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*** ***elNémo ID: 2601181959292997910Job options:ID = 2601181959292997910 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:data_1FD9 # _entry.id 1FD9 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.385 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code _database_2.pdbx_database_accession _database_2.pdbx_DOI PDB 1FD9 pdb_00001fd9 10.2210/pdb1fd9/pdb RCSB RCSB011497 ? ? WWPDB D_1000011497 ? ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2001-07-25 2 'Structure model' 1 1 2008-04-27 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2018-01-24 5 'Structure model' 1 4 2024-02-07 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? _pdbx_audit_revision_details.details ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Derived calculations' 3 3 'Structure model' 'Version format compliance' 4 4 'Structure model' Advisory 5 4 'Structure model' 'Structure summary' 6 5 'Structure model' Advisory 7 5 'Structure model' 'Data collection' 8 5 'Structure model' 'Database references' 9 5 'Structure model' 'Derived calculations' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 4 'Structure model' audit_author 2 4 'Structure model' pdbx_unobs_or_zero_occ_atoms 3 5 'Structure model' chem_comp_atom 4 5 'Structure model' chem_comp_bond 5 5 'Structure model' database_2 6 5 'Structure model' pdbx_struct_conn_angle 7 5 'Structure model' pdbx_unobs_or_zero_occ_atoms 8 5 'Structure model' struct_conn 9 5 'Structure model' struct_ref_seq_dif 10 5 'Structure model' struct_site # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 4 'Structure model' '_audit_author.name' 2 5 'Structure model' '_database_2.pdbx_DOI' 3 5 'Structure model' '_database_2.pdbx_database_accession' 4 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_comp_id' 5 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_seq_id' 6 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_asym_id' 7 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_atom_id' 8 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_comp_id' 9 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_seq_id' 10 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_symmetry' 11 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_comp_id' 12 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_seq_id' 13 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_asym_id' 14 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_atom_id' 15 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_comp_id' 16 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_seq_id' 17 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_symmetry' 18 5 'Structure model' '_pdbx_struct_conn_angle.value' 19 5 'Structure model' '_struct_conn.pdbx_dist_value' 20 5 'Structure model' '_struct_conn.ptnr1_auth_comp_id' 21 5 'Structure model' '_struct_conn.ptnr1_auth_seq_id' 22 5 'Structure model' '_struct_conn.ptnr1_label_asym_id' 23 5 'Structure model' '_struct_conn.ptnr1_label_atom_id' 24 5 'Structure model' '_struct_conn.ptnr1_label_comp_id' 25 5 'Structure model' '_struct_conn.ptnr1_label_seq_id' 26 5 'Structure model' '_struct_conn.ptnr1_symmetry' 27 5 'Structure model' '_struct_conn.ptnr2_auth_comp_id' 28 5 'Structure model' '_struct_conn.ptnr2_auth_seq_id' 29 5 'Structure model' '_struct_conn.ptnr2_label_asym_id' 30 5 'Structure model' '_struct_conn.ptnr2_label_atom_id' 31 5 'Structure model' '_struct_conn.ptnr2_label_comp_id' 32 5 'Structure model' '_struct_conn.ptnr2_label_seq_id' 33 5 'Structure model' '_struct_conn.ptnr2_symmetry' 34 5 'Structure model' '_struct_ref_seq_dif.details' 35 5 'Structure model' '_struct_site.pdbx_auth_asym_id' 36 5 'Structure model' '_struct_site.pdbx_auth_comp_id' 37 5 'Structure model' '_struct_site.pdbx_auth_seq_id' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1FD9 _pdbx_database_status.recvd_initial_deposition_date 2000-07-20 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.SG_entry . _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.status_code_nmr_data ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Riboldi-Tunnicliffe, A.' 1 'Jessen, S.' 2 'Konig, B.' 3 'Rahfeld, J.' 4 'Hacker, J.' 5 'Fischer, G.' 6 'Hilgenfeld, R.' 7 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'Crystal structure of Mip, a prolylisomerase from Legionella pneumophila' Nat.Struct.Biol. 8 779 783 2001 NSBIEW US 1072-8368 2024 ? 11524681 10.1038/nsb0901-779 1 'Mip protein of Legionella pneumophila exhibits peptidyl-prolyl-cis/trans isomerase (PPlase) activity.' Mol.Microbiol. 6 1375 1383 1992 MOMIEE UK 0950-382X 2007 ? ? ? 2 'Characterization of Mip proteins of Legionella pneumophila.' 'FEMS Microbiol.Rev.' 118 23 30 1994 FMREE4 NE 0168-6445 2078 ? ? '10.1016/0378-1097(94)90591-6' 3 'Small angle X-ray solution scattering study on the dimerization of the FKBP25mem from Legionella pneumophila' 'FEBS Lett.' 372 169 172 1995 FEBLAL NE 0014-5793 0165 ? ? '10.1016/0014-5793(95)00951-5' # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Riboldi-Tunnicliffe, A.' 1 ? primary 'Konig, B.' 2 ? primary 'Jessen, S.' 3 ? primary 'Weiss, M.S.' 4 ? primary 'Rahfeld, J.' 5 ? primary 'Hacker, J.' 6 ? primary 'Fischer, G.' 7 ? primary 'Hilgenfeld, R.' 8 ? 1 'Fischer, G.' 9 ? 1 'Bang, H.' 10 ? 1 'Ludwig, B.' 11 ? 1 'Mann, K.' 12 ? 1 'Hacker, J.' 13 ? 2 'Ludwig, B.' 14 ? 2 'Rahfeld, J.' 15 ? 2 'Schmidt, B.' 16 ? 2 'Mann, K.' 17 ? 2 'Wintermeyer, E.' 18 ? 2 'Fischer, G.' 19 ? 2 'Hacker, J.' 20 ? 3 'Schmidt, B.' 21 ? 3 'Konig, S.' 22 ? 3 'Svergun, D.' 23 ? 3 'Volkov, V.' 24 ? 3 'Fischer, G.' 25 ? 3 'Koch, M.H.' 26 ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'PROTEIN (MACROPHAGE INFECTIVITY POTENTIATOR PROTEIN)' 22869.012 1 5.2.1.8 ? ? ? 2 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 3 water nat water 18.015 96 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'MIP, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE, PPIASE, ROTAMASE' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;ATDATSLATDKDKLSYSIGADLGKNFKNQGIDVNPEAMAKGMQDAMSGAQLALTEQQMKDVLNKFQKDLMAKRTAEFNKK ADENKVKGEAFLTENKNKPGVVVLPSGLQYKVINSGNGVKPGKSDTVTVEYTGRLIDGTVFDSTEKTGKPATFQVSQVIP GWTEALQLMPAGSTWEIYVPSGLAYGPRSVGGPIGPNETLIFKIHLISVKKSS ; _entity_poly.pdbx_seq_one_letter_code_can ;ATDATSLATDKDKLSYSIGADLGKNFKNQGIDVNPEAMAKGMQDAMSGAQLALTEQQMKDVLNKFQKDLMAKRTAEFNKK ADENKVKGEAFLTENKNKPGVVVLPSGLQYKVINSGNGVKPGKSDTVTVEYTGRLIDGTVFDSTEKTGKPATFQVSQVIP GWTEALQLMPAGSTWEIYVPSGLAYGPRSVGGPIGPNETLIFKIHLISVKKSS ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'ZINC ION' ZN 3 water HOH # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ALA n 1 2 THR n 1 3 ASP n 1 4 ALA n 1 5 THR n 1 6 SER n 1 7 LEU n 1 8 ALA n 1 9 THR n 1 10 ASP n 1 11 LYS n 1 12 ASP n 1 13 LYS n 1 14 LEU n 1 15 SER n 1 16 TYR n 1 17 SER n 1 18 ILE n 1 19 GLY n 1 20 ALA n 1 21 ASP n 1 22 LEU n 1 23 GLY n 1 24 LYS n 1 25 ASN n 1 26 PHE n 1 27 LYS n 1 28 ASN n 1 29 GLN n 1 30 GLY n 1 31 ILE n 1 32 ASP n 1 33 VAL n 1 34 ASN n 1 35 PRO n 1 36 GLU n 1 37 ALA n 1 38 MET n 1 39 ALA n 1 40 LYS n 1 41 GLY n 1 42 MET n 1 43 GLN n 1 44 ASP n 1 45 ALA n 1 46 MET n 1 47 SER n 1 48 GLY n 1 49 ALA n 1 50 GLN n 1 51 LEU n 1 52 ALA n 1 53 LEU n 1 54 THR n 1 55 GLU n 1 56 GLN n 1 57 GLN n 1 58 MET n 1 59 LYS n 1 60 ASP n 1 61 VAL n 1 62 LEU n 1 63 ASN n 1 64 LYS n 1 65 PHE n 1 66 GLN n 1 67 LYS n 1 68 ASP n 1 69 LEU n 1 70 MET n 1 71 ALA n 1 72 LYS n 1 73 ARG n 1 74 THR n 1 75 ALA n 1 76 GLU n 1 77 PHE n 1 78 ASN n 1 79 LYS n 1 80 LYS n 1 81 ALA n 1 82 ASP n 1 83 GLU n 1 84 ASN n 1 85 LYS n 1 86 VAL n 1 87 LYS n 1 88 GLY n 1 89 GLU n 1 90 ALA n 1 91 PHE n 1 92 LEU n 1 93 THR n 1 94 GLU n 1 95 ASN n 1 96 LYS n 1 97 ASN n 1 98 LYS n 1 99 PRO n 1 100 GLY n 1 101 VAL n 1 102 VAL n 1 103 VAL n 1 104 LEU n 1 105 PRO n 1 106 SER n 1 107 GLY n 1 108 LEU n 1 109 GLN n 1 110 TYR n 1 111 LYS n 1 112 VAL n 1 113 ILE n 1 114 ASN n 1 115 SER n 1 116 GLY n 1 117 ASN n 1 118 GLY n 1 119 VAL n 1 120 LYS n 1 121 PRO n 1 122 GLY n 1 123 LYS n 1 124 SER n 1 125 ASP n 1 126 THR n 1 127 VAL n 1 128 THR n 1 129 VAL n 1 130 GLU n 1 131 TYR n 1 132 THR n 1 133 GLY n 1 134 ARG n 1 135 LEU n 1 136 ILE n 1 137 ASP n 1 138 GLY n 1 139 THR n 1 140 VAL n 1 141 PHE n 1 142 ASP n 1 143 SER n 1 144 THR n 1 145 GLU n 1 146 LYS n 1 147 THR n 1 148 GLY n 1 149 LYS n 1 150 PRO n 1 151 ALA n 1 152 THR n 1 153 PHE n 1 154 GLN n 1 155 VAL n 1 156 SER n 1 157 GLN n 1 158 VAL n 1 159 ILE n 1 160 PRO n 1 161 GLY n 1 162 TRP n 1 163 THR n 1 164 GLU n 1 165 ALA n 1 166 LEU n 1 167 GLN n 1 168 LEU n 1 169 MET n 1 170 PRO n 1 171 ALA n 1 172 GLY n 1 173 SER n 1 174 THR n 1 175 TRP n 1 176 GLU n 1 177 ILE n 1 178 TYR n 1 179 VAL n 1 180 PRO n 1 181 SER n 1 182 GLY n 1 183 LEU n 1 184 ALA n 1 185 TYR n 1 186 GLY n 1 187 PRO n 1 188 ARG n 1 189 SER n 1 190 VAL n 1 191 GLY n 1 192 GLY n 1 193 PRO n 1 194 ILE n 1 195 GLY n 1 196 PRO n 1 197 ASN n 1 198 GLU n 1 199 THR n 1 200 LEU n 1 201 ILE n 1 202 PHE n 1 203 LYS n 1 204 ILE n 1 205 HIS n 1 206 LEU n 1 207 ILE n 1 208 SER n 1 209 VAL n 1 210 LYS n 1 211 LYS n 1 212 SER n 1 213 SER n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus Legionella _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Legionella pneumophila' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 446 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 _entity_src_gen.host_org_genus Escherichia _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type PLASMID _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name PBLL106 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ALA 1 1 ? ? ? A . n A 1 2 THR 2 2 ? ? ? A . n A 1 3 ASP 3 3 ? ? ? A . n A 1 4 ALA 4 4 ? ? ? A . n A 1 5 THR 5 5 ? ? ? A . n A 1 6 SER 6 6 ? ? ? A . n A 1 7 LEU 7 7 ? ? ? A . n A 1 8 ALA 8 8 ? ? ? A . n A 1 9 THR 9 9 9 THR THR A . n A 1 10 ASP 10 10 10 ASP ASP A . n A 1 11 LYS 11 11 11 LYS LYS A . n A 1 12 ASP 12 12 12 ASP ASP A . n A 1 13 LYS 13 13 13 LYS LYS A . n A 1 14 LEU 14 14 14 LEU LEU A . n A 1 15 SER 15 15 15 SER SER A . n A 1 16 TYR 16 16 16 TYR TYR A . n A 1 17 SER 17 17 17 SER SER A . n A 1 18 ILE 18 18 18 ILE ILE A . n A 1 19 GLY 19 19 19 GLY GLY A . n A 1 20 ALA 20 20 20 ALA ALA A . n A 1 21 ASP 21 21 21 ASP ASP A . n A 1 22 LEU 22 22 22 LEU LEU A . n A 1 23 GLY 23 23 23 GLY GLY A . n A 1 24 LYS 24 24 24 LYS LYS A . n A 1 25 ASN 25 25 25 ASN ASN A . n A 1 26 PHE 26 26 26 PHE PHE A . n A 1 27 LYS 27 27 27 LYS LYS A . n A 1 28 ASN 28 28 28 ASN ASN A . n A 1 29 GLN 29 29 29 GLN GLN A . n A 1 30 GLY 30 30 30 GLY GLY A . n A 1 31 ILE 31 31 31 ILE ILE A . n A 1 32 ASP 32 32 32 ASP ASP A . n A 1 33 VAL 33 33 33 VAL VAL A . n A 1 34 ASN 34 34 34 ASN ASN A . n A 1 35 PRO 35 35 35 PRO PRO A . n A 1 36 GLU 36 36 36 GLU GLU A . n A 1 37 ALA 37 37 37 ALA ALA A . n A 1 38 MET 38 38 38 MET MET A . n A 1 39 ALA 39 39 39 ALA ALA A . n A 1 40 LYS 40 40 40 LYS LYS A . n A 1 41 GLY 41 41 41 GLY GLY A . n A 1 42 MET 42 42 42 MET MET A . n A 1 43 GLN 43 43 43 GLN GLN A . n A 1 44 ASP 44 44 44 ASP ASP A . n A 1 45 ALA 45 45 45 ALA ALA A . n A 1 46 MET 46 46 46 MET MET A . n A 1 47 SER 47 47 47 SER SER A . n A 1 48 GLY 48 48 48 GLY GLY A . n A 1 49 ALA 49 49 49 ALA ALA A . n A 1 50 GLN 50 50 50 GLN GLN A . n A 1 51 LEU 51 51 51 LEU LEU A . n A 1 52 ALA 52 52 52 ALA ALA A . n A 1 53 LEU 53 53 53 LEU LEU A . n A 1 54 THR 54 54 54 THR THR A . n A 1 55 GLU 55 55 55 GLU GLU A . n A 1 56 GLN 56 56 56 GLN GLN A . n A 1 57 GLN 57 57 57 GLN GLN A . n A 1 58 MET 58 58 58 MET MET A . n A 1 59 LYS 59 59 59 LYS LYS A . n A 1 60 ASP 60 60 60 ASP ASP A . n A 1 61 VAL 61 61 61 VAL VAL A . n A 1 62 LEU 62 62 62 LEU LEU A . n A 1 63 ASN 63 63 63 ASN ASN A . n A 1 64 LYS 64 64 64 LYS LYS A . n A 1 65 PHE 65 65 65 PHE PHE A . n A 1 66 GLN 66 66 66 GLN GLN A . n A 1 67 LYS 67 67 67 LYS LYS A . n A 1 68 ASP 68 68 68 ASP ASP A . n A 1 69 LEU 69 69 69 LEU LEU A . n A 1 70 MET 70 70 70 MET MET A . n A 1 71 ALA 71 71 71 ALA ALA A . n A 1 72 LYS 72 72 72 LYS LYS A . n A 1 73 ARG 73 73 73 ARG ARG A . n A 1 74 THR 74 74 74 THR THR A . n A 1 75 ALA 75 75 75 ALA ALA A . n A 1 76 GLU 76 76 76 GLU GLU A . n A 1 77 PHE 77 77 77 PHE PHE A . n A 1 78 ASN 78 78 78 ASN ASN A . n A 1 79 LYS 79 79 79 LYS LYS A . n A 1 80 LYS 80 80 80 LYS LYS A . n A 1 81 ALA 81 81 81 ALA ALA A . n A 1 82 ASP 82 82 82 ASP ASP A . n A 1 83 GLU 83 83 83 GLU GLU A . n A 1 84 ASN 84 84 84 ASN ASN A . n A 1 85 LYS 85 85 85 LYS LYS A . n A 1 86 VAL 86 86 86 VAL VAL A . n A 1 87 LYS 87 87 87 LYS LYS A . n A 1 88 GLY 88 88 88 GLY GLY A . n A 1 89 GLU 89 89 89 GLU GLU A . n A 1 90 ALA 90 90 90 ALA ALA A . n A 1 91 PHE 91 91 91 PHE PHE A . n A 1 92 LEU 92 92 92 LEU LEU A . n A 1 93 THR 93 93 93 THR THR A . n A 1 94 GLU 94 94 94 GLU GLU A . n A 1 95 ASN 95 95 95 ASN ASN A . n A 1 96 LYS 96 96 96 LYS LYS A . n A 1 97 ASN 97 97 97 ASN ASN A . n A 1 98 LYS 98 98 98 LYS LYS A . n A 1 99 PRO 99 99 99 PRO PRO A . n A 1 100 GLY 100 100 100 GLY GLY A . n A 1 101 VAL 101 101 101 VAL VAL A . n A 1 102 VAL 102 102 102 VAL VAL A . n A 1 103 VAL 103 103 103 VAL VAL A . n A 1 104 LEU 104 104 104 LEU LEU A . n A 1 105 PRO 105 105 105 PRO PRO A . n A 1 106 SER 106 106 106 SER SER A . n A 1 107 GLY 107 107 107 GLY GLY A . n A 1 108 LEU 108 108 108 LEU LEU A . n A 1 109 GLN 109 109 109 GLN GLN A . n A 1 110 TYR 110 110 110 TYR TYR A . n A 1 111 LYS 111 111 111 LYS LYS A . n A 1 112 VAL 112 112 112 VAL VAL A . n A 1 113 ILE 113 113 113 ILE ILE A . n A 1 114 ASN 114 114 114 ASN ASN A . n A 1 115 SER 115 115 115 SER SER A . n A 1 116 GLY 116 116 116 GLY GLY A . n A 1 117 ASN 117 117 117 ASN ASN A . n A 1 118 GLY 118 118 118 GLY GLY A . n A 1 119 VAL 119 119 119 VAL VAL A . n A 1 120 LYS 120 120 120 LYS LYS A . n A 1 121 PRO 121 121 121 PRO PRO A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 LYS 123 123 123 LYS LYS A . n A 1 124 SER 124 124 124 SER SER A . n A 1 125 ASP 125 125 125 ASP ASP A . n A 1 126 THR 126 126 126 THR THR A . n A 1 127 VAL 127 127 127 VAL VAL A . n A 1 128 THR 128 128 128 THR THR A . n A 1 129 VAL 129 129 129 VAL VAL A . n A 1 130 GLU 130 130 130 GLU GLU A . n A 1 131 TYR 131 131 131 TYR TYR A . n A 1 132 THR 132 132 132 THR THR A . n A 1 133 GLY 133 133 133 GLY GLY A . n A 1 134 ARG 134 134 134 ARG ARG A . n A 1 135 LEU 135 135 135 LEU LEU A . n A 1 136 ILE 136 136 136 ILE ILE A . n A 1 137 ASP 137 137 137 ASP ASP A . n A 1 138 GLY 138 138 138 GLY GLY A . n A 1 139 THR 139 139 139 THR THR A . n A 1 140 VAL 140 140 140 VAL VAL A . n A 1 141 PHE 141 141 141 PHE PHE A . n A 1 142 ASP 142 142 142 ASP ASP A . n A 1 143 SER 143 143 143 SER SER A . n A 1 144 THR 144 144 144 THR THR A . n A 1 145 GLU 145 145 145 GLU GLU A . n A 1 146 LYS 146 146 146 LYS LYS A . n A 1 147 THR 147 147 147 THR THR A . n A 1 148 GLY 148 148 148 GLY GLY A . n A 1 149 LYS 149 149 149 LYS LYS A . n A 1 150 PRO 150 150 150 PRO PRO A . n A 1 151 ALA 151 151 151 ALA ALA A . n A 1 152 THR 152 152 152 THR THR A . n A 1 153 PHE 153 153 153 PHE PHE A . n A 1 154 GLN 154 154 154 GLN GLN A . n A 1 155 VAL 155 155 155 VAL VAL A . n A 1 156 SER 156 156 156 SER SER A . n A 1 157 GLN 157 157 157 GLN GLN A . n A 1 158 VAL 158 158 158 VAL VAL A . n A 1 159 ILE 159 159 159 ILE ILE A . n A 1 160 PRO 160 160 160 PRO PRO A . n A 1 161 GLY 161 161 161 GLY GLY A . n A 1 162 TRP 162 162 162 TRP TRP A . n A 1 163 THR 163 163 163 THR THR A . n A 1 164 GLU 164 164 164 GLU GLU A . n A 1 165 ALA 165 165 165 ALA ALA A . n A 1 166 LEU 166 166 166 LEU LEU A . n A 1 167 GLN 167 167 167 GLN GLN A . n A 1 168 LEU 168 168 168 LEU LEU A . n A 1 169 MET 169 169 169 MET MET A . n A 1 170 PRO 170 170 170 PRO PRO A . n A 1 171 ALA 171 171 171 ALA ALA A . n A 1 172 GLY 172 172 172 GLY GLY A . n A 1 173 SER 173 173 173 SER SER A . n A 1 174 THR 174 174 174 THR THR A . n A 1 175 TRP 175 175 175 TRP TRP A . n A 1 176 GLU 176 176 176 GLU GLU A . n A 1 177 ILE 177 177 177 ILE ILE A . n A 1 178 TYR 178 178 178 TYR TYR A . n A 1 179 VAL 179 179 179 VAL VAL A . n A 1 180 PRO 180 180 180 PRO PRO A . n A 1 181 SER 181 181 181 SER SER A . n A 1 182 GLY 182 182 182 GLY GLY A . n A 1 183 LEU 183 183 183 LEU LEU A . n A 1 184 ALA 184 184 184 ALA ALA A . n A 1 185 TYR 185 185 185 TYR TYR A . n A 1 186 GLY 186 186 186 GLY GLY A . n A 1 187 PRO 187 187 187 PRO PRO A . n A 1 188 ARG 188 188 188 ARG ARG A . n A 1 189 SER 189 189 189 SER SER A . n A 1 190 VAL 190 190 190 VAL VAL A . n A 1 191 GLY 191 191 191 GLY GLY A . n A 1 192 GLY 192 192 192 GLY GLY A . n A 1 193 PRO 193 193 193 PRO PRO A . n A 1 194 ILE 194 194 194 ILE ILE A . n A 1 195 GLY 195 195 195 GLY GLY A . n A 1 196 PRO 196 196 196 PRO PRO A . n A 1 197 ASN 197 197 197 ASN ASN A . n A 1 198 GLU 198 198 198 GLU GLU A . n A 1 199 THR 199 199 199 THR THR A . n A 1 200 LEU 200 200 200 LEU LEU A . n A 1 201 ILE 201 201 201 ILE ILE A . n A 1 202 PHE 202 202 202 PHE PHE A . n A 1 203 LYS 203 203 203 LYS LYS A . n A 1 204 ILE 204 204 204 ILE ILE A . n A 1 205 HIS 205 205 205 HIS HIS A . n A 1 206 LEU 206 206 206 LEU LEU A . n A 1 207 ILE 207 207 207 ILE ILE A . n A 1 208 SER 208 208 208 SER SER A . n A 1 209 VAL 209 209 209 VAL VAL A . n A 1 210 LYS 210 210 210 LYS LYS A . n A 1 211 LYS 211 211 211 LYS LYS A . n A 1 212 SER 212 212 212 SER SER A . n A 1 213 SER 213 213 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 ZN 1 401 401 ZN ZN A . C 2 ZN 1 402 402 ZN ZN A . D 3 HOH 1 403 213 HOH TIP A . D 3 HOH 2 404 214 HOH TIP A . D 3 HOH 3 405 215 HOH TIP A . D 3 HOH 4 406 216 HOH TIP A . D 3 HOH 5 407 217 HOH TIP A . D 3 HOH 6 408 218 HOH TIP A . D 3 HOH 7 409 219 HOH TIP A . D 3 HOH 8 410 220 HOH TIP A . D 3 HOH 9 411 221 HOH TIP A . D 3 HOH 10 412 222 HOH TIP A . D 3 HOH 11 413 223 HOH TIP A . D 3 HOH 12 414 224 HOH TIP A . D 3 HOH 13 415 225 HOH TIP A . D 3 HOH 14 416 226 HOH TIP A . D 3 HOH 15 417 227 HOH TIP A . D 3 HOH 16 418 228 HOH TIP A . D 3 HOH 17 419 229 HOH TIP A . D 3 HOH 18 420 230 HOH TIP A . D 3 HOH 19 421 231 HOH TIP A . D 3 HOH 20 422 232 HOH TIP A . D 3 HOH 21 423 234 HOH TIP A . D 3 HOH 22 424 235 HOH TIP A . D 3 HOH 23 425 236 HOH TIP A . D 3 HOH 24 426 237 HOH TIP A . D 3 HOH 25 427 238 HOH TIP A . D 3 HOH 26 428 240 HOH TIP A . D 3 HOH 27 429 241 HOH TIP A . D 3 HOH 28 430 244 HOH TIP A . D 3 HOH 29 431 246 HOH TIP A . D 3 HOH 30 432 247 HOH TIP A . D 3 HOH 31 433 248 HOH TIP A . D 3 HOH 32 434 249 HOH TIP A . D 3 HOH 33 435 250 HOH TIP A . D 3 HOH 34 436 255 HOH TIP A . D 3 HOH 35 437 256 HOH TIP A . D 3 HOH 36 438 263 HOH TIP A . D 3 HOH 37 439 264 HOH TIP A . D 3 HOH 38 440 265 HOH TIP A . D 3 HOH 39 441 267 HOH TIP A . D 3 HOH 40 442 268 HOH TIP A . D 3 HOH 41 443 270 HOH TIP A . D 3 HOH 42 444 272 HOH TIP A . D 3 HOH 43 445 273 HOH TIP A . D 3 HOH 44 446 274 HOH TIP A . D 3 HOH 45 447 276 HOH TIP A . D 3 HOH 46 448 277 HOH TIP A . D 3 HOH 47 449 278 HOH TIP A . D 3 HOH 48 450 279 HOH TIP A . D 3 HOH 49 451 280 HOH TIP A . D 3 HOH 50 452 281 HOH TIP A . D 3 HOH 51 453 282 HOH TIP A . D 3 HOH 52 454 283 HOH TIP A . D 3 HOH 53 455 285 HOH TIP A . D 3 HOH 54 456 286 HOH TIP A . D 3 HOH 55 457 287 HOH TIP A . D 3 HOH 56 458 288 HOH TIP A . D 3 HOH 57 459 290 HOH TIP A . D 3 HOH 58 460 291 HOH TIP A . D 3 HOH 59 461 292 HOH TIP A . D 3 HOH 60 462 294 HOH TIP A . D 3 HOH 61 463 296 HOH TIP A . D 3 HOH 62 464 297 HOH TIP A . D 3 HOH 63 465 298 HOH TIP A . D 3 HOH 64 466 299 HOH TIP A . D 3 HOH 65 467 300 HOH TIP A . D 3 HOH 66 468 301 HOH TIP A . D 3 HOH 67 469 302 HOH TIP A . D 3 HOH 68 470 303 HOH TIP A . D 3 HOH 69 471 305 HOH TIP A . D 3 HOH 70 472 306 HOH TIP A . D 3 HOH 71 473 307 HOH TIP A . D 3 HOH 72 474 309 HOH TIP A . D 3 HOH 73 475 310 HOH TIP A . D 3 HOH 74 476 311 HOH TIP A . D 3 HOH 75 477 312 HOH TIP A . D 3 HOH 76 478 313 HOH TIP A . D 3 HOH 77 479 314 HOH TIP A . D 3 HOH 78 480 315 HOH TIP A . D 3 HOH 79 481 316 HOH TIP A . D 3 HOH 80 482 317 HOH TIP A . D 3 HOH 81 483 318 HOH TIP A . D 3 HOH 82 484 319 HOH TIP A . D 3 HOH 83 485 320 HOH TIP A . D 3 HOH 84 486 321 HOH TIP A . D 3 HOH 85 487 323 HOH TIP A . D 3 HOH 86 488 325 HOH TIP A . D 3 HOH 87 489 326 HOH TIP A . D 3 HOH 88 490 327 HOH TIP A . D 3 HOH 89 491 328 HOH TIP A . D 3 HOH 90 492 332 HOH TIP A . D 3 HOH 91 493 333 HOH TIP A . D 3 HOH 92 494 334 HOH TIP A . D 3 HOH 93 495 336 HOH TIP A . D 3 HOH 94 496 338 HOH TIP A . D 3 HOH 95 497 339 HOH TIP A . D 3 HOH 96 498 340 HOH TIP A . # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 0 A GLU 36 ? CD ? A GLU 36 CD 2 1 Y 0 A GLU 36 ? OE1 ? A GLU 36 OE1 3 1 Y 0 A GLU 36 ? OE2 ? A GLU 36 OE2 4 1 Y 0 A GLN 43 ? CD ? A GLN 43 CD 5 1 Y 0 A GLN 43 ? OE1 ? A GLN 43 OE1 6 1 Y 0 A GLN 43 ? NE2 ? A GLN 43 NE2 7 1 Y 0 A GLU 55 ? CG ? A GLU 55 CG 8 1 Y 0 A GLU 55 ? CD ? A GLU 55 CD 9 1 Y 0 A GLU 55 ? OE1 ? A GLU 55 OE1 10 1 Y 0 A GLU 55 ? OE2 ? A GLU 55 OE2 11 1 Y 0 A LYS 59 ? CE ? A LYS 59 CE 12 1 Y 0 A LYS 59 ? NZ ? A LYS 59 NZ 13 1 Y 0 A LYS 64 ? CE ? A LYS 64 CE 14 1 Y 0 A LYS 64 ? NZ ? A LYS 64 NZ 15 1 Y 0 A ASP 68 ? CG ? A ASP 68 CG 16 1 Y 0 A ASP 68 ? OD1 ? A ASP 68 OD1 17 1 Y 0 A ASP 68 ? OD2 ? A ASP 68 OD2 18 1 Y 0 A LYS 72 ? CG ? A LYS 72 CG 19 1 Y 0 A LYS 72 ? CD ? A LYS 72 CD 20 1 Y 0 A LYS 72 ? CE ? A LYS 72 CE 21 1 Y 0 A LYS 72 ? NZ ? A LYS 72 NZ 22 1 Y 0 A LYS 96 ? CG ? A LYS 96 CG 23 1 Y 0 A LYS 96 ? CD ? A LYS 96 CD 24 1 Y 0 A LYS 96 ? CE ? A LYS 96 CE 25 1 Y 0 A LYS 96 ? NZ ? A LYS 96 NZ 26 1 Y 0 A LYS 146 ? CG ? A LYS 146 CG 27 1 Y 0 A LYS 146 ? CD ? A LYS 146 CD 28 1 Y 0 A LYS 146 ? CE ? A LYS 146 CE 29 1 Y 0 A LYS 146 ? NZ ? A LYS 146 NZ 30 1 Y 0 A LYS 149 ? CG ? A LYS 149 CG 31 1 Y 0 A LYS 149 ? CD ? A LYS 149 CD 32 1 Y 0 A LYS 149 ? CE ? A LYS 149 CE 33 1 Y 0 A LYS 149 ? NZ ? A LYS 149 NZ 34 1 Y 0 A ARG 188 ? CG ? A ARG 188 CG 35 1 Y 0 A ARG 188 ? CD ? A ARG 188 CD 36 1 Y 0 A ARG 188 ? NE ? A ARG 188 NE 37 1 Y 0 A ARG 188 ? CZ ? A ARG 188 CZ 38 1 Y 0 A ARG 188 ? NH1 ? A ARG 188 NH1 39 1 Y 0 A ARG 188 ? NH2 ? A ARG 188 NH2 # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal SHARP phasing . ? 1 CNS refinement . ? 2 DENZO 'data reduction' . ? 3 CCP4 'data scaling' '(SCALA)' ? 