data_4DII # _entry.id 4DII # _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 4DII NDB NA1567 RCSB RCSB070371 WWPDB D_1000070371 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 4DIH _pdbx_database_related.details 'The same complex in the presence of Na+ ion' _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4DII _pdbx_database_status.recvd_initial_deposition_date 2012-01-31 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _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.methods_development_category ? _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 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary ;High-resolution structures of two complexes between thrombin and thrombin-binding aptamer shed light on the role of cations in the aptamer inhibitory activity. ; 'Nucleic Acids Res.' 40 8119 8128 2012 NARHAD UK 0305-1048 0389 ? 22669903 10.1093/nar/gks512 1 'Thrombin-aptamer recognition: a revealed ambiguity.' 'Nucleic Acids Res.' 39 7858 7867 2011 NARHAD UK 0305-1048 0389 ? 21715374 10.1093/nar/gkr522 2 'The structure of alpha-thrombin inhibited by a 15-mer single-stranded DNA aptamer.' J.Biol.Chem. 268 17651 17654 1993 JBCHA3 US 0021-9258 0071 ? 8102368 ? 3 'An ambiguous structure of a DNA 15-mer thrombin complex.' 'Acta Crystallogr.,Sect.D' 52 272 282 1996 ABCRE6 DK 0907-4449 0766 ? 15299700 10.1107/S0907444995013977 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Russo Krauss, I.' 1 primary 'Merlino, A.' 2 primary 'Randazzo, A.' 3 primary 'Novellino, E.' 4 primary 'Mazzarella, L.' 5 primary 'Sica, F.' 6 1 'Russo Krauss, I.' 7 1 'Merlino, A.' 8 1 'Giancola, C.' 9 1 'Randazzo, A.' 10 1 'Mazzarella, L.' 11 1 'Sica, F.' 12 2 'Padmanabhan, K.' 13 2 'Padmanabhan, K.P.' 14 2 'Ferrara, J.D.' 15 2 'Sadler, J.E.' 16 2 'Tulinsky, A.' 17 3 'Padmanabhan, K.' 18 3 'Tulinsky, A.' 19 # _cell.entry_id 4DII _cell.length_a 43.369 _cell.length_b 45.299 _cell.length_c 51.519 _cell.angle_alpha 68.97 _cell.angle_beta 86.11 _cell.angle_gamma 69.66 _cell.Z_PDB 1 _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 4DII _symmetry.space_group_name_H-M 'P 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 1 _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 nat Prothrombin 4096.534 1 3.4.21.5 ? 'Light chain (UNP Residues 328-363)' ? 2 polymer nat Prothrombin 29780.219 1 3.4.21.5 ? 'Heavy chain (UNP Residues 364-622)' ? 3 polymer syn 'Thrombin binding aptamer' 4743.051 1 ? ? ? ? 4 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 5 non-polymer syn 'D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide' 453.986 1 ? ? ? ? 6 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 7 non-polymer syn 'SODIUM ION' 22.990 1 ? ? ? ? 8 non-polymer syn 'CHLORIDE ION' 35.453 2 ? ? ? ? 9 non-polymer syn 'POTASSIUM ION' 39.098 1 ? ? ? ? 10 water nat water 18.015 183 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 'Coagulation factor II, Thrombin light chain' 2 'Coagulation factor II, Thrombin heavy chain' # 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 TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR L ? 2 'polypeptide(L)' no no ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; H ? 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 THR n 1 2 PHE n 1 3 GLY n 1 4 SER n 1 5 GLY n 1 6 GLU n 1 7 ALA n 1 8 ASP n 1 9 CYS n 1 10 GLY n 1 11 LEU n 1 12 ARG n 1 13 PRO n 1 14 LEU n 1 15 PHE n 1 16 GLU n 1 17 LYS n 1 18 LYS n 1 19 SER n 1 20 LEU n 1 21 GLU n 1 22 ASP n 1 23 LYS n 1 24 THR n 1 25 GLU n 1 26 ARG n 1 27 GLU n 1 28 LEU n 1 29 LEU n 1 30 GLU n 1 31 SER n 1 32 TYR n 1 33 ILE n 1 34 ASP n 1 35 GLY n 1 36 ARG n 2 1 ILE n 2 2 VAL n 2 3 GLU n 2 4 GLY n 2 5 SER n 2 6 ASP n 2 7 ALA n 2 8 GLU n 2 9 ILE n 2 10 GLY n 2 11 MET n 2 12 SER n 2 13 PRO n 2 14 TRP n 2 15 GLN n 2 16 VAL n 2 17 MET n 2 18 LEU n 2 19 PHE n 2 20 ARG n 2 21 LYS n 2 22 SER n 2 23 PRO n 2 24 GLN n 2 25 GLU n 2 26 LEU n 2 27 LEU n 2 28 CYS n 2 29 GLY n 2 30 ALA n 2 31 SER n 2 32 LEU n 2 33 ILE n 2 34 SER n 2 35 ASP n 2 36 ARG n 2 37 TRP n 2 38 VAL n 2 39 LEU n 2 40 THR n 2 41 ALA n 2 42 ALA n 2 43 HIS n 2 44 CYS n 2 45 LEU n 2 46 LEU n 2 47 TYR n 2 48 PRO n 2 49 PRO n 2 50 TRP n 2 51 ASP n 2 52 LYS n 2 53 ASN n 2 54 PHE n 2 55 THR n 2 56 GLU n 2 57 ASN n 2 58 ASP n 2 59 LEU n 2 60 LEU n 2 61 VAL n 2 62 ARG n 2 63 ILE n 2 64 GLY n 2 65 LYS n 2 66 HIS n 2 67 SER n 2 68 ARG n 2 69 THR n 2 70 ARG n 2 71 TYR n 2 72 GLU n 2 73 ARG n 2 74 ASN n 2 75 ILE n 2 76 GLU n 2 77 LYS n 2 78 ILE n 2 79 SER n 2 80 MET n 2 81 LEU n 2 82 GLU n 2 83 LYS n 2 84 ILE n 2 85 TYR n 2 86 ILE n 2 87 HIS n 2 88 PRO n 2 89 ARG n 2 90 TYR n 2 91 ASN n 2 92 TRP n 2 93 ARG n 2 94 GLU n 2 95 ASN n 2 96 LEU n 2 97 ASP n 2 98 ARG n 2 99 ASP n 2 100 ILE n 2 101 ALA n 2 102 LEU n 2 103 MET n 2 104 LYS n 2 105 LEU n 2 106 LYS n 2 107 LYS n 2 108 PRO n 2 109 VAL n 2 110 ALA n 2 111 PHE n 2 112 SER n 2 113 ASP n 2 114 TYR n 2 115 ILE n 2 116 HIS n 2 117 PRO n 2 118 VAL n 2 119 CYS n 2 120 LEU n 2 121 PRO n 2 122 ASP n 2 123 ARG n 2 124 GLU n 2 125 THR n 2 126 ALA n 2 127 ALA n 2 128 SER n 2 129 LEU n 2 130 LEU n 2 131 GLN n 2 132 ALA n 2 133 GLY n 2 134 TYR n 2 135 LYS n 2 136 GLY n 2 137 ARG n 2 138 VAL n 2 139 THR n 2 140 GLY n 2 141 TRP n 2 142 GLY n 2 143 ASN n 2 144 LEU n 2 145 LYS n 2 146 GLU n 2 147 THR n 2 148 TRP n 2 149 THR n 2 150 ALA n 2 151 ASN n 2 152 VAL n 2 153 GLY n 2 154 LYS n 2 155 GLY n 2 156 GLN n 2 157 PRO n 2 158 SER n 2 159 VAL n 2 160 LEU n 2 161 GLN n 2 162 VAL n 2 163 VAL n 2 164 ASN n 2 165 LEU n 2 166 PRO n 2 167 ILE n 2 168 VAL n 2 169 GLU n 2 170 ARG n 2 171 PRO n 2 172 VAL n 2 173 CYS n 2 174 LYS n 2 175 ASP n 2 176 SER n 2 177 THR n 2 178 ARG n 2 179 ILE n 2 180 ARG n 2 181 ILE n 2 182 THR n 2 183 ASP n 2 184 ASN n 2 185 MET n 2 186 PHE n 2 187 CYS n 2 188 ALA n 2 189 GLY n 2 190 TYR n 2 191 LYS n 2 192 PRO n 2 193 ASP n 2 194 GLU n 2 195 GLY n 2 196 LYS n 2 197 ARG n 2 198 GLY n 2 199 ASP n 2 200 ALA n 2 201 CYS n 2 202 GLU n 2 203 GLY n 2 204 ASP n 2 205 SER n 2 206 GLY n 2 207 GLY n 2 208 PRO n 2 209 PHE n 2 210 VAL n 2 211 MET n 2 212 LYS n 2 213 SER n 2 214 PRO n 2 215 PHE n 2 216 ASN n 2 217 ASN n 2 218 ARG n 2 219 TRP n 2 220 TYR n 2 221 GLN n 2 222 MET n 2 223 GLY n 2 224 ILE n 2 225 VAL n 2 226 SER n 2 227 TRP n 2 228 GLY n 2 229 GLU n 2 230 GLY n 2 231 CYS n 2 232 ASP n 2 233 ARG n 2 234 ASP n 2 235 GLY n 2 236 LYS n 2 237 TYR n 2 238 GLY n 2 239 PHE n 2 240 TYR n 2 241 THR n 2 242 HIS n 2 243 VAL n 2 244 PHE n 2 245 ARG n 2 246 LEU n 2 247 LYS n 2 248 LYS n 2 249 TRP n 2 250 ILE n 2 251 GLN n 2 252 LYS n 2 253 VAL n 2 254 ILE n 2 255 ASP n 2 256 GLN n 2 257 PHE n 2 258 GLY n 2 259 GLU 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_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_alt_source_flag _entity_src_nat.pdbx_beg_seq_num _entity_src_nat.pdbx_end_seq_num _entity_src_nat.common_name _entity_src_nat.pdbx_organism_scientific _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.genus _entity_src_nat.species _entity_src_nat.strain _entity_src_nat.tissue _entity_src_nat.tissue_fraction _entity_src_nat.pdbx_secretion _entity_src_nat.pdbx_fragment _entity_src_nat.pdbx_variant _entity_src_nat.pdbx_cell_line _entity_src_nat.pdbx_atcc _entity_src_nat.pdbx_cellular_location _entity_src_nat.pdbx_organ _entity_src_nat.pdbx_organelle _entity_src_nat.pdbx_cell _entity_src_nat.pdbx_plasmid_name _entity_src_nat.pdbx_plasmid_details _entity_src_nat.details 1 1 sample ? ? human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample ? ? human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # _pdbx_entity_src_syn.entity_id 3 _pdbx_entity_src_syn.pdbx_src_id 1 _pdbx_entity_src_syn.pdbx_alt_source_flag sample _pdbx_entity_src_syn.pdbx_beg_seq_num ? _pdbx_entity_src_syn.pdbx_end_seq_num ? _pdbx_entity_src_syn.organism_scientific 'Synthetic DNA' _pdbx_entity_src_syn.organism_common_name ? _pdbx_entity_src_syn.ncbi_taxonomy_id 32630 _pdbx_entity_src_syn.details ? # 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 TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR 328 ? 2 UNP THRB_HUMAN P00734 2 ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; 364 ? 3 PDB 4DII 4DII 3 GGTTGGTGTGGTTGG 1 ? # 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 4DII L 1 ? 36 ? P00734 328 ? 363 ? -5 17 2 2 4DII H 1 ? 259 ? P00734 364 ? 622 ? 16 247 3 3 4DII D 1 ? 15 ? 4DII 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 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 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 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 4DII _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.29 _exptl_crystal.density_percent_sol 46.26 _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 7.4 _exptl_crystal_grow.pdbx_details ;10-15% w/v polyethylene glycol 8000, 0.05 M zinc acetate, 0.1 M sodium cacodylate , pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K ; _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 100.0 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'RIGAKU SATURN 944' _diffrn_detector.pdbx_collection_date 2009-12-10 _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 _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.5418 # _reflns.entry_id 4DII _reflns.observed_criterion_sigma_I 0.000 _reflns.observed_criterion_sigma_F 0.000 _reflns.d_resolution_low 50.00 _reflns.d_resolution_high 2.05 _reflns.number_obs 20850 _reflns.number_all 20850 _reflns.percent_possible_obs 94.5 _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 2.05 _reflns_shell.d_res_low 2.12 _reflns_shell.percent_possible_all 84.5 _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_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 4DII _refine.ls_number_reflns_obs 19447 _refine.ls_number_reflns_all 21478 _refine.pdbx_ls_sigma_I 0.00 _refine.pdbx_ls_sigma_F 0.00 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 50.00 _refine.ls_d_res_high 2.05 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs 0.195 _refine.ls_R_factor_all 0.195 _refine.ls_R_factor_R_work 0.174 _refine.ls_R_factor_R_free 0.226 _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 18499 _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 'PDB ENTRY 3QLP AND 1HAO' _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 ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.pdbx_overall_phase_error ? _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_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _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 2247 _refine_hist.pdbx_number_atoms_nucleic_acid 315 _refine_hist.pdbx_number_atoms_ligand 50 _refine_hist.number_atoms_solvent 183 _refine_hist.number_atoms_total 2795 _refine_hist.d_res_high 2.05 _refine_hist.d_res_low 50.00 # _struct.entry_id 4DII _struct.title 'X-ray structure of the complex between human alpha thrombin and thrombin binding aptamer in the presence of potassium ions' _struct.pdbx_descriptor 'Prothrombin (E.C.3.4.21.5)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4DII _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR/DNA' _struct_keywords.text ;protein-DNA complex, serine protease, blood coagulation, aptamer, hydrolase-hydrolase inhibitor-DNA complex, serine protease fold, DNA aptamer, blood, G-quadruplex ; # 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 4 ? I N N 8 ? J N N 8 ? K N N 9 ? L N N 10 ? M N N 10 ? N N N 10 ? # _struct_biol.id 1 _struct_biol.details '1:1 protein-DNA aptamer complex' # 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 PHE A 15 ? SER A 19 ? PHE L 7 SER L 11 5 ? 5 HELX_P HELX_P2 2 THR A 24 B TYR A 32 J THR L 14 TYR L 14 1 ? 9 HELX_P HELX_P3 3 ALA B 41 ? LEU B 45 ? ALA H 55 LEU H 59 1 ? 5 HELX_P HELX_P4 4 PRO B 48 B ASP B 51 E PRO H 60 ASP H 60 5 ? 4 HELX_P HELX_P5 5 THR B 55 I ASN B 57 ? THR H 60 ASN H 62 5 ? 3 HELX_P HELX_P6 6 ASP B 122 ? LEU B 130 ? ASP H 125 LEU H 130 1 ? 9 HELX_P HELX_P7 7 GLU B 169 ? SER B 176 ? GLU H 164 SER H 171 1 ? 8 HELX_P HELX_P8 8 LEU B 246 ? GLY B 258 ? LEU H 234 GLY H 246 1 ? 13 # _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 9 SG ? ? ? 1_555 B CYS 119 SG ? ? L CYS 1 H CYS 122 1_555 ? ? ? ? ? ? ? 2.073 ? disulf2 disulf ? ? B CYS 28 SG ? ? ? 1_555 B CYS 44 SG ? ? H CYS 42 H CYS 58 1_555 ? ? ? ? ? ? ? 2.044 ? disulf3 disulf ? ? B CYS 173 SG ? ? ? 1_555 B CYS 187 SG ? ? H CYS 168 H CYS 182 1_555 ? ? ? ? ? ? ? 2.031 ? disulf4 disulf ? ? B CYS 201 SG ? ? ? 1_555 B CYS 231 SG ? ? H CYS 191 H CYS 220 1_555 ? ? ? ? ? ? ? 2.038 ? covale1 covale ? ? B ASN 53 ND2 ? G ? 1_555 F NAG . C1 ? ? H ASN 60 H NAG 302 1_555 ? ? ? ? ? ? ? 1.447 ? covale2 covale ? ? B SER 205 OG ? ? ? 1_555 E 0G6 . C2 ? ? H SER 195 H 0G6 301 1_555 ? ? ? ? ? ? ? 1.360 ? covale3 covale ? ? B HIS 43 NE2 ? ? ? 1_555 E 0G6 . C3 ? ? H HIS 57 H 0G6 301 1_555 ? ? ? ? ? ? ? 1.395 ? metalc1 metalc ? ? A ASP 8 OD1 ? A ? 1_555 D ZN . ZN ? ? L ASP 1 L ZN 101 1_555 ? ? ? ? ? ? ? 1.920 ? metalc2 metalc ? ? B HIS 116 NE2 ? ? ? 1_555 D ZN . ZN ? ? H HIS 119 L ZN 101 1_555 ? ? ? ? ? ? ? 2.179 ? metalc3 metalc ? ? B ASP 51 OD1 ? E ? 1_555 H ZN . ZN ? ? H ASP 60 H ZN 304 1_555 ? ? ? ? ? ? ? 2.208 ? metalc4 metalc ? ? B ARG 233 O ? ? ? 1_555 G NA . NA ? ? H ARG 221 H NA 303 1_555 ? ? ? ? ? ? ? 2.541 ? metalc5 metalc ? ? G NA . NA ? ? ? 1_555 M HOH . O ? ? H NA 303 H HOH 418 1_555 ? ? ? ? ? ? ? 2.542 ? metalc6 metalc ? ? B ASP 51 OD2 ? E ? 1_555 H ZN . ZN ? ? H ASP 60 H ZN 304 1_555 ? ? ? ? ? ? ? 2.587 ? metalc7 metalc ? ? G NA . NA ? ? ? 1_555 M HOH . O ? ? H NA 303 H HOH 464 1_555 ? ? ? ? ? ? ? 2.599 ? metalc8 metalc ? ? B LYS 236 O ? ? ? 1_555 G NA . NA ? ? H LYS 224 H NA 303 1_555 ? ? ? ? ? ? ? 2.676 ? metalc9 metalc ? ? C DG 1 O6 ? ? ? 1_555 K K . K ? ? D DG 1 D K 101 1_555 ? ? ? ? ? ? ? 2.689 ? metalc10 metalc ? ? C DG 14 O6 ? ? ? 1_555 K K . K ? ? D DG 14 D K 101 1_555 ? ? ? ? ? ? ? 2.714 ? metalc11 metalc ? ? C DG 5 O6 ? ? ? 1_555 K K . K ? ? D DG 5 D K 101 1_555 ? ? ? ? ? ? ? 2.726 ? metalc12 metalc ? ? C DG 15 O6 ? ? ? 1_555 K K . K ? ? D DG 15 D K 101 1_555 ? ? ? ? ? ? ? 2.807 ? metalc13 metalc ? ? C DG 11 O6 ? ? ? 1_555 K K . K ? ? D DG 11 D K 101 1_555 ? ? ? ? ? ? ? 2.820 ? metalc14 metalc ? ? C DG 10 O6 ? ? ? 1_555 K K . K ? ? D DG 10 D K 101 1_555 ? ? ? ? ? ? ? 2.901 ? metalc15 metalc ? ? C DG 6 O6 ? ? ? 1_555 K K . K ? ? D DG 6 D K 101 1_555 ? ? ? ? ? ? ? 2.924 ? metalc16 metalc ? ? C DG 2 O6 ? ? ? 1_555 K K . K ? ? D DG 2 D K 101 1_555 ? ? ? ? ? ? ? 2.951 ? 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 DG 5 N7 ? ? ? 1_555 C DG 11 N2 ? ? D DG 5 D DG 11 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog10 hydrog ? ? C DG 5 O6 ? ? ? 1_555 C DG 11 N1 ? ? D DG 5 D DG 11 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog11 hydrog ? ? C DG 6 N1 ? ? ? 1_555 C DG 10 O6 ? ? D DG 6 D DG 10 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog12 hydrog ? ? C DG 6 N2 ? ? ? 1_555 C DG 10 N7 ? ? D DG 6 D DG 10 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog13 hydrog ? ? C DG 10 N1 ? ? ? 1_555 C DG 15 O6 ? ? D DG 10 D DG 15 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog14 hydrog ? ? C DG 10 N2 ? ? ? 1_555 C DG 15 N7 ? ? D DG 10 D DG 15 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog15 hydrog ? ? C DG 11 N7 ? ? ? 1_555 C DG 14 N2 ? ? D DG 11 D DG 14 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog16 hydrog ? ? C DG 11 O6 ? ? ? 1_555 C DG 14 N1 ? ? D DG 11 D DG 14 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? hydrog17 hydrog ? ? C DT 13 O2 ? ? ? 1_555 C DG 14 N1 ? ? D DT 13 D DG 14 1_555 ? ? ? ? ? ? 'DT-DG MISPAIR' ? ? # 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 B _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 B _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 0.10 # 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 B 5 ? ASP B 6 ? SER H 20 ASP H 21 A 2 GLN B 161 ? PRO B 166 ? GLN H 156 PRO H 161 A 3 LYS B 135 ? GLY B 140 ? LYS H 135 GLY H 140 A 4 PRO B 208 ? LYS B 212 ? PRO H 198 LYS H 202 A 5 TRP B 219 ? TRP B 227 ? TRP H 207 TRP H 215 A 6 GLY B 238 ? HIS B 242 ? GLY H 226 HIS H 230 A 7 MET B 185 ? ALA B 188 ? MET H 180 ALA H 183 B 1 GLN B 15 ? ARG B 20 ? GLN H 30 ARG H 35 B 2 GLU B 25 ? LEU B 32 ? GLU H 39 LEU H 46 B 3 TRP B 37 ? THR B 40 ? TRP H 51 THR H 54 B 4 ALA B 101 ? LEU B 105 ? ALA H 104 LEU H 108 B 5 LYS B 77 ? ILE B 86 ? LYS H 81 ILE H 90 B 6 LEU B 59 ? ILE B 63 ? LEU H 64 ILE H 68 B 7 GLN B 15 ? ARG B 20 ? GLN H 30 ARG H 35 C 1 LEU B 46 ? TYR B 47 A LEU H 60 TYR H 60 C 2 LYS B 52 F ASN B 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 B 5 ? N SER H 20 O VAL B 162 ? O VAL H 157 A 2 3 O LEU B 165 ? O LEU H 160 N GLY B 136 ? N GLY H 136 A 3 4 N ARG B 137 ? N ARG H 137 O VAL B 210 ? O VAL H 200 A 4 5 N MET B 211 ? N MET H 201 O TYR B 220 ? O TYR H 208 A 5 6 N TRP B 227 ? N TRP H 215 O PHE B 239 ? O PHE H 227 A 6 7 O TYR B 240 ? O TYR H 228 N PHE B 186 ? N PHE H 181 B 1 2 N ARG B 20 ? N ARG H 35 O GLU B 25 ? O GLU H 39 B 2 3 N SER B 31 ? N SER H 45 O LEU B 39 ? O LEU H 53 B 3 4 N VAL B 38 ? N VAL H 52 O MET B 103 ? O MET H 106 B 4 5 O LEU B 102 ? O LEU H 105 N TYR B 85 ? N TYR H 89 B 5 6 O SER B 79 ? O SER H 83 N VAL B 61 ? N VAL H 66 B 6 7 O LEU B 60 ? O LEU H 65 N PHE B 19 ? N PHE H 34 C 1 2 N TYR B 47 A N TYR H 60 O LYS B 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 ? ? ? ? 3 'BINDING SITE FOR RESIDUE ZN L 101' AC2 Software ? ? ? ? 22 'BINDING SITE FOR RESIDUE 0G6 H 301' AC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG H 302' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NA H 303' AC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN H 304' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE CL H 305' AC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE CL H 306' AC8 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE K D 101' # 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 3 HIS B 116 ? HIS H 119 . ? 1_555 ? 2 AC1 3 ASP B 234 ? ASP H 222 . ? 1_545 ? 3 AC1 3 ASP A 8 A ASP L 1 . ? 1_555 ? 4 AC2 22 HIS B 43 ? HIS H 57 . ? 1_555 ? 5 AC2 22 TYR B 47 A TYR H 60 . ? 1_555 ? 6 AC2 22 TRP B 50 D TRP H 60 . ? 1_555 ? 7 AC2 22 LEU B 96 ? LEU H 99 . ? 1_555 ? 8 AC2 22 ASP B 199 ? ASP H 189 . ? 1_555 ? 9 AC2 22 ALA B 200 ? ALA H 190 . ? 1_555 ? 10 AC2 22 GLY B 203 ? GLY H 193 . ? 1_555 ? 11 AC2 22 ASP B 204 ? ASP H 194 . ? 1_555 ? 12 AC2 22 SER B 205 ? SER H 195 . ? 1_555 ? 13 AC2 22 SER B 226 ? SER H 214 . ? 1_555 ? 14 AC2 22 TRP B 227 ? TRP H 215 . ? 1_555 ? 15 AC2 22 GLY B 228 ? GLY H 216 . ? 1_555 ? 16 AC2 22 GLY B 230 ? GLY H 219 . ? 1_555 ? 17 AC2 22 GLY B 238 ? GLY H 226 . ? 1_555 ? 18 AC2 22 HOH M . ? HOH H 405 . ? 1_555 ? 19 AC2 22 HOH M . ? HOH H 409 . ? 1_555 ? 20 AC2 22 HOH M . ? HOH H 445 . ? 1_555 ? 21 AC2 22 HOH M . ? HOH H 470 . ? 1_555 ? 22 AC2 22 HOH M . ? HOH H 480 . ? 1_555 ? 23 AC2 22 HOH M . ? HOH H 490 . ? 1_555 ? 24 AC2 22 HOH M . ? HOH H 534 . ? 1_555 ? 25 AC2 22 HOH M . ? HOH H 536 . ? 1_555 ? 26 AC3 2 DT C 7 ? DT D 7 . ? 1_564 ? 27 AC3 2 ASN B 53 G ASN H 60 . ? 1_555 ? 28 AC4 5 ARG B 233 ? ARG H 221 . ? 1_555 ? 29 AC4 5 ASP B 232 A ASP H 221 . ? 1_555 ? 30 AC4 5 LYS B 236 ? LYS H 224 . ? 1_555 ? 31 AC4 5 HOH M . ? HOH H 418 . ? 1_555 ? 32 AC4 5 HOH M . ? HOH H 464 . ? 1_555 ? 33 AC5 4 ASP B 51 E ASP H 60 . ? 1_555 ? 34 AC5 4 ASP B 122 ? ASP H 125 . ? 1_655 ? 35 AC5 4 CL I . ? CL H 305 . ? 1_555 ? 36 AC5 4 CL J . ? CL H 306 . ? 1_555 ? 37 AC6 3 TYR B 220 ? TYR H 208 . ? 1_655 ? 38 AC6 3 ZN H . ? ZN H 304 . ? 1_555 ? 39 AC6 3 HOH M . ? HOH H 462 . ? 1_555 ? 40 AC7 3 ASP B 51 E ASP H 60 . ? 1_555 ? 41 AC7 3 ZN H . ? ZN H 304 . ? 1_555 ? 42 AC7 3 HOH M . ? HOH H 462 . ? 1_555 ? 43 AC8 8 DG C 1 ? DG D 1 . ? 1_555 ? 44 AC8 8 DG C 2 ? DG D 2 . ? 1_555 ? 45 AC8 8 DG C 5 ? DG D 5 . ? 1_555 ? 46 AC8 8 DG C 6 ? DG D 6 . ? 1_555 ? 47 AC8 8 DG C 10 ? DG D 10 . ? 1_555 ? 48 AC8 8 DG C 11 ? DG D 11 . ? 1_555 ? 49 AC8 8 DG C 14 ? DG D 14 . ? 1_555 ? 50 AC8 8 DG C 15 ? DG D 15 . ? 1_555 ? # _database_PDB_matrix.entry_id 4DII _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 4DII _atom_sites.fract_transf_matrix[1][1] 0.023058 _atom_sites.fract_transf_matrix[1][2] -0.008548 _atom_sites.fract_transf_matrix[1][3] 0.001602 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.023544 _atom_sites.fract_transf_matrix[2][3] -0.009038 _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] 0.020840 _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 CL K N NA O P S ZN # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ALA A 1 7 B -15.695 -1.554 6.372 1.00 41.21 ? 1 ALA L N 1 ATOM 2 C CA . ALA A 1 7 B -14.479 -2.253 6.916 1.00 39.77 ? 1 ALA L CA 1 ATOM 3 C C . ALA A 1 7 B -14.293 -2.001 8.428 1.00 38.32 ? 