 C C . ILE A 1 6 ? 5.835 18.179 15.749 1.00 92.46 6 A 1 ATOM 50 O O . ILE A 1 6 ? 6.038 19.293 15.252 1.00 90.19 6 A 1 ATOM 51 C CB . ILE A 1 6 ? 3.393 17.671 15.202 1.00 91.59 6 A 1 ATOM 52 C CG1 . ILE A 1 6 ? 2.154 17.056 15.887 1.00 86.97 6 A 1 ATOM 53 C CG2 . ILE A 1 6 ? 3.862 16.799 14.024 1.00 85.24 6 A 1 ATOM 54 C CD1 . ILE A 1 6 ? 0.923 17.070 15.019 1.00 79.05 6 A 1 ATOM 55 N N . THR A 1 7 ? 6.755 17.247 15.884 1.00 93.62 7 A 1 ATOM 56 C CA . THR A 1 7 ? 8.129 17.391 15.415 1.00 93.77 7 A 1 ATOM 57 C C . THR A 1 7 ? 8.210 17.174 13.900 1.00 94.53 7 A 1 ATOM 58 O O . THR A 1 7 ? 7.372 16.516 13.280 1.00 94.12 7 A 1 ATOM 59 C CB . THR A 1 7 ? 9.065 16.437 16.163 1.00 93.13 7 A 1 ATOM 60 O OG1 . THR A 1 7 ? 8.702 15.107 15.918 1.00 87.94 7 A 1 ATOM 61 C CG2 . THR A 1 7 ? 9.067 16.675 17.675 1.00 84.87 7 A 1 ATOM 62 N N . THR A 1 8 ? 9.245 17.726 13.279 1.00 94.86 8 A 1 ATOM 63 C CA . THR A 1 8 ? 9.535 17.490 11.855 1.00 94.94 8 A 1 ATOM 64 C C . THR A 1 8 ? 9.725 16.002 11.561 1.00 95.63 8 A 1 ATOM 65 O O . THR A 1 8 ? 9.193 15.507 10.572 1.00 95.23 8 A 1 ATOM 66 C CB . THR A 1 8 ? 10.784 18.263 11.422 1.00 93.56 8 A 1 ATOM 67 O OG1 . THR A 1 8 ? 11.829 18.052 12.353 1.00 86.41 8 A 1 ATOM 68 C CG2 . THR A 1 8 ? 10.533 19.773 11.398 1.00 84.09 8 A 1 ATOM 69 N N . ALA A 1 9 ? 10.385 15.272 12.469 1.00 95.43 9 A 1 ATOM 70 C CA . ALA A 1 9 ? 10.624 13.836 12.348 1.00 95.57 9 A 1 ATOM 71 C C . ALA A 1 9 ? 9.318 13.017 12.341 1.00 95.89 9 A 1 ATOM 72 O O . ALA A 1 9 ? 9.167 12.089 11.543 1.00 94.98 9 A 1 ATOM 73 C CB . ALA A 1 9 ? 11.541 13.412 13.502 1.00 95.23 9 A 1 ATOM 74 N N . GLU A 1 10 ? 8.342 13.370 13.184 1.00 95.95 10 A 1 ATOM 75 C CA . GLU A 1 10 ? 7.024 12.721 13.182 1.00 95.64 10 A 1 ATOM 76 C C . GLU A 1 10 ? 6.290 12.958 11.860 1.00 96.12 10 A 1 ATOM 77 O O . GLU A 1 10 ? 5.774 12.011 11.261 1.00 95.59 10 A 1 ATOM 78 C CB . GLU A 1 10 ? 6.182 13.241 14.351 1.00 94.89 10 A 1 ATOM 79 C CG . GLU A 1 10 ? 6.641 12.657 15.695 1.00 92.26 10 A 1 ATOM 80 C CD . GLU A 1 10 ? 6.071 13.443 16.885 1.00 89.81 10 A 1 ATOM 81 O OE1 . GLU A 1 10 ? 5.724 12.808 17.898 1.00 82.61 10 A 1 ATOM 82 O OE2 . GLU A 1 10 ? 6.061 14.696 16.785 1.00 82.46 10 A 1 ATOM 83 N N . MET A 1 11 ? 6.312 14.188 11.338 1.00 96.34 11 A 1 ATOM 84 C CA . MET A 1 11 ? 5.718 14.494 10.032 1.00 96.46 11 A 1 ATOM 85 C C . MET A 1 11 ? 6.403 13.724 8.895 1.00 96.68 11 A 1 ATOM 86 O O . MET A 1 11 ? 5.723 13.155 8.043 1.00 96.15 11 A 1 ATOM 87 C CB . MET A 1 11 ? 5.775 16.004 9.769 1.00 96.08 11 A 1 ATOM 88 C CG . MET A 1 11 ? 4.734 16.779 10.581 1.00 94.43 11 A 1 ATOM 89 S SD . MET A 1 11 ? 2.988 16.497 10.127 1.00 93.63 11 A 1 ATOM 90 C CE . MET A 1 11 ? 2.938 17.102 8.427 1.00 90.33 11 A 1 ATOM 91 N N . GLU A 1 12 ? 7.735 13.652 8.882 1.00 95.83 12 A 1 ATOM 92 C CA . GLU A 1 12 ? 8.505 12.889 7.886 1.00 95.24 12 A 1 ATOM 93 C C . GLU A 1 12 ? 8.244 11.378 7.965 1.00 94.66 12 A 1 ATOM 94 O O . GLU A 1 12 ? 8.270 10.682 6.946 1.00 93.13 12 A 1 ATOM 95 C CB . GLU A 1 12 ? 9.999 13.147 8.091 1.00 94.97 12 A 1 ATOM 96 C CG . GLU A 1 12 ? 10.423 14.534 7.589 1.00 92.16 12 A 1 ATOM 97 C CD . GLU A 1 12 ? 11.897 14.852 7.885 1.00 89.44 12 A 1 ATOM 98 O OE1 . GLU A 1 12 ? 12.306 15.985 7.538 1.00 82.89 12 A 1 ATOM 99 O OE2 . GLU A 1 12 ? 12.599 13.976 8.441 1.00 82.58 12 A 1 ATOM 100 N N . SER A 1 13 ? 7.945 10.859 9.168 1.00 95.54 13 A 1 ATOM 101 C CA . SER A 1 13 ? 7.646 9.436 9.355 1.00 94.58 13 A 1 ATOM 102 C C . SER A 1 13 ? 6.349 8.992 8.665 1.00 93.94 13 A 1 ATOM 103 O O . SER A 1 13 ? 6.248 7.841 8.240 1.00 91.63 13 A 1 ATOM 104 C CB . SER A 1 13 ? 7.629 9.085 10.848 1.00 94.04 13 A 1 ATOM 105 O OG . SER A 1 13 ? 6.392 9.408 11.457 1.00 85.51 13 A 1 ATOM 106 N N . VAL A 1 14 ? 5.383 9.899 8.510 1.00 95.14 14 A 1 ATOM 107 C CA . VAL A 1 14 ? 4.054 9.601 7.947 1.00 94.68 14 A 1 ATOM 108 C C . VAL A 1 14 ? 3.848 10.164 6.538 1.00 94.74 14 A 1 ATOM 109 O O . VAL A 1 14 ? 3.132 9.566 5.728 1.00 93.86 14 A 1 ATOM 110 C CB . VAL A 1 14 ? 2.929 10.072 8.893 1.00 94.29 14 A 1 ATOM 111 C CG1 . VAL A 1 14 ? 3.022 9.399 10.271 1.00 90.78 14 A 1 ATOM 112 C CG2 . VAL A 1 14 ? 2.908 11.592 9.089 1.00 90.51 14 A 1 ATOM 113 N N . CYS A 1 15 ? 4.478 11.299 6.209 1.00 95.25 15 A 1 ATOM 114 C CA . CYS A 1 15 ? 4.346 11.945 4.906 1.00 94.58 15 A 1 ATOM 115 C C . CYS A 1 15 ? 4.858 11.037 3.778 1.00 92.90 15 A 1 ATOM 116 O O . CYS A 1 15 ? 5.971 10.525 3.804 1.00 90.05 15 A 1 ATOM 117 C CB . CYS A 1 15 ? 5.070 13.298 4.911 1.00 94.48 15 A 1 ATOM 118 S SG . CYS A 1 15 ? 4.043 14.546 5.748 1.00 92.59 15 A 1 ATOM 119 N N . GLY A 1 16 ? 4.015 10.821 2.766 1.00 91.89 16 A 1 ATOM 120 C CA . GLY A 1 16 ? 4.332 9.953 1.631 1.00 89.21 16 A 1 ATOM 121 C C . GLY A 1 16 ? 4.373 8.446 1.934 1.00 88.66 16 A 1 ATOM 122 O O . GLY A 1 16 ? 4.508 7.655 0.999 1.00 84.84 16 A 1 ATOM 123 N N . ARG A 1 17 ? 4.227 8.010 3.204 1.00 89.61 17 A 1 ATOM 124 C CA . ARG A 1 17 ? 4.203 6.589 3.609 1.00 88.16 17 A 1 ATOM 125 C C . ARG A 1 17 ? 2.792 6.042 3.800 1.00 89.03 17 A 1 ATOM 126 O O . ARG A 1 17 ? 2.583 4.837 3.690 1.00 85.79 17 A 1 ATOM 127 C CB . ARG A 1 17 ? 5.031 6.383 4.883 1.00 87.06 17 A 1 ATOM 128 C CG . ARG A 1 17 ? 6.510 6.754 4.687 1.00 84.04 17 A 1 ATOM 129 C CD . ARG A 1 17 ? 7.307 6.403 5.944 1.00 80.39 17 A 1 ATOM 130 N NE . ARG A 1 17 ? 8.721 6.807 5.813 1.00 75.15 17 A 1 ATOM 131 C CZ . ARG A 1 17 ? 9.702 6.477 6.635 1.00 68.27 17 A 1 ATOM 132 N NH1 . ARG A 1 17 ? 9.523 5.691 7.659 1.00 64.05 17 A 1 ATOM 133 N NH2 . ARG A 1 17 ? 10.903 6.955 6.445 1.00 60.81 17 A 1 ATOM 134 N N . MET A 1 18 ? 1.826 6.917 4.061 1.00 86.89 18 A 1 ATOM 135 C CA . MET A 1 18 ? 0.416 6.558 4.185 1.00 88.73 18 A 1 ATOM 136 C C . MET A 1 18 ? -0.481 7.647 3.597 1.00 90.87 18 A 1 ATOM 137 O O . MET A 1 18 ? -0.029 8.749 3.285 1.00 88.94 18 A 1 ATOM 138 C CB . MET A 1 18 ? 0.083 6.233 5.653 1.00 85.47 18 A 1 ATOM 139 C CG . MET A 1 18 ? 0.238 7.426 6.598 1.00 81.36 18 A 1 ATOM 140 S SD . MET A 1 18 ? -0.130 7.029 8.327 1.00 82.24 18 A 1 ATOM 141 C CE . MET A 1 18 ? 