4 # _cell.entry_id 1FD9 _cell.length_a 80.750 _cell.length_b 80.750 _cell.length_c 103.260 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1FD9 _symmetry.space_group_name_H-M 'P 43 21 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 96 # _exptl.entry_id 1FD9 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.65 _exptl_crystal.density_percent_sol 65.0 _exptl_crystal.description ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.temp 288 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_details 'PEG 8,000, zinc acetate, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100.0 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 1998-12-02 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol MAD _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.2790 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ELETTRA BEAMLINE 5.2R' _diffrn_source.pdbx_synchrotron_site ELETTRA _diffrn_source.pdbx_synchrotron_beamline 5.2R _diffrn_source.pdbx_wavelength 1.2790 _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 1FD9 _reflns.observed_criterion_sigma_I 2.000 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 22.400 _reflns.d_resolution_high 2.410 _reflns.number_obs 13545 _reflns.number_all ? _reflns.percent_possible_obs 98.1 _reflns.pdbx_Rmerge_I_obs 0.0720000 _reflns.pdbx_Rsym_value 0.0750000 _reflns.pdbx_netI_over_sigmaI 2.7000 _reflns.B_iso_Wilson_estimate 39.6 _reflns.pdbx_redundancy 2.580 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.41 _reflns_shell.d_res_low 2.55 _reflns_shell.percent_possible_all 88.2 _reflns_shell.Rmerge_I_obs 0.1830000 _reflns_shell.pdbx_Rsym_value 0.2300000 _reflns_shell.meanI_over_sigI_obs 2.4 _reflns_shell.pdbx_redundancy 2.10 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 1FD9 _refine.ls_number_reflns_obs 13545 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.000 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 22.40 _refine.ls_d_res_high 2.41 _refine.ls_percent_reflns_obs 98.1 _refine.ls_R_factor_obs 0.2302000 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.2302000 _refine.ls_R_factor_R_free 0.2800000 _refine.ls_R_factor_R_free_error 0.009 _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 8 _refine.ls_number_reflns_R_free 1089 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean 59.6 _refine.aniso_B[1][1] 10.00 _refine.aniso_B[2][2] 10.00 _refine.aniso_B[3][3] -20.00 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'FLAT MODEL' _refine.solvent_model_param_ksol 0.370 _refine.solvent_model_param_bsol 84.82 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct MAD _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'ENGH & HUBER' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_analyze.entry_id 1FD9 _refine_analyze.Luzzati_coordinate_error_obs 0.32 _refine_analyze.Luzzati_sigma_a_obs 0.26 _refine_analyze.Luzzati_d_res_low_obs 5.00 _refine_analyze.Luzzati_coordinate_error_free 0.41 _refine_analyze.Luzzati_sigma_a_free 0.31 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1547 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 2 _refine_hist.number_atoms_solvent 96 _refine_hist.number_atoms_total 1645 _refine_hist.d_res_high 2.41 _refine_hist.d_res_low 22.40 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function c_bond_d 0.010 ? ? ? 'X-RAY DIFFRACTION' ? c_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg 1.6 ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d 22.1 ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d 0.95 ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_mcbond_it 5.34 1.50 ? ? 'X-RAY DIFFRACTION' ? c_mcangle_it 6.97 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scbond_it 7.60 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scangle_it 9.29 2.50 ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.d_res_high 2.40 _refine_ls_shell.d_res_low 2.55 _refine_ls_shell.number_reflns_R_work 1833 _refine_ls_shell.R_factor_R_work 0.2570000 _refine_ls_shell.percent_reflns_obs 88.2 _refine_ls_shell.R_factor_R_free 0.3030000 _refine_ls_shell.R_factor_R_free_error .024 _refine_ls_shell.percent_reflns_R_free 8.1 _refine_ls_shell.number_reflns_R_free 161 _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.R_factor_all ? # loop_ _pdbx_xplor_file.serial_no _pdbx_xplor_file.param_file _pdbx_xplor_file.topol_file _pdbx_xplor_file.pdbx_refine_id 1 PROTEIN_REP.PARAM PROTEIN.TOP 'X-RAY DIFFRACTION' 2 WATER.PARAM WATER.TOP 'X-RAY DIFFRACTION' 3 PARAM_NEW.ION TOPH_NEW.ION 'X-RAY DIFFRACTION' # _database_PDB_matrix.entry_id 1FD9 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _struct.entry_id 1FD9 _struct.title 'CRYSTAL STRUCTURE OF THE MACROPHAGE INFECTIVITY POTENTIATOR PROTEIN (MIP) A MAJOR VIRULENCE FACTOR FROM LEGIONELLA PNEUMOPHILA' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1FD9 _struct_keywords.pdbx_keywords ISOMERASE _struct_keywords.text 'FKBP DOMAIN, LONG ALPHA HELIX, DIMERISATION VIA HELICAL INTERACTIONS, ISOMERASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code MIP_LEGPN _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession P69059 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1FD9 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 213 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P69059 _struct_ref_seq.db_align_beg 21 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 233 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 213 # _struct_ref_seq_dif.align_id 1 _struct_ref_seq_dif.pdbx_pdb_id_code 1FD9 _struct_ref_seq_dif.mon_id SER _struct_ref_seq_dif.pdbx_pdb_strand_id A _struct_ref_seq_dif.seq_num 115 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code P69059 _struct_ref_seq_dif.db_mon_id ALA _struct_ref_seq_dif.pdbx_seq_db_seq_num 135 _struct_ref_seq_dif.details conflict _struct_ref_seq_dif.pdbx_auth_seq_num 115 _struct_ref_seq_dif.pdbx_ordinal 1 # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA,PQS _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 3900 ? 1 MORE -131 ? 1 'SSA (A^2)' 22940 ? # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 8_665 -y+1,-x+1,-z+1/2 0.0000000000 -1.0000000000 0.0000000000 80.7500000000 -1.0000000000 0.0000000000 0.0000000000 80.7500000000 0.0000000000 0.0000000000 -1.0000000000 51.6300000000 # _struct_biol.id 1 _struct_biol.pdbx_parent_biol_id ? _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 THR A 9 ? GLY A 30 ? THR A 9 GLY A 30 1 ? 22 HELX_P HELX_P2 2 ASN A 34 ? GLY A 48 ? ASN A 34 GLY A 48 1 ? 15 HELX_P HELX_P3 3 THR A 54 ? LYS A 98 ? THR A 54 LYS A 98 1 ? 45 HELX_P HELX_P4 4 THR A 144 ? GLY A 148 ? THR A 144 GLY A 148 1 ? 5 HELX_P HELX_P5 5 SER A 156 ? VAL A 158 ? SER A 156 VAL A 158 5 ? 3 HELX_P HELX_P6 6 ILE A 159 ? GLN A 167 ? ILE A 159 GLN A 167 1 ? 9 HELX_P HELX_P7 7 PRO A 180 ? ALA A 184 ? PRO A 180 ALA A 184 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order _struct_conn.pdbx_role metalc1 metalc ? ? A GLU 130 OE2 ? ? ? 1_555 B ZN . ZN ? ? A GLU 130 A ZN 401 1_555 ? ? ? ? ? ? ? 2.238 ? ? metalc2 metalc ? ? A GLU 164 OE1 ? ? ? 3_654 C ZN . ZN ? ? A GLU 164 A ZN 402 1_555 ? ? ? ? ? ? ? 2.716 ? ? metalc3 metalc ? ? A GLU 164 OE2 ? ? ? 3_654 C ZN . ZN ? ? A GLU 164 A ZN 402 1_555 ? ? ? ? ? ? ? 2.443 ? ? metalc4 metalc ? ? A HIS 205 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 205 A ZN 402 1_555 ? ? ? ? ? ? ? 2.256 ? ? metalc5 metalc ? ? B ZN . ZN ? ? ? 1_555 D HOH . O ? ? A ZN 401 A HOH 404 1_555 ? ? ? ? ? ? ? 2.076 ? ? metalc6 metalc ? ? B ZN . ZN ? ? ? 1_555 D HOH . O ? ? A ZN 401 A HOH 405 1_555 ? ? ? ? ? ? ? 2.650 ? ? metalc7 metalc ? ? B ZN . ZN ? ? ? 1_555 D HOH . O ? ? A ZN 401 A HOH 406 1_555 ? ? ? ? ? ? ? 2.412 ? ? metalc8 metalc ? ? C ZN . ZN ? ? ? 1_555 D HOH . O ? ? A ZN 402 A HOH 403 1_555 ? ? ? ? ? ? ? 2.404 ? ? # _struct_conn_type.id metalc _struct_conn_type.criteria ? _struct_conn_type.reference ? # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OE2 ? A GLU 130 ? A GLU 130 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? D HOH . ? A HOH 404 ? 1_555 90.6 ? 2 OE2 ? A GLU 130 ? A GLU 130 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? D HOH . ? A HOH 405 ? 1_555 115.5 ? 3 O ? D HOH . ? A HOH 404 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? D HOH . ? A HOH 405 ? 1_555 105.9 ? 4 OE2 ? A GLU 130 ? A GLU 130 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? D HOH . ? A HOH 406 ? 1_555 105.4 ? 5 O ? D HOH . ? A HOH 404 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? D HOH . ? A HOH 406 ? 1_555 132.4 ? 6 O ? D HOH . ? A HOH 405 ? 1_555 ZN ? B ZN . ? A ZN 401 ? 1_555 O ? D HOH . ? A HOH 406 ? 1_555 106.8 ? 7 OE1 ? A GLU 164 ? A GLU 164 ? 3_654 ZN ? C ZN . ? A ZN 402 ? 1_555 OE2 ? A GLU 164 ? A GLU 164 ? 3_654 50.0 ? 8 OE1 ? A GLU 164 ? A GLU 164 ? 3_654 ZN ? C ZN . ? A ZN 402 ? 1_555 NE2 ? A HIS 205 ? A HIS 205 ? 1_555 140.1 ? 9 OE2 ? A GLU 164 ? A GLU 164 ? 3_654 ZN ? C ZN . ? A ZN 402 ? 1_555 NE2 ? A HIS 205 ? A HIS 205 ? 1_555 91.1 ? 10 OE1 ? A GLU 164 ? A GLU 164 ? 3_654 ZN ? C ZN . ? A ZN 402 ? 1_555 O ? D HOH . ? A HOH 403 ? 1_555 89.6 ? 11 OE2 ? A GLU 164 ? A GLU 164 ? 3_654 ZN ? C ZN . ? A ZN 402 ? 1_555 O ? D HOH . ? A HOH 403 ? 1_555 110.4 ? 12 NE2 ? A HIS 205 ? A HIS 205 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O ? D HOH . ? A HOH 403 ? 1_555 97.9 ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 6 ? B ? 6 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? anti-parallel B 5 6 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 101 ? VAL A 103 ? VAL A 101 VAL A 103 A 2 GLN A 109 ? ASN A 114 ? GLN A 109 ASN A 114 A 3 THR A 174 ? VAL A 179 ? THR A 174 VAL A 179 A 4 LEU A 200 ? LYS A 210 ? LEU A 200 LYS A 210 A 5 THR A 126 ? LEU A 135 ? THR A 126 LEU A 135 A 6 VAL A 140 ? SER A 143 ? VAL A 140 SER A 143 B 1 VAL A 101 ? VAL A 103 ? VAL A 101 VAL A 103 B 2 GLN A 109 ? ASN A 114 ? GLN A 109 ASN A 114 B 3 THR A 174 ? VAL A 179 ? THR A 174 VAL A 179 B 4 LEU A 200 ? LYS A 210 ? LEU A 200 LYS A 210 B 5 THR A 126 ? LEU A 135 ? THR A 126 LEU A 135 B 6 ALA A 151 ? GLN A 154 ? ALA A 151 GLN A 154 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N VAL A 102 ? N VAL A 102 O TYR A 110 ? O TYR A 110 A 2 3 O ASN A 114 ? O ASN A 114 N THR A 174 ? N THR A 174 A 3 4 N VAL A 179 ? N VAL A 179 O LEU A 200 ? O LEU A 200 A 4 5 N LYS A 210 ? N LYS A 210 O THR A 126 ? O THR A 126 A 5 6 O GLY A 133 ? O GLY A 133 N PHE A 141 ? N PHE A 141 B 1 2 N VAL A 102 ? N VAL A 102 O TYR A 110 ? O TYR A 110 B 2 3 O ASN A 114 ? O ASN A 114 N THR A 174 ? N THR A 174 B 3 4 N VAL A 179 ? N VAL A 179 O LEU A 200 ? O LEU A 200 B 4 5 N LYS A 210 ? N LYS A 210 O THR A 126 ? O THR A 126 B 5 6 N VAL A 129 ? N VAL A 129 O ALA A 151 ? O ALA A 151 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A ZN 401 ? 4 'BINDING SITE FOR RESIDUE ZN A 401' AC2 Software A ZN 402 ? 4 'BINDING SITE FOR RESIDUE ZN A 402' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 4 GLU A 130 ? GLU A 130 . ? 1_555 ? 2 AC1 4 HOH D . ? HOH A 404 . ? 1_555 ? 3 AC1 4 HOH D . ? HOH A 405 . ? 1_555 ? 4 AC1 4 HOH D . ? HOH A 406 . ? 1_555 ? 5 AC2 4 GLU A 164 ? GLU A 164 . ? 3_654 ? 6 AC2 4 HIS A 205 ? HIS A 205 . ? 1_555 ? 7 AC2 4 HOH D . ? HOH A 403 . ? 1_555 ? 8 AC2 4 HOH D . ? HOH A 406 . ? 1_555 ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 OG1 A THR 126 ? ? O A HOH 438 ? ? 1.95 2 1 O A HOH 429 ? ? O A HOH 491 ? ? 1.96 3 1 O A HOH 429 ? ? O A HOH 492 ? ? 2.03 4 1 O A SER 212 ? ? O A HOH 473 ? ? 2.14 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 GLN A 29 ? ? -90.58 -76.34 2 1 ILE A 31 ? ? -69.40 82.30 3 1 PRO A 35 ? ? -55.09 0.74 4 1 ALA A 52 ? ? -55.06 -7.57 5 1 GLU A 55 ? ? -29.31 -55.29 6 1 GLN A 56 ? ? -49.58 -73.55 7 1 GLN A 57 ? ? -23.60 -60.45 8 1 LYS A 98 ? ? -37.40 143.37 9 1 ALA A 184 ? ? -114.31 -113.26 10 1 SER A 189 ? ? 150.38 71.04 11 1 VAL A 190 ? ? -98.07 36.56 12 1 LYS A 211 ? ? -67.57 41.49 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A ALA 1 ? A ALA 1 2 1 Y 1 A THR 2 ? A THR 2 3 1 Y 1 A ASP 3 ? A ASP 3 4 1 Y 1 A ALA 4 ? A ALA 4 5 1 Y 1 A THR 5 ? A THR 5 6 1 Y 1 A SER 6 ? A SER 6 7 1 Y 1 A LEU 7 ? A LEU 7 8 1 Y 1 A ALA 8 ? A ALA 8 9 1 Y 1 A SER 213 ? A SER 213 # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.pdbx_ordinal ALA N N N N 1 ALA CA C N S 2 ALA C C N N 3 ALA O O N N 4 ALA CB C N N 5 ALA OXT O N N 6 ALA H H N N 7 ALA H2 H N N 8 ALA HA H N N 9 ALA HB1 H N N 10 ALA HB2 H N N 11 ALA HB3 H N N 12 ALA HXT H N N 13 ARG N N N N 14 ARG CA C N S 15 ARG C C N N 16 ARG O O N N 17 ARG CB C N N 18 ARG CG C N N 19 ARG CD C N N 20 ARG NE N N N 21 ARG CZ C N N 22 ARG NH1 N N N 23 ARG NH2 N N N 24 ARG OXT O N N 25 ARG H H N N 26 ARG H2 H N N 27 ARG HA H N N 28 ARG HB2 H N N 29 ARG HB3 H N N 30 ARG HG2 H N N 31 ARG HG3 H N N 32 ARG HD2 H N N 33 ARG HD3 H N N 34 ARG HE H N N 35 ARG HH11 H N N 36 ARG HH12 H N N 37 ARG HH21 H N N 38 ARG HH22 H N N 39 ARG HXT H N N 40 ASN N N N N 41 ASN CA C N S 42 ASN C C N N 43 ASN O O N N 44 ASN CB C N N 45 ASN CG C N N 46 ASN OD1 O N N 47 ASN ND2 N N N 48 ASN OXT O N N 49 ASN H H N N 50 ASN H2 H N N 51 ASN HA H N N 52 ASN HB2 H N N 53 ASN HB3 H N N 54 ASN HD21 H N N 55 ASN HD22 H N N 56 ASN HXT H N N 57 ASP N N N N 58 ASP CA C N S 59 ASP C C N N 60 ASP O O N N 61 ASP CB C N N 62 ASP CG C N N 63 ASP OD1 O N N 64 ASP OD2 O N N 65 ASP OXT O N N 66 ASP H H N N 67 ASP H2 H N N 68 ASP HA H N N 69 ASP HB2 H N N 70 ASP HB3 H N N 71 ASP HD2 H N N 72 ASP HXT H N N 73 GLN N N N N 74 GLN CA C N S 75 GLN C C N N 76 GLN O O N N 77 GLN CB C N N 78 GLN CG C N N 79 GLN CD C N N 80 GLN OE1 O N N 81 GLN NE2 N N N 82 GLN OXT O N N 83 GLN H H N N 84 GLN H2 H N N 85 GLN HA H N N 86 GLN HB2 H N N 87 GLN HB3 H N N 88 GLN HG2 H N N 89 GLN HG3 H N N 90 GLN HE21 H N N 91 GLN HE22 H N N 92 GLN HXT H N N 93 GLU N N N N 94 GLU CA C N S 95 GLU C C N N 96 GLU O O N N 97 GLU CB C N N 98 GLU CG C N N 99 GLU CD C N N 100 GLU OE1 O N N 101 GLU OE2 O N N 102 GLU OXT O N N 103 GLU H H N N 104 GLU H2 H N N 105 GLU HA H N N 106 GLU HB2 H N N 107 GLU HB3 H N N 108 GLU HG2 H N N 109 GLU HG3 H N N 110 GLU HE2 H N N 111 GLU HXT H N N 112 GLY N N N N 113 GLY CA C N N 114 GLY C C N N 115 GLY O O N N 116 GLY OXT O N N 117 GLY H H N N 118 GLY H2 H N N 119 GLY HA2 H N N 120 GLY HA3 H N N 121 GLY HXT H N N 122 HIS N N N N 123 HIS CA C N S 124 HIS C C N N 125 HIS O O N N 126 HIS CB C N N 127 HIS CG C Y N 128 HIS ND1 N Y N 129 HIS CD2 C Y N 130 HIS CE1 C Y N 131 HIS NE2 N Y N 132 HIS OXT O N N 133 HIS H H N N 134 HIS H2 H N N 135 HIS HA H N N 136 HIS HB2 H N N 137 HIS HB3 H N N 138 HIS HD1 H N N 139 HIS HD2 H N N 140 HIS HE1 H N N 141 HIS HE2 H N N 142 HIS HXT H N N 143 HOH O O N N 144 HOH H1 H N N 145 HOH H2 H N N 146 ILE N N N N 147 ILE CA C N S 148 ILE C C N N 149 ILE O O N N 150 ILE CB C N S 151 ILE CG1 C N N 152 ILE CG2 C N N 153 ILE CD1 C N N 154 ILE OXT O N N 155 ILE H H N N 156 ILE H2 H N N 157 ILE HA H N N 158 ILE HB H N N 159 ILE HG12 H N N 160 ILE HG13 H N N 161 ILE HG21 H N N 162 ILE HG22 H N N 163 ILE HG23 H N N 164 ILE HD11 H N N 165 ILE HD12 H N N 166 ILE HD13 H N N 167 ILE HXT H N N 168 LEU N N N N 169 LEU CA C N S 170 LEU C C N N 171 LEU O O N N 172 LEU CB C N N 173 LEU CG C N N 174 LEU CD1 C N N 175 LEU CD2 C N N 176 LEU OXT O N N 177 LEU H H N N 178 LEU H2 H N N 179 LEU HA H N N 180 LEU HB2 H N N 181 LEU HB3 H N N 182 LEU HG H N N 183 LEU HD11 H N N 184 LEU HD12 H N N 185 LEU HD13 H N N 186 LEU HD21 H N N 187 LEU HD22 H N N 188 LEU HD23 H N N 189 LEU HXT H N N 190 LYS N N N N 191 LYS CA C N S 192 LYS C C N N 193 LYS O O N N 194 LYS CB C N N 195 LYS CG C N N 196 LYS CD C N N 197 LYS CE C N N 198 LYS NZ N N N 199 LYS OXT O N N 200 LYS H H N N 201 LYS H2 H N N 202 LYS HA H N N 203 LYS HB2 H N N 204 LYS HB3 H N N 205 LYS HG2 H N N 206 LYS HG3 H N N 207 LYS HD2 H N N 208 LYS HD3 H N N 209 LYS HE2 H N N 210 LYS HE3 H N N 211 LYS HZ1 H N N 212 LYS HZ2 H N N 213 LYS HZ3 H N N 214 LYS HXT H N N 215 MET N N N N 216 MET CA C N S 217 MET C C N N 218 MET O O N N 219 MET CB C N N 220 MET CG C N N 221 MET SD S N N 222 MET CE C N N 223 MET OXT O N N 224 MET H H N N 225 MET H2 H N N 226 MET HA H N N 227 MET HB2 H N N 228 MET HB3 H N N 229 MET HG2 H N N 230 MET HG3 H N N 231 MET HE1 H N N 232 MET HE2 H N N 233 MET HE3 H N N 234 MET HXT H N N 235 PHE N N N N 236 PHE CA C N S 237 PHE C C N N 238 PHE O O N N 239 PHE CB C N N 240 PHE CG C Y N 241 PHE CD1 C Y N 242 PHE CD2 C Y N 243 PHE CE1 C Y N 244 PHE CE2 C Y N 245 PHE CZ C Y N 246 PHE OXT O N N 247 PHE H H N N 248 PHE H2 H N N 249 PHE HA H N N 250 PHE HB2 H N N 251 PHE HB3 H N N 252 PHE HD1 H N N 253 PHE HD2 H N N 254 PHE HE1 H N N 255 PHE HE2 H N N 256 PHE HZ H N N 257 PHE HXT H N N 258 PRO N N N N 259 PRO CA C N S 260 PRO C C N N 261 PRO O O N N 262 PRO CB C N N 263 PRO CG C N N 264 PRO CD C N N 265 PRO OXT O N N 266 PRO H H N N 267 PRO HA H N N 268 PRO HB2 H N N 269 PRO HB3 H N N 270 PRO HG2 H N N 271 PRO HG3 H N N 272 PRO HD2 H N N 273 PRO HD3 H N N 274 PRO HXT H N N 275 SER N N N N 276 SER CA C N S 277 SER C C N N 278 SER O O N N 279 SER CB C N N 280 SER OG O N N 281 SER OXT O N N 282 SER H H N N 283 SER H2 H N N 284 SER HA H N N 285 SER HB2 H N N 286 SER HB3 H N N 287 SER HG H N N 288 SER HXT H N N 289 THR N N N N 290 THR CA C N S 291 THR C C N N 292 THR O O N N 293 THR CB C N R 294 THR OG1 O N N 295 THR CG2 C N N 296 THR OXT O N N 297 THR H H N N 298 THR H2 H N N 299 THR HA H N N 300 THR HB H N N 301 THR HG1 H N N 302 THR HG21 H N N 303 THR HG22 H N N 304 THR HG23 H N N 305 THR HXT H N N 306 TRP N N N N 307 TRP CA C N S 308 TRP C C N N 309 TRP O O N N 310 TRP CB C N N 311 TRP CG C Y N 312 TRP CD1 C Y N 313 TRP CD2 C Y N 314 TRP NE1 N Y N 315 TRP CE2 C Y N 316 TRP CE3 C Y N 317 TRP CZ2 C Y N 318 TRP CZ3 C Y N 319 TRP CH2 C Y N 320 TRP OXT O N N 321 TRP H H N N 322 TRP H2 H N N 323 TRP HA H N N 324 TRP HB2 H N N 325 TRP HB3 H N N 326 TRP HD1 H N N 327 TRP HE1 H N N 328 TRP HE3 H N N 329 TRP HZ2 H N N 330 TRP HZ3 H N N 331 TRP HH2 H N N 332 TRP HXT H N N 333 TYR N N N N 334 TYR CA C N S 335 TYR C C N N 336 TYR O O N N 337 TYR CB C N N 338 TYR CG C Y N 339 TYR CD1 C Y N 340 TYR CD2 C Y N 341 TYR CE1 C Y N 342 TYR CE2 C Y N 343 TYR CZ C Y N 344 TYR OH O N N 345 TYR OXT O N N 346 TYR H H N N 347 TYR H2 H N N 348 TYR HA H N N 349 TYR HB2 H N N 350 TYR HB3 H N N 351 TYR HD1 H N N 352 TYR HD2 H N N 353 TYR HE1 H N N 354 TYR HE2 H N N 355 TYR HH H N N 356 TYR HXT H N N 357 VAL N N N N 358 VAL CA C N S 359 VAL C C N N 360 VAL O O N N 361 VAL CB C N N 362 VAL CG1 C N N 363 VAL CG2 C N N 364 VAL OXT O N N 365 VAL H H N N 366 VAL H2 H N N 367 VAL HA H N N 368 VAL HB H N N 369 VAL HG11 H N N 370 VAL HG12 H N N 371 VAL HG13 H N N 372 VAL HG21 H N N 373 VAL HG22 H N N 374 VAL HG23 H N N 375 VAL HXT H N N 376 ZN ZN ZN N N 377 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal ALA N CA sing N N 1 ALA N H sing N N 2 ALA N H2 sing N N 3 ALA CA C sing N N 4 ALA CA CB sing N N 5 ALA CA HA sing N N 6 ALA C O doub N N 7 ALA C OXT sing N N 8 ALA CB HB1 sing N N 9 ALA CB HB2 sing N N 10 ALA CB HB3 sing N N 11 ALA OXT HXT sing N N 12 ARG N CA sing N N 13 ARG N H sing N N 14 ARG N H2 sing N N 15 ARG CA C sing N N 16 ARG CA CB sing N N 17 ARG CA HA sing N N 18 ARG C O doub N N 19 ARG C OXT sing N N 20 ARG CB CG sing N N 21 ARG CB HB2 sing N N 22 ARG CB HB3 sing N N 23 ARG CG CD sing N N 24 ARG CG HG2 sing N N 25 ARG CG HG3 sing N N 26 ARG CD NE sing N N 27 ARG CD HD2 sing N N 28 ARG CD HD3 sing N N 29 ARG NE CZ sing N N 30 ARG NE HE sing N N 31 ARG CZ NH1 sing N N 32 ARG CZ NH2 doub N N 33 ARG NH1 HH11 sing N N 34 ARG NH1 HH12 sing N N 35 ARG NH2 HH21 sing N N 36 ARG NH2 HH22 sing N N 37 ARG OXT HXT sing N N 38 ASN N CA sing N N 39 ASN N H sing N N 40 ASN N H2 sing N N 41 ASN CA C sing N N 42 ASN CA CB sing N N 43 ASN CA HA sing N N 44 ASN C O doub N N 45 ASN C OXT sing N N 46 ASN CB CG sing N N 47 ASN CB HB2 sing N N 48 ASN CB HB3 sing N N 49 ASN CG OD1 doub N N 50 ASN CG ND2 sing N N 51 ASN ND2 HD21 sing N N 52 ASN ND2 HD22 sing N N 53 ASN OXT HXT sing N N 54 ASP N CA sing N N 55 ASP N H sing N N 56 ASP N H2 sing N N 57 ASP CA C sing N N 58 ASP CA CB sing N N 59 ASP CA HA sing N N 60 ASP C O doub N N 61 ASP C OXT sing N N 62 ASP CB CG sing N N 63 ASP CB HB2 sing N N 64 ASP CB HB3 sing N N 65 ASP CG OD1 doub N N 66 ASP CG OD2 sing N N 67 ASP OD2 HD2 sing N N 68 ASP OXT HXT sing N N 69 GLN N CA sing N N 70 GLN N H sing N N 71 GLN N H2 sing N N 72 GLN CA C sing N N 73 GLN CA CB sing N N 74 GLN CA HA sing N N 75 GLN C O doub N N 76 GLN C OXT sing N N 77 GLN CB CG sing N N 78 GLN CB HB2 sing N N 79 GLN CB HB3 sing N N 80 GLN CG CD sing N N 81 GLN CG HG2 sing N N 82 GLN CG HG3 sing N N 83 GLN CD OE1 doub N N 84 GLN CD NE2 sing N N 85 GLN NE2 HE21 sing N N 86 GLN NE2 HE22 sing N N 87 GLN OXT HXT sing N N 88 GLU N CA sing N N 89 GLU N H sing N N 90 GLU N H2 sing N N 91 GLU CA C sing N N 92 GLU CA CB sing N N 93 GLU CA HA sing N N 94 GLU C O doub N N 95 GLU C OXT sing N N 96 GLU CB CG sing N N 97 GLU CB HB2 sing N N 98 GLU CB HB3 sing N N 99 GLU CG CD sing N N 100 GLU CG HG2 sing N N 101 GLU CG HG3 sing N N 102 GLU CD OE1 doub N N 103 GLU CD OE2 sing N N 104 GLU OE2 HE2 sing N N 105 GLU OXT HXT sing N N 106 GLY N CA sing N N 107 GLY N H sing N N 108 GLY N H2 sing N N 109 GLY CA C sing N N 110 GLY CA HA2 sing N N 111 GLY CA HA3 sing N N 112 GLY C O doub N N 113 GLY C OXT sing N N 114 GLY OXT HXT sing N N 115 HIS N CA sing N N 116 HIS N H sing N N 117 HIS N H2 sing N N 118 HIS CA C sing N N 119 HIS CA CB sing N N 120 HIS CA HA sing N N 121 HIS C O doub N N 122 HIS C OXT sing N N 123 HIS CB CG sing N N 124 HIS CB HB2 sing N N 125 HIS CB HB3 sing N N 126 HIS CG ND1 sing Y N 127 HIS CG CD2 doub Y N 128 HIS ND1 CE1 doub Y N 129 HIS ND1 HD1 sing N N 130 HIS CD2 NE2 sing Y N 131 HIS CD2 HD2 sing N N 132 HIS CE1 NE2 sing Y N 133 HIS CE1 HE1 sing N N 134 HIS NE2 HE2 sing N N 135 HIS OXT HXT sing N N 136 HOH O H1 sing N N 137 HOH O H2 sing N N 138 ILE N CA sing N N 139 ILE N H sing N N 140 ILE N H2 sing N N 141 ILE CA C sing N N 142 ILE CA CB sing N N 143 ILE CA HA sing N N 144 ILE C O doub N N 145 ILE C OXT sing N N 146 ILE CB CG1 sing N N 147 ILE CB CG2 sing N N 148 ILE CB HB sing N N 149 ILE CG1 CD1 sing N N 150 ILE CG1 HG12 sing N N 151 ILE CG1 HG13 sing N N 152 ILE CG2 HG21 sing N N 153 ILE CG2 HG22 sing N N 154 ILE CG2 HG23 sing N N 155 ILE CD1 HD11 sing N N 156 ILE CD1 HD12 sing N N 157 ILE CD1 HD13 sing N N 158 ILE OXT HXT sing N N 159 LEU N CA sing N N 160 LEU N H sing N N 161 LEU N H2 sing N N 162 LEU CA C sing N N 163 LEU CA CB sing N N 164 LEU CA HA sing N N 165 LEU C O doub N N 166 LEU C OXT sing N N 167 LEU CB CG sing N N 168 LEU CB HB2 sing N N 169 LEU CB HB3 sing N N 