1 ALA L C 1 ATOM 4 O O . ALA A 1 7 B -14.948 -1.130 9.026 1.00 36.69 ? 1 ALA L O 1 ATOM 5 C CB . ALA A 1 7 B -13.215 -1.804 6.154 1.00 41.52 ? 1 ALA L CB 1 ATOM 6 N N . ASP A 1 8 A -13.424 -2.797 9.046 1.00 35.73 ? 1 ASP L N 1 ATOM 7 C CA . ASP A 1 8 A -13.177 -2.618 10.485 1.00 33.81 ? 1 ASP L CA 1 ATOM 8 C C . ASP A 1 8 A -12.001 -1.620 10.618 1.00 32.24 ? 1 ASP L C 1 ATOM 9 O O . ASP A 1 8 A -10.833 -2.022 10.689 1.00 34.25 ? 1 ASP L O 1 ATOM 10 C CB . ASP A 1 8 A -12.875 -3.996 11.151 1.00 31.58 ? 1 ASP L CB 1 ATOM 11 C CG . ASP A 1 8 A -12.568 -3.887 12.648 1.00 31.54 ? 1 ASP L CG 1 ATOM 12 O OD1 . ASP A 1 8 A -12.055 -4.864 13.277 1.00 26.38 ? 1 ASP L OD1 1 ATOM 13 O OD2 . ASP A 1 8 A -12.849 -2.810 13.206 1.00 29.72 ? 1 ASP L OD2 1 ATOM 14 N N . CYS A 1 9 ? -12.316 -0.326 10.618 1.00 28.93 ? 1 CYS L N 1 ATOM 15 C CA . CYS A 1 9 ? -11.289 0.726 10.742 1.00 27.36 ? 1 CYS L CA 1 ATOM 16 C C . CYS A 1 9 ? -11.878 1.927 11.422 1.00 26.64 ? 1 CYS L C 1 ATOM 17 O O . CYS A 1 9 ? -13.090 2.140 11.365 1.00 23.54 ? 1 CYS L O 1 ATOM 18 C CB . CYS A 1 9 ? -10.776 1.232 9.356 1.00 25.67 ? 1 CYS L CB 1 ATOM 19 S SG . CYS A 1 9 ? -12.048 2.041 8.281 1.00 27.05 ? 1 CYS L SG 1 ATOM 20 N N . GLY A 1 10 ? -11.001 2.730 12.025 1.00 25.86 ? 2 GLY L N 1 ATOM 21 C CA . GLY A 1 10 ? -11.452 3.973 12.611 1.00 26.78 ? 2 GLY L CA 1 ATOM 22 C C . GLY A 1 10 ? -12.288 3.940 13.868 1.00 26.67 ? 2 GLY L C 1 ATOM 23 O O . GLY A 1 10 ? -12.681 5.016 14.337 1.00 27.19 ? 2 GLY L O 1 ATOM 24 N N . LEU A 1 11 ? -12.565 2.742 14.404 1.00 26.03 ? 3 LEU L N 1 ATOM 25 C CA . LEU A 1 11 ? -13.308 2.631 15.650 1.00 27.17 ? 3 LEU L CA 1 ATOM 26 C C . LEU A 1 11 ? -12.398 2.015 16.698 1.00 26.12 ? 3 LEU L C 1 ATOM 27 O O . LEU A 1 11 ? -11.951 0.885 16.552 1.00 25.20 ? 3 LEU L O 1 ATOM 28 C CB . LEU A 1 11 ? -14.534 1.729 15.482 1.00 28.90 ? 3 LEU L CB 1 ATOM 29 C CG . LEU A 1 11 ? -15.518 2.278 14.455 1.00 31.73 ? 3 LEU L CG 1 ATOM 30 C CD1 . LEU A 1 11 ? -16.715 1.299 14.350 1.00 30.62 ? 3 LEU L CD1 1 ATOM 31 C CD2 . LEU A 1 11 ? -15.948 3.722 14.819 1.00 30.96 ? 3 LEU L CD2 1 ATOM 32 N N . ARG A 1 12 ? -12.156 2.733 17.773 1.00 24.58 ? 4 ARG L N 1 ATOM 33 C CA . ARG A 1 12 ? -11.264 2.229 18.810 1.00 24.32 ? 4 ARG L CA 1 ATOM 34 C C . ARG A 1 12 ? -11.969 1.408 19.866 1.00 26.08 ? 4 ARG L C 1 ATOM 35 O O . ARG A 1 12 ? -12.983 1.850 20.424 1.00 27.24 ? 4 ARG L O 1 ATOM 36 C CB . ARG A 1 12 ? -10.589 3.429 19.459 1.00 23.82 ? 4 ARG L CB 1 ATOM 37 C CG . ARG A 1 12 ? -9.969 4.360 18.458 1.00 21.99 ? 4 ARG L CG 1 ATOM 38 C CD . ARG A 1 12 ? -9.535 5.735 19.128 1.00 24.21 ? 4 ARG L CD 1 ATOM 39 N NE . ARG A 1 12 ? -10.691 6.499 19.573 1.00 23.73 ? 4 ARG L NE 1 ATOM 40 C CZ . ARG A 1 12 ? -10.632 7.705 20.148 1.00 26.88 ? 4 ARG L CZ 1 ATOM 41 N NH1 . ARG A 1 12 ? -9.439 8.306 20.356 1.00 23.78 ? 4 ARG L NH1 1 ATOM 42 N NH2 . ARG A 1 12 ? -11.765 8.328 20.498 1.00 25.11 ? 4 ARG L NH2 1 ATOM 43 N N . PRO A 1 13 ? -11.470 0.194 20.152 1.00 27.34 ? 5 PRO L N 1 ATOM 44 C CA . PRO A 1 13 ? -12.045 -0.707 21.155 1.00 28.52 ? 5 PRO L CA 1 ATOM 45 C C . PRO A 1 13 ? -12.243 -0.068 22.552 1.00 29.29 ? 5 PRO L C 1 ATOM 46 O O . PRO A 1 13 ? -13.260 -0.284 23.215 1.00 28.51 ? 5 PRO L O 1 ATOM 47 C CB . PRO A 1 13 ? -11.033 -1.852 21.196 1.00 28.50 ? 5 PRO L CB 1 ATOM 48 C CG . PRO A 1 13 ? -10.704 -2.019 19.769 1.00 28.00 ? 5 PRO L CG 1 ATOM 49 C CD . PRO A 1 13 ? -10.449 -0.532 19.366 1.00 30.80 ? 5 PRO L CD 1 ATOM 50 N N . LEU A 1 14 ? -11.280 0.743 22.966 1.00 27.79 ? 6 LEU L N 1 ATOM 51 C CA . LEU A 1 14 ? -11.365 1.355 24.268 1.00 28.16 ? 6 LEU L CA 1 ATOM 52 C C . LEU A 1 14 ? -12.125 2.663 24.265 1.00 27.46 ? 6 LEU L C 1 ATOM 53 O O . LEU A 1 14 ? -12.335 3.219 25.310 1.00 28.11 ? 6 LEU L O 1 ATOM 54 C CB . LEU A 1 14 ? -9.967 1.513 24.863 1.00 26.56 ? 6 LEU L CB 1 ATOM 55 C CG . LEU A 1 14 ? -9.323 0.387 25.733 1.00 31.45 ? 6 LEU L CG 1 ATOM 56 C CD1 . LEU A 1 14 ? -10.011 -1.004 25.581 1.00 32.07 ? 6 LEU L CD1 1 ATOM 57 C CD2 . LEU A 1 14 ? -7.830 0.295 25.414 1.00 29.99 ? 6 LEU L CD2 1 ATOM 58 N N . PHE A 1 15 ? -12.574 3.155 23.113 1.00 28.19 ? 7 PHE L N 1 ATOM 59 C CA . PHE A 1 15 ? -13.338 4.396 23.132 1.00 28.01 ? 7 PHE L CA 1 ATOM 60 C C . PHE A 1 15 ? -14.695 4.275 22.437 1.00 29.15 ? 7 PHE L C 1 ATOM 61 O O . PHE A 1 15 ? -15.730 4.056 23.109 1.00 29.18 ? 7 PHE L O 1 ATOM 62 C CB . PHE A 1 15 ? -12.483 5.564 22.583 1.00 26.13 ? 7 PHE L CB 1 ATOM 63 C CG . PHE A 1 15 ? -11.323 5.909 23.478 1.00 26.43 ? 7 PHE L CG 1 ATOM 64 C CD1 . PHE A 1 15 ? -11.507 6.727 24.585 1.00 26.86 ? 7 PHE L CD1 1 ATOM 65 C CD2 . PHE A 1 15 ? -10.078 5.280 23.316 1.00 25.56 ? 7 PHE L CD2 1 ATOM 66 C CE1 . PHE A 1 15 ? -10.488 6.914 25.544 1.00 25.91 ? 7 PHE L CE1 1 ATOM 67 C CE2 . PHE A 1 15 ? -9.050 5.466 24.269 1.00 27.72 ? 7 PHE L CE2 1 ATOM 68 C CZ . PHE A 1 15 ? -9.266 6.285 25.384 1.00 25.01 ? 7 PHE L CZ 1 ATOM 69 N N . GLU A 1 16 ? -14.717 4.387 21.113 1.00 28.77 ? 8 GLU L N 1 ATOM 70 C CA . GLU A 1 16 ? -15.977 4.316 20.413 1.00 29.37 ? 8 GLU L CA 1 ATOM 71 C C . GLU A 1 16 ? -16.751 3.039 20.735 1.00 31.22 ? 8 GLU L C 1 ATOM 72 O O . GLU A 1 16 ? -17.960 3.077 20.904 1.00 29.55 ? 8 GLU L O 1 ATOM 73 C CB . GLU A 1 16 ? -15.784 4.439 18.886 1.00 27.95 ? 8 GLU L CB 1 ATOM 74 C CG . GLU A 1 16 ? -15.402 5.838 18.414 1.00 27.44 ? 8 GLU L CG 1 ATOM 75 C CD . GLU A 1 16 ? -13.935 6.185 18.723 1.00 25.38 ? 8 GLU L CD 1 ATOM 76 O OE1 . GLU A 1 16 ? -13.108 5.244 18.917 1.00 28.05 ? 8 GLU L OE1 1 ATOM 77 O OE2 . GLU A 1 16 ? -13.597 7.393 18.755 1.00 24.81 ? 8 GLU L OE2 1 ATOM 78 N N . LYS A 1 17 ? -16.081 1.902 20.813 1.00 33.30 ? 9 LYS L N 1 ATOM 79 C CA . LYS A 1 17 ? -16.850 0.683 21.119 1.00 36.17 ? 9 LYS L CA 1 ATOM 80 C C . LYS A 1 17 ? -17.439 0.608 22.518 1.00 36.55 ? 9 LYS L C 1 ATOM 81 O O . LYS A 1 17 ? -18.297 -0.215 22.766 1.00 35.95 ? 9 LYS L O 1 ATOM 82 C CB . LYS A 1 17 ? -16.009 -0.561 20.890 1.00 37.37 ? 9 LYS L CB 1 ATOM 83 C CG . LYS A 1 17 ? -16.338 -1.198 19.551 1.00 41.04 ? 9 LYS L CG 1 ATOM 84 C CD . LYS A 1 17 ? -15.982 -0.267 18.419 1.00 41.72 ? 9 LYS L CD 1 ATOM 85 C CE . LYS A 1 17 ? -15.071 -0.974 17.395 1.00 42.47 ? 9 LYS L CE 1 ATOM 86 N NZ . LYS A 1 17 ? -13.757 -1.374 17.965 1.00 38.71 ? 9 LYS L NZ 1 ATOM 87 N N . LYS A 1 18 ? -16.961 1.453 23.427 1.00 37.08 ? 10 LYS L N 1 ATOM 88 C CA . LYS A 1 18 ? -17.456 1.454 24.812 1.00 38.75 ? 10 LYS L CA 1 ATOM 89 C C . LYS A 1 18 ? -18.257 2.707 25.109 1.00 38.59 ? 10 LYS L C 1 ATOM 90 O O . LYS A 1 18 ? -18.646 2.946 26.248 1.00 39.48 ? 10 LYS L O 1 ATOM 91 C CB . LYS A 1 18 ? -16.280 1.365 25.794 1.00 39.79 ? 10 LYS L CB 1 ATOM 92 C CG . LYS A 1 18 ? -15.500 0.038 25.714 1.00 41.86 ? 10 LYS L CG 1 ATOM 93 C CD . LYS A 1 18 ? -14.327 -0.017 26.663 1.00 43.77 ? 10 LYS L CD 1 ATOM 94 C CE . LYS A 1 18 ? -14.733 -0.394 28.088 1.00 45.34 ? 10 LYS L CE 1 ATOM 95 N NZ . LYS A 1 18 ? -13.501 -0.375 28.974 1.00 45.62 ? 10 LYS L NZ 1 ATOM 96 N N . SER A 1 19 ? -18.494 3.488 24.064 1.00 38.07 ? 11 SER L N 1 ATOM 97 C CA . SER A 1 19 ? -19.192 4.747 24.147 1.00 39.28 ? 11 SER L CA 1 ATOM 98 C C . SER A 1 19 ? -18.496 5.753 25.053 1.00 39.88 ? 11 SER L C 1 ATOM 99 O O . SER A 1 19 ? -19.156 6.520 25.791 1.00 38.92 ? 11 SER L O 1 ATOM 100 C CB . SER A 1 19 ? -20.643 4.543 24.597 1.00 41.10 ? 11 SER L CB 1 ATOM 101 O OG . SER A 1 19 ? -21.317 3.730 23.644 1.00 42.62 ? 11 SER L OG 1 ATOM 102 N N . LEU A 1 20 ? -17.165 5.784 24.977 1.00 38.53 ? 12 LEU L N 1 ATOM 103 C CA . LEU A 1 20 ? -16.389 6.738 25.775 1.00 37.87 ? 12 LEU L CA 1 ATOM 104 C C . LEU A 1 20 ? -15.627 7.701 24.870 1.00 36.87 ? 12 LEU L C 1 ATOM 105 O O . LEU A 1 20 ? -15.106 7.297 23.821 1.00 37.01 ? 12 LEU L O 1 ATOM 106 C CB . LEU A 1 20 ? -15.431 5.975 26.694 1.00 38.00 ? 12 LEU L CB 1 ATOM 107 C CG . LEU A 1 20 ? -16.301 4.994 27.488 1.00 40.98 ? 12 LEU L CG 1 ATOM 108 C CD1 . LEU A 1 20 ? -15.511 3.795 27.870 1.00 41.63 ? 12 LEU L CD1 1 ATOM 109 C CD2 . LEU A 1 20 ? -16.920 5.713 28.734 1.00 41.32 ? 12 LEU L CD2 1 ATOM 110 N N . GLU A 1 21 ? -15.588 8.971 25.269 1.00 35.29 ? 13 GLU L N 1 ATOM 111 C CA . GLU A 1 21 ? -14.874 10.025 24.535 1.00 34.78 ? 13 GLU L CA 1 ATOM 112 C C . GLU A 1 21 ? -13.471 10.110 25.067 1.00 32.95 ? 13 GLU L C 1 ATOM 113 O O . GLU A 1 21 ? -13.292 9.840 26.232 1.00 32.52 ? 13 GLU L O 1 ATOM 114 C CB . GLU A 1 21 ? -15.534 11.385 24.754 1.00 35.45 ? 13 GLU L CB 1 ATOM 115 C CG . GLU A 1 21 ? -16.819 11.543 24.005 1.00 41.66 ? 13 GLU L CG 1 ATOM 116 C CD . GLU A 1 21 ? -17.389 12.968 24.027 1.00 46.03 ? 13 GLU L CD 1 ATOM 117 O OE1 . GLU A 1 21 ? -18.481 13.145 23.439 1.00 47.71 ? 13 GLU L OE1 1 ATOM 118 O OE2 . GLU A 1 21 ? -16.762 13.911 24.612 1.00 49.63 ? 13 GLU L OE2 1 ATOM 119 N N . ASP A 1 22 ? -12.466 10.431 24.240 1.00 31.95 ? 14 ASP L N 1 ATOM 120 C CA . ASP A 1 22 ? -11.127 10.600 24.807 1.00 31.40 ? 14 ASP L CA 1 ATOM 121 C C . ASP A 1 22 ? -11.126 12.054 25.348 1.00 31.93 ? 14 ASP L C 1 ATOM 122 O O . ASP A 1 22 ? -12.113 12.773 25.233 1.00 30.50 ? 14 ASP L O 1 ATOM 123 C CB . ASP A 1 22 ? -9.990 10.305 23.782 1.00 31.37 ? 14 ASP L CB 1 ATOM 124 C CG . ASP A 1 22 ? -9.981 11.266 22.554 1.00 32.09 ? 14 ASP L CG 1 ATOM 125 O OD1 . ASP A 1 22 ? -9.866 10.759 21.432 1.00 30.45 ? 14 ASP L OD1 1 ATOM 126 O OD2 . ASP A 1 22 ? -10.050 12.520 22.689 1.00 32.74 ? 14 ASP L OD2 1 ATOM 127 N N . LYS A 1 23 A -10.055 12.495 25.968 1.00 33.87 ? 14 LYS L N 1 ATOM 128 C CA . LYS A 1 23 A -10.065 13.832 26.540 1.00 35.45 ? 14 LYS L CA 1 ATOM 129 C C . LYS A 1 23 A -10.152 15.037 25.639 1.00 35.30 ? 14 LYS L C 1 ATOM 130 O O . LYS A 1 23 A -10.413 16.112 26.123 1.00 36.68 ? 14 LYS L O 1 ATOM 131 C CB . LYS A 1 23 A -8.838 14.019 27.441 1.00 37.75 ? 14 LYS L CB 1 ATOM 132 C CG . LYS A 1 23 A -9.038 13.377 28.794 1.00 42.11 ? 14 LYS L CG 1 ATOM 133 C CD . LYS A 1 23 A -7.925 13.751 29.747 1.00 46.11 ? 14 LYS L CD 1 ATOM 134 C CE . LYS A 1 23 A -6.647 13.008 29.471 1.00 47.76 ? 14 LYS L CE 1 ATOM 135 N NZ . LYS A 1 23 A -5.499 13.686 30.211 1.00 51.17 ? 14 LYS L NZ 1 ATOM 136 N N . THR A 1 24 B -9.927 14.920 24.342 1.00 34.17 ? 14 THR L N 1 ATOM 137 C CA . THR A 1 24 B -9.948 16.157 23.568 1.00 31.49 ? 14 THR L CA 1 ATOM 138 C C . THR A 1 24 B -10.679 16.113 22.245 1.00 31.30 ? 14 THR L C 1 ATOM 139 O O . THR A 1 24 B -10.651 17.110 21.487 1.00 29.01 ? 14 THR L O 1 ATOM 140 C CB . THR A 1 24 B -8.498 16.643 23.305 1.00 31.34 ? 14 THR L CB 1 ATOM 141 O OG1 . THR A 1 24 B -7.803 15.694 22.496 1.00 31.59 ? 14 THR L OG1 1 ATOM 142 C CG2 . THR A 1 24 B -7.739 16.755 24.595 1.00 32.07 ? 14 THR L CG2 1 ATOM 143 N N . GLU A 1 25 C -11.331 14.980 21.954 1.00 29.11 ? 14 GLU L N 1 ATOM 144 C CA . GLU A 1 25 C -12.025 14.876 20.675 1.00 30.61 ? 14 GLU L CA 1 ATOM 145 C C . GLU A 1 25 C -13.158 15.893 20.495 1.00 30.72 ? 14 GLU L C 1 ATOM 146 O O . GLU A 1 25 C -13.512 16.302 19.365 1.00 28.74 ? 14 GLU L O 1 ATOM 147 C CB . GLU A 1 25 C -12.537 13.432 20.459 1.00 28.25 ? 14 GLU L CB 1 ATOM 148 C CG . GLU A 1 25 C -13.457 12.855 21.539 1.00 28.21 ? 14 GLU L CG 1 ATOM 149 C CD . GLU A 1 25 C -13.984 11.470 21.128 1.00 27.30 ? 14 GLU L CD 1 ATOM 150 O OE1 . GLU A 1 25 C -13.458 10.455 21.588 1.00 29.76 ? 14 GLU L OE1 1 ATOM 151 O OE2 . GLU A 1 25 C -14.871 11.416 20.283 1.00 27.29 ? 14 GLU L OE2 1 ATOM 152 N N . ARG A 1 26 D -13.732 16.301 21.626 1.00 33.60 ? 14 ARG L N 1 ATOM 153 C CA . ARG A 1 26 D -14.834 17.291 21.646 1.00 34.81 ? 14 ARG L CA 1 ATOM 154 C C . ARG A 1 26 D -14.410 18.583 20.924 1.00 32.61 ? 14 ARG L C 1 ATOM 155 O O . ARG A 1 26 D -15.199 19.234 20.192 1.00 31.52 ? 14 ARG L O 1 ATOM 156 C CB . ARG A 1 26 D -15.214 17.579 23.110 1.00 37.92 ? 14 ARG L CB 1 ATOM 157 C CG . ARG A 1 26 D -16.109 18.773 23.348 1.00 44.32 ? 14 ARG L CG 1 ATOM 158 C CD . ARG A 1 26 D -16.913 18.586 24.630 1.00 49.08 ? 14 ARG L CD 1 ATOM 159 N NE . ARG A 1 26 D -17.615 17.286 24.610 1.00 53.46 ? 14 ARG L NE 1 ATOM 160 C CZ . ARG A 1 26 D -18.170 16.704 25.676 1.00 54.71 ? 14 ARG L CZ 1 ATOM 161 N NH1 . ARG A 1 26 D -18.115 17.296 26.877 1.00 55.31 ? 14 ARG L NH1 1 ATOM 162 N NH2 . ARG A 1 26 D -18.788 15.528 25.536 1.00 54.75 ? 14 ARG L NH2 1 ATOM 163 N N . GLU A 1 27 E -13.154 18.936 21.141 1.00 30.51 ? 14 GLU L N 1 ATOM 164 C CA . GLU A 1 27 E -12.549 20.104 20.528 1.00 30.85 ? 14 GLU L CA 1 ATOM 165 C C . GLU A 1 27 E -12.613 20.001 18.978 1.00 31.16 ? 14 GLU L C 1 ATOM 166 O O . GLU A 1 27 E -12.812 20.996 18.240 1.00 28.49 ? 14 GLU L O 1 ATOM 167 C CB . GLU A 1 27 E -11.080 20.170 20.975 1.00 31.65 ? 14 GLU L CB 1 ATOM 168 C CG . GLU A 1 27 E -10.386 21.460 20.631 1.00 35.91 ? 14 GLU L CG 1 ATOM 169 C CD . GLU A 1 27 E -8.865 21.418 20.879 1.00 37.82 ? 14 GLU L CD 1 ATOM 170 O OE1 . GLU A 1 27 E -8.386 20.509 21.628 1.00 38.15 ? 14 GLU L OE1 1 ATOM 171 O OE2 . GLU A 1 27 E -8.159 22.307 20.302 1.00 37.77 ? 14 GLU L OE2 1 ATOM 172 N N . LEU A 1 28 F -12.413 18.784 18.478 1.00 29.92 ? 14 LEU L N 1 ATOM 173 C CA . LEU A 1 28 F -12.429 18.570 17.025 1.00 30.46 ? 14 LEU L CA 1 ATOM 174 C C . LEU A 1 28 F -13.856 18.742 16.524 1.00 29.41 ? 14 LEU L C 1 ATOM 175 O O . LEU A 1 28 F -14.123 19.429 15.557 1.00 29.41 ? 14 LEU L O 1 ATOM 176 C CB . LEU A 1 28 F -11.927 17.139 16.701 1.00 28.17 ? 14 LEU L CB 1 ATOM 177 C CG . LEU A 1 28 F -10.545 16.772 17.239 1.00 28.83 ? 14 LEU L CG 1 ATOM 178 C CD1 . LEU A 1 28 F -10.114 15.387 16.680 1.00 27.05 ? 14 LEU L CD1 1 ATOM 179 C CD2 . LEU A 1 28 F -9.542 17.874 16.828 1.00 23.11 ? 14 LEU L CD2 1 ATOM 180 N N . LEU A 1 29 G -14.764 18.048 17.190 1.00 32.81 ? 14 LEU L N 1 ATOM 181 C CA . LEU A 1 29 G -16.188 18.082 16.856 1.00 34.57 ? 14 LEU L CA 1 ATOM 182 C C . LEU A 1 29 G -16.729 19.539 16.825 1.00 35.56 ? 14 LEU L C 1 ATOM 183 O O . LEU A 1 29 G -17.400 19.935 15.867 1.00 35.88 ? 14 LEU L O 1 ATOM 184 C CB . LEU A 1 29 G -16.932 17.161 17.850 1.00 36.12 ? 14 LEU L CB 1 ATOM 185 C CG . LEU A 1 29 G -16.700 15.598 17.754 1.00 41.50 ? 14 LEU L CG 1 ATOM 186 C CD1 . LEU A 1 29 G -15.284 15.205 17.173 1.00 39.68 ? 14 LEU L CD1 1 ATOM 187 C CD2 . LEU A 1 29 G -16.855 14.901 19.152 1.00 42.59 ? 14 LEU L CD2 1 ATOM 188 N N . GLU A 1 30 H -16.374 20.351 17.819 1.00 35.94 ? 14 GLU L N 1 ATOM 189 C CA . GLU A 1 30 H -16.812 21.751 17.863 1.00 36.42 ? 14 GLU L CA 1 ATOM 190 C C . GLU A 1 30 H -16.251 22.609 16.712 1.00 35.38 ? 14 GLU L C 1 ATOM 191 O O . GLU A 1 30 H -16.899 23.530 16.246 1.00 34.83 ? 14 GLU L O 1 ATOM 192 C CB . GLU A 1 30 H -16.413 22.370 19.198 1.00 38.72 ? 14 GLU L CB 1 ATOM 193 C CG . GLU A 1 30 H -17.156 21.802 20.409 1.00 44.86 ? 14 GLU L CG 1 ATOM 194 C CD . GLU A 1 30 H -16.624 22.353 21.761 1.00 49.27 ? 14 GLU L CD 1 ATOM 195 O OE1 . GLU A 1 30 H -16.068 23.482 21.786 1.00 52.49 ? 14 GLU L OE1 1 ATOM 196 O OE2 . GLU A 1 30 H -16.764 21.676 22.818 1.00 50.86 ? 14 GLU L OE2 1 ATOM 197 N N . SER A 1 31 I -15.043 22.332 16.247 1.00 33.60 ? 14 SER L N 1 ATOM 198 C CA . SER A 1 31 I -14.507 23.112 15.157 1.00 33.53 ? 14 SER L CA 1 ATOM 199 C C . SER A 1 31 I -15.370 22.933 13.898 1.00 35.14 ? 14 SER L C 1 ATOM 200 O O . SER A 1 31 I -15.313 23.753 13.005 1.00 35.01 ? 14 SER L O 1 ATOM 201 C CB . SER A 1 31 I -13.048 22.704 14.844 1.00 32.71 ? 14 SER L CB 1 ATOM 202 O OG . SER A 1 31 I -13.005 21.516 14.088 1.00 30.31 ? 14 SER L OG 1 ATOM 203 N N . TYR A 1 32 J -16.154 21.869 13.793 1.00 37.86 ? 14 TYR L N 1 ATOM 204 C CA . TYR A 1 32 J -16.981 21.725 12.592 1.00 42.72 ? 14 TYR L CA 1 ATOM 205 C C . TYR A 1 32 J -18.160 22.736 12.567 1.00 46.01 ? 14 TYR L C 1 ATOM 206 O O . TYR A 1 32 J -18.680 23.100 11.496 1.00 46.99 ? 14 TYR L O 1 ATOM 207 C CB . TYR A 1 32 J -17.560 20.325 12.491 1.00 44.43 ? 14 TYR L CB 1 ATOM 208 C CG . TYR A 1 32 J -16.552 19.223 12.311 1.00 45.10 ? 14 TYR L CG 1 ATOM 209 C CD1 . TYR A 1 32 J -15.541 19.331 11.374 1.00 46.36 ? 14 TYR L CD1 1 ATOM 210 C CD2 . TYR A 1 32 J -16.603 18.070 13.092 1.00 46.25 ? 14 TYR L CD2 1 ATOM 211 C CE1 . TYR A 1 32 J -14.592 18.329 11.227 1.00 46.48 ? 14 TYR L CE1 1 ATOM 212 C CE2 . TYR A 1 32 J -15.667 17.059 12.937 1.00 45.19 ? 14 TYR L CE2 1 ATOM 213 C CZ . TYR A 1 32 J -14.670 17.210 12.014 1.00 45.31 ? 14 TYR L CZ 1 ATOM 214 O OH . TYR A 1 32 J -13.703 16.292 11.908 1.00 45.51 ? 14 TYR L OH 1 ATOM 215 N N . ILE A 1 33 K -18.543 23.214 13.750 1.00 48.03 ? 14 ILE L N 1 ATOM 216 C CA . ILE A 1 33 K -19.663 24.141 13.893 1.00 50.44 ? 14 ILE L CA 1 ATOM 217 C C . ILE A 1 33 K -19.308 25.467 14.579 1.00 50.42 ? 14 ILE L C 1 ATOM 218 O O . ILE A 1 33 K -18.629 26.332 13.994 1.00 51.39 ? 14 ILE L O 1 ATOM 219 C CB . ILE A 1 33 K -20.772 23.423 14.673 1.00 52.05 ? 14 ILE L CB 1 ATOM 220 C CG1 . ILE A 1 33 K -20.244 23.012 16.059 1.00 52.44 ? 14 ILE L CG1 1 ATOM 221 C CG2 . ILE A 1 33 K -21.223 22.201 13.882 1.00 52.31 ? 14 ILE L CG2 1 ATOM 222 C CD1 . ILE A 1 33 K -20.925 21.770 16.676 1.00 54.70 ? 14 ILE L CD1 1 ATOM 223 N N . ILE B 2 1 ? 6.536 16.278 18.665 1.00 24.55 ? 16 ILE H N 1 ATOM 224 C CA . ILE B 2 1 ? 5.292 17.053 18.862 1.00 23.94 ? 16 ILE H CA 1 ATOM 225 C C . ILE B 2 1 ? 5.555 18.199 19.891 1.00 25.62 ? 16 ILE H C 1 ATOM 226 O O . ILE B 2 1 ? 5.910 17.941 21.064 1.00 26.82 ? 16 ILE H O 1 ATOM 227 C CB . ILE B 2 1 ? 4.179 16.173 19.413 1.00 21.46 ? 16 ILE H CB 1 ATOM 228 C CG1 . ILE B 2 1 ? 3.893 14.985 18.429 1.00 22.29 ? 16 ILE H CG1 1 ATOM 229 C CG2 . ILE B 2 1 ? 2.961 17.058 19.806 1.00 21.01 ? 16 ILE H CG2 1 ATOM 230 C CD1 . ILE B 2 1 ? 3.179 15.366 17.099 1.00 25.28 ? 16 ILE H CD1 1 ATOM 231 N N . VAL B 2 2 ? 5.386 19.433 19.442 1.00 25.49 ? 17 VAL H N 1 ATOM 232 C CA . VAL B 2 2 ? 5.640 20.609 20.298 1.00 28.70 ? 17 VAL H CA 1 ATOM 233 C C . VAL B 2 2 ? 4.318 21.059 20.911 1.00 29.10 ? 17 VAL H C 1 ATOM 234 O O . VAL B 2 2 ? 3.333 21.210 20.191 1.00 29.24 ? 17 VAL H O 1 ATOM 235 C CB . VAL B 2 2 ? 6.283 21.771 19.467 1.00 27.58 ? 17 VAL H CB 1 ATOM 236 C CG1 . VAL B 2 2 ? 6.668 22.968 20.392 1.00 29.27 ? 17 VAL H CG1 1 ATOM 237 C CG2 . VAL B 2 2 ? 7.518 21.246 18.745 1.00 27.12 ? 17 VAL H CG2 1 ATOM 238 N N . GLU B 2 3 ? 4.289 21.211 22.233 1.00 29.70 ? 18 GLU H N 1 ATOM 239 C CA . GLU B 2 3 ? 3.102 21.642 22.941 1.00 32.46 ? 18 GLU H CA 1 ATOM 240 C C . GLU B 2 3 ? 1.865 20.745 22.842 1.00 33.78 ? 18 GLU H C 1 ATOM 241 O O . GLU B 2 3 ? 0.727 21.224 22.774 1.00 34.69 ? 18 GLU H O 1 ATOM 242 C CB . GLU B 2 3 ? 2.743 23.070 22.536 1.00 35.52 ? 18 GLU H CB 1 ATOM 243 C CG . GLU B 2 3 ? 3.782 24.123 22.975 1.00 39.93 ? 18 GLU H CG 1 ATOM 244 C CD . GLU B 2 3 ? 3.745 24.402 24.488 1.00 42.05 ? 18 GLU H CD 1 ATOM 245 O OE1 . GLU B 2 3 ? 2.689 24.839 25.003 1.00 42.41 ? 18 GLU H OE1 1 ATOM 246 O OE2 . GLU B 2 3 ? 4.789 24.184 25.152 1.00 43.51 ? 18 GLU H OE2 1 ATOM 247 N N . GLY B 2 4 ? 2.082 19.437 22.823 1.00 34.74 ? 19 GLY H N 1 ATOM 248 C CA . GLY B 2 4 ? 0.961 18.507 22.817 1.00 33.90 ? 19 GLY H CA 1 ATOM 249 C C . GLY B 2 4 ? 0.831 17.975 24.242 1.00 34.23 ? 19 GLY H C 1 ATOM 250 O O . GLY B 2 4 ? 1.287 18.605 25.210 1.00 34.21 ? 19 GLY H O 1 ATOM 251 N N . SER B 2 5 ? 0.220 16.824 24.386 1.00 33.63 ? 20 SER H N 1 ATOM 252 C CA . SER B 2 5 ? 0.059 16.232 25.689 1.00 34.31 ? 20 SER H CA 1 ATOM 253 C C . SER B 2 5 ? 0.171 14.708 25.548 1.00 34.50 ? 20 SER H C 1 ATOM 254 O O . SER B 2 5 ? 0.174 14.159 24.421 1.00 32.75 ? 20 SER H O 1 ATOM 255 C CB . SER B 2 5 ? -1.307 16.587 26.262 1.00 34.68 ? 20 SER H CB 1 ATOM 256 O OG . SER B 2 5 ? -2.331 16.025 25.463 1.00 38.79 ? 20 SER H OG 1 ATOM 257 N N . ASP B 2 6 ? 0.257 14.043 26.693 1.00 32.36 ? 21 ASP H N 1 ATOM 258 C CA . ASP B 2 6 ? 0.381 12.597 26.734 1.00 32.08 ? 21 ASP H CA 1 ATOM 259 C C . ASP B 2 6 ? -0.879 11.925 26.225 1.00 31.12 ? 21 ASP H C 1 ATOM 260 O O . ASP B 2 6 ? -1.979 12.307 26.564 1.00 29.58 ? 21 ASP H O 1 ATOM 261 C CB . ASP B 2 6 ? 0.658 12.141 28.171 1.00 34.98 ? 21 ASP H CB 1 ATOM 262 C CG . ASP B 2 6 ? 2.050 12.549 28.674 1.00 36.41 ? 21 ASP H CG 1 ATOM 263 O OD1 . ASP B 2 6 ? 2.834 13.267 27.989 1.00 35.38 ? 21 ASP H OD1 1 ATOM 264 O OD2 . ASP B 2 6 ? 2.361 12.114 29.794 1.00 39.23 ? 21 ASP H OD2 1 ATOM 265 N N . ALA B 2 7 ? -0.703 10.913 25.395 1.00 31.75 ? 22 ALA H N 1 ATOM 266 C CA . ALA B 2 7 ? -1.843 10.169 24.839 1.00 32.13 ? 22 ALA H CA 1 ATOM 267 C C . ALA B 2 7 ? -2.351 9.113 25.824 1.00 31.56 ? 22 ALA H C 1 ATOM 268 O O . ALA B 2 7 ? -1.555 8.378 26.378 1.00 31.09 ? 22 ALA H O 1 ATOM 269 C CB . ALA B 2 7 ? -1.422 9.490 23.550 1.00 30.98 ? 22 ALA H CB 1 ATOM 270 N N . GLU B 2 8 ? -3.665 9.029 26.040 1.00 31.80 ? 23 GLU H N 1 ATOM 271 C CA . GLU B 2 8 ? -4.215 7.992 26.932 1.00 33.06 ? 23 GLU H CA 1 ATOM 272 C C . GLU B 2 8 ? -3.991 6.641 26.223 1.00 31.95 ? 23 GLU H C 1 ATOM 273 O O . GLU B 2 8 ? -3.825 6.621 24.998 1.00 30.87 ? 23 GLU H O 1 ATOM 274 C CB . GLU B 2 8 ? -5.722 8.185 27.110 1.00 36.19 ? 