data_3QLP # _entry.id 3QLP # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3QLP NDB NA0972 RCSB RCSB063802 WWPDB D_1000063802 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3QLP _pdbx_database_status.recvd_initial_deposition_date 2011-02-03 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Russo Krauss, I.' 1 'Merlino, A.' 2 'Mazzarella, L.' 3 'Sica, F.' 4 # _citation.id primary _citation.title 'Thrombin-aptamer recognition: a revealed ambiguity.' _citation.journal_abbrev 'Nucleic Acids Res.' _citation.journal_volume 39 _citation.page_first 7858 _citation.page_last 7867 _citation.year 2011 _citation.journal_id_ASTM NARHAD _citation.country UK _citation.journal_id_ISSN 0305-1048 _citation.journal_id_CSD 0389 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 21715374 _citation.pdbx_database_id_DOI 10.1093/nar/gkr522 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Russo Krauss, I.' 1 primary 'Merlino, A.' 2 primary 'Giancola, C.' 3 primary 'Randazzo, A.' 4 primary 'Mazzarella, L.' 5 primary 'Sica, F.' 6 # _cell.entry_id 3QLP _cell.length_a 68.208 _cell.length_b 110.574 _cell.length_c 120.916 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3QLP _symmetry.space_group_name_H-M 'I 2 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 23 _symmetry.space_group_name_Hall ? # 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 'Thrombin heavy chain' 29780.219 1 3.4.21.5 ? ? ? 2 polymer man 'Thrombin light chain' 4096.534 1 3.4.21.5 ? ? ? 3 polymer syn 'modified thrombin binding DNA aptamer' 4743.051 1 ? ? ? ? 4 non-polymer syn 'D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide' 453.986 1 ? ? ? ? 5 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 6 non-polymer syn 'SODIUM ION' 22.990 1 ? ? ? ? 7 non-polymer syn 'POTASSIUM ION' 39.098 1 ? ? ? ? 8 water nat water 18.015 251 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; H ? 2 'polypeptide(L)' no no TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR L ? 3 polydeoxyribonucleotide no no '(DG)(DG)(DT)(DT)(DG)(DG)(DT)(DG)(DT)(DG)(DG)(DT)(DT)(DG)(DG)' GGTTGGTGTGGTTGG D ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ILE n 1 2 VAL n 1 3 GLU n 1 4 GLY n 1 5 SER n 1 6 ASP n 1 7 ALA n 1 8 GLU n 1 9 ILE n 1 10 GLY n 1 11 MET n 1 12 SER n 1 13 PRO n 1 14 TRP n 1 15 GLN n 1 16 VAL n 1 17 MET n 1 18 LEU n 1 19 PHE n 1 20 ARG n 1 21 LYS n 1 22 SER n 1 23 PRO n 1 24 GLN n 1 25 GLU n 1 26 LEU n 1 27 LEU n 1 28 CYS n 1 29 GLY n 1 30 ALA n 1 31 SER n 1 32 LEU n 1 33 ILE n 1 34 SER n 1 35 ASP n 1 36 ARG n 1 37 TRP n 1 38 VAL n 1 39 LEU n 1 40 THR n 1 41 ALA n 1 42 ALA n 1 43 HIS n 1 44 CYS n 1 45 LEU n 1 46 LEU n 1 47 TYR n 1 48 PRO n 1 49 PRO n 1 50 TRP n 1 51 ASP n 1 52 LYS n 1 53 ASN n 1 54 PHE n 1 55 THR n 1 56 GLU n 1 57 ASN n 1 58 ASP n 1 59 LEU n 1 60 LEU n 1 61 VAL n 1 62 ARG n 1 63 ILE n 1 64 GLY n 1 65 LYS n 1 66 HIS n 1 67 SER n 1 68 ARG n 1 69 THR n 1 70 ARG n 1 71 TYR n 1 72 GLU n 1 73 ARG n 1 74 ASN n 1 75 ILE n 1 76 GLU n 1 77 LYS n 1 78 ILE n 1 79 SER n 1 80 MET n 1 81 LEU n 1 82 GLU n 1 83 LYS n 1 84 ILE n 1 85 TYR n 1 86 ILE n 1 87 HIS n 1 88 PRO n 1 89 ARG n 1 90 TYR n 1 91 ASN n 1 92 TRP n 1 93 ARG n 1 94 GLU n 1 95 ASN n 1 96 LEU n 1 97 ASP n 1 98 ARG n 1 99 ASP n 1 100 ILE n 1 101 ALA n 1 102 LEU n 1 103 MET n 1 104 LYS n 1 105 LEU n 1 106 LYS n 1 107 LYS n 1 108 PRO n 1 109 VAL n 1 110 ALA n 1 111 PHE n 1 112 SER n 1 113 ASP n 1 114 TYR n 1 115 ILE n 1 116 HIS n 1 117 PRO n 1 118 VAL n 1 119 CYS n 1 120 LEU n 1 121 PRO n 1 122 ASP n 1 123 ARG n 1 124 GLU n 1 125 THR n 1 126 ALA n 1 127 ALA n 1 128 SER n 1 129 LEU n 1 130 LEU n 1 131 GLN n 1 132 ALA n 1 133 GLY n 1 134 TYR n 1 135 LYS n 1 136 GLY n 1 137 ARG n 1 138 VAL n 1 139 THR n 1 140 GLY n 1 141 TRP n 1 142 GLY n 1 143 ASN n 1 144 LEU n 1 145 LYS n 1 146 GLU n 1 147 THR n 1 148 TRP n 1 149 THR n 1 150 ALA n 1 151 ASN n 1 152 VAL n 1 153 GLY n 1 154 LYS n 1 155 GLY n 1 156 GLN n 1 157 PRO n 1 158 SER n 1 159 VAL n 1 160 LEU n 1 161 GLN n 1 162 VAL n 1 163 VAL n 1 164 ASN n 1 165 LEU n 1 166 PRO n 1 167 ILE n 1 168 VAL n 1 169 GLU n 1 170 ARG n 1 171 PRO n 1 172 VAL n 1 173 CYS n 1 174 LYS n 1 175 ASP n 1 176 SER n 1 177 THR n 1 178 ARG n 1 179 ILE n 1 180 ARG n 1 181 ILE n 1 182 THR n 1 183 ASP n 1 184 ASN n 1 185 MET n 1 186 PHE n 1 187 CYS n 1 188 ALA n 1 189 GLY n 1 190 TYR n 1 191 LYS n 1 192 PRO n 1 193 ASP n 1 194 GLU n 1 195 GLY n 1 196 LYS n 1 197 ARG n 1 198 GLY n 1 199 ASP n 1 200 ALA n 1 201 CYS n 1 202 GLU n 1 203 GLY n 1 204 ASP n 1 205 SER n 1 206 GLY n 1 207 GLY n 1 208 PRO n 1 209 PHE n 1 210 VAL n 1 211 MET n 1 212 LYS n 1 213 SER n 1 214 PRO n 1 215 PHE n 1 216 ASN n 1 217 ASN n 1 218 ARG n 1 219 TRP n 1 220 TYR n 1 221 GLN n 1 222 MET n 1 223 GLY n 1 224 ILE n 1 225 VAL n 1 226 SER n 1 227 TRP n 1 228 GLY n 1 229 GLU n 1 230 GLY n 1 231 CYS n 1 232 ASP n 1 233 ARG n 1 234 ASP n 1 235 GLY n 1 236 LYS n 1 237 TYR n 1 238 GLY n 1 239 PHE n 1 240 TYR n 1 241 THR n 1 242 HIS n 1 243 VAL n 1 244 PHE n 1 245 ARG n 1 246 LEU n 1 247 LYS n 1 248 LYS n 1 249 TRP n 1 250 ILE n 1 251 GLN n 1 252 LYS n 1 253 VAL n 1 254 ILE n 1 255 ASP n 1 256 GLN n 1 257 PHE n 1 258 GLY n 1 259 GLU n 2 1 THR n 2 2 PHE n 2 3 GLY n 2 4 SER n 2 5 GLY n 2 6 GLU n 2 7 ALA n 2 8 ASP n 2 9 CYS n 2 10 GLY n 2 11 LEU n 2 12 ARG n 2 13 PRO n 2 14 LEU n 2 15 PHE n 2 16 GLU n 2 17 LYS n 2 18 LYS n 2 19 SER n 2 20 LEU n 2 21 GLU n 2 22 ASP n 2 23 LYS n 2 24 THR n 2 25 GLU n 2 26 ARG n 2 27 GLU n 2 28 LEU n 2 29 LEU n 2 30 GLU n 2 31 SER n 2 32 TYR n 2 33 ILE n 2 34 ASP n 2 35 GLY n 2 36 ARG n 3 1 DG n 3 2 DG n 3 3 DT n 3 4 DT n 3 5 DG n 3 6 DG n 3 7 DT n 3 8 DG n 3 9 DT n 3 10 DG n 3 11 DG n 3 12 DT n 3 13 DT n 3 14 DG n 3 15 DG n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _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 _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 _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _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 _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _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 _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? ? ? human ? F2 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample ? ? ? human ? F2 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP THRB_HUMAN P00734 1 ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; 364 ? 2 UNP THRB_HUMAN P00734 2 TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR 328 ? 3 PDB 3QLP 3QLP 3 ? ? ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3QLP H 1 ? 259 ? P00734 364 ? 622 ? 16 247 2 2 3QLP L 1 H 36 ? P00734 328 ? 363 ? 1 16 3 3 3QLP D 1 ? 15 ? 3QLP 1 ? 15 ? 1 15 # 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 0G6 peptide-like . 'D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide' PPACK 'C21 H34 Cl N6 O3 1' 453.986 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 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221 DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208 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 K non-polymer . 'POTASSIUM ION' ? 'K 1' 39.098 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 NA non-polymer . 'SODIUM ION' ? 'Na 1' 22.990 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 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 # _exptl.entry_id 3QLP _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.95 _exptl_crystal.density_percent_sol 58.33 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.8 _exptl_crystal_grow.pdbx_details ;20% w/v PEG 20000, 0.2M ammonium sulfate, 3% n-propanol, 0.1 M sodium acetate pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K ; _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'RIGAKU SATURN 944+' _diffrn_detector.pdbx_collection_date 2009-04-07 _diffrn_detector.details mirrors # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator GRAPHITE _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU MICROMAX-007 HF' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.5418 # _reflns.entry_id 3QLP _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 25.1 _reflns.d_resolution_high 2.14 _reflns.number_obs 23642 _reflns.number_all 25096 _reflns.percent_possible_obs 93.0 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _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_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.14 _reflns_shell.d_res_low 2.23 _reflns_shell.percent_possible_all 93.2 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.number_possible ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.meanI_over_sigI_all ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3QLP _refine.ls_number_reflns_obs 23642 _refine.ls_number_reflns_all 25096 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 25.1 _refine.ls_d_res_high 2.14 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs 0.186 _refine.ls_R_factor_all 0.204 _refine.ls_R_factor_R_work 0.183 _refine.ls_R_factor_R_free 0.237 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free 945 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _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_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2364 _refine_hist.pdbx_number_atoms_nucleic_acid 306 _refine_hist.pdbx_number_atoms_ligand 46 _refine_hist.number_atoms_solvent 251 _refine_hist.number_atoms_total 2967 _refine_hist.d_res_high 2.14 _refine_hist.d_res_low 25.1 # _struct.entry_id 3QLP _struct.title 'X-ray structure of the complex between human alpha thrombin and a modified thrombin binding aptamer (mTBA)' _struct.pdbx_descriptor 'Thrombin heavy chain (E.C.3.4.21.5), Thrombin light chain (E.C.3.4.21.5), DNA' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3QLP _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR/DNA' _struct_keywords.text 'PROTEIN-DNA COMPLEX, SERINE PROTEASE, BLOOD COAGULATION, aptamer, serine protease fold, HYDROLASE-HYDROLASE INHIBITOR-DNA complex' # 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 3 ? D N N 4 ? E N N 5 ? F N N 6 ? G N N 7 ? H N N 8 ? I N N 8 ? J N N 8 ? # _struct_biol.id 1 _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 ALA A 41 ? CYS A 44 ? ALA H 55 CYS H 58 5 ? 4 HELX_P HELX_P2 2 PRO A 48 B ASP A 51 E PRO H 60 ASP H 60 5 ? 4 HELX_P HELX_P3 3 THR A 55 I ASN A 57 ? THR H 60 ASN H 62 5 ? 3 HELX_P HELX_P4 4 ASP A 122 ? LEU A 130 ? ASP H 125 LEU H 130 1 ? 9 HELX_P HELX_P5 5 GLU A 169 ? SER A 176 ? GLU H 164 SER H 171 1 ? 8 HELX_P HELX_P6 6 LYS A 191 ? GLY A 195 C LYS H 185 GLY H 186 5 ? 5 HELX_P HELX_P7 7 LEU A 246 ? ASP A 255 ? LEU H 234 ASP H 243 1 ? 10 HELX_P HELX_P8 8 PHE B 15 ? SER B 19 ? PHE L 7 SER L 11 5 ? 5 HELX_P HELX_P9 9 THR B 24 B TYR B 32 J THR L 14 TYR L 14 1 ? 9 # _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 disulf1 disulf ? ? A CYS 28 SG ? ? ? 1_555 A CYS 44 SG ? ? H CYS 42 H CYS 58 1_555 ? ? ? ? ? ? ? 2.062 ? disulf2 disulf ? ? A CYS 119 SG ? ? ? 1_555 B CYS 9 SG ? ? H CYS 122 L CYS 1 1_555 ? ? ? ? ? ? ? 2.050 ? disulf3 disulf ? ? A CYS 173 SG ? ? ? 1_555 A CYS 187 SG ? ? H CYS 168 H CYS 182 1_555 ? ? ? ? ? ? ? 2.045 ? disulf4 disulf ? ? A CYS 201 SG ? ? ? 1_555 A CYS 231 SG ? ? H CYS 191 H CYS 220 1_555 ? ? ? ? ? ? ? 2.074 ? covale1 covale ? ? C DG 1 P ? ? ? 1_555 C DG 2 "O3'" ? ? D DG 1 D DG 2 1_555 ? ? ? ? ? ? ? 1.581 ? covale2 covale ? ? C DG 2 P ? ? ? 1_555 C DT 3 "O3'" ? ? D DG 2 D DT 3 1_555 ? ? ? ? ? ? ? 1.604 ? covale3 covale ? ? C DT 3 "O5'" ? ? ? 1_555 C DT 4 P ? ? D DT 3 D DT 4 1_555 ? ? ? ? ? ? ? 1.610 ? covale4 covale ? ? A SER 205 OG ? ? ? 1_555 D 0G6 . C2 ? ? H SER 195 H 0G6 1 1_555 ? ? ? ? ? ? ? 1.436 ? covale5 covale ? ? A HIS 43 NE2 ? ? ? 1_555 D 0G6 . C3 ? ? H HIS 57 H 0G6 1 1_555 ? ? ? ? ? ? ? 1.473 ? covale6 covale ? ? A ASN 53 ND2 ? G ? 1_555 E NAG . C1 ? ? H ASN 60 H NAG 248 1_555 ? ? ? ? ? ? ? 1.449 ? metalc1 metalc ? ? F NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 601 H HOH 1085 1_555 ? ? ? ? ? ? ? 2.248 ? metalc2 metalc ? ? A ARG 233 O ? ? ? 1_555 F NA . NA ? ? H ARG 221 H NA 601 1_555 ? ? ? ? ? ? ? 2.301 ? metalc3 metalc ? ? F NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 601 H HOH 1232 1_555 ? ? ? ? ? ? ? 2.328 ? metalc4 metalc ? ? F NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 601 H HOH 1042 1_555 ? ? ? ? ? ? ? 2.547 ? metalc5 metalc ? ? A LYS 236 O ? ? ? 1_555 F NA . NA ? ? H LYS 224 H NA 601 1_555 ? ? ? ? ? ? ? 2.658 ? metalc6 metalc ? ? C DG 10 O6 ? ? ? 1_555 G K . K ? ? D DG 10 D K 602 1_555 ? ? ? ? ? ? ? 2.694 ? metalc7 metalc ? ? C DG 2 O6 ? ? ? 1_555 G K . K ? ? D DG 2 D K 602 1_555 ? ? ? ? ? ? ? 2.723 ? metalc8 metalc ? ? C DG 15 O6 ? ? ? 1_555 G K . K ? ? D DG 15 D K 602 1_555 ? ? ? ? ? ? ? 2.813 ? metalc9 metalc ? ? C DG 14 O6 ? ? ? 1_555 G K . K ? ? D DG 14 D K 602 1_555 ? ? ? ? ? ? ? 2.839 ? metalc10 metalc ? ? C DG 6 O6 ? ? ? 1_555 G K . K ? ? D DG 6 D K 602 1_555 ? ? ? ? ? ? ? 2.868 ? metalc11 metalc ? ? C DG 5 O6 ? ? ? 1_555 G K . K ? ? D DG 5 D K 602 1_555 ? ? ? ? ? ? ? 2.877 ? metalc12 metalc ? ? C DG 1 O6 ? ? ? 1_555 G K . K ? ? D DG 1 D K 602 1_555 ? ? ? ? ? ? ? 2.883 ? metalc13 metalc ? ? C DG 11 O6 ? ? ? 1_555 G K . K ? ? D DG 11 D K 602 1_555 ? ? ? ? ? ? ? 2.906 ? metalc14 metalc ? ? F NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 601 H HOH 1053 1_555 ? ? ? ? ? ? ? 3.055 ? hydrog1 hydrog ? ? C DG 1 N1 ? ? ? 1_555 C DG 6 O6 ? ? D DG 1 D DG 6 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog2 hydrog ? ? C DG 1 N2 ? ? ? 1_555 C DG 6 N7 ? ? D DG 1 D DG 6 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog3 hydrog ? ? C DG 1 N7 ? ? ? 1_555 C DG 15 N2 ? ? D DG 1 D DG 15 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog4 hydrog ? ? C DG 1 O6 ? ? ? 1_555 C DG 15 N1 ? ? D DG 1 D DG 15 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog5 hydrog ? ? C DG 2 N7 ? ? ? 1_555 C DG 5 N2 ? ? D DG 2 D DG 5 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog6 hydrog ? ? C DG 2 O6 ? ? ? 1_555 C DG 5 N1 ? ? D DG 2 D DG 5 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog7 hydrog ? ? C DG 2 N1 ? ? ? 1_555 C DG 14 O6 ? ? D DG 2 D DG 14 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog8 hydrog ? ? C DG 2 N2 ? ? ? 1_555 C DG 14 N7 ? ? D DG 2 D DG 14 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog9 hydrog ? ? C DT 4 O2 ? ? ? 1_555 C DG 5 N1 ? ? D DT 4 D DG 5 1_555 ? ? ? ? ? ? 'DT-DG MISPAIR' ? ? hydrog10 hydrog ? ? C DG 5 N7 ? ? ? 1_555 C DG 11 N2 ? ? D DG 5 D DG 11 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog11 hydrog ? ? C DG 5 O6 ? ? ? 1_555 C DG 11 N1 ? ? D DG 5 D DG 11 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog12 hydrog ? ? C DG 6 N1 ? ? ? 1_555 C DG 10 O6 ? ? D DG 6 D DG 10 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog13 hydrog ? ? C DG 6 N2 ? ? ? 1_555 C DG 10 N7 ? ? D DG 6 D DG 10 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog14 hydrog ? ? C DG 8 N2 ? ? ? 1_555 C DG 10 O6 ? ? D DG 8 D DG 10 1_555 ? ? ? ? ? ? 'DG-DG MISPAIR' ? ? hydrog15 hydrog ? ? C DG 10 N1 ? ? ? 1_555 C DG 15 O6 ? ? D DG 10 D DG 15 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog16 hydrog ? ? C DG 10 N2 ? ? ? 1_555 C DG 15 N7 ? ? D DG 10 D DG 15 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog17 hydrog ? ? C DG 11 N7 ? ? ? 1_555 C DG 14 N2 ? ? D DG 11 D DG 14 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog18 hydrog ? ? C DG 11 O6 ? ? ? 1_555 C DG 14 N1 ? ? D DG 11 D DG 14 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? hydrog ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id SER _struct_mon_prot_cis.label_seq_id 22 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code A _struct_mon_prot_cis.auth_comp_id SER _struct_mon_prot_cis.auth_seq_id 36 _struct_mon_prot_cis.auth_asym_id H _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 23 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 37 _struct_mon_prot_cis.pdbx_auth_asym_id_2 H _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -0.59 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 7 ? B ? 7 ? C ? 2 ? # 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 A 6 7 ? 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 B 6 7 ? anti-parallel C 1 2 ? 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 SER A 5 ? ASP A 6 ? SER H 20 ASP H 21 A 2 GLN A 161 ? PRO A 166 ? GLN H 156 PRO H 161 A 3 LYS A 135 ? GLY A 140 ? LYS H 135 GLY H 140 A 4 PRO A 208 ? LYS A 212 ? PRO H 198 LYS H 202 A 5 TRP A 219 ? TRP A 227 ? TRP H 207 TRP H 215 A 6 GLY A 238 ? HIS A 242 ? GLY H 226 HIS H 230 A 7 MET A 185 ? ALA A 188 ? MET H 180 ALA H 183 B 1 LYS A 77 ? SER A 79 ? LYS H 81 SER H 83 B 2 LEU A 59 ? ILE A 63 ? LEU H 64 ILE H 68 B 3 GLN A 15 ? ARG A 20 ? GLN H 30 ARG H 35 B 4 GLU A 25 ? LEU A 32 ? GLU H 39 LEU H 46 B 5 TRP A 37 ? THR A 40 ? TRP H 51 THR H 54 B 6 ALA A 101 ? LEU A 105 ? ALA H 104 LEU H 108 B 7 LEU A 81 ? ILE A 86 ? LEU H 85 ILE H 90 C 1 LEU A 46 ? TYR A 47 A LEU H 60 TYR H 60 C 2 LYS A 52 F ASN A 53 G LYS H 60 ASN H 60 # 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 SER A 5 ? N SER H 20 O VAL A 162 ? O VAL H 157 A 2 3 O LEU A 165 ? O LEU H 160 N GLY A 136 ? N GLY H 136 A 3 4 N ARG A 137 ? N ARG H 137 O VAL A 210 ? O VAL H 200 A 4 5 N MET A 211 ? N MET H 201 O TYR A 220 ? O TYR H 208 A 5 6 N TRP A 227 ? N TRP H 215 O PHE A 239 ? O PHE H 227 A 6 7 O TYR A 240 ? O TYR H 228 N PHE A 186 ? N PHE H 181 B 1 2 O LYS A 77 ? O LYS H 81 N ILE A 63 ? N ILE H 68 B 2 3 O LEU A 60 ? O LEU H 65 N PHE A 19 ? N PHE H 34 B 3 4 N ARG A 20 ? N ARG H 35 O GLU A 25 ? O GLU H 39 B 4 5 N SER A 31 ? N SER H 45 O LEU A 39 ? O LEU H 53 B 5 6 N VAL A 38 ? N VAL H 52 O MET A 103 ? O MET H 106 B 6 7 O LYS A 104 ? O LYS H 107 N GLU A 82 ? N GLU H 86 C 1 2 N TYR A 47 A N TYR H 60 O LYS A 52 F O LYS H 60 # 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 ? ? ? ? 16 'BINDING SITE FOR RESIDUE 0G6 H 1' AC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG H 248' AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NA H 601' AC4 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE K D 602' # 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 16 HIS A 43 ? HIS H 57 . ? 1_555 ? 2 AC1 16 ILE A 179 ? ILE H 174 . ? 1_555 ? 3 AC1 16 ASP A 199 ? ASP H 189 . ? 1_555 ? 4 AC1 16 ALA A 200 ? ALA H 190 . ? 1_555 ? 5 AC1 16 GLY A 203 ? GLY H 193 . ? 1_555 ? 6 AC1 16 SER A 205 ? SER H 195 . ? 1_555 ? 7 AC1 16 SER A 226 ? SER H 214 . ? 1_555 ? 8 AC1 16 TRP A 227 ? TRP H 215 . ? 1_555 ? 9 AC1 16 GLY A 228 ? GLY H 216 . ? 1_555 ? 10 AC1 16 GLY A 230 ? GLY H 219 . ? 1_555 ? 11 AC1 16 GLY A 238 ? GLY H 226 . ? 1_555 ? 12 AC1 16 ASP A 255 ? ASP H 243 . ? 8_455 ? 13 AC1 16 GLN A 256 ? GLN H 244 . ? 8_455 ? 14 AC1 16 HOH H . ? HOH H 1019 . ? 1_555 ? 15 AC1 16 HOH H . ? HOH H 1080 . ? 1_555 ? 16 AC1 16 HOH H . ? HOH H 1097 . ? 1_555 ? 17 AC2 1 ASN A 53 G ASN H 60 . ? 1_555 ? 18 AC3 6 ARG A 233 ? ARG H 221 . ? 1_555 ? 19 AC3 6 LYS A 236 ? LYS H 224 . ? 1_555 ? 20 AC3 6 HOH H . ? HOH H 1042 . ? 1_555 ? 21 AC3 6 HOH H . ? HOH H 1053 . ? 1_555 ? 22 AC3 6 HOH H . ? HOH H 1085 . ? 1_555 ? 23 AC3 6 HOH H . ? HOH H 1232 . ? 1_555 ? 24 AC4 9 DG C 1 ? DG D 1 . ? 1_555 ? 25 AC4 9 DG C 2 ? DG D 2 . ? 1_555 ? 26 AC4 9 DG C 5 ? DG D 5 . ? 1_555 ? 27 AC4 9 DG C 6 ? DG D 6 . ? 1_555 ? 28 AC4 9 DG C 8 ? DG D 8 . ? 1_555 ? 29 AC4 9 DG C 10 ? DG D 10 . ? 1_555 ? 30 AC4 9 DG C 11 ? DG D 11 . ? 1_555 ? 31 AC4 9 DG C 14 ? DG D 14 . ? 1_555 ? 32 AC4 9 DG C 15 ? DG D 15 . ? 1_555 ? # _database_PDB_matrix.entry_id 3QLP _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 # _atom_sites.entry_id 3QLP _atom_sites.fract_transf_matrix[1][1] 0.014661 _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] 0.009044 _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] 0.008270 _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 K N NA O P S # 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 . ILE A 1 1 ? 13.088 19.065 17.746 1.00 9.91 ? 16 ILE H N 1 ATOM 2 C CA . ILE A 1 1 ? 13.540 19.490 16.394 1.00 11.19 ? 16 ILE H CA 1 ATOM 3 C C . ILE A 1 1 ? 12.312 19.538 15.492 1.00 13.27 ? 16 ILE H C 1 ATOM 4 O O . ILE A 1 1 ? 11.547 18.577 15.395 1.00 13.88 ? 16 ILE H O 1 ATOM 5 C CB . ILE A 1 1 ? 14.516 18.495 15.783 1.00 10.76 ? 16 ILE H CB 1 ATOM 6 C CG1 . ILE A 1 1 ? 15.722 18.261 16.713 1.00 9.39 ? 16 ILE H CG1 1 ATOM 7 C CG2 . ILE A 1 1 ? 14.862 18.981 14.385 1.00 10.85 ? 16 ILE H CG2 1 ATOM 8 C CD1 . ILE A 1 1 ? 16.631 19.570 16.922 1.00 12.22 ? 16 ILE H CD1 1 ATOM 9 N N . VAL A 1 2 ? 12.130 20.659 14.809 1.00 14.65 ? 17 VAL H N 1 ATOM 10 C CA . VAL A 1 2 ? 10.978 20.829 13.946 1.00 14.30 ? 17 VAL H CA 1 ATOM 11 C C . VAL A 1 2 ? 11.409 20.673 12.524 1.00 15.18 ? 17 VAL H C 1 ATOM 12 O O . VAL A 1 2 ? 12.351 21.317 12.123 1.00 16.68 ? 17 VAL H O 1 ATOM 13 C CB . VAL A 1 2 ? 10.351 22.234 14.166 1.00 15.58 ? 17 VAL H CB 1 ATOM 14 C CG1 . VAL A 1 2 ? 9.125 22.475 13.249 1.00 12.46 ? 17 VAL H CG1 1 ATOM 15 C CG2 . VAL A 1 2 ? 9.986 22.344 15.645 1.00 15.09 ? 17 VAL H CG2 1 ATOM 16 N N . GLU A 1 3 ? 10.702 19.817 11.788 1.00 15.19 ? 18 GLU H N 1 ATOM 17 C CA . GLU A 1 3 ? 10.948 19.548 10.386 1.00 16.07 ? 18 GLU H CA 1 ATOM 18 C C . GLU A 1 3 ? 12.308 18.887 10.135 1.00 15.96 ? 18 GLU H C 1 ATOM 19 O O . GLU A 1 3 ? 12.991 19.236 9.210 1.00 15.76 ? 18 GLU H O 1 ATOM 20 C CB . GLU A 1 3 ? 10.810 20.847 9.591 1.00 17.60 ? 18 GLU H CB 1 ATOM 21 C CG . GLU A 1 3 ? 9.389 21.428 9.595 1.00 21.08 ? 18 GLU H CG 1 ATOM 22 C CD . GLU A 1 3 ? 8.431 20.583 8.726 1.00 25.63 ? 18 GLU H CD 1 ATOM 23 O OE1 . GLU A 1 3 ? 8.945 19.865 7.866 1.00 27.03 ? 18 GLU H OE1 1 ATOM 24 O OE2 . GLU A 1 3 ? 7.182 20.630 8.875 1.00 25.96 ? 18 GLU H OE2 1 ATOM 25 N N . GLY A 1 4 ? 12.699 17.946 10.987 1.00 14.73 ? 19 GLY H N 1 ATOM 26 C CA . GLY A 1 4 ? 13.950 17.250 10.779 1.00 14.80 ? 19 GLY H CA 1 ATOM 27 C C . GLY A 1 4 ? 13.537 15.826 10.477 1.00 14.78 ? 19 GLY H C 1 ATOM 28 O O . GLY A 1 4 ? 12.399 15.599 10.090 1.00 14.37 ? 19 GLY H O 1 ATOM 29 N N . SER A 1 5 ? 14.411 14.856 10.648 1.00 14.56 ? 20 SER H N 1 ATOM 30 C CA . SER A 1 5 ? 13.995 13.481 10.412 1.00 17.92 ? 20 SER H CA 1 ATOM 31 C C . SER A 1 5 ? 14.586 12.556 11.449 1.00 17.07 ? 20 SER H C 1 ATOM 32 O O . SER A 1 5 ? 15.336 13.011 12.333 1.00 17.30 ? 20 SER H O 1 ATOM 33 C CB . SER A 1 5 ? 14.381 13.016 8.994 1.00 20.91 ? 20 SER H CB 1 ATOM 34 O OG . SER A 1 5 ? 15.714 13.373 8.682 1.00 26.05 ? 20 SER H OG 1 ATOM 35 N N . ASP A 1 6 ? 14.207 11.280 11.395 1.00 14.89 ? 21 ASP H N 1 ATOM 36 C CA . ASP A 1 6 ? 14.788 10.349 12.333 1.00 16.23 ? 21 ASP H CA 1 ATOM 37 C C . ASP A 1 6 ? 16.284 10.242 12.027 1.00 16.18 ? 21 ASP H C 1 ATOM 38 O O . ASP A 1 6 ? 16.669 10.147 10.880 1.00 16.50 ? 21 ASP H O 1 ATOM 39 C CB . ASP A 1 6 ? 14.203 8.961 12.184 1.00 14.35 ? 21 ASP H CB 1 ATOM 40 C CG . ASP A 1 6 ? 12.734 8.933 12.469 1.00 16.59 ? 21 ASP H CG 1 ATOM 41 O OD1 . ASP A 1 6 ? 12.207 9.938 12.980 1.00 13.12 ? 21 ASP H OD1 1 ATOM 42 O OD2 . ASP A 1 6 ? 12.113 7.885 12.193 1.00 17.75 ? 21 ASP H OD2 1 ATOM 43 N N . ALA A 1 7 ? 17.107 10.287 13.061 1.00 16.36 ? 22 ALA H N 1 ATOM 44 C CA . ALA A 1 7 ? 18.540 10.122 12.906 1.00 17.40 ? 22 ALA H CA 1 ATOM 45 C C . ALA A 1 7 ? 18.850 8.645 12.689 1.00 17.01 ? 22 ALA H C 1 ATOM 46 O O . ALA A 1 7 ? 18.176 7.759 13.227 1.00 18.33 ? 22 ALA H O 1 ATOM 47 C CB . ALA A 1 7 ? 19.240 10.573 14.142 1.00 18.87 ? 22 ALA H CB 1 ATOM 48 N N . GLU A 1 8 ? 19.870 8.384 11.901 1.00 17.22 ? 23 GLU H N 1 ATOM 49 C CA . GLU A 1 8 ? 20.321 7.012 11.675 1.00 17.55 ? 23 GLU H CA 1 ATOM 50 C C . GLU A 1 8 ? 21.089 6.602 12.938 1.00 18.06 ? 23 GLU H C 1 ATOM 51 O O . GLU A 1 8 ? 21.750 7.443 13.587 1.00 16.49 ? 23 GLU H O 1 ATOM 52 C CB . GLU A 1 8 ? 21.310 6.938 10.500 1.00 18.27 ? 23 GLU H CB 1 ATOM 53 C CG . GLU A 1 8 ? 20.753 7.139 9.080 1.00 21.53 ? 23 GLU H CG 1 ATOM 54 C CD . GLU A 1 8 ? 21.905 7.375 8.063 1.00 25.66 ? 23 GLU H CD 1 ATOM 55 O OE1 . GLU A 1 8 ? 22.238 8.566 7.765 1.00 23.93 ? 23 GLU H OE1 1 ATOM 56 O OE2 . GLU A 1 8 ? 22.501 6.362 7.587 1.00 25.78 ? 23 GLU H OE2 1 ATOM 57 N N . ILE A 1 9 ? 21.029 5.326 13.296 1.00 17.95 ? 24 ILE H N 1 ATOM 58 C CA . ILE A 1 9 ? 21.793 4.829 14.464 1.00 17.70 ? 24 ILE H CA 1 ATOM 59 C C . ILE A 1 9 ? 23.290 5.146 14.282 1.00 16.26 ? 24 ILE H C 1 ATOM 60 O O . ILE A 1 9 ? 23.814 5.090 13.157 1.00 16.50 ? 24 ILE H O 1 ATOM 61 C CB . ILE A 1 9 ? 21.521 3.297 14.658 1.00 18.55 ? 24 ILE H CB 1 ATOM 62 C CG1 . ILE A 1 9 ? 20.169 3.187 15.375 1.00 20.30 ? 24 ILE H CG1 1 ATOM 63 C CG2 . ILE A 1 9 ? 22.640 2.608 15.442 1.00 16.18 ? 24 ILE H CG2 1 ATOM 64 C CD1 . ILE A 1 9 ? 19.430 1.983 15.034 1.00 25.70 ? 24 ILE H CD1 1 ATOM 65 N N . GLY A 1 10 ? 23.952 5.530 15.373 1.00 14.53 ? 25 GLY H N 1 ATOM 66 C CA . GLY A 1 10 ? 25.367 5.884 15.299 1.00 13.75 ? 25 GLY H CA 1 ATOM 67 C C . GLY A 1 10 ? 25.713 7.193 14.583 1.00 12.83 ? 25 GLY H C 1 ATOM 68 O O . GLY A 1 10 ? 26.879 7.599 14.465 1.00 12.20 ? 25 GLY H O 1 ATOM 69 N N . MET A 1 11 ? 24.685 7.881 14.120 1.00 12.62 ? 26 MET H N 1 ATOM 70 C CA . MET A 1 11 ? 24.848 9.142 13.434 1.00 13.28 ? 26 MET H CA 1 ATOM 71 C C . MET A 1 11 ? 25.362 10.326 14.310 1.00 13.46 ? 26 MET H C 1 ATOM 72 O O . MET A 1 11 ? 26.083 11.194 13.821 1.00 12.63 ? 26 MET H O 1 ATOM 73 C CB . MET A 1 11 ? 23.514 9.496 12.776 1.00 15.64 ? 26 MET H CB 1 ATOM 74 C CG . MET A 1 11 ? 23.519 10.762 12.019 1.00 21.32 ? 26 MET H CG 1 ATOM 75 S SD . MET A 1 11 ? 21.862 11.175 11.413 1.00 24.37 ? 26 MET H SD 1 ATOM 76 C CE . MET A 1 11 ? 22.259 11.460 9.715 1.00 25.67 ? 26 MET H CE 1 ATOM 77 N N . SER A 1 12 ? 24.990 10.359 15.585 1.00 13.78 ? 27 SER H N 1 ATOM 78 C CA . SER A 1 12 ? 25.411 11.436 16.526 1.00 12.95 ? 27 SER H CA 1 ATOM 79 C C . SER A 1 12 ? 25.792 10.716 17.833 1.00 12.63 ? 27 SER H C 1 ATOM 80 O O . SER A 1 12 ? 25.130 10.824 18.862 1.00 13.59 ? 27 SER H O 1 ATOM 81 C CB A SER A 1 12 ? 24.247 12.395 16.794 0.48 13.42 ? 27 SER H CB 1 ATOM 82 C CB B SER A 1 12 ? 24.235 12.398 16.735 0.52 12.77 ? 27 SER H CB 1 ATOM 83 O OG A SER A 1 12 ? 23.612 12.797 15.596 0.48 14.21 ? 27 SER H OG 1 ATOM 84 O OG B SER A 1 12 ? 24.632 13.572 17.424 0.52 11.70 ? 27 SER H OG 1 ATOM 85 N N . PRO A 1 13 ? 26.878 9.957 17.785 1.00 13.20 ? 28 PRO H N 1 ATOM 86 C CA . PRO A 1 13 ? 27.280 9.220 18.986 1.00 10.61 ? 28 PRO H CA 1 ATOM 87 C C . PRO A 1 13 ? 27.744 10.050 20.117 1.00 9.95 ? 28 PRO H C 1 ATOM 88 O O . PRO A 1 13 ? 28.032 9.493 21.131 1.00 12.82 ? 28 PRO H O 1 ATOM 89 C CB . PRO A 1 13 ? 28.335 8.234 18.465 1.00 8.11 ? 28 PRO H CB 1 ATOM 90 C CG . PRO A 1 13 ? 29.041 9.064 17.344 1.00 10.69 ? 28 PRO H CG 1 ATOM 91 C CD . PRO A 1 13 ? 27.868 9.818 16.674 1.00 12.01 ? 28 PRO H CD 1 ATOM 92 N N . TRP A 1 14 ? 27.848 11.370 19.947 1.00 10.04 ? 29 TRP H N 1 ATOM 93 C CA . TRP A 1 14 ? 28.187 12.284 21.055 1.00 10.48 ? 29 TRP H CA 1 ATOM 94 C C . TRP A 1 14 ? 26.907 12.908 21.648 1.00 9.59 ? 29 TRP H C 1 ATOM 95 O O . TRP A 1 14 ? 26.991 13.802 22.514 1.00 11.43 ? 29 TRP H O 1 ATOM 96 C CB . TRP A 1 14 ? 29.107 13.430 20.566 1.00 7.65 ? 29 TRP H CB 1 ATOM 97 C CG . TRP A 1 14 ? 28.765 13.868 19.180 1.00 7.62 ? 29 TRP H CG 1 ATOM 98 C CD1 . TRP A 1 14 ? 27.726 14.695 18.788 1.00 10.47 ? 29 TRP H CD1 1 ATOM 99 C CD2 . TRP A 1 14 ? 29.409 13.441 17.977 1.00 10.10 ? 29 TRP H CD2 1 ATOM 100 N NE1 . TRP A 1 14 ? 27.681 14.789 17.402 1.00 9.09 ? 29 TRP H NE1 1 ATOM 101 C CE2 . TRP A 1 14 ? 28.699 14.024 16.881 1.00 9.24 ? 29 TRP H CE2 1 ATOM 102 C CE3 . TRP A 1 14 ? 30.521 12.623 17.707 1.00 11.37 ? 29 TRP H CE3 1 ATOM 103 C CZ2 . TRP A 1 14 ? 29.064 13.805 15.543 1.00 9.55 ? 29 TRP H CZ2 1 ATOM 104 C CZ3 . TRP A 1 14 ? 30.885 12.411 16.356 1.00 12.47 ? 29 TRP H CZ3 1 ATOM 105 C CH2 . TRP A 1 14 ? 30.147 13.003 15.294 1.00 11.32 ? 29 TRP H CH2 1 ATOM 106 N N . GLN A 1 15 ? 25.742 12.461 21.180 1.00 9.28 ? 30 GLN H N 1 ATOM 107 C CA . GLN A 1 15 ? 24.461 13.008 21.687 1.00 11.25 ? 30 GLN H CA 1 ATOM 108 C C . GLN A 1 15 ? 24.231 12.548 23.109 1.00 10.64 ? 30 GLN H C 1 ATOM 109 O O . GLN A 1 15 ? 24.350 11.375 23.380 1.00 11.98 ? 30 GLN H O 1 ATOM 110 C CB . GLN A 1 15 ? 23.271 12.522 20.862 1.00 11.58 ? 30 GLN H CB 1 ATOM 111 C CG . GLN A 1 15 ? 22.028 13.266 21.154 1.00 11.69 ? 30 GLN H CG 1 ATOM 112 C CD . GLN A 1 15 ? 22.097 14.589 20.453 1.00 16.08 ? 30 GLN H CD 1 ATOM 113 O OE1 . GLN A 1 15 ? 21.470 15.556 20.808 1.00 19.09 ? 30 GLN H OE1 1 ATOM 114 N NE2 . GLN A 1 15 ? 22.885 14.621 19.414 1.00 20.93 ? 30 GLN H NE2 1 ATOM 115 N N . VAL A 1 16 ? 23.936 13.459 24.017 1.00 9.26 ? 31 VAL H N 1 ATOM 116 C CA . VAL A 1 16 ? 23.672 13.064 25.398 1.00 9.94 ? 31 VAL H CA 1 ATOM 117 C C . VAL A 1 16 ? 22.293 13.499 25.852 1.00 11.19 ? 31 VAL H C 1 ATOM 118 O O . VAL A 1 16 ? 21.837 14.572 25.460 1.00 13.28 ? 31 VAL H O 1 ATOM 119 C CB . VAL A 1 16 ? 24.736 13.629 26.378 1.00 10.03 ? 31 VAL H CB 1 ATOM 120 C CG1 . VAL A 1 16 ? 24.426 13.195 27.884 1.00 7.74 ? 31 VAL H CG1 1 ATOM 121 C CG2 . VAL A 1 16 ? 26.128 13.052 25.956 1.00 8.17 ? 31 VAL H CG2 1 ATOM 122 N N . MET A 1 17 ? 21.617 12.679 26.660 1.00 10.44 ? 32 MET H N 1 ATOM 123 C CA . MET A 1 17 ? 20.288 13.046 27.160 1.00 12.55 ? 32 MET H CA 1 ATOM 124 C C . MET A 1 17 ? 20.429 13.513 28.632 1.00 13.15 ? 32 MET H C 1 ATOM 125 O O . MET A 1 17 ? 20.969 12.789 29.447 1.00 14.18 ? 32 MET H O 1 ATOM 126 C CB . MET A 1 17 ? 19.339 11.848 27.033 1.00 10.84 ? 32 MET H CB 1 ATOM 127 C CG . MET A 1 17 ? 17.997 12.152 27.563 1.00 15.05 ? 32 MET H CG 1 ATOM 128 S SD . MET A 1 17 ? 16.846 10.776 27.517 1.00 20.22 ? 32 MET H SD 1 ATOM 129 C CE . MET A 1 17 ? 16.648 10.611 25.702 1.00 13.71 ? 32 MET H CE 1 ATOM 130 N N . LEU A 1 18 ? 20.043 14.734 28.969 1.00 12.79 ? 33 LEU H N 1 ATOM 131 C CA . LEU A 1 18 ? 20.168 15.141 30.378 1.00 14.72 ? 33 LEU H CA 1 ATOM 132 C C . LEU A 1 18 ? 18.840 14.692 31.009 1.00 15.92 ? 33 LEU H C 1 ATOM 133 O O . LEU A 1 18 ? 17.781 15.092 30.537 1.00 16.56 ? 33 LEU H O 1 ATOM 134 C CB . LEU A 1 18 ? 20.352 16.653 30.526 1.00 13.28 ? 33 LEU H CB 1 ATOM 135 C CG . LEU A 1 18 ? 20.375 17.106 32.001 1.00 15.22 ? 33 LEU H CG 1 ATOM 136 C CD1 . LEU A 1 18 ? 21.691 16.676 32.634 1.00 13.70 ? 33 LEU H CD1 1 ATOM 137 C CD2 . LEU A 1 18 ? 20.255 18.618 32.139 1.00 16.68 ? 33 LEU H CD2 1 ATOM 138 N N . PHE A 1 19 ? 18.890 13.842 32.041 1.00 16.79 ? 34 PHE H N 1 ATOM 139 C CA . PHE A 1 19 ? 17.663 13.247 32.617 1.00 17.89 ? 34 PHE H CA 1 ATOM 140 C C . PHE A 1 19 ? 17.408 13.587 34.083 1.00 18.31 ? 34 PHE H C 1 ATOM 141 O O . PHE A 1 19 ? 18.341 13.559 34.855 1.00 18.69 ? 34 PHE H O 1 ATOM 142 C CB . PHE A 1 19 ? 17.748 11.721 32.446 1.00 17.81 ? 34 PHE H CB 1 ATOM 143 C CG . PHE A 1 19 ? 16.422 11.059 32.326 1.00 18.70 ? 34 PHE H CG 1 ATOM 144 C CD1 . PHE A 1 19 ? 15.655 11.229 31.174 1.00 19.55 ? 34 PHE H CD1 1 ATOM 145 C CD2 . PHE A 1 19 ? 15.936 10.260 33.358 1.00 18.39 ? 34 PHE H CD2 1 ATOM 146 C CE1 . PHE A 1 19 ? 14.416 10.612 31.052 1.00 21.21 ? 34 PHE H CE1 1 ATOM 147 C CE2 . PHE A 1 19 ? 14.703 9.634 33.262 1.00 20.46 ? 34 PHE H CE2 1 ATOM 148 C CZ . PHE A 1 19 ? 13.930 9.804 32.110 1.00 23.31 ? 34 PHE H CZ 1 ATOM 149 N N . ARG A 1 20 ? 16.169 13.919 34.455 1.00 19.27 ? 35 ARG H N 1 ATOM 150 C CA . ARG A 1 20 ? 15.847 14.287 35.850 1.00 20.76 ? 35 ARG H CA 1 ATOM 151 C C . ARG A 1 20 ? 15.519 12.998 36.598 1.00 21.65 ? 35 ARG H C 1 ATOM 152 O O . ARG A 1 20 ? 14.759 12.181 36.086 1.00 22.31 ? 35 ARG H O 1 ATOM 153 C CB . ARG A 1 20 ? 14.660 15.242 35.881 1.00 21.33 ? 35 ARG H CB 1 ATOM 154 C CG . ARG A 1 20 ? 14.365 15.826 37.239 1.00 22.59 ? 35 ARG H CG 1 ATOM 155 C CD . ARG A 1 20 ? 13.058 16.569 37.166 1.00 24.50 ? 35 ARG H CD 1 ATOM 156 N NE . ARG A 1 20 ? 12.762 17.340 38.364 1.00 28.06 ? 35 ARG H NE 1 ATOM 157 C CZ . ARG A 1 20 ? 11.873 18.337 38.378 1.00 30.21 ? 35 ARG H CZ 1 ATOM 158 N NH1 . ARG A 1 20 ? 11.214 18.660 37.275 1.00 30.58 ? 35 ARG H NH1 1 ATOM 159 N NH2 . ARG A 1 20 ? 11.651 19.030 39.484 1.00 29.40 ? 35 ARG H NH2 1 ATOM 160 N N . LYS A 1 21 ? 16.136 12.773 37.749 1.00 22.48 ? 36 LYS H N 1 ATOM 161 C CA . LYS A 1 21 ? 15.902 11.547 38.501 1.00 24.05 ? 36 LYS H CA 1 ATOM 162 C C . LYS A 1 21 ? 14.464 11.389 38.964 1.00 26.19 ? 36 LYS H C 1 ATOM 163 O O . LYS A 1 21 ? 13.810 10.380 38.676 1.00 25.61 ? 36 LYS H O 1 ATOM 164 C CB . LYS A 1 21 ? 16.783 11.504 39.713 1.00 23.95 ? 36 LYS H CB 1 ATOM 165 C CG . LYS A 1 21 ? 18.202 11.180 39.419 1.00 24.43 ? 36 LYS H CG 1 ATOM 166 C CD . LYS A 1 21 ? 18.965 11.155 40.754 1.00 25.26 ? 36 LYS H CD 1 ATOM 167 C CE . LYS A 1 21 ? 20.373 10.628 40.631 1.00 25.83 ? 36 LYS H CE 1 ATOM 168 N NZ . LYS A 1 21 ? 21.014 10.653 41.951 1.00 26.67 ? 36 LYS H NZ 1 ATOM 169 N N . SER A 1 22 A 13.959 12.388 39.678 1.00 27.52 ? 36 SER H N 1 ATOM 170 C CA . SER A 1 22 A 12.591 12.307 40.142 1.00 30.00 ? 36 SER H CA 1 ATOM 171 C C . SER A 1 22 A 11.818 13.637 40.233 1.00 29.91 ? 36 SER H C 1 ATOM 172 O O . SER A 1 22 A 12.250 14.585 40.871 1.00 30.48 ? 36 SER H O 1 ATOM 173 C CB . SER A 1 22 A 12.564 11.597 41.497 1.00 31.73 ? 36 SER H CB 1 ATOM 174 O OG . SER A 1 22 A 11.337 11.864 42.151 1.00 35.36 ? 36 SER H OG 1 ATOM 175 N N . PRO A 1 23 ? 10.684 13.735 39.536 1.00 30.10 ? 37 PRO H N 1 ATOM 176 C CA . PRO A 1 23 ? 10.150 12.668 38.693 1.00 29.82 ? 37 PRO H CA 1 ATOM 177 C C . PRO A 1 23 ? 11.002 12.439 37.437 1.00 30.74 ? 37 PRO H C 1 ATOM 178 O O . PRO A 1 23 ? 11.761 13.327 36.995 1.00 30.97 ? 37 PRO H O 1 ATOM 179 C CB . PRO A 1 23 ? 8.745 13.162 38.368 1.00 30.59 ? 37 PRO H CB 1 ATOM 180 C CG . PRO A 1 23 ? 8.845 14.667 38.505 1.00 30.13 ? 37 PRO H CG 1 ATOM 181 C CD . PRO A 1 23 ? 9.695 14.811 39.721 1.00 29.60 ? 37 PRO H CD 1 ATOM 182 N N . GLN A 1 24 ? 10.889 11.243 36.881 1.00 29.73 ? 38 GLN H N 1 ATOM 183 C CA . GLN A 1 24 ? 11.620 10.915 35.685 1.00 30.24 ? 38 GLN H CA 1 ATOM 184 C C . GLN A 1 24 ? 11.168 11.792 34.545 1.00 29.37 ? 38 GLN H C 1 ATOM 185 O O . GLN A 1 24 ? 9.992 11.821 34.179 1.00 29.39 ? 38 GLN H O 1 ATOM 186 C CB . GLN A 1 24 ? 11.451 9.458 35.367 1.00 30.38 ? 38 GLN H CB 1 ATOM 187 C CG . GLN A 1 24 ? 12.414 8.720 36.218 1.00 34.52 ? 38 GLN H CG 1 ATOM 188 C CD . GLN A 1 24 ? 12.450 7.276 35.890 1.00 36.90 ? 38 GLN H CD 1 ATOM 189 O OE1 . GLN A 1 24 ? 13.461 6.612 36.104 1.00 36.30 ? 38 GLN H OE1 1 ATOM 190 N NE2 . GLN A 1 24 ? 11.330 6.760 35.365 1.00 38.52 ? 38 GLN H NE2 1 ATOM 191 N N . GLU A 1 25 ? 12.141 12.486 33.969 1.00 27.21 ? 39 GLU H N 1 ATOM 192 C CA . GLU A 1 25 ? 11.842 13.439 32.937 1.00 25.13 ? 39 GLU H CA 1 ATOM 193 C C . GLU A 1 25 ? 13.101 13.740 32.067 1.00 23.90 ? 39 GLU H C 1 ATOM 194 O O . GLU A 1 25 ? 14.215 13.951 32.591 1.00 21.38 ? 39 GLU H O 1 ATOM 195 C CB . GLU A 1 25 ? 11.364 14.707 33.657 1.00 26.64 ? 39 GLU H CB 1 ATOM 196 C CG . GLU A 1 25 ? 10.597 15.717 32.827 1.00 33.40 ? 39 GLU H CG 1 ATOM 197 C CD . GLU A 1 25 ? 10.397 17.058 33.552 1.00 36.09 ? 39 GLU H CD 1 ATOM 198 O OE1 . GLU A 1 25 ? 9.961 18.043 32.908 1.00 39.44 ? 39 GLU H OE1 1 ATOM 199 O OE2 . GLU A 1 25 ? 10.678 17.144 34.764 1.00 38.73 ? 39 GLU H OE2 1 ATOM 200 N N . LEU A 1 26 ? 12.894 13.726 30.754 1.00 21.48 ? 40 LEU H N 1 ATOM 201 C CA . LEU A 1 26 ? 13.886 14.087 29.747 1.00 21.29 ? 40 LEU H CA 1 ATOM 202 C C . LEU A 1 26 ? 13.987 15.604 29.978 1.00 20.83 ? 40 LEU H C 1 ATOM 203 O O . LEU A 1 26 ? 12.985 16.300 29.938 1.00 21.97 ? 40 LEU H O 1 ATOM 204 C CB . LEU A 1 26 ? 13.304 13.801 28.357 1.00 22.12 ? 40 LEU H CB 1 ATOM 205 C CG . LEU A 1 26 ? 14.043 14.144 27.051 1.00 25.80 ? 40 LEU H CG 1 ATOM 206 C CD1 . LEU A 1 26 ? 15.421 14.680 27.299 1.00 26.77 ? 40 LEU H CD1 1 ATOM 207 C CD2 . LEU A 1 26 ? 14.136 12.899 26.210 1.00 26.36 ? 40 LEU H CD2 1 ATOM 208 N N . LEU A 1 27 ? 15.153 16.126 30.293 1.00 18.96 ? 41 LEU H N 1 ATOM 209 C CA . LEU A 1 27 ? 15.223 17.565 30.523 1.00 19.42 ? 