170 LEU CG CD1 sing N N 171 LEU CG CD2 sing N N 172 LEU CG HG sing N N 173 LEU CD1 HD11 sing N N 174 LEU CD1 HD12 sing N N 175 LEU CD1 HD13 sing N N 176 LEU CD2 HD21 sing N N 177 LEU CD2 HD22 sing N N 178 LEU CD2 HD23 sing N N 179 LEU OXT HXT sing N N 180 LYS N CA sing N N 181 LYS N H sing N N 182 LYS N H2 sing N N 183 LYS CA C sing N N 184 LYS CA CB sing N N 185 LYS CA HA sing N N 186 LYS C O doub N N 187 LYS C OXT sing N N 188 LYS CB CG sing N N 189 LYS CB HB2 sing N N 190 LYS CB HB3 sing N N 191 LYS CG CD sing N N 192 LYS CG HG2 sing N N 193 LYS CG HG3 sing N N 194 LYS CD CE sing N N 195 LYS CD HD2 sing N N 196 LYS CD HD3 sing N N 197 LYS CE NZ sing N N 198 LYS CE HE2 sing N N 199 LYS CE HE3 sing N N 200 LYS NZ HZ1 sing N N 201 LYS NZ HZ2 sing N N 202 LYS NZ HZ3 sing N N 203 LYS OXT HXT sing N N 204 MET N CA sing N N 205 MET N H sing N N 206 MET N H2 sing N N 207 MET CA C sing N N 208 MET CA CB sing N N 209 MET CA HA sing N N 210 MET C O doub N N 211 MET C OXT sing N N 212 MET CB CG sing N N 213 MET CB HB2 sing N N 214 MET CB HB3 sing N N 215 MET CG SD sing N N 216 MET CG HG2 sing N N 217 MET CG HG3 sing N N 218 MET SD CE sing N N 219 MET CE HE1 sing N N 220 MET CE HE2 sing N N 221 MET CE HE3 sing N N 222 MET OXT HXT sing N N 223 PHE N CA sing N N 224 PHE N H sing N N 225 PHE N H2 sing N N 226 PHE CA C sing N N 227 PHE CA CB sing N N 228 PHE CA HA sing N N 229 PHE C O doub N N 230 PHE C OXT sing N N 231 PHE CB CG sing N N 232 PHE CB HB2 sing N N 233 PHE CB HB3 sing N N 234 PHE CG CD1 doub Y N 235 PHE CG CD2 sing Y N 236 PHE CD1 CE1 sing Y N 237 PHE CD1 HD1 sing N N 238 PHE CD2 CE2 doub Y N 239 PHE CD2 HD2 sing N N 240 PHE CE1 CZ doub Y N 241 PHE CE1 HE1 sing N N 242 PHE CE2 CZ sing Y N 243 PHE CE2 HE2 sing N N 244 PHE CZ HZ sing N N 245 PHE OXT HXT sing N N 246 PRO N CA sing N N 247 PRO N CD sing N N 248 PRO N H sing N N 249 PRO CA C sing N N 250 PRO CA CB sing N N 251 PRO CA HA sing N N 252 PRO C O doub N N 253 PRO C OXT sing N N 254 PRO CB CG sing N N 255 PRO CB HB2 sing N N 256 PRO CB HB3 sing N N 257 PRO CG CD sing N N 258 PRO CG HG2 sing N N 259 PRO CG HG3 sing N N 260 PRO CD HD2 sing N N 261 PRO CD HD3 sing N N 262 PRO OXT HXT sing N N 263 SER N CA sing N N 264 SER N H sing N N 265 SER N H2 sing N N 266 SER CA C sing N N 267 SER CA CB sing N N 268 SER CA HA sing N N 269 SER C O doub N N 270 SER C OXT sing N N 271 SER CB OG sing N N 272 SER CB HB2 sing N N 273 SER CB HB3 sing N N 274 SER OG HG sing N N 275 SER OXT HXT sing N N 276 THR N CA sing N N 277 THR N H sing N N 278 THR N H2 sing N N 279 THR CA C sing N N 280 THR CA CB sing N N 281 THR CA HA sing N N 282 THR C O doub N N 283 THR C OXT sing N N 284 THR CB OG1 sing N N 285 THR CB CG2 sing N N 286 THR CB HB sing N N 287 THR OG1 HG1 sing N N 288 THR CG2 HG21 sing N N 289 THR CG2 HG22 sing N N 290 THR CG2 HG23 sing N N 291 THR OXT HXT sing N N 292 TRP N CA sing N N 293 TRP N H sing N N 294 TRP N H2 sing N N 295 TRP CA C sing N N 296 TRP CA CB sing N N 297 TRP CA HA sing N N 298 TRP C O doub N N 299 TRP C OXT sing N N 300 TRP CB CG sing N N 301 TRP CB HB2 sing N N 302 TRP CB HB3 sing N N 303 TRP CG CD1 doub Y N 304 TRP CG CD2 sing Y N 305 TRP CD1 NE1 sing Y N 306 TRP CD1 HD1 sing N N 307 TRP CD2 CE2 doub Y N 308 TRP CD2 CE3 sing Y N 309 TRP NE1 CE2 sing Y N 310 TRP NE1 HE1 sing N N 311 TRP CE2 CZ2 sing Y N 312 TRP CE3 CZ3 doub Y N 313 TRP CE3 HE3 sing N N 314 TRP CZ2 CH2 doub Y N 315 TRP CZ2 HZ2 sing N N 316 TRP CZ3 CH2 sing Y N 317 TRP CZ3 HZ3 sing N N 318 TRP CH2 HH2 sing N N 319 TRP OXT HXT sing N N 320 TYR N CA sing N N 321 TYR N H sing N N 322 TYR N H2 sing N N 323 TYR CA C sing N N 324 TYR CA CB sing N N 325 TYR CA HA sing N N 326 TYR C O doub N N 327 TYR C OXT sing N N 328 TYR CB CG sing N N 329 TYR CB HB2 sing N N 330 TYR CB HB3 sing N N 331 TYR CG CD1 doub Y N 332 TYR CG CD2 sing Y N 333 TYR CD1 CE1 sing Y N 334 TYR CD1 HD1 sing N N 335 TYR CD2 CE2 doub Y N 336 TYR CD2 HD2 sing N N 337 TYR CE1 CZ doub Y N 338 TYR CE1 HE1 sing N N 339 TYR CE2 CZ sing Y N 340 TYR CE2 HE2 sing N N 341 TYR CZ OH sing N N 342 TYR OH HH sing N N 343 TYR OXT HXT sing N N 344 VAL N CA sing N N 345 VAL N H sing N N 346 VAL N H2 sing N N 347 VAL CA C sing N N 348 VAL CA CB sing N N 349 VAL CA HA sing N N 350 VAL C O doub N N 351 VAL C OXT sing N N 352 VAL CB CG1 sing N N 353 VAL CB CG2 sing N N 354 VAL CB HB sing N N 355 VAL CG1 HG11 sing N N 356 VAL CG1 HG12 sing N N 357 VAL CG1 HG13 sing N N 358 VAL CG2 HG21 sing N N 359 VAL CG2 HG22 sing N N 360 VAL CG2 HG23 sing N N 361 VAL OXT HXT sing N N 362 # _atom_sites.entry_id 1FD9 _atom_sites.fract_transf_matrix[1][1] 0.012384 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.012384 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.009684 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S ZN # 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.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . THR A 1 9 ? 54.633 22.931 8.841 1.00 100.38 ? 9 THR A N 1 ATOM 2 C CA . THR A 1 9 ? 53.356 23.092 8.086 1.00 100.38 ? 9 THR A CA 1 ATOM 3 C C . THR A 1 9 ? 52.617 24.356 8.528 1.00 100.38 ? 9 THR A C 1 ATOM 4 O O . THR A 1 9 ? 53.053 25.041 9.461 1.00 92.67 ? 9 THR A O 1 ATOM 5 C CB . THR A 1 9 ? 52.429 21.858 8.279 1.00 100.38 ? 9 THR A CB 1 ATOM 6 O OG1 . THR A 1 9 ? 52.151 21.667 9.674 1.00 100.38 ? 9 THR A OG1 1 ATOM 7 C CG2 . THR A 1 9 ? 53.100 20.601 7.729 1.00 98.59 ? 9 THR A CG2 1 ATOM 8 N N . ASP A 1 10 ? 51.501 24.652 7.855 1.00 100.38 ? 10 ASP A N 1 ATOM 9 C CA . ASP A 1 10 ? 50.681 25.845 8.135 1.00 100.38 ? 10 ASP A CA 1 ATOM 10 C C . ASP A 1 10 ? 50.306 25.956 9.612 1.00 97.01 ? 10 ASP A C 1 ATOM 11 O O . ASP A 1 10 ? 50.215 27.064 10.173 1.00 75.33 ? 10 ASP A O 1 ATOM 12 C CB . ASP A 1 10 ? 49.418 25.831 7.256 1.00 100.32 ? 10 ASP A CB 1 ATOM 13 C CG . ASP A 1 10 ? 49.748 25.826 5.760 1.00 100.38 ? 10 ASP A CG 1 ATOM 14 O OD1 . ASP A 1 10 ? 50.341 24.835 5.281 1.00 100.38 ? 10 ASP A OD1 1 ATOM 15 O OD2 . ASP A 1 10 ? 49.426 26.809 5.061 1.00 82.62 ? 10 ASP A OD2 1 ATOM 16 N N . LYS A 1 11 ? 50.100 24.793 10.224 1.00 95.44 ? 11 LYS A N 1 ATOM 17 C CA . LYS A 1 11 ? 49.772 24.698 11.636 1.00 98.50 ? 11 LYS A CA 1 ATOM 18 C C . LYS A 1 11 ? 50.941 25.289 12.411 1.00 98.38 ? 11 LYS A C 1 ATOM 19 O O . LYS A 1 11 ? 50.802 26.309 13.094 1.00 96.55 ? 11 LYS A O 1 ATOM 20 C CB . LYS A 1 11 ? 49.577 23.230 12.022 1.00 95.17 ? 11 LYS A CB 1 ATOM 21 C CG . LYS A 1 11 ? 49.560 22.974 13.515 1.00 94.44 ? 11 LYS A CG 1 ATOM 22 C CD . LYS A 1 11 ? 49.361 21.501 13.826 1.00 90.06 ? 11 LYS A CD 1 ATOM 23 C CE . LYS A 1 11 ? 49.590 21.245 15.308 1.00 100.38 ? 11 LYS A CE 1 ATOM 24 N NZ . LYS A 1 11 ? 49.350 19.833 15.730 1.00 100.38 ? 11 LYS A NZ 1 ATOM 25 N N . ASP A 1 12 ? 52.093 24.634 12.276 1.00 100.16 ? 12 ASP A N 1 ATOM 26 C CA . ASP A 1 12 ? 53.338 25.032 12.929 1.00 96.93 ? 12 ASP A CA 1 ATOM 27 C C . ASP A 1 12 ? 53.561 26.532 12.792 1.00 98.85 ? 12 ASP A C 1 ATOM 28 O O . ASP A 1 12 ? 53.980 27.208 13.738 1.00 100.38 ? 12 ASP A O 1 ATOM 29 C CB . ASP A 1 12 ? 54.516 24.279 12.300 1.00 86.26 ? 12 ASP A CB 1 ATOM 30 C CG . ASP A 1 12 ? 54.470 22.779 12.571 1.00 100.38 ? 12 ASP A CG 1 ATOM 31 O OD1 . ASP A 1 12 ? 53.399 22.267 12.975 1.00 100.38 ? 12 ASP A OD1 1 ATOM 32 O OD2 . ASP A 1 12 ? 55.505 22.105 12.369 1.00 100.38 ? 12 ASP A OD2 1 ATOM 33 N N . LYS A 1 13 ? 53.263 27.045 11.605 1.00 96.65 ? 13 LYS A N 1 ATOM 34 C CA . LYS A 1 13 ? 53.436 28.461 11.309 1.00 96.99 ? 13 LYS A CA 1 ATOM 35 C C . LYS A 1 13 ? 52.679 29.355 12.306 1.00 96.94 ? 13 LYS A C 1 ATOM 36 O O . LYS A 1 13 ? 53.286 30.104 13.085 1.00 79.61 ? 13 LYS A O 1 ATOM 37 C CB . LYS A 1 13 ? 52.960 28.748 9.874 1.00 99.89 ? 13 LYS A CB 1 ATOM 38 C CG . LYS A 1 13 ? 53.401 27.719 8.818 1.00 98.79 ? 13 LYS A CG 1 ATOM 39 C CD . LYS A 1 13 ? 54.920 27.504 8.804 1.00 100.38 ? 13 LYS A CD 1 ATOM 40 C CE . LYS A 1 13 ? 55.371 26.502 7.736 1.00 98.37 ? 13 LYS A CE 1 ATOM 41 N NZ . LYS A 1 13 ? 56.843 26.260 7.828 1.00 89.89 ? 13 LYS A NZ 1 ATOM 42 N N . LEU A 1 14 ? 51.350 29.253 12.269 1.00 100.38 ? 14 LEU A N 1 ATOM 43 C CA . LEU A 1 14 ? 50.459 30.031 13.127 1.00 97.57 ? 14 LEU A CA 1 ATOM 44 C C . LEU A 1 14 ? 50.733 29.892 14.620 1.00 93.04 ? 14 LEU A C 1 ATOM 45 O O . LEU A 1 14 ? 50.869 30.894 15.327 1.00 83.06 ? 14 LEU A O 1 ATOM 46 C CB . LEU A 1 14 ? 49.000 29.646 12.839 1.00 100.38 ? 14 LEU A CB 1 ATOM 47 C CG . LEU A 1 14 ? 47.880 30.175 13.751 1.00 100.37 ? 14 LEU A CG 1 ATOM 48 C CD1 . LEU A 1 14 ? 47.940 31.689 13.868 1.00 93.92 ? 14 LEU A CD1 1 ATOM 49 C CD2 . LEU A 1 14 ? 46.538 29.736 13.188 1.00 95.33 ? 14 LEU A CD2 1 ATOM 50 N N . SER A 1 15 ? 50.803 28.652 15.095 1.00 87.22 ? 15 SER A N 1 ATOM 51 C CA . SER A 1 15 ? 51.036 28.395 16.511 1.00 90.81 ? 15 SER A CA 1 ATOM 52 C C . SER A 1 15 ? 52.112 29.319 17.062 1.00 94.09 ? 15 SER A C 1 ATOM 53 O O . SER A 1 15 ? 51.933 29.956 18.104 1.00 83.96 ? 15 SER A O 1 ATOM 54 C CB . SER A 1 15 ? 51.448 26.939 16.723 1.00 94.48 ? 15 SER A CB 1 ATOM 55 O OG . SER A 1 15 ? 50.473 26.053 16.201 1.00 100.25 ? 15 SER A OG 1 ATOM 56 N N . TYR A 1 16 ? 53.229 29.399 16.348 1.00 97.76 ? 16 TYR A N 1 ATOM 57 C CA . TYR A 1 16 ? 54.329 30.242 16.782 1.00 99.62 ? 16 TYR A CA 1 ATOM 58 C C . TYR A 1 16 ? 53.890 31.687 16.912 1.00 97.60 ? 16 TYR A C 1 ATOM 59 O O . TYR A 1 16 ? 54.137 32.345 17.928 1.00 94.93 ? 16 TYR A O 1 ATOM 60 C CB . TYR A 1 16 ? 55.489 30.182 15.788 1.00 100.38 ? 16 TYR A CB 1 ATOM 61 C CG . TYR A 1 16 ? 56.656 31.050 16.219 1.00 100.23 ? 16 TYR A CG 1 ATOM 62 C CD1 . TYR A 1 16 ? 57.572 30.597 17.167 1.00 100.38 ? 16 TYR A CD1 1 ATOM 63 C CD2 . TYR A 1 16 ? 56.802 32.347 15.732 1.00 90.80 ? 16 TYR A CD2 1 ATOM 64 C CE1 . TYR A 1 16 ? 58.600 31.413 17.615 1.00 95.89 ? 16 TYR A CE1 1 ATOM 65 C CE2 . TYR A 1 16 ? 57.822 33.171 16.181 1.00 89.94 ? 16 TYR A CE2 1 ATOM 66 C CZ . TYR A 1 16 ? 58.716 32.697 17.122 1.00 94.41 ? 16 TYR A CZ 1 ATOM 67 O OH . TYR A 1 16 ? 59.727 33.509 17.572 1.00 98.34 ? 16 TYR A OH 1 ATOM 68 N N . SER A 1 17 ? 53.253 32.172 15.853 1.00 94.83 ? 17 SER A N 1 ATOM 69 C CA . SER A 1 17 ? 52.774 33.547 15.776 1.00 96.69 ? 17 SER A CA 1 ATOM 70 C C . SER A 1 17 ? 51.916 33.940 16.991 1.00 98.27 ? 17 SER A C 1 ATOM 71 O O . SER A 1 17 ? 52.151 34.981 17.627 1.00 84.34 ? 17 SER A O 1 ATOM 72 C CB . SER A 1 17 ? 51.994 33.704 14.472 1.00 99.53 ? 17 SER A CB 1 ATOM 73 O OG . SER A 1 17 ? 52.565 32.871 13.470 1.00 76.62 ? 17 SER A OG 1 ATOM 74 N N . ILE A 1 18 ? 50.936 33.092 17.312 1.00 95.92 ? 18 ILE A N 1 ATOM 75 C CA . ILE A 1 18 ? 50.040 33.319 18.445 1.00 89.21 ? 18 ILE A CA 1 ATOM 76 C C . ILE A 1 18 ? 50.834 33.415 19.736 1.00 84.73 ? 18 ILE A C 1 ATOM 77 O O . ILE A 1 18 ? 50.668 34.361 20.501 1.00 75.15 ? 18 ILE A O 1 ATOM 78 C CB . ILE A 1 18 ? 49.007 32.173 18.603 1.00 88.37 ? 18 ILE A CB 1 ATOM 79 C CG1 . ILE A 1 18 ? 48.107 32.091 17.362 1.00 92.12 ? 18 ILE A CG1 1 ATOM 80 C CG2 . ILE A 1 18 ? 48.183 32.398 19.862 1.00 83.74 ? 18 ILE A CG2 1 ATOM 81 C CD1 . ILE A 1 18 ? 47.191 30.871 17.329 1.00 80.02 ? 18 ILE A CD1 1 ATOM 82 N N . GLY A 1 19 ? 51.691 32.425 19.973 1.00 86.24 ? 19 GLY A N 1 ATOM 83 C CA . GLY A 1 19 ? 52.500 32.412 21.181 1.00 90.15 ? 19 GLY A CA 1 ATOM 84 C C . GLY A 1 19 ? 53.487 33.564 21.244 1.00 91.52 ? 19 GLY A C 1 ATOM 85 O O . GLY A 1 19 ? 53.776 34.107 22.320 1.00 75.38 ? 19 GLY A O 1 ATOM 86 N N . ALA A 1 20 ? 54.028 33.923 20.084 1.00 95.39 ? 20 ALA A N 1 ATOM 87 C CA . ALA A 1 20 ? 54.966 35.027 20.006 1.00 99.52 ? 20 ALA A CA 1 ATOM 88 C C . ALA A 1 20 ? 54.163 36.243 20.459 1.00 94.81 ? 20 ALA A C 1 ATOM 89 O O . ALA A 1 20 ? 54.590 37.024 21.324 1.00 87.21 ? 20 ALA A O 1 ATOM 90 C CB . ALA A 1 20 ? 55.452 35.196 18.565 1.00 100.03 ? 20 ALA A CB 1 ATOM 91 N N . ASP A 1 21 ? 52.975 36.367 19.876 1.00 86.89 ? 21 ASP A N 1 ATOM 92 C CA . ASP A 1 21 ? 52.066 37.453 20.192 1.00 93.23 ? 21 ASP A CA 1 ATOM 93 C C . ASP A 1 21 ? 51.831 37.479 21.703 1.00 95.74 ? 21 ASP A C 1 ATOM 94 O O . ASP A 1 21 ? 52.156 38.450 22.386 1.00 100.38 ? 21 ASP A O 1 ATOM 95 C CB . ASP A 1 21 ? 50.746 37.236 19.447 1.00 95.12 ? 21 ASP A CB 1 ATOM 96 C CG . ASP A 1 21 ? 49.810 38.418 19.562 1.00 100.38 ? 21 ASP A CG 1 ATOM 97 O OD1 . ASP A 1 21 ? 49.521 38.824 20.706 1.00 100.38 ? 21 ASP A OD1 1 ATOM 98 O OD2 . ASP A 1 21 ? 49.362 38.939 18.513 1.00 96.91 ? 21 ASP A OD2 1 ATOM 99 N N . LEU A 1 22 ? 51.280 36.390 22.219 1.00 100.03 ? 22 LEU A N 1 ATOM 100 C CA . LEU A 1 22 ? 51.000 36.267 23.640 1.00 95.48 ? 22 LEU A CA 1 ATOM 101 C C . LEU A 1 22 ? 52.220 36.587 24.491 1.00 93.48 ? 22 LEU A C 1 ATOM 102 O O . LEU A 1 22 ? 52.241 37.598 25.184 1.00 93.09 ? 22 LEU A O 1 ATOM 103 C CB . LEU A 1 22 ? 50.516 34.850 23.943 1.00 100.38 ? 22 LEU A CB 1 ATOM 104 C CG . LEU A 1 22 ? 49.280 34.433 23.144 1.00 100.38 ? 22 LEU A CG 1 ATOM 105 C CD1 . LEU A 1 22 ? 49.060 32.933 23.275 1.00 100.38 ? 22 LEU A CD1 1 ATOM 106 C CD2 . LEU A 1 22 ? 48.073 35.222 23.630 1.00 97.36 ? 22 LEU A CD2 1 ATOM 107 N N . GLY A 1 23 ? 53.230 35.721 24.420 1.00 100.20 ? 23 GLY A N 1 ATOM 108 C CA . GLY A 1 23 ? 54.457 35.888 25.190 1.00 99.06 ? 23 GLY A CA 1 ATOM 109 C C . GLY A 1 23 ? 55.014 37.298 25.344 1.00 100.38 ? 23 GLY A C 1 ATOM 110 O O . GLY A 1 23 ? 55.555 37.650 26.405 1.00 97.45 ? 23 GLY A O 1 ATOM 111 N N . LYS A 1 24 ? 54.906 38.103 24.289 1.00 100.38 ? 24 LYS A N 1 ATOM 112 C CA . LYS A 1 24 ? 55.397 39.473 24.344 1.00 99.20 ? 24 LYS A CA 1 ATOM 113 C C . LYS A 1 24 ? 54.608 40.221 25.410 1.00 100.36 ? 24 LYS A C 1 ATOM 114 O O . LYS A 1 24 ? 55.169 40.738 26.385 1.00 95.89 ? 24 LYS A O 1 ATOM 115 C CB . LYS A 1 24 ? 55.208 40.161 22.989 1.00 100.38 ? 24 LYS A CB 1 ATOM 116 C CG . LYS A 1 24 ? 55.594 41.631 22.994 1.00 100.38 ? 24 LYS A CG 1 ATOM 117 C CD . LYS A 1 24 ? 55.384 42.278 21.636 1.00 100.38 ? 24 LYS A CD 1 ATOM 118 C CE . LYS A 1 24 ? 55.797 43.745 21.675 1.00 100.38 ? 24 LYS A CE 1 ATOM 119 N NZ . LYS A 1 24 ? 55.832 44.374 20.321 1.00 100.38 ? 24 LYS A NZ 1 ATOM 120 N N . ASN A 1 25 ? 53.294 40.248 25.200 1.00 100.38 ? 25 ASN A N 1 ATOM 121 C CA . ASN A 1 25 ? 52.342 40.912 26.079 1.00 97.25 ? 25 ASN A CA 1 ATOM 122 C C . ASN A 1 25 ? 52.649 40.695 27.555 1.00 100.19 ? 25 ASN A C 1 ATOM 123 O O . ASN A 1 25 ? 52.869 41.654 28.301 1.00 100.38 ? 25 ASN A O 1 ATOM 124 C CB . ASN A 1 25 ? 50.937 40.408 25.769 1.00 93.76 ? 25 ASN A CB 1 ATOM 125 C CG . ASN A 1 25 ? 49.891 41.471 25.963 1.00 100.38 ? 25 ASN A CG 1 ATOM 126 O OD1 . ASN A 1 25 ? 48.696 41.206 25.839 1.00 100.38 ? 25 ASN A OD1 1 ATOM 127 N ND2 . ASN A 1 25 ? 50.332 42.694 26.264 1.00 100.38 ? 25 ASN A ND2 1 ATOM 128 N N . PHE A 1 26 ? 52.647 39.431 27.968 1.00 99.10 ? 26 PHE A N 1 ATOM 129 C CA . PHE A 1 26 ? 52.935 39.065 29.351 1.00 100.38 ? 26 PHE A CA 1 ATOM 130 C C . PHE A 1 26 ? 54.168 39.830 29.828 1.00 98.43 ? 26 PHE A C 1 ATOM 131 O O . PHE A 1 26 ? 54.086 40.696 30.697 1.00 97.81 ? 26 PHE A O 1 ATOM 132 C CB . PHE A 1 26 ? 53.226 37.562 29.461 1.00 100.38 ? 26 PHE A CB 1 ATOM 133 C CG . PHE A 1 26 ? 52.107 36.672 28.980 1.00 100.38 ? 26 PHE A CG 1 ATOM 134 C CD1 . PHE A 1 26 ? 51.539 36.850 27.723 1.00 100.38 ? 26 PHE A CD1 1 ATOM 135 C CD2 . PHE A 1 26 ? 51.661 35.614 29.769 1.00 100.38 ? 26 PHE A CD2 1 ATOM 136 C CE1 . PHE A 1 26 ? 50.548 35.989 27.258 1.00 100.38 ? 26 PHE A CE1 1 ATOM 137 C CE2 . PHE A 1 26 ? 50.671 34.748 29.312 1.00 100.21 ? 26 PHE A CE2 1 ATOM 138 C CZ . PHE A 1 26 ? 50.114 34.936 28.055 1.00 99.94 ? 26 PHE A CZ 1 ATOM 139 N N . LYS A 1 27 ? 55.307 39.489 29.231 1.00 100.31 ? 27 LYS A N 1 ATOM 140 C CA . LYS A 1 27 ? 56.604 40.092 29.541 1.00 100.38 ? 27 LYS A CA 1 ATOM 141 C C . LYS A 1 27 ? 56.524 41.602 29.719 1.00 100.38 ? 27 LYS A C 1 ATOM 142 O O . LYS A 1 27 ? 56.935 42.153 30.756 1.00 92.96 ? 27 LYS A O 1 ATOM 143 C CB . LYS A 1 27 ? 57.595 39.778 28.412 1.00 100.38 ? 27 LYS A CB 1 ATOM 144 C CG . LYS A 1 27 ? 59.043 40.163 28.709 1.00 100.38 ? 27 LYS A CG 1 ATOM 145 C CD . LYS A 1 27 ? 59.249 41.665 28.773 1.00 100.38 ? 27 LYS A CD 1 ATOM 146 C CE . LYS A 1 27 ? 60.472 41.969 29.590 1.00 98.58 ? 27 LYS A CE 1 ATOM 147 N NZ . LYS A 1 27 ? 60.346 41.282 30.902 1.00 100.38 ? 27 LYS A NZ 1 ATOM 148 N N . ASN A 1 28 ? 56.016 42.255 28.675 1.00 100.38 ? 28 ASN A N 1 ATOM 149 C CA . ASN A 1 28 ? 55.868 43.706 28.642 1.00 100.38 ? 28 ASN A CA 1 ATOM 150 C C . ASN A 1 28 ? 55.110 44.220 29.861 1.00 100.38 ? 28 ASN A C 1 ATOM 151 O O . ASN A 1 28 ? 55.295 45.364 30.286 1.00 100.38 ? 28 ASN A O 1 ATOM 152 C CB . ASN A 1 28 ? 55.136 44.132 27.362 1.00 100.25 ? 28 ASN A CB 1 ATOM 153 C CG . ASN A 1 28 ? 55.859 43.686 26.094 1.00 100.38 ? 28 ASN A CG 1 ATOM 154 O OD1 . ASN A 1 28 ? 55.526 44.126 24.990 1.00 100.38 ? 28 ASN A OD1 1 ATOM 155 N ND2 . ASN A 1 28 ? 56.849 42.803 26.245 1.00 100.38 ? 28 ASN A ND2 1 ATOM 156 N N . GLN A 1 29 ? 54.268 43.367 30.432 1.00 100.38 ? 29 GLN A N 1 ATOM 157 C CA . GLN A 1 29 ? 53.488 43.760 31.590 1.00 100.38 ? 29 GLN A CA 1 ATOM 158 C C . GLN A 1 29 ? 54.179 43.465 32.934 1.00 100.38 ? 29 GLN A C 1 ATOM 159 O O . GLN A 1 29 ? 54.710 44.386 33.572 1.00 100.38 ? 29 GLN A O 1 ATOM 160 C CB . GLN A 1 29 ? 52.111 43.107 31.480 1.00 95.14 ? 29 GLN A CB 1 ATOM 161 C CG . GLN A 1 29 ? 51.451 43.455 30.141 1.00 96.83 ? 29 GLN A CG 1 ATOM 162 C CD . GLN A 1 29 ? 49.984 43.090 30.085 1.00 100.38 ? 29 GLN A CD 1 ATOM 163 O OE1 . GLN A 1 29 ? 49.421 42.603 31.062 1.00 100.38 ? 29 GLN A OE1 1 ATOM 164 N NE2 . GLN A 1 29 ? 49.351 43.329 28.937 1.00 100.38 ? 29 GLN A NE2 1 ATOM 165 N N . GLY A 1 30 ? 54.185 42.200 33.358 1.00 100.38 ? 30 GLY A N 1 ATOM 166 C CA . GLY A 1 30 ? 54.821 41.833 34.620 1.00 100.38 ? 30 GLY A CA 1 ATOM 167 C C . GLY A 1 30 ? 54.677 40.357 34.978 1.00 100.38 ? 30 GLY A C 1 ATOM 168 O O . GLY A 1 30 ? 55.114 39.902 36.041 1.00 100.38 ? 30 GLY A O 1 ATOM 169 N N . ILE A 1 31 ? 54.070 39.608 34.065 1.00 100.38 ? 31 ILE A N 1 ATOM 170 C CA . ILE A 1 31 ? 53.829 38.179 34.229 1.00 100.38 ? 31 ILE A CA 1 ATOM 171 C C . ILE A 1 31 ? 55.108 37.329 34.183 1.00 100.38 ? 31 ILE A C 1 ATOM 172 O O . ILE A 1 31 ? 55.453 36.766 33.137 1.00 98.61 ? 31 ILE A O 1 ATOM 173 C CB . ILE A 1 31 ? 52.859 37.680 33.124 1.00 100.38 ? 31 ILE A CB 1 ATOM 174 C CG1 . ILE A 1 31 ? 51.719 38.696 32.947 1.00 100.38 ? 31 ILE A CG1 1 ATOM 175 C CG2 . ILE A 1 31 ? 52.313 36.304 33.487 1.00 100.38 ? 31 ILE A CG2 1 ATOM 176 C CD1 . ILE A 1 31 ? 50.763 38.403 31.802 1.00 98.83 ? 31 ILE A CD1 1 ATOM 177 N N . ASP A 1 32 ? 55.812 37.243 35.310 1.00 95.95 ? 32 ASP A N 1 ATOM 178 C CA . ASP A 1 32 ? 57.028 36.436 35.386 1.00 97.39 ? 32 ASP A CA 1 ATOM 179 C C . ASP A 1 32 ? 56.610 34.970 35.461 1.00 100.38 ? 32 ASP A C 1 ATOM 180 O O . ASP A 1 32 ? 56.066 34.531 36.479 1.00 100.38 ? 32 ASP A O 1 ATOM 181 C CB . ASP A 1 32 ? 57.834 36.789 36.633 1.00 99.62 ? 32 ASP A CB 1 ATOM 182 C CG . ASP A 1 32 ? 58.989 35.822 36.870 1.00 100.38 ? 32 ASP A CG 1 ATOM 183 O OD1 . ASP A 1 32 ? 59.976 35.860 36.097 1.00 100.38 ? 32 ASP A OD1 1 ATOM 184 O OD2 . ASP A 1 32 ? 58.899 35.016 37.826 1.00 100.38 ? 32 ASP A OD2 1 ATOM 185 N N . VAL A 1 33 ? 56.876 34.209 34.400 1.00 100.38 ? 33 VAL A N 1 ATOM 186 C CA . VAL A 1 33 ? 56.469 32.803 34.361 1.00 100.31 ? 33 VAL A CA 1 ATOM 187 C C . VAL A 1 33 ? 57.532 31.826 33.857 1.00 100.38 ? 33 VAL A C 1 ATOM 188 O O . VAL A 1 33 ? 58.699 32.183 33.678 1.00 100.38 ? 33 VAL A O 1 ATOM 189 C CB . VAL A 1 33 ? 55.203 32.620 33.452 1.00 100.38 ? 33 VAL A CB 1 ATOM 190 C CG1 . VAL A 1 33 ? 54.141 33.657 33.813 1.00 100.38 ? 33 VAL A CG1 1 ATOM 191 C CG2 . VAL A 1 33 ? 55.584 32.731 31.966 1.00 82.74 ? 33 VAL A CG2 1 ATOM 192 N N . ASN A 1 34 ? 57.095 30.585 33.645 1.00 100.38 ? 34 ASN A N 1 ATOM 193 C CA . ASN A 1 34 ? 57.930 29.511 33.112 1.00 100.38 ? 34 ASN A CA 1 ATOM 194 C C . ASN A 1 34 ? 57.050 28.820 32.065 1.00 98.49 ? 34 ASN A C 1 ATOM 195 O O . ASN A 1 34 ? 56.178 28.024 32.403 1.00 96.06 ? 34 ASN A O 1 ATOM 196 C CB . ASN A 1 34 ? 58.335 28.531 34.224 1.00 100.38 ? 34 ASN A CB 1 ATOM 197 C CG . ASN A 1 34 ? 57.165 27.712 34.749 1.00 100.38 ? 34 ASN A CG 1 ATOM 198 O OD1 . ASN A 1 34 ? 56.878 26.618 34.253 1.00 100.38 ? 34 ASN A OD1 1 ATOM 199 N ND2 . ASN A 1 34 ? 56.477 28.244 35.751 1.00 100.38 ? 34 ASN A ND2 1 ATOM 200 N N . PRO A 1 35 ? 57.247 29.150 30.774 1.00 100.38 ? 35 PRO A N 1 ATOM 201 C CA . PRO A 1 35 ? 56.463 28.563 29.677 1.00 100.38 ? 35 PRO A CA 1 ATOM 202 C C . PRO A 1 35 ? 56.472 27.037 29.620 1.00 100.38 ? 35 PRO A C 1 ATOM 203 O O . PRO A 1 35 ? 55.855 26.446 28.727 1.00 100.01 ? 35 PRO A O 1 ATOM 204 C CB . PRO A 1 35 ? 57.087 29.189 28.426 1.00 100.38 ? 35 PRO A CB 1 ATOM 205 C CG . PRO A 1 35 ? 57.523 30.546 28.918 1.00 100.38 ? 35 PRO A CG 1 ATOM 206 C CD . PRO A 1 35 ? 58.151 30.200 30.263 1.00 100.38 ? 35 PRO A CD 1 ATOM 207 N N . GLU A 1 36 ? 57.167 26.405 30.566 1.00 98.66 ? 36 GLU A N 1 ATOM 208 C CA . GLU A 1 36 ? 57.239 24.951 30.595 1.00 98.13 ? 36 GLU A CA 1 ATOM 209 C C . GLU A 1 36 ? 56.018 24.372 31.308 1.00 100.38 ? 36 GLU A C 1 ATOM 210 O O . GLU A 1 36 ? 55.372 23.456 30.792 1.00 100.38 ? 36 GLU A O 1 ATOM 211 C CB . GLU A 1 36 ? 58.526 24.498 31.286 1.00 100.38 ? 36 GLU A CB 1 ATOM 212 C CG . GLU A 1 36 ? 58.833 23.019 31.105 1.00 96.30 ? 36 GLU A CG 1 ATOM 213 C CD . GLU A 1 36 ? 60.108 22.599 31.803 0.00 99.38 ? 36 GLU A CD 1 ATOM 214 O OE1 . GLU A 1 36 ? 61.175 23.162 31.480 0.00 99.49 ? 36 GLU A OE1 1 ATOM 215 O OE2 . GLU A 1 36 ? 60.043 21.706 32.673 0.00 99.49 ? 36 GLU A OE2 1 ATOM 216 N N . ALA A 1 37 ? 55.705 24.900 32.493 1.00 100.38 ? 37 ALA A N 1 ATOM 217 C CA . ALA A 1 37 ? 54.537 24.446 33.255 1.00 91.83 ? 37 ALA A CA 1 ATOM 218 C C . ALA A 1 37 ? 53.314 25.026 32.561 1.00 88.01 ? 37 ALA A C 1 ATOM 219 O O . ALA A 1 37 ? 52.213 24.474 32.631 1.00 77.12 ? 37 ALA A O 1 ATOM 220 C CB . ALA A 1 37 ? 54.608 24.948 34.693 1.00 86.40 ? 37 ALA A CB 1 ATOM 221 N N . MET A 1 38 ? 53.532 26.150 31.882 1.00 86.04 ? 38 MET A N 1 ATOM 222 C CA . MET A 1 38 ? 52.481 26.834 31.155 1.00 88.81 ? 38 MET A CA 1 ATOM 223 C C . MET A 1 38 ? 52.129 26.086 29.885 1.00 85.03 ? 38 MET A C 1 ATOM 224 O O . MET A 1 38 ? 50.981 26.092 29.461 1.00 88.42 ? 38 MET A O 1 ATOM 225 C CB . MET A 1 38 ? 52.907 28.257 30.798 1.00 93.81 ? 38 MET A CB 1 ATOM 226 C CG . MET A 1 38 ? 51.833 29.030 30.045 1.00 100.38 ? 38 MET A CG 1 ATOM 227 S SD . MET A 1 38 ? 52.279 30.740 29.725 1.00 100.38 ? 