23 GLU H CB 1 ATOM 275 C CG . GLU B 2 8 ? -6.156 9.554 27.588 1.00 38.67 ? 23 GLU H CG 1 ATOM 276 C CD . GLU B 2 8 ? -7.629 9.815 27.238 1.00 41.61 ? 23 GLU H CD 1 ATOM 277 O OE1 . GLU B 2 8 ? -8.507 9.144 27.835 1.00 42.29 ? 23 GLU H OE1 1 ATOM 278 O OE2 . GLU B 2 8 ? -7.893 10.681 26.355 1.00 40.87 ? 23 GLU H OE2 1 ATOM 279 N N . ILE B 2 9 ? -3.992 5.543 26.973 1.00 30.88 ? 24 ILE H N 1 ATOM 280 C CA . ILE B 2 9 ? -3.821 4.184 26.406 1.00 32.62 ? 24 ILE H CA 1 ATOM 281 C C . ILE B 2 9 ? -4.972 3.823 25.448 1.00 30.79 ? 24 ILE H C 1 ATOM 282 O O . ILE B 2 9 ? -6.127 4.089 25.743 1.00 30.43 ? 24 ILE H O 1 ATOM 283 C CB . ILE B 2 9 ? -3.757 3.071 27.550 1.00 34.72 ? 24 ILE H CB 1 ATOM 284 C CG1 . ILE B 2 9 ? -2.476 3.231 28.394 1.00 37.93 ? 24 ILE H CG1 1 ATOM 285 C CG2 . ILE B 2 9 ? -3.680 1.646 26.945 1.00 36.94 ? 24 ILE H CG2 1 ATOM 286 C CD1 . ILE B 2 9 ? -2.601 2.744 29.861 1.00 37.68 ? 24 ILE H CD1 1 ATOM 287 N N . GLY B 2 10 ? -4.652 3.209 24.309 1.00 28.92 ? 25 GLY H N 1 ATOM 288 C CA . GLY B 2 10 ? -5.679 2.839 23.324 1.00 26.55 ? 25 GLY H CA 1 ATOM 289 C C . GLY B 2 10 ? -6.294 3.962 22.500 1.00 24.81 ? 25 GLY H C 1 ATOM 290 O O . GLY B 2 10 ? -7.153 3.708 21.637 1.00 24.33 ? 25 GLY H O 1 ATOM 291 N N . MET B 2 11 ? -5.845 5.214 22.710 1.00 22.54 ? 26 MET H N 1 ATOM 292 C CA . MET B 2 11 ? -6.440 6.330 21.979 1.00 22.51 ? 26 MET H CA 1 ATOM 293 C C . MET B 2 11 ? -6.019 6.527 20.498 1.00 19.23 ? 26 MET H C 1 ATOM 294 O O . MET B 2 11 ? -6.711 7.216 19.768 1.00 20.14 ? 26 MET H O 1 ATOM 295 C CB . MET B 2 11 ? -6.232 7.634 22.792 1.00 25.15 ? 26 MET H CB 1 ATOM 296 C CG . MET B 2 11 ? -5.396 8.670 22.119 1.00 28.71 ? 26 MET H CG 1 ATOM 297 S SD . MET B 2 11 ? -5.190 10.307 23.092 1.00 33.48 ? 26 MET H SD 1 ATOM 298 C CE . MET B 2 11 ? -6.645 11.098 22.802 1.00 33.13 ? 26 MET H CE 1 ATOM 299 N N . SER B 2 12 ? -4.907 5.911 20.065 1.00 19.46 ? 27 SER H N 1 ATOM 300 C CA . SER B 2 12 ? -4.360 5.982 18.689 1.00 20.28 ? 27 SER H CA 1 ATOM 301 C C . SER B 2 12 ? -3.835 4.530 18.389 1.00 21.64 ? 27 SER H C 1 ATOM 302 O O . SER B 2 12 ? -2.626 4.296 18.203 1.00 20.90 ? 27 SER H O 1 ATOM 303 C CB A SER B 2 12 ? -3.194 7.019 18.649 0.64 19.17 ? 27 SER H CB 1 ATOM 304 C CB B SER B 2 12 ? -3.169 6.952 18.643 0.36 21.14 ? 27 SER H CB 1 ATOM 305 O OG A SER B 2 12 ? -2.749 7.321 17.323 0.64 17.78 ? 27 SER H OG 1 ATOM 306 O OG B SER B 2 12 ? -3.568 8.244 18.248 0.36 23.97 ? 27 SER H OG 1 ATOM 307 N N . PRO B 2 13 ? -4.756 3.526 18.327 1.00 21.87 ? 28 PRO H N 1 ATOM 308 C CA . PRO B 2 13 ? -4.311 2.137 18.082 1.00 19.82 ? 28 PRO H CA 1 ATOM 309 C C . PRO B 2 13 ? -3.700 1.796 16.716 1.00 19.94 ? 28 PRO H C 1 ATOM 310 O O . PRO B 2 13 ? -3.111 0.715 16.534 1.00 19.81 ? 28 PRO H O 1 ATOM 311 C CB . PRO B 2 13 ? -5.546 1.303 18.442 1.00 21.70 ? 28 PRO H CB 1 ATOM 312 C CG . PRO B 2 13 ? -6.719 2.230 18.002 1.00 21.35 ? 28 PRO H CG 1 ATOM 313 C CD . PRO B 2 13 ? -6.219 3.635 18.497 1.00 21.69 ? 28 PRO H CD 1 ATOM 314 N N . TRP B 2 14 ? -3.841 2.710 15.781 1.00 16.92 ? 29 TRP H N 1 ATOM 315 C CA . TRP B 2 14 ? -3.257 2.602 14.458 1.00 19.15 ? 29 TRP H CA 1 ATOM 316 C C . TRP B 2 14 ? -1.830 3.214 14.433 1.00 19.03 ? 29 TRP H C 1 ATOM 317 O O . TRP B 2 14 ? -1.178 3.209 13.375 1.00 17.95 ? 29 TRP H O 1 ATOM 318 C CB . TRP B 2 14 ? -4.156 3.310 13.420 1.00 19.49 ? 29 TRP H CB 1 ATOM 319 C CG . TRP B 2 14 ? -4.787 4.575 13.954 1.00 21.02 ? 29 TRP H CG 1 ATOM 320 C CD1 . TRP B 2 14 ? -4.160 5.844 14.132 1.00 21.29 ? 29 TRP H CD1 1 ATOM 321 C CD2 . TRP B 2 14 ? -6.119 4.714 14.492 1.00 19.91 ? 29 TRP H CD2 1 ATOM 322 N NE1 . TRP B 2 14 ? -5.051 6.711 14.734 1.00 20.56 ? 29 TRP H NE1 1 ATOM 323 C CE2 . TRP B 2 14 ? -6.244 6.058 14.970 1.00 21.84 ? 29 TRP H CE2 1 ATOM 324 C CE3 . TRP B 2 14 ? -7.216 3.840 14.612 1.00 21.56 ? 29 TRP H CE3 1 ATOM 325 C CZ2 . TRP B 2 14 ? -7.426 6.543 15.557 1.00 21.12 ? 29 TRP H CZ2 1 ATOM 326 C CZ3 . TRP B 2 14 ? -8.405 4.317 15.184 1.00 20.46 ? 29 TRP H CZ3 1 ATOM 327 C CH2 . TRP B 2 14 ? -8.492 5.679 15.656 1.00 21.21 ? 29 TRP H CH2 1 ATOM 328 N N . GLN B 2 15 ? -1.336 3.740 15.586 1.00 20.15 ? 30 GLN H N 1 ATOM 329 C CA . GLN B 2 15 ? 0.031 4.318 15.596 1.00 20.21 ? 30 GLN H CA 1 ATOM 330 C C . GLN B 2 15 ? 1.101 3.220 15.347 1.00 19.77 ? 30 GLN H C 1 ATOM 331 O O . GLN B 2 15 ? 1.036 2.150 15.942 1.00 20.76 ? 30 GLN H O 1 ATOM 332 C CB . GLN B 2 15 ? 0.371 4.954 16.947 1.00 21.95 ? 30 GLN H CB 1 ATOM 333 C CG . GLN B 2 15 ? 1.488 5.995 16.831 1.00 21.29 ? 30 GLN H CG 1 ATOM 334 C CD . GLN B 2 15 ? 1.012 7.349 16.288 1.00 21.44 ? 30 GLN H CD 1 ATOM 335 O OE1 . GLN B 2 15 ? 1.831 8.156 15.805 1.00 25.15 ? 30 GLN H OE1 1 ATOM 336 N NE2 . GLN B 2 15 ? -0.278 7.628 16.393 1.00 15.57 ? 30 GLN H NE2 1 ATOM 337 N N . VAL B 2 16 ? 2.093 3.496 14.500 1.00 19.46 ? 31 VAL H N 1 ATOM 338 C CA . VAL B 2 16 ? 3.150 2.542 14.208 1.00 19.43 ? 31 VAL H CA 1 ATOM 339 C C . VAL B 2 16 ? 4.481 3.271 14.389 1.00 21.46 ? 31 VAL H C 1 ATOM 340 O O . VAL B 2 16 ? 4.572 4.468 14.055 1.00 21.73 ? 31 VAL H O 1 ATOM 341 C CB . VAL B 2 16 ? 3.034 2.028 12.763 1.00 20.55 ? 31 VAL H CB 1 ATOM 342 C CG1 . VAL B 2 16 ? 4.229 1.088 12.422 1.00 19.18 ? 31 VAL H CG1 1 ATOM 343 C CG2 . VAL B 2 16 ? 1.753 1.230 12.608 1.00 17.58 ? 31 VAL H CG2 1 ATOM 344 N N . MET B 2 17 ? 5.494 2.586 14.936 1.00 19.61 ? 32 MET H N 1 ATOM 345 C CA . MET B 2 17 ? 6.813 3.237 15.123 1.00 22.90 ? 32 MET H CA 1 ATOM 346 C C . MET B 2 17 ? 7.782 2.571 14.139 1.00 22.98 ? 32 MET H C 1 ATOM 347 O O . MET B 2 17 ? 7.816 1.343 14.018 1.00 23.70 ? 32 MET H O 1 ATOM 348 C CB . MET B 2 17 ? 7.340 3.043 16.554 1.00 22.92 ? 32 MET H CB 1 ATOM 349 C CG . MET B 2 17 ? 6.439 3.611 17.625 1.00 25.19 ? 32 MET H CG 1 ATOM 350 S SD . MET B 2 17 ? 6.902 2.956 19.312 1.00 30.85 ? 32 MET H SD 1 ATOM 351 C CE . MET B 2 17 ? 8.412 4.098 19.698 1.00 26.22 ? 32 MET H CE 1 ATOM 352 N N . LEU B 2 18 ? 8.518 3.370 13.386 1.00 23.00 ? 33 LEU H N 1 ATOM 353 C CA . LEU B 2 18 ? 9.451 2.796 12.427 1.00 24.70 ? 33 LEU H CA 1 ATOM 354 C C . LEU B 2 18 ? 10.872 2.821 12.982 1.00 25.87 ? 33 LEU H C 1 ATOM 355 O O . LEU B 2 18 ? 11.396 3.896 13.283 1.00 25.38 ? 33 LEU H O 1 ATOM 356 C CB . LEU B 2 18 ? 9.394 3.559 11.098 1.00 23.61 ? 33 LEU H CB 1 ATOM 357 C CG . LEU B 2 18 ? 10.407 3.045 10.050 1.00 27.55 ? 33 LEU H CG 1 ATOM 358 C CD1 . LEU B 2 18 ? 10.020 1.673 9.485 1.00 24.23 ? 33 LEU H CD1 1 ATOM 359 C CD2 . LEU B 2 18 ? 10.461 4.062 8.877 1.00 26.41 ? 33 LEU H CD2 1 ATOM 360 N N . PHE B 2 19 ? 11.471 1.628 13.077 1.00 28.32 ? 34 PHE H N 1 ATOM 361 C CA . PHE B 2 19 ? 12.838 1.394 13.603 1.00 30.89 ? 34 PHE H CA 1 ATOM 362 C C . PHE B 2 19 ? 13.903 0.878 12.630 1.00 31.61 ? 34 PHE H C 1 ATOM 363 O O . PHE B 2 19 ? 13.640 0.030 11.757 1.00 31.35 ? 34 PHE H O 1 ATOM 364 C CB . PHE B 2 19 ? 12.826 0.362 14.755 1.00 28.89 ? 34 PHE H CB 1 ATOM 365 C CG . PHE B 2 19 ? 12.254 0.893 16.033 1.00 31.01 ? 34 PHE H CG 1 ATOM 366 C CD1 . PHE B 2 19 ? 10.870 0.824 16.280 1.00 28.92 ? 34 PHE H CD1 1 ATOM 367 C CD2 . PHE B 2 19 ? 13.112 1.437 17.016 1.00 30.93 ? 34 PHE H CD2 1 ATOM 368 C CE1 . PHE B 2 19 ? 10.337 1.275 17.492 1.00 29.58 ? 34 PHE H CE1 1 ATOM 369 C CE2 . PHE B 2 19 ? 12.607 1.898 18.244 1.00 31.27 ? 34 PHE H CE2 1 ATOM 370 C CZ . PHE B 2 19 ? 11.188 1.815 18.490 1.00 31.26 ? 34 PHE H CZ 1 ATOM 371 N N . ARG B 2 20 ? 15.100 1.436 12.787 1.00 33.74 ? 35 ARG H N 1 ATOM 372 C CA . ARG B 2 20 ? 16.268 0.981 12.046 1.00 36.24 ? 35 ARG H CA 1 ATOM 373 C C . ARG B 2 20 ? 16.585 -0.322 12.844 1.00 37.71 ? 35 ARG H C 1 ATOM 374 O O . ARG B 2 20 ? 16.722 -0.279 14.090 1.00 36.64 ? 35 ARG H O 1 ATOM 375 C CB . ARG B 2 20 ? 17.436 1.973 12.190 1.00 36.87 ? 35 ARG H CB 1 ATOM 376 C CG . ARG B 2 20 ? 18.803 1.311 12.172 1.00 40.48 ? 35 ARG H CG 1 ATOM 377 C CD . ARG B 2 20 ? 19.636 1.434 10.891 1.00 43.91 ? 35 ARG H CD 1 ATOM 378 N NE . ARG B 2 20 ? 19.880 2.816 10.394 1.00 46.10 ? 35 ARG H NE 1 ATOM 379 C CZ . ARG B 2 20 ? 20.012 3.907 11.159 1.00 46.25 ? 35 ARG H CZ 1 ATOM 380 N NH1 . ARG B 2 20 ? 20.219 5.107 10.581 1.00 44.12 ? 35 ARG H NH1 1 ATOM 381 N NH2 . ARG B 2 20 ? 19.926 3.806 12.487 1.00 43.30 ? 35 ARG H NH2 1 ATOM 382 N N . LYS B 2 21 ? 16.668 -1.448 12.124 1.00 38.54 ? 36 LYS H N 1 ATOM 383 C CA . LYS B 2 21 ? 16.936 -2.767 12.708 1.00 40.85 ? 36 LYS H CA 1 ATOM 384 C C . LYS B 2 21 ? 18.277 -2.860 13.417 1.00 41.33 ? 36 LYS H C 1 ATOM 385 O O . LYS B 2 21 ? 18.332 -3.264 14.561 1.00 42.29 ? 36 LYS H O 1 ATOM 386 C CB . LYS B 2 21 ? 16.818 -3.854 11.634 1.00 41.09 ? 36 LYS H CB 1 ATOM 387 C CG . LYS B 2 21 ? 17.072 -5.251 12.130 1.00 44.20 ? 36 LYS H CG 1 ATOM 388 C CD . LYS B 2 21 ? 16.962 -6.303 10.989 1.00 47.26 ? 36 LYS H CD 1 ATOM 389 C CE . LYS B 2 21 ? 15.552 -6.390 10.400 1.00 49.63 ? 36 LYS H CE 1 ATOM 390 N NZ . LYS B 2 21 ? 15.460 -7.377 9.249 1.00 50.87 ? 36 LYS H NZ 1 ATOM 391 N N . SER B 2 22 A 19.374 -2.481 12.776 1.00 42.97 ? 36 SER H N 1 ATOM 392 C CA . SER B 2 22 A 20.664 -2.538 13.507 1.00 44.34 ? 36 SER H CA 1 ATOM 393 C C . SER B 2 22 A 21.589 -1.362 13.241 1.00 43.18 ? 36 SER H C 1 ATOM 394 O O . SER B 2 22 A 22.047 -1.171 12.131 1.00 43.19 ? 36 SER H O 1 ATOM 395 C CB . SER B 2 22 A 21.424 -3.851 13.210 1.00 45.30 ? 36 SER H CB 1 ATOM 396 O OG . SER B 2 22 A 21.261 -4.818 14.244 1.00 48.52 ? 36 SER H OG 1 ATOM 397 N N . PRO B 2 23 ? 21.894 -0.571 14.270 1.00 43.42 ? 37 PRO H N 1 ATOM 398 C CA . PRO B 2 23 ? 21.414 -0.738 15.646 1.00 44.59 ? 37 PRO H CA 1 ATOM 399 C C . PRO B 2 23 ? 19.967 -0.270 15.753 1.00 45.24 ? 37 PRO H C 1 ATOM 400 O O . PRO B 2 23 ? 19.490 0.473 14.878 1.00 44.57 ? 37 PRO H O 1 ATOM 401 C CB . PRO B 2 23 ? 22.358 0.163 16.450 1.00 44.79 ? 37 PRO H CB 1 ATOM 402 C CG . PRO B 2 23 ? 22.573 1.353 15.498 1.00 44.06 ? 37 PRO H CG 1 ATOM 403 C CD . PRO B 2 23 ? 22.621 0.705 14.101 1.00 43.87 ? 37 PRO H CD 1 ATOM 404 N N . GLN B 2 24 ? 19.287 -0.709 16.814 1.00 45.42 ? 38 GLN H N 1 ATOM 405 C CA . GLN B 2 24 ? 17.912 -0.317 17.061 1.00 45.75 ? 38 GLN H CA 1 ATOM 406 C C . GLN B 2 24 ? 17.956 1.183 17.275 1.00 44.12 ? 38 GLN H C 1 ATOM 407 O O . GLN B 2 24 ? 18.745 1.666 18.115 1.00 43.45 ? 38 GLN H O 1 ATOM 408 C CB . GLN B 2 24 ? 17.349 -0.984 18.326 1.00 48.73 ? 38 GLN H CB 1 ATOM 409 C CG . GLN B 2 24 ? 16.294 -2.127 18.063 1.00 54.43 ? 38 GLN H CG 1 ATOM 410 C CD . GLN B 2 24 ? 16.916 -3.399 17.438 1.00 57.35 ? 38 GLN H CD 1 ATOM 411 O OE1 . GLN B 2 24 ? 18.039 -3.353 16.918 1.00 59.75 ? 38 GLN H OE1 1 ATOM 412 N NE2 . GLN B 2 24 ? 16.188 -4.522 17.482 1.00 57.63 ? 38 GLN H NE2 1 ATOM 413 N N . GLU B 2 25 ? 17.126 1.892 16.500 1.00 40.02 ? 39 GLU H N 1 ATOM 414 C CA . GLU B 2 25 ? 16.988 3.343 16.558 1.00 37.64 ? 39 GLU H CA 1 ATOM 415 C C . GLU B 2 25 ? 15.588 3.734 16.025 1.00 35.48 ? 39 GLU H C 1 ATOM 416 O O . GLU B 2 25 ? 15.172 3.271 14.952 1.00 35.92 ? 39 GLU H O 1 ATOM 417 C CB . GLU B 2 25 ? 18.035 4.031 15.678 1.00 39.81 ? 39 GLU H CB 1 ATOM 418 C CG . GLU B 2 25 ? 18.001 5.583 15.754 1.00 43.66 ? 39 GLU H CG 1 ATOM 419 C CD . GLU B 2 25 ? 18.758 6.276 14.571 1.00 46.92 ? 39 GLU H CD 1 ATOM 420 O OE1 . GLU B 2 25 ? 19.678 5.634 13.984 1.00 49.13 ? 39 GLU H OE1 1 ATOM 421 O OE2 . GLU B 2 25 ? 18.450 7.458 14.237 1.00 45.37 ? 39 GLU H OE2 1 ATOM 422 N N . LEU B 2 26 ? 14.883 4.582 16.772 1.00 33.09 ? 40 LEU H N 1 ATOM 423 C CA . LEU B 2 26 ? 13.555 5.069 16.399 1.00 32.19 ? 40 LEU H CA 1 ATOM 424 C C . LEU B 2 26 ? 13.675 6.148 15.294 1.00 31.29 ? 40 LEU H C 1 ATOM 425 O O . LEU B 2 26 ? 14.178 7.246 15.537 1.00 31.14 ? 40 LEU H O 1 ATOM 426 C CB . LEU B 2 26 ? 12.878 5.692 17.619 1.00 32.03 ? 40 LEU H CB 1 ATOM 427 C CG . LEU B 2 26 ? 11.354 5.683 17.628 1.00 33.28 ? 40 LEU H CG 1 ATOM 428 C CD1 . LEU B 2 26 ? 10.876 6.985 18.242 1.00 31.23 ? 40 LEU H CD1 1 ATOM 429 C CD2 . LEU B 2 26 ? 10.771 5.500 16.235 1.00 33.92 ? 40 LEU H CD2 1 ATOM 430 N N . LEU B 2 27 ? 13.220 5.842 14.096 1.00 27.46 ? 41 LEU H N 1 ATOM 431 C CA . LEU B 2 27 ? 13.315 6.810 12.995 1.00 27.72 ? 41 LEU H CA 1 ATOM 432 C C . LEU B 2 27 ? 12.126 7.758 12.740 1.00 27.98 ? 41 LEU H C 1 ATOM 433 O O . LEU B 2 27 ? 12.272 8.992 12.575 1.00 28.04 ? 41 LEU H O 1 ATOM 434 C CB . LEU B 2 27 ? 13.544 6.058 11.688 1.00 26.82 ? 41 LEU H CB 1 ATOM 435 C CG . LEU B 2 27 ? 14.738 5.128 11.706 1.00 27.98 ? 41 LEU H CG 1 ATOM 436 C CD1 . LEU B 2 27 ? 14.639 4.080 10.551 1.00 27.17 ? 41 LEU H CD1 1 ATOM 437 C CD2 . LEU B 2 27 ? 16.009 5.990 11.601 1.00 26.49 ? 41 LEU H CD2 1 ATOM 438 N N . CYS B 2 28 ? 10.940 7.177 12.689 1.00 24.45 ? 42 CYS H N 1 ATOM 439 C CA . CYS B 2 28 ? 9.782 7.971 12.287 1.00 24.35 ? 42 CYS H CA 1 ATOM 440 C C . CYS B 2 28 ? 8.516 7.355 12.843 1.00 20.64 ? 42 CYS H C 1 ATOM 441 O O . CYS B 2 28 ? 8.546 6.326 13.500 1.00 20.62 ? 42 CYS H O 1 ATOM 442 C CB . CYS B 2 28 ? 9.650 7.912 10.732 1.00 23.09 ? 42 CYS H CB 1 ATOM 443 S SG . CYS B 2 28 ? 10.536 9.154 9.734 1.00 30.72 ? 42 CYS H SG 1 ATOM 444 N N . GLY B 2 29 ? 7.415 8.011 12.518 1.00 21.51 ? 43 GLY H N 1 ATOM 445 C CA . GLY B 2 29 ? 6.096 7.508 12.863 1.00 20.33 ? 43 GLY H CA 1 ATOM 446 C C . GLY B 2 29 ? 5.584 6.889 11.556 1.00 19.81 ? 43 GLY H C 1 ATOM 447 O O . GLY B 2 29 ? 6.269 6.956 10.511 1.00 19.04 ? 43 GLY H O 1 ATOM 448 N N . ALA B 2 30 ? 4.402 6.285 11.645 1.00 19.70 ? 44 ALA H N 1 ATOM 449 C CA . ALA B 2 30 ? 3.718 5.597 10.556 1.00 20.53 ? 44 ALA H CA 1 ATOM 450 C C . ALA B 2 30 ? 2.280 5.260 11.030 1.00 20.29 ? 44 ALA H C 1 ATOM 451 O O . ALA B 2 30 ? 1.924 5.480 12.198 1.00 21.15 ? 44 ALA H O 1 ATOM 452 C CB . ALA B 2 30 ? 4.462 4.270 10.212 1.00 18.13 ? 44 ALA H CB 1 ATOM 453 N N . SER B 2 31 ? 1.466 4.722 10.141 1.00 19.05 ? 45 SER H N 1 ATOM 454 C CA . SER B 2 31 ? 0.137 4.362 10.529 1.00 21.90 ? 45 SER H CA 1 ATOM 455 C C . SER B 2 31 ? -0.273 3.012 9.896 1.00 22.03 ? 45 SER H C 1 ATOM 456 O O . SER B 2 31 ? 0.151 2.663 8.792 1.00 23.07 ? 45 SER H O 1 ATOM 457 C CB . SER B 2 31 ? -0.860 5.437 10.101 1.00 19.83 ? 45 SER H CB 1 ATOM 458 O OG . SER B 2 31 ? -0.731 5.617 8.716 1.00 21.87 ? 45 SER H OG 1 ATOM 459 N N . LEU B 2 32 ? -1.150 2.317 10.592 1.00 21.55 ? 46 LEU H N 1 ATOM 460 C CA . LEU B 2 32 ? -1.640 0.979 10.187 1.00 21.46 ? 46 LEU H CA 1 ATOM 461 C C . LEU B 2 32 ? -2.920 1.162 9.394 1.00 20.28 ? 46 LEU H C 1 ATOM 462 O O . LEU B 2 32 ? -3.893 1.666 9.947 1.00 20.00 ? 46 LEU H O 1 ATOM 463 C CB . LEU B 2 32 ? -1.945 0.196 11.451 1.00 21.79 ? 46 LEU H CB 1 ATOM 464 C CG . LEU B 2 32 ? -1.787 -1.327 11.677 1.00 26.42 ? 46 LEU H CG 1 ATOM 465 C CD1 . LEU B 2 32 ? -3.049 -1.838 12.256 1.00 22.83 ? 46 LEU H CD1 1 ATOM 466 C CD2 . LEU B 2 32 ? -1.215 -2.101 10.429 1.00 24.42 ? 46 LEU H CD2 1 ATOM 467 N N . ILE B 2 33 ? -2.956 0.756 8.130 1.00 21.04 ? 47 ILE H N 1 ATOM 468 C CA . ILE B 2 33 ? -4.169 0.928 7.376 1.00 22.18 ? 47 ILE H CA 1 ATOM 469 C C . ILE B 2 33 ? -4.897 -0.399 7.100 1.00 24.71 ? 47 ILE H C 1 ATOM 470 O O . ILE B 2 33 ? -6.041 -0.402 6.651 1.00 22.44 ? 47 ILE H O 1 ATOM 471 C CB . ILE B 2 33 ? -3.907 1.716 6.104 1.00 24.47 ? 47 ILE H CB 1 ATOM 472 C CG1 . ILE B 2 33 ? -2.860 0.984 5.279 1.00 22.89 ? 47 ILE H CG1 1 ATOM 473 C CG2 . ILE B 2 33 ? -3.405 3.221 6.473 1.00 23.26 ? 47 ILE H CG2 1 ATOM 474 C CD1 . ILE B 2 33 ? -2.827 1.473 3.924 1.00 24.78 ? 47 ILE H CD1 1 ATOM 475 N N . SER B 2 34 ? -4.243 -1.520 7.406 1.00 25.80 ? 48 SER H N 1 ATOM 476 C CA . SER B 2 34 ? -4.864 -2.857 7.322 1.00 25.41 ? 48 SER H CA 1 ATOM 477 C C . SER B 2 34 ? -3.931 -3.825 8.117 1.00 26.59 ? 48 SER H C 1 ATOM 478 O O . SER B 2 34 ? -2.866 -3.401 8.642 1.00 24.99 ? 48 SER H O 1 ATOM 479 C CB . SER B 2 34 ? -5.073 -3.314 5.864 1.00 24.58 ? 48 SER H CB 1 ATOM 480 O OG . SER B 2 34 ? -3.876 -3.827 5.333 1.00 26.18 ? 48 SER H OG 1 ATOM 481 N N . ASP B 2 35 ? -4.299 -5.104 8.229 1.00 25.42 ? 49 ASP H N 1 ATOM 482 C CA . ASP B 2 35 ? -3.475 -5.957 9.008 1.00 26.31 ? 49 ASP H CA 1 ATOM 483 C C . ASP B 2 35 ? -2.134 -6.259 8.352 1.00 26.94 ? 49 ASP H C 1 ATOM 484 O O . ASP B 2 35 ? -1.245 -6.779 9.014 1.00 26.94 ? 49 ASP H O 1 ATOM 485 C CB . ASP B 2 35 ? -4.222 -7.224 9.427 1.00 29.24 ? 49 ASP H CB 1 ATOM 486 C CG . ASP B 2 35 ? -4.337 -8.264 8.308 1.00 33.03 ? 49 ASP H CG 1 ATOM 487 O OD1 . ASP B 2 35 ? -3.859 -8.025 7.158 1.00 33.24 ? 49 ASP H OD1 1 ATOM 488 O OD2 . ASP B 2 35 ? -4.912 -9.355 8.611 1.00 33.87 ? 49 ASP H OD2 1 ATOM 489 N N . ARG B 2 36 ? -1.941 -5.844 7.101 1.00 26.62 ? 50 ARG H N 1 ATOM 490 C CA . ARG B 2 36 ? -0.667 -6.127 6.474 1.00 28.70 ? 50 ARG H CA 1 ATOM 491 C C . ARG B 2 36 ? 0.023 -4.927 5.811 1.00 27.55 ? 50 ARG H C 1 ATOM 492 O O . ARG B 2 36 ? 1.158 -5.047 5.283 1.00 28.87 ? 50 ARG H O 1 ATOM 493 C CB . ARG B 2 36 ? -0.828 -7.299 5.461 1.00 31.45 ? 50 ARG H CB 1 ATOM 494 C CG . ARG B 2 36 ? 0.419 -8.131 5.468 1.00 38.14 ? 50 ARG H CG 1 ATOM 495 C CD . ARG B 2 36 ? 0.290 -9.558 5.014 1.00 43.53 ? 50 ARG H CD 1 ATOM 496 N NE . ARG B 2 36 ? 1.623 -10.019 4.602 1.00 46.68 ? 50 ARG H NE 1 ATOM 497 C CZ . ARG B 2 36 ? 1.871 -11.167 3.975 1.00 49.25 ? 50 ARG H CZ 1 ATOM 498 N NH1 . ARG B 2 36 ? 0.866 -11.990 3.684 1.00 49.31 ? 50 ARG H NH1 1 ATOM 499 N NH2 . ARG B 2 36 ? 3.122 -11.487 3.625 1.00 50.40 ? 50 ARG H NH2 1 ATOM 500 N N . TRP B 2 37 ? -0.639 -3.772 5.838 1.00 25.14 ? 51 TRP H N 1 ATOM 501 C CA . TRP B 2 37 ? -0.065 -2.572 5.226 1.00 23.24 ? 51 TRP H CA 1 ATOM 502 C C . TRP B 2 37 ? 0.068 -1.407 6.202 1.00 22.85 ? 51 TRP H C 1 ATOM 503 O O . TRP B 2 37 ? -0.893 -1.113 6.966 1.00 21.05 ? 51 TRP H O 1 ATOM 504 C CB . TRP B 2 37 ? -0.924 -2.097 4.053 1.00 23.47 ? 51 TRP H CB 1 ATOM 505 C CG . TRP B 2 37 ? -0.884 -2.957 2.810 1.00 26.27 ? 51 TRP H CG 1 ATOM 506 C CD1 . TRP B 2 37 ? -1.795 -3.939 2.457 1.00 29.02 ? 51 TRP H CD1 1 ATOM 507 C CD2 . TRP B 2 37 ? 0.088 -2.925 1.766 1.00 27.04 ? 51 TRP H CD2 1 ATOM 508 N NE1 . TRP B 2 37 ? -1.445 -4.493 1.268 1.00 30.22 ? 51 TRP H NE1 1 ATOM 509 C CE2 . TRP B 2 37 ? -0.298 -3.904 0.809 1.00 28.69 ? 51 TRP H CE2 1 ATOM 510 C CE3 . TRP B 2 37 ? 1.258 -2.166 1.537 1.00 27.79 ? 51 TRP H CE3 1 ATOM 511 C CZ2 . TRP B 2 37 ? 0.431 -4.145 -0.363 1.00 27.79 ? 51 TRP H CZ2 1 ATOM 512 C CZ3 . TRP B 2 37 ? 1.990 -2.402 0.373 1.00 26.80 ? 51 TRP H CZ3 1 ATOM 513 C CH2 . TRP B 2 37 ? 1.567 -3.392 -0.570 1.00 29.94 ? 51 TRP H CH2 1 ATOM 514 N N . VAL B 2 38 ? 1.216 -0.728 6.113 1.00 20.75 ? 52 VAL H N 1 ATOM 515 C CA . VAL B 2 38 ? 1.550 0.445 6.955 1.00 21.70 ? 52 VAL H CA 1 ATOM 516 C C . VAL B 2 38 ? 1.894 1.656 6.049 1.00 22.74 ? 52 VAL H C 1 ATOM 517 O O . VAL B 2 38 ? 2.584 1.519 5.024 1.00 25.19 ? 52 VAL H O 1 ATOM 518 C CB . VAL B 2 38 ? 2.776 0.140 7.896 1.00 20.85 ? 52 VAL H CB 1 ATOM 519 C CG1 . VAL B 2 38 ? 3.234 1.426 8.692 1.00 19.39 ? 52 VAL H CG1 1 ATOM 520 C CG2 . VAL B 2 38 ? 2.390 -1.006 8.858 1.00 18.01 ? 52 VAL H CG2 1 ATOM 521 N N . LEU B 2 39 ? 1.358 2.814 6.390 1.00 21.14 ? 53 LEU H N 1 ATOM 522 C CA . LEU B 2 39 ? 1.585 4.040 5.628 1.00 22.44 ? 53 LEU H CA 1 ATOM 523 C C . LEU B 2 39 ? 2.633 4.905 6.322 1.00 21.83 ? 53 LEU H C 1 ATOM 524 O O . LEU B 2 39 ? 2.657 4.948 7.554 1.00 18.03 ? 53 LEU H O 1 ATOM 525 C CB . LEU B 2 39 ? 0.277 4.834 5.578 1.00 24.53 ? 53 LEU H CB 1 ATOM 526 C CG . LEU B 2 39 ? 0.029 5.983 4.584 1.00 27.38 ? 53 LEU H CG 1 ATOM 527 C CD1 . LEU B 2 39 ? 0.142 5.456 3.099 1.00 25.01 ? 53 LEU H CD1 1 ATOM 528 C CD2 . LEU B 2 39 ? -1.403 6.593 4.825 1.00 26.52 ? 53 LEU H CD2 1 ATOM 529 N N . THR B 2 40 ? 3.508 5.563 5.548 1.00 21.83 ? 54 THR H N 1 ATOM 530 C CA . THR B 2 40 ? 4.460 6.464 6.171 1.00 22.13 ? 54 THR H CA 1 ATOM 531 C C . THR B 2 40 ? 4.881 7.548 5.176 1.00 22.78 ? 54 THR H C 1 ATOM 532 O O . THR B 2 40 ? 4.313 7.669 4.080 1.00 21.47 ? 54 THR H O 1 ATOM 533 C CB . THR B 2 40 ? 5.708 5.702 6.717 1.00 22.40 ? 54 THR H CB 1 ATOM 534 O OG1 . THR B 2 40 ? 6.439 6.580 7.600 1.00 21.77 ? 54 THR H OG1 1 ATOM 535 C CG2 . THR B 2 40 ? 6.622 5.264 5.576 1.00 21.38 ? 54 THR H CG2 1 ATOM 536 N N . ALA B 2 41 ? 5.823 8.400 5.561 1.00 22.51 ? 55 ALA H N 1 ATOM 537 C CA . ALA B 2 41 ? 6.247 9.398 4.609 1.00 22.73 ? 55 ALA H CA 1 ATOM 538 C C . ALA B 2 41 ? 7.473 8.882 3.774 1.00 21.98 ? 55 ALA H C 1 ATOM 539 O O . ALA B 2 41 ? 8.409 8.250 4.323 1.00 20.89 ? 55 ALA H O 1 ATOM 540 C CB . ALA B 2 41 ? 6.604 10.691 5.352 1.00 23.92 ? 55 ALA H CB 1 ATOM 541 N N . ALA B 2 42 ? 7.486 9.160 2.472 1.00 21.75 ? 56 ALA H N 1 ATOM 542 C CA . ALA B 2 42 ? 8.649 8.736 1.648 1.00 22.12 ? 56 ALA H CA 1 ATOM 543 C C . ALA B 2 42 ? 10.023 9.197 2.221 1.00 23.89 ? 56 ALA H C 1 ATOM 544 O O . ALA B 2 42 ? 10.971 8.392 2.205 1.00 23.37 ? 56 ALA H O 1 ATOM 545 C CB . ALA B 2 42 ? 8.531 9.266 0.252 1.00 20.22 ? 56 ALA H CB 1 ATOM 546 N N . HIS B 2 43 ? 10.148 10.450 2.712 1.00 23.40 ? 57 HIS H N 1 ATOM 547 C CA . HIS B 2 43 ? 11.463 10.925 3.239 1.00 23.33 ? 