41 LEU H CA 1 ATOM 210 C C . LEU A 1 27 ? 15.798 18.418 29.423 1.00 18.89 ? 41 LEU H C 1 ATOM 211 O O . LEU A 1 27 ? 15.316 19.517 29.233 1.00 18.70 ? 41 LEU H O 1 ATOM 212 C CB . LEU A 1 27 ? 16.021 17.892 31.799 1.00 20.59 ? 41 LEU H CB 1 ATOM 213 C CG . LEU A 1 27 ? 15.414 17.602 33.175 1.00 20.06 ? 41 LEU H CG 1 ATOM 214 C CD1 . LEU A 1 27 ? 16.463 17.929 34.215 1.00 21.98 ? 41 LEU H CD1 1 ATOM 215 C CD2 . LEU A 1 27 ? 14.194 18.434 33.371 1.00 18.32 ? 41 LEU H CD2 1 ATOM 216 N N . CYS A 1 28 ? 16.827 17.924 28.711 1.00 18.13 ? 42 CYS H N 1 ATOM 217 C CA . CYS A 1 28 ? 17.546 18.710 27.677 1.00 16.69 ? 42 CYS H CA 1 ATOM 218 C C . CYS A 1 28 ? 18.472 17.758 26.932 1.00 15.34 ? 42 CYS H C 1 ATOM 219 O O . CYS A 1 28 ? 18.628 16.609 27.289 1.00 15.52 ? 42 CYS H O 1 ATOM 220 C CB . CYS A 1 28 ? 18.501 19.737 28.355 1.00 15.59 ? 42 CYS H CB 1 ATOM 221 S SG . CYS A 1 28 ? 17.813 21.406 28.622 1.00 24.02 ? 42 CYS H SG 1 ATOM 222 N N . GLY A 1 29 ? 19.154 18.304 25.954 1.00 13.32 ? 43 GLY H N 1 ATOM 223 C CA . GLY A 1 29 ? 20.141 17.539 25.221 1.00 13.36 ? 43 GLY H CA 1 ATOM 224 C C . GLY A 1 29 ? 21.483 17.966 25.801 1.00 11.36 ? 43 GLY H C 1 ATOM 225 O O . GLY A 1 29 ? 21.543 18.761 26.725 1.00 10.88 ? 43 GLY H O 1 ATOM 226 N N . ALA A 1 30 ? 22.561 17.417 25.301 1.00 10.18 ? 44 ALA H N 1 ATOM 227 C CA . ALA A 1 30 ? 23.895 17.766 25.812 1.00 9.65 ? 44 ALA H CA 1 ATOM 228 C C . ALA A 1 30 ? 24.814 16.995 24.891 1.00 9.57 ? 44 ALA H C 1 ATOM 229 O O . ALA A 1 30 ? 24.331 16.216 24.097 1.00 7.54 ? 44 ALA H O 1 ATOM 230 C CB . ALA A 1 30 ? 24.071 17.284 27.252 1.00 7.72 ? 44 ALA H CB 1 ATOM 231 N N . SER A 1 31 ? 26.121 17.217 24.999 1.00 11.83 ? 45 SER H N 1 ATOM 232 C CA . SER A 1 31 ? 27.076 16.504 24.160 1.00 14.34 ? 45 SER H CA 1 ATOM 233 C C . SER A 1 31 ? 28.306 15.916 24.925 1.00 14.61 ? 45 SER H C 1 ATOM 234 O O . SER A 1 31 ? 28.719 16.438 25.972 1.00 13.70 ? 45 SER H O 1 ATOM 235 C CB . SER A 1 31 ? 27.543 17.436 23.027 1.00 14.32 ? 45 SER H CB 1 ATOM 236 O OG . SER A 1 31 ? 28.184 18.575 23.549 1.00 16.94 ? 45 SER H OG 1 ATOM 237 N N . LEU A 1 32 ? 28.859 14.829 24.376 1.00 12.68 ? 46 LEU H N 1 ATOM 238 C CA . LEU A 1 32 ? 30.023 14.137 24.958 1.00 13.70 ? 46 LEU H CA 1 ATOM 239 C C . LEU A 1 32 ? 31.308 14.678 24.321 1.00 12.09 ? 46 LEU H C 1 ATOM 240 O O . LEU A 1 32 ? 31.450 14.600 23.139 1.00 13.60 ? 46 LEU H O 1 ATOM 241 C CB . LEU A 1 32 ? 30.002 12.645 24.641 1.00 9.48 ? 46 LEU H CB 1 ATOM 242 C CG . LEU A 1 32 ? 30.356 11.469 25.558 1.00 14.46 ? 46 LEU H CG 1 ATOM 243 C CD1 . LEU A 1 32 ? 31.270 10.601 24.854 1.00 5.82 ? 46 LEU H CD1 1 ATOM 244 C CD2 . LEU A 1 32 ? 30.846 11.823 26.940 1.00 9.57 ? 46 LEU H CD2 1 ATOM 245 N N . ILE A 1 33 ? 32.229 15.209 25.112 1.00 12.37 ? 47 ILE H N 1 ATOM 246 C CA . ILE A 1 33 ? 33.449 15.676 24.532 1.00 12.66 ? 47 ILE H CA 1 ATOM 247 C C . ILE A 1 33 ? 34.625 14.860 24.980 1.00 13.02 ? 47 ILE H C 1 ATOM 248 O O . ILE A 1 33 ? 35.682 15.056 24.472 1.00 13.66 ? 47 ILE H O 1 ATOM 249 C CB . ILE A 1 33 ? 33.735 17.152 24.784 1.00 14.45 ? 47 ILE H CB 1 ATOM 250 C CG1 . ILE A 1 33 ? 34.030 17.357 26.235 1.00 15.29 ? 47 ILE H CG1 1 ATOM 251 C CG2 . ILE A 1 33 ? 32.535 18.092 24.197 1.00 11.88 ? 47 ILE H CG2 1 ATOM 252 C CD1 . ILE A 1 33 ? 34.412 18.771 26.494 1.00 18.46 ? 47 ILE H CD1 1 ATOM 253 N N . SER A 1 34 ? 34.459 13.958 25.945 1.00 11.19 ? 48 SER H N 1 ATOM 254 C CA . SER A 1 34 ? 35.555 13.098 26.329 1.00 11.67 ? 48 SER H CA 1 ATOM 255 C C . SER A 1 34 ? 34.927 11.925 27.046 1.00 12.30 ? 48 SER H C 1 ATOM 256 O O . SER A 1 34 ? 33.725 11.802 27.023 1.00 13.50 ? 48 SER H O 1 ATOM 257 C CB . SER A 1 34 ? 36.529 13.808 27.251 1.00 11.95 ? 48 SER H CB 1 ATOM 258 O OG . SER A 1 34 ? 35.985 13.916 28.551 1.00 11.95 ? 48 SER H OG 1 ATOM 259 N N . ASP A 1 35 ? 35.715 11.101 27.719 1.00 11.36 ? 49 ASP H N 1 ATOM 260 C CA . ASP A 1 35 ? 35.184 9.972 28.432 1.00 11.92 ? 49 ASP H CA 1 ATOM 261 C C . ASP A 1 35 ? 34.599 10.440 29.754 1.00 13.97 ? 49 ASP H C 1 ATOM 262 O O . ASP A 1 35 ? 34.005 9.637 30.483 1.00 16.35 ? 49 ASP H O 1 ATOM 263 C CB . ASP A 1 35 ? 36.315 8.968 28.708 1.00 14.10 ? 49 ASP H CB 1 ATOM 264 C CG . ASP A 1 35 ? 37.392 9.510 29.681 1.00 17.18 ? 49 ASP H CG 1 ATOM 265 O OD1 . ASP A 1 35 ? 37.364 10.719 30.083 1.00 14.44 ? 49 ASP H OD1 1 ATOM 266 O OD2 . ASP A 1 35 ? 38.293 8.696 30.039 1.00 20.43 ? 49 ASP H OD2 1 ATOM 267 N N . ARG A 1 36 ? 34.745 11.724 30.095 1.00 12.98 ? 50 ARG H N 1 ATOM 268 C CA . ARG A 1 36 ? 34.223 12.140 31.398 1.00 13.67 ? 50 ARG H CA 1 ATOM 269 C C . ARG A 1 36 ? 33.656 13.567 31.424 1.00 12.93 ? 50 ARG H C 1 ATOM 270 O O . ARG A 1 36 ? 33.254 14.069 32.496 1.00 12.84 ? 50 ARG H O 1 ATOM 271 C CB . ARG A 1 36 ? 35.323 11.993 32.471 1.00 13.19 ? 50 ARG H CB 1 ATOM 272 C CG . ARG A 1 36 ? 36.452 13.031 32.310 1.00 14.56 ? 50 ARG H CG 1 ATOM 273 C CD . ARG A 1 36 ? 37.682 12.573 33.151 1.00 18.02 ? 50 ARG H CD 1 ATOM 274 N NE . ARG A 1 36 ? 38.262 11.355 32.575 1.00 17.74 ? 50 ARG H NE 1 ATOM 275 C CZ . ARG A 1 36 ? 39.235 10.637 33.132 1.00 17.83 ? 50 ARG H CZ 1 ATOM 276 N NH1 . ARG A 1 36 ? 39.754 10.973 34.305 1.00 19.06 ? 50 ARG H NH1 1 ATOM 277 N NH2 . ARG A 1 36 ? 39.744 9.623 32.475 1.00 16.53 ? 50 ARG H NH2 1 ATOM 278 N N . TRP A 1 37 ? 33.660 14.226 30.267 1.00 12.04 ? 51 TRP H N 1 ATOM 279 C CA . TRP A 1 37 ? 33.075 15.547 30.205 1.00 11.01 ? 51 TRP H CA 1 ATOM 280 C C . TRP A 1 37 ? 31.883 15.711 29.282 1.00 11.51 ? 51 TRP H C 1 ATOM 281 O O . TRP A 1 37 ? 31.917 15.357 28.112 1.00 10.76 ? 51 TRP H O 1 ATOM 282 C CB . TRP A 1 37 ? 34.111 16.601 29.834 1.00 10.14 ? 51 TRP H CB 1 ATOM 283 C CG . TRP A 1 37 ? 35.117 16.843 30.903 1.00 12.23 ? 51 TRP H CG 1 ATOM 284 C CD1 . TRP A 1 37 ? 36.441 16.403 30.931 1.00 12.12 ? 51 TRP H CD1 1 ATOM 285 C CD2 . TRP A 1 37 ? 34.951 17.658 32.071 1.00 13.80 ? 51 TRP H CD2 1 ATOM 286 N NE1 . TRP A 1 37 ? 37.088 16.921 32.033 1.00 12.92 ? 51 TRP H NE1 1 ATOM 287 C CE2 . TRP A 1 37 ? 36.211 17.689 32.752 1.00 13.55 ? 51 TRP H CE2 1 ATOM 288 C CE3 . TRP A 1 37 ? 33.878 18.370 32.609 1.00 12.19 ? 51 TRP H CE3 1 ATOM 289 C CZ2 . TRP A 1 37 ? 36.417 18.419 33.944 1.00 14.52 ? 51 TRP H CZ2 1 ATOM 290 C CZ3 . TRP A 1 37 ? 34.089 19.087 33.806 1.00 13.18 ? 51 TRP H CZ3 1 ATOM 291 C CH2 . TRP A 1 37 ? 35.360 19.101 34.455 1.00 14.07 ? 51 TRP H CH2 1 ATOM 292 N N . VAL A 1 38 ? 30.827 16.298 29.827 1.00 12.61 ? 52 VAL H N 1 ATOM 293 C CA . VAL A 1 38 ? 29.675 16.563 29.020 1.00 13.12 ? 52 VAL H CA 1 ATOM 294 C C . VAL A 1 38 ? 29.348 18.082 28.928 1.00 14.08 ? 52 VAL H C 1 ATOM 295 O O . VAL A 1 38 ? 29.363 18.822 29.927 1.00 13.24 ? 52 VAL H O 1 ATOM 296 C CB . VAL A 1 38 ? 28.442 15.782 29.537 1.00 14.04 ? 52 VAL H CB 1 ATOM 297 C CG1 . VAL A 1 38 ? 27.212 16.184 28.723 1.00 11.40 ? 52 VAL H CG1 1 ATOM 298 C CG2 . VAL A 1 38 ? 28.708 14.266 29.429 1.00 12.20 ? 52 VAL H CG2 1 ATOM 299 N N . LEU A 1 39 ? 29.057 18.534 27.719 1.00 12.22 ? 53 LEU H N 1 ATOM 300 C CA . LEU A 1 39 ? 28.698 19.923 27.500 1.00 12.02 ? 53 LEU H CA 1 ATOM 301 C C . LEU A 1 39 ? 27.174 20.091 27.398 1.00 11.90 ? 53 LEU H C 1 ATOM 302 O O . LEU A 1 39 ? 26.499 19.216 26.883 1.00 10.46 ? 53 LEU H O 1 ATOM 303 C CB . LEU A 1 39 ? 29.323 20.376 26.221 1.00 13.55 ? 53 LEU H CB 1 ATOM 304 C CG . LEU A 1 39 ? 29.749 21.815 26.001 1.00 16.43 ? 53 LEU H CG 1 ATOM 305 C CD1 . LEU A 1 39 ? 30.479 22.473 27.184 1.00 12.85 ? 53 LEU H CD1 1 ATOM 306 C CD2 . LEU A 1 39 ? 30.614 21.750 24.766 1.00 16.19 ? 53 LEU H CD2 1 ATOM 307 N N . THR A 1 40 ? 26.632 21.186 27.943 1.00 10.68 ? 54 THR H N 1 ATOM 308 C CA . THR A 1 40 ? 25.215 21.459 27.806 1.00 10.52 ? 54 THR H CA 1 ATOM 309 C C . THR A 1 40 ? 24.987 22.936 27.976 1.00 11.14 ? 54 THR H C 1 ATOM 310 O O . THR A 1 40 ? 25.935 23.686 28.142 1.00 11.75 ? 54 THR H O 1 ATOM 311 C CB . THR A 1 40 ? 24.335 20.679 28.827 1.00 9.35 ? 54 THR H CB 1 ATOM 312 O OG1 . THR A 1 40 ? 22.938 20.798 28.453 1.00 9.45 ? 54 THR H OG1 1 ATOM 313 C CG2 . THR A 1 40 ? 24.564 21.185 30.242 1.00 8.33 ? 54 THR H CG2 1 ATOM 314 N N . ALA A 1 41 ? 23.726 23.355 27.910 1.00 11.46 ? 55 ALA H N 1 ATOM 315 C CA . ALA A 1 41 ? 23.387 24.755 28.091 1.00 11.19 ? 55 ALA H CA 1 ATOM 316 C C . ALA A 1 41 ? 23.161 25.065 29.587 1.00 11.36 ? 55 ALA H C 1 ATOM 317 O O . ALA A 1 41 ? 22.486 24.297 30.311 1.00 11.85 ? 55 ALA H O 1 ATOM 318 C CB . ALA A 1 41 ? 22.095 25.085 27.284 1.00 8.58 ? 55 ALA H CB 1 ATOM 319 N N . ALA A 1 42 ? 23.715 26.167 30.060 1.00 10.65 ? 56 ALA H N 1 ATOM 320 C CA . ALA A 1 42 ? 23.475 26.542 31.457 1.00 11.33 ? 56 ALA H CA 1 ATOM 321 C C . ALA A 1 42 ? 21.942 26.590 31.868 1.00 12.25 ? 56 ALA H C 1 ATOM 322 O O . ALA A 1 42 ? 21.570 26.096 32.936 1.00 12.54 ? 56 ALA H O 1 ATOM 323 C CB . ALA A 1 42 ? 24.160 27.903 31.756 1.00 7.54 ? 56 ALA H CB 1 ATOM 324 N N . HIS A 1 43 ? 21.068 27.172 31.036 1.00 13.93 ? 57 HIS H N 1 ATOM 325 C CA . HIS A 1 43 ? 19.630 27.291 31.383 1.00 14.28 ? 57 HIS H CA 1 ATOM 326 C C . HIS A 1 43 ? 18.925 25.969 31.660 1.00 14.03 ? 57 HIS H C 1 ATOM 327 O O . HIS A 1 43 ? 17.822 25.943 32.222 1.00 12.25 ? 57 HIS H O 1 ATOM 328 C CB . HIS A 1 43 ? 18.812 28.111 30.314 1.00 14.62 ? 57 HIS H CB 1 ATOM 329 C CG . HIS A 1 43 ? 18.379 27.344 29.094 1.00 13.57 ? 57 HIS H CG 1 ATOM 330 N ND1 . HIS A 1 43 ? 19.004 27.486 27.877 1.00 15.68 ? 57 HIS H ND1 1 ATOM 331 C CD2 . HIS A 1 43 ? 17.316 26.531 28.860 1.00 12.80 ? 57 HIS H CD2 1 ATOM 332 C CE1 . HIS A 1 43 ? 18.326 26.791 26.975 1.00 15.22 ? 57 HIS H CE1 1 ATOM 333 N NE2 . HIS A 1 43 ? 17.291 26.198 27.569 1.00 15.78 ? 57 HIS H NE2 1 ATOM 334 N N . CYS A 1 44 ? 19.572 24.879 31.262 1.00 15.91 ? 58 CYS H N 1 ATOM 335 C CA . CYS A 1 44 ? 19.046 23.535 31.486 1.00 15.79 ? 58 CYS H CA 1 ATOM 336 C C . CYS A 1 44 ? 19.250 23.159 32.949 1.00 16.04 ? 58 CYS H C 1 ATOM 337 O O . CYS A 1 44 ? 18.548 22.327 33.476 1.00 16.19 ? 58 CYS H O 1 ATOM 338 C CB . CYS A 1 44 ? 19.795 22.518 30.637 1.00 15.58 ? 58 CYS H CB 1 ATOM 339 S SG . CYS A 1 44 ? 19.453 22.637 28.838 1.00 20.08 ? 58 CYS H SG 1 ATOM 340 N N . LEU A 1 45 ? 20.182 23.829 33.615 1.00 15.21 ? 59 LEU H N 1 ATOM 341 C CA . LEU A 1 45 ? 20.498 23.500 35.003 1.00 15.98 ? 59 LEU H CA 1 ATOM 342 C C . LEU A 1 45 ? 20.084 24.607 35.977 1.00 17.30 ? 59 LEU H C 1 ATOM 343 O O . LEU A 1 45 ? 19.628 24.363 37.106 1.00 19.02 ? 59 LEU H O 1 ATOM 344 C CB . LEU A 1 45 ? 22.011 23.275 35.085 1.00 15.38 ? 59 LEU H CB 1 ATOM 345 C CG . LEU A 1 45 ? 22.461 22.062 34.270 1.00 12.53 ? 59 LEU H CG 1 ATOM 346 C CD1 . LEU A 1 45 ? 23.949 21.992 34.113 1.00 14.82 ? 59 LEU H CD1 1 ATOM 347 C CD2 . LEU A 1 45 ? 21.948 20.809 35.004 1.00 12.38 ? 59 LEU H CD2 1 ATOM 348 N N . LEU A 1 46 ? 20.257 25.829 35.509 1.00 16.88 ? 60 LEU H N 1 ATOM 349 C CA . LEU A 1 46 ? 19.984 26.996 36.278 1.00 15.23 ? 60 LEU H CA 1 ATOM 350 C C . LEU A 1 46 ? 19.210 28.091 35.493 1.00 14.65 ? 60 LEU H C 1 ATOM 351 O O . LEU A 1 46 ? 19.717 28.720 34.554 1.00 13.63 ? 60 LEU H O 1 ATOM 352 C CB . LEU A 1 46 ? 21.326 27.537 36.786 1.00 14.34 ? 60 LEU H CB 1 ATOM 353 C CG . LEU A 1 46 ? 21.169 28.829 37.601 1.00 14.56 ? 60 LEU H CG 1 ATOM 354 C CD1 . LEU A 1 46 ? 20.452 28.471 38.945 1.00 14.77 ? 60 LEU H CD1 1 ATOM 355 C CD2 . LEU A 1 46 ? 22.581 29.506 37.838 1.00 13.72 ? 60 LEU H CD2 1 ATOM 356 N N . TYR A 1 47 A 17.967 28.304 35.879 1.00 14.52 ? 60 TYR H N 1 ATOM 357 C CA . TYR A 1 47 A 17.187 29.373 35.262 1.00 15.91 ? 60 TYR H CA 1 ATOM 358 C C . TYR A 1 47 A 16.292 29.961 36.364 1.00 14.31 ? 60 TYR H C 1 ATOM 359 O O . TYR A 1 47 A 15.172 29.568 36.568 1.00 14.14 ? 60 TYR H O 1 ATOM 360 C CB . TYR A 1 47 A 16.387 28.870 34.064 1.00 14.23 ? 60 TYR H CB 1 ATOM 361 C CG . TYR A 1 47 A 15.850 30.049 33.281 1.00 16.64 ? 60 TYR H CG 1 ATOM 362 C CD1 . TYR A 1 47 A 16.734 30.979 32.733 1.00 14.80 ? 60 TYR H CD1 1 ATOM 363 C CD2 . TYR A 1 47 A 14.459 30.270 33.143 1.00 14.38 ? 60 TYR H CD2 1 ATOM 364 C CE1 . TYR A 1 47 A 16.280 32.106 32.076 1.00 15.33 ? 60 TYR H CE1 1 ATOM 365 C CE2 . TYR A 1 47 A 13.988 31.402 32.473 1.00 15.69 ? 60 TYR H CE2 1 ATOM 366 C CZ . TYR A 1 47 A 14.919 32.312 31.950 1.00 15.53 ? 60 TYR H CZ 1 ATOM 367 O OH . TYR A 1 47 A 14.520 33.423 31.298 1.00 14.73 ? 60 TYR H OH 1 ATOM 368 N N . PRO A 1 48 B 16.829 30.910 37.106 1.00 15.60 ? 60 PRO H N 1 ATOM 369 C CA . PRO A 1 48 B 16.057 31.506 38.202 1.00 16.40 ? 60 PRO H CA 1 ATOM 370 C C . PRO A 1 48 B 14.644 31.931 37.889 1.00 16.36 ? 60 PRO H C 1 ATOM 371 O O . PRO A 1 48 B 13.742 31.624 38.652 1.00 15.67 ? 60 PRO H O 1 ATOM 372 C CB . PRO A 1 48 B 16.970 32.672 38.687 1.00 15.13 ? 60 PRO H CB 1 ATOM 373 C CG . PRO A 1 48 B 18.348 32.070 38.472 1.00 15.39 ? 60 PRO H CG 1 ATOM 374 C CD . PRO A 1 48 B 18.171 31.513 37.029 1.00 15.08 ? 60 PRO H CD 1 ATOM 375 N N . PRO A 1 49 C 14.422 32.625 36.762 1.00 16.37 ? 60 PRO H N 1 ATOM 376 C CA . PRO A 1 49 C 13.050 33.039 36.465 1.00 17.88 ? 60 PRO H CA 1 ATOM 377 C C . PRO A 1 49 C 12.004 31.922 36.511 1.00 18.68 ? 60 PRO H C 1 ATOM 378 O O . PRO A 1 49 C 10.855 32.223 36.814 1.00 19.43 ? 60 PRO H O 1 ATOM 379 C CB . PRO A 1 49 C 13.166 33.683 35.086 1.00 17.15 ? 60 PRO H CB 1 ATOM 380 C CG . PRO A 1 49 C 14.538 34.147 35.071 1.00 15.39 ? 60 PRO H CG 1 ATOM 381 C CD . PRO A 1 49 C 15.306 33.009 35.664 1.00 15.41 ? 60 PRO H CD 1 ATOM 382 N N . TRP A 1 50 D 12.350 30.675 36.164 1.00 16.51 ? 60 TRP H N 1 ATOM 383 C CA . TRP A 1 50 D 11.355 29.625 36.285 1.00 16.69 ? 60 TRP H CA 1 ATOM 384 C C . TRP A 1 50 D 11.647 28.782 37.497 1.00 18.78 ? 60 TRP H C 1 ATOM 385 O O . TRP A 1 50 D 11.259 27.600 37.569 1.00 19.03 ? 60 TRP H O 1 ATOM 386 C CB . TRP A 1 50 D 11.290 28.710 35.069 1.00 14.79 ? 60 TRP H CB 1 ATOM 387 C CG . TRP A 1 50 D 10.978 29.454 33.794 1.00 16.00 ? 60 TRP H CG 1 ATOM 388 C CD1 . TRP A 1 50 D 10.400 30.691 33.682 1.00 15.02 ? 60 TRP H CD1 1 ATOM 389 C CD2 . TRP A 1 50 D 11.115 28.949 32.454 1.00 15.80 ? 60 TRP H CD2 1 ATOM 390 N NE1 . TRP A 1 50 D 10.154 30.983 32.338 1.00 15.37 ? 60 TRP H NE1 1 ATOM 391 C CE2 . TRP A 1 50 D 10.583 29.927 31.573 1.00 16.29 ? 60 TRP H CE2 1 ATOM 392 C CE3 . TRP A 1 50 D 11.633 27.767 31.912 1.00 17.18 ? 60 TRP H CE3 1 ATOM 393 C CZ2 . TRP A 1 50 D 10.549 29.746 30.163 1.00 16.87 ? 60 TRP H CZ2 1 ATOM 394 C CZ3 . TRP A 1 50 D 11.601 27.589 30.499 1.00 17.58 ? 60 TRP H CZ3 1 ATOM 395 C CH2 . TRP A 1 50 D 11.058 28.580 29.656 1.00 15.37 ? 60 TRP H CH2 1 ATOM 396 N N . ASP A 1 51 E 12.354 29.347 38.457 1.00 18.47 ? 60 ASP H N 1 ATOM 397 C CA . ASP A 1 51 E 12.618 28.577 39.646 1.00 21.39 ? 60 ASP H CA 1 ATOM 398 C C . ASP A 1 51 E 13.384 27.289 39.385 1.00 20.33 ? 60 ASP H C 1 ATOM 399 O O . ASP A 1 51 E 13.144 26.269 40.012 1.00 20.46 ? 60 ASP H O 1 ATOM 400 C CB . ASP A 1 51 E 11.279 28.203 40.268 1.00 26.94 ? 60 ASP H CB 1 ATOM 401 C CG . ASP A 1 51 E 11.358 28.093 41.766 1.00 31.93 ? 60 ASP H CG 1 ATOM 402 O OD1 . ASP A 1 51 E 11.077 27.003 42.297 1.00 35.02 ? 60 ASP H OD1 1 ATOM 403 O OD2 . ASP A 1 51 E 11.720 29.113 42.397 1.00 36.10 ? 60 ASP H OD2 1 ATOM 404 N N . LYS A 1 52 F 14.300 27.315 38.450 1.00 20.62 ? 60 LYS H N 1 ATOM 405 C CA . LYS A 1 52 F 15.037 26.111 38.121 1.00 18.89 ? 60 LYS H CA 1 ATOM 406 C C . LYS A 1 52 F 16.463 26.245 38.654 1.00 19.38 ? 60 LYS H C 1 ATOM 407 O O . LYS A 1 52 F 17.157 27.203 38.375 1.00 17.83 ? 60 LYS H O 1 ATOM 408 C CB . LYS A 1 52 F 15.055 25.925 36.604 1.00 19.04 ? 60 LYS H CB 1 ATOM 409 C CG . LYS A 1 52 F 15.807 24.706 36.159 1.00 20.09 ? 60 LYS H CG 1 ATOM 410 C CD . LYS A 1 52 F 16.133 24.776 34.701 1.00 20.64 ? 60 LYS H CD 1 ATOM 411 C CE . LYS A 1 52 F 14.866 24.652 33.911 1.00 21.96 ? 60 LYS H CE 1 ATOM 412 N NZ . LYS A 1 52 F 15.074 25.183 32.583 1.00 26.37 ? 60 LYS H NZ 1 ATOM 413 N N . ASN A 1 53 G 16.871 25.277 39.449 1.00 20.85 ? 60 ASN H N 1 ATOM 414 C CA . ASN A 1 53 G 18.198 25.254 40.018 1.00 23.96 ? 60 ASN H CA 1 ATOM 415 C C . ASN A 1 53 G 18.543 23.792 40.351 1.00 24.21 ? 60 ASN H C 1 ATOM 416 O O . ASN A 1 53 G 18.329 23.347 41.470 1.00 24.05 ? 60 ASN H O 1 ATOM 417 C CB . ASN A 1 53 G 18.245 26.099 41.293 1.00 26.21 ? 60 ASN H CB 1 ATOM 418 C CG . ASN A 1 53 G 19.635 26.282 41.781 1.00 30.03 ? 60 ASN H CG 1 ATOM 419 O OD1 . ASN A 1 53 G 20.510 25.596 41.296 1.00 28.06 ? 60 ASN H OD1 1 ATOM 420 N ND2 . ASN A 1 53 G 19.836 27.184 42.740 1.00 35.38 ? 60 ASN H ND2 1 ATOM 421 N N . PHE A 1 54 H 19.040 23.036 39.382 1.00 22.11 ? 60 PHE H N 1 ATOM 422 C CA . PHE A 1 54 H 19.344 21.641 39.677 1.00 21.51 ? 60 PHE H CA 1 ATOM 423 C C . PHE A 1 54 H 20.677 21.438 40.301 1.00 20.59 ? 60 PHE H C 1 ATOM 424 O O . PHE A 1 54 H 21.571 22.249 40.180 1.00 21.74 ? 60 PHE H O 1 ATOM 425 C CB . PHE A 1 54 H 19.267 20.790 38.429 1.00 20.54 ? 60 PHE H CB 1 ATOM 426 C CG . PHE A 1 54 H 17.848 20.584 37.932 1.00 23.19 ? 60 PHE H CG 1 ATOM 427 C CD1 . PHE A 1 54 H 16.940 19.829 38.680 1.00 20.21 ? 60 PHE H CD1 1 ATOM 428 C CD2 . PHE A 1 54 H 17.428 21.136 36.701 1.00 20.67 ? 60 PHE H CD2 1 ATOM 429 C CE1 . PHE A 1 54 H 15.640 19.613 38.233 1.00 20.82 ? 60 PHE H CE1 1 ATOM 430 C CE2 . PHE A 1 54 H 16.113 20.922 36.237 1.00 21.87 ? 60 PHE H CE2 1 ATOM 431 C CZ . PHE A 1 54 H 15.217 20.150 37.018 1.00 21.79 ? 60 PHE H CZ 1 ATOM 432 N N . THR A 1 55 I 20.796 20.348 41.022 1.00 21.45 ? 60 THR H N 1 ATOM 433 C CA . THR A 1 55 I 22.050 20.014 41.648 1.00 21.40 ? 60 THR H CA 1 ATOM 434 C C . THR A 1 55 I 22.543 18.682 41.022 1.00 20.02 ? 60 THR H C 1 ATOM 435 O O . THR A 1 55 I 21.757 17.976 40.365 1.00 20.31 ? 60 THR H O 1 ATOM 436 C CB . THR A 1 55 I 21.879 19.876 43.195 1.00 21.69 ? 60 THR H CB 1 ATOM 437 O OG1 . THR A 1 55 I 23.165 19.991 43.793 1.00 24.21 ? 60 THR H OG1 1 ATOM 438 C CG2 . THR A 1 55 I 21.305 18.485 43.604 1.00 20.35 ? 60 THR H CG2 1 ATOM 439 N N . GLU A 1 56 ? 23.818 18.358 41.223 1.00 18.27 ? 61 GLU H N 1 ATOM 440 C CA . GLU A 1 56 ? 24.361 17.115 40.707 1.00 20.07 ? 61 GLU H CA 1 ATOM 441 C C . GLU A 1 56 ? 23.552 15.903 41.078 1.00 21.83 ? 61 GLU H C 1 ATOM 442 O O . GLU A 1 56 ? 23.321 15.047 40.201 1.00 21.54 ? 61 GLU H O 1 ATOM 443 C CB . GLU A 1 56 ? 25.795 16.914 41.151 1.00 19.54 ? 61 GLU H CB 1 ATOM 444 C CG . GLU A 1 56 ? 26.692 17.943 40.473 1.00 22.11 ? 61 GLU H CG 1 ATOM 445 C CD . GLU A 1 56 ? 26.844 19.238 41.291 1.00 25.15 ? 61 GLU H CD 1 ATOM 446 O OE1 . GLU A 1 56 ? 26.044 19.433 42.244 1.00 26.42 ? 61 GLU H OE1 1 ATOM 447 O OE2 . GLU A 1 56 ? 27.752 20.053 40.981 1.00 22.89 ? 61 GLU H OE2 1 ATOM 448 N N . ASN A 1 57 ? 23.056 15.832 42.321 1.00 21.70 ? 62 ASN H N 1 ATOM 449 C CA . ASN A 1 57 ? 22.298 14.636 42.700 1.00 23.92 ? 62 ASN H CA 1 ATOM 450 C C . ASN A 1 57 ? 20.907 14.478 42.091 1.00 23.27 ? 62 ASN H C 1 ATOM 451 O O . ASN A 1 57 ? 20.319 13.400 42.201 1.00 20.89 ? 62 ASN H O 1 ATOM 452 C CB . ASN A 1 57 ? 22.157 14.506 44.222 1.00 27.64 ? 62 ASN H CB 1 ATOM 453 C CG . ASN A 1 57 ? 23.454 14.096 44.916 1.00 32.58 ? 62 ASN H CG 1 ATOM 454 O OD1 . ASN A 1 57 ? 23.509 14.117 46.153 1.00 35.88 ? 62 ASN H OD1 1 ATOM 455 N ND2 . ASN A 1 57 ? 24.499 13.723 44.146 1.00 33.09 ? 62 ASN H ND2 1 ATOM 456 N N . ASP A 1 58 ? 20.376 15.541 41.475 1.00 22.79 ? 63 ASP H N 1 ATOM 457 C CA . ASP A 1 58 ? 19.056 15.481 40.849 1.00 22.28 ? 63 ASP H CA 1 ATOM 458 C C . ASP A 1 58 ? 19.070 14.889 39.449 1.00 20.95 ? 63 ASP H C 1 ATOM 459 O O . ASP A 1 58 ? 18.052 14.422 38.943 1.00 20.86 ? 63 ASP H O 1 ATOM 460 C CB . ASP A 1 58 ? 18.473 16.899 40.751 1.00 22.95 ? 63 ASP H CB 1 ATOM 461 C CG . ASP A 1 58 ? 18.446 17.601 42.097 1.00 24.18 ? 63 ASP H CG 1 ATOM 462 O OD1 . ASP A 1 58 ? 18.184 16.924 43.111 1.00 24.88 ? 63 ASP H OD1 1 ATOM 463 O OD2 . ASP A 1 58 ? 18.668 18.820 42.136 1.00 24.70 ? 63 ASP H OD2 1 ATOM 464 N N . LEU A 1 59 ? 20.247 14.894 38.846 1.00 20.91 ? 64 LEU H N 1 ATOM 465 C CA . LEU A 1 59 ? 20.422 14.490 37.464 1.00 20.04 ? 64 LEU H CA 1 ATOM 466 C C . LEU A 1 59 ? 21.105 13.184 37.119 1.00 21.05 ? 64 LEU H C 1 ATOM 467 O O . LEU A 1 59 ? 21.808 12.595 37.944 1.00 21.10 ? 64 LEU H O 1 ATOM 468 C CB . LEU A 1 59 ? 21.192 15.615 36.768 1.00 18.92 ? 64 LEU H CB 1 ATOM 469 C CG . LEU A 1 59 ? 20.642 16.976 37.231 1.00 20.98 ? 64 LEU H CG 1 ATOM 470 C CD1 . LEU A 1 59 ? 21.561 18.115 36.923 1.00 18.69 ? 64 LEU H CD1 1 ATOM 471 C CD2 . LEU A 1 59 ? 19.306 17.187 36.592 1.00 21.94 ? 64 LEU H CD2 1 ATOM 472 N N . LEU A 1 60 ? 20.880 12.760 35.863 1.00 21.21 ? 65 LEU H N 1 ATOM 473 C CA . LEU A 1 60 ? 21.510 11.593 35.254 1.00 21.90 ? 65 LEU H CA 1 ATOM 474 C C . LEU A 1 60 ? 21.753 11.991 33.839 1.00 22.07 ? 65 LEU H C 1 ATOM 475 O O . LEU A 1 60 ? 21.053 12.838 33.300 1.00 22.65 ? 65 LEU H O 1 ATOM 476 C CB . LEU A 1 60 ? 20.614 10.367 35.212 1.00 22.98 ? 65 LEU H CB 1 ATOM 477 C CG . LEU A 1 60 ? 20.520 9.731 36.586 1.00 24.81 ? 65 LEU H CG 1 ATOM 478 C CD1 . LEU A 1 60 ? 19.699 8.455 36.484 1.00 24.54 ? 65 LEU H CD1 1 ATOM 479 C CD2 . LEU A 1 60 ? 21.910 9.443 37.113 1.00 25.81 ? 65 LEU H CD2 1 ATOM 480 N N . VAL A 1 61 ? 22.734 11.339 33.239 1.00 21.17 ? 66 VAL H N 1 ATOM 481 C CA . VAL A 1 61 ? 23.128 11.565 31.885 1.00 19.08 ? 66 VAL H CA 1 ATOM 482 C C . VAL A 1 61 ? 22.958 10.215 31.164 1.00 18.03 ? 66 VAL H C 1 ATOM 483 O O . VAL A 1 61 ? 23.378 9.175 31.640 1.00 19.35 ? 66 VAL H O 1 ATOM 484 C CB . VAL A 1 61 ? 24.567 12.152 31.890 1.00 19.21 ? 66 VAL H CB 1 ATOM 485 C CG1 . VAL A 1 61 ? 25.435 11.476 30.955 1.00 19.89 ? 66 VAL H CG1 1 ATOM 486 C CG2 . VAL A 1 61 ? 24.495 13.651 31.567 1.00 19.85 ? 66 VAL H CG2 1 ATOM 487 N N . ARG A 1 62 ? 22.305 10.238 30.025 1.00 15.23 ? 67 ARG H N 1 ATOM 488 C CA . ARG A 1 62 ? 22.083 9.024 29.271 1.00 14.58 ? 67 ARG H CA 1 ATOM 489 C C . ARG A 1 62 ? 22.816 9.216 27.938 1.00 14.68 ? 67 ARG H C 1 ATOM 490 O O . ARG A 1 62 ? 22.505 10.093 27.138 1.00 12.11 ? 67 ARG H O 1 ATOM 491 C CB . ARG A 1 62 ? 20.559 8.759 29.122 1.00 14.14 ? 67 ARG H CB 1 ATOM 492 C CG . ARG A 1 62 ? 19.871 8.555 30.543 1.00 13.43 ? 67 ARG H CG 1 ATOM 493 C CD . ARG A 1 62 ? 18.403 8.299 30.517 1.00 15.14 ? 67 ARG H CD 1 ATOM 494 N NE . ARG A 1 62 ? 18.069 7.082 29.796 1.00 16.69 ? 67 ARG H NE 1 ATOM 495 C CZ . ARG A 1 62 ? 16.829 6.625 29.661 1.00 18.60 ? 67 ARG H CZ 1 ATOM 496 N NH1 . ARG A 1 62 ? 15.823 7.314 30.205 1.00 18.94 ? 67 ARG H NH1 1 ATOM 497 N NH2 . ARG A 1 62 ? 16.598 5.491 29.010 1.00 15.30 ? 67 ARG H NH2 1 ATOM 498 N N . ILE A 1 63 ? 23.841 8.393 27.791 1.00 14.25 ? 68 ILE H N 1 ATOM 499 C CA . ILE A 1 63 ? 24.739 8.405 26.686 1.00 15.03 ? 68 ILE H CA 1 ATOM 500 C C . ILE A 1 63 ? 24.506 7.227 25.764 1.00 15.62 ? 68 ILE H C 1 ATOM 501 O O . ILE A 1 63 ? 24.323 6.100 26.240 1.00 18.00 ? 68 ILE H O 1 ATOM 502 C CB . ILE A 1 63 ? 26.192 8.342 27.246 1.00 14.22 ? 68 ILE H CB 1 ATOM 503 C CG1 . ILE A 1 63 ? 26.393 9.424 28.319 1.00 15.18 ? 68 ILE H CG1 1 ATOM 504 C CG2 . ILE A 1 63 ? 27.215 8.567 26.146 1.00 12.56 ? 68 ILE H CG2 1 ATOM 505 C CD1 . ILE A 1 63 ? 27.853 9.383 28.988 1.00 13.65 ? 68 ILE H CD1 1 ATOM 506 N N . GLY A 1 64 ? 24.555 7.476 24.458 1.00 14.45 ? 69 GLY H N 1 ATOM 507 C CA . GLY A 1 64 ? 24.352 6.418 23.467 1.00 13.72 ? 69 GLY H CA 1 ATOM 508 C C . GLY A 1 64 ? 22.913 6.125 23.102 1.00 13.99 ? 69 GLY H C 1 ATOM 509 O O . GLY A 1 64 ? 22.646 5.091 22.518 1.00 16.06 ? 69 GLY H O 1 ATOM 510 N N . LYS A 1 65 ? 21.976 7.032 23.368 1.00 12.94 ? 70 LYS H N 1 ATOM 511 C CA . LYS A 1 65 ? 20.599 6.706 23.090 1.00 13.26 ? 70 LYS H CA 1 ATOM 512 C C . LYS A 1 65 ? 20.165 7.022 21.670 1.00 14.38 ? 70 LYS H C 1 ATOM 513 O O . LYS A 1 65 ? 20.877 7.751 20.919 1.00 14.42 ? 70 LYS H O 1 ATOM 514 C CB . LYS A 1 65 ? 19.689 7.420 24.093 1.00 14.40 ? 70 LYS H CB 1 ATOM 515 C CG . LYS A 1 65 ? 19.820 6.923 25.522 1.00 14.10 ? 70 LYS H CG 1 ATOM 516 C CD . LYS A 1 65 ? 18.643 7.326 26.466 1.00 14.63 ? 70 LYS H CD 1 ATOM 517 C CE . LYS A 1 65 ? 17.257 6.818 25.931 1.00 15.72 ? 70 LYS H CE 1 ATOM 518 N NZ . LYS A 1 65 ? 17.337 5.383 25.532 1.00 16.90 ? 70 LYS H NZ 1 ATOM 519 N N . HIS A 1 66 ? 19.061 6.383 21.268 1.00 12.35 ? 71 HIS H N 1 ATOM 520 C CA . HIS A 1 66 ? 18.428 6.621 19.961 1.00 13.08 ? 71 HIS H CA 1 ATOM 521 C C . HIS A 1 66 ? 16.923 6.853 20.244 1.00 13.24 ? 71 HIS H C 1 ATOM 522 O O . HIS A 1 66 ? 16.361 7.929 19.935 1.00 13.67 ? 71 HIS H O 1 ATOM 523 C CB . HIS A 1 66 ? 18.621 5.437 19.030 1.00 14.55 ? 71 HIS H CB 1 ATOM 524 C CG . HIS A 1 66 ? 18.051 5.663 17.668 1.00 15.51 ? 71 HIS H CG 1 ATOM 525 N ND1 . HIS A 1 66 ? 16.970 4.960 17.180 1.00 14.87 ? 71 HIS H ND1 1 ATOM 526 C CD2 . HIS A 1 66 ? 18.415 6.524 16.686 1.00 14.79 ? 71 HIS H CD2 1 ATOM 527 C CE1 . HIS A 1 66 ? 16.688 5.382 15.959 1.00 13.16 ? 71 HIS H CE1 1 ATOM 528 N NE2 . HIS A 1 66 ? 17.550 6.331 15.637 1.00 15.12 ? 71 HIS H NE2 1 ATOM 529 N N . SER A 1 67 ? 16.300 5.859 20.896 1.00 13.41 ? 72 SER H N 1 ATOM 530 C CA . SER A 1 67 ? 14.916 5.941 21.287 1.00 13.61 ? 72 SER H CA 1 ATOM 531 C C . SER A 1 67 ? 14.825 6.997 22.425 1.00 15.31 ? 72 SER H C 1 ATOM 532 O O . SER A 1 67 ? 15.721 7.096 23.297 1.00 15.60 ? 72 SER H O 1 ATOM 533 C CB . SER A 1 67 ? 14.427 4.594 21.829 1.00 14.89 ? 72 SER H CB 1 ATOM 534 O OG . SER A 1 67 ? 13.291 4.809 22.676 1.00 16.39 ? 72 SER H OG 1 ATOM 535 N N . ARG A 1 68 ? 13.763 7.788 22.397 1.00 15.15 ? 73 ARG H N 1 ATOM 536 C CA . ARG A 1 68 ? 13.561 8.809 23.392 1.00 16.78 ? 73 ARG H CA 1 ATOM 537 C C . ARG A 1 68 ? 13.171 8.228 24.713 1.00 17.54 ? 73 ARG H C 1 ATOM 538 O O . ARG A 1 68 ? 13.590 8.745 25.728 1.00 18.86 ? 73 ARG H O 1 ATOM 539 C CB . ARG A 1 68 ? 12.461 9.801 22.979 1.00 17.45 ? 73 ARG H CB 1 ATOM 540 C CG . ARG A 1 68 ? 12.194 10.951 24.004 1.00 17.27 ? 73 ARG H CG 1 ATOM 541 C CD . ARG A 1 68 ? 11.222 11.992 23.449 1.00 19.80 ? 73 ARG H CD 1 ATOM 542 N NE . ARG A 1 68 ? 9.893 11.394 23.228 1.00 23.20 ? 73 ARG H NE 1 ATOM 543 C CZ . ARG A 1 68 ? 8.973 11.300 24.182 1.00 22.84 ? 73 ARG H CZ 1 ATOM 544 N NH1 . ARG A 1 68 ? 9.242 11.779 25.381 1.00 26.07 ? 73 ARG H NH1 1 ATOM 545 N NH2 . ARG A 1 68 ? 7.823 10.698 23.971 1.00 21.95 ? 73 ARG H NH2 1 ATOM 546 N N . THR A 1 69 ? 12.409 7.140 24.700 1.00 17.67 ? 74 THR H N 1 ATOM 547 C CA . THR A 1 69 ? 11.878 6.596 25.938 1.00 16.95 ? 74 THR H CA 1 ATOM 548 C C . THR A 1 69 ? 12.218 5.170 26.387 1.00 17.80 ? 74 THR H C 1 ATOM 549 O O . THR A 1 69 ? 12.277 4.919 27.607 1.00 15.77 ? 74 THR H O 1 ATOM 550 C CB . THR A 1 69 ? 10.334 6.749 25.922 1.00 17.56 ? 74 THR H CB 1 ATOM 551 O OG1 . THR A 1 69 ? 9.772 5.888 24.932 1.00 19.31 ? 74 THR H OG1 1 ATOM 552 C CG2 . THR A 1 69 ? 9.931 8.194 25.568 1.00 17.81 ? 74 THR H CG2 1 ATOM 553 N N . ARG A 1 70 ? 12.413 4.213 25.476 1.00 16.97 ? 75 ARG H N 1 ATOM 554 C CA . ARG A 1 70 ? 12.745 2.913 26.018 1.00 18.98 ? 75 ARG H CA 1 ATOM 555 C C . ARG A 1 70 ? 14.221 2.850 26.446 1.00 18.56 ? 75 ARG H C 1 ATOM 556 O O . ARG A 1 70 ? 15.109 3.512 25.870 1.00 18.63 ? 75 ARG H O 1 ATOM 557 C CB . ARG A 1 70 ? 12.384 1.718 25.077 1.00 20.67 ? 75 ARG H CB 1 ATOM 558 C CG . ARG A 1 70 ? 12.686 1.786 23.536 1.00 23.15 ? 75 ARG H CG 1 ATOM 559 C CD . ARG A 1 70 ? 12.477 0.475 22.812 1.00 22.34 ? 75 ARG H CD 1 ATOM 560 N NE . ARG A 1 70 ? 13.078 -0.621 23.590 1.00 17.50 ? 75 ARG H NE 1 ATOM 561 C CZ . ARG A 1 70 ? 14.145 -1.325 23.271 1.00 20.12 ? 75 ARG H CZ 1 ATOM 562 N NH1 . ARG A 1 70 ? 14.766 -1.083 22.125 1.00 15.94 ? 75 ARG H NH1 1 ATOM 563 N NH2 . ARG A 1 70 ? 14.608 -2.259 24.094 1.00 17.16 ? 75 ARG H NH2 1 ATOM 564 N N . TYR A 1 71 ? 14.458 2.057 27.481 1.00 17.54 ? 76 TYR H N 1 ATOM 565 C CA . TYR A 1 71 ? 15.800 1.862 28.054 1.00 17.26 ? 76 TYR H CA 1 ATOM 566 C C . TYR A 1 71 ? 16.560 0.962 27.081 1.00 15.81 ? 76 TYR H C 1 ATOM 567 O O . TYR A 1 71 ? 16.209 -0.224 26.943 1.00 15.66 ? 76 TYR H O 1 ATOM 568 C CB . TYR A 1 71 ? 15.669 1.172 29.403 1.00 17.75 ? 76 TYR H CB 1 ATOM 569 C CG . TYR A 1 71 ? 16.998 0.872 30.035 1.00 18.71 ? 76 TYR H CG 1 ATOM 570 C CD1 . TYR A 1 71 ? 17.878 1.931 30.389 1.00 18.55 ? 76 TYR H CD1 1 ATOM 571 C CD2 . TYR A 1 71 ? 17.416 -0.448 30.258 1.00 15.49 ? 76 TYR H CD2 1 ATOM 572 C CE1 . TYR A 1 71 ? 19.144 1.680 30.932 1.00 17.87 ? 76 TYR H CE1 1 ATOM 573 C CE2 . TYR A 1 71 ? 18.721 -0.717 30.820 1.00 17.67 ? 76 TYR H CE2 1 ATOM 574 C CZ . TYR A 1 71 ? 19.560 0.365 31.139 1.00 17.14 ? 76 TYR H CZ 1 ATOM 575 O OH . TYR A 1 71 ? 20.816 0.180 31.621 1.00 18.50 ? 76 TYR H OH 1 ATOM 576 N N . GLU A 1 72 ? 17.564 1.520 26.393 1.00 14.46 ? 77 GLU H N 1 ATOM 577 C CA . GLU A 1 72 ? 18.315 0.745 25.384 1.00 13.86 ? 77 GLU H CA 1 ATOM 578 C C . GLU A 1 72 ? 19.425 -0.062 26.080 1.00 14.62 ? 77 GLU H C 1 ATOM 579 O O . GLU A 1 72 ? 20.611 0.289 26.101 1.00 14.84 ? 77 GLU H O 1 ATOM 580 C CB . GLU A 1 72 ? 18.794 1.699 24.300 1.00 12.27 ? 77 GLU H CB 1 ATOM 581 C CG . GLU A 1 72 ? 17.633 2.088 23.382 1.00 12.86 ? 77 GLU H CG 1 ATOM 582 C CD . GLU A 1 72 ? 17.878 3.379 22.584 1.00 15.51 ? 77 GLU H CD 1 ATOM 583 O OE1 . GLU A 1 72 ? 18.343 4.386 23.208 1.00 15.44 ? 77 GLU H OE1 1 ATOM 584 O OE2 . GLU A 1 72 ? 17.605 3.369 21.345 1.00 14.58 ? 77 GLU H OE2 1 ATOM 585 N N . ARG A 1 73 A 18.965 -1.158 26.674 1.00 16.01 ? 77 ARG H N 1 ATOM 586 C CA . ARG A 1 73 A 19.791 -2.022 27.487 1.00 16.71 ? 77 ARG H CA 1 ATOM 587 C C . ARG A 1 73 A 21.009 -2.504 26.777 1.00 15.14 ? 77 ARG H C 1 ATOM 588 O O . ARG A 1 73 A 20.932 -2.924 25.629 1.00 14.72 ? 77 ARG H O 1 ATOM 589 C CB . ARG A 1 73 A 18.986 -3.205 28.014 1.00 18.00 ? 77 ARG H CB 1 ATOM 590 C CG . ARG A 1 73 A 19.672 -3.921 29.124 1.00 19.07 ? 77 ARG H CG 1 ATOM 591 C CD . ARG A 1 73 A 19.005 -5.325 29.473 1.00 20.78 ? 77 ARG H CD 1 ATOM 592 N NE . ARG A 1 73 A 19.566 -5.779 30.741 1.00 24.87 ? 77 ARG H NE 1 ATOM 593 C CZ . ARG A 1 73 A 19.120 -5.368 31.926 1.00 25.16 ? 77 ARG H CZ 1 ATOM 594 N NH1 . ARG A 1 73 A 18.070 -4.526 31.993 1.00 24.78 ? 77 ARG H NH1 1 ATOM 595 N NH2 . ARG A 1 73 A 19.784 -5.711 33.034 1.00 26.22 ? 77 ARG H NH2 1 ATOM 596 N N . ASN A 1 74 ? 22.119 -2.411 27.504 1.00 13.54 ? 78 ASN H N 1 ATOM 597 C CA . ASN A 1 74 ? 23.429 -2.781 27.055 1.00 16.13 ? 78 ASN H CA 1 ATOM 598 C C . ASN A 1 74 ? 23.943 -1.894 25.888 1.00 16.02 ? 78 ASN H C 1 ATOM 599 O O . ASN A 1 74 ? 24.927 -2.256 25.228 1.00 14.86 ? 78 ASN H O 1 ATOM 600 C CB . ASN A 1 74 ? 23.476 -4.284 26.672 1.00 16.87 ? 78 ASN H CB 1 ATOM 601 C CG . ASN A 1 74 ? 24.839 -4.938 27.059 1.00 22.36 ? 78 ASN H CG 1 ATOM 602 O OD1 . ASN A 1 74 ? 25.619 -4.372 27.865 1.00 22.62 ? 78 ASN H OD1 1 ATOM 603 N ND2 . ASN A 1 74 ? 25.110 -6.122 26.525 1.00 23.24 ? 78 ASN H ND2 1 ATOM 604 N N . ILE A 1 75 ? 23.280 -0.751 25.647 1.00 14.86 ? 79 ILE H N 1 ATOM 605 C CA . ILE A 1 75 ? 23.682 0.178 24.595 1.00 13.92 ? 79 ILE H CA 1 ATOM 606 C C . ILE A 1 75 ? 23.953 1.526 25.202 1.00 14.99 ? 79 ILE H C 1 ATOM 607 O O . ILE A 1 75 ? 25.017 2.071 25.049 1.00 17.29 ? 79 ILE H O 1 ATOM 608 C CB . ILE A 1 75 ? 22.602 0.363 23.562 1.00 13.48 ? 79 ILE H CB 1 ATOM 609 C CG1 . ILE A 1 75 ? 22.290 -0.975 22.942 1.00 14.80 ? 79 ILE H CG1 1 ATOM 610 C CG2 . ILE A 1 75 ? 23.058 1.387 22.469 1.00 12.56 ? 79 ILE H CG2 1 ATOM 611 C CD1 . ILE A 1 75 ? 20.845 -1.005 22.382 1.00 18.23 ? 79 ILE H CD1 1 ATOM 612 N N . GLU A 1 76 ? 22.967 2.073 25.897 1.00 15.85 ? 80 GLU H N 1 ATOM 613 C CA . GLU A 1 76 ? 23.127 3.350 26.498 1.00 15.13 ? 80 GLU H CA 1 ATOM 614 C C . GLU A 1 76 ? 23.822 3.158 27.819 1.00 16.50 ? 80 GLU H C 1 ATOM 615 O O . GLU A 1 76 ? 23.778 2.064 28.373 1.00 16.19 ? 80 GLU H O 1 ATOM 616 C CB . GLU A 1 76 ? 21.751 4.027 26.683 1.00 15.55 ? 80 GLU H CB 1 ATOM 617 C CG . GLU A 1 76 ? 20.826 3.381 27.728 1.00 14.99 ? 80 GLU H CG 1 ATOM 618 C CD . GLU A 1 76 ? 19.539 4.192 27.998 1.00 16.22 ? 80 GLU H CD 1 ATOM 619 O OE1 . GLU A 1 76 ? 19.580 5.061 28.894 1.00 13.27 ? 80 GLU H OE1 1 ATOM 620 O OE2 . GLU A 1 76 ? 18.482 3.970 27.334 1.00 17.44 ? 80 GLU H OE2 1 ATOM 621 N N . LYS A 1 77 ? 24.496 4.206 28.296 1.00 16.71 ? 81 LYS H N 1 ATOM 622 C CA . LYS A 1 77 ? 25.128 4.198 29.592 1.00 18.79 ? 81 LYS H CA 1 ATOM 623 C C . LYS A 1 77 ? 24.492 5.317 30.399 1.00 18.68 ? 81 LYS H C 1 ATOM 624 O O . LYS A 1 77 ? 24.323 6.442 29.920 1.00 17.55 ? 81 LYS H O 1 ATOM 625 C CB . LYS A 1 77 ? 26.633 4.467 29.519 1.00 21.93 ? 81 LYS H CB 1 ATOM 626 C CG . LYS A 1 77 ? 27.442 3.195 29.618 1.00 29.36 ? 81 LYS H CG 1 ATOM 627 C CD . LYS A 1 77 ? 27.071 2.273 28.451 1.00 30.81 ? 81 LYS H CD 1 ATOM 628 C CE . LYS A 1 77 ? 27.805 0.949 28.430 1.00 34.26 ? 81 LYS H CE 1 ATOM 629 N NZ . LYS A 1 77 ? 27.415 0.223 27.174 1.00 36.64 ? 81 LYS H NZ 1 ATOM 630 N N . ILE A 1 78 ? 24.162 5.019 31.640 1.00 18.12 ? 82 ILE H N 1 ATOM 631 C CA . ILE A 1 78 ? 23.574 6.034 32.486 1.00 19.36 ? 82 ILE H CA 1 ATOM 632 C C . ILE A 1 78 ? 24.668 6.450 33.450 1.00 20.71 ? 82 ILE H C 1 ATOM 633 O O . ILE A 1 78 ? 25.220 5.597 34.134 1.00 21.44 ? 82 ILE H O 1 ATOM 634 C CB . ILE A 1 78 ? 22.338 5.468 33.229 1.00 18.00 ? 82 ILE H CB 1 ATOM 635 C CG1 . ILE A 1 78 ? 21.340 4.947 32.171 1.00 17.38 ? 82 ILE H CG1 1 ATOM 636 C CG2 . ILE A 1 78 ? 21.729 6.542 34.115 1.00 17.53 ? 82 ILE H CG2 1 ATOM 637 C CD1 . ILE A 1 78 ? 19.926 4.741 32.613 1.00 18.56 ? 82 ILE H CD1 1 ATOM 638 N N . SER A 1 79 ? 25.009 7.742 33.483 1.00 19.90 ? 83 SER H N 1 ATOM 639 C CA . SER A 1 79 ? 26.035 8.212 34.413 1.00 19.08 ? 83 SER H CA 1 ATOM 640 C C . SER A 1 79 ? 25.585 9.311 35.392 1.00 18.15 ? 83 SER H C 1 ATOM 641 O O . SER A 1 79 ? 24.817 10.219 35.061 1.00 16.65 ? 83 SER H O 1 ATOM 642 C CB . SER A 1 79 ? 27.281 8.746 33.676 1.00 17.23 ? 83 SER H CB 1 ATOM 643 O OG . SER A 1 79 ? 27.793 7.811 32.767 1.00 22.14 ? 83 SER H OG 1 ATOM 644 N N . MET A 1 80 ? 26.129 9.226 36.590 1.00 17.38 ? 84 MET H N 1 ATOM 645 C CA . MET A 1 80 ? 25.908 10.209 37.624 1.00 18.96 ? 84 MET H CA 1 ATOM 646 C C . MET A 1 80 ? 26.875 11.400 37.425 1.00 17.78 ? 84 MET H C 1 ATOM 647 O O . MET A 1 80 ? 27.931 11.281 36.796 1.00 17.59 ? 84 MET H O 1 ATOM 648 C CB . MET A 1 80 ? 26.142 9.551 38.990 1.00 21.41 ? 84 MET H CB 1 ATOM 649 C CG . MET A 1 80 ? 25.039 8.539 39.346 1.00 26.41 ? 84 MET H CG 1 ATOM 650 S SD . MET A 1 80 ? 25.524 7.541 40.849 1.00 32.72 ? 84 MET H SD 1 ATOM 651 C CE . MET A 1 80 ? 25.152 8.763 42.113 1.00 28.70 ? 84 MET H CE 1 ATOM 652 N N . LEU A 1 81 ? 26.509 12.546 37.957 1.00 16.68 ? 85 LEU H N 1 ATOM 653 C CA . LEU A 1 81 ? 27.363 13.704 37.843 1.00 18.75 ? 85 LEU H CA 1 ATOM 654 C C . LEU A 1 81 ? 28.209 13.880 39.097 1.00 20.09 ? 85 LEU H C 1 ATOM 655 O O . LEU A 1 81 ? 27.700 13.804 40.233 1.00 19.76 ? 85 LEU H O 1 ATOM 656 C CB . LEU A 1 81 ? 26.527 14.965 37.639 1.00 18.16 ? 85 LEU H CB 1 ATOM 657 C CG . LEU A 1 81 ? 25.566 14.836 36.477 1.00 20.53 ? 85 LEU H CG 1 ATOM 658 C CD1 . LEU A 1 81 ? 24.835 16.174 36.298 1.00 21.22 ? 85 LEU H CD1 1 ATOM 659 C CD2 . LEU A 1 81 ? 26.411 14.494 35.201 1.00 21.75 ? 85 LEU H CD2 1 ATOM 660 N N . GLU A 1 82 ? 29.501 14.080 38.893 1.00 19.96 ? 86 GLU H N 1 ATOM 661 C CA . GLU A 1 82 ? 30.372 14.338 40.015 1.00 21.29 ? 86 GLU H CA 1 ATOM 662 C C . GLU A 1 82 ? 30.292 15.841 40.283 1.00 21.39 ? 86 GLU H C 1 ATOM 663 O O . GLU A 1 82 ? 30.263 16.299 41.441 1.00 19.54 ? 86 GLU H O 1 ATOM 664 C CB . GLU A 1 82 ? 31.819 13.959 39.690 1.00 23.19 ? 86 GLU H CB 1 ATOM 665 C CG . GLU A 1 82 ? 32.696 13.972 40.908 1.00 29.17 ? 86 GLU H CG 1 ATOM 666 C CD . GLU A 1 82 ? 34.163 14.022 40.530 1.00 34.99 ? 86 GLU H CD 1 ATOM 667 O OE1 . GLU A 1 82 ? 34.699 13.006 39.980 1.00 38.12 ? 86 GLU H OE1 1 ATOM 668 O OE2 . GLU A 1 82 ? 34.799 15.088 40.771 1.00 37.82 ? 86 GLU H OE2 1 ATOM 669 N N . LYS A 1 83 ? 30.256 16.616 39.202 1.00 19.58 ? 87 LYS H N 1 ATOM 670 C CA . LYS A 1 83 ? 30.215 18.057 39.344 1.00 21.19 ? 87 LYS H CA 1 ATOM 671 C C . LYS A 1 83 ? 29.623 18.722 38.144 1.00 18.94 ? 87 LYS H C 1 ATOM 672 O O . LYS A 1 83 ? 29.737 18.213 37.044 1.00 19.36 ? 87 LYS H O 1 ATOM 673 C CB . LYS A 1 83 ? 31.634 18.627 39.567 1.00 23.94 ? 87 LYS H CB 1 ATOM 674 C CG . LYS A 1 83 ? 