38 MET A SD 1 ATOM 228 C CE . MET A 1 38 ? 51.819 31.523 31.270 1.00 96.93 ? 38 MET A CE 1 ATOM 229 N N . ALA A 1 39 ? 53.121 25.459 29.264 1.00 87.39 ? 39 ALA A N 1 ATOM 230 C CA . ALA A 1 39 ? 52.873 24.704 28.044 1.00 95.21 ? 39 ALA A CA 1 ATOM 231 C C . ALA A 1 39 ? 52.186 23.416 28.466 1.00 100.38 ? 39 ALA A C 1 ATOM 232 O O . ALA A 1 39 ? 51.402 22.822 27.716 1.00 99.79 ? 39 ALA A O 1 ATOM 233 C CB . ALA A 1 39 ? 54.178 24.400 27.345 1.00 100.38 ? 39 ALA A CB 1 ATOM 234 N N . LYS A 1 40 ? 52.487 23.002 29.691 1.00 100.23 ? 40 LYS A N 1 ATOM 235 C CA . LYS A 1 40 ? 51.919 21.793 30.261 1.00 97.92 ? 40 LYS A CA 1 ATOM 236 C C . LYS A 1 40 ? 50.408 21.908 30.349 1.00 96.76 ? 40 LYS A C 1 ATOM 237 O O . LYS A 1 40 ? 49.685 21.072 29.812 1.00 96.53 ? 40 LYS A O 1 ATOM 238 C CB . LYS A 1 40 ? 52.491 21.546 31.658 1.00 99.65 ? 40 LYS A CB 1 ATOM 239 C CG . LYS A 1 40 ? 51.995 20.258 32.294 1.00 100.38 ? 40 LYS A CG 1 ATOM 240 C CD . LYS A 1 40 ? 52.266 19.077 31.374 1.00 100.38 ? 40 LYS A CD 1 ATOM 241 C CE . LYS A 1 40 ? 51.787 17.774 31.974 1.00 100.38 ? 40 LYS A CE 1 ATOM 242 N NZ . LYS A 1 40 ? 52.058 16.654 31.039 1.00 100.38 ? 40 LYS A NZ 1 ATOM 243 N N . GLY A 1 41 ? 49.937 22.948 31.033 1.00 97.13 ? 41 GLY A N 1 ATOM 244 C CA . GLY A 1 41 ? 48.506 23.148 31.184 1.00 99.11 ? 41 GLY A CA 1 ATOM 245 C C . GLY A 1 41 ? 47.763 23.194 29.864 1.00 95.20 ? 41 GLY A C 1 ATOM 246 O O . GLY A 1 41 ? 46.645 22.688 29.733 1.00 86.42 ? 41 GLY A O 1 ATOM 247 N N . MET A 1 42 ? 48.391 23.802 28.871 1.00 91.01 ? 42 MET A N 1 ATOM 248 C CA . MET A 1 42 ? 47.763 23.913 27.578 1.00 97.14 ? 42 MET A CA 1 ATOM 249 C C . MET A 1 42 ? 47.449 22.539 27.015 1.00 97.46 ? 42 MET A C 1 ATOM 250 O O . MET A 1 42 ? 46.355 22.319 26.490 1.00 100.38 ? 42 MET A O 1 ATOM 251 C CB . MET A 1 42 ? 48.663 24.689 26.619 1.00 100.38 ? 42 MET A CB 1 ATOM 252 C CG . MET A 1 42 ? 47.979 25.064 25.312 1.00 100.38 ? 42 MET A CG 1 ATOM 253 S SD . MET A 1 42 ? 48.948 26.249 24.368 1.00 100.38 ? 42 MET A SD 1 ATOM 254 C CE . MET A 1 42 ? 48.894 27.697 25.520 1.00 90.30 ? 42 MET A CE 1 ATOM 255 N N . GLN A 1 43 ? 48.397 21.611 27.126 1.00 100.29 ? 43 GLN A N 1 ATOM 256 C CA . GLN A 1 43 ? 48.186 20.260 26.607 1.00 99.69 ? 43 GLN A CA 1 ATOM 257 C C . GLN A 1 43 ? 47.107 19.520 27.399 1.00 100.38 ? 43 GLN A C 1 ATOM 258 O O . GLN A 1 43 ? 46.264 18.838 26.815 1.00 100.38 ? 43 GLN A O 1 ATOM 259 C CB . GLN A 1 43 ? 49.492 19.457 26.622 1.00 98.48 ? 43 GLN A CB 1 ATOM 260 C CG . GLN A 1 43 ? 49.389 18.091 25.943 1.00 100.38 ? 43 GLN A CG 1 ATOM 261 C CD . GLN A 1 43 ? 50.683 17.303 26.003 0.00 100.17 ? 43 GLN A CD 1 ATOM 262 O OE1 . GLN A 1 43 ? 51.707 17.726 25.465 0.00 100.36 ? 43 GLN A OE1 1 ATOM 263 N NE2 . GLN A 1 43 ? 50.643 16.149 26.660 0.00 100.36 ? 43 GLN A NE2 1 ATOM 264 N N . ASP A 1 44 ? 47.131 19.646 28.724 1.00 99.12 ? 44 ASP A N 1 ATOM 265 C CA . ASP A 1 44 ? 46.117 18.991 29.544 1.00 93.37 ? 44 ASP A CA 1 ATOM 266 C C . ASP A 1 44 ? 44.760 19.407 28.988 1.00 92.97 ? 44 ASP A C 1 ATOM 267 O O . ASP A 1 44 ? 43.934 18.571 28.610 1.00 90.52 ? 44 ASP A O 1 ATOM 268 C CB . ASP A 1 44 ? 46.223 19.433 31.010 1.00 87.43 ? 44 ASP A CB 1 ATOM 269 C CG . ASP A 1 44 ? 47.446 18.869 31.708 1.00 84.78 ? 44 ASP A CG 1 ATOM 270 O OD1 . ASP A 1 44 ? 47.668 17.647 31.624 1.00 94.66 ? 44 ASP A OD1 1 ATOM 271 O OD2 . ASP A 1 44 ? 48.181 19.639 32.355 1.00 87.77 ? 44 ASP A OD2 1 ATOM 272 N N . ALA A 1 45 ? 44.557 20.718 28.925 1.00 90.88 ? 45 ALA A N 1 ATOM 273 C CA . ALA A 1 45 ? 43.319 21.302 28.428 1.00 90.87 ? 45 ALA A CA 1 ATOM 274 C C . ALA A 1 45 ? 42.864 20.718 27.091 1.00 84.02 ? 45 ALA A C 1 ATOM 275 O O . ALA A 1 45 ? 41.784 20.141 26.991 1.00 80.42 ? 45 ALA A O 1 ATOM 276 C CB . ALA A 1 45 ? 43.481 22.819 28.314 1.00 91.90 ? 45 ALA A CB 1 ATOM 277 N N . MET A 1 46 ? 43.690 20.869 26.064 1.00 86.51 ? 46 MET A N 1 ATOM 278 C CA . MET A 1 46 ? 43.351 20.360 24.743 1.00 93.43 ? 46 MET A CA 1 ATOM 279 C C . MET A 1 46 ? 43.142 18.849 24.660 1.00 92.52 ? 46 MET A C 1 ATOM 280 O O . MET A 1 46 ? 42.290 18.384 23.902 1.00 94.39 ? 46 MET A O 1 ATOM 281 C CB . MET A 1 46 ? 44.415 20.775 23.724 1.00 100.12 ? 46 MET A CB 1 ATOM 282 C CG . MET A 1 46 ? 44.346 22.231 23.310 1.00 100.38 ? 46 MET A CG 1 ATOM 283 S SD . MET A 1 46 ? 45.287 22.531 21.795 1.00 100.38 ? 46 MET A SD 1 ATOM 284 C CE . MET A 1 46 ? 46.768 23.309 22.492 1.00 100.24 ? 46 MET A CE 1 ATOM 285 N N . SER A 1 47 ? 43.925 18.079 25.411 1.00 95.37 ? 47 SER A N 1 ATOM 286 C CA . SER A 1 47 ? 43.772 16.627 25.384 1.00 96.94 ? 47 SER A CA 1 ATOM 287 C C . SER A 1 47 ? 42.555 16.280 26.234 1.00 100.25 ? 47 SER A C 1 ATOM 288 O O . SER A 1 47 ? 42.158 15.117 26.335 1.00 100.38 ? 47 SER A O 1 ATOM 289 C CB . SER A 1 47 ? 45.030 15.923 25.928 1.00 91.35 ? 47 SER A CB 1 ATOM 290 O OG . SER A 1 47 ? 45.201 16.122 27.323 1.00 82.63 ? 47 SER A OG 1 ATOM 291 N N . GLY A 1 48 ? 41.960 17.312 26.828 1.00 100.38 ? 48 GLY A N 1 ATOM 292 C CA . GLY A 1 48 ? 40.794 17.126 27.667 1.00 100.07 ? 48 GLY A CA 1 ATOM 293 C C . GLY A 1 48 ? 41.143 16.240 28.838 1.00 98.27 ? 48 GLY A C 1 ATOM 294 O O . GLY A 1 48 ? 40.270 15.674 29.484 1.00 100.38 ? 48 GLY A O 1 ATOM 295 N N . ALA A 1 49 ? 42.436 16.117 29.102 1.00 99.67 ? 49 ALA A N 1 ATOM 296 C CA . ALA A 1 49 ? 42.915 15.289 30.195 1.00 96.03 ? 49 ALA A CA 1 ATOM 297 C C . ALA A 1 49 ? 42.542 15.902 31.537 1.00 98.43 ? 49 ALA A C 1 ATOM 298 O O . ALA A 1 49 ? 42.076 17.043 31.610 1.00 94.90 ? 49 ALA A O 1 ATOM 299 C CB . ALA A 1 49 ? 44.428 15.120 30.096 1.00 89.03 ? 49 ALA A CB 1 ATOM 300 N N . GLN A 1 50 ? 42.742 15.120 32.595 1.00 100.38 ? 50 GLN A N 1 ATOM 301 C CA . GLN A 1 50 ? 42.456 15.551 33.960 1.00 97.51 ? 50 GLN A CA 1 ATOM 302 C C . GLN A 1 50 ? 43.453 16.660 34.285 1.00 90.17 ? 50 GLN A C 1 ATOM 303 O O . GLN A 1 50 ? 44.651 16.507 34.042 1.00 85.43 ? 50 GLN A O 1 ATOM 304 C CB . GLN A 1 50 ? 42.632 14.365 34.912 1.00 94.69 ? 50 GLN A CB 1 ATOM 305 C CG . GLN A 1 50 ? 42.293 14.634 36.362 1.00 100.38 ? 50 GLN A CG 1 ATOM 306 C CD . GLN A 1 50 ? 42.677 13.471 37.260 1.00 100.38 ? 50 GLN A CD 1 ATOM 307 O OE1 . GLN A 1 50 ? 43.858 13.134 37.396 1.00 100.38 ? 50 GLN A OE1 1 ATOM 308 N NE2 . GLN A 1 50 ? 41.680 12.845 37.872 1.00 100.38 ? 50 GLN A NE2 1 ATOM 309 N N . LEU A 1 51 ? 42.961 17.770 34.825 1.00 86.53 ? 51 LEU A N 1 ATOM 310 C CA . LEU A 1 51 ? 43.822 18.901 35.146 1.00 95.45 ? 51 LEU A CA 1 ATOM 311 C C . LEU A 1 51 ? 44.528 18.831 36.497 1.00 98.69 ? 51 LEU A C 1 ATOM 312 O O . LEU A 1 51 ? 43.904 18.586 37.530 1.00 100.38 ? 51 LEU A O 1 ATOM 313 C CB . LEU A 1 51 ? 43.021 20.198 35.051 1.00 99.61 ? 51 LEU A CB 1 ATOM 314 C CG . LEU A 1 51 ? 42.486 20.502 33.651 1.00 94.85 ? 51 LEU A CG 1 ATOM 315 C CD1 . LEU A 1 51 ? 41.601 21.740 33.697 1.00 85.72 ? 51 LEU A CD1 1 ATOM 316 C CD2 . LEU A 1 51 ? 43.653 20.699 32.697 1.00 96.19 ? 51 LEU A CD2 1 ATOM 317 N N . ALA A 1 52 ? 45.837 19.070 36.467 1.00 99.13 ? 52 ALA A N 1 ATOM 318 C CA . ALA A 1 52 ? 46.689 19.037 37.654 1.00 100.38 ? 52 ALA A CA 1 ATOM 319 C C . ALA A 1 52 ? 46.214 19.951 38.775 1.00 98.63 ? 52 ALA A C 1 ATOM 320 O O . ALA A 1 52 ? 46.770 19.926 39.878 1.00 100.38 ? 52 ALA A O 1 ATOM 321 C CB . ALA A 1 52 ? 48.131 19.396 37.272 1.00 99.74 ? 52 ALA A CB 1 ATOM 322 N N . LEU A 1 53 ? 45.202 20.767 38.494 1.00 95.42 ? 53 LEU A N 1 ATOM 323 C CA . LEU A 1 53 ? 44.669 21.675 39.501 1.00 95.01 ? 53 LEU A CA 1 ATOM 324 C C . LEU A 1 53 ? 43.147 21.719 39.480 1.00 92.44 ? 53 LEU A C 1 ATOM 325 O O . LEU A 1 53 ? 42.519 21.667 38.423 1.00 81.05 ? 53 LEU A O 1 ATOM 326 C CB . LEU A 1 53 ? 45.238 23.092 39.320 1.00 94.60 ? 53 LEU A CB 1 ATOM 327 C CG . LEU A 1 53 ? 46.731 23.319 39.619 1.00 93.31 ? 53 LEU A CG 1 ATOM 328 C CD1 . LEU A 1 53 ? 47.037 24.806 39.520 1.00 97.51 ? 53 LEU A CD1 1 ATOM 329 C CD2 . LEU A 1 53 ? 47.089 22.809 41.011 1.00 91.40 ? 53 LEU A CD2 1 ATOM 330 N N . THR A 1 54 ? 42.567 21.812 40.670 1.00 94.53 ? 54 THR A N 1 ATOM 331 C CA . THR A 1 54 ? 41.120 21.859 40.831 1.00 99.81 ? 54 THR A CA 1 ATOM 332 C C . THR A 1 54 ? 40.549 23.177 40.322 1.00 100.38 ? 54 THR A C 1 ATOM 333 O O . THR A 1 54 ? 41.051 24.248 40.681 1.00 91.79 ? 54 THR A O 1 ATOM 334 C CB . THR A 1 54 ? 40.717 21.715 42.327 1.00 100.38 ? 54 THR A CB 1 ATOM 335 O OG1 . THR A 1 54 ? 41.193 22.848 43.064 1.00 100.38 ? 54 THR A OG1 1 ATOM 336 C CG2 . THR A 1 54 ? 41.318 20.448 42.931 1.00 100.38 ? 54 THR A CG2 1 ATOM 337 N N . GLU A 1 55 ? 39.502 23.091 39.498 1.00 99.48 ? 55 GLU A N 1 ATOM 338 C CA . GLU A 1 55 ? 38.832 24.277 38.953 1.00 100.38 ? 55 GLU A CA 1 ATOM 339 C C . GLU A 1 55 ? 38.986 25.412 39.964 1.00 100.38 ? 55 GLU A C 1 ATOM 340 O O . GLU A 1 55 ? 39.492 26.495 39.641 1.00 100.38 ? 55 GLU A O 1 ATOM 341 C CB . GLU A 1 55 ? 37.347 23.980 38.716 1.00 99.83 ? 55 GLU A CB 1 ATOM 342 C CG . GLU A 1 55 ? 37.104 22.760 37.845 0.00 98.60 ? 55 GLU A CG 1 ATOM 343 C CD . GLU A 1 55 ? 35.632 22.448 37.675 0.00 98.00 ? 55 GLU A CD 1 ATOM 344 O OE1 . GLU A 1 55 ? 34.903 23.303 37.130 0.00 97.57 ? 55 GLU A OE1 1 ATOM 345 O OE2 . GLU A 1 55 ? 35.205 21.349 38.087 0.00 97.57 ? 55 GLU A OE2 1 ATOM 346 N N . GLN A 1 56 ? 38.553 25.146 41.192 1.00 94.21 ? 56 GLN A N 1 ATOM 347 C CA . GLN A 1 56 ? 38.686 26.108 42.268 1.00 95.48 ? 56 GLN A CA 1 ATOM 348 C C . GLN A 1 56 ? 40.139 26.587 42.262 1.00 92.65 ? 56 GLN A C 1 ATOM 349 O O . GLN A 1 56 ? 40.419 27.701 41.838 1.00 100.38 ? 56 GLN A O 1 ATOM 350 C CB . GLN A 1 56 ? 38.349 25.443 43.608 1.00 100.33 ? 56 GLN A CB 1 ATOM 351 C CG . GLN A 1 56 ? 38.717 26.261 44.847 1.00 100.38 ? 56 GLN A CG 1 ATOM 352 C CD . GLN A 1 56 ? 37.890 27.528 44.993 1.00 100.38 ? 56 GLN A CD 1 ATOM 353 O OE1 . GLN A 1 56 ? 37.186 27.938 44.063 1.00 100.38 ? 56 GLN A OE1 1 ATOM 354 N NE2 . GLN A 1 56 ? 37.979 28.163 46.163 1.00 100.38 ? 56 GLN A NE2 1 ATOM 355 N N . GLN A 1 57 ? 41.052 25.732 42.715 1.00 89.85 ? 57 GLN A N 1 ATOM 356 C CA . GLN A 1 57 ? 42.490 26.034 42.773 1.00 97.69 ? 57 GLN A CA 1 ATOM 357 C C . GLN A 1 57 ? 42.999 27.110 41.815 1.00 100.38 ? 57 GLN A C 1 ATOM 358 O O . GLN A 1 57 ? 43.569 28.123 42.243 1.00 96.90 ? 57 GLN A O 1 ATOM 359 C CB . GLN A 1 57 ? 43.308 24.770 42.509 1.00 96.03 ? 57 GLN A CB 1 ATOM 360 C CG . GLN A 1 57 ? 43.752 24.012 43.728 1.00 92.99 ? 57 GLN A CG 1 ATOM 361 C CD . GLN A 1 57 ? 44.607 22.827 43.351 1.00 97.76 ? 57 GLN A CD 1 ATOM 362 O OE1 . GLN A 1 57 ? 44.180 21.962 42.588 1.00 88.41 ? 57 GLN A OE1 1 ATOM 363 N NE2 . GLN A 1 57 ? 45.826 22.782 43.879 1.00 97.06 ? 57 GLN A NE2 1 ATOM 364 N N . MET A 1 58 ? 42.824 26.855 40.518 1.00 100.38 ? 58 MET A N 1 ATOM 365 C CA . MET A 1 58 ? 43.269 27.771 39.474 1.00 100.38 ? 58 MET A CA 1 ATOM 366 C C . MET A 1 58 ? 42.627 29.136 39.686 1.00 100.38 ? 58 MET A C 1 ATOM 367 O O . MET A 1 58 ? 43.327 30.139 39.882 1.00 97.79 ? 58 MET A O 1 ATOM 368 C CB . MET A 1 58 ? 42.914 27.206 38.091 1.00 99.43 ? 58 MET A CB 1 ATOM 369 C CG . MET A 1 58 ? 43.531 25.831 37.828 1.00 94.25 ? 58 MET A CG 1 ATOM 370 S SD . MET A 1 58 ? 43.348 25.208 36.134 1.00 99.03 ? 58 MET A SD 1 ATOM 371 C CE . MET A 1 58 ? 41.571 24.898 36.016 1.00 100.38 ? 58 MET A CE 1 ATOM 372 N N . LYS A 1 59 ? 41.297 29.170 39.657 1.00 100.38 ? 59 LYS A N 1 ATOM 373 C CA . LYS A 1 59 ? 40.577 30.413 39.884 1.00 100.38 ? 59 LYS A CA 1 ATOM 374 C C . LYS A 1 59 ? 41.141 31.127 41.115 1.00 99.59 ? 59 LYS A C 1 ATOM 375 O O . LYS A 1 59 ? 41.467 32.312 41.060 1.00 99.94 ? 59 LYS A O 1 ATOM 376 C CB . LYS A 1 59 ? 39.089 30.135 40.085 1.00 97.19 ? 59 LYS A CB 1 ATOM 377 C CG . LYS A 1 59 ? 38.218 30.535 38.901 1.00 100.38 ? 59 LYS A CG 1 ATOM 378 C CD . LYS A 1 59 ? 38.598 29.784 37.630 1.00 100.38 ? 59 LYS A CD 1 ATOM 379 C CE . LYS A 1 59 ? 37.564 30.027 36.545 0.00 100.38 ? 59 LYS A CE 1 ATOM 380 N NZ . LYS A 1 59 ? 36.202 29.622 36.997 0.00 100.38 ? 59 LYS A NZ 1 ATOM 381 N N . ASP A 1 60 ? 41.261 30.402 42.221 1.00 94.73 ? 60 ASP A N 1 ATOM 382 C CA . ASP A 1 60 ? 41.793 30.985 43.441 1.00 97.26 ? 60 ASP A CA 1 ATOM 383 C C . ASP A 1 60 ? 43.064 31.758 43.134 1.00 96.21 ? 60 ASP A C 1 ATOM 384 O O . ASP A 1 60 ? 43.192 32.924 43.503 1.00 100.38 ? 60 ASP A O 1 ATOM 385 C CB . ASP A 1 60 ? 42.105 29.898 44.468 1.00 100.38 ? 60 ASP A CB 1 ATOM 386 C CG . ASP A 1 60 ? 40.915 29.011 44.751 1.00 100.38 ? 60 ASP A CG 1 ATOM 387 O OD1 . ASP A 1 60 ? 39.822 29.563 45.023 1.00 100.38 ? 60 ASP A OD1 1 ATOM 388 O OD2 . ASP A 1 60 ? 41.078 27.768 44.704 1.00 100.38 ? 60 ASP A OD2 1 ATOM 389 N N . VAL A 1 61 ? 44.002 31.113 42.449 1.00 95.58 ? 61 VAL A N 1 ATOM 390 C CA . VAL A 1 61 ? 45.258 31.773 42.118 1.00 100.38 ? 61 VAL A CA 1 ATOM 391 C C . VAL A 1 61 ? 45.146 32.833 41.018 1.00 100.38 ? 61 VAL A C 1 ATOM 392 O O . VAL A 1 61 ? 45.805 33.879 41.099 1.00 100.38 ? 61 VAL A O 1 ATOM 393 C CB . VAL A 1 61 ? 46.347 30.744 41.761 1.00 98.70 ? 61 VAL A CB 1 ATOM 394 C CG1 . VAL A 1 61 ? 47.438 31.391 40.920 1.00 96.49 ? 61 VAL A CG1 1 ATOM 395 C CG2 . VAL A 1 61 ? 46.958 30.202 43.047 1.00 98.77 ? 61 VAL A CG2 1 ATOM 396 N N . LEU A 1 62 ? 44.329 32.582 39.997 1.00 94.18 ? 62 LEU A N 1 ATOM 397 C CA . LEU A 1 62 ? 44.164 33.577 38.944 1.00 91.17 ? 62 LEU A CA 1 ATOM 398 C C . LEU A 1 62 ? 43.542 34.828 39.549 1.00 100.38 ? 62 LEU A C 1 ATOM 399 O O . LEU A 1 62 ? 43.997 35.941 39.284 1.00 100.38 ? 62 LEU A O 1 ATOM 400 C CB . LEU A 1 62 ? 43.270 33.059 37.820 1.00 75.90 ? 62 LEU A CB 1 ATOM 401 C CG . LEU A 1 62 ? 43.885 31.980 36.932 1.00 82.25 ? 62 LEU A CG 1 ATOM 402 C CD1 . LEU A 1 62 ? 42.960 31.704 35.755 1.00 83.44 ? 62 LEU A CD1 1 ATOM 403 C CD2 . LEU A 1 62 ? 45.250 32.435 36.438 1.00 82.95 ? 62 LEU A CD2 1 ATOM 404 N N . ASN A 1 63 ? 42.508 34.640 40.369 1.00 100.38 ? 63 ASN A N 1 ATOM 405 C CA . ASN A 1 63 ? 41.838 35.762 41.017 1.00 98.73 ? 63 ASN A CA 1 ATOM 406 C C . ASN A 1 63 ? 42.860 36.593 41.776 1.00 94.83 ? 63 ASN A C 1 ATOM 407 O O . ASN A 1 63 ? 42.718 37.810 41.904 1.00 100.35 ? 63 ASN A O 1 ATOM 408 C CB . ASN A 1 63 ? 40.756 35.278 41.994 1.00 100.38 ? 63 ASN A CB 1 ATOM 409 C CG . ASN A 1 63 ? 39.642 34.495 41.306 1.00 100.38 ? 63 ASN A CG 1 ATOM 410 O OD1 . ASN A 1 63 ? 39.186 34.855 40.215 1.00 100.38 ? 63 ASN A OD1 1 ATOM 411 N ND2 . ASN A 1 63 ? 39.187 33.425 41.955 1.00 100.38 ? 63 ASN A ND2 1 ATOM 412 N N . LYS A 1 64 ? 43.895 35.938 42.280 1.00 83.48 ? 64 LYS A N 1 ATOM 413 C CA . LYS A 1 64 ? 44.908 36.663 43.018 1.00 88.28 ? 64 LYS A CA 1 ATOM 414 C C . LYS A 1 64 ? 45.885 37.313 42.043 1.00 91.15 ? 64 LYS A C 1 ATOM 415 O O . LYS A 1 64 ? 46.511 38.326 42.351 1.00 96.90 ? 64 LYS A O 1 ATOM 416 C CB . LYS A 1 64 ? 45.652 35.723 43.964 1.00 82.02 ? 64 LYS A CB 1 ATOM 417 C CG . LYS A 1 64 ? 46.420 36.450 45.073 1.00 92.91 ? 64 LYS A CG 1 ATOM 418 C CD . LYS A 1 64 ? 47.889 36.047 45.114 1.00 94.69 ? 64 LYS A CD 1 ATOM 419 C CE . LYS A 1 64 ? 48.618 36.695 46.277 0.00 95.22 ? 64 LYS A CE 1 ATOM 420 N NZ . LYS A 1 64 ? 50.047 36.278 46.324 0.00 95.46 ? 64 LYS A NZ 1 ATOM 421 N N . PHE A 1 65 ? 46.012 36.730 40.859 1.00 85.67 ? 65 PHE A N 1 ATOM 422 C CA . PHE A 1 65 ? 46.923 37.264 39.858 1.00 82.92 ? 65 PHE A CA 1 ATOM 423 C C . PHE A 1 65 ? 46.428 38.599 39.323 1.00 87.93 ? 65 PHE A C 1 ATOM 424 O O . PHE A 1 65 ? 47.209 39.533 39.150 1.00 74.35 ? 65 PHE A O 1 ATOM 425 C CB . PHE A 1 65 ? 47.058 36.285 38.705 1.00 78.98 ? 65 PHE A CB 1 ATOM 426 C CG . PHE A 1 65 ? 47.846 36.817 37.551 1.00 66.40 ? 65 PHE A CG 1 ATOM 427 C CD1 . PHE A 1 65 ? 49.167 37.221 37.721 1.00 67.56 ? 65 PHE A CD1 1 ATOM 428 C CD2 . PHE A 1 65 ? 47.278 36.877 36.292 1.00 39.06 ? 65 PHE A CD2 1 ATOM 429 C CE1 . PHE A 1 65 ? 49.915 37.676 36.642 1.00 72.51 ? 65 PHE A CE1 1 ATOM 430 C CE2 . PHE A 1 65 ? 48.005 37.326 35.207 1.00 67.95 ? 65 PHE A CE2 1 ATOM 431 C CZ . PHE A 1 65 ? 49.334 37.728 35.380 1.00 79.05 ? 65 PHE A CZ 1 ATOM 432 N N . GLN A 1 66 ? 45.129 38.672 39.046 1.00 88.24 ? 66 GLN A N 1 ATOM 433 C CA . GLN A 1 66 ? 44.509 39.890 38.540 1.00 87.50 ? 66 GLN A CA 1 ATOM 434 C C . GLN A 1 66 ? 44.556 40.990 39.585 1.00 83.58 ? 66 GLN A C 1 ATOM 435 O O . GLN A 1 66 ? 44.974 42.104 39.307 1.00 71.40 ? 66 GLN A O 1 ATOM 436 C CB . GLN A 1 66 ? 43.059 39.622 38.155 1.00 82.97 ? 66 GLN A CB 1 ATOM 437 C CG . GLN A 1 66 ? 42.935 38.651 37.032 1.00 83.89 ? 66 GLN A CG 1 ATOM 438 C CD . GLN A 1 66 ? 43.893 38.981 35.917 1.00 96.32 ? 66 GLN A CD 1 ATOM 439 O OE1 . GLN A 1 66 ? 43.888 40.098 35.394 1.00 97.40 ? 66 GLN A OE1 1 ATOM 440 N NE2 . GLN A 1 66 ? 44.732 38.015 35.548 1.00 99.07 ? 66 GLN A NE2 1 ATOM 441 N N . LYS A 1 67 ? 44.121 40.659 40.792 1.00 85.72 ? 67 LYS A N 1 ATOM 442 C CA . LYS A 1 67 ? 44.108 41.612 41.882 1.00 89.83 ? 67 LYS A CA 1 ATOM 443 C C . LYS A 1 67 ? 45.493 42.242 42.005 1.00 85.64 ? 67 LYS A C 1 ATOM 444 O O . LYS A 1 67 ? 45.622 43.442 42.249 1.00 93.05 ? 67 LYS A O 1 ATOM 445 C CB . LYS A 1 67 ? 43.719 40.894 43.181 1.00 96.65 ? 67 LYS A CB 1 ATOM 446 C CG . LYS A 1 67 ? 43.267 41.813 44.319 1.00 100.38 ? 67 LYS A CG 1 ATOM 447 C CD . LYS A 1 67 ? 42.225 41.122 45.216 1.00 100.38 ? 67 LYS A CD 1 ATOM 448 C CE . LYS A 1 67 ? 40.963 40.750 44.413 1.00 100.38 ? 67 LYS A CE 1 ATOM 449 N NZ . LYS A 1 67 ? 39.896 40.102 45.226 1.00 93.43 ? 67 LYS A NZ 1 ATOM 450 N N . ASP A 1 68 ? 46.530 41.436 41.819 1.00 70.66 ? 68 ASP A N 1 ATOM 451 C CA . ASP A 1 68 ? 47.891 41.937 41.922 1.00 74.54 ? 68 ASP A CA 1 ATOM 452 C C . ASP A 1 68 ? 48.283 42.708 40.664 1.00 77.74 ? 68 ASP A C 1 ATOM 453 O O . ASP A 1 68 ? 49.188 43.542 40.687 1.00 70.89 ? 68 ASP A O 1 ATOM 454 C CB . ASP A 1 68 ? 48.867 40.778 42.161 1.00 79.56 ? 68 ASP A CB 1 ATOM 455 C CG . ASP A 1 68 ? 48.615 40.062 43.475 0.00 76.33 ? 68 ASP A CG 1 ATOM 456 O OD1 . ASP A 1 68 ? 48.386 40.746 44.494 0.00 75.80 ? 68 ASP A OD1 1 ATOM 457 O OD2 . ASP A 1 68 ? 48.656 38.815 43.491 0.00 75.80 ? 68 ASP A OD2 1 ATOM 458 N N . LEU A 1 69 ? 47.596 42.418 39.565 1.00 78.39 ? 69 LEU A N 1 ATOM 459 C CA . LEU A 1 69 ? 47.850 43.087 38.296 1.00 79.37 ? 69 LEU A CA 1 ATOM 460 C C . LEU A 1 69 ? 47.309 44.504 38.489 1.00 83.24 ? 69 LEU A C 1 ATOM 461 O O . LEU A 1 69 ? 47.992 45.501 38.238 1.00 78.48 ? 69 LEU A O 1 ATOM 462 C CB . LEU A 1 69 ? 47.074 42.377 37.180 1.00 74.91 ? 69 LEU A CB 1 ATOM 463 C CG . LEU A 1 69 ? 47.655 42.274 35.770 1.00 75.71 ? 69 LEU A CG 1 ATOM 464 C CD1 . LEU A 1 69 ? 46.495 42.046 34.788 1.00 73.65 ? 69 LEU A CD1 1 ATOM 465 C CD2 . LEU A 1 69 ? 48.420 43.545 35.406 1.00 77.60 ? 69 LEU A CD2 1 ATOM 466 N N . MET A 1 70 ? 46.066 44.559 38.960 1.00 81.78 ? 70 MET A N 1 ATOM 467 C CA . MET A 1 70 ? 45.362 45.799 39.235 1.00 77.14 ? 70 MET A CA 1 ATOM 468 C C . MET A 1 70 ? 46.215 46.696 40.097 1.00 71.81 ? 70 MET A C 1 ATOM 469 O O . MET A 1 70 ? 46.274 47.900 39.888 1.00 75.04 ? 70 MET A O 1 ATOM 470 C CB . MET A 1 70 ? 44.047 45.500 39.959 1.00 79.87 ? 70 MET A CB 1 ATOM 471 C CG . MET A 1 70 ? 43.275 46.736 40.412 1.00 92.91 ? 70 MET A CG 1 ATOM 472 S SD . MET A 1 70 ? 41.509 46.398 40.623 1.00 96.67 ? 70 MET A SD 1 ATOM 473 C CE . MET A 1 70 ? 40.939 46.612 38.907 1.00 78.57 ? 70 MET A CE 1 ATOM 474 N N . ALA A 1 71 ? 46.876 46.105 41.075 1.00 65.49 ? 71 ALA A N 1 ATOM 475 C CA . ALA A 1 71 ? 47.716 46.881 41.958 1.00 72.18 ? 71 ALA A CA 1 ATOM 476 C C . ALA A 1 71 ? 48.853 47.473 41.152 1.00 76.41 ? 71 ALA A C 1 ATOM 477 O O . ALA A 1 71 ? 49.241 48.626 41.360 1.00 83.81 ? 71 ALA A O 1 ATOM 478 C CB . ALA A 1 71 ? 48.266 45.994 43.074 1.00 67.47 ? 71 ALA A CB 1 ATOM 479 N N . LYS A 1 72 ? 49.376 46.674 40.224 1.00 76.29 ? 72 LYS A N 1 ATOM 480 C CA . LYS A 1 72 ? 50.494 47.087 39.388 1.00 68.00 ? 72 LYS A CA 1 ATOM 481 C C . LYS A 1 72 ? 50.131 48.252 38.487 1.00 69.75 ? 72 LYS A C 1 ATOM 482 O O . LYS A 1 72 ? 50.892 49.218 38.391 1.00 75.98 ? 72 LYS A O 1 ATOM 483 C CB . LYS A 1 72 ? 50.987 45.923 38.533 1.00 65.10 ? 72 LYS A CB 1 ATOM 484 C CG . LYS A 1 72 ? 51.502 44.731 39.321 0.00 58.60 ? 72 LYS A CG 1 ATOM 485 C CD . LYS A 1 72 ? 51.921 43.602 38.392 0.00 53.72 ? 72 LYS A CD 1 ATOM 486 C CE . LYS A 1 72 ? 52.396 42.390 39.174 0.00 50.41 ? 72 LYS A CE 1 ATOM 487 N NZ . LYS A 1 72 ? 52.792 41.271 38.277 0.00 47.23 ? 72 LYS A NZ 1 ATOM 488 N N . ARG A 1 73 ? 48.981 48.157 37.821 1.00 60.93 ? 73 ARG A N 1 ATOM 489 C CA . ARG A 1 73 ? 48.520 49.220 36.927 1.00 53.64 ? 73 ARG A CA 1 ATOM 490 C C . ARG A 1 73 ? 48.389 50.517 37.733 1.00 60.41 ? 73 ARG A C 1 ATOM 491 O O . ARG A 1 73 ? 48.961 51.549 37.363 1.00 48.20 ? 73 ARG A O 1 ATOM 492 C CB . ARG A 1 73 ? 47.167 48.850 36.296 1.00 52.96 ? 73 ARG A CB 1 ATOM 493 C CG . ARG A 1 73 ? 47.269 48.066 34.993 1.00 63.57 ? 73 ARG A CG 1 ATOM 494 C CD . ARG A 1 73 ? 45.937 47.411 34.644 1.00 78.63 ? 73 ARG A CD 1 ATOM 495 N NE . ARG A 1 73 ? 45.674 46.242 35.485 1.00 93.57 ? 73 ARG A NE 1 ATOM 496 C CZ . ARG A 1 73 ? 44.487 45.652 35.620 1.00 98.66 ? 73 ARG A CZ 1 ATOM 497 N NH1 . ARG A 1 73 ? 43.429 46.114 34.969 1.00 93.15 ? 73 ARG A NH1 1 ATOM 498 N NH2 . ARG A 1 73 ? 44.355 44.600 36.418 1.00 100.38 ? 73 ARG A NH2 1 ATOM 499 N N . THR A 1 74 ? 47.654 50.449 38.843 1.00 61.28 ? 74 THR A N 1 ATOM 500 C CA . THR A 1 74 ? 47.446 51.606 39.696 1.00 55.83 ? 74 THR A CA 1 ATOM 501 C C . THR A 1 74 ? 48.799 52.197 40.014 1.00 58.65 ? 74 THR A C 1 ATOM 502 O O . THR A 1 74 ? 48.956 53.401 40.082 1.00 61.52 ? 74 THR A O 1 ATOM 503 C CB . THR A 1 74 ? 46.711 51.224 40.998 1.00 59.68 ? 74 THR A CB 1 ATOM 504 O OG1 . THR A 1 74 ? 45.451 50.619 40.674 1.00 60.75 ? 74 THR A OG1 1 ATOM 505 C CG2 . THR A 1 74 ? 46.436 52.462 41.846 1.00 50.25 ? 74 THR A CG2 1 ATOM 506 N N . ALA A 1 75 ? 49.790 51.340 40.185 1.00 66.33 ? 75 ALA A N 1 ATOM 507 C CA . ALA A 1 75 ? 51.128 51.819 40.485 1.00 74.36 ? 75 ALA A CA 1 ATOM 508 C C . ALA A 1 75 ? 51.593 52.692 39.333 1.00 69.35 ? 75 ALA A C 1 ATOM 509 O O . ALA A 1 75 ? 51.906 53.862 39.527 1.00 66.53 ? 75 ALA A O 1 ATOM 510 C CB . ALA A 1 75 ? 52.090 50.642 40.676 1.00 82.97 ? 75 ALA A CB 1 ATOM 511 N N . GLU A 1 76 ? 51.628 52.113 38.135 1.00 58.29 ? 76 GLU A N 1 ATOM 512 C CA . GLU A 1 76 ? 52.062 52.839 36.949 1.00 63.98 ? 76 GLU A CA 1 ATOM 513 C C . GLU A 1 76 ? 51.264 54.124 36.751 1.00 55.89 ? 76 GLU A C 1 ATOM 514 O O . GLU A 1 76 ? 51.835 55.180 36.528 1.00 52.48 ? 76 GLU A O 1 ATOM 515 C CB . GLU A 1 76 ? 51.925 51.974 35.681 1.00 65.58 ? 76 GLU A CB 1 ATOM 516 C CG . GLU A 1 76 ? 52.500 50.558 35.778 1.00 91.52 ? 76 GLU A CG 1 ATOM 517 C CD . GLU A 1 76 ? 