57 HIS H CA 1 ATOM 548 C C . HIS B 2 43 ? 11.964 10.142 4.437 1.00 24.47 ? 57 HIS H C 1 ATOM 549 O O . HIS B 2 43 ? 13.138 10.289 4.838 1.00 24.92 ? 57 HIS H O 1 ATOM 550 C CB . HIS B 2 43 ? 11.506 12.473 3.554 1.00 23.49 ? 57 HIS H CB 1 ATOM 551 C CG . HIS B 2 43 ? 10.988 12.892 4.913 1.00 23.99 ? 57 HIS H CG 1 ATOM 552 N ND1 . HIS B 2 43 ? 9.736 13.447 5.071 1.00 22.73 ? 57 HIS H ND1 1 ATOM 553 C CD2 . HIS B 2 43 ? 11.552 12.893 6.163 1.00 23.37 ? 57 HIS H CD2 1 ATOM 554 C CE1 . HIS B 2 43 ? 9.598 13.757 6.353 1.00 22.20 ? 57 HIS H CE1 1 ATOM 555 N NE2 . HIS B 2 43 ? 10.692 13.421 7.035 1.00 20.98 ? 57 HIS H NE2 1 ATOM 556 N N . CYS B 2 44 ? 11.103 9.326 5.037 1.00 23.95 ? 58 CYS H N 1 ATOM 557 C CA . CYS B 2 44 ? 11.563 8.510 6.160 1.00 24.96 ? 58 CYS H CA 1 ATOM 558 C C . CYS B 2 44 ? 12.391 7.338 5.609 1.00 24.80 ? 58 CYS H C 1 ATOM 559 O O . CYS B 2 44 ? 13.198 6.787 6.330 1.00 25.25 ? 58 CYS H O 1 ATOM 560 C CB . CYS B 2 44 ? 10.379 7.941 6.974 1.00 24.76 ? 58 CYS H CB 1 ATOM 561 S SG . CYS B 2 44 ? 9.524 9.244 7.960 1.00 26.54 ? 58 CYS H SG 1 ATOM 562 N N . LEU B 2 45 ? 12.174 6.971 4.352 1.00 23.01 ? 59 LEU H N 1 ATOM 563 C CA . LEU B 2 45 ? 12.872 5.825 3.741 1.00 24.71 ? 59 LEU H CA 1 ATOM 564 C C . LEU B 2 45 ? 13.933 6.229 2.741 1.00 26.08 ? 59 LEU H C 1 ATOM 565 O O . LEU B 2 45 ? 14.966 5.569 2.620 1.00 26.86 ? 59 LEU H O 1 ATOM 566 C CB . LEU B 2 45 ? 11.853 4.922 3.015 1.00 25.19 ? 59 LEU H CB 1 ATOM 567 C CG . LEU B 2 45 ? 10.622 4.472 3.817 1.00 26.64 ? 59 LEU H CG 1 ATOM 568 C CD1 . LEU B 2 45 ? 9.657 3.702 2.927 1.00 28.85 ? 59 LEU H CD1 1 ATOM 569 C CD2 . LEU B 2 45 ? 11.057 3.611 4.991 1.00 29.76 ? 59 LEU H CD2 1 ATOM 570 N N . LEU B 2 46 ? 13.644 7.293 1.993 1.00 26.06 ? 60 LEU H N 1 ATOM 571 C CA . LEU B 2 46 ? 14.531 7.830 0.978 1.00 26.31 ? 60 LEU H CA 1 ATOM 572 C C . LEU B 2 46 ? 14.727 9.346 1.034 1.00 26.79 ? 60 LEU H C 1 ATOM 573 O O . LEU B 2 46 ? 13.769 10.131 0.863 1.00 27.14 ? 60 LEU H O 1 ATOM 574 C CB . LEU B 2 46 ? 13.992 7.474 -0.400 1.00 27.95 ? 60 LEU H CB 1 ATOM 575 C CG . LEU B 2 46 ? 14.782 7.977 -1.613 1.00 28.31 ? 60 LEU H CG 1 ATOM 576 C CD1 . LEU B 2 46 ? 16.203 7.312 -1.570 1.00 27.79 ? 60 LEU H CD1 1 ATOM 577 C CD2 . LEU B 2 46 ? 14.004 7.615 -2.933 1.00 25.68 ? 60 LEU H CD2 1 ATOM 578 N N . TYR B 2 47 A 15.955 9.767 1.316 1.00 25.90 ? 60 TYR H N 1 ATOM 579 C CA . TYR B 2 47 A 16.282 11.182 1.302 1.00 25.05 ? 60 TYR H CA 1 ATOM 580 C C . TYR B 2 47 A 17.807 11.344 1.146 1.00 25.02 ? 60 TYR H C 1 ATOM 581 O O . TYR B 2 47 A 18.543 11.471 2.120 1.00 26.14 ? 60 TYR H O 1 ATOM 582 C CB . TYR B 2 47 A 15.775 11.883 2.559 1.00 21.52 ? 60 TYR H CB 1 ATOM 583 C CG . TYR B 2 47 A 15.810 13.387 2.396 1.00 21.61 ? 60 TYR H CG 1 ATOM 584 C CD1 . TYR B 2 47 A 15.039 14.005 1.419 1.00 18.99 ? 60 TYR H CD1 1 ATOM 585 C CD2 . TYR B 2 47 A 16.645 14.191 3.213 1.00 23.21 ? 60 TYR H CD2 1 ATOM 586 C CE1 . TYR B 2 47 A 15.086 15.387 1.220 1.00 21.56 ? 60 TYR H CE1 1 ATOM 587 C CE2 . TYR B 2 47 A 16.723 15.593 3.051 1.00 24.00 ? 60 TYR H CE2 1 ATOM 588 C CZ . TYR B 2 47 A 15.927 16.194 2.026 1.00 24.20 ? 60 TYR H CZ 1 ATOM 589 O OH . TYR B 2 47 A 15.982 17.555 1.797 1.00 25.22 ? 60 TYR H OH 1 ATOM 590 N N . PRO B 2 48 B 18.303 11.322 -0.101 1.00 26.82 ? 60 PRO H N 1 ATOM 591 C CA . PRO B 2 48 B 19.746 11.459 -0.381 1.00 27.24 ? 60 PRO H CA 1 ATOM 592 C C . PRO B 2 48 B 20.516 12.599 0.293 1.00 27.98 ? 60 PRO H C 1 ATOM 593 O O . PRO B 2 48 B 21.695 12.434 0.637 1.00 30.03 ? 60 PRO H O 1 ATOM 594 C CB . PRO B 2 48 B 19.792 11.595 -1.893 1.00 26.80 ? 60 PRO H CB 1 ATOM 595 C CG . PRO B 2 48 B 18.635 10.771 -2.337 1.00 26.10 ? 60 PRO H CG 1 ATOM 596 C CD . PRO B 2 48 B 17.546 11.206 -1.350 1.00 24.61 ? 60 PRO H CD 1 ATOM 597 N N . PRO B 2 49 C 19.892 13.777 0.464 1.00 27.50 ? 60 PRO H N 1 ATOM 598 C CA . PRO B 2 49 C 20.638 14.886 1.114 1.00 27.62 ? 60 PRO H CA 1 ATOM 599 C C . PRO B 2 49 C 21.124 14.541 2.522 1.00 28.67 ? 60 PRO H C 1 ATOM 600 O O . PRO B 2 49 C 22.071 15.136 3.022 1.00 30.30 ? 60 PRO H O 1 ATOM 601 C CB . PRO B 2 49 C 19.629 16.056 1.075 1.00 25.43 ? 60 PRO H CB 1 ATOM 602 C CG . PRO B 2 49 C 18.850 15.740 -0.198 1.00 24.25 ? 60 PRO H CG 1 ATOM 603 C CD . PRO B 2 49 C 18.595 14.252 -0.062 1.00 23.89 ? 60 PRO H CD 1 ATOM 604 N N . TRP B 2 50 D 20.456 13.588 3.159 1.00 29.10 ? 60 TRP H N 1 ATOM 605 C CA . TRP B 2 50 D 20.852 13.110 4.482 1.00 29.19 ? 60 TRP H CA 1 ATOM 606 C C . TRP B 2 50 D 21.424 11.658 4.357 1.00 30.12 ? 60 TRP H C 1 ATOM 607 O O . TRP B 2 50 D 21.478 10.907 5.329 1.00 29.47 ? 60 TRP H O 1 ATOM 608 C CB . TRP B 2 50 D 19.650 13.113 5.444 1.00 30.06 ? 60 TRP H CB 1 ATOM 609 C CG . TRP B 2 50 D 19.107 14.504 5.823 1.00 30.58 ? 60 TRP H CG 1 ATOM 610 C CD1 . TRP B 2 50 D 19.714 15.722 5.632 1.00 29.77 ? 60 TRP H CD1 1 ATOM 611 C CD2 . TRP B 2 50 D 17.869 14.781 6.506 1.00 31.40 ? 60 TRP H CD2 1 ATOM 612 N NE1 . TRP B 2 50 D 18.934 16.730 6.148 1.00 30.18 ? 60 TRP H NE1 1 ATOM 613 C CE2 . TRP B 2 50 D 17.801 16.179 6.700 1.00 32.06 ? 60 TRP H CE2 1 ATOM 614 C CE3 . TRP B 2 50 D 16.829 13.987 6.978 1.00 31.80 ? 60 TRP H CE3 1 ATOM 615 C CZ2 . TRP B 2 50 D 16.723 16.798 7.360 1.00 33.10 ? 60 TRP H CZ2 1 ATOM 616 C CZ3 . TRP B 2 50 D 15.738 14.611 7.637 1.00 32.74 ? 60 TRP H CZ3 1 ATOM 617 C CH2 . TRP B 2 50 D 15.707 16.001 7.818 1.00 32.16 ? 60 TRP H CH2 1 ATOM 618 N N . ASP B 2 51 E 21.838 11.272 3.155 1.00 30.45 ? 60 ASP H N 1 ATOM 619 C CA . ASP B 2 51 E 22.438 9.945 2.943 1.00 32.54 ? 60 ASP H CA 1 ATOM 620 C C . ASP B 2 51 E 21.479 8.822 3.368 1.00 32.94 ? 60 ASP H C 1 ATOM 621 O O . ASP B 2 51 E 21.911 7.781 3.878 1.00 32.63 ? 60 ASP H O 1 ATOM 622 C CB . ASP B 2 51 E 23.755 9.829 3.740 1.00 33.52 ? 60 ASP H CB 1 ATOM 623 C CG . ASP B 2 51 E 24.580 8.591 3.340 1.00 35.99 ? 60 ASP H CG 1 ATOM 624 O OD1 . ASP B 2 51 E 25.343 8.055 4.211 1.00 34.21 ? 60 ASP H OD1 1 ATOM 625 O OD2 . ASP B 2 51 E 24.462 8.166 2.154 1.00 36.61 ? 60 ASP H OD2 1 ATOM 626 N N . LYS B 2 52 F 20.188 9.033 3.128 1.00 30.86 ? 60 LYS H N 1 ATOM 627 C CA . LYS B 2 52 F 19.173 8.060 3.526 1.00 30.57 ? 60 LYS H CA 1 ATOM 628 C C . LYS B 2 52 F 18.575 7.265 2.317 1.00 29.74 ? 60 LYS H C 1 ATOM 629 O O . LYS B 2 52 F 18.026 7.865 1.358 1.00 26.35 ? 60 LYS H O 1 ATOM 630 C CB . LYS B 2 52 F 18.081 8.856 4.289 1.00 30.34 ? 60 LYS H CB 1 ATOM 631 C CG . LYS B 2 52 F 17.044 8.097 5.051 1.00 34.38 ? 60 LYS H CG 1 ATOM 632 C CD . LYS B 2 52 F 16.071 9.108 5.795 1.00 35.61 ? 60 LYS H CD 1 ATOM 633 C CE . LYS B 2 52 F 16.648 9.770 7.056 1.00 36.50 ? 60 LYS H CE 1 ATOM 634 N NZ . LYS B 2 52 F 16.958 8.850 8.255 1.00 36.15 ? 60 LYS H NZ 1 ATOM 635 N N . ASN B 2 53 G 18.650 5.937 2.374 1.00 28.56 ? 60 ASN H N 1 ATOM 636 C CA . ASN B 2 53 G 18.083 5.102 1.293 1.00 34.03 ? 60 ASN H CA 1 ATOM 637 C C . ASN B 2 53 G 17.935 3.688 1.851 1.00 34.18 ? 60 ASN H C 1 ATOM 638 O O . ASN B 2 53 G 18.803 2.858 1.646 1.00 35.48 ? 60 ASN H O 1 ATOM 639 C CB . ASN B 2 53 G 19.007 5.084 0.031 1.00 34.37 ? 60 ASN H CB 1 ATOM 640 C CG . ASN B 2 53 G 18.360 4.342 -1.173 1.00 40.18 ? 60 ASN H CG 1 ATOM 641 O OD1 . ASN B 2 53 G 17.288 3.757 -1.048 1.00 37.34 ? 60 ASN H OD1 1 ATOM 642 N ND2 . ASN B 2 53 G 19.002 4.375 -2.337 1.00 46.07 ? 60 ASN H ND2 1 ATOM 643 N N . PHE B 2 54 H 16.849 3.411 2.563 1.00 35.23 ? 60 PHE H N 1 ATOM 644 C CA . PHE B 2 54 H 16.662 2.096 3.203 1.00 35.22 ? 60 PHE H CA 1 ATOM 645 C C . PHE B 2 54 H 15.994 1.028 2.358 1.00 36.61 ? 60 PHE H C 1 ATOM 646 O O . PHE B 2 54 H 15.204 1.325 1.449 1.00 35.06 ? 60 PHE H O 1 ATOM 647 C CB . PHE B 2 54 H 15.822 2.229 4.466 1.00 33.97 ? 60 PHE H CB 1 ATOM 648 C CG . PHE B 2 54 H 16.471 3.000 5.579 1.00 34.16 ? 60 PHE H CG 1 ATOM 649 C CD1 . PHE B 2 54 H 17.505 2.448 6.321 1.00 34.25 ? 60 PHE H CD1 1 ATOM 650 C CD2 . PHE B 2 54 H 15.988 4.249 5.946 1.00 35.35 ? 60 PHE H CD2 1 ATOM 651 C CE1 . PHE B 2 54 H 18.051 3.115 7.414 1.00 35.49 ? 60 PHE H CE1 1 ATOM 652 C CE2 . PHE B 2 54 H 16.519 4.936 7.035 1.00 34.57 ? 60 PHE H CE2 1 ATOM 653 C CZ . PHE B 2 54 H 17.553 4.376 7.779 1.00 35.88 ? 60 PHE H CZ 1 ATOM 654 N N . THR B 2 55 I 16.312 -0.228 2.654 1.00 38.67 ? 60 THR H N 1 ATOM 655 C CA . THR B 2 55 I 15.663 -1.335 1.941 1.00 41.37 ? 60 THR H CA 1 ATOM 656 C C . THR B 2 55 I 14.893 -2.057 3.054 1.00 41.30 ? 60 THR H C 1 ATOM 657 O O . THR B 2 55 I 15.123 -1.769 4.219 1.00 40.26 ? 60 THR H O 1 ATOM 658 C CB . THR B 2 55 I 16.690 -2.334 1.293 1.00 42.39 ? 60 THR H CB 1 ATOM 659 O OG1 . THR B 2 55 I 17.462 -2.968 2.326 1.00 43.91 ? 60 THR H OG1 1 ATOM 660 C CG2 . THR B 2 55 I 17.653 -1.593 0.317 1.00 43.47 ? 60 THR H CG2 1 ATOM 661 N N . GLU B 2 56 ? 14.015 -2.993 2.683 1.00 42.09 ? 61 GLU H N 1 ATOM 662 C CA . GLU B 2 56 ? 13.197 -3.774 3.614 1.00 41.78 ? 61 GLU H CA 1 ATOM 663 C C . GLU B 2 56 ? 13.963 -4.389 4.781 1.00 41.73 ? 61 GLU H C 1 ATOM 664 O O . GLU B 2 56 ? 13.605 -4.221 5.960 1.00 40.01 ? 61 GLU H O 1 ATOM 665 C CB . GLU B 2 56 ? 12.481 -4.887 2.843 1.00 44.70 ? 61 GLU H CB 1 ATOM 666 C CG . GLU B 2 56 ? 11.831 -4.457 1.548 1.00 48.06 ? 61 GLU H CG 1 ATOM 667 C CD . GLU B 2 56 ? 12.804 -4.432 0.379 1.00 50.96 ? 61 GLU H CD 1 ATOM 668 O OE1 . GLU B 2 56 ? 13.658 -3.517 0.328 1.00 52.41 ? 61 GLU H OE1 1 ATOM 669 O OE2 . GLU B 2 56 ? 12.727 -5.338 -0.486 1.00 53.48 ? 61 GLU H OE2 1 ATOM 670 N N . ASN B 2 57 ? 15.041 -5.094 4.443 1.00 42.54 ? 62 ASN H N 1 ATOM 671 C CA . ASN B 2 57 ? 15.888 -5.740 5.426 1.00 42.97 ? 62 ASN H CA 1 ATOM 672 C C . ASN B 2 57 ? 16.468 -4.842 6.486 1.00 41.61 ? 62 ASN H C 1 ATOM 673 O O . ASN B 2 57 ? 16.830 -5.339 7.560 1.00 41.61 ? 62 ASN H O 1 ATOM 674 C CB . ASN B 2 57 ? 17.048 -6.433 4.728 1.00 47.57 ? 62 ASN H CB 1 ATOM 675 C CG . ASN B 2 57 ? 16.596 -7.591 3.875 1.00 52.14 ? 62 ASN H CG 1 ATOM 676 O OD1 . ASN B 2 57 ? 16.275 -8.672 4.397 1.00 54.75 ? 62 ASN H OD1 1 ATOM 677 N ND2 . ASN B 2 57 ? 16.531 -7.371 2.553 1.00 54.75 ? 62 ASN H ND2 1 ATOM 678 N N . ASP B 2 58 ? 16.568 -3.532 6.222 1.00 39.09 ? 63 ASP H N 1 ATOM 679 C CA . ASP B 2 58 ? 17.197 -2.638 7.211 1.00 37.20 ? 63 ASP H CA 1 ATOM 680 C C . ASP B 2 58 ? 16.266 -2.123 8.308 1.00 35.80 ? 63 ASP H C 1 ATOM 681 O O . ASP B 2 58 ? 16.705 -1.444 9.221 1.00 35.59 ? 63 ASP H O 1 ATOM 682 C CB . ASP B 2 58 ? 17.818 -1.403 6.517 1.00 40.71 ? 63 ASP H CB 1 ATOM 683 C CG . ASP B 2 58 ? 18.681 -1.758 5.288 1.00 42.75 ? 63 ASP H CG 1 ATOM 684 O OD1 . ASP B 2 58 ? 18.432 -1.198 4.178 1.00 43.85 ? 63 ASP H OD1 1 ATOM 685 O OD2 . ASP B 2 58 ? 19.600 -2.593 5.427 1.00 43.69 ? 63 ASP H OD2 1 ATOM 686 N N . LEU B 2 59 ? 14.992 -2.479 8.259 1.00 34.65 ? 64 LEU H N 1 ATOM 687 C CA . LEU B 2 59 ? 14.055 -1.893 9.204 1.00 35.05 ? 64 LEU H CA 1 ATOM 688 C C . LEU B 2 59 ? 13.096 -2.859 9.823 1.00 34.20 ? 64 LEU H C 1 ATOM 689 O O . LEU B 2 59 ? 13.035 -4.010 9.468 1.00 34.43 ? 64 LEU H O 1 ATOM 690 C CB . LEU B 2 59 ? 13.192 -0.836 8.471 1.00 32.51 ? 64 LEU H CB 1 ATOM 691 C CG . LEU B 2 59 ? 13.854 0.260 7.613 1.00 32.25 ? 64 LEU H CG 1 ATOM 692 C CD1 . LEU B 2 59 ? 12.910 0.661 6.503 1.00 31.98 ? 64 LEU H CD1 1 ATOM 693 C CD2 . LEU B 2 59 ? 14.274 1.472 8.460 1.00 31.00 ? 64 LEU H CD2 1 ATOM 694 N N . LEU B 2 60 ? 12.323 -2.349 10.755 1.00 34.74 ? 65 LEU H N 1 ATOM 695 C CA . LEU B 2 60 ? 11.282 -3.108 11.372 1.00 34.35 ? 65 LEU H CA 1 ATOM 696 C C . LEU B 2 60 ? 10.286 -2.138 11.978 1.00 33.38 ? 65 LEU H C 1 ATOM 697 O O . LEU B 2 60 ? 10.588 -0.959 12.204 1.00 32.63 ? 65 LEU H O 1 ATOM 698 C CB . LEU B 2 60 ? 11.830 -4.226 12.345 1.00 35.71 ? 65 LEU H CB 1 ATOM 699 C CG . LEU B 2 60 ? 12.273 -3.955 13.811 1.00 38.19 ? 65 LEU H CG 1 ATOM 700 C CD1 . LEU B 2 60 ? 13.799 -4.036 13.895 1.00 38.66 ? 65 LEU H CD1 1 ATOM 701 C CD2 . LEU B 2 60 ? 11.758 -2.605 14.278 1.00 38.69 ? 65 LEU H CD2 1 ATOM 702 N N . VAL B 2 61 ? 9.101 -2.646 12.243 1.00 31.70 ? 66 VAL H N 1 ATOM 703 C CA . VAL B 2 61 ? 8.120 -1.789 12.825 1.00 31.18 ? 66 VAL H CA 1 ATOM 704 C C . VAL B 2 61 ? 7.542 -2.294 14.174 1.00 30.12 ? 66 VAL H C 1 ATOM 705 O O . VAL B 2 61 ? 7.468 -3.519 14.415 1.00 28.80 ? 66 VAL H O 1 ATOM 706 C CB . VAL B 2 61 ? 7.063 -1.609 11.757 1.00 32.72 ? 66 VAL H CB 1 ATOM 707 C CG1 . VAL B 2 61 ? 6.126 -2.852 11.652 1.00 30.56 ? 66 VAL H CG1 1 ATOM 708 C CG2 . VAL B 2 61 ? 6.427 -0.367 11.967 1.00 36.03 ? 66 VAL H CG2 1 ATOM 709 N N . ARG B 2 62 ? 7.182 -1.365 15.056 1.00 26.72 ? 67 ARG H N 1 ATOM 710 C CA . ARG B 2 62 ? 6.549 -1.762 16.303 1.00 28.08 ? 67 ARG H CA 1 ATOM 711 C C . ARG B 2 62 ? 5.108 -1.190 16.386 1.00 26.67 ? 67 ARG H C 1 ATOM 712 O O . ARG B 2 62 ? 4.870 -0.027 16.110 1.00 23.58 ? 67 ARG H O 1 ATOM 713 C CB . ARG B 2 62 ? 7.396 -1.360 17.516 1.00 29.32 ? 67 ARG H CB 1 ATOM 714 C CG . ARG B 2 62 ? 8.732 -2.138 17.539 1.00 31.76 ? 67 ARG H CG 1 ATOM 715 C CD . ARG B 2 62 ? 9.510 -1.936 18.841 1.00 33.59 ? 67 ARG H CD 1 ATOM 716 N NE . ARG B 2 62 ? 10.801 -2.604 18.753 1.00 37.54 ? 67 ARG H NE 1 ATOM 717 C CZ . ARG B 2 62 ? 11.025 -3.899 18.988 1.00 38.91 ? 67 ARG H CZ 1 ATOM 718 N NH1 . ARG B 2 62 ? 10.039 -4.716 19.334 1.00 39.43 ? 67 ARG H NH1 1 ATOM 719 N NH2 . ARG B 2 62 ? 12.267 -4.382 18.896 1.00 40.94 ? 67 ARG H NH2 1 ATOM 720 N N . ILE B 2 63 ? 4.167 -2.031 16.814 1.00 24.46 ? 68 ILE H N 1 ATOM 721 C CA . ILE B 2 63 ? 2.773 -1.635 16.818 1.00 24.42 ? 68 ILE H CA 1 ATOM 722 C C . ILE B 2 63 ? 2.171 -1.877 18.187 1.00 24.64 ? 68 ILE H C 1 ATOM 723 O O . ILE B 2 63 ? 2.573 -2.801 18.878 1.00 23.86 ? 68 ILE H O 1 ATOM 724 C CB . ILE B 2 63 ? 2.042 -2.498 15.779 1.00 23.39 ? 68 ILE H CB 1 ATOM 725 C CG1 . ILE B 2 63 ? 2.903 -2.600 14.498 1.00 23.33 ? 68 ILE H CG1 1 ATOM 726 C CG2 . ILE B 2 63 ? 0.635 -1.953 15.494 1.00 19.20 ? 68 ILE H CG2 1 ATOM 727 C CD1 . ILE B 2 63 ? 2.230 -3.628 13.397 1.00 21.96 ? 68 ILE H CD1 1 ATOM 728 N N . GLY B 2 64 ? 1.169 -1.086 18.556 1.00 26.59 ? 69 GLY H N 1 ATOM 729 C CA . GLY B 2 64 ? 0.562 -1.227 19.883 1.00 27.07 ? 69 GLY H CA 1 ATOM 730 C C . GLY B 2 64 ? 1.571 -0.950 20.991 1.00 29.29 ? 69 GLY H C 1 ATOM 731 O O . GLY B 2 64 ? 1.480 -1.592 22.047 1.00 28.12 ? 69 GLY H O 1 ATOM 732 N N . LYS B 2 65 ? 2.533 -0.027 20.780 1.00 31.12 ? 70 LYS H N 1 ATOM 733 C CA . LYS B 2 65 ? 3.596 0.252 21.795 1.00 31.59 ? 70 LYS H CA 1 ATOM 734 C C . LYS B 2 65 ? 3.378 1.537 22.580 1.00 33.93 ? 70 LYS H C 1 ATOM 735 O O . LYS B 2 65 ? 3.398 2.617 22.012 1.00 35.53 ? 70 LYS H O 1 ATOM 736 C CB . LYS B 2 65 ? 5.008 0.242 21.143 1.00 31.92 ? 70 LYS H CB 1 ATOM 737 C CG . LYS B 2 65 ? 6.212 0.575 22.095 1.00 31.61 ? 70 LYS H CG 1 ATOM 738 C CD . LYS B 2 65 ? 7.534 0.224 21.451 1.00 35.33 ? 70 LYS H CD 1 ATOM 739 C CE . LYS B 2 65 ? 8.731 0.173 22.439 1.00 37.08 ? 70 LYS H CE 1 ATOM 740 N NZ . LYS B 2 65 ? 8.483 -0.705 23.622 1.00 34.07 ? 70 LYS H NZ 1 ATOM 741 N N . HIS B 2 66 ? 3.250 1.439 23.900 1.00 33.83 ? 71 HIS H N 1 ATOM 742 C CA . HIS B 2 66 ? 2.923 2.622 24.694 1.00 34.41 ? 71 HIS H CA 1 ATOM 743 C C . HIS B 2 66 ? 4.110 3.302 25.380 1.00 35.55 ? 71 HIS H C 1 ATOM 744 O O . HIS B 2 66 ? 4.062 4.500 25.648 1.00 35.60 ? 71 HIS H O 1 ATOM 745 C CB A HIS B 2 66 ? 1.897 2.211 25.761 0.60 32.25 ? 71 HIS H CB 1 ATOM 746 C CB B HIS B 2 66 ? 1.831 2.302 25.738 0.40 34.50 ? 71 HIS H CB 1 ATOM 747 C CG A HIS B 2 66 ? 0.721 1.460 25.215 0.60 29.88 ? 71 HIS H CG 1 ATOM 748 C CG B HIS B 2 66 ? 1.186 3.519 26.346 0.40 34.40 ? 71 HIS H CG 1 ATOM 749 N ND1 A HIS B 2 66 ? 0.006 0.556 25.963 0.60 26.67 ? 71 HIS H ND1 1 ATOM 750 N ND1 B HIS B 2 66 ? 0.273 4.303 25.670 0.40 34.15 ? 71 HIS H ND1 1 ATOM 751 C CD2 A HIS B 2 66 ? 0.118 1.503 24.004 0.60 29.66 ? 71 HIS H CD2 1 ATOM 752 C CD2 B HIS B 2 66 ? 1.327 4.083 27.571 0.40 33.75 ? 71 HIS H CD2 1 ATOM 753 C CE1 A HIS B 2 66 ? -0.984 0.077 25.239 0.60 28.58 ? 71 HIS H CE1 1 ATOM 754 C CE1 B HIS B 2 66 ? -0.120 5.294 26.449 0.40 33.52 ? 71 HIS H CE1 1 ATOM 755 N NE2 A HIS B 2 66 ? -0.940 0.636 24.046 0.60 28.10 ? 71 HIS H NE2 1 ATOM 756 N NE2 B HIS B 2 66 ? 0.505 5.183 27.610 0.40 33.44 ? 71 HIS H NE2 1 ATOM 757 N N . SER B 2 67 ? 5.174 2.550 25.649 1.00 38.56 ? 72 SER H N 1 ATOM 758 C CA . SER B 2 67 ? 6.342 3.101 26.329 1.00 39.75 ? 72 SER H CA 1 ATOM 759 C C . SER B 2 67 ? 7.574 3.028 25.456 1.00 41.13 ? 72 SER H C 1 ATOM 760 O O . SER B 2 67 ? 7.853 1.995 24.848 1.00 40.45 ? 72 SER H O 1 ATOM 761 C CB . SER B 2 67 ? 6.613 2.330 27.635 1.00 39.77 ? 72 SER H CB 1 ATOM 762 O OG . SER B 2 67 ? 8.018 2.272 27.926 1.00 40.95 ? 72 SER H OG 1 ATOM 763 N N . ARG B 2 68 ? 8.326 4.123 25.409 1.00 43.04 ? 73 ARG H N 1 ATOM 764 C CA . ARG B 2 68 ? 9.568 4.176 24.617 1.00 45.02 ? 73 ARG H CA 1 ATOM 765 C C . ARG B 2 68 ? 10.618 3.160 25.065 1.00 44.38 ? 73 ARG H C 1 ATOM 766 O O . ARG B 2 68 ? 11.330 2.580 24.249 1.00 45.32 ? 73 ARG H O 1 ATOM 767 C CB . ARG B 2 68 ? 10.187 5.582 24.711 1.00 47.51 ? 73 ARG H CB 1 ATOM 768 C CG . ARG B 2 68 ? 9.664 6.552 23.681 1.00 50.91 ? 73 ARG H CG 1 ATOM 769 C CD . ARG B 2 68 ? 10.706 6.744 22.565 1.00 51.71 ? 73 ARG H CD 1 ATOM 770 N NE . ARG B 2 68 ? 11.327 5.482 22.159 1.00 52.44 ? 73 ARG H NE 1 ATOM 771 C CZ . ARG B 2 68 ? 12.482 5.401 21.491 1.00 52.08 ? 73 ARG H CZ 1 ATOM 772 N NH1 . ARG B 2 68 ? 13.123 6.522 21.164 1.00 50.31 ? 73 ARG H NH1 1 ATOM 773 N NH2 . ARG B 2 68 ? 12.988 4.206 21.153 1.00 50.78 ? 73 ARG H NH2 1 ATOM 774 N N . THR B 2 69 ? 10.710 2.943 26.371 1.00 44.17 ? 74 THR H N 1 ATOM 775 C CA . THR B 2 69 ? 11.693 2.027 26.903 1.00 44.99 ? 74 THR H CA 1 ATOM 776 C C . THR B 2 69 ? 11.292 0.581 27.195 1.00 44.85 ? 74 THR H C 1 ATOM 777 O O . THR B 2 69 ? 11.998 -0.331 26.760 1.00 45.48 ? 74 THR H O 1 ATOM 778 C CB . THR B 2 69 ? 12.312 2.597 28.170 1.00 46.50 ? 74 THR H CB 1 ATOM 779 O OG1 . THR B 2 69 ? 11.274 2.902 29.117 1.00 47.51 ? 74 THR H OG1 1 ATOM 780 C CG2 . THR B 2 69 ? 13.098 3.863 27.830 1.00 46.96 ? 74 THR H CG2 1 ATOM 781 N N . ARG B 2 70 ? 10.213 0.329 27.938 1.00 42.31 ? 75 ARG H N 1 ATOM 782 C CA . ARG B 2 70 ? 9.942 -1.079 28.157 1.00 40.55 ? 75 ARG H CA 1 ATOM 783 C C . ARG B 2 70 ? 9.043 -1.748 27.139 1.00 38.22 ? 75 ARG H C 1 ATOM 784 O O . ARG B 2 70 ? 8.153 -1.137 26.527 1.00 35.15 ? 75 ARG H O 1 ATOM 785 C CB . ARG B 2 70 ? 9.498 -1.429 29.611 1.00 41.69 ? 75 ARG H CB 1 ATOM 786 C CG . ARG B 2 70 ? 8.400 -0.606 30.282 1.00 44.10 ? 75 ARG H CG 1 ATOM 787 C CD . ARG B 2 70 ? 7.911 -1.286 31.620 1.00 42.71 ? 75 ARG H CD 1 ATOM 788 N NE . ARG B 2 70 ? 7.450 -2.645 31.354 1.00 44.61 ? 75 ARG H NE 1 ATOM 789 C CZ . ARG B 2 70 ? 6.193 -3.112 31.408 1.00 42.16 ? 75 ARG H CZ 1 ATOM 790 N NH1 . ARG B 2 70 ? 5.149 -2.371 31.735 1.00 40.65 ? 75 ARG H NH1 1 ATOM 791 N NH2 . ARG B 2 70 ? 5.989 -4.381 31.107 1.00 43.81 ? 75 ARG H NH2 1 ATOM 792 N N . TYR B 2 71 ? 9.378 -3.013 26.944 1.00 35.51 ? 76 TYR H N 1 ATOM 793 C CA . TYR B 2 71 ? 8.684 -3.909 26.048 1.00 35.60 ? 76 TYR H CA 1 ATOM 794 C C . TYR B 2 71 ? 7.470 -4.422 26.850 1.00 35.39 ? 76 TYR H C 1 ATOM 795 O O . TYR B 2 71 ? 7.638 -5.090 27.893 1.00 33.99 ? 76 TYR H O 1 ATOM 796 C CB . TYR B 2 71 ? 9.623 -5.056 25.718 1.00 34.84 ? 76 TYR H CB 1 ATOM 797 C CG . TYR B 2 71 ? 9.014 -6.151 24.905 1.00 36.86 ? 76 TYR H CG 1 ATOM 798 C CD1 . TYR B 2 71 ? 8.803 -5.977 23.548 1.00 36.75 ? 76 TYR H CD1 1 ATOM 799 C CD2 . TYR B 2 71 ? 8.593 -7.370 25.503 1.00 36.91 ? 76 TYR H CD2 1 ATOM 800 C CE1 . TYR B 2 71 ? 8.167 -6.981 22.772 1.00 36.99 ? 76 TYR H CE1 1 ATOM 801 C CE2 . TYR B 2 71 ? 7.970 -8.384 24.735 1.00 36.51 ? 76 TYR H CE2 1 ATOM 802 C CZ . TYR B 2 71 ? 7.761 -8.163 23.363 1.00 37.60 ? 76 TYR H CZ 1 ATOM 803 O OH . TYR B 2 71 ? 7.154 -9.105 22.549 1.00 39.75 ? 76 TYR H OH 1 ATOM 804 N N . GLU B 2 72 ? 6.271 -4.088 26.385 1.00 34.78 ? 77 GLU H N 1 ATOM 805 C CA . GLU B 2 72 ? 5.025 -4.518 27.031 1.00 33.72 ? 77 GLU H CA 1 ATOM 806 C C . GLU B 2 72 ? 4.628 -5.842 26.418 1.00 32.43 ? 77 GLU H C 1 ATOM 807 O O . GLU B 2 72 ? 3.894 -5.894 25.407 1.00 29.02 ? 77 GLU H O 1 ATOM 808 C CB . GLU B 2 72 ? 3.867 -3.525 26.824 1.00 37.20 ? 77 GLU H CB 1 ATOM 809 C CG . GLU B 2 72 ? 4.168 -2.036 27.127 1.00 42.37 ? 77 GLU H CG 1 ATOM 810 C CD . GLU B 2 72 ? 4.181 -1.159 25.808 1.00 46.87 ? 77 GLU H CD 1 ATOM 811 O OE1 . GLU B 2 72 ? 5.223 -0.422 25.619 1.00 43.46 ? 77 GLU H OE1 1 ATOM 812 O OE2 . GLU B 2 72 ? 3.150 -1.235 24.993 1.00 43.23 ? 77 GLU H OE2 1 ATOM 813 N N . ARG B 2 73 A 5.112 -6.897 27.073 1.00 31.10 ? 77 ARG H N 1 ATOM 814 C CA . ARG B 2 73 A 4.907 -8.271 26.658 1.00 30.82 ? 77 ARG H CA 1 ATOM 815 C C . ARG B 2 73 A 3.435 -8.523 26.405 1.00 30.44 ? 77 ARG H C 1 ATOM 816 O O . ARG B 2 73 A 2.573 -8.137 27.219 1.00 27.41 ? 77 ARG H O 1 ATOM 817 C CB . ARG B 2 73 A 5.445 -9.232 27.732 1.00 29.40 ? 77 ARG H CB 1 ATOM 818 C CG . ARG B 2 73 A 5.371 -10.710 27.359 1.00 31.12 ? 77 ARG H CG 1 ATOM 819 C CD . ARG B 2 73 A 5.880 -11.640 28.500 1.00 32.55 ? 