# 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_abc2 # _entry.id abc2 # 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 PRO 2 1 n ALA 3 1 n PRO 4 1 n LEU 5 1 n TYR 6 1 n GLY 7 1 n ALA 8 1 n ASP 9 1 n ASP 10 1 n PRO 11 1 n ARG 12 1 n ARG 13 1 n CYS 14 1 n SER 15 1 n GLY 16 1 n ASN 17 1 n SER 18 1 n VAL 19 1 n SER 20 1 n GLU 21 1 n VAL 22 1 n LEU 23 1 n ASP 24 1 n LYS 25 1 n PHE 26 1 n ARG 27 1 n LYS 28 1 n ASN 29 1 n TYR 30 1 n ASP 31 1 n LEU 32 1 n ILE 33 1 n MET 34 1 n SER 35 1 n LEU 36 1 n PRO 37 1 n GLN 38 1 n GLU 39 1 n THR 40 1 n LYS 41 1 n GLU 42 1 n GLU 43 1 n LYS 44 1 n GLU 45 1 n PHE 46 1 n ARG 47 1 n HIS 48 1 n CYS 49 1 n ILE 50 1 n TRP 51 1 n LEU 52 1 n ALA 53 1 n GLU 54 1 n LYS 55 1 n GLU 56 1 n GLU 57 1 n ARG 58 1 n GLU 59 1 n ARG 60 1 n ILE 61 1 n TYR 62 1 n GLN 63 1 n THR 64 1 n ALA 65 1 n ILE 66 1 n ARG 67 1 n PRO 68 1 n PHE 69 1 n ARG 70 1 n LYS 71 1 n ALA 72 1 n THR 73 1 n TYR 74 1 n THR 75 1 n LYS 76 1 n PHE 77 1 n ILE 78 1 n GLU 79 1 n ILE 80 1 n ASP 81 1 n PRO 82 1 n ARG 83 1 n LEU 84 1 n ARG 85 1 n ASP 86 1 n TYR 87 1 n ARG 88 1 n SER 89 1 n ARG 90 1 n TYR 91 1 n GLY 92 1 n ALA 93 1 n ILE 94 1 n SER 95 1 n ASN 96 1 n ASN 97 # _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 19:30:38)" _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 69.22 _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 41.83 1 1 A PRO 2 2 49.73 1 2 A ALA 3 2 61.41 1 3 A PRO 4 2 61.89 1 4 A LEU 5 2 62.12 1 5 A TYR 6 2 63.80 1 6 A GLY 7 2 69.90 1 7 A ALA 8 2 67.91 1 8 A ASP 9 2 62.61 1 9 A ASP 10 2 68.34 1 10 A PRO 11 2 73.99 1 11 A ARG 12 2 65.42 1 12 A ARG 13 2 65.24 1 13 A CYS 14 2 69.14 1 14 A SER 15 2 67.92 1 15 A GLY 16 2 73.20 1 16 A ASN 17 2 69.58 1 17 A SER 18 2 80.59 1 18 A VAL 19 2 82.44 1 19 A SER 20 2 84.80 1 20 A GLU 21 2 78.59 1 21 A VAL 22 2 81.56 1 22 A LEU 23 2 83.68 1 23 A ASP 24 2 80.34 1 24 A LYS 25 2 76.58 1 25 A PHE 26 2 79.29 1 26 A ARG 27 2 71.95 1 27 A LYS 28 2 75.99 1 28 A ASN 29 2 76.86 1 29 A TYR 30 2 76.07 1 30 A ASP 31 2 77.54 1 31 A LEU 32 2 76.95 1 32 A ILE 33 2 77.23 1 33 A MET 34 2 75.71 1 34 A SER 35 2 77.06 1 35 A LEU 36 2 71.41 1 36 A PRO 37 2 74.23 1 37 A GLN 38 2 66.48 1 38 A GLU 39 2 73.53 1 39 A THR 40 2 83.04 1 40 A LYS 41 2 82.32 1 41 A GLU 42 2 84.19 1 42 A GLU 43 2 84.08 1 43 A LYS 44 2 81.07 1 44 A GLU 45 2 86.58 1 45 A PHE 46 2 89.51 1 46 A ARG 47 2 77.62 1 47 A HIS 48 2 89.50 1 48 A CYS 49 2 91.86 1 49 A ILE 50 2 89.88 1 50 A TRP 51 2 85.23 1 51 A LEU 52 2 90.06 1 52 A ALA 53 2 94.25 1 53 A GLU 54 2 87.16 1 54 A LYS 55 2 88.33 1 55 A GLU 56 2 86.62 1 56 A GLU 57 2 82.81 1 57 A ARG 58 2 77.46 1 58 A GLU 59 2 83.54 1 59 A ARG 60 2 76.51 1 60 A ILE 61 2 84.99 1 61 A TYR 62 2 76.64 1 62 A GLN 63 2 75.95 1 63 A THR 64 2 77.31 1 64 A ALA 65 2 74.21 1 65 A ILE 66 2 67.44 1 66 A ARG 67 2 56.22 1 67 A PRO 68 2 61.27 1 68 A PHE 69 2 55.60 1 69 A ARG 70 2 51.01 1 70 A LYS 71 2 54.73 1 71 A ALA 72 2 56.30 1 72 A THR 73 2 53.74 1 73 A TYR 74 2 49.74 1 74 A THR 75 2 54.15 1 75 A LYS 76 2 53.15 1 76 A PHE 77 2 50.39 1 77 A ILE 78 2 51.24 1 78 A GLU 79 2 51.27 1 79 A ILE 80 2 58.15 1 80 A ASP 81 2 58.30 1 81 A PRO 82 2 65.29 1 82 A ARG 83 2 59.77 1 83 A LEU 84 2 61.74 1 84 A ARG 85 2 55.85 1 85 A ASP 86 2 58.95 1 86 A TYR 87 2 57.21 1 87 A ARG 88 2 52.87 1 88 A SER 89 2 56.10 1 89 A ARG 90 2 51.59 1 90 A TYR 91 2 53.89 1 91 A GLY 92 2 57.20 1 92 A ALA 93 2 54.18 1 93 A ILE 94 2 52.09 1 94 A SER 95 2 50.15 1 95 A ASN 96 2 44.37 1 96 A ASN 97 2 39.97 1 97 # _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 PRO . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n GLY . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n ASP . 9 A 9 A 10 1 n ASP . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n ARG . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n ASP . 24 A 24 A 25 1 n LYS . 25 A 25 A 26 1 n PHE . 26 A 26 A 27 1 n ARG . 27 A 27 A 28 1 n LYS . 28 A 28 A 29 1 n ASN . 29 A 29 A 30 1 n TYR . 30 A 30 A 31 1 n ASP . 31 A 31 A 32 1 n LEU . 32 A 32 A 33 1 n ILE . 33 A 33 A 34 1 n MET . 34 A 34 A 35 1 n SER . 35 A 35 A 36 1 n LEU . 36 A 36 A 37 1 n PRO . 37 A 37 A 38 1 n GLN . 38 A 38 A 39 1 n GLU . 39 A 39 A 40 1 n THR . 40 A 40 A 41 1 n LYS . 41 A 41 A 42 1 n GLU . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n LYS . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n PHE . 46 A 46 A 47 1 n ARG . 47 A 47 A 48 1 n HIS . 48 A 48 A 49 1 n CYS . 49 A 49 A 50 1 n ILE . 50 A 50 A 51 1 n TRP . 51 A 51 A 52 1 n LEU . 52 A 52 A 53 1 n ALA . 53 A 53 A 54 1 n GLU . 54 A 54 A 55 1 n LYS . 55 A 55 A 56 1 n GLU . 56 A 56 A 57 1 n GLU . 57 A 57 A 58 1 n ARG . 58 A 58 A 59 1 n GLU . 59 A 59 A 60 1 n ARG . 60 A 60 A 61 1 n ILE . 61 A 61 A 62 1 n TYR . 62 A 62 A 63 1 n GLN . 63 A 63 A 64 1 n THR . 64 A 64 A 65 1 n ALA . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n ARG . 67 A 67 A 68 1 n PRO . 68 A 68 A 69 1 n PHE . 69 A 69 A 70 1 n ARG . 70 A 70 A 71 1 n LYS . 71 A 71 A 72 1 n ALA . 72 A 72 A 73 1 n THR . 73 A 73 A 74 1 n TYR . 74 A 74 A 75 1 n THR . 75 A 75 A 76 1 n LYS . 76 A 76 A 77 1 n PHE . 77 A 77 A 78 1 n ILE . 78 A 78 A 79 1 n GLU . 79 A 79 A 80 1 n ILE . 80 A 80 A 81 1 n ASP . 81 A 81 A 82 1 n PRO . 82 A 82 A 83 1 n ARG . 83 A 83 A 84 1 n LEU . 84 A 84 A 85 1 n ARG . 85 A 85 A 86 1 n ASP . 86 A 86 A 87 1 n TYR . 87 A 87 A 88 1 n ARG . 88 A 88 A 89 1 n SER . 89 A 89 A 90 1 n ARG . 90 A 90 A 91 1 n TYR . 91 A 91 A 92 1 n GLY . 92 A 92 A 93 1 n ALA . 93 A 93 A 94 1 n ILE . 94 A 94 A 95 1 n SER . 95 A 95 A 96 1 n ASN . 96 A 96 A 97 1 n ASN . 97 A 97 # _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 ? -3.976 -3.391 -14.414 1.00 36.54 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.946 -2.125 -13.657 1.00 46.36 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.332 -1.511 -13.746 1.00 47.39 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.907 -1.614 -14.826 1.00 45.02 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.899 -1.154 -14.225 1.00 44.69 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.472 -1.618 -13.912 1.00 41.62 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.216 -0.459 -14.504 1.00 38.62 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.276 -1.187 -13.776 1.00 34.43 1 A 1 ATOM 9 N N . PRO A 1 2 ? -5.886 -0.945 -12.669 1.00 45.22 2 A 1 ATOM 10 C CA . PRO A 1 2 ? -7.150 -0.228 -12.774 1.00 50.93 2 A 1 ATOM 11 C C . PRO A 1 2 ? -6.981 0.944 -13.749 1.00 54.15 2 A 1 ATOM 12 O O . PRO A 1 2 ? -5.917 1.571 -13.804 1.00 52.00 2 A 1 ATOM 13 C CB . PRO A 1 2 ? -7.492 0.216 -11.348 1.00 47.31 2 A 1 ATOM 14 C CG . PRO A 1 2 ? -6.136 0.274 -10.648 1.00 46.41 2 A 1 ATOM 15 C CD . PRO A 1 2 ? -5.316 -0.808 -11.336 1.00 52.08 2 A 1 ATOM 16 N N . ALA A 1 3 ? -8.010 1.206 -14.544 1.00 59.81 3 A 1 ATOM 17 C CA . ALA A 1 3 ? -7.999 2.344 -15.452 1.00 62.90 3 A 1 ATOM 18 C C . ALA A 1 3 ? -7.836 3.644 -14.639 1.00 64.23 3 A 1 ATOM 19 O O . ALA A 1 3 ? -8.372 3.742 -13.532 1.00 60.45 3 A 1 ATOM 20 C CB . ALA A 1 3 ? -9.283 2.337 -16.292 1.00 59.65 3 A 1 ATOM 21 N N . PRO A 1 4 ? -7.093 4.638 -15.149 1.00 59.41 4 A 1 ATOM 22 C CA . PRO A 1 4 ? -6.987 5.923 -14.472 1.00 63.08 4 A 1 ATOM 23 C C . PRO A 1 4 ? -8.380 6.550 -14.337 1.00 64.25 4 A 1 ATOM 24 O O . PRO A 1 4 ? -9.202 6.439 -15.245 1.00 63.85 4 A 1 ATOM 25 C CB . PRO A 1 4 ? -6.032 6.757 -15.334 1.00 61.15 4 A 1 ATOM 26 C CG . PRO A 1 4 ? -6.167 6.137 -16.728 1.00 58.67 4 A 1 ATOM 27 C CD . PRO A 1 4 ? -6.433 4.666 -16.443 1.00 62.79 4 A 1 ATOM 28 N N . LEU A 1 5 ? -8.619 7.223 -13.221 1.00 63.14 5 A 1 ATOM 29 C CA . LEU A 1 5 ? -9.913 7.841 -12.905 1.00 65.79 5 A 1 ATOM 30 C C . LEU A 1 5 ? -10.354 8.851 -13.980 1.00 66.50 5 A 1 ATOM 31 O O . LEU A 1 5 ? -11.540 8.982 -14.257 1.00 64.73 5 A 1 ATOM 32 C CB . LEU A 1 5 ? -9.793 8.518 -11.526 1.00 63.61 5 A 1 ATOM 33 C CG . LEU A 1 5 ? -11.118 9.102 -10.984 1.00 59.72 5 A 1 ATOM 34 C CD1 . LEU A 1 5 ? -12.135 8.008 -10.660 1.00 57.83 5 A 1 ATOM 35 C CD2 . LEU A 1 5 ? -10.846 9.888 -9.700 1.00 55.68 5 A 1 ATOM 36 N N . TYR A 1 6 ? -9.380 9.539 -14.581 1.00 65.48 6 A 1 ATOM 37 C CA . TYR A 1 6 ? -9.581 10.505 -15.654 1.00 68.27 6 A 1 ATOM 38 C C . TYR A 1 6 ? -8.791 10.088 -16.895 1.00 66.61 6 A 1 ATOM 39 O O . TYR A 1 6 ? -7.640 9.650 -16.797 1.00 63.64 6 A 1 ATOM 40 C CB . TYR A 1 6 ? -9.193 11.901 -15.156 1.00 66.76 6 A 1 ATOM 41 C CG . TYR A 1 6 ? -9.951 12.347 -13.921 1.00 66.06 6 A 1 ATOM 42 C CD1 . TYR A 1 6 ? -11.352 12.461 -13.961 1.00 64.51 6 A 1 ATOM 43 C CD2 . TYR A 1 6 ? -9.268 12.604 -12.714 1.00 62.21 6 A 1 ATOM 44 C CE1 . TYR A 1 6 ? -12.071 12.830 -12.807 1.00 59.13 6 A 1 ATOM 45 C CE2 . TYR A 1 6 ? -9.981 12.978 -11.558 1.00 60.72 6 A 1 ATOM 46 C CZ . TYR A 1 6 ? -11.385 13.087 -11.606 1.00 61.08 6 A 1 ATOM 47 O OH . TYR A 1 6 ? -12.085 13.436 -10.487 1.00 61.17 6 A 1 ATOM 48 N N . GLY A 1 7 ? -9.407 10.220 -18.073 1.00 69.87 7 A 1 ATOM 49 C CA . GLY A 1 7 ? -8.759 9.991 -19.359 1.00 70.27 7 A 1 ATOM 50 C C . GLY A 1 7 ? -7.593 10.951 -19.614 1.00 71.21 7 A 1 ATOM 51 O O . GLY A 1 7 ? -7.400 11.928 -18.890 1.00 68.25 7 A 1 ATOM 52 N N . ALA A 1 8 ? -6.793 10.671 -20.639 1.00 68.16 8 A 1 ATOM 53 C CA . ALA A 1 8 ? -5.645 11.513 -20.987 1.00 68.96 8 A 1 ATOM 54 C C . ALA A 1 8 ? -6.052 12.945 -21.370 1.00 69.75 8 A 1 ATOM 55 O O . ALA A 1 8 ? -5.337 13.883 -21.027 1.00 66.53 8 A 1 ATOM 56 C CB . ALA A 1 8 ? -4.859 10.833 -22.112 1.00 66.14 8 A 1 ATOM 57 N N . ASP A 1 9 ? -7.215 13.088 -21.988 1.00 66.02 9 A 1 ATOM 58 C CA . ASP A 1 9 ? -7.759 14.353 -22.494 1.00 68.36 9 A 1 ATOM 59 C C . ASP A 1 9 ? -8.730 15.027 -21.508 1.00 70.47 9 A 1 ATOM 60 O O . ASP A 1 9 ? -9.303 16.073 -21.811 1.00 67.28 9 A 1 ATOM 61 C CB . ASP A 1 9 ? -8.429 14.085 -23.850 1.00 65.24 9 A 1 ATOM 62 C CG . ASP A 1 9 ? -7.500 13.341 -24.813 1.00 58.77 9 A 1 ATOM 63 O OD1 . ASP A 1 9 ? -6.337 13.779 -24.965 1.00 52.26 9 A 1 ATOM 64 O OD2 . ASP A 1 9 ? -7.926 12.279 -25.315 1.00 52.46 9 A 1 ATOM 65 N N . ASP A 1 10 ? -8.933 14.447 -20.321 1.00 67.78 10 A 1 ATOM 66 C CA . ASP A 1 10 ? -9.816 15.037 -19.316 1.00 71.91 10 A 1 ATOM 67 C C . ASP A 1 10 ? -9.142 16.272 -18.684 1.00 72.14 10 A 1 ATOM 68 O O . ASP A 1 10 ? -8.044 16.149 -18.125 1.00 71.04 10 A 1 ATOM 69 C CB . ASP A 1 10 ? -10.210 13.983 -18.272 1.00 70.56 10 A 1 ATOM 70 C CG . ASP A 1 10 ? -11.343 14.432 -17.335 1.00 66.84 10 A 1 ATOM 71 O OD1 . ASP A 1 10 ? -11.339 15.586 -16.857 1.00 62.99 10 A 1 ATOM 72 O OD2 . ASP A 1 10 ? -12.236 13.611 -17.032 1.00 63.48 10 A 1 ATOM 73 N N . PRO A 1 11 ? -9.779 17.455 -18.717 1.00 75.02 11 A 1 ATOM 74 C CA . PRO A 1 11 ? -9.205 18.677 -18.147 1.00 74.14 11 A 1 ATOM 75 C C . PRO A 1 11 ? -8.946 18.578 -16.641 1.00 76.20 11 A 1 ATOM 76 O O . PRO A 1 11 ? -8.101 19.304 -16.118 1.00 72.66 11 A 1 ATOM 77 C CB . PRO A 1 11 ? -10.218 19.781 -18.483 1.00 72.09 11 A 1 ATOM 78 C CG . PRO A 1 11 ? -11.539 19.038 -18.646 1.00 72.06 11 A 1 ATOM 79 C CD . PRO A 1 11 ? -11.102 17.708 -19.257 1.00 75.73 11 A 1 ATOM 80 N N . ARG A 1 12 ? -9.603 17.661 -15.936 1.00 70.16 12 A 1 ATOM 81 C CA . ARG A 1 12 ? -9.340 17.387 -14.514 1.00 71.32 12 A 1 ATOM 82 C C . ARG A 1 12 ? -8.019 16.654 -14.286 1.00 72.01 12 A 1 ATOM 83 O O . ARG A 1 12 ? -7.504 16.654 -13.167 1.00 71.00 12 A 1 ATOM 84 C CB . ARG A 1 12 ? -10.498 16.578 -13.923 1.00 70.78 12 A 1 ATOM 85 C CG . ARG A 1 12 ? -11.814 17.363 -13.948 1.00 68.87 12 A 1 ATOM 86 C CD . ARG A 1 12 ? -12.995 16.490 -13.528 1.00 68.00 12 A 1 ATOM 87 N NE . ARG A 1 12 ? -13.327 15.511 -14.573 1.00 61.56 12 A 1 ATOM 88 C CZ . ARG A 1 12 ? -14.401 14.743 -14.619 1.00 58.10 12 A 1 ATOM 89 N NH1 . ARG A 1 12 ? -15.304 14.752 -13.667 1.00 55.77 12 A 1 ATOM 90 N NH2 . ARG A 1 12 ? -14.573 13.959 -15.640 1.00 52.06 12 A 1 ATOM 91 N N . ARG A 1 13 ? -7.460 16.048 -15.317 1.00 73.28 13 A 1 ATOM 92 C CA . ARG A 1 13 ? -6.168 15.374 -15.242 1.00 73.52 13 A 1 ATOM 93 C C . ARG A 1 13 ? -5.023 16.380 -15.367 1.00 70.75 13 A 1 ATOM 94 O O . ARG A 1 13 ? -4.314 16.438 -16.366 1.00 68.56 13 A 1 ATOM 95 C CB . ARG A 1 13 ? -6.118 14.233 -16.267 1.00 72.21 13 A 1 ATOM 96 C CG . ARG A 1 13 ? -4.917 13.330 -15.989 1.00 68.01 13 A 1 ATOM 97 C CD . ARG A 1 13 ? -4.885 12.204 -17.017 1.00 67.02 13 A 1 ATOM 98 N NE . ARG A 1 13 ? -3.718 11.328 -16.799 1.00 61.88 13 A 1 ATOM 99 C CZ . ARG A 1 13 ? -3.301 10.398 -17.644 1.00 57.40 13 A 1 ATOM 100 N NH1 . ARG A 1 13 ? -3.913 10.173 -18.768 1.00 54.98 13 A 1 ATOM 101 N NH2 . ARG A 1 13 ? -2.249 9.690 -17.372 1.00 50.00 13 A 1 ATOM 102 N N . CYS A 1 14 ? -4.803 17.136 -14.307 1.00 71.20 14 A 1 ATOM 103 C CA . CYS A 1 14 ? -3.686 18.068 -14.189 1.00 71.13 14 A 1 ATOM 104 C C . CYS A 1 14 ? -2.390 17.326 -13.820 1.00 70.94 14 A 1 ATOM 105 O O . CYS A 1 14 ? -1.832 17.522 -12.746 1.00 68.31 14 A 1 ATOM 106 C CB . CYS A 1 14 ? -4.055 19.171 -13.192 1.00 68.50 14 A 1 ATOM 107 S SG . CYS A 1 14 ? -5.496 20.088 -13.807 1.00 64.75 14 A 1 ATOM 108 N N . SER A 1 15 ? -1.908 16.438 -14.690 1.00 70.36 15 A 1 ATOM 109 C CA . SER A 1 15 ? -0.622 15.763 -14.498 1.00 71.40 15 A 1 ATOM 110 C C . SER A 1 15 ? 0.526 16.586 -15.087 1.00 70.88 15 A 1 ATOM 111 O O . SER A 1 15 ? 0.387 17.181 -16.154 1.00 66.49 15 A 1 ATOM 112 C CB . SER A 1 15 ? -0.647 14.344 -15.072 1.00 67.75 15 A 1 ATOM 113 O OG . SER A 1 15 ? -0.945 14.343 -16.457 1.00 60.67 15 A 1 ATOM 114 N N . GLY A 1 16 ? 1.665 16.599 -14.407 1.00 72.80 16 A 1 ATOM 115 C CA . GLY A 1 16 ? 2.874 17.281 -14.860 1.00 73.44 16 A 1 ATOM 116 C C . GLY A 1 16 ? 4.106 16.758 -14.140 1.00 74.95 16 A 1 ATOM 117 O O . GLY A 1 16 ? 3.989 16.030 -13.153 1.00 71.62 16 A 1 ATOM 118 N N . ASN A 1 17 ? 5.277 17.144 -14.634 1.00 75.16 17 A 1 ATOM 119 C CA . ASN A 1 17 ? 6.565 16.732 -14.070 1.00 75.91 17 A 1 ATOM 120 C C . ASN A 1 17 ? 7.010 17.626 -12.904 1.00 76.77 17 A 1 ATOM 121 O O . ASN A 1 17 ? 7.940 17.286 -12.180 1.00 72.06 17 A 1 ATOM 122 C CB . ASN A 1 17 ? 7.608 16.723 -15.198 1.00 72.82 17 A 1 ATOM 123 C CG . ASN A 1 17 ? 7.284 15.710 -16.284 1.00 65.82 17 A 1 ATOM 124 O OD1 . ASN A 1 17 ? 6.708 14.661 -16.053 1.00 59.95 17 A 1 ATOM 125 N ND2 . ASN A 1 17 ? 7.642 16.000 -17.514 1.00 58.13 17 A 1 ATOM 126 N N . SER A 1 18 ? 6.348 18.769 -12.721 1.00 78.98 18 A 1 ATOM 127 C CA . SER A 1 18 ? 6.628 19.713 -11.639 1.00 82.46 18 A 1 ATOM 128 C C . SER A 1 18 ? 5.338 20.282 -11.053 1.00 83.00 18 A 1 ATOM 129 O O . SER A 1 18 ? 4.309 20.360 -11.722 1.00 81.24 18 A 1 ATOM 130 C CB . SER A 1 18 ? 7.548 20.835 -12.134 1.00 80.84 18 A 1 ATOM 131 O OG . SER A 1 18 ? 6.878 21.653 -13.073 1.00 77.01 18 A 1 ATOM 132 N N . VAL A 1 19 ? 5.405 20.730 -9.794 1.00 84.53 19 A 1 ATOM 133 C CA . VAL A 1 19 ? 4.264 21.367 -9.110 1.00 85.35 19 A 1 ATOM 134 C C . VAL A 1 19 ? 3.812 22.635 -9.843 1.00 86.30 19 A 1 ATOM 135 O O . VAL A 1 19 ? 2.612 22.859 -9.984 1.00 85.16 19 A 1 ATOM 136 C CB . VAL A 1 19 ? 4.620 21.682 -7.648 1.00 84.15 19 A 1 ATOM 137 C CG1 . VAL A 1 19 ? 3.470 22.382 -6.907 1.00 76.02 19 A 1 ATOM 138 C CG2 . VAL A 1 19 ? 4.965 20.403 -6.873 1.00 75.57 19 A 1 ATOM 139 N N . SER A 1 20 ? 4.755 23.428 -10.355 1.00 86.57 20 A 1 ATOM 140 C CA . SER A 1 20 ? 4.443 24.633 -11.128 1.00 87.00 20 A 1 ATOM 141 C C . SER A 1 20 ? 3.668 24.305 -12.403 1.00 86.22 20 A 1 ATOM 142 O O . SER A 1 20 ? 2.638 24.920 -12.663 1.00 85.25 20 A 1 ATOM 143 C CB . SER A 1 20 ? 5.725 25.396 -11.471 1.00 87.17 20 A 1 ATOM 144 O OG . SER A 1 20 ? 6.697 24.543 -12.040 1.00 76.59 20 A 1 ATOM 145 N N . GLU A 1 21 ? 