53.739 50.464 36.667 1.00 100.38 ? 76 GLU A CD 1 ATOM 518 O OE1 . GLU A 1 76 ? 54.683 51.274 36.488 1.00 95.41 ? 76 GLU A OE1 1 ATOM 519 O OE2 . GLU A 1 76 ? 53.765 49.568 37.546 1.00 100.38 ? 76 GLU A OE2 1 ATOM 520 N N . PHE A 1 77 ? 49.942 54.020 36.837 1.00 52.95 ? 77 PHE A N 1 ATOM 521 C CA . PHE A 1 77 ? 49.073 55.167 36.643 1.00 48.88 ? 77 PHE A CA 1 ATOM 522 C C . PHE A 1 77 ? 49.495 56.353 37.491 1.00 55.68 ? 77 PHE A C 1 ATOM 523 O O . PHE A 1 77 ? 49.816 57.417 36.956 1.00 46.98 ? 77 PHE A O 1 ATOM 524 C CB . PHE A 1 77 ? 47.635 54.815 36.971 1.00 46.06 ? 77 PHE A CB 1 ATOM 525 C CG . PHE A 1 77 ? 46.669 55.910 36.656 1.00 65.95 ? 77 PHE A CG 1 ATOM 526 C CD1 . PHE A 1 77 ? 46.281 56.156 35.338 1.00 57.75 ? 77 PHE A CD1 1 ATOM 527 C CD2 . PHE A 1 77 ? 46.149 56.707 37.671 1.00 64.13 ? 77 PHE A CD2 1 ATOM 528 C CE1 . PHE A 1 77 ? 45.388 57.178 35.036 1.00 60.33 ? 77 PHE A CE1 1 ATOM 529 C CE2 . PHE A 1 77 ? 45.252 57.734 37.378 1.00 50.37 ? 77 PHE A CE2 1 ATOM 530 C CZ . PHE A 1 77 ? 44.872 57.967 36.058 1.00 43.75 ? 77 PHE A CZ 1 ATOM 531 N N . ASN A 1 78 ? 49.498 56.159 38.807 1.00 49.78 ? 78 ASN A N 1 ATOM 532 C CA . ASN A 1 78 ? 49.877 57.205 39.738 1.00 54.35 ? 78 ASN A CA 1 ATOM 533 C C . ASN A 1 78 ? 51.297 57.682 39.464 1.00 52.19 ? 78 ASN A C 1 ATOM 534 O O . ASN A 1 78 ? 51.620 58.851 39.695 1.00 55.22 ? 78 ASN A O 1 ATOM 535 C CB . ASN A 1 78 ? 49.758 56.725 41.201 1.00 56.66 ? 78 ASN A CB 1 ATOM 536 C CG . ASN A 1 78 ? 48.359 56.204 41.546 1.00 56.40 ? 78 ASN A CG 1 ATOM 537 O OD1 . ASN A 1 78 ? 47.353 56.609 40.955 1.00 65.54 ? 78 ASN A OD1 1 ATOM 538 N ND2 . ASN A 1 78 ? 48.296 55.306 42.523 1.00 71.38 ? 78 ASN A ND2 1 ATOM 539 N N . LYS A 1 79 ? 52.144 56.801 38.952 1.00 46.70 ? 79 LYS A N 1 ATOM 540 C CA . LYS A 1 79 ? 53.520 57.199 38.662 1.00 52.17 ? 79 LYS A CA 1 ATOM 541 C C . LYS A 1 79 ? 53.572 58.027 37.394 1.00 51.95 ? 79 LYS A C 1 ATOM 542 O O . LYS A 1 79 ? 54.331 58.992 37.299 1.00 59.40 ? 79 LYS A O 1 ATOM 543 C CB . LYS A 1 79 ? 54.421 55.965 38.514 1.00 66.71 ? 79 LYS A CB 1 ATOM 544 C CG . LYS A 1 79 ? 54.583 55.170 39.815 1.00 89.69 ? 79 LYS A CG 1 ATOM 545 C CD . LYS A 1 79 ? 55.253 53.810 39.598 1.00 100.38 ? 79 LYS A CD 1 ATOM 546 C CE . LYS A 1 79 ? 55.259 52.986 40.894 1.00 100.38 ? 79 LYS A CE 1 ATOM 547 N NZ . LYS A 1 79 ? 55.773 51.599 40.711 1.00 98.12 ? 79 LYS A NZ 1 ATOM 548 N N . LYS A 1 80 ? 52.756 57.640 36.419 1.00 50.72 ? 80 LYS A N 1 ATOM 549 C CA . LYS A 1 80 ? 52.687 58.333 35.139 1.00 50.70 ? 80 LYS A CA 1 ATOM 550 C C . LYS A 1 80 ? 52.176 59.748 35.400 1.00 53.92 ? 80 LYS A C 1 ATOM 551 O O . LYS A 1 80 ? 52.714 60.713 34.873 1.00 51.63 ? 80 LYS A O 1 ATOM 552 C CB . LYS A 1 80 ? 51.724 57.610 34.191 1.00 43.72 ? 80 LYS A CB 1 ATOM 553 C CG . LYS A 1 80 ? 51.886 58.017 32.742 1.00 48.80 ? 80 LYS A CG 1 ATOM 554 C CD . LYS A 1 80 ? 53.214 57.502 32.178 1.00 61.03 ? 80 LYS A CD 1 ATOM 555 C CE . LYS A 1 80 ? 53.585 58.141 30.824 1.00 82.19 ? 80 LYS A CE 1 ATOM 556 N NZ . LYS A 1 80 ? 54.054 59.577 30.899 1.00 76.71 ? 80 LYS A NZ 1 ATOM 557 N N . ALA A 1 81 ? 51.137 59.835 36.228 1.00 49.44 ? 81 ALA A N 1 ATOM 558 C CA . ALA A 1 81 ? 50.492 61.082 36.614 1.00 47.60 ? 81 ALA A CA 1 ATOM 559 C C . ALA A 1 81 ? 51.460 62.093 37.204 1.00 49.53 ? 81 ALA A C 1 ATOM 560 O O . ALA A 1 81 ? 51.436 63.274 36.850 1.00 51.12 ? 81 ALA A O 1 ATOM 561 C CB . ALA A 1 81 ? 49.386 60.792 37.614 1.00 43.19 ? 81 ALA A CB 1 ATOM 562 N N . ASP A 1 82 ? 52.290 61.634 38.127 1.00 46.81 ? 82 ASP A N 1 ATOM 563 C CA . ASP A 1 82 ? 53.278 62.498 38.766 1.00 52.54 ? 82 ASP A CA 1 ATOM 564 C C . ASP A 1 82 ? 54.320 62.910 37.718 1.00 51.66 ? 82 ASP A C 1 ATOM 565 O O . ASP A 1 82 ? 54.816 64.041 37.713 1.00 51.37 ? 82 ASP A O 1 ATOM 566 C CB . ASP A 1 82 ? 53.966 61.747 39.925 1.00 54.53 ? 82 ASP A CB 1 ATOM 567 C CG . ASP A 1 82 ? 53.018 61.461 41.107 1.00 67.47 ? 82 ASP A CG 1 ATOM 568 O OD1 . ASP A 1 82 ? 51.786 61.623 40.968 1.00 80.90 ? 82 ASP A OD1 1 ATOM 569 O OD2 . ASP A 1 82 ? 53.511 61.060 42.189 1.00 84.32 ? 82 ASP A OD2 1 ATOM 570 N N . GLU A 1 83 ? 54.639 61.972 36.833 1.00 49.33 ? 83 GLU A N 1 ATOM 571 C CA . GLU A 1 83 ? 55.613 62.179 35.759 1.00 50.76 ? 83 GLU A CA 1 ATOM 572 C C . GLU A 1 83 ? 55.147 63.197 34.709 1.00 50.48 ? 83 GLU A C 1 ATOM 573 O O . GLU A 1 83 ? 55.898 64.095 34.316 1.00 50.76 ? 83 GLU A O 1 ATOM 574 C CB . GLU A 1 83 ? 55.890 60.823 35.088 1.00 52.27 ? 83 GLU A CB 1 ATOM 575 C CG . GLU A 1 83 ? 56.705 60.850 33.802 1.00 68.35 ? 83 GLU A CG 1 ATOM 576 C CD . GLU A 1 83 ? 57.025 59.437 33.292 1.00 86.48 ? 83 GLU A CD 1 ATOM 577 O OE1 . GLU A 1 83 ? 56.129 58.568 33.375 1.00 79.76 ? 83 GLU A OE1 1 ATOM 578 O OE2 . GLU A 1 83 ? 58.158 59.190 32.799 1.00 90.94 ? 83 GLU A OE2 1 ATOM 579 N N . ASN A 1 84 ? 53.900 63.061 34.268 1.00 43.56 ? 84 ASN A N 1 ATOM 580 C CA . ASN A 1 84 ? 53.373 63.946 33.249 1.00 38.00 ? 84 ASN A CA 1 ATOM 581 C C . ASN A 1 84 ? 53.155 65.361 33.747 1.00 39.03 ? 84 ASN A C 1 ATOM 582 O O . ASN A 1 84 ? 53.223 66.312 32.973 1.00 39.93 ? 84 ASN A O 1 ATOM 583 C CB . ASN A 1 84 ? 52.068 63.396 32.691 1.00 37.64 ? 84 ASN A CB 1 ATOM 584 C CG . ASN A 1 84 ? 52.269 62.197 31.770 1.00 49.82 ? 84 ASN A CG 1 ATOM 585 O OD1 . ASN A 1 84 ? 53.349 62.012 31.180 1.00 55.91 ? 84 ASN A OD1 1 ATOM 586 N ND2 . ASN A 1 84 ? 51.211 61.386 31.621 1.00 34.14 ? 84 ASN A ND2 1 ATOM 587 N N . LYS A 1 85 ? 52.897 65.505 35.037 1.00 35.53 ? 85 LYS A N 1 ATOM 588 C CA . LYS A 1 85 ? 52.659 66.819 35.600 1.00 50.36 ? 85 LYS A CA 1 ATOM 589 C C . LYS A 1 85 ? 53.997 67.543 35.600 1.00 57.53 ? 85 LYS A C 1 ATOM 590 O O . LYS A 1 85 ? 54.110 68.729 35.240 1.00 52.01 ? 85 LYS A O 1 ATOM 591 C CB . LYS A 1 85 ? 52.103 66.690 37.022 1.00 48.72 ? 85 LYS A CB 1 ATOM 592 C CG . LYS A 1 85 ? 51.708 68.015 37.654 1.00 45.31 ? 85 LYS A CG 1 ATOM 593 C CD . LYS A 1 85 ? 50.597 68.713 36.853 1.00 59.47 ? 85 LYS A CD 1 ATOM 594 C CE . LYS A 1 85 ? 50.323 70.126 37.381 1.00 60.89 ? 85 LYS A CE 1 ATOM 595 N NZ . LYS A 1 85 ? 50.001 70.171 38.849 1.00 60.23 ? 85 LYS A NZ 1 ATOM 596 N N . VAL A 1 86 ? 55.022 66.805 35.991 1.00 52.42 ? 86 VAL A N 1 ATOM 597 C CA . VAL A 1 86 ? 56.350 67.359 36.023 1.00 49.49 ? 86 VAL A CA 1 ATOM 598 C C . VAL A 1 86 ? 56.756 67.769 34.620 1.00 48.13 ? 86 VAL A C 1 ATOM 599 O O . VAL A 1 86 ? 57.245 68.879 34.433 1.00 49.36 ? 86 VAL A O 1 ATOM 600 C CB . VAL A 1 86 ? 57.327 66.346 36.641 1.00 59.41 ? 86 VAL A CB 1 ATOM 601 C CG1 . VAL A 1 86 ? 58.785 66.698 36.300 1.00 35.97 ? 86 VAL A CG1 1 ATOM 602 C CG2 . VAL A 1 86 ? 57.099 66.332 38.159 1.00 42.66 ? 86 VAL A CG2 1 ATOM 603 N N . LYS A 1 87 ? 56.532 66.894 33.639 1.00 40.02 ? 87 LYS A N 1 ATOM 604 C CA . LYS A 1 87 ? 56.877 67.210 32.250 1.00 53.34 ? 87 LYS A CA 1 ATOM 605 C C . LYS A 1 87 ? 56.021 68.356 31.756 1.00 53.49 ? 87 LYS A C 1 ATOM 606 O O . LYS A 1 87 ? 56.484 69.223 31.024 1.00 53.25 ? 87 LYS A O 1 ATOM 607 C CB . LYS A 1 87 ? 56.624 66.028 31.323 1.00 59.73 ? 87 LYS A CB 1 ATOM 608 C CG . LYS A 1 87 ? 57.444 64.770 31.592 1.00 73.27 ? 87 LYS A CG 1 ATOM 609 C CD . LYS A 1 87 ? 57.074 63.724 30.542 1.00 76.23 ? 87 LYS A CD 1 ATOM 610 C CE . LYS A 1 87 ? 57.475 62.327 30.940 1.00 76.57 ? 87 LYS A CE 1 ATOM 611 N NZ . LYS A 1 87 ? 56.399 61.360 30.535 1.00 86.62 ? 87 LYS A NZ 1 ATOM 612 N N . GLY A 1 88 ? 54.757 68.337 32.159 1.00 54.71 ? 88 GLY A N 1 ATOM 613 C CA . GLY A 1 88 ? 53.836 69.377 31.754 1.00 48.08 ? 88 GLY A CA 1 ATOM 614 C C . GLY A 1 88 ? 54.255 70.765 32.194 1.00 42.98 ? 88 GLY A C 1 ATOM 615 O O . GLY A 1 88 ? 54.138 71.724 31.431 1.00 43.95 ? 88 GLY A O 1 ATOM 616 N N . GLU A 1 89 ? 54.741 70.887 33.422 1.00 42.39 ? 89 GLU A N 1 ATOM 617 C CA . GLU A 1 89 ? 55.153 72.185 33.918 1.00 43.64 ? 89 GLU A CA 1 ATOM 618 C C . GLU A 1 89 ? 56.479 72.633 33.320 1.00 48.72 ? 89 GLU A C 1 ATOM 619 O O . GLU A 1 89 ? 56.728 73.833 33.159 1.00 49.57 ? 89 GLU A O 1 ATOM 620 C CB . GLU A 1 89 ? 55.204 72.149 35.443 1.00 40.61 ? 89 GLU A CB 1 ATOM 621 C CG . GLU A 1 89 ? 53.957 71.487 35.992 1.00 72.00 ? 89 GLU A CG 1 ATOM 622 C CD . GLU A 1 89 ? 53.471 72.074 37.307 1.00 97.40 ? 89 GLU A CD 1 ATOM 623 O OE1 . GLU A 1 89 ? 54.192 71.943 38.328 1.00 100.38 ? 89 GLU A OE1 1 ATOM 624 O OE2 . GLU A 1 89 ? 52.359 72.662 37.314 1.00 100.38 ? 89 GLU A OE2 1 ATOM 625 N N . ALA A 1 90 ? 57.325 71.678 32.959 1.00 44.24 ? 90 ALA A N 1 ATOM 626 C CA . ALA A 1 90 ? 58.615 72.028 32.363 1.00 48.70 ? 90 ALA A CA 1 ATOM 627 C C . ALA A 1 90 ? 58.356 72.576 30.964 1.00 45.01 ? 90 ALA A C 1 ATOM 628 O O . ALA A 1 90 ? 58.971 73.551 30.536 1.00 51.28 ? 90 ALA A O 1 ATOM 629 C CB . ALA A 1 90 ? 59.515 70.799 32.287 1.00 44.86 ? 90 ALA A CB 1 ATOM 630 N N . PHE A 1 91 ? 57.429 71.942 30.258 1.00 39.25 ? 91 PHE A N 1 ATOM 631 C CA . PHE A 1 91 ? 57.075 72.372 28.916 1.00 39.00 ? 91 PHE A CA 1 ATOM 632 C C . PHE A 1 91 ? 56.532 73.807 28.889 1.00 42.62 ? 91 PHE A C 1 ATOM 633 O O . PHE A 1 91 ? 56.941 74.627 28.068 1.00 40.36 ? 91 PHE A O 1 ATOM 634 C CB . PHE A 1 91 ? 56.016 71.446 28.317 1.00 35.95 ? 91 PHE A CB 1 ATOM 635 C CG . PHE A 1 91 ? 55.479 71.933 27.004 1.00 44.97 ? 91 PHE A CG 1 ATOM 636 C CD1 . PHE A 1 91 ? 56.234 71.814 25.845 1.00 41.30 ? 91 PHE A CD1 1 ATOM 637 C CD2 . PHE A 1 91 ? 54.241 72.571 26.936 1.00 37.17 ? 91 PHE A CD2 1 ATOM 638 C CE1 . PHE A 1 91 ? 55.767 72.331 24.615 1.00 52.31 ? 91 PHE A CE1 1 ATOM 639 C CE2 . PHE A 1 91 ? 53.764 73.090 25.726 1.00 36.62 ? 91 PHE A CE2 1 ATOM 640 C CZ . PHE A 1 91 ? 54.533 72.969 24.560 1.00 52.60 ? 91 PHE A CZ 1 ATOM 641 N N . LEU A 1 92 ? 55.604 74.101 29.789 1.00 33.41 ? 92 LEU A N 1 ATOM 642 C CA . LEU A 1 92 ? 54.995 75.404 29.821 1.00 41.97 ? 92 LEU A CA 1 ATOM 643 C C . LEU A 1 92 ? 55.992 76.470 30.225 1.00 45.98 ? 92 LEU A C 1 ATOM 644 O O . LEU A 1 92 ? 55.972 77.570 29.670 1.00 47.76 ? 92 LEU A O 1 ATOM 645 C CB . LEU A 1 92 ? 53.780 75.376 30.749 1.00 39.56 ? 92 LEU A CB 1 ATOM 646 C CG . LEU A 1 92 ? 52.709 74.403 30.251 1.00 35.13 ? 92 LEU A CG 1 ATOM 647 C CD1 . LEU A 1 92 ? 51.594 74.224 31.258 1.00 37.24 ? 92 LEU A CD1 1 ATOM 648 C CD2 . LEU A 1 92 ? 52.155 74.941 28.964 1.00 26.70 ? 92 LEU A CD2 1 ATOM 649 N N . THR A 1 93 ? 56.875 76.141 31.168 1.00 50.27 ? 93 THR A N 1 ATOM 650 C CA . THR A 1 93 ? 57.901 77.078 31.633 1.00 42.83 ? 93 THR A CA 1 ATOM 651 C C . THR A 1 93 ? 58.844 77.397 30.485 1.00 40.81 ? 93 THR A C 1 ATOM 652 O O . THR A 1 93 ? 59.200 78.548 30.237 1.00 49.87 ? 93 THR A O 1 ATOM 653 C CB . THR A 1 93 ? 58.658 76.475 32.798 1.00 48.85 ? 93 THR A CB 1 ATOM 654 O OG1 . THR A 1 93 ? 57.774 76.447 33.923 1.00 50.44 ? 93 THR A OG1 1 ATOM 655 C CG2 . THR A 1 93 ? 59.900 77.297 33.147 1.00 39.37 ? 93 THR A CG2 1 ATOM 656 N N . GLU A 1 94 ? 59.239 76.360 29.779 1.00 34.12 ? 94 GLU A N 1 ATOM 657 C CA . GLU A 1 94 ? 60.085 76.508 28.622 1.00 43.98 ? 94 GLU A CA 1 ATOM 658 C C . GLU A 1 94 ? 59.339 77.363 27.565 1.00 49.23 ? 94 GLU A C 1 ATOM 659 O O . GLU A 1 94 ? 59.879 78.322 27.016 1.00 45.87 ? 94 GLU A O 1 ATOM 660 C CB . GLU A 1 94 ? 60.386 75.114 28.063 1.00 38.73 ? 94 GLU A CB 1 ATOM 661 C CG . GLU A 1 94 ? 60.827 75.101 26.615 1.00 53.39 ? 94 GLU A CG 1 ATOM 662 C CD . GLU A 1 94 ? 62.314 75.298 26.438 1.00 70.14 ? 94 GLU A CD 1 ATOM 663 O OE1 . GLU A 1 94 ? 62.880 76.207 27.092 1.00 70.60 ? 94 GLU A OE1 1 ATOM 664 O OE2 . GLU A 1 94 ? 62.910 74.543 25.628 1.00 75.60 ? 94 GLU A OE2 1 ATOM 665 N N . ASN A 1 95 ? 58.081 77.021 27.308 1.00 41.69 ? 95 ASN A N 1 ATOM 666 C CA . ASN A 1 95 ? 57.281 77.720 26.303 1.00 43.41 ? 95 ASN A CA 1 ATOM 667 C C . ASN A 1 95 ? 56.950 79.201 26.569 1.00 41.42 ? 95 ASN A C 1 ATOM 668 O O . ASN A 1 95 ? 56.837 79.991 25.637 1.00 41.87 ? 95 ASN A O 1 ATOM 669 C CB . ASN A 1 95 ? 55.983 76.955 26.091 1.00 30.43 ? 95 ASN A CB 1 ATOM 670 C CG . ASN A 1 95 ? 55.383 77.219 24.749 1.00 47.09 ? 95 ASN A CG 1 ATOM 671 O OD1 . ASN A 1 95 ? 56.032 76.987 23.732 1.00 39.02 ? 95 ASN A OD1 1 ATOM 672 N ND2 . ASN A 1 95 ? 54.133 77.705 24.724 1.00 26.56 ? 95 ASN A ND2 1 ATOM 673 N N . LYS A 1 96 ? 56.775 79.562 27.834 1.00 32.26 ? 96 LYS A N 1 ATOM 674 C CA . LYS A 1 96 ? 56.428 80.924 28.218 1.00 46.07 ? 96 LYS A CA 1 ATOM 675 C C . LYS A 1 96 ? 57.328 81.967 27.566 1.00 53.00 ? 96 LYS A C 1 ATOM 676 O O . LYS A 1 96 ? 56.889 83.084 27.299 1.00 43.94 ? 96 LYS A O 1 ATOM 677 C CB . LYS A 1 96 ? 56.498 81.073 29.750 1.00 49.17 ? 96 LYS A CB 1 ATOM 678 C CG . LYS A 1 96 ? 56.201 82.477 30.258 0.00 53.59 ? 96 LYS A CG 1 ATOM 679 C CD . LYS A 1 96 ? 56.243 82.545 31.779 0.00 57.36 ? 96 LYS A CD 1 ATOM 680 C CE . LYS A 1 96 ? 55.178 81.657 32.406 0.00 59.89 ? 96 LYS A CE 1 ATOM 681 N NZ . LYS A 1 96 ? 55.194 81.735 33.893 0.00 61.97 ? 96 LYS A NZ 1 ATOM 682 N N . ASN A 1 97 ? 58.581 81.583 27.323 1.00 52.42 ? 97 ASN A N 1 ATOM 683 C CA . ASN A 1 97 ? 59.586 82.458 26.739 1.00 52.32 ? 97 ASN A CA 1 ATOM 684 C C . ASN A 1 97 ? 59.481 82.585 25.236 1.00 52.39 ? 97 ASN A C 1 ATOM 685 O O . ASN A 1 97 ? 59.583 83.683 24.705 1.00 61.03 ? 97 ASN A O 1 ATOM 686 C CB . ASN A 1 97 ? 60.993 81.934 27.056 1.00 57.21 ? 97 ASN A CB 1 ATOM 687 C CG . ASN A 1 97 ? 61.257 81.843 28.533 1.00 76.27 ? 97 ASN A CG 1 ATOM 688 O OD1 . ASN A 1 97 ? 61.167 82.842 29.246 1.00 78.05 ? 97 ASN A OD1 1 ATOM 689 N ND2 . ASN A 1 97 ? 61.578 80.639 29.012 1.00 76.82 ? 97 ASN A ND2 1 ATOM 690 N N . LYS A 1 98 ? 59.306 81.446 24.563 1.00 54.23 ? 98 LYS A N 1 ATOM 691 C CA . LYS A 1 98 ? 59.245 81.373 23.104 1.00 53.44 ? 98 LYS A CA 1 ATOM 692 C C . LYS A 1 98 ? 58.540 82.515 22.400 1.00 51.92 ? 98 LYS A C 1 ATOM 693 O O . LYS A 1 98 ? 57.554 83.051 22.873 1.00 45.64 ? 98 LYS A O 1 ATOM 694 C CB . LYS A 1 98 ? 58.672 80.032 22.661 1.00 41.64 ? 98 LYS A CB 1 ATOM 695 C CG . LYS A 1 98 ? 59.562 78.873 23.047 1.00 44.52 ? 98 LYS A CG 1 ATOM 696 C CD . LYS A 1 98 ? 59.137 77.608 22.332 1.00 55.36 ? 98 LYS A CD 1 ATOM 697 C CE . LYS A 1 98 ? 60.081 76.463 22.657 1.00 57.85 ? 98 LYS A CE 1 ATOM 698 N NZ . LYS A 1 98 ? 59.752 75.282 21.805 1.00 63.64 ? 98 LYS A NZ 1 ATOM 699 N N . PRO A 1 99 ? 59.058 82.899 21.240 1.00 54.81 ? 99 PRO A N 1 ATOM 700 C CA . PRO A 1 99 ? 58.508 83.992 20.432 1.00 50.75 ? 99 PRO A CA 1 ATOM 701 C C . PRO A 1 99 ? 57.005 83.887 20.268 1.00 47.04 ? 99 PRO A C 1 ATOM 702 O O . PRO A 1 99 ? 56.468 82.806 19.988 1.00 43.72 ? 99 PRO A O 1 ATOM 703 C CB . PRO A 1 99 ? 59.225 83.836 19.088 1.00 49.12 ? 99 PRO A CB 1 ATOM 704 C CG . PRO A 1 99 ? 60.502 83.133 19.443 1.00 54.53 ? 99 PRO A CG 1 ATOM 705 C CD . PRO A 1 99 ? 60.055 82.126 20.481 1.00 48.08 ? 99 PRO A CD 1 ATOM 706 N N . GLY A 1 100 ? 56.337 85.012 20.460 1.00 35.48 ? 100 GLY A N 1 ATOM 707 C CA . GLY A 1 100 ? 54.898 85.072 20.290 1.00 34.00 ? 100 GLY A CA 1 ATOM 708 C C . GLY A 1 100 ? 53.974 84.494 21.337 1.00 34.64 ? 100 GLY A C 1 ATOM 709 O O . GLY A 1 100 ? 52.770 84.689 21.264 1.00 36.36 ? 100 GLY A O 1 ATOM 710 N N . VAL A 1 101 ? 54.513 83.813 22.333 1.00 42.31 ? 101 VAL A N 1 ATOM 711 C CA . VAL A 1 101 ? 53.656 83.184 23.330 1.00 41.41 ? 101 VAL A CA 1 ATOM 712 C C . VAL A 1 101 ? 53.144 84.109 24.428 1.00 41.41 ? 101 VAL A C 1 ATOM 713 O O . VAL A 1 101 ? 53.917 84.816 25.062 1.00 42.71 ? 101 VAL A O 1 ATOM 714 C CB . VAL A 1 101 ? 54.373 81.971 23.959 1.00 31.57 ? 101 VAL A CB 1 ATOM 715 C CG1 . VAL A 1 101 ? 53.530 81.350 25.065 1.00 32.00 ? 101 VAL A CG1 1 ATOM 716 C CG2 . VAL A 1 101 ? 54.666 80.943 22.885 1.00 36.50 ? 101 VAL A CG2 1 ATOM 717 N N . VAL A 1 102 ? 51.824 84.105 24.614 1.00 41.34 ? 102 VAL A N 1 ATOM 718 C CA . VAL A 1 102 ? 51.160 84.897 25.644 1.00 38.81 ? 102 VAL A CA 1 ATOM 719 C C . VAL A 1 102 ? 50.729 83.928 26.733 1.00 44.50 ? 102 VAL A C 1 ATOM 720 O O . VAL A 1 102 ? 50.199 82.854 26.435 1.00 42.67 ? 102 VAL A O 1 ATOM 721 C CB . VAL A 1 102 ? 49.875 85.557 25.142 1.00 45.52 ? 102 VAL A CB 1 ATOM 722 C CG1 . VAL A 1 102 ? 49.267 86.370 26.268 1.00 33.45 ? 102 VAL A CG1 1 ATOM 723 C CG2 . VAL A 1 102 ? 50.155 86.425 23.945 1.00 39.14 ? 102 VAL A CG2 1 ATOM 724 N N . VAL A 1 103 ? 50.968 84.300 27.986 1.00 40.99 ? 103 VAL A N 1 ATOM 725 C CA . VAL A 1 103 ? 50.586 83.483 29.137 1.00 38.44 ? 103 VAL A CA 1 ATOM 726 C C . VAL A 1 103 ? 49.404 84.185 29.791 1.00 36.55 ? 103 VAL A C 1 ATOM 727 O O . VAL A 1 103 ? 49.435 85.391 29.996 1.00 43.05 ? 103 VAL A O 1 ATOM 728 C CB . VAL A 1 103 ? 51.721 83.387 30.144 1.00 39.77 ? 103 VAL A CB 1 ATOM 729 C CG1 . VAL A 1 103 ? 51.289 82.569 31.335 1.00 36.40 ? 103 VAL A CG1 1 ATOM 730 C CG2 . VAL A 1 103 ? 52.924 82.769 29.482 1.00 31.72 ? 103 VAL A CG2 1 ATOM 731 N N . LEU A 1 104 ? 48.351 83.435 30.078 1.00 39.44 ? 104 LEU A N 1 ATOM 732 C CA . LEU A 1 104 ? 47.144 83.987 30.684 1.00 31.18 ? 104 LEU A CA 1 ATOM 733 C C . LEU A 1 104 ? 47.070 83.688 32.198 1.00 32.93 ? 104 LEU A C 1 ATOM 734 O O . LEU A 1 104 ? 47.736 82.778 32.688 1.00 35.77 ? 104 LEU A O 1 ATOM 735 C CB . LEU A 1 104 ? 45.940 83.375 29.991 1.00 35.77 ? 104 LEU A CB 1 ATOM 736 C CG . LEU A 1 104 ? 45.723 83.770 28.544 1.00 44.08 ? 104 LEU A CG 1 ATOM 737 C CD1 . LEU A 1 104 ? 44.757 82.772 27.907 1.00 32.36 ? 104 LEU A CD1 1 ATOM 738 C CD2 . LEU A 1 104 ? 45.170 85.202 28.483 1.00 33.07 ? 104 LEU A CD2 1 ATOM 739 N N . PRO A 1 105 ? 46.248 84.450 32.954 1.00 42.93 ? 105 PRO A N 1 ATOM 740 C CA . PRO A 1 105 ? 46.124 84.222 34.396 1.00 38.73 ? 105 PRO A CA 1 ATOM 741 C C . PRO A 1 105 ? 45.958 82.733 34.756 1.00 39.22 ? 105 PRO A C 1 ATOM 742 O O . PRO A 1 105 ? 46.580 82.254 35.700 1.00 33.54 ? 105 PRO A O 1 ATOM 743 C CB . PRO A 1 105 ? 44.895 85.047 34.765 1.00 37.22 ? 105 PRO A CB 1 ATOM 744 C CG . PRO A 1 105 ? 44.958 86.188 33.822 1.00 37.21 ? 105 PRO A CG 1 ATOM 745 C CD . PRO A 1 105 ? 45.356 85.545 32.520 1.00 34.43 ? 105 PRO A CD 1 ATOM 746 N N . SER A 1 106 ? 45.144 82.005 33.983 1.00 40.27 ? 106 SER A N 1 ATOM 747 C CA . SER A 1 106 ? 44.896 80.579 34.235 1.00 28.02 ? 106 SER A CA 1 ATOM 748 C C . SER A 1 106 ? 46.053 79.625 33.896 1.00 32.53 ? 106 SER A C 1 ATOM 749 O O . SER A 1 106 ? 45.971 78.396 34.128 1.00 34.70 ? 106 SER A O 1 ATOM 750 C CB . SER A 1 106 ? 43.636 80.132 33.483 1.00 17.73 ? 106 SER A CB 1 ATOM 751 O OG . SER A 1 106 ? 43.804 80.184 32.079 1.00 27.41 ? 106 SER A OG 1 ATOM 752 N N . GLY A 1 107 ? 47.143 80.174 33.366 1.00 36.59 ? 107 GLY A N 1 ATOM 753 C CA . GLY A 1 107 ? 48.278 79.328 33.009 1.00 34.70 ? 107 GLY A CA 1 ATOM 754 C C . GLY A 1 107 ? 48.181 78.886 31.555 1.00 39.66 ? 107 GLY A C 1 ATOM 755 O O . GLY A 1 107 ? 49.134 78.368 30.991 1.00 31.45 ? 107 GLY A O 1 ATOM 756 N N . LEU A 1 108 ? 47.007 79.077 30.954 1.00 35.50 ? 108 LEU A N 1 ATOM 757 C CA . LEU A 1 108 ? 46.805 78.747 29.553 1.00 31.70 ? 108 LEU A CA 1 ATOM 758 C C . LEU A 1 108 ? 47.705 79.692 28.774 1.00 35.02 ? 108 LEU A C 1 ATOM 759 O O . LEU A 1 108 ? 47.799 80.883 29.096 1.00 35.39 ? 108 LEU A O 1 ATOM 760 C CB . LEU A 1 108 ? 45.345 78.994 29.155 1.00 25.84 ? 108 LEU A CB 1 ATOM 761 C CG . LEU A 1 108 ? 44.981 78.909 27.678 1.00 35.21 ? 108 LEU A CG 1 ATOM 762 C CD1 . LEU A 1 108 ? 45.209 77.488 27.171 1.00 32.75 ? 108 LEU A CD1 1 ATOM 763 C CD2 . LEU A 1 108 ? 43.522 79.344 27.490 1.00 36.09 ? 108 LEU A CD2 1 ATOM 764 N N . GLN A 1 109 ? 48.349 79.158 27.743 1.00 35.94 ? 109 GLN A N 1 ATOM 765 C CA . GLN A 1 109 ? 49.235 79.931 26.890 1.00 30.32 ? 109 GLN A CA 1 ATOM 766 C C . GLN A 1 109 ? 48.754 79.800 25.466 1.00 34.47 ? 109 GLN A C 1 ATOM 767 O O . GLN A 1 109 ? 48.202 78.764 25.075 1.00 28.28 ? 109 GLN A O 1 ATOM 768 C CB . GLN A 1 109 ? 50.685 79.390 26.963 1.00 25.33 ? 109 GLN A CB 1 ATOM 769 C CG . GLN A 1 109 ? 51.205 79.224 28.409 1.00 31.93 ? 109 GLN A CG 1 ATOM 770 C CD . GLN A 1 109 ? 52.695 78.885 28.514 1.00 43.11 ? 109 GLN A CD 1 ATOM 771 O OE1 . GLN A 1 109 ? 53.245 78.834 29.615 1.00 44.61 ? 109 GLN A OE1 1 ATOM 772 N NE2 . GLN A 1 109 ? 53.345 78.653 27.382 1.00 35.04 ? 109 GLN A NE2 1 ATOM 773 N N . TYR A 1 110 ? 48.951 80.853 24.688 1.00 29.36 ? 110 TYR A N 1 ATOM 774 C CA . TYR A 1 110 ? 48.600 80.801 23.285 1.00 31.49 ? 110 TYR A CA 1 ATOM 775 C C . TYR A 1 110 ? 49.601 81.630 22.460 1.00 35.96 ? 110 TYR A C 1 ATOM 776 O O . TYR A 1 110 ? 50.372 82.450 22.975 1.00 36.81 ? 110 TYR A O 1 ATOM 777 C CB . TYR A 1 110 ? 47.163 81.284 23.039 1.00 33.05 ? 110 TYR A CB 1 ATOM 778 C CG . TYR A 1 110 ? 46.973 82.770 23.177 1.00 34.97 ? 110 TYR A CG 1 ATOM 779 C CD1 . TYR A 1 110 ? 47.149 83.628 22.089 1.00 38.25 ? 110 TYR A CD1 1 ATOM 780 C CD2 . TYR A 1 110 ? 46.646 83.327 24.408 1.00 26.73 ? 110 TYR A CD2 1 ATOM 781 C CE1 . TYR A 1 110 ? 47.002 85.025 22.244 1.00 30.79 ? 110 TYR A CE1 1 ATOM 782 C CE2 . TYR A 1 110 ? 46.498 84.686 24.566 1.00 25.76 ? 110 TYR A CE2 1 ATOM 783 C CZ . TYR A 1 110 ? 46.676 85.528 23.492 1.00 31.72 ? 110 TYR A CZ 1 ATOM 784 O OH . TYR A 1 110 ? 46.530 86.867 23.707 1.00 34.24 ? 110 TYR A OH 1 ATOM 785 N N . LYS A 1 111 ? 49.575 81.388 21.162 1.00 36.69 ? 111 LYS A N 1 ATOM 786 C CA . LYS A 1 111 ? 50.444 82.060 20.221 1.00 41.83 ? 111 LYS A CA 1 ATOM 787 C C . LYS A 1 111 ? 49.525 82.323 19.054 1.00 38.33 ? 111 LYS A C 1 ATOM 788 O O . LYS A 1 111 ? 48.843 81.398 18.606 1.00 35.57 ? 111 LYS A O 1 ATOM 789 C CB . LYS A 1 111 ? 51.555 81.099 19.800 1.00 24.70 ? 111 LYS A CB 1 ATOM 790 C CG . LYS A 1 111 ? 52.405 81.570 18.664 1.00 38.58 ? 111 LYS A CG 1 ATOM 791 C CD . LYS A 1 111 ? 53.325 80.436 18.293 1.00 38.18 ? 111 LYS A CD 1 ATOM 792 C CE . LYS A 1 111 ? 54.266 80.823 17.206 1.00 39.10 ? 111 LYS A CE 1 ATOM 793 N NZ . LYS A 1 111 ? 55.265 79.721 16.991 1.00 55.04 ? 111 LYS A NZ 1 ATOM 794 N N . VAL A 1 112 ? 49.475 83.561 18.572 1.00 33.33 ? 112 VAL A N 1 ATOM 795 C CA . VAL A 1 112 ? 48.614 83.851 17.431 1.00 31.61 ? 112 VAL A CA 1 ATOM 796 C C . VAL A 1 112 ? 49.265 83.531 16.076 1.00 30.73 ? 112 VAL A C 1 ATOM 797 O O . VAL A 1 112 ? 50.208 84.187 15.682 1.00 43.66 ? 112 VAL A O 1 ATOM 798 C CB . VAL A 1 112 ? 48.184 85.331 17.421 1.00 40.58 ? 112 VAL A CB 1 ATOM 799 C CG1 . VAL A 1 112 ? 47.276 85.610 16.197 1.00 28.72 ? 112 VAL A CG1 1 ATOM 800 C CG2 . VAL A 1 112 ? 47.439 85.654 18.714 1.00 33.16 ? 112 VAL A CG2 1 ATOM 801 N N . ILE A 1 113 ? 48.776 82.499 15.391 1.00 35.16 ? 113 ILE A N 1 ATOM 802 C CA . ILE A 1 113 ? 49.270 82.151 14.059 1.00 28.03 ? 113 ILE A CA 1 ATOM 803 C C . ILE A 1 113 ? 48.716 83.188 13.061 1.00 41.00 ? 113 ILE A C 1 ATOM 804 O O . ILE A 1 113 ? 49.452 83.719 12.238 1.00 45.85 ? 113 ILE A O 1 ATOM 805 C CB . ILE A 1 113 ? 