1.342 6.080 8.776 1.00 75.64 18 A 1 ATOM 142 N N . VAL A 1 19 ? -1.765 7.327 3.411 1.00 91.38 19 A 1 ATOM 143 C CA . VAL A 1 19 ? -2.766 8.281 2.914 1.00 92.61 19 A 1 ATOM 144 C C . VAL A 1 19 ? -2.912 9.439 3.905 1.00 94.75 19 A 1 ATOM 145 O O . VAL A 1 19 ? -2.951 9.214 5.112 1.00 94.37 19 A 1 ATOM 146 C CB . VAL A 1 19 ? -4.120 7.584 2.671 1.00 90.56 19 A 1 ATOM 147 C CG1 . VAL A 1 19 ? -5.130 8.527 2.006 1.00 84.02 19 A 1 ATOM 148 C CG2 . VAL A 1 19 ? -3.980 6.359 1.754 1.00 83.79 19 A 1 ATOM 149 N N . ALA A 1 20 ? -3.035 10.668 3.404 1.00 94.97 20 A 1 ATOM 150 C CA . ALA A 1 20 ? -3.029 11.883 4.222 1.00 95.44 20 A 1 ATOM 151 C C . ALA A 1 20 ? -4.062 11.884 5.367 1.00 96.15 20 A 1 ATOM 152 O O . ALA A 1 20 ? -3.745 12.339 6.462 1.00 95.66 20 A 1 ATOM 153 C CB . ALA A 1 20 ? -3.234 13.084 3.293 1.00 94.64 20 A 1 ATOM 154 N N . CYS A 1 21 ? -5.271 11.338 5.160 1.00 95.02 21 A 1 ATOM 155 C CA . CYS A 1 21 ? -6.281 11.228 6.221 1.00 94.71 21 A 1 ATOM 156 C C . CYS A 1 21 ? -5.806 10.337 7.375 1.00 95.26 21 A 1 ATOM 157 O O . CYS A 1 21 ? -5.887 10.746 8.530 1.00 94.16 21 A 1 ATOM 158 C CB . CYS A 1 21 ? -7.614 10.739 5.637 1.00 92.75 21 A 1 ATOM 159 S SG . CYS A 1 21 ? -7.437 9.149 4.768 1.00 84.24 21 A 1 ATOM 160 N N . ARG A 1 22 ? -5.200 9.172 7.076 1.00 94.57 22 A 1 ATOM 161 C CA . ARG A 1 22 ? -4.629 8.277 8.097 1.00 93.70 22 A 1 ATOM 162 C C . ARG A 1 22 ? -3.398 8.876 8.767 1.00 94.91 22 A 1 ATOM 163 O O . ARG A 1 22 ? -3.209 8.680 9.955 1.00 94.18 22 A 1 ATOM 164 C CB . ARG A 1 22 ? -4.274 6.917 7.489 1.00 92.26 22 A 1 ATOM 165 C CG . ARG A 1 22 ? -5.528 6.111 7.151 1.00 84.07 22 A 1 ATOM 166 C CD . ARG A 1 22 ? -5.141 4.651 6.921 1.00 77.79 22 A 1 ATOM 167 N NE . ARG A 1 22 ? -6.337 3.805 6.767 1.00 68.64 22 A 1 ATOM 168 C CZ . ARG A 1 22 ? -6.364 2.484 6.784 1.00 61.53 22 A 1 ATOM 169 N NH1 . ARG A 1 22 ? -5.275 1.773 6.891 1.00 56.14 22 A 1 ATOM 170 N NH2 . ARG A 1 22 ? -7.503 1.852 6.698 1.00 53.03 22 A 1 ATOM 171 N N . ALA A 1 23 ? -2.572 9.603 8.018 1.00 95.14 23 A 1 ATOM 172 C CA . ALA A 1 23 ? -1.426 10.314 8.577 1.00 95.09 23 A 1 ATOM 173 C C . ALA A 1 23 ? -1.865 11.394 9.582 1.00 95.56 23 A 1 ATOM 174 O O . ALA A 1 23 ? -1.280 11.509 10.653 1.00 95.36 23 A 1 ATOM 175 C CB . ALA A 1 23 ? -0.613 10.907 7.418 1.00 94.83 23 A 1 ATOM 176 N N . ALA A 1 24 ? -2.916 12.140 9.242 1.00 96.03 24 A 1 ATOM 177 C CA . ALA A 1 24 ? -3.497 13.133 10.139 1.00 95.75 24 A 1 ATOM 178 C C . ALA A 1 24 ? -4.070 12.482 11.411 1.00 95.66 24 A 1 ATOM 179 O O . ALA A 1 24 ? -3.721 12.901 12.511 1.00 95.16 24 A 1 ATOM 180 C CB . ALA A 1 24 ? -4.554 13.933 9.363 1.00 95.62 24 A 1 ATOM 181 N N . GLU A 1 25 ? -4.868 11.414 11.271 1.00 95.54 25 A 1 ATOM 182 C CA . GLU A 1 25 ? -5.417 10.649 12.401 1.00 94.91 25 A 1 ATOM 183 C C . GLU A 1 25 ? -4.314 10.090 13.308 1.00 94.55 25 A 1 ATOM 184 O O . GLU A 1 25 ? -4.394 10.219 14.527 1.00 93.82 25 A 1 ATOM 185 C CB . GLU A 1 25 ? -6.268 9.480 11.876 1.00 94.47 25 A 1 ATOM 186 C CG . GLU A 1 25 ? -7.628 9.922 11.312 1.00 85.25 25 A 1 ATOM 187 C CD . GLU A 1 25 ? -8.369 8.787 10.572 1.00 81.82 25 A 1 ATOM 188 O OE1 . GLU A 1 25 ? -9.448 9.075 10.010 1.00 75.14 25 A 1 ATOM 189 O OE2 . GLU A 1 25 ? -7.839 7.646 10.503 1.00 74.33 25 A 1 ATOM 190 N N . HIS A 1 26 ? -3.257 9.523 12.722 1.00 95.46 26 A 1 ATOM 191 C CA . HIS A 1 26 ? -2.122 8.963 13.464 1.00 94.60 26 A 1 ATOM 192 C C . HIS A 1 26 ? -1.395 10.015 14.311 1.00 94.71 26 A 1 ATOM 193 O O . HIS A 1 26 ? -0.923 9.712 15.403 1.00 93.40 26 A 1 ATOM 194 C CB . HIS A 1 26 ? -1.165 8.314 12.460 1.00 93.77 26 A 1 ATOM 195 C CG . HIS A 1 26 ? -0.006 7.607 13.111 1.00 90.36 26 A 1 ATOM 196 N ND1 . HIS A 1 26 ? 1.158 8.178 13.558 1.00 78.55 26 A 1 ATOM 197 C CD2 . HIS A 1 26 ? 0.072 6.266 13.398 1.00 78.04 26 A 1 ATOM 198 C CE1 . HIS A 1 26 ? 1.915 7.210 14.110 1.00 80.91 26 A 1 ATOM 199 N NE2 . HIS A 1 26 ? 1.292 6.027 14.023 1.00 83.00 26 A 1 ATOM 200 N N . LEU A 1 27 ? -1.316 11.252 13.812 1.00 95.49 27 A 1 ATOM 201 C CA . LEU A 1 27 ? -0.703 12.375 14.529 1.00 95.12 27 A 1 ATOM 202 C C . LEU A 1 27 ? -1.694 13.140 15.428 1.00 94.81 27 A 1 ATOM 203 O O . LEU A 1 27 ? -1.323 14.143 16.035 1.00 93.81 27 A 1 ATOM 204 C CB . LEU A 1 27 ? -0.026 13.301 13.505 1.00 95.34 27 A 1 ATOM 205 C CG . LEU A 1 27 ? 1.147 12.677 12.724 1.00 94.94 27 A 1 ATOM 206 C CD1 . LEU A 1 27 ? 1.642 13.698 11.700 1.00 92.61 27 A 1 ATOM 207 C CD2 . LEU A 1 27 ? 2.319 12.292 13.629 1.00 92.49 27 A 1 ATOM 208 N N . GLY A 1 28 ? -2.961 12.716 15.483 1.00 94.97 28 A 1 ATOM 209 C CA . GLY A 1 28 ? -4.008 13.428 16.224 1.00 94.42 28 A 1 ATOM 210 C C . GLY A 1 28 ? -4.354 14.803 15.637 1.00 94.55 28 A 1 ATOM 211 O O . GLY A 1 28 ? -4.769 15.709 16.367 1.00 93.02 28 A 1 ATOM 212 N N . LEU A 1 29 ? -4.162 14.987 14.334 1.00 95.22 29 A 1 ATOM 213 C CA . LEU A 1 29 ? -4.419 16.225 13.608 1.00 95.24 29 A 1 ATOM 214 C C . LEU A 1 29 ? -5.729 16.172 12.824 1.00 95.61 29 A 1 ATOM 215 O O . LEU A 1 29 ? -6.126 15.138 12.296 1.00 94.89 29 A 1 ATOM 216 C CB . LEU A 1 29 ? -3.267 16.508 12.634 1.00 94.83 29 A 1 ATOM 217 C CG . LEU A 1 29 ? -1.948 16.936 13.282 1.00 94.28 29 A 1 ATOM 218 C CD1 . LEU A 1 29 ? -0.902 17.115 12.170 1.00 91.61 29 A 1 ATOM 219 C CD2 . LEU A 1 29 ? -2.134 18.264 14.034 1.00 92.17 29 A 1 ATOM 220 N N . ASN A 1 30 ? -6.336 17.334 12.616 1.00 94.85 30 A 1 ATOM 221 C CA . ASN A 1 30 ? -7.291 17.499 11.531 1.00 94.86 30 A 1 ATOM 222 C C . ASN A 1 30 ? -6.537 17.518 10.183 1.00 95.61 30 A 1 ATOM 223 O O . ASN A 1 30 ? -5.424 18.040 10.085 1.00 95.08 30 A 1 ATOM 224 C CB . ASN A 1 30 ? -8.126 18.773 11.792 1.00 93.78 30 A 1 ATOM 225 C CG . ASN A 1 30 ? -9.327 18.954 10.875 1.00 90.40 30 A 1 ATOM 226 O OD1 . ASN A 1 30 ? -9.378 18.500 9.746 1.00 82.60 30 A 1 ATOM 227 N ND2 . ASN A 1 30 ? -10.338 19.664 11.311 1.00 82.48 30 A 1 ATOM 228 N N . ILE A 1 31 ? -7.174 17.021 9.130 1.00 95.81 31 A 1 ATOM 229 C CA . ILE A 1 31 ? -6.633 16.985 7.765 1.00 95.93 31 A 1 ATOM 230 C C . ILE A 1 31 ? -6.113 18.352 