4.087 23.291 -13.147 1.00 88.15 21 A 1 ATOM 146 C CA . GLU A 1 21 ? 3.403 22.854 -14.364 1.00 86.65 21 A 1 ATOM 147 C C . GLU A 1 21 ? 1.977 22.364 -14.074 1.00 86.48 21 A 1 ATOM 148 O O . GLU A 1 21 ? 1.040 22.674 -14.814 1.00 85.34 21 A 1 ATOM 149 C CB . GLU A 1 21 ? 4.234 21.736 -15.012 1.00 84.67 21 A 1 ATOM 150 C CG . GLU A 1 21 ? 3.727 21.362 -16.410 1.00 75.93 21 A 1 ATOM 151 C CD . GLU A 1 21 ? 4.342 20.064 -16.950 1.00 70.43 21 A 1 ATOM 152 O OE1 . GLU A 1 21 ? 3.780 19.550 -17.943 1.00 64.84 21 A 1 ATOM 153 O OE2 . GLU A 1 21 ? 5.290 19.521 -16.341 1.00 64.86 21 A 1 ATOM 154 N N . VAL A 1 22 ? 1.795 21.630 -12.983 1.00 84.77 22 A 1 ATOM 155 C CA . VAL A 1 22 ? 0.471 21.168 -12.546 1.00 83.73 22 A 1 ATOM 156 C C . VAL A 1 22 ? -0.432 22.352 -12.196 1.00 84.75 22 A 1 ATOM 157 O O . VAL A 1 22 ? -1.584 22.386 -12.627 1.00 84.62 22 A 1 ATOM 158 C CB . VAL A 1 22 ? 0.596 20.195 -11.360 1.00 81.79 22 A 1 ATOM 159 C CG1 . VAL A 1 22 ? -0.770 19.800 -10.785 1.00 75.66 22 A 1 ATOM 160 C CG2 . VAL A 1 22 ? 1.299 18.905 -11.786 1.00 75.59 22 A 1 ATOM 161 N N . LEU A 1 23 ? 0.084 23.336 -11.473 1.00 87.16 23 A 1 ATOM 162 C CA . LEU A 1 23 ? -0.672 24.536 -11.110 1.00 86.89 23 A 1 ATOM 163 C C . LEU A 1 23 ? -1.032 25.386 -12.333 1.00 86.76 23 A 1 ATOM 164 O O . LEU A 1 23 ? -2.152 25.884 -12.413 1.00 87.51 23 A 1 ATOM 165 C CB . LEU A 1 23 ? 0.129 25.367 -10.098 1.00 87.05 23 A 1 ATOM 166 C CG . LEU A 1 23 ? 0.228 24.739 -8.694 1.00 81.14 23 A 1 ATOM 167 C CD1 . LEU A 1 23 ? 1.178 25.571 -7.833 1.00 76.60 23 A 1 ATOM 168 C CD2 . LEU A 1 23 ? -1.127 24.673 -7.987 1.00 76.33 23 A 1 ATOM 169 N N . ASP A 1 24 ? -0.129 25.507 -13.301 1.00 88.20 24 A 1 ATOM 170 C CA . ASP A 1 24 ? -0.401 26.238 -14.538 1.00 86.45 24 A 1 ATOM 171 C C . ASP A 1 24 ? -1.471 25.550 -15.387 1.00 85.50 24 A 1 ATOM 172 O O . ASP A 1 24 ? -2.369 26.210 -15.918 1.00 85.11 24 A 1 ATOM 173 C CB . ASP A 1 24 ? 0.895 26.401 -15.343 1.00 85.29 24 A 1 ATOM 174 C CG . ASP A 1 24 ? 1.844 27.453 -14.764 1.00 75.91 24 A 1 ATOM 175 O OD1 . ASP A 1 24 ? 1.366 28.331 -14.006 1.00 68.75 24 A 1 ATOM 176 O OD2 . ASP A 1 24 ? 3.030 27.408 -15.148 1.00 67.55 24 A 1 ATOM 177 N N . LYS A 1 25 ? -1.430 24.225 -15.480 1.00 85.61 25 A 1 ATOM 178 C CA . LYS A 1 25 ? -2.485 23.441 -16.137 1.00 82.87 25 A 1 ATOM 179 C C . LYS A 1 25 ? -3.818 23.581 -15.410 1.00 82.70 25 A 1 ATOM 180 O O . LYS A 1 25 ? -4.843 23.770 -16.061 1.00 81.64 25 A 1 ATOM 181 C CB . LYS A 1 25 ? -2.080 21.966 -16.219 1.00 81.40 25 A 1 ATOM 182 C CG . LYS A 1 25 ? -1.019 21.727 -17.298 1.00 75.62 25 A 1 ATOM 183 C CD . LYS A 1 25 ? -0.555 20.270 -17.280 1.00 72.84 25 A 1 ATOM 184 C CE . LYS A 1 25 ? 0.511 20.059 -18.353 1.00 65.74 25 A 1 ATOM 185 N NZ . LYS A 1 25 ? 1.157 18.731 -18.246 1.00 60.81 25 A 1 ATOM 186 N N . PHE A 1 26 ? -3.798 23.540 -14.090 1.00 85.52 26 A 1 ATOM 187 C CA . PHE A 1 26 ? -4.995 23.743 -13.286 1.00 84.49 26 A 1 ATOM 188 C C . PHE A 1 26 ? -5.601 25.129 -13.517 1.00 86.34 26 A 1 ATOM 189 O O . PHE A 1 26 ? -6.793 25.226 -13.780 1.00 86.52 26 A 1 ATOM 190 C CB . PHE A 1 26 ? -4.674 23.516 -11.807 1.00 83.20 26 A 1 ATOM 191 C CG . PHE A 1 26 ? -5.900 23.638 -10.924 1.00 80.25 26 A 1 ATOM 192 C CD1 . PHE A 1 26 ? -6.185 24.847 -10.266 1.00 76.44 26 A 1 ATOM 193 C CD2 . PHE A 1 26 ? -6.782 22.556 -10.799 1.00 74.05 26 A 1 ATOM 194 C CE1 . PHE A 1 26 ? -7.346 24.973 -9.487 1.00 71.68 26 A 1 ATOM 195 C CE2 . PHE A 1 26 ? -7.947 22.679 -10.022 1.00 71.97 26 A 1 ATOM 196 C CZ . PHE A 1 26 ? -8.230 23.887 -9.366 1.00 71.73 26 A 1 ATOM 197 N N . ARG A 1 27 ? -4.783 26.186 -13.509 1.00 85.50 27 A 1 ATOM 198 C CA . ARG A 1 27 ? -5.253 27.554 -13.776 1.00 84.82 27 A 1 ATOM 199 C C . ARG A 1 27 ? -5.858 27.706 -15.170 1.00 83.38 27 A 1 ATOM 200 O O . ARG A 1 27 ? -6.897 28.335 -15.300 1.00 83.46 27 A 1 ATOM 201 C CB . ARG A 1 27 ? -4.098 28.546 -13.614 1.00 85.48 27 A 1 ATOM 202 C CG . ARG A 1 27 ? -3.780 28.819 -12.141 1.00 74.75 27 A 1 ATOM 203 C CD . ARG A 1 27 ? -2.569 29.739 -12.061 1.00 72.10 27 A 1 ATOM 204 N NE . ARG A 1 27 ? -2.249 30.097 -10.671 1.00 62.79 27 A 1 ATOM 205 C CZ . ARG A 1 27 ? -1.264 30.890 -10.299 1.00 56.69 27 A 1 ATOM 206 N NH1 . ARG A 1 27 ? -0.459 31.440 -11.172 1.00 52.55 27 A 1 ATOM 207 N NH2 . ARG A 1 27 ? -1.072 31.151 -9.040 1.00 49.91 27 A 1 ATOM 208 N N . LYS A 1 28 ? -5.231 27.117 -16.190 1.00 86.62 28 A 1 ATOM 209 C CA . LYS A 1 28 ? -5.745 27.165 -17.568 1.00 84.66 28 A 1 ATOM 210 C C . LYS A 1 28 ? -7.084 26.445 -17.720 1.00 83.25 28 A 1 ATOM 211 O O . LYS A 1 28 ? -7.923 26.892 -18.492 1.00 80.80 28 A 1 ATOM 212 C CB . LYS A 1 28 ? -4.715 26.558 -18.525 1.00 83.52 28 A 1 ATOM 213 C CG . LYS A 1 28 ? -3.512 27.487 -18.733 1.00 74.53 28 A 1 ATOM 214 C CD . LYS A 1 28 ? -2.445 26.788 -19.576 1.00 71.23 28 A 1 ATOM 215 C CE . LYS A 1 28 ? -1.222 27.691 -19.703 1.00 62.14 28 A 1 ATOM 216 N NZ . LYS A 1 28 ? -0.143 27.051 -20.486 1.00 57.12 28 A 1 ATOM 217 N N . ASN A 1 29 ? -7.269 25.363 -16.992 1.00 84.50 29 A 1 ATOM 218 C CA . ASN A 1 29 ? -8.467 24.533 -17.077 1.00 82.14 29 A 1 ATOM 219 C C . ASN A 1 29 ? -9.469 24.817 -15.950 1.00 82.10 29 A 1 ATOM 220 O O . ASN A 1 29 ? -10.467 24.110 -15.844 1.00 79.25 29 A 1 ATOM 221 C CB . ASN A 1 29 ? -8.042 23.059 -17.124 1.00 78.88 29 A 1 ATOM 222 C CG . ASN A 1 29 ? -7.215 22.697 -18.349 1.00 73.32 29 A 1 ATOM 223 O OD1 . ASN A 1 29 ? -7.187 23.365 -19.370 1.00 67.78 29 A 1 ATOM 224 N ND2 . ASN A 1 29 ? -6.504 21.592 -18.281 1.00 66.91 29 A 1 ATOM 225 N N . TYR A 1 30 ? -9.215 25.831 -15.114 1.00 81.58 30 A 1 ATOM 226 C CA . TYR A 1 30 ? -10.027 26.113 -13.931 1.00 81.14 30 A 1 ATOM 227 C C . TYR A 1 30 ? -11.503 26.309 -14.280 1.00 80.83 30 A 1 ATOM 228 O O . TYR A 1 30 ? -12.357 25.631 -13.715 1.00 79.05 30 A 1 ATOM 229 C CB . TYR A 1 30 ? -9.469 27.340 -13.201 1.00 79.94 30 A 1 ATOM 230 C CG . TYR A 1 30 ? -10.233 27.662 -11.935 1.00 78.93 30 A 1 ATOM 231 C CD1 . TYR A 1 30 ? -11.220 28.666 -11.934 1.00 75.06 30 A 1 ATOM 232 C CD2 . TYR A 1 30 ? -9.982 26.931 -10.762 1.00 73.84 30 A 1 ATOM 233 C CE1 . TYR A 1 30 ? -11.947 28.944 -10.766 1.00 70.69 30 A 1 ATOM 234 C CE2 . TYR A 1 30 ? -10.708 27.200 -9.586 1.00 72.51 30 A 1 ATOM 235 C CZ . TYR A 1 30 ? -11.691 28.208 -9.593 1.00 69.97 30 A 1 ATOM 236 O OH . TYR A 1 30 ? -12.404 28.465 -8.453 1.00 69.25 30 A 1 ATOM 237 N N . ASP A 1 31 ? -11.786 27.139 -15.268 1.00 86.02 31 A 1 ATOM 238 C CA . ASP A 1 31 ? -13.164 27.418 -15.685 1.00 82.44 31 A 1 ATOM 239 C C . ASP A 1 31 ? -13.866 26.162 -16.217 1.00 80.74 31 A 1 ATOM 240 O O . ASP A 1 31 ? -15.032 25.913 -15.908 1.00 78.96 31 A 1 ATOM 241 C CB . ASP A 1 31 ? -13.165 28.526 -16.749 1.00 80.91 31 A 1 ATOM 242 C CG . ASP A 1 31 ? -12.618 29.859 -16.227 1.00 73.31 31 A 1 ATOM 243 O OD1 . ASP A 1 31 ? -12.790 30.134 -15.017 1.00 69.68 31 A 1 ATOM 244 O OD2 . ASP A 1 31 ? -12.002 30.581 -17.040 1.00 68.26 31 A 1 ATOM 245 N N . LEU A 1 32 ? -13.134 25.320 -16.960 1.00 83.40 32 A 1 ATOM 246 C CA . LEU A 1 32 ? -13.653 24.040 -17.443 1.00 80.90 32 A 1 ATOM 247 C C . LEU A 1 32 ? -13.939 23.083 -16.284 1.00 80.35 32 A 1 ATOM 248 O O . LEU A 1 32 ? -14.997 22.467 -16.257 1.00 78.70 32 A 1 ATOM 249 C CB . LEU A 1 32 ? -12.659 23.405 -18.430 1.00 80.62 32 A 1 ATOM 250 C CG . LEU A 1 32 ? -12.519 24.157 -19.767 1.00 73.55 32 A 1 ATOM 251 C CD1 . LEU A 1 32 ? -11.358 23.561 -20.565 1.00 69.69 32 A 1 ATOM 252 C CD2 . LEU A 1 32 ? -13.786 24.049 -20.618 1.00 68.42 32 A 1 ATOM 253 N N . ILE A 1 33 ? -13.030 22.988 -15.324 1.00 81.41 33 A 1 ATOM 254 C CA . ILE A 1 33 ? -13.207 22.133 -14.142 1.00 78.98 33 A 1 ATOM 255 C C . ILE A 1 33 ? -14.411 22.596 -13.314 1.00 78.23 33 A 1 ATOM 256 O O . ILE A 1 33 ? -15.207 21.766 -12.880 1.00 78.04 33 A 1 ATOM 