48.768 80.786 13.608 1.00 34.66 ? 113 ILE A CB 1 ATOM 806 C CG1 . ILE A 1 113 ? 48.992 79.766 14.723 1.00 29.79 ? 113 ILE A CG1 1 ATOM 807 C CG2 . ILE A 1 113 ? 49.507 80.360 12.318 1.00 27.60 ? 113 ILE A CG2 1 ATOM 808 C CD1 . ILE A 1 113 ? 50.444 79.616 15.069 1.00 50.15 ? 113 ILE A CD1 1 ATOM 809 N N . ASN A 1 114 ? 47.411 83.451 13.129 1.00 30.24 ? 114 ASN A N 1 ATOM 810 C CA . ASN A 1 114 ? 46.763 84.424 12.259 1.00 28.27 ? 114 ASN A CA 1 ATOM 811 C C . ASN A 1 114 ? 45.512 84.972 12.913 1.00 29.20 ? 114 ASN A C 1 ATOM 812 O O . ASN A 1 114 ? 44.625 84.231 13.297 1.00 32.37 ? 114 ASN A O 1 ATOM 813 C CB . ASN A 1 114 ? 46.374 83.816 10.924 1.00 29.04 ? 114 ASN A CB 1 ATOM 814 C CG . ASN A 1 114 ? 45.541 84.766 10.099 1.00 39.61 ? 114 ASN A CG 1 ATOM 815 O OD1 . ASN A 1 114 ? 44.301 84.623 9.988 1.00 38.54 ? 114 ASN A OD1 1 ATOM 816 N ND2 . ASN A 1 114 ? 46.204 85.768 9.530 1.00 24.55 ? 114 ASN A ND2 1 ATOM 817 N N . SER A 1 115 ? 45.423 86.280 12.992 1.00 26.12 ? 115 SER A N 1 ATOM 818 C CA . SER A 1 115 ? 44.309 86.903 13.656 1.00 32.01 ? 115 SER A CA 1 ATOM 819 C C . SER A 1 115 ? 43.089 87.137 12.766 1.00 32.30 ? 115 SER A C 1 ATOM 820 O O . SER A 1 115 ? 43.190 87.681 11.665 1.00 37.06 ? 115 SER A O 1 ATOM 821 C CB . SER A 1 115 ? 44.800 88.225 14.270 1.00 32.44 ? 115 SER A CB 1 ATOM 822 O OG . SER A 1 115 ? 43.969 88.646 15.334 1.00 56.02 ? 115 SER A OG 1 ATOM 823 N N . GLY A 1 116 ? 41.926 86.726 13.252 1.00 34.12 ? 116 GLY A N 1 ATOM 824 C CA . GLY A 1 116 ? 40.706 86.923 12.487 1.00 34.50 ? 116 GLY A CA 1 ATOM 825 C C . GLY A 1 116 ? 40.138 88.302 12.768 1.00 41.33 ? 116 GLY A C 1 ATOM 826 O O . GLY A 1 116 ? 40.782 89.093 13.452 1.00 36.25 ? 116 GLY A O 1 ATOM 827 N N . ASN A 1 117 ? 38.934 88.582 12.265 1.00 41.10 ? 117 ASN A N 1 ATOM 828 C CA . ASN A 1 117 ? 38.290 89.870 12.489 1.00 38.93 ? 117 ASN A CA 1 ATOM 829 C C . ASN A 1 117 ? 36.807 89.726 12.825 1.00 38.67 ? 117 ASN A C 1 ATOM 830 O O . ASN A 1 117 ? 36.096 90.727 12.954 1.00 43.40 ? 117 ASN A O 1 ATOM 831 C CB . ASN A 1 117 ? 38.469 90.798 11.267 1.00 27.73 ? 117 ASN A CB 1 ATOM 832 C CG . ASN A 1 117 ? 37.925 90.192 9.965 1.00 35.85 ? 117 ASN A CG 1 ATOM 833 O OD1 . ASN A 1 117 ? 36.757 89.779 9.886 1.00 28.96 ? 117 ASN A OD1 1 ATOM 834 N ND2 . ASN A 1 117 ? 38.775 90.148 8.932 1.00 33.15 ? 117 ASN A ND2 1 ATOM 835 N N . GLY A 1 118 ? 36.341 88.488 12.974 1.00 36.98 ? 118 GLY A N 1 ATOM 836 C CA . GLY A 1 118 ? 34.940 88.266 13.308 1.00 28.78 ? 118 GLY A CA 1 ATOM 837 C C . GLY A 1 118 ? 34.726 88.500 14.786 1.00 36.00 ? 118 GLY A C 1 ATOM 838 O O . GLY A 1 118 ? 35.634 88.970 15.475 1.00 34.47 ? 118 GLY A O 1 ATOM 839 N N . VAL A 1 119 ? 33.536 88.186 15.293 1.00 36.72 ? 119 VAL A N 1 ATOM 840 C CA . VAL A 1 119 ? 33.247 88.364 16.718 1.00 29.44 ? 119 VAL A CA 1 ATOM 841 C C . VAL A 1 119 ? 33.844 87.228 17.582 1.00 40.78 ? 119 VAL A C 1 ATOM 842 O O . VAL A 1 119 ? 34.062 86.112 17.106 1.00 33.30 ? 119 VAL A O 1 ATOM 843 C CB . VAL A 1 119 ? 31.723 88.357 16.990 1.00 36.71 ? 119 VAL A CB 1 ATOM 844 C CG1 . VAL A 1 119 ? 31.039 89.424 16.155 1.00 36.77 ? 119 VAL A CG1 1 ATOM 845 C CG2 . VAL A 1 119 ? 31.157 86.966 16.683 1.00 33.81 ? 119 VAL A CG2 1 ATOM 846 N N . LYS A 1 120 ? 34.083 87.528 18.856 1.00 38.09 ? 120 LYS A N 1 ATOM 847 C CA . LYS A 1 120 ? 34.597 86.559 19.805 1.00 36.87 ? 120 LYS A CA 1 ATOM 848 C C . LYS A 1 120 ? 33.393 85.800 20.335 1.00 43.98 ? 120 LYS A C 1 ATOM 849 O O . LYS A 1 120 ? 32.367 86.390 20.663 1.00 51.86 ? 120 LYS A O 1 ATOM 850 C CB . LYS A 1 120 ? 35.284 87.274 20.945 1.00 33.72 ? 120 LYS A CB 1 ATOM 851 C CG . LYS A 1 120 ? 36.498 88.090 20.540 1.00 39.30 ? 120 LYS A CG 1 ATOM 852 C CD . LYS A 1 120 ? 37.172 88.651 21.785 1.00 36.38 ? 120 LYS A CD 1 ATOM 853 C CE . LYS A 1 120 ? 38.501 89.347 21.463 1.00 39.17 ? 120 LYS A CE 1 ATOM 854 N NZ . LYS A 1 120 ? 38.286 90.711 20.943 1.00 44.17 ? 120 LYS A NZ 1 ATOM 855 N N . PRO A 1 121 ? 33.486 84.476 20.426 1.00 42.08 ? 121 PRO A N 1 ATOM 856 C CA . PRO A 1 121 ? 32.313 83.757 20.932 1.00 40.20 ? 121 PRO A CA 1 ATOM 857 C C . PRO A 1 121 ? 32.044 83.956 22.424 1.00 45.99 ? 121 PRO A C 1 ATOM 858 O O . PRO A 1 121 ? 32.971 84.193 23.204 1.00 36.92 ? 121 PRO A O 1 ATOM 859 C CB . PRO A 1 121 ? 32.634 82.308 20.580 1.00 50.37 ? 121 PRO A CB 1 ATOM 860 C CG . PRO A 1 121 ? 34.137 82.278 20.660 1.00 34.58 ? 121 PRO A CG 1 ATOM 861 C CD . PRO A 1 121 ? 34.532 83.547 19.980 1.00 31.81 ? 121 PRO A CD 1 ATOM 862 N N . GLY A 1 122 ? 30.765 83.863 22.798 1.00 46.26 ? 122 GLY A N 1 ATOM 863 C CA . GLY A 1 122 ? 30.352 84.008 24.187 1.00 33.78 ? 122 GLY A CA 1 ATOM 864 C C . GLY A 1 122 ? 30.294 82.637 24.830 1.00 44.25 ? 122 GLY A C 1 ATOM 865 O O . GLY A 1 122 ? 30.410 81.614 24.145 1.00 41.53 ? 122 GLY A O 1 ATOM 866 N N . LYS A 1 123 ? 30.086 82.601 26.138 1.00 39.66 ? 123 LYS A N 1 ATOM 867 C CA . LYS A 1 123 ? 30.062 81.342 26.850 1.00 43.30 ? 123 LYS A CA 1 ATOM 868 C C . LYS A 1 123 ? 29.049 80.331 26.360 1.00 46.27 ? 123 LYS A C 1 ATOM 869 O O . LYS A 1 123 ? 29.304 79.128 26.395 1.00 47.42 ? 123 LYS A O 1 ATOM 870 C CB . LYS A 1 123 ? 29.855 81.608 28.337 1.00 46.76 ? 123 LYS A CB 1 ATOM 871 C CG . LYS A 1 123 ? 30.867 82.622 28.908 1.00 57.46 ? 123 LYS A CG 1 ATOM 872 C CD . LYS A 1 123 ? 30.591 82.966 30.385 1.00 51.61 ? 123 LYS A CD 1 ATOM 873 C CE . LYS A 1 123 ? 31.457 84.132 30.848 1.00 39.95 ? 123 LYS A CE 1 ATOM 874 N NZ . LYS A 1 123 ? 32.920 83.789 30.904 1.00 43.70 ? 123 LYS A NZ 1 ATOM 875 N N . SER A 1 124 ? 27.909 80.804 25.874 1.00 49.14 ? 124 SER A N 1 ATOM 876 C CA . SER A 1 124 ? 26.855 79.892 25.421 1.00 47.19 ? 124 SER A CA 1 ATOM 877 C C . SER A 1 124 ? 26.761 79.628 23.919 1.00 56.36 ? 124 SER A C 1 ATOM 878 O O . SER A 1 124 ? 25.989 78.759 23.501 1.00 55.56 ? 124 SER A O 1 ATOM 879 C CB . SER A 1 124 ? 25.509 80.422 25.890 1.00 58.04 ? 124 SER A CB 1 ATOM 880 O OG . SER A 1 124 ? 25.305 81.716 25.351 1.00 64.28 ? 124 SER A OG 1 ATOM 881 N N . ASP A 1 125 ? 27.530 80.367 23.115 1.00 49.64 ? 125 ASP A N 1 ATOM 882 C CA . ASP A 1 125 ? 27.487 80.216 21.659 1.00 43.51 ? 125 ASP A CA 1 ATOM 883 C C . ASP A 1 125 ? 27.977 78.876 21.148 1.00 41.35 ? 125 ASP A C 1 ATOM 884 O O . ASP A 1 125 ? 28.632 78.113 21.854 1.00 45.85 ? 125 ASP A O 1 ATOM 885 C CB . ASP A 1 125 ? 28.311 81.305 20.973 1.00 47.30 ? 125 ASP A CB 1 ATOM 886 C CG . ASP A 1 125 ? 27.929 82.693 21.419 1.00 52.74 ? 125 ASP A CG 1 ATOM 887 O OD1 . ASP A 1 125 ? 26.795 82.866 21.909 1.00 46.08 ? 125 ASP A OD1 1 ATOM 888 O OD2 . ASP A 1 125 ? 28.756 83.614 21.268 1.00 46.06 ? 125 ASP A OD2 1 ATOM 889 N N . THR A 1 126 ? 27.622 78.584 19.911 1.00 40.42 ? 126 THR A N 1 ATOM 890 C CA . THR A 1 126 ? 28.081 77.366 19.284 1.00 43.58 ? 126 THR A CA 1 ATOM 891 C C . THR A 1 126 ? 29.193 77.826 18.353 1.00 36.87 ? 126 THR A C 1 ATOM 892 O O . THR A 1 126 ? 29.108 78.862 17.723 1.00 46.44 ? 126 THR A O 1 ATOM 893 C CB . THR A 1 126 ? 26.966 76.668 18.506 1.00 34.61 ? 126 THR A CB 1 ATOM 894 O OG1 . THR A 1 126 ? 26.128 75.966 19.430 1.00 48.64 ? 126 THR A OG1 1 ATOM 895 C CG2 . THR A 1 126 ? 27.546 75.673 17.511 1.00 32.50 ? 126 THR A CG2 1 ATOM 896 N N . VAL A 1 127 ? 30.242 77.047 18.270 1.00 41.71 ? 127 VAL A N 1 ATOM 897 C CA . VAL A 1 127 ? 31.375 77.448 17.472 1.00 37.32 ? 127 VAL A CA 1 ATOM 898 C C . VAL A 1 127 ? 31.668 76.382 16.438 1.00 36.71 ? 127 VAL A C 1 ATOM 899 O O . VAL A 1 127 ? 31.330 75.202 16.633 1.00 36.15 ? 127 VAL A O 1 ATOM 900 C CB . VAL A 1 127 ? 32.566 77.668 18.457 1.00 40.63 ? 127 VAL A CB 1 ATOM 901 C CG1 . VAL A 1 127 ? 33.827 77.058 17.951 1.00 45.15 ? 127 VAL A CG1 1 ATOM 902 C CG2 . VAL A 1 127 ? 32.726 79.130 18.709 1.00 32.30 ? 127 VAL A CG2 1 ATOM 903 N N . THR A 1 128 ? 32.258 76.786 15.319 1.00 39.95 ? 128 THR A N 1 ATOM 904 C CA . THR A 1 128 ? 32.627 75.812 14.285 1.00 38.24 ? 128 THR A CA 1 ATOM 905 C C . THR A 1 128 ? 34.129 75.972 14.129 1.00 41.47 ? 128 THR A C 1 ATOM 906 O O . THR A 1 128 ? 34.616 77.090 13.955 1.00 39.56 ? 128 THR A O 1 ATOM 907 C CB . THR A 1 128 ? 31.907 76.090 12.944 1.00 41.55 ? 128 THR A CB 1 ATOM 908 O OG1 . THR A 1 128 ? 30.488 75.973 13.130 1.00 51.40 ? 128 THR A OG1 1 ATOM 909 C CG2 . THR A 1 128 ? 32.326 75.078 11.915 1.00 30.37 ? 128 THR A CG2 1 ATOM 910 N N . VAL A 1 129 ? 34.868 74.869 14.189 1.00 34.94 ? 129 VAL A N 1 ATOM 911 C CA . VAL A 1 129 ? 36.321 74.966 14.121 1.00 34.22 ? 129 VAL A CA 1 ATOM 912 C C . VAL A 1 129 ? 36.974 73.818 13.380 1.00 33.50 ? 129 VAL A C 1 ATOM 913 O O . VAL A 1 129 ? 36.343 72.831 13.039 1.00 43.98 ? 129 VAL A O 1 ATOM 914 C CB . VAL A 1 129 ? 36.962 74.941 15.558 1.00 37.69 ? 129 VAL A CB 1 ATOM 915 C CG1 . VAL A 1 129 ? 36.412 76.042 16.455 1.00 30.14 ? 129 VAL A CG1 1 ATOM 916 C CG2 . VAL A 1 129 ? 36.687 73.610 16.191 1.00 33.61 ? 129 VAL A CG2 1 ATOM 917 N N . GLU A 1 130 ? 38.266 73.963 13.170 1.00 35.17 ? 130 GLU A N 1 ATOM 918 C CA . GLU A 1 130 ? 39.090 72.931 12.574 1.00 37.94 ? 130 GLU A CA 1 ATOM 919 C C . GLU A 1 130 ? 40.241 72.880 13.569 1.00 41.29 ? 130 GLU A C 1 ATOM 920 O O . GLU A 1 130 ? 40.668 73.926 14.089 1.00 31.34 ? 130 GLU A O 1 ATOM 921 C CB . GLU A 1 130 ? 39.557 73.338 11.178 1.00 33.62 ? 130 GLU A CB 1 ATOM 922 C CG . GLU A 1 130 ? 38.585 72.914 10.114 1.00 35.51 ? 130 GLU A CG 1 ATOM 923 C CD . GLU A 1 130 ? 38.935 73.434 8.729 1.00 49.27 ? 130 GLU A CD 1 ATOM 924 O OE1 . GLU A 1 130 ? 38.184 73.125 7.772 1.00 56.89 ? 130 GLU A OE1 1 ATOM 925 O OE2 . GLU A 1 130 ? 39.950 74.148 8.601 1.00 49.81 ? 130 GLU A OE2 1 ATOM 926 N N . TYR A 1 131 ? 40.744 71.696 13.889 1.00 35.36 ? 131 TYR A N 1 ATOM 927 C CA . TYR A 1 131 ? 41.819 71.681 14.880 1.00 27.43 ? 131 TYR A CA 1 ATOM 928 C C . TYR A 1 131 ? 42.607 70.421 14.890 1.00 36.73 ? 131 TYR A C 1 ATOM 929 O O . TYR A 1 131 ? 42.220 69.418 14.288 1.00 40.28 ? 131 TYR A O 1 ATOM 930 C CB . TYR A 1 131 ? 41.240 71.871 16.277 1.00 28.70 ? 131 TYR A CB 1 ATOM 931 C CG . TYR A 1 131 ? 40.455 70.673 16.743 1.00 31.96 ? 131 TYR A CG 1 ATOM 932 C CD1 . TYR A 1 131 ? 41.046 69.675 17.530 1.00 46.97 ? 131 TYR A CD1 1 ATOM 933 C CD2 . TYR A 1 131 ? 39.132 70.507 16.361 1.00 43.64 ? 131 TYR A CD2 1 ATOM 934 C CE1 . TYR A 1 131 ? 40.321 68.538 17.923 1.00 35.06 ? 131 TYR A CE1 1 ATOM 935 C CE2 . TYR A 1 131 ? 38.408 69.393 16.743 1.00 39.66 ? 131 TYR A CE2 1 ATOM 936 C CZ . TYR A 1 131 ? 38.998 68.418 17.516 1.00 38.55 ? 131 TYR A CZ 1 ATOM 937 O OH . TYR A 1 131 ? 38.239 67.334 17.862 1.00 45.92 ? 131 TYR A OH 1 ATOM 938 N N . THR A 1 132 ? 43.725 70.478 15.597 1.00 40.28 ? 132 THR A N 1 ATOM 939 C CA . THR A 1 132 ? 44.569 69.317 15.761 1.00 38.83 ? 132 THR A CA 1 ATOM 940 C C . THR A 1 132 ? 45.110 69.390 17.172 1.00 39.17 ? 132 THR A C 1 ATOM 941 O O . THR A 1 132 ? 45.649 70.415 17.590 1.00 42.04 ? 132 THR A O 1 ATOM 942 C CB . THR A 1 132 ? 45.716 69.304 14.769 1.00 40.02 ? 132 THR A CB 1 ATOM 943 O OG1 . THR A 1 132 ? 45.183 69.236 13.443 1.00 61.04 ? 132 THR A OG1 1 ATOM 944 C CG2 . THR A 1 132 ? 46.589 68.070 14.990 1.00 44.33 ? 132 THR A CG2 1 ATOM 945 N N . GLY A 1 133 ? 44.924 68.305 17.913 1.00 37.96 ? 133 GLY A N 1 ATOM 946 C CA . GLY A 1 133 ? 45.388 68.236 19.285 1.00 35.69 ? 133 GLY A CA 1 ATOM 947 C C . GLY A 1 133 ? 46.512 67.234 19.344 1.00 39.91 ? 133 GLY A C 1 ATOM 948 O O . GLY A 1 133 ? 46.414 66.131 18.797 1.00 44.93 ? 133 GLY A O 1 ATOM 949 N N . ARG A 1 134 ? 47.586 67.614 20.012 1.00 38.79 ? 134 ARG A N 1 ATOM 950 C CA . ARG A 1 134 ? 48.724 66.734 20.096 1.00 38.82 ? 134 ARG A CA 1 ATOM 951 C C . ARG A 1 134 ? 49.304 66.787 21.481 1.00 40.88 ? 134 ARG A C 1 ATOM 952 O O . ARG A 1 134 ? 49.064 67.724 22.231 1.00 48.51 ? 134 ARG A O 1 ATOM 953 C CB . ARG A 1 134 ? 49.786 67.135 19.067 1.00 37.72 ? 134 ARG A CB 1 ATOM 954 C CG . ARG A 1 134 ? 50.361 68.533 19.250 1.00 40.27 ? 134 ARG A CG 1 ATOM 955 C CD . ARG A 1 134 ? 51.617 68.698 18.402 1.00 43.07 ? 134 ARG A CD 1 ATOM 956 N NE . ARG A 1 134 ? 52.405 69.901 18.704 1.00 48.85 ? 134 ARG A NE 1 ATOM 957 C CZ . ARG A 1 134 ? 52.129 71.133 18.268 1.00 57.39 ? 134 ARG A CZ 1 ATOM 958 N NH1 . ARG A 1 134 ? 51.067 71.360 17.494 1.00 40.75 ? 134 ARG A NH1 1 ATOM 959 N NH2 . ARG A 1 134 ? 52.933 72.146 18.593 1.00 52.13 ? 134 ARG A NH2 1 ATOM 960 N N . LEU A 1 135 ? 50.043 65.750 21.831 1.00 45.49 ? 135 LEU A N 1 ATOM 961 C CA . LEU A 1 135 ? 50.687 65.691 23.124 1.00 45.07 ? 135 LEU A CA 1 ATOM 962 C C . LEU A 1 135 ? 52.012 66.397 22.955 1.00 39.19 ? 135 LEU A C 1 ATOM 963 O O . LEU A 1 135 ? 52.447 66.668 21.832 1.00 43.53 ? 135 LEU A O 1 ATOM 964 C CB . LEU A 1 135 ? 50.924 64.244 23.529 1.00 47.24 ? 135 LEU A CB 1 ATOM 965 C CG . LEU A 1 135 ? 49.649 63.411 23.519 1.00 48.90 ? 135 LEU A CG 1 ATOM 966 C CD1 . LEU A 1 135 ? 49.997 61.942 23.713 1.00 47.27 ? 135 LEU A CD1 1 ATOM 967 C CD2 . LEU A 1 135 ? 48.724 63.907 24.614 1.00 44.70 ? 135 LEU A CD2 1 ATOM 968 N N . ILE A 1 136 ? 52.652 66.715 24.068 1.00 40.84 ? 136 ILE A N 1 ATOM 969 C CA . ILE A 1 136 ? 53.935 67.384 24.005 1.00 50.64 ? 136 ILE A CA 1 ATOM 970 C C . ILE A 1 136 ? 54.956 66.666 23.085 1.00 58.04 ? 136 ILE A C 1 ATOM 971 O O . ILE A 1 136 ? 55.859 67.306 22.533 1.00 57.22 ? 136 ILE A O 1 ATOM 972 C CB . ILE A 1 136 ? 54.484 67.528 25.405 1.00 39.74 ? 136 ILE A CB 1 ATOM 973 C CG1 . ILE A 1 136 ? 53.520 68.400 26.210 1.00 50.23 ? 136 ILE A CG1 1 ATOM 974 C CG2 . ILE A 1 136 ? 55.888 68.134 25.369 1.00 51.57 ? 136 ILE A CG2 1 ATOM 975 C CD1 . ILE A 1 136 ? 53.858 68.516 27.679 1.00 53.05 ? 136 ILE A CD1 1 ATOM 976 N N . ASP A 1 137 ? 54.797 65.353 22.905 1.00 53.11 ? 137 ASP A N 1 ATOM 977 C CA . ASP A 1 137 ? 55.713 64.597 22.062 1.00 47.91 ? 137 ASP A CA 1 ATOM 978 C C . ASP A 1 137 ? 55.254 64.487 20.613 1.00 45.58 ? 137 ASP A C 1 ATOM 979 O O . ASP A 1 137 ? 55.648 63.566 19.899 1.00 57.94 ? 137 ASP A O 1 ATOM 980 C CB . ASP A 1 137 ? 55.975 63.186 22.639 1.00 42.47 ? 137 ASP A CB 1 ATOM 981 C CG . ASP A 1 137 ? 54.787 62.236 22.481 1.00 49.08 ? 137 ASP A CG 1 ATOM 982 O OD1 . ASP A 1 137 ? 53.974 62.434 21.557 1.00 54.00 ? 137 ASP A OD1 1 ATOM 983 O OD2 . ASP A 1 137 ? 54.675 61.270 23.272 1.00 58.70 ? 137 ASP A OD2 1 ATOM 984 N N . GLY A 1 138 ? 54.407 65.413 20.183 1.00 52.83 ? 138 GLY A N 1 ATOM 985 C CA . GLY A 1 138 ? 53.945 65.414 18.801 1.00 36.32 ? 138 GLY A CA 1 ATOM 986 C C . GLY A 1 138 ? 52.855 64.432 18.444 1.00 49.41 ? 138 GLY A C 1 ATOM 987 O O . GLY A 1 138 ? 52.201 64.580 17.407 1.00 52.58 ? 138 GLY A O 1 ATOM 988 N N . THR A 1 139 ? 52.641 63.428 19.281 1.00 40.63 ? 139 THR A N 1 ATOM 989 C CA . THR A 1 139 ? 51.612 62.452 18.972 1.00 45.68 ? 139 THR A CA 1 ATOM 990 C C . THR A 1 139 ? 50.250 63.101 18.860 1.00 43.34 ? 139 THR A C 1 ATOM 991 O O . THR A 1 139 ? 49.723 63.628 19.833 1.00 53.54 ? 139 THR A O 1 ATOM 992 C CB . THR A 1 139 ? 51.510 61.375 20.044 1.00 49.53 ? 139 THR A CB 1 ATOM 993 O OG1 . THR A 1 139 ? 52.738 60.652 20.090 1.00 52.02 ? 139 THR A OG1 1 ATOM 994 C CG2 . THR A 1 139 ? 50.348 60.421 19.735 1.00 41.39 ? 139 THR A CG2 1 ATOM 995 N N . VAL A 1 140 ? 49.675 63.037 17.670 1.00 47.23 ? 140 VAL A N 1 ATOM 996 C CA . VAL A 1 140 ? 48.362 63.590 17.407 1.00 36.07 ? 140 VAL A CA 1 ATOM 997 C C . VAL A 1 140 ? 47.253 62.691 17.962 1.00 44.76 ? 140 VAL A C 1 ATOM 998 O O . VAL A 1 140 ? 47.168 61.520 17.608 1.00 53.75 ? 140 VAL A O 1 ATOM 999 C CB . VAL A 1 140 ? 48.177 63.754 15.905 1.00 46.93 ? 140 VAL A CB 1 ATOM 1000 C CG1 . VAL A 1 140 ? 46.777 64.235 15.608 1.00 51.81 ? 140 VAL A CG1 1 ATOM 1001 C CG2 . VAL A 1 140 ? 49.215 64.731 15.381 1.00 37.36 ? 140 VAL A CG2 1 ATOM 1002 N N . PHE A 1 141 ? 46.403 63.229 18.835 1.00 40.77 ? 141 PHE A N 1 ATOM 1003 C CA . PHE A 1 141 ? 45.324 62.431 19.399 1.00 36.99 ? 141 PHE A CA 1 ATOM 1004 C C . PHE A 1 141 ? 43.996 62.787 18.811 1.00 42.30 ? 141 PHE A C 1 ATOM 1005 O O . PHE A 1 141 ? 43.035 62.050 18.963 1.00 52.41 ? 141 PHE A O 1 ATOM 1006 C CB . PHE A 1 141 ? 45.250 62.579 20.926 1.00 35.55 ? 141 PHE A CB 1 ATOM 1007 C CG . PHE A 1 141 ? 45.158 63.997 21.398 1.00 44.61 ? 141 PHE A CG 1 ATOM 1008 C CD1 . PHE A 1 141 ? 43.937 64.639 21.476 1.00 44.65 ? 141 PHE A CD1 1 ATOM 1009 C CD2 . PHE A 1 141 ? 46.304 64.693 21.782 1.00 39.93 ? 141 PHE A CD2 1 ATOM 1010 C CE1 . PHE A 1 141 ? 43.859 65.968 21.940 1.00 40.45 ? 141 PHE A CE1 1 ATOM 1011 C CE2 . PHE A 1 141 ? 46.228 66.000 22.237 1.00 39.78 ? 141 PHE A CE2 1 ATOM 1012 C CZ . PHE A 1 141 ? 45.004 66.637 22.317 1.00 38.72 ? 141 PHE A CZ 1 ATOM 1013 N N . ASP A 1 142 ? 43.917 63.932 18.155 1.00 52.68 ? 142 ASP A N 1 ATOM 1014 C CA . ASP A 1 142 ? 42.653 64.323 17.556 1.00 43.20 ? 142 ASP A CA 1 ATOM 1015 C C . ASP A 1 142 ? 42.830 65.442 16.547 1.00 43.63 ? 142 ASP A C 1 ATOM 1016 O O . ASP A 1 142 ? 43.726 66.274 16.672 1.00 55.57 ? 142 ASP A O 1 ATOM 1017 C CB . ASP A 1 142 ? 41.668 64.738 18.636 1.00 50.38 ? 142 ASP A CB 1 ATOM 1018 C CG . ASP A 1 142 ? 40.248 64.657 18.160 1.00 57.70 ? 142 ASP A CG 1 ATOM 1019 O OD1 . ASP A 1 142 ? 39.338 64.900 18.973 1.00 68.19 ? 142 ASP A OD1 1 ATOM 1020 O OD2 . ASP A 1 142 ? 40.046 64.341 16.964 1.00 73.97 ? 142 ASP A OD2 1 ATOM 1021 N N . SER A 1 143 ? 41.963 65.473 15.547 1.00 43.26 ? 143 SER A N 1 ATOM 1022 C CA . SER A 1 143 ? 42.082 66.475 14.513 1.00 46.20 ? 143 SER A CA 1 ATOM 1023 C C . SER A 1 143 ? 40.932 66.415 13.505 1.00 45.75 ? 143 SER A C 1 ATOM 1024 O O . SER A 1 143 ? 40.377 65.362 13.264 1.00 49.25 ? 143 SER A O 1 ATOM 1025 C CB . SER A 1 143 ? 43.402 66.261 13.787 1.00 39.18 ? 143 SER A CB 1 ATOM 1026 O OG . SER A 1 143 ? 43.331 66.865 12.517 1.00 49.74 ? 143 SER A OG 1 ATOM 1027 N N . THR A 1 144 ? 40.577 67.541 12.906 1.00 42.71 ? 144 THR A N 1 ATOM 1028 C CA . THR A 1 144 ? 39.502 67.514 11.947 1.00 42.16 ? 144 THR A CA 1 ATOM 1029 C C . THR A 1 144 ? 40.065 67.208 10.556 1.00 48.52 ? 144 THR A C 1 ATOM 1030 O O . THR A 1 144 ? 39.322 67.040 9.600 1.00 43.28 ? 144 THR A O 1 ATOM 1031 C CB . THR A 1 144 ? 38.723 68.845 11.937 1.00 45.60 ? 144 THR A CB 1 ATOM 1032 O OG1 . THR A 1 144 ? 39.635 69.932 11.829 1.00 37.36 ? 144 THR A OG1 1 ATOM 1033 C CG2 . THR A 1 144 ? 37.914 69.002 13.209 1.00 33.12 ? 144 THR A CG2 1 ATOM 1034 N N . GLU A 1 145 ? 41.387 67.123 10.456 1.00 51.35 ? 145 GLU A N 1 ATOM 1035 C CA . GLU A 1 145 ? 42.054 66.816 9.190 1.00 52.46 ? 145 GLU A CA 1 ATOM 1036 C C . GLU A 1 145 ? 41.646 65.429 8.717 1.00 62.15 ? 145 GLU A C 1 ATOM 1037 O O . GLU A 1 145 ? 41.313 65.228 7.552 1.00 73.71 ? 145 GLU A O 1 ATOM 1038 C CB . GLU A 1 145 ? 43.565 66.827 9.390 1.00 68.12 ? 145 GLU A CB 1 ATOM 1039 C CG . GLU A 1 145 ? 44.353 67.534 8.325 1.00 78.30 ? 145 GLU A CG 1 ATOM 1040 C CD . GLU A 1 145 ? 45.459 68.364 8.940 1.00 96.65 ? 145 GLU A CD 1 ATOM 1041 O OE1 . GLU A 1 145 ? 46.485 67.774 9.359 1.00 96.79 ? 145 GLU A OE1 1 ATOM 1042 O OE2 . GLU A 1 145 ? 45.285 69.605 9.028 1.00 93.19 ? 145 GLU A OE2 1 ATOM 1043 N N . LYS A 1 146 ? 41.693 64.471 9.636 1.00 69.60 ? 146 LYS A N 1 ATOM 1044 C CA . LYS A 1 146 ? 41.334 63.092 9.339 1.00 78.12 ? 146 LYS A CA 1 ATOM 1045 C C . LYS A 1 146 ? 39.931 63.034 8.746 1.00 82.64 ? 146 LYS A C 1 ATOM 1046 O O . LYS A 1 146 ? 39.736 62.539 7.636 1.00 93.12 ? 146 LYS A O 1 ATOM 1047 C CB . LYS A 1 146 ? 41.406 62.236 10.612 1.00 57.00 ? 146 LYS A CB 1 ATOM 1048 C CG . LYS A 1 146 ? 42.795 62.160 11.226 0.00 58.94 ? 146 LYS A CG 1 ATOM 1049 C CD . LYS A 1 146 ? 42.817 61.264 12.454 0.00 53.14 ? 146 LYS A CD 1 ATOM 1050 C CE . LYS A 1 146 ? 44.211 61.193 13.056 0.00 51.04 ? 146 LYS A CE 1 ATOM 1051 N NZ . LYS A 1 146 ? 44.258 60.310 14.251 0.00 47.90 ? 146 LYS A NZ 1 ATOM 1052 N N . THR A 1 147 ? 38.955 63.548 9.481 1.00 82.57 ? 147 THR A N 1 ATOM 1053 C CA . THR A 1 147 ? 37.584 63.539 9.006 1.00 78.59 ? 147 THR A CA 1 ATOM 1054 C C . THR A 1 147 ? 37.382 64.493 7.837 1.00 80.71 ? 147 THR A C 1 ATOM 1055 O O . THR A 1 147 ? 36.405 64.378 7.102 1.00 86.71 ? 147 THR A O 1 ATOM 1056 C CB . THR A 1 147 ? 36.613 63.929 10.125 1.00 80.11 ? 147 THR A CB 1 ATOM 1057 O OG1 . THR A 1 147 ? 35.402 64.426 9.548 1.00 83.93 ? 147 THR A OG1 1 ATOM 1058 C CG2 . THR A 1 147 ? 37.230 64.996 11.024 1.00 80.89 ? 147 THR A CG2 1 ATOM 1059 N N . GLY A 1 148 ? 38.309 65.431 7.663 1.00 78.67 ? 148 GLY A N 1 ATOM 1060 C CA . GLY A 1 148 ? 38.185 66.400 6.587 1.00 68.33 ? 148 GLY A CA 1 ATOM 1061 C C . GLY A 1 148 ? 37.041 67.382 6.812 1.00 69.56 ? 148 GLY A C 1 ATOM 1062 O O . GLY A 1 148 ? 36.861 68.317 6.032 1.00 76.44 ? 148 GLY A O 1 ATOM 1063 N N . LYS A 1 149 ? 36.274 67.186 7.884 1.00 58.15 ? 149 LYS A N 1 ATOM 1064 C CA . LYS A 1 149 ? 35.138 68.063 8.188 1.00 63.10 ? 149 LYS A CA 1 ATOM 1065 C C . LYS A 1 149 ? 35.229 68.845 9.527 1.00 58.49 ? 149 LYS A C 1 ATOM 1066 O O . LYS A 1 149 ? 35.525 68.266 10.581 1.00 66.56 ? 149 LYS A O 1 ATOM 1067 C CB . LYS A 1 149 ? 33.852 67.226 8.167 1.00 61.90 ? 149 LYS A CB 1 ATOM 1068 C CG . LYS A 1 149 ? 33.599 66.511 6.850 0.00 54.51 ? 149 LYS A CG 1 ATOM 1069 C CD . LYS A 1 149 ? 32.328 65.679 6.907 0.00 49.74 ? 149 LYS A CD 1 ATOM 1070 C CE . LYS A 1 149 ? 32.094 64.939 5.599 0.00 46.51 ? 149 LYS A CE 1 ATOM 1071 N NZ . LYS A 1 149 ? 30.853 64.117 5.636 0.00 43.82 ? 149 LYS A NZ 1 ATOM 1072 N N . PRO A 1 150 ? 34.953 70.168 9.500 1.00 51.52 ? 150 PRO A N 1 ATOM 1073 C CA . PRO A 1 150 ? 35.007 71.002 10.709 1.00 40.68 ? 150 PRO A CA 1 ATOM 1074 C C . PRO A 1 150 ? 34.125 70.419 11.790 1.00 40.67 ? 150 PRO A C 1 ATOM 1075 O O . PRO A 1 150 ? 33.175 69.702 11.493 1.00 44.01 ? 150 PRO A O 1 ATOM 1076 C CB . PRO A 1 150 ? 34.447 72.343 10.239 1.00 35.72 ? 150 PRO A CB 1 ATOM 1077 C CG . PRO A 1 150 ? 34.808 72.395 8.785 1.00 45.18 ? 150 PRO A CG 1 ATOM 1078 C CD . PRO A 1 150 ? 34.528 70.970 8.333 1.00 46.09 ? 150 PRO A CD 1 ATOM 1079 N N . ALA A 1 151 ? 34.431 70.749 13.039 1.00 43.88 ? 151 ALA A N 1 ATOM 1080 C CA . ALA A 1 151 ? 33.634 70.301 14.176 1.00 42.20 ? 151 ALA A CA 1 ATOM 1081 C C . ALA A 1 151 ? 32.866 71.496 14.724 1.00 42.50 ? 151 ALA A C 1 ATOM 1082 O O . ALA A 1 151 ? 33.275 72.656 14.557 1.00 37.45 ? 151 ALA A O 1 ATOM 1083 C CB . ALA A 1 151 ? 34.515 69.716 15.254 1.00 43.31 ? 151 ALA A CB 1 ATOM 1084 N N . THR A 1 152 ? 31.733 71.201 15.347 1.00 44.16 ? 152 THR A N 1 ATOM 1085 C CA . THR A 1 152 ? 30.877 72.218 15.935 1.00 46.96 ? 152 THR A CA 1 ATOM 1086 C C . THR A 1 152 ? 30.651 71.864 17.402 1.00 48.91 ? 152 THR A C 1 ATOM 1087 O O . THR A 1 152 ? 