7.281 1.00 96.38 31 A 1 ATOM 231 O O . ILE A 1 31 ? -5.047 18.433 6.672 1.00 96.21 31 A 1 ATOM 232 C CB . ILE A 1 31 ? -7.705 16.389 6.820 1.00 95.11 31 A 1 ATOM 233 C CG1 . ILE A 1 31 ? -7.138 16.038 5.433 1.00 88.90 31 A 1 ATOM 234 C CG2 . ILE A 1 31 ? -8.937 17.304 6.643 1.00 87.39 31 A 1 ATOM 235 C CD1 . ILE A 1 31 ? -6.055 14.962 5.476 1.00 80.15 31 A 1 ATOM 236 N N . ASN A 1 32 ? -6.808 19.440 7.614 1.00 96.01 32 A 1 ATOM 237 C CA . ASN A 1 32 ? -6.384 20.795 7.244 1.00 96.04 32 A 1 ATOM 238 C C . ASN A 1 32 ? -5.095 21.220 7.968 1.00 96.12 32 A 1 ATOM 239 O O . ASN A 1 32 ? -4.225 21.854 7.371 1.00 95.64 32 A 1 ATOM 240 C CB . ASN A 1 32 ? -7.532 21.775 7.541 1.00 95.81 32 A 1 ATOM 241 C CG . ASN A 1 32 ? -8.747 21.557 6.653 1.00 93.68 32 A 1 ATOM 242 O OD1 . ASN A 1 32 ? -8.678 20.979 5.583 1.00 85.56 32 A 1 ATOM 243 N ND2 . ASN A 1 32 ? -9.907 22.021 7.068 1.00 85.36 32 A 1 ATOM 244 N N . GLN A 1 33 ? -4.960 20.840 9.248 1.00 96.08 33 A 1 ATOM 245 C CA . GLN A 1 33 ? -3.750 21.096 10.033 1.00 95.78 33 A 1 ATOM 246 C C . GLN A 1 33 ? -2.575 20.289 9.481 1.00 96.10 33 A 1 ATOM 247 O O . GLN A 1 33 ? -1.480 20.830 9.333 1.00 95.78 33 A 1 ATOM 248 C CB . GLN A 1 33 ? -3.983 20.734 11.505 1.00 95.08 33 A 1 ATOM 249 C CG . GLN A 1 33 ? -5.033 21.620 12.191 1.00 92.36 33 A 1 ATOM 250 C CD . GLN A 1 33 ? -5.364 21.111 13.592 1.00 90.90 33 A 1 ATOM 251 O OE1 . GLN A 1 33 ? -5.476 19.923 13.838 1.00 85.64 33 A 1 ATOM 252 N NE2 . GLN A 1 33 ? -5.554 21.975 14.559 1.00 83.02 33 A 1 ATOM 253 N N . PHE A 1 34 ? -2.814 19.019 9.115 1.00 96.09 34 A 1 ATOM 254 C CA . PHE A 1 34 ? -1.812 18.163 8.491 1.00 96.32 34 A 1 ATOM 255 C C . PHE A 1 34 ? -1.261 18.781 7.198 1.00 96.67 34 A 1 ATOM 256 O O . PHE A 1 34 ? -0.051 18.955 7.074 1.00 96.69 34 A 1 ATOM 257 C CB . PHE A 1 34 ? -2.419 16.775 8.247 1.00 96.33 34 A 1 ATOM 258 C CG . PHE A 1 34 ? -1.476 15.843 7.519 1.00 96.60 34 A 1 ATOM 259 C CD1 . PHE A 1 34 ? -1.560 15.694 6.119 1.00 95.06 34 A 1 ATOM 260 C CD2 . PHE A 1 34 ? -0.478 15.157 8.237 1.00 95.30 34 A 1 ATOM 261 C CE1 . PHE A 1 34 ? -0.650 14.864 5.445 1.00 95.09 34 A 1 ATOM 262 C CE2 . PHE A 1 34 ? 0.429 14.324 7.560 1.00 95.04 34 A 1 ATOM 263 C CZ . PHE A 1 34 ? 0.346 14.178 6.163 1.00 95.76 34 A 1 ATOM 264 N N . TYR A 1 35 ? -2.134 19.193 6.266 1.00 96.61 35 A 1 ATOM 265 C CA . TYR A 1 35 ? -1.686 19.834 5.023 1.00 96.57 35 A 1 ATOM 266 C C . TYR A 1 35 ? -0.979 21.172 5.259 1.00 96.65 35 A 1 ATOM 267 O O . TYR A 1 35 ? 0.002 21.470 4.575 1.00 96.24 35 A 1 ATOM 268 C CB . TYR A 1 35 ? -2.873 20.032 4.073 1.00 96.27 35 A 1 ATOM 269 C CG . TYR A 1 35 ? -3.313 18.779 3.342 1.00 95.97 35 A 1 ATOM 270 C CD1 . TYR A 1 35 ? -2.401 18.088 2.517 1.00 93.18 35 A 1 ATOM 271 C CD2 . TYR A 1 35 ? -4.639 18.316 3.457 1.00 93.15 35 A 1 ATOM 272 C CE1 . TYR A 1 35 ? -2.806 16.934 1.818 1.00 92.20 35 A 1 ATOM 273 C CE2 . TYR A 1 35 ? -5.050 17.163 2.759 1.00 92.24 35 A 1 ATOM 274 C CZ . TYR A 1 35 ? -4.133 16.471 1.941 1.00 93.42 35 A 1 ATOM 275 O OH . TYR A 1 35 ? -4.526 15.353 1.271 1.00 91.11 35 A 1 ATOM 276 N N . TYR A 1 36 ? -1.433 21.964 6.227 1.00 95.59 36 A 1 ATOM 277 C CA . TYR A 1 36 ? -0.775 23.219 6.583 1.00 95.31 36 A 1 ATOM 278 C C . TYR A 1 36 ? 0.664 22.992 7.072 1.00 95.72 36 A 1 ATOM 279 O O . TYR A 1 36 ? 1.591 23.639 6.583 1.00 95.53 36 A 1 ATOM 280 C CB . TYR A 1 36 ? -1.619 23.949 7.638 1.00 94.76 36 A 1 ATOM 281 C CG . TYR A 1 36 ? -0.970 25.228 8.127 1.00 91.92 36 A 1 ATOM 282 C CD1 . TYR A 1 36 ? -0.230 25.228 9.329 1.00 88.60 36 A 1 ATOM 283 C CD2 . TYR A 1 36 ? -1.071 26.408 7.363 1.00 88.46 36 A 1 ATOM 284 C CE1 . TYR A 1 36 ? 0.406 26.407 9.763 1.00 85.37 36 A 1 ATOM 285 C CE2 . TYR A 1 36 ? -0.436 27.587 7.794 1.00 85.92 36 A 1 ATOM 286 C CZ . TYR A 1 36 ? 0.304 27.587 8.996 1.00 85.00 36 A 1 ATOM 287 O OH . TYR A 1 36 ? 0.920 28.724 9.417 1.00 83.44 36 A 1 ATOM 288 N N . ILE A 1 37 ? 0.855 22.040 8.002 1.00 95.67 37 A 1 ATOM 289 C CA . ILE A 1 37 ? 2.185 21.717 8.543 1.00 95.62 37 A 1 ATOM 290 C C . ILE A 1 37 ? 3.070 21.103 7.455 1.00 96.09 37 A 1 ATOM 291 O O . ILE A 1 37 ? 4.207 21.539 7.277 1.00 96.02 37 A 1 ATOM 292 C CB . ILE A 1 37 ? 2.067 20.799 9.778 1.00 95.48 37 A 1 ATOM 293 C CG1 . ILE A 1 37 ? 1.313 21.515 10.925 1.00 94.35 37 A 1 ATOM 294 C CG2 . ILE A 1 37 ? 3.466 20.387 10.278 1.00 93.86 37 A 1 ATOM 295 C CD1 . ILE A 1 37 ? 0.875 20.562 12.046 1.00 90.39 37 A 1 ATOM 296 N N . ALA A 1 38 ? 2.547 20.163 6.662 1.00 96.22 38 A 1 ATOM 297 C CA . ALA A 1 38 ? 3.291 19.547 5.565 1.00 96.05 38 A 1 ATOM 298 C C . ALA A 1 38 ? 3.758 20.587 4.533 1.00 96.13 38 A 1 ATOM 299 O O . ALA A 1 38 ? 4.915 20.572 4.120 1.00 95.92 38 A 1 ATOM 300 C CB . ALA A 1 38 ? 2.405 18.471 4.921 1.00 96.04 38 A 1 ATOM 301 N N . LYS A 1 39 ? 2.896 21.540 4.170 1.00 96.43 39 A 1 ATOM 302 C CA . LYS A 1 39 ? 3.255 22.651 3.273 1.00 95.77 39 A 1 ATOM 303 C C . LYS A 1 39 ? 4.333 23.546 3.882 1.00 95.72 39 A 1 ATOM 304 O O . LYS A 1 39 ? 5.271 23.912 3.184 1.00 95.35 39 A 1 ATOM 305 C CB . LYS A 1 39 ? 1.991 23.446 2.911 1.00 95.54 39 A 1 ATOM 306 C CG . LYS A 1 39 ? 2.278 24.539 1.867 1.00 88.12 39 A 1 ATOM 307 C CD . LYS A 1 39 ? 0.998 25.287 1.466 1.00 85.28 39 A 1 ATOM 308 C CE . LYS A 1 39 ? 1.344 26.356 0.420 1.00 77.90 39 A 1 ATOM 309 N NZ . LYS A 1 39 ? 0.148 27.135 -0.007 1.00 69.71 39 A 1 ATOM 310 N N . LYS A 1 40 ? 4.217 23.870 5.180 1.00 95.42 40 A 1 ATOM 311 C CA . LYS A 1 40 ? 5.213 24.682 5.898 1.00 94.38 40 A 1 ATOM 312 C C . LYS A 1 40 ? 6.589 24.011 5.941 1.00 94.72 40 A 1 ATOM 313 O O . LYS A 1 40 ? 7.597 24.701 5.850 1.00 93.69 40 A 1 ATOM 314 C CB . LYS A 1 40 ? 4.685 24.986 7.306 1.00 93.16 40 A 1 ATOM 315 C CG . LYS A 1 40 ? 5.611 25.945 8.070 1.00 84.69 40 A 1 ATOM 316 C CD . LYS A 1 40 ? 5.051 26.271 9.459 1.00 81.98 40 A 1 ATOM 317 C CE . LYS A 1 40 ? 6.040 27.198 10.173 1.00 74.89 40 A 1 ATOM 318 N NZ . LYS A 1 40 ? 5.586 27.542 11.547 1.00 67.74 40 A 1 ATOM 319 N N . LEU A 1 41 ? 6.617 22.684 6.066 1.00 95.75 41 A 1 ATOM 320 C CA . LEU A 1 41 ? 