257 C CB . ILE A 1 33 ? -11.910 22.098 -13.310 1.00 79.61 33 A 1 ATOM 258 C CG1 . ILE A 1 33 ? -10.784 21.384 -14.099 1.00 75.24 33 A 1 ATOM 259 C CG2 . ILE A 1 33 ? -12.133 21.388 -11.963 1.00 75.26 33 A 1 ATOM 260 C CD1 . ILE A 1 33 ? -9.382 21.610 -13.518 1.00 71.06 33 A 1 ATOM 261 N N . MET A 1 34 ? -14.564 23.909 -13.141 1.00 82.63 34 A 1 ATOM 262 C CA . MET A 1 34 ? -15.682 24.484 -12.385 1.00 80.96 34 A 1 ATOM 263 C C . MET A 1 34 ? -17.022 24.379 -13.123 1.00 80.09 34 A 1 ATOM 264 O O . MET A 1 34 ? -18.065 24.339 -12.472 1.00 78.71 34 A 1 ATOM 265 C CB . MET A 1 34 ? -15.374 25.949 -12.054 1.00 79.74 34 A 1 ATOM 266 C CG . MET A 1 34 ? -14.238 26.090 -11.029 1.00 74.24 34 A 1 ATOM 267 S SD . MET A 1 34 ? -14.511 25.296 -9.413 1.00 69.49 34 A 1 ATOM 268 C CE . MET A 1 34 ? -15.917 26.257 -8.790 1.00 59.85 34 A 1 ATOM 269 N N . SER A 1 35 ? -17.000 24.317 -14.449 1.00 80.68 35 A 1 ATOM 270 C CA . SER A 1 35 ? -18.209 24.124 -15.260 1.00 79.61 35 A 1 ATOM 271 C C . SER A 1 35 ? -18.709 22.679 -15.291 1.00 78.19 35 A 1 ATOM 272 O O . SER A 1 35 ? -19.857 22.439 -15.673 1.00 75.62 35 A 1 ATOM 273 C CB . SER A 1 35 ? -17.977 24.634 -16.684 1.00 79.01 35 A 1 ATOM 274 O OG . SER A 1 35 ? -17.138 23.772 -17.436 1.00 69.28 35 A 1 ATOM 275 N N . LEU A 1 36 ? -17.868 21.724 -14.909 1.00 78.17 36 A 1 ATOM 276 C CA . LEU A 1 36 ? -18.264 20.323 -14.845 1.00 75.70 36 A 1 ATOM 277 C C . LEU A 1 36 ? -19.273 20.112 -13.709 1.00 74.87 36 A 1 ATOM 278 O O . LEU A 1 36 ? -19.123 20.692 -12.633 1.00 72.48 36 A 1 ATOM 279 C CB . LEU A 1 36 ? -17.028 19.423 -14.680 1.00 74.07 36 A 1 ATOM 280 C CG . LEU A 1 36 ? -16.194 19.302 -15.973 1.00 67.67 36 A 1 ATOM 281 C CD1 . LEU A 1 36 ? -14.839 18.666 -15.666 1.00 65.03 36 A 1 ATOM 282 C CD2 . LEU A 1 36 ? -16.886 18.447 -17.035 1.00 63.25 36 A 1 ATOM 283 N N . PRO A 1 37 ? -20.283 19.266 -13.931 1.00 76.87 37 A 1 ATOM 284 C CA . PRO A 1 37 ? -21.241 18.956 -12.887 1.00 76.11 37 A 1 ATOM 285 C C . PRO A 1 37 ? -20.503 18.357 -11.692 1.00 76.59 37 A 1 ATOM 286 O O . PRO A 1 37 ? -19.703 17.425 -11.831 1.00 72.26 37 A 1 ATOM 287 C CB . PRO A 1 37 ? -22.256 17.996 -13.517 1.00 72.90 37 A 1 ATOM 288 C CG . PRO A 1 37 ? -21.485 17.355 -14.670 1.00 70.99 37 A 1 ATOM 289 C CD . PRO A 1 37 ? -20.534 18.463 -15.118 1.00 73.88 37 A 1 ATOM 290 N N . GLN A 1 38 ? -20.748 18.914 -10.521 1.00 75.25 38 A 1 ATOM 291 C CA . GLN A 1 38 ? -20.233 18.353 -9.285 1.00 76.78 38 A 1 ATOM 292 C C . GLN A 1 38 ? -20.868 16.985 -9.050 1.00 78.97 38 A 1 ATOM 293 O O . GLN A 1 38 ? -22.049 16.783 -9.331 1.00 74.71 38 A 1 ATOM 294 C CB . GLN A 1 38 ? -20.483 19.292 -8.100 1.00 70.44 38 A 1 ATOM 295 C CG . GLN A 1 38 ? -19.650 20.577 -8.213 1.00 61.85 38 A 1 ATOM 296 C CD . GLN A 1 38 ? -19.744 21.469 -6.973 1.00 57.39 38 A 1 ATOM 297 O OE1 . GLN A 1 38 ? -20.478 21.230 -6.028 1.00 53.54 38 A 1 ATOM 298 N NE2 . GLN A 1 38 ? -18.980 22.537 -6.926 1.00 49.36 38 A 1 ATOM 299 N N . GLU A 1 39 ? -20.076 16.066 -8.511 1.00 78.40 39 A 1 ATOM 300 C CA . GLU A 1 39 ? -20.591 14.763 -8.111 1.00 80.75 39 A 1 ATOM 301 C C . GLU A 1 39 ? -21.742 14.939 -7.126 1.00 82.87 39 A 1 ATOM 302 O O . GLU A 1 39 ? -21.633 15.681 -6.142 1.00 82.00 39 A 1 ATOM 303 C CB . GLU A 1 39 ? -19.487 13.902 -7.481 1.00 76.46 39 A 1 ATOM 304 C CG . GLU A 1 39 ? -18.446 13.479 -8.524 1.00 68.70 39 A 1 ATOM 305 C CD . GLU A 1 39 ? -17.310 12.628 -7.949 1.00 66.14 39 A 1 ATOM 306 O OE1 . GLU A 1 39 ? -16.402 12.265 -8.733 1.00 62.52 39 A 1 ATOM 307 O OE2 . GLU A 1 39 ? -17.322 12.260 -6.756 1.00 63.93 39 A 1 ATOM 308 N N . THR A 1 40 ? -22.833 14.249 -7.399 1.00 86.22 40 A 1 ATOM 309 C CA . THR A 1 40 ? -23.979 14.270 -6.501 1.00 87.70 40 A 1 ATOM 310 C C . THR A 1 40 ? -23.615 13.589 -5.184 1.00 89.87 40 A 1 ATOM 311 O O . THR A 1 40 ? -22.709 12.755 -5.093 1.00 88.11 40 A 1 ATOM 312 C CB . THR A 1 40 ? -25.223 13.635 -7.139 1.00 84.84 40 A 1 ATOM 313 O OG1 . THR A 1 40 ? -24.984 12.287 -7.423 1.00 74.03 40 A 1 ATOM 314 C CG2 . THR A 1 40 ? -25.651 14.342 -8.426 1.00 70.53 40 A 1 ATOM 315 N N . LYS A 1 41 ? -24.327 13.958 -4.130 1.00 88.86 41 A 1 ATOM 316 C CA . LYS A 1 41 ? -24.117 13.344 -2.816 1.00 91.05 41 A 1 ATOM 317 C C . LYS A 1 41 ? -24.289 11.821 -2.871 1.00 91.03 41 A 1 ATOM 318 O O . LYS A 1 41 ? -23.502 11.102 -2.264 1.00 90.66 41 A 1 ATOM 319 C CB . LYS A 1 41 ? -25.072 14.006 -1.816 1.00 90.35 41 A 1 ATOM 320 C CG . LYS A 1 41 ? -24.778 13.552 -0.387 1.00 82.39 41 A 1 ATOM 321 C CD . LYS A 1 41 ? -25.768 14.188 0.592 1.00 77.66 41 A 1 ATOM 322 C CE . LYS A 1 41 ? -25.529 13.571 1.964 1.00 68.30 41 A 1 ATOM 323 N NZ . LYS A 1 41 ? -26.614 13.892 2.913 1.00 60.62 41 A 1 ATOM 324 N N . GLU A 1 42 ? -25.246 11.352 -3.649 1.00 92.13 42 A 1 ATOM 325 C CA . GLU A 1 42 ? -25.542 9.931 -3.853 1.00 92.36 42 A 1 ATOM 326 C C . GLU A 1 42 ? -24.387 9.193 -4.535 1.00 92.45 42 A 1 ATOM 327 O O . GLU A 1 42 ? -23.983 8.123 -4.085 1.00 91.27 42 A 1 ATOM 328 C CB . GLU A 1 42 ? -26.817 9.802 -4.698 1.00 92.77 42 A 1 ATOM 329 C CG . GLU A 1 42 ? -28.048 10.374 -3.978 1.00 84.01 42 A 1 ATOM 330 C CD . GLU A 1 42 ? -29.327 10.340 -4.822 1.00 74.40 42 A 1 ATOM 331 O OE1 . GLU A 1 42 ? -30.363 10.787 -4.285 1.00 68.68 42 A 1 ATOM 332 O OE2 . GLU A 1 42 ? -29.265 9.906 -5.991 1.00 69.60 42 A 1 ATOM 333 N N . GLU A 1 43 ? -23.785 9.784 -5.569 1.00 94.21 43 A 1 ATOM 334 C CA . GLU A 1 43 ? -22.617 9.193 -6.239 1.00 92.38 43 A 1 ATOM 335 C C . GLU A 1 43 ? -21.413 9.095 -5.303 1.00 91.89 43 A 1 ATOM 336 O O . GLU A 1 43 ? -20.678 8.102 -5.314 1.00 90.97 43 A 1 ATOM 337 C CB . GLU A 1 43 ? -22.225 10.042 -7.450 1.00 90.22 43 A 1 ATOM 338 C CG . GLU A 1 43 ? -23.200 9.896 -8.622 1.00 81.69 43 A 1 ATOM 339 C CD . GLU A 1 43 ? -22.882 10.884 -9.754 1.00 75.68 43 A 1 ATOM 340 O OE1 . GLU A 1 43 ? -23.171 10.547 -10.917 1.00 69.50 43 A 1 ATOM 341 O OE2 . GLU A 1 43 ? -22.364 11.981 -9.438 1.00 70.15 43 A 1 ATOM 342 N N . LYS A 1 44 ? -21.222 10.107 -4.468 1.00 91.01 44 A 1 ATOM 343 C CA . LYS A 1 44 ? -20.157 10.105 -3.467 1.00 90.27 44 A 1 ATOM 344 C C . LYS A 1 44 ? -20.379 9.023 -2.408 1.00 90.11 44 A 1 ATOM 345 O O . LYS A 1 44 ? -19.431 8.323 -2.050 1.00 89.77 44 A 1 ATOM 346 C CB . LYS A 1 44 ? -20.053 11.506 -2.859 1.00 88.73 44 A 1 ATOM 347 C CG . LYS A 1 44 ? -18.831 11.629 -1.956 1.00 79.89 44 A 1 ATOM 348 C CD . LYS A 1 44 ? -18.724 13.055 -1.418 1.00 74.90 44 A 1 ATOM 349 C CE . LYS A 1 44 ? -17.491 13.171 -0.524 1.00 65.49 44 A 1 ATOM 350 N NZ . LYS A 1 44 ? -17.343 14.551 -0.021 1.00 59.44 44 A 1 ATOM 351 N N . GLU A 1 45 ? -21.595 8.873 -1.928 1.00 91.98 45 A 1 ATOM 352 C CA . GLU A 1 45 ? -21.974 7.817 -0.984 1.00 92.49 45 A 1 ATOM 353 C C . GLU A 1 45 ? -21.800 6.427 -1.607 1.00 91.96 45 A 1 ATOM 354 O O . GLU A 1 45 ? -21.192 5.554 -0.985 1.00 92.34 45 A 1 ATOM 355 C CB . GLU A 1 45 ? -23.414 8.036 -0.498 1.00 93.99 45 A 1 ATOM 356 C CG . GLU A 1 45 ? -23.481 9.190 0.521 1.00 86.49 45 A 1 ATOM 357 C CD . GLU A 1 45 ? -24.903 9.542 0.994 1.00 79.40 45 A 1 ATOM 358 O OE1 . GLU A 1 45 ? -25.017 10.529 1.769 1.00 74.30 45 A 1 ATOM 359 O OE2 . GLU A 1 45 ? -25.864 8.856 0.602 1.00 76.25 45 A 1 ATOM 360 N N . PHE A 1 46 ? -22.215 6.246 -2.855 1.00 93.39 46 A 1 ATOM 361 C CA . PHE A 1 46 ? -22.033 4.990 -3.577 1.00 93.66 46 A 1 ATOM 362 C C . PHE A 1 46 ? -20.553 4.604 -3.707 1.00 93.85 46 A 1 ATOM 363 O O . PHE A 1 46 ? -20.172 3.478 -3.380 1.00 91.87 46 A 1 ATOM 364 C CB . PHE A 1 46 ? -22.704 5.107 -4.947 1.00 92.87 46 A 1 ATOM 365 C CG . PHE A 1 46 ? -22.610 3.836 -5.762 1.00 90.62 46 A 1 ATOM 366 C CD1 . PHE A 1 46 ? -21.745 3.761 -6.869 1.00 86.92 46 A 1 ATOM 367 C CD2 . PHE A 1 46 ? -23.373 2.718 -5.400 1.00 86.73 46 A 1 ATOM 368 C CE1 . PHE A 1 46 ? -21.657 2.579 -7.617 1.00 84.65 46 A 1 ATOM 369 C CE2 . PHE A 1 46 ? -23.284 1.530 -6.143 1.00 86.63 46 A 1 ATOM 370 C CZ . PHE A 1 46 ? -22.428 1.461 -7.254 1.00 83.39 46 A 1 ATOM 371 N N . ARG A 1 47 ? -19.684 5.548 -4.110 1.00 93.99 47 A 1 ATOM 372 C CA . ARG A 1 47 ? -18.234 5.296 -4.160 1.00 92.06 47 A 1 ATOM 373 C C . ARG A 1 47 ? -17.645 5.001 -2.789 1.00 91.92 47 A 1 ATOM 374 O O . ARG A 1 47 ? -16.745 4.165 -2.678 1.00 90.94 47 A 1 ATOM 375 C CB . ARG A 1 47 ? -17.499 6.488 -4.777 1.00 89.44 47 A 1 ATOM 376 C CG . ARG A 1 47 ? -17.749 6.594 -6.281 1.00 79.27 47 A 1 ATOM 377 C CD . ARG A 1 47 ? -16.816 7.664 -6.822 1.00 77.11 47 A 1 ATOM 378 N NE . ARG A 1 47 ? -17.237 8.151 -8.138 1.00 66.16 47 A 1 ATOM 379 C CZ . ARG A 1 47 ? -16.767 9.252 -8.677 1.00 61.94 47 A 1 ATOM 380 N NH1 . ARG A 1 47 ? -15.712 9.856 -8.200 1.00 58.20 47 A 1 ATOM 381 N NH2 . ARG A 1 47 ? -17.369 9.813 -9.681 1.00 52.74 47 A 1 ATOM 382 N N . HIS A 1 48 ? -18.143 5.664 -1.763 1.00 93.09 48 A 1 ATOM 383 C CA . HIS A 1 48 ? -17.708 5.394 -0.398 1.00 94.20 48 A 1 ATOM 384 C C . HIS A 1 48 ? -18.080 3.973 0.043 1.00 94.69 48 A 1 ATOM 385 O O . HIS A 1 48 ? -17.237 3.280 0.608 1.00 93.52 48 A 1 ATOM 386 C CB . HIS A 1 48 ? -18.285 6.450 0.544 1.00 93.58 48 A 1 ATOM 387 C CG . HIS A 1 48 ? -17.716 6.327 1.931 1.00 92.94 48 A 1 ATOM 388 N ND1 . HIS A 1 48 ? -16.385 6.465 2.264 1.00 80.47 48 A 1 ATOM 389 C CD2 . HIS A 1 48 ? -18.383 6.038 3.091 1.00 82.25 48 A 1 ATOM 390 C CE1 . HIS A 1 48 ? -16.265 6.270 3.584 1.00 84.07 48 A 1 ATOM 391 N NE2 . HIS A 1 48 ? -17.457 6.008 4.129 1.00 86.17 48 A 1 ATOM 392 N N . CYS A 1 49 ? -19.287 3.500 -0.287 1.00 93.51 49 A 1 ATOM 393 C CA . CYS A 1 49 ? -19.709 2.122 -0.028 1.00 94.28 49 A 1 ATOM 394 C C . CYS A 1 49 ? -18.825 1.099 -0.752 1.00 93.90 49 A 1 ATOM 395 O O . CYS A 1 49 ? -18.407 0.123 -0.137 1.00 92.07 49 A 1 ATOM 396 C CB . CYS A 1 49 ? -21.179 1.950 -0.435 1.00 93.80 49 A 1 ATOM 397 S SG . CYS A 1 49 ? -22.253 2.876 0.703 1.00 83.61 49 A 1 ATOM 398 N N . ILE A 1 50 ? -18.488 1.339 -2.022 1.00 93.59 50 A 1 ATOM 399 C CA . ILE A 1 50 ? -17.560 0.473 -2.769 1.00 92.33 50 A 1 ATOM 400 C C . ILE A 1 50 ? -16.196 0.442 -2.079 1.00 92.36 50 A 1 ATOM 401 O O . ILE A 1 50 ? -15.643 -0.633 -1.843 1.00 92.13 50 A 1 ATOM 402 C CB . ILE A 1 50 ? -17.436 0.928 -4.240 1.00 92.71 50 A 1 ATOM 403 C CG1 . ILE A 1 50 ? -18.776 0.703 -4.980 1.00 88.73 50 A 1 ATOM 404 C CG2 . ILE A 1 50 ? -16.306 0.171 -4.962 1.00 86.79 50 A 1 ATOM 405 C CD1 . ILE A 1 50 ? -18.834 1.349 -6.364 1.00 80.41 50 A 1 ATOM 406 N N . TRP A 1 51 ? -15.664 1.609 -1.706 1.00 95.60 51 A 1 ATOM 407 C CA . TRP A 1 51 ? -14.374 1.691 -1.028 1.00 94.73 51 A 1 ATOM 408 C C . TRP A 1 51 ? -14.372 0.948 0.319 1.00 95.03 51 A 1 ATOM 409 O O . TRP A 1 51 ? -13.392 0.268 0.640 1.00 94.64 51 A 1 ATOM 410 C CB . TRP A 1 51 ? -13.999 3.163 -0.844 1.00 94.59 51 A 1 ATOM 411 C CG . TRP A 1 51 ? -12.696 3.358 -0.142 1.00 91.13 51 A 1 ATOM 412 C CD1 . TRP A 1 51 ? -11.479 3.343 -0.734 1.00 82.25 51 A 1 ATOM 413 C CD2 . TRP A 1 51 ? -12.448 3.541 1.287 1.00 84.62 51 A 1 ATOM 414 N NE1 . TRP A 1 51 ? -10.494 3.506 0.227 1.00 77.77 51 A 1 ATOM 415 C CE2 . TRP A 1 51 ? -11.043 3.629 1.487 1.00 83.41 51 A 1 ATOM 416 C CE3 . TRP A 1 51 ? -13.279 3.635 2.425 1.00 75.37 51 A 1 ATOM 417 C CZ2 . TRP A 1 51 ? -10.476 3.809 2.765 1.00 79.45 51 A 1 ATOM 418 C CZ3 . TRP A 1 51 ? -12.720 3.814 3.706 1.00 72.16 51 A 1 ATOM 419 C CH2 . TRP A 1 51 ? -11.329 3.899 3.876 1.00 72.47 51 A 1 ATOM 420 N N . LEU A 1 52 ? -15.453 1.032 1.079 1.00 94.70 52 A 1 ATOM 421 C CA . LEU A 1 52 ? -15.602 0.287 2.330 1.00 94.37 52 A 1 ATOM 422 C C . LEU A 1 52 ? -15.627 -1.224 2.089 1.00 94.72 52 A 1 ATOM 423 O O . LEU A 1 52 ? -14.914 -1.946 2.782 1.00 95.12 52 A 1 ATOM 424 C CB . LEU A 1 52 ? -16.874 0.732 3.066 1.00 94.92 52 A 1 ATOM 425 C CG . LEU A 1 52 ? -16.782 2.101 3.762 1.00 85.55 52 A 1 ATOM 426 C CD1 . LEU A 1 52 ? -18.157 2.459 4.326 1.00 80.10 52 A 1 ATOM 427 C CD2 . LEU A 1 52 ? -15.776 2.110 4.912 1.00 81.04 52 A 1 ATOM 428 N N . ALA A 1 53 ? -16.373 -1.691 1.087 1.00 94.96 53 A 1 ATOM 429 C CA . ALA A 1 53 ? -16.428 -3.108 0.733 1.00 94.18 53 A 1 ATOM 430 C C . ALA A 1 53 ? -15.050 -3.644 0.312 1.00 94.01 53 A 1 ATOM 431 O O . ALA A 1 53 ? -14.597 -4.678 0.805 1.00 93.35 53 A 1 ATOM 432 C CB . ALA A 1 53 ? -17.475 -3.292 -0.376 1.00 94.77 53 A 1 ATOM 433 N N . GLU A 1 54 ? -14.323 -2.904 -0.527 1.00 95.66 54 A 1 ATOM 434 C CA . GLU A 1 54 ? -12.954 -3.270 -0.908 1.00 94.83 54 A 1 ATOM 435 C C . GLU A 1 54 ? -11.987 -3.267 0.281 1.00 94.29 54 A 1 ATOM 436 O O . GLU A 1 54 ? -11.045 -4.065 0.337 1.00 93.42 54 A 1 ATOM 437 C CB . GLU A 1 54 ? -12.402 -2.263 -1.912 1.00 94.71 54 A 1 ATOM 438 C CG . GLU A 1 54 ? -12.980 -2.322 -3.325 1.00 84.72 54 A 1 ATOM 439 C CD . GLU A 1 54 ? -12.275 -1.312 -4.243 1.00 77.83 54 A 1 ATOM 440 O OE1 . GLU A 1 54 ? -12.670 -1.222 -5.426 1.00 73.73 54 A 1 ATOM 441 O OE2 . GLU A 1 54 ? -11.295 -0.652 -3.776 1.00 75.27 54 A 1 ATOM 442 N N . LYS A 1 55 ? -12.164 -2.336 1.210 1.00 94.93 55 A 1 ATOM 443 C CA . LYS A 1 55 ? -11.351 -2.277 2.423 1.00 93.91 55 A 1 ATOM 444 C C . LYS A 1 55 ? -11.589 -3.507 3.295 1.00 92.72 55 A 1 ATOM 445 O O . LYS A 1 55 ? -10.617 -4.133 3.711 1.00 93.13 55 A 1 ATOM 446 C CB . LYS A 1 55 ? -11.630 -0.973 3.177 1.00 94.19 55 A 1 ATOM 447 C CG . LYS A 1 55 ? -10.721 -0.846 4.403 1.00 91.90 55 A 1 ATOM 448 C CD . LYS A 1 55 ? -11.083 0.378 5.244 1.00 84.90 55 A 1 ATOM 449 C CE . LYS A 1 55 ? -10.283 0.282 6.539 1.00 78.64 55 A 1 ATOM 450 N NZ . LYS A 1 55 ? -10.756 1.225 7.570 1.00 70.69 55 A 1 ATOM 451 N N . GLU A 1 56 ? -12.837 -3.874 3.513 1.00 95.90 56 A 1 ATOM 452 C CA . GLU A 1 56 ? -13.207 -5.059 4.288 1.00 94.63 56 A 1 ATOM 453 C C . GLU A 1 56 ? -12.672 -6.341 3.639 1.00 93.92 56 A 1 ATOM 454 O O . GLU A 1 56 ? -12.090 -7.193 4.317 1.00 93.53 56 A 1 ATOM 455 C CB . GLU A 1 56 ? -14.734 -5.095 4.428 1.00 95.04 56 A 1 ATOM 456 C CG . GLU A 1 56 ? -15.189 -6.211 5.380 1.00 83.74 56 A 1 ATOM 457 C CD . GLU A 1 56 ? -16.712 -6.268 5.579 1.00 76.52 56 A 1 ATOM 458 O OE1 . GLU A 1 56 ? -17.138 -7.152 6.359 1.00 72.55 56 A 1 ATOM 459 O OE2 . GLU A 1 56 ? -17.441 -5.461 4.966 1.00 73.72 56 A 1 ATOM 460 N N . GLU A 1 57 ? -12.772 -6.455 2.321 1.00 95.05 57 A 1 ATOM 461 C CA . GLU A 1 57 ? -12.200 -7.579 1.582 1.00 93.26 57 A 1 ATOM 462 C C . GLU A 1 57 ? -10.675 -7.647 1.740 1.00 92.35 57 A 1 ATOM 463 O O . GLU A 1 57 ? -10.128 -8.714 2.037 1.00 91.16 57 A 1 ATOM 464 C CB . GLU A 1 57 ? -12.618 -7.493 0.112 1.00 92.48 57 A 1 ATOM 465 C CG . GLU A 1 57 ? -12.183 -8.753 -0.647 1.00 79.02 57 A 1 ATOM 466 C CD . GLU A 1 57 ? -12.654 -8.794 -2.106 1.00 71.69 57 A 1 ATOM 467 O OE1 . GLU A 1 57 ? -12.581 -9.909 -2.682 1.00 64.49 57 A 1 ATOM 468 O OE2 . GLU A 1 57 ? -13.058 -7.744 -2.639 1.00 65.80 57 A 1 ATOM 469 N N . ARG A 1 58 ? -9.976 -6.515 1.627 1.00 95.51 58 A 1 ATOM 470 C CA . ARG A 1 58 ? -8.524 -6.447 1.869 1.00 93.53 58 A 1 ATOM 471 C C . ARG A 1 58 ? -8.157 -6.852 3.295 1.00 92.96 58 A 1 ATOM 472 O O . ARG A 1 58 ? -7.191 -7.593 3.480 1.00 91.42 58 A 1 ATOM 473 C CB . ARG A 1 58 ? -7.989 -5.039 1.561 1.00 91.86 58 A 1 ATOM 474 C CG . ARG A 1 58 ? -7.825 -4.797 0.047 1.00 78.53 58 A 1 ATOM 475 C CD . ARG A 1 58 ? -7.189 -3.432 -0.243 1.00 74.44 58 A 1 ATOM 476 N NE . ARG A 1 58 ? -8.096 -2.304 0.077 1.00 65.04 58 A 1 ATOM 477 C CZ . ARG A 1 58 ? -8.596 -1.409 -0.773 1.00 59.57 58 A 1 ATOM 478 N NH1 . ARG A 1 58 ? -8.278 -1.383 -2.034 1.00 56.86 58 A 1 ATOM 479 N NH2 . ARG A 1 58 ? -9.444 -0.513 -0.363 1.00 52.35 58 A 1 ATOM 480 N N . GLU A 1 59 ? -8.913 -6.405 4.278 1.00 93.43 59 A 1 ATOM 481 C CA . GLU A 1 59 ? -8.697 -6.795 5.674 1.00 92.10 