32.005 18.663 41.062 1.00 30.63 ? 87 LYS H CG 1 ATOM 675 C CD . LYS A 1 83 ? 33.491 18.899 41.342 1.00 32.45 ? 87 LYS H CD 1 ATOM 676 C CE . LYS A 1 83 ? 33.917 18.451 42.751 1.00 33.23 ? 87 LYS H CE 1 ATOM 677 N NZ . LYS A 1 83 ? 33.897 16.949 42.996 1.00 33.04 ? 87 LYS H NZ 1 ATOM 678 N N . ILE A 1 84 ? 28.981 19.854 38.406 1.00 17.39 ? 88 ILE H N 1 ATOM 679 C CA . ILE A 1 84 ? 28.373 20.726 37.425 1.00 15.78 ? 88 ILE H CA 1 ATOM 680 C C . ILE A 1 84 ? 29.119 22.062 37.511 1.00 15.97 ? 88 ILE H C 1 ATOM 681 O O . ILE A 1 84 ? 29.325 22.605 38.590 1.00 17.80 ? 88 ILE H O 1 ATOM 682 C CB . ILE A 1 84 ? 26.884 20.958 37.753 1.00 16.23 ? 88 ILE H CB 1 ATOM 683 C CG1 . ILE A 1 84 ? 26.079 19.756 37.297 1.00 15.74 ? 88 ILE H CG1 1 ATOM 684 C CG2 . ILE A 1 84 ? 26.341 22.220 37.036 1.00 17.05 ? 88 ILE H CG2 1 ATOM 685 C CD1 . ILE A 1 84 ? 24.725 19.819 37.845 1.00 15.46 ? 88 ILE H CD1 1 ATOM 686 N N . TYR A 1 85 ? 29.550 22.589 36.380 1.00 15.04 ? 89 TYR H N 1 ATOM 687 C CA . TYR A 1 85 ? 30.230 23.877 36.352 1.00 14.07 ? 89 TYR H CA 1 ATOM 688 C C . TYR A 1 85 ? 29.483 24.790 35.397 1.00 14.09 ? 89 TYR H C 1 ATOM 689 O O . TYR A 1 85 ? 29.492 24.600 34.187 1.00 14.61 ? 89 TYR H O 1 ATOM 690 C CB . TYR A 1 85 ? 31.683 23.724 35.860 1.00 12.14 ? 89 TYR H CB 1 ATOM 691 C CG . TYR A 1 85 ? 32.585 23.043 36.845 1.00 11.88 ? 89 TYR H CG 1 ATOM 692 C CD1 . TYR A 1 85 ? 32.943 23.672 38.045 1.00 12.58 ? 89 TYR H CD1 1 ATOM 693 C CD2 . TYR A 1 85 ? 33.070 21.754 36.611 1.00 12.16 ? 89 TYR H CD2 1 ATOM 694 C CE1 . TYR A 1 85 ? 33.744 23.030 38.996 1.00 11.48 ? 89 TYR H CE1 1 ATOM 695 C CE2 . TYR A 1 85 ? 33.913 21.112 37.546 1.00 10.59 ? 89 TYR H CE2 1 ATOM 696 C CZ . TYR A 1 85 ? 34.225 21.764 38.731 1.00 11.84 ? 89 TYR H CZ 1 ATOM 697 O OH . TYR A 1 85 ? 35.004 21.135 39.683 1.00 16.55 ? 89 TYR H OH 1 ATOM 698 N N . ILE A 1 86 ? 28.842 25.798 35.937 1.00 15.11 ? 90 ILE H N 1 ATOM 699 C CA . ILE A 1 86 ? 28.142 26.744 35.102 1.00 14.96 ? 90 ILE H CA 1 ATOM 700 C C . ILE A 1 86 ? 29.060 27.915 34.803 1.00 15.82 ? 90 ILE H C 1 ATOM 701 O O . ILE A 1 86 ? 29.829 28.313 35.664 1.00 14.00 ? 90 ILE H O 1 ATOM 702 C CB . ILE A 1 86 ? 26.877 27.145 35.794 1.00 13.54 ? 90 ILE H CB 1 ATOM 703 C CG1 . ILE A 1 86 ? 26.008 25.893 35.802 1.00 15.99 ? 90 ILE H CG1 1 ATOM 704 C CG2 . ILE A 1 86 ? 26.230 28.355 35.109 1.00 12.02 ? 90 ILE H CG2 1 ATOM 705 C CD1 . ILE A 1 86 ? 24.667 25.998 36.417 1.00 17.06 ? 90 ILE H CD1 1 ATOM 706 N N . HIS A 1 87 ? 29.026 28.447 33.575 1.00 16.52 ? 91 HIS H N 1 ATOM 707 C CA . HIS A 1 87 ? 29.924 29.575 33.277 1.00 17.28 ? 91 HIS H CA 1 ATOM 708 C C . HIS A 1 87 ? 29.640 30.644 34.362 1.00 18.57 ? 91 HIS H C 1 ATOM 709 O O . HIS A 1 87 ? 28.490 30.942 34.648 1.00 16.62 ? 91 HIS H O 1 ATOM 710 C CB . HIS A 1 87 ? 29.685 30.162 31.888 1.00 16.11 ? 91 HIS H CB 1 ATOM 711 C CG . HIS A 1 87 ? 30.775 31.097 31.434 1.00 16.48 ? 91 HIS H CG 1 ATOM 712 N ND1 . HIS A 1 87 ? 30.971 32.346 31.995 1.00 18.06 ? 91 HIS H ND1 1 ATOM 713 C CD2 . HIS A 1 87 ? 31.737 30.962 30.474 1.00 16.17 ? 91 HIS H CD2 1 ATOM 714 C CE1 . HIS A 1 87 ? 31.995 32.944 31.398 1.00 16.51 ? 91 HIS H CE1 1 ATOM 715 N NE2 . HIS A 1 87 ? 32.479 32.130 30.473 1.00 15.62 ? 91 HIS H NE2 1 ATOM 716 N N . PRO A 1 88 ? 30.694 31.236 34.965 1.00 19.06 ? 92 PRO H N 1 ATOM 717 C CA . PRO A 1 88 ? 30.418 32.229 36.008 1.00 18.82 ? 92 PRO H CA 1 ATOM 718 C C . PRO A 1 88 ? 29.816 33.546 35.516 1.00 19.55 ? 92 PRO H C 1 ATOM 719 O O . PRO A 1 88 ? 29.346 34.347 36.317 1.00 19.85 ? 92 PRO H O 1 ATOM 720 C CB . PRO A 1 88 ? 31.771 32.378 36.721 1.00 18.97 ? 92 PRO H CB 1 ATOM 721 C CG . PRO A 1 88 ? 32.736 32.177 35.670 1.00 19.62 ? 92 PRO H CG 1 ATOM 722 C CD . PRO A 1 88 ? 32.141 31.060 34.777 1.00 19.43 ? 92 PRO H CD 1 ATOM 723 N N . ARG A 1 89 ? 29.787 33.745 34.208 1.00 18.22 ? 93 ARG H N 1 ATOM 724 C CA . ARG A 1 89 ? 29.184 34.945 33.696 1.00 19.86 ? 93 ARG H CA 1 ATOM 725 C C . ARG A 1 89 ? 27.910 34.700 32.860 1.00 18.67 ? 93 ARG H C 1 ATOM 726 O O . ARG A 1 89 ? 27.515 35.553 32.084 1.00 15.21 ? 93 ARG H O 1 ATOM 727 C CB . ARG A 1 89 ? 30.223 35.759 32.922 1.00 22.57 ? 93 ARG H CB 1 ATOM 728 C CG . ARG A 1 89 ? 31.301 36.271 33.921 1.00 26.93 ? 93 ARG H CG 1 ATOM 729 C CD . ARG A 1 89 ? 31.888 37.565 33.476 1.00 31.67 ? 93 ARG H CD 1 ATOM 730 N NE . ARG A 1 89 ? 32.633 37.397 32.236 1.00 37.41 ? 93 ARG H NE 1 ATOM 731 C CZ . ARG A 1 89 ? 32.753 38.336 31.295 1.00 39.77 ? 93 ARG H CZ 1 ATOM 732 N NH1 . ARG A 1 89 ? 32.170 39.528 31.445 1.00 40.33 ? 93 ARG H NH1 1 ATOM 733 N NH2 . ARG A 1 89 ? 33.450 38.065 30.198 1.00 42.26 ? 93 ARG H NH2 1 ATOM 734 N N . TYR A 1 90 ? 27.298 33.518 33.038 1.00 17.77 ? 94 TYR H N 1 ATOM 735 C CA . TYR A 1 90 ? 26.054 33.161 32.365 1.00 16.04 ? 94 TYR H CA 1 ATOM 736 C C . TYR A 1 90 ? 24.998 34.214 32.741 1.00 16.45 ? 94 TYR H C 1 ATOM 737 O O . TYR A 1 90 ? 24.679 34.358 33.884 1.00 17.52 ? 94 TYR H O 1 ATOM 738 C CB . TYR A 1 90 ? 25.636 31.787 32.823 1.00 12.90 ? 94 TYR H CB 1 ATOM 739 C CG . TYR A 1 90 ? 24.164 31.445 32.724 1.00 12.74 ? 94 TYR H CG 1 ATOM 740 C CD1 . TYR A 1 90 ? 23.454 31.608 31.543 1.00 10.24 ? 94 TYR H CD1 1 ATOM 741 C CD2 . TYR A 1 90 ? 23.514 30.840 33.794 1.00 11.12 ? 94 TYR H CD2 1 ATOM 742 C CE1 . TYR A 1 90 ? 22.126 31.151 31.424 1.00 9.06 ? 94 TYR H CE1 1 ATOM 743 C CE2 . TYR A 1 90 ? 22.194 30.397 33.683 1.00 12.32 ? 94 TYR H CE2 1 ATOM 744 C CZ . TYR A 1 90 ? 21.504 30.559 32.478 1.00 9.78 ? 94 TYR H CZ 1 ATOM 745 O OH . TYR A 1 90 ? 20.208 30.080 32.366 1.00 10.70 ? 94 TYR H OH 1 ATOM 746 N N . ASN A 1 91 ? 24.496 34.977 31.775 1.00 17.24 ? 95 ASN H N 1 ATOM 747 C CA . ASN A 1 91 ? 23.489 36.021 32.034 1.00 16.04 ? 95 ASN H CA 1 ATOM 748 C C . ASN A 1 91 ? 22.089 35.421 31.841 1.00 16.63 ? 95 ASN H C 1 ATOM 749 O O . ASN A 1 91 ? 21.554 35.392 30.722 1.00 18.03 ? 95 ASN H O 1 ATOM 750 C CB . ASN A 1 91 ? 23.666 37.171 31.037 1.00 16.36 ? 95 ASN H CB 1 ATOM 751 C CG . ASN A 1 91 ? 23.053 38.456 31.520 1.00 18.39 ? 95 ASN H CG 1 ATOM 752 O OD1 . ASN A 1 91 ? 22.076 38.463 32.306 1.00 16.87 ? 95 ASN H OD1 1 ATOM 753 N ND2 . ASN A 1 91 ? 23.595 39.564 31.036 1.00 17.01 ? 95 ASN H ND2 1 ATOM 754 N N . TRP A 1 92 ? 21.490 34.943 32.920 1.00 17.20 ? 96 TRP H N 1 ATOM 755 C CA . TRP A 1 92 ? 20.190 34.326 32.830 1.00 17.52 ? 96 TRP H CA 1 ATOM 756 C C . TRP A 1 92 ? 19.096 35.366 32.827 1.00 19.20 ? 96 TRP H C 1 ATOM 757 O O . TRP A 1 92 ? 18.071 35.169 32.174 1.00 18.51 ? 96 TRP H O 1 ATOM 758 C CB . TRP A 1 92 ? 19.990 33.305 33.956 1.00 15.88 ? 96 TRP H CB 1 ATOM 759 C CG . TRP A 1 92 ? 20.319 33.865 35.362 1.00 19.18 ? 96 TRP H CG 1 ATOM 760 C CD1 . TRP A 1 92 ? 21.495 33.715 36.068 1.00 18.12 ? 96 TRP H CD1 1 ATOM 761 C CD2 . TRP A 1 92 ? 19.454 34.649 36.195 1.00 17.64 ? 96 TRP H CD2 1 ATOM 762 N NE1 . TRP A 1 92 ? 21.395 34.352 37.287 1.00 18.01 ? 96 TRP H NE1 1 ATOM 763 C CE2 . TRP A 1 92 ? 20.163 34.936 37.385 1.00 19.12 ? 96 TRP H CE2 1 ATOM 764 C CE3 . TRP A 1 92 ? 18.146 35.133 36.044 1.00 19.44 ? 96 TRP H CE3 1 ATOM 765 C CZ2 . TRP A 1 92 ? 19.613 35.695 38.421 1.00 20.84 ? 96 TRP H CZ2 1 ATOM 766 C CZ3 . TRP A 1 92 ? 17.594 35.875 37.058 1.00 19.77 ? 96 TRP H CZ3 1 ATOM 767 C CH2 . TRP A 1 92 ? 18.330 36.159 38.245 1.00 22.27 ? 96 TRP H CH2 1 ATOM 768 N N . ARG A 1 93 ? 19.329 36.472 33.532 1.00 20.84 ? 97 ARG H N 1 ATOM 769 C CA . ARG A 1 93 ? 18.386 37.594 33.634 1.00 23.94 ? 97 ARG H CA 1 ATOM 770 C C . ARG A 1 93 ? 18.085 38.319 32.294 1.00 23.80 ? 97 ARG H C 1 ATOM 771 O O . ARG A 1 93 ? 16.936 38.642 31.973 1.00 23.40 ? 97 ARG H O 1 ATOM 772 C CB . ARG A 1 93 ? 18.952 38.663 34.583 1.00 26.79 ? 97 ARG H CB 1 ATOM 773 C CG . ARG A 1 93 ? 19.613 38.055 35.863 1.00 34.56 ? 97 ARG H CG 1 ATOM 774 C CD . ARG A 1 93 ? 21.168 38.272 36.071 1.00 37.31 ? 97 ARG H CD 1 ATOM 775 N NE . ARG A 1 93 ? 22.081 37.470 35.265 1.00 37.30 ? 97 ARG H NE 1 ATOM 776 C CZ . ARG A 1 93 ? 23.348 37.266 35.619 1.00 42.87 ? 97 ARG H CZ 1 ATOM 777 N NH1 . ARG A 1 93 ? 23.836 37.776 36.758 1.00 42.76 ? 97 ARG H NH1 1 ATOM 778 N NH2 . ARG A 1 93 ? 24.164 36.596 34.812 1.00 45.95 ? 97 ARG H NH2 1 ATOM 779 N N . GLU A 1 94 A 19.137 38.571 31.526 1.00 21.51 ? 97 GLU H N 1 ATOM 780 C CA . GLU A 1 94 A 19.013 39.341 30.298 1.00 21.73 ? 97 GLU H CA 1 ATOM 781 C C . GLU A 1 94 A 18.777 38.622 28.968 1.00 20.90 ? 97 GLU H C 1 ATOM 782 O O . GLU A 1 94 A 17.774 38.839 28.298 1.00 21.63 ? 97 GLU H O 1 ATOM 783 C CB A GLU A 1 94 A 20.246 40.244 30.169 0.55 22.97 ? 97 GLU H CB 1 ATOM 784 C CB B GLU A 1 94 A 20.242 40.271 30.174 0.45 20.17 ? 97 GLU H CB 1 ATOM 785 C CG A GLU A 1 94 A 20.300 41.000 28.880 0.55 24.61 ? 97 GLU H CG 1 ATOM 786 C CG B GLU A 1 94 A 20.273 41.454 31.175 0.45 17.39 ? 97 GLU H CG 1 ATOM 787 C CD A GLU A 1 94 A 21.189 42.223 28.932 0.55 25.39 ? 97 GLU H CD 1 ATOM 788 C CD B GLU A 1 94 A 21.698 41.843 31.626 0.45 16.96 ? 97 GLU H CD 1 ATOM 789 O OE1 A GLU A 1 94 A 21.056 43.031 27.989 0.55 25.81 ? 97 GLU H OE1 1 ATOM 790 O OE1 B GLU A 1 94 A 22.328 41.071 32.380 0.45 19.43 ? 97 GLU H OE1 1 ATOM 791 O OE2 A GLU A 1 94 A 22.002 42.375 29.881 0.55 25.01 ? 97 GLU H OE2 1 ATOM 792 O OE2 B GLU A 1 94 A 22.205 42.902 31.243 0.45 11.88 ? 97 GLU H OE2 1 ATOM 793 N N . ASN A 1 95 ? 19.658 37.718 28.597 1.00 20.18 ? 98 ASN H N 1 ATOM 794 C CA . ASN A 1 95 ? 19.503 37.139 27.291 1.00 18.03 ? 98 ASN H CA 1 ATOM 795 C C . ASN A 1 95 ? 20.184 35.796 27.112 1.00 17.17 ? 98 ASN H C 1 ATOM 796 O O . ASN A 1 95 ? 20.475 35.433 25.992 1.00 15.73 ? 98 ASN H O 1 ATOM 797 C CB . ASN A 1 95 ? 20.144 38.126 26.346 1.00 17.26 ? 98 ASN H CB 1 ATOM 798 C CG . ASN A 1 95 ? 21.481 38.564 26.867 1.00 19.33 ? 98 ASN H CG 1 ATOM 799 O OD1 . ASN A 1 95 ? 21.977 37.972 27.829 1.00 17.98 ? 98 ASN H OD1 1 ATOM 800 N ND2 . ASN A 1 95 ? 22.102 39.573 26.236 1.00 20.31 ? 98 ASN H ND2 1 ATOM 801 N N . LEU A 1 96 ? 20.454 35.096 28.196 1.00 14.96 ? 99 LEU H N 1 ATOM 802 C CA . LEU A 1 96 ? 21.149 33.828 28.137 1.00 15.54 ? 99 LEU H CA 1 ATOM 803 C C . LEU A 1 96 ? 22.552 33.935 27.532 1.00 14.76 ? 99 LEU H C 1 ATOM 804 O O . LEU A 1 96 ? 23.020 32.996 26.875 1.00 15.16 ? 99 LEU H O 1 ATOM 805 C CB . LEU A 1 96 ? 20.341 32.738 27.386 1.00 15.14 ? 99 LEU H CB 1 ATOM 806 C CG . LEU A 1 96 ? 18.925 32.449 27.898 1.00 18.98 ? 99 LEU H CG 1 ATOM 807 C CD1 . LEU A 1 96 ? 18.220 31.326 27.053 1.00 16.62 ? 99 LEU H CD1 1 ATOM 808 C CD2 . LEU A 1 96 ? 18.988 32.116 29.383 1.00 17.36 ? 99 LEU H CD2 1 ATOM 809 N N . ASP A 1 97 ? 23.230 35.059 27.760 1.00 13.73 ? 100 ASP H N 1 ATOM 810 C CA . ASP A 1 97 ? 24.610 35.216 27.282 1.00 13.10 ? 100 ASP H CA 1 ATOM 811 C C . ASP A 1 97 ? 25.489 34.172 28.000 1.00 12.93 ? 100 ASP H C 1 ATOM 812 O O . ASP A 1 97 ? 25.444 33.995 29.252 1.00 12.50 ? 100 ASP H O 1 ATOM 813 C CB . ASP A 1 97 ? 25.113 36.625 27.613 1.00 13.49 ? 100 ASP H CB 1 ATOM 814 C CG . ASP A 1 97 ? 26.350 37.018 26.828 1.00 16.55 ? 100 ASP H CG 1 ATOM 815 O OD1 . ASP A 1 97 ? 26.658 36.390 25.784 1.00 14.40 ? 100 ASP H OD1 1 ATOM 816 O OD2 . ASP A 1 97 ? 27.000 38.000 27.234 1.00 16.22 ? 100 ASP H OD2 1 ATOM 817 N N . ARG A 1 98 ? 26.325 33.521 27.212 1.00 13.39 ? 101 ARG H N 1 ATOM 818 C CA . ARG A 1 98 ? 27.209 32.484 27.708 1.00 13.40 ? 101 ARG H CA 1 ATOM 819 C C . ARG A 1 98 ? 26.347 31.380 28.343 1.00 13.35 ? 101 ARG H C 1 ATOM 820 O O . ARG A 1 98 ? 26.583 30.943 29.484 1.00 13.45 ? 101 ARG H O 1 ATOM 821 C CB . ARG A 1 98 ? 28.253 33.031 28.729 1.00 16.77 ? 101 ARG H CB 1 ATOM 822 C CG . ARG A 1 98 ? 28.828 34.421 28.418 1.00 14.37 ? 101 ARG H CG 1 ATOM 823 C CD . ARG A 1 98 ? 30.134 34.709 29.214 1.00 20.76 ? 101 ARG H CD 1 ATOM 824 N NE . ARG A 1 98 ? 30.708 35.977 28.758 1.00 22.72 ? 101 ARG H NE 1 ATOM 825 C CZ . ARG A 1 98 ? 30.237 37.168 29.103 1.00 24.23 ? 101 ARG H CZ 1 ATOM 826 N NH1 . ARG A 1 98 ? 29.212 37.254 29.923 1.00 24.74 ? 101 ARG H NH1 1 ATOM 827 N NH2 . ARG A 1 98 ? 30.729 38.266 28.569 1.00 25.32 ? 101 ARG H NH2 1 ATOM 828 N N . ASP A 1 99 ? 25.359 30.923 27.564 1.00 12.11 ? 102 ASP H N 1 ATOM 829 C CA . ASP A 1 99 ? 24.468 29.834 27.956 1.00 12.37 ? 102 ASP H CA 1 ATOM 830 C C . ASP A 1 99 ? 25.222 28.478 27.794 1.00 11.40 ? 102 ASP H C 1 ATOM 831 O O . ASP A 1 99 ? 24.964 27.690 26.877 1.00 12.05 ? 102 ASP H O 1 ATOM 832 C CB . ASP A 1 99 ? 23.193 29.824 27.079 1.00 11.82 ? 102 ASP H CB 1 ATOM 833 C CG . ASP A 1 99 ? 22.097 28.919 27.653 1.00 12.12 ? 102 ASP H CG 1 ATOM 834 O OD1 . ASP A 1 99 ? 22.325 28.333 28.738 1.00 13.53 ? 102 ASP H OD1 1 ATOM 835 O OD2 . ASP A 1 99 ? 21.008 28.803 27.030 1.00 13.80 ? 102 ASP H OD2 1 ATOM 836 N N . ILE A 1 100 ? 26.162 28.216 28.683 1.00 9.76 ? 103 ILE H N 1 ATOM 837 C CA . ILE A 1 100 ? 26.949 27.003 28.578 1.00 8.92 ? 103 ILE H CA 1 ATOM 838 C C . ILE A 1 100 ? 27.264 26.440 29.982 1.00 9.73 ? 103 ILE H C 1 ATOM 839 O O . ILE A 1 100 ? 27.397 27.190 30.946 1.00 8.02 ? 103 ILE H O 1 ATOM 840 C CB . ILE A 1 100 ? 28.323 27.327 27.820 1.00 7.89 ? 103 ILE H CB 1 ATOM 841 C CG1 . ILE A 1 100 ? 29.120 26.048 27.533 1.00 6.54 ? 103 ILE H CG1 1 ATOM 842 C CG2 . ILE A 1 100 ? 29.218 28.249 28.697 1.00 6.00 ? 103 ILE H CG2 1 ATOM 843 C CD1 . ILE A 1 100 ? 30.305 26.327 26.501 1.00 5.40 ? 103 ILE H CD1 1 ATOM 844 N N . ALA A 1 101 ? 27.407 25.127 30.066 1.00 10.79 ? 104 ALA H N 1 ATOM 845 C CA . ALA A 1 101 ? 27.759 24.446 31.303 1.00 11.82 ? 104 ALA H CA 1 ATOM 846 C C . ALA A 1 101 ? 28.516 23.125 30.996 1.00 12.16 ? 104 ALA H C 1 ATOM 847 O O . ALA A 1 101 ? 28.264 22.502 29.973 1.00 14.31 ? 104 ALA H O 1 ATOM 848 C CB . ALA A 1 101 ? 26.514 24.162 32.098 1.00 10.18 ? 104 ALA H CB 1 ATOM 849 N N . LEU A 1 102 ? 29.473 22.763 31.849 1.00 12.12 ? 105 LEU H N 1 ATOM 850 C CA . LEU A 1 102 ? 30.260 21.530 31.741 1.00 13.16 ? 105 LEU H CA 1 ATOM 851 C C . LEU A 1 102 ? 29.774 20.611 32.896 1.00 14.84 ? 105 LEU H C 1 ATOM 852 O O . LEU A 1 102 ? 29.414 21.081 33.982 1.00 16.18 ? 105 LEU H O 1 ATOM 853 C CB . LEU A 1 102 ? 31.777 21.808 31.917 1.00 12.81 ? 105 LEU H CB 1 ATOM 854 C CG . LEU A 1 102 ? 32.470 22.283 30.631 1.00 13.62 ? 105 LEU H CG 1 ATOM 855 C CD1 . LEU A 1 102 ? 33.897 22.768 30.820 1.00 9.97 ? 105 LEU H CD1 1 ATOM 856 C CD2 . LEU A 1 102 ? 32.447 21.089 29.640 1.00 12.49 ? 105 LEU H CD2 1 ATOM 857 N N . MET A 1 103 ? 29.719 19.321 32.641 1.00 13.88 ? 106 MET H N 1 ATOM 858 C CA . MET A 1 103 ? 29.304 18.393 33.655 1.00 15.62 ? 106 MET H CA 1 ATOM 859 C C . MET A 1 103 ? 30.302 17.281 33.646 1.00 15.72 ? 106 MET H C 1 ATOM 860 O O . MET A 1 103 ? 30.531 16.661 32.607 1.00 15.89 ? 106 MET H O 1 ATOM 861 C CB . MET A 1 103 ? 27.894 17.836 33.381 1.00 14.21 ? 106 MET H CB 1 ATOM 862 C CG . MET A 1 103 ? 26.862 18.896 33.409 1.00 15.23 ? 106 MET H CG 1 ATOM 863 S SD . MET A 1 103 ? 25.191 18.270 33.181 1.00 18.90 ? 106 MET H SD 1 ATOM 864 C CE . MET A 1 103 ? 25.309 17.757 31.491 1.00 13.96 ? 106 MET H CE 1 ATOM 865 N N . LYS A 1 104 ? 30.889 17.034 34.817 1.00 17.47 ? 107 LYS H N 1 ATOM 866 C CA . LYS A 1 104 ? 31.872 15.979 34.982 1.00 17.56 ? 107 LYS H CA 1 ATOM 867 C C . LYS A 1 104 ? 31.221 14.702 35.491 1.00 18.00 ? 107 LYS H C 1 ATOM 868 O O . LYS A 1 104 ? 30.544 14.718 36.520 1.00 17.04 ? 107 LYS H O 1 ATOM 869 C CB . LYS A 1 104 ? 32.950 16.390 35.983 1.00 19.94 ? 107 LYS H CB 1 ATOM 870 C CG . LYS A 1 104 ? 34.170 15.447 35.931 1.00 22.34 ? 107 LYS H CG 1 ATOM 871 C CD . LYS A 1 104 ? 35.263 15.945 36.895 1.00 27.00 ? 107 LYS H CD 1 ATOM 872 C CE . LYS A 1 104 ? 36.666 15.424 36.493 1.00 27.33 ? 107 LYS H CE 1 ATOM 873 N NZ . LYS A 1 104 ? 37.722 16.065 37.375 1.00 29.15 ? 107 LYS H NZ 1 ATOM 874 N N . LEU A 1 105 ? 31.438 13.603 34.767 1.00 16.66 ? 108 LEU H N 1 ATOM 875 C CA . LEU A 1 105 ? 30.900 12.294 35.132 1.00 16.52 ? 108 LEU H CA 1 ATOM 876 C C . LEU A 1 105 ? 31.577 11.710 36.392 1.00 17.48 ? 108 LEU H C 1 ATOM 877 O O . LEU A 1 105 ? 32.746 11.976 36.631 1.00 17.75 ? 108 LEU H O 1 ATOM 878 C CB . LEU A 1 105 ? 31.122 11.355 33.968 1.00 15.01 ? 108 LEU H CB 1 ATOM 879 C CG . LEU A 1 105 ? 29.970 11.163 32.992 1.00 18.54 ? 108 LEU H CG 1 ATOM 880 C CD1 . LEU A 1 105 ? 29.103 12.409 32.782 1.00 15.80 ? 108 LEU H CD1 1 ATOM 881 C CD2 . LEU A 1 105 ? 30.569 10.612 31.729 1.00 17.42 ? 108 LEU H CD2 1 ATOM 882 N N . LYS A 1 106 ? 30.842 10.926 37.176 1.00 19.55 ? 109 LYS H N 1 ATOM 883 C CA . LYS A 1 106 ? 31.381 10.275 38.353 1.00 22.61 ? 109 LYS H CA 1 ATOM 884 C C . LYS A 1 106 ? 32.401 9.277 37.912 1.00 22.67 ? 109 LYS H C 1 ATOM 885 O O . LYS A 1 106 ? 33.457 9.211 38.472 1.00 22.20 ? 109 LYS H O 1 ATOM 886 C CB . LYS A 1 106 ? 30.314 9.517 39.177 1.00 25.10 ? 109 LYS H CB 1 ATOM 887 C CG . LYS A 1 106 ? 29.866 10.345 40.359 1.00 30.87 ? 109 LYS H CG 1 ATOM 888 C CD . LYS A 1 106 ? 28.845 9.684 41.289 1.00 36.11 ? 109 LYS H CD 1 ATOM 889 C CE . LYS A 1 106 ? 28.258 10.750 42.258 1.00 38.08 ? 109 LYS H CE 1 ATOM 890 N NZ . LYS A 1 106 ? 27.394 10.180 43.369 1.00 41.73 ? 109 LYS H NZ 1 ATOM 891 N N . LYS A 1 107 ? 32.065 8.488 36.911 1.00 22.01 ? 110 LYS H N 1 ATOM 892 C CA . LYS A 1 107 ? 32.996 7.489 36.416 1.00 22.72 ? 110 LYS H CA 1 ATOM 893 C C . LYS A 1 107 ? 33.082 7.629 34.913 1.00 20.87 ? 110 LYS H C 1 ATOM 894 O O . LYS A 1 107 ? 32.096 7.830 34.256 1.00 18.06 ? 110 LYS H O 1 ATOM 895 C CB . LYS A 1 107 ? 32.526 6.062 36.743 1.00 24.38 ? 110 LYS H CB 1 ATOM 896 C CG . LYS A 1 107 ? 32.980 5.557 38.118 1.00 30.84 ? 110 LYS H CG 1 ATOM 897 C CD . LYS A 1 107 ? 32.587 4.064 38.393 1.00 33.18 ? 110 LYS H CD 1 ATOM 898 C CE . LYS A 1 107 ? 32.940 3.090 37.234 1.00 35.59 ? 110 LYS H CE 1 ATOM 899 N NZ . LYS A 1 107 ? 32.419 1.700 37.520 1.00 37.13 ? 110 LYS H NZ 1 ATOM 900 N N . PRO A 1 108 ? 34.279 7.514 34.365 1.00 19.89 ? 111 PRO H N 1 ATOM 901 C CA . PRO A 1 108 ? 34.507 7.624 32.919 1.00 19.75 ? 111 PRO H CA 1 ATOM 902 C C . PRO A 1 108 ? 33.667 6.584 32.141 1.00 18.54 ? 111 PRO H C 1 ATOM 903 O O . PRO A 1 108 ? 33.455 5.472 32.605 1.00 18.52 ? 111 PRO H O 1 ATOM 904 C CB . PRO A 1 108 ? 36.021 7.433 32.789 1.00 20.55 ? 111 PRO H CB 1 ATOM 905 C CG . PRO A 1 108 ? 36.454 6.958 34.224 1.00 20.03 ? 111 PRO H CG 1 ATOM 906 C CD . PRO A 1 108 ? 35.523 7.542 35.134 1.00 18.64 ? 111 PRO H CD 1 ATOM 907 N N . VAL A 1 109 ? 33.165 6.974 30.987 1.00 16.04 ? 112 VAL H N 1 ATOM 908 C CA . VAL A 1 109 ? 32.331 6.078 30.190 1.00 16.52 ? 112 VAL H CA 1 ATOM 909 C C . VAL A 1 109 ? 33.172 5.368 29.092 1.00 16.61 ? 112 VAL H C 1 ATOM 910 O O . VAL A 1 109 ? 34.103 5.965 28.552 1.00 15.65 ? 112 VAL H O 1 ATOM 911 C CB A VAL A 1 109 ? 31.178 6.879 29.528 0.38 17.06 ? 112 VAL H CB 1 ATOM 912 C CB B VAL A 1 109 ? 31.108 6.905 29.562 0.62 16.17 ? 112 VAL H CB 1 ATOM 913 C CG1 A VAL A 1 109 ? 30.323 5.972 28.666 0.38 18.00 ? 112 VAL H CG1 1 ATOM 914 C CG1 B VAL A 1 109 ? 31.576 7.843 28.431 0.62 10.54 ? 112 VAL H CG1 1 ATOM 915 C CG2 A VAL A 1 109 ? 30.336 7.522 30.597 0.38 14.97 ? 112 VAL H CG2 1 ATOM 916 C CG2 B VAL A 1 109 ? 30.026 5.953 29.066 0.62 16.70 ? 112 VAL H CG2 1 ATOM 917 N N . ALA A 1 110 ? 32.922 4.072 28.835 1.00 16.98 ? 113 ALA H N 1 ATOM 918 C CA . ALA A 1 110 ? 33.630 3.351 27.774 1.00 16.27 ? 113 ALA H CA 1 ATOM 919 C C . ALA A 1 110 ? 32.989 3.773 26.445 1.00 16.31 ? 113 ALA H C 1 ATOM 920 O O . ALA A 1 110 ? 31.772 3.949 26.377 1.00 18.60 ? 113 ALA H O 1 ATOM 921 C CB . ALA A 1 110 ? 33.475 1.842 27.943 1.00 15.21 ? 113 ALA H CB 1 ATOM 922 N N . PHE A 1 111 ? 33.781 3.956 25.401 1.00 14.38 ? 114 PHE H N 1 ATOM 923 C CA . PHE A 1 111 ? 33.245 4.302 24.099 1.00 14.46 ? 114 PHE H CA 1 ATOM 924 C C . PHE A 1 111 ? 32.750 3.047 23.349 1.00 14.73 ? 114 PHE H C 1 ATOM 925 O O . PHE A 1 111 ? 33.099 1.937 23.699 1.00 15.05 ? 114 PHE H O 1 ATOM 926 C CB . PHE A 1 111 ? 34.324 5.018 23.264 1.00 11.85 ? 114 PHE H CB 1 ATOM 927 C CG . PHE A 1 111 ? 34.855 6.246 23.910 1.00 12.98 ? 114 PHE H CG 1 ATOM 928 C CD1 . PHE A 1 111 ? 34.031 7.038 24.714 1.00 13.51 ? 114 PHE H CD1 1 ATOM 929 C CD2 . PHE A 1 111 ? 36.161 6.679 23.666 1.00 12.19 ? 114 PHE H CD2 1 ATOM 930 C CE1 . PHE A 1 111 ? 34.494 8.244 25.265 1.00 11.75 ? 114 PHE H CE1 1 ATOM 931 C CE2 . PHE A 1 111 ? 36.619 7.893 24.219 1.00 12.86 ? 114 PHE H CE2 1 ATOM 932 C CZ . PHE A 1 111 ? 35.803 8.663 25.005 1.00 11.19 ? 114 PHE H CZ 1 ATOM 933 N N . SER A 1 112 ? 31.954 3.224 22.304 1.00 13.69 ? 115 SER H N 1 ATOM 934 C CA . SER A 1 112 ? 31.467 2.096 21.521 1.00 13.67 ? 115 SER H CA 1 ATOM 935 C C . SER A 1 112 ? 31.012 2.629 20.190 1.00 13.82 ? 115 SER H C 1 ATOM 936 O O . SER A 1 112 ? 31.293 3.794 19.846 1.00 14.09 ? 115 SER H O 1 ATOM 937 C CB . SER A 1 112 ? 30.267 1.429 22.205 1.00 14.99 ? 115 SER H CB 1 ATOM 938 O OG . SER A 1 112 ? 29.126 2.301 22.227 1.00 13.64 ? 115 SER H OG 1 ATOM 939 N N . ASP A 1 113 ? 30.287 1.812 19.448 1.00 12.21 ? 116 ASP H N 1 ATOM 940 C CA . ASP A 1 113 ? 29.777 2.287 18.163 1.00 14.70 ? 116 ASP H CA 1 ATOM 941 C C . ASP A 1 113 ? 28.742 3.389 18.300 1.00 14.74 ? 116 ASP H C 1 ATOM 942 O O . ASP A 1 113 ? 28.469 4.117 17.336 1.00 14.63 ? 116 ASP H O 1 ATOM 943 C CB . ASP A 1 113 ? 29.123 1.153 17.368 1.00 15.90 ? 116 ASP H CB 1 ATOM 944 C CG . ASP A 1 113 ? 30.151 0.123 16.833 1.00 18.33 ? 116 ASP H CG 1 ATOM 945 O OD1 . ASP A 1 113 ? 31.376 0.340 16.958 1.00 16.56 ? 116 ASP H OD1 1 ATOM 946 O OD2 . ASP A 1 113 ? 29.713 -0.900 16.287 1.00 19.03 ? 116 ASP H OD2 1 ATOM 947 N N . TYR A 1 114 ? 28.167 3.497 19.495 1.00 14.45 ? 117 TYR H N 1 ATOM 948 C CA . TYR A 1 114 ? 27.081 4.440 19.766 1.00 14.90 ? 117 TYR H CA 1 ATOM 949 C C . TYR A 1 114 ? 27.456 5.593 20.687 1.00 14.57 ? 117 TYR H C 1 ATOM 950 O O . TYR A 1 114 ? 26.634 6.478 20.981 1.00 14.06 ? 117 TYR H O 1 ATOM 951 C CB . TYR A 1 114 ? 25.895 3.659 20.400 1.00 13.98 ? 117 TYR H CB 1 ATOM 952 C CG . TYR A 1 114 ? 25.643 2.369 19.658 1.00 16.07 ? 117 TYR H CG 1 ATOM 953 C CD1 . TYR A 1 114 ? 25.128 2.380 18.361 1.00 17.34 ? 117 TYR H CD1 1 ATOM 954 C CD2 . TYR A 1 114 ? 26.045 1.150 20.195 1.00 16.13 ? 117 TYR H CD2 1 ATOM 955 C CE1 . TYR A 1 114 ? 25.038 1.200 17.617 1.00 19.94 ? 117 TYR H CE1 1 ATOM 956 C CE2 . TYR A 1 114 ? 25.949 -0.019 19.471 1.00 18.17 ? 117 TYR H CE2 1 ATOM 957 C CZ . TYR A 1 114 ? 25.449 -0.007 18.184 1.00 19.94 ? 117 TYR H CZ 1 ATOM 958 O OH . TYR A 1 114 ? 25.325 -1.215 17.471 1.00 21.40 ? 117 TYR H OH 1 ATOM 959 N N . ILE A 1 115 ? 28.675 5.521 21.186 1.00 13.63 ? 118 ILE H N 1 ATOM 960 C CA . ILE A 1 115 ? 29.204 6.477 22.144 1.00 12.90 ? 118 ILE H CA 1 ATOM 961 C C . ILE A 1 115 ? 30.634 6.883 21.720 1.00 12.17 ? 118 ILE H C 1 ATOM 962 O O . ILE A 1 115 ? 31.552 6.091 21.858 1.00 12.01 ? 118 ILE H O 1 ATOM 963 C CB . ILE A 1 115 ? 29.279 5.839 23.601 1.00 11.67 ? 118 ILE H CB 1 ATOM 964 C CG1 . ILE A 1 115 ? 27.890 5.380 24.092 1.00 10.49 ? 118 ILE H CG1 1 ATOM 965 C CG2 . ILE A 1 115 ? 29.849 6.871 24.587 1.00 8.49 ? 118 ILE H CG2 1 ATOM 966 C CD1 . ILE A 1 115 ? 27.900 4.584 25.492 1.00 6.70 ? 118 ILE H CD1 1 ATOM 967 N N . HIS A 1 116 ? 30.803 8.122 21.266 1.00 12.94 ? 119 HIS H N 1 ATOM 968 C CA . HIS A 1 116 ? 32.101 8.626 20.802 1.00 13.62 ? 119 HIS H CA 1 ATOM 969 C C . HIS A 1 116 ? 32.030 10.162 20.952 1.00 13.45 ? 119 HIS H C 1 ATOM 970 O O . HIS A 1 116 ? 31.024 10.761 20.650 1.00 12.98 ? 119 HIS H O 1 ATOM 971 C CB . HIS A 1 116 ? 32.311 8.256 19.322 1.00 14.08 ? 119 HIS H CB 1 ATOM 972 C CG . HIS A 1 116 ? 33.711 8.466 18.849 1.00 13.51 ? 119 HIS H CG 1 ATOM 973 N ND1 . HIS A 1 116 ? 34.676 7.488 18.948 1.00 15.04 ? 119 HIS H ND1 1 ATOM 974 C CD2 . HIS A 1 116 ? 34.313 9.537 18.279 1.00 15.53 ? 119 HIS H CD2 1 ATOM 975 C CE1 . HIS A 1 116 ? 35.814 7.950 18.454 1.00 16.52 ? 119 HIS H CE1 1 ATOM 976 N NE2 . HIS A 1 116 ? 35.625 9.190 18.040 1.00 15.20 ? 119 HIS H NE2 1 ATOM 977 N N . PRO A 1 117 ? 33.101 10.800 21.391 1.00 12.56 ? 120 PRO H N 1 ATOM 978 C CA . PRO A 1 117 ? 32.986 12.260 21.549 1.00 13.35 ? 120 PRO H CA 1 ATOM 979 C C . PRO A 1 117 ? 33.153 13.119 20.299 1.00 13.13 ? 120 PRO H C 1 ATOM 980 O O . PRO A 1 117 ? 33.756 12.711 19.324 1.00 14.39 ? 120 PRO H O 1 ATOM 981 C CB . PRO A 1 117 ? 34.025 12.568 22.610 1.00 13.09 ? 120 PRO H CB 1 ATOM 982 C CG . PRO A 1 117 ? 35.111 11.545 22.302 1.00 13.63 ? 120 PRO H CG 1 ATOM 983 C CD . PRO A 1 117 ? 34.335 10.272 21.976 1.00 11.83 ? 120 PRO H CD 1 ATOM 984 N N . VAL A 1 118 ? 32.585 14.301 20.326 1.00 11.20 ? 121 VAL H N 1 ATOM 985 C CA . VAL A 1 118 ? 32.722 15.189 19.199 1.00 11.04 ? 121 VAL H CA 1 ATOM 986 C C . VAL A 1 118 ? 33.960 16.056 19.510 1.00 11.76 ? 121 VAL H C 1 ATOM 987 O O . VAL A 1 118 ? 34.385 16.139 20.656 1.00 11.33 ? 121 VAL H O 1 ATOM 988 C CB . VAL A 1 118 ? 31.451 16.084 19.071 1.00 10.88 ? 121 VAL H CB 1 ATOM 989 C CG1 . VAL A 1 118 ? 31.399 17.014 20.266 1.00 11.80 ? 121 VAL H CG1 1 ATOM 990 C CG2 . VAL A 1 118 ? 31.436 16.891 17.740 1.00 9.51 ? 121 VAL H CG2 1 ATOM 991 N N . CYS A 1 119 ? 34.542 16.696 18.498 1.00 13.43 ? 122 CYS H N 1 ATOM 992 C CA . CYS A 1 119 ? 35.702 17.580 18.717 1.00 12.18 ? 122 CYS H CA 1 ATOM 993 C C . CYS A 1 119 ? 35.236 18.981 19.094 1.00 12.81 ? 122 CYS H C 1 ATOM 994 O O . CYS A 1 119 ? 34.167 19.408 18.632 1.00 9.92 ? 122 CYS H O 1 ATOM 995 C CB . CYS A 1 119 ? 36.489 17.760 17.428 1.00 12.99 ? 122 CYS H CB 1 ATOM 996 S SG . CYS A 1 119 ? 37.160 16.236 16.720 1.00 14.62 ? 122 CYS H SG 1 ATOM 997 N N . LEU A 1 120 ? 36.017 19.665 19.948 1.00 12.76 ? 123 LEU H N 1 ATOM 998 C CA . LEU A 1 120 ? 35.773 21.076 20.248 1.00 13.87 ? 123 LEU H CA 1 ATOM 999 C C . LEU A 1 120 ? 36.514 21.828 19.110 1.00 14.08 ? 123 LEU H C 1 ATOM 1000 O O . LEU A 1 120 ? 37.585 21.417 18.743 1.00 11.24 ? 123 LEU H O 1 ATOM 1001 C CB . LEU A 1 120 ? 36.463 21.488 21.555 1.00 13.49 ? 123 LEU H CB 1 ATOM 1002 C CG . LEU A 1 120 ? 35.956 20.819 22.842 1.00 14.44 ? 123 LEU H CG 1 ATOM 1003 C CD1 . LEU A 1 120 ? 36.862 21.212 24.023 1.00 14.72 ? 123 LEU H CD1 1 ATOM 1004 C CD2 . LEU A 1 120 ? 34.534 21.244 23.061 1.00 12.00 ? 123 LEU H CD2 1 ATOM 1005 N N . PRO A 1 121 ? 36.010 22.998 18.632 1.00 15.95 ? 124 PRO H N 1 ATOM 1006 C CA . PRO A 1 121 ? 36.722 23.703 17.542 1.00 16.81 ? 124 PRO H CA 1 ATOM 1007 C C . PRO A 1 121 ? 37.950 24.468 17.977 1.00 18.15 ? 124 PRO H C 1 ATOM 1008 O O . PRO A 1 121 ? 38.063 24.844 19.125 1.00 16.16 ? 124 PRO H O 1 ATOM 1009 C CB . PRO A 1 121 ? 35.677 24.690 17.007 1.00 18.02 ? 124 PRO H CB 1 ATOM 1010 C CG . PRO A 1 121 ? 34.954 25.152 18.313 1.00 16.56 ? 124 PRO H CG 1 ATOM 1011 C CD . PRO A 1 121 ? 34.812 23.757 19.063 1.00 16.26 ? 124 PRO H CD 1 ATOM 1012 N N . ASP A 1 122 ? 38.878 24.651 17.039 1.00 19.97 ? 125 ASP H N 1 ATOM 1013 C CA . ASP A 1 122 ? 40.056 25.485 17.268 1.00 22.36 ? 125 ASP H CA 1 ATOM 1014 C C . ASP A 1 122 ? 39.794 26.745 16.407 1.00 22.28 ? 125 ASP H C 1 ATOM 1015 O O . ASP A 1 122 ? 38.765 26.829 15.715 1.00 22.07 ? 125 ASP H O 1 ATOM 1016 C CB . ASP A 1 122 ? 41.313 24.804 16.779 1.00 23.67 ? 125 ASP H CB 1 ATOM 1017 C CG . ASP A 1 122 ? 41.138 24.208 15.407 1.00 27.94 ? 125 ASP H CG 1 ATOM 1018 O OD1 . ASP A 1 122 ? 40.248 24.643 14.659 1.00 29.09 ? 125 ASP H OD1 1 ATOM 1019 O OD2 . ASP A 1 122 ? 41.898 23.287 15.062 1.00 31.54 ? 125 ASP H OD2 1 ATOM 1020 N N . ARG A 1 123 ? 40.708 27.709 16.440 1.00 23.77 ? 126 ARG H N 1 ATOM 1021 C CA . ARG A 1 123 ? 40.542 28.943 15.682 1.00 25.02 ? 126 ARG H CA 1 ATOM 1022 C C . ARG A 1 123 ? 40.452 28.712 14.168 1.00 23.99 ? 126 ARG H C 1 ATOM 1023 O O . ARG A 1 123 ? 39.595 29.259 13.522 1.00 23.71 ? 126 ARG H O 1 ATOM 1024 C CB . ARG A 1 123 ? 41.669 29.941 16.027 1.00 28.48 ? 126 ARG H CB 1 ATOM 1025 C CG . ARG A 1 123 ? 41.415 31.379 15.476 1.00 33.76 ? 126 ARG H CG 1 ATOM 1026 C CD . ARG A 1 123 ? 42.250 32.472 16.172 1.00 39.93 ? 126 ARG H CD 1 ATOM 1027 N NE . ARG A 1 123 ? 42.076 33.800 15.533 1.00 45.54 ? 126 ARG H NE 1 ATOM 1028 C CZ . ARG A 1 123 ? 42.705 34.935 15.896 1.00 46.93 ? 126 ARG H CZ 1 ATOM 1029 N NH1 . ARG A 1 123 ? 43.569 34.948 16.917 1.00 48.27 ? 126 ARG H NH1 1 ATOM 1030 N NH2 . ARG A 1 123 ? 42.500 36.072 15.218 1.00 48.46 ? 126 ARG H NH2 1 ATOM 1031 N N . GLU A 1 124 ? 41.293 27.881 13.592 1.00 24.48 ? 127 GLU H N 1 ATOM 1032 C CA . GLU A 1 124 ? 41.188 27.727 12.161 1.00 25.97 ? 127 GLU H CA 1 ATOM 1033 C C . GLU A 1 124 ? 39.839 27.123 11.742 1.00 24.18 ? 127 GLU H C 1 ATOM 1034 O O . GLU A 1 124 ? 39.236 27.605 10.796 1.00 24.19 ? 127 GLU H O 1 ATOM 1035 C CB . GLU A 1 124 ? 42.367 26.909 11.583 1.00 28.51 ? 127 GLU H CB 1 ATOM 1036 C CG . GLU A 1 124 ? 42.720 27.367 10.139 1.00 33.31 ? 127 GLU H CG 1 ATOM 1037 C CD . GLU A 1 124 ? 42.015 28.723 9.713 1.00 37.53 ? 127 GLU H CD 1 ATOM 1038 O OE1 . GLU A 1 124 ? 41.126 28.736 8.807 1.00 35.02 ? 127 GLU H OE1 1 ATOM 1039 O OE2 . GLU A 1 124 ? 42.369 29.796 10.293 1.00 40.63 ? 127 GLU H OE2 1 ATOM 1040 N N . THR A 1 125 ? 39.347 26.113 12.463 1.00 22.20 ? 128 THR H N 1 ATOM 1041 C CA . THR A 1 125 ? 38.069 25.494 12.118 1.00 20.27 ? 128 THR H CA 1 ATOM 1042 C C . THR A 1 125 ? 36.903 26.497 12.278 1.00 18.75 ? 128 THR H C 1 ATOM 1043 O O . THR A 1 125 ? 35.990 26.533 11.457 1.00 18.82 ? 128 THR H O 1 ATOM 1044 C CB . THR A 1 125 ? 37.807 24.191 12.979 1.00 21.99 ? 128 THR H CB 1 ATOM 1045 O OG1 . THR A 1 125 ? 38.772 23.173 12.648 1.00 22.76 ? 128 THR H OG1 1 ATOM 1046 C CG2 . THR A 1 125 ? 36.426 23.636 12.702 1.00 21.12 ? 128 THR H CG2 1 ATOM 1047 N N . ALA A 1 126 ? 36.960 27.324 13.300 1.00 15.60 ? 129 ALA H N 1 ATOM 1048 C CA . ALA A 1 126 ? 35.908 28.304 13.496 1.00 18.01 ? 129 ALA H CA 1 ATOM 1049 C C . ALA A 1 126 ? 36.043 29.404 12.433 1.00 18.45 ? 129 ALA H C 1 ATOM 1050 O O . ALA A 1 126 ? 35.063 29.833 11.828 1.00 17.45 ? 129 ALA H O 1 ATOM 1051 C CB . ALA A 1 126 ? 35.992 28.926 14.906 1.00 15.26 ? 129 ALA H CB 1 ATOM 1052 N N . ALA A 1 127 A 37.272 29.825 12.176 1.00 19.70 ? 129 ALA H N 1 ATOM 1053 C CA . ALA A 1 127 A 37.471 30.882 11.202 1.00 20.92 ? 129 ALA H CA 1 ATOM 1054 C C . ALA A 1 127 A 36.995 30.392 9.842 1.00 21.99 ? 129 ALA H C 1 ATOM 1055 O O . ALA A 1 127 A 36.330 31.127 9.130 1.00 24.26 ? 129 ALA H O 1 ATOM 1056 C CB . ALA A 1 127 A 38.964 31.304 11.150 1.00 19.28 ? 129 ALA H CB 1 ATOM 1057 N N . SER A 1 128 B 37.329 29.155 9.490 1.00 22.52 ? 129 SER H N 1 ATOM 1058 C CA . SER A 1 128 B 36.925 28.560 8.231 1.00 22.28 ? 129 SER H CA 1 ATOM 1059 C C . SER A 1 128 B 35.429 28.283 7.998 1.00 23.52 ? 129 SER H C 1 ATOM 1060 O O . SER A 1 128 B 34.873 28.584 6.903 1.00 23.60 ? 129 SER H O 1 ATOM 1061 C CB . SER A 1 128 B 37.595 27.216 8.066 1.00 24.30 ? 129 SER H CB 1 ATOM 1062 O OG . SER A 1 128 B 38.997 27.338 7.934 1.00 32.67 ? 129 SER H OG 1 ATOM 1063 N N . LEU A 1 129 C 34.788 27.671 9.004 1.00 21.31 ? 129 LEU H N 1 ATOM 1064 C CA . LEU A 1 129 C 33.409 27.227 8.844 1.00 20.38 ? 129 LEU H CA 1 ATOM 1065 C C . LEU A 1 129 C 32.228 28.045 9.410 1.00 19.88 ? 129 LEU H C 1 ATOM 1066 O O . LEU A 1 129 C 31.068 27.910 8.953 1.00 16.66 ? 129 LEU H O 1 ATOM 1067 C CB . LEU A 1 129 C 33.315 25.774 9.353 1.00 19.36 ? 129 LEU H CB 1 ATOM 1068 C CG . LEU A 1 129 C 33.773 24.553 8.534 1.00 21.27 ? 129 LEU H CG 1 ATOM 1069 C CD1 . LEU A 1 129 C 34.657 24.919 7.385 1.00 18.98 ? 129 LEU H CD1 1 ATOM 1070 C CD2 . LEU A 1 129 C 34.472 23.611 9.463 1.00 19.50 ? 129 LEU H CD2 1 ATOM 1071 N N . LEU A 1 130 ? 32.510 28.859 10.407 1.00 19.87 ? 130 LEU H N 1 ATOM 1072 C CA . LEU A 1 130 ? 31.463 29.661 11.027 1.00 22.27 ? 130 LEU H CA 1 ATOM 1073 C C . LEU A 1 130 ? 31.234 30.905 10.169 1.00 22.89 ? 130 LEU H C 1 ATOM 1074 O O . LEU A 1 130 ? 31.604 31.992 10.550 1.00 22.58 ? 130 LEU H O 1 ATOM 1075 C CB . LEU A 1 130 ? 31.908 30.029 12.449 1.00 23.06 ? 130 LEU H CB 1 ATOM 1076 C CG . LEU A 1 130 ? 30.980 29.516 13.549 1.00 26.32 ? 130 LEU H CG 1 ATOM 1077 C CD1 . LEU A 1 130 ? 31.304 30.216 14.837 1.00 26.99 ? 130 LEU H CD1 1 ATOM 1078 C CD2 . LEU A 1 130 ? 29.549 29.832 13.194 1.00 25.80 ? 130 LEU H CD2 1 ATOM 1079 N N . GLN A 1 131 ? 30.604 30.699 9.018 1.00 23.96 ? 131 GLN H N 1 ATOM 1080 C CA . GLN A 1 131 ? 30.335 31.697 7.976 1.00 23.75 ? 131 GLN H CA 1 ATOM 1081 C C . GLN A 1 131 ? 28.874 31.614 7.567 1.00 21.86 ? 131 GLN H C 1 ATOM 1082 O O . GLN A 1 131 ? 28.315 30.509 7.485 1.00 22.10 ? 131 GLN H O 1 ATOM 1083 C CB . GLN A 1 131 ? 31.122 31.344 6.691 1.00 27.32 ? 131 GLN H CB 1 ATOM 1084 C CG . GLN A 1 131 ? 32.603 31.161 6.799 1.00 33.88 ? 131 GLN H CG 1 ATOM 1085 C CD . GLN A 1 131 ? 33.321 32.430 6.456 1.00 38.59 ? 131 GLN H CD 1 ATOM 1086 O OE1 . GLN A 1 131 ? 33.333 33.399 7.246 1.00 42.12 ? 131 GLN H OE1 1 ATOM 1087 N NE2 . GLN A 1 131 ? 33.901 32.467 5.263 1.00 39.73 ? 131 GLN H NE2 1 ATOM 1088 N N . ALA A 1 132 ? 28.286 32.753 7.221 1.00 20.09 ? 132 ALA H N 1 ATOM 1089 C CA . ALA A 1 132 ? 26.858 32.801 6.813 1.00 19.36 ? 132 ALA H CA 1 ATOM 1090 C C . ALA A 1 132 ? 26.689 31.903 5.600 1.00 17.97 ? 132 ALA H C 1 ATOM 1091 O O . ALA A 1 132 ? 27.577 31.846 4.767 1.00 18.53 ? 132 ALA H O 1 ATOM 1092 C CB . ALA A 1 132 ? 26.462 34.199 6.443 1.00 16.61 ? 132 ALA H CB 1 ATOM 1093 N N . GLY A 1 133 ? 25.580 31.192 5.539 1.00 17.52 ? 133 GLY H N 1 ATOM 1094 C CA . GLY A 1 133 ? 25.310 30.295 4.436 1.00 18.36 ? 133 GLY H CA 1 ATOM 1095 C C . GLY A 1 133 ? 25.931 28.930 4.639 1.00 19.86 ? 133 GLY H C 1 ATOM 1096 O O . GLY A 1 133 ? 25.568 28.006 3.940 1.00 22.93 ? 133 GLY H O 1 ATOM 1097 N N . TYR A 1 134 ? 26.867 28.772 5.573 1.00 19.99 ? 134 TYR H N 1 ATOM 1098 C CA . TYR A 1 134 ? 27.480 27.445 5.794 1.00 19.52 ? 134 TYR H CA 1 ATOM 1099 C C . TYR A 1 134 ? 26.566 26.674 6.738 1.00 18.43 ? 134 TYR H C 1 ATOM 1100 O O . TYR A 1 134 ? 26.142 27.218 7.770 1.00 16.96 ? 134 TYR H O 1 ATOM 1101 C CB . TYR A 1 134 ? 28.852 27.574 6.441 1.00 19.61 ? 134 TYR H CB 1 ATOM 1102 C CG . TYR A 1 134 ? 29.966 27.954 5.517 1.00 20.50 ? 134 TYR H CG 1 ATOM 1103 C CD1 . TYR A 1 134 ? 29.738 28.731 4.355 1.00 21.18 ? 134 TYR H CD1 1 ATOM 1104 C CD2 . TYR A 1 134 ? 31.264 27.604 5.837 1.00 19.71 ? 134 TYR H CD2 1 ATOM 1105 C CE1 . TYR A 1 134 ? 30.816 29.149 3.534 1.00 20.78 ? 134 TYR H CE1 1 ATOM 1106 C CE2 . TYR A 1 134 ? 32.327 28.005 5.052 1.00 21.69 ? 134 TYR H CE2 1 ATOM 1107 C CZ . TYR A 1 134 ? 32.105 28.776 3.892 1.00 21.73 ? 134 TYR H CZ 1 ATOM 1108 O OH . TYR A 1 134 ? 33.182 29.096 3.130 1.00 19.56 ? 134 TYR H OH 1 ATOM 1109 N N . LYS A 1 135 ? 26.264 25.425 6.377 1.00 17.50 ? 135 LYS H N 1 ATOM 1110 C CA . LYS A 1 135 ? 25.327 24.635 7.158 1.00 17.52 ? 135 LYS H CA 1 ATOM 1111 C C . LYS A 1 135 ? 25.879 23.760 8.273 1.00 17.16 ? 135 LYS H C 1 ATOM 1112 O O . LYS A 1 135 ? 26.923 23.132 8.168 1.00 16.65 ? 135 LYS H O 1 ATOM 1113 C CB . LYS A 1 135 ? 24.468 23.757 6.231 1.00 18.08 ? 135 LYS H CB 1 ATOM 1114 C CG . LYS A 1 135 ? 23.509 24.514 5.284 1.00 16.53 ? 135 LYS H CG 1 ATOM 1115 C CD . LYS A 1 135 ? 22.781 23.496 4.338 1.00 12.64 ? 135 LYS H CD 1 ATOM 1116 C CE . LYS A 1 135 ? 21.856 24.134 3.324 1.00 13.98 ? 135 LYS H CE 1 ATOM 1117 N NZ . LYS A 1 135 ? 21.164 23.158 2.397 1.00 12.28 ? 135 LYS H NZ 1 ATOM 1118 N N . GLY A 1 136 ? 25.144 23.755 9.376 1.00 17.77 ? 136 GLY H N 1 ATOM 1119 C CA . GLY A 1 136 ? 25.501 22.903 10.487 1.00 16.45 ? 136 GLY H CA 1 ATOM 1120 C C . GLY A 1 136 ? 24.382 21.906 10.705 1.00 16.00 ? 136 GLY H C 1 ATOM 1121 O O . GLY A 1 136 ? 23.340 21.981 10.072 1.00 17.03 ? 136 GLY H O 1 ATOM 1122 N N . ARG A 1 137 ? 24.589 20.987 11.642 1.00 17.16 ? 137 ARG H N 1 ATOM 1123 C CA . ARG A 1 137 ? 23.612 19.944 11.975 1.00 15.36 ? 137 ARG H CA 1 ATOM 1124 C C . ARG A 1 137 ? 23.219 20.034 13.470 1.00 14.24 ? 137 ARG H C 1 ATOM 1125 O O . ARG A 1 137 ? 24.093 20.252 14.357 1.00 14.06 ? 137 ARG H O 1 ATOM 1126 C CB . ARG A 1 137 ? 24.224 18.584 11.656 1.00 17.29 ? 137 ARG H CB 1 ATOM 1127 C CG . ARG A 1 137 ? 23.415 17.421 12.120 1.00 15.08 ? 137 ARG H CG 1 ATOM 1128 C CD . ARG A 1 137 ? 24.057 16.147 11.666 1.00 16.16 ? 