77 ARG H CD 1 ATOM 820 N NE . ARG B 2 73 A 5.280 -12.998 28.441 1.00 37.50 ? 77 ARG H NE 1 ATOM 821 C CZ . ARG B 2 73 A 4.043 -13.307 28.852 1.00 37.54 ? 77 ARG H CZ 1 ATOM 822 N NH1 . ARG B 2 73 A 3.210 -12.376 29.378 1.00 37.95 ? 77 ARG H NH1 1 ATOM 823 N NH2 . ARG B 2 73 A 3.632 -14.555 28.730 1.00 39.39 ? 77 ARG H NH2 1 ATOM 824 N N . ASN B 2 74 ? 3.172 -9.125 25.243 1.00 30.73 ? 78 ASN H N 1 ATOM 825 C CA . ASN B 2 74 ? 1.812 -9.474 24.822 1.00 32.86 ? 78 ASN H CA 1 ATOM 826 C C . ASN B 2 74 ? 0.884 -8.292 24.501 1.00 32.13 ? 78 ASN H C 1 ATOM 827 O O . ASN B 2 74 ? -0.325 -8.462 24.299 1.00 31.85 ? 78 ASN H O 1 ATOM 828 C CB . ASN B 2 74 ? 1.169 -10.418 25.855 1.00 35.72 ? 78 ASN H CB 1 ATOM 829 C CG . ASN B 2 74 ? 1.777 -11.824 25.793 1.00 37.35 ? 78 ASN H CG 1 ATOM 830 O OD1 . ASN B 2 74 ? 2.546 -12.101 24.900 1.00 39.81 ? 78 ASN H OD1 1 ATOM 831 N ND2 . ASN B 2 74 ? 1.425 -12.698 26.723 1.00 38.26 ? 78 ASN H ND2 1 ATOM 832 N N . ILE B 2 75 ? 1.448 -7.091 24.464 1.00 31.51 ? 79 ILE H N 1 ATOM 833 C CA . ILE B 2 75 ? 0.652 -5.942 24.093 1.00 30.59 ? 79 ILE H CA 1 ATOM 834 C C . ILE B 2 75 ? 1.199 -5.386 22.779 1.00 31.02 ? 79 ILE H C 1 ATOM 835 O O . ILE B 2 75 ? 0.470 -5.360 21.749 1.00 30.74 ? 79 ILE H O 1 ATOM 836 C CB . ILE B 2 75 ? 0.602 -4.919 25.248 1.00 30.86 ? 79 ILE H CB 1 ATOM 837 C CG1 . ILE B 2 75 ? -0.176 -5.583 26.417 1.00 30.33 ? 79 ILE H CG1 1 ATOM 838 C CG2 . ILE B 2 75 ? -0.115 -3.615 24.788 1.00 29.58 ? 79 ILE H CG2 1 ATOM 839 C CD1 . ILE B 2 75 ? -0.169 -4.843 27.694 1.00 34.66 ? 79 ILE H CD1 1 ATOM 840 N N . GLU B 2 76 ? 2.449 -4.921 22.774 1.00 31.17 ? 80 GLU H N 1 ATOM 841 C CA . GLU B 2 76 ? 3.038 -4.442 21.499 1.00 30.73 ? 80 GLU H CA 1 ATOM 842 C C . GLU B 2 76 ? 3.359 -5.706 20.675 1.00 30.63 ? 80 GLU H C 1 ATOM 843 O O . GLU B 2 76 ? 3.454 -6.829 21.238 1.00 29.58 ? 80 GLU H O 1 ATOM 844 C CB . GLU B 2 76 ? 4.327 -3.650 21.707 1.00 29.76 ? 80 GLU H CB 1 ATOM 845 C CG . GLU B 2 76 ? 5.391 -4.358 22.547 1.00 32.49 ? 80 GLU H CG 1 ATOM 846 C CD . GLU B 2 76 ? 6.669 -3.509 22.668 1.00 31.90 ? 80 GLU H CD 1 ATOM 847 O OE1 . GLU B 2 76 ? 7.523 -3.555 21.762 1.00 31.09 ? 80 GLU H OE1 1 ATOM 848 O OE2 . GLU B 2 76 ? 6.782 -2.767 23.646 1.00 31.73 ? 80 GLU H OE2 1 ATOM 849 N N . LYS B 2 77 ? 3.494 -5.507 19.367 1.00 29.71 ? 81 LYS H N 1 ATOM 850 C CA . LYS B 2 77 ? 3.812 -6.554 18.394 1.00 30.20 ? 81 LYS H CA 1 ATOM 851 C C . LYS B 2 77 ? 4.934 -6.014 17.457 1.00 31.73 ? 81 LYS H C 1 ATOM 852 O O . LYS B 2 77 ? 5.197 -4.796 17.364 1.00 28.48 ? 81 LYS H O 1 ATOM 853 C CB . LYS B 2 77 ? 2.588 -6.894 17.530 1.00 30.48 ? 81 LYS H CB 1 ATOM 854 C CG . LYS B 2 77 ? 1.420 -7.563 18.236 1.00 28.73 ? 81 LYS H CG 1 ATOM 855 C CD . LYS B 2 77 ? 1.871 -8.845 18.959 1.00 30.21 ? 81 LYS H CD 1 ATOM 856 C CE . LYS B 2 77 ? 0.696 -9.600 19.599 1.00 28.18 ? 81 LYS H CE 1 ATOM 857 N NZ . LYS B 2 77 ? 1.160 -10.641 20.588 1.00 29.16 ? 81 LYS H NZ 1 ATOM 858 N N . ILE B 2 78 ? 5.560 -6.922 16.733 1.00 31.79 ? 82 ILE H N 1 ATOM 859 C CA . ILE B 2 78 ? 6.626 -6.518 15.845 1.00 33.42 ? 82 ILE H CA 1 ATOM 860 C C . ILE B 2 78 ? 6.514 -7.225 14.507 1.00 35.02 ? 82 ILE H C 1 ATOM 861 O O . ILE B 2 78 ? 6.050 -8.368 14.424 1.00 35.67 ? 82 ILE H O 1 ATOM 862 C CB . ILE B 2 78 ? 7.966 -6.907 16.405 1.00 34.48 ? 82 ILE H CB 1 ATOM 863 C CG1 . ILE B 2 78 ? 9.096 -6.333 15.533 1.00 36.26 ? 82 ILE H CG1 1 ATOM 864 C CG2 . ILE B 2 78 ? 8.083 -8.379 16.369 1.00 35.11 ? 82 ILE H CG2 1 ATOM 865 C CD1 . ILE B 2 78 ? 10.375 -6.086 16.254 1.00 36.66 ? 82 ILE H CD1 1 ATOM 866 N N . SER B 2 79 ? 6.923 -6.536 13.454 1.00 34.16 ? 83 SER H N 1 ATOM 867 C CA . SER B 2 79 ? 6.946 -7.146 12.156 1.00 34.19 ? 83 SER H CA 1 ATOM 868 C C . SER B 2 79 ? 8.120 -6.615 11.403 1.00 33.66 ? 83 SER H C 1 ATOM 869 O O . SER B 2 79 ? 8.590 -5.485 11.634 1.00 32.24 ? 83 SER H O 1 ATOM 870 C CB . SER B 2 79 ? 5.662 -6.859 11.380 1.00 36.06 ? 83 SER H CB 1 ATOM 871 O OG . SER B 2 79 ? 5.008 -5.733 11.942 1.00 40.24 ? 83 SER H OG 1 ATOM 872 N N . MET B 2 80 ? 8.604 -7.482 10.531 1.00 33.85 ? 84 MET H N 1 ATOM 873 C CA . MET B 2 80 ? 9.686 -7.197 9.640 1.00 34.84 ? 84 MET H CA 1 ATOM 874 C C . MET B 2 80 ? 8.924 -6.818 8.340 1.00 34.45 ? 84 MET H C 1 ATOM 875 O O . MET B 2 80 ? 7.725 -7.128 8.149 1.00 33.10 ? 84 MET H O 1 ATOM 876 C CB . MET B 2 80 ? 10.522 -8.467 9.376 1.00 36.95 ? 84 MET H CB 1 ATOM 877 C CG . MET B 2 80 ? 11.214 -9.043 10.562 1.00 37.69 ? 84 MET H CG 1 ATOM 878 S SD . MET B 2 80 ? 12.484 -7.931 11.090 1.00 41.98 ? 84 MET H SD 1 ATOM 879 C CE . MET B 2 80 ? 12.274 -7.947 12.875 1.00 39.45 ? 84 MET H CE 1 ATOM 880 N N . LEU B 2 81 ? 9.639 -6.187 7.427 1.00 33.18 ? 85 LEU H N 1 ATOM 881 C CA . LEU B 2 81 ? 9.050 -5.786 6.181 1.00 31.94 ? 85 LEU H CA 1 ATOM 882 C C . LEU B 2 81 ? 9.334 -6.734 5.003 1.00 32.93 ? 85 LEU H C 1 ATOM 883 O O . LEU B 2 81 ? 10.468 -7.127 4.754 1.00 31.74 ? 85 LEU H O 1 ATOM 884 C CB . LEU B 2 81 ? 9.549 -4.394 5.839 1.00 30.87 ? 85 LEU H CB 1 ATOM 885 C CG . LEU B 2 81 ? 9.510 -3.347 6.962 1.00 32.09 ? 85 LEU H CG 1 ATOM 886 C CD1 . LEU B 2 81 ? 9.782 -1.988 6.328 1.00 31.01 ? 85 LEU H CD1 1 ATOM 887 C CD2 . LEU B 2 81 ? 8.134 -3.342 7.696 1.00 31.01 ? 85 LEU H CD2 1 ATOM 888 N N . GLU B 2 82 ? 8.285 -7.064 4.269 1.00 34.34 ? 86 GLU H N 1 ATOM 889 C CA . GLU B 2 82 ? 8.401 -7.899 3.095 1.00 35.94 ? 86 GLU H CA 1 ATOM 890 C C . GLU B 2 82 ? 8.803 -6.997 1.918 1.00 35.67 ? 86 GLU H C 1 ATOM 891 O O . GLU B 2 82 ? 9.735 -7.334 1.166 1.00 35.86 ? 86 GLU H O 1 ATOM 892 C CB . GLU B 2 82 ? 7.077 -8.576 2.772 1.00 37.45 ? 86 GLU H CB 1 ATOM 893 C CG . GLU B 2 82 ? 7.158 -9.470 1.525 1.00 42.49 ? 86 GLU H CG 1 ATOM 894 C CD . GLU B 2 82 ? 5.942 -10.360 1.358 1.00 44.15 ? 86 GLU H CD 1 ATOM 895 O OE1 . GLU B 2 82 ? 5.507 -10.967 2.352 1.00 46.73 ? 86 GLU H OE1 1 ATOM 896 O OE2 . GLU B 2 82 ? 5.414 -10.468 0.236 1.00 47.98 ? 86 GLU H OE2 1 ATOM 897 N N . LYS B 2 83 ? 8.142 -5.842 1.791 1.00 33.59 ? 87 LYS H N 1 ATOM 898 C CA . LYS B 2 83 ? 8.414 -4.927 0.684 1.00 33.68 ? 87 LYS H CA 1 ATOM 899 C C . LYS B 2 83 ? 8.045 -3.475 0.949 1.00 32.71 ? 87 LYS H C 1 ATOM 900 O O . LYS B 2 83 ? 7.079 -3.189 1.646 1.00 32.19 ? 87 LYS H O 1 ATOM 901 C CB . LYS B 2 83 ? 7.648 -5.405 -0.557 1.00 34.55 ? 87 LYS H CB 1 ATOM 902 C CG . LYS B 2 83 ? 8.068 -4.760 -1.873 1.00 38.52 ? 87 LYS H CG 1 ATOM 903 C CD . LYS B 2 83 ? 9.528 -5.154 -2.277 1.00 42.56 ? 87 LYS H CD 1 ATOM 904 C CE . LYS B 2 83 ? 9.840 -4.887 -3.784 1.00 44.81 ? 87 LYS H CE 1 ATOM 905 N NZ . LYS B 2 83 ? 9.299 -3.554 -4.311 1.00 46.61 ? 87 LYS H NZ 1 ATOM 906 N N . ILE B 2 84 ? 8.774 -2.566 0.319 1.00 31.60 ? 88 ILE H N 1 ATOM 907 C CA . ILE B 2 84 ? 8.552 -1.132 0.464 1.00 31.47 ? 88 ILE H CA 1 ATOM 908 C C . ILE B 2 84 ? 8.190 -0.535 -0.871 1.00 30.30 ? 88 ILE H C 1 ATOM 909 O O . ILE B 2 84 ? 8.821 -0.882 -1.844 1.00 29.59 ? 88 ILE H O 1 ATOM 910 C CB . ILE B 2 84 ? 9.850 -0.405 0.904 1.00 33.43 ? 88 ILE H CB 1 ATOM 911 C CG1 . ILE B 2 84 ? 10.085 -0.573 2.389 1.00 35.20 ? 88 ILE H CG1 1 ATOM 912 C CG2 . ILE B 2 84 ? 9.768 1.091 0.549 1.00 36.26 ? 88 ILE H CG2 1 ATOM 913 C CD1 . ILE B 2 84 ? 11.537 -0.182 2.780 1.00 36.70 ? 88 ILE H CD1 1 ATOM 914 N N . TYR B 2 85 ? 7.199 0.367 -0.925 1.00 28.34 ? 89 TYR H N 1 ATOM 915 C CA . TYR B 2 85 ? 6.822 1.037 -2.182 1.00 27.01 ? 89 TYR H CA 1 ATOM 916 C C . TYR B 2 85 ? 6.738 2.574 -1.999 1.00 27.88 ? 89 TYR H C 1 ATOM 917 O O . TYR B 2 85 ? 5.871 3.081 -1.265 1.00 26.83 ? 89 TYR H O 1 ATOM 918 C CB . TYR B 2 85 ? 5.455 0.559 -2.674 1.00 28.41 ? 89 TYR H CB 1 ATOM 919 C CG . TYR B 2 85 ? 5.309 -0.947 -2.760 1.00 30.30 ? 89 TYR H CG 1 ATOM 920 C CD1 . TYR B 2 85 ? 5.461 -1.638 -3.979 1.00 32.09 ? 89 TYR H CD1 1 ATOM 921 C CD2 . TYR B 2 85 ? 4.980 -1.673 -1.643 1.00 30.80 ? 89 TYR H CD2 1 ATOM 922 C CE1 . TYR B 2 85 ? 5.273 -3.049 -4.049 1.00 31.95 ? 89 TYR H CE1 1 ATOM 923 C CE2 . TYR B 2 85 ? 4.786 -3.044 -1.706 1.00 34.96 ? 89 TYR H CE2 1 ATOM 924 C CZ . TYR B 2 85 ? 4.929 -3.719 -2.907 1.00 33.64 ? 89 TYR H CZ 1 ATOM 925 O OH . TYR B 2 85 ? 4.673 -5.066 -2.880 1.00 37.56 ? 89 TYR H OH 1 ATOM 926 N N . ILE B 2 86 ? 7.610 3.316 -2.676 1.00 27.20 ? 90 ILE H N 1 ATOM 927 C CA . ILE B 2 86 ? 7.634 4.793 -2.612 1.00 26.08 ? 90 ILE H CA 1 ATOM 928 C C . ILE B 2 86 ? 6.941 5.343 -3.808 1.00 26.58 ? 90 ILE H C 1 ATOM 929 O O . ILE B 2 86 ? 7.031 4.751 -4.888 1.00 26.84 ? 90 ILE H O 1 ATOM 930 C CB . ILE B 2 86 ? 9.049 5.277 -2.630 1.00 25.59 ? 90 ILE H CB 1 ATOM 931 C CG1 . ILE B 2 86 ? 9.769 4.606 -1.457 1.00 26.31 ? 90 ILE H CG1 1 ATOM 932 C CG2 . ILE B 2 86 ? 9.100 6.866 -2.617 1.00 26.07 ? 90 ILE H CG2 1 ATOM 933 C CD1 . ILE B 2 86 ? 11.313 4.943 -1.293 1.00 25.15 ? 90 ILE H CD1 1 ATOM 934 N N . HIS B 2 87 ? 6.203 6.445 -3.654 1.00 26.24 ? 91 HIS H N 1 ATOM 935 C CA . HIS B 2 87 ? 5.511 7.031 -4.821 1.00 26.29 ? 91 HIS H CA 1 ATOM 936 C C . HIS B 2 87 ? 6.542 7.312 -5.936 1.00 27.17 ? 91 HIS H C 1 ATOM 937 O O . HIS B 2 87 ? 7.587 7.948 -5.716 1.00 25.95 ? 91 HIS H O 1 ATOM 938 C CB . HIS B 2 87 ? 4.770 8.340 -4.465 1.00 24.40 ? 91 HIS H CB 1 ATOM 939 C CG . HIS B 2 87 ? 3.718 8.725 -5.468 1.00 23.14 ? 91 HIS H CG 1 ATOM 940 N ND1 . HIS B 2 87 ? 4.020 9.180 -6.740 1.00 20.57 ? 91 HIS H ND1 1 ATOM 941 C CD2 . HIS B 2 87 ? 2.363 8.733 -5.382 1.00 23.04 ? 91 HIS H CD2 1 ATOM 942 C CE1 . HIS B 2 87 ? 2.897 9.449 -7.386 1.00 22.73 ? 91 HIS H CE1 1 ATOM 943 N NE2 . HIS B 2 87 ? 1.877 9.194 -6.586 1.00 22.01 ? 91 HIS H NE2 1 ATOM 944 N N . PRO B 2 88 ? 6.250 6.845 -7.150 1.00 28.48 ? 92 PRO H N 1 ATOM 945 C CA . PRO B 2 88 ? 7.185 7.065 -8.259 1.00 30.22 ? 92 PRO H CA 1 ATOM 946 C C . PRO B 2 88 ? 7.503 8.520 -8.559 1.00 30.30 ? 92 PRO H C 1 ATOM 947 O O . PRO B 2 88 ? 8.601 8.831 -9.047 1.00 31.93 ? 92 PRO H O 1 ATOM 948 C CB . PRO B 2 88 ? 6.509 6.344 -9.430 1.00 29.40 ? 92 PRO H CB 1 ATOM 949 C CG . PRO B 2 88 ? 5.030 6.501 -9.064 1.00 30.86 ? 92 PRO H CG 1 ATOM 950 C CD . PRO B 2 88 ? 5.074 6.096 -7.609 1.00 28.99 ? 92 PRO H CD 1 ATOM 951 N N . ARG B 2 89 ? 6.575 9.428 -8.296 1.00 28.87 ? 93 ARG H N 1 ATOM 952 C CA . ARG B 2 89 ? 6.925 10.799 -8.570 1.00 29.80 ? 93 ARG H CA 1 ATOM 953 C C . ARG B 2 89 ? 7.257 11.648 -7.344 1.00 26.92 ? 93 ARG H C 1 ATOM 954 O O . ARG B 2 89 ? 7.071 12.850 -7.381 1.00 26.50 ? 93 ARG H O 1 ATOM 955 C CB . ARG B 2 89 ? 5.847 11.473 -9.417 1.00 32.53 ? 93 ARG H CB 1 ATOM 956 C CG . ARG B 2 89 ? 5.694 10.852 -10.820 1.00 35.21 ? 93 ARG H CG 1 ATOM 957 C CD . ARG B 2 89 ? 5.530 12.002 -11.860 1.00 40.19 ? 93 ARG H CD 1 ATOM 958 N NE . ARG B 2 89 ? 4.159 12.480 -11.935 1.00 40.55 ? 93 ARG H NE 1 ATOM 959 C CZ . ARG B 2 89 ? 3.773 13.697 -12.328 1.00 43.02 ? 93 ARG H CZ 1 ATOM 960 N NH1 . ARG B 2 89 ? 4.643 14.656 -12.693 1.00 42.93 ? 93 ARG H NH1 1 ATOM 961 N NH2 . ARG B 2 89 ? 2.470 13.942 -12.391 1.00 43.78 ? 93 ARG H NH2 1 ATOM 962 N N . TYR B 2 90 ? 7.729 11.004 -6.278 1.00 26.16 ? 94 TYR H N 1 ATOM 963 C CA . TYR B 2 90 ? 8.128 11.664 -5.025 1.00 25.82 ? 94 TYR H CA 1 ATOM 964 C C . TYR B 2 90 ? 9.298 12.591 -5.362 1.00 26.43 ? 94 TYR H C 1 ATOM 965 O O . TYR B 2 90 ? 10.294 12.162 -5.930 1.00 26.47 ? 94 TYR H O 1 ATOM 966 C CB . TYR B 2 90 ? 8.514 10.591 -3.991 1.00 24.74 ? 94 TYR H CB 1 ATOM 967 C CG . TYR B 2 90 ? 9.427 11.054 -2.851 1.00 25.64 ? 94 TYR H CG 1 ATOM 968 C CD1 . TYR B 2 90 ? 9.061 12.094 -2.010 1.00 23.58 ? 94 TYR H CD1 1 ATOM 969 C CD2 . TYR B 2 90 ? 10.662 10.407 -2.622 1.00 22.69 ? 94 TYR H CD2 1 ATOM 970 C CE1 . TYR B 2 90 ? 9.914 12.486 -0.934 1.00 28.34 ? 94 TYR H CE1 1 ATOM 971 C CE2 . TYR B 2 90 ? 11.537 10.778 -1.552 1.00 26.03 ? 94 TYR H CE2 1 ATOM 972 C CZ . TYR B 2 90 ? 11.147 11.815 -0.713 1.00 26.77 ? 94 TYR H CZ 1 ATOM 973 O OH . TYR B 2 90 ? 11.950 12.149 0.334 1.00 28.14 ? 94 TYR H OH 1 ATOM 974 N N . ASN B 2 91 ? 9.142 13.877 -5.074 1.00 24.80 ? 95 ASN H N 1 ATOM 975 C CA . ASN B 2 91 ? 10.146 14.872 -5.409 1.00 25.21 ? 95 ASN H CA 1 ATOM 976 C C . ASN B 2 91 ? 10.993 15.307 -4.189 1.00 27.55 ? 95 ASN H C 1 ATOM 977 O O . ASN B 2 91 ? 10.671 16.310 -3.498 1.00 28.31 ? 95 ASN H O 1 ATOM 978 C CB . ASN B 2 91 ? 9.420 16.078 -5.986 1.00 26.10 ? 95 ASN H CB 1 ATOM 979 C CG . ASN B 2 91 ? 10.350 17.092 -6.635 1.00 27.38 ? 95 ASN H CG 1 ATOM 980 O OD1 . ASN B 2 91 ? 11.551 17.165 -6.325 1.00 27.67 ? 95 ASN H OD1 1 ATOM 981 N ND2 . ASN B 2 91 ? 9.776 17.915 -7.539 1.00 24.67 ? 95 ASN H ND2 1 ATOM 982 N N . TRP B 2 92 ? 12.049 14.566 -3.891 1.00 26.53 ? 96 TRP H N 1 ATOM 983 C CA . TRP B 2 92 ? 12.906 14.948 -2.761 1.00 28.29 ? 96 TRP H CA 1 ATOM 984 C C . TRP B 2 92 ? 13.863 16.078 -3.096 1.00 30.38 ? 96 TRP H C 1 ATOM 985 O O . TRP B 2 92 ? 14.388 16.716 -2.159 1.00 30.23 ? 96 TRP H O 1 ATOM 986 C CB . TRP B 2 92 ? 13.722 13.790 -2.247 1.00 26.47 ? 96 TRP H CB 1 ATOM 987 C CG . TRP B 2 92 ? 14.508 13.142 -3.301 1.00 27.23 ? 96 TRP H CG 1 ATOM 988 C CD1 . TRP B 2 92 ? 14.152 12.024 -4.016 1.00 29.97 ? 96 TRP H CD1 1 ATOM 989 C CD2 . TRP B 2 92 ? 15.825 13.488 -3.716 1.00 27.57 ? 96 TRP H CD2 1 ATOM 990 N NE1 . TRP B 2 92 ? 15.195 11.648 -4.846 1.00 30.53 ? 96 TRP H NE1 1 ATOM 991 C CE2 . TRP B 2 92 ? 16.231 12.531 -4.676 1.00 29.34 ? 96 TRP H CE2 1 ATOM 992 C CE3 . TRP B 2 92 ? 16.710 14.502 -3.365 1.00 28.60 ? 96 TRP H CE3 1 ATOM 993 C CZ2 . TRP B 2 92 ? 17.483 12.564 -5.279 1.00 27.58 ? 96 TRP H CZ2 1 ATOM 994 C CZ3 . TRP B 2 92 ? 17.965 14.532 -3.960 1.00 28.59 ? 96 TRP H CZ3 1 ATOM 995 C CH2 . TRP B 2 92 ? 18.336 13.568 -4.908 1.00 28.44 ? 96 TRP H CH2 1 ATOM 996 N N . ARG B 2 93 ? 14.078 16.356 -4.401 1.00 30.92 ? 97 ARG H N 1 ATOM 997 C CA . ARG B 2 93 ? 14.996 17.462 -4.780 1.00 31.63 ? 97 ARG H CA 1 ATOM 998 C C . ARG B 2 93 ? 14.453 18.835 -4.487 1.00 32.66 ? 97 ARG H C 1 ATOM 999 O O . ARG B 2 93 ? 15.196 19.749 -4.131 1.00 33.12 ? 97 ARG H O 1 ATOM 1000 C CB A ARG B 2 93 ? 15.391 17.350 -6.256 0.42 31.36 ? 97 ARG H CB 1 ATOM 1001 C CB B ARG B 2 93 ? 15.298 17.460 -6.280 0.58 32.19 ? 97 ARG H CB 1 ATOM 1002 C CG A ARG B 2 93 ? 16.035 16.020 -6.574 0.42 30.23 ? 97 ARG H CG 1 ATOM 1003 C CG B ARG B 2 93 ? 15.329 16.123 -6.913 0.58 32.58 ? 97 ARG H CG 1 ATOM 1004 C CD A ARG B 2 93 ? 17.208 16.164 -7.493 0.42 29.92 ? 97 ARG H CD 1 ATOM 1005 C CD B ARG B 2 93 ? 16.692 15.799 -7.396 0.58 32.04 ? 97 ARG H CD 1 ATOM 1006 N NE A ARG B 2 93 ? 18.203 17.065 -6.949 0.42 28.85 ? 97 ARG H NE 1 ATOM 1007 N NE B ARG B 2 93 ? 16.747 14.422 -7.887 0.58 30.66 ? 97 ARG H NE 1 ATOM 1008 C CZ A ARG B 2 93 ? 19.511 16.937 -7.135 0.42 27.99 ? 97 ARG H CZ 1 ATOM 1009 C CZ B ARG B 2 93 ? 17.848 13.851 -8.358 0.58 28.75 ? 97 ARG H CZ 1 ATOM 1010 N NH1 A ARG B 2 93 ? 19.992 15.928 -7.852 0.42 27.08 ? 97 ARG H NH1 1 ATOM 1011 N NH1 B ARG B 2 93 ? 18.985 14.554 -8.411 0.58 27.24 ? 97 ARG H NH1 1 ATOM 1012 N NH2 A ARG B 2 93 ? 20.336 17.834 -6.612 0.42 28.14 ? 97 ARG H NH2 1 ATOM 1013 N NH2 B ARG B 2 93 ? 17.820 12.581 -8.725 0.58 23.60 ? 97 ARG H NH2 1 ATOM 1014 N N . GLU B 2 94 A 13.154 19.014 -4.617 1.00 33.22 ? 97 GLU H N 1 ATOM 1015 C CA . GLU B 2 94 A 12.667 20.357 -4.396 1.00 34.11 ? 97 GLU H CA 1 ATOM 1016 C C . GLU B 2 94 A 11.786 20.676 -3.201 1.00 33.45 ? 97 GLU H C 1 ATOM 1017 O O . GLU B 2 94 A 12.117 21.549 -2.373 1.00 34.14 ? 97 GLU H O 1 ATOM 1018 C CB . GLU B 2 94 A 11.945 20.855 -5.656 1.00 33.80 ? 97 GLU H CB 1 ATOM 1019 C CG . GLU B 2 94 A 11.562 22.328 -5.548 1.00 34.86 ? 97 GLU H CG 1 ATOM 1020 C CD . GLU B 2 94 A 10.462 22.722 -6.559 1.00 38.67 ? 97 GLU H CD 1 ATOM 1021 O OE1 . GLU B 2 94 A 10.285 21.969 -7.548 1.00 39.03 ? 97 GLU H OE1 1 ATOM 1022 O OE2 . GLU B 2 94 A 9.768 23.765 -6.367 1.00 39.44 ? 97 GLU H OE2 1 ATOM 1023 N N . ASN B 2 95 ? 10.670 19.977 -3.083 1.00 29.72 ? 98 ASN H N 1 ATOM 1024 C CA . ASN B 2 95 ? 9.741 20.352 -2.034 1.00 27.38 ? 98 ASN H CA 1 ATOM 1025 C C . ASN B 2 95 ? 9.016 19.189 -1.344 1.00 27.07 ? 98 ASN H C 1 ATOM 1026 O O . ASN B 2 95 ? 7.963 19.399 -0.726 1.00 25.50 ? 98 ASN H O 1 ATOM 1027 C CB . ASN B 2 95 ? 8.710 21.276 -2.716 1.00 25.45 ? 98 ASN H CB 1 ATOM 1028 C CG . ASN B 2 95 ? 8.053 20.605 -3.913 1.00 26.86 ? 98 ASN H CG 1 ATOM 1029 O OD1 . ASN B 2 95 ? 8.322 19.410 -4.197 1.00 28.79 ? 98 ASN H OD1 1 ATOM 1030 N ND2 . ASN B 2 95 ? 7.177 21.332 -4.618 1.00 27.46 ? 98 ASN H ND2 1 ATOM 1031 N N . LEU B 2 96 ? 9.540 17.968 -1.485 1.00 26.13 ? 99 LEU H N 1 ATOM 1032 C CA . LEU B 2 96 ? 8.906 16.764 -0.922 1.00 25.52 ? 99 LEU H CA 1 ATOM 1033 C C . LEU B 2 96 ? 7.496 16.531 -1.504 1.00 24.56 ? 99 LEU H C 1 ATOM 1034 O O . LEU B 2 96 ? 6.593 15.996 -0.842 1.00 24.26 ? 99 LEU H O 1 ATOM 1035 C CB . LEU B 2 96 ? 8.832 16.824 0.613 1.00 26.50 ? 99 LEU H CB 1 ATOM 1036 C CG . LEU B 2 96 ? 10.226 16.923 1.269 1.00 30.08 ? 99 LEU H CG 1 ATOM 1037 C CD1 . LEU B 2 96 ? 10.059 17.215 2.805 1.00 31.18 ? 99 LEU H CD1 1 ATOM 1038 C CD2 . LEU B 2 96 ? 11.044 15.650 1.023 1.00 28.22 ? 99 LEU H CD2 1 ATOM 1039 N N . ASP B 2 97 ? 7.279 16.981 -2.732 1.00 24.58 ? 100 ASP H N 1 ATOM 1040 C CA . ASP B 2 97 ? 5.974 16.735 -3.355 1.00 23.92 ? 100 ASP H CA 1 ATOM 1041 C C . ASP B 2 97 ? 5.747 15.195 -3.307 1.00 22.82 ? 100 ASP H C 1 ATOM 1042 O O . ASP B 2 97 ? 6.717 14.409 -3.479 1.00 20.14 ? 100 ASP H O 1 ATOM 1043 C CB . ASP B 2 97 ? 5.977 17.266 -4.788 1.00 25.34 ? 100 ASP H CB 1 ATOM 1044 C CG . ASP B 2 97 ? 4.555 17.341 -5.396 1.00 28.54 ? 100 ASP H CG 1 ATOM 1045 O OD1 . ASP B 2 97 ? 3.530 17.343 -4.647 1.00 26.20 ? 100 ASP H OD1 1 ATOM 1046 O OD2 . ASP B 2 97 ? 4.497 17.406 -6.638 1.00 29.18 ? 100 ASP H OD2 1 ATOM 1047 N N . ARG B 2 98 ? 4.510 14.793 -3.009 1.00 19.95 ? 101 ARG H N 1 ATOM 1048 C CA . ARG B 2 98 ? 4.115 13.373 -2.851 1.00 22.65 ? 101 ARG H CA 1 ATOM 1049 C C . ARG B 2 98 ? 5.016 12.614 -1.842 1.00 22.50 ? 101 ARG H C 1 ATOM 1050 O O . ARG B 2 98 ? 5.625 11.566 -2.161 1.00 23.04 ? 101 ARG H O 1 ATOM 1051 C CB . ARG B 2 98 ? 4.091 12.634 -4.215 1.00 21.47 ? 101 ARG H CB 1 ATOM 1052 C CG . ARG B 2 98 ? 3.508 13.512 -5.355 1.00 23.98 ? 101 ARG H CG 1 ATOM 1053 C CD . ARG B 2 98 ? 3.557 12.806 -6.692 1.00 27.57 ? 101 ARG H CD 1 ATOM 1054 N NE . ARG B 2 98 ? 2.923 13.563 -7.782 1.00 29.33 ? 101 ARG H NE 1 ATOM 1055 C CZ . ARG B 2 98 ? 3.541 14.501 -8.501 1.00 28.89 ? 101 ARG H CZ 1 ATOM 1056 N NH1 . ARG B 2 98 ? 4.811 14.790 -8.244 1.00 28.35 ? 101 ARG H NH1 1 ATOM 1057 N NH2 . ARG B 2 98 ? 2.889 15.152 -9.461 1.00 28.87 ? 101 ARG H NH2 1 ATOM 1058 N N . ASP B 2 99 ? 5.077 13.121 -0.608 1.00 22.55 ? 102 ASP H N 1 ATOM 1059 C CA . ASP B 2 99 ? 5.923 12.513 0.441 1.00 23.16 ? 102 ASP H CA 1 ATOM 1060 C C . ASP B 2 99 ? 5.110 11.361 1.043 1.00 23.00 ? 102 ASP H C 1 ATOM 1061 O O . ASP B 2 99 ? 4.506 11.501 2.118 1.00 20.81 ? 102 ASP H O 1 ATOM 1062 C CB . ASP B 2 99 ? 6.265 13.625 1.494 1.00 23.09 ? 102 ASP H CB 1 ATOM 1063 C CG . ASP B 2 99 ? 7.348 13.196 2.467 1.00 25.03 ? 102 ASP H CG 1 ATOM 1064 O OD1 . ASP B 2 99 ? 7.933 12.093 2.233 1.00 23.49 ? 102 ASP H OD1 1 ATOM 1065 O OD2 . ASP B 2 99 ? 7.583 13.940 3.486 1.00 25.04 ? 102 ASP H OD2 1 ATOM 1066 N N . ILE B 2 100 ? 5.129 10.195 0.373 1.00 21.50 ? 103 ILE H N 1 ATOM 1067 C CA . ILE B 2 100 ? 4.310 9.077 0.811 1.00 20.07 ? 103 ILE H CA 1 ATOM 1068 C C . ILE B 2 100 ? 4.932 7.751 0.365 1.00 21.23 ? 103 ILE H C 1 ATOM 1069 O O . ILE B 2 100 ? 5.545 7.724 -0.731 1.00 21.67 ? 103 ILE H O 1 ATOM 1070 C CB . ILE B 2 100 ? 2.861 9.193 0.212 1.00 20.48 ? 103 ILE H CB 1 ATOM 1071 C CG1 . ILE B 2 100 ? 1.931 8.167 0.882 1.00 21.16 ? 103 ILE H CG1 1 ATOM 1072 C CG2 . ILE B 2 100 ? 2.848 8.956 -1.355 1.00 20.78 ? 103 ILE H CG2 1 ATOM 1073 C CD1 . ILE B 2 100 ? 0.351 8.383 0.558 1.00 19.68 ? 103 ILE H CD1 1 ATOM 1074 N N . ALA B 2 101 ? 4.814 6.725 1.227 1.00 20.05 ? 104 ALA H N 1 ATOM 1075 C CA . ALA B 2 101 ? 5.297 5.346 0.991 1.00 22.14 ? 104 ALA H CA 1 ATOM 1076 C C . ALA B 2 101 ? 4.406 4.352 1.685 1.00 23.97 ? 104 ALA H C 1 ATOM 1077 O O . ALA B 2 101 ? 3.844 4.695 2.738 1.00 23.48 ? 104 ALA H O 1 ATOM 1078 C CB . ALA B 2 101 ? 6.710 5.136 1.565 1.00 18.46 ? 104 ALA H CB 1 ATOM 1079 N N . LEU B 2 102 ? 4.277 3.141 1.098 1.00 22.11 ? 105 LEU H N 1 ATOM 1080 C CA . LEU B 2 102 ? 3.564 2.032 1.716 1.00 23.44 ? 105 LEU H CA 1 ATOM 1081 C C . LEU B 2 102 ? 4.609 0.958 2.075 1.00 25.07 ? 105 LEU H C 1 ATOM 1082 O O . LEU B 2 102 ? 5.586 0.759 1.320 1.00 25.80 ? 105 LEU H O 1 ATOM 1083 C CB . LEU B 2 102 ? 2.550 1.398 0.771 1.00 21.57 ? 105 LEU H CB 1 ATOM 1084 C CG . LEU B 2 102 ? 1.276 2.234 0.703 1.00 24.23 ? 105 LEU H CG 1 ATOM 1085 C CD1 . LEU B 2 102 ? 0.544 2.029 -0.645 1.00 22.86 ? 105 LEU H CD1 1 ATOM 1086 C CD2 . LEU B 2 102 ? 0.426 1.840 1.894 1.00 22.85 ? 105 LEU H CD2 1 ATOM 1087 N N . MET B 2 103 ? 4.386 0.272 3.203 1.00 25.23 ? 106 MET H N 1 ATOM 1088 C CA . MET B 2 103 ? 5.245 -0.827 3.672 1.00 25.72 ? 106 MET H CA 1 ATOM 1089 C C . MET B 2 103 ? 