7.841 21.876 6.087 1.00 95.26 41 A 1 ATOM 321 C C . LEU A 1 41 ? 8.298 21.420 4.687 1.00 95.57 41 A 1 ATOM 322 O O . LEU A 1 41 ? 9.260 20.673 4.572 1.00 94.55 41 A 1 ATOM 323 C CB . LEU A 1 41 ? 7.625 20.682 7.036 1.00 95.14 41 A 1 ATOM 324 C CG . LEU A 1 41 ? 7.349 21.056 8.506 1.00 94.24 41 A 1 ATOM 325 C CD1 . LEU A 1 41 ? 7.075 19.781 9.305 1.00 90.85 41 A 1 ATOM 326 C CD2 . LEU A 1 41 ? 8.524 21.793 9.155 1.00 90.80 41 A 1 ATOM 327 N N . SER A 1 42 ? 7.602 21.844 3.617 1.00 96.17 42 A 1 ATOM 328 C CA . SER A 1 42 ? 7.872 21.423 2.231 1.00 95.95 42 A 1 ATOM 329 C C . SER A 1 42 ? 7.864 19.895 2.022 1.00 95.98 42 A 1 ATOM 330 O O . SER A 1 42 ? 8.544 19.369 1.137 1.00 94.20 42 A 1 ATOM 331 C CB . SER A 1 42 ? 9.150 22.082 1.697 1.00 95.43 42 A 1 ATOM 332 O OG . SER A 1 42 ? 9.023 23.492 1.762 1.00 87.79 42 A 1 ATOM 333 N N . LEU A 1 43 ? 7.070 19.159 2.817 1.00 95.75 43 A 1 ATOM 334 C CA . LEU A 1 43 ? 6.958 17.703 2.739 1.00 95.66 43 A 1 ATOM 335 C C . LEU A 1 43 ? 5.927 17.276 1.687 1.00 95.67 43 A 1 ATOM 336 O O . LEU A 1 43 ? 4.834 17.836 1.578 1.00 94.35 43 A 1 ATOM 337 C CB . LEU A 1 43 ? 6.625 17.114 4.120 1.00 95.44 43 A 1 ATOM 338 C CG . LEU A 1 43 ? 7.703 17.360 5.191 1.00 94.77 43 A 1 ATOM 339 C CD1 . LEU A 1 43 ? 7.217 16.816 6.534 1.00 91.61 43 A 1 ATOM 340 C CD2 . LEU A 1 43 ? 9.032 16.688 4.850 1.00 91.46 43 A 1 ATOM 341 N N . LYS A 1 44 ? 6.249 16.228 0.929 1.00 94.58 44 A 1 ATOM 342 C CA . LYS A 1 44 ? 5.326 15.612 -0.030 1.00 93.24 44 A 1 ATOM 343 C C . LYS A 1 44 ? 4.321 14.730 0.712 1.00 94.24 44 A 1 ATOM 344 O O . LYS A 1 44 ? 4.696 13.745 1.333 1.00 91.59 44 A 1 ATOM 345 C CB . LYS A 1 44 ? 6.096 14.816 -1.095 1.00 90.76 44 A 1 ATOM 346 C CG . LYS A 1 44 ? 6.950 15.727 -1.992 1.00 83.88 44 A 1 ATOM 347 C CD . LYS A 1 44 ? 7.691 14.914 -3.068 1.00 78.72 44 A 1 ATOM 348 C CE . LYS A 1 44 ? 8.557 15.854 -3.914 1.00 71.20 44 A 1 ATOM 349 N NZ . LYS A 1 44 ? 9.356 15.127 -4.937 1.00 62.26 44 A 1 ATOM 350 N N . THR A 1 45 ? 3.040 15.046 0.586 1.00 92.67 45 A 1 ATOM 351 C CA . THR A 1 45 ? 1.939 14.293 1.219 1.00 92.39 45 A 1 ATOM 352 C C . THR A 1 45 ? 1.351 13.199 0.328 1.00 92.24 45 A 1 ATOM 353 O O . THR A 1 45 ? 0.521 12.413 0.772 1.00 89.42 45 A 1 ATOM 354 C CB . THR A 1 45 ? 0.821 15.247 1.655 1.00 92.19 45 A 1 ATOM 355 O OG1 . THR A 1 45 ? 0.367 15.990 0.544 1.00 90.00 45 A 1 ATOM 356 C CG2 . THR A 1 45 ? 1.307 16.251 2.695 1.00 88.52 45 A 1 ATOM 357 N N . ALA A 1 46 ? 1.754 13.147 -0.939 1.00 91.27 46 A 1 ATOM 358 C CA . ALA A 1 46 ? 1.264 12.154 -1.885 1.00 89.40 46 A 1 ATOM 359 C C . ALA A 1 46 ? 1.765 10.757 -1.500 1.00 89.06 46 A 1 ATOM 360 O O . ALA A 1 46 ? 2.956 10.462 -1.602 1.00 85.85 46 A 1 ATOM 361 C CB . ALA A 1 46 ? 1.687 12.553 -3.303 1.00 87.68 46 A 1 ATOM 362 N N . PHE A 1 47 ? 0.836 9.881 -1.098 1.00 89.10 47 A 1 ATOM 363 C CA . PHE A 1 47 ? 1.131 8.469 -0.903 1.00 86.41 47 A 1 ATOM 364 C C . PHE A 1 47 ? 1.160 7.759 -2.255 1.00 85.27 47 A 1 ATOM 365 O O . PHE A 1 47 ? 0.126 7.584 -2.909 1.00 83.08 47 A 1 ATOM 366 C CB . PHE A 1 47 ? 0.109 7.843 0.042 1.00 85.21 47 A 1 ATOM 367 C CG . PHE A 1 47 ? 0.316 6.353 0.227 1.00 82.96 47 A 1 ATOM 368 C CD1 . PHE A 1 47 ? -0.618 5.435 -0.289 1.00 79.16 47 A 1 ATOM 369 C CD2 . PHE A 1 47 ? 1.466 5.882 0.888 1.00 79.32 47 A 1 ATOM 370 C CE1 . PHE A 1 47 ? -0.413 4.055 -0.128 1.00 73.90 47 A 1 ATOM 371 C CE2 . PHE A 1 47 ? 1.674 4.499 1.042 1.00 76.02 47 A 1 ATOM 372 C CZ . PHE A 1 47 ? 0.732 3.585 0.539 1.00 75.11 47 A 1 ATOM 373 N N . ILE A 1 48 ? 2.347 7.342 -2.670 1.00 84.34 48 A 1 ATOM 374 C CA . ILE A 1 48 ? 2.535 6.524 -3.866 1.00 82.21 48 A 1 ATOM 375 C C . ILE A 1 48 ? 2.669 5.079 -3.407 1.00 81.96 48 A 1 ATOM 376 O O . ILE A 1 48 ? 3.646 4.704 -2.759 1.00 79.08 48 A 1 ATOM 377 C CB . ILE A 1 48 ? 3.736 7.007 -4.706 1.00 80.38 48 A 1 ATOM 378 C CG1 . ILE A 1 48 ? 3.550 8.492 -5.112 1.00 72.27 48 A 1 ATOM 379 C CG2 . ILE A 1 48 ? 3.888 6.114 -5.950 1.00 72.04 48 A 1 ATOM 380 C CD1 . ILE A 1 48 ? 4.755 9.101 -5.836 1.00 66.19 48 A 1 ATOM 381 N N . LYS A 1 49 ? 1.672 4.247 -3.748 1.00 80.09 49 A 1 ATOM 382 C CA . LYS A 1 49 ? 1.750 2.814 -3.464 1.00 77.94 49 A 1 ATOM 383 C C . LYS A 1 49 ? 2.929 2.218 -4.241 1.00 79.70 49 A 1 ATOM 384 O O . LYS A 1 49 ? 2.989 2.418 -5.460 1.00 77.41 49 A 1 ATOM 385 C CB . LYS A 1 49 ? 0.412 2.139 -3.801 1.00 74.47 49 A 1 ATOM 386 C CG . LYS A 1 49 ? 0.363 0.699 -3.273 1.00 67.59 49 A 1 ATOM 387 C CD . LYS A 1 49 ? -1.036 0.099 -3.440 1.00 65.02 49 A 1 ATOM 388 C CE . LYS A 1 49 ? -1.075 -1.298 -2.814 1.00 59.29 49 A 1 ATOM 389 N NZ . LYS A 1 49 ? -2.440 -1.885 -2.836 1.00 51.21 49 A 1 ATOM 390 N N . PRO A 1 50 ? 3.842 1.481 -3.585 1.00 81.57 50 A 1 ATOM 391 C CA . PRO A 1 50 ? 4.965 0.863 -4.277 1.00 82.50 50 A 1 ATOM 392 C C . PRO A 1 50 ? 4.479 -0.036 -5.418 1.00 86.33 50 A 1 ATOM 393 O O . PRO A 1 50 ? 3.501 -0.783 -5.267 1.00 84.91 50 A 1 ATOM 394 C CB . PRO A 1 50 ? 5.743 0.077 -3.217 1.00 79.16 50 A 1 ATOM 395 C CG . PRO A 1 50 ? 5.371 0.777 -1.913 1.00 76.58 50 A 1 ATOM 396 C CD . PRO A 1 50 ? 3.945 1.265 -2.159 1.00 79.46 50 A 1 ATOM 397 N N . ARG A 1 51 ? 5.155 0.032 -6.566 1.00 88.48 51 A 1 ATOM 398 C CA . ARG A 1 51 ? 4.902 -0.888 -7.683 1.00 89.64 51 A 1 ATOM 399 C C . ARG A 1 51 ? 5.270 -2.316 -7.268 1.00 91.77 51 A 1 ATOM 400 O O . ARG A 1 51 ? 6.031 -2.520 -6.326 1.00 89.32 51 A 1 ATOM 401 C CB . ARG A 1 51 ? 5.652 -0.432 -8.947 1.00 86.50 51 A 1 ATOM 402 C CG . ARG A 1 51 ? 5.063 0.871 -9.522 1.00 76.24 51 A 1 ATOM 403 C CD . ARG A 1 51 ? 5.735 1.239 -10.851 1.00 71.37 51 A 1 ATOM 404 N NE . ARG A 1 51 ? 5.131 2.444 -11.462 1.00 64.20 51 A 1 ATOM 405 C CZ . ARG A 1 51 ? 5.485 3.002 -12.611 1.00 54.77 51 A 1 ATOM 406 N NH1 . ARG A 1 51 ? 6.453 2.525 -13.346 1.00 50.96 51 A 1 ATOM 407 N NH2 . ARG A 1 51 ? 4.872 4.064 -13.050 1.00 47.08 51 A 1 ATOM 408 N N . TRP A 1 52 ? 4.682 -3.288 -7.942 1.00 93.27 52 A 1 ATOM 409 C CA . TRP A 1 52 ? 5.076 -4.683 -7.802 1.00 94.72 52 A 1 ATOM 410 C C . TRP A 1 52 ? 