137 ARG H CD 1 ATOM 1129 N NE . ARG A 1 137 ? 23.894 15.917 10.235 1.00 13.96 ? 137 ARG H NE 1 ATOM 1130 C CZ . ARG A 1 137 ? 24.465 14.903 9.582 1.00 13.33 ? 137 ARG H CZ 1 ATOM 1131 N NH1 . ARG A 1 137 ? 25.234 14.034 10.250 1.00 8.48 ? 137 ARG H NH1 1 ATOM 1132 N NH2 . ARG A 1 137 ? 24.272 14.762 8.268 1.00 10.61 ? 137 ARG H NH2 1 ATOM 1133 N N . VAL A 1 138 ? 21.910 19.931 13.731 1.00 11.60 ? 138 VAL H N 1 ATOM 1134 C CA . VAL A 1 138 ? 21.368 20.013 15.085 1.00 9.80 ? 138 VAL H CA 1 ATOM 1135 C C . VAL A 1 138 ? 20.598 18.763 15.357 1.00 10.77 ? 138 VAL H C 1 ATOM 1136 O O . VAL A 1 138 ? 19.828 18.302 14.501 1.00 10.85 ? 138 VAL H O 1 ATOM 1137 C CB . VAL A 1 138 ? 20.414 21.184 15.231 1.00 10.15 ? 138 VAL H CB 1 ATOM 1138 C CG1 . VAL A 1 138 ? 20.027 21.394 16.765 1.00 11.90 ? 138 VAL H CG1 1 ATOM 1139 C CG2 . VAL A 1 138 ? 21.078 22.431 14.700 1.00 10.46 ? 138 VAL H CG2 1 ATOM 1140 N N . THR A 1 139 ? 20.756 18.216 16.557 1.00 10.20 ? 139 THR H N 1 ATOM 1141 C CA . THR A 1 139 ? 20.060 16.986 16.909 1.00 10.58 ? 139 THR H CA 1 ATOM 1142 C C . THR A 1 139 ? 19.343 17.096 18.249 1.00 11.65 ? 139 THR H C 1 ATOM 1143 O O . THR A 1 139 ? 19.730 17.879 19.101 1.00 9.32 ? 139 THR H O 1 ATOM 1144 C CB . THR A 1 139 ? 21.043 15.808 16.973 1.00 11.38 ? 139 THR H CB 1 ATOM 1145 O OG1 . THR A 1 139 ? 22.258 16.274 17.544 1.00 13.99 ? 139 THR H OG1 1 ATOM 1146 C CG2 . THR A 1 139 ? 21.313 15.202 15.572 1.00 11.85 ? 139 THR H CG2 1 ATOM 1147 N N . GLY A 1 140 ? 18.262 16.339 18.411 1.00 11.21 ? 140 GLY H N 1 ATOM 1148 C CA . GLY A 1 140 ? 17.575 16.390 19.696 1.00 12.40 ? 140 GLY H CA 1 ATOM 1149 C C . GLY A 1 140 ? 16.314 15.553 19.764 1.00 13.80 ? 140 GLY H C 1 ATOM 1150 O O . GLY A 1 140 ? 15.795 15.094 18.701 1.00 13.48 ? 140 GLY H O 1 ATOM 1151 N N . TRP A 1 141 ? 15.851 15.330 21.007 1.00 12.73 ? 141 TRP H N 1 ATOM 1152 C CA . TRP A 1 141 ? 14.622 14.584 21.294 1.00 11.10 ? 141 TRP H CA 1 ATOM 1153 C C . TRP A 1 141 ? 13.553 15.637 21.682 1.00 10.53 ? 141 TRP H C 1 ATOM 1154 O O . TRP A 1 141 ? 12.516 15.319 22.221 1.00 13.42 ? 141 TRP H O 1 ATOM 1155 C CB . TRP A 1 141 ? 14.858 13.619 22.472 1.00 8.11 ? 141 TRP H CB 1 ATOM 1156 C CG . TRP A 1 141 ? 15.664 12.456 22.144 1.00 10.80 ? 141 TRP H CG 1 ATOM 1157 C CD1 . TRP A 1 141 ? 15.239 11.351 21.477 1.00 10.90 ? 141 TRP H CD1 1 ATOM 1158 C CD2 . TRP A 1 141 ? 17.037 12.215 22.474 1.00 11.74 ? 141 TRP H CD2 1 ATOM 1159 N NE1 . TRP A 1 141 ? 16.234 10.453 21.375 1.00 11.01 ? 141 TRP H NE1 1 ATOM 1160 C CE2 . TRP A 1 141 ? 17.359 10.945 21.975 1.00 12.46 ? 141 TRP H CE2 1 ATOM 1161 C CE3 . TRP A 1 141 ? 18.024 12.944 23.152 1.00 12.77 ? 141 TRP H CE3 1 ATOM 1162 C CZ2 . TRP A 1 141 ? 18.637 10.368 22.115 1.00 12.92 ? 141 TRP H CZ2 1 ATOM 1163 C CZ3 . TRP A 1 141 ? 19.308 12.371 23.301 1.00 14.79 ? 141 TRP H CZ3 1 ATOM 1164 C CH2 . TRP A 1 141 ? 19.594 11.096 22.775 1.00 12.70 ? 141 TRP H CH2 1 ATOM 1165 N N . GLY A 1 142 ? 13.849 16.887 21.434 1.00 11.61 ? 142 GLY H N 1 ATOM 1166 C CA . GLY A 1 142 ? 12.958 17.990 21.766 1.00 11.69 ? 142 GLY H CA 1 ATOM 1167 C C . GLY A 1 142 ? 11.641 18.046 20.991 1.00 12.99 ? 142 GLY H C 1 ATOM 1168 O O . GLY A 1 142 ? 11.352 17.178 20.146 1.00 10.88 ? 142 GLY H O 1 ATOM 1169 N N . ASN A 1 143 ? 10.850 19.086 21.268 1.00 11.76 ? 143 ASN H N 1 ATOM 1170 C CA . ASN A 1 143 ? 9.537 19.188 20.618 1.00 14.10 ? 143 ASN H CA 1 ATOM 1171 C C . ASN A 1 143 ? 9.512 19.286 19.083 1.00 11.17 ? 143 ASN H C 1 ATOM 1172 O O . ASN A 1 143 ? 10.342 19.929 18.472 1.00 11.68 ? 143 ASN H O 1 ATOM 1173 C CB . ASN A 1 143 ? 8.711 20.341 21.215 1.00 13.13 ? 143 ASN H CB 1 ATOM 1174 C CG . ASN A 1 143 ? 8.461 20.175 22.705 1.00 17.29 ? 143 ASN H CG 1 ATOM 1175 O OD1 . ASN A 1 143 ? 8.657 19.092 23.287 1.00 16.66 ? 143 ASN H OD1 1 ATOM 1176 N ND2 . ASN A 1 143 ? 8.034 21.251 23.336 1.00 15.19 ? 143 ASN H ND2 1 ATOM 1177 N N . LEU A 1 144 ? 8.511 18.647 18.492 1.00 12.32 ? 144 LEU H N 1 ATOM 1178 C CA . LEU A 1 144 ? 8.301 18.615 17.035 1.00 12.02 ? 144 LEU H CA 1 ATOM 1179 C C . LEU A 1 144 ? 7.466 19.788 16.525 1.00 13.13 ? 144 LEU H C 1 ATOM 1180 O O . LEU A 1 144 ? 7.303 19.936 15.297 1.00 12.40 ? 144 LEU H O 1 ATOM 1181 C CB . LEU A 1 144 ? 7.556 17.316 16.618 1.00 9.65 ? 144 LEU H CB 1 ATOM 1182 C CG . LEU A 1 144 ? 8.264 16.000 16.954 1.00 11.80 ? 144 LEU H CG 1 ATOM 1183 C CD1 . LEU A 1 144 ? 7.335 14.898 16.531 1.00 8.44 ? 144 LEU H CD1 1 ATOM 1184 C CD2 . LEU A 1 144 ? 9.750 15.923 16.259 1.00 9.54 ? 144 LEU H CD2 1 ATOM 1185 N N . LYS A 1 145 ? 6.930 20.594 17.445 1.00 13.15 ? 145 LYS H N 1 ATOM 1186 C CA . LYS A 1 145 ? 6.044 21.739 17.076 1.00 15.55 ? 145 LYS H CA 1 ATOM 1187 C C . LYS A 1 145 ? 5.993 22.624 18.336 1.00 15.76 ? 145 LYS H C 1 ATOM 1188 O O . LYS A 1 145 ? 6.563 22.246 19.378 1.00 15.94 ? 145 LYS H O 1 ATOM 1189 C CB . LYS A 1 145 ? 4.593 21.230 16.788 1.00 13.79 ? 145 LYS H CB 1 ATOM 1190 C CG . LYS A 1 145 ? 4.082 20.397 18.018 1.00 16.61 ? 145 LYS H CG 1 ATOM 1191 C CD . LYS A 1 145 ? 2.665 19.833 17.861 1.00 18.75 ? 145 LYS H CD 1 ATOM 1192 C CE . LYS A 1 145 ? 2.125 19.231 19.167 1.00 19.06 ? 145 LYS H CE 1 ATOM 1193 N NZ . LYS A 1 145 ? 0.684 18.814 19.051 1.00 21.05 ? 145 LYS H NZ 1 ATOM 1194 N N . GLU A 1 146 ? 5.319 23.768 18.264 1.00 15.20 ? 146 GLU H N 1 ATOM 1195 C CA . GLU A 1 146 ? 5.212 24.614 19.454 1.00 16.10 ? 146 GLU H CA 1 ATOM 1196 C C . GLU A 1 146 ? 4.127 23.899 20.189 1.00 17.56 ? 146 GLU H C 1 ATOM 1197 O O . GLU A 1 146 ? 3.018 23.800 19.678 1.00 21.44 ? 146 GLU H O 1 ATOM 1198 C CB . GLU A 1 146 ? 4.782 26.025 19.081 1.00 14.48 ? 146 GLU H CB 1 ATOM 1199 C CG . GLU A 1 146 ? 5.922 26.790 18.436 1.00 14.96 ? 146 GLU H CG 1 ATOM 1200 C CD . GLU A 1 146 ? 5.511 28.099 17.776 1.00 15.97 ? 146 GLU H CD 1 ATOM 1201 O OE1 . GLU A 1 146 ? 4.323 28.513 17.854 1.00 18.11 ? 146 GLU H OE1 1 ATOM 1202 O OE2 . GLU A 1 146 ? 6.406 28.706 17.168 1.00 16.42 ? 146 GLU H OE2 1 ATOM 1203 N N . THR A 1 147 ? 4.433 23.359 21.354 1.00 16.40 ? 147 THR H N 1 ATOM 1204 C CA . THR A 1 147 ? 3.456 22.610 22.099 1.00 17.55 ? 147 THR H CA 1 ATOM 1205 C C . THR A 1 147 ? 2.606 23.433 23.066 1.00 18.76 ? 147 THR H C 1 ATOM 1206 O O . THR A 1 147 ? 1.660 22.919 23.653 1.00 19.17 ? 147 THR H O 1 ATOM 1207 C CB . THR A 1 147 ? 4.141 21.448 22.914 1.00 15.88 ? 147 THR H CB 1 ATOM 1208 O OG1 . THR A 1 147 ? 5.091 22.006 23.828 1.00 15.81 ? 147 THR H OG1 1 ATOM 1209 C CG2 . THR A 1 147 ? 4.829 20.438 21.968 1.00 12.79 ? 147 THR H CG2 1 ATOM 1210 N N . TRP A 1 148 ? 2.920 24.709 23.236 1.00 18.90 ? 148 TRP H N 1 ATOM 1211 C CA . TRP A 1 148 ? 2.191 25.513 24.197 1.00 19.17 ? 148 TRP H CA 1 ATOM 1212 C C . TRP A 1 148 ? 0.866 26.046 23.695 1.00 20.41 ? 148 TRP H C 1 ATOM 1213 O O . TRP A 1 148 ? 0.151 26.725 24.429 1.00 21.40 ? 148 TRP H O 1 ATOM 1214 C CB . TRP A 1 148 ? 3.103 26.643 24.727 1.00 16.56 ? 148 TRP H CB 1 ATOM 1215 C CG . TRP A 1 148 ? 3.902 27.319 23.633 1.00 17.09 ? 148 TRP H CG 1 ATOM 1216 C CD1 . TRP A 1 148 ? 5.144 26.928 23.135 1.00 18.27 ? 148 TRP H CD1 1 ATOM 1217 C CD2 . TRP A 1 148 ? 3.521 28.466 22.884 1.00 15.54 ? 148 TRP H CD2 1 ATOM 1218 N NE1 . TRP A 1 148 ? 5.546 27.772 22.124 1.00 17.85 ? 148 TRP H NE1 1 ATOM 1219 C CE2 . TRP A 1 148 ? 4.577 28.735 21.948 1.00 17.24 ? 148 TRP H CE2 1 ATOM 1220 C CE3 . TRP A 1 148 ? 2.397 29.299 22.899 1.00 16.70 ? 148 TRP H CE3 1 ATOM 1221 C CZ2 . TRP A 1 148 ? 4.537 29.814 21.044 1.00 14.93 ? 148 TRP H CZ2 1 ATOM 1222 C CZ3 . TRP A 1 148 ? 2.350 30.386 21.992 1.00 14.72 ? 148 TRP H CZ3 1 ATOM 1223 C CH2 . TRP A 1 148 ? 3.426 30.629 21.079 1.00 15.04 ? 148 TRP H CH2 1 ATOM 1224 N N . THR A 1 149 ? 0.573 25.792 22.428 1.00 21.88 ? 149 THR H N 1 ATOM 1225 C CA . THR A 1 149 ? -0.703 26.174 21.804 1.00 23.93 ? 149 THR H CA 1 ATOM 1226 C C . THR A 1 149 ? -1.088 24.977 20.969 1.00 21.85 ? 149 THR H C 1 ATOM 1227 O O . THR A 1 149 ? -0.218 24.217 20.599 1.00 20.04 ? 149 THR H O 1 ATOM 1228 C CB . THR A 1 149 ? -0.628 27.260 20.724 1.00 26.31 ? 149 THR H CB 1 ATOM 1229 O OG1 . THR A 1 149 ? 0.730 27.676 20.557 1.00 31.19 ? 149 THR H OG1 1 ATOM 1230 C CG2 . THR A 1 149 ? -1.563 28.367 21.036 1.00 24.82 ? 149 THR H CG2 1 ATOM 1231 N N . ALA A 1 150 A -2.377 24.885 20.636 1.00 21.72 ? 149 ALA H N 1 ATOM 1232 C CA . ALA A 1 150 A -2.950 23.805 19.819 1.00 22.42 ? 149 ALA H CA 1 ATOM 1233 C C . ALA A 1 150 A -2.280 23.724 18.455 1.00 22.56 ? 149 ALA H C 1 ATOM 1234 O O . ALA A 1 150 A -2.079 24.744 17.758 1.00 21.04 ? 149 ALA H O 1 ATOM 1235 C CB . ALA A 1 150 A -4.498 24.003 19.661 1.00 20.48 ? 149 ALA H CB 1 ATOM 1236 N N . ASN A 1 151 B -1.927 22.502 18.090 1.00 23.70 ? 149 ASN H N 1 ATOM 1237 C CA . ASN A 1 151 B -1.236 22.253 16.836 1.00 26.73 ? 149 ASN H CA 1 ATOM 1238 C C . ASN A 1 151 B -1.386 20.784 16.446 1.00 28.63 ? 149 ASN H C 1 ATOM 1239 O O . ASN A 1 151 B -1.372 19.900 17.308 1.00 29.71 ? 149 ASN H O 1 ATOM 1240 C CB . ASN A 1 151 B 0.264 22.584 16.972 1.00 27.04 ? 149 ASN H CB 1 ATOM 1241 C CG . ASN A 1 151 B 0.560 24.083 16.818 1.00 31.07 ? 149 ASN H CG 1 ATOM 1242 O OD1 . ASN A 1 151 B 0.236 24.713 15.774 1.00 30.44 ? 149 ASN H OD1 1 ATOM 1243 N ND2 . ASN A 1 151 B 1.178 24.669 17.847 1.00 28.96 ? 149 ASN H ND2 1 ATOM 1244 N N . VAL A 1 152 C -1.504 20.502 15.157 1.00 29.14 ? 149 VAL H N 1 ATOM 1245 C CA . VAL A 1 152 C -1.638 19.107 14.760 1.00 31.16 ? 149 VAL H CA 1 ATOM 1246 C C . VAL A 1 152 C -0.310 18.351 14.971 1.00 30.96 ? 149 VAL H C 1 ATOM 1247 O O . VAL A 1 152 C 0.744 18.963 15.169 1.00 33.46 ? 149 VAL H O 1 ATOM 1248 C CB . VAL A 1 152 C -2.089 18.998 13.281 1.00 30.92 ? 149 VAL H CB 1 ATOM 1249 C CG1 . VAL A 1 152 C -2.203 20.379 12.655 1.00 32.20 ? 149 VAL H CG1 1 ATOM 1250 C CG2 . VAL A 1 152 C -1.074 18.199 12.493 1.00 33.52 ? 149 VAL H CG2 1 ATOM 1251 N N . GLY A 1 153 D -0.352 17.029 14.968 1.00 29.93 ? 149 GLY H N 1 ATOM 1252 C CA . GLY A 1 153 D 0.876 16.260 15.121 1.00 27.99 ? 149 GLY H CA 1 ATOM 1253 C C . GLY A 1 153 D 1.313 15.897 16.526 1.00 26.83 ? 149 GLY H C 1 ATOM 1254 O O . GLY A 1 153 D 0.828 16.479 17.497 1.00 26.97 ? 149 GLY H O 1 ATOM 1255 N N . LYS A 1 154 E 2.230 14.929 16.632 1.00 25.44 ? 149 LYS H N 1 ATOM 1256 C CA . LYS A 1 154 E 2.774 14.476 17.916 1.00 24.14 ? 149 LYS H CA 1 ATOM 1257 C C . LYS A 1 154 E 3.652 15.596 18.443 1.00 20.78 ? 149 LYS H C 1 ATOM 1258 O O . LYS A 1 154 E 4.276 16.283 17.668 1.00 19.46 ? 149 LYS H O 1 ATOM 1259 C CB . LYS A 1 154 E 3.697 13.259 17.751 1.00 27.84 ? 149 LYS H CB 1 ATOM 1260 C CG . LYS A 1 154 E 3.067 11.977 17.267 1.00 34.00 ? 149 LYS H CG 1 ATOM 1261 C CD . LYS A 1 154 E 4.053 10.782 17.373 1.00 37.97 ? 149 LYS H CD 1 ATOM 1262 C CE . LYS A 1 154 E 5.365 10.938 16.537 1.00 41.07 ? 149 LYS H CE 1 ATOM 1263 N NZ . LYS A 1 154 E 6.293 9.681 16.500 1.00 42.89 ? 149 LYS H NZ 1 ATOM 1264 N N . GLY A 1 155 ? 3.726 15.760 19.751 1.00 17.90 ? 150 GLY H N 1 ATOM 1265 C CA . GLY A 1 155 ? 4.567 16.812 20.277 1.00 17.36 ? 150 GLY H CA 1 ATOM 1266 C C . GLY A 1 155 ? 6.034 16.426 20.414 1.00 16.40 ? 150 GLY H C 1 ATOM 1267 O O . GLY A 1 155 ? 6.881 17.286 20.419 1.00 14.72 ? 150 GLY H O 1 ATOM 1268 N N . GLN A 1 156 ? 6.300 15.118 20.482 1.00 16.90 ? 151 GLN H N 1 ATOM 1269 C CA . GLN A 1 156 ? 7.628 14.533 20.689 1.00 17.17 ? 151 GLN H CA 1 ATOM 1270 C C . GLN A 1 156 ? 7.876 13.347 19.787 1.00 15.96 ? 151 GLN H C 1 ATOM 1271 O O . GLN A 1 156 ? 6.958 12.667 19.371 1.00 17.44 ? 151 GLN H O 1 ATOM 1272 C CB . GLN A 1 156 ? 7.722 14.094 22.121 1.00 18.81 ? 151 GLN H CB 1 ATOM 1273 C CG . GLN A 1 156 ? 6.410 14.405 22.730 1.00 25.32 ? 151 GLN H CG 1 ATOM 1274 C CD . GLN A 1 156 ? 6.531 15.423 23.749 1.00 25.46 ? 151 GLN H CD 1 ATOM 1275 O OE1 . GLN A 1 156 ? 6.912 15.097 24.840 1.00 33.44 ? 151 GLN H OE1 1 ATOM 1276 N NE2 . GLN A 1 156 ? 6.242 16.664 23.433 1.00 28.57 ? 151 GLN H NE2 1 ATOM 1277 N N . PRO A 1 157 ? 9.142 13.094 19.459 1.00 14.68 ? 152 PRO H N 1 ATOM 1278 C CA . PRO A 1 157 ? 9.426 11.977 18.583 1.00 12.92 ? 152 PRO H CA 1 ATOM 1279 C C . PRO A 1 157 ? 9.735 10.715 19.327 1.00 13.55 ? 152 PRO H C 1 ATOM 1280 O O . PRO A 1 157 ? 10.074 10.742 20.491 1.00 13.86 ? 152 PRO H O 1 ATOM 1281 C CB . PRO A 1 157 ? 10.634 12.484 17.814 1.00 12.86 ? 152 PRO H CB 1 ATOM 1282 C CG . PRO A 1 157 ? 11.412 13.139 18.874 1.00 11.61 ? 152 PRO H CG 1 ATOM 1283 C CD . PRO A 1 157 ? 10.326 13.968 19.576 1.00 13.83 ? 152 PRO H CD 1 ATOM 1284 N N . SER A 1 158 ? 9.679 9.595 18.644 1.00 14.59 ? 153 SER H N 1 ATOM 1285 C CA . SER A 1 158 ? 10.014 8.358 19.318 1.00 16.67 ? 153 SER H CA 1 ATOM 1286 C C . SER A 1 158 ? 11.493 8.103 19.217 1.00 16.86 ? 153 SER H C 1 ATOM 1287 O O . SER A 1 158 ? 12.069 7.414 20.058 1.00 17.91 ? 153 SER H O 1 ATOM 1288 C CB . SER A 1 158 ? 9.219 7.170 18.772 1.00 15.75 ? 153 SER H CB 1 ATOM 1289 O OG . SER A 1 158 ? 9.231 7.222 17.406 1.00 21.64 ? 153 SER H OG 1 ATOM 1290 N N . VAL A 1 159 ? 12.132 8.778 18.283 1.00 15.88 ? 154 VAL H N 1 ATOM 1291 C CA . VAL A 1 159 ? 13.541 8.558 18.102 1.00 16.27 ? 154 VAL H CA 1 ATOM 1292 C C . VAL A 1 159 ? 14.235 9.924 17.919 1.00 15.53 ? 154 VAL H C 1 ATOM 1293 O O . VAL A 1 159 ? 13.577 10.898 17.572 1.00 14.37 ? 154 VAL H O 1 ATOM 1294 C CB . VAL A 1 159 ? 13.632 7.596 16.845 1.00 17.91 ? 154 VAL H CB 1 ATOM 1295 C CG1 . VAL A 1 159 ? 14.617 8.011 15.910 1.00 17.28 ? 154 VAL H CG1 1 ATOM 1296 C CG2 . VAL A 1 159 ? 13.773 6.143 17.297 1.00 17.87 ? 154 VAL H CG2 1 ATOM 1297 N N . LEU A 1 160 ? 15.543 9.988 18.186 1.00 14.36 ? 155 LEU H N 1 ATOM 1298 C CA . LEU A 1 160 ? 16.347 11.203 17.996 1.00 12.49 ? 155 LEU H CA 1 ATOM 1299 C C . LEU A 1 160 ? 16.129 11.865 16.631 1.00 12.38 ? 155 LEU H C 1 ATOM 1300 O O . LEU A 1 160 ? 16.148 11.216 15.599 1.00 13.28 ? 155 LEU H O 1 ATOM 1301 C CB . LEU A 1 160 ? 17.862 10.880 18.092 1.00 10.31 ? 155 LEU H CB 1 ATOM 1302 C CG . LEU A 1 160 ? 18.901 12.025 18.060 1.00 8.66 ? 155 LEU H CG 1 ATOM 1303 C CD1 . LEU A 1 160 ? 18.805 12.943 19.300 1.00 6.78 ? 155 LEU H CD1 1 ATOM 1304 C CD2 . LEU A 1 160 ? 20.327 11.408 18.025 1.00 9.70 ? 155 LEU H CD2 1 ATOM 1305 N N . GLN A 1 161 ? 15.953 13.166 16.622 1.00 11.99 ? 156 GLN H N 1 ATOM 1306 C CA . GLN A 1 161 ? 15.778 13.868 15.371 1.00 14.83 ? 156 GLN H CA 1 ATOM 1307 C C . GLN A 1 161 ? 17.033 14.645 14.935 1.00 14.54 ? 156 GLN H C 1 ATOM 1308 O O . GLN A 1 161 ? 17.819 15.064 15.810 1.00 15.45 ? 156 GLN H O 1 ATOM 1309 C CB . GLN A 1 161 ? 14.599 14.836 15.530 1.00 14.74 ? 156 GLN H CB 1 ATOM 1310 C CG . GLN A 1 161 ? 13.362 14.062 15.869 1.00 13.77 ? 156 GLN H CG 1 ATOM 1311 C CD . GLN A 1 161 ? 12.803 13.358 14.649 1.00 14.42 ? 156 GLN H CD 1 ATOM 1312 O OE1 . GLN A 1 161 ? 12.286 14.011 13.729 1.00 15.31 ? 156 GLN H OE1 1 ATOM 1313 N NE2 . GLN A 1 161 ? 12.910 12.035 14.626 1.00 13.44 ? 156 GLN H NE2 1 ATOM 1314 N N . VAL A 1 162 ? 17.200 14.830 13.611 1.00 15.43 ? 157 VAL H N 1 ATOM 1315 C CA . VAL A 1 162 ? 18.324 15.627 13.013 1.00 13.89 ? 157 VAL H CA 1 ATOM 1316 C C . VAL A 1 162 ? 17.782 16.645 12.027 1.00 12.91 ? 157 VAL H C 1 ATOM 1317 O O . VAL A 1 162 ? 16.777 16.427 11.355 1.00 10.62 ? 157 VAL H O 1 ATOM 1318 C CB . VAL A 1 162 ? 19.280 14.810 12.167 1.00 15.19 ? 157 VAL H CB 1 ATOM 1319 C CG1 . VAL A 1 162 ? 20.623 14.752 12.869 1.00 15.93 ? 157 VAL H CG1 1 ATOM 1320 C CG2 . VAL A 1 162 ? 18.729 13.426 11.908 1.00 15.49 ? 157 VAL H CG2 1 ATOM 1321 N N . VAL A 1 163 ? 18.491 17.743 11.899 1.00 12.40 ? 158 VAL H N 1 ATOM 1322 C CA . VAL A 1 163 ? 18.118 18.713 10.894 1.00 12.45 ? 158 VAL H CA 1 ATOM 1323 C C . VAL A 1 163 ? 19.363 19.541 10.570 1.00 12.45 ? 158 VAL H C 1 ATOM 1324 O O . VAL A 1 163 ? 20.157 19.837 11.478 1.00 11.55 ? 158 VAL H O 1 ATOM 1325 C CB . VAL A 1 163 ? 16.970 19.618 11.339 1.00 14.18 ? 158 VAL H CB 1 ATOM 1326 C CG1 . VAL A 1 163 ? 17.454 20.684 12.294 1.00 11.24 ? 158 VAL H CG1 1 ATOM 1327 C CG2 . VAL A 1 163 ? 16.323 20.235 10.100 1.00 14.91 ? 158 VAL H CG2 1 ATOM 1328 N N . ASN A 1 164 ? 19.547 19.865 9.277 1.00 11.94 ? 159 ASN H N 1 ATOM 1329 C CA . ASN A 1 164 ? 20.702 20.649 8.811 1.00 12.26 ? 159 ASN H CA 1 ATOM 1330 C C . ASN A 1 164 ? 20.235 22.091 8.630 1.00 12.72 ? 159 ASN H C 1 ATOM 1331 O O . ASN A 1 164 ? 19.211 22.311 8.006 1.00 16.22 ? 159 ASN H O 1 ATOM 1332 C CB . ASN A 1 164 ? 21.276 20.093 7.460 1.00 12.63 ? 159 ASN H CB 1 ATOM 1333 C CG . ASN A 1 164 ? 21.865 18.636 7.582 1.00 12.17 ? 159 ASN H CG 1 ATOM 1334 O OD1 . ASN A 1 164 ? 22.347 18.219 8.639 1.00 9.24 ? 159 ASN H OD1 1 ATOM 1335 N ND2 . ASN A 1 164 ? 21.823 17.885 6.476 1.00 10.44 ? 159 ASN H ND2 1 ATOM 1336 N N . LEU A 1 165 ? 20.995 23.060 9.131 1.00 11.96 ? 160 LEU H N 1 ATOM 1337 C CA . LEU A 1 165 ? 20.600 24.465 9.063 1.00 12.52 ? 160 LEU H CA 1 ATOM 1338 C C . LEU A 1 165 ? 21.721 25.412 8.730 1.00 11.23 ? 160 LEU H C 1 ATOM 1339 O O . LEU A 1 165 ? 22.829 25.289 9.234 1.00 13.78 ? 160 LEU H O 1 ATOM 1340 C CB . LEU A 1 165 ? 19.992 24.899 10.405 1.00 11.56 ? 160 LEU H CB 1 ATOM 1341 C CG . LEU A 1 165 ? 18.765 24.104 10.903 1.00 13.72 ? 160 LEU H CG 1 ATOM 1342 C CD1 . LEU A 1 165 ? 18.489 24.584 12.368 1.00 14.64 ? 160 LEU H CD1 1 ATOM 1343 C CD2 . LEU A 1 165 ? 17.507 24.287 9.982 1.00 13.24 ? 160 LEU H CD2 1 ATOM 1344 N N . PRO A 1 166 ? 21.450 26.386 7.867 1.00 12.51 ? 161 PRO H N 1 ATOM 1345 C CA . PRO A 1 166 ? 22.474 27.372 7.472 1.00 12.59 ? 161 PRO H CA 1 ATOM 1346 C C . PRO A 1 166 ? 22.733 28.466 8.517 1.00 13.09 ? 161 PRO H C 1 ATOM 1347 O O . PRO A 1 166 ? 21.797 29.046 9.015 1.00 12.22 ? 161 PRO H O 1 ATOM 1348 C CB . PRO A 1 166 ? 21.884 27.969 6.185 1.00 12.90 ? 161 PRO H CB 1 ATOM 1349 C CG . PRO A 1 166 ? 20.368 27.848 6.423 1.00 11.51 ? 161 PRO H CG 1 ATOM 1350 C CD . PRO A 1 166 ? 20.237 26.496 7.026 1.00 12.11 ? 161 PRO H CD 1 ATOM 1351 N N . ILE A 1 167 ? 23.993 28.767 8.801 1.00 14.06 ? 162 ILE H N 1 ATOM 1352 C CA . ILE A 1 167 ? 24.306 29.845 9.754 1.00 14.40 ? 162 ILE H CA 1 ATOM 1353 C C . ILE A 1 167 ? 23.802 31.141 9.101 1.00 16.04 ? 162 ILE H C 1 ATOM 1354 O O . ILE A 1 167 ? 23.828 31.272 7.856 1.00 14.35 ? 162 ILE H O 1 ATOM 1355 C CB . ILE A 1 167 ? 25.812 29.942 9.984 1.00 13.56 ? 162 ILE H CB 1 ATOM 1356 C CG1 . ILE A 1 167 ? 26.273 28.774 10.856 1.00 16.10 ? 162 ILE H CG1 1 ATOM 1357 C CG2 . ILE A 1 167 ? 26.198 31.251 10.616 1.00 10.92 ? 162 ILE H CG2 1 ATOM 1358 C CD1 . ILE A 1 167 ? 27.811 28.473 10.774 1.00 13.75 ? 162 ILE H CD1 1 ATOM 1359 N N . VAL A 1 168 ? 23.381 32.107 9.916 1.00 16.42 ? 163 VAL H N 1 ATOM 1360 C CA . VAL A 1 168 ? 22.838 33.351 9.347 1.00 17.54 ? 163 VAL H CA 1 ATOM 1361 C C . VAL A 1 168 ? 23.697 34.563 9.686 1.00 17.60 ? 163 VAL H C 1 ATOM 1362 O O . VAL A 1 168 ? 24.303 34.569 10.729 1.00 16.43 ? 163 VAL H O 1 ATOM 1363 C CB . VAL A 1 168 ? 21.318 33.504 9.816 1.00 18.21 ? 163 VAL H CB 1 ATOM 1364 C CG1 . VAL A 1 168 ? 20.799 34.943 9.691 1.00 18.47 ? 163 VAL H CG1 1 ATOM 1365 C CG2 . VAL A 1 168 ? 20.451 32.543 9.004 1.00 15.91 ? 163 VAL H CG2 1 ATOM 1366 N N . GLU A 1 169 ? 23.760 35.548 8.775 1.00 19.21 ? 164 GLU H N 1 ATOM 1367 C CA . GLU A 1 169 ? 24.539 36.795 8.954 1.00 20.14 ? 164 GLU H CA 1 ATOM 1368 C C . GLU A 1 169 ? 24.080 37.470 10.208 1.00 19.71 ? 164 GLU H C 1 ATOM 1369 O O . GLU A 1 169 ? 22.861 37.600 10.418 1.00 19.81 ? 164 GLU H O 1 ATOM 1370 C CB . GLU A 1 169 ? 24.271 37.820 7.858 1.00 23.58 ? 164 GLU H CB 1 ATOM 1371 C CG . GLU A 1 169 ? 24.496 37.398 6.453 1.00 28.66 ? 164 GLU H CG 1 ATOM 1372 C CD . GLU A 1 169 ? 23.382 36.544 5.941 1.00 32.02 ? 164 GLU H CD 1 ATOM 1373 O OE1 . GLU A 1 169 ? 22.332 36.471 6.580 1.00 34.10 ? 164 GLU H OE1 1 ATOM 1374 O OE2 . GLU A 1 169 ? 23.560 35.942 4.875 1.00 36.31 ? 164 GLU H OE2 1 ATOM 1375 N N . ARG A 1 170 ? 25.044 37.948 10.993 1.00 19.10 ? 165 ARG H N 1 ATOM 1376 C CA . ARG A 1 170 ? 24.780 38.595 12.258 1.00 21.07 ? 165 ARG H CA 1 ATOM 1377 C C . ARG A 1 170 ? 23.808 39.784 12.168 1.00 20.98 ? 165 ARG H C 1 ATOM 1378 O O . ARG A 1 170 ? 23.008 39.986 13.053 1.00 21.64 ? 165 ARG H O 1 ATOM 1379 C CB . ARG A 1 170 ? 26.116 38.993 12.954 1.00 20.97 ? 165 ARG H CB 1 ATOM 1380 C CG . ARG A 1 170 ? 25.921 39.680 14.371 1.00 22.54 ? 165 ARG H CG 1 ATOM 1381 C CD . ARG A 1 170 ? 27.180 39.638 15.220 1.00 22.70 ? 165 ARG H CD 1 ATOM 1382 N NE . ARG A 1 170 ? 27.734 38.271 15.275 1.00 24.21 ? 165 ARG H NE 1 ATOM 1383 C CZ . ARG A 1 170 ? 27.450 37.362 16.212 1.00 23.06 ? 165 ARG H CZ 1 ATOM 1384 N NH1 . ARG A 1 170 ? 26.615 37.659 17.212 1.00 23.91 ? 165 ARG H NH1 1 ATOM 1385 N NH2 . ARG A 1 170 ? 27.961 36.131 16.116 1.00 22.76 ? 165 ARG H NH2 1 ATOM 1386 N N . PRO A 1 171 ? 23.845 40.562 11.077 1.00 21.53 ? 166 PRO H N 1 ATOM 1387 C CA . PRO A 1 171 ? 22.875 41.664 11.090 1.00 21.37 ? 166 PRO H CA 1 ATOM 1388 C C . PRO A 1 171 ? 21.434 41.148 11.062 1.00 21.16 ? 166 PRO H C 1 ATOM 1389 O O . PRO A 1 171 ? 20.553 41.697 11.728 1.00 22.05 ? 166 PRO H O 1 ATOM 1390 C CB . PRO A 1 171 ? 23.257 42.484 9.840 1.00 22.89 ? 166 PRO H CB 1 ATOM 1391 C CG . PRO A 1 171 ? 24.819 42.240 9.766 1.00 21.34 ? 166 PRO H CG 1 ATOM 1392 C CD . PRO A 1 171 ? 24.886 40.749 10.048 1.00 20.85 ? 166 PRO H CD 1 ATOM 1393 N N . VAL A 1 172 ? 21.207 40.082 10.310 1.00 19.48 ? 167 VAL H N 1 ATOM 1394 C CA . VAL A 1 172 ? 19.891 39.515 10.220 1.00 19.04 ? 167 VAL H CA 1 ATOM 1395 C C . VAL A 1 172 ? 19.493 38.895 11.558 1.00 18.97 ? 167 VAL H C 1 ATOM 1396 O O . VAL A 1 172 ? 18.323 39.025 11.968 1.00 16.81 ? 167 VAL H O 1 ATOM 1397 C CB . VAL A 1 172 ? 19.802 38.447 9.113 1.00 20.21 ? 167 VAL H CB 1 ATOM 1398 C CG1 . VAL A 1 172 ? 18.371 37.763 9.134 1.00 18.79 ? 167 VAL H CG1 1 ATOM 1399 C CG2 . VAL A 1 172 ? 20.033 39.105 7.795 1.00 17.87 ? 167 VAL H CG2 1 ATOM 1400 N N . CYS A 1 173 ? 20.471 38.273 12.243 1.00 17.38 ? 168 CYS H N 1 ATOM 1401 C CA . CYS A 1 173 ? 20.190 37.664 13.529 1.00 18.07 ? 168 CYS H CA 1 ATOM 1402 C C . CYS A 1 173 ? 19.762 38.825 14.445 1.00 19.92 ? 168 CYS H C 1 ATOM 1403 O O . CYS A 1 173 ? 18.726 38.773 15.125 1.00 20.09 ? 168 CYS H O 1 ATOM 1404 C CB . CYS A 1 173 ? 21.429 36.982 14.144 1.00 16.81 ? 168 CYS H CB 1 ATOM 1405 S SG . CYS A 1 173 ? 22.085 35.556 13.239 1.00 18.24 ? 168 CYS H SG 1 ATOM 1406 N N . LYS A 1 174 ? 20.587 39.871 14.450 1.00 19.84 ? 169 LYS H N 1 ATOM 1407 C CA . LYS A 1 174 ? 20.334 41.036 15.264 1.00 20.15 ? 169 LYS H CA 1 ATOM 1408 C C . LYS A 1 174 ? 18.932 41.664 14.962 1.00 20.60 ? 169 LYS H C 1 ATOM 1409 O O . LYS A 1 174 ? 18.153 41.923 15.877 1.00 18.93 ? 169 LYS H O 1 ATOM 1410 C CB . LYS A 1 174 ? 21.482 42.007 15.032 1.00 20.74 ? 169 LYS H CB 1 ATOM 1411 C CG . LYS A 1 174 ? 21.275 43.393 15.521 1.00 23.88 ? 169 LYS H CG 1 ATOM 1412 C CD . LYS A 1 174 ? 21.152 43.440 17.005 1.00 28.09 ? 169 LYS H CD 1 ATOM 1413 C CE . LYS A 1 174 ? 22.180 44.469 17.540 1.00 30.07 ? 169 LYS H CE 1 ATOM 1414 N NZ . LYS A 1 174 ? 22.164 45.703 16.728 1.00 32.49 ? 169 LYS H NZ 1 ATOM 1415 N N . ASP A 1 175 ? 18.568 41.851 13.699 1.00 20.17 ? 170 ASP H N 1 ATOM 1416 C CA . ASP A 1 175 ? 17.264 42.458 13.450 1.00 20.98 ? 170 ASP H CA 1 ATOM 1417 C C . ASP A 1 175 ? 16.046 41.545 13.594 1.00 21.77 ? 170 ASP H C 1 ATOM 1418 O O . ASP A 1 175 ? 14.908 41.995 13.536 1.00 22.81 ? 170 ASP H O 1 ATOM 1419 C CB . ASP A 1 175 ? 17.212 43.075 12.061 1.00 20.70 ? 170 ASP H CB 1 ATOM 1420 C CG . ASP A 1 175 ? 18.241 44.221 11.866 1.00 23.69 ? 170 ASP H CG 1 ATOM 1421 O OD1 . ASP A 1 175 ? 18.411 44.632 10.707 1.00 26.51 ? 170 ASP H OD1 1 ATOM 1422 O OD2 . ASP A 1 175 ? 18.879 44.709 12.829 1.00 23.89 ? 170 ASP H OD2 1 ATOM 1423 N N . SER A 1 176 ? 16.259 40.265 13.780 1.00 20.28 ? 171 SER H N 1 ATOM 1424 C CA . SER A 1 176 ? 15.124 39.385 13.828 1.00 17.89 ? 171 SER H CA 1 ATOM 1425 C C . SER A 1 176 ? 14.512 39.278 15.226 1.00 16.38 ? 171 SER H C 1 ATOM 1426 O O . SER A 1 176 ? 13.471 38.652 15.361 1.00 15.62 ? 171 SER H O 1 ATOM 1427 C CB . SER A 1 176 ? 15.559 37.973 13.394 1.00 17.10 ? 171 SER H CB 1 ATOM 1428 O OG . SER A 1 176 ? 16.313 37.412 14.460 1.00 16.18 ? 171 SER H OG 1 ATOM 1429 N N . THR A 1 177 ? 15.160 39.856 16.239 1.00 14.97 ? 172 THR H N 1 ATOM 1430 C CA . THR A 1 177 ? 14.692 39.755 17.622 1.00 15.46 ? 172 THR H CA 1 ATOM 1431 C C . THR A 1 177 ? 14.979 41.030 18.479 1.00 17.78 ? 172 THR H C 1 ATOM 1432 O O . THR A 1 177 ? 15.974 41.748 18.283 1.00 15.96 ? 172 THR H O 1 ATOM 1433 C CB . THR A 1 177 ? 15.399 38.538 18.339 1.00 14.68 ? 172 THR H CB 1 ATOM 1434 O OG1 . THR A 1 177 ? 14.917 38.379 19.680 1.00 13.15 ? 172 THR H OG1 1 ATOM 1435 C CG2 . THR A 1 177 ? 16.884 38.792 18.449 1.00 11.66 ? 172 THR H CG2 1 ATOM 1436 N N . ARG A 1 178 ? 14.120 41.255 19.459 1.00 17.39 ? 173 ARG H N 1 ATOM 1437 C CA . ARG A 1 178 ? 14.297 42.375 20.342 1.00 21.26 ? 173 ARG H CA 1 ATOM 1438 C C . ARG A 1 178 ? 15.156 41.950 21.525 1.00 20.93 ? 173 ARG H C 1 ATOM 1439 O O . ARG A 1 178 ? 15.505 42.784 22.357 1.00 20.62 ? 173 ARG H O 1 ATOM 1440 C CB . ARG A 1 178 ? 12.943 42.893 20.825 1.00 24.76 ? 173 ARG H CB 1 ATOM 1441 C CG . ARG A 1 178 ? 12.126 43.485 19.716 1.00 28.00 ? 173 ARG H CG 1 ATOM 1442 C CD . ARG A 1 178 ? 12.235 44.966 19.704 1.00 36.01 ? 173 ARG H CD 1 ATOM 1443 N NE . ARG A 1 178 ? 11.190 45.603 20.534 1.00 42.15 ? 173 ARG H NE 1 ATOM 1444 C CZ . ARG A 1 178 ? 9.880 45.374 20.393 1.00 44.89 ? 173 ARG H CZ 1 ATOM 1445 N NH1 . ARG A 1 178 ? 9.440 44.516 19.454 1.00 45.52 ? 173 ARG H NH1 1 ATOM 1446 N NH2 . ARG A 1 178 ? 9.007 45.999 21.189 1.00 45.53 ? 173 ARG H NH2 1 ATOM 1447 N N . ILE A 1 179 ? 15.464 40.656 21.640 1.00 19.10 ? 174 ILE H N 1 ATOM 1448 C CA . ILE A 1 179 ? 16.371 40.246 22.714 1.00 19.83 ? 174 ILE H CA 1 ATOM 1449 C C . ILE A 1 179 ? 17.774 40.698 22.279 1.00 20.49 ? 174 ILE H C 1 ATOM 1450 O O . ILE A 1 179 ? 18.126 40.600 21.112 1.00 20.05 ? 174 ILE H O 1 ATOM 1451 C CB . ILE A 1 179 ? 16.293 38.742 22.957 1.00 19.90 ? 174 ILE H CB 1 ATOM 1452 C CG1 . ILE A 1 179 ? 15.051 38.509 23.822 1.00 20.42 ? 174 ILE H CG1 1 ATOM 1453 C CG2 . ILE A 1 179 ? 17.542 38.235 23.716 1.00 21.24 ? 174 ILE H CG2 1 ATOM 1454 C CD1 . ILE A 1 179 ? 14.558 37.137 23.847 1.00 23.98 ? 174 ILE H CD1 1 ATOM 1455 N N . ARG A 1 180 ? 18.557 41.236 23.202 1.00 20.54 ? 175 ARG H N 1 ATOM 1456 C CA . ARG A 1 180 ? 19.880 41.726 22.833 1.00 22.17 ? 175 ARG H CA 1 ATOM 1457 C C . ARG A 1 180 ? 20.853 40.588 22.570 1.00 21.99 ? 175 ARG H C 1 ATOM 1458 O O . ARG A 1 180 ? 21.231 39.850 23.487 1.00 21.05 ? 175 ARG H O 1 ATOM 1459 C CB . ARG A 1 180 ? 20.426 42.653 23.924 1.00 22.85 ? 175 ARG H CB 1 ATOM 1460 C CG . ARG A 1 180 ? 21.750 43.321 23.566 1.00 25.37 ? 175 ARG H CG 1 ATOM 1461 C CD . ARG A 1 180 ? 22.241 44.241 24.759 1.00 28.02 ? 175 ARG H CD 1 ATOM 1462 N NE . ARG A 1 180 ? 22.613 43.448 25.920 1.00 29.85 ? 175 ARG H NE 1 ATOM 1463 C CZ . ARG A 1 180 ? 23.808 42.873 26.086 1.00 32.17 ? 175 ARG H CZ 1 ATOM 1464 N NH1 . ARG A 1 180 ? 24.770 43.000 25.174 1.00 30.36 ? 175 ARG H NH1 1 ATOM 1465 N NH2 . ARG A 1 180 ? 24.052 42.161 27.178 1.00 34.68 ? 175 ARG H NH2 1 ATOM 1466 N N . ILE A 1 181 ? 21.251 40.481 21.309 1.00 21.19 ? 176 ILE H N 1 ATOM 1467 C CA . ILE A 1 181 ? 22.156 39.445 20.814 1.00 21.04 ? 176 ILE H CA 1 ATOM 1468 C C . ILE A 1 181 ? 23.566 39.736 21.315 1.00 21.04 ? 176 ILE H C 1 ATOM 1469 O O . ILE A 1 181 ? 23.847 40.857 21.658 1.00 20.54 ? 176 ILE H O 1 ATOM 1470 C CB . ILE A 1 181 ? 22.001 39.423 19.261 1.00 21.93 ? 176 ILE H CB 1 ATOM 1471 C CG1 . ILE A 1 181 ? 20.992 38.364 18.924 1.00 22.04 ? 176 ILE H CG1 1 ATOM 1472 C CG2 . ILE A 1 181 ? 23.254 39.220 18.506 1.00 23.36 ? 176 ILE H CG2 1 ATOM 1473 C CD1 . ILE A 1 181 ? 19.824 38.474 19.725 1.00 20.66 ? 176 ILE H CD1 1 ATOM 1474 N N . THR A 1 182 ? 24.444 38.738 21.347 1.00 19.71 ? 177 THR H N 1 ATOM 1475 C CA . THR A 1 182 ? 25.806 38.911 21.858 1.00 20.71 ? 177 THR H CA 1 ATOM 1476 C C . THR A 1 182 ? 26.858 38.173 20.967 1.00 20.08 ? 177 THR H C 1 ATOM 1477 O O . THR A 1 182 ? 26.514 37.275 20.226 1.00 18.63 ? 177 THR H O 1 ATOM 1478 C CB . THR A 1 182 ? 25.817 38.329 23.306 1.00 23.77 ? 177 THR H CB 1 ATOM 1479 O OG1 . THR A 1 182 ? 25.774 39.372 24.284 1.00 25.31 ? 177 THR H OG1 1 ATOM 1480 C CG2 . THR A 1 182 ? 26.923 37.414 23.493 1.00 19.37 ? 177 THR H CG2 1 ATOM 1481 N N . ASP A 1 183 ? 28.123 38.556 21.029 1.00 18.34 ? 178 ASP H N 1 ATOM 1482 C CA . ASP A 1 183 ? 29.094 37.818 20.255 1.00 18.94 ? 178 ASP H CA 1 ATOM 1483 C C . ASP A 1 183 ? 29.245 36.361 20.750 1.00 18.23 ? 178 ASP H C 1 ATOM 1484 O O . ASP A 1 183 ? 29.829 35.531 20.062 1.00 18.16 ? 178 ASP H O 1 ATOM 1485 C CB . ASP A 1 183 ? 30.455 38.519 20.232 1.00 18.94 ? 178 ASP H CB 1 ATOM 1486 C CG . ASP A 1 183 ? 30.416 39.837 19.460 1.00 20.97 ? 178 ASP H CG 1 ATOM 1487 O OD1 . ASP A 1 183 ? 29.536 40.024 18.575 1.00 22.81 ? 178 ASP H OD1 1 ATOM 1488 O OD2 . ASP A 1 183 ? 31.263 40.689 19.754 1.00 23.15 ? 178 ASP H OD2 1 ATOM 1489 N N . ASN A 1 184 ? 28.717 36.050 21.924 1.00 16.27 ? 179 ASN H N 1 ATOM 1490 C CA . ASN A 1 184 ? 28.751 34.679 22.392 1.00 15.89 ? 179 ASN H CA 1 ATOM 1491 C C . ASN A 1 184 ? 27.644 33.789 21.852 1.00 15.49 ? 179 ASN H C 1 ATOM 1492 O O . ASN A 1 184 ? 27.455 32.636 22.294 1.00 15.17 ? 179 ASN H O 1 ATOM 1493 C CB . ASN A 1 184 ? 28.774 34.677 23.873 1.00 14.57 ? 179 ASN H CB 1 ATOM 1494 C CG . ASN A 1 184 ? 29.985 35.417 24.376 1.00 19.56 ? 179 ASN H CG 1 ATOM 1495 O OD1 . ASN A 1 184 ? 31.118 35.150 23.916 1.00 19.07 ? 179 ASN H OD1 1 ATOM 1496 N ND2 . ASN A 1 184 ? 29.768 36.383 25.281 1.00 20.50 ? 179 ASN H ND2 1 ATOM 1497 N N . MET A 1 185 ? 26.918 34.328 20.887 1.00 14.95 ? 180 MET H N 1 ATOM 1498 C CA . MET A 1 185 ? 25.820 33.598 20.269 1.00 15.83 ? 180 MET H CA 1 ATOM 1499 C C . MET A 1 185 ? 25.969 33.727 18.759 1.00 15.58 ? 180 MET H C 1 ATOM 1500 O O . MET A 1 185 ? 26.697 34.559 18.283 1.00 15.15 ? 180 MET H O 1 ATOM 1501 C CB . MET A 1 185 ? 24.475 34.242 20.617 1.00 17.34 ? 180 MET H CB 1 ATOM 1502 C CG . MET A 1 185 ? 24.269 34.699 22.062 1.00 17.99 ? 180 MET H CG 1 ATOM 1503 S SD . MET A 1 185 ? 22.719 35.665 22.143 1.00 18.28 ? 180 MET H SD 1 ATOM 1504 C CE . MET A 1 185 ? 22.785 36.100 23.985 1.00 13.56 ? 180 MET H CE 1 ATOM 1505 N N . PHE A 1 186 ? 25.241 32.890 18.039 1.00 15.46 ? 181 PHE H N 1 ATOM 1506 C CA . PHE A 1 186 ? 25.153 32.932 16.600 1.00 15.35 ? 181 PHE H CA 1 ATOM 1507 C C . PHE A 1 186 ? 23.781 32.296 16.289 1.00 17.05 ? 181 PHE H C 1 ATOM 1508 O O . PHE A 1 186 ? 23.262 31.472 17.102 1.00 16.98 ? 181 PHE H O 1 ATOM 1509 C CB . PHE A 1 186 ? 26.332 32.214 15.924 1.00 13.51 ? 181 PHE H CB 1 ATOM 1510 C CG . PHE A 1 186 ? 26.301 30.699 15.980 1.00 12.52 ? 181 PHE H CG 1 ATOM 1511 C CD1 . PHE A 1 186 ? 25.476 29.964 15.129 1.00 10.44 ? 181 PHE H CD1 1 ATOM 1512 C CD2 . PHE A 1 186 ? 27.193 30.006 16.797 1.00 12.31 ? 181 PHE H CD2 1 ATOM 1513 C CE1 . PHE A 1 186 ? 25.528 28.570 15.071 1.00 9.61 ? 181 PHE H CE1 1 ATOM 1514 C CE2 . PHE A 1 186 ? 27.270 28.568 16.753 1.00 11.80 ? 181 PHE H CE2 1 ATOM 1515 C CZ . PHE A 1 186 ? 26.441 27.862 15.895 1.00 8.36 ? 181 PHE H CZ 1 ATOM 1516 N N . CYS A 1 187 ? 23.147 32.715 15.182 1.00 15.02 ? 182 CYS H N 1 ATOM 1517 C CA . CYS A 1 187 ? 21.865 32.129 14.852 1.00 15.29 ? 182 CYS H CA 1 ATOM 1518 C C . CYS A 1 187 ? 21.966 31.333 13.573 1.00 14.82 ? 182 CYS H C 1 ATOM 1519 O O . CYS A 1 187 ? 22.939 31.483 12.814 1.00 16.74 ? 182 CYS H O 1 ATOM 1520 C CB . CYS A 1 187 ? 20.758 33.205 14.808 1.00 14.93 ? 182 CYS H CB 1 ATOM 1521 S SG . CYS A 1 187 ? 20.554 34.201 13.279 1.00 18.85 ? 182 CYS H SG 1 ATOM 1522 N N . ALA A 1 188 ? 21.015 30.425 13.364 1.00 14.06 ? 183 ALA H N 1 ATOM 1523 C CA . ALA A 1 188 ? 20.958 29.615 12.155 1.00 12.77 ? 183 ALA H CA 1 ATOM 1524 C C . ALA A 1 188 ? 19.503 29.277 11.779 1.00 14.07 ? 183 ALA H C 1 ATOM 1525 O O . ALA A 1 188 ? 18.604 29.253 12.633 1.00 13.27 ? 183 ALA H O 1 ATOM 1526 C CB . ALA A 1 188 ? 21.740 28.353 12.364 1.00 12.91 ? 183 ALA H CB 1 ATOM 1527 N N . GLY A 1 189 ? 19.279 28.985 10.507 1.00 13.70 ? 184 GLY H N 1 ATOM 1528 C CA . GLY A 1 189 ? 17.945 28.641 10.048 1.00 14.16 ? 184 GLY H CA 1 ATOM 1529 C C . GLY A 1 189 ? 17.696 29.237 8.661 1.00 16.04 ? 184 GLY H C 1 ATOM 1530 O O . GLY A 1 189 ? 18.392 30.146 8.241 1.00 13.90 ? 184 GLY H O 1 ATOM 1531 N N . TYR A 1 190 A 16.731 28.718 7.930 1.00 15.99 ? 184 TYR H N 1 ATOM 1532 C CA . TYR A 1 190 A 16.485 29.288 6.613 1.00 18.94 ? 184 TYR H CA 1 ATOM 1533 C C . TYR A 1 190 A 15.663 30.586 6.705 1.00 19.98 ? 184 TYR H C 1 ATOM 1534 O O . TYR A 1 190 A 14.885 30.802 7.664 1.00 18.56 ? 184 TYR H O 1 ATOM 1535 C CB . TYR A 1 190 A 15.725 28.307 5.747 1.00 17.42 ? 184 TYR H CB 1 ATOM 1536 C CG . TYR A 1 190 A 16.526 27.083 5.422 1.00 17.05 ? 184 TYR H CG 1 ATOM 1537 C CD1 . TYR A 1 190 A 17.467 27.104 4.400 1.00 19.07 ? 184 TYR H CD1 1 ATOM 1538 C CD2 . TYR A 1 190 A 16.338 25.893 6.126 1.00 17.02 ? 184 TYR H CD2 1 ATOM 1539 C CE1 . TYR A 1 190 A 18.227 25.950 4.055 1.00 16.85 ? 184 TYR H CE1 1 ATOM 1540 C CE2 . TYR A 1 190 A 17.073 24.753 5.822 1.00 17.36 ? 184 TYR H CE2 1 ATOM 1541 C CZ . TYR A 1 190 A 18.026 24.790 4.771 1.00 18.49 ? 184 TYR H CZ 1 ATOM 1542 O OH . TYR A 1 190 A 18.758 23.678 4.451 1.00 18.22 ? 184 TYR H OH 1 ATOM 1543 N N . LYS A 1 191 ? 15.863 31.453 5.720 1.00 19.62 ? 185 LYS H N 1 ATOM 1544 C CA . LYS A 1 191 ? 15.086 32.678 5.644 1.00 21.45 ? 185 LYS H CA 1 ATOM 1545 C C . LYS A 1 191 ? 13.738 32.360 4.942 1.00 22.47 ? 185 LYS H C 1 ATOM 1546 O O . LYS A 1 191 ? 13.597 31.342 4.274 1.00 21.77 ? 185 LYS H O 1 ATOM 1547 C CB . LYS A 1 191 ? 15.861 33.709 4.852 1.00 21.60 ? 185 LYS H CB 1 ATOM 1548 C CG . LYS A 1 191 ? 17.144 34.130 5.491 1.00 22.86 ? 185 LYS H CG 1 ATOM 1549 C CD . LYS A 1 191 ? 18.019 34.731 4.392 1.00 23.19 ? 185 LYS H CD 1 ATOM 1550 C CE . LYS A 1 191 ? 18.980 35.739 4.953 1.00 25.63 ? 185 LYS H CE 1 ATOM 1551 N NZ . LYS A 1 191 ? 20.403 35.278 4.894 1.00 28.43 ? 185 LYS H NZ 1 ATOM 1552 N N . PRO A 1 192 ? 12.728 33.229 5.106 1.00 24.00 ? 186 PRO H N 1 ATOM 1553 C CA . PRO A 1 192 ? 11.404 33.049 4.494 1.00 26.30 ? 186 PRO H CA 1 ATOM 1554 C C . PRO A 1 192 ? 11.475 32.875 2.972 1.00 28.00 ? 186 PRO H C 1 ATOM 1555 O O . PRO A 1 192 ? 10.714 32.126 2.405 1.00 27.76 ? 186 PRO H O 1 ATOM 1556 C CB . PRO A 1 192 ? 10.669 34.330 4.872 1.00 26.02 ? 186 PRO H CB 1 ATOM 1557 C CG . PRO A 1 192 ? 11.360 34.760 6.121 1.00 25.24 ? 186 PRO H CG 1 ATOM 1558 C CD . PRO A 1 192 ? 12.800 34.512 5.822 1.00 24.21 ? 186 PRO H CD 1 ATOM 1559 N N . ASP A 1 193 A 12.402 33.548 2.310 1.00 30.33 ? 186 ASP H N 1 ATOM 1560 C CA . ASP A 1 193 A 12.466 33.390 0.869 1.00 34.58 ? 186 ASP H CA 1 ATOM 1561 C C . ASP A 1 193 A 13.342 32.228 0.403 1.00 34.74 ? 186 ASP H C 1 ATOM 1562 O O . ASP A 1 193 A 13.649 32.135 -0.793 1.00 35.40 ? 186 ASP H O 1 ATOM 1563 C CB . ASP A 1 193 A 12.900 34.709 0.165 1.00 37.26 ? 186 ASP H CB 1 ATOM 1564 C CG . ASP A 1 193 A 14.287 35.211 0.611 1.00 41.65 ? 186 ASP H CG 1 ATOM 1565 O OD1 . ASP A 1 193 A 15.177 34.374 0.942 1.00 43.20 ? 186 ASP H OD1 1 ATOM 1566 O OD2 . ASP A 1 193 A 14.496 36.458 0.617 1.00 43.77 ? 186 ASP H OD2 1 ATOM 1567 N N . GLU A 1 194 B 13.759 31.353 1.320 1.00 34.18 ? 186 GLU H N 1 ATOM 1568 C CA . GLU A 1 194 B 14.571 30.201 0.920 1.00 32.34 ? 186 GLU H CA 1 ATOM 1569 C C . GLU A 1 194 B 13.742 28.946 0.780 1.00 31.94 ? 186 GLU H C 1 ATOM 1570 O O . GLU A 1 194 B 14.182 27.945 0.236 1.00 31.26 ? 186 GLU H O 1 ATOM 1571 C CB . GLU A 1 194 B 15.734 29.971 1.877 1.00 32.92 ? 186 GLU H CB 1 ATOM 1572 C CG . GLU A 1 194 B 16.794 31.034 1.742 1.00 32.94 ? 186 GLU H CG 1 ATOM 1573 C CD . GLU A 1 194 B 17.922 30.891 2.747 1.00 36.13 ? 186 GLU H CD 1 ATOM 1574 O OE1 . GLU A 1 194 B 17.665 30.646 3.946 1.00 35.16 ? 186 GLU H OE1 1 ATOM 1575 O OE2 . GLU A 1 194 B 19.091 31.054 2.339 1.00 38.53 ? 186 GLU H OE2 1 ATOM 1576 N N . GLY A 1 195 C 12.523 28.970 1.273 1.00 31.99 ? 