4.375 -2.068 3.914 1.00 25.64 ? 106 MET H C 1 ATOM 1090 O O . MET B 2 103 ? 3.429 -2.000 4.692 1.00 23.94 ? 106 MET H O 1 ATOM 1091 C CB . MET B 2 103 ? 5.961 -0.432 4.963 1.00 24.93 ? 106 MET H CB 1 ATOM 1092 C CG . MET B 2 103 ? 6.844 0.832 4.734 1.00 25.38 ? 106 MET H CG 1 ATOM 1093 S SD . MET B 2 103 ? 7.795 1.237 6.182 1.00 28.38 ? 106 MET H SD 1 ATOM 1094 C CE . MET B 2 103 ? 6.382 1.809 7.353 1.00 21.95 ? 106 MET H CE 1 ATOM 1095 N N . LYS B 2 104 ? 4.684 -3.178 3.220 1.00 26.79 ? 107 LYS H N 1 ATOM 1096 C CA . LYS B 2 104 ? 3.941 -4.443 3.385 1.00 25.72 ? 107 LYS H CA 1 ATOM 1097 C C . LYS B 2 104 ? 4.633 -5.332 4.429 1.00 24.43 ? 107 LYS H C 1 ATOM 1098 O O . LYS B 2 104 ? 5.832 -5.632 4.334 1.00 25.18 ? 107 LYS H O 1 ATOM 1099 C CB . LYS B 2 104 ? 3.824 -5.205 2.067 1.00 27.38 ? 107 LYS H CB 1 ATOM 1100 C CG . LYS B 2 104 ? 3.307 -6.663 2.307 1.00 31.80 ? 107 LYS H CG 1 ATOM 1101 C CD . LYS B 2 104 ? 2.747 -7.388 1.057 1.00 35.63 ? 107 LYS H CD 1 ATOM 1102 C CE . LYS B 2 104 ? 3.836 -7.665 0.023 1.00 37.97 ? 107 LYS H CE 1 ATOM 1103 N NZ . LYS B 2 104 ? 3.371 -8.770 -0.933 1.00 41.98 ? 107 LYS H NZ 1 ATOM 1104 N N . LEU B 2 105 ? 3.893 -5.747 5.445 1.00 23.45 ? 108 LEU H N 1 ATOM 1105 C CA . LEU B 2 105 ? 4.474 -6.566 6.529 1.00 25.20 ? 108 LEU H CA 1 ATOM 1106 C C . LEU B 2 105 ? 4.581 -8.042 6.133 1.00 26.46 ? 108 LEU H C 1 ATOM 1107 O O . LEU B 2 105 ? 3.747 -8.530 5.387 1.00 24.71 ? 108 LEU H O 1 ATOM 1108 C CB . LEU B 2 105 ? 3.595 -6.513 7.761 1.00 24.89 ? 108 LEU H CB 1 ATOM 1109 C CG . LEU B 2 105 ? 3.234 -5.111 8.281 1.00 27.50 ? 108 LEU H CG 1 ATOM 1110 C CD1 . LEU B 2 105 ? 2.605 -5.254 9.670 1.00 26.42 ? 108 LEU H CD1 1 ATOM 1111 C CD2 . LEU B 2 105 ? 4.498 -4.235 8.384 1.00 26.48 ? 108 LEU H CD2 1 ATOM 1112 N N . LYS B 2 106 ? 5.623 -8.696 6.636 1.00 29.97 ? 109 LYS H N 1 ATOM 1113 C CA . LYS B 2 106 ? 5.903 -10.102 6.417 1.00 33.80 ? 109 LYS H CA 1 ATOM 1114 C C . LYS B 2 106 ? 4.787 -10.943 7.004 1.00 35.90 ? 109 LYS H C 1 ATOM 1115 O O . LYS B 2 106 ? 4.397 -11.937 6.405 1.00 36.60 ? 109 LYS H O 1 ATOM 1116 C CB . LYS B 2 106 ? 7.231 -10.486 7.064 1.00 35.39 ? 109 LYS H CB 1 ATOM 1117 C CG . LYS B 2 106 ? 8.439 -10.131 6.188 1.00 39.65 ? 109 LYS H CG 1 ATOM 1118 C CD . LYS B 2 106 ? 9.779 -10.741 6.671 1.00 42.13 ? 109 LYS H CD 1 ATOM 1119 C CE . LYS B 2 106 ? 9.617 -12.220 7.023 1.00 42.97 ? 109 LYS H CE 1 ATOM 1120 N NZ . LYS B 2 106 ? 8.417 -12.806 6.355 1.00 46.33 ? 109 LYS H NZ 1 ATOM 1121 N N . LYS B 2 107 ? 4.283 -10.547 8.172 1.00 36.37 ? 110 LYS H N 1 ATOM 1122 C CA . LYS B 2 107 ? 3.181 -11.281 8.808 1.00 38.28 ? 110 LYS H CA 1 ATOM 1123 C C . LYS B 2 107 ? 2.099 -10.341 9.295 1.00 36.65 ? 110 LYS H C 1 ATOM 1124 O O . LYS B 2 107 ? 2.369 -9.401 10.068 1.00 37.99 ? 110 LYS H O 1 ATOM 1125 C CB . LYS B 2 107 ? 3.641 -12.064 10.038 1.00 41.08 ? 110 LYS H CB 1 ATOM 1126 C CG . LYS B 2 107 ? 4.638 -13.231 9.813 1.00 44.71 ? 110 LYS H CG 1 ATOM 1127 C CD . LYS B 2 107 ? 4.138 -14.187 8.740 1.00 48.43 ? 110 LYS H CD 1 ATOM 1128 C CE . LYS B 2 107 ? 2.743 -14.715 9.034 1.00 50.92 ? 110 LYS H CE 1 ATOM 1129 N NZ . LYS B 2 107 ? 2.138 -15.422 7.829 1.00 52.46 ? 110 LYS H NZ 1 ATOM 1130 N N . PRO B 2 108 ? 0.853 -10.605 8.905 1.00 35.09 ? 111 PRO H N 1 ATOM 1131 C CA . PRO B 2 108 ? -0.256 -9.739 9.348 1.00 33.64 ? 111 PRO H CA 1 ATOM 1132 C C . PRO B 2 108 ? -0.318 -9.659 10.872 1.00 30.41 ? 111 PRO H C 1 ATOM 1133 O O . PRO B 2 108 ? -0.066 -10.655 11.581 1.00 29.10 ? 111 PRO H O 1 ATOM 1134 C CB . PRO B 2 108 ? -1.492 -10.416 8.764 1.00 33.58 ? 111 PRO H CB 1 ATOM 1135 C CG . PRO B 2 108 ? -1.056 -11.928 8.759 1.00 37.30 ? 111 PRO H CG 1 ATOM 1136 C CD . PRO B 2 108 ? 0.363 -11.815 8.218 1.00 35.48 ? 111 PRO H CD 1 ATOM 1137 N N . VAL B 2 109 ? -0.662 -8.473 11.378 1.00 28.19 ? 112 VAL H N 1 ATOM 1138 C CA . VAL B 2 109 ? -0.763 -8.288 12.826 1.00 25.87 ? 112 VAL H CA 1 ATOM 1139 C C . VAL B 2 109 ? -2.215 -8.555 13.230 1.00 25.67 ? 112 VAL H C 1 ATOM 1140 O O . VAL B 2 109 ? -3.136 -8.192 12.526 1.00 25.22 ? 112 VAL H O 1 ATOM 1141 C CB . VAL B 2 109 ? -0.344 -6.835 13.237 1.00 26.69 ? 112 VAL H CB 1 ATOM 1142 C CG1 . VAL B 2 109 ? -1.470 -5.795 12.867 1.00 23.22 ? 112 VAL H CG1 1 ATOM 1143 C CG2 . VAL B 2 109 ? 0.007 -6.792 14.715 1.00 21.60 ? 112 VAL H CG2 1 ATOM 1144 N N . ALA B 2 110 ? -2.430 -9.205 14.351 1.00 25.19 ? 113 ALA H N 1 ATOM 1145 C CA . ALA B 2 110 ? -3.810 -9.456 14.783 1.00 26.03 ? 113 ALA H CA 1 ATOM 1146 C C . ALA B 2 110 ? -4.319 -8.152 15.490 1.00 25.38 ? 113 ALA H C 1 ATOM 1147 O O . ALA B 2 110 ? -3.544 -7.538 16.216 1.00 26.66 ? 113 ALA H O 1 ATOM 1148 C CB . ALA B 2 110 ? -3.812 -10.660 15.768 1.00 23.50 ? 113 ALA H CB 1 ATOM 1149 N N . PHE B 2 111 ? -5.566 -7.736 15.277 1.00 24.47 ? 114 PHE H N 1 ATOM 1150 C CA . PHE B 2 111 ? -6.101 -6.542 15.939 1.00 25.34 ? 114 PHE H CA 1 ATOM 1151 C C . PHE B 2 111 ? -6.477 -6.898 17.389 1.00 26.55 ? 114 PHE H C 1 ATOM 1152 O O . PHE B 2 111 ? -6.795 -8.061 17.707 1.00 27.35 ? 114 PHE H O 1 ATOM 1153 C CB . PHE B 2 111 ? -7.335 -5.983 15.203 1.00 25.27 ? 114 PHE H CB 1 ATOM 1154 C CG . PHE B 2 111 ? -7.097 -5.727 13.707 1.00 25.49 ? 114 PHE H CG 1 ATOM 1155 C CD1 . PHE B 2 111 ? -5.805 -5.449 13.223 1.00 25.63 ? 114 PHE H CD1 1 ATOM 1156 C CD2 . PHE B 2 111 ? -8.159 -5.727 12.806 1.00 23.57 ? 114 PHE H CD2 1 ATOM 1157 C CE1 . PHE B 2 111 ? -5.588 -5.174 11.860 1.00 25.22 ? 114 PHE H CE1 1 ATOM 1158 C CE2 . PHE B 2 111 ? -7.960 -5.439 11.443 1.00 24.16 ? 114 PHE H CE2 1 ATOM 1159 C CZ . PHE B 2 111 ? -6.686 -5.164 10.964 1.00 22.83 ? 114 PHE H CZ 1 ATOM 1160 N N . SER B 2 112 ? -6.413 -5.899 18.261 1.00 23.61 ? 115 SER H N 1 ATOM 1161 C CA . SER B 2 112 ? -6.705 -6.039 19.660 1.00 22.93 ? 115 SER H CA 1 ATOM 1162 C C . SER B 2 112 ? -7.254 -4.663 20.222 1.00 23.74 ? 115 SER H C 1 ATOM 1163 O O . SER B 2 112 ? -7.601 -3.753 19.458 1.00 23.17 ? 115 SER H O 1 ATOM 1164 C CB . SER B 2 112 ? -5.422 -6.409 20.372 1.00 22.42 ? 115 SER H CB 1 ATOM 1165 O OG . SER B 2 112 ? -4.558 -5.275 20.451 1.00 20.78 ? 115 SER H OG 1 ATOM 1166 N N . ASP B 2 113 ? -7.347 -4.547 21.538 1.00 24.09 ? 116 ASP H N 1 ATOM 1167 C CA . ASP B 2 113 ? -7.782 -3.286 22.152 1.00 25.97 ? 116 ASP H CA 1 ATOM 1168 C C . ASP B 2 113 ? -6.701 -2.186 21.932 1.00 26.26 ? 116 ASP H C 1 ATOM 1169 O O . ASP B 2 113 ? -6.979 -0.994 22.029 1.00 25.68 ? 116 ASP H O 1 ATOM 1170 C CB . ASP B 2 113 ? -7.972 -3.487 23.644 1.00 28.28 ? 116 ASP H CB 1 ATOM 1171 C CG . ASP B 2 113 ? -9.207 -4.306 23.975 1.00 29.41 ? 116 ASP H CG 1 ATOM 1172 O OD1 . ASP B 2 113 ? -9.347 -4.727 25.132 1.00 32.28 ? 116 ASP H OD1 1 ATOM 1173 O OD2 . ASP B 2 113 ? -10.038 -4.533 23.090 1.00 31.08 ? 116 ASP H OD2 1 ATOM 1174 N N . TYR B 2 114 ? -5.477 -2.599 21.621 1.00 25.05 ? 117 TYR H N 1 ATOM 1175 C CA . TYR B 2 114 ? -4.399 -1.641 21.443 1.00 24.87 ? 117 TYR H CA 1 ATOM 1176 C C . TYR B 2 114 ? -3.928 -1.499 20.030 1.00 23.62 ? 117 TYR H C 1 ATOM 1177 O O . TYR B 2 114 ? -3.055 -0.682 19.767 1.00 23.11 ? 117 TYR H O 1 ATOM 1178 C CB . TYR B 2 114 ? -3.204 -2.054 22.367 1.00 26.03 ? 117 TYR H CB 1 ATOM 1179 C CG . TYR B 2 114 ? -3.820 -2.444 23.666 1.00 30.74 ? 117 TYR H CG 1 ATOM 1180 C CD1 . TYR B 2 114 ? -4.221 -1.426 24.525 1.00 29.74 ? 117 TYR H CD1 1 ATOM 1181 C CD2 . TYR B 2 114 ? -4.038 -3.761 24.032 1.00 29.16 ? 117 TYR H CD2 1 ATOM 1182 C CE1 . TYR B 2 114 ? -4.874 -1.700 25.698 1.00 32.34 ? 117 TYR H CE1 1 ATOM 1183 C CE2 . TYR B 2 114 ? -4.699 -4.052 25.214 1.00 32.07 ? 117 TYR H CE2 1 ATOM 1184 C CZ . TYR B 2 114 ? -5.142 -3.037 26.044 1.00 34.50 ? 117 TYR H CZ 1 ATOM 1185 O OH . TYR B 2 114 ? -5.832 -3.322 27.207 1.00 36.84 ? 117 TYR H OH 1 ATOM 1186 N N . ILE B 2 115 ? -4.482 -2.307 19.128 1.00 22.89 ? 118 ILE H N 1 ATOM 1187 C CA . ILE B 2 115 ? -4.043 -2.314 17.730 1.00 23.34 ? 118 ILE H CA 1 ATOM 1188 C C . ILE B 2 115 ? -5.240 -2.445 16.813 1.00 22.63 ? 118 ILE H C 1 ATOM 1189 O O . ILE B 2 115 ? -5.979 -3.423 16.897 1.00 22.38 ? 118 ILE H O 1 ATOM 1190 C CB . ILE B 2 115 ? -3.067 -3.520 17.468 1.00 22.89 ? 118 ILE H CB 1 ATOM 1191 C CG1 . ILE B 2 115 ? -1.812 -3.377 18.358 1.00 23.28 ? 118 ILE H CG1 1 ATOM 1192 C CG2 . ILE B 2 115 ? -2.696 -3.617 15.962 1.00 20.75 ? 118 ILE H CG2 1 ATOM 1193 C CD1 . ILE B 2 115 ? -0.756 -4.500 18.132 1.00 21.27 ? 118 ILE H CD1 1 ATOM 1194 N N . HIS B 2 116 ? -5.412 -1.449 15.948 1.00 23.26 ? 119 HIS H N 1 ATOM 1195 C CA . HIS B 2 116 ? -6.522 -1.416 14.988 1.00 22.44 ? 119 HIS H CA 1 ATOM 1196 C C . HIS B 2 116 ? -6.166 -0.410 13.906 1.00 21.64 ? 119 HIS H C 1 ATOM 1197 O O . HIS B 2 116 ? -5.469 0.605 14.174 1.00 23.82 ? 119 HIS H O 1 ATOM 1198 C CB . HIS B 2 116 ? -7.841 -0.981 15.666 1.00 21.48 ? 119 HIS H CB 1 ATOM 1199 C CG . HIS B 2 116 ? -8.794 -2.104 15.939 1.00 23.71 ? 119 HIS H CG 1 ATOM 1200 N ND1 . HIS B 2 116 ? -8.680 -2.924 17.045 1.00 22.79 ? 119 HIS H ND1 1 ATOM 1201 C CD2 . HIS B 2 116 ? -9.896 -2.533 15.256 1.00 21.04 ? 119 HIS H CD2 1 ATOM 1202 C CE1 . HIS B 2 116 ? -9.680 -3.796 17.038 1.00 22.42 ? 119 HIS H CE1 1 ATOM 1203 N NE2 . HIS B 2 116 ? -10.428 -3.569 15.968 1.00 22.29 ? 119 HIS H NE2 1 ATOM 1204 N N . PRO B 2 117 ? -6.686 -0.621 12.679 1.00 22.27 ? 120 PRO H N 1 ATOM 1205 C CA . PRO B 2 117 ? -6.409 0.302 11.563 1.00 21.12 ? 120 PRO H CA 1 ATOM 1206 C C . PRO B 2 117 ? -7.269 1.541 11.515 1.00 20.38 ? 120 PRO H C 1 ATOM 1207 O O . PRO B 2 117 ? -8.437 1.563 11.935 1.00 18.86 ? 120 PRO H O 1 ATOM 1208 C CB . PRO B 2 117 ? -6.621 -0.580 10.311 1.00 22.50 ? 120 PRO H CB 1 ATOM 1209 C CG . PRO B 2 117 ? -7.730 -1.489 10.748 1.00 24.37 ? 120 PRO H CG 1 ATOM 1210 C CD . PRO B 2 117 ? -7.340 -1.860 12.184 1.00 22.94 ? 120 PRO H CD 1 ATOM 1211 N N . VAL B 2 118 ? -6.681 2.596 10.996 1.00 20.75 ? 121 VAL H N 1 ATOM 1212 C CA . VAL B 2 118 ? -7.429 3.851 10.823 1.00 21.05 ? 121 VAL H CA 1 ATOM 1213 C C . VAL B 2 118 ? -8.038 3.801 9.375 1.00 21.44 ? 121 VAL H C 1 ATOM 1214 O O . VAL B 2 118 ? -7.496 3.095 8.487 1.00 19.01 ? 121 VAL H O 1 ATOM 1215 C CB . VAL B 2 118 ? -6.442 5.089 10.964 1.00 20.08 ? 121 VAL H CB 1 ATOM 1216 C CG1 . VAL B 2 118 ? -5.453 5.080 9.841 1.00 19.25 ? 121 VAL H CG1 1 ATOM 1217 C CG2 . VAL B 2 118 ? -7.218 6.392 10.897 1.00 20.47 ? 121 VAL H CG2 1 ATOM 1218 N N . CYS B 2 119 ? -9.134 4.543 9.118 1.00 20.78 ? 122 CYS H N 1 ATOM 1219 C CA . CYS B 2 119 ? -9.699 4.559 7.780 1.00 20.23 ? 122 CYS H CA 1 ATOM 1220 C C . CYS B 2 119 ? -9.025 5.537 6.822 1.00 22.08 ? 122 CYS H C 1 ATOM 1221 O O . CYS B 2 119 ? -8.448 6.608 7.209 1.00 21.78 ? 122 CYS H O 1 ATOM 1222 C CB . CYS B 2 119 ? -11.223 4.890 7.787 1.00 21.17 ? 122 CYS H CB 1 ATOM 1223 S SG . CYS B 2 119 ? -12.248 3.984 8.974 1.00 24.38 ? 122 CYS H SG 1 ATOM 1224 N N . LEU B 2 120 ? -9.083 5.197 5.538 1.00 20.91 ? 123 LEU H N 1 ATOM 1225 C CA . LEU B 2 120 ? -8.596 6.126 4.530 1.00 22.41 ? 123 LEU H CA 1 ATOM 1226 C C . LEU B 2 120 ? -9.856 6.842 3.951 1.00 24.55 ? 123 LEU H C 1 ATOM 1227 O O . LEU B 2 120 ? -10.938 6.196 3.738 1.00 19.84 ? 123 LEU H O 1 ATOM 1228 C CB . LEU B 2 120 ? -7.819 5.399 3.420 1.00 24.47 ? 123 LEU H CB 1 ATOM 1229 C CG . LEU B 2 120 ? -6.519 4.746 3.939 1.00 25.94 ? 123 LEU H CG 1 ATOM 1230 C CD1 . LEU B 2 120 ? -5.741 4.240 2.766 1.00 25.78 ? 123 LEU H CD1 1 ATOM 1231 C CD2 . LEU B 2 120 ? -5.646 5.783 4.696 1.00 23.69 ? 123 LEU H CD2 1 ATOM 1232 N N . PRO B 2 121 ? -9.749 8.187 3.717 1.00 23.93 ? 124 PRO H N 1 ATOM 1233 C CA . PRO B 2 121 ? -10.893 8.949 3.176 1.00 24.43 ? 124 PRO H CA 1 ATOM 1234 C C . PRO B 2 121 ? -11.272 8.628 1.720 1.00 25.56 ? 124 PRO H C 1 ATOM 1235 O O . PRO B 2 121 ? -10.431 8.214 0.929 1.00 24.20 ? 124 PRO H O 1 ATOM 1236 C CB . PRO B 2 121 ? -10.442 10.422 3.310 1.00 24.59 ? 124 PRO H CB 1 ATOM 1237 C CG . PRO B 2 121 ? -8.868 10.293 3.063 1.00 24.02 ? 124 PRO H CG 1 ATOM 1238 C CD . PRO B 2 121 ? -8.587 9.066 3.974 1.00 24.01 ? 124 PRO H CD 1 ATOM 1239 N N . ASP B 2 122 ? -12.557 8.775 1.412 1.00 25.92 ? 125 ASP H N 1 ATOM 1240 C CA . ASP B 2 122 ? -13.052 8.630 0.057 1.00 27.82 ? 125 ASP H CA 1 ATOM 1241 C C . ASP B 2 122 ? -13.445 10.076 -0.249 1.00 28.83 ? 125 ASP H C 1 ATOM 1242 O O . ASP B 2 122 ? -13.326 10.976 0.641 1.00 27.57 ? 125 ASP H O 1 ATOM 1243 C CB . ASP B 2 122 ? -14.250 7.672 -0.080 1.00 27.56 ? 125 ASP H CB 1 ATOM 1244 C CG . ASP B 2 122 ? -15.283 7.823 1.022 1.00 32.13 ? 125 ASP H CG 1 ATOM 1245 O OD1 . ASP B 2 122 ? -15.439 8.931 1.643 1.00 29.93 ? 125 ASP H OD1 1 ATOM 1246 O OD2 . ASP B 2 122 ? -15.964 6.779 1.259 1.00 32.15 ? 125 ASP H OD2 1 ATOM 1247 N N . ARG B 2 123 ? -13.907 10.292 -1.477 1.00 28.23 ? 126 ARG H N 1 ATOM 1248 C CA . ARG B 2 123 ? -14.258 11.608 -1.955 1.00 30.42 ? 126 ARG H CA 1 ATOM 1249 C C . ARG B 2 123 ? -15.281 12.436 -1.179 1.00 30.86 ? 126 ARG H C 1 ATOM 1250 O O . ARG B 2 123 ? -15.091 13.655 -1.017 1.00 30.49 ? 126 ARG H O 1 ATOM 1251 C CB . ARG B 2 123 ? -14.719 11.530 -3.389 1.00 31.03 ? 126 ARG H CB 1 ATOM 1252 C CG . ARG B 2 123 ? -14.436 12.804 -4.133 1.00 34.59 ? 126 ARG H CG 1 ATOM 1253 C CD . ARG B 2 123 ? -15.106 12.784 -5.481 1.00 38.40 ? 126 ARG H CD 1 ATOM 1254 N NE . ARG B 2 123 ? -16.364 13.449 -5.300 1.00 40.46 ? 126 ARG H NE 1 ATOM 1255 C CZ . ARG B 2 123 ? -17.555 12.885 -5.408 1.00 42.01 ? 126 ARG H CZ 1 ATOM 1256 N NH1 . ARG B 2 123 ? -17.700 11.596 -5.738 1.00 40.89 ? 126 ARG H NH1 1 ATOM 1257 N NH2 . ARG B 2 123 ? -18.603 13.630 -5.098 1.00 43.90 ? 126 ARG H NH2 1 ATOM 1258 N N . GLU B 2 124 ? -16.355 11.811 -0.694 1.00 30.42 ? 127 GLU H N 1 ATOM 1259 C CA . GLU B 2 124 ? -17.359 12.611 0.032 1.00 32.05 ? 127 GLU H CA 1 ATOM 1260 C C . GLU B 2 124 ? -16.771 12.910 1.387 1.00 31.02 ? 127 GLU H C 1 ATOM 1261 O O . GLU B 2 124 ? -16.996 14.005 1.959 1.00 28.81 ? 127 GLU H O 1 ATOM 1262 C CB . GLU B 2 124 ? -18.689 11.864 0.171 1.00 33.43 ? 127 GLU H CB 1 ATOM 1263 C CG . GLU B 2 124 ? -19.198 11.407 -1.134 1.00 38.80 ? 127 GLU H CG 1 ATOM 1264 C CD . GLU B 2 124 ? -18.320 10.280 -1.747 1.00 46.52 ? 127 GLU H CD 1 ATOM 1265 O OE1 . GLU B 2 124 ? -18.610 9.913 -2.917 1.00 48.18 ? 127 GLU H OE1 1 ATOM 1266 O OE2 . GLU B 2 124 ? -17.367 9.745 -1.073 1.00 47.58 ? 127 GLU H OE2 1 ATOM 1267 N N . THR B 2 125 ? -15.992 11.955 1.893 1.00 29.02 ? 128 THR H N 1 ATOM 1268 C CA . THR B 2 125 ? -15.380 12.215 3.184 1.00 30.45 ? 128 THR H CA 1 ATOM 1269 C C . THR B 2 125 ? -14.356 13.367 3.081 1.00 29.18 ? 128 THR H C 1 ATOM 1270 O O . THR B 2 125 ? -14.359 14.271 3.923 1.00 29.19 ? 128 THR H O 1 ATOM 1271 C CB . THR B 2 125 ? -14.750 10.920 3.823 1.00 31.50 ? 128 THR H CB 1 ATOM 1272 O OG1 . THR B 2 125 ? -15.791 9.944 4.030 1.00 31.74 ? 128 THR H OG1 1 ATOM 1273 C CG2 . THR B 2 125 ? -14.109 11.246 5.210 1.00 29.09 ? 128 THR H CG2 1 ATOM 1274 N N . ALA B 2 126 ? -13.510 13.361 2.056 1.00 27.07 ? 129 ALA H N 1 ATOM 1275 C CA . ALA B 2 126 ? -12.509 14.432 1.901 1.00 27.02 ? 129 ALA H CA 1 ATOM 1276 C C . ALA B 2 126 ? -13.116 15.817 1.681 1.00 27.42 ? 129 ALA H C 1 ATOM 1277 O O . ALA B 2 126 ? -12.594 16.826 2.220 1.00 25.80 ? 129 ALA H O 1 ATOM 1278 C CB . ALA B 2 126 ? -11.549 14.128 0.719 1.00 26.83 ? 129 ALA H CB 1 ATOM 1279 N N . ALA B 2 127 A -14.198 15.849 0.878 1.00 26.76 ? 129 ALA H N 1 ATOM 1280 C CA . ALA B 2 127 A -14.898 17.069 0.522 1.00 28.36 ? 129 ALA H CA 1 ATOM 1281 C C . ALA B 2 127 A -15.543 17.726 1.735 1.00 29.31 ? 129 ALA H C 1 ATOM 1282 O O . ALA B 2 127 A -15.424 18.938 1.929 1.00 30.23 ? 129 ALA H O 1 ATOM 1283 C CB . ALA B 2 127 A -15.928 16.787 -0.574 1.00 28.65 ? 129 ALA H CB 1 ATOM 1284 N N . SER B 2 128 B -16.167 16.970 2.611 1.00 30.08 ? 129 SER H N 1 ATOM 1285 C CA . SER B 2 128 B -16.736 17.683 3.730 1.00 33.46 ? 129 SER H CA 1 ATOM 1286 C C . SER B 2 128 B -15.763 17.958 4.919 1.00 34.01 ? 129 SER H C 1 ATOM 1287 O O . SER B 2 128 B -15.941 18.951 5.626 1.00 34.58 ? 129 SER H O 1 ATOM 1288 C CB . SER B 2 128 B -18.025 16.994 4.213 1.00 34.34 ? 129 SER H CB 1 ATOM 1289 O OG . SER B 2 128 B -17.784 15.801 4.938 1.00 42.09 ? 129 SER H OG 1 ATOM 1290 N N . LEU B 2 129 C -14.706 17.153 5.107 1.00 31.51 ? 129 LEU H N 1 ATOM 1291 C CA . LEU B 2 129 C -13.822 17.377 6.259 1.00 30.63 ? 129 LEU H CA 1 ATOM 1292 C C . LEU B 2 129 C -12.598 18.265 6.042 1.00 30.60 ? 129 LEU H C 1 ATOM 1293 O O . LEU B 2 129 C -12.203 18.982 6.935 1.00 28.36 ? 129 LEU H O 1 ATOM 1294 C CB . LEU B 2 129 C -13.383 16.027 6.849 1.00 30.54 ? 129 LEU H CB 1 ATOM 1295 C CG . LEU B 2 129 C -14.531 15.096 7.320 1.00 31.97 ? 129 LEU H CG 1 ATOM 1296 C CD1 . LEU B 2 129 C -13.962 13.916 8.137 1.00 31.67 ? 129 LEU H CD1 1 ATOM 1297 C CD2 . LEU B 2 129 C -15.539 15.906 8.199 1.00 31.93 ? 129 LEU H CD2 1 ATOM 1298 N N . LEU B 2 130 ? -12.005 18.210 4.856 1.00 31.45 ? 130 LEU H N 1 ATOM 1299 C CA . LEU B 2 130 ? -10.810 18.999 4.556 1.00 33.23 ? 130 LEU H CA 1 ATOM 1300 C C . LEU B 2 130 ? -11.190 20.454 4.227 1.00 33.50 ? 130 LEU H C 1 ATOM 1301 O O . LEU B 2 130 ? -11.286 20.811 3.054 1.00 34.30 ? 130 LEU H O 1 ATOM 1302 C CB . LEU B 2 130 ? -10.098 18.354 3.384 1.00 32.82 ? 130 LEU H CB 1 ATOM 1303 C CG . LEU B 2 130 ? -8.562 18.301 3.316 1.00 36.15 ? 130 LEU H CG 1 ATOM 1304 C CD1 . LEU B 2 130 ? -7.931 17.856 4.619 1.00 35.53 ? 130 LEU H CD1 1 ATOM 1305 C CD2 . LEU B 2 130 ? -8.220 17.311 2.239 1.00 36.58 ? 130 LEU H CD2 1 ATOM 1306 N N . GLN B 2 131 ? -11.391 21.273 5.271 1.00 31.83 ? 131 GLN H N 1 ATOM 1307 C CA . GLN B 2 131 ? -11.808 22.670 5.138 1.00 30.86 ? 131 GLN H CA 1 ATOM 1308 C C . GLN B 2 131 ? -11.091 23.557 6.149 1.00 28.69 ? 131 GLN H C 1 ATOM 1309 O O . GLN B 2 131 ? -10.956 23.187 7.302 1.00 25.55 ? 131 GLN H O 1 ATOM 1310 C CB . GLN B 2 131 ? -13.293 22.775 5.390 1.00 33.48 ? 131 GLN H CB 1 ATOM 1311 C CG . GLN B 2 131 ? -14.040 21.792 4.566 1.00 40.12 ? 131 GLN H CG 1 ATOM 1312 C CD . GLN B 2 131 ? -15.470 22.175 4.364 1.00 42.91 ? 131 GLN H CD 1 ATOM 1313 O OE1 . GLN B 2 131 ? -16.284 21.329 4.013 1.00 46.61 ? 131 GLN H OE1 1 ATOM 1314 N NE2 . GLN B 2 131 ? -15.797 23.460 4.570 1.00 44.93 ? 131 GLN H NE2 1 ATOM 1315 N N . ALA B 2 132 ? -10.651 24.729 5.691 1.00 27.12 ? 132 ALA H N 1 ATOM 1316 C CA . ALA B 2 132 ? -9.930 25.655 6.528 1.00 27.85 ? 132 ALA H CA 1 ATOM 1317 C C . ALA B 2 132 ? -10.774 25.870 7.778 1.00 29.69 ? 132 ALA H C 1 ATOM 1318 O O . ALA B 2 132 ? -11.981 26.074 7.673 1.00 27.87 ? 132 ALA H O 1 ATOM 1319 C CB . ALA B 2 132 ? -9.722 26.978 5.800 1.00 27.01 ? 132 ALA H CB 1 ATOM 1320 N N . GLY B 2 133 ? -10.143 25.789 8.957 1.00 30.56 ? 133 GLY H N 1 ATOM 1321 C CA . GLY B 2 133 ? -10.874 26.005 10.184 1.00 31.21 ? 133 GLY H CA 1 ATOM 1322 C C . GLY B 2 133 ? -11.171 24.741 10.947 1.00 31.21 ? 133 GLY H C 1 ATOM 1323 O O . GLY B 2 133 ? -11.130 24.771 12.169 1.00 33.53 ? 133 GLY H O 1 ATOM 1324 N N . TYR B 2 134 ? -11.484 23.645 10.250 1.00 30.64 ? 134 TYR H N 1 ATOM 1325 C CA . TYR B 2 134 ? -11.780 22.341 10.895 1.00 27.47 ? 134 TYR H CA 1 ATOM 1326 C C . TYR B 2 134 ? -10.488 21.839 11.551 1.00 27.09 ? 134 TYR H C 1 ATOM 1327 O O . TYR B 2 134 ? -9.402 22.037 10.984 1.00 27.22 ? 134 TYR H O 1 ATOM 1328 C CB . TYR B 2 134 ? -12.257 21.343 9.806 1.00 29.69 ? 134 TYR H CB 1 ATOM 1329 C CG . TYR B 2 134 ? -13.662 21.619 9.266 1.00 32.02 ? 134 TYR H CG 1 ATOM 1330 C CD1 . TYR B 2 134 ? -14.393 22.723 9.692 1.00 34.25 ? 134 TYR H CD1 1 ATOM 1331 C CD2 . TYR B 2 134 ? -14.296 20.723 8.413 1.00 33.77 ? 134 TYR H CD2 1 ATOM 1332 C CE1 . TYR B 2 134 ? -15.728 22.931 9.283 1.00 34.17 ? 134 TYR H CE1 1 ATOM 1333 C CE2 . TYR B 2 134 ? -15.631 20.914 8.000 1.00 34.03 ? 134 TYR H CE2 1 ATOM 1334 C CZ . TYR B 2 134 ? -16.326 22.018 8.436 1.00 34.57 ? 134 TYR H CZ 1 ATOM 1335 O OH . TYR B 2 134 ? -17.607 22.246 8.006 1.00 34.23 ? 134 TYR H OH 1 ATOM 1336 N N . LYS B 2 135 ? -10.558 21.198 12.718 1.00 23.62 ? 135 LYS H N 1 ATOM 1337 C CA . LYS B 2 135 ? -9.327 20.738 13.332 1.00 24.89 ? 135 LYS H CA 1 ATOM 1338 C C . LYS B 2 135 ? -9.091 19.232 13.153 1.00 25.94 ? 135 LYS H C 1 ATOM 1339 O O . LYS B 2 135 ? -10.042 18.425 13.132 1.00 25.37 ? 135 LYS H O 1 ATOM 1340 C CB . LYS B 2 135 ? -9.303 21.034 14.836 1.00 26.09 ? 135 LYS H CB 1 ATOM 1341 C CG . LYS B 2 135 ? -9.305 22.539 15.232 1.00 28.14 ? 135 LYS H CG 1 ATOM 1342 C CD . LYS B 2 135 ? -9.343 22.705 16.754 1.00 27.84 ? 135 LYS H CD 1 ATOM 1343 C CE . LYS B 2 135 ? -9.176 24.219 17.174 1.00 28.87 ? 135 LYS H CE 1 ATOM 1344 N NZ . LYS B 2 135 ? -9.694 24.485 18.595 1.00 29.67 ? 135 LYS H NZ 1 ATOM 1345 N N . GLY B 2 136 ? -7.819 18.868 13.066 1.00 25.05 ? 136 GLY H N 1 ATOM 1346 C CA . GLY B 2 136 ? -7.435 17.465 12.952 1.00 25.12 ? 136 GLY H CA 1 ATOM 1347 C C . GLY B 2 136 ? -6.498 17.159 14.133 1.00 26.41 ? 136 GLY H C 1 ATOM 1348 O O . GLY B 2 136 ? -6.190 18.039 14.971 1.00 24.91 ? 