6.471 -4.868 -8.392 1.00 95.22 52 A 1 ATOM 411 O O . TRP A 1 52 ? 6.708 -4.419 -9.518 1.00 93.33 52 A 1 ATOM 412 C CB . TRP A 1 52 ? 4.052 -5.571 -8.507 1.00 94.79 52 A 1 ATOM 413 C CG . TRP A 1 52 ? 2.759 -5.725 -7.772 1.00 95.32 52 A 1 ATOM 414 C CD1 . TRP A 1 52 ? 1.664 -4.940 -7.886 1.00 93.43 52 A 1 ATOM 415 C CD2 . TRP A 1 52 ? 2.420 -6.748 -6.794 1.00 95.17 52 A 1 ATOM 416 N NE1 . TRP A 1 52 ? 0.667 -5.408 -7.049 1.00 94.11 52 A 1 ATOM 417 C CE2 . TRP A 1 52 ? 1.084 -6.527 -6.353 1.00 95.16 52 A 1 ATOM 418 C CE3 . TRP A 1 52 ? 3.122 -7.845 -6.238 1.00 94.93 52 A 1 ATOM 419 C CZ2 . TRP A 1 52 ? 0.463 -7.363 -5.412 1.00 94.48 52 A 1 ATOM 420 C CZ3 . TRP A 1 52 ? 2.507 -8.687 -5.293 1.00 93.95 52 A 1 ATOM 421 C CH2 . TRP A 1 52 ? 1.183 -8.449 -4.879 1.00 93.74 52 A 1 ATOM 422 N N . SER A 1 53 ? 7.366 -5.511 -7.640 1.00 94.97 53 A 1 ATOM 423 C CA . SER A 1 53 ? 8.663 -5.967 -8.137 1.00 95.18 53 A 1 ATOM 424 C C . SER A 1 53 ? 8.552 -7.379 -8.720 1.00 96.10 53 A 1 ATOM 425 O O . SER A 1 53 ? 7.634 -8.132 -8.385 1.00 95.74 53 A 1 ATOM 426 C CB . SER A 1 53 ? 9.722 -5.905 -7.031 1.00 94.11 53 A 1 ATOM 427 O OG . SER A 1 53 ? 9.460 -6.840 -6.006 1.00 88.45 53 A 1 ATOM 428 N N . ASP A 1 54 ? 9.508 -7.761 -9.562 1.00 95.24 54 A 1 ATOM 429 C CA . ASP A 1 54 ? 9.559 -9.115 -10.131 1.00 95.57 54 A 1 ATOM 430 C C . ASP A 1 54 ? 9.759 -10.185 -9.046 1.00 96.30 54 A 1 ATOM 431 O O . ASP A 1 54 ? 9.219 -11.290 -9.138 1.00 95.84 54 A 1 ATOM 432 C CB . ASP A 1 54 ? 10.684 -9.189 -11.175 1.00 94.24 54 A 1 ATOM 433 C CG . ASP A 1 54 ? 10.442 -8.272 -12.385 1.00 87.94 54 A 1 ATOM 434 O OD1 . ASP A 1 54 ? 9.256 -8.025 -12.712 1.00 79.75 54 A 1 ATOM 435 O OD2 . ASP A 1 54 ? 11.447 -7.814 -12.968 1.00 80.88 54 A 1 ATOM 436 N N . ASP A 1 55 ? 10.470 -9.842 -7.966 1.00 95.88 55 A 1 ATOM 437 C CA . ASP A 1 55 ? 10.655 -10.733 -6.820 1.00 96.06 55 A 1 ATOM 438 C C . ASP A 1 55 ? 9.360 -10.928 -6.025 1.00 96.59 55 A 1 ATOM 439 O O . ASP A 1 55 ? 9.044 -12.048 -5.615 1.00 96.04 55 A 1 ATOM 440 C CB . ASP A 1 55 ? 11.764 -10.191 -5.910 1.00 95.36 55 A 1 ATOM 441 C CG . ASP A 1 55 ? 13.141 -10.209 -6.584 1.00 85.02 55 A 1 ATOM 442 O OD1 . ASP A 1 55 ? 13.366 -11.094 -7.450 1.00 77.08 55 A 1 ATOM 443 O OD2 . ASP A 1 55 ? 13.947 -9.332 -6.215 1.00 77.48 55 A 1 ATOM 444 N N . GLU A 1 56 ? 8.567 -9.865 -5.846 1.00 96.08 56 A 1 ATOM 445 C CA . GLU A 1 56 ? 7.232 -9.983 -5.250 1.00 95.86 56 A 1 ATOM 446 C C . GLU A 1 56 ? 6.312 -10.841 -6.125 1.00 96.59 56 A 1 ATOM 447 O O . GLU A 1 56 ? 5.561 -11.656 -5.591 1.00 96.42 56 A 1 ATOM 448 C CB . GLU A 1 56 ? 6.589 -8.603 -5.040 1.00 94.70 56 A 1 ATOM 449 C CG . GLU A 1 56 ? 7.145 -7.816 -3.843 1.00 90.77 56 A 1 ATOM 450 C CD . GLU A 1 56 ? 6.421 -6.463 -3.724 1.00 89.10 56 A 1 ATOM 451 O OE1 . GLU A 1 56 ? 5.842 -6.154 -2.656 1.00 81.05 56 A 1 ATOM 452 O OE2 . GLU A 1 56 ? 6.348 -5.704 -4.724 1.00 82.21 56 A 1 ATOM 453 N N . ASP A 1 57 ? 6.381 -10.704 -7.450 1.00 96.20 57 A 1 ATOM 454 C CA . ASP A 1 57 ? 5.593 -11.512 -8.383 1.00 96.47 57 A 1 ATOM 455 C C . ASP A 1 57 ? 5.963 -12.998 -8.312 1.00 96.83 57 A 1 ATOM 456 O O . ASP A 1 57 ? 5.076 -13.846 -8.197 1.00 96.52 57 A 1 ATOM 457 C CB . ASP A 1 57 ? 5.774 -11.004 -9.819 1.00 95.89 57 A 1 ATOM 458 C CG . ASP A 1 57 ? 5.030 -9.710 -10.126 1.00 94.89 57 A 1 ATOM 459 O OD1 . ASP A 1 57 ? 4.034 -9.353 -9.443 1.00 90.44 57 A 1 ATOM 460 O OD2 . ASP A 1 57 ? 5.338 -9.103 -11.173 1.00 90.22 57 A 1 ATOM 461 N N . LYS A 1 58 ? 7.269 -13.325 -8.317 1.00 96.59 58 A 1 ATOM 462 C CA . LYS A 1 58 ? 7.756 -14.703 -8.151 1.00 96.52 58 A 1 ATOM 463 C C . LYS A 1 58 ? 7.308 -15.281 -6.815 1.00 96.85 58 A 1 ATOM 464 O O . LYS A 1 58 ? 6.704 -16.352 -6.776 1.00 96.68 58 A 1 ATOM 465 C CB . LYS A 1 58 ? 9.287 -14.738 -8.245 1.00 96.29 58 A 1 ATOM 466 C CG . LYS A 1 58 ? 9.815 -14.524 -9.672 1.00 92.08 58 A 1 ATOM 467 C CD . LYS A 1 58 ? 11.341 -14.359 -9.623 1.00 87.61 58 A 1 ATOM 468 C CE . LYS A 1 58 ? 11.918 -13.975 -10.984 1.00 81.93 58 A 1 ATOM 469 N NZ . LYS A 1 58 ? 13.346 -13.586 -10.860 1.00 71.28 58 A 1 ATOM 470 N N . ARG A 1 59 ? 7.528 -14.548 -5.718 1.00 97.22 59 A 1 ATOM 471 C CA . ARG A 1 59 ? 7.129 -14.977 -4.371 1.00 97.32 59 A 1 ATOM 472 C C . ARG A 1 59 ? 5.622 -15.202 -4.268 1.00 97.85 59 A 1 ATOM 473 O O . ARG A 1 59 ? 5.190 -16.187 -3.677 1.00 97.57 59 A 1 ATOM 474 C CB . ARG A 1 59 ? 7.630 -13.944 -3.355 1.00 96.84 59 A 1 ATOM 475 C CG . ARG A 1 59 ? 7.431 -14.419 -1.915 1.00 88.39 59 A 1 ATOM 476 C CD . ARG A 1 59 ? 8.036 -13.404 -0.942 1.00 87.30 59 A 1 ATOM 477 N NE . ARG A 1 59 ? 7.908 -13.859 0.458 1.00 78.95 59 A 1 ATOM 478 C CZ . ARG A 1 59 ? 8.300 -13.195 1.531 1.00 73.76 59 A 1 ATOM 479 N NH1 . ARG A 1 59 ? 8.844 -12.013 1.447 1.00 68.44 59 A 1 ATOM 480 N NH2 . ARG A 1 59 ? 8.152 -13.715 2.715 1.00 62.72 59 A 1 ATOM 481 N N . MET A 1 60 ? 4.820 -14.312 -4.865 1.00 97.09 60 A 1 ATOM 482 C CA . MET A 1 60 ? 3.369 -14.461 -4.930 1.00 96.97 60 A 1 ATOM 483 C C . MET A 1 60 ? 2.963 -15.734 -5.682 1.00 97.19 60 A 1 ATOM 484 O O . MET A 1 60 ? 2.123 -16.479 -5.182 1.00 96.95 60 A 1 ATOM 485 C CB . MET A 1 60 ? 2.769 -13.213 -5.589 1.00 95.98 60 A 1 ATOM 486 C CG . MET A 1 60 ? 1.250 -13.297 -5.731 1.00 92.48 60 A 1 ATOM 487 S SD . MET A 1 60 ? 0.477 -11.883 -6.554 1.00 90.87 60 A 1 ATOM 488 C CE . MET A 1 60 ? 1.248 -12.021 -8.192 1.00 82.47 60 A 1 ATOM 489 N N . GLN A 1 61 ? 3.562 -16.004 -6.849 1.00 96.64 61 A 1 ATOM 490 C CA . GLN A 1 61 ? 3.272 -17.213 -7.627 1.00 96.26 61 A 1 ATOM 491 C C . GLN A 1 61 ? 3.633 -18.485 -6.855 1.00 96.73 61 A 1 ATOM 492 O O . GLN A 1 61 ? 2.810 -19.393 -6.787 1.00 96.45 61 A 1 ATOM 493 C CB . GLN A 1 61 ? 4.014 -17.174 -8.966 1.00 95.21 61 A 1 ATOM 494 C CG . GLN A 1 61 ? 3.409 -16.163 -9.956 1.00 90.97 61 A 1 ATOM 495 C CD . GLN A 1 61 ? 4.198 -16.095 -11.265 1.00 86.19 61 A 1 ATOM 496 O OE1 . GLN A 1 61 ? 5.036 -16.920 -11.572 1.00 78.83 61 A 1 ATOM 497 N NE2 . GLN A 1 61 ? 3.958 -15.116 -12.104 1.00 73.74 61 A 1 ATOM 498 N N . THR A 1 62 ? 4.807 -18.524 -6.206 1.00 97.12 62 A 1 ATOM 499 C CA . THR A 1 62 ? 