59 A 1 ATOM 482 C C . GLU A 1 59 ? -8.925 -8.294 5.885 1.00 91.71 59 A 1 ATOM 483 O O . GLU A 1 59 ? -8.115 -8.958 6.535 1.00 90.88 59 A 1 ATOM 484 C CB . GLU A 1 59 ? -9.593 -5.970 6.610 1.00 91.26 59 A 1 ATOM 485 C CG . GLU A 1 59 ? -9.049 -4.543 6.791 1.00 79.98 59 A 1 ATOM 486 C CD . GLU A 1 59 ? -9.901 -3.659 7.721 1.00 73.56 59 A 1 ATOM 487 O OE1 . GLU A 1 59 ? -9.569 -2.448 7.825 1.00 69.34 59 A 1 ATOM 488 O OE2 . GLU A 1 59 ? -10.863 -4.166 8.328 1.00 69.57 59 A 1 ATOM 489 N N . ARG A 1 60 ? -9.953 -8.859 5.266 1.00 93.07 60 A 1 ATOM 490 C CA . ARG A 1 60 ? -10.215 -10.301 5.306 1.00 90.78 60 A 1 ATOM 491 C C . ARG A 1 60 ? -9.092 -11.109 4.662 1.00 89.36 60 A 1 ATOM 492 O O . ARG A 1 60 ? -8.652 -12.112 5.226 1.00 87.31 60 A 1 ATOM 493 C CB . ARG A 1 60 ? -11.567 -10.563 4.631 1.00 89.79 60 A 1 ATOM 494 C CG . ARG A 1 60 ? -12.005 -12.017 4.797 1.00 77.13 60 A 1 ATOM 495 C CD . ARG A 1 60 ? -13.355 -12.215 4.125 1.00 74.96 60 A 1 ATOM 496 N NE . ARG A 1 60 ? -13.828 -13.603 4.296 1.00 66.16 60 A 1 ATOM 497 C CZ . ARG A 1 60 ? -14.957 -14.083 3.812 1.00 61.31 60 A 1 ATOM 498 N NH1 . ARG A 1 60 ? -15.770 -13.349 3.100 1.00 57.88 60 A 1 ATOM 499 N NH2 . ARG A 1 60 ? -15.289 -15.320 4.039 1.00 53.87 60 A 1 ATOM 500 N N . ILE A 1 61 ? -8.602 -10.677 3.507 1.00 90.36 61 A 1 ATOM 501 C CA . ILE A 1 61 ? -7.440 -11.290 2.850 1.00 87.95 61 A 1 ATOM 502 C C . ILE A 1 61 ? -6.211 -11.182 3.754 1.00 87.15 61 A 1 ATOM 503 O O . ILE A 1 61 ? -5.503 -12.172 3.940 1.00 85.85 61 A 1 ATOM 504 C CB . ILE A 1 61 ? -7.189 -10.657 1.464 1.00 87.29 61 A 1 ATOM 505 C CG1 . ILE A 1 61 ? -8.332 -11.029 0.489 1.00 82.16 61 A 1 ATOM 506 C CG2 . ILE A 1 61 ? -5.838 -11.123 0.880 1.00 82.07 61 A 1 ATOM 507 C CD1 . ILE A 1 61 ? -8.354 -10.168 -0.777 1.00 77.08 61 A 1 ATOM 508 N N . TYR A 1 62 ? -5.975 -10.019 4.353 1.00 89.92 62 A 1 ATOM 509 C CA . TYR A 1 62 ? -4.852 -9.826 5.268 1.00 87.68 62 A 1 ATOM 510 C C . TYR A 1 62 ? -4.933 -10.760 6.482 1.00 87.71 62 A 1 ATOM 511 O O . TYR A 1 62 ? -3.960 -11.450 6.789 1.00 86.55 62 A 1 ATOM 512 C CB . TYR A 1 62 ? -4.787 -8.350 5.678 1.00 85.61 62 A 1 ATOM 513 C CG . TYR A 1 62 ? -3.589 -8.016 6.537 1.00 76.26 62 A 1 ATOM 514 C CD1 . TYR A 1 62 ? -3.745 -7.780 7.917 1.00 73.30 62 A 1 ATOM 515 C CD2 . TYR A 1 62 ? -2.306 -7.943 5.954 1.00 70.32 62 A 1 ATOM 516 C CE1 . TYR A 1 62 ? -2.625 -7.474 8.708 1.00 66.35 62 A 1 ATOM 517 C CE2 . TYR A 1 62 ? -1.181 -7.644 6.745 1.00 67.96 62 A 1 ATOM 518 C CZ . TYR A 1 62 ? -1.339 -7.409 8.126 1.00 63.41 62 A 1 ATOM 519 O OH . TYR A 1 62 ? -0.251 -7.133 8.900 1.00 64.55 62 A 1 ATOM 520 N N . GLN A 1 63 ? -6.096 -10.871 7.106 1.00 86.59 63 A 1 ATOM 521 C CA . GLN A 1 63 ? -6.302 -11.782 8.237 1.00 84.74 63 A 1 ATOM 522 C C . GLN A 1 63 ? -6.107 -13.255 7.858 1.00 83.77 63 A 1 ATOM 523 O O . GLN A 1 63 ? -5.561 -14.030 8.642 1.00 81.56 63 A 1 ATOM 524 C CB . GLN A 1 63 ? -7.717 -11.597 8.797 1.00 81.88 63 A 1 ATOM 525 C CG . GLN A 1 63 ? -7.887 -10.283 9.579 1.00 71.62 63 A 1 ATOM 526 C CD . GLN A 1 63 ? -9.324 -10.092 10.065 1.00 69.10 63 A 1 ATOM 527 O OE1 . GLN A 1 63 ? -10.158 -10.983 10.015 1.00 63.77 63 A 1 ATOM 528 N NE2 . GLN A 1 63 ? -9.658 -8.926 10.572 1.00 60.52 63 A 1 ATOM 529 N N . THR A 1 64 ? -6.532 -13.647 6.660 1.00 83.27 64 A 1 ATOM 530 C CA . THR A 1 64 ? -6.342 -15.027 6.174 1.00 80.73 64 A 1 ATOM 531 C C . THR A 1 64 ? -4.921 -15.296 5.666 1.00 80.20 64 A 1 ATOM 532 O O . THR A 1 64 ? -4.439 -16.425 5.764 1.00 76.24 64 A 1 ATOM 533 C CB . THR A 1 64 ? -7.364 -15.390 5.091 1.00 78.73 64 A 1 ATOM 534 O OG1 . THR A 1 64 ? -7.369 -14.458 4.038 1.00 71.38 64 A 1 ATOM 535 C CG2 . THR A 1 64 ? -8.790 -15.459 5.642 1.00 70.63 64 A 1 ATOM 536 N N . ALA A 1 65 ? -4.239 -14.278 5.157 1.00 76.29 65 A 1 ATOM 537 C CA . ALA A 1 65 ? -2.847 -14.352 4.718 1.00 74.59 65 A 1 ATOM 538 C C . ALA A 1 65 ? -1.862 -14.382 5.892 1.00 73.79 65 A 1 ATOM 539 O O . ALA A 1 65 ? -0.814 -15.029 5.785 1.00 72.71 65 A 1 ATOM 540 C CB . ALA A 1 65 ? -2.549 -13.169 3.787 1.00 73.69 65 A 1 ATOM 541 N N . ILE A 1 66 ? -2.208 -13.747 7.003 1.00 73.28 66 A 1 ATOM 542 C CA . ILE A 1 66 ? -1.534 -13.998 8.277 1.00 72.15 66 A 1 ATOM 543 C C . ILE A 1 66 ? -1.925 -15.411 8.703 1.00 70.11 66 A 1 ATOM 544 O O . ILE A 1 66 ? -2.827 -15.632 9.504 1.00 67.81 66 A 1 ATOM 545 C CB . ILE A 1 66 ? -1.865 -12.940 9.358 1.00 70.10 66 A 1 ATOM 546 C CG1 . ILE A 1 66 ? -1.403 -11.532 8.924 1.00 63.60 66 A 1 ATOM 547 C CG2 . ILE A 1 66 ? -1.160 -13.288 10.693 1.00 63.72 66 A 1 ATOM 548 C CD1 . ILE A 1 66 ? -2.040 -10.423 9.769 1.00 58.77 66 A 1 ATOM 549 N N . ARG A 1 67 ? -1.255 -16.402 8.148 1.00 66.17 67 A 1 ATOM 550 C CA . ARG A 1 67 ? -1.270 -17.741 8.725 1.00 65.98 67 A 1 ATOM 551 C C . ARG A 1 67 ? -0.909 -17.550 10.193 1.00 64.89 67 A 1 ATOM 552 O O . ARG A 1 67 ? 0.144 -16.959 10.450 1.00 63.62 67 A 1 ATOM 553 C CB . ARG A 1 67 ? -0.261 -18.668 8.038 1.00 62.70 67 A 1 ATOM 554 C CG . ARG A 1 67 ? -0.691 -19.013 6.611 1.00 56.80 67 A 1 ATOM 555 C CD . ARG A 1 67 ? 0.289 -20.008 5.991 1.00 55.66 67 A 1 ATOM 556 N NE . ARG A 1 67 ? -0.110 -20.353 4.616 1.00 50.66 67 A 1 ATOM 557 C CZ . ARG A 1 67 ? 0.507 -21.199 3.804 1.00 46.45 67 A 1 ATOM 558 N NH1 . ARG A 1 67 ? 1.583 -21.845 4.175 1.00 44.33 67 A 1 ATOM 559 N NH2 . ARG A 1 67 ? 0.050 -21.407 2.602 1.00 41.16 67 A 1 ATOM 560 N N . PRO A 1 68 ? -1.765 -17.987 11.128 1.00 62.72 68 A 1 ATOM 561 C CA . PRO A 1 68 ? -1.366 -17.948 12.518 1.00 62.60 68 A 1 ATOM 562 C C . PRO A 1 68 ? -0.004 -18.630 12.558 1.00 63.11 68 A 1 ATOM 563 O O . PRO A 1 68 ? 0.135 -19.740 12.034 1.00 61.47 68 A 1 ATOM 564 C CB . PRO A 1 68 ? -2.459 -18.699 13.297 1.00 60.36 68 A 1 ATOM 565 C CG . PRO A 1 68 ? -3.136 -19.569 12.239 1.00 57.90 68 A 1 ATOM 566 C CD . PRO A 1 68 ? -2.976 -18.763 10.953 1.00 60.76 68 A 1 ATOM 567 N N . PHE A 1 69 ? 0.998 -17.925 13.083 1.00 60.47 69 A 1 ATOM 568 C CA . PHE A 1 69 ? 2.276 -18.555 13.370 1.00 61.64 69 A 1 ATOM 569 C C . PHE A 1 69 ? 1.905 -19.854 14.070 1.00 61.70 69 A 1 ATOM 570 O O . PHE A 1 69 ? 1.297 -19.817 15.142 1.00 61.15 69 A 1 ATOM 571 C CB . PHE A 1 69 ? 3.136 -17.662 14.275 1.00 59.24 69 A 1 ATOM 572 C CG . PHE A 1 69 ? 3.944 -16.620 13.532 1.00 55.72 69 A 1 ATOM 573 C CD1 . PHE A 1 69 ? 5.234 -16.933 13.069 1.00 54.69 69 A 1 ATOM 574 C CD2 . PHE A 1 69 ? 3.423 -15.333 13.306 1.00 52.01 69 A 1 ATOM 575 C CE1 . PHE A 1 69 ? 6.002 -15.971 12.392 1.00 48.92 69 A 1 ATOM 576 C CE2 . PHE A 1 69 ? 4.189 -14.368 12.624 1.00 49.37 69 A 1 ATOM 577 C CZ . PHE A 1 69 ? 5.481 -14.686 12.170 1.00 46.68 69 A 1 ATOM 578 N N . ARG A 1 70 ? 2.128 -20.983 13.406 1.00 57.20 70 A 1 ATOM 579 C CA . ARG A 1 70 ? 1.970 -22.270 14.061 1.00 58.88 70 A 1 ATOM 580 C C . ARG A 1 70 ? 2.871 -22.126 15.268 1.00 58.10 70 A 1 ATOM 581 O O . ARG A 1 70 ? 4.086 -22.063 15.089 1.00 58.06 70 A 1 ATOM 582 C CB . ARG A 1 70 ? 2.406 -23.443 13.164 1.00 57.03 70 A 1 ATOM 583 C CG . ARG A 1 70 ? 1.360 -23.815 12.104 1.00 51.95 70 A 1 ATOM 584 C CD . ARG A 1 70 ? 1.840 -25.037 11.312 1.00 51.52 70 A 1 ATOM 585 N NE . ARG A 1 70 ? 0.823 -25.502 10.341 1.00 46.33 70 A 1 ATOM 586 C CZ . ARG A 1 70 ? 0.932 -26.547 9.533 1.00 43.03 70 A 1 ATOM 587 N NH1 . ARG A 1 70 ? 2.007 -27.288 9.505 1.00 41.13 70 A 1 ATOM 588 N NH2 . ARG A 1 70 ? -0.048 -26.872 8.738 1.00 37.85 70 A 1 ATOM 589 N N . LYS A 1 71 ? 2.272 -21.948 16.451 1.00 59.20 71 A 1 ATOM 590 C CA . LYS A 1 71 ? 3.021 -22.100 17.687 1.00 60.52 71 A 1 ATOM 591 C C . LYS A 1 71 ? 3.650 -23.467 17.536 1.00 58.72 71 A 1 ATOM 592 O O . LYS A 1 71 ? 2.940 -24.472 17.576 1.00 56.73 71 A 1 ATOM 593 C CB . LYS A 1 71 ? 2.121 -22.022 18.933 1.00 59.04 71 A 1 ATOM 594 C CG . LYS A 1 71 ? 1.928 -20.588 19.450 1.00 54.20 71 A 1 ATOM 595 C CD . LYS A 1 71 ? 