136 GLY H O 1 ATOM 1349 N N . ARG B 2 137 ? -5.958 15.945 14.173 1.00 23.53 ? 137 ARG H N 1 ATOM 1350 C CA . ARG B 2 137 ? -5.108 15.575 15.279 1.00 23.22 ? 137 ARG H CA 1 ATOM 1351 C C . ARG B 2 137 ? -3.834 14.901 14.791 1.00 24.26 ? 137 ARG H C 1 ATOM 1352 O O . ARG B 2 137 ? -3.895 14.035 13.891 1.00 21.89 ? 137 ARG H O 1 ATOM 1353 C CB . ARG B 2 137 ? -5.883 14.618 16.205 1.00 23.56 ? 137 ARG H CB 1 ATOM 1354 C CG . ARG B 2 137 ? -5.055 13.910 17.277 1.00 21.15 ? 137 ARG H CG 1 ATOM 1355 C CD . ARG B 2 137 ? -5.899 12.933 18.082 1.00 21.17 ? 137 ARG H CD 1 ATOM 1356 N NE . ARG B 2 137 ? -6.906 13.627 18.876 1.00 22.12 ? 137 ARG H NE 1 ATOM 1357 C CZ . ARG B 2 137 ? -7.798 13.030 19.646 1.00 24.21 ? 137 ARG H CZ 1 ATOM 1358 N NH1 . ARG B 2 137 ? -7.802 11.669 19.734 1.00 24.45 ? 137 ARG H NH1 1 ATOM 1359 N NH2 . ARG B 2 137 ? -8.695 13.793 20.298 1.00 21.70 ? 137 ARG H NH2 1 ATOM 1360 N N . VAL B 2 138 ? -2.699 15.280 15.388 1.00 23.58 ? 138 VAL H N 1 ATOM 1361 C CA . VAL B 2 138 ? -1.399 14.693 15.009 1.00 25.48 ? 138 VAL H CA 1 ATOM 1362 C C . VAL B 2 138 ? -0.762 14.037 16.245 1.00 24.55 ? 138 VAL H C 1 ATOM 1363 O O . VAL B 2 138 ? -0.789 14.607 17.337 1.00 24.29 ? 138 VAL H O 1 ATOM 1364 C CB . VAL B 2 138 ? -0.396 15.787 14.453 1.00 28.17 ? 138 VAL H CB 1 ATOM 1365 C CG1 . VAL B 2 138 ? 0.795 15.120 13.750 1.00 30.25 ? 138 VAL H CG1 1 ATOM 1366 C CG2 . VAL B 2 138 ? -1.084 16.707 13.485 1.00 28.76 ? 138 VAL H CG2 1 ATOM 1367 N N . THR B 2 139 ? -0.165 12.865 16.062 1.00 22.84 ? 139 THR H N 1 ATOM 1368 C CA . THR B 2 139 ? 0.492 12.131 17.140 1.00 22.66 ? 139 THR H CA 1 ATOM 1369 C C . THR B 2 139 ? 1.928 11.703 16.823 1.00 22.82 ? 139 THR H C 1 ATOM 1370 O O . THR B 2 139 ? 2.223 11.365 15.690 1.00 22.02 ? 139 THR H O 1 ATOM 1371 C CB . THR B 2 139 ? -0.260 10.834 17.416 1.00 22.80 ? 139 THR H CB 1 ATOM 1372 O OG1 . THR B 2 139 ? -0.551 10.196 16.148 1.00 20.85 ? 139 THR H OG1 1 ATOM 1373 C CG2 . THR B 2 139 ? -1.534 11.144 18.216 1.00 22.70 ? 139 THR H CG2 1 ATOM 1374 N N . GLY B 2 140 ? 2.792 11.586 17.829 1.00 23.16 ? 140 GLY H N 1 ATOM 1375 C CA . GLY B 2 140 ? 4.151 11.157 17.505 1.00 22.63 ? 140 GLY H CA 1 ATOM 1376 C C . GLY B 2 140 ? 5.148 11.139 18.658 1.00 25.17 ? 140 GLY H C 1 ATOM 1377 O O . GLY B 2 140 ? 4.882 11.644 19.757 1.00 22.71 ? 140 GLY H O 1 ATOM 1378 N N . TRP B 2 141 ? 6.302 10.534 18.389 1.00 24.96 ? 141 TRP H N 1 ATOM 1379 C CA . TRP B 2 141 ? 7.342 10.365 19.350 1.00 26.03 ? 141 TRP H CA 1 ATOM 1380 C C . TRP B 2 141 ? 8.526 11.306 19.049 1.00 25.97 ? 141 TRP H C 1 ATOM 1381 O O . TRP B 2 141 ? 9.589 11.137 19.589 1.00 26.78 ? 141 TRP H O 1 ATOM 1382 C CB . TRP B 2 141 ? 7.790 8.889 19.327 1.00 28.57 ? 141 TRP H CB 1 ATOM 1383 C CG . TRP B 2 141 ? 7.097 7.999 20.409 1.00 31.20 ? 141 TRP H CG 1 ATOM 1384 C CD1 . TRP B 2 141 ? 7.316 8.000 21.797 1.00 33.66 ? 141 TRP H CD1 1 ATOM 1385 C CD2 . TRP B 2 141 ? 6.148 6.994 20.170 1.00 33.23 ? 141 TRP H CD2 1 ATOM 1386 N NE1 . TRP B 2 141 ? 6.545 7.030 22.406 1.00 35.83 ? 141 TRP H NE1 1 ATOM 1387 C CE2 . TRP B 2 141 ? 5.816 6.403 21.426 1.00 33.46 ? 141 TRP H CE2 1 ATOM 1388 C CE3 . TRP B 2 141 ? 5.540 6.519 19.013 1.00 34.57 ? 141 TRP H CE3 1 ATOM 1389 C CZ2 . TRP B 2 141 ? 4.912 5.373 21.541 1.00 37.25 ? 141 TRP H CZ2 1 ATOM 1390 C CZ3 . TRP B 2 141 ? 4.632 5.480 19.124 1.00 39.30 ? 141 TRP H CZ3 1 ATOM 1391 C CH2 . TRP B 2 141 ? 4.321 4.911 20.374 1.00 39.71 ? 141 TRP H CH2 1 ATOM 1392 N N . GLY B 2 142 ? 8.307 12.286 18.189 1.00 25.81 ? 142 GLY H N 1 ATOM 1393 C CA . GLY B 2 142 ? 9.325 13.250 17.808 1.00 26.13 ? 142 GLY H CA 1 ATOM 1394 C C . GLY B 2 142 ? 9.729 14.298 18.837 1.00 25.87 ? 142 GLY H C 1 ATOM 1395 O O . GLY B 2 142 ? 9.210 14.327 19.967 1.00 23.06 ? 142 GLY H O 1 ATOM 1396 N N . ASN B 2 143 ? 10.640 15.191 18.422 1.00 26.75 ? 143 ASN H N 1 ATOM 1397 C CA . ASN B 2 143 ? 11.156 16.227 19.314 1.00 28.25 ? 143 ASN H CA 1 ATOM 1398 C C . ASN B 2 143 ? 10.084 17.034 19.931 1.00 28.75 ? 143 ASN H C 1 ATOM 1399 O O . ASN B 2 143 ? 9.076 17.375 19.296 1.00 27.89 ? 143 ASN H O 1 ATOM 1400 C CB . ASN B 2 143 ? 12.107 17.161 18.592 1.00 29.72 ? 143 ASN H CB 1 ATOM 1401 C CG . ASN B 2 143 ? 13.393 16.484 18.230 1.00 31.54 ? 143 ASN H CG 1 ATOM 1402 O OD1 . ASN B 2 143 ? 13.685 15.389 18.726 1.00 32.86 ? 143 ASN H OD1 1 ATOM 1403 N ND2 . ASN B 2 143 ? 14.188 17.124 17.368 1.00 33.86 ? 143 ASN H ND2 1 ATOM 1404 N N . LEU B 2 144 ? 10.287 17.328 21.195 1.00 28.97 ? 144 LEU H N 1 ATOM 1405 C CA . LEU B 2 144 ? 9.341 18.143 21.961 1.00 29.97 ? 144 LEU H CA 1 ATOM 1406 C C . LEU B 2 144 ? 9.541 19.634 21.711 1.00 31.13 ? 144 LEU H C 1 ATOM 1407 O O . LEU B 2 144 ? 8.723 20.464 22.124 1.00 32.44 ? 144 LEU H O 1 ATOM 1408 C CB . LEU B 2 144 ? 9.518 17.868 23.433 1.00 29.19 ? 144 LEU H CB 1 ATOM 1409 C CG . LEU B 2 144 ? 9.070 16.480 23.855 1.00 30.07 ? 144 LEU H CG 1 ATOM 1410 C CD1 . LEU B 2 144 ? 9.714 16.166 25.246 1.00 29.52 ? 144 LEU H CD1 1 ATOM 1411 C CD2 . LEU B 2 144 ? 7.522 16.450 23.867 1.00 26.49 ? 144 LEU H CD2 1 ATOM 1412 N N . LYS B 2 145 ? 10.648 19.975 21.073 1.00 32.00 ? 145 LYS H N 1 ATOM 1413 C CA . LYS B 2 145 ? 10.874 21.368 20.740 1.00 34.53 ? 145 LYS H CA 1 ATOM 1414 C C . LYS B 2 145 ? 11.879 21.444 19.589 1.00 34.34 ? 145 LYS H C 1 ATOM 1415 O O . LYS B 2 145 ? 12.550 20.485 19.255 1.00 32.38 ? 145 LYS H O 1 ATOM 1416 C CB . LYS B 2 145 ? 11.347 22.181 21.962 1.00 37.36 ? 145 LYS H CB 1 ATOM 1417 C CG . LYS B 2 145 ? 12.801 21.979 22.294 1.00 40.39 ? 145 LYS H CG 1 ATOM 1418 C CD . LYS B 2 145 ? 13.034 20.671 23.027 1.00 45.01 ? 145 LYS H CD 1 ATOM 1419 C CE . LYS B 2 145 ? 13.479 20.931 24.491 1.00 47.62 ? 145 LYS H CE 1 ATOM 1420 N NZ . LYS B 2 145 ? 12.472 21.774 25.229 1.00 48.75 ? 145 LYS H NZ 1 ATOM 1421 N N . GLU B 2 146 ? 11.915 22.590 18.943 1.00 36.24 ? 146 GLU H N 1 ATOM 1422 C CA . GLU B 2 146 ? 12.802 22.847 17.807 1.00 38.90 ? 146 GLU H CA 1 ATOM 1423 C C . GLU B 2 146 ? 14.260 22.624 18.205 1.00 40.51 ? 146 GLU H C 1 ATOM 1424 O O . GLU B 2 146 ? 14.660 22.997 19.300 1.00 40.31 ? 146 GLU H O 1 ATOM 1425 C CB . GLU B 2 146 ? 12.586 24.308 17.364 1.00 36.31 ? 146 GLU H CB 1 ATOM 1426 C CG . GLU B 2 146 ? 13.314 24.726 16.143 1.00 34.69 ? 146 GLU H CG 1 ATOM 1427 C CD . GLU B 2 146 ? 13.052 26.195 15.791 1.00 35.10 ? 146 GLU H CD 1 ATOM 1428 O OE1 . GLU B 2 146 ? 13.975 27.035 15.995 1.00 36.84 ? 146 GLU H OE1 1 ATOM 1429 O OE2 . GLU B 2 146 ? 11.924 26.520 15.321 1.00 29.34 ? 146 GLU H OE2 1 ATOM 1430 N N . THR B 2 147 ? 15.052 22.018 17.322 1.00 44.32 ? 147 THR H N 1 ATOM 1431 C CA . THR B 2 147 ? 16.491 21.809 17.601 1.00 47.77 ? 147 THR H CA 1 ATOM 1432 C C . THR B 2 147 ? 17.376 22.483 16.538 1.00 49.58 ? 147 THR H C 1 ATOM 1433 O O . THR B 2 147 ? 17.270 22.216 15.314 1.00 52.17 ? 147 THR H O 1 ATOM 1434 C CB . THR B 2 147 ? 16.893 20.301 17.654 1.00 49.05 ? 147 THR H CB 1 ATOM 1435 O OG1 . THR B 2 147 ? 16.589 19.669 16.396 1.00 49.05 ? 147 THR H OG1 1 ATOM 1436 C CG2 . THR B 2 147 ? 16.183 19.597 18.834 1.00 49.82 ? 147 THR H CG2 1 ATOM 1437 N N . GLN B 2 156 ? 12.803 14.202 23.528 1.00 45.41 ? 151 GLN H N 1 ATOM 1438 C CA . GLN B 2 156 ? 12.345 12.819 23.315 1.00 44.16 ? 151 GLN H CA 1 ATOM 1439 C C . GLN B 2 156 ? 11.304 12.413 24.412 1.00 42.44 ? 151 GLN H C 1 ATOM 1440 O O . GLN B 2 156 ? 11.658 12.214 25.587 1.00 42.91 ? 151 GLN H O 1 ATOM 1441 C CB . GLN B 2 156 ? 13.564 11.892 23.353 1.00 47.02 ? 151 GLN H CB 1 ATOM 1442 C CG . GLN B 2 156 ? 14.198 11.813 24.774 1.00 52.66 ? 151 GLN H CG 1 ATOM 1443 C CD . GLN B 2 156 ? 15.741 11.742 24.808 1.00 54.26 ? 151 GLN H CD 1 ATOM 1444 O OE1 . GLN B 2 156 ? 16.355 10.696 24.487 1.00 54.62 ? 151 GLN H OE1 1 ATOM 1445 N NE2 . GLN B 2 156 ? 16.371 12.867 25.207 1.00 54.54 ? 151 GLN H NE2 1 ATOM 1446 N N . PRO B 2 157 ? 10.005 12.289 24.047 1.00 39.60 ? 152 PRO H N 1 ATOM 1447 C CA . PRO B 2 157 ? 9.041 11.915 25.094 1.00 37.02 ? 152 PRO H CA 1 ATOM 1448 C C . PRO B 2 157 ? 9.068 10.435 25.463 1.00 35.93 ? 152 PRO H C 1 ATOM 1449 O O . PRO B 2 157 ? 9.582 9.602 24.701 1.00 33.03 ? 152 PRO H O 1 ATOM 1450 C CB . PRO B 2 157 ? 7.700 12.330 24.483 1.00 38.10 ? 152 PRO H CB 1 ATOM 1451 C CG . PRO B 2 157 ? 7.914 12.027 22.995 1.00 36.75 ? 152 PRO H CG 1 ATOM 1452 C CD . PRO B 2 157 ? 9.321 12.556 22.755 1.00 36.88 ? 152 PRO H CD 1 ATOM 1453 N N . SER B 2 158 ? 8.518 10.111 26.636 1.00 34.31 ? 153 SER H N 1 ATOM 1454 C CA . SER B 2 158 ? 8.470 8.725 27.068 1.00 35.21 ? 153 SER H CA 1 ATOM 1455 C C . SER B 2 158 ? 7.118 8.077 26.720 1.00 35.14 ? 153 SER H C 1 ATOM 1456 O O . SER B 2 158 ? 7.000 6.838 26.676 1.00 35.91 ? 153 SER H O 1 ATOM 1457 C CB . SER B 2 158 ? 8.715 8.609 28.579 1.00 35.79 ? 153 SER H CB 1 ATOM 1458 O OG . SER B 2 158 ? 7.823 9.448 29.309 1.00 39.49 ? 153 SER H OG 1 ATOM 1459 N N . VAL B 2 159 ? 6.119 8.930 26.505 1.00 33.52 ? 154 VAL H N 1 ATOM 1460 C CA . VAL B 2 159 ? 4.762 8.536 26.171 1.00 32.03 ? 154 VAL H CA 1 ATOM 1461 C C . VAL B 2 159 ? 4.375 9.199 24.858 1.00 29.02 ? 154 VAL H C 1 ATOM 1462 O O . VAL B 2 159 ? 4.711 10.368 24.670 1.00 27.19 ? 154 VAL H O 1 ATOM 1463 C CB . VAL B 2 159 ? 3.830 9.017 27.290 1.00 34.33 ? 154 VAL H CB 1 ATOM 1464 C CG1 . VAL B 2 159 ? 2.387 8.854 26.911 1.00 36.43 ? 154 VAL H CG1 1 ATOM 1465 C CG2 . VAL B 2 159 ? 4.138 8.254 28.540 1.00 36.31 ? 154 VAL H CG2 1 ATOM 1466 N N . LEU B 2 160 ? 3.715 8.468 23.937 1.00 26.11 ? 155 LEU H N 1 ATOM 1467 C CA . LEU B 2 160 ? 3.237 9.068 22.657 1.00 23.68 ? 155 LEU H CA 1 ATOM 1468 C C . LEU B 2 160 ? 2.597 10.462 22.962 1.00 23.86 ? 155 LEU H C 1 ATOM 1469 O O . LEU B 2 160 ? 1.853 10.579 23.915 1.00 24.12 ? 155 LEU H O 1 ATOM 1470 C CB . LEU B 2 160 ? 2.128 8.197 22.014 1.00 20.95 ? 155 LEU H CB 1 ATOM 1471 C CG . LEU B 2 160 ? 1.646 8.666 20.629 1.00 19.50 ? 155 LEU H CG 1 ATOM 1472 C CD1 . LEU B 2 160 ? 2.876 8.586 19.661 1.00 17.44 ? 155 LEU H CD1 1 ATOM 1473 C CD2 . LEU B 2 160 ? 0.427 7.746 20.136 1.00 17.49 ? 155 LEU H CD2 1 ATOM 1474 N N . GLN B 2 161 ? 2.860 11.482 22.143 1.00 24.98 ? 156 GLN H N 1 ATOM 1475 C CA . GLN B 2 161 ? 2.316 12.837 22.346 1.00 25.17 ? 156 GLN H CA 1 ATOM 1476 C C . GLN B 2 161 ? 1.233 13.125 21.290 1.00 26.82 ? 156 GLN H C 1 ATOM 1477 O O . GLN B 2 161 ? 1.336 12.622 20.152 1.00 25.96 ? 156 GLN H O 1 ATOM 1478 C CB . GLN B 2 161 ? 3.419 13.853 22.178 1.00 26.67 ? 156 GLN H CB 1 ATOM 1479 C CG . GLN B 2 161 ? 4.504 13.674 23.175 1.00 28.51 ? 156 GLN H CG 1 ATOM 1480 C CD . GLN B 2 161 ? 4.020 14.140 24.498 1.00 27.37 ? 156 GLN H CD 1 ATOM 1481 O OE1 . GLN B 2 161 ? 3.579 15.268 24.620 1.00 27.92 ? 156 GLN H OE1 1 ATOM 1482 N NE2 . GLN B 2 161 ? 4.070 13.281 25.492 1.00 27.68 ? 156 GLN H NE2 1 ATOM 1483 N N . VAL B 2 162 ? 0.247 13.961 21.669 1.00 26.80 ? 157 VAL H N 1 ATOM 1484 C CA . VAL B 2 162 ? -0.902 14.325 20.839 1.00 27.20 ? 157 VAL H CA 1 ATOM 1485 C C . VAL B 2 162 ? -1.166 15.840 20.798 1.00 26.38 ? 157 VAL H C 1 ATOM 1486 O O . VAL B 2 162 ? -1.022 16.517 21.793 1.00 27.52 ? 157 VAL H O 1 ATOM 1487 C CB . VAL B 2 162 ? -2.209 13.631 21.405 1.00 28.41 ? 157 VAL H CB 1 ATOM 1488 C CG1 . VAL B 2 162 ? -3.356 13.588 20.350 1.00 29.32 ? 157 VAL H CG1 1 ATOM 1489 C CG2 . VAL B 2 162 ? -1.888 12.268 21.840 1.00 30.97 ? 157 VAL H CG2 1 ATOM 1490 N N . VAL B 2 163 ? -1.539 16.360 19.638 1.00 25.11 ? 158 VAL H N 1 ATOM 1491 C CA . VAL B 2 163 ? -1.863 17.760 19.491 1.00 26.57 ? 158 VAL H CA 1 ATOM 1492 C C . VAL B 2 163 ? -2.989 17.936 18.466 1.00 26.98 ? 158 VAL H C 1 ATOM 1493 O O . VAL B 2 163 ? -3.024 17.203 17.462 1.00 26.53 ? 158 VAL H O 1 ATOM 1494 C CB . VAL B 2 163 ? -0.586 18.655 19.119 1.00 26.05 ? 158 VAL H CB 1 ATOM 1495 C CG1 . VAL B 2 163 ? -0.096 18.422 17.701 1.00 22.13 ? 158 VAL H CG1 1 ATOM 1496 C CG2 . VAL B 2 163 ? -0.932 20.116 19.343 1.00 25.88 ? 158 VAL H CG2 1 ATOM 1497 N N . ASN B 2 164 ? -3.970 18.810 18.779 1.00 25.59 ? 159 ASN H N 1 ATOM 1498 C CA . ASN B 2 164 ? -5.070 19.100 17.881 1.00 25.62 ? 159 ASN H CA 1 ATOM 1499 C C . ASN B 2 164 ? -4.785 20.453 17.203 1.00 26.56 ? 159 ASN H C 1 ATOM 1500 O O . ASN B 2 164 ? -4.430 21.418 17.878 1.00 25.02 ? 159 ASN H O 1 ATOM 1501 C CB . ASN B 2 164 ? -6.423 19.099 18.634 1.00 26.74 ? 159 ASN H CB 1 ATOM 1502 C CG . ASN B 2 164 ? -6.747 17.727 19.249 1.00 26.98 ? 159 ASN H CG 1 ATOM 1503 O OD1 . ASN B 2 164 ? -6.255 16.681 18.772 1.00 25.71 ? 159 ASN H OD1 1 ATOM 1504 N ND2 . ASN B 2 164 ? -7.590 17.722 20.304 1.00 27.74 ? 159 ASN H ND2 1 ATOM 1505 N N . LEU B 2 165 ? -4.945 20.507 15.863 1.00 24.85 ? 160 LEU H N 1 ATOM 1506 C CA . LEU B 2 165 ? -4.618 21.692 15.054 1.00 24.15 ? 160 LEU H CA 1 ATOM 1507 C C . LEU B 2 165 ? -5.591 21.942 13.912 1.00 25.41 ? 160 LEU H C 1 ATOM 1508 O O . LEU B 2 165 ? -6.092 20.987 13.245 1.00 22.95 ? 160 LEU H O 1 ATOM 1509 C CB . LEU B 2 165 ? -3.196 21.589 14.440 1.00 24.87 ? 160 LEU H CB 1 ATOM 1510 C CG . LEU B 2 165 ? -2.025 21.370 15.429 1.00 26.81 ? 160 LEU H CG 1 ATOM 1511 C CD1 . LEU B 2 165 ? -0.740 21.164 14.613 1.00 28.64 ? 160 LEU H CD1 1 ATOM 1512 C CD2 . LEU B 2 165 ? -1.866 22.541 16.363 1.00 23.35 ? 160 LEU H CD2 1 ATOM 1513 N N . PRO B 2 166 ? -5.834 23.244 13.625 1.00 23.80 ? 161 PRO H N 1 ATOM 1514 C CA . PRO B 2 166 ? -6.757 23.597 12.555 1.00 23.76 ? 161 PRO H CA 1 ATOM 1515 C C . PRO B 2 166 ? -6.079 23.695 11.191 1.00 23.68 ? 161 PRO H C 1 ATOM 1516 O O . PRO B 2 166 ? -4.936 24.194 11.083 1.00 23.58 ? 161 PRO H O 1 ATOM 1517 C CB . PRO B 2 166 ? -7.321 24.957 13.016 1.00 23.06 ? 161 PRO H CB 1 ATOM 1518 C CG . PRO B 2 166 ? -6.126 25.626 13.604 1.00 24.36 ? 161 PRO H CG 1 ATOM 1519 C CD . PRO B 2 166 ? -5.333 24.448 14.312 1.00 24.89 ? 161 PRO H CD 1 ATOM 1520 N N . ILE B 2 167 ? -6.784 23.178 10.170 1.00 22.32 ? 162 ILE H N 1 ATOM 1521 C CA . ILE B 2 167 ? -6.373 23.266 8.783 1.00 22.12 ? 162 ILE H CA 1 ATOM 1522 C C . ILE B 2 167 ? -6.420 24.768 8.379 1.00 24.23 ? 162 ILE H C 1 ATOM 1523 O O . ILE B 2 167 ? -7.354 25.507 8.726 1.00 22.64 ? 162 ILE H O 1 ATOM 1524 C CB . ILE B 2 167 ? -7.352 22.487 7.918 1.00 23.70 ? 162 ILE H CB 1 ATOM 1525 C CG1 . ILE B 2 167 ? -7.184 20.965 8.187 1.00 23.70 ? 162 ILE H CG1 1 ATOM 1526 C CG2 . ILE B 2 167 ? -7.148 22.846 6.441 1.00 24.89 ? 162 ILE H CG2 1 ATOM 1527 C CD1 . ILE B 2 167 ? -8.431 20.141 7.746 1.00 24.90 ? 162 ILE H CD1 1 ATOM 1528 N N . VAL B 2 168 ? -5.437 25.195 7.605 1.00 23.58 ? 163 VAL H N 1 ATOM 1529 C CA . VAL B 2 168 ? -5.311 26.601 7.191 1.00 25.54 ? 163 VAL H CA 1 ATOM 1530 C C . VAL B 2 168 ? -5.631 26.841 5.701 1.00 25.59 ? 163 VAL H C 1 ATOM 1531 O O . VAL B 2 168 ? -5.431 25.928 4.880 1.00 26.57 ? 163 VAL H O 1 ATOM 1532 C CB . VAL B 2 168 ? -3.889 27.011 7.544 1.00 25.26 ? 163 VAL H CB 1 ATOM 1533 C CG1 . VAL B 2 168 ? -3.430 28.237 6.729 1.00 26.65 ? 163 VAL H CG1 1 ATOM 1534 C CG2 . VAL B 2 168 ? -3.833 27.227 9.079 1.00 26.59 ? 163 VAL H CG2 1 ATOM 1535 N N . GLU B 2 169 ? -6.140 28.024 5.315 1.00 28.24 ? 164 GLU H N 1 ATOM 1536 C CA . GLU B 2 169 ? -6.438 28.251 3.881 1.00 28.05 ? 164 GLU H CA 1 ATOM 1537 C C . GLU B 2 169 ? -5.170 28.247 3.077 1.00 28.97 ? 164 GLU H C 1 ATOM 1538 O O . GLU B 2 169 ? -4.113 28.706 3.547 1.00 28.01 ? 164 GLU H O 1 ATOM 1539 C CB . GLU B 2 169 ? -7.152 29.542 3.566 1.00 32.54 ? 164 GLU H CB 1 ATOM 1540 C CG . GLU B 2 169 ? -6.812 30.643 4.426 1.00 37.51 ? 164 GLU H CG 1 ATOM 1541 C CD . GLU B 2 169 ? -7.534 30.425 5.708 1.00 41.89 ? 164 GLU H CD 1 ATOM 1542 O OE1 . GLU B 2 169 ? -8.784 30.382 5.617 1.00 42.99 ? 164 GLU H OE1 1 ATOM 1543 O OE2 . GLU B 2 169 ? -6.873 30.240 6.766 1.00 40.87 ? 164 GLU H OE2 1 ATOM 1544 N N . ARG B 2 170 ? -5.292 27.690 1.866 1.00 28.04 ? 165 ARG H N 1 ATOM 1545 C CA . ARG B 2 170 ? -4.173 27.558 0.938 1.00 29.55 ? 165 ARG H CA 1 ATOM 1546 C C . ARG B 2 170 ? -3.419 28.837 0.630 1.00 28.87 ? 165 ARG H C 1 ATOM 1547 O O . ARG B 2 170 ? -2.220 28.795 0.479 1.00 28.32 ? 165 ARG H O 1 ATOM 1548 C CB . ARG B 2 170 ? -4.616 26.889 -0.345 1.00 29.38 ? 165 ARG H CB 1 ATOM 1549 C CG . ARG B 2 170 ? -3.439 26.354 -1.155 1.00 31.58 ? 165 ARG H CG 1 ATOM 1550 C CD . ARG B 2 170 ? -3.915 25.361 -2.294 1.00 34.00 ? 165 ARG H CD 1 ATOM 1551 N NE . ARG B 2 170 ? -4.336 24.073 -1.716 1.00 32.83 ? 165 ARG H NE 1 ATOM 1552 C CZ . ARG B 2 170 ? -3.528 23.036 -1.448 1.00 32.18 ? 165 ARG H CZ 1 ATOM 1553 N NH1 . ARG B 2 170 ? -2.220 23.097 -1.713 1.00 28.84 ? 165 ARG H NH1 1 ATOM 1554 N NH2 . ARG B 2 170 ? -4.037 21.928 -0.864 1.00 31.42 ? 165 ARG H NH2 1 ATOM 1555 N N . PRO B 2 171 ? -4.118 29.989 0.501 1.00 29.21 ? 166 PRO H N 1 ATOM 1556 C CA . PRO B 2 171 ? -3.335 31.189 0.225 1.00 29.58 ? 166 PRO H CA 1 ATOM 1557 C C . PRO B 2 171 ? -2.419 31.558 1.378 1.00 27.72 ? 166 PRO H C 1 ATOM 1558 O O . PRO B 2 171 ? -1.319 32.084 1.183 1.00 29.54 ? 166 PRO H O 1 ATOM 1559 C CB . PRO B 2 171 ? -4.406 32.266 -0.011 1.00 30.57 ? 166 PRO H CB 1 ATOM 1560 C CG . PRO B 2 171 ? -5.451 31.539 -0.657 1.00 31.44 ? 166 PRO H CG 1 ATOM 1561 C CD . PRO B 2 171 ? -5.538 30.230 0.196 1.00 29.98 ? 166 PRO H CD 1 ATOM 1562 N N . VAL B 2 172 ? -2.898 31.334 2.590 1.00 28.28 ? 167 VAL H N 1 ATOM 1563 C CA . VAL B 2 172 ? -2.093 31.639 3.773 1.00 27.24 ? 167 VAL H CA 1 ATOM 1564 C C . VAL B 2 172 ? -0.891 30.672 3.828 1.00 27.62 ? 167 VAL H C 1 ATOM 1565 O O . VAL B 2 172 ? 0.272 31.093 4.064 1.00 28.62 ? 167 VAL H O 1 ATOM 1566 C CB . VAL B 2 172 ? -2.940 31.468 5.065 1.00 26.24 ? 167 VAL H CB 1 ATOM 1567 C CG1 . VAL B 2 172 ? -2.047 31.564 6.336 1.00 25.17 ? 167 VAL H CG1 1 ATOM 1568 C CG2 . VAL B 2 172 ? -3.997 32.520 5.125 1.00 26.13 ? 167 VAL H CG2 1 ATOM 1569 N N . CYS B 2 173 ? -1.181 29.380 3.627 1.00 26.62 ? 168 CYS H N 1 ATOM 1570 C CA . CYS B 2 173 ? -0.148 28.348 3.634 1.00 25.79 ? 168 CYS H CA 1 ATOM 1571 C C . CYS B 2 173 ? 0.907 28.772 2.645 1.00 27.48 ? 168 CYS H C 1 ATOM 1572 O O . CYS B 2 173 ? 2.084 28.783 2.974 1.00 28.71 ? 168 CYS H O 1 ATOM 1573 C CB . CYS B 2 173 ? -0.718 26.962 3.196 1.00 24.68 ? 168 CYS H CB 1 ATOM 1574 S SG . CYS B 2 173 ? -1.872 26.192 4.394 1.00 24.18 ? 168 CYS H SG 1 ATOM 1575 N N . LYS B 2 174 ? 0.483 29.155 1.440 1.00 29.30 ? 169 LYS H N 1 ATOM 1576 C CA . LYS B 2 174 ? 1.440 29.528 0.382 1.00 32.03 ? 169 LYS H CA 1 ATOM 1577 C C . LYS B 2 174 ? 2.253 30.794 0.671 1.00 31.36 ? 169 LYS H C 1 ATOM 1578 O O . LYS B 2 174 ? 3.466 30.823 0.414 1.00 33.77 ? 169 LYS H O 1 ATOM 1579 C CB . LYS B 2 174 ? 0.732 29.650 -0.979 1.00 33.56 ? 169 LYS H CB 1 ATOM 1580 C CG . LYS B 2 174 ? 1.496 30.492 -1.998 1.00 38.39 ? 169 LYS H CG 1 ATOM 1581 C CD . LYS B 2 174 ? 1.370 29.948 -3.417 1.00 41.68 ? 169 LYS H CD 1 ATOM 1582 C CE . LYS B 2 174 ? 0.058 30.317 -4.039 1.00 43.53 ? 169 LYS H CE 1 ATOM 1583 N NZ . LYS B 2 174 ? -0.349 29.258 -5.023 1.00 48.06 ? 169 LYS H NZ 1 ATOM 1584 N N . ASP B 2 175 ? 1.633 31.793 1.257 1.00 30.15 ? 170 ASP H N 1 ATOM 1585 C CA . ASP B 2 175 ? 2.362 33.036 1.548 1.00 32.14 ? 170 ASP H CA 1 ATOM 1586 C C . ASP B 2 175 ? 3.284 32.876 2.731 1.00 32.59 ? 170 ASP H C 1 ATOM 1587 O O . ASP B 2 175 ? 4.179 33.698 2.912 1.00 34.56 ? 170 ASP H O 1 ATOM 1588 C CB . ASP B 2 175 ? 1.405 34.193 1.866 1.00 34.18 ? 170 ASP H CB 1 ATOM 1589 C CG . ASP B 2 175 ? 0.734 34.801 0.615 1.00 39.10 ? 170 ASP H CG 1 ATOM 1590 O OD1 . ASP B 2 175 ? -0.160 35.670 0.826 1.00 41.82 ? 170 ASP H OD1 1 ATOM 1591 O OD2 . ASP B 2 175 ? 1.081 34.443 -0.553 1.00 38.27 ? 170 ASP H OD2 1 ATOM 1592 N N . SER B 2 176 ? 3.089 31.845 3.553 1.00 30.47 ? 171 SER H N 1 ATOM 1593 C CA . SER B 2 176 ? 3.947 31.673 4.738 1.00 28.69 ? 171 SER H CA 1 ATOM 1594 C C . SER B 2 176 ? 5.302 31.084 4.432 1.00 26.60 ? 171 SER H C 1 ATOM 1595 O O . SER B 2 176 ? 6.101 30.952 5.348 1.00 27.31 ? 171 SER H O 1 ATOM 1596 C CB . SER B 2 176 ? 3.297 30.741 5.758 1.00 30.02 ? 171 SER H CB 1 ATOM 1597 O OG . SER B 2 176 ? 3.222 29.429 5.211 1.00 30.55 ? 171 SER H OG 1 ATOM 1598 N N . THR B 2 177 ? 5.602 30.766 3.175 1.00 24.94 ? 172 THR H N 1 ATOM 1599 C CA . THR B 2 177 ? 6.896 30.086 2.888 1.00 23.93 ? 172 THR H CA 1 ATOM 1600 C C . THR B 2 177 ? 7.387 30.348 1.462 1.00 25.54 ? 172 THR H C 1 ATOM 1601 O O . THR B 2 177 ? 6.597 30.682 0.563 1.00 28.29 ? 172 THR H O 1 ATOM 1602 C CB . THR B 2 177 ? 6.698 28.489 3.097 1.00 23.02 ? 172 THR H CB 1 ATOM 1603 O OG1 . THR B 2 177 ? 7.929 27.749 2.801 1.00 20.65 ? 172 THR H OG1 1 ATOM 1604 C CG2 . THR B 2 177 ? 5.523 27.958 2.162 1.00 21.65 ? 172 THR H CG2 1 ATOM 1605 N N . ARG B 2 178 ? 8.677 30.174 1.202 1.00 27.00 ? 173 ARG H N 1 ATOM 1606 C CA . ARG B 2 178 ? 9.107 30.353 -0.177 1.00 27.82 ? 173 ARG H CA 1 ATOM 1607 C C . ARG B 2 178 ? 9.262 29.010 -0.895 1.00 29.21 ? 173 ARG H C 1 ATOM 1608 O O . ARG B 2 178 ? 9.636 28.973 -2.055 1.00 30.17 ? 173 ARG H O 1 ATOM 1609 C CB . ARG B 2 178 ? 10.401 31.148 -0.230 1.00 29.69 ? 