5.230 -19.664 -5.374 1.00 97.56 62 A 1 ATOM 500 C C . THR A 1 62 ? 4.273 -19.919 -4.209 1.00 97.87 62 A 1 ATOM 501 O O . THR A 1 62 ? 3.932 -21.062 -3.921 1.00 97.68 62 A 1 ATOM 502 C CB . THR A 1 62 ? 6.642 -19.430 -4.820 1.00 97.48 62 A 1 ATOM 503 O OG1 . THR A 1 62 ? 7.538 -19.162 -5.870 1.00 92.42 62 A 1 ATOM 504 C CG2 . THR A 1 62 ? 7.203 -20.634 -4.060 1.00 89.56 62 A 1 ATOM 505 N N . LEU A 1 63 ? 3.804 -18.866 -3.541 1.00 97.77 63 A 1 ATOM 506 C CA . LEU A 1 63 ? 2.845 -19.015 -2.440 1.00 97.83 63 A 1 ATOM 507 C C . LEU A 1 63 ? 1.491 -19.547 -2.932 1.00 97.93 63 A 1 ATOM 508 O O . LEU A 1 63 ? 0.914 -20.434 -2.307 1.00 97.68 63 A 1 ATOM 509 C CB . LEU A 1 63 ? 2.684 -17.667 -1.722 1.00 97.95 63 A 1 ATOM 510 C CG . LEU A 1 63 ? 3.899 -17.245 -0.875 1.00 97.35 63 A 1 ATOM 511 C CD1 . LEU A 1 63 ? 3.724 -15.791 -0.428 1.00 95.31 63 A 1 ATOM 512 C CD2 . LEU A 1 63 ? 4.064 -18.109 0.378 1.00 95.26 63 A 1 ATOM 513 N N . ILE A 1 64 ? 1.006 -19.047 -4.067 1.00 97.41 64 A 1 ATOM 514 C CA . ILE A 1 64 ? -0.251 -19.518 -4.667 1.00 96.86 64 A 1 ATOM 515 C C . ILE A 1 64 ? -0.127 -20.974 -5.136 1.00 96.95 64 A 1 ATOM 516 O O . ILE A 1 64 ? -1.040 -21.758 -4.883 1.00 96.23 64 A 1 ATOM 517 C CB . ILE A 1 64 ? -0.690 -18.576 -5.810 1.00 96.20 64 A 1 ATOM 518 C CG1 . ILE A 1 64 ? -1.065 -17.164 -5.297 1.00 94.24 64 A 1 ATOM 519 C CG2 . ILE A 1 64 ? -1.856 -19.161 -6.634 1.00 94.01 64 A 1 ATOM 520 C CD1 . ILE A 1 64 ? -2.341 -17.062 -4.455 1.00 85.39 64 A 1 ATOM 521 N N . SER A 1 65 ? 0.995 -21.357 -5.770 1.00 96.86 65 A 1 ATOM 522 C CA . SER A 1 65 ? 1.224 -22.747 -6.188 1.00 96.64 65 A 1 ATOM 523 C C . SER A 1 65 ? 1.362 -23.707 -5.007 1.00 97.02 65 A 1 ATOM 524 O O . SER A 1 65 ? 0.981 -24.866 -5.116 1.00 96.03 65 A 1 ATOM 525 C CB . SER A 1 65 ? 2.457 -22.850 -7.091 1.00 95.70 65 A 1 ATOM 526 O OG . SER A 1 65 ? 3.638 -22.482 -6.416 1.00 83.71 65 A 1 ATOM 527 N N . SER A 1 66 ? 1.821 -23.200 -3.854 1.00 97.59 66 A 1 ATOM 528 C CA . SER A 1 66 ? 1.885 -23.951 -2.592 1.00 97.73 66 A 1 ATOM 529 C C . SER A 1 66 ? 0.529 -24.061 -1.870 1.00 98.05 66 A 1 ATOM 530 O O . SER A 1 66 ? 0.468 -24.555 -0.748 1.00 96.98 66 A 1 ATOM 531 C CB . SER A 1 66 ? 2.934 -23.339 -1.656 1.00 97.31 66 A 1 ATOM 532 O OG . SER A 1 66 ? 4.194 -23.226 -2.289 1.00 90.76 66 A 1 ATOM 533 N N . GLY A 1 67 ? -0.554 -23.574 -2.472 1.00 97.74 67 A 1 ATOM 534 C CA . GLY A 1 67 ? -1.914 -23.699 -1.933 1.00 97.85 67 A 1 ATOM 535 C C . GLY A 1 67 ? -2.361 -22.579 -0.986 1.00 98.12 67 A 1 ATOM 536 O O . GLY A 1 67 ? -3.443 -22.662 -0.400 1.00 97.19 67 A 1 ATOM 537 N N . TYR A 1 68 ? -1.571 -21.508 -0.831 1.00 97.83 68 A 1 ATOM 538 C CA . TYR A 1 68 ? -1.990 -20.371 -0.007 1.00 97.97 68 A 1 ATOM 539 C C . TYR A 1 68 ? -3.142 -19.603 -0.660 1.00 98.11 68 A 1 ATOM 540 O O . TYR A 1 68 ? -3.159 -19.331 -1.864 1.00 97.47 68 A 1 ATOM 541 C CB . TYR A 1 68 ? -0.819 -19.429 0.300 1.00 97.92 68 A 1 ATOM 542 C CG . TYR A 1 68 ? 0.150 -19.969 1.334 1.00 97.79 68 A 1 ATOM 543 C CD1 . TYR A 1 68 ? 0.050 -19.561 2.682 1.00 93.15 68 A 1 ATOM 544 C CD2 . TYR A 1 68 ? 1.145 -20.889 0.957 1.00 93.54 68 A 1 ATOM 545 C CE1 . TYR A 1 68 ? 0.943 -20.070 3.643 1.00 92.74 68 A 1 ATOM 546 C CE2 . TYR A 1 68 ? 2.033 -21.405 1.917 1.00 93.50 68 A 1 ATOM 547 C CZ . TYR A 1 68 ? 1.935 -20.993 3.260 1.00 95.23 68 A 1 ATOM 548 O OH . TYR A 1 68 ? 2.797 -21.494 4.188 1.00 93.72 68 A 1 ATOM 549 N N . THR A 1 69 ? -4.099 -19.170 0.160 1.00 97.79 69 A 1 ATOM 550 C CA . THR A 1 69 ? -5.185 -18.295 -0.301 1.00 97.82 69 A 1 ATOM 551 C C . THR A 1 69 ? -4.655 -16.897 -0.640 1.00 97.95 69 A 1 ATOM 552 O O . THR A 1 69 ? -3.704 -16.407 -0.024 1.00 97.46 69 A 1 ATOM 553 C CB . THR A 1 69 ? -6.330 -18.190 0.718 1.00 97.36 69 A 1 ATOM 554 O OG1 . THR A 1 69 ? -5.921 -17.521 1.884 1.00 94.30 69 A 1 ATOM 555 C CG2 . THR A 1 69 ? -6.900 -19.551 1.127 1.00 92.11 69 A 1 ATOM 556 N N . GLN A 1 70 ? -5.320 -16.198 -1.559 1.00 97.52 70 A 1 ATOM 557 C CA . GLN A 1 70 ? -4.965 -14.817 -1.927 1.00 97.46 70 A 1 ATOM 558 C C . GLN A 1 70 ? -4.928 -13.877 -0.714 1.00 97.64 70 A 1 ATOM 559 O O . GLN A 1 70 ? -4.059 -13.009 -0.625 1.00 97.16 70 A 1 ATOM 560 C CB . GLN A 1 70 ? -5.972 -14.282 -2.957 1.00 96.75 70 A 1 ATOM 561 C CG . GLN A 1 70 ? -5.908 -15.037 -4.293 1.00 95.04 70 A 1 ATOM 562 C CD . GLN A 1 70 ? -6.986 -14.594 -5.282 1.00 93.01 70 A 1 ATOM 563 O OE1 . GLN A 1 70 ? -7.803 -13.727 -5.037 1.00 86.02 70 A 1 ATOM 564 N NE2 . GLN A 1 70 ? -7.047 -15.195 -6.448 1.00 83.43 70 A 1 ATOM 565 N N . ARG A 1 71 ? -5.818 -14.100 0.259 1.00 97.02 71 A 1 ATOM 566 C CA . ARG A 1 71 ? -5.845 -13.363 1.530 1.00 97.08 71 A 1 ATOM 567 C C . ARG A 1 71 ? -4.580 -13.596 2.358 1.00 97.46 71 A 1 ATOM 568 O O . ARG A 1 71 ? -4.017 -12.644 2.899 1.00 96.57 71 A 1 ATOM 569 C CB . ARG A 1 71 ? -7.106 -13.773 2.300 1.00 96.53 71 A 1 ATOM 570 C CG . ARG A 1 71 ? -7.245 -12.994 3.624 1.00 89.81 71 A 1 ATOM 571 C CD . ARG A 1 71 ? -8.545 -13.342 4.340 1.00 87.84 71 A 1 ATOM 572 N NE . ARG A 1 71 ? -9.719 -12.911 3.564 1.00 77.82 71 A 1 ATOM 573 C CZ . ARG A 1 71 ? -10.984 -13.179 3.808 1.00 70.08 71 A 1 ATOM 574 N NH1 . ARG A 1 71 ? -11.366 -13.870 4.855 1.00 63.39 71 A 1 ATOM 575 N NH2 . ARG A 1 71 ? -11.883 -12.741 2.975 1.00 59.69 71 A 1 ATOM 576 N N . ASN A 1 72 ? -4.120 -14.845 2.455 1.00 97.54 72 A 1 ATOM 577 C CA . ASN A 1 72 ? -2.900 -15.167 3.193 1.00 97.57 72 A 1 ATOM 578 C C . ASN A 1 72 ? -1.664 -14.606 2.483 1.00 97.84 72 A 1 ATOM 579 O O . ASN A 1 72 ? -0.809 -14.003 3.127 1.00 97.26 72 A 1 ATOM 580 C CB . ASN A 1 72 ? -2.811 -16.685 3.404 1.00 97.26 72 A 1 ATOM 581 C CG . ASN A 1 72 ? -3.799 -17.195 4.440 1.00 94.68 72 A 1 ATOM 582 O OD1 . ASN A 1 72 ? -4.451 -16.444 5.155 1.00 85.06 72 A 1 ATOM 583 N ND2 . ASN A 1 72 ? -3.937 -18.499 4.559 1.00 84.06 72 A 1 ATOM 584 N N . VAL A 1 73 ? -1.608 -14.714 1.153 1.00 97.35 73 A 1 ATOM 585 C CA . VAL A 1 73 ? -0.545 -14.107 0.338 1.00 97.09 73 A 1 ATOM 586 C C . VAL A 1 73 ? -0.507 -12.588 0.522 1.00 96.67 73 A 1 ATOM 587 O O . VAL A 1 73 ? 