1.093 -20.591 20.742 1.00 52.47 71 A 1 ATOM 596 C CE . LYS A 1 71 ? 0.985 -19.178 21.335 1.00 47.84 71 A 1 ATOM 597 N NZ . LYS A 1 71 ? 0.175 -19.157 22.575 1.00 43.86 71 A 1 ATOM 598 N N . ALA A 1 72 ? 4.908 -23.487 17.216 1.00 57.79 72 A 1 ATOM 599 C CA . ALA A 1 72 ? 5.656 -24.705 17.220 1.00 57.89 72 A 1 ATOM 600 C C . ALA A 1 72 ? 5.673 -25.108 18.688 1.00 56.77 72 A 1 ATOM 601 O O . ALA A 1 72 ? 6.422 -24.571 19.494 1.00 54.04 72 A 1 ATOM 602 C CB . ALA A 1 72 ? 7.020 -24.435 16.598 1.00 54.99 72 A 1 ATOM 603 N N . THR A 1 73 ? 4.715 -25.974 19.044 1.00 55.52 73 A 1 ATOM 604 C CA . THR A 1 73 ? 4.713 -26.655 20.322 1.00 57.01 73 A 1 ATOM 605 C C . THR A 1 73 ? 5.855 -27.660 20.268 1.00 56.91 73 A 1 ATOM 606 O O . THR A 1 73 ? 5.649 -28.855 20.125 1.00 53.83 73 A 1 ATOM 607 C CB . THR A 1 73 ? 3.347 -27.310 20.612 1.00 55.09 73 A 1 ATOM 608 O OG1 . THR A 1 73 ? 2.811 -27.881 19.440 1.00 48.62 73 A 1 ATOM 609 C CG2 . THR A 1 73 ? 2.331 -26.289 21.117 1.00 49.21 73 A 1 ATOM 610 N N . TYR A 1 74 ? 7.075 -27.156 20.338 1.00 55.37 74 A 1 ATOM 611 C CA . TYR A 1 74 ? 8.230 -27.975 20.645 1.00 57.21 74 A 1 ATOM 612 C C . TYR A 1 74 ? 8.136 -28.340 22.126 1.00 56.98 74 A 1 ATOM 613 O O . TYR A 1 74 ? 8.808 -27.773 22.975 1.00 55.60 74 A 1 ATOM 614 C CB . TYR A 1 74 ? 9.534 -27.236 20.303 1.00 55.65 74 A 1 ATOM 615 C CG . TYR A 1 74 ? 9.705 -26.884 18.840 1.00 50.83 74 A 1 ATOM 616 C CD1 . TYR A 1 74 ? 9.848 -27.894 17.871 1.00 49.20 74 A 1 ATOM 617 C CD2 . TYR A 1 74 ? 9.747 -25.539 18.437 1.00 46.76 74 A 1 ATOM 618 C CE1 . TYR A 1 74 ? 10.022 -27.565 16.515 1.00 43.37 74 A 1 ATOM 619 C CE2 . TYR A 1 74 ? 9.925 -25.199 17.082 1.00 44.39 74 A 1 ATOM 620 C CZ . TYR A 1 74 ? 10.059 -26.215 16.120 1.00 41.55 74 A 1 ATOM 621 O OH . TYR A 1 74 ? 10.220 -25.889 14.802 1.00 40.01 74 A 1 ATOM 622 N N . THR A 1 75 ? 7.218 -29.260 22.442 1.00 56.35 75 A 1 ATOM 623 C CA . THR A 1 75 ? 7.125 -29.841 23.789 1.00 57.19 75 A 1 ATOM 624 C C . THR A 1 75 ? 8.201 -30.897 24.037 1.00 56.65 75 A 1 ATOM 625 O O . THR A 1 75 ? 8.345 -31.359 25.162 1.00 53.77 75 A 1 ATOM 626 C CB . THR A 1 75 ? 5.732 -30.434 24.042 1.00 54.96 75 A 1 ATOM 627 O OG1 . THR A 1 75 ? 5.321 -31.203 22.928 1.00 49.86 75 A 1 ATOM 628 C CG2 . THR A 1 75 ? 4.687 -29.336 24.247 1.00 50.26 75 A 1 ATOM 629 N N . LYS A 1 76 ? 8.950 -31.262 23.021 1.00 57.12 76 A 1 ATOM 630 C CA . LYS A 1 76 ? 10.111 -32.139 23.138 1.00 58.53 76 A 1 ATOM 631 C C . LYS A 1 76 ? 11.269 -31.515 22.376 1.00 57.80 76 A 1 ATOM 632 O O . LYS A 1 76 ? 11.158 -31.285 21.175 1.00 55.86 76 A 1 ATOM 633 C CB . LYS A 1 76 ? 9.783 -33.553 22.639 1.00 57.26 76 A 1 ATOM 634 C CG . LYS A 1 76 ? 8.755 -34.242 23.551 1.00 53.10 76 A 1 ATOM 635 C CD . LYS A 1 76 ? 8.536 -35.703 23.157 1.00 51.26 76 A 1 ATOM 636 C CE . LYS A 1 76 ? 7.544 -36.351 24.131 1.00 46.41 76 A 1 ATOM 637 N NZ . LYS A 1 76 ? 7.359 -37.794 23.846 1.00 41.04 76 A 1 ATOM 638 N N . PHE A 1 77 ? 12.353 -31.238 23.082 1.00 56.17 77 A 1 ATOM 639 C CA . PHE A 1 77 ? 13.632 -31.001 22.437 1.00 56.27 77 A 1 ATOM 640 C C . PHE A 1 77 ? 13.937 -32.251 21.617 1.00 55.51 77 A 1 ATOM 641 O O . PHE A 1 77 ? 14.023 -33.350 22.163 1.00 54.25 77 A 1 ATOM 642 C CB . PHE A 1 77 ? 14.711 -30.718 23.493 1.00 53.84 77 A 1 ATOM 643 C CG . PHE A 1 77 ? 14.589 -29.342 24.121 1.00 50.93 77 A 1 ATOM 644 C CD1 . PHE A 1 77 ? 15.242 -28.245 23.531 1.00 48.69 77 A 1 ATOM 645 C CD2 . PHE A 1 77 ? 13.808 -29.140 25.273 1.00 47.19 77 A 1 ATOM 646 C CE1 . PHE A 1 77 ? 15.121 -26.960 24.091 1.00 44.48 77 A 1 ATOM 647 C CE2 . PHE A 1 77 ? 13.681 -27.854 25.831 1.00 44.91 77 A 1 ATOM 648 C CZ . PHE A 1 77 ? 14.343 -26.764 25.242 1.00 42.05 77 A 1 ATOM 649 N N . ILE A 1 78 ? 14.001 -32.097 20.298 1.00 53.44 78 A 1 ATOM 650 C CA . ILE A 1 78 ? 14.561 -33.144 19.457 1.00 54.86 78 A 1 ATOM 651 C C . ILE A 1 78 ? 16.021 -33.230 19.898 1.00 54.54 78 A 1 ATOM 652 O O . ILE A 1 78 ? 16.768 -32.268 19.722 1.00 52.66 78 A 1 ATOM 653 C CB . ILE A 1 78 ? 14.384 -32.804 17.956 1.00 52.73 78 A 1 ATOM 654 C CG1 . ILE A 1 78 ? 12.876 -32.703 17.602 1.00 48.84 78 A 1 ATOM 655 C CG2 . ILE A 1 78 ? 15.078 -33.864 17.083 1.00 48.04 78 A 1 ATOM 656 C CD1 . ILE A 1 78 ? 12.599 -32.133 16.201 1.00 44.85 78 A 1 ATOM 657 N N . GLU A 1 79 ? 16.391 -34.324 20.518 1.00 54.76 79 A 1 ATOM 658 C CA . GLU A 1 79 ? 17.806 -34.631 20.703 1.00 56.61 79 A 1 ATOM 659 C C . GLU A 1 79 ? 18.419 -34.681 19.310 1.00 56.16 79 A 1 ATOM 660 O O . GLU A 1 79 ? 18.150 -35.582 18.516 1.00 54.90 79 A 1 ATOM 661 C CB . GLU A 1 79 ? 18.003 -35.948 21.462 1.00 55.00 79 A 1 ATOM 662 C CG . GLU A 1 79 ? 17.717 -35.784 22.963 1.00 50.00 79 A 1 ATOM 663 C CD . GLU A 1 79 ? 17.933 -37.073 23.772 1.00 46.26 79 A 1 ATOM 664 O OE1 . GLU A 1 79 ? 17.999 -36.959 25.014 1.00 44.55 79 A 1 ATOM 665 O OE2 . GLU A 1 79 ? 17.984 -38.160 23.155 1.00 43.21 79 A 1 ATOM 666 N N . ILE A 1 80 ? 19.125 -33.621 18.969 1.00 59.96 80 A 1 ATOM 667 C CA . ILE A 1 80 ? 19.799 -33.520 17.683 1.00 61.65 80 A 1 ATOM 668 C C . ILE A 1 80 ? 20.843 -34.628 17.690 1.00 62.07 80 A 1 ATOM 669 O O . ILE A 1 80 ? 21.776 -34.590 18.493 1.00 59.25 80 A 1 ATOM 670 C CB . ILE A 1 80 ? 20.404 -32.112 17.480 1.00 59.72 80 A 1 ATOM 671 C CG1 . ILE A 1 80 ? 19.302 -31.023 17.523 1.00 55.84 80 A 1 ATOM 672 C CG2 . ILE A 1 80 ? 21.163 -32.052 16.143 1.00 54.91 80 A 1 ATOM 673 C CD1 . ILE A 1 80 ? 19.841 -29.582 17.545 1.00 51.81 80 A 1 ATOM 674 N N . ASP A 1 81 ? 20.647 -35.615 16.810 1.00 59.31 81 A 1 ATOM 675 C CA . ASP A 1 81 ? 21.635 -36.670 16.603 1.00 62.46 81 A 1 ATOM 676 C C . ASP A 1 81 ? 23.006 -36.002 16.426 1.00 62.11 81 A 1 ATOM 677 O O . ASP A 1 81 ? 23.155 -35.158 15.533 1.00 60.97 81 A 1 ATOM 678 C CB . ASP A 1 81 ? 21.229 -37.516 15.377 1.00 61.10 81 A 1 ATOM 679 C CG . ASP A 1 81 ? 22.161 -38.699 15.065 1.00 54.63 81 A 1 ATOM 680 O OD1 . ASP A 1 81 ? 23.334 -38.697 15.508 1.00 54.03 81 A 1 ATOM 681 O OD2 . ASP A 1 81 ? 21.724 -39.611 14.330 1.00 51.79 81 A 1 ATOM 682 N N . PRO A 1 82 ? 23.986 -36.321 17.256 1.00 65.04 82 A 1 ATOM 683 C CA . PRO A 1 82 ? 25.306 -35.695 17.189 1.00 65.52 82 A 1 ATOM 684 C C . PRO A 1 82 ? 25.952 -35.806 15.804 1.00 65.36 82 A 1 ATOM 685 O O . PRO A 1 82 ? 26.766 -34.959 15.449 1.00 63.86 82 A 1 ATOM 686 C CB . PRO A 1 82 ? 26.132 -36.374 18.290 1.00 65.29 82 A 1 ATOM 687 C CG . PRO A 1 82 ? 25.374 -37.659 18.606 1.00 65.00 82 A 1 ATOM 688 C CD . PRO A 1 82 ? 23.925 -37.297 18.331 1.00 66.95 82 A 1 ATOM 689 N N . ARG A 1 83 ? 25.522 -36.758 14.981 1.00 64.90 83 A 1 ATOM 690 C CA . ARG A 1 83 ? 25.957 -36.892 13.581 1.00 65.74 83 A 1 ATOM 691 C C . ARG A 1 83 ? 25.470 -35.761 12.672 1.00 64.54 83 A 1 ATOM 692 O O . ARG A 1 83 ? 26.077 -35.521 11.633 1.00 64.49 83 A 1 ATOM 693 C CB . ARG A 1 83 ? 25.452 -38.227 13.026 1.00 66.16 83 A 1 ATOM 694 C CG . ARG A 1 83 ? 26.041 -39.421 13.781 1.00 61.48 83 A 1 ATOM 695 C CD . ARG A 1 83 ? 25.397 -40.702 13.264 1.00 60.40 83 A 1 ATOM 696 N NE . ARG A 1 83 ? 25.907 -41.869 13.994 1.00 56.24 83 A 1 ATOM 697 C CZ . ARG A 1 83 ? 25.544 -43.121 13.781 1.00 53.26 83 A 1 ATOM 698 N NH1 . ARG A 1 83 ? 24.667 -43.425 12.860 1.00 51.32 83 A 1 ATOM 699 N NH2 . ARG A 1 83 ? 26.053 -44.085 14.490 1.00 48.98 83 A 1 ATOM 700 N N . LEU A 1 84 ? 24.382 -35.087 13.058 1.00 63.56 84 A 1 ATOM 701 C CA . LEU A 1 84 ? 23.837 -33.947 12.314 1.00 64.81 84 A 1 ATOM 702 C C . LEU A 1 84 ? 24.389 -32.599 12.793 1.00 64.60 84 A 1 ATOM 703 O O . LEU A 1 84 ? 24.160 -31.582 12.137 1.00 63.36 84 A 1 ATOM 704 C CB . LEU A 1 84 ? 22.299 -33.981 12.396 1.00 63.60 84 A 1 ATOM 705 C CG . LEU A 1 84 ? 21.665 -35.134 11.599 1.00 59.72 84 A 1 ATOM 706 C CD1 . LEU A 1 84 ? 