186 GLY H N 1 ATOM 1577 C CA . GLY A 1 195 C 11.702 27.794 1.079 1.00 32.18 ? 186 GLY H CA 1 ATOM 1578 C C . GLY A 1 195 C 12.181 26.414 1.525 1.00 32.60 ? 186 GLY H C 1 ATOM 1579 O O . GLY A 1 195 C 11.965 25.404 0.824 1.00 32.89 ? 186 GLY H O 1 ATOM 1580 N N . LYS A 1 196 D 12.875 26.379 2.658 1.00 30.78 ? 186 LYS H N 1 ATOM 1581 C CA . LYS A 1 196 D 13.277 25.139 3.307 1.00 28.66 ? 186 LYS H CA 1 ATOM 1582 C C . LYS A 1 196 D 13.046 25.572 4.750 1.00 26.54 ? 186 LYS H C 1 ATOM 1583 O O . LYS A 1 196 D 13.105 26.768 5.044 1.00 24.04 ? 186 LYS H O 1 ATOM 1584 C CB . LYS A 1 196 D 14.726 24.790 3.034 1.00 30.37 ? 186 LYS H CB 1 ATOM 1585 C CG . LYS A 1 196 D 14.863 23.964 1.810 1.00 33.36 ? 186 LYS H CG 1 ATOM 1586 C CD . LYS A 1 196 D 16.286 23.942 1.253 1.00 36.92 ? 186 LYS H CD 1 ATOM 1587 C CE . LYS A 1 196 D 16.942 22.581 1.440 1.00 38.32 ? 186 LYS H CE 1 ATOM 1588 N NZ . LYS A 1 196 D 17.124 22.309 2.899 1.00 38.85 ? 186 LYS H NZ 1 ATOM 1589 N N . ARG A 1 197 ? 12.789 24.608 5.632 1.00 24.77 ? 187 ARG H N 1 ATOM 1590 C CA . ARG A 1 197 ? 12.477 24.876 7.040 1.00 21.94 ? 187 ARG H CA 1 ATOM 1591 C C . ARG A 1 197 ? 13.348 24.074 8.023 1.00 20.01 ? 187 ARG H C 1 ATOM 1592 O O . ARG A 1 197 ? 14.240 23.338 7.636 1.00 19.31 ? 187 ARG H O 1 ATOM 1593 C CB . ARG A 1 197 ? 11.004 24.480 7.272 1.00 21.93 ? 187 ARG H CB 1 ATOM 1594 C CG . ARG A 1 197 ? 10.047 25.069 6.259 1.00 24.52 ? 187 ARG H CG 1 ATOM 1595 C CD . ARG A 1 197 ? 8.639 25.020 6.740 1.00 24.70 ? 187 ARG H CD 1 ATOM 1596 N NE . ARG A 1 197 ? 8.464 26.049 7.749 1.00 25.16 ? 187 ARG H NE 1 ATOM 1597 C CZ . ARG A 1 197 ? 8.335 27.338 7.483 1.00 26.17 ? 187 ARG H CZ 1 ATOM 1598 N NH1 . ARG A 1 197 ? 8.339 27.739 6.228 1.00 27.19 ? 187 ARG H NH1 1 ATOM 1599 N NH2 . ARG A 1 197 ? 8.270 28.227 8.475 1.00 24.55 ? 187 ARG H NH2 1 ATOM 1600 N N . GLY A 1 198 ? 13.025 24.200 9.307 1.00 17.42 ? 188 GLY H N 1 ATOM 1601 C CA . GLY A 1 198 ? 13.717 23.467 10.325 1.00 16.49 ? 188 GLY H CA 1 ATOM 1602 C C . GLY A 1 198 ? 14.197 24.358 11.431 1.00 14.49 ? 188 GLY H C 1 ATOM 1603 O O . GLY A 1 198 ? 14.604 25.491 11.202 1.00 15.07 ? 188 GLY H O 1 ATOM 1604 N N . ASP A 1 199 ? 14.207 23.815 12.634 1.00 13.39 ? 189 ASP H N 1 ATOM 1605 C CA . ASP A 1 199 ? 14.632 24.580 13.776 1.00 11.48 ? 189 ASP H CA 1 ATOM 1606 C C . ASP A 1 199 ? 14.725 23.688 14.977 1.00 12.09 ? 189 ASP H C 1 ATOM 1607 O O . ASP A 1 199 ? 14.148 22.579 15.014 1.00 13.24 ? 189 ASP H O 1 ATOM 1608 C CB . ASP A 1 199 ? 13.595 25.659 14.048 1.00 11.14 ? 189 ASP H CB 1 ATOM 1609 C CG . ASP A 1 199 ? 14.037 26.659 15.098 1.00 11.79 ? 189 ASP H CG 1 ATOM 1610 O OD1 . ASP A 1 199 ? 15.227 26.656 15.524 1.00 9.34 ? 189 ASP H OD1 1 ATOM 1611 O OD2 . ASP A 1 199 ? 13.154 27.463 15.491 1.00 10.00 ? 189 ASP H OD2 1 ATOM 1612 N N . ALA A 1 200 ? 15.435 24.171 15.982 1.00 11.39 ? 190 ALA H N 1 ATOM 1613 C CA . ALA A 1 200 ? 15.511 23.397 17.200 1.00 12.12 ? 190 ALA H CA 1 ATOM 1614 C C . ALA A 1 200 ? 14.261 23.894 17.925 1.00 11.69 ? 190 ALA H C 1 ATOM 1615 O O . ALA A 1 200 ? 13.591 24.807 17.456 1.00 9.92 ? 190 ALA H O 1 ATOM 1616 C CB . ALA A 1 200 ? 16.764 23.723 17.974 1.00 10.59 ? 190 ALA H CB 1 ATOM 1617 N N . CYS A 1 201 ? 13.946 23.303 19.062 1.00 12.58 ? 191 CYS H N 1 ATOM 1618 C CA . CYS A 1 201 ? 12.754 23.724 19.769 1.00 14.61 ? 191 CYS H CA 1 ATOM 1619 C C . CYS A 1 201 ? 12.995 23.471 21.252 1.00 16.17 ? 191 CYS H C 1 ATOM 1620 O O . CYS A 1 201 ? 14.115 23.083 21.675 1.00 16.56 ? 191 CYS H O 1 ATOM 1621 C CB . CYS A 1 201 ? 11.555 22.890 19.235 1.00 15.87 ? 191 CYS H CB 1 ATOM 1622 S SG . CYS A 1 201 ? 9.862 23.518 19.530 1.00 17.67 ? 191 CYS H SG 1 ATOM 1623 N N . GLU A 1 202 ? 11.940 23.702 22.026 1.00 16.46 ? 192 GLU H N 1 ATOM 1624 C CA . GLU A 1 202 ? 11.913 23.475 23.466 1.00 16.91 ? 192 GLU H CA 1 ATOM 1625 C C . GLU A 1 202 ? 12.306 22.019 23.661 1.00 16.98 ? 192 GLU H C 1 ATOM 1626 O O . GLU A 1 202 ? 11.835 21.121 22.920 1.00 17.15 ? 192 GLU H O 1 ATOM 1627 C CB . GLU A 1 202 ? 10.477 23.668 23.996 1.00 20.88 ? 192 GLU H CB 1 ATOM 1628 C CG . GLU A 1 202 ? 9.596 24.732 23.221 1.00 25.18 ? 192 GLU H CG 1 ATOM 1629 C CD . GLU A 1 202 ? 9.955 26.042 23.709 1.00 27.52 ? 192 GLU H CD 1 ATOM 1630 O OE1 . GLU A 1 202 ? 10.339 25.974 24.875 1.00 31.01 ? 192 GLU H OE1 1 ATOM 1631 O OE2 . GLU A 1 202 ? 9.895 27.088 23.026 1.00 28.24 ? 192 GLU H OE2 1 ATOM 1632 N N . GLY A 1 203 ? 13.161 21.770 24.648 1.00 14.77 ? 193 GLY H N 1 ATOM 1633 C CA . GLY A 1 203 ? 13.590 20.420 24.867 1.00 13.10 ? 193 GLY H CA 1 ATOM 1634 C C . GLY A 1 203 ? 14.875 20.114 24.106 1.00 13.66 ? 193 GLY H C 1 ATOM 1635 O O . GLY A 1 203 ? 15.505 19.122 24.416 1.00 13.32 ? 193 GLY H O 1 ATOM 1636 N N . ASP A 1 204 ? 15.262 20.924 23.111 1.00 12.51 ? 194 ASP H N 1 ATOM 1637 C CA . ASP A 1 204 ? 16.530 20.657 22.406 1.00 12.35 ? 194 ASP H CA 1 ATOM 1638 C C . ASP A 1 204 ? 17.747 21.366 23.020 1.00 12.53 ? 194 ASP H C 1 ATOM 1639 O O . ASP A 1 204 ? 18.878 21.075 22.672 1.00 12.11 ? 194 ASP H O 1 ATOM 1640 C CB . ASP A 1 204 ? 16.410 21.050 20.932 1.00 11.90 ? 194 ASP H CB 1 ATOM 1641 C CG . ASP A 1 204 ? 15.522 20.092 20.149 1.00 13.48 ? 194 ASP H CG 1 ATOM 1642 O OD1 . ASP A 1 204 ? 15.641 18.836 20.313 1.00 8.90 ? 194 ASP H OD1 1 ATOM 1643 O OD2 . ASP A 1 204 ? 14.698 20.616 19.360 1.00 17.48 ? 194 ASP H OD2 1 ATOM 1644 N N . SER A 1 205 ? 17.512 22.284 23.956 1.00 12.07 ? 195 SER H N 1 ATOM 1645 C CA . SER A 1 205 ? 18.613 23.025 24.598 1.00 14.24 ? 195 SER H CA 1 ATOM 1646 C C . SER A 1 205 ? 19.760 22.070 25.096 1.00 14.25 ? 195 SER H C 1 ATOM 1647 O O . SER A 1 205 ? 19.499 20.970 25.645 1.00 13.03 ? 195 SER H O 1 ATOM 1648 C CB . SER A 1 205 ? 18.090 23.913 25.761 1.00 12.01 ? 195 SER H CB 1 ATOM 1649 O OG . SER A 1 205 ? 17.218 24.960 25.298 1.00 16.90 ? 195 SER H OG 1 ATOM 1650 N N . GLY A 1 206 ? 21.010 22.492 24.861 1.00 12.81 ? 196 GLY H N 1 ATOM 1651 C CA . GLY A 1 206 ? 22.152 21.708 25.287 1.00 11.61 ? 196 GLY H CA 1 ATOM 1652 C C . GLY A 1 206 ? 22.595 20.757 24.169 1.00 13.77 ? 196 GLY H C 1 ATOM 1653 O O . GLY A 1 206 ? 23.694 20.247 24.192 1.00 12.37 ? 196 GLY H O 1 ATOM 1654 N N . GLY A 1 207 ? 21.741 20.497 23.185 1.00 12.92 ? 197 GLY H N 1 ATOM 1655 C CA . GLY A 1 207 ? 22.186 19.665 22.080 1.00 13.04 ? 197 GLY H CA 1 ATOM 1656 C C . GLY A 1 207 ? 23.258 20.399 21.260 1.00 13.20 ? 197 GLY H C 1 ATOM 1657 O O . GLY A 1 207 ? 23.364 21.646 21.261 1.00 12.75 ? 197 GLY H O 1 ATOM 1658 N N . PRO A 1 208 ? 24.048 19.634 20.502 1.00 11.91 ? 198 PRO H N 1 ATOM 1659 C CA . PRO A 1 208 ? 25.089 20.262 19.726 1.00 10.58 ? 198 PRO H CA 1 ATOM 1660 C C . PRO A 1 208 ? 24.730 20.734 18.335 1.00 10.41 ? 198 PRO H C 1 ATOM 1661 O O . PRO A 1 208 ? 23.884 20.166 17.688 1.00 10.49 ? 198 PRO H O 1 ATOM 1662 C CB . PRO A 1 208 ? 26.162 19.191 19.718 1.00 9.65 ? 198 PRO H CB 1 ATOM 1663 C CG . PRO A 1 208 ? 25.326 17.945 19.493 1.00 11.45 ? 198 PRO H CG 1 ATOM 1664 C CD . PRO A 1 208 ? 24.043 18.168 20.293 1.00 12.37 ? 198 PRO H CD 1 ATOM 1665 N N . PHE A 1 209 ? 25.350 21.827 17.916 1.00 10.94 ? 199 PHE H N 1 ATOM 1666 C CA . PHE A 1 209 ? 25.226 22.328 16.533 1.00 11.40 ? 199 PHE H CA 1 ATOM 1667 C C . PHE A 1 209 ? 26.609 21.931 16.011 1.00 10.72 ? 199 PHE H C 1 ATOM 1668 O O . PHE A 1 209 ? 27.606 22.514 16.393 1.00 10.56 ? 199 PHE H O 1 ATOM 1669 C CB . PHE A 1 209 ? 25.002 23.859 16.479 1.00 10.67 ? 199 PHE H CB 1 ATOM 1670 C CG . PHE A 1 209 ? 24.955 24.432 15.044 1.00 15.25 ? 199 PHE H CG 1 ATOM 1671 C CD1 . PHE A 1 209 ? 26.124 24.595 14.291 1.00 14.87 ? 199 PHE H CD1 1 ATOM 1672 C CD2 . PHE A 1 209 ? 23.740 24.827 14.468 1.00 15.55 ? 199 PHE H CD2 1 ATOM 1673 C CE1 . PHE A 1 209 ? 26.073 25.158 12.956 1.00 17.61 ? 199 PHE H CE1 1 ATOM 1674 C CE2 . PHE A 1 209 ? 23.676 25.385 13.146 1.00 16.80 ? 199 PHE H CE2 1 ATOM 1675 C CZ . PHE A 1 209 ? 24.843 25.548 12.395 1.00 15.54 ? 199 PHE H CZ 1 ATOM 1676 N N . VAL A 1 210 ? 26.673 20.863 15.212 1.00 11.76 ? 200 VAL H N 1 ATOM 1677 C CA . VAL A 1 210 ? 27.947 20.371 14.688 1.00 10.58 ? 200 VAL H CA 1 ATOM 1678 C C . VAL A 1 210 ? 28.184 20.601 13.213 1.00 11.61 ? 200 VAL H C 1 ATOM 1679 O O . VAL A 1 210 ? 27.230 20.666 12.436 1.00 11.54 ? 200 VAL H O 1 ATOM 1680 C CB . VAL A 1 210 ? 28.094 18.871 14.941 1.00 11.22 ? 200 VAL H CB 1 ATOM 1681 C CG1 . VAL A 1 210 ? 27.846 18.595 16.437 1.00 8.27 ? 200 VAL H CG1 1 ATOM 1682 C CG2 . VAL A 1 210 ? 27.131 18.055 14.057 1.00 7.98 ? 200 VAL H CG2 1 ATOM 1683 N N . MET A 1 211 ? 29.456 20.715 12.838 1.00 11.98 ? 201 MET H N 1 ATOM 1684 C CA . MET A 1 211 ? 29.855 20.899 11.422 1.00 13.02 ? 201 MET H CA 1 ATOM 1685 C C . MET A 1 211 ? 30.935 19.867 11.124 1.00 13.73 ? 201 MET H C 1 ATOM 1686 O O . MET A 1 211 ? 31.726 19.528 12.016 1.00 13.82 ? 201 MET H O 1 ATOM 1687 C CB . MET A 1 211 ? 30.433 22.324 11.168 1.00 13.08 ? 201 MET H CB 1 ATOM 1688 C CG . MET A 1 211 ? 29.475 23.406 11.702 1.00 13.99 ? 201 MET H CG 1 ATOM 1689 S SD . MET A 1 211 ? 29.825 25.115 11.366 1.00 16.33 ? 201 MET H SD 1 ATOM 1690 C CE . MET A 1 211 ? 29.410 25.261 9.559 1.00 12.84 ? 201 MET H CE 1 ATOM 1691 N N . LYS A 1 212 ? 30.964 19.379 9.880 1.00 13.18 ? 202 LYS H N 1 ATOM 1692 C CA . LYS A 1 212 ? 31.953 18.423 9.459 1.00 14.44 ? 202 LYS H CA 1 ATOM 1693 C C . LYS A 1 212 ? 33.123 19.089 8.706 1.00 15.06 ? 202 LYS H C 1 ATOM 1694 O O . LYS A 1 212 ? 32.961 19.648 7.646 1.00 15.19 ? 202 LYS H O 1 ATOM 1695 C CB . LYS A 1 212 ? 31.326 17.316 8.594 1.00 13.94 ? 202 LYS H CB 1 ATOM 1696 C CG . LYS A 1 212 ? 32.367 16.221 8.311 1.00 14.29 ? 202 LYS H CG 1 ATOM 1697 C CD . LYS A 1 212 ? 31.813 14.980 7.599 1.00 15.93 ? 202 LYS H CD 1 ATOM 1698 C CE . LYS A 1 212 ? 32.972 14.022 7.220 1.00 14.50 ? 202 LYS H CE 1 ATOM 1699 N NZ . LYS A 1 212 ? 32.520 12.690 6.790 1.00 11.39 ? 202 LYS H NZ 1 ATOM 1700 N N . SER A 1 213 ? 34.305 19.032 9.283 1.00 15.79 ? 203 SER H N 1 ATOM 1701 C CA . SER A 1 213 ? 35.455 19.638 8.654 1.00 17.46 ? 203 SER H CA 1 ATOM 1702 C C . SER A 1 213 ? 35.841 19.003 7.349 1.00 18.29 ? 203 SER H C 1 ATOM 1703 O O . SER A 1 213 ? 36.055 17.787 7.274 1.00 18.39 ? 203 SER H O 1 ATOM 1704 C CB . SER A 1 213 ? 36.690 19.557 9.526 1.00 18.11 ? 203 SER H CB 1 ATOM 1705 O OG . SER A 1 213 ? 37.797 19.959 8.753 1.00 15.85 ? 203 SER H OG 1 ATOM 1706 N N . PRO A 1 214 ? 35.942 19.822 6.303 1.00 18.40 ? 204 PRO H N 1 ATOM 1707 C CA . PRO A 1 214 ? 36.328 19.214 5.029 1.00 19.73 ? 204 PRO H CA 1 ATOM 1708 C C . PRO A 1 214 ? 37.854 19.114 4.992 1.00 21.09 ? 204 PRO H C 1 ATOM 1709 O O . PRO A 1 214 ? 38.412 18.653 4.009 1.00 22.44 ? 204 PRO H O 1 ATOM 1710 C CB . PRO A 1 214 ? 35.729 20.167 3.976 1.00 18.30 ? 204 PRO H CB 1 ATOM 1711 C CG . PRO A 1 214 ? 35.703 21.481 4.686 1.00 19.83 ? 204 PRO H CG 1 ATOM 1712 C CD . PRO A 1 214 ? 35.338 21.155 6.124 1.00 16.84 ? 204 PRO H CD 1 ATOM 1713 N N . PHE A 1 215 A 38.526 19.507 6.075 1.00 19.78 ? 204 PHE H N 1 ATOM 1714 C CA . PHE A 1 215 A 39.979 19.414 6.066 1.00 19.32 ? 204 PHE H CA 1 ATOM 1715 C C . PHE A 1 215 A 40.508 18.108 6.682 1.00 20.11 ? 204 PHE H C 1 ATOM 1716 O O . PHE A 1 215 A 41.571 17.662 6.273 1.00 19.91 ? 204 PHE H O 1 ATOM 1717 C CB . PHE A 1 215 A 40.627 20.611 6.790 1.00 18.67 ? 204 PHE H CB 1 ATOM 1718 C CG . PHE A 1 215 A 40.232 21.954 6.221 1.00 19.18 ? 204 PHE H CG 1 ATOM 1719 C CD1 . PHE A 1 215 A 40.737 22.379 4.996 1.00 17.77 ? 204 PHE H CD1 1 ATOM 1720 C CD2 . PHE A 1 215 A 39.239 22.740 6.856 1.00 17.80 ? 204 PHE H CD2 1 ATOM 1721 C CE1 . PHE A 1 215 A 40.248 23.575 4.381 1.00 17.30 ? 204 PHE H CE1 1 ATOM 1722 C CE2 . PHE A 1 215 A 38.746 23.919 6.259 1.00 17.66 ? 204 PHE H CE2 1 ATOM 1723 C CZ . PHE A 1 215 A 39.253 24.338 5.009 1.00 14.94 ? 204 PHE H CZ 1 ATOM 1724 N N . ASN A 1 216 B 39.773 17.490 7.620 1.00 19.41 ? 204 ASN H N 1 ATOM 1725 C CA . ASN A 1 216 B 40.212 16.241 8.303 1.00 18.64 ? 204 ASN H CA 1 ATOM 1726 C C . ASN A 1 216 B 39.027 15.335 8.618 1.00 19.85 ? 204 ASN H C 1 ATOM 1727 O O . ASN A 1 216 B 39.112 14.405 9.423 1.00 20.21 ? 204 ASN H O 1 ATOM 1728 C CB . ASN A 1 216 B 40.917 16.573 9.637 1.00 16.47 ? 204 ASN H CB 1 ATOM 1729 C CG . ASN A 1 216 B 40.016 17.378 10.618 1.00 16.60 ? 204 ASN H CG 1 ATOM 1730 O OD1 . ASN A 1 216 B 38.765 17.368 10.559 1.00 14.25 ? 204 ASN H OD1 1 ATOM 1731 N ND2 . ASN A 1 216 B 40.659 18.069 11.517 1.00 15.72 ? 204 ASN H ND2 1 ATOM 1732 N N . ASN A 1 217 ? 37.936 15.650 7.942 1.00 21.61 ? 205 ASN H N 1 ATOM 1733 C CA . ASN A 1 217 ? 36.621 15.079 8.073 1.00 22.25 ? 205 ASN H CA 1 ATOM 1734 C C . ASN A 1 217 ? 36.138 14.570 9.439 1.00 20.54 ? 205 ASN H C 1 ATOM 1735 O O . ASN A 1 217 ? 35.451 13.563 9.558 1.00 18.75 ? 205 ASN H O 1 ATOM 1736 C CB . ASN A 1 217 ? 36.485 13.840 7.188 1.00 27.84 ? 205 ASN H CB 1 ATOM 1737 C CG . ASN A 1 217 ? 36.923 12.570 7.891 1.00 30.61 ? 205 ASN H CG 1 ATOM 1738 O OD1 . ASN A 1 217 ? 36.256 11.540 7.805 1.00 33.85 ? 205 ASN H OD1 1 ATOM 1739 N ND2 . ASN A 1 217 ? 38.048 12.642 8.591 1.00 34.06 ? 205 ASN H ND2 1 ATOM 1740 N N . ARG A 1 218 ? 36.447 15.373 10.449 1.00 18.59 ? 206 ARG H N 1 ATOM 1741 C CA . ARG A 1 218 ? 36.000 15.153 11.823 1.00 17.57 ? 206 ARG H CA 1 ATOM 1742 C C . ARG A 1 218 ? 34.819 16.103 12.093 1.00 15.96 ? 206 ARG H C 1 ATOM 1743 O O . ARG A 1 218 ? 34.734 17.204 11.528 1.00 13.90 ? 206 ARG H O 1 ATOM 1744 C CB . ARG A 1 218 ? 37.104 15.502 12.825 1.00 17.60 ? 206 ARG H CB 1 ATOM 1745 C CG . ARG A 1 218 ? 38.356 14.666 12.676 1.00 17.35 ? 206 ARG H CG 1 ATOM 1746 C CD . ARG A 1 218 ? 39.443 15.090 13.658 1.00 17.96 ? 206 ARG H CD 1 ATOM 1747 N NE . ARG A 1 218 ? 40.590 14.202 13.495 1.00 17.01 ? 206 ARG H NE 1 ATOM 1748 C CZ . ARG A 1 218 ? 40.920 13.162 14.259 1.00 19.04 ? 206 ARG H CZ 1 ATOM 1749 N NH1 . ARG A 1 218 ? 40.189 12.808 15.335 1.00 16.64 ? 206 ARG H NH1 1 ATOM 1750 N NH2 . ARG A 1 218 ? 42.009 12.456 13.921 1.00 16.08 ? 206 ARG H NH2 1 ATOM 1751 N N . TRP A 1 219 ? 33.899 15.679 12.945 1.00 14.72 ? 207 TRP H N 1 ATOM 1752 C CA . TRP A 1 219 ? 32.806 16.573 13.282 1.00 12.99 ? 207 TRP H CA 1 ATOM 1753 C C . TRP A 1 219 ? 33.217 17.507 14.417 1.00 12.42 ? 207 TRP H C 1 ATOM 1754 O O . TRP A 1 219 ? 33.853 17.075 15.363 1.00 11.53 ? 207 TRP H O 1 ATOM 1755 C CB . TRP A 1 219 ? 31.565 15.778 13.716 1.00 13.08 ? 207 TRP H CB 1 ATOM 1756 C CG . TRP A 1 219 ? 30.988 15.062 12.600 1.00 12.34 ? 207 TRP H CG 1 ATOM 1757 C CD1 . TRP A 1 219 ? 31.372 13.825 12.109 1.00 11.57 ? 207 TRP H CD1 1 ATOM 1758 C CD2 . TRP A 1 219 ? 29.932 15.518 11.766 1.00 10.11 ? 207 TRP H CD2 1 ATOM 1759 N NE1 . TRP A 1 219 ? 30.606 13.499 11.038 1.00 8.86 ? 207 TRP H NE1 1 ATOM 1760 C CE2 . TRP A 1 219 ? 29.711 14.507 10.792 1.00 8.99 ? 207 TRP H CE2 1 ATOM 1761 C CE3 . TRP A 1 219 ? 29.151 16.685 11.732 1.00 9.17 ? 207 TRP H CE3 1 ATOM 1762 C CZ2 . TRP A 1 219 ? 28.730 14.626 9.792 1.00 8.24 ? 207 TRP H CZ2 1 ATOM 1763 C CZ3 . TRP A 1 219 ? 28.186 16.811 10.724 1.00 8.20 ? 207 TRP H CZ3 1 ATOM 1764 C CH2 . TRP A 1 219 ? 27.989 15.778 9.766 1.00 8.27 ? 207 TRP H CH2 1 ATOM 1765 N N . TYR A 1 220 ? 32.822 18.776 14.342 1.00 12.22 ? 208 TYR H N 1 ATOM 1766 C CA . TYR A 1 220 ? 33.168 19.734 15.388 1.00 13.39 ? 208 TYR H CA 1 ATOM 1767 C C . TYR A 1 220 ? 31.904 20.400 15.998 1.00 13.75 ? 208 TYR H C 1 ATOM 1768 O O . TYR A 1 220 ? 30.971 20.754 15.282 1.00 14.01 ? 208 TYR H O 1 ATOM 1769 C CB . TYR A 1 220 ? 34.097 20.852 14.805 1.00 13.15 ? 208 TYR H CB 1 ATOM 1770 C CG . TYR A 1 220 ? 35.557 20.450 14.566 1.00 12.71 ? 208 TYR H CG 1 ATOM 1771 C CD1 . TYR A 1 220 ? 35.952 19.774 13.410 1.00 12.45 ? 208 TYR H CD1 1 ATOM 1772 C CD2 . TYR A 1 220 ? 36.543 20.763 15.518 1.00 12.52 ? 208 TYR H CD2 1 ATOM 1773 C CE1 . TYR A 1 220 ? 37.298 19.420 13.195 1.00 12.57 ? 208 TYR H CE1 1 ATOM 1774 C CE2 . TYR A 1 220 ? 37.854 20.421 15.336 1.00 12.74 ? 208 TYR H CE2 1 ATOM 1775 C CZ . TYR A 1 220 ? 38.246 19.746 14.168 1.00 14.60 ? 208 TYR H CZ 1 ATOM 1776 O OH . TYR A 1 220 ? 39.602 19.477 14.000 1.00 14.32 ? 208 TYR H OH 1 ATOM 1777 N N . GLN A 1 221 ? 31.875 20.590 17.308 1.00 13.26 ? 209 GLN H N 1 ATOM 1778 C CA . GLN A 1 221 ? 30.713 21.263 17.865 1.00 14.60 ? 209 GLN H CA 1 ATOM 1779 C C . GLN A 1 221 ? 30.976 22.814 17.905 1.00 12.26 ? 209 GLN H C 1 ATOM 1780 O O . GLN A 1 221 ? 31.812 23.303 18.641 1.00 13.96 ? 209 GLN H O 1 ATOM 1781 C CB . GLN A 1 221 ? 30.381 20.702 19.267 1.00 14.01 ? 209 GLN H CB 1 ATOM 1782 C CG . GLN A 1 221 ? 29.143 21.333 19.845 1.00 13.06 ? 209 GLN H CG 1 ATOM 1783 C CD . GLN A 1 221 ? 28.786 20.813 21.242 1.00 15.26 ? 209 GLN H CD 1 ATOM 1784 O OE1 . GLN A 1 221 ? 29.430 19.908 21.783 1.00 11.35 ? 209 GLN H OE1 1 ATOM 1785 N NE2 . GLN A 1 221 ? 27.754 21.411 21.836 1.00 12.58 ? 209 GLN H NE2 1 ATOM 1786 N N . MET A 1 222 ? 30.251 23.555 17.097 1.00 12.60 ? 210 MET H N 1 ATOM 1787 C CA . MET A 1 222 ? 30.390 24.996 17.022 1.00 12.43 ? 210 MET H CA 1 ATOM 1788 C C . MET A 1 222 ? 29.401 25.682 17.931 1.00 11.15 ? 210 MET H C 1 ATOM 1789 O O . MET A 1 222 ? 29.692 26.768 18.423 1.00 10.76 ? 210 MET H O 1 ATOM 1790 C CB . MET A 1 222 ? 30.161 25.470 15.581 1.00 13.87 ? 210 MET H CB 1 ATOM 1791 C CG . MET A 1 222 ? 30.901 24.553 14.577 1.00 17.15 ? 210 MET H CG 1 ATOM 1792 S SD . MET A 1 222 ? 32.709 24.686 14.831 1.00 21.02 ? 210 MET H SD 1 ATOM 1793 C CE . MET A 1 222 ? 33.127 23.585 13.782 1.00 24.08 ? 210 MET H CE 1 ATOM 1794 N N . GLY A 1 223 ? 28.234 25.077 18.125 1.00 9.10 ? 211 GLY H N 1 ATOM 1795 C CA . GLY A 1 223 ? 27.234 25.711 18.960 1.00 8.37 ? 211 GLY H CA 1 ATOM 1796 C C . GLY A 1 223 ? 26.458 24.779 19.877 1.00 9.16 ? 211 GLY H C 1 ATOM 1797 O O . GLY A 1 223 ? 26.555 23.555 19.717 1.00 6.80 ? 211 GLY H O 1 ATOM 1798 N N . ILE A 1 224 ? 25.761 25.361 20.878 1.00 8.69 ? 212 ILE H N 1 ATOM 1799 C CA . ILE A 1 224 ? 24.912 24.623 21.803 1.00 9.84 ? 212 ILE H CA 1 ATOM 1800 C C . ILE A 1 224 ? 23.486 25.201 21.615 1.00 10.62 ? 212 ILE H C 1 ATOM 1801 O O . ILE A 1 224 ? 23.303 26.458 21.616 1.00 10.26 ? 212 ILE H O 1 ATOM 1802 C CB . ILE A 1 224 ? 25.320 24.826 23.308 1.00 10.76 ? 212 ILE H CB 1 ATOM 1803 C CG1 . ILE A 1 224 ? 26.782 24.441 23.497 1.00 10.87 ? 212 ILE H CG1 1 ATOM 1804 C CG2 . ILE A 1 224 ? 24.417 23.940 24.270 1.00 5.23 ? 212 ILE H CG2 1 ATOM 1805 C CD1 . ILE A 1 224 ? 27.341 24.844 24.819 1.00 9.89 ? 212 ILE H CD1 1 ATOM 1806 N N . VAL A 1 225 ? 22.483 24.325 21.445 1.00 10.75 ? 213 VAL H N 1 ATOM 1807 C CA . VAL A 1 225 ? 21.124 24.848 21.307 1.00 10.13 ? 213 VAL H CA 1 ATOM 1808 C C . VAL A 1 225 ? 20.865 25.715 22.586 1.00 11.93 ? 213 VAL H C 1 ATOM 1809 O O . VAL A 1 225 ? 20.933 25.190 23.742 1.00 10.11 ? 213 VAL H O 1 ATOM 1810 C CB . VAL A 1 225 ? 20.033 23.744 21.195 1.00 10.23 ? 213 VAL H CB 1 ATOM 1811 C CG1 . VAL A 1 225 ? 18.669 24.398 21.160 1.00 8.02 ? 213 VAL H CG1 1 ATOM 1812 C CG2 . VAL A 1 225 ? 20.176 22.972 19.913 1.00 10.83 ? 213 VAL H CG2 1 ATOM 1813 N N . SER A 1 226 ? 20.535 27.005 22.371 1.00 9.38 ? 214 SER H N 1 ATOM 1814 C CA . SER A 1 226 ? 20.339 27.897 23.476 1.00 10.52 ? 214 SER H CA 1 ATOM 1815 C C . SER A 1 226 ? 18.939 28.449 23.685 1.00 11.91 ? 214 SER H C 1 ATOM 1816 O O . SER A 1 226 ? 18.357 28.205 24.743 1.00 11.90 ? 214 SER H O 1 ATOM 1817 C CB . SER A 1 226 ? 21.345 29.054 23.409 1.00 8.63 ? 214 SER H CB 1 ATOM 1818 O OG . SER A 1 226 ? 21.177 29.928 24.503 1.00 11.06 ? 214 SER H OG 1 ATOM 1819 N N . TRP A 1 227 ? 18.442 29.241 22.718 1.00 12.51 ? 215 TRP H N 1 ATOM 1820 C CA . TRP A 1 227 ? 17.113 29.821 22.793 1.00 11.90 ? 215 TRP H CA 1 ATOM 1821 C C . TRP A 1 227 ? 16.540 30.145 21.391 1.00 12.25 ? 215 TRP H C 1 ATOM 1822 O O . TRP A 1 227 ? 17.192 29.938 20.366 1.00 11.65 ? 215 TRP H O 1 ATOM 1823 C CB . TRP A 1 227 ? 17.154 31.086 23.661 1.00 9.99 ? 215 TRP H CB 1 ATOM 1824 C CG . TRP A 1 227 ? 18.038 32.194 23.125 1.00 8.76 ? 215 TRP H CG 1 ATOM 1825 C CD1 . TRP A 1 227 ? 19.404 32.323 23.272 1.00 11.84 ? 215 TRP H CD1 1 ATOM 1826 C CD2 . TRP A 1 227 ? 17.614 33.353 22.398 1.00 10.66 ? 215 TRP H CD2 1 ATOM 1827 N NE1 . TRP A 1 227 ? 19.854 33.506 22.686 1.00 9.87 ? 215 TRP H NE1 1 ATOM 1828 C CE2 . TRP A 1 227 ? 18.778 34.150 22.136 1.00 10.12 ? 215 TRP H CE2 1 ATOM 1829 C CE3 . TRP A 1 227 ? 16.359 33.817 21.945 1.00 10.61 ? 215 TRP H CE3 1 ATOM 1830 C CZ2 . TRP A 1 227 ? 18.713 35.378 21.435 1.00 9.62 ? 215 TRP H CZ2 1 ATOM 1831 C CZ3 . TRP A 1 227 ? 16.304 35.067 21.241 1.00 9.27 ? 215 TRP H CZ3 1 ATOM 1832 C CH2 . TRP A 1 227 ? 17.466 35.809 21.004 1.00 7.38 ? 215 TRP H CH2 1 ATOM 1833 N N . GLY A 1 228 ? 15.306 30.645 21.379 1.00 12.58 ? 216 GLY H N 1 ATOM 1834 C CA . GLY A 1 228 ? 14.622 31.056 20.167 1.00 13.39 ? 216 GLY H CA 1 ATOM 1835 C C . GLY A 1 228 ? 13.287 31.695 20.550 1.00 13.91 ? 216 GLY H C 1 ATOM 1836 O O . GLY A 1 228 ? 13.009 31.892 21.715 1.00 15.27 ? 216 GLY H O 1 ATOM 1837 N N . GLU A 1 229 ? 12.453 32.013 19.577 1.00 15.05 ? 217 GLU H N 1 ATOM 1838 C CA . GLU A 1 229 ? 11.147 32.643 19.827 1.00 15.24 ? 217 GLU H CA 1 ATOM 1839 C C . GLU A 1 229 ? 10.190 31.872 18.956 1.00 14.62 ? 217 GLU H C 1 ATOM 1840 O O . GLU A 1 229 ? 10.119 32.083 17.725 1.00 13.50 ? 217 GLU H O 1 ATOM 1841 C CB . GLU A 1 229 ? 11.226 34.111 19.443 1.00 16.55 ? 217 GLU H CB 1 ATOM 1842 C CG . GLU A 1 229 ? 12.118 34.891 20.417 1.00 16.32 ? 217 GLU H CG 1 ATOM 1843 C CD . GLU A 1 229 ? 12.291 36.349 19.978 1.00 18.71 ? 217 GLU H CD 1 ATOM 1844 O OE1 . GLU A 1 229 ? 13.191 36.628 19.137 1.00 15.66 ? 217 GLU H OE1 1 ATOM 1845 O OE2 . GLU A 1 229 ? 11.494 37.189 20.461 1.00 18.50 ? 217 GLU H OE2 1 ATOM 1846 N N . GLY A 1 230 ? 9.433 31.003 19.603 1.00 13.90 ? 219 GLY H N 1 ATOM 1847 C CA . GLY A 1 230 ? 8.590 30.067 18.843 1.00 14.88 ? 219 GLY H CA 1 ATOM 1848 C C . GLY A 1 230 ? 9.548 28.974 18.312 1.00 14.15 ? 219 GLY H C 1 ATOM 1849 O O . GLY A 1 230 ? 10.690 28.872 18.763 1.00 13.10 ? 219 GLY H O 1 ATOM 1850 N N . CYS A 1 231 ? 9.087 28.164 17.380 1.00 14.58 ? 220 CYS H N 1 ATOM 1851 C CA . CYS A 1 231 ? 9.897 27.138 16.754 1.00 16.21 ? 220 CYS H CA 1 ATOM 1852 C C . CYS A 1 231 ? 9.540 27.207 15.258 1.00 16.13 ? 220 CYS H C 1 ATOM 1853 O O . CYS A 1 231 ? 8.376 27.198 14.925 1.00 14.65 ? 220 CYS H O 1 ATOM 1854 C CB . CYS A 1 231 ? 9.549 25.727 17.334 1.00 17.99 ? 220 CYS H CB 1 ATOM 1855 S SG . CYS A 1 231 ? 9.956 25.549 19.119 1.00 20.92 ? 220 CYS H SG 1 ATOM 1856 N N . ASP A 1 232 A 10.543 27.300 14.371 1.00 16.62 ? 221 ASP H N 1 ATOM 1857 C CA . ASP A 1 232 A 10.344 27.335 12.931 1.00 15.31 ? 221 ASP H CA 1 ATOM 1858 C C . ASP A 1 232 A 9.402 28.425 12.368 1.00 16.27 ? 221 ASP H C 1 ATOM 1859 O O . ASP A 1 232 A 8.733 28.227 11.356 1.00 15.71 ? 221 ASP H O 1 ATOM 1860 C CB . ASP A 1 232 A 9.903 25.953 12.438 1.00 16.73 ? 221 ASP H CB 1 ATOM 1861 C CG . ASP A 1 232 A 10.192 25.733 10.933 1.00 18.76 ? 221 ASP H CG 1 ATOM 1862 O OD1 . ASP A 1 232 A 11.307 26.052 10.452 1.00 18.52 ? 221 ASP H OD1 1 ATOM 1863 O OD2 . ASP A 1 232 A 9.309 25.243 10.217 1.00 18.77 ? 221 ASP H OD2 1 ATOM 1864 N N . ARG A 1 233 ? 9.388 29.597 12.998 1.00 15.73 ? 221 ARG H N 1 ATOM 1865 C CA . ARG A 1 233 ? 8.612 30.719 12.509 1.00 15.85 ? 221 ARG H CA 1 ATOM 1866 C C . ARG A 1 233 ? 9.383 31.528 11.423 1.00 17.92 ? 221 ARG H C 1 ATOM 1867 O O . ARG A 1 233 ? 10.601 31.720 11.513 1.00 15.32 ? 221 ARG H O 1 ATOM 1868 C CB . ARG A 1 233 ? 8.211 31.598 13.688 1.00 18.41 ? 221 ARG H CB 1 ATOM 1869 C CG . ARG A 1 233 ? 7.051 30.880 14.393 1.00 20.60 ? 221 ARG H CG 1 ATOM 1870 C CD . ARG A 1 233 ? 6.762 31.208 15.815 1.00 22.28 ? 221 ARG H CD 1 ATOM 1871 N NE . ARG A 1 233 ? 5.756 32.220 15.903 1.00 23.73 ? 221 ARG H NE 1 ATOM 1872 C CZ . ARG A 1 233 ? 4.612 32.132 16.578 1.00 23.33 ? 221 ARG H CZ 1 ATOM 1873 N NH1 . ARG A 1 233 ? 4.259 31.064 17.264 1.00 21.03 ? 221 ARG H NH1 1 ATOM 1874 N NH2 . ARG A 1 233 ? 3.820 33.178 16.569 1.00 23.41 ? 221 ARG H NH2 1 ATOM 1875 N N . ASP A 1 234 ? 8.683 31.986 10.383 1.00 18.01 ? 222 ASP H N 1 ATOM 1876 C CA . ASP A 1 234 ? 9.382 32.749 9.347 1.00 19.34 ? 222 ASP H CA 1 ATOM 1877 C C . ASP A 1 234 ? 9.921 34.034 9.909 1.00 17.30 ? 222 ASP H C 1 ATOM 1878 O O . ASP A 1 234 ? 9.238 34.706 10.676 1.00 16.44 ? 222 ASP H O 1 ATOM 1879 C CB . ASP A 1 234 ? 8.463 33.120 8.171 1.00 20.78 ? 222 ASP H CB 1 ATOM 1880 C CG . ASP A 1 234 ? 7.804 31.914 7.526 1.00 20.99 ? 222 ASP H CG 1 ATOM 1881 O OD1 . ASP A 1 234 ? 8.415 30.833 7.392 1.00 20.12 ? 222 ASP H OD1 1 ATOM 1882 O OD2 . ASP A 1 234 ? 6.654 32.069 7.105 1.00 22.91 ? 222 ASP H OD2 1 ATOM 1883 N N . GLY A 1 235 ? 11.128 34.397 9.509 1.00 16.82 ? 223 GLY H N 1 ATOM 1884 C CA . GLY A 1 235 ? 11.666 35.654 9.989 1.00 15.00 ? 223 GLY H CA 1 ATOM 1885 C C . GLY A 1 235 ? 12.345 35.477 11.321 1.00 15.38 ? 223 GLY H C 1 ATOM 1886 O O . GLY A 1 235 ? 12.974 36.416 11.788 1.00 16.28 ? 223 GLY H O 1 ATOM 1887 N N . LYS A 1 236 ? 12.209 34.296 11.943 1.00 15.55 ? 224 LYS H N 1 ATOM 1888 C CA . LYS A 1 236 ? 12.878 33.995 13.214 1.00 15.79 ? 224 LYS H CA 1 ATOM 1889 C C . LYS A 1 236 ? 13.991 32.974 12.961 1.00 14.75 ? 224 LYS H C 1 ATOM 1890 O O . LYS A 1 236 ? 13.942 32.205 12.011 1.00 15.80 ? 224 LYS H O 1 ATOM 1891 C CB . LYS A 1 236 ? 11.876 33.436 14.212 1.00 16.71 ? 224 LYS H CB 1 ATOM 1892 C CG . LYS A 1 236 ? 11.654 34.263 15.453 1.00 20.89 ? 224 LYS H CG 1 ATOM 1893 C CD . LYS A 1 236 ? 11.572 35.798 15.243 1.00 19.95 ? 224 LYS H CD 1 ATOM 1894 C CE . LYS A 1 236 ? 10.949 36.469 16.488 1.00 19.75 ? 224 LYS H CE 1 ATOM 1895 N NZ . LYS A 1 236 ? 11.700 37.585 17.147 1.00 17.21 ? 224 LYS H NZ 1 ATOM 1896 N N . TYR A 1 237 ? 14.959 32.947 13.853 1.00 14.30 ? 225 TYR H N 1 ATOM 1897 C CA . TYR A 1 237 ? 16.107 32.069 13.749 1.00 13.67 ? 225 TYR H CA 1 ATOM 1898 C C . TYR A 1 237 ? 16.483 31.453 15.113 1.00 13.44 ? 225 TYR H C 1 ATOM 1899 O O . TYR A 1 237 ? 16.416 32.130 16.132 1.00 12.87 ? 225 TYR H O 1 ATOM 1900 C CB . TYR A 1 237 ? 17.354 32.855 13.189 1.00 13.80 ? 225 TYR H CB 1 ATOM 1901 C CG . TYR A 1 237 ? 17.013 33.460 11.846 1.00 14.40 ? 225 TYR H CG 1 ATOM 1902 C CD1 . TYR A 1 237 ? 17.162 32.725 10.672 1.00 12.62 ? 225 TYR H CD1 1 ATOM 1903 C CD2 . TYR A 1 237 ? 16.540 34.746 11.752 1.00 15.42 ? 225 TYR H CD2 1 ATOM 1904 C CE1 . TYR A 1 237 ? 16.754 33.254 9.459 1.00 14.62 ? 225 TYR H CE1 1 ATOM 1905 C CE2 . TYR A 1 237 ? 16.102 35.249 10.564 1.00 15.75 ? 225 TYR H CE2 1 ATOM 1906 C CZ . TYR A 1 237 ? 16.194 34.507 9.422 1.00 15.17 ? 225 TYR H CZ 1 ATOM 1907 O OH . TYR A 1 237 ? 15.733 35.023 8.243 1.00 17.14 ? 225 TYR H OH 1 ATOM 1908 N N . GLY A 1 238 ? 16.875 30.178 15.127 1.00 12.28 ? 226 GLY H N 1 ATOM 1909 C CA . GLY A 1 238 ? 17.282 29.587 16.391 1.00 13.59 ? 226 GLY H CA 1 ATOM 1910 C C . GLY A 1 238 ? 18.660 30.144 16.798 1.00 13.43 ? 226 GLY H C 1 ATOM 1911 O O . GLY A 1 238 ? 19.511 30.400 15.945 1.00 12.05 ? 226 GLY H O 1 ATOM 1912 N N . PHE A 1 239 ? 18.869 30.347 18.091 1.00 12.28 ? 227 PHE H N 1 ATOM 1913 C CA . PHE A 1 239 ? 20.138 30.860 18.577 1.00 11.84 ? 227 PHE H CA 1 ATOM 1914 C C . PHE A 1 239 ? 20.957 29.775 19.302 1.00 11.84 ? 227 PHE H C 1 ATOM 1915 O O . PHE A 1 239 ? 20.414 28.929 20.032 1.00 11.69 ? 227 PHE H O 1 ATOM 1916 C CB . PHE A 1 239 ? 19.897 32.066 19.487 1.00 13.43 ? 227 PHE H CB 1 ATOM 1917 C CG . PHE A 1 239 ? 19.654 33.344 18.729 1.00 14.98 ? 227 PHE H CG 1 ATOM 1918 C CD1 . PHE A 1 239 ? 18.429 33.544 18.046 1.00 13.04 ? 227 PHE H CD1 1 ATOM 1919 C CD2 . PHE A 1 239 ? 20.660 34.342 18.668 1.00 13.12 ? 227 PHE H CD2 1 ATOM 1920 C CE1 . PHE A 1 239 ? 18.199 34.713 17.316 1.00 14.32 ? 227 PHE H CE1 1 ATOM 1921 C CE2 . PHE A 1 239 ? 20.448 35.530 17.931 1.00 13.83 ? 227 PHE H CE2 1 ATOM 1922 C CZ . PHE A 1 239 ? 19.212 35.730 17.249 1.00 12.68 ? 227 PHE H CZ 1 ATOM 1923 N N . TYR A 1 240 ? 22.272 29.857 19.140 1.00 10.57 ? 228 TYR H N 1 ATOM 1924 C CA . TYR A 1 240 ? 23.209 28.876 19.671 1.00 11.83 ? 228 TYR H CA 1 ATOM 1925 C C . TYR A 1 240 ? 24.383 29.528 20.394 1.00 13.84 ? 228 TYR H C 1 ATOM 1926 O O . TYR A 1 240 ? 24.890 30.607 19.974 1.00 15.32 ? 228 TYR H O 1 ATOM 1927 C CB . TYR A 1 240 ? 23.767 28.040 18.507 1.00 11.30 ? 228 TYR H CB 1 ATOM 1928 C CG . TYR A 1 240 ? 22.650 27.365 17.700 1.00 10.13 ? 228 TYR H CG 1 ATOM 1929 C CD1 . TYR A 1 240 ? 21.915 28.078 16.747 1.00 10.71 ? 228 TYR H CD1 1 ATOM 1930 C CD2 . TYR A 1 240 ? 22.270 26.052 17.968 1.00 8.07 ? 228 TYR H CD2 1 ATOM 1931 C CE1 . TYR A 1 240 ? 20.806 27.487 16.075 1.00 11.36 ? 228 TYR H CE1 1 ATOM 1932 C CE2 . TYR A 1 240 ? 21.179 25.459 17.324 1.00 10.26 ? 228 TYR H CE2 1 ATOM 1933 C CZ . TYR A 1 240 ? 20.453 26.168 16.386 1.00 11.32 ? 228 TYR H CZ 1 ATOM 1934 O OH . TYR A 1 240 ? 19.389 25.565 15.795 1.00 10.32 ? 228 TYR H OH 1 ATOM 1935 N N . THR A 1 241 ? 24.824 28.895 21.479 1.00 13.87 ? 229 THR H N 1 ATOM 1936 C CA . THR A 1 241 ? 25.970 29.413 22.229 1.00 12.14 ? 229 THR H CA 1 ATOM 1937 C C . THR A 1 241 ? 27.201 29.189 21.333 1.00 12.61 ? 229 THR H C 1 ATOM 1938 O O . THR A 1 241 ? 27.357 28.089 20.752 1.00 12.48 ? 229 THR H O 1 ATOM 1939 C CB . THR A 1 241 ? 26.155 28.627 23.490 1.00 12.93 ? 229 THR H CB 1 ATOM 1940 O OG1 . THR A 1 241 ? 24.929 28.604 24.215 1.00 11.27 ? 229 THR H OG1 1 ATOM 1941 C CG2 . THR A 1 241 ? 27.328 29.171 24.287 1.00 10.15 ? 229 THR H CG2 1 ATOM 1942 N N . HIS A 1 242 ? 28.062 30.209 21.235 1.00 12.12 ? 230 HIS H N 1 ATOM 1943 C CA . HIS A 1 242 ? 29.237 30.178 20.366 1.00 13.18 ? 230 HIS H CA 1 ATOM 1944 C C . HIS A 1 242 ? 30.318 29.453 21.132 1.00 12.88 ? 230 HIS H C 1 ATOM 1945 O O . HIS A 1 242 ? 30.999 30.052 21.947 1.00 12.65 ? 230 HIS H O 1 ATOM 1946 C CB . HIS A 1 242 ? 29.635 31.641 20.000 1.00 12.02 ? 230 HIS H CB 1 ATOM 1947 C CG . HIS A 1 242 ? 30.564 31.777 18.816 1.00 14.65 ? 230 HIS H CG 1 ATOM 1948 N ND1 . HIS A 1 242 ? 31.759 31.080 18.701 1.00 14.30 ? 230 HIS H ND1 1 ATOM 1949 C CD2 . HIS A 1 242 ? 30.546 32.651 17.769 1.00 13.23 ? 230 HIS H CD2 1 ATOM 1950 C CE1 . HIS A 1 242 ? 32.430 31.532 17.657 1.00 10.57 ? 230 HIS H CE1 1 ATOM 1951 N NE2 . HIS A 1 242 ? 31.719 32.484 17.077 1.00 9.94 ? 230 HIS H NE2 1 ATOM 1952 N N . VAL A 1 243 ? 30.450 28.146 20.888 1.00 12.63 ? 231 VAL H N 1 ATOM 1953 C CA . VAL A 1 243 ? 31.420 27.338 21.628 1.00 10.59 ? 231 VAL H CA 1 ATOM 1954 C C . VAL A 1 243 ? 32.902 27.826 21.594 1.00 10.64 ? 231 VAL H C 1 ATOM 1955 O O . VAL A 1 243 ? 33.563 27.907 22.633 1.00 9.57 ? 231 VAL H O 1 ATOM 1956 C CB . VAL A 1 243 ? 31.378 25.831 21.171 1.00 10.00 ? 231 VAL H CB 1 ATOM 1957 C CG1 . VAL A 1 243 ? 32.499 25.030 21.907 1.00 7.01 ? 231 VAL H CG1 1 ATOM 1958 C CG2 . VAL A 1 243 ? 29.920 25.208 21.449 1.00 6.40 ? 231 VAL H CG2 1 ATOM 1959 N N . PHE A 1 244 ? 33.370 28.213 20.420 1.00 10.19 ? 232 PHE H N 1 ATOM 1960 C CA . PHE A 1 244 ? 34.729 28.650 20.277 1.00 11.39 ? 232 PHE H CA 1 ATOM 1961 C C . PHE A 1 244 ? 34.984 29.906 21.041 1.00 12.50 ? 232 PHE H C 1 ATOM 1962 O O . PHE A 1 244 ? 36.008 30.015 21.669 1.00 11.13 ? 232 PHE H O 1 ATOM 1963 C CB . PHE A 1 244 ? 35.136 28.874 18.812 1.00 12.95 ? 232 PHE H CB 1 ATOM 1964 C CG . PHE A 1 244 ? 36.537 29.349 18.671 1.00 14.85 ? 232 PHE H CG 1 ATOM 1965 C CD1 . PHE A 1 244 ? 37.597 28.518 19.016 1.00 17.05 ? 232 PHE H CD1 1 ATOM 1966 C CD2 . PHE A 1 244 ? 36.790 30.650 18.334 1.00 16.03 ? 232 PHE H CD2 1 ATOM 1967 C CE1 . PHE A 1 244 ? 38.928 29.009 19.043 1.00 20.44 ? 232 PHE H CE1 1 ATOM 1968 C CE2 . PHE A 1 244 ? 38.094 31.158 18.355 1.00 19.02 ? 232 PHE H CE2 1 ATOM 1969 C CZ . PHE A 1 244 ? 39.174 30.339 18.715 1.00 19.38 ? 232 PHE H CZ 1 ATOM 1970 N N . ARG A 1 245 ? 34.055 30.850 20.993 1.00 13.99 ? 233 ARG H N 1 ATOM 1971 C CA . ARG A 1 245 ? 34.243 32.104 21.745 1.00 17.03 ? 233 ARG H CA 1 ATOM 1972 C C . ARG A 1 245 ? 34.341 31.880 23.284 1.00 16.60 ? 233 ARG H C 1 ATOM 1973 O O . ARG A 1 245 ? 34.940 32.702 23.967 1.00 16.40 ? 233 ARG H O 1 ATOM 1974 C CB . ARG A 1 245 ? 33.117 33.099 21.392 1.00 21.06 ? 233 ARG H CB 1 ATOM 1975 C CG . ARG A 1 245 ? 33.613 34.413 20.742 1.00 24.51 ? 233 ARG H CG 1 ATOM 1976 C CD . ARG A 1 245 ? 32.613 35.017 19.842 1.00 27.82 ? 233 ARG H CD 1 ATOM 1977 N NE . ARG A 1 245 ? 33.277 35.469 18.618 1.00 31.82 ? 233 ARG H NE 1 ATOM 1978 C CZ . ARG A 1 245 ? 32.660 35.959 17.537 1.00 32.75 ? 233 ARG H CZ 1 ATOM 1979 N NH1 . ARG A 1 245 ? 31.328 36.078 17.489 1.00 30.11 ? 233 ARG H NH1 1 ATOM 1980 N NH2 . ARG A 1 245 ? 33.402 36.354 16.492 1.00 34.19 ? 233 ARG H NH2 1 ATOM 1981 N N . LEU A 1 246 ? 33.768 30.785 23.812 1.00 14.18 ? 234 LEU H N 1 ATOM 1982 C CA . LEU A 1 246 ? 33.900 30.449 25.227 1.00 14.55 ? 234 LEU H CA 1 ATOM 1983 C C . LEU A 1 246 ? 34.920 29.324 25.472 1.00 16.58 ? 234 LEU H C 1 ATOM 1984 O O . LEU A 1 246 ? 34.982 28.742 26.580 1.00 16.10 ? 234 LEU H O 1 ATOM 1985 C CB . LEU A 1 246 ? 32.527 30.037 25.802 1.00 17.14 ? 234 LEU H CB 1 ATOM 1986 C CG . LEU A 1 246 ? 31.446 31.110 25.515 1.00 18.36 ? 234 LEU H CG 1 ATOM 1987 C CD1 . LEU A 1 246 ? 30.090 30.685 25.954 1.00 18.61 ? 234 LEU H CD1 1 ATOM 1988 C CD2 . LEU A 1 246 ? 31.883 32.432 26.221 1.00 17.40 ? 234 LEU H CD2 1 ATOM 1989 N N . LYS A 1 247 ? 35.737 29.030 24.460 1.00 16.66 ? 235 LYS H N 1 ATOM 1990 C CA . LYS A 1 247 ? 36.733 27.940 24.501 1.00 19.23 ? 235 LYS H CA 1 ATOM 1991 C C . LYS A 1 247 ? 37.741 28.062 25.657 1.00 20.93 ? 235 LYS H C 1 ATOM 1992 O O . LYS A 1 247 ? 38.146 27.059 26.311 1.00 19.89 ? 235 LYS H O 1 ATOM 1993 C CB . LYS A 1 247 ? 37.487 27.920 23.150 1.00 20.85 ? 235 LYS H CB 1 ATOM 1994 C CG . LYS A 1 247 ? 38.646 26.952 23.028 1.00 21.99 ? 235 LYS H CG 1 ATOM 1995 C CD . LYS A 1 247 ? 38.151 25.535 22.978 1.00 22.72 ? 235 LYS H CD 1 ATOM 1996 C CE . LYS A 1 247 ? 39.293 24.545 22.888 1.00 21.30 ? 235 LYS H CE 1 ATOM 1997 N NZ . LYS A 1 247 ? 39.769 24.397 21.494 1.00 21.34 ? 235 LYS H NZ 1 ATOM 1998 N N . LYS A 1 248 ? 38.169 29.306 25.892 1.00 20.19 ? 236 LYS H N 1 ATOM 1999 C CA . LYS A 1 248 ? 39.106 29.567 26.969 1.00 19.10 ? 236 LYS H CA 1 ATOM 2000 C C . LYS A 1 248 ? 38.562 29.133 28.335 1.00 17.16 ? 236 LYS H C 1 ATOM 2001 O O . LYS A 1 248 ? 39.305 28.583 29.141 1.00 15.15 ? 236 LYS H O 1 ATOM 2002 C CB . LYS A 1 248 ? 39.512 31.054 26.979 1.00 20.51 ? 236 LYS H CB 1 ATOM 2003 C CG . LYS A 1 248 ? 40.466 31.346 25.842 1.00 24.09 ? 236 LYS H CG 1 ATOM 2004 C CD . LYS A 1 248 ? 41.055 32.779 25.746 1.00 26.68 ? 236 LYS H CD 1 ATOM 2005 C CE . LYS A 1 248 ? 42.464 32.641 25.041 1.00 30.48 ? 236 LYS H CE 1 ATOM 2006 N NZ . LYS A 1 248 ? 43.218 33.900 24.686 1.00 34.94 ? 236 LYS H NZ 1 ATOM 2007 N N . TRP A 1 249 ? 37.276 29.372 28.596 1.00 15.08 ? 237 TRP H N 1 ATOM 2008 C CA . TRP A 1 249 ? 36.736 28.982 29.885 1.00 13.11 ? 237 TRP H CA 1 ATOM 2009 C C . TRP A 1 249 ? 36.673 27.447 29.894 1.00 14.81 ? 237 TRP H C 1 ATOM 2010 O O . TRP A 1 249 ? 37.015 26.809 30.914 1.00 14.38 ? 237 TRP H O 1 ATOM 2011 C CB . TRP A 1 249 ? 35.342 29.592 30.096 1.00 10.99 ? 237 TRP H CB 1 ATOM 2012 C CG . TRP A 1 249 ? 34.650 29.038 31.272 1.00 12.38 ? 237 TRP H CG 1 ATOM 2013 C CD1 . TRP A 1 249 ? 34.938 29.302 32.584 1.00 12.21 ? 237 TRP H CD1 1 ATOM 2014 C CD2 . TRP A 1 249 ? 33.634 28.004 31.291 1.00 10.32 ? 237 TRP H CD2 1 ATOM 2015 N NE1 . TRP A 1 249 ? 34.187 28.495 33.410 1.00 9.42 ? 237 TRP H NE1 1 ATOM 2016 C CE2 . TRP A 1 249 ? 33.373 27.700 32.657 1.00 9.43 ? 237 TRP H CE2 1 ATOM 2017 C CE3 . TRP A 1 249 ? 32.931 27.314 30.303 1.00 10.48 ? 237 TRP H CE3 1 ATOM 2018 C CZ2 . TRP A 1 249 ? 32.430 26.728 33.063 1.00 9.26 ? 237 TRP H CZ2 1 ATOM 2019 C CZ3 . TRP A 1 249 ? 31.981 26.331 30.711 1.00 10.74 ? 237 TRP H CZ3 1 ATOM 2020 C CH2 . TRP A 1 249 ? 31.752 26.057 32.076 1.00 11.37 ? 237 TRP H CH2 1 ATOM 2021 N N . ILE A 1 250 ? 36.248 26.847 28.764 1.00 13.90 ? 238 ILE H N 1 ATOM 2022 C CA . ILE A 1 250 ? 36.189 25.390 28.714 1.00 14.92 ? 238 ILE H CA 1 ATOM 2023 C C . ILE A 1 250 ? 37.518 24.700 29.012 1.00 15.98 ? 238 ILE H C 1 ATOM 2024 O O . ILE A 1 250 ? 