30.241 70.748 17.708 1.00 51.90 ? 152 THR A O 1 ATOM 1088 C CB . THR A 1 152 ? 29.534 72.278 15.184 1.00 53.79 ? 152 THR A CB 1 ATOM 1089 O OG1 . THR A 1 152 ? 29.768 72.764 13.858 1.00 58.21 ? 152 THR A OG1 1 ATOM 1090 C CG2 . THR A 1 152 ? 28.559 73.209 15.874 1.00 51.19 ? 152 THR A CG2 1 ATOM 1091 N N . PHE A 1 153 ? 30.954 72.801 18.301 1.00 49.25 ? 153 PHE A N 1 ATOM 1092 C CA . PHE A 1 153 ? 30.797 72.586 19.741 1.00 46.34 ? 153 PHE A CA 1 ATOM 1093 C C . PHE A 1 153 ? 30.161 73.796 20.365 1.00 52.20 ? 153 PHE A C 1 ATOM 1094 O O . PHE A 1 153 ? 30.188 74.885 19.783 1.00 58.02 ? 153 PHE A O 1 ATOM 1095 C CB . PHE A 1 153 ? 32.137 72.447 20.470 1.00 45.64 ? 153 PHE A CB 1 ATOM 1096 C CG . PHE A 1 153 ? 33.119 71.582 19.789 1.00 52.20 ? 153 PHE A CG 1 ATOM 1097 C CD1 . PHE A 1 153 ? 33.940 72.102 18.804 1.00 40.56 ? 153 PHE A CD1 1 ATOM 1098 C CD2 . PHE A 1 153 ? 33.255 70.241 20.156 1.00 60.60 ? 153 PHE A CD2 1 ATOM 1099 C CE1 . PHE A 1 153 ? 34.903 71.296 18.183 1.00 59.35 ? 153 PHE A CE1 1 ATOM 1100 C CE2 . PHE A 1 153 ? 34.214 69.424 19.543 1.00 66.45 ? 153 PHE A CE2 1 ATOM 1101 C CZ . PHE A 1 153 ? 35.041 69.957 18.553 1.00 68.33 ? 153 PHE A CZ 1 ATOM 1102 N N . GLN A 1 154 ? 29.603 73.604 21.560 1.00 53.50 ? 154 GLN A N 1 ATOM 1103 C CA . GLN A 1 154 ? 29.055 74.717 22.297 1.00 42.43 ? 154 GLN A CA 1 ATOM 1104 C C . GLN A 1 154 ? 30.248 75.115 23.176 1.00 45.83 ? 154 GLN A C 1 ATOM 1105 O O . GLN A 1 154 ? 30.880 74.271 23.837 1.00 41.22 ? 154 GLN A O 1 ATOM 1106 C CB . GLN A 1 154 ? 27.854 74.303 23.144 1.00 48.53 ? 154 GLN A CB 1 ATOM 1107 C CG . GLN A 1 154 ? 27.331 75.478 24.001 1.00 68.85 ? 154 GLN A CG 1 ATOM 1108 C CD . GLN A 1 154 ? 25.912 75.283 24.541 1.00 74.43 ? 154 GLN A CD 1 ATOM 1109 O OE1 . GLN A 1 154 ? 25.401 74.158 24.603 1.00 77.04 ? 154 GLN A OE1 1 ATOM 1110 N NE2 . GLN A 1 154 ? 25.278 76.389 24.952 1.00 57.92 ? 154 GLN A NE2 1 ATOM 1111 N N . VAL A 1 155 ? 30.570 76.398 23.160 1.00 30.98 ? 155 VAL A N 1 ATOM 1112 C CA . VAL A 1 155 ? 31.695 76.908 23.903 1.00 37.75 ? 155 VAL A CA 1 ATOM 1113 C C . VAL A 1 155 ? 31.874 76.378 25.321 1.00 47.74 ? 155 VAL A C 1 ATOM 1114 O O . VAL A 1 155 ? 32.996 76.133 25.759 1.00 52.16 ? 155 VAL A O 1 ATOM 1115 C CB . VAL A 1 155 ? 31.629 78.415 23.953 1.00 41.07 ? 155 VAL A CB 1 ATOM 1116 C CG1 . VAL A 1 155 ? 32.748 78.961 24.858 1.00 35.14 ? 155 VAL A CG1 1 ATOM 1117 C CG2 . VAL A 1 155 ? 31.727 78.958 22.529 1.00 34.63 ? 155 VAL A CG2 1 ATOM 1118 N N . SER A 1 156 ? 30.778 76.201 26.043 1.00 51.27 ? 156 SER A N 1 ATOM 1119 C CA . SER A 1 156 ? 30.865 75.727 27.421 1.00 51.67 ? 156 SER A CA 1 ATOM 1120 C C . SER A 1 156 ? 30.986 74.205 27.555 1.00 53.75 ? 156 SER A C 1 ATOM 1121 O O . SER A 1 156 ? 31.328 73.727 28.619 1.00 49.29 ? 156 SER A O 1 ATOM 1122 C CB . SER A 1 156 ? 29.644 76.203 28.220 1.00 58.79 ? 156 SER A CB 1 ATOM 1123 O OG . SER A 1 156 ? 28.459 75.507 27.819 1.00 53.77 ? 156 SER A OG 1 ATOM 1124 N N . GLN A 1 157 ? 30.703 73.445 26.499 1.00 42.72 ? 157 GLN A N 1 ATOM 1125 C CA . GLN A 1 157 ? 30.802 71.987 26.594 1.00 47.78 ? 157 GLN A CA 1 ATOM 1126 C C . GLN A 1 157 ? 32.209 71.495 26.333 1.00 45.14 ? 157 GLN A C 1 ATOM 1127 O O . GLN A 1 157 ? 32.433 70.298 26.320 1.00 55.42 ? 157 GLN A O 1 ATOM 1128 C CB . GLN A 1 157 ? 29.908 71.270 25.569 1.00 51.99 ? 157 GLN A CB 1 ATOM 1129 C CG . GLN A 1 157 ? 28.547 71.869 25.318 1.00 74.51 ? 157 GLN A CG 1 ATOM 1130 C CD . GLN A 1 157 ? 27.657 71.794 26.520 1.00 74.18 ? 157 GLN A CD 1 ATOM 1131 O OE1 . GLN A 1 157 ? 27.906 72.450 27.536 1.00 73.83 ? 157 GLN A OE1 1 ATOM 1132 N NE2 . GLN A 1 157 ? 26.607 70.986 26.423 1.00 81.49 ? 157 GLN A NE2 1 ATOM 1133 N N . VAL A 1 158 ? 33.153 72.387 26.074 1.00 41.50 ? 158 VAL A N 1 ATOM 1134 C CA . VAL A 1 158 ? 34.499 71.913 25.801 1.00 31.09 ? 158 VAL A CA 1 ATOM 1135 C C . VAL A 1 158 ? 35.403 72.001 27.032 1.00 36.13 ? 158 VAL A C 1 ATOM 1136 O O . VAL A 1 158 ? 34.989 72.525 28.076 1.00 42.44 ? 158 VAL A O 1 ATOM 1137 C CB . VAL A 1 158 ? 35.133 72.648 24.557 1.00 40.57 ? 158 VAL A CB 1 ATOM 1138 C CG1 . VAL A 1 158 ? 34.541 72.097 23.285 1.00 43.70 ? 158 VAL A CG1 1 ATOM 1139 C CG2 . VAL A 1 158 ? 34.868 74.144 24.592 1.00 35.75 ? 158 VAL A CG2 1 ATOM 1140 N N . ILE A 1 159 ? 36.625 71.476 26.920 1.00 29.26 ? 159 ILE A N 1 ATOM 1141 C CA . ILE A 1 159 ? 37.545 71.497 28.038 1.00 25.77 ? 159 ILE A CA 1 ATOM 1142 C C . ILE A 1 159 ? 37.863 72.952 28.387 1.00 29.40 ? 159 ILE A C 1 ATOM 1143 O O . ILE A 1 159 ? 37.860 73.814 27.508 1.00 32.58 ? 159 ILE A O 1 ATOM 1144 C CB . ILE A 1 159 ? 38.832 70.691 27.729 1.00 31.21 ? 159 ILE A CB 1 ATOM 1145 C CG1 . ILE A 1 159 ? 39.554 71.280 26.537 1.00 20.10 ? 159 ILE A CG1 1 ATOM 1146 C CG2 . ILE A 1 159 ? 38.479 69.206 27.496 1.00 32.51 ? 159 ILE A CG2 1 ATOM 1147 C CD1 . ILE A 1 159 ? 40.949 70.709 26.339 1.00 25.35 ? 159 ILE A CD1 1 ATOM 1148 N N . PRO A 1 160 ? 38.132 73.243 29.673 1.00 28.86 ? 160 PRO A N 1 ATOM 1149 C CA . PRO A 1 160 ? 38.436 74.613 30.139 1.00 31.61 ? 160 PRO A CA 1 ATOM 1150 C C . PRO A 1 160 ? 39.388 75.454 29.304 1.00 33.97 ? 160 PRO A C 1 ATOM 1151 O O . PRO A 1 160 ? 39.078 76.616 29.014 1.00 39.95 ? 160 PRO A O 1 ATOM 1152 C CB . PRO A 1 160 ? 38.929 74.397 31.572 1.00 25.04 ? 160 PRO A CB 1 ATOM 1153 C CG . PRO A 1 160 ? 38.095 73.255 32.035 1.00 22.78 ? 160 PRO A CG 1 ATOM 1154 C CD . PRO A 1 160 ? 38.212 72.294 30.800 1.00 25.88 ? 160 PRO A CD 1 ATOM 1155 N N . GLY A 1 161 ? 40.542 74.898 28.944 1.00 33.14 ? 161 GLY A N 1 ATOM 1156 C CA . GLY A 1 161 ? 41.477 75.628 28.098 1.00 34.37 ? 161 GLY A CA 1 ATOM 1157 C C . GLY A 1 161 ? 40.796 76.142 26.824 1.00 39.08 ? 161 GLY A C 1 ATOM 1158 O O . GLY A 1 161 ? 40.992 77.299 26.417 1.00 32.38 ? 161 GLY A O 1 ATOM 1159 N N . TRP A 1 162 ? 39.989 75.295 26.185 1.00 30.66 ? 162 TRP A N 1 ATOM 1160 C CA . TRP A 1 162 ? 39.279 75.707 24.966 1.00 32.46 ? 162 TRP A CA 1 ATOM 1161 C C . TRP A 1 162 ? 38.270 76.822 25.251 1.00 37.33 ? 162 TRP A C 1 ATOM 1162 O O . TRP A 1 162 ? 38.169 77.793 24.508 1.00 51.09 ? 162 TRP A O 1 ATOM 1163 C CB . TRP A 1 162 ? 38.540 74.528 24.365 1.00 28.32 ? 162 TRP A CB 1 ATOM 1164 C CG . TRP A 1 162 ? 39.363 73.728 23.404 1.00 43.04 ? 162 TRP A CG 1 ATOM 1165 C CD1 . TRP A 1 162 ? 40.632 73.243 23.596 1.00 35.64 ? 162 TRP A CD1 1 ATOM 1166 C CD2 . TRP A 1 162 ? 38.955 73.283 22.109 1.00 34.58 ? 162 TRP A CD2 1 ATOM 1167 N NE1 . TRP A 1 162 ? 41.037 72.526 22.492 1.00 40.87 ? 162 TRP A NE1 1 ATOM 1168 C CE2 . TRP A 1 162 ? 40.023 72.532 21.568 1.00 39.87 ? 162 TRP A CE2 1 ATOM 1169 C CE3 . TRP A 1 162 ? 37.789 73.442 21.354 1.00 37.31 ? 162 TRP A CE3 1 ATOM 1170 C CZ2 . TRP A 1 162 ? 39.952 71.937 20.314 1.00 30.86 ? 162 TRP A CZ2 1 ATOM 1171 C CZ3 . TRP A 1 162 ? 37.721 72.852 20.112 1.00 49.04 ? 162 TRP A CZ3 1 ATOM 1172 C CH2 . TRP A 1 162 ? 38.800 72.106 19.601 1.00 33.60 ? 162 TRP A CH2 1 ATOM 1173 N N . THR A 1 163 ? 37.519 76.649 26.332 1.00 31.86 ? 163 THR A N 1 ATOM 1174 C CA . THR A 1 163 ? 36.525 77.606 26.801 1.00 26.01 ? 163 THR A CA 1 ATOM 1175 C C . THR A 1 163 ? 37.247 78.942 27.079 1.00 31.70 ? 163 THR A C 1 ATOM 1176 O O . THR A 1 163 ? 36.756 80.001 26.716 1.00 35.55 ? 163 THR A O 1 ATOM 1177 C CB . THR A 1 163 ? 35.861 77.054 28.099 1.00 34.93 ? 163 THR A CB 1 ATOM 1178 O OG1 . THR A 1 163 ? 35.178 75.833 27.802 1.00 40.52 ? 163 THR A OG1 1 ATOM 1179 C CG2 . THR A 1 163 ? 34.875 78.005 28.660 1.00 30.54 ? 163 THR A CG2 1 ATOM 1180 N N . GLU A 1 164 ? 38.408 78.885 27.728 1.00 34.66 ? 164 GLU A N 1 ATOM 1181 C CA . GLU A 1 164 ? 39.171 80.093 28.005 1.00 35.59 ? 164 GLU A CA 1 ATOM 1182 C C . GLU A 1 164 ? 39.667 80.713 26.706 1.00 35.86 ? 164 GLU A C 1 ATOM 1183 O O . GLU A 1 164 ? 39.553 81.908 26.526 1.00 35.62 ? 164 GLU A O 1 ATOM 1184 C CB . GLU A 1 164 ? 40.386 79.789 28.885 1.00 34.35 ? 164 GLU A CB 1 ATOM 1185 C CG . GLU A 1 164 ? 40.074 79.266 30.296 1.00 41.70 ? 164 GLU A CG 1 ATOM 1186 C CD . GLU A 1 164 ? 39.621 80.362 31.267 1.00 46.30 ? 164 GLU A CD 1 ATOM 1187 O OE1 . GLU A 1 164 ? 39.506 81.526 30.835 1.00 40.29 ? 164 GLU A OE1 1 ATOM 1188 O OE2 . GLU A 1 164 ? 39.372 80.063 32.464 1.00 44.32 ? 164 GLU A OE2 1 ATOM 1189 N N . ALA A 1 165 ? 40.220 79.908 25.800 1.00 37.08 ? 165 ALA A N 1 ATOM 1190 C CA . ALA A 1 165 ? 40.763 80.448 24.543 1.00 31.12 ? 165 ALA A CA 1 ATOM 1191 C C . ALA A 1 165 ? 39.733 81.002 23.560 1.00 34.69 ? 165 ALA A C 1 ATOM 1192 O O . ALA A 1 165 ? 39.882 82.128 23.053 1.00 39.60 ? 165 ALA A O 1 ATOM 1193 C CB . ALA A 1 165 ? 41.618 79.400 23.852 1.00 27.33 ? 165 ALA A CB 1 ATOM 1194 N N . LEU A 1 166 ? 38.704 80.212 23.266 1.00 29.32 ? 166 LEU A N 1 ATOM 1195 C CA . LEU A 1 166 ? 37.648 80.647 22.345 1.00 26.16 ? 166 LEU A CA 1 ATOM 1196 C C . LEU A 1 166 ? 37.040 82.022 22.692 1.00 35.75 ? 166 LEU A C 1 ATOM 1197 O O . LEU A 1 166 ? 36.748 82.803 21.791 1.00 32.03 ? 166 LEU A O 1 ATOM 1198 C CB . LEU A 1 166 ? 36.555 79.589 22.283 1.00 20.75 ? 166 LEU A CB 1 ATOM 1199 C CG . LEU A 1 166 ? 36.983 78.286 21.599 1.00 24.38 ? 166 LEU A CG 1 ATOM 1200 C CD1 . LEU A 1 166 ? 35.995 77.202 21.900 1.00 29.22 ? 166 LEU A CD1 1 ATOM 1201 C CD2 . LEU A 1 166 ? 37.046 78.501 20.114 1.00 26.79 ? 166 LEU A CD2 1 ATOM 1202 N N . GLN A 1 167 ? 36.866 82.336 23.979 1.00 31.95 ? 167 GLN A N 1 ATOM 1203 C CA . GLN A 1 167 ? 36.279 83.629 24.355 1.00 32.91 ? 167 GLN A CA 1 ATOM 1204 C C . GLN A 1 167 ? 37.152 84.798 24.032 1.00 33.04 ? 167 GLN A C 1 ATOM 1205 O O . GLN A 1 167 ? 36.699 85.923 24.111 1.00 39.24 ? 167 GLN A O 1 ATOM 1206 C CB . GLN A 1 167 ? 35.940 83.694 25.847 1.00 29.82 ? 167 GLN A CB 1 ATOM 1207 C CG . GLN A 1 167 ? 34.769 82.823 26.247 1.00 33.01 ? 167 GLN A CG 1 ATOM 1208 C CD . GLN A 1 167 ? 34.519 82.864 27.734 1.00 46.80 ? 167 GLN A CD 1 ATOM 1209 O OE1 . GLN A 1 167 ? 33.848 83.771 28.258 1.00 38.58 ? 167 GLN A OE1 1 ATOM 1210 N NE2 . GLN A 1 167 ? 35.068 81.884 28.434 1.00 39.31 ? 167 GLN A NE2 1 ATOM 1211 N N . LEU A 1 168 ? 38.404 84.525 23.687 1.00 36.57 ? 168 LEU A N 1 ATOM 1212 C CA . LEU A 1 168 ? 39.376 85.562 23.338 1.00 31.85 ? 168 LEU A CA 1 ATOM 1213 C C . LEU A 1 168 ? 39.625 85.649 21.816 1.00 29.02 ? 168 LEU A C 1 ATOM 1214 O O . LEU A 1 168 ? 40.094 86.659 21.305 1.00 37.87 ? 168 LEU A O 1 ATOM 1215 C CB . LEU A 1 168 ? 40.698 85.275 24.070 1.00 31.69 ? 168 LEU A CB 1 ATOM 1216 C CG . LEU A 1 168 ? 40.582 85.246 25.612 1.00 41.09 ? 168 LEU A CG 1 ATOM 1217 C CD1 . LEU A 1 168 ? 41.871 84.791 26.217 1.00 36.14 ? 168 LEU A CD1 1 ATOM 1218 C CD2 . LEU A 1 168 ? 40.235 86.610 26.156 1.00 30.81 ? 168 LEU A CD2 1 ATOM 1219 N N . MET A 1 169 ? 39.279 84.592 21.095 1.00 24.91 ? 169 MET A N 1 ATOM 1220 C CA . MET A 1 169 ? 39.512 84.533 19.666 1.00 29.75 ? 169 MET A CA 1 ATOM 1221 C C . MET A 1 169 ? 38.486 85.126 18.717 1.00 40.50 ? 169 MET A C 1 ATOM 1222 O O . MET A 1 169 ? 37.308 84.750 18.725 1.00 41.59 ? 169 MET A O 1 ATOM 1223 C CB . MET A 1 169 ? 39.734 83.082 19.252 1.00 31.91 ? 169 MET A CB 1 ATOM 1224 C CG . MET A 1 169 ? 40.913 82.427 19.911 1.00 29.08 ? 169 MET A CG 1 ATOM 1225 S SD . MET A 1 169 ? 40.881 80.674 19.557 1.00 29.94 ? 169 MET A SD 1 ATOM 1226 C CE . MET A 1 169 ? 41.311 80.683 17.896 1.00 16.95 ? 169 MET A CE 1 ATOM 1227 N N . PRO A 1 170 ? 38.928 86.059 17.874 1.00 33.67 ? 170 PRO A N 1 ATOM 1228 C CA . PRO A 1 170 ? 38.008 86.670 16.915 1.00 36.77 ? 170 PRO A CA 1 ATOM 1229 C C . PRO A 1 170 ? 37.679 85.590 15.889 1.00 33.05 ? 170 PRO A C 1 ATOM 1230 O O . PRO A 1 170 ? 38.559 84.824 15.513 1.00 33.04 ? 170 PRO A O 1 ATOM 1231 C CB . PRO A 1 170 ? 38.846 87.794 16.301 1.00 38.57 ? 170 PRO A CB 1 ATOM 1232 C CG . PRO A 1 170 ? 39.764 88.191 17.443 1.00 35.69 ? 170 PRO A CG 1 ATOM 1233 C CD . PRO A 1 170 ? 40.175 86.832 17.989 1.00 38.86 ? 170 PRO A CD 1 ATOM 1234 N N . ALA A 1 171 ? 36.426 85.518 15.443 1.00 34.32 ? 171 ALA A N 1 ATOM 1235 C CA . ALA A 1 171 ? 36.044 84.522 14.446 1.00 33.24 ? 171 ALA A CA 1 ATOM 1236 C C . ALA A 1 171 ? 37.009 84.683 13.295 1.00 32.62 ? 171 ALA A C 1 ATOM 1237 O O . ALA A 1 171 ? 37.337 85.823 12.901 1.00 29.18 ? 171 ALA A O 1 ATOM 1238 C CB . ALA A 1 171 ? 34.607 84.768 13.940 1.00 30.92 ? 171 ALA A CB 1 ATOM 1239 N N . GLY A 1 172 ? 37.470 83.553 12.765 1.00 27.83 ? 172 GLY A N 1 ATOM 1240 C CA . GLY A 1 172 ? 38.385 83.600 11.634 1.00 32.95 ? 172 GLY A CA 1 ATOM 1241 C C . GLY A 1 172 ? 39.849 83.400 11.979 1.00 40.84 ? 172 GLY A C 1 ATOM 1242 O O . GLY A 1 172 ? 40.662 83.146 11.095 1.00 32.49 ? 172 GLY A O 1 ATOM 1243 N N . SER A 1 173 ? 40.170 83.488 13.264 1.00 31.52 ? 173 SER A N 1 ATOM 1244 C CA . SER A 1 173 ? 41.535 83.362 13.750 1.00 30.18 ? 173 SER A CA 1 ATOM 1245 C C . SER A 1 173 ? 42.025 81.925 13.774 1.00 33.21 ? 173 SER A C 1 ATOM 1246 O O . SER A 1 173 ? 41.228 80.987 13.699 1.00 39.13 ? 173 SER A O 1 ATOM 1247 C CB . SER A 1 173 ? 41.626 83.906 15.198 1.00 27.46 ? 173 SER A CB 1 ATOM 1248 O OG . SER A 1 173 ? 41.065 85.198 15.347 1.00 34.04 ? 173 SER A OG 1 ATOM 1249 N N . THR A 1 174 ? 43.345 81.770 13.883 1.00 32.72 ? 174 THR A N 1 ATOM 1250 C CA . THR A 1 174 ? 44.000 80.462 14.027 1.00 33.52 ? 174 THR A CA 1 ATOM 1251 C C . THR A 1 174 ? 45.086 80.622 15.117 1.00 35.52 ? 174 THR A C 1 ATOM 1252 O O . THR A 1 174 ? 46.087 81.302 14.934 1.00 36.63 ? 174 THR A O 1 ATOM 1253 C CB . THR A 1 174 ? 44.665 79.964 12.738 1.00 28.10 ? 174 THR A CB 1 ATOM 1254 O OG1 . THR A 1 174 ? 43.664 79.683 11.768 1.00 29.09 ? 174 THR A OG1 1 ATOM 1255 C CG2 . THR A 1 174 ? 45.431 78.667 12.995 1.00 25.22 ? 174 THR A CG2 1 ATOM 1256 N N . TRP A 1 175 ? 44.865 80.002 16.261 1.00 35.51 ? 175 TRP A N 1 ATOM 1257 C CA . TRP A 1 175 ? 45.783 80.102 17.369 1.00 28.69 ? 175 TRP A CA 1 ATOM 1258 C C . TRP A 1 175 ? 46.341 78.725 17.669 1.00 37.65 ? 175 TRP A C 1 ATOM 1259 O O . TRP A 1 175 ? 45.799 77.724 17.223 1.00 31.76 ? 175 TRP A O 1 ATOM 1260 C CB . TRP A 1 175 ? 45.031 80.546 18.619 1.00 26.35 ? 175 TRP A CB 1 ATOM 1261 C CG . TRP A 1 175 ? 44.597 82.000 18.724 1.00 32.62 ? 175 TRP A CG 1 ATOM 1262 C CD1 . TRP A 1 175 ? 44.554 82.941 17.739 1.00 23.00 ? 175 TRP A CD1 1 ATOM 1263 C CD2 . TRP A 1 175 ? 44.217 82.663 19.925 1.00 22.37 ? 175 TRP A CD2 1 ATOM 1264 N NE1 . TRP A 1 175 ? 44.188 84.147 18.252 1.00 32.53 ? 175 TRP A NE1 1 ATOM 1265 C CE2 . TRP A 1 175 ? 43.970 84.009 19.596 1.00 28.78 ? 175 TRP A CE2 1 ATOM 1266 C CE3 . TRP A 1 175 ? 44.073 82.248 21.254 1.00 23.91 ? 175 TRP A CE3 1 ATOM 1267 C CZ2 . TRP A 1 175 ? 43.587 84.952 20.547 1.00 33.06 ? 175 TRP A CZ2 1 ATOM 1268 C CZ3 . TRP A 1 175 ? 43.701 83.182 22.204 1.00 31.34 ? 175 TRP A CZ3 1 ATOM 1269 C CH2 . TRP A 1 175 ? 43.458 84.525 21.848 1.00 33.21 ? 175 TRP A CH2 1 ATOM 1270 N N . GLU A 1 176 ? 47.438 78.687 18.416 1.00 33.92 ? 176 GLU A N 1 ATOM 1271 C CA . GLU A 1 176 ? 47.985 77.423 18.874 1.00 38.20 ? 176 GLU A CA 1 ATOM 1272 C C . GLU A 1 176 ? 47.926 77.627 20.367 1.00 35.36 ? 176 GLU A C 1 ATOM 1273 O O . GLU A 1 176 ? 48.479 78.610 20.894 1.00 33.21 ? 176 GLU A O 1 ATOM 1274 C CB . GLU A 1 176 ? 49.438 77.193 18.445 1.00 39.77 ? 176 GLU A CB 1 ATOM 1275 C CG . GLU A 1 176 ? 49.954 75.842 18.921 1.00 38.36 ? 176 GLU A CG 1 ATOM 1276 C CD . GLU A 1 176 ? 51.247 75.402 18.241 1.00 51.77 ? 176 GLU A CD 1 ATOM 1277 O OE1 . GLU A 1 176 ? 52.269 76.083 18.428 1.00 44.03 ? 176 GLU A OE1 1 ATOM 1278 O OE2 . GLU A 1 176 ? 51.246 74.370 17.521 1.00 51.21 ? 176 GLU A OE2 1 ATOM 1279 N N . ILE A 1 177 ? 47.228 76.737 21.056 1.00 29.00 ? 177 ILE A N 1 ATOM 1280 C CA . ILE A 1 177 ? 47.126 76.879 22.500 1.00 29.22 ? 177 ILE A CA 1 ATOM 1281 C C . ILE A 1 177 ? 47.898 75.757 23.181 1.00 28.67 ? 177 ILE A C 1 ATOM 1282 O O . ILE A 1 177 ? 48.093 74.659 22.609 1.00 31.50 ? 177 ILE A O 1 ATOM 1283 C CB . ILE A 1 177 ? 45.631 76.957 22.981 1.00 30.12 ? 177 ILE A CB 1 ATOM 1284 C CG1 . ILE A 1 177 ? 44.867 75.661 22.713 1.00 35.38 ? 177 ILE A CG1 1 ATOM 1285 C CG2 . ILE A 1 177 ? 44.912 78.036 22.207 1.00 28.52 ? 177 ILE A CG2 1 ATOM 1286 C CD1 . ILE A 1 177 ? 43.508 75.640 23.425 1.00 31.77 ? 177 ILE A CD1 1 ATOM 1287 N N . TYR A 1 178 ? 48.387 76.057 24.383 1.00 29.43 ? 178 TYR A N 1 ATOM 1288 C CA . TYR A 1 178 ? 49.186 75.122 25.164 1.00 29.13 ? 178 TYR A CA 1 ATOM 1289 C C . TYR A 1 178 ? 48.425 75.038 26.454 1.00 32.66 ? 178 TYR A C 1 ATOM 1290 O O . TYR A 1 178 ? 48.390 75.980 27.229 1.00 33.12 ? 178 TYR A O 1 ATOM 1291 C CB . TYR A 1 178 ? 50.594 75.698 25.356 1.00 34.78 ? 178 TYR A CB 1 ATOM 1292 C CG . TYR A 1 178 ? 51.196 76.192 24.049 1.00 29.67 ? 178 TYR A CG 1 ATOM 1293 C CD1 . TYR A 1 178 ? 51.113 77.540 23.674 1.00 36.49 ? 178 TYR A CD1 1 ATOM 1294 C CD2 . TYR A 1 178 ? 51.793 75.306 23.163 1.00 29.44 ? 178 TYR A CD2 1 ATOM 1295 C CE1 . TYR A 1 178 ? 51.618 77.982 22.437 1.00 30.22 ? 178 TYR A CE1 1 ATOM 1296 C CE2 . TYR A 1 178 ? 52.290 75.738 21.934 1.00 43.75 ? 178 TYR A CE2 1 ATOM 1297 C CZ . TYR A 1 178 ? 52.197 77.073 21.584 1.00 33.22 ? 178 TYR A CZ 1 ATOM 1298 O OH . TYR A 1 178 ? 52.679 77.476 20.374 1.00 42.99 ? 178 TYR A OH 1 ATOM 1299 N N . VAL A 1 179 ? 47.834 73.874 26.669 1.00 34.71 ? 179 VAL A N 1 ATOM 1300 C CA . VAL A 1 179 ? 46.948 73.642 27.770 1.00 25.43 ? 179 VAL A CA 1 ATOM 1301 C C . VAL A 1 179 ? 47.376 72.855 29.006 1.00 31.78 ? 179 VAL A C 1 ATOM 1302 O O . VAL A 1 179 ? 47.654 71.650 28.939 1.00 32.68 ? 179 VAL A O 1 ATOM 1303 C CB . VAL A 1 179 ? 45.656 73.002 27.196 1.00 28.54 ? 179 VAL A CB 1 ATOM 1304 C CG1 . VAL A 1 179 ? 44.558 73.034 28.212 1.00 23.15 ? 179 VAL A CG1 1 ATOM 1305 C CG2 . VAL A 1 179 ? 45.217 73.748 25.932 1.00 23.14 ? 179 VAL A CG2 1 ATOM 1306 N N . PRO A 1 180 ? 47.411 73.531 30.168 1.00 27.75 ? 180 PRO A N 1 ATOM 1307 C CA . PRO A 1 180 ? 47.788 72.903 31.445 1.00 34.85 ? 180 PRO A CA 1 ATOM 1308 C C . PRO A 1 180 ? 46.806 71.745 31.670 1.00 30.81 ? 180 PRO A C 1 ATOM 1309 O O . PRO A 1 180 ? 45.640 71.835 31.283 1.00 40.50 ? 180 PRO A O 1 ATOM 1310 C CB . PRO A 1 180 ? 47.598 74.039 32.453 1.00 31.87 ? 180 PRO A CB 1 ATOM 1311 C CG . PRO A 1 180 ? 47.928 75.259 31.649 1.00 39.80 ? 180 PRO A CG 1 ATOM 1312 C CD . PRO A 1 180 ? 47.231 74.985 30.331 1.00 30.03 ? 180 PRO A CD 1 ATOM 1313 N N . SER A 1 181 ? 47.253 70.662 32.281 1.00 35.02 ? 181 SER A N 1 ATOM 1314 C CA . SER A 1 181 ? 46.363 69.517 32.464 1.00 29.88 ? 181 SER A CA 1 ATOM 1315 C C . SER A 1 181 ? 45.098 69.882 33.243 1.00 35.49 ? 181 SER A C 1 ATOM 1316 O O . SER A 1 181 ? 44.052 69.322 33.001 1.00 35.06 ? 181 SER A O 1 ATOM 1317 C CB . SER A 1 181 ? 47.107 68.370 33.159 1.00 32.45 ? 181 SER A CB 1 ATOM 1318 O OG . SER A 1 181 ? 47.437 68.693 34.504 1.00 35.44 ? 181 SER A OG 1 ATOM 1319 N N . GLY A 1 182 ? 45.185 70.831 34.168 1.00 37.40 ? 182 GLY A N 1 ATOM 1320 C CA . GLY A 1 182 ? 44.006 71.212 34.923 1.00 26.80 ? 182 GLY A CA 1 ATOM 1321 C C . GLY A 1 182 ? 42.928 71.862 34.068 1.00 36.46 ? 182 GLY A C 1 ATOM 1322 O O . GLY A 1 182 ? 41.795 72.008 34.512 1.00 37.64 ? 182 GLY A O 1 ATOM 1323 N N . LEU A 1 183 ? 43.273 72.250 32.842 1.00 28.65 ? 183 LEU A N 1 ATOM 1324 C CA . LEU A 1 183 ? 42.321 72.874 31.932 1.00 34.59 ? 183 LEU A CA 1 ATOM 1325 C C . LEU A 1 183 ? 41.970 71.938 30.774 1.00 39.87 ? 183 LEU A C 1 ATOM 1326 O O . LEU A 1 183 ? 41.228 72.313 29.863 1.00 40.41 ? 183 LEU A O 1 ATOM 1327 C CB . LEU A 1 183 ? 42.879 74.196 31.372 1.00 33.48 ? 183 LEU A CB 1 ATOM 1328 C CG . LEU A 1 183 ? 43.298 75.322 32.327 1.00 38.08 ? 183 LEU A CG 1 ATOM 1329 C CD1 . LEU A 1 183 ? 43.587 76.590 31.526 1.00 36.06 ? 183 LEU A CD1 1 ATOM 1330 C CD2 . LEU A 1 183 ? 42.198 75.603 33.333 1.00 39.46 ? 183 LEU A CD2 1 ATOM 1331 N N . ALA A 1 184 ? 42.532 70.732 30.797 1.00 38.32 ? 184 ALA A N 1 ATOM 1332 C CA . ALA A 1 184 ? 42.243 69.731 29.772 1.00 40.60 ? 184 ALA A CA 1 ATOM 1333 C C . ALA A 1 184 ? 41.523 68.613 30.497 1.00 32.41 ? 184 ALA A C 1 ATOM 1334 O O . ALA A 1 184 ? 40.423 68.830 30.982 1.00 37.26 ? 184 ALA A O 1 ATOM 1335 C CB . ALA A 1 184 ? 43.533 69.220 29.115 1.00 24.17 ? 184 ALA A CB 1 ATOM 1336 N N . TYR A 1 185 ? 42.141 67.432 30.599 1.00 36.49 ? 185 TYR A N 1 ATOM 1337 C CA . TYR A 1 185 ? 41.510 66.310 31.293 1.00 32.72 ? 185 TYR A CA 1 ATOM 1338 C C . TYR A 1 185 ? 41.943 66.010 32.729 1.00 40.99 ? 185 TYR A C 1 ATOM 1339 O O . TYR A 1 185 ? 41.403 65.114 33.356 1.00 45.90 ? 185 TYR A O 1 ATOM 1340 C CB . TYR A 1 185 ? 41.650 65.055 30.445 1.00 35.10 ? 185 TYR A CB 1 ATOM 1341 C CG . TYR A 1 185 ? 41.036 65.266 29.106 1.00 30.43 ? 185 TYR A CG 1 ATOM 1342 C CD1 . TYR A 1 185 ? 41.812 65.628 28.012 1.00 25.46 ? 185 TYR A CD1 1 ATOM 1343 C CD2 . TYR A 1 185 ? 39.655 65.190 28.944 1.00 32.69 ? 185 TYR A CD2 1 ATOM 1344 C CE1 . TYR A 1 185 ? 41.226 65.916 26.766 1.00 27.56 ? 185 TYR A CE1 1 ATOM 1345 C CE2 . TYR A 1 185 ? 39.059 65.474 27.714 1.00 26.57 ? 185 TYR A CE2 1 ATOM 1346 C CZ . TYR A 1 185 ? 39.841 65.837 26.638 1.00 29.84 ? 185 TYR A CZ 1 ATOM 1347 O OH . TYR A 1 185 ? 39.222 66.171 25.461 1.00 37.96 ? 185 TYR A OH 1 ATOM 1348 N N . GLY A 1 186 ? 42.930 66.728 33.249 1.00 38.72 ? 186 GLY A N 1 ATOM 1349 C CA . GLY A 1 186 ? 43.342 66.504 34.621 1.00 40.65 ? 186 GLY A CA 1 ATOM 1350 C C . GLY A 1 186 ? 44.005 65.199 35.037 1.00 44.16 ? 186 GLY A C 1 ATOM 1351 O O . GLY A 1 186 ? 44.587 64.465 34.230 1.00 42.68 ? 186 GLY A O 1 ATOM 1352 N N . PRO A 1 187 ? 43.925 64.893 36.331 1.00 41.37 ? 187 PRO A N 1 ATOM 1353 C CA . PRO A 1 187 ? 44.492 63.699 36.971 1.00 46.52 ? 187 PRO A CA 1 ATOM 1354 C C . PRO A 1 187 ? 43.854 62.397 36.514 1.00 53.03 ? 187 PRO A C 1 ATOM 1355 O O . PRO A 1 187 ? 44.451 61.333 36.627 1.00 59.59 ? 187 PRO A O 1 ATOM 1356 C CB . PRO A 1 187 ? 44.266 63.965 38.458 1.00 42.18 ? 187 PRO A CB 1 ATOM 1357 C CG . PRO A 1 187 ? 42.957 64.715 38.453 1.00 46.82 ? 187 PRO A CG 1 ATOM 1358 C CD . PRO A 1 187 ? 43.093 65.665 37.275 1.00 39.98 ? 187 PRO A CD 1 ATOM 1359 N N . ARG A 1 188 ? 42.629 62.487 36.014 1.00 63.76 ? 188 ARG A N 1 ATOM 1360 C CA . ARG A 1 188 ? 41.915 61.312 35.534 1.00 66.23 ? 188 ARG A CA 1 ATOM 1361 C C . ARG A 1 188 ? 42.230 61.220 34.061 1.00 72.99 ? 188 ARG A C 1 ATOM 1362 O O . ARG A 1 188 ? 42.652 62.209 33.475 1.00 80.96 ? 188 ARG A O 1 ATOM 1363 C CB . ARG A 1 188 ? 40.401 61.493 35.704 1.00 67.41 ? 188 ARG A CB 1 ATOM 1364 C CG . ARG A 1 188 ? 39.916 61.650 37.132 0.00 56.10 ? 188 ARG A CG 1 ATOM 1365 C CD . ARG A 1 188 ? 38.398 61.739 37.156 0.00 49.26 ? 188 ARG A CD 1 ATOM 1366 N NE . ARG A 1 188 ? 