20.186 -35.260 11.970 1.00 57.74 84 A 1 ATOM 707 C CD2 . LEU A 1 84 ? 21.751 -34.898 10.091 1.00 56.57 84 A 1 ATOM 708 N N . ARG A 1 85 ? 25.118 -32.565 13.893 1.00 64.60 85 A 1 ATOM 709 C CA . ARG A 1 85 ? 25.666 -31.341 14.490 1.00 64.50 85 A 1 ATOM 710 C C . ARG A 1 85 ? 26.665 -30.640 13.568 1.00 62.39 85 A 1 ATOM 711 O O . ARG A 1 85 ? 26.667 -29.411 13.504 1.00 60.35 85 A 1 ATOM 712 C CB . ARG A 1 85 ? 26.285 -31.705 15.846 1.00 63.08 85 A 1 ATOM 713 C CG . ARG A 1 85 ? 26.631 -30.463 16.670 1.00 57.75 85 A 1 ATOM 714 C CD . ARG A 1 85 ? 27.170 -30.891 18.035 1.00 56.27 85 A 1 ATOM 715 N NE . ARG A 1 85 ? 27.499 -29.724 18.868 1.00 51.37 85 A 1 ATOM 716 C CZ . ARG A 1 85 ? 27.928 -29.765 20.117 1.00 46.60 85 A 1 ATOM 717 N NH1 . ARG A 1 85 ? 28.118 -30.896 20.740 1.00 45.26 85 A 1 ATOM 718 N NH2 . ARG A 1 85 ? 28.183 -28.660 20.758 1.00 42.15 85 A 1 ATOM 719 N N . ASP A 1 86 ? 27.425 -31.415 12.823 1.00 60.98 86 A 1 ATOM 720 C CA . ASP A 1 86 ? 28.458 -30.903 11.907 1.00 62.72 86 A 1 ATOM 721 C C . ASP A 1 86 ? 27.991 -30.838 10.443 1.00 61.96 86 A 1 ATOM 722 O O . ASP A 1 86 ? 28.791 -30.580 9.535 1.00 59.47 86 A 1 ATOM 723 C CB . ASP A 1 86 ? 29.739 -31.736 12.070 1.00 61.21 86 A 1 ATOM 724 C CG . ASP A 1 86 ? 30.316 -31.641 13.483 1.00 57.10 86 A 1 ATOM 725 O OD1 . ASP A 1 86 ? 30.207 -30.551 14.097 1.00 54.46 86 A 1 ATOM 726 O OD2 . ASP A 1 86 ? 30.851 -32.665 13.944 1.00 53.70 86 A 1 ATOM 727 N N . TYR A 1 87 ? 26.675 -31.043 10.198 1.00 64.29 87 A 1 ATOM 728 C CA . TYR A 1 87 ? 26.133 -30.889 8.856 1.00 64.46 87 A 1 ATOM 729 C C . TYR A 1 87 ? 26.105 -29.404 8.484 1.00 62.67 87 A 1 ATOM 730 O O . TYR A 1 87 ? 25.112 -28.698 8.661 1.00 61.11 87 A 1 ATOM 731 C CB . TYR A 1 87 ? 24.777 -31.598 8.729 1.00 63.42 87 A 1 ATOM 732 C CG . TYR A 1 87 ? 24.454 -31.977 7.292 1.00 58.68 87 A 1 ATOM 733 C CD1 . TYR A 1 87 ? 23.722 -31.113 6.457 1.00 56.60 87 A 1 ATOM 734 C CD2 . TYR A 1 87 ? 24.911 -33.213 6.788 1.00 54.60 87 A 1 ATOM 735 C CE1 . TYR A 1 87 ? 23.441 -31.481 5.130 1.00 50.94 87 A 1 ATOM 736 C CE2 . TYR A 1 87 ? 24.634 -33.587 5.461 1.00 52.32 87 A 1 ATOM 737 C CZ . TYR A 1 87 ? 23.891 -32.722 4.631 1.00 48.65 87 A 1 ATOM 738 O OH . TYR A 1 87 ? 23.610 -33.085 3.346 1.00 48.82 87 A 1 ATOM 739 N N . ARG A 1 88 ? 27.220 -28.897 7.961 1.00 60.45 88 A 1 ATOM 740 C CA . ARG A 1 88 ? 27.274 -27.594 7.304 1.00 60.72 88 A 1 ATOM 741 C C . ARG A 1 88 ? 26.197 -27.586 6.230 1.00 59.41 88 A 1 ATOM 742 O O . ARG A 1 88 ? 26.234 -28.398 5.303 1.00 57.91 88 A 1 ATOM 743 C CB . ARG A 1 88 ? 28.662 -27.312 6.695 1.00 59.36 88 A 1 ATOM 744 C CG . ARG A 1 88 ? 29.641 -26.712 7.716 1.00 54.16 88 A 1 ATOM 745 C CD . ARG A 1 88 ? 30.955 -26.325 7.025 1.00 53.13 88 A 1 ATOM 746 N NE . ARG A 1 88 ? 31.848 -25.564 7.928 1.00 48.69 88 A 1 ATOM 747 C CZ . ARG A 1 88 ? 33.022 -25.039 7.605 1.00 44.95 88 A 1 ATOM 748 N NH1 . ARG A 1 88 ? 33.540 -25.177 6.413 1.00 42.58 88 A 1 ATOM 749 N NH2 . ARG A 1 88 ? 33.703 -24.358 8.482 1.00 40.18 88 A 1 ATOM 750 N N . SER A 1 89 ? 25.252 -26.685 6.388 1.00 57.75 89 A 1 ATOM 751 C CA . SER A 1 89 ? 24.255 -26.366 5.370 1.00 58.47 89 A 1 ATOM 752 C C . SER A 1 89 ? 24.939 -26.341 4.000 1.00 57.57 89 A 1 ATOM 753 O O . SER A 1 89 ? 25.882 -25.576 3.787 1.00 54.68 89 A 1 ATOM 754 C CB . SER A 1 89 ? 23.627 -25.006 5.711 1.00 57.18 89 A 1 ATOM 755 O OG . SER A 1 89 ? 23.128 -24.359 4.563 1.00 50.95 89 A 1 ATOM 756 N N . ARG A 1 90 ? 24.439 -27.169 3.080 1.00 57.01 90 A 1 ATOM 757 C CA . ARG A 1 90 ? 24.953 -27.283 1.705 1.00 57.25 90 A 1 ATOM 758 C C . ARG A 1 90 ? 24.896 -25.957 0.932 1.00 55.57 90 A 1 ATOM 759 O O . ARG A 1 90 ? 25.509 -25.850 -0.115 1.00 54.42 90 A 1 ATOM 760 C CB . ARG A 1 90 ? 24.175 -28.403 0.989 1.00 56.63 90 A 1 ATOM 761 C CG . ARG A 1 90 ? 25.078 -29.384 0.229 1.00 52.96 90 A 1 ATOM 762 C CD . ARG A 1 90 ? 24.229 -30.490 -0.397 1.00 53.05 90 A 1 ATOM 763 N NE . ARG A 1 90 ? 25.056 -31.561 -0.982 1.00 48.51 90 A 1 ATOM 764 C CZ . ARG A 1 90 ? 24.601 -32.682 -1.526 1.00 46.64 90 A 1 ATOM 765 N NH1 . ARG A 1 90 ? 23.321 -32.936 -1.617 1.00 43.93 90 A 1 ATOM 766 N NH2 . ARG A 1 90 ? 25.427 -33.576 -1.990 1.00 41.52 90 A 1 ATOM 767 N N . TYR A 1 91 ? 24.198 -24.976 1.480 1.00 59.35 91 A 1 ATOM 768 C CA . TYR A 1 91 ? 24.048 -23.627 0.927 1.00 59.83 91 A 1 ATOM 769 C C . TYR A 1 91 ? 24.981 -22.579 1.561 1.00 58.14 91 A 1 ATOM 770 O O . TYR A 1 91 ? 24.916 -21.411 1.189 1.00 55.48 91 A 1 ATOM 771 C CB . TYR A 1 91 ? 22.575 -23.224 1.034 1.00 58.39 91 A 1 ATOM 772 C CG . TYR A 1 91 ? 21.668 -24.083 0.176 1.00 55.04 91 A 1 ATOM 773 C CD1 . TYR A 1 91 ? 21.553 -23.809 -1.201 1.00 54.06 91 A 1 ATOM 774 C CD2 . TYR A 1 91 ? 20.958 -25.165 0.732 1.00 52.30 91 A 1 ATOM 775 C CE1 . TYR A 1 91 ? 20.731 -24.601 -2.015 1.00 49.56 91 A 1 ATOM 776 C CE2 . TYR A 1 91 ? 20.136 -25.969 -0.082 1.00 49.91 91 A 1 ATOM 777 C CZ . TYR A 1 91 ? 20.020 -25.681 -1.455 1.00 48.21 91 A 1 ATOM 778 O OH . TYR A 1 91 ? 19.220 -26.449 -2.251 1.00 46.39 91 A 1 ATOM 779 N N . GLY A 1 92 ? 25.839 -22.962 2.499 1.00 56.83 92 A 1 ATOM 780 C CA . GLY A 1 92 ? 26.771 -22.039 3.176 1.00 58.53 92 A 1 ATOM 781 C C . GLY A 1 92 ? 28.158 -21.920 2.540 1.00 57.80 92 A 1 ATOM 782 O O . GLY A 1 92 ? 28.972 -21.130 3.010 1.00 55.62 92 A 1 ATOM 783 N N . ALA A 1 93 ? 28.433 -22.689 1.498 1.00 53.76 93 A 1 ATOM 784 C CA . ALA A 1 93 ? 29.718 -22.663 0.801 1.00 55.56 93 A 1 ATOM 785 C C . ALA A 1 93 ? 29.621 -21.877 -0.517 1.00 54.47 93 A 1 ATOM 786 O O . ALA A 1 93 ? 29.866 -22.413 -1.592 1.00 52.68 93 A 1 ATOM 787 C CB . ALA A 1 93 ? 30.238 -24.101 0.641 1.00 54.45 93 A 1 ATOM 788 N N . ILE A 1 94 ? 29.233 -20.616 -0.434 1.00 53.54 94 A 1 ATOM 789 C CA . ILE A 1 94 ? 29.572 -19.667 -1.502 1.00 55.37 94 A 1 ATOM 790 C C . ILE A 1 94 ? 30.971 -19.166 -1.162 1.00 52.73 94 A 1 ATOM 791 O O . ILE A 1 94 ? 31.148 -18.313 -0.290 1.00 49.41 94 A 1 ATOM 792 C CB . ILE A 1 94 ? 28.519 -18.544 -1.660 1.00 55.26 94 A 1 ATOM 793 C CG1 . ILE A 1 94 ? 27.134 -19.156 -1.968 1.00 51.32 94 A 1 ATOM 794 C CG2 . ILE A 1 94 ? 28.962 -17.589 -2.791 1.00 50.79 94 A 1 ATOM 795 C CD1 . ILE A 1 94 ? 25.987 -18.127 -1.996 1.00 48.34 94 A 1 ATOM 796 N N . SER A 1 95 ? 31.963 -19.770 -1.785 1.00 51.55 95 A 1 ATOM 797 C CA . SER A 1 95 ? 33.327 -19.264 -1.741 1.00 53.01 95 A 1 ATOM 798 C C . SER A 1 95 ? 33.345 -17.897 -2.410 1.00 51.67 95 A 1 ATOM 799 O O . SER A 1 95 ? 33.153 -17.807 -3.623 1.00 48.46 95 A 1 ATOM 800 C CB . SER A 1 95 ? 34.280 -20.230 -2.459 1.00 51.33 95 A 1 ATOM 801 O OG . SER A 1 95 ? 33.838 -20.481 -3.781 1.00 44.90 95 A 1 ATOM 802 N N . ASN A 1 96 ? 33.576 -16.852 -1.622 1.00 47.74 96 A 1 ATOM 803 C CA . ASN A 1 96 ? 34.034 -15.591 -2.183 1.00 48.11 96 A 1 ATOM 804 C C . ASN A 1 96 ? 35.437 -15.827 -2.750 1.00 46.07 96 A 1 ATOM 805 O O . ASN A 1 96 ? 36.392 -15.944 -1.982 1.00 42.47 96 A 1 ATOM 806 C CB . ASN A 1 96 ? 34.034 -14.496 -1.098 1.00 46.35 96 A 1 ATOM 807 C CG . ASN A 1 96 ? 32.646 -14.013 -0.716 1.00 43.04 96 A 1 ATOM 808 O OD1 . ASN A 1 96 ? 31.664 -14.172 -1.420 1.00 41.70 96 A 1 ATOM 809 N ND2 . ASN A 1 96 ? 32.520 -13.380 0.432 1.00 39.46 96 A 1 ATOM 810 N N . ASN A 1 97 ? 35.530 -15.946 -4.059 1.00 44.10 97 A 1 ATOM 811 C CA . ASN A 1 97 ? 36.737 -15.663 -4.828 1.00 47.20 97 A 1 ATOM 812 C C . ASN A 1 97 ? 36.472 -14.390 -5.630 1.00 43.04 97 A 1 ATOM 813 O O . ASN A 1 97 ? 35.374 -14.294 -6.214 1.00 38.11 97 A 1 ATOM 814 C CB . ASN A 1 97 ? 37.116 -16.867 -5.721 1.00 44.52 97 A 1 ATOM 815 C CG . ASN A 1 97 ? 38.475 -17.487 -5.438 1.00 39.90 97 A 1 ATOM 816 O OD1 . ASN A 1 97 ? 39.172 -17.208 -4.475 1.00 36.52 97 A 1 ATOM 817 N ND2 . ASN A 1 97 ? 38.913 -18.385 -6.301 1.00 34.39 97 A 1 ATOM 818 O OXT . ASN A 1 97 ? 37.384 -13.523 -5.650 1.00 31.92 97 A 1 #