37.563 23.791 29.853 1.00 15.21 ? 238 ILE H O 1 ATOM 2025 C CB . ILE A 1 250 ? 35.658 24.877 27.380 1.00 15.09 ? 238 ILE H CB 1 ATOM 2026 C CG1 . ILE A 1 250 ? 34.224 25.376 27.168 1.00 15.21 ? 238 ILE H CG1 1 ATOM 2027 C CG2 . ILE A 1 250 ? 35.678 23.372 27.381 1.00 15.88 ? 238 ILE H CG2 1 ATOM 2028 C CD1 . ILE A 1 250 ? 33.704 25.213 25.771 1.00 14.07 ? 238 ILE H CD1 1 ATOM 2029 N N . GLN A 1 251 ? 38.608 25.148 28.377 1.00 17.50 ? 239 GLN H N 1 ATOM 2030 C CA . GLN A 1 251 ? 39.925 24.503 28.602 1.00 19.22 ? 239 GLN H CA 1 ATOM 2031 C C . GLN A 1 251 ? 40.285 24.707 30.054 1.00 20.77 ? 239 GLN H C 1 ATOM 2032 O O . GLN A 1 251 ? 40.853 23.848 30.728 1.00 22.13 ? 239 GLN H O 1 ATOM 2033 C CB . GLN A 1 251 ? 41.038 25.169 27.802 1.00 20.73 ? 239 GLN H CB 1 ATOM 2034 C CG . GLN A 1 251 ? 40.774 25.347 26.329 1.00 23.65 ? 239 GLN H CG 1 ATOM 2035 C CD . GLN A 1 251 ? 41.734 26.322 25.642 1.00 23.92 ? 239 GLN H CD 1 ATOM 2036 O OE1 . GLN A 1 251 ? 42.135 27.404 26.183 1.00 25.18 ? 239 GLN H OE1 1 ATOM 2037 N NE2 . GLN A 1 251 ? 42.077 25.974 24.432 1.00 23.83 ? 239 GLN H NE2 1 ATOM 2038 N N . LYS A 1 252 ? 39.982 25.904 30.516 1.00 20.18 ? 240 LYS H N 1 ATOM 2039 C CA . LYS A 1 252 ? 40.297 26.257 31.849 1.00 19.58 ? 240 LYS H CA 1 ATOM 2040 C C . LYS A 1 252 ? 39.687 25.296 32.868 1.00 18.56 ? 240 LYS H C 1 ATOM 2041 O O . LYS A 1 252 ? 40.357 24.930 33.829 1.00 18.40 ? 240 LYS H O 1 ATOM 2042 C CB . LYS A 1 252 ? 39.863 27.690 32.079 1.00 21.37 ? 240 LYS H CB 1 ATOM 2043 C CG . LYS A 1 252 ? 40.143 28.161 33.443 1.00 24.61 ? 240 LYS H CG 1 ATOM 2044 C CD . LYS A 1 252 ? 41.382 28.959 33.432 1.00 29.17 ? 240 LYS H CD 1 ATOM 2045 C CE . LYS A 1 252 ? 42.595 28.199 32.957 1.00 27.62 ? 240 LYS H CE 1 ATOM 2046 N NZ . LYS A 1 252 ? 43.496 29.305 32.473 1.00 30.92 ? 240 LYS H NZ 1 ATOM 2047 N N . VAL A 1 253 ? 38.441 24.858 32.695 1.00 17.01 ? 241 VAL H N 1 ATOM 2048 C CA . VAL A 1 253 ? 37.967 23.965 33.722 1.00 14.97 ? 241 VAL H CA 1 ATOM 2049 C C . VAL A 1 253 ? 38.349 22.526 33.473 1.00 15.25 ? 241 VAL H C 1 ATOM 2050 O O . VAL A 1 253 ? 38.725 21.804 34.376 1.00 12.06 ? 241 VAL H O 1 ATOM 2051 C CB . VAL A 1 253 ? 36.407 24.123 34.074 1.00 16.40 ? 241 VAL H CB 1 ATOM 2052 C CG1 . VAL A 1 253 ? 35.741 25.224 33.282 1.00 13.37 ? 241 VAL H CG1 1 ATOM 2053 C CG2 . VAL A 1 253 ? 35.693 22.795 34.093 1.00 14.86 ? 241 VAL H CG2 1 ATOM 2054 N N . ILE A 1 254 ? 38.322 22.132 32.214 1.00 17.01 ? 242 ILE H N 1 ATOM 2055 C CA . ILE A 1 254 ? 38.608 20.767 31.859 1.00 16.08 ? 242 ILE H CA 1 ATOM 2056 C C . ILE A 1 254 ? 40.034 20.372 32.114 1.00 15.69 ? 242 ILE H C 1 ATOM 2057 O O . ILE A 1 254 ? 40.269 19.230 32.453 1.00 14.17 ? 242 ILE H O 1 ATOM 2058 C CB . ILE A 1 254 ? 38.243 20.547 30.409 1.00 18.47 ? 242 ILE H CB 1 ATOM 2059 C CG1 . ILE A 1 254 ? 36.791 20.167 30.340 1.00 16.17 ? 242 ILE H CG1 1 ATOM 2060 C CG2 . ILE A 1 254 ? 39.119 19.489 29.750 1.00 21.30 ? 242 ILE H CG2 1 ATOM 2061 C CD1 . ILE A 1 254 ? 36.400 20.231 28.896 1.00 20.57 ? 242 ILE H CD1 1 ATOM 2062 N N . ASP A 1 255 ? 40.975 21.293 31.914 1.00 14.03 ? 243 ASP H N 1 ATOM 2063 C CA . ASP A 1 255 ? 42.358 20.982 32.183 1.00 14.87 ? 243 ASP H CA 1 ATOM 2064 C C . ASP A 1 255 ? 42.831 21.419 33.590 1.00 15.27 ? 243 ASP H C 1 ATOM 2065 O O . ASP A 1 255 ? 44.026 21.370 33.871 1.00 15.80 ? 243 ASP H O 1 ATOM 2066 C CB . ASP A 1 255 ? 43.259 21.650 31.147 1.00 15.03 ? 243 ASP H CB 1 ATOM 2067 C CG . ASP A 1 255 ? 43.033 21.135 29.743 1.00 17.64 ? 243 ASP H CG 1 ATOM 2068 O OD1 . ASP A 1 255 ? 42.727 19.931 29.558 1.00 18.62 ? 243 ASP H OD1 1 ATOM 2069 O OD2 . ASP A 1 255 ? 43.202 21.950 28.818 1.00 18.29 ? 243 ASP H OD2 1 ATOM 2070 N N . GLN A 1 256 ? 41.912 21.839 34.463 1.00 14.63 ? 244 GLN H N 1 ATOM 2071 C CA . GLN A 1 256 ? 42.274 22.312 35.795 1.00 13.96 ? 244 GLN H CA 1 ATOM 2072 C C . GLN A 1 256 ? 42.973 21.306 36.699 1.00 14.95 ? 244 GLN H C 1 ATOM 2073 O O . GLN A 1 256 ? 44.003 21.609 37.278 1.00 14.76 ? 244 GLN H O 1 ATOM 2074 C CB . GLN A 1 256 ? 41.031 22.847 36.534 1.00 13.07 ? 244 GLN H CB 1 ATOM 2075 C CG . GLN A 1 256 ? 41.333 23.729 37.779 1.00 11.69 ? 244 GLN H CG 1 ATOM 2076 C CD . GLN A 1 256 ? 42.286 24.912 37.513 1.00 14.61 ? 244 GLN H CD 1 ATOM 2077 O OE1 . GLN A 1 256 ? 43.293 25.089 38.221 1.00 13.03 ? 244 GLN H OE1 1 ATOM 2078 N NE2 . GLN A 1 256 ? 41.964 25.733 36.492 1.00 15.66 ? 244 GLN H NE2 1 ATOM 2079 N N . PHE A 1 257 ? 42.393 20.122 36.823 1.00 15.31 ? 245 PHE H N 1 ATOM 2080 C CA . PHE A 1 257 ? 42.919 19.083 37.676 1.00 16.38 ? 245 PHE H CA 1 ATOM 2081 C C . PHE A 1 257 ? 43.559 17.947 36.912 1.00 18.48 ? 245 PHE H C 1 ATOM 2082 O O . PHE A 1 257 ? 43.245 17.696 35.756 1.00 17.80 ? 245 PHE H O 1 ATOM 2083 C CB . PHE A 1 257 ? 41.815 18.569 38.594 1.00 15.36 ? 245 PHE H CB 1 ATOM 2084 C CG . PHE A 1 257 ? 41.333 19.598 39.551 1.00 15.29 ? 245 PHE H CG 1 ATOM 2085 C CD1 . PHE A 1 257 ? 41.931 19.729 40.811 1.00 16.77 ? 245 PHE H CD1 1 ATOM 2086 C CD2 . PHE A 1 257 ? 40.347 20.504 39.168 1.00 14.09 ? 245 PHE H CD2 1 ATOM 2087 C CE1 . PHE A 1 257 ? 41.549 20.770 41.680 1.00 14.51 ? 245 PHE H CE1 1 ATOM 2088 C CE2 . PHE A 1 257 ? 39.965 21.535 40.010 1.00 16.88 ? 245 PHE H CE2 1 ATOM 2089 C CZ . PHE A 1 257 ? 40.564 21.680 41.277 1.00 14.50 ? 245 PHE H CZ 1 ATOM 2090 N N . GLY A 1 258 ? 44.483 17.254 37.547 1.00 21.90 ? 246 GLY H N 1 ATOM 2091 C CA . GLY A 1 258 ? 45.149 16.212 36.808 1.00 26.67 ? 246 GLY H CA 1 ATOM 2092 C C . GLY A 1 258 ? 44.490 14.906 37.152 1.00 31.09 ? 246 GLY H C 1 ATOM 2093 O O . GLY A 1 258 ? 44.767 13.905 36.538 1.00 30.72 ? 246 GLY H O 1 ATOM 2094 N N . GLU A 1 259 ? 43.608 14.906 38.135 1.00 35.42 ? 247 GLU H N 1 ATOM 2095 C CA . GLU A 1 259 ? 43.049 13.629 38.537 1.00 39.76 ? 247 GLU H CA 1 ATOM 2096 C C . GLU A 1 259 ? 42.269 13.103 37.398 1.00 40.08 ? 247 GLU H C 1 ATOM 2097 O O . GLU A 1 259 ? 41.160 13.622 37.200 1.00 40.51 ? 247 GLU H O 1 ATOM 2098 C CB . GLU A 1 259 ? 42.197 13.754 39.798 1.00 40.47 ? 247 GLU H CB 1 ATOM 2099 C CG . GLU A 1 259 ? 43.008 14.291 40.955 1.00 42.38 ? 247 GLU H CG 1 ATOM 2100 C CD . GLU A 1 259 ? 42.654 15.734 41.186 1.00 45.92 ? 247 GLU H CD 1 ATOM 2101 O OE1 . GLU A 1 259 ? 42.077 16.235 40.192 1.00 45.48 ? 247 GLU H OE1 1 ATOM 2102 O OE2 . GLU A 1 259 ? 42.929 16.348 42.292 1.00 43.21 ? 247 GLU H OE2 1 ATOM 2103 O OXT . GLU A 1 259 ? 42.842 12.221 36.707 1.00 42.88 ? 247 GLU H OXT 1 ATOM 2104 N N . THR B 2 1 H 41.099 17.063 34.359 1.00 14.96 ? 1 THR L N 1 ATOM 2105 C CA . THR B 2 1 H 41.806 16.500 33.182 1.00 14.47 ? 1 THR L CA 1 ATOM 2106 C C . THR B 2 1 H 40.807 16.141 32.079 1.00 14.21 ? 1 THR L C 1 ATOM 2107 O O . THR B 2 1 H 39.670 15.739 32.354 1.00 13.27 ? 1 THR L O 1 ATOM 2108 C CB . THR B 2 1 H 42.646 15.232 33.546 1.00 14.63 ? 1 THR L CB 1 ATOM 2109 O OG1 . THR B 2 1 H 43.616 15.046 32.521 1.00 15.72 ? 1 THR L OG1 1 ATOM 2110 C CG2 . THR B 2 1 H 41.785 13.938 33.608 1.00 15.05 ? 1 THR L CG2 1 ATOM 2111 N N . PHE B 2 2 G 41.250 16.292 30.842 1.00 12.87 ? 1 PHE L N 1 ATOM 2112 C CA . PHE B 2 2 G 40.429 16.016 29.682 1.00 15.25 ? 1 PHE L CA 1 ATOM 2113 C C . PHE B 2 2 G 39.887 14.574 29.655 1.00 15.63 ? 1 PHE L C 1 ATOM 2114 O O . PHE B 2 2 G 38.700 14.343 29.426 1.00 16.76 ? 1 PHE L O 1 ATOM 2115 C CB . PHE B 2 2 G 41.255 16.299 28.405 1.00 15.28 ? 1 PHE L CB 1 ATOM 2116 C CG . PHE B 2 2 G 40.434 16.339 27.157 1.00 17.36 ? 1 PHE L CG 1 ATOM 2117 C CD1 . PHE B 2 2 G 39.954 15.172 26.593 1.00 18.29 ? 1 PHE L CD1 1 ATOM 2118 C CD2 . PHE B 2 2 G 40.085 17.562 26.584 1.00 17.36 ? 1 PHE L CD2 1 ATOM 2119 C CE1 . PHE B 2 2 G 39.118 15.205 25.458 1.00 19.14 ? 1 PHE L CE1 1 ATOM 2120 C CE2 . PHE B 2 2 G 39.254 17.605 25.463 1.00 21.50 ? 1 PHE L CE2 1 ATOM 2121 C CZ . PHE B 2 2 G 38.767 16.415 24.898 1.00 18.15 ? 1 PHE L CZ 1 ATOM 2122 N N . GLY B 2 3 F 40.752 13.588 29.873 1.00 15.46 ? 1 GLY L N 1 ATOM 2123 C CA . GLY B 2 3 F 40.265 12.220 29.847 1.00 13.16 ? 1 GLY L CA 1 ATOM 2124 C C . GLY B 2 3 F 40.631 11.624 28.503 1.00 12.66 ? 1 GLY L C 1 ATOM 2125 O O . GLY B 2 3 F 41.308 12.264 27.731 1.00 13.01 ? 1 GLY L O 1 ATOM 2126 N N . SER B 2 4 E 40.202 10.399 28.232 1.00 13.70 ? 1 SER L N 1 ATOM 2127 C CA . SER B 2 4 E 40.463 9.733 26.950 1.00 13.72 ? 1 SER L CA 1 ATOM 2128 C C . SER B 2 4 E 39.574 10.293 25.848 1.00 13.67 ? 1 SER L C 1 ATOM 2129 O O . SER B 2 4 E 38.527 10.912 26.138 1.00 12.47 ? 1 SER L O 1 ATOM 2130 C CB . SER B 2 4 E 40.139 8.235 27.039 1.00 15.10 ? 1 SER L CB 1 ATOM 2131 O OG . SER B 2 4 E 40.923 7.600 28.022 1.00 15.72 ? 1 SER L OG 1 ATOM 2132 N N . GLY B 2 5 D 39.993 10.076 24.594 1.00 14.17 ? 1 GLY L N 1 ATOM 2133 C CA . GLY B 2 5 D 39.191 10.458 23.443 1.00 14.27 ? 1 GLY L CA 1 ATOM 2134 C C . GLY B 2 5 D 39.531 11.654 22.581 1.00 17.13 ? 1 GLY L C 1 ATOM 2135 O O . GLY B 2 5 D 38.992 11.770 21.465 1.00 15.93 ? 1 GLY L O 1 ATOM 2136 N N . GLU B 2 6 C 40.434 12.537 23.001 1.00 16.47 ? 1 GLU L N 1 ATOM 2137 C CA . GLU B 2 6 C 40.631 13.695 22.137 1.00 17.10 ? 1 GLU L CA 1 ATOM 2138 C C . GLU B 2 6 C 41.184 13.385 20.749 1.00 16.87 ? 1 GLU L C 1 ATOM 2139 O O . GLU B 2 6 C 40.637 13.842 19.735 1.00 17.41 ? 1 GLU L O 1 ATOM 2140 C CB . GLU B 2 6 C 41.490 14.759 22.813 1.00 17.94 ? 1 GLU L CB 1 ATOM 2141 C CG . GLU B 2 6 C 41.536 15.981 21.965 1.00 22.35 ? 1 GLU L CG 1 ATOM 2142 C CD . GLU B 2 6 C 42.283 17.125 22.607 1.00 26.74 ? 1 GLU L CD 1 ATOM 2143 O OE1 . GLU B 2 6 C 42.943 16.903 23.640 1.00 29.15 ? 1 GLU L OE1 1 ATOM 2144 O OE2 . GLU B 2 6 C 42.210 18.253 22.073 1.00 29.67 ? 1 GLU L OE2 1 ATOM 2145 N N . ALA B 2 7 B 42.244 12.597 20.687 1.00 15.85 ? 1 ALA L N 1 ATOM 2146 C CA . ALA B 2 7 B 42.846 12.287 19.388 1.00 16.33 ? 1 ALA L CA 1 ATOM 2147 C C . ALA B 2 7 B 41.901 11.654 18.383 1.00 16.65 ? 1 ALA L C 1 ATOM 2148 O O . ALA B 2 7 B 42.062 11.867 17.197 1.00 17.81 ? 1 ALA L O 1 ATOM 2149 C CB . ALA B 2 7 B 44.125 11.368 19.555 1.00 16.57 ? 1 ALA L CB 1 ATOM 2150 N N . ASP B 2 8 A 40.922 10.876 18.831 1.00 16.79 ? 1 ASP L N 1 ATOM 2151 C CA . ASP B 2 8 A 40.012 10.268 17.884 1.00 17.13 ? 1 ASP L CA 1 ATOM 2152 C C . ASP B 2 8 A 38.660 10.983 17.771 1.00 16.49 ? 1 ASP L C 1 ATOM 2153 O O . ASP B 2 8 A 37.725 10.431 17.189 1.00 17.64 ? 1 ASP L O 1 ATOM 2154 C CB . ASP B 2 8 A 39.786 8.794 18.272 1.00 18.98 ? 1 ASP L CB 1 ATOM 2155 C CG . ASP B 2 8 A 39.404 7.919 17.060 1.00 19.46 ? 1 ASP L CG 1 ATOM 2156 O OD1 . ASP B 2 8 A 39.890 8.226 15.959 1.00 20.44 ? 1 ASP L OD1 1 ATOM 2157 O OD2 . ASP B 2 8 A 38.649 6.928 17.194 1.00 19.18 ? 1 ASP L OD2 1 ATOM 2158 N N . CYS B 2 9 ? 38.543 12.200 18.315 1.00 16.39 ? 1 CYS L N 1 ATOM 2159 C CA . CYS B 2 9 ? 37.232 12.893 18.344 1.00 14.70 ? 1 CYS L CA 1 ATOM 2160 C C . CYS B 2 9 ? 36.687 13.181 16.963 1.00 14.71 ? 1 CYS L C 1 ATOM 2161 O O . CYS B 2 9 ? 37.468 13.388 16.014 1.00 14.44 ? 1 CYS L O 1 ATOM 2162 C CB . CYS B 2 9 ? 37.313 14.233 19.107 1.00 14.13 ? 1 CYS L CB 1 ATOM 2163 S SG . CYS B 2 9 ? 38.311 15.550 18.272 1.00 14.67 ? 1 CYS L SG 1 ATOM 2164 N N . GLY B 2 10 ? 35.349 13.243 16.883 1.00 13.20 ? 2 GLY L N 1 ATOM 2165 C CA . GLY B 2 10 ? 34.644 13.555 15.646 1.00 13.67 ? 2 GLY L CA 1 ATOM 2166 C C . GLY B 2 10 ? 34.633 12.529 14.494 1.00 13.40 ? 2 GLY L C 1 ATOM 2167 O O . GLY B 2 10 ? 34.183 12.859 13.389 1.00 15.16 ? 2 GLY L O 1 ATOM 2168 N N . LEU B 2 11 ? 35.152 11.326 14.737 1.00 13.01 ? 3 LEU L N 1 ATOM 2169 C CA . LEU B 2 11 ? 35.173 10.252 13.748 1.00 13.15 ? 3 LEU L CA 1 ATOM 2170 C C . LEU B 2 11 ? 34.188 9.186 14.250 1.00 14.07 ? 3 LEU L C 1 ATOM 2171 O O . LEU B 2 11 ? 34.419 8.505 15.286 1.00 15.58 ? 3 LEU L O 1 ATOM 2172 C CB . LEU B 2 11 ? 36.583 9.694 13.608 1.00 12.00 ? 3 LEU L CB 1 ATOM 2173 C CG . LEU B 2 11 ? 37.589 10.725 13.056 1.00 11.73 ? 3 LEU L CG 1 ATOM 2174 C CD1 . LEU B 2 11 ? 39.031 10.147 13.035 1.00 10.19 ? 3 LEU L CD1 1 ATOM 2175 C CD2 . LEU B 2 11 ? 37.158 11.135 11.658 1.00 9.76 ? 3 LEU L CD2 1 ATOM 2176 N N . ARG B 2 12 ? 33.086 9.043 13.535 1.00 11.82 ? 4 ARG L N 1 ATOM 2177 C CA . ARG B 2 12 ? 32.079 8.130 14.013 1.00 13.21 ? 4 ARG L CA 1 ATOM 2178 C C . ARG B 2 12 ? 32.336 6.687 13.648 1.00 15.12 ? 4 ARG L C 1 ATOM 2179 O O . ARG B 2 12 ? 32.637 6.357 12.492 1.00 16.06 ? 4 ARG L O 1 ATOM 2180 C CB . ARG B 2 12 ? 30.683 8.522 13.517 1.00 12.70 ? 4 ARG L CB 1 ATOM 2181 C CG . ARG B 2 12 ? 30.181 9.910 13.894 1.00 11.06 ? 4 ARG L CG 1 ATOM 2182 C CD . ARG B 2 12 ? 28.988 10.309 13.016 1.00 12.39 ? 4 ARG L CD 1 ATOM 2183 N NE . ARG B 2 12 ? 29.328 10.523 11.578 1.00 10.77 ? 4 ARG L NE 1 ATOM 2184 C CZ . ARG B 2 12 ? 28.429 10.800 10.635 1.00 11.09 ? 4 ARG L CZ 1 ATOM 2185 N NH1 . ARG B 2 12 ? 27.132 10.922 10.957 1.00 11.09 ? 4 ARG L NH1 1 ATOM 2186 N NH2 . ARG B 2 12 ? 28.801 10.907 9.357 1.00 10.52 ? 4 ARG L NH2 1 ATOM 2187 N N . PRO B 2 13 ? 32.230 5.798 14.640 1.00 15.49 ? 5 PRO L N 1 ATOM 2188 C CA . PRO B 2 13 ? 32.450 4.369 14.353 1.00 15.22 ? 5 PRO L CA 1 ATOM 2189 C C . PRO B 2 13 ? 31.600 3.806 13.197 1.00 15.52 ? 5 PRO L C 1 ATOM 2190 O O . PRO B 2 13 ? 32.077 2.954 12.437 1.00 14.64 ? 5 PRO L O 1 ATOM 2191 C CB . PRO B 2 13 ? 32.081 3.680 15.672 1.00 14.29 ? 5 PRO L CB 1 ATOM 2192 C CG . PRO B 2 13 ? 32.553 4.698 16.730 1.00 14.56 ? 5 PRO L CG 1 ATOM 2193 C CD . PRO B 2 13 ? 32.220 6.077 16.093 1.00 13.98 ? 5 PRO L CD 1 ATOM 2194 N N . LEU B 2 14 ? 30.345 4.244 13.056 1.00 14.65 ? 6 LEU L N 1 ATOM 2195 C CA . LEU B 2 14 ? 29.519 3.639 12.017 1.00 14.46 ? 6 LEU L CA 1 ATOM 2196 C C . LEU B 2 14 ? 29.527 4.368 10.715 1.00 14.69 ? 6 LEU L C 1 ATOM 2197 O O . LEU B 2 14 ? 28.865 3.957 9.777 1.00 15.14 ? 6 LEU L O 1 ATOM 2198 C CB . LEU B 2 14 ? 28.076 3.447 12.516 1.00 14.99 ? 6 LEU L CB 1 ATOM 2199 C CG . LEU B 2 14 ? 28.014 2.502 13.740 1.00 17.84 ? 6 LEU L CG 1 ATOM 2200 C CD1 . LEU B 2 14 ? 26.553 2.398 14.250 1.00 18.68 ? 6 LEU L CD1 1 ATOM 2201 C CD2 . LEU B 2 14 ? 28.558 1.110 13.397 1.00 16.83 ? 6 LEU L CD2 1 ATOM 2202 N N . PHE B 2 15 ? 30.306 5.445 10.633 1.00 15.44 ? 7 PHE L N 1 ATOM 2203 C CA . PHE B 2 15 ? 30.360 6.205 9.393 1.00 15.08 ? 7 PHE L CA 1 ATOM 2204 C C . PHE B 2 15 ? 31.786 6.429 8.925 1.00 15.21 ? 7 PHE L C 1 ATOM 2205 O O . PHE B 2 15 ? 32.300 5.563 8.230 1.00 14.40 ? 7 PHE L O 1 ATOM 2206 C CB . PHE B 2 15 ? 29.538 7.501 9.538 1.00 14.07 ? 7 PHE L CB 1 ATOM 2207 C CG . PHE B 2 15 ? 28.054 7.235 9.683 1.00 15.53 ? 7 PHE L CG 1 ATOM 2208 C CD1 . PHE B 2 15 ? 27.266 6.962 8.560 1.00 16.86 ? 7 PHE L CD1 1 ATOM 2209 C CD2 . PHE B 2 15 ? 27.468 7.126 10.961 1.00 16.29 ? 7 PHE L CD2 1 ATOM 2210 C CE1 . PHE B 2 15 ? 25.874 6.560 8.694 1.00 17.91 ? 7 PHE L CE1 1 ATOM 2211 C CE2 . PHE B 2 15 ? 26.104 6.734 11.140 1.00 17.84 ? 7 PHE L CE2 1 ATOM 2212 C CZ . PHE B 2 15 ? 25.296 6.445 9.992 1.00 18.54 ? 7 PHE L CZ 1 ATOM 2213 N N . GLU B 2 16 ? 32.434 7.537 9.306 1.00 14.97 ? 8 GLU L N 1 ATOM 2214 C CA . GLU B 2 16 ? 33.812 7.792 8.880 1.00 15.75 ? 8 GLU L CA 1 ATOM 2215 C C . GLU B 2 16 ? 34.750 6.588 9.052 1.00 17.27 ? 8 GLU L C 1 ATOM 2216 O O . GLU B 2 16 ? 35.565 6.312 8.186 1.00 16.39 ? 8 GLU L O 1 ATOM 2217 C CB . GLU B 2 16 ? 34.440 9.011 9.624 1.00 14.33 ? 8 GLU L CB 1 ATOM 2218 C CG . GLU B 2 16 ? 33.881 10.446 9.271 1.00 16.01 ? 8 GLU L CG 1 ATOM 2219 C CD . GLU B 2 16 ? 32.433 10.704 9.783 1.00 17.60 ? 8 GLU L CD 1 ATOM 2220 O OE1 . GLU B 2 16 ? 32.012 10.039 10.769 1.00 17.95 ? 8 GLU L OE1 1 ATOM 2221 O OE2 . GLU B 2 16 ? 31.720 11.585 9.228 1.00 16.67 ? 8 GLU L OE2 1 ATOM 2222 N N . LYS B 2 17 ? 34.642 5.871 10.170 1.00 18.90 ? 9 LYS L N 1 ATOM 2223 C CA . LYS B 2 17 ? 35.535 4.756 10.423 1.00 21.17 ? 9 LYS L CA 1 ATOM 2224 C C . LYS B 2 17 ? 35.353 3.542 9.481 1.00 22.19 ? 9 LYS L C 1 ATOM 2225 O O . LYS B 2 17 ? 36.205 2.628 9.402 1.00 22.26 ? 9 LYS L O 1 ATOM 2226 C CB . LYS B 2 17 ? 35.350 4.298 11.855 1.00 22.69 ? 9 LYS L CB 1 ATOM 2227 C CG . LYS B 2 17 ? 36.541 4.528 12.688 1.00 23.94 ? 9 LYS L CG 1 ATOM 2228 C CD . LYS B 2 17 ? 36.451 5.800 13.493 1.00 23.17 ? 9 LYS L CD 1 ATOM 2229 C CE . LYS B 2 17 ? 37.734 5.994 14.307 1.00 26.17 ? 9 LYS L CE 1 ATOM 2230 N NZ . LYS B 2 17 ? 37.961 4.906 15.326 1.00 25.04 ? 9 LYS L NZ 1 ATOM 2231 N N . LYS B 2 18 ? 34.229 3.535 8.783 1.00 21.21 ? 10 LYS L N 1 ATOM 2232 C CA . LYS B 2 18 ? 33.892 2.471 7.856 1.00 22.03 ? 10 LYS L CA 1 ATOM 2233 C C . LYS B 2 18 ? 33.906 3.062 6.477 1.00 20.69 ? 10 LYS L C 1 ATOM 2234 O O . LYS B 2 18 ? 33.537 2.407 5.509 1.00 21.95 ? 10 LYS L O 1 ATOM 2235 C CB . LYS B 2 18 ? 32.475 1.955 8.155 1.00 23.86 ? 10 LYS L CB 1 ATOM 2236 C CG . LYS B 2 18 ? 32.413 1.092 9.406 1.00 28.21 ? 10 LYS L CG 1 ATOM 2237 C CD . LYS B 2 18 ? 30.974 0.782 9.885 1.00 28.71 ? 10 LYS L CD 1 ATOM 2238 C CE . LYS B 2 18 ? 30.148 0.208 8.781 1.00 30.92 ? 10 LYS L CE 1 ATOM 2239 N NZ . LYS B 2 18 ? 28.870 -0.383 9.341 1.00 34.43 ? 10 LYS L NZ 1 ATOM 2240 N N . SER B 2 19 ? 34.305 4.322 6.381 1.00 20.41 ? 11 SER L N 1 ATOM 2241 C CA . SER B 2 19 ? 34.283 4.969 5.087 1.00 20.37 ? 11 SER L CA 1 ATOM 2242 C C . SER B 2 19 ? 32.844 4.993 4.556 1.00 20.89 ? 11 SER L C 1 ATOM 2243 O O . SER B 2 19 ? 32.624 4.681 3.404 1.00 22.62 ? 11 SER L O 1 ATOM 2244 C CB . SER B 2 19 ? 35.175 4.195 4.108 1.00 20.50 ? 11 SER L CB 1 ATOM 2245 O OG . SER B 2 19 ? 36.514 4.249 4.554 1.00 21.32 ? 11 SER L OG 1 ATOM 2246 N N . LEU B 2 20 ? 31.857 5.311 5.390 1.00 21.10 ? 12 LEU L N 1 ATOM 2247 C CA . LEU B 2 20 ? 30.472 5.413 4.918 1.00 21.76 ? 12 LEU L CA 1 ATOM 2248 C C . LEU B 2 20 ? 29.894 6.798 5.212 1.00 21.55 ? 12 LEU L C 1 ATOM 2249 O O . LEU B 2 20 ? 29.933 7.252 6.359 1.00 21.81 ? 12 LEU L O 1 ATOM 2250 C CB . LEU B 2 20 ? 29.562 4.386 5.586 1.00 22.77 ? 12 LEU L CB 1 ATOM 2251 C CG . LEU B 2 20 ? 29.895 2.896 5.471 1.00 24.86 ? 12 LEU L CG 1 ATOM 2252 C CD1 . LEU B 2 20 ? 28.927 2.087 6.389 1.00 22.08 ? 12 LEU L CD1 1 ATOM 2253 C CD2 . LEU B 2 20 ? 29.758 2.455 3.961 1.00 23.50 ? 12 LEU L CD2 1 ATOM 2254 N N . GLU B 2 21 ? 29.345 7.471 4.214 1.00 19.52 ? 13 GLU L N 1 ATOM 2255 C CA . GLU B 2 21 ? 28.771 8.773 4.492 1.00 22.35 ? 13 GLU L CA 1 ATOM 2256 C C . GLU B 2 21 ? 27.375 8.601 5.016 1.00 21.43 ? 13 GLU L C 1 ATOM 2257 O O . GLU B 2 21 ? 26.751 7.592 4.696 1.00 21.36 ? 13 GLU L O 1 ATOM 2258 C CB . GLU B 2 21 ? 28.738 9.613 3.254 1.00 23.21 ? 13 GLU L CB 1 ATOM 2259 C CG . GLU B 2 21 ? 30.142 9.865 2.748 1.00 28.93 ? 13 GLU L CG 1 ATOM 2260 C CD . GLU B 2 21 ? 30.138 10.661 1.474 1.00 31.03 ? 13 GLU L CD 1 ATOM 2261 O OE1 . GLU B 2 21 ? 29.115 10.587 0.776 1.00 31.72 ? 13 GLU L OE1 1 ATOM 2262 O OE2 . GLU B 2 21 ? 31.145 11.345 1.167 1.00 34.76 ? 13 GLU L OE2 1 ATOM 2263 N N . ASP B 2 22 ? 26.899 9.512 5.872 1.00 19.80 ? 14 ASP L N 1 ATOM 2264 C CA . ASP B 2 22 ? 25.508 9.366 6.334 1.00 20.09 ? 14 ASP L CA 1 ATOM 2265 C C . ASP B 2 22 ? 24.565 9.958 5.251 1.00 18.66 ? 14 ASP L C 1 ATOM 2266 O O . ASP B 2 22 ? 25.040 10.499 4.255 1.00 18.20 ? 14 ASP L O 1 ATOM 2267 C CB . ASP B 2 22 ? 25.294 10.006 7.734 1.00 19.25 ? 14 ASP L CB 1 ATOM 2268 C CG . ASP B 2 22 ? 25.419 11.535 7.736 1.00 20.67 ? 14 ASP L CG 1 ATOM 2269 O OD1 . ASP B 2 22 ? 24.771 12.205 6.889 1.00 22.33 ? 14 ASP L OD1 1 ATOM 2270 O OD2 . ASP B 2 22 ? 26.141 12.066 8.617 1.00 19.67 ? 14 ASP L OD2 1 ATOM 2271 N N . LYS B 2 23 A 23.249 9.906 5.416 1.00 19.71 ? 14 LYS L N 1 ATOM 2272 C CA . LYS B 2 23 A 22.433 10.405 4.315 1.00 21.11 ? 14 LYS L CA 1 ATOM 2273 C C . LYS B 2 23 A 22.389 11.874 3.887 1.00 20.62 ? 14 LYS L C 1 ATOM 2274 O O . LYS B 2 23 A 22.048 12.137 2.740 1.00 18.92 ? 14 LYS L O 1 ATOM 2275 C CB . LYS B 2 23 A 20.949 10.171 4.600 1.00 23.80 ? 14 LYS L CB 1 ATOM 2276 C CG . LYS B 2 23 A 20.672 9.490 5.929 1.00 31.80 ? 14 LYS L CG 1 ATOM 2277 C CD . LYS B 2 23 A 20.493 10.507 7.043 1.00 36.11 ? 14 LYS L CD 1 ATOM 2278 C CE . LYS B 2 23 A 19.754 9.905 8.226 1.00 38.34 ? 14 LYS L CE 1 ATOM 2279 N NZ . LYS B 2 23 A 19.571 10.891 9.326 1.00 36.23 ? 14 LYS L NZ 1 ATOM 2280 N N . THR B 2 24 B 22.765 12.828 4.731 1.00 18.79 ? 14 THR L N 1 ATOM 2281 C CA . THR B 2 24 B 22.628 14.226 4.324 1.00 17.91 ? 14 THR L CA 1 ATOM 2282 C C . THR B 2 24 B 23.879 15.020 4.524 1.00 18.43 ? 14 THR L C 1 ATOM 2283 O O . THR B 2 24 B 23.917 16.224 4.313 1.00 18.52 ? 14 THR L O 1 ATOM 2284 C CB . THR B 2 24 B 21.503 14.886 5.133 1.00 19.08 ? 14 THR L CB 1 ATOM 2285 O OG1 . THR B 2 24 B 21.747 14.701 6.551 1.00 16.37 ? 14 THR L OG1 1 ATOM 2286 C CG2 . THR B 2 24 B 20.168 14.258 4.745 1.00 15.97 ? 14 THR L CG2 1 ATOM 2287 N N . GLU B 2 25 C 24.897 14.327 4.988 1.00 17.21 ? 14 GLU L N 1 ATOM 2288 C CA . GLU B 2 25 C 26.185 14.909 5.259 1.00 18.36 ? 14 GLU L CA 1 ATOM 2289 C C . GLU B 2 25 C 26.745 15.695 4.058 1.00 19.23 ? 14 GLU L C 1 ATOM 2290 O O . GLU B 2 25 C 27.399 16.718 4.249 1.00 20.24 ? 14 GLU L O 1 ATOM 2291 C CB . GLU B 2 25 C 27.050 13.726 5.688 1.00 18.91 ? 14 GLU L CB 1 ATOM 2292 C CG . GLU B 2 25 C 28.445 13.849 5.578 1.00 19.91 ? 14 GLU L CG 1 ATOM 2293 C CD . GLU B 2 25 C 29.213 12.503 5.701 1.00 17.17 ? 14 GLU L CD 1 ATOM 2294 O OE1 . GLU B 2 25 C 28.717 11.460 6.206 1.00 13.38 ? 14 GLU L OE1 1 ATOM 2295 O OE2 . GLU B 2 25 C 30.390 12.548 5.322 1.00 20.53 ? 14 GLU L OE2 1 ATOM 2296 N N . ARG B 2 26 D 26.485 15.251 2.822 1.00 20.08 ? 14 ARG L N 1 ATOM 2297 C CA . ARG B 2 26 D 27.009 15.982 1.631 1.00 21.59 ? 14 ARG L CA 1 ATOM 2298 C C . ARG B 2 26 D 26.366 17.365 1.519 1.00 20.10 ? 14 ARG L C 1 ATOM 2299 O O . ARG B 2 26 D 26.959 18.316 1.025 1.00 20.42 ? 14 ARG L O 1 ATOM 2300 C CB . ARG B 2 26 D 26.771 15.176 0.334 1.00 25.73 ? 14 ARG L CB 1 ATOM 2301 C CG . ARG B 2 26 D 28.042 15.000 -0.536 1.00 33.89 ? 14 ARG L CG 1 ATOM 2302 C CD . ARG B 2 26 D 28.100 13.590 -1.157 1.00 39.85 ? 14 ARG L CD 1 ATOM 2303 N NE . ARG B 2 26 D 27.748 12.587 -0.130 1.00 45.85 ? 14 ARG L NE 1 ATOM 2304 C CZ . ARG B 2 26 D 27.036 11.466 -0.323 1.00 46.80 ? 14 ARG L CZ 1 ATOM 2305 N NH1 . ARG B 2 26 D 26.563 11.140 -1.532 1.00 48.96 ? 14 ARG L NH1 1 ATOM 2306 N NH2 . ARG B 2 26 D 26.777 10.679 0.716 1.00 45.17 ? 14 ARG L NH2 1 ATOM 2307 N N . GLU B 2 27 E 25.131 17.459 1.974 1.00 17.24 ? 14 GLU L N 1 ATOM 2308 C CA . GLU B 2 27 E 24.455 18.730 1.997 1.00 18.31 ? 14 GLU L CA 1 ATOM 2309 C C . GLU B 2 27 E 25.321 19.743 2.810 1.00 18.28 ? 14 GLU L C 1 ATOM 2310 O O . GLU B 2 27 E 25.372 20.919 2.458 1.00 18.30 ? 14 GLU L O 1 ATOM 2311 C CB . GLU B 2 27 E 23.057 18.555 2.645 1.00 19.56 ? 14 GLU L CB 1 ATOM 2312 C CG . GLU B 2 27 E 22.130 19.781 2.560 1.00 24.28 ? 14 GLU L CG 1 ATOM 2313 C CD . GLU B 2 27 E 20.916 19.744 3.554 1.00 23.93 ? 14 GLU L CD 1 ATOM 2314 O OE1 . GLU B 2 27 E 20.454 18.616 3.912 1.00 25.29 ? 14 GLU L OE1 1 ATOM 2315 O OE2 . GLU B 2 27 E 20.432 20.841 3.944 1.00 23.62 ? 14 GLU L OE2 1 ATOM 2316 N N . LEU B 2 28 F 25.982 19.323 3.900 1.00 16.77 ? 14 LEU L N 1 ATOM 2317 C CA . LEU B 2 28 F 26.815 20.268 4.642 1.00 16.95 ? 14 LEU L CA 1 ATOM 2318 C C . LEU B 2 28 F 28.041 20.700 3.782 1.00 16.80 ? 14 LEU L C 1 ATOM 2319 O O . LEU B 2 28 F 28.318 21.907 3.609 1.00 17.20 ? 14 LEU L O 1 ATOM 2320 C CB . LEU B 2 28 F 27.308 19.664 5.982 1.00 16.30 ? 14 LEU L CB 1 ATOM 2321 C CG . LEU B 2 28 F 26.234 19.157 6.995 1.00 19.37 ? 14 LEU L CG 1 ATOM 2322 C CD1 . LEU B 2 28 F 26.838 19.025 8.430 1.00 19.24 ? 14 LEU L CD1 1 ATOM 2323 C CD2 . LEU B 2 28 F 25.085 20.139 7.090 1.00 16.94 ? 14 LEU L CD2 1 ATOM 2324 N N . LEU B 2 29 G 28.758 19.703 3.256 1.00 15.00 ? 14 LEU L N 1 ATOM 2325 C CA . LEU B 2 29 G 29.937 19.937 2.422 1.00 16.72 ? 14 LEU L CA 1 ATOM 2326 C C . LEU B 2 29 G 29.599 20.935 1.302 1.00 16.26 ? 14 LEU L C 1 ATOM 2327 O O . LEU B 2 29 G 30.286 21.921 1.115 1.00 16.90 ? 14 LEU L O 1 ATOM 2328 C CB . LEU B 2 29 G 30.429 18.617 1.812 1.00 16.31 ? 14 LEU L CB 1 ATOM 2329 C CG . LEU B 2 29 G 31.926 18.484 1.457 1.00 21.86 ? 14 LEU L CG 1 ATOM 2330 C CD1 . LEU B 2 29 G 32.010 17.909 0.069 1.00 21.87 ? 14 LEU L CD1 1 ATOM 2331 C CD2 . LEU B 2 29 G 32.709 19.785 1.519 1.00 18.11 ? 14 LEU L CD2 1 ATOM 2332 N N . GLU B 2 30 H 28.516 20.674 0.584 1.00 15.65 ? 14 GLU L N 1 ATOM 2333 C CA . GLU B 2 30 H 28.099 21.554 -0.498 1.00 16.58 ? 14 GLU L CA 1 ATOM 2334 C C . GLU B 2 30 H 27.874 23.029 -0.077 1.00 17.91 ? 14 GLU L C 1 ATOM 2335 O O . GLU B 2 30 H 28.172 23.960 -0.820 1.00 16.28 ? 14 GLU L O 1 ATOM 2336 C CB . GLU B 2 30 H 26.852 20.963 -1.137 1.00 16.33 ? 14 GLU L CB 1 ATOM 2337 C CG . GLU B 2 30 H 27.123 19.713 -1.907 1.00 18.89 ? 14 GLU L CG 1 ATOM 2338 C CD . GLU B 2 30 H 25.857 19.025 -2.305 1.00 22.89 ? 14 GLU L CD 1 ATOM 2339 O OE1 . GLU B 2 30 H 24.806 19.677 -2.287 1.00 27.70 ? 14 GLU L OE1 1 ATOM 2340 O OE2 . GLU B 2 30 H 25.884 17.832 -2.644 1.00 27.67 ? 14 GLU L OE2 1 ATOM 2341 N N . SER B 2 31 I 27.383 23.249 1.141 1.00 18.85 ? 14 SER L N 1 ATOM 2342 C CA . SER B 2 31 I 27.155 24.615 1.586 1.00 19.08 ? 14 SER L CA 1 ATOM 2343 C C . SER B 2 31 I 28.432 25.346 1.920 1.00 19.85 ? 14 SER L C 1 ATOM 2344 O O . SER B 2 31 I 28.396 26.574 2.078 1.00 21.34 ? 14 SER L O 1 ATOM 2345 C CB . SER B 2 31 I 26.254 24.667 2.819 1.00 17.80 ? 14 SER L CB 1 ATOM 2346 O OG . SER B 2 31 I 26.981 24.261 3.960 1.00 17.87 ? 14 SER L OG 1 ATOM 2347 N N . TYR B 2 32 J 29.541 24.613 2.034 1.00 20.28 ? 14 TYR L N 1 ATOM 2348 C CA . TYR B 2 32 J 30.842 25.199 2.391 1.00 21.52 ? 14 TYR L CA 1 ATOM 2349 C C . TYR B 2 32 J 31.660 25.695 1.208 1.00 24.05 ? 14 TYR L C 1 ATOM 2350 O O . TYR B 2 32 J 32.767 26.211 1.421 1.00 24.68 ? 14 TYR L O 1 ATOM 2351 C CB . TYR B 2 32 J 31.744 24.182 3.124 1.00 18.69 ? 14 TYR L CB 1 ATOM 2352 C CG . TYR B 2 32 J 31.209 23.630 4.390 1.00 17.69 ? 14 TYR L CG 1 ATOM 2353 C CD1 . TYR B 2 32 J 30.123 24.222 5.024 1.00 18.30 ? 14 TYR L CD1 1 ATOM 2354 C CD2 . TYR B 2 32 J 31.775 22.485 4.961 1.00 16.30 ? 14 TYR L CD2 1 ATOM 2355 C CE1 . TYR B 2 32 J 29.591 23.674 6.222 1.00 20.26 ? 14 TYR L CE1 1 ATOM 2356 C CE2 . TYR B 2 32 J 31.276 21.925 6.139 1.00 17.59 ? 14 TYR L CE2 1 ATOM 2357 C CZ . TYR B 2 32 J 30.170 22.511 6.777 1.00 20.56 ? 14 TYR L CZ 1 ATOM 2358 O OH . TYR B 2 32 J 29.561 21.894 7.886 1.00 19.67 ? 14 TYR L OH 1 ATOM 2359 N N . ILE B 2 33 K 31.155 25.512 -0.019 1.00 26.66 ? 14 ILE L N 1 ATOM 2360 C CA . ILE B 2 33 K 31.872 25.916 -1.240 1.00 28.47 ? 14 ILE L CA 1 ATOM 2361 C C . ILE B 2 33 K 31.537 27.331 -1.604 1.00 32.69 ? 14 ILE L C 1 ATOM 2362 O O . ILE B 2 33 K 30.359 27.672 -1.766 1.00 31.66 ? 14 ILE L O 1 ATOM 2363 C CB . ILE B 2 33 K 31.492 25.061 -2.469 1.00 27.85 ? 14 ILE L CB 1 ATOM 2364 C CG1 . ILE B 2 33 K 31.454 23.572 -2.107 1.00 24.36 ? 14 ILE L CG1 1 ATOM 2365 C CG2 . ILE B 2 33 K 32.516 25.294 -3.596 1.00 25.51 ? 14 ILE L CG2 1 ATOM 2366 C CD1 . ILE B 2 33 K 32.771 23.061 -1.634 1.00 24.00 ? 14 ILE L CD1 1 ATOM 2367 N N . ASP B 2 34 L 32.594 28.129 -1.754 1.00 36.97 ? 14 ASP L N 1 ATOM 2368 C CA . ASP B 2 34 L 32.542 29.557 -2.100 1.00 41.19 ? 14 ASP L CA 1 ATOM 2369 C C . ASP B 2 34 L 32.296 30.325 -0.820 1.00 42.38 ? 14 ASP L C 1 ATOM 2370 O O . ASP B 2 34 L 32.193 29.730 0.246 1.00 44.34 ? 14 ASP L O 1 ATOM 2371 C CB . ASP B 2 34 L 31.436 29.897 -3.118 1.00 43.14 ? 14 ASP L CB 1 ATOM 2372 C CG . ASP B 2 34 L 30.130 30.326 -2.447 1.00 45.41 ? 14 ASP L CG 1 ATOM 2373 O OD1 . ASP B 2 34 L 30.168 31.045 -1.417 1.00 45.91 ? 14 ASP L OD1 1 ATOM 2374 O OD2 . ASP B 2 34 L 29.050 29.947 -2.964 1.00 48.03 ? 14 ASP L OD2 1 ATOM 2375 P P . DG C 3 1 ? 11.319 -6.871 37.313 1.00 29.95 ? 1 DG D P 1 ATOM 2376 O OP1 . DG C 3 1 ? 11.947 -8.199 37.198 1.00 29.77 ? 1 DG D OP1 1 ATOM 2377 O OP2 . DG C 3 1 ? 10.709 -6.430 38.605 1.00 28.75 ? 1 DG D OP2 1 ATOM 2378 O "O5'" . DG C 3 1 ? 10.214 -6.756 36.192 1.00 28.75 ? 1 DG D "O5'" 1 ATOM 2379 C "C5'" . DG C 3 1 ? 9.376 -7.775 35.968 1.00 30.11 ? 1 DG D "C5'" 1 ATOM 2380 C "C4'" . DG C 3 1 ? 8.393 -7.363 34.921 1.00 31.69 ? 1 DG D "C4'" 1 ATOM 2381 O "O4'" . DG C 3 1 ? 9.133 -6.975 33.718 1.00 27.42 ? 1 DG D "O4'" 1 ATOM 2382 C "C3'" . DG C 3 1 ? 7.597 -8.625 34.604 1.00 31.41 ? 1 DG D "C3'" 1 ATOM 2383 O "O3'" . DG C 3 1 ? 6.198 -8.339 34.559 1.00 37.03 ? 1 DG D "O3'" 1 ATOM 2384 C "C2'" . DG C 3 1 ? 8.183 -9.092 33.283 1.00 29.41 ? 1 DG D "C2'" 1 ATOM 2385 C "C1'" . DG C 3 1 ? 8.721 -7.810 32.638 1.00 27.64 ? 1 DG D "C1'" 1 ATOM 2386 N N9 . DG C 3 1 ? 9.856 -8.078 31.745 1.00 25.86 ? 1 DG D N9 1 ATOM 2387 C C8 . DG C 3 1 ? 11.063 -8.673 32.075 1.00 25.00 ? 1 DG D C8 1 ATOM 2388 N N7 . DG C 3 1 ? 11.819 -8.916 31.037 1.00 22.13 ? 1 DG D N7 1 ATOM 2389 C C5 . DG C 3 1 ? 11.095 -8.425 29.957 1.00 22.29 ? 1 DG D C5 1 ATOM 2390 C C6 . DG C 3 1 ? 11.377 -8.453 28.575 1.00 19.47 ? 1 DG D C6 1 ATOM 2391 O O6 . DG C 3 1 ? 12.334 -8.938 27.995 1.00 20.07 ? 1 DG D O6 1 ATOM 2392 N N1 . DG C 3 1 ? 10.372 -7.871 27.842 1.00 19.48 ? 1 DG D N1 1 ATOM 2393 C C2 . DG C 3 1 ? 9.218 -7.331 28.355 1.00 19.11 ? 1 DG D C2 1 ATOM 2394 N N2 . DG C 3 1 ? 8.341 -6.803 27.461 1.00 18.12 ? 1 DG D N2 1 ATOM 2395 N N3 . DG C 3 1 ? 8.933 -7.308 29.630 1.00 21.23 ? 1 DG D N3 1 ATOM 2396 C C4 . DG C 3 1 ? 9.896 -7.875 30.376 1.00 23.16 ? 1 DG D C4 1 ATOM 2397 P P . DG C 3 2 ? 17.040 -2.734 35.447 1.00 26.56 ? 2 DG D P 1 ATOM 2398 O OP1 . DG C 3 2 ? 16.893 -2.393 36.889 1.00 27.61 ? 2 DG D OP1 1 ATOM 2399 O OP2 . DG C 3 2 ? 18.195 -3.551 35.013 1.00 26.55 ? 2 DG D OP2 1 ATOM 2400 O "O5'" . DG C 3 2 ? 15.718 -3.407 34.897 1.00 25.60 ? 2 DG D "O5'" 1 ATOM 2401 C "C5'" . DG C 3 2 ? 15.303 -4.660 35.338 1.00 24.66 ? 2 DG D "C5'" 1 ATOM 2402 C "C4'" . DG C 3 2 ? 13.803 -4.652 35.476 1.00 23.09 ? 2 DG D "C4'" 1 ATOM 2403 O "O4'" . DG C 3 2 ? 13.149 -4.316 34.230 1.00 23.84 ? 2 DG D "O4'" 1 ATOM 2404 C "C3'" . DG C 3 2 ? 13.222 -5.981 35.886 1.00 23.40 ? 2 DG D "C3'" 1 ATOM 2405 O "O3'" . DG C 3 2 ? 12.230 -5.666 36.848 1.00 26.50 ? 2 DG D "O3'" 1 ATOM 2406 C "C2'" . DG C 3 2 ? 12.706 -6.585 34.581 1.00 20.67 ? 2 DG D "C2'" 1 ATOM 2407 C "C1'" . DG C 3 2 ? 12.307 -5.376 33.786 1.00 19.05 ? 2 DG D "C1'" 1 ATOM 2408 N N9 . DG C 3 2 ? 12.421 -5.450 32.327 1.00 18.90 ? 2 DG D N9 1 ATOM 2409 C C8 . DG C 3 2 ? 11.460 -5.018 31.458 1.00 17.01 ? 2 DG D C8 1 ATOM 2410 N N7 . DG C 3 2 ? 11.779 -5.164 30.202 1.00 16.13 ? 2 DG D N7 1 ATOM 2411 C C5 . DG C 3 2 ? 13.042 -5.731 30.225 1.00 16.55 ? 2 DG D C5 1 ATOM 2412 C C6 . DG C 3 2 ? 13.864 -6.120 29.158 1.00 16.76 ? 2 DG D C6 1 ATOM 2413 O O6 . DG C 3 2 ? 13.670 -5.972 27.945 1.00 17.94 ? 2 DG D O6 1 ATOM 2414 N N1 . DG C 3 2 ? 15.025 -6.724 29.600 1.00 16.70 ? 2 DG D N1 1 ATOM 2415 C C2 . DG C 3 2 ? 15.384 -6.883 30.912 1.00 18.55 ? 2 DG D C2 1 ATOM 2416 N N2 . DG C 3 2 ? 16.579 -7.497 31.105 1.00 18.73 ? 2 DG D N2 1 ATOM 2417 N N3 . DG C 3 2 ? 14.636 -6.484 31.945 1.00 17.69 ? 2 DG D N3 1 ATOM 2418 C C4 . DG C 3 2 ? 13.469 -5.930 31.527 1.00 17.98 ? 2 DG D C4 1 ATOM 2419 O "O5'" . DT C 3 3 ? 14.206 0.780 32.816 1.00 31.82 ? 3 DT D "O5'" 1 ATOM 2420 C "C5'" . DT C 3 3 ? 15.225 1.608 33.352 1.00 33.58 ? 3 DT D "C5'" 1 ATOM 2421 C "C4'" . DT C 3 3 ? 16.450 0.804 33.708 1.00 37.05 ? 3 DT D "C4'" 1 ATOM 2422 O "O4'" . DT C 3 3 ? 17.598 1.653 33.993 1.00 40.26 ? 3 DT D "O4'" 1 ATOM 2423 C "C3'" . DT C 3 3 ? 16.315 -0.147 34.889 1.00 37.50 ? 3 DT D "C3'" 1 ATOM 2424 O "O3'" . DT C 3 3 ? 16.992 -1.363 34.616 1.00 32.92 ? 3 DT D "O3'" 1 ATOM 2425 C "C2'" . DT C 3 3 ? 16.995 0.590 36.036 1.00 39.52 ? 3 DT D "C2'" 1 ATOM 2426 C "C1'" . DT C 3 3 ? 18.091 1.367 35.296 1.00 42.12 ? 3 DT D "C1'" 1 ATOM 2427 N N1 . DT C 3 3 ? 18.508 2.635 35.978 1.00 45.87 ? 3 DT D N1 1 ATOM 2428 C C2 . DT C 3 3 ? 19.877 2.870 36.149 1.00 45.85 ? 3 DT D C2 1 ATOM 2429 O O2 . DT C 3 3 ? 20.748 2.148 35.696 1.00 49.75 ? 3 DT D O2 1 ATOM 2430 N N3 . DT C 3 3 ? 20.187 3.991 36.854 1.00 46.00 ? 3 DT D N3 1 ATOM 2431 C C4 . DT C 3 3 ? 19.307 4.914 37.382 1.00 47.27 ? 3 DT D C4 1 ATOM 2432 O O4 . DT C 3 3 ? 19.757 5.866 38.040 1.00 47.23 ? 3 DT D O4 1 ATOM 2433 C C5 . DT C 3 3 ? 17.875 4.652 37.109 1.00 46.61 ? 3 DT D C5 1 ATOM 2434 C C7 . DT C 3 3 ? 16.841 5.639 37.551 1.00 45.53 ? 3 DT D C7 1 ATOM 2435 C C6 . DT C 3 3 ? 17.562 3.532 36.446 1.00 45.68 ? 3 DT D C6 1 ATOM 2436 P P . DT C 3 4 ? 12.662 1.102 33.138 1.00 28.75 ? 4 DT D P 1 ATOM 2437 O OP1 . DT C 3 4 ? 12.524 2.501 33.594 1.00 31.91 ? 4 DT D OP1 1 ATOM 2438 O OP2 . DT C 3 4 ? 12.203 0.029 34.045 1.00 33.26 ? 4 DT D OP2 1 ATOM 2439 O "O5'" . DT C 3 4 ? 11.920 0.954 31.725 1.00 27.04 ? 4 DT D "O5'" 1 ATOM 2440 C "C5'" . DT C 3 4 ? 11.844 2.056 30.835 1.00 24.92 ? 4 DT D "C5'" 1 ATOM 2441 C "C4'" . DT C 3 4 ? 11.370 1.548 29.513 1.00 24.18 ? 4 DT D "C4'" 1 ATOM 2442 O "O4'" . DT C 3 4 ? 12.363 0.729 28.833 1.00 23.32 ? 4 DT D "O4'" 1 ATOM 2443 C "C3'" . DT C 3 4 ? 10.106 0.716 29.577 1.00 24.48 ? 4 DT D "C3'" 1 ATOM 2444 O "O3'" . DT C 3 4 ? 9.361 1.087 28.433 1.00 28.21 ? 4 DT D "O3'" 1 ATOM 2445 C "C2'" . DT C 3 4 ? 10.614 -0.722 29.540 1.00 22.71 ? 4 DT D "C2'" 1 ATOM 2446 C "C1'" . DT C 3 4 ? 11.877 -0.593 28.681 1.00 21.78 ? 4 DT D "C1'" 1 ATOM 2447 N N1 . DT C 3 4 ? 12.963 -1.525 29.023 1.00 19.66 ? 4 DT D N1 1 ATOM 2448 C C2 . DT C 3 4 ? 13.571 -2.224 27.984 1.00 17.28 ? 4 DT D C2 1 ATOM 2449 O O2 . DT C 3 4 ? 13.227 -2.123 26.824 1.00 15.09 ? 4 DT D O2 1 ATOM 2450 N N3 . DT C 3 4 ? 14.617 -3.048 28.370 1.00 17.12 ? 4 DT D N3 1 ATOM 2451 C C4 . DT C 3 4 ? 15.117 -3.230 29.660 1.00 17.98 ? 4 DT D C4 1 ATOM 2452 O O4 . DT C 3 4 ? 16.109 -3.979 29.852 1.00 20.22 ? 4 DT D O4 1 ATOM 2453 C C5 . DT C 3 4 ? 14.409 -2.475 30.707 1.00 18.01 ? 4 DT D C5 1 ATOM 2454 C C7 . DT C 3 4 ? 14.868 -2.604 32.134 1.00 15.81 ? 4 DT D C7 1 ATOM 2455 C C6 . DT C 3 4 ? 13.378 -1.684 30.336 1.00 18.07 ? 4 DT D C6 1 ATOM 2456 P P . DG C 3 5 ? 7.798 0.729 28.326 1.00 32.19 ? 5 DG D P 1 ATOM 2457 O OP1 . DG C 3 5 ? 7.165 2.037 28.075 1.00 33.44 ? 5 DG D OP1 1 ATOM 2458 O OP2 . DG C 3 5 ? 7.286 -0.164 29.447 1.00 31.31 ? 5 DG D OP2 1 ATOM 2459 O "O5'" . DG C 3 5 ? 7.750 -0.108 26.971 1.00 28.78 ? 5 DG D "O5'" 1 ATOM 2460 C "C5'" . DG C 3 5 ? 7.861 0.561 25.765 1.00 26.87 ? 5 DG D "C5'" 1 ATOM 2461 C "C4'" . DG C 3 5 ? 7.490 -0.327 24.603 1.00 24.93 ? 5 DG D "C4'" 1 ATOM 2462 O "O4'" . DG C 3 5 ? 8.604 -0.935 23.931 1.00 22.57 ? 5 DG D "O4'" 1 ATOM 2463 C "C3'" . DG C 3 5 ? 6.380 -1.364 24.669 1.00 24.99 ? 5 DG D "C3'" 1 ATOM 2464 O "O3'" . DG C 3 5 ? 5.624 -1.090 23.487 1.00 27.89 ? 5 DG D "O3'" 1 ATOM 2465 C "C2'" . DG C 3 5 ? 7.147 -2.677 24.532 1.00 22.56 ? 5 DG D "C2'" 1 ATOM 2466 C "C1'" . DG C 3 5 ? 8.297 -2.270 23.594 1.00 20.77 ? 5 DG D "C1'" 1 ATOM 2467 N N9 . DG C 3 5 ? 9.555 -3.009 23.676 1.00 17.33 ? 5 DG D N9 1 ATOM 2468 C C8 . DG C 3 5 ? 10.364 -3.303 22.613 1.00 16.85 ? 5 DG D C8 1 ATOM 2469 N N7 . DG C 3 5 ? 11.451 -3.933 22.946 1.00 17.42 ? 5 DG D N7 1 ATOM 2470 C C5 . DG C 3 5 ? 11.365 -4.075 24.318 1.00 15.26 ? 5 DG D C5 1 ATOM 2471 C C6 . DG C 3 5 ? 12.262 -4.656 25.186 1.00 15.16 ? 5 DG D C6 1 ATOM 2472 O O6 . DG C 3 5 ? 13.319 -5.160 24.890 1.00 16.35 ? 5 DG D O6 1 ATOM 2473 N N1 . DG C 3 5 ? 11.823 -4.607 26.526 1.00 14.61 ? 5 DG D N1 1 ATOM 2474 C C2 . DG C 3 5 ? 10.603 -4.034 26.918 1.00 13.98 ? 5 DG D C2 1 ATOM 2475 N N2 . DG C 3 5 ? 10.288 -4.087 28.206 1.00 13.07 ? 5 DG D N2 1 ATOM 2476 N N3 . DG C 3 5 ? 9.761 -3.464 26.081 1.00 12.45 ? 5 DG D N3 1 ATOM 2477 C C4 . DG C 3 5 ? 10.197 -3.522 24.801 1.00 15.74 ? 5 DG D C4 1 ATOM 2478 P P . DG C 3 6 ? 4.196 -1.771 23.240 1.00 29.57 ? 6 DG D P 1 ATOM 2479 O OP1 . DG C 3 6 ? 3.330 -0.698 22.670 1.00 31.45 ? 6 DG D OP1 1 ATOM 2480 O OP2 . DG C 3 6 ? 3.784 -2.469 24.466 1.00 30.05 ? 6 DG D OP2 1 ATOM 2481 O "O5'" . DG C 3 6 ? 4.488 -2.794 22.069 1.00 28.27 ? 6 DG D "O5'" 1 ATOM 2482 C "C5'" . DG C 3 6 ? 5.769 -3.321 21.970 1.00 34.53 ? 6 DG D "C5'" 1 ATOM 2483 C "C4'" . DG C 3 6 ? 5.985 -4.046 20.670 1.00 36.09 ? 6 DG D "C4'" 1 ATOM 2484 O "O4'" . DG C 3 6 ? 7.271 -4.669 20.861 1.00 33.49 ? 6 DG D "O4'" 1 ATOM 2485 C "C3'" . DG C 3 6 ? 5.027 -5.195 20.406 1.00 38.47 ? 6 DG D "C3'" 1 ATOM 2486 O "O3'" . DG C 3 6 ? 