37.860 61.856 38.508 0.00 41.62 ? 188 ARG A NE 1 ATOM 1367 C CZ . ARG A 1 188 ? 36.562 61.902 38.790 0.00 37.80 ? 188 ARG A CZ 1 ATOM 1368 N NH1 . ARG A 1 188 ? 35.667 61.840 37.813 0.00 35.13 ? 188 ARG A NH1 1 ATOM 1369 N NH2 . ARG A 1 188 ? 36.158 62.008 40.048 0.00 35.13 ? 188 ARG A NH2 1 ATOM 1370 N N . SER A 1 189 ? 42.048 60.044 33.470 1.00 84.86 ? 189 SER A N 1 ATOM 1371 C CA . SER A 1 189 ? 42.279 59.867 32.039 1.00 91.82 ? 189 SER A CA 1 ATOM 1372 C C . SER A 1 189 ? 42.721 58.470 31.637 1.00 99.21 ? 189 SER A C 1 ATOM 1373 O O . SER A 1 189 ? 43.884 58.238 31.267 1.00 93.66 ? 189 SER A O 1 ATOM 1374 C CB . SER A 1 189 ? 43.292 60.883 31.501 1.00 94.66 ? 189 SER A CB 1 ATOM 1375 O OG . SER A 1 189 ? 43.013 61.179 30.144 1.00 97.25 ? 189 SER A OG 1 ATOM 1376 N N . VAL A 1 190 ? 41.779 57.536 31.725 1.00 100.38 ? 190 VAL A N 1 ATOM 1377 C CA . VAL A 1 190 ? 42.017 56.151 31.316 1.00 100.38 ? 190 VAL A CA 1 ATOM 1378 C C . VAL A 1 190 ? 41.417 56.119 29.898 1.00 100.38 ? 190 VAL A C 1 ATOM 1379 O O . VAL A 1 190 ? 40.804 55.132 29.465 1.00 99.93 ? 190 VAL A O 1 ATOM 1380 C CB . VAL A 1 190 ? 41.282 55.138 32.260 1.00 100.38 ? 190 VAL A CB 1 ATOM 1381 C CG1 . VAL A 1 190 ? 41.714 53.704 31.933 1.00 100.38 ? 190 VAL A CG1 1 ATOM 1382 C CG2 . VAL A 1 190 ? 41.585 55.466 33.727 1.00 95.95 ? 190 VAL A CG2 1 ATOM 1383 N N . GLY A 1 191 ? 41.601 57.245 29.200 1.00 100.38 ? 191 GLY A N 1 ATOM 1384 C CA . GLY A 1 191 ? 41.097 57.412 27.849 1.00 100.38 ? 191 GLY A CA 1 ATOM 1385 C C . GLY A 1 191 ? 42.128 57.095 26.783 1.00 98.28 ? 191 GLY A C 1 ATOM 1386 O O . GLY A 1 191 ? 43.092 56.367 27.038 1.00 100.08 ? 191 GLY A O 1 ATOM 1387 N N . GLY A 1 192 ? 41.919 57.652 25.592 1.00 91.66 ? 192 GLY A N 1 ATOM 1388 C CA . GLY A 1 192 ? 42.818 57.416 24.475 1.00 76.79 ? 192 GLY A CA 1 ATOM 1389 C C . GLY A 1 192 ? 44.292 57.663 24.729 1.00 75.07 ? 192 GLY A C 1 ATOM 1390 O O . GLY A 1 192 ? 44.844 57.247 25.752 1.00 72.34 ? 192 GLY A O 1 ATOM 1391 N N . PRO A 1 193 ? 44.968 58.336 23.788 1.00 71.35 ? 193 PRO A N 1 ATOM 1392 C CA . PRO A 1 193 ? 46.400 58.635 23.923 1.00 59.02 ? 193 PRO A CA 1 ATOM 1393 C C . PRO A 1 193 ? 46.678 59.571 25.098 1.00 52.67 ? 193 PRO A C 1 ATOM 1394 O O . PRO A 1 193 ? 47.815 59.685 25.558 1.00 53.50 ? 193 PRO A O 1 ATOM 1395 C CB . PRO A 1 193 ? 46.748 59.271 22.577 1.00 67.42 ? 193 PRO A CB 1 ATOM 1396 C CG . PRO A 1 193 ? 45.722 58.666 21.632 1.00 61.49 ? 193 PRO A CG 1 ATOM 1397 C CD . PRO A 1 193 ? 44.468 58.718 22.457 1.00 65.41 ? 193 PRO A CD 1 ATOM 1398 N N . ILE A 1 194 ? 45.628 60.234 25.579 1.00 49.23 ? 194 ILE A N 1 ATOM 1399 C CA . ILE A 1 194 ? 45.754 61.175 26.696 1.00 53.74 ? 194 ILE A CA 1 ATOM 1400 C C . ILE A 1 194 ? 45.829 60.431 28.044 1.00 56.35 ? 194 ILE A C 1 ATOM 1401 O O . ILE A 1 194 ? 44.921 59.670 28.417 1.00 50.36 ? 194 ILE A O 1 ATOM 1402 C CB . ILE A 1 194 ? 44.541 62.206 26.770 1.00 56.02 ? 194 ILE A CB 1 ATOM 1403 C CG1 . ILE A 1 194 ? 44.364 62.998 25.458 1.00 37.20 ? 194 ILE A CG1 1 ATOM 1404 C CG2 . ILE A 1 194 ? 44.773 63.171 27.902 1.00 40.10 ? 194 ILE A CG2 1 ATOM 1405 C CD1 . ILE A 1 194 ? 45.554 63.790 25.098 1.00 50.51 ? 194 ILE A CD1 1 ATOM 1406 N N . GLY A 1 195 ? 46.909 60.660 28.779 1.00 46.37 ? 195 GLY A N 1 ATOM 1407 C CA . GLY A 1 195 ? 47.046 60.024 30.071 1.00 45.35 ? 195 GLY A CA 1 ATOM 1408 C C . GLY A 1 195 ? 46.745 60.971 31.221 1.00 54.27 ? 195 GLY A C 1 ATOM 1409 O O . GLY A 1 195 ? 46.148 62.037 31.032 1.00 48.29 ? 195 GLY A O 1 ATOM 1410 N N . PRO A 1 196 ? 47.147 60.601 32.443 1.00 50.80 ? 196 PRO A N 1 ATOM 1411 C CA . PRO A 1 196 ? 46.880 61.479 33.585 1.00 54.11 ? 196 PRO A CA 1 ATOM 1412 C C . PRO A 1 196 ? 47.798 62.698 33.638 1.00 48.46 ? 196 PRO A C 1 ATOM 1413 O O . PRO A 1 196 ? 48.993 62.614 33.295 1.00 42.26 ? 196 PRO A O 1 ATOM 1414 C CB . PRO A 1 196 ? 47.048 60.539 34.789 1.00 50.15 ? 196 PRO A CB 1 ATOM 1415 C CG . PRO A 1 196 ? 48.105 59.573 34.315 1.00 50.05 ? 196 PRO A CG 1 ATOM 1416 C CD . PRO A 1 196 ? 47.657 59.290 32.885 1.00 43.78 ? 196 PRO A CD 1 ATOM 1417 N N . ASN A 1 197 ? 47.227 63.823 34.075 1.00 41.30 ? 197 ASN A N 1 ATOM 1418 C CA . ASN A 1 197 ? 47.939 65.102 34.187 1.00 31.85 ? 197 ASN A CA 1 ATOM 1419 C C . ASN A 1 197 ? 48.765 65.433 32.971 1.00 35.74 ? 197 ASN A C 1 ATOM 1420 O O . ASN A 1 197 ? 49.935 65.823 33.074 1.00 35.14 ? 197 ASN A O 1 ATOM 1421 C CB . ASN A 1 197 ? 48.842 65.130 35.410 1.00 39.30 ? 197 ASN A CB 1 ATOM 1422 C CG . ASN A 1 197 ? 48.068 65.000 36.683 1.00 48.75 ? 197 ASN A CG 1 ATOM 1423 O OD1 . ASN A 1 197 ? 46.856 65.257 36.718 1.00 36.99 ? 197 ASN A OD1 1 ATOM 1424 N ND2 . ASN A 1 197 ? 48.755 64.611 37.747 1.00 40.12 ? 197 ASN A ND2 1 ATOM 1425 N N . GLU A 1 198 ? 48.143 65.285 31.814 1.00 41.57 ? 198 GLU A N 1 ATOM 1426 C CA . GLU A 1 198 ? 48.814 65.558 30.564 1.00 43.59 ? 198 GLU A CA 1 ATOM 1427 C C . GLU A 1 198 ? 48.494 66.956 30.041 1.00 42.37 ? 198 GLU A C 1 ATOM 1428 O O . GLU A 1 198 ? 47.323 67.325 29.900 1.00 34.81 ? 198 GLU A O 1 ATOM 1429 C CB . GLU A 1 198 ? 48.401 64.506 29.531 1.00 48.69 ? 198 GLU A CB 1 ATOM 1430 C CG . GLU A 1 198 ? 49.329 64.441 28.345 1.00 60.58 ? 198 GLU A CG 1 ATOM 1431 C CD . GLU A 1 198 ? 49.706 63.022 27.984 1.00 59.62 ? 198 GLU A CD 1 ATOM 1432 O OE1 . GLU A 1 198 ? 50.767 62.843 27.346 1.00 67.52 ? 198 GLU A OE1 1 ATOM 1433 O OE2 . GLU A 1 198 ? 48.944 62.090 28.328 1.00 63.51 ? 198 GLU A OE2 1 ATOM 1434 N N . THR A 1 199 ? 49.547 67.723 29.777 1.00 37.03 ? 199 THR A N 1 ATOM 1435 C CA . THR A 1 199 ? 49.439 69.065 29.218 1.00 38.45 ? 199 THR A CA 1 ATOM 1436 C C . THR A 1 199 ? 49.342 68.843 27.721 1.00 44.62 ? 199 THR A C 1 ATOM 1437 O O . THR A 1 199 ? 50.112 68.046 27.170 1.00 40.07 ? 199 THR A O 1 ATOM 1438 C CB . THR A 1 199 ? 50.682 69.897 29.557 1.00 39.20 ? 199 THR A CB 1 ATOM 1439 O OG1 . THR A 1 199 ? 50.537 70.393 30.886 1.00 40.87 ? 199 THR A OG1 1 ATOM 1440 C CG2 . THR A 1 199 ? 50.864 71.084 28.590 1.00 23.57 ? 199 THR A CG2 1 ATOM 1441 N N . LEU A 1 200 ? 48.407 69.546 27.078 1.00 41.72 ? 200 LEU A N 1 ATOM 1442 C CA . LEU A 1 200 ? 48.134 69.398 25.644 1.00 30.25 ? 200 LEU A CA 1 ATOM 1443 C C . LEU A 1 200 ? 48.370 70.614 24.771 1.00 36.91 ? 200 LEU A C 1 ATOM 1444 O O . LEU A 1 200 ? 48.349 71.760 25.235 1.00 42.61 ? 200 LEU A O 1 ATOM 1445 C CB . LEU A 1 200 ? 46.685 68.964 25.450 1.00 33.34 ? 200 LEU A CB 1 ATOM 1446 C CG . LEU A 1 200 ? 46.233 67.873 26.412 1.00 44.87 ? 200 LEU A CG 1 ATOM 1447 C CD1 . LEU A 1 200 ? 44.737 67.592 26.268 1.00 36.57 ? 200 LEU A CD1 1 ATOM 1448 C CD2 . LEU A 1 200 ? 47.045 66.641 26.115 1.00 34.90 ? 200 LEU A CD2 1 ATOM 1449 N N . ILE A 1 201 ? 48.559 70.350 23.480 1.00 34.53 ? 201 ILE A N 1 ATOM 1450 C CA . ILE A 1 201 ? 48.778 71.411 22.520 1.00 33.80 ? 201 ILE A CA 1 ATOM 1451 C C . ILE A 1 201 ? 47.750 71.341 21.415 1.00 36.14 ? 201 ILE A C 1 ATOM 1452 O O . ILE A 1 201 ? 47.484 70.260 20.862 1.00 30.32 ? 201 ILE A O 1 ATOM 1453 C CB . ILE A 1 201 ? 50.149 71.316 21.896 1.00 44.86 ? 201 ILE A CB 1 ATOM 1454 C CG1 . ILE A 1 201 ? 51.212 71.258 23.001 1.00 35.58 ? 201 ILE A CG1 1 ATOM 1455 C CG2 . ILE A 1 201 ? 50.369 72.520 20.971 1.00 37.84 ? 201 ILE A CG2 1 ATOM 1456 C CD1 . ILE A 1 201 ? 52.622 71.030 22.440 1.00 40.07 ? 201 ILE A CD1 1 ATOM 1457 N N . PHE A 1 202 ? 47.165 72.493 21.098 1.00 30.81 ? 202 PHE A N 1 ATOM 1458 C CA . PHE A 1 202 ? 46.161 72.540 20.048 1.00 29.02 ? 202 PHE A CA 1 ATOM 1459 C C . PHE A 1 202 ? 46.365 73.655 19.054 1.00 36.25 ? 202 PHE A C 1 ATOM 1460 O O . PHE A 1 202 ? 46.730 74.791 19.410 1.00 35.77 ? 202 PHE A O 1 ATOM 1461 C CB . PHE A 1 202 ? 44.752 72.773 20.600 1.00 28.15 ? 202 PHE A CB 1 ATOM 1462 C CG . PHE A 1 202 ? 44.212 71.680 21.403 1.00 27.07 ? 202 PHE A CG 1 ATOM 1463 C CD1 . PHE A 1 202 ? 44.376 71.675 22.780 1.00 29.68 ? 202 PHE A CD1 1 ATOM 1464 C CD2 . PHE A 1 202 ? 43.439 70.690 20.807 1.00 37.52 ? 202 PHE A CD2 1 ATOM 1465 C CE1 . PHE A 1 202 ? 43.758 70.691 23.569 1.00 40.00 ? 202 PHE A CE1 1 ATOM 1466 C CE2 . PHE A 1 202 ? 42.820 69.705 21.576 1.00 39.37 ? 202 PHE A CE2 1 ATOM 1467 C CZ . PHE A 1 202 ? 42.975 69.705 22.964 1.00 31.29 ? 202 PHE A CZ 1 ATOM 1468 N N . LYS A 1 203 ? 46.096 73.337 17.799 1.00 29.86 ? 203 LYS A N 1 ATOM 1469 C CA . LYS A 1 203 ? 46.143 74.355 16.788 1.00 35.08 ? 203 LYS A CA 1 ATOM 1470 C C . LYS A 1 203 ? 44.642 74.491 16.524 1.00 38.14 ? 203 LYS A C 1 ATOM 1471 O O . LYS A 1 203 ? 43.960 73.516 16.164 1.00 33.87 ? 203 LYS A O 1 ATOM 1472 C CB . LYS A 1 203 ? 46.898 73.903 15.546 1.00 40.54 ? 203 LYS A CB 1 ATOM 1473 C CG . LYS A 1 203 ? 47.003 75.042 14.529 1.00 53.96 ? 203 LYS A CG 1 ATOM 1474 C CD . LYS A 1 203 ? 47.794 74.693 13.278 1.00 72.85 ? 203 LYS A CD 1 ATOM 1475 C CE . LYS A 1 203 ? 47.898 75.922 12.370 1.00 82.16 ? 203 LYS A CE 1 ATOM 1476 N NZ . LYS A 1 203 ? 48.580 75.643 11.083 1.00 75.86 ? 203 LYS A NZ 1 ATOM 1477 N N . ILE A 1 204 ? 44.106 75.678 16.765 1.00 27.20 ? 204 ILE A N 1 ATOM 1478 C CA . ILE A 1 204 ? 42.690 75.864 16.570 1.00 29.17 ? 204 ILE A CA 1 ATOM 1479 C C . ILE A 1 204 ? 42.389 76.992 15.633 1.00 31.65 ? 204 ILE A C 1 ATOM 1480 O O . ILE A 1 204 ? 42.858 78.109 15.803 1.00 31.92 ? 204 ILE A O 1 ATOM 1481 C CB . ILE A 1 204 ? 41.938 76.163 17.890 1.00 28.18 ? 204 ILE A CB 1 ATOM 1482 C CG1 . ILE A 1 204 ? 42.252 75.100 18.942 1.00 36.44 ? 204 ILE A CG1 1 ATOM 1483 C CG2 . ILE A 1 204 ? 40.434 76.198 17.622 1.00 25.09 ? 204 ILE A CG2 1 ATOM 1484 C CD1 . ILE A 1 204 ? 41.555 75.307 20.316 1.00 36.04 ? 204 ILE A CD1 1 ATOM 1485 N N . HIS A 1 205 ? 41.580 76.678 14.639 1.00 30.18 ? 205 HIS A N 1 ATOM 1486 C CA . HIS A 1 205 ? 41.146 77.655 13.693 1.00 34.64 ? 205 HIS A CA 1 ATOM 1487 C C . HIS A 1 205 ? 39.648 77.821 13.928 1.00 38.97 ? 205 HIS A C 1 ATOM 1488 O O . HIS A 1 205 ? 38.876 76.887 13.699 1.00 38.07 ? 205 HIS A O 1 ATOM 1489 C CB . HIS A 1 205 ? 41.399 77.194 12.257 1.00 23.80 ? 205 HIS A CB 1 ATOM 1490 C CG . HIS A 1 205 ? 40.798 78.111 11.237 1.00 28.21 ? 205 HIS A CG 1 ATOM 1491 N ND1 . HIS A 1 205 ? 40.810 79.483 11.384 1.00 29.24 ? 205 HIS A ND1 1 ATOM 1492 C CD2 . HIS A 1 205 ? 40.077 77.859 10.115 1.00 20.90 ? 205 HIS A CD2 1 ATOM 1493 C CE1 . HIS A 1 205 ? 40.115 80.038 10.405 1.00 22.01 ? 205 HIS A CE1 1 ATOM 1494 N NE2 . HIS A 1 205 ? 39.662 79.071 9.625 1.00 32.90 ? 205 HIS A NE2 1 ATOM 1495 N N . LEU A 1 206 ? 39.243 78.991 14.417 1.00 32.17 ? 206 LEU A N 1 ATOM 1496 C CA . LEU A 1 206 ? 37.825 79.255 14.655 1.00 30.73 ? 206 LEU A CA 1 ATOM 1497 C C . LEU A 1 206 ? 37.254 79.804 13.362 1.00 27.13 ? 206 LEU A C 1 ATOM 1498 O O . LEU A 1 206 ? 37.591 80.914 12.932 1.00 29.34 ? 206 LEU A O 1 ATOM 1499 C CB . LEU A 1 206 ? 37.643 80.272 15.805 1.00 40.90 ? 206 LEU A CB 1 ATOM 1500 C CG . LEU A 1 206 ? 36.268 80.933 16.041 1.00 44.53 ? 206 LEU A CG 1 ATOM 1501 C CD1 . LEU A 1 206 ? 35.242 79.884 16.384 1.00 38.37 ? 206 LEU A CD1 1 ATOM 1502 C CD2 . LEU A 1 206 ? 36.343 81.968 17.162 1.00 30.29 ? 206 LEU A CD2 1 ATOM 1503 N N . ILE A 1 207 ? 36.370 79.028 12.760 1.00 34.14 ? 207 ILE A N 1 ATOM 1504 C CA . ILE A 1 207 ? 35.749 79.390 11.493 1.00 38.91 ? 207 ILE A CA 1 ATOM 1505 C C . ILE A 1 207 ? 34.604 80.377 11.661 1.00 38.71 ? 207 ILE A C 1 ATOM 1506 O O . ILE A 1 207 ? 34.548 81.439 11.029 1.00 32.91 ? 207 ILE A O 1 ATOM 1507 C CB . ILE A 1 207 ? 35.228 78.132 10.798 1.00 38.11 ? 207 ILE A CB 1 ATOM 1508 C CG1 . ILE A 1 207 ? 36.411 77.211 10.495 1.00 32.04 ? 207 ILE A CG1 1 ATOM 1509 C CG2 . ILE A 1 207 ? 34.458 78.499 9.524 1.00 30.74 ? 207 ILE A CG2 1 ATOM 1510 C CD1 . ILE A 1 207 ? 36.025 75.804 10.015 1.00 45.76 ? 207 ILE A CD1 1 ATOM 1511 N N . SER A 1 208 ? 33.688 80.046 12.538 1.00 34.24 ? 208 SER A N 1 ATOM 1512 C CA . SER A 1 208 ? 32.568 80.929 12.695 1.00 38.81 ? 208 SER A CA 1 ATOM 1513 C C . SER A 1 208 ? 31.917 80.752 14.027 1.00 34.65 ? 208 SER A C 1 ATOM 1514 O O . SER A 1 208 ? 32.027 79.702 14.662 1.00 34.99 ? 208 SER A O 1 ATOM 1515 C CB . SER A 1 208 ? 31.548 80.647 11.595 1.00 36.53 ? 208 SER A CB 1 ATOM 1516 O OG . SER A 1 208 ? 31.163 79.279 11.618 1.00 42.51 ? 208 SER A OG 1 ATOM 1517 N N . VAL A 1 209 ? 31.206 81.793 14.431 1.00 43.43 ? 209 VAL A N 1 ATOM 1518 C CA . VAL A 1 209 ? 30.486 81.792 15.684 1.00 39.76 ? 209 VAL A CA 1 ATOM 1519 C C . VAL A 1 209 ? 28.987 81.880 15.423 1.00 42.88 ? 209 VAL A C 1 ATOM 1520 O O . VAL A 1 209 ? 28.507 82.787 14.746 1.00 46.23 ? 209 VAL A O 1 ATOM 1521 C CB . VAL A 1 209 ? 30.886 82.993 16.541 1.00 44.26 ? 209 VAL A CB 1 ATOM 1522 C CG1 . VAL A 1 209 ? 30.092 82.976 17.828 1.00 43.25 ? 209 VAL A CG1 1 ATOM 1523 C CG2 . VAL A 1 209 ? 32.392 82.969 16.813 1.00 42.00 ? 209 VAL A CG2 1 ATOM 1524 N N . LYS A 1 210 ? 28.256 80.931 15.980 1.00 47.98 ? 210 LYS A N 1 ATOM 1525 C CA . LYS A 1 210 ? 26.802 80.882 15.884 1.00 48.48 ? 210 LYS A CA 1 ATOM 1526 C C . LYS A 1 210 ? 26.302 81.364 17.252 1.00 61.52 ? 210 LYS A C 1 ATOM 1527 O O . LYS A 1 210 ? 26.258 80.601 18.234 1.00 47.71 ? 210 LYS A O 1 ATOM 1528 C CB . LYS A 1 210 ? 26.358 79.443 15.620 1.00 58.86 ? 210 LYS A CB 1 ATOM 1529 C CG . LYS A 1 210 ? 24.899 79.259 15.290 1.00 54.53 ? 210 LYS A CG 1 ATOM 1530 C CD . LYS A 1 210 ? 24.692 77.834 14.786 1.00 73.64 ? 210 LYS A CD 1 ATOM 1531 C CE . LYS A 1 210 ? 23.261 77.340 15.010 1.00 83.04 ? 210 LYS A CE 1 ATOM 1532 N NZ . LYS A 1 210 ? 22.996 76.949 16.430 1.00 90.64 ? 210 LYS A NZ 1 ATOM 1533 N N . LYS A 1 211 ? 25.974 82.647 17.314 1.00 65.79 ? 211 LYS A N 1 ATOM 1534 C CA . LYS A 1 211 ? 25.504 83.252 18.547 1.00 76.56 ? 211 LYS A CA 1 ATOM 1535 C C . LYS A 1 211 ? 24.135 82.679 18.912 1.00 77.46 ? 211 LYS A C 1 ATOM 1536 O O . LYS A 1 211 ? 23.240 83.400 19.337 1.00 90.36 ? 211 LYS A O 1 ATOM 1537 C CB . LYS A 1 211 ? 25.437 84.781 18.381 1.00 78.98 ? 211 LYS A CB 1 ATOM 1538 C CG . LYS A 1 211 ? 25.129 85.563 19.650 1.00 76.18 ? 211 LYS A CG 1 ATOM 1539 C CD . LYS A 1 211 ? 26.267 85.478 20.666 1.00 95.83 ? 211 LYS A CD 1 ATOM 1540 C CE . LYS A 1 211 ? 25.860 86.087 22.008 1.00 90.29 ? 211 LYS A CE 1 ATOM 1541 N NZ . LYS A 1 211 ? 26.944 86.028 23.026 1.00 85.53 ? 211 LYS A NZ 1 ATOM 1542 N N . SER A 1 212 ? 23.981 81.372 18.738 1.00 80.29 ? 212 SER A N 1 ATOM 1543 C CA . SER A 1 212 ? 22.734 80.696 19.058 1.00 93.53 ? 212 SER A CA 1 ATOM 1544 C C . SER A 1 212 ? 22.638 80.476 20.564 1.00 100.38 ? 212 SER A C 1 ATOM 1545 O O . SER A 1 212 ? 21.496 80.460 21.082 1.00 100.38 ? 212 SER A O 1 ATOM 1546 C CB . SER A 1 212 ? 22.653 79.347 18.352 1.00 100.34 ? 212 SER A CB 1 ATOM 1547 O OG . SER A 1 212 ? 23.587 78.437 18.904 1.00 100.38 ? 212 SER A OG 1 HETATM 1548 ZN ZN . ZN B 2 . ? 40.392 74.969 6.566 1.00 55.30 ? 401 ZN A ZN 1 HETATM 1549 ZN ZN . ZN C 2 . ? 38.879 79.067 7.509 1.00 49.14 ? 402 ZN A ZN 1 HETATM 1550 O O . HOH D 3 . ? 37.422 80.970 7.693 1.00 24.58 ? 403 HOH A O 1 HETATM 1551 O O . HOH D 3 . ? 40.824 73.062 5.868 1.00 53.76 ? 404 HOH A O 1 HETATM 1552 O O . HOH D 3 . ? 42.647 76.345 6.358 1.00 37.54 ? 405 HOH A O 1 HETATM 1553 O O . HOH D 3 . ? 38.594 76.505 6.091 1.00 32.42 ? 406 HOH A O 1 HETATM 1554 O O . HOH D 3 . ? 43.056 82.506 31.858 1.00 30.83 ? 407 HOH A O 1 HETATM 1555 O O . HOH D 3 . ? 43.165 81.989 10.374 1.00 26.42 ? 408 HOH A O 1 HETATM 1556 O O . HOH D 3 . ? 33.633 86.135 31.504 1.00 46.65 ? 409 HOH A O 1 HETATM 1557 O O . HOH D 3 . ? 49.806 71.177 34.703 1.00 32.64 ? 410 HOH A O 1 HETATM 1558 O O . HOH D 3 . ? 44.730 66.421 29.837 1.00 38.59 ? 411 HOH A O 1 HETATM 1559 O O . HOH D 3 . ? 51.555 75.831 34.621 1.00 52.06 ? 412 HOH A O 1 HETATM 1560 O O . HOH D 3 . ? 51.327 74.762 37.485 1.00 54.34 ? 413 HOH A O 1 HETATM 1561 O O . HOH D 3 . ? 51.946 66.565 30.596 1.00 39.93 ? 414 HOH A O 1 HETATM 1562 O O . HOH D 3 . ? 50.871 68.336 32.653 1.00 34.98 ? 415 HOH A O 1 HETATM 1563 O O . HOH D 3 . ? 51.591 65.531 26.772 1.00 51.32 ? 416 HOH A O 1 HETATM 1564 O O . HOH D 3 . ? 45.128 88.274 9.768 1.00 38.47 ? 417 HOH A O 1 HETATM 1565 O O . HOH D 3 . ? 49.765 87.830 20.467 1.00 40.73 ? 418 HOH A O 1 HETATM 1566 O O . HOH D 3 . ? 47.248 88.418 21.682 1.00 41.46 ? 419 HOH A O 1 HETATM 1567 O O . HOH D 3 . ? 36.895 67.749 25.104 1.00 79.36 ? 420 HOH A O 1 HETATM 1568 O O . HOH D 3 . ? 34.772 68.255 27.674 1.00 73.19 ? 421 HOH A O 1 HETATM 1569 O O . HOH D 3 . ? 50.580 85.675 19.472 1.00 39.78 ? 422 HOH A O 1 HETATM 1570 O O . HOH D 3 . ? 51.424 78.496 31.943 1.00 32.87 ? 423 HOH A O 1 HETATM 1571 O O . HOH D 3 . ? 45.078 64.378 31.575 1.00 36.61 ? 424 HOH A O 1 HETATM 1572 O O . HOH D 3 . ? 31.807 87.221 13.287 1.00 50.46 ? 425 HOH A O 1 HETATM 1573 O O . HOH D 3 . ? 31.080 83.361 12.466 1.00 36.25 ? 426 HOH A O 1 HETATM 1574 O O . HOH D 3 . ? 40.992 91.595 8.612 1.00 46.34 ? 427 HOH A O 1 HETATM 1575 O O . HOH D 3 . ? 57.252 74.861 23.282 1.00 45.93 ? 428 HOH A O 1 HETATM 1576 O O . HOH D 3 . ? 37.160 74.283 35.353 1.00 32.83 ? 429 HOH A O 1 HETATM 1577 O O . HOH D 3 . ? 43.904 72.464 6.961 1.00 48.77 ? 430 HOH A O 1 HETATM 1578 O O . HOH D 3 . ? 40.130 78.496 33.877 1.00 35.23 ? 431 HOH A O 1 HETATM 1579 O O . HOH D 3 . ? 37.941 69.595 23.242 1.00 49.44 ? 432 HOH A O 1 HETATM 1580 O O . HOH D 3 . ? 33.633 86.202 24.456 1.00 39.06 ? 433 HOH A O 1 HETATM 1581 O O . HOH D 3 . ? 44.290 77.931 9.610 1.00 37.63 ? 434 HOH A O 1 HETATM 1582 O O . HOH D 3 . ? 40.666 70.068 9.191 1.00 43.10 ? 435 HOH A O 1 HETATM 1583 O O . HOH D 3 . ? 49.716 59.961 41.847 1.00 59.28 ? 436 HOH A O 1 HETATM 1584 O O . HOH D 3 . ? 40.955 91.224 15.471 1.00 58.38 ? 437 HOH A O 1 HETATM 1585 O O . HOH D 3 . ? 25.448 77.062 20.894 1.00 71.25 ? 438 HOH A O 1 HETATM 1586 O O . HOH D 3 . ? 39.793 83.809 28.501 1.00 31.96 ? 439 HOH A O 1 HETATM 1587 O O . HOH D 3 . ? 33.079 83.606 10.478 1.00 29.69 ? 440 HOH A O 1 HETATM 1588 O O . HOH D 3 . ? 36.372 66.610 16.400 1.00 55.22 ? 441 HOH A O 1 HETATM 1589 O O . HOH D 3 . ? 52.282 83.478 11.837 1.00 44.43 ? 442 HOH A O 1 HETATM 1590 O O . HOH D 3 . ? 42.431 86.964 29.644 1.00 35.66 ? 443 HOH A O 1 HETATM 1591 O O . HOH D 3 . ? 52.369 86.597 17.443 1.00 53.05 ? 444 HOH A O 1 HETATM 1592 O O . HOH D 3 . ? 34.462 78.816 6.380 1.00 41.37 ? 445 HOH A O 1 HETATM 1593 O O . HOH D 3 . ? 52.746 61.855 26.464 1.00 59.71 ? 446 HOH A O 1 HETATM 1594 O O . HOH D 3 . ? 33.352 86.372 10.892 1.00 35.37 ? 447 HOH A O 1 HETATM 1595 O O . HOH D 3 . ? 41.874 84.416 29.817 1.00 47.15 ? 448 HOH A O 1 HETATM 1596 O O . HOH D 3 . ? 41.848 88.298 22.162 1.00 62.94 ? 449 HOH A O 1 HETATM 1597 O O . HOH D 3 . ? 62.173 72.419 34.169 1.00 59.86 ? 450 HOH A O 1 HETATM 1598 O O . HOH D 3 . ? 51.882 62.209 43.766 1.00 71.93 ? 451 HOH A O 1 HETATM 1599 O O . HOH D 3 . ? 46.528 72.722 35.602 1.00 53.15 ? 452 HOH A O 1 HETATM 1600 O O . HOH D 3 . ? 53.821 68.859 20.192 1.00 52.14 ? 453 HOH A O 1 HETATM 1601 O O . HOH D 3 . ? 63.821 78.087 28.087 1.00 81.18 ? 454 HOH A O 1 HETATM 1602 O O . HOH D 3 . ? 48.334 51.767 34.668 1.00 56.14 ? 455 HOH A O 1 HETATM 1603 O O . HOH D 3 . ? 55.177 73.064 20.951 1.00 53.75 ? 456 HOH A O 1 HETATM 1604 O O . HOH D 3 . ? 56.667 82.465 16.154 1.00 62.14 ? 457 HOH A O 1 HETATM 1605 O O . HOH D 3 . ? 41.057 91.046 20.468 1.00 51.67 ? 458 HOH A O 1 HETATM 1606 O O . HOH D 3 . ? 45.727 67.841 36.274 1.00 48.70 ? 459 HOH A O 1 HETATM 1607 O O . HOH D 3 . ? 53.193 82.897 14.755 1.00 40.02 ? 460 HOH A O 1 HETATM 1608 O O . HOH D 3 . ? 53.967 63.689 25.279 1.00 46.76 ? 461 HOH A O 1 HETATM 1609 O O . HOH D 3 . ? 39.279 86.310 29.132 1.00 44.73 ? 462 HOH A O 1 HETATM 1610 O O . HOH D 3 . ? 61.514 74.405 31.365 1.00 55.02 ? 463 HOH A O 1 HETATM 1611 O O . HOH D 3 . ? 42.807 75.448 9.673 1.00 43.29 ? 464 HOH A O 1 HETATM 1612 O O . HOH D 3 . ? 52.436 81.361 10.338 1.00 50.25 ? 465 HOH A O 1 HETATM 1613 O O . HOH D 3 . ? 28.470 77.345 24.879 1.00 63.97 ? 466 HOH A O 1 HETATM 1614 O O . HOH D 3 . ? 57.959 74.967 26.022 1.00 58.44 ? 467 HOH A O 1 HETATM 1615 O O . HOH D 3 . ? 47.252 73.041 38.487 1.00 40.12 ? 468 HOH A O 1 HETATM 1616 O O . HOH D 3 . ? 47.646 67.486 39.957 1.00 48.78 ? 469 HOH A O 1 HETATM 1617 O O . HOH D 3 . ? 31.972 82.804 8.105 1.00 49.13 ? 470 HOH A O 1 HETATM 1618 O O . HOH D 3 . ? 31.949 90.542 12.264 1.00 55.00 ? 471 HOH A O 1 HETATM 1619 O O . HOH D 3 . ? 35.359 87.550 28.508 1.00 89.19 ? 472 HOH A O 1 HETATM 1620 O O . HOH D 3 . ? 20.797 82.467 21.364 1.00 62.89 ? 473 HOH A O 1 HETATM 1621 O O . HOH D 3 . ? 43.882 86.339 17.159 1.00 59.24 ? 474 HOH A O 1 HETATM 1622 O O . HOH D 3 . ? 53.993 64.735 28.481 1.00 60.94 ? 475 HOH A O 1 HETATM 1623 O O . HOH D 3 . ? 55.640 78.213 21.245 1.00 59.38 ? 476 HOH A O 1 HETATM 1624 O O . HOH D 3 . ? 50.671 87.290 15.343 1.00 56.11 ? 477 HOH A O 1 HETATM 1625 O O . HOH D 3 . ? 54.869 84.789 15.650 1.00 72.42 ? 478 HOH A O 1 HETATM 1626 O O . HOH D 3 . ? 30.673 85.459 27.624 1.00 54.21 ? 479 HOH A O 1 HETATM 1627 O O . HOH D 3 . ? 31.476 68.187 17.767 1.00 68.08 ? 480 HOH A O 1 HETATM 1628 O O . HOH D 3 . ? 39.684 70.685 34.528 1.00 51.90 ? 481 HOH A O 1 HETATM 1629 O O . HOH D 3 . ? 37.007 88.168 25.184 1.00 51.67 ? 482 HOH A O 1 HETATM 1630 O O . HOH D 3 . ? 48.697 70.198 17.506 1.00 55.83 ? 483 HOH A O 1 HETATM 1631 O O . HOH D 3 . ? 40.039 88.380 29.010 1.00 54.07 ? 484 HOH A O 1 HETATM 1632 O O . HOH D 3 . ? 32.480 80.154 7.061 1.00 51.69 ? 485 HOH A O 1 HETATM 1633 O O . HOH D 3 . ? 27.390 83.407 25.348 1.00 64.55 ? 486 HOH A O 1 HETATM 1634 O O . HOH D 3 . ? 46.577 88.573 31.612 1.00 59.43 ? 487 HOH A O 1 HETATM 1635 O O . HOH D 3 . ? 52.836 86.555 28.788 1.00 68.72 ? 488 HOH A O 1 HETATM 1636 O O . HOH D 3 . ? 45.679 74.068 7.065 1.00 55.26 ? 489 HOH A O 1 HETATM 1637 O O . HOH D 3 . ? 43.864 88.370 31.211 1.00 52.37 ? 490 HOH A O 1 HETATM 1638 O O . HOH D 3 . ? 39.098 74.033 35.253 1.00 34.68 ? 491 HOH A O 1 HETATM 1639 O O . HOH D 3 . ? 37.449 72.276 35.312 1.00 44.92 ? 492 HOH A O 1 HETATM 1640 O O . HOH D 3 . ? 35.690 87.273 31.833 1.00 44.28 ? 493 HOH A O 1 HETATM 1641 O O . HOH D 3 . ? 49.294 85.527 33.313 1.00 85.97 ? 494 HOH A O 1 HETATM 1642 O O . HOH D 3 . ? 36.742 90.547 17.562 1.00 46.49 ? 495 HOH A O 1 HETATM 1643 O O . HOH D 3 . ? 33.201 86.038 27.015 1.00 45.10 ? 496 HOH A O 1 HETATM 1644 O O . HOH D 3 . ? 34.224 88.907 10.081 1.00 54.35 ? 497 HOH A O 1 HETATM 1645 O O . HOH D 3 . ? 55.640 75.692 19.709 1.00 68.14 ? 498 HOH A O 1 # If you find results from this site helpful for your research, please cite one of our papers:
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