0.565 -12.020 0.719 1.00 95.95 73 A 1 ATOM 588 C CB . VAL A 1 73 ? -0.731 -14.484 -1.142 1.00 97.18 73 A 1 ATOM 589 C CG1 . VAL A 1 73 ? 0.306 -13.803 -2.039 1.00 95.86 73 A 1 ATOM 590 C CG2 . VAL A 1 73 ? -0.590 -16.000 -1.330 1.00 95.22 73 A 1 ATOM 591 N N . ALA A 1 74 ? -1.664 -11.928 0.534 1.00 96.64 74 A 1 ATOM 592 C CA . ALA A 1 74 ? -1.764 -10.493 0.783 1.00 95.67 74 A 1 ATOM 593 C C . ALA A 1 74 ? -1.173 -10.098 2.146 1.00 94.87 74 A 1 ATOM 594 O O . ALA A 1 74 ? -0.389 -9.150 2.220 1.00 93.79 74 A 1 ATOM 595 C CB . ALA A 1 74 ? -3.237 -10.088 0.662 1.00 95.28 74 A 1 ATOM 596 N N . LYS A 1 75 ? -1.475 -10.869 3.206 1.00 95.37 75 A 1 ATOM 597 C CA . LYS A 1 75 ? -0.895 -10.654 4.544 1.00 94.42 75 A 1 ATOM 598 C C . LYS A 1 75 ? 0.626 -10.837 4.550 1.00 94.07 75 A 1 ATOM 599 O O . LYS A 1 75 ? 1.326 -10.001 5.106 1.00 91.80 75 A 1 ATOM 600 C CB . LYS A 1 75 ? -1.542 -11.599 5.561 1.00 94.60 75 A 1 ATOM 601 C CG . LYS A 1 75 ? -2.993 -11.227 5.900 1.00 89.00 75 A 1 ATOM 602 C CD . LYS A 1 75 ? -3.567 -12.250 6.889 1.00 85.78 75 A 1 ATOM 603 C CE . LYS A 1 75 ? -5.009 -11.916 7.276 1.00 78.31 75 A 1 ATOM 604 N NZ . LYS A 1 75 ? -5.535 -12.880 8.278 1.00 69.28 75 A 1 ATOM 605 N N . ILE A 1 76 ? 1.133 -11.891 3.908 1.00 95.57 76 A 1 ATOM 606 C CA . ILE A 1 76 ? 2.575 -12.195 3.853 1.00 95.52 76 A 1 ATOM 607 C C . ILE A 1 76 ? 3.350 -11.109 3.092 1.00 94.88 76 A 1 ATOM 608 O O . ILE A 1 76 ? 4.451 -10.736 3.493 1.00 93.14 76 A 1 ATOM 609 C CB . ILE A 1 76 ? 2.793 -13.594 3.227 1.00 96.47 76 A 1 ATOM 610 C CG1 . ILE A 1 76 ? 2.252 -14.702 4.163 1.00 96.25 76 A 1 ATOM 611 C CG2 . ILE A 1 76 ? 4.285 -13.858 2.929 1.00 95.58 76 A 1 ATOM 612 C CD1 . ILE A 1 76 ? 2.087 -16.066 3.475 1.00 93.11 76 A 1 ATOM 613 N N . LEU A 1 77 ? 2.783 -10.598 1.999 1.00 94.58 77 A 1 ATOM 614 C CA . LEU A 1 77 ? 3.409 -9.566 1.171 1.00 93.20 77 A 1 ATOM 615 C C . LEU A 1 77 ? 3.131 -8.133 1.657 1.00 91.24 77 A 1 ATOM 616 O O . LEU A 1 77 ? 3.610 -7.182 1.046 1.00 88.32 77 A 1 ATOM 617 C CB . LEU A 1 77 ? 2.971 -9.765 -0.294 1.00 94.28 77 A 1 ATOM 618 C CG . LEU A 1 77 ? 3.389 -11.109 -0.926 1.00 94.64 77 A 1 ATOM 619 C CD1 . LEU A 1 77 ? 2.871 -11.166 -2.363 1.00 90.72 77 A 1 ATOM 620 C CD2 . LEU A 1 77 ? 4.909 -11.297 -0.961 1.00 89.97 77 A 1 ATOM 621 N N . GLY A 1 78 ? 2.323 -7.948 2.709 1.00 90.68 78 A 1 ATOM 622 C CA . GLY A 1 78 ? 1.913 -6.613 3.163 1.00 87.67 78 A 1 ATOM 623 C C . GLY A 1 78 ? 1.087 -5.842 2.122 1.00 88.03 78 A 1 ATOM 624 O O . GLY A 1 78 ? 1.114 -4.610 2.070 1.00 85.27 78 A 1 ATOM 625 N N . ARG A 1 79 ? 0.368 -6.562 1.253 1.00 88.78 79 A 1 ATOM 626 C CA . ARG A 1 79 ? -0.483 -5.997 0.192 1.00 90.27 79 A 1 ATOM 627 C C . ARG A 1 79 ? -1.970 -6.200 0.521 1.00 91.32 79 A 1 ATOM 628 O O . ARG A 1 79 ? -2.338 -7.002 1.374 1.00 89.32 79 A 1 ATOM 629 C CB . ARG A 1 79 ? -0.098 -6.614 -1.170 1.00 89.76 79 A 1 ATOM 630 C CG . ARG A 1 79 ? 1.357 -6.359 -1.635 1.00 87.62 79 A 1 ATOM 631 C CD . ARG A 1 79 ? 1.660 -4.895 -1.955 1.00 86.69 79 A 1 ATOM 632 N NE . ARG A 1 79 ? 3.012 -4.743 -2.556 1.00 86.55 79 A 1 ATOM 633 C CZ . ARG A 1 79 ? 3.489 -3.691 -3.209 1.00 88.03 79 A 1 ATOM 634 N NH1 . ARG A 1 79 ? 2.801 -2.605 -3.403 1.00 80.10 79 A 1 ATOM 635 N NH2 . ARG A 1 79 ? 4.692 -3.709 -3.698 1.00 82.29 79 A 1 ATOM 636 N N . SER A 1 80 ? -2.846 -5.462 -0.147 1.00 91.12 80 A 1 ATOM 637 C CA . SER A 1 80 ? -4.288 -5.727 -0.065 1.00 91.19 80 A 1 ATOM 638 C C . SER A 1 80 ? -4.666 -6.952 -0.905 1.00 93.41 80 A 1 ATOM 639 O O . SER A 1 80 ? -4.082 -7.162 -1.972 1.00 92.98 80 A 1 ATOM 640 C CB . SER A 1 80 ? -5.113 -4.497 -0.480 1.00 88.44 80 A 1 ATOM 641 O OG . SER A 1 80 ? -4.856 -4.103 -1.818 1.00 83.46 80 A 1 ATOM 642 N N . GLU A 1 81 ? -5.675 -7.707 -0.471 1.00 93.16 81 A 1 ATOM 643 C CA . GLU A 1 81 ? -6.204 -8.876 -1.199 1.00 94.44 81 A 1 ATOM 644 C C . GLU A 1 81 ? -6.593 -8.512 -2.641 1.00 95.23 81 A 1 ATOM 645 O O . GLU A 1 81 ? -6.191 -9.185 -3.589 1.00 94.66 81 A 1 ATOM 646 C CB . GLU A 1 81 ? -7.395 -9.442 -0.398 1.00 93.71 81 A 1 ATOM 647 C CG . GLU A 1 81 ? -7.931 -10.775 -0.953 1.00 86.85 81 A 1 ATOM 648 C CD . GLU A 1 81 ? -9.008 -11.434 -0.058 1.00 86.02 81 A 1 ATOM 649 O OE1 . GLU A 1 81 ? -9.581 -12.457 -0.495 1.00 79.88 81 A 1 ATOM 650 O OE2 . GLU A 1 81 ? -9.237 -10.988 1.094 1.00 82.15 81 A 1 ATOM 651 N N . GLU A 1 82 ? -7.245 -7.368 -2.830 1.00 94.87 82 A 1 ATOM 652 C CA . GLU A 1 82 ? -7.612 -6.859 -4.161 1.00 94.94 82 A 1 ATOM 653 C C . GLU A 1 82 ? -6.390 -6.551 -5.044 1.00 95.54 82 A 1 ATOM 654 O O . GLU A 1 82 ? -6.394 -6.805 -6.250 1.00 94.88 82 A 1 ATOM 655 C CB . GLU A 1 82 ? -8.485 -5.603 -3.969 1.00 94.31 82 A 1 ATOM 656 C CG . GLU A 1 82 ? -9.183 -5.151 -5.265 1.00 85.41 82 A 1 ATOM 657 C CD . GLU A 1 82 ? -10.052 -6.256 -5.889 1.00 78.67 82 A 1 ATOM 658 O OE1 . GLU A 1 82 ? -10.129 -6.299 -7.138 1.00 70.70 82 A 1 ATOM 659 O OE2 . GLU A 1 82 ? -10.581 -7.100 -5.133 1.00 68.32 82 A 1 ATOM 660 N N . SER A 1 83 ? -5.300 -6.048 -4.449 1.00 94.88 83 A 1 ATOM 661 C CA . SER A 1 83 ? -4.046 -5.809 -5.174 1.00 94.29 83 A 1 ATOM 662 C C . SER A 1 83 ? -3.420 -7.115 -5.667 1.00 95.89 83 A 1 ATOM 663 O O . SER A 1 83 ? -2.939 -7.163 -6.799 1.00 95.24 83 A 1 ATOM 664 C CB . SER A 1 83 ? -3.058 -5.056 -4.275 1.00 91.85 83 A 1 ATOM 665 O OG . SER A 1 83 ? -1.927 -4.594 -4.994 1.00 78.48 83 A 1 ATOM 666 N N . VAL A 1 84 ? -3.428 -8.169 -4.837 1.00 94.97 84 A 1 ATOM 667 C CA . VAL A 1 84 ? -2.942 -9.512 -5.197 1.00 96.27 84 A 1 ATOM 668 C C . VAL A 1 84 ? -3.802 -10.112 -6.309 1.00 96.99 84 A 1 ATOM 669 O O . VAL A 1 84 ? -3.270 -10.540 -7.333 1.00 96.99 84 A 1 ATOM 670 C CB . VAL A 1 84 ? -2.911 -10.430 -3.956 1.00 96.46 84 A 1 ATOM 671 C CG1 . VAL A 1 84 ? -2.563 -11.880 -4.302 1.00 95.00 84 A 1 ATOM 672 C CG2 . VAL A 1 84 ? -1.870 -9.931 -2.946 1.00 94.04 84 A 1 ATOM 673 N N . LYS A 1 85 ? -5.129 -10.069 -6.161 1.00 97.16 85 A 1 ATOM 674 C CA . LYS A 1 85 ? -6.086 -10.559 -7.164 1.00 97.06 85 A 1 ATOM 675 C C . LYS A 1 85 ? -5.902 -9.867 -8.516 1.00 97.20 85 A 1 ATOM 676 O O . LYS A 1 85 ? -5.795 -10.534 -9.547 1.00 96.76 85 A 1 ATOM 677 C CB . LYS A 1 85 ? -7.497 -10.344 -6.611 1.00 96.33 85 A 1 ATOM 678 C CG . LYS A 1 85 ? -8.593 -10.927 -7.513 1.00 85.00 85 A 1 ATOM 679 C CD . LYS A 1 85 ? -9.961 -10.625 -6.895 1.00 84.71 85 A 1 ATOM 680 C CE . LYS A 1 85 ? -11.104 -11.123 -7.781 1.00 74.57 85 A 1 ATOM 681 N NZ . LYS A 1 85 ? -12.406 -10.671 -7.234 1.00 67.17 85 A 1 ATOM 682 N N . SER A 1 86 ? -5.807 -8.536 -8.511 1.00 96.64 86 A 1 ATOM 683 C CA . SER A 1 86 ? -5.594 -7.739 -9.725 1.00 96.42 86 A 1 ATOM 684 C C . SER A 1 86 ? -4.257 -8.069 -10.393 1.00 96.94 86 A 1 ATOM 685 O O . SER A 1 86 ? -4.198 -8.228 -11.613 1.00 96.23 86 A 1 ATOM 686 C CB . SER A 1 86 ? -5.671 -6.249 -9.369 1.00 95.32 86 A 1 ATOM 687 O OG . SER A 1 86 ? -5.667 -5.454 -10.540 1.00 79.79 86 A 1 ATOM 688 N N . ARG A 1 87 ? -3.173 -8.228 -9.608 1.00 96.25 87 A 1 ATOM 689 C CA . ARG A 1 87 ? -1.849 -8.575 -10.144 1.00 96.49 87 A 1 ATOM 690 C C . ARG A 1 87 ? -1.829 -9.974 -10.754 1.00 96.72 87 A 1 ATOM 691 O O . ARG A 1 87 ? -1.381 -10.113 -11.887 1.00 96.09 87 A 1 ATOM 692 C CB . ARG A 1 87 ? -0.774 -8.389 -9.061 1.00 96.28 87 A 1 ATOM 693 C CG . ARG A 1 87 ? 0.666 -8.553 -9.590 1.00 93.89 87 A 1 ATOM 694 C CD . ARG A 1 87 ? 1.017 -7.510 -10.660 1.00 92.13 87 A 1 ATOM 695 N NE . ARG A 1 87 ? 2.410 -7.626 -11.116 1.00 89.47 87 A 1 ATOM 696 C CZ . ARG A 1 87 ? 2.951 -7.018 -12.162 1.00 88.05 87 A 1 ATOM 697 N NH1 . ARG A 1 87 ? 2.281 -6.209 -12.926 1.00 80.97 87 A 1 ATOM 698 N NH2 . ARG A 1 87 ? 4.194 -7.218 -12.473 1.00 82.43 87 A 1 ATOM 699 N N . LEU A 1 88 ? -2.391 -10.981 -10.071 1.00 96.32 88 A 1 ATOM 700 C CA . LEU A 1 88 ? -2.527 -12.345 -10.595 1.00 95.61 88 A 1 ATOM 701 C C . LEU A 1 88 ? -3.307 -12.381 -11.911 1.00 95.12 88 A 1 ATOM 702 O O . LEU A 1 88 ? -2.884 -13.039 -12.860 1.00 93.81 88 A 1 ATOM 703 C CB . LEU A 1 88 ? -3.239 -13.231 -9.558 1.00 95.10 88 A 1 ATOM 704 C CG . LEU A 1 88 ? -2.352 -13.671 -8.384 1.00 90.56 88 A 1 ATOM 705 C CD1 . LEU A 1 88 ? -3.227 -14.308 -7.308 1.00 84.93 88 A 1 ATOM 706 C CD2 . LEU A 1 88 ? -1.305 -14.701 -8.827 1.00 84.79 88 A 1 ATOM 707 N N . SER A 1 89 ? -4.415 -11.638 -12.005 1.00 95.98 89 A 1 ATOM 708 C CA . SER A 1 89 ? -5.198 -11.548 -13.244 1.00 95.88 89 A 1 ATOM 709 C C . SER A 1 89 ? -4.384 -10.966 -14.403 1.00 95.71 89 A 1 ATOM 710 O O . SER A 1 89 ? -4.484 -11.453 -15.525 1.00 94.02 89 A 1 ATOM 711 C CB . SER A 1 89 ? -6.454 -10.707 -13.001 1.00 95.35 89 A 1 ATOM 712 O OG . SER A 1 89 ? -7.256 -10.654 -14.168 1.00 77.74 89 A 1 ATOM 713 N N . ARG A 1 90 ? -3.550 -9.952 -14.143 1.00 95.56 90 A 1 ATOM 714 C CA . ARG A 1 90 ? -2.674 -9.362 -15.172 1.00 94.70 90 A 1 ATOM 715 C C . ARG A 1 90 ? -1.569 -10.319 -15.610 1.00 94.15 90 A 1 ATOM 716 O O . ARG A 1 90 ? -1.321 -10.408 -16.802 1.00 91.10 90 A 1 ATOM 717 C CB . ARG A 1 90 ? -2.066 -8.051 -14.664 1.00 93.92 90 A 1 ATOM 718 C CG . ARG A 1 90 ? -3.109 -6.925 -14.584 1.00 88.34 90 A 1 ATOM 719 C CD . ARG A 1 90 ? -2.474 -5.697 -13.928 1.00 84.63 90 A 1 ATOM 720 N NE . ARG A 1 90 ? -3.463 -4.624 -13.722 1.00 75.29 90 A 1 ATOM 721 C CZ . ARG A 1 90 ? -3.408 -3.668 -12.812 1.00 68.47 90 A 1 ATOM 722 N NH1 . ARG A 1 90 ? -2.409 -3.564 -11.977 1.00 63.16 90 A 1 ATOM 723 N NH2 . ARG A 1 90 ? -4.372 -2.796 -12.716 1.00 57.98 90 A 1 ATOM 724 N N . LEU A 1 91 ? -0.943 -11.032 -14.674 1.00 94.60 91 A 1 ATOM 725 C CA . LEU A 1 91 ? 0.118 -11.998 -14.982 1.00 93.10 91 A 1 ATOM 726 C C . LEU A 1 91 ? -0.390 -13.201 -15.789 1.00 92.67 91 A 1 ATOM 727 O O . LEU A 1 91 ? 0.328 -13.689 -16.643 1.00 89.99 91 A 1 ATOM 728 C CB . LEU A 1 91 ? 0.783 -12.466 -13.677 1.00 92.66 91 A 1 ATOM 729 C CG . LEU A 1 91 ? 1.635 -11.391 -12.977 1.00 91.37 91 A 1 ATOM 730 C CD1 . LEU A 1 91 ? 2.095 -11.922 -11.622 1.00 86.21 91 A 1 ATOM 731 C CD2 . LEU A 1 91 ? 2.872 -10.997 -13.786 1.00 86.29 91 A 1 ATOM 732 N N . ARG A 1 92 ? -1.643 -13.643 -15.576 1.00 93.17 92 A 1 ATOM 733 C CA . ARG A 1 92 ? -2.265 -14.725 -16.366 1.00 91.22 92 A 1 ATOM 734 C C . ARG A 1 92 ? -2.614 -14.329 -17.805 1.00 90.80 92 A 1 ATOM 735 O O . ARG A 1 92 ? -2.856 -15.207 -18.618 1.00 86.29 92 A 1 ATOM 736 C CB . ARG A 1 92 ? -3.537 -15.214 -15.659 1.00 89.45 92 A 1 ATOM 737 C CG . ARG A 1 92 ? -3.238 -16.030 -14.401 1.00 84.69 92 A 1 ATOM 738 C CD . ARG A 1 92 ? -4.561 -16.401 -13.720 1.00 81.05 92 A 1 ATOM 739 N NE . ARG A 1 92 ? -4.342 -17.180 -12.489 1.00 74.02 92 A 1 ATOM 740 C CZ . ARG A 1 92 ? -5.279 -17.668 -11.693 1.00 67.67 92 A 1 ATOM 741 N NH1 . ARG A 1 92 ? -6.550 -17.483 -11.932 1.00 64.37 92 A 1 ATOM 742 N NH2 . ARG A 1 92 ? -4.954 -18.356 -10.633 1.00 58.81 92 A 1 ATOM 743 N N . LYS A 1 93 ? -2.718 -13.023 -18.099 1.00 90.94 93 A 1 ATOM 744 C CA . LYS A 1 93 ? -3.062 -12.499 -19.433 1.00 90.42 93 A 1 ATOM 745 C C . LYS A 1 93 ? -1.836 -12.195 -20.296 1.00 88.43 93 A 1 ATOM 746 O O . LYS A 1 93 ? -2.010 -11.789 -21.444 1.00 82.69 93 A 1 ATOM 747 C CB . LYS A 1 93 ? -3.925 -11.237 -19.288 1.00 89.88 93 A 1 ATOM 748 C CG . LYS A 1 93 ? -5.346 -11.533 -18.791 1.00 86.57 93 A 1 ATOM 749 C CD . LYS A 1 93 ? -6.143 -10.222 -18.693 1.00 83.10 93 A 1 ATOM 750 C CE . LYS A 1 93 ? -7.567 -10.514 -18.219 1.00 77.66 93 A 1 ATOM 751 N NZ . LYS A 1 93 ? -8.428 -9.302 -18.295 1.00 68.41 93 A 1 ATOM 752 N N . LYS A 1 94 ? -0.648 -12.299 -19.725 1.00 92.25 94 A 1 ATOM 753 C CA . LYS A 1 94 ? 0.632 -12.017 -20.382 1.00 89.07 94 A 1 ATOM 754 C C . LYS A 1 94 ? 1.257 -13.302 -20.905 1.00 84.77 94 A 1 ATOM 755 O O . LYS A 1 94 ? 1.841 -13.235 -22.001 1.00 76.65 94 A 1 ATOM 756 C CB . LYS A 1 94 ? 1.538 -11.274 -19.384 1.00 84.59 94 A 1 ATOM 757 C CG . LYS A 1 94 ? 2.716 -10.600 -20.099 1.00 78.77 94 A 1 ATOM 758 C CD . LYS A 1 94 ? 3.661 -9.919 -19.106 1.00 75.40 94 A 1 ATOM 759 C CE . LYS A 1 94 ? 4.771 -9.211 -19.887 1.00 70.38 94 A 1 ATOM 760 N NZ . LYS A 1 94 ? 5.855 -8.715 -18.998 1.00 62.02 94 A 1 ATOM 761 O OXT . LYS A 1 94 ? 1.177 -14.301 -20.165 1.00 70.66 94 A 1 #