5.078 -5.506 19.019 1.00 45.90 ? 6 DG D "O3'" 1 ATOM 2487 C "C2'" . DG C 3 6 ? 5.610 -6.313 21.244 1.00 36.03 ? 6 DG D "C2'" 1 ATOM 2488 C "C1'" . DG C 3 6 ? 7.115 -6.029 21.188 1.00 31.34 ? 6 DG D "C1'" 1 ATOM 2489 N N9 . DG C 3 6 ? 7.860 -6.272 22.423 1.00 27.74 ? 6 DG D N9 1 ATOM 2490 C C8 . DG C 3 6 ? 7.437 -6.177 23.739 1.00 24.17 ? 6 DG D C8 1 ATOM 2491 N N7 . DG C 3 6 ? 8.355 -6.530 24.593 1.00 21.81 ? 6 DG D N7 1 ATOM 2492 C C5 . DG C 3 6 ? 9.447 -6.865 23.793 1.00 19.90 ? 6 DG D C5 1 ATOM 2493 C C6 . DG C 3 6 ? 10.725 -7.326 24.140 1.00 17.88 ? 6 DG D C6 1 ATOM 2494 O O6 . DG C 3 6 ? 11.175 -7.556 25.264 1.00 15.77 ? 6 DG D O6 1 ATOM 2495 N N1 . DG C 3 6 ? 11.516 -7.532 23.012 1.00 17.47 ? 6 DG D N1 1 ATOM 2496 C C2 . DG C 3 6 ? 11.096 -7.320 21.706 1.00 19.92 ? 6 DG D C2 1 ATOM 2497 N N2 . DG C 3 6 ? 11.937 -7.591 20.715 1.00 21.69 ? 6 DG D N2 1 ATOM 2498 N N3 . DG C 3 6 ? 9.921 -6.881 21.393 1.00 21.98 ? 6 DG D N3 1 ATOM 2499 C C4 . DG C 3 6 ? 9.152 -6.685 22.464 1.00 23.20 ? 6 DG D C4 1 ATOM 2500 P P . DT C 3 7 ? 3.742 -5.956 18.257 1.00 53.10 ? 7 DT D P 1 ATOM 2501 O OP1 . DT C 3 7 ? 3.169 -4.696 17.717 1.00 51.69 ? 7 DT D OP1 1 ATOM 2502 O OP2 . DT C 3 7 ? 2.929 -6.831 19.160 1.00 52.33 ? 7 DT D OP2 1 ATOM 2503 O "O5'" . DT C 3 7 ? 4.266 -6.884 17.078 1.00 55.27 ? 7 DT D "O5'" 1 ATOM 2504 C "C5'" . DT C 3 7 ? 5.119 -7.975 17.387 1.00 60.54 ? 7 DT D "C5'" 1 ATOM 2505 C "C4'" . DT C 3 7 ? 5.553 -8.701 16.137 1.00 63.68 ? 7 DT D "C4'" 1 ATOM 2506 O "O4'" . DT C 3 7 ? 5.866 -7.768 15.068 1.00 65.01 ? 7 DT D "O4'" 1 ATOM 2507 C "C3'" . DT C 3 7 ? 6.822 -9.527 16.388 1.00 65.26 ? 7 DT D "C3'" 1 ATOM 2508 O "O3'" . DT C 3 7 ? 6.648 -10.882 15.958 1.00 64.96 ? 7 DT D "O3'" 1 ATOM 2509 C "C2'" . DT C 3 7 ? 7.923 -8.776 15.650 1.00 65.60 ? 7 DT D "C2'" 1 ATOM 2510 C "C1'" . DT C 3 7 ? 7.164 -8.046 14.545 1.00 65.34 ? 7 DT D "C1'" 1 ATOM 2511 P P . DG C 3 8 ? 6.042 -11.956 16.997 1.00 65.14 ? 8 DG D P 1 ATOM 2512 O OP1 . DG C 3 8 ? 5.908 -13.258 16.277 1.00 66.49 ? 8 DG D OP1 1 ATOM 2513 O OP2 . DG C 3 8 ? 4.856 -11.366 17.691 1.00 65.69 ? 8 DG D OP2 1 ATOM 2514 O "O5'" . DG C 3 8 ? 7.188 -12.127 18.087 1.00 62.30 ? 8 DG D "O5'" 1 ATOM 2515 C "C5'" . DG C 3 8 ? 7.595 -11.035 18.902 1.00 54.44 ? 8 DG D "C5'" 1 ATOM 2516 C "C4'" . DG C 3 8 ? 9.073 -10.784 18.719 1.00 48.19 ? 8 DG D "C4'" 1 ATOM 2517 O "O4'" . DG C 3 8 ? 9.400 -9.725 19.635 1.00 44.03 ? 8 DG D "O4'" 1 ATOM 2518 C "C3'" . DG C 3 8 ? 9.925 -11.984 19.128 1.00 45.77 ? 8 DG D "C3'" 1 ATOM 2519 O "O3'" . DG C 3 8 ? 11.055 -12.224 18.289 1.00 44.48 ? 8 DG D "O3'" 1 ATOM 2520 C "C2'" . DG C 3 8 ? 10.346 -11.709 20.558 1.00 43.17 ? 8 DG D "C2'" 1 ATOM 2521 C "C1'" . DG C 3 8 ? 10.051 -10.235 20.791 1.00 40.72 ? 8 DG D "C1'" 1 ATOM 2522 N N9 . DG C 3 8 ? 9.137 -10.095 21.919 1.00 34.20 ? 8 DG D N9 1 ATOM 2523 C C8 . DG C 3 8 ? 7.793 -9.835 21.912 1.00 32.31 ? 8 DG D C8 1 ATOM 2524 N N7 . DG C 3 8 ? 7.269 -9.840 23.103 1.00 29.22 ? 8 DG D N7 1 ATOM 2525 C C5 . DG C 3 8 ? 8.334 -10.111 23.931 1.00 29.77 ? 8 DG D C5 1 ATOM 2526 C C6 . DG C 3 8 ? 8.397 -10.252 25.334 1.00 28.78 ? 8 DG D C6 1 ATOM 2527 O O6 . DG C 3 8 ? 7.494 -10.181 26.150 1.00 28.98 ? 8 DG D O6 1 ATOM 2528 N N1 . DG C 3 8 ? 9.691 -10.499 25.764 1.00 27.84 ? 8 DG D N1 1 ATOM 2529 C C2 . DG C 3 8 ? 10.789 -10.595 24.933 1.00 30.19 ? 8 DG D C2 1 ATOM 2530 N N2 . DG C 3 8 ? 12.001 -10.794 25.518 1.00 28.22 ? 8 DG D N2 1 ATOM 2531 N N3 . DG C 3 8 ? 10.725 -10.493 23.630 1.00 28.53 ? 8 DG D N3 1 ATOM 2532 C C4 . DG C 3 8 ? 9.490 -10.249 23.206 1.00 30.47 ? 8 DG D C4 1 ATOM 2533 P P . DT C 3 9 ? 11.788 -13.665 18.369 1.00 45.80 ? 9 DT D P 1 ATOM 2534 O OP1 . DT C 3 9 ? 12.687 -13.757 17.176 1.00 44.68 ? 9 DT D OP1 1 ATOM 2535 O OP2 . DT C 3 9 ? 10.769 -14.728 18.617 1.00 43.80 ? 9 DT D OP2 1 ATOM 2536 O "O5'" . DT C 3 9 ? 12.627 -13.625 19.728 1.00 41.50 ? 9 DT D "O5'" 1 ATOM 2537 C "C5'" . DT C 3 9 ? 13.890 -12.989 19.788 1.00 35.78 ? 9 DT D "C5'" 1 ATOM 2538 C "C4'" . DT C 3 9 ? 14.632 -13.467 21.008 1.00 32.37 ? 9 DT D "C4'" 1 ATOM 2539 O "O4'" . DT C 3 9 ? 13.901 -13.035 22.184 1.00 31.13 ? 9 DT D "O4'" 1 ATOM 2540 C "C3'" . DT C 3 9 ? 14.745 -14.996 21.096 1.00 30.18 ? 9 DT D "C3'" 1 ATOM 2541 O "O3'" . DT C 3 9 ? 16.030 -15.406 21.564 1.00 28.74 ? 9 DT D "O3'" 1 ATOM 2542 C "C2'" . DT C 3 9 ? 13.728 -15.364 22.160 1.00 29.90 ? 9 DT D "C2'" 1 ATOM 2543 C "C1'" . DT C 3 9 ? 13.748 -14.145 23.065 1.00 31.19 ? 9 DT D "C1'" 1 ATOM 2544 N N1 . DT C 3 9 ? 12.525 -13.943 23.890 1.00 30.08 ? 9 DT D N1 1 ATOM 2545 C C2 . DT C 3 9 ? 12.681 -13.671 25.254 1.00 30.94 ? 9 DT D C2 1 ATOM 2546 O O2 . DT C 3 9 ? 13.766 -13.474 25.820 1.00 30.04 ? 9 DT D O2 1 ATOM 2547 N N3 . DT C 3 9 ? 11.509 -13.592 25.943 1.00 30.02 ? 9 DT D N3 1 ATOM 2548 C C4 . DT C 3 9 ? 10.230 -13.656 25.442 1.00 31.31 ? 9 DT D C4 1 ATOM 2549 O O4 . DT C 3 9 ? 9.272 -13.520 26.208 1.00 34.13 ? 9 DT D O4 1 ATOM 2550 C C5 . DT C 3 9 ? 10.127 -13.862 24.010 1.00 29.62 ? 9 DT D C5 1 ATOM 2551 C C7 . DT C 3 9 ? 8.775 -13.832 23.379 1.00 26.40 ? 9 DT D C7 1 ATOM 2552 C C6 . DT C 3 9 ? 11.266 -14.035 23.318 1.00 29.60 ? 9 DT D C6 1 ATOM 2553 P P . DG C 3 10 ? 17.153 -15.818 20.520 1.00 27.67 ? 10 DG D P 1 ATOM 2554 O OP1 . DG C 3 10 ? 16.668 -16.953 19.671 1.00 30.12 ? 10 DG D OP1 1 ATOM 2555 O OP2 . DG C 3 10 ? 18.403 -15.950 21.276 1.00 27.68 ? 10 DG D OP2 1 ATOM 2556 O "O5'" . DG C 3 10 ? 17.231 -14.565 19.542 1.00 26.78 ? 10 DG D "O5'" 1 ATOM 2557 C "C5'" . DG C 3 10 ? 18.313 -13.622 19.586 1.00 23.08 ? 10 DG D "C5'" 1 ATOM 2558 C "C4'" . DG C 3 10 ? 18.139 -12.603 18.486 1.00 19.40 ? 10 DG D "C4'" 1 ATOM 2559 O "O4'" . DG C 3 10 ? 16.862 -11.905 18.619 1.00 20.04 ? 10 DG D "O4'" 1 ATOM 2560 C "C3'" . DG C 3 10 ? 19.209 -11.516 18.423 1.00 17.87 ? 10 DG D "C3'" 1 ATOM 2561 O "O3'" . DG C 3 10 ? 19.407 -11.285 17.024 1.00 20.05 ? 10 DG D "O3'" 1 ATOM 2562 C "C2'" . DG C 3 10 ? 18.557 -10.340 19.131 1.00 15.87 ? 10 DG D "C2'" 1 ATOM 2563 C "C1'" . DG C 3 10 ? 17.085 -10.496 18.759 1.00 17.76 ? 10 DG D "C1'" 1 ATOM 2564 N N9 . DG C 3 10 ? 16.149 -9.980 19.755 1.00 16.55 ? 10 DG D N9 1 ATOM 2565 C C8 . DG C 3 10 ? 15.145 -9.073 19.541 1.00 16.26 ? 10 DG D C8 1 ATOM 2566 N N7 . DG C 3 10 ? 14.474 -8.786 20.623 1.00 16.30 ? 10 DG D N7 1 ATOM 2567 C C5 . DG C 3 10 ? 15.059 -9.550 21.612 1.00 14.87 ? 10 DG D C5 1 ATOM 2568 C C6 . DG C 3 10 ? 14.734 -9.666 22.995 1.00 16.35 ? 10 DG D C6 1 ATOM 2569 O O6 . DG C 3 10 ? 13.816 -9.136 23.603 1.00 20.07 ? 10 DG D O6 1 ATOM 2570 N N1 . DG C 3 10 ? 15.601 -10.538 23.668 1.00 16.89 ? 10 DG D N1 1 ATOM 2571 C C2 . DG C 3 10 ? 16.615 -11.232 23.054 1.00 18.29 ? 10 DG D C2 1 ATOM 2572 N N2 . DG C 3 10 ? 17.310 -12.044 23.823 1.00 21.35 ? 10 DG D N2 1 ATOM 2573 N N3 . DG C 3 10 ? 16.914 -11.138 21.748 1.00 17.13 ? 10 DG D N3 1 ATOM 2574 C C4 . DG C 3 10 ? 16.101 -10.289 21.102 1.00 15.03 ? 10 DG D C4 1 ATOM 2575 P P . DG C 3 11 ? 20.423 -10.172 16.493 1.00 20.48 ? 11 DG D P 1 ATOM 2576 O OP1 . DG C 3 11 ? 20.554 -10.377 15.046 1.00 21.79 ? 11 DG D OP1 1 ATOM 2577 O OP2 . DG C 3 11 ? 21.648 -10.160 17.339 1.00 20.37 ? 11 DG D OP2 1 ATOM 2578 O "O5'" . DG C 3 11 ? 19.606 -8.828 16.695 1.00 19.48 ? 11 DG D "O5'" 1 ATOM 2579 C "C5'" . DG C 3 11 ? 18.497 -8.531 15.873 1.00 19.36 ? 11 DG D "C5'" 1 ATOM 2580 C "C4'" . DG C 3 11 ? 17.897 -7.196 16.251 1.00 20.75 ? 11 DG D "C4'" 1 ATOM 2581 O "O4'" . DG C 3 11 ? 17.261 -7.270 17.556 1.00 20.01 ? 11 DG D "O4'" 1 ATOM 2582 C "C3'" . DG C 3 11 ? 18.882 -6.015 16.307 1.00 20.96 ? 11 DG D "C3'" 1 ATOM 2583 O "O3'" . DG C 3 11 ? 18.294 -4.868 15.686 1.00 20.83 ? 11 DG D "O3'" 1 ATOM 2584 C "C2'" . DG C 3 11 ? 19.036 -5.764 17.802 1.00 19.86 ? 11 DG D "C2'" 1 ATOM 2585 C "C1'" . DG C 3 11 ? 17.637 -6.127 18.315 1.00 20.18 ? 11 DG D "C1'" 1 ATOM 2586 N N9 . DG C 3 11 ? 17.526 -6.459 19.738 1.00 19.60 ? 11 DG D N9 1 ATOM 2587 C C8 . DG C 3 11 ? 18.425 -7.206 20.482 1.00 17.50 ? 11 DG D C8 1 ATOM 2588 N N7 . DG C 3 11 ? 18.040 -7.384 21.715 1.00 18.22 ? 11 DG D N7 1 ATOM 2589 C C5 . DG C 3 11 ? 16.822 -6.715 21.803 1.00 17.99 ? 11 DG D C5 1 ATOM 2590 C C6 . DG C 3 11 ? 15.923 -6.606 22.892 1.00 17.71 ? 11 DG D C6 1 ATOM 2591 O O6 . DG C 3 11 ? 16.033 -7.081 24.005 1.00 15.67 ? 11 DG D O6 1 ATOM 2592 N N1 . DG C 3 11 ? 14.795 -5.850 22.558 1.00 17.38 ? 11 DG D N1 1 ATOM 2593 C C2 . DG C 3 11 ? 14.587 -5.251 21.328 1.00 18.12 ? 11 DG D C2 1 ATOM 2594 N N2 . DG C 3 11 ? 13.461 -4.487 21.213 1.00 18.34 ? 11 DG D N2 1 ATOM 2595 N N3 . DG C 3 11 ? 15.420 -5.365 20.297 1.00 16.99 ? 11 DG D N3 1 ATOM 2596 C C4 . DG C 3 11 ? 16.502 -6.112 20.600 1.00 18.16 ? 11 DG D C4 1 ATOM 2597 P P . DT C 3 12 ? 19.225 -3.813 14.886 1.00 21.71 ? 12 DT D P 1 ATOM 2598 O OP1 . DT C 3 12 ? 18.323 -2.681 14.604 1.00 24.83 ? 12 DT D OP1 1 ATOM 2599 O OP2 . DT C 3 12 ? 19.948 -4.457 13.776 1.00 22.50 ? 12 DT D OP2 1 ATOM 2600 O "O5'" . DT C 3 12 ? 20.288 -3.314 15.960 1.00 22.45 ? 12 DT D "O5'" 1 ATOM 2601 C "C5'" . DT C 3 12 ? 21.568 -2.819 15.540 1.00 19.83 ? 12 DT D "C5'" 1 ATOM 2602 C "C4'" . DT C 3 12 ? 22.219 -2.015 16.641 1.00 19.97 ? 12 DT D "C4'" 1 ATOM 2603 O "O4'" . DT C 3 12 ? 21.485 -0.760 16.753 1.00 22.38 ? 12 DT D "O4'" 1 ATOM 2604 C "C3'" . DT C 3 12 ? 22.149 -2.665 18.026 1.00 18.76 ? 12 DT D "C3'" 1 ATOM 2605 O "O3'" . DT C 3 12 ? 23.357 -3.305 18.417 1.00 20.44 ? 12 DT D "O3'" 1 ATOM 2606 C "C2'" . DT C 3 12 ? 21.874 -1.508 18.974 1.00 20.17 ? 12 DT D "C2'" 1 ATOM 2607 C "C1'" . DT C 3 12 ? 21.424 -0.326 18.106 1.00 20.91 ? 12 DT D "C1'" 1 ATOM 2608 N N1 . DT C 3 12 ? 20.015 -0.026 18.453 1.00 22.20 ? 12 DT D N1 1 ATOM 2609 C C2 . DT C 3 12 ? 19.766 0.985 19.398 1.00 23.72 ? 12 DT D C2 1 ATOM 2610 O O2 . DT C 3 12 ? 20.614 1.745 19.835 1.00 23.45 ? 12 DT D O2 1 ATOM 2611 N N3 . DT C 3 12 ? 18.456 1.083 19.803 1.00 24.72 ? 12 DT D N3 1 ATOM 2612 C C4 . DT C 3 12 ? 17.392 0.342 19.364 1.00 23.27 ? 12 DT D C4 1 ATOM 2613 O O4 . DT C 3 12 ? 16.283 0.562 19.843 1.00 23.70 ? 12 DT D O4 1 ATOM 2614 C C5 . DT C 3 12 ? 17.705 -0.661 18.335 1.00 22.61 ? 12 DT D C5 1 ATOM 2615 C C7 . DT C 3 12 ? 16.600 -1.510 17.791 1.00 23.76 ? 12 DT D C7 1 ATOM 2616 C C6 . DT C 3 12 ? 18.978 -0.777 17.928 1.00 21.47 ? 12 DT D C6 1 ATOM 2617 P P . DT C 3 13 ? 23.342 -4.857 18.863 1.00 19.00 ? 13 DT D P 1 ATOM 2618 O OP1 . DT C 3 13 ? 24.690 -5.355 18.708 1.00 19.06 ? 13 DT D OP1 1 ATOM 2619 O OP2 . DT C 3 13 ? 22.242 -5.546 18.197 1.00 22.34 ? 13 DT D OP2 1 ATOM 2620 O "O5'" . DT C 3 13 ? 22.992 -4.887 20.425 1.00 16.12 ? 13 DT D "O5'" 1 ATOM 2621 C "C5'" . DT C 3 13 ? 23.909 -4.390 21.385 1.00 15.29 ? 13 DT D "C5'" 1 ATOM 2622 C "C4'" . DT C 3 13 ? 23.686 -5.049 22.726 1.00 17.15 ? 13 DT D "C4'" 1 ATOM 2623 O "O4'" . DT C 3 13 ? 22.501 -4.583 23.412 1.00 18.68 ? 13 DT D "O4'" 1 ATOM 2624 C "C3'" . DT C 3 13 ? 23.581 -6.576 22.715 1.00 17.46 ? 13 DT D "C3'" 1 ATOM 2625 O "O3'" . DT C 3 13 ? 24.276 -7.012 23.904 1.00 18.80 ? 13 DT D "O3'" 1 ATOM 2626 C "C2'" . DT C 3 13 ? 22.077 -6.809 22.767 1.00 16.27 ? 13 DT D "C2'" 1 ATOM 2627 C "C1'" . DT C 3 13 ? 21.606 -5.667 23.646 1.00 16.18 ? 13 DT D "C1'" 1 ATOM 2628 N N1 . DT C 3 13 ? 20.234 -5.147 23.434 1.00 15.91 ? 13 DT D N1 1 ATOM 2629 C C2 . DT C 3 13 ? 19.347 -5.224 24.488 1.00 14.75 ? 13 DT D C2 1 ATOM 2630 O O2 . DT C 3 13 ? 19.576 -5.802 25.534 1.00 12.98 ? 13 DT D O2 1 ATOM 2631 N N3 . DT C 3 13 ? 18.168 -4.574 24.273 1.00 17.44 ? 13 DT D N3 1 ATOM 2632 C C4 . DT C 3 13 ? 17.793 -3.876 23.144 1.00 15.06 ? 13 DT D C4 1 ATOM 2633 O O4 . DT C 3 13 ? 16.772 -3.296 23.136 1.00 14.60 ? 13 DT D O4 1 ATOM 2634 C C5 . DT C 3 13 ? 18.722 -3.899 22.059 1.00 14.94 ? 13 DT D C5 1 ATOM 2635 C C7 . DT C 3 13 ? 18.356 -3.202 20.782 1.00 13.88 ? 13 DT D C7 1 ATOM 2636 C C6 . DT C 3 13 ? 19.883 -4.540 22.249 1.00 13.79 ? 13 DT D C6 1 ATOM 2637 P P . DG C 3 14 ? 24.624 -8.560 24.121 1.00 19.69 ? 14 DG D P 1 ATOM 2638 O OP1 . DG C 3 14 ? 25.992 -8.586 24.609 1.00 18.70 ? 14 DG D OP1 1 ATOM 2639 O OP2 . DG C 3 14 ? 24.234 -9.319 22.879 1.00 20.69 ? 14 DG D OP2 1 ATOM 2640 O "O5'" . DG C 3 14 ? 23.657 -8.917 25.339 1.00 20.41 ? 14 DG D "O5'" 1 ATOM 2641 C "C5'" . DG C 3 14 ? 23.275 -10.214 25.647 1.00 18.10 ? 14 DG D "C5'" 1 ATOM 2642 C "C4'" . DG C 3 14 ? 23.322 -10.402 27.148 1.00 16.93 ? 14 DG D "C4'" 1 ATOM 2643 O "O4'" . DG C 3 14 ? 22.401 -9.575 27.921 1.00 14.51 ? 14 DG D "O4'" 1 ATOM 2644 C "C3'" . DG C 3 14 ? 22.977 -11.828 27.511 1.00 14.72 ? 14 DG D "C3'" 1 ATOM 2645 O "O3'" . DG C 3 14 ? 23.760 -12.123 28.649 1.00 15.43 ? 14 DG D "O3'" 1 ATOM 2646 C "C2'" . DG C 3 14 ? 21.486 -11.749 27.805 1.00 14.49 ? 14 DG D "C2'" 1 ATOM 2647 C "C1'" . DG C 3 14 ? 21.402 -10.404 28.501 1.00 13.05 ? 14 DG D "C1'" 1 ATOM 2648 N N9 . DG C 3 14 ? 20.129 -9.707 28.442 1.00 13.60 ? 14 DG D N9 1 ATOM 2649 C C8 . DG C 3 14 ? 19.398 -9.309 29.545 1.00 14.29 ? 14 DG D C8 1 ATOM 2650 N N7 . DG C 3 14 ? 18.309 -8.656 29.234 1.00 14.12 ? 14 DG D N7 1 ATOM 2651 C C5 . DG C 3 14 ? 18.321 -8.608 27.838 1.00 12.97 ? 14 DG D C5 1 ATOM 2652 C C6 . DG C 3 14 ? 17.395 -8.014 26.936 1.00 12.51 ? 14 DG D C6 1 ATOM 2653 O O6 . DG C 3 14 ? 16.452 -7.303 27.195 1.00 9.97 ? 14 DG D O6 1 ATOM 2654 N N1 . DG C 3 14 ? 17.721 -8.279 25.607 1.00 12.13 ? 14 DG D N1 1 ATOM 2655 C C2 . DG C 3 14 ? 18.873 -8.932 25.195 1.00 13.07 ? 14 DG D C2 1 ATOM 2656 N N2 . DG C 3 14 ? 19.068 -9.012 23.839 1.00 13.37 ? 14 DG D N2 1 ATOM 2657 N N3 . DG C 3 14 ? 19.773 -9.446 26.034 1.00 11.76 ? 14 DG D N3 1 ATOM 2658 C C4 . DG C 3 14 ? 19.425 -9.271 27.329 1.00 11.81 ? 14 DG D C4 1 ATOM 2659 P P . DG C 3 15 ? 23.760 -13.596 29.232 1.00 17.70 ? 15 DG D P 1 ATOM 2660 O OP1 . DG C 3 15 ? 24.881 -13.613 30.234 1.00 20.00 ? 15 DG D OP1 1 ATOM 2661 O OP2 . DG C 3 15 ? 23.751 -14.500 28.085 1.00 16.47 ? 15 DG D OP2 1 ATOM 2662 O "O5'" . DG C 3 15 ? 22.373 -13.764 29.980 1.00 18.18 ? 15 DG D "O5'" 1 ATOM 2663 C "C5'" . DG C 3 15 ? 22.102 -13.087 31.206 1.00 17.02 ? 15 DG D "C5'" 1 ATOM 2664 C "C4'" . DG C 3 15 ? 20.635 -13.225 31.543 1.00 18.82 ? 15 DG D "C4'" 1 ATOM 2665 O "O4'" . DG C 3 15 ? 19.834 -12.420 30.642 1.00 15.12 ? 15 DG D "O4'" 1 ATOM 2666 C "C3'" . DG C 3 15 ? 20.057 -14.667 31.462 1.00 16.78 ? 15 DG D "C3'" 1 ATOM 2667 O "O3'" . DG C 3 15 ? 19.411 -15.002 32.688 1.00 19.98 ? 15 DG D "O3'" 1 ATOM 2668 C "C2'" . DG C 3 15 ? 19.032 -14.588 30.340 1.00 16.51 ? 15 DG D "C2'" 1 ATOM 2669 C "C1'" . DG C 3 15 ? 18.626 -13.121 30.413 1.00 16.87 ? 15 DG D "C1'" 1 ATOM 2670 N N9 . DG C 3 15 ? 17.928 -12.555 29.250 1.00 14.71 ? 15 DG D N9 1 ATOM 2671 C C8 . DG C 3 15 ? 18.193 -12.780 27.915 1.00 16.23 ? 15 DG D C8 1 ATOM 2672 N N7 . DG C 3 15 ? 17.374 -12.146 27.106 1.00 14.13 ? 15 DG D N7 1 ATOM 2673 C C5 . DG C 3 15 ? 16.522 -11.456 27.954 1.00 15.54 ? 15 DG D C5 1 ATOM 2674 C C6 . DG C 3 15 ? 15.383 -10.654 27.655 1.00 14.40 ? 15 DG D C6 1 ATOM 2675 O O6 . DG C 3 15 ? 14.941 -10.330 26.544 1.00 15.69 ? 15 DG D O6 1 ATOM 2676 N N1 . DG C 3 15 ? 14.745 -10.233 28.809 1.00 13.86 ? 15 DG D N1 1 ATOM 2677 C C2 . DG C 3 15 ? 15.167 -10.521 30.092 1.00 12.56 ? 15 DG D C2 1 ATOM 2678 N N2 . DG C 3 15 ? 14.450 -10.017 31.058 1.00 13.25 ? 15 DG D N2 1 ATOM 2679 N N3 . DG C 3 15 ? 16.224 -11.246 30.384 1.00 12.57 ? 15 DG D N3 1 ATOM 2680 C C4 . DG C 3 15 ? 16.846 -11.694 29.283 1.00 14.14 ? 15 DG D C4 1 HETATM 2681 N N . 0G6 D 4 . ? 11.764 31.430 24.103 1.00 18.65 ? 1 0G6 H N 1 HETATM 2682 C CA . 0G6 D 4 . ? 12.511 32.019 25.190 1.00 18.13 ? 1 0G6 H CA 1 HETATM 2683 C C . 0G6 D 4 . ? 13.688 30.950 25.031 1.00 17.97 ? 1 0G6 H C 1 HETATM 2684 O O . 0G6 D 4 . ? 14.355 30.423 24.141 1.00 15.94 ? 1 0G6 H O 1 HETATM 2685 C CB . 0G6 D 4 . ? 13.165 33.327 24.721 1.00 20.87 ? 1 0G6 H CB 1 HETATM 2686 C CG . 0G6 D 4 . ? 14.079 33.953 25.753 1.00 18.79 ? 1 0G6 H CG 1 HETATM 2687 C CD1 . 0G6 D 4 . ? 15.416 34.094 25.460 1.00 17.00 ? 1 0G6 H CD1 1 HETATM 2688 C CD2 . 0G6 D 4 . ? 13.563 34.397 26.958 1.00 17.40 ? 1 0G6 H CD2 1 HETATM 2689 C CE1 . 0G6 D 4 . ? 16.254 34.702 26.376 1.00 17.90 ? 1 0G6 H CE1 1 HETATM 2690 C CE2 . 0G6 D 4 . ? 14.409 35.001 27.875 1.00 17.53 ? 1 0G6 H CE2 1 HETATM 2691 C CZ . 0G6 D 4 . ? 15.758 35.159 27.584 1.00 15.86 ? 1 0G6 H CZ 1 HETATM 2692 N N1 . 0G6 D 4 . ? 13.895 30.536 26.281 1.00 18.33 ? 1 0G6 H N1 1 HETATM 2693 C CA1 . 0G6 D 4 . ? 14.933 29.551 26.643 1.00 16.72 ? 1 0G6 H CA1 1 HETATM 2694 C C1 . 0G6 D 4 . ? 14.540 28.149 26.166 1.00 16.88 ? 1 0G6 H C1 1 HETATM 2695 O O1 . 0G6 D 4 . ? 13.383 27.741 26.272 1.00 14.71 ? 1 0G6 H O1 1 HETATM 2696 C CB1 . 0G6 D 4 . ? 14.971 29.558 28.174 1.00 19.11 ? 1 0G6 H CB1 1 HETATM 2697 C CG1 . 0G6 D 4 . ? 14.240 30.848 28.552 1.00 18.11 ? 1 0G6 H CG1 1 HETATM 2698 C CD . 0G6 D 4 . ? 13.145 30.919 27.487 1.00 17.46 ? 1 0G6 H CD 1 HETATM 2699 N N2 . 0G6 D 4 . ? 15.519 27.447 25.601 1.00 17.17 ? 1 0G6 H N2 1 HETATM 2700 C CA2 . 0G6 D 4 . ? 15.313 26.089 25.075 1.00 14.30 ? 1 0G6 H CA2 1 HETATM 2701 C C2 . 0G6 D 4 . ? 15.929 24.973 25.930 1.00 18.26 ? 1 0G6 H C2 1 HETATM 2702 O O2 . 0G6 D 4 . ? 15.484 23.855 25.677 1.00 17.75 ? 1 0G6 H O2 1 HETATM 2703 C CB2 . 0G6 D 4 . ? 15.739 26.005 23.607 1.00 15.82 ? 1 0G6 H CB2 1 HETATM 2704 C CG2 . 0G6 D 4 . ? 14.773 26.755 22.683 1.00 14.29 ? 1 0G6 H CG2 1 HETATM 2705 C CD3 . 0G6 D 4 . ? 15.312 26.852 21.252 1.00 11.66 ? 1 0G6 H CD3 1 HETATM 2706 N NE . 0G6 D 4 . ? 14.266 27.393 20.371 1.00 12.76 ? 1 0G6 H NE 1 HETATM 2707 C CZ1 . 0G6 D 4 . ? 14.408 27.532 19.054 1.00 11.73 ? 1 0G6 H CZ1 1 HETATM 2708 N NH1 . 0G6 D 4 . ? 15.542 27.207 18.447 1.00 9.53 ? 1 0G6 H NH1 1 HETATM 2709 N NH2 . 0G6 D 4 . ? 13.368 27.902 18.306 1.00 10.40 ? 1 0G6 H NH2 1 HETATM 2710 C C3 . 0G6 D 4 . ? 16.160 25.303 27.269 1.00 14.61 ? 1 0G6 H C3 1 HETATM 2711 C C1 . NAG E 5 . ? 21.009 27.125 43.588 1.00 40.14 ? 248 NAG H C1 1 HETATM 2712 C C2 . NAG E 5 . ? 21.354 28.519 44.036 1.00 42.25 ? 248 NAG H C2 1 HETATM 2713 C C3 . NAG E 5 . ? 22.570 28.506 44.936 1.00 44.08 ? 248 NAG H C3 1 HETATM 2714 C C4 . NAG E 5 . ? 22.266 27.637 46.122 1.00 44.33 ? 248 NAG H C4 1 HETATM 2715 C C5 . NAG E 5 . ? 21.949 26.247 45.625 1.00 44.95 ? 248 NAG H C5 1 HETATM 2716 C C6 . NAG E 5 . ? 21.609 25.347 46.795 1.00 45.06 ? 248 NAG H C6 1 HETATM 2717 C C7 . NAG E 5 . ? 20.821 30.411 42.666 1.00 43.65 ? 248 NAG H C7 1 HETATM 2718 C C8 . NAG E 5 . ? 19.319 30.318 42.974 1.00 43.52 ? 248 NAG H C8 1 HETATM 2719 N N2 . NAG E 5 . ? 21.597 29.352 42.884 1.00 42.52 ? 248 NAG H N2 1 HETATM 2720 O O3 . NAG E 5 . ? 22.857 29.831 45.372 1.00 46.94 ? 248 NAG H O3 1 HETATM 2721 O O4 . NAG E 5 . ? 23.376 27.605 47.004 1.00 46.90 ? 248 NAG H O4 1 HETATM 2722 O O5 . NAG E 5 . ? 20.791 26.289 44.734 1.00 43.31 ? 248 NAG H O5 1 HETATM 2723 O O6 . NAG E 5 . ? 20.758 24.286 46.390 1.00 48.40 ? 248 NAG H O6 1 HETATM 2724 O O7 . NAG E 5 . ? 21.269 31.444 42.201 1.00 44.09 ? 248 NAG H O7 1 HETATM 2725 NA NA . NA F 6 . ? 12.365 30.372 10.908 1.00 20.02 ? 601 NA H NA 1 HETATM 2726 K K . K G 7 . ? 13.959 -7.769 25.920 1.00 23.77 ? 602 K D K 1 HETATM 2727 O O . HOH H 8 . ? 15.023 35.269 15.554 1.00 12.92 ? 1018 HOH H O 1 HETATM 2728 O O . HOH H 8 . ? 11.171 28.837 25.139 1.00 21.02 ? 1019 HOH H O 1 HETATM 2729 O O . HOH H 8 . ? 41.373 11.329 10.004 1.00 27.75 ? 1020 HOH H O 1 HETATM 2730 O O . HOH H 8 . ? 25.785 32.322 24.788 1.00 11.82 ? 1021 HOH H O 1 HETATM 2731 O O . HOH H 8 . ? 24.082 17.561 15.788 1.00 13.69 ? 1023 HOH H O 1 HETATM 2732 O O . HOH H 8 . ? 28.862 5.644 15.156 1.00 9.36 ? 1024 HOH H O 1 HETATM 2733 O O . HOH H 8 . ? 10.302 4.790 15.231 1.00 41.52 ? 1025 HOH H O 1 HETATM 2734 O O . HOH H 8 . ? 22.408 -0.549 29.755 1.00 24.64 ? 1026 HOH H O 1 HETATM 2735 O O . HOH H 8 . ? 38.156 18.336 21.201 1.00 8.05 ? 1027 HOH H O 1 HETATM 2736 O O . HOH H 8 . ? 13.977 32.257 17.255 1.00 18.48 ? 1028 HOH H O 1 HETATM 2737 O O . HOH H 8 . ? 18.183 21.495 5.657 1.00 14.20 ? 1029 HOH H O 1 HETATM 2738 O O . HOH H 8 . ? 39.961 19.450 35.542 1.00 5.04 ? 1031 HOH H O 1 HETATM 2739 O O . HOH H 8 . ? 22.851 32.234 24.531 1.00 13.38 ? 1032 HOH H O 1 HETATM 2740 O O . HOH H 8 . ? 11.628 39.725 19.718 1.00 11.74 ? 1034 HOH H O 1 HETATM 2741 O O . HOH H 8 . ? 26.487 20.860 24.152 1.00 9.11 ? 1038 HOH H O 1 HETATM 2742 O O . HOH H 8 . ? 25.404 15.240 15.446 1.00 11.72 ? 1039 HOH H O 1 HETATM 2743 O O . HOH H 8 . ? 23.620 10.739 41.317 1.00 41.29 ? 1040 HOH H O 1 HETATM 2744 O O . HOH H 8 . ? 14.855 30.211 10.396 1.00 10.22 ? 1042 HOH H O 1 HETATM 2745 O O . HOH H 8 . ? 27.396 1.353 24.220 1.00 14.17 ? 1043 HOH H O 1 HETATM 2746 O O . HOH H 8 . ? 2.429 27.830 16.405 1.00 24.27 ? 1044 HOH H O 1 HETATM 2747 O O . HOH H 8 . ? 13.288 16.331 18.476 1.00 7.03 ? 1045 HOH H O 1 HETATM 2748 O O . HOH H 8 . ? 17.345 16.626 23.409 1.00 16.63 ? 1046 HOH H O 1 HETATM 2749 O O . HOH H 8 . ? 10.688 30.366 15.815 1.00 9.04 ? 1047 HOH H O 1 HETATM 2750 O O . HOH H 8 . ? 31.776 26.934 36.860 1.00 24.50 ? 1048 HOH H O 1 HETATM 2751 O O . HOH H 8 . ? 19.206 18.335 21.956 1.00 13.72 ? 1049 HOH H O 1 HETATM 2752 O O . HOH H 8 . ? 31.936 28.123 17.923 1.00 10.70 ? 1050 HOH H O 1 HETATM 2753 O O . HOH H 8 . ? 12.661 32.030 8.359 1.00 25.29 ? 1053 HOH H O 1 HETATM 2754 O O . HOH H 8 . ? 17.700 40.867 26.264 1.00 31.34 ? 1054 HOH H O 1 HETATM 2755 O O . HOH H 8 . ? 22.126 31.999 5.574 1.00 15.49 ? 1055 HOH H O 1 HETATM 2756 O O . HOH H 8 . ? 25.410 9.188 22.508 1.00 20.88 ? 1056 HOH H O 1 HETATM 2757 O O . HOH H 8 . ? 13.583 35.888 3.158 1.00 29.98 ? 1057 HOH H O 1 HETATM 2758 O O . HOH H 8 . ? 9.331 3.173 25.683 1.00 24.02 ? 1061 HOH H O 1 HETATM 2759 O O . HOH H 8 . ? 25.293 34.176 13.348 1.00 19.85 ? 1063 HOH H O 1 HETATM 2760 O O . HOH H 8 . ? 35.600 22.309 42.110 1.00 15.21 ? 1064 HOH H O 1 HETATM 2761 O O . HOH H 8 . ? 30.995 2.832 30.393 1.00 24.86 ? 1066 HOH H O 1 HETATM 2762 O O . HOH H 8 . ? 14.484 20.928 6.728 1.00 37.14 ? 1068 HOH H O 1 HETATM 2763 O O . HOH H 8 . ? 12.302 10.774 9.556 1.00 24.64 ? 1069 HOH H O 1 HETATM 2764 O O . HOH H 8 . ? 22.341 -6.845 29.894 1.00 14.04 ? 1070 HOH H O 1 HETATM 2765 O O . HOH H 8 . ? 7.268 23.681 21.971 1.00 16.49 ? 1071 HOH H O 1 HETATM 2766 O O . HOH H 8 . ? 15.699 3.149 18.636 1.00 26.32 ? 1073 HOH H O 1 HETATM 2767 O O . HOH H 8 . ? 13.050 7.119 29.725 1.00 20.95 ? 1075 HOH H O 1 HETATM 2768 O O . HOH H 8 . ? 14.564 37.435 8.264 1.00 19.41 ? 1076 HOH H O 1 HETATM 2769 O O . HOH H 8 . ? 11.895 34.392 31.306 1.00 47.41 ? 1077 HOH H O 1 HETATM 2770 O O . HOH H 8 . ? 19.847 24.959 0.802 1.00 18.69 ? 1078 HOH H O 1 HETATM 2771 O O . HOH H 8 . ? 14.462 27.382 8.795 1.00 11.63 ? 1079 HOH H O 1 HETATM 2772 O O . HOH H 8 . ? 18.444 27.235 18.729 1.00 13.58 ? 1080 HOH H O 1 HETATM 2773 O O . HOH H 8 . ? 36.576 15.941 22.141 1.00 23.11 ? 1081 HOH H O 1 HETATM 2774 O O . HOH H 8 . ? 8.952 26.056 36.758 1.00 35.07 ? 1082 HOH H O 1 HETATM 2775 O O . HOH H 8 . ? 22.944 9.092 17.073 1.00 27.67 ? 1083 HOH H O 1 HETATM 2776 O O . HOH H 8 . ? 24.100 12.426 39.627 1.00 15.29 ? 1084 HOH H O 1 HETATM 2777 O O . HOH H 8 . ? 12.089 28.676 9.458 1.00 12.77 ? 1085 HOH H O 1 HETATM 2778 O O . HOH H 8 . ? 6.738 24.842 11.204 1.00 34.48 ? 1086 HOH H O 1 HETATM 2779 O O . HOH H 8 . ? 33.391 1.665 18.245 1.00 21.60 ? 1089 HOH H O 1 HETATM 2780 O O . HOH H 8 . ? 25.897 14.009 13.147 1.00 25.65 ? 1090 HOH H O 1 HETATM 2781 O O . HOH H 8 . ? 4.113 13.402 21.896 1.00 33.57 ? 1092 HOH H O 1 HETATM 2782 O O . HOH H 8 . ? 18.898 41.956 18.708 1.00 23.91 ? 1094 HOH H O 1 HETATM 2783 O O . HOH H 8 . ? -0.020 21.260 20.417 1.00 26.67 ? 1095 HOH H O 1 HETATM 2784 O O . HOH H 8 . ? 16.090 21.753 32.481 1.00 14.08 ? 1096 HOH H O 1 HETATM 2785 O O . HOH H 8 . ? 11.822 28.836 21.349 1.00 16.30 ? 1097 HOH H O 1 HETATM 2786 O O . HOH H 8 . ? 23.248 8.799 20.410 1.00 25.70 ? 1098 HOH H O 1 HETATM 2787 O O . HOH H 8 . ? 18.191 18.133 7.315 1.00 27.65 ? 1099 HOH H O 1 HETATM 2788 O O . HOH H 8 . ? 29.394 29.195 38.099 1.00 21.76 ? 1101 HOH H O 1 HETATM 2789 O O . HOH H 8 . ? 17.801 27.052 14.278 1.00 10.42 ? 1102 HOH H O 1 HETATM 2790 O O . HOH H 8 . ? 33.817 4.621 19.812 1.00 13.11 ? 1103 HOH H O 1 HETATM 2791 O O . HOH H 8 . ? 8.220 27.761 20.981 1.00 16.31 ? 1104 HOH H O 1 HETATM 2792 O O . HOH H 8 . ? 10.737 9.646 15.583 1.00 23.63 ? 1105 HOH H O 1 HETATM 2793 O O . HOH H 8 . ? 10.038 21.154 5.174 1.00 62.36 ? 1106 HOH H O 1 HETATM 2794 O O . HOH H 8 . ? 29.704 6.802 33.847 1.00 29.23 ? 1107 HOH H O 1 HETATM 2795 O O . HOH H 8 . ? 13.908 38.557 10.508 1.00 21.14 ? 1108 HOH H O 1 HETATM 2796 O O . HOH H 8 . ? 16.233 44.423 17.143 1.00 32.94 ? 1109 HOH H O 1 HETATM 2797 O O . HOH H 8 . ? 11.986 29.377 4.840 1.00 22.77 ? 1110 HOH H O 1 HETATM 2798 O O . HOH H 8 . ? 14.761 34.879 18.476 1.00 19.51 ? 1111 HOH H O 1 HETATM 2799 O O . HOH H 8 . ? 22.311 9.591 24.271 1.00 11.81 ? 1112 HOH H O 1 HETATM 2800 O O . HOH H 8 . ? 3.923 17.695 24.849 1.00 22.15 ? 1113 HOH H O 1 HETATM 2801 O O . HOH H 8 . ? 14.948 27.975 42.325 1.00 39.69 ? 1114 HOH H O 1 HETATM 2802 O O . HOH H 8 . ? 21.005 7.770 17.909 1.00 27.08 ? 1115 HOH H O 1 HETATM 2803 O O . HOH H 8 . ? 42.521 27.652 18.747 1.00 27.68 ? 1116 HOH H O 1 HETATM 2804 O O . HOH H 8 . ? 44.879 18.740 33.804 1.00 25.18 ? 1117 HOH H O 1 HETATM 2805 O O . HOH H 8 . ? 28.813 39.568 25.913 1.00 25.47 ? 1118 HOH H O 1 HETATM 2806 O O . HOH H 8 . ? 24.744 6.941 19.403 1.00 16.92 ? 1119 HOH H O 1 HETATM 2807 O O . HOH H 8 . ? 39.557 21.562 10.508 1.00 20.06 ? 1120 HOH H O 1 HETATM 2808 O O . HOH H 8 . ? 26.501 40.207 18.626 1.00 20.69 ? 1121 HOH H O 1 HETATM 2809 O O . HOH H 8 . ? 5.870 31.262 10.425 1.00 19.07 ? 1122 HOH H O 1 HETATM 2810 O O . HOH H 8 . ? 28.595 41.319 22.290 1.00 26.71 ? 1123 HOH H O 1 HETATM 2811 O O . HOH H 8 . ? 39.886 11.642 5.456 1.00 50.44 ? 1124 HOH H O 1 HETATM 2812 O O . HOH H 8 . ? 40.114 21.194 18.516 1.00 35.16 ? 1125 HOH H O 1 HETATM 2813 O O . HOH H 8 . ? 15.215 27.917 12.350 1.00 15.72 ? 1127 HOH H O 1 HETATM 2814 O O . HOH H 8 . ? 37.483 31.758 24.713 1.00 25.59 ? 1128 HOH H O 1 HETATM 2815 O O . HOH H 8 . ? 9.132 15.625 35.574 1.00 58.29 ? 1129 HOH H O 1 HETATM 2816 O O . HOH H 8 . ? 34.795 33.430 29.178 1.00 22.37 ? 1130 HOH H O 1 HETATM 2817 O O . HOH H 8 . ? 11.120 20.720 34.686 1.00 45.71 ? 1131 HOH H O 1 HETATM 2818 O O . HOH H 8 . ? 16.835 15.643 7.425 1.00 48.21 ? 1133 HOH H O 1 HETATM 2819 O O . HOH H 8 . ? 21.050 -2.805 32.110 1.00 33.85 ? 1134 HOH H O 1 HETATM 2820 O O . HOH H 8 . ? 11.618 15.669 24.993 1.00 32.27 ? 1137 HOH H O 1 HETATM 2821 O O . HOH H 8 . ? 31.823 34.620 10.703 1.00 44.50 ? 1138 HOH H O 1 HETATM 2822 O O . HOH H 8 . ? 19.447 31.365 5.785 1.00 16.86 ? 1140 HOH H O 1 HETATM 2823 O O . HOH H 8 . ? 35.672 34.805 18.100 1.00 49.33 ? 1141 HOH H O 1 HETATM 2824 O O . HOH H 8 . ? 43.475 24.558 33.378 1.00 21.53 ? 1142 HOH H O 1 HETATM 2825 O O . HOH H 8 . ? 42.009 23.699 24.088 1.00 28.83 ? 1143 HOH H O 1 HETATM 2826 O O . HOH H 8 . ? 22.651 5.640 18.027 1.00 20.44 ? 1146 HOH H O 1 HETATM 2827 O O . HOH H 8 . ? 31.906 34.146 14.667 1.00 26.49 ? 1147 HOH H O 1 HETATM 2828 O O . HOH H 8 . ? 39.260 13.077 36.340 1.00 30.15 ? 1148 HOH H O 1 HETATM 2829 O O . HOH H 8 . ? 26.139 43.242 23.047 1.00 34.11 ? 1149 HOH H O 1 HETATM 2830 O O . HOH H 8 . ? -3.103 27.054 18.415 1.00 36.38 ? 1150 HOH H O 1 HETATM 2831 O O . HOH H 8 . ? 11.757 16.702 13.150 1.00 17.48 ? 1151 HOH H O 1 HETATM 2832 O O . HOH H 8 . ? 14.092 4.543 29.670 1.00 26.19 ? 1152 HOH H O 1 HETATM 2833 O O . HOH H 8 . ? 26.945 -1.041 15.442 1.00 48.17 ? 1153 HOH H O 1 HETATM 2834 O O . HOH H 8 . ? 6.017 27.726 13.521 1.00 27.64 ? 1154 HOH H O 1 HETATM 2835 O O . HOH H 8 . ? 9.944 15.955 10.550 1.00 31.34 ? 1156 HOH H O 1 HETATM 2836 O O . HOH H 8 . ? 4.268 24.814 15.804 1.00 20.50 ? 1157 HOH H O 1 HETATM 2837 O O . HOH H 8 . ? 5.716 14.938 27.043 1.00 60.68 ? 1158 HOH H O 1 HETATM 2838 O O . HOH H 8 . ? 22.688 25.175 39.418 1.00 36.62 ? 1161 HOH H O 1 HETATM 2839 O O . HOH H 8 . ? 12.830 24.411 27.951 1.00 46.32 ? 1162 HOH H O 1 HETATM 2840 O O . HOH H 8 . ? 29.766 33.566 4.139 1.00 21.52 ? 1163 HOH H O 1 HETATM 2841 O O . HOH H 8 . ? 29.828 1.679 25.876 1.00 28.16 ? 1164 HOH H O 1 HETATM 2842 O O . HOH H 8 . ? 22.434 16.503 46.877 1.00 46.24 ? 1166 HOH H O 1 HETATM 2843 O O . HOH H 8 . ? 32.534 18.250 5.200 1.00 12.95 ? 1170 HOH H O 1 HETATM 2844 O O . HOH H 8 . ? 28.302 33.976 13.358 1.00 20.73 ? 1171 HOH H O 1 HETATM 2845 O O . HOH H 8 . ? 8.873 16.329 12.404 1.00 19.42 ? 1173 HOH H O 1 HETATM 2846 O O . HOH H 8 . ? 39.314 16.493 41.051 1.00 24.41 ? 1176 HOH H O 1 HETATM 2847 O O . HOH H 8 . ? 24.949 -8.063 29.789 1.00 28.24 ? 1178 HOH H O 1 HETATM 2848 O O . HOH H 8 . ? 15.612 35.447 31.259 1.00 23.21 ? 1181 HOH H O 1 HETATM 2849 O O . HOH H 8 . ? 6.773 24.958 37.880 1.00 49.34 ? 1182 HOH H O 1 HETATM 2850 O O . HOH H 8 . ? 40.252 15.473 36.450 1.00 25.19 ? 1183 HOH H O 1 HETATM 2851 O O . HOH H 8 . ? 13.376 30.411 15.169 1.00 13.15 ? 1184 HOH H O 1 HETATM 2852 O O . HOH H 8 . ? 23.940 3.105 10.941 1.00 26.31 ? 1185 HOH H O 1 HETATM 2853 O O . HOH H 8 . ? 8.212 18.590 12.927 1.00 14.42 ? 1187 HOH H O 1 HETATM 2854 O O . HOH H 8 . ? 42.041 21.140 10.143 1.00 42.86 ? 1189 HOH H O 1 HETATM 2855 O O . HOH H 8 . ? 25.484 33.240 36.655 1.00 28.31 ? 1192 HOH H O 1 HETATM 2856 O O . HOH H 8 . ? 3.386 30.805 9.754 1.00 29.39 ? 1193 HOH H O 1 HETATM 2857 O O . HOH H 8 . ? 35.701 32.729 15.428 1.00 35.16 ? 1194 HOH H O 1 HETATM 2858 O O . HOH H 8 . ? 32.349 38.402 26.511 1.00 46.14 ? 1195 HOH H O 1 HETATM 2859 O O . HOH H 8 . ? 9.997 28.540 45.110 1.00 37.85 ? 1196 HOH H O 1 HETATM 2860 O O . HOH H 8 . ? 41.739 9.493 35.328 1.00 41.73 ? 1198 HOH H O 1 HETATM 2861 O O . HOH H 8 . ? 42.202 28.856 28.768 1.00 32.62 ? 1199 HOH H O 1 HETATM 2862 O O . HOH H 8 . ? 10.929 18.168 25.265 1.00 29.28 ? 1201 HOH H O 1 HETATM 2863 O O . HOH H 8 . ? 10.962 30.091 7.048 1.00 39.27 ? 1202 HOH H O 1 HETATM 2864 O O . HOH H 8 . ? 10.444 13.515 11.905 1.00 23.61 ? 1204 HOH H O 1 HETATM 2865 O O . HOH H 8 . ? 6.628 34.791 11.411 1.00 42.72 ? 1205 HOH H O 1 HETATM 2866 O O . HOH H 8 . ? 41.105 20.448 16.101 1.00 28.40 ? 1207 HOH H O 1 HETATM 2867 O O . HOH H 8 . ? 0.171 27.419 15.093 1.00 28.05 ? 1208 HOH H O 1 HETATM 2868 O O . HOH H 8 . ? 35.242 10.551 35.804 1.00 26.36 ? 1209 HOH H O 1 HETATM 2869 O O . HOH H 8 . ? 30.617 -1.657 13.901 1.00 26.65 ? 1211 HOH H O 1 HETATM 2870 O O . HOH H 8 . ? 33.046 35.309 28.106 1.00 35.28 ? 1213 HOH H O 1 HETATM 2871 O O . HOH H 8 . ? 29.196 26.291 38.618 1.00 19.90 ? 1214 HOH H O 1 HETATM 2872 O O . HOH H 8 . ? 42.227 9.774 14.966 1.00 24.83 ? 1215 HOH H O 1 HETATM 2873 O O . HOH H 8 . ? 6.870 24.117 25.376 1.00 38.80 ? 1216 HOH H O 1 HETATM 2874 O O . HOH H 8 . ? 25.418 40.315 28.484 1.00 37.05 ? 1218 HOH H O 1 HETATM 2875 O O . HOH H 8 . ? 24.235 2.198 32.263 1.00 27.03 ? 1219 HOH H O 1 HETATM 2876 O O . HOH H 8 . ? 23.520 27.209 2.236 1.00 20.36 ? 1221 HOH H O 1 HETATM 2877 O O . HOH H 8 . ? 29.102 7.930 36.363 1.00 35.24 ? 1222 HOH H O 1 HETATM 2878 O O . HOH H 8 . ? 33.626 16.166 4.002 1.00 41.30 ? 1224 HOH H O 1 HETATM 2879 O O . HOH H 8 . ? 23.143 33.652 4.109 1.00 28.11 ? 1227 HOH H O 1 HETATM 2880 O O . HOH H 8 . ? 27.449 -1.434 23.313 1.00 37.73 ? 1228 HOH H O 1 HETATM 2881 O O . HOH H 8 . ? 19.114 43.267 8.490 1.00 34.21 ? 1229 HOH H O 1 HETATM 2882 O O . HOH H 8 . ? 27.438 42.273 26.057 1.00 32.81 ? 1230 HOH H O 1 HETATM 2883 O O . HOH H 8 . ? 12.876 29.313 12.917 1.00 26.20 ? 1232 HOH H O 1 HETATM 2884 O O . HOH H 8 . ? 21.743 30.020 3.309 1.00 32.66 ? 1233 HOH H O 1 HETATM 2885 O O . HOH H 8 . ? 41.771 26.556 20.885 1.00 44.81 ? 1234 HOH H O 1 HETATM 2886 O O . HOH H 8 . ? 41.029 21.794 20.898 1.00 30.55 ? 1235 HOH H O 1 HETATM 2887 O O . HOH H 8 . ? 35.192 1.889 16.542 1.00 44.24 ? 1236 HOH H O 1 HETATM 2888 O O . HOH H 8 . ? 20.000 21.343 0.690 1.00 52.14 ? 1237 HOH H O 1 HETATM 2889 O O . HOH H 8 . ? 36.287 31.883 27.391 1.00 32.72 ? 1238 HOH H O 1 HETATM 2890 O O . HOH H 8 . ? 39.119 10.283 8.456 1.00 32.39 ? 1240 HOH H O 1 HETATM 2891 O O . HOH H 8 . ? 23.316 6.420 5.307 1.00 36.25 ? 1241 HOH H O 1 HETATM 2892 O O . HOH H 8 . ? 11.783 4.358 20.966 1.00 33.27 ? 1242 HOH H O 1 HETATM 2893 O O . HOH H 8 . ? 43.993 18.592 5.627 1.00 35.34 ? 1243 HOH H O 1 HETATM 2894 O O . HOH H 8 . ? 6.811 9.757 20.384 1.00 34.70 ? 1244 HOH H O 1 HETATM 2895 O O . HOH H 8 . ? 23.928 25.286 -0.059 1.00 36.72 ? 1245 HOH H O 1 HETATM 2896 O O . HOH H 8 . ? 16.250 40.058 10.647 1.00 27.51 ? 1247 HOH H O 1 HETATM 2897 O O . HOH H 8 . ? 15.417 14.405 40.124 1.00 29.23 ? 1248 HOH H O 1 HETATM 2898 O O . HOH H 8 . ? 38.744 6.097 30.047 1.00 35.43 ? 1249 HOH H O 1 HETATM 2899 O O . HOH H 8 . ? 9.597 23.606 41.688 1.00 56.69 ? 1251 HOH H O 1 HETATM 2900 O O . HOH H 8 . ? 26.597 30.344 38.379 1.00 29.02 ? 1252 HOH H O 1 HETATM 2901 O O . HOH H 8 . ? 27.060 -3.718 24.309 1.00 32.44 ? 1253 HOH H O 1 HETATM 2902 O O . HOH H 8 . ? 12.401 22.345 4.590 1.00 24.85 ? 1254 HOH H O 1 HETATM 2903 O O . HOH H 8 . ? -0.354 17.420 21.277 1.00 41.30 ? 1255 HOH H O 1 HETATM 2904 O O . HOH H 8 . ? 29.844 3.162 28.225 1.00 35.25 ? 1256 HOH H O 1 HETATM 2905 O O . HOH H 8 . ? 16.427 29.216 40.245 1.00 44.74 ? 1258 HOH H O 1 HETATM 2906 O O . HOH H 8 . ? 0.502 20.392 22.953 1.00 38.73 ? 1259 HOH H O 1 HETATM 2907 O O . HOH I 8 . ? 31.146 9.759 6.896 1.00 12.52 ? 1033 HOH L O 1 HETATM 2908 O O . HOH I 8 . ? 37.443 9.619 20.530 1.00 14.00 ? 1035 HOH L O 1 HETATM 2909 O O . HOH I 8 . ? 41.550 9.147 21.135 1.00 13.58 ? 1051 HOH L O 1 HETATM 2910 O O . HOH I 8 . ? 31.192 14.778 3.720 1.00 34.24 ? 1060 HOH L O 1 HETATM 2911 O O . HOH I 8 . ? 20.207 16.646 2.368 1.00 33.04 ? 1087 HOH L O 1 HETATM 2912 O O . HOH I 8 . ? 26.288 2.902 9.362 1.00 25.73 ? 1091 HOH L O 1 HETATM 2913 O O . HOH I 8 . ? 32.183 -0.231 4.985 1.00 37.22 ? 1144 HOH L O 1 HETATM 2914 O O . HOH I 8 . ? 43.677 17.487 30.413 1.00 18.62 ? 1155 HOH L O 1 HETATM 2915 O O . HOH I 8 . ? 27.178 28.694 0.583 1.00 39.55 ? 1159 HOH L O 1 HETATM 2916 O O . HOH I 8 . ? 27.906 26.715 -1.645 1.00 22.51 ? 1160 HOH L O 1 HETATM 2917 O O . HOH I 8 . ? 30.552 -2.180 6.701 1.00 49.95 ? 1167 HOH L O 1 HETATM 2918 O O . HOH I 8 . ? 42.198 12.663 25.281 1.00 11.10 ? 1169 HOH L O 1 HETATM 2919 O O . HOH I 8 . ? 30.182 16.912 4.922 1.00 21.93 ? 1172 HOH L O 1 HETATM 2920 O O . HOH I 8 . ? 41.849 16.055 17.673 1.00 22.30 ? 1175 HOH L O 1 HETATM 2921 O O . HOH I 8 . ? 25.319 12.719 2.408 1.00 22.63 ? 1186 HOH L O 1 HETATM 2922 O O . HOH I 8 . ? 32.704 13.824 2.053 1.00 37.77 ? 1190 HOH L O 1 HETATM 2923 O O . HOH I 8 . ? 38.644 5.956 19.674 1.00 21.47 ? 1191 HOH L O 1 HETATM 2924 O O . HOH I 8 . ? 23.685 22.433 0.972 1.00 16.98 ? 1197 HOH L O 1 HETATM 2925 O O . HOH I 8 . ? 18.964 16.009 8.129 1.00 34.00 ? 1200 HOH L O 1 HETATM 2926 O O . HOH I 8 . ? 28.948 5.940 1.762 1.00 28.18 ? 1206 HOH L O 1 HETATM 2927 O O . HOH I 8 . ? 36.595 3.978 19.567 1.00 34.38 ? 1217 HOH L O 1 HETATM 2928 O O . HOH I 8 . ? 30.184 -1.360 11.164 1.00 41.98 ? 1225 HOH L O 1 HETATM 2929 O O . HOH I 8 . ? 40.044 20.090 22.364 1.00 32.38 ? 1226 HOH L O 1 HETATM 2930 O O . HOH I 8 . ? 44.326 13.033 16.286 1.00 23.91 ? 1239 HOH L O 1 HETATM 2931 O O . HOH I 8 . ? 27.595 -2.283 5.696 1.00 59.97 ? 1260 HOH L O 1 HETATM 2932 O O . HOH I 8 . ? 40.765 18.312 19.967 1.00 36.38 ? 1262 HOH L O 1 HETATM 2933 O O . HOH J 8 . ? 21.707 -9.922 21.892 1.00 14.36 ? 1022 HOH D O 1 HETATM 2934 O O . HOH J 8 . ? 5.921 -4.912 27.838 1.00 38.36 ? 1030 HOH D O 1 HETATM 2935 O O . HOH J 8 . ? 4.851 2.866 25.207 1.00 43.16 ? 1036 HOH D O 1 HETATM 2936 O O . HOH J 8 . ? 22.360 -16.209 33.538 1.00 23.70 ? 1037 HOH D O 1 HETATM 2937 O O . HOH J 8 . ? 9.768 -11.200 28.907 1.00 22.71 ? 1041 HOH D O 1 HETATM 2938 O O . HOH J 8 . ? 21.813 4.179 20.073 1.00 16.06 ? 1052 HOH D O 1 HETATM 2939 O O . HOH J 8 . ? 19.421 -13.899 23.001 1.00 16.28 ? 1058 HOH D O 1 HETATM 2940 O O . HOH J 8 . ? 15.892 -4.653 26.201 1.00 10.52 ? 1059 HOH D O 1 HETATM 2941 O O . HOH J 8 . ? 22.758 -6.725 16.012 1.00 22.35 ? 1062 HOH D O 1 HETATM 2942 O O . HOH J 8 . ? 7.640 -2.969 29.131 1.00 26.73 ? 1065 HOH D O 1 HETATM 2943 O O . HOH J 8 . ? 9.653 -5.227 19.393 1.00 36.05 ? 1067 HOH D O 1 HETATM 2944 O O . HOH J 8 . ? 4.610 -5.253 25.444 1.00 24.93 ? 1072 HOH D O 1 HETATM 2945 O O . HOH J 8 . ? 26.791 -7.766 30.988 1.00 62.89 ? 1074 HOH D O 1 HETATM 2946 O O . HOH J 8 . ? 10.790 -2.226 32.873 1.00 41.71 ? 1088 HOH D O 1 HETATM 2947 O O . HOH J 8 . ? 21.454 -8.283 19.339 1.00 21.86 ? 1093 HOH D O 1 HETATM 2948 O O . HOH J 8 . ? 20.947 -15.037 26.230 1.00 31.29 ? 1100 HOH D O 1 HETATM 2949 O O . HOH J 8 . ? 21.136 -13.408 35.081 1.00 33.31 ? 1126 HOH D O 1 HETATM 2950 O O . HOH J 8 . ? 15.288 -3.409 14.444 1.00 23.95 ? 1132 HOH D O 1 HETATM 2951 O O . HOH J 8 . ? 27.699 -6.373 23.751 1.00 19.42 ? 1135 HOH D O 1 HETATM 2952 O O . HOH J 8 . ? 24.525 -14.982 25.466 1.00 15.88 ? 1136 HOH D O 1 HETATM 2953 O O . HOH J 8 . ? 25.070 -10.747 31.538 1.00 29.73 ? 1139 HOH D O 1 HETATM 2954 O O . HOH J 8 . ? 25.053 -8.101 19.385 1.00 22.89 ? 1145 HOH D O 1 HETATM 2955 O O . HOH J 8 . ? 8.614 -1.107 19.704 1.00 34.83 ? 1165 HOH D O 1 HETATM 2956 O O . HOH J 8 . ? 20.447 -2.364 34.502 1.00 30.44 ? 1168 HOH D O 1 HETATM 2957 O O . HOH J 8 . ? 24.078 -8.790 16.953 1.00 16.74 ? 1174 HOH D O 1 HETATM 2958 O O . HOH J 8 . ? 28.803 -7.284 21.685 1.00 17.46 ? 1177 HOH D O 1 HETATM 2959 O O . HOH J 8 . ? 23.613 -10.684 33.846 1.00 31.02 ? 1179 HOH D O 1 HETATM 2960 O O . HOH J 8 . ? 24.558 -11.947 22.921 1.00 24.09 ? 1180 HOH D O 1 HETATM 2961 O O . HOH J 8 . ? 21.015 -12.475 21.259 1.00 29.93 ? 1188 HOH D O 1 HETATM 2962 O O . HOH J 8 . ? 13.927 -5.946 17.651 1.00 35.97 ? 1203 HOH D O 1 HETATM 2963 O O . HOH J 8 . ? 13.974 -17.769 18.791 1.00 27.06 ? 1210 HOH D O 1 HETATM 2964 O O . HOH J 8 . ? 21.413 -6.721 27.560 1.00 28.63 ? 1212 HOH D O 1 HETATM 2965 O O . HOH J 8 . ? 26.540 -3.507 18.668 1.00 30.17 ? 1220 HOH D O 1 HETATM 2966 O O . HOH J 8 . ? 21.986 -13.709 24.599 1.00 34.00 ? 1223 HOH D O 1 HETATM 2967 O O . HOH J 8 . ? 11.420 -7.469 17.999 1.00 47.38 ? 1231 HOH D O 1 HETATM 2968 O O . HOH J 8 . ? 14.140 4.403 32.953 1.00 37.77 ? 1246 HOH D O 1 HETATM 2969 O O . HOH J 8 . ? 21.719 -13.744 18.700 1.00 36.45 ? 1250 HOH D O 1 HETATM 2970 O O A HOH J 8 . ? 25.989 -6.098 15.373 0.50 21.88 ? 1257 HOH D O 1 HETATM 2971 O O B HOH J 8 . ? 26.625 -4.617 14.974 0.50 27.39 ? 1257 HOH D O 1 HETATM 2972 O O . HOH J 8 . ? 23.802 -15.853 19.213 1.00 38.28 ? 1261 HOH D O 1 HETATM 2973 O O . HOH J 8 . ? 17.176 -8.668 33.682 1.00 39.90 ? 1264 HOH D O 1 HETATM 2974 O O . HOH J 8 . ? 18.216 -16.103 25.562 1.00 32.32 ? 1265 HOH D O 1 HETATM 2975 O O . HOH J 8 . ? 20.451 -9.579 32.830 1.00 39.35 ? 1266 HOH D O 1 HETATM 2976 O O . HOH J 8 . ? 15.021 -10.102 16.260 1.00 38.38 ? 1267 HOH D O 1 HETATM 2977 O O . HOH J 8 . ? 15.058 -4.230 16.711 1.00 53.72 ? 1268 HOH D O 1 HETATM 2978 O O . HOH J 8 . ? 22.395 -18.188 31.593 1.00 33.68 ? 1269 HOH D O 1 # 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 ILE 1 16 16 ILE ILE H . n A 1 2 VAL 2 17 17 VAL VAL H . n A 1 3 GLU 3 18 18 GLU GLU H . n A 1 4 GLY 4 19 19 GLY GLY H . n A 1 5 SER 5 20 20 SER SER H . n A 1 6 ASP 6 21 21 ASP ASP H . n A 1 7 ALA 7 22 22 ALA ALA H . n A 1 8 GLU 8 23 23 GLU GLU H . n A 1 9 ILE 9 24 24 ILE ILE H . n A 1 10 GLY 10 25 25 GLY GLY H . n A 1 11 MET 11 26 26 MET MET H . n A 1 12 SER 12 27 27 SER SER H . n A 1 13 PRO 13 28 28 PRO PRO H . n A 1 14 TRP 14 29 29 TRP TRP H . n A 1 15 GLN 15 30 30 GLN GLN H . n A 1 16 VAL 16 31 31 VAL VAL H . n A 1 17 MET 17 32 32 MET MET H . n A 1 18 LEU 18 33 33 LEU LEU H . n A 1 19 PHE 19 34 34 PHE PHE H . n A 1 20 ARG 20 35 35 ARG ARG H . n A 1 21 LYS 21 36 36 LYS LYS H . n A 1 22 SER 22 36 36 SER SER H A n A 1 23 PRO 23 37 37 PRO PRO H . n A 1 24 GLN 24 38 38 GLN GLN H . n A 1 25 GLU 25 39 39 GLU GLU H . n A 1 26 LEU 26 40 40 LEU LEU H . n A 1 27 LEU 27 41 41 LEU LEU H . n A 1 28 CYS 28 42 42 CYS CYS H . n A 1 29 GLY 29 43 43 GLY GLY H . n A 1 30 ALA 30 44 44 ALA ALA H . n A 1 31 SER 31 45 45 SER SER H . n A 1 32 LEU 32 46 46 LEU LEU H . n A 1 33 ILE 33 47 47 ILE ILE H . n A 1 34 SER 34 48 48 SER SER H . n A 1 35 ASP 35 49 49 ASP ASP H . n A 1 36 ARG 36 50 50 ARG ARG H . n A 1 37 TRP 37 51 51 TRP TRP H . n A 1 38 VAL 38 52 52 VAL VAL H . n A 1 39 LEU 39 53 53 LEU LEU H . n A 1 40 THR 40 54 54 THR THR H . n A 1 41 ALA 41 55 55 ALA ALA H . n A 1 42 ALA 42 56 56 ALA ALA H . n A 1 43 HIS 43 57 57 HIS HIS H . n A 1 44 CYS 44 58 58 CYS CYS H . n A 1 45 LEU 45 59 59 LEU LEU H . n A 1 46 LEU 46 60 60 LEU LEU H . n A 1 47 TYR 47 60 60 TYR TYR H A n A 1 48 PRO 48 60 60 PRO PRO H B n A 1 49 PRO 49 60 60 PRO PRO H C n A 1 50 TRP 50 60 60 TRP TRP H D n A 1 51 ASP 51 60 60 ASP ASP H E n A 1 52 LYS 52 60 60 LYS LYS H F n A 1 53 ASN 53 60 60 ASN ASN H G n A 1 54 PHE 54 60 60 PHE PHE H H n A 1 55 THR 55 60 60 THR THR H I n A 1 56 GLU 56 61 61 GLU GLU H . n A 1 57 ASN 57 62 62 ASN ASN H . n A 1 58 ASP 58 63 63 ASP ASP H . n A 1 59 LEU 59 64 64 LEU LEU H . n A 1 60 LEU 60 65 65 LEU LEU H . n A 1 61 VAL 61 66 66 VAL VAL H . n A 1 62 ARG 62 67 67 ARG ARG H . n A 1 63 ILE 63 68 68 ILE ILE H . n A 1 64 GLY 64 69 69 GLY GLY H . n A 1 65 LYS 65 70 70 LYS LYS H . n A 1 66 HIS 66 71 71 HIS HIS H . n A 1 67 SER 67 72 72 SER SER H . n A 1 68 ARG 68 73 73 ARG ARG H . n A 1 69 THR 69 74 74 THR THR H . n A 1 70 ARG 70 75 75 ARG ARG H . n A 1 71 TYR 71 76 76 TYR TYR H . n A 1 72 GLU 72 77 77 GLU GLU H . n A 1 73 ARG 73 77 77 ARG ARG H A n A 1 74 ASN 74 78 78 ASN ASN H . n A 1 75 ILE 75 79 79 ILE ILE H . n A 1 76 GLU 76 80 80 GLU GLU H . n A 1 77 LYS 77 81 81 LYS LYS H . n A 1 78 ILE 78 82 82 ILE ILE H . n A 1 79 SER 79 83 83 SER SER H . n A 1 80 MET 80 84 84 MET MET H . n A 1 81 LEU 81 85 85 LEU LEU H . n A 1 82 GLU 82 86 86 GLU GLU H . n A 1 83 LYS 83 87 87 LYS LYS H . n A 1 84 ILE 84 88 88 ILE ILE H . n A 1 85 TYR 85 89 89 TYR TYR H . n A 1 86 ILE 86 90 90 ILE ILE H . n A 1 87 HIS 87 91 91 HIS HIS H . n A 1 88 PRO 88 92 92 PRO PRO H . n A 1 89 ARG 89 93 93 ARG ARG H . n A 1 90 TYR 90 94 94 TYR TYR H . n A 1 91 ASN 91 95 95 ASN ASN H . n A 1 92 TRP 92 96 96 TRP TRP H . n A 1 93 ARG 93 97 97 ARG ARG H . n A 1 94 GLU 94 97 97 GLU GLU H A n A 1 95 ASN 95 98 98 ASN ASN H . n A 1 96 LEU 96 99 99 LEU LEU H . n A 1 97 ASP 97 100 100 ASP ASP H . n A 1 98 ARG 98 101 101 ARG ARG H . n A 1 99 ASP 99 102 102 ASP ASP H . n A 1 100 ILE 100 103 103 ILE ILE H . n A 1 101 ALA 101 104 104 ALA ALA H . n A 1 102 LEU 102 105 105 LEU LEU H . n A 1 103 MET 103 106 106 MET MET H . n A 1 104 LYS 104 107 107 LYS LYS H . n A 1 105 LEU 105 108 108 LEU LEU H . n A 1 106 LYS 106 109 109 LYS LYS H . n A 1 107 LYS 107 110 110 LYS LYS H . n A 1 108 PRO 108 111 111 PRO PRO H . n A 1 109 VAL 109 112 112 VAL VAL H . n A 1 110 ALA 110 113 113 ALA ALA H . n A 1 111 PHE 111 114 114 PHE PHE H . n A 1 112 SER 112 115 115 SER SER H . n A 1 113 ASP 113 116 116 ASP ASP H . n A 1 114 TYR 114 117 117 TYR TYR H . n A 1 115 ILE 115 118 118 ILE ILE H . n A 1 116 HIS 116 119 119 HIS HIS H . n A 1 117 PRO 117 120 120 PRO PRO H . n A 1 118 VAL 118 121 121 VAL VAL H . n A 1 119 CYS 119 122 122 CYS CYS H . n A 1 120 LEU 120 123 123 LEU LEU H . n A 1 121 PRO 121 124 124 PRO PRO H . n A 1 122 ASP 122 125 125 ASP ASP H . n A 1 123 ARG 123 126 126 ARG ARG H . n A 1 124 GLU 124 127 127 GLU GLU H . n A 1 125 THR 125 128 128 THR THR H . n A 1 126 ALA 126 129 129 ALA ALA H . n A 1 127 ALA 127 129 129 ALA ALA H A n A 1 128 SER 128 129 129 SER SER H B n A 1 129 LEU 129 129 129 LEU LEU H C n A 1 130 LEU 130 130 130 LEU LEU H . n A 1 131 GLN 131 131 131 GLN GLN H . n A 1 132 ALA 132 132 132 ALA ALA H . n A 1 133 GLY 133 133 133 GLY GLY H . n A 1 134 TYR 134 134 134 TYR TYR H . n A 1 135 LYS 135 135 135 LYS LYS H . n A 1 136 GLY 136 136 136 GLY GLY H . n A 1 137 ARG 137 137 137 ARG ARG H . n A 1 138 VAL 138 138 138 VAL VAL H . n A 1 139 THR 139 139 139 THR THR H . n A 1 140 GLY 140 140 140 GLY GLY H . n A 1 141 TRP 141 141 141 TRP TRP H . n A 1 142 GLY 142 142 142 GLY GLY H . n A 1 143 ASN 143 143 143 ASN ASN H . n A 1 144 LEU 144 144 144 LEU LEU H . n A 1 145 LYS 145 145 145 LYS LYS H . n A 1 146 GLU 146 146 146 GLU GLU H . n A 1 147 THR 147 147 147 THR THR H . n A 1 148 TRP 148 148 148 TRP TRP H . n A 1 149 THR 149 149 149 THR THR H . n A 1 150 ALA 150 149 149 ALA ALA H A n A 1 151 ASN 151 149 149 ASN ASN H B n A 1 152 VAL 152 149 149 VAL VAL H C n A 1 153 GLY 153 149 149 GLY GLY H D n A 1 154 LYS 154 149 149 LYS LYS H E n A 1 155 GLY 155 150 150 GLY GLY H . n A 1 156 GLN 156 151 151 GLN GLN H . n A 1 157 PRO 157 152 152 PRO PRO H . n A 1 158 SER 158 153 153 SER SER H . n A 1 159 VAL 159 154 154 VAL VAL H . n A 1 160 LEU 160 155 155 LEU LEU H . n A 1 161 GLN 161 156 156 GLN GLN H . n A 1 162 VAL 162 157 157 VAL VAL H . n A 1 163 VAL 163 158 158 VAL VAL H . n A 1 164 ASN 164 159 159 ASN ASN H . n A 1 165 LEU 165 160 160 LEU LEU H . n A 1 166 PRO 166 161 161 PRO PRO H . n A 1 167 ILE 167 162 162 ILE ILE H . n A 1 168 VAL 168 163 163 VAL VAL H . n A 1 169 GLU 169 164 164 GLU GLU H . n A 1 170 ARG 170 165 165 ARG ARG H . n A 1 171 PRO 171 166 166 PRO PRO H . n A 1 172 VAL 172 167 167 VAL VAL H . n A 1 173 CYS 173 168 168 CYS CYS H . n A 1 174 LYS 174 169 169 LYS LYS H . n A 1 175 ASP 175 170 170 ASP ASP H . n A 1 176 SER 176 171 171 SER SER H . n A 1 177 THR 177 172 172 THR THR H . n A 1 178 ARG 178 173 173 ARG ARG H . n A 1 179 ILE 179 174 174 ILE ILE H . n A 1 180 ARG 180 175 175 ARG ARG H . n A 1 181 ILE 181 176 176 ILE ILE H . n A 1 182 THR 182 177 177 THR THR H . n A 1 183 ASP 183 178 178 ASP ASP H . n A 1 184 ASN 184 179 179 ASN ASN H . n A 1 185 MET 185 180 180 MET MET H . n A 1 186 PHE 186 181 181 PHE PHE H . n A 1 187 CYS 187 182 182 CYS CYS H . n A 1 188 ALA 188 183 183 ALA ALA H . n A 1 189 GLY 189 184 184 GLY GLY H . n A 1 190 TYR 190 184 184 TYR TYR H A n A 1 191 LYS 191 185 185 LYS LYS H . n A 1 192 PRO 192 186 186 PRO PRO H . n A 1 193 ASP 193 186 186 ASP ASP H A n A 1 194 GLU 194 186 186 GLU GLU H B n A 1 195 GLY 195 186 186 GLY GLY H C n A 1 196 LYS 196 186 186 LYS LYS H D n A 1 197 ARG 197 187 187 ARG ARG H . n A 1 198 GLY 198 188 188 GLY GLY H . n A 1 199 ASP 199 189 189 ASP ASP H . n A 1 200 ALA 200 190 190 ALA ALA H . n A 1 201 CYS 201 191 191 CYS CYS H . n A 1 202 GLU 202 192 192 GLU GLU H . n A 1 203 GLY 203 193 193 GLY GLY H . n A 1 204 ASP 204 194 194 ASP ASP H . n A 1 205 SER 205 195 195 SER SER H . n A 1 206 GLY 206 196 196 GLY GLY H . n A 1 207 GLY 207 197 197 GLY GLY H . n A 1 208 PRO 208 198 198 PRO PRO H . n A 1 209 PHE 209 199 199 PHE PHE H . n A 1 210 VAL 210 200 200 VAL VAL H . n A 1 211 MET 211 201 201 MET MET H . n A 1 212 LYS 212 202 202 LYS LYS H . n A 1 213 SER 213 203 203 SER SER H . n A 1 214 PRO 214 204 204 PRO PRO H . n A 1 215 PHE 215 204 204 PHE PHE H A n A 1 216 ASN 216 204 204 ASN ASN H B n A 1 217 ASN 217 205 205 ASN ASN H . n A 1 218 ARG 218 206 206 ARG ARG H . n A 1 219 TRP 219 207 207 TRP TRP H . n A 1 220 TYR 220 208 208 TYR TYR H . n A 1 221 GLN 221 209 209 GLN GLN H . n A 1 222 MET 222 210 210 MET MET H . n A 1 223 GLY 223 211 211 GLY GLY H . n A 1 224 ILE 224 212 212 ILE ILE H . n A 1 225 VAL 225 213 213 VAL VAL H . n A 1 226 SER 226 214 214 SER SER H . n A 1 227 TRP 227 215 215 TRP TRP H . n A 1 228 GLY 228 216 216 GLY GLY H . n A 1 229 GLU 229 217 217 GLU GLU H . n A 1 230 GLY 230 219 219 GLY GLY H . n A 1 231 CYS 231 220 220 CYS CYS H . n A 1 232 ASP 232 221 221 ASP ASP H A n A 1 233 ARG 233 221 221 ARG ARG H . n A 1 234 ASP 234 222 222 ASP ASP H . n A 1 235 GLY 235 223 223 GLY GLY H . n A 1 236 LYS 236 224 224 LYS LYS H . n A 1 237 TYR 237 225 225 TYR TYR H . n A 1 238 GLY 238 226 226 GLY GLY H . n A 1 239 PHE 239 227 227 PHE PHE H . n A 1 240 TYR 240 228 228 TYR TYR H . n A 1 241 THR 241 229 229 THR THR H . n A 1 242 HIS 242 230 230 HIS HIS H . n A 1 243 VAL 243 231 231 VAL VAL H . n A 1 244 PHE 244 232 232 PHE PHE H . n A 1 245 ARG 245 233 233 ARG ARG H . n A 1 246 LEU 246 234 234 LEU LEU H . n A 1 247 LYS 247 235 235 LYS LYS H . n A 1 248 LYS 248 236 236 LYS LYS H . n A 1 249 TRP 249 237 237 TRP TRP H . n A 1 250 ILE 250 238 238 ILE ILE H . n A 1 251 GLN 251 239 239 GLN GLN H . n A 1 252 LYS 252 240 240 LYS LYS H . n A 1 253 VAL 253 241 241 VAL VAL H . n A 1 254 ILE 254 242 242 ILE ILE H . n A 1 255 ASP 255 243 243 ASP ASP H . n A 1 256 GLN 256 244 244 GLN GLN H . n A 1 257 PHE 257 245 245 PHE PHE H . n A 1 258 GLY 258 246 246 GLY GLY H . n A 1 259 GLU 259 247 247 GLU GLU H . n B 2 1 THR 1 1 1 THR THR L H n B 2 2 PHE 2 1 1 PHE PHE L G n B 2 3 GLY 3 1 1 GLY GLY L F n B 2 4 SER 4 1 1 SER SER L E n B 2 5 GLY 5 1 1 GLY GLY L D n B 2 6 GLU 6 1 1 GLU GLU L C n B 2 7 ALA 7 1 1 ALA ALA L B n B 2 8 ASP 8 1 1 ASP ASP L A n B 2 9 CYS 9 1 1 CYS CYS L . n B 2 10 GLY 10 2 2 GLY GLY L . n B 2 11 LEU 11 3 3 LEU LEU L . n B 2 12 ARG 12 4 4 ARG ARG L . n B 2 13 PRO 13 5 5 PRO PRO L . n B 2 14 LEU 14 6 6 LEU LEU L . n B 2 15 PHE 15 7 7 PHE PHE L . n B 2 16 GLU 16 8 8 GLU GLU L . n B 2 17 LYS 17 9 9 LYS LYS L . n B 2 18 LYS 18 10 10 LYS LYS L . n B 2 19 SER 19 11 11 SER SER L . n B 2 20 LEU 20 12 12 LEU LEU L . n B 2 21 GLU 21 13 13 GLU GLU L . n B 2 22 ASP 22 14 14 ASP ASP L . n B 2 23 LYS 23 14 14 LYS LYS L A n B 2 24 THR 24 14 14 THR THR L B n B 2 25 GLU 25 14 14 GLU GLU L C n B 2 26 ARG 26 14 14 ARG ARG L D n B 2 27 GLU 27 14 14 GLU GLU L E n B 2 28 LEU 28 14 14 LEU LEU L F n B 2 29 LEU 29 14 14 LEU LEU L G n B 2 30 GLU 30 14 14 GLU GLU L H n B 2 31 SER 31 14 14 SER SER L I n B 2 32 TYR 32 14 14 TYR TYR L J n B 2 33 ILE 33 14 14 ILE ILE L K n B 2 34 ASP 34 14 14 ASP ASP L L n B 2 35 GLY 35 15 ? ? ? L . n B 2 36 ARG 36 16 ? ? ? L . n C 3 1 DG 1 1 1 DG DG D . n C 3 2 DG 2 2 2 DG DG D . n C 3 3 DT 3 3 3 DT DT D . n C 3 4 DT 4 4 4 DT DT D . n C 3 5 DG 5 5 5 DG DG D . n C 3 6 DG 6 6 6 DG DG D . n C 3 7 DT 7 7 7 DT DT D . n C 3 8 DG 8 8 8 DG DG D . n C 3 9 DT 9 9 9 DT DT D . n C 3 10 DG 10 10 10 DG DG D . n C 3 11 DG 11 11 11 DG DG D . n C 3 12 DT 12 12 12 DT DT D . n C 3 13 DT 13 13 13 DT DT D . n C 3 14 DG 14 14 14 DG DG D . n C 3 15 DG 15 15 15 DG DG D . n # _pdbx_molecule_features.prd_id PRD_000020 _pdbx_molecule_features.name D-Phe-Pro-Arg-CH2Cl _pdbx_molecule_features.type Peptide-like _pdbx_molecule_features.class Inhibitor _pdbx_molecule_features.details ? # _pdbx_molecule.instance_id 1 _pdbx_molecule.prd_id PRD_000020 _pdbx_molecule.asym_id D # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 53 _pdbx_struct_mod_residue.auth_asym_id H _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 60 _pdbx_struct_mod_residue.PDB_ins_code G _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details trimeric _pdbx_struct_assembly.oligomeric_count 3 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J # 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)' 4120 ? 1 MORE -15 ? 1 'SSA (A^2)' 14920 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # 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 O ? H HOH . ? H HOH 1085 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? A ARG 233 ? H ARG 221 ? 1_555 121.2 ? 2 O ? H HOH . ? H HOH 1085 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? H HOH . ? H HOH 1232 ? 1_555 103.9 ? 3 O ? A ARG 233 ? H ARG 221 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? H HOH . ? H HOH 1232 ? 1_555 102.0 ? 4 O ? H HOH . ? H HOH 1085 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? H HOH . ? H HOH 1042 ? 1_555 86.7 ? 5 O ? A ARG 233 ? H ARG 221 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? H HOH . ? H HOH 1042 ? 1_555 147.1 ? 6 O ? H HOH . ? H HOH 1232 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? H HOH . ? H HOH 1042 ? 1_555 86.0 ? 7 O ? H HOH . ? H HOH 1085 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? A LYS 236 ? H LYS 224 ? 1_555 149.4 ? 8 O ? A ARG 233 ? H ARG 221 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? A LYS 236 ? H LYS 224 ? 1_555 86.7 ? 9 O ? H HOH . ? H HOH 1232 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? A LYS 236 ? H LYS 224 ? 1_555 79.9 ? 10 O ? H HOH . ? H HOH 1042 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? A LYS 236 ? H LYS 224 ? 1_555 63.1 ? 11 O ? H HOH . ? H HOH 1085 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? H HOH . ? H HOH 1053 ? 1_555 83.3 ? 12 O ? A ARG 233 ? H ARG 221 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? H HOH . ? H HOH 1053 ? 1_555 88.6 ? 13 O ? H HOH . ? H HOH 1232 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? H HOH . ? H HOH 1053 ? 1_555 161.0 ? 14 O ? H HOH . ? H HOH 1042 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? H HOH . ? H HOH 1053 ? 1_555 76.8 ? 15 O ? A LYS 236 ? H LYS 224 ? 1_555 NA ? F NA . ? H NA 601 ? 1_555 O ? H HOH . ? H HOH 1053 ? 1_555 85.1 ? 16 O6 ? C DG 10 ? D DG 10 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 2 ? D DG 2 ? 1_555 165.7 ? 17 O6 ? C DG 10 ? D DG 10 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 15 ? D DG 15 ? 1_555 75.4 ? 18 O6 ? C DG 2 ? D DG 2 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 15 ? D DG 15 ? 1_555 118.2 ? 19 O6 ? C DG 10 ? D DG 10 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 14 ? D DG 14 ? 1_555 121.1 ? 20 O6 ? C DG 2 ? D DG 2 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 14 ? D DG 14 ? 1_555 69.6 ? 21 O6 ? C DG 15 ? D DG 15 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 14 ? D DG 14 ? 1_555 75.1 ? 22 O6 ? C DG 10 ? D DG 10 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 6 ? D DG 6 ? 1_555 77.8 ? 23 O6 ? C DG 2 ? D DG 2 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 6 ? D DG 6 ? 1_555 91.0 ? 24 O6 ? C DG 15 ? D DG 15 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 6 ? D DG 6 ? 1_555 117.2 ? 25 O6 ? C DG 14 ? D DG 14 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 6 ? D DG 6 ? 1_555 160.6 ? 26 O6 ? C DG 10 ? D DG 10 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 5 ? D DG 5 ? 1_555 98.1 ? 27 O6 ? C DG 2 ? D DG 2 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 5 ? D DG 5 ? 1_555 69.2 ? 28 O6 ? C DG 15 ? D DG 15 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 5 ? D DG 5 ? 1_555 169.3 ? 29 O6 ? C DG 14 ? D DG 14 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 5 ? D DG 5 ? 1_555 102.0 ? 30 O6 ? C DG 6 ? D DG 6 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 5 ? D DG 5 ? 1_555 68.6 ? 31 O6 ? C DG 10 ? D DG 10 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 1 ? D DG 1 ? 1_555 112.5 ? 32 O6 ? C DG 2 ? D DG 2 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 1 ? D DG 1 ? 1_555 70.9 ? 33 O6 ? C DG 15 ? D DG 15 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 1 ? D DG 1 ? 1_555 70.6 ? 34 O6 ? C DG 14 ? D DG 14 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 1 ? D DG 1 ? 1_555 103.8 ? 35 O6 ? C DG 6 ? D DG 6 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 1 ? D DG 1 ? 1_555 69.4 ? 36 O6 ? C DG 5 ? D DG 5 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 1 ? D DG 1 ? 1_555 120.0 ? 37 O6 ? C DG 10 ? D DG 10 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 11 ? D DG 11 ? 1_555 65.9 ? 38 O6 ? C DG 2 ? D DG 2 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 11 ? D DG 11 ? 1_555 114.2 ? 39 O6 ? C DG 15 ? D DG 15 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 11 ? D DG 11 ? 1_555 96.5 ? 40 O6 ? C DG 14 ? D DG 14 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 11 ? D DG 11 ? 1_555 68.3 ? 41 O6 ? C DG 6 ? D DG 6 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 11 ? D DG 11 ? 1_555 121.6 ? 42 O6 ? C DG 5 ? D DG 5 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 11 ? D DG 11 ? 1_555 73.0 ? 43 O6 ? C DG 1 ? D DG 1 ? 1_555 K ? G K . ? D K 602 ? 1_555 O6 ? C DG 11 ? D DG 11 ? 1_555 166.6 ? # 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 2011-10-19 2 'Structure model' 1 1 2013-02-27 # _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_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group Other # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal CrystalClear 'data collection' . ? 1 AMoRE phasing . ? 2 CNS refinement 1.1 ? 3 HKL-2000 'data reduction' . ? 4 HKL-2000 'data scaling' . ? 5 # _pdbx_entry_details.entry_id 3QLP _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;BECAUSE OF THE PRESENCE OF THE POLARITY INVERSION SITE IN MTBA, SOME RESIDUE HAVE UNUSUAL LINKAGES. IN PARTICULAR RESIDUE D DG 2 IS LINKED TO THE P ATOM OF RESIDUE D DG 1 BY ITS O3' ATOM, AND RESIDUE D DT 3 IS LINKED TO RESIDUE D DT 4 BY ITS O5' ATOM. THE PHOSPHATE GROUP OF RESIDUE D DT 3 IS MISSING DUE TO THE 5'-3' INVERSION OF THIS STRAND. ; _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # 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 OG H SER 195 ? ? O2 H 0G6 1 ? ? 2.09 2 1 O H GLU 247 ? ? O H HOH 1148 ? ? 2.16 3 1 O H HOH 1156 ? ? O H HOH 1173 ? ? 2.17 4 1 O H GLU 247 ? ? O H HOH 1183 ? ? 2.19 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 "O4'" D DG 1 ? ? "C1'" D DG 1 ? ? N9 D DG 1 ? ? 110.12 108.30 1.82 0.30 N 2 1 "C5'" D DG 5 ? ? "C4'" D DG 5 ? ? "C3'" D DG 5 ? ? 123.19 115.70 7.49 1.20 N # 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 SER H 48 ? ? -160.50 -167.88 2 1 ASN H 60 G ? -155.89 84.70 3 1 HIS H 71 ? ? -130.52 -57.06 4 1 ILE H 79 ? ? -122.24 -56.34 5 1 ASN H 98 ? ? -158.49 21.55 6 1 SER H 115 ? ? -160.95 -166.45 7 1 ASN H 204 B ? -145.71 16.39 8 1 ASN H 205 ? ? 31.95 42.43 9 1 PHE L 7 ? ? -128.59 -91.72 # loop_ _pdbx_validate_planes.id _pdbx_validate_planes.PDB_model_num _pdbx_validate_planes.auth_comp_id _pdbx_validate_planes.auth_asym_id _pdbx_validate_planes.auth_seq_id _pdbx_validate_planes.PDB_ins_code _pdbx_validate_planes.label_alt_id _pdbx_validate_planes.rmsd _pdbx_validate_planes.type 1 1 DG D 1 ? ? 0.060 'SIDE CHAIN' 2 1 DT D 12 ? ? 0.061 'SIDE CHAIN' 3 1 DT D 13 ? ? 0.072 'SIDE CHAIN' # loop_ _pdbx_validate_polymer_linkage.id _pdbx_validate_polymer_linkage.PDB_model_num _pdbx_validate_polymer_linkage.auth_atom_id_1 _pdbx_validate_polymer_linkage.auth_asym_id_1 _pdbx_validate_polymer_linkage.auth_comp_id_1 _pdbx_validate_polymer_linkage.auth_seq_id_1 _pdbx_validate_polymer_linkage.PDB_ins_code_1 _pdbx_validate_polymer_linkage.label_alt_id_1 _pdbx_validate_polymer_linkage.auth_atom_id_2 _pdbx_validate_polymer_linkage.auth_asym_id_2 _pdbx_validate_polymer_linkage.auth_comp_id_2 _pdbx_validate_polymer_linkage.auth_seq_id_2 _pdbx_validate_polymer_linkage.PDB_ins_code_2 _pdbx_validate_polymer_linkage.label_alt_id_2 _pdbx_validate_polymer_linkage.dist 1 1 "O3'" D DG 1 ? ? P D DG 2 ? ? 12.24 2 1 "O3'" D DT 3 ? ? P D DT 4 ? ? 5.20 # 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 1 D DT 3 ? OP1 ? C DT 3 OP1 2 1 Y 1 D DT 3 ? OP2 ? C DT 3 OP2 3 1 Y 1 D DT 7 ? N1 ? C DT 7 N1 4 1 Y 1 D DT 7 ? C2 ? C DT 7 C2 5 1 Y 1 D DT 7 ? O2 ? C DT 7 O2 6 1 Y 1 D DT 7 ? N3 ? C DT 7 N3 7 1 Y 1 D DT 7 ? C4 ? C DT 7 C4 8 1 Y 1 D DT 7 ? O4 ? C DT 7 O4 9 1 Y 1 D DT 7 ? C5 ? C DT 7 C5 10 1 Y 1 D DT 7 ? C7 ? C DT 7 C7 11 1 Y 1 D DT 7 ? C6 ? C DT 7 C6 # 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 L GLY 15 ? B GLY 35 2 1 Y 1 L ARG 16 ? B ARG 36 # _ndb_struct_conf_na.entry_id 3QLP _ndb_struct_conf_na.feature 'double helix' # loop_ _ndb_struct_na_base_pair.model_number _ndb_struct_na_base_pair.i_label_asym_id _ndb_struct_na_base_pair.i_label_comp_id _ndb_struct_na_base_pair.i_label_seq_id _ndb_struct_na_base_pair.i_symmetry _ndb_struct_na_base_pair.j_label_asym_id _ndb_struct_na_base_pair.j_label_comp_id _ndb_struct_na_base_pair.j_label_seq_id _ndb_struct_na_base_pair.j_symmetry _ndb_struct_na_base_pair.shear _ndb_struct_na_base_pair.stretch _ndb_struct_na_base_pair.stagger _ndb_struct_na_base_pair.buckle _ndb_struct_na_base_pair.propeller _ndb_struct_na_base_pair.opening _ndb_struct_na_base_pair.pair_number _ndb_struct_na_base_pair.pair_name _ndb_struct_na_base_pair.i_auth_asym_id _ndb_struct_na_base_pair.i_auth_seq_id _ndb_struct_na_base_pair.i_PDB_ins_code _ndb_struct_na_base_pair.j_auth_asym_id _ndb_struct_na_base_pair.j_auth_seq_id _ndb_struct_na_base_pair.j_PDB_ins_code _ndb_struct_na_base_pair.hbond_type_28 _ndb_struct_na_base_pair.hbond_type_12 1 C DG 1 1_555 C DG 15 1_555 -1.713 -3.373 0.262 -3.254 11.069 88.529 1 D_DG1:DG15_D D 1 ? D 15 ? 6 3 1 C DG 6 1_555 C DG 10 1_555 1.939 3.301 -0.657 21.319 -7.444 -85.218 2 D_DG6:DG10_D D 6 ? D 10 ? 6 3 1 C DG 14 1_555 C DG 11 1_555 1.683 3.116 0.001 1.438 -16.173 -93.283 3 D_DG14:DG11_D D 14 ? D 11 ? 6 3 # loop_ _ndb_struct_na_base_pair_step.model_number _ndb_struct_na_base_pair_step.i_label_asym_id_1 _ndb_struct_na_base_pair_step.i_label_comp_id_1 _ndb_struct_na_base_pair_step.i_label_seq_id_1 _ndb_struct_na_base_pair_step.i_symmetry_1 _ndb_struct_na_base_pair_step.j_label_asym_id_1 _ndb_struct_na_base_pair_step.j_label_comp_id_1 _ndb_struct_na_base_pair_step.j_label_seq_id_1 _ndb_struct_na_base_pair_step.j_symmetry_1 _ndb_struct_na_base_pair_step.i_label_asym_id_2 _ndb_struct_na_base_pair_step.i_label_comp_id_2 _ndb_struct_na_base_pair_step.i_label_seq_id_2 _ndb_struct_na_base_pair_step.i_symmetry_2 _ndb_struct_na_base_pair_step.j_label_asym_id_2 _ndb_struct_na_base_pair_step.j_label_comp_id_2 _ndb_struct_na_base_pair_step.j_label_seq_id_2 _ndb_struct_na_base_pair_step.j_symmetry_2 _ndb_struct_na_base_pair_step.shift _ndb_struct_na_base_pair_step.slide _ndb_struct_na_base_pair_step.rise _ndb_struct_na_base_pair_step.tilt _ndb_struct_na_base_pair_step.roll _ndb_struct_na_base_pair_step.twist _ndb_struct_na_base_pair_step.x_displacement _ndb_struct_na_base_pair_step.y_displacement _ndb_struct_na_base_pair_step.helical_rise _ndb_struct_na_base_pair_step.inclination _ndb_struct_na_base_pair_step.tip _ndb_struct_na_base_pair_step.helical_twist _ndb_struct_na_base_pair_step.step_number _ndb_struct_na_base_pair_step.step_name _ndb_struct_na_base_pair_step.i_auth_asym_id_1 _ndb_struct_na_base_pair_step.i_auth_seq_id_1 _ndb_struct_na_base_pair_step.i_PDB_ins_code_1 _ndb_struct_na_base_pair_step.j_auth_asym_id_1 _ndb_struct_na_base_pair_step.j_auth_seq_id_1 _ndb_struct_na_base_pair_step.j_PDB_ins_code_1 _ndb_struct_na_base_pair_step.i_auth_asym_id_2 _ndb_struct_na_base_pair_step.i_auth_seq_id_2 _ndb_struct_na_base_pair_step.i_PDB_ins_code_2 _ndb_struct_na_base_pair_step.j_auth_asym_id_2 _ndb_struct_na_base_pair_step.j_auth_seq_id_2 _ndb_struct_na_base_pair_step.j_PDB_ins_code_2 1 C DG 1 1_555 C DG 15 1_555 C DG 6 1_555 C DG 10 1_555 -1.769 -3.294 -0.112 4.948 -1.412 179.359 -1.647 0.885 -0.112 -0.706 -2.474 179.360 1 DD_DG1DG6:DG10DG15_DD D 1 ? D 15 ? D 6 ? D 10 ? 1 C DG 6 1_555 C DG 10 1_555 C DG 14 1_555 C DG 11 1_555 -1.463 -2.652 0.589 170.315 -52.067 48.889 -1.301 0.813 -0.324 -26.196 -85.691 178.267 2 DD_DG6DG14:DG11DG10_DD D 6 ? D 10 ? D 14 ? D 11 ? # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 'D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide' 0G6 5 N-ACETYL-D-GLUCOSAMINE NAG 6 'SODIUM ION' NA 7 'POTASSIUM ION' K 8 water HOH # 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 D 4 0G6 1 1 1 0G6 0G6 H . E 5 NAG 1 248 1 NAG NAG H . F 6 NA 1 601 601 NA NA H . G 7 K 1 602 602 K K D . H 8 HOH 1 1018 1018 HOH HOH H . H 8 HOH 2 1019 1019 HOH HOH H . H 8 HOH 3 1020 1020 HOH HOH H . H 8 HOH 4 1021 1021 HOH HOH H . H 8 HOH 5 1023 1023 HOH HOH H . H 8 HOH 6 1024 1024 HOH HOH H . H 8 HOH 7 1025 1025 HOH HOH H . H 8 HOH 8 1026 1026 HOH HOH H . H 8 HOH 9 1027 1027 HOH HOH H . H 8 HOH 10 1028 1028 HOH HOH H . H 8 HOH 11 1029 1029 HOH HOH H . H 8 HOH 12 1031 1031 HOH HOH H . H 8 HOH 13 1032 1032 HOH HOH H . H 8 HOH 14 1034 1034 HOH HOH H . H 8 HOH 15 1038 1038 HOH HOH H . H 8 HOH 16 1039 1039 HOH HOH H . H 8 HOH 17 1040 1040 HOH HOH H . H 8 HOH 18 1042 1042 HOH HOH H . H 8 HOH 19 1043 1043 HOH HOH H . H 8 HOH 20 1044 1044 HOH HOH H . H 8 HOH 21 1045 1045 HOH HOH H . H 8 HOH 22 1046 1046 HOH HOH H . H 8 HOH 23 1047 1047 HOH HOH H . H 8 HOH 24 1048 1048 HOH HOH H . H 8 HOH 25 1049 1049 HOH HOH H . H 8 HOH 26 1050 1050 HOH HOH H . H 8 HOH 27 1053 1053 HOH HOH H . H 8 HOH 28 1054 1054 HOH HOH H . H 8 HOH 29 1055 1055 HOH HOH H . H 8 HOH 30 1056 1056 HOH HOH H . H 8 HOH 31 1057 1057 HOH HOH H . H 8 HOH 32 1061 1061 HOH HOH H . H 8 HOH 33 1063 1063 HOH HOH H . H 8 HOH 34 1064 1064 HOH HOH H . H 8 HOH 35 1066 1066 HOH HOH H . H 8 HOH 36 1068 1068 HOH HOH H . H 8 HOH 37 1069 1069 HOH HOH H . H 8 HOH 38 1070 1070 HOH HOH H . H 8 HOH 39 1071 1071 HOH HOH H . H 8 HOH 40 1073 1073 HOH HOH H . H 8 HOH 41 1075 1075 HOH HOH H . H 8 HOH 42 1076 1076 HOH HOH H . H 8 HOH 43 1077 1077 HOH HOH H . H 8 HOH 44 1078 1078 HOH HOH H . H 8 HOH 45 1079 1079 HOH HOH H . H 8 HOH 46 1080 1080 HOH HOH H . H 8 HOH 47 1081 1081 HOH HOH H . H 8 HOH 48 1082 1082 HOH HOH H . H 8 HOH 49 1083 1083 HOH HOH H . H 8 HOH 50 1084 1084 HOH HOH H . H 8 HOH 51 1085 1085 HOH HOH H . H 8 HOH 52 1086 1086 HOH HOH H . H 8 HOH 53 1089 1089 HOH HOH H . H 8 HOH 54 1090 1090 HOH HOH H . H 8 HOH 55 1092 1092 HOH HOH H . H 8 HOH 56 1094 1094 HOH HOH H . H 8 HOH 57 1095 1095 HOH HOH H . H 8 HOH 58 1096 1096 HOH HOH H . H 8 HOH 59 1097 1097 HOH HOH H . H 8 HOH 60 1098 1098 HOH HOH H . H 8 HOH 61 1099 1099 HOH HOH H . H 8 HOH 62 1101 1101 HOH HOH H . H 8 HOH 63 1102 1102 HOH HOH H . H 8 HOH 64 1103 1103 HOH HOH H . H 8 HOH 65 1104 1104 HOH HOH H . H 8 HOH 66 1105 1105 HOH HOH H . H 8 HOH 67 1106 1106 HOH HOH H . H 8 HOH 68 1107 1107 HOH HOH H . H 8 HOH 69 1108 1108 HOH HOH H . H 8 HOH 70 1109 1109 HOH HOH H . H 8 HOH 71 1110 1110 HOH HOH H . H 8 HOH 72 1111 1111 HOH HOH H . H 8 HOH 73 1112 1112 HOH HOH H . H 8 HOH 74 1113 1113 HOH HOH H . H 8 HOH 75 1114 1114 HOH HOH H . H 8 HOH 76 1115 1115 HOH HOH H . H 8 HOH 77 1116 1116 HOH HOH H . H 8 HOH 78 1117 1117 HOH HOH H . H 8 HOH 79 1118 1118 HOH HOH H . H 8 HOH 80 1119 1119 HOH HOH H . H 8 HOH 81 1120 1120 HOH HOH H . H 8 HOH 82 1121 1121 HOH HOH H . H 8 HOH 83 1122 1122 HOH HOH H . H 8 HOH 84 1123 1123 HOH HOH H . H 8 HOH 85 1124 1124 HOH HOH H . H 8 HOH 86 1125 1125 HOH HOH H . H 8 HOH 87 1127 1127 HOH HOH H . H 8 HOH 88 1128 1128 HOH HOH H . H 8 HOH 89 1129 1129 HOH HOH H . H 8 HOH 90 1130 1130 HOH HOH H . H 8 HOH 91 1131 1131 HOH HOH H . H 8 HOH 92 1133 1133 HOH HOH H . H 8 HOH 93 1134 1134 HOH HOH H . H 8 HOH 94 1137 1137 HOH HOH H . H 8 HOH 95 1138 1138 HOH HOH H . H 8 HOH 96 1140 1140 HOH HOH H . H 8 HOH 97 1141 1141 HOH HOH H . H 8 HOH 98 1142 1142 HOH HOH H . H 8 HOH 99 1143 1143 HOH HOH H . H 8 HOH 100 1146 1146 HOH HOH H . H 8 HOH 101 1147 1147 HOH HOH H . H 8 HOH 102 1148 1148 HOH HOH H . H 8 HOH 103 1149 1149 HOH HOH H . H 8 HOH 104 1150 1150 HOH HOH H . H 8 HOH 105 1151 1151 HOH HOH H . H 8 HOH 106 1152 1152 HOH HOH H . H 8 HOH 107 1153 1153 HOH HOH H . H 8 HOH 108 1154 1154 HOH HOH H . H 8 HOH 109 1156 1156 HOH HOH H . H 8 HOH 110 1157 1157 HOH HOH H . H 8 HOH 111 1158 1158 HOH HOH H . H 8 HOH 112 1161 1161 HOH HOH H . H 8 HOH 113 1162 1162 HOH HOH H . H 8 HOH 114 1163 1163 HOH HOH H . H 8 HOH 115 1164 1164 HOH HOH H . H 8 HOH 116 1166 1166 HOH HOH H . H 8 HOH 117 1170 1170 HOH HOH H . H 8 HOH 118 1171 1171 HOH HOH H . H 8 HOH 119 1173 1173 HOH HOH H . H 8 HOH 120 1176 1176 HOH HOH H . H 8 HOH 121 1178 1178 HOH HOH H . H 8 HOH 122 1181 1181 HOH HOH H . H 8 HOH 123 1182 1182 HOH HOH H . H 8 HOH 124 1183 1183 HOH HOH H . H 8 HOH 125 1184 1184 HOH HOH H . H 8 HOH 126 1185 1185 HOH HOH H . H 8 HOH 127 1187 1187 HOH HOH H . H 8 HOH 128 1189 1189 HOH HOH H . H 8 HOH 129 1192 1192 HOH HOH H . H 8 HOH 130 1193 1193 HOH HOH H . H 8 HOH 131 1194 1194 HOH HOH H . H 8 HOH 132 1195 1195 HOH HOH H . H 8 HOH 133 1196 1196 HOH HOH H . H 8 HOH 134 1198 1198 HOH HOH H . H 8 HOH 135 1199 1199 HOH HOH H . H 8 HOH 136 1201 1201 HOH HOH H . H 8 HOH 137 1202 1202 HOH HOH H . H 8 HOH 138 1204 1204 HOH HOH H . H 8 HOH 139 1205 1205 HOH HOH H . H 8 HOH 140 1207 1207 HOH HOH H . H 8 HOH 141 1208 1208 HOH HOH H . H 8 HOH 142 1209 1209 HOH HOH H . H 8 HOH 143 1211 1211 HOH HOH H . H 8 HOH 144 1213 1213 HOH HOH H . H 8 HOH 145 1214 1214 HOH HOH H . H 8 HOH 146 1215 1215 HOH HOH H . H 8 HOH 147 1216 1216 HOH HOH H . H 8 HOH 148 1218 1218 HOH HOH H . H 8 HOH 149 1219 1219 HOH HOH H . H 8 HOH 150 1221 1221 HOH HOH H . H 8 HOH 151 1222 1222 HOH HOH H . H 8 HOH 152 1224 1224 HOH HOH H . H 8 HOH 153 1227 1227 HOH HOH H . H 8 HOH 154 1228 1228 HOH HOH H . H 8 HOH 155 1229 1229 HOH HOH H . H 8 HOH 156 1230 1230 HOH HOH H . H 8 HOH 157 1232 1232 HOH HOH H . H 8 HOH 158 1233 1233 HOH HOH H . H 8 HOH 159 1234 1234 HOH HOH H . H 8 HOH 160 1235 1235 HOH HOH H . H 8 HOH 161 1236 1236 HOH HOH H . H 8 HOH 162 1237 1237 HOH HOH H . H 8 HOH 163 1238 1238 HOH HOH H . H 8 HOH 164 1240 1240 HOH HOH H . H 8 HOH 165 1241 1241 HOH HOH H . H 8 HOH 166 1242 1242 HOH HOH H . H 8 HOH 167 1243 1243 HOH HOH H . H 8 HOH 168 1244 1244 HOH HOH H . H 8 HOH 169 1245 1245 HOH HOH H . H 8 HOH 170 1247 1247 HOH HOH H . H 8 HOH 171 1248 1248 HOH HOH H . H 8 HOH 172 1249 1249 HOH HOH H . H 8 HOH 173 1251 1251 HOH HOH H . H 8 HOH 174 1252 1252 HOH HOH H . H 8 HOH 175 1253 1253 HOH HOH H . H 8 HOH 176 1254 1254 HOH HOH H . H 8 HOH 177 1255 1255 HOH HOH H . H 8 HOH 178 1256 1256 HOH HOH H . H 8 HOH 179 1258 1258 HOH HOH H . H 8 HOH 180 1259 1259 HOH HOH H . I 8 HOH 1 1033 1033 HOH HOH L . I 8 HOH 2 1035 1035 HOH HOH L . I 8 HOH 3 1051 1051 HOH HOH L . I 8 HOH 4 1060 1060 HOH HOH L . I 8 HOH 5 1087 1087 HOH HOH L . I 8 HOH 6 1091 1091 HOH HOH L . I 8 HOH 7 1144 1144 HOH HOH L . I 8 HOH 8 1155 1155 HOH HOH L . I 8 HOH 9 1159 1159 HOH HOH L . I 8 HOH 10 1160 1160 HOH HOH L . I 8 HOH 11 1167 1167 HOH HOH L . I 8 HOH 12 1169 1169 HOH HOH L . I 8 HOH 13 1172 1172 HOH HOH L . I 8 HOH 14 1175 1175 HOH HOH L . I 8 HOH 15 1186 1186 HOH HOH L . I 8 HOH 16 1190 1190 HOH HOH L . I 8 HOH 17 1191 1191 HOH HOH L . I 8 HOH 18 1197 1197 HOH HOH L . I 8 HOH 19 1200 1200 HOH HOH L . I 8 HOH 20 1206 1206 HOH HOH L . I 8 HOH 21 1217 1217 HOH HOH L . I 8 HOH 22 1225 1225 HOH HOH L . I 8 HOH 23 1226 1226 HOH HOH L . I 8 HOH 24 1239 1239 HOH HOH L . I 8 HOH 25 1260 1260 HOH HOH L . I 8 HOH 26 1262 1262 HOH HOH L . J 8 HOH 1 1022 1022 HOH HOH D . J 8 HOH 2 1030 1030 HOH HOH D . J 8 HOH 3 1036 1036 HOH HOH D . J 8 HOH 4 1037 1037 HOH HOH D . J 8 HOH 5 1041 1041 HOH HOH D . J 8 HOH 6 1052 1052 HOH HOH D . J 8 HOH 7 1058 1058 HOH HOH D . J 8 HOH 8 1059 1059 HOH HOH D . J 8 HOH 9 1062 1062 HOH HOH D . J 8 HOH 10 1065 1065 HOH HOH D . J 8 HOH 11 1067 1067 HOH HOH D . J 8 HOH 12 1072 1072 HOH HOH D . J 8 HOH 13 1074 1074 HOH HOH D . J 8 HOH 14 1088 1088 HOH HOH D . J 8 HOH 15 1093 1093 HOH HOH D . J 8 HOH 16 1100 1100 HOH HOH D . J 8 HOH 17 1126 1126 HOH HOH D . J 8 HOH 18 1132 1132 HOH HOH D . J 8 HOH 19 1135 1135 HOH HOH D . J 8 HOH 20 1136 1136 HOH HOH D . J 8 HOH 21 1139 1139 HOH HOH D . J 8 HOH 22 1145 1145 HOH HOH D . J 8 HOH 23 1165 1165 HOH HOH D . J 8 HOH 24 1168 1168 HOH HOH D . J 8 HOH 25 1174 1174 HOH HOH D . J 8 HOH 26 1177 1177 HOH HOH D . J 8 HOH 27 1179 1179 HOH HOH D . J 8 HOH 28 1180 1180 HOH HOH D . J 8 HOH 29 1188 1188 HOH HOH D . J 8 HOH 30 1203 1203 HOH HOH D . J 8 HOH 31 1210 1210 HOH HOH D . J 8 HOH 32 1212 1212 HOH HOH D . J 8 HOH 33 1220 1220 HOH HOH D . J 8 HOH 34 1223 1223 HOH HOH D . J 8 HOH 35 1231 1231 HOH HOH D . J 8 HOH 36 1246 1246 HOH HOH D . J 8 HOH 37 1250 1250 HOH HOH D . J 8 HOH 38 1257 1257 HOH HOH D . J 8 HOH 39 1261 1261 HOH HOH D . J 8 HOH 40 1264 1264 HOH HOH D . J 8 HOH 41 1265 1265 HOH HOH D . J 8 HOH 42 1266 1266 HOH HOH D . J 8 HOH 43 1267 1267 HOH HOH D . J 8 HOH 44 1268 1268 HOH HOH D . J 8 HOH 45 1269 1269 HOH HOH D . #