173 ARG H CB 1 ATOM 1610 C CG . ARG B 2 178 ? 10.181 32.681 0.209 1.00 31.06 ? 173 ARG H CG 1 ATOM 1611 C CD . ARG B 2 178 ? 9.228 33.467 -0.717 1.00 30.30 ? 173 ARG H CD 1 ATOM 1612 N NE . ARG B 2 178 ? 9.724 33.493 -2.098 1.00 33.96 ? 173 ARG H NE 1 ATOM 1613 C CZ . ARG B 2 178 ? 10.440 34.473 -2.665 1.00 34.85 ? 173 ARG H CZ 1 ATOM 1614 N NH1 . ARG B 2 178 ? 10.815 34.317 -3.928 1.00 35.35 ? 173 ARG H NH1 1 ATOM 1615 N NH2 . ARG B 2 178 ? 10.769 35.605 -1.998 1.00 32.13 ? 173 ARG H NH2 1 ATOM 1616 N N . ILE B 2 179 ? 8.991 27.903 -0.199 1.00 28.70 ? 174 ILE H N 1 ATOM 1617 C CA . ILE B 2 179 ? 9.062 26.570 -0.812 1.00 29.02 ? 174 ILE H CA 1 ATOM 1618 C C . ILE B 2 179 ? 7.745 26.483 -1.671 1.00 29.18 ? 174 ILE H C 1 ATOM 1619 O O . ILE B 2 179 ? 6.669 26.903 -1.208 1.00 27.27 ? 174 ILE H O 1 ATOM 1620 C CB A ILE B 2 179 ? 9.076 25.445 0.277 0.42 29.07 ? 174 ILE H CB 1 ATOM 1621 C CB B ILE B 2 179 ? 8.992 25.408 0.278 0.58 28.62 ? 174 ILE H CB 1 ATOM 1622 C CG1 A ILE B 2 179 ? 10.395 25.473 1.043 0.42 29.21 ? 174 ILE H CG1 1 ATOM 1623 C CG1 B ILE B 2 179 ? 10.188 25.424 1.234 0.58 28.19 ? 174 ILE H CG1 1 ATOM 1624 C CG2 A ILE B 2 179 ? 8.859 24.083 -0.368 0.42 29.86 ? 174 ILE H CG2 1 ATOM 1625 C CG2 B ILE B 2 179 ? 8.855 24.059 -0.421 0.58 29.67 ? 174 ILE H CG2 1 ATOM 1626 C CD1 A ILE B 2 179 ? 10.713 26.847 1.630 0.42 29.30 ? 174 ILE H CD1 1 ATOM 1627 C CD1 B ILE B 2 179 ? 11.456 24.872 0.685 0.58 26.70 ? 174 ILE H CD1 1 ATOM 1628 N N . ARG B 2 180 ? 7.856 25.974 -2.895 1.00 29.45 ? 175 ARG H N 1 ATOM 1629 C CA . ARG B 2 180 ? 6.716 25.773 -3.816 1.00 32.29 ? 175 ARG H CA 1 ATOM 1630 C C . ARG B 2 180 ? 5.712 24.744 -3.232 1.00 31.29 ? 175 ARG H C 1 ATOM 1631 O O . ARG B 2 180 ? 6.004 23.535 -3.165 1.00 31.76 ? 175 ARG H O 1 ATOM 1632 C CB . ARG B 2 180 ? 7.223 25.217 -5.157 1.00 34.08 ? 175 ARG H CB 1 ATOM 1633 C CG . ARG B 2 180 ? 6.340 25.489 -6.381 1.00 38.21 ? 175 ARG H CG 1 ATOM 1634 C CD . ARG B 2 180 ? 6.778 24.606 -7.559 1.00 42.82 ? 175 ARG H CD 1 ATOM 1635 N NE . ARG B 2 180 ? 5.953 23.399 -7.569 1.00 47.86 ? 175 ARG H NE 1 ATOM 1636 C CZ . ARG B 2 180 ? 6.387 22.138 -7.626 1.00 49.82 ? 175 ARG H CZ 1 ATOM 1637 N NH1 . ARG B 2 180 ? 7.687 21.857 -7.699 1.00 50.52 ? 175 ARG H NH1 1 ATOM 1638 N NH2 . ARG B 2 180 ? 5.500 21.150 -7.543 1.00 51.26 ? 175 ARG H NH2 1 ATOM 1639 N N . ILE B 2 181 ? 4.542 25.212 -2.808 1.00 29.84 ? 176 ILE H N 1 ATOM 1640 C CA . ILE B 2 181 ? 3.506 24.315 -2.252 1.00 28.78 ? 176 ILE H CA 1 ATOM 1641 C C . ILE B 2 181 ? 2.783 23.663 -3.451 1.00 27.84 ? 176 ILE H C 1 ATOM 1642 O O . ILE B 2 181 ? 2.801 24.256 -4.521 1.00 27.43 ? 176 ILE H O 1 ATOM 1643 C CB . ILE B 2 181 ? 2.422 25.127 -1.469 1.00 27.87 ? 176 ILE H CB 1 ATOM 1644 C CG1 . ILE B 2 181 ? 3.042 25.905 -0.308 1.00 27.32 ? 176 ILE H CG1 1 ATOM 1645 C CG2 . ILE B 2 181 ? 1.400 24.206 -0.908 1.00 32.24 ? 176 ILE H CG2 1 ATOM 1646 C CD1 . ILE B 2 181 ? 4.111 25.197 0.405 1.00 24.70 ? 176 ILE H CD1 1 ATOM 1647 N N . THR B 2 182 ? 2.141 22.501 -3.285 1.00 24.76 ? 177 THR H N 1 ATOM 1648 C CA . THR B 2 182 ? 1.375 21.895 -4.406 1.00 25.10 ? 177 THR H CA 1 ATOM 1649 C C . THR B 2 182 ? 0.028 21.380 -3.891 1.00 25.42 ? 177 THR H C 1 ATOM 1650 O O . THR B 2 182 ? -0.191 21.282 -2.675 1.00 26.85 ? 177 THR H O 1 ATOM 1651 C CB . THR B 2 182 ? 2.010 20.624 -4.969 1.00 24.32 ? 177 THR H CB 1 ATOM 1652 O OG1 . THR B 2 182 ? 1.945 19.591 -3.940 1.00 23.69 ? 177 THR H OG1 1 ATOM 1653 C CG2 . THR B 2 182 ? 3.496 20.893 -5.491 1.00 23.81 ? 177 THR H CG2 1 ATOM 1654 N N . ASP B 2 183 ? -0.838 20.987 -4.813 1.00 24.76 ? 178 ASP H N 1 ATOM 1655 C CA . ASP B 2 183 ? -2.120 20.401 -4.450 1.00 25.55 ? 178 ASP H CA 1 ATOM 1656 C C . ASP B 2 183 ? -1.956 19.058 -3.671 1.00 25.32 ? 178 ASP H C 1 ATOM 1657 O O . ASP B 2 183 ? -2.926 18.581 -3.065 1.00 24.99 ? 178 ASP H O 1 ATOM 1658 C CB . ASP B 2 183 ? -2.998 20.238 -5.723 1.00 28.56 ? 178 ASP H CB 1 ATOM 1659 C CG . ASP B 2 183 ? -3.417 21.624 -6.332 1.00 33.18 ? 178 ASP H CG 1 ATOM 1660 O OD1 . ASP B 2 183 ? -3.153 22.689 -5.699 1.00 34.17 ? 178 ASP H OD1 1 ATOM 1661 O OD2 . ASP B 2 183 ? -4.015 21.664 -7.426 1.00 34.58 ? 178 ASP H OD2 1 ATOM 1662 N N . ASN B 2 184 ? -0.752 18.463 -3.642 1.00 21.64 ? 179 ASN H N 1 ATOM 1663 C CA . ASN B 2 184 ? -0.550 17.221 -2.878 1.00 21.93 ? 179 ASN H CA 1 ATOM 1664 C C . ASN B 2 184 ? -0.169 17.480 -1.408 1.00 23.14 ? 179 ASN H C 1 ATOM 1665 O O . ASN B 2 184 ? 0.211 16.593 -0.694 1.00 22.76 ? 179 ASN H O 1 ATOM 1666 C CB . ASN B 2 184 ? 0.509 16.370 -3.556 1.00 21.06 ? 179 ASN H CB 1 ATOM 1667 C CG . ASN B 2 184 ? 0.094 16.029 -4.992 1.00 24.83 ? 179 ASN H CG 1 ATOM 1668 O OD1 . ASN B 2 184 ? -1.021 15.554 -5.216 1.00 23.45 ? 179 ASN H OD1 1 ATOM 1669 N ND2 . ASN B 2 184 ? 0.972 16.310 -5.966 1.00 22.63 ? 179 ASN H ND2 1 ATOM 1670 N N . MET B 2 185 ? -0.319 18.727 -0.975 1.00 24.44 ? 180 MET H N 1 ATOM 1671 C CA . MET B 2 185 ? 0.028 19.154 0.359 1.00 23.94 ? 180 MET H CA 1 ATOM 1672 C C . MET B 2 185 ? -1.094 19.986 0.980 1.00 22.90 ? 180 MET H C 1 ATOM 1673 O O . MET B 2 185 ? -1.872 20.565 0.263 1.00 25.30 ? 180 MET H O 1 ATOM 1674 C CB . MET B 2 185 ? 1.234 20.090 0.269 1.00 23.33 ? 180 MET H CB 1 ATOM 1675 C CG . MET B 2 185 ? 2.517 19.450 -0.167 1.00 23.95 ? 180 MET H CG 1 ATOM 1676 S SD . MET B 2 185 ? 3.730 20.771 -0.404 1.00 24.08 ? 180 MET H SD 1 ATOM 1677 C CE . MET B 2 185 ? 4.857 20.041 -1.634 1.00 24.01 ? 180 MET H CE 1 ATOM 1678 N N . PHE B 2 186 ? -1.186 19.998 2.305 1.00 21.74 ? 181 PHE H N 1 ATOM 1679 C CA . PHE B 2 186 ? -2.083 20.944 2.980 1.00 22.86 ? 181 PHE H CA 1 ATOM 1680 C C . PHE B 2 186 ? -1.294 21.371 4.272 1.00 20.98 ? 181 PHE H C 1 ATOM 1681 O O . PHE B 2 186 ? -0.330 20.671 4.695 1.00 19.48 ? 181 PHE H O 1 ATOM 1682 C CB . PHE B 2 186 ? -3.497 20.359 3.236 1.00 19.54 ? 181 PHE H CB 1 ATOM 1683 C CG . PHE B 2 186 ? -3.561 19.347 4.365 1.00 22.46 ? 181 PHE H CG 1 ATOM 1684 C CD1 . PHE B 2 186 ? -3.553 19.770 5.708 1.00 19.77 ? 181 PHE H CD1 1 ATOM 1685 C CD2 . PHE B 2 186 ? -3.651 17.973 4.086 1.00 21.28 ? 181 PHE H CD2 1 ATOM 1686 C CE1 . PHE B 2 186 ? -3.635 18.854 6.736 1.00 19.17 ? 181 PHE H CE1 1 ATOM 1687 C CE2 . PHE B 2 186 ? -3.723 17.022 5.111 1.00 20.91 ? 181 PHE H CE2 1 ATOM 1688 C CZ . PHE B 2 186 ? -3.716 17.468 6.439 1.00 22.33 ? 181 PHE H CZ 1 ATOM 1689 N N . CYS B 2 187 ? -1.596 22.550 4.835 1.00 21.37 ? 182 CYS H N 1 ATOM 1690 C CA . CYS B 2 187 ? -0.844 22.938 6.042 1.00 22.68 ? 182 CYS H CA 1 ATOM 1691 C C . CYS B 2 187 ? -1.843 23.123 7.179 1.00 22.47 ? 182 CYS H C 1 ATOM 1692 O O . CYS B 2 187 ? -3.035 23.313 6.954 1.00 21.90 ? 182 CYS H O 1 ATOM 1693 C CB . CYS B 2 187 ? 0.048 24.198 5.794 1.00 24.04 ? 182 CYS H CB 1 ATOM 1694 S SG . CYS B 2 187 ? -0.692 25.902 6.021 1.00 26.48 ? 182 CYS H SG 1 ATOM 1695 N N . ALA B 2 188 ? -1.346 23.045 8.406 1.00 22.20 ? 183 ALA H N 1 ATOM 1696 C CA . ALA B 2 188 ? -2.184 23.170 9.577 1.00 23.84 ? 183 ALA H CA 1 ATOM 1697 C C . ALA B 2 188 ? -1.442 23.856 10.714 1.00 23.54 ? 183 ALA H C 1 ATOM 1698 O O . ALA B 2 188 ? -0.210 23.734 10.823 1.00 25.41 ? 183 ALA H O 1 ATOM 1699 C CB . ALA B 2 188 ? -2.659 21.762 10.057 1.00 21.42 ? 183 ALA H CB 1 ATOM 1700 N N . GLY B 2 189 ? -2.216 24.485 11.599 1.00 24.66 ? 184 GLY H N 1 ATOM 1701 C CA . GLY B 2 189 ? -1.647 25.193 12.751 1.00 25.11 ? 184 GLY H CA 1 ATOM 1702 C C . GLY B 2 189 ? -2.368 26.536 13.050 1.00 25.62 ? 184 GLY H C 1 ATOM 1703 O O . GLY B 2 189 ? -3.159 27.012 12.232 1.00 23.31 ? 184 GLY H O 1 ATOM 1704 N N . TYR B 2 190 A -2.103 27.123 14.223 1.00 23.82 ? 184 TYR H N 1 ATOM 1705 C CA . TYR B 2 190 A -2.729 28.381 14.593 1.00 26.93 ? 184 TYR H CA 1 ATOM 1706 C C . TYR B 2 190 A -2.027 29.595 13.990 1.00 27.50 ? 184 TYR H C 1 ATOM 1707 O O . TYR B 2 190 A -0.856 29.533 13.655 1.00 29.29 ? 184 TYR H O 1 ATOM 1708 C CB . TYR B 2 190 A -2.784 28.513 16.110 1.00 28.30 ? 184 TYR H CB 1 ATOM 1709 C CG . TYR B 2 190 A -3.710 27.515 16.777 1.00 26.38 ? 184 TYR H CG 1 ATOM 1710 C CD1 . TYR B 2 190 A -5.089 27.704 16.779 1.00 27.75 ? 184 TYR H CD1 1 ATOM 1711 C CD2 . TYR B 2 190 A -3.205 26.381 17.376 1.00 28.91 ? 184 TYR H CD2 1 ATOM 1712 C CE1 . TYR B 2 190 A -5.947 26.792 17.369 1.00 27.94 ? 184 TYR H CE1 1 ATOM 1713 C CE2 . TYR B 2 190 A -4.051 25.437 17.954 1.00 28.05 ? 184 TYR H CE2 1 ATOM 1714 C CZ . TYR B 2 190 A -5.417 25.654 17.950 1.00 29.08 ? 184 TYR H CZ 1 ATOM 1715 O OH . TYR B 2 190 A -6.245 24.722 18.520 1.00 28.69 ? 184 TYR H OH 1 ATOM 1716 N N . LYS B 2 191 ? -2.788 30.655 13.780 1.00 29.77 ? 185 LYS H N 1 ATOM 1717 C CA . LYS B 2 191 ? -2.308 31.918 13.222 1.00 32.94 ? 185 LYS H CA 1 ATOM 1718 C C . LYS B 2 191 ? -1.566 32.721 14.283 1.00 33.71 ? 185 LYS H C 1 ATOM 1719 O O . LYS B 2 191 ? -1.789 32.522 15.461 1.00 32.60 ? 185 LYS H O 1 ATOM 1720 C CB . LYS B 2 191 ? -3.484 32.758 12.736 1.00 31.45 ? 185 LYS H CB 1 ATOM 1721 C CG . LYS B 2 191 ? -3.697 32.640 11.279 1.00 35.00 ? 185 LYS H CG 1 ATOM 1722 C CD . LYS B 2 191 ? -4.873 31.805 10.985 1.00 35.94 ? 185 LYS H CD 1 ATOM 1723 C CE . LYS B 2 191 ? -4.990 31.671 9.501 1.00 36.71 ? 185 LYS H CE 1 ATOM 1724 N NZ . LYS B 2 191 ? -6.358 31.235 9.226 1.00 36.94 ? 185 LYS H NZ 1 ATOM 1725 N N . PRO B 2 192 ? -0.690 33.646 13.862 1.00 37.80 ? 186 PRO H N 1 ATOM 1726 C CA . PRO B 2 192 ? 0.139 34.544 14.678 1.00 41.37 ? 186 PRO H CA 1 ATOM 1727 C C . PRO B 2 192 ? -0.307 34.950 16.079 1.00 45.82 ? 186 PRO H C 1 ATOM 1728 O O . PRO B 2 192 ? 0.514 35.391 16.888 1.00 47.98 ? 186 PRO H O 1 ATOM 1729 C CB . PRO B 2 192 ? 0.352 35.705 13.756 1.00 41.88 ? 186 PRO H CB 1 ATOM 1730 C CG . PRO B 2 192 ? 0.665 34.941 12.452 1.00 40.96 ? 186 PRO H CG 1 ATOM 1731 C CD . PRO B 2 192 ? -0.389 33.837 12.431 1.00 38.15 ? 186 PRO H CD 1 ATOM 1732 N N . ASP B 2 193 A -1.587 34.880 16.391 1.00 50.43 ? 186 ASP H N 1 ATOM 1733 C CA . ASP B 2 193 A -1.979 35.102 17.800 1.00 53.67 ? 186 ASP H CA 1 ATOM 1734 C C . ASP B 2 193 A -3.408 34.614 18.131 1.00 55.08 ? 186 ASP H C 1 ATOM 1735 O O . ASP B 2 193 A -4.112 35.197 18.951 1.00 55.03 ? 186 ASP H O 1 ATOM 1736 C CB . ASP B 2 193 A -1.740 36.551 18.269 1.00 55.15 ? 186 ASP H CB 1 ATOM 1737 C CG . ASP B 2 193 A -2.453 37.558 17.420 1.00 59.70 ? 186 ASP H CG 1 ATOM 1738 O OD1 . ASP B 2 193 A -3.027 37.106 16.385 1.00 61.28 ? 186 ASP H OD1 1 ATOM 1739 O OD2 . ASP B 2 193 A -2.434 38.784 17.770 1.00 60.57 ? 186 ASP H OD2 1 ATOM 1740 N N . GLU B 2 194 B -3.821 33.522 17.488 1.00 56.26 ? 186 GLU H N 1 ATOM 1741 C CA . GLU B 2 194 B -5.125 32.925 17.779 1.00 58.16 ? 186 GLU H CA 1 ATOM 1742 C C . GLU B 2 194 B -4.989 32.422 19.227 1.00 58.61 ? 186 GLU H C 1 ATOM 1743 O O . GLU B 2 194 B -5.782 31.557 19.669 1.00 60.88 ? 186 GLU H O 1 ATOM 1744 C CB . GLU B 2 194 B -5.416 31.703 16.878 1.00 58.47 ? 186 GLU H CB 1 ATOM 1745 C CG . GLU B 2 194 B -5.631 31.988 15.384 1.00 59.85 ? 186 GLU H CG 1 ATOM 1746 C CD . GLU B 2 194 B -5.938 30.709 14.540 1.00 59.69 ? 186 GLU H CD 1 ATOM 1747 O OE1 . GLU B 2 194 B -5.059 30.244 13.795 1.00 59.87 ? 186 GLU H OE1 1 ATOM 1748 O OE2 . GLU B 2 194 B -7.065 30.168 14.600 1.00 59.86 ? 186 GLU H OE2 1 ATOM 1749 N N . GLY B 2 195 C -3.978 32.939 19.940 1.00 56.46 ? 186 GLY H N 1 ATOM 1750 C CA . GLY B 2 195 C -3.723 32.520 21.308 1.00 53.98 ? 186 GLY H CA 1 ATOM 1751 C C . GLY B 2 195 C -3.040 31.153 21.509 1.00 52.18 ? 186 GLY H C 1 ATOM 1752 O O . GLY B 2 195 C -2.111 31.030 22.325 1.00 51.40 ? 186 GLY H O 1 ATOM 1753 N N . LYS B 2 196 D -3.467 30.122 20.775 1.00 49.82 ? 186 LYS H N 1 ATOM 1754 C CA . LYS B 2 196 D -2.889 28.785 20.968 1.00 46.58 ? 186 LYS H CA 1 ATOM 1755 C C . LYS B 2 196 D -1.681 28.496 20.090 1.00 44.16 ? 186 LYS H C 1 ATOM 1756 O O . LYS B 2 196 D -1.383 29.259 19.154 1.00 43.90 ? 186 LYS H O 1 ATOM 1757 C CB . LYS B 2 196 D -3.961 27.726 20.733 1.00 48.93 ? 186 LYS H CB 1 ATOM 1758 C CG . LYS B 2 196 D -5.350 28.178 21.148 1.00 51.54 ? 186 LYS H CG 1 ATOM 1759 C CD . LYS B 2 196 D -6.288 27.006 21.412 1.00 53.34 ? 186 LYS H CD 1 ATOM 1760 C CE . LYS B 2 196 D -5.912 26.232 22.677 1.00 55.74 ? 186 LYS H CE 1 ATOM 1761 N NZ . LYS B 2 196 D -6.872 25.059 22.905 1.00 55.86 ? 186 LYS H NZ 1 ATOM 1762 N N . ARG B 2 197 ? -0.964 27.421 20.420 1.00 39.39 ? 187 ARG H N 1 ATOM 1763 C CA . ARG B 2 197 ? 0.199 26.996 19.643 1.00 35.71 ? 187 ARG H CA 1 ATOM 1764 C C . ARG B 2 197 ? 0.168 25.473 19.457 1.00 31.85 ? 187 ARG H C 1 ATOM 1765 O O . ARG B 2 197 ? -0.759 24.797 19.888 1.00 29.62 ? 187 ARG H O 1 ATOM 1766 C CB . ARG B 2 197 ? 1.522 27.343 20.329 1.00 38.44 ? 187 ARG H CB 1 ATOM 1767 C CG . ARG B 2 197 ? 1.419 27.962 21.696 1.00 44.25 ? 187 ARG H CG 1 ATOM 1768 C CD . ARG B 2 197 ? 2.805 28.015 22.372 1.00 46.09 ? 187 ARG H CD 1 ATOM 1769 N NE . ARG B 2 197 ? 3.867 28.168 21.373 1.00 49.61 ? 187 ARG H NE 1 ATOM 1770 C CZ . ARG B 2 197 ? 4.187 29.309 20.771 1.00 50.03 ? 187 ARG H CZ 1 ATOM 1771 N NH1 . ARG B 2 197 ? 3.536 30.423 21.073 1.00 51.79 ? 187 ARG H NH1 1 ATOM 1772 N NH2 . ARG B 2 197 ? 5.139 29.329 19.844 1.00 51.64 ? 187 ARG H NH2 1 ATOM 1773 N N . GLY B 2 198 ? 1.226 24.934 18.870 1.00 27.50 ? 188 GLY H N 1 ATOM 1774 C CA . GLY B 2 198 ? 1.286 23.505 18.651 1.00 26.57 ? 188 GLY H CA 1 ATOM 1775 C C . GLY B 2 198 ? 1.774 23.196 17.249 1.00 24.77 ? 188 GLY H C 1 ATOM 1776 O O . GLY B 2 198 ? 1.475 23.920 16.285 1.00 24.13 ? 188 GLY H O 1 ATOM 1777 N N . ASP B 2 199 ? 2.486 22.083 17.131 1.00 24.10 ? 189 ASP H N 1 ATOM 1778 C CA . ASP B 2 199 ? 3.040 21.680 15.842 1.00 23.78 ? 189 ASP H CA 1 ATOM 1779 C C . ASP B 2 199 ? 3.652 20.268 15.951 1.00 23.44 ? 189 ASP H C 1 ATOM 1780 O O . ASP B 2 199 ? 3.878 19.731 17.047 1.00 22.43 ? 189 ASP H O 1 ATOM 1781 C CB . ASP B 2 199 ? 4.178 22.677 15.468 1.00 24.05 ? 189 ASP H CB 1 ATOM 1782 C CG . ASP B 2 199 ? 4.543 22.654 13.999 1.00 25.44 ? 189 ASP H CG 1 ATOM 1783 O OD1 . ASP B 2 199 ? 3.913 21.904 13.201 1.00 27.50 ? 189 ASP H OD1 1 ATOM 1784 O OD2 . ASP B 2 199 ? 5.473 23.399 13.618 1.00 25.03 ? 189 ASP H OD2 1 ATOM 1785 N N . ALA B 2 200 ? 3.919 19.679 14.800 1.00 23.27 ? 190 ALA H N 1 ATOM 1786 C CA . ALA B 2 200 ? 4.647 18.404 14.745 1.00 24.94 ? 190 ALA H CA 1 ATOM 1787 C C . ALA B 2 200 ? 6.091 18.940 14.683 1.00 25.33 ? 190 ALA H C 1 ATOM 1788 O O . ALA B 2 200 ? 6.285 20.175 14.598 1.00 25.32 ? 190 ALA H O 1 ATOM 1789 C CB . ALA B 2 200 ? 4.294 17.635 13.469 1.00 23.68 ? 190 ALA H CB 1 ATOM 1790 N N . CYS B 2 201 ? 7.098 18.055 14.745 1.00 25.43 ? 191 CYS H N 1 ATOM 1791 C CA . CYS B 2 201 ? 8.493 18.499 14.693 1.00 25.41 ? 191 CYS H CA 1 ATOM 1792 C C . CYS B 2 201 ? 9.347 17.356 14.095 1.00 26.17 ? 191 CYS H C 1 ATOM 1793 O O . CYS B 2 201 ? 8.784 16.332 13.723 1.00 24.43 ? 191 CYS H O 1 ATOM 1794 C CB . CYS B 2 201 ? 8.932 18.835 16.140 1.00 27.85 ? 191 CYS H CB 1 ATOM 1795 S SG . CYS B 2 201 ? 10.437 19.894 16.291 1.00 27.47 ? 191 CYS H SG 1 ATOM 1796 N N . GLU B 2 202 ? 10.682 17.498 14.009 1.00 25.72 ? 192 GLU H N 1 ATOM 1797 C CA . GLU B 2 202 ? 11.510 16.415 13.435 1.00 24.95 ? 192 GLU H CA 1 ATOM 1798 C C . GLU B 2 202 ? 11.359 15.110 14.206 1.00 24.47 ? 192 GLU H C 1 ATOM 1799 O O . GLU B 2 202 ? 11.293 15.124 15.439 1.00 23.04 ? 192 GLU H O 1 ATOM 1800 C CB . GLU B 2 202 ? 13.003 16.798 13.378 1.00 27.34 ? 192 GLU H CB 1 ATOM 1801 C CG . GLU B 2 202 ? 13.369 17.747 12.239 1.00 28.96 ? 192 GLU H CG 1 ATOM 1802 C CD . GLU B 2 202 ? 12.929 19.199 12.470 1.00 31.69 ? 192 GLU H CD 1 ATOM 1803 O OE1 . GLU B 2 202 ? 12.708 19.911 11.443 1.00 31.62 ? 192 GLU H OE1 1 ATOM 1804 O OE2 . GLU B 2 202 ? 12.792 19.627 13.649 1.00 30.47 ? 192 GLU H OE2 1 ATOM 1805 N N . GLY B 2 203 ? 11.308 13.974 13.488 1.00 23.33 ? 193 GLY H N 1 ATOM 1806 C CA . GLY B 2 203 ? 11.093 12.700 14.164 1.00 23.00 ? 193 GLY H CA 1 ATOM 1807 C C . GLY B 2 203 ? 9.591 12.357 14.099 1.00 23.54 ? 193 GLY H C 1 ATOM 1808 O O . GLY B 2 203 ? 9.243 11.206 14.225 1.00 25.42 ? 193 GLY H O 1 ATOM 1809 N N . ASP B 2 204 ? 8.706 13.323 13.883 1.00 20.97 ? 194 ASP H N 1 ATOM 1810 C CA . ASP B 2 204 ? 7.279 12.991 13.764 1.00 24.21 ? 194 ASP H CA 1 ATOM 1811 C C . ASP B 2 204 ? 6.864 12.635 12.329 1.00 23.84 ? 194 ASP H C 1 ATOM 1812 O O . ASP B 2 204 ? 5.709 12.208 12.106 1.00 24.52 ? 194 ASP H O 1 ATOM 1813 C CB . ASP B 2 204 ? 6.361 14.130 14.232 1.00 23.62 ? 194 ASP H CB 1 ATOM 1814 C CG . ASP B 2 204 ? 6.447 14.383 15.741 1.00 26.12 ? 194 ASP H CG 1 ATOM 1815 O OD1 . ASP B 2 204 ? 6.525 13.418 16.532 1.00 25.85 ? 194 ASP H OD1 1 ATOM 1816 O OD2 . ASP B 2 204 ? 6.412 15.558 16.134 1.00 22.29 ? 194 ASP H OD2 1 ATOM 1817 N N . SER B 2 205 ? 7.743 12.849 11.347 1.00 21.13 ? 195 SER H N 1 ATOM 1818 C CA . SER B 2 205 ? 7.351 12.478 9.970 1.00 23.50 ? 195 SER H CA 1 ATOM 1819 C C . SER B 2 205 ? 6.791 11.008 9.869 1.00 22.08 ? 195 SER H C 1 ATOM 1820 O O . SER B 2 205 ? 7.298 10.075 10.523 1.00 20.28 ? 195 SER H O 1 ATOM 1821 C CB . SER B 2 205 ? 8.559 12.605 9.014 1.00 21.41 ? 195 SER H CB 1 ATOM 1822 O OG . SER B 2 205 ? 8.996 13.970 8.920 1.00 21.19 ? 195 SER H OG 1 ATOM 1823 N N . GLY B 2 206 ? 5.762 10.827 9.051 1.00 24.25 ? 196 GLY H N 1 ATOM 1824 C CA . GLY B 2 206 ? 5.175 9.504 8.845 1.00 23.04 ? 196 GLY H CA 1 ATOM 1825 C C . GLY B 2 206 ? 3.941 9.314 9.692 1.00 26.03 ? 196 GLY H C 1 ATOM 1826 O O . GLY B 2 206 ? 3.016 8.522 9.360 1.00 25.93 ? 196 GLY H O 1 ATOM 1827 N N . GLY B 2 207 ? 3.883 10.089 10.774 1.00 26.38 ? 197 GLY H N 1 ATOM 1828 C CA . GLY B 2 207 ? 2.742 9.959 11.645 1.00 24.60 ? 197 GLY H CA 1 ATOM 1829 C C . GLY B 2 207 ? 1.499 10.502 10.972 1.00 21.91 ? 197 GLY H C 1 ATOM 1830 O O . GLY B 2 207 ? 1.555 11.273 10.012 1.00 20.64 ? 197 GLY H O 1 ATOM 1831 N N . PRO B 2 208 ? 0.329 10.083 11.480 1.00 20.61 ? 198 PRO H N 1 ATOM 1832 C CA . PRO B 2 208 ? -0.968 10.531 10.915 1.00 18.00 ? 198 PRO H CA 1 ATOM 1833 C C . PRO B 2 208 ? -1.562 11.819 11.444 1.00 18.85 ? 198 PRO H C 1 ATOM 1834 O O . PRO B 2 208 ? -1.404 12.148 12.628 1.00 20.30 ? 198 PRO H O 1 ATOM 1835 C CB . PRO B 2 208 ? -1.904 9.372 11.236 1.00 17.51 ? 198 PRO H CB 1 ATOM 1836 C CG . PRO B 2 208 ? -1.390 8.960 12.686 1.00 17.24 ? 198 PRO H CG 1 ATOM 1837 C CD . PRO B 2 208 ? 0.166 9.114 12.584 1.00 14.86 ? 198 PRO H CD 1 ATOM 1838 N N . PHE B 2 209 ? -2.223 12.526 10.530 1.00 19.15 ? 199 PHE H N 1 ATOM 1839 C CA . PHE B 2 209 ? -3.018 13.711 10.792 1.00 20.66 ? 199 PHE H CA 1 ATOM 1840 C C . PHE B 2 209 ? -4.428 13.122 10.574 1.00 19.55 ? 199 PHE H C 1 ATOM 1841 O O . PHE B 2 209 ? -4.845 12.850 9.440 1.00 17.09 ? 199 PHE H O 1 ATOM 1842 C CB . PHE B 2 209 ? -2.759 14.867 9.773 1.00 21.39 ? 199 PHE H CB 1 ATOM 1843 C CG . PHE B 2 209 ? -3.694 16.054 9.939 1.00 22.87 ? 199 PHE H CG 1 ATOM 1844 C CD1 . PHE B 2 209 ? -5.029 15.987 9.531 1.00 23.03 ? 199 PHE H CD1 1 ATOM 1845 C CD2 . PHE B 2 209 ? -3.221 17.260 10.520 1.00 23.80 ? 199 PHE H CD2 1 ATOM 1846 C CE1 . PHE B 2 209 ? -5.908 17.117 9.682 1.00 21.94 ? 199 PHE H CE1 1 ATOM 1847 C CE2 . PHE B 2 209 ? -4.056 18.358 10.687 1.00 23.21 ? 199 PHE H CE2 1 ATOM 1848 C CZ . PHE B 2 209 ? -5.417 18.288 10.258 1.00 23.15 ? 199 PHE H CZ 1 ATOM 1849 N N . VAL B 2 210 ? -5.129 12.894 11.669 1.00 19.17 ? 200 VAL H N 1 ATOM 1850 C CA . VAL B 2 210 ? -6.476 12.305 11.571 1.00 21.14 ? 200 VAL H CA 1 ATOM 1851 C C . VAL B 2 210 ? -7.616 13.247 11.949 1.00 21.45 ? 200 VAL H C 1 ATOM 1852 O O . VAL B 2 210 ? -7.389 14.237 12.664 1.00 20.91 ? 200 VAL H O 1 ATOM 1853 C CB . VAL B 2 210 ? -6.610 11.047 12.492 1.00 22.29 ? 200 VAL H CB 1 ATOM 1854 C CG1 . VAL B 2 210 ? -5.658 9.917 11.997 1.00 22.86 ? 200 VAL H CG1 1 ATOM 1855 C CG2 . VAL B 2 210 ? -6.320 11.442 14.008 1.00 21.52 ? 200 VAL H CG2 1 ATOM 1856 N N . MET B 2 211 ? -8.826 12.886 11.516 1.00 20.80 ? 201 MET H N 1 ATOM 1857 C CA . MET B 2 211 ? -10.057 13.660 11.765 1.00 22.28 ? 201 MET H CA 1 ATOM 1858 C C . MET B 2 211 ? -11.192 12.692 12.113 1.00 23.94 ? 201 MET H C 1 ATOM 1859 O O . MET B 2 211 ? -11.326 11.595 11.505 1.00 24.77 ? 201 MET H O 1 ATOM 1860 C CB . MET B 2 211 ? -10.483 14.490 10.521 1.00 21.42 ? 201 MET H CB 1 ATOM 1861 C CG . MET B 2 211 ? -9.486 15.555 10.151 1.00 23.24 ? 201 MET H CG 1 ATOM 1862 S SD . MET B 2 211 ? -9.856 16.648 8.804 1.00 25.62 ? 201 MET H SD 1 ATOM 1863 C CE . MET B 2 211 ? -10.944 17.880 9.695 1.00 26.75 ? 201 MET H CE 1 ATOM 1864 N N . LYS B 2 212 ? -12.037 13.066 13.063 1.00 23.95 ? 202 LYS H N 1 ATOM 1865 C CA . LYS B 2 212 ? -13.099 12.133 13.393 1.00 25.88 ? 202 LYS H CA 1 ATOM 1866 C C . LYS B 2 212 ? -14.316 12.573 12.573 1.00 27.56 ? 202 LYS H C 1 ATOM 1867 O O . LYS B 2 212 ? -14.670 13.785 12.550 1.00 28.12 ? 202 LYS H O 1 ATOM 1868 C CB . LYS B 2 212 ? -13.361 12.145 14.905 1.00 27.71 ? 202 LYS H CB 1 ATOM 1869 C CG . LYS B 2 212 ? -14.561 11.297 15.306 1.00 30.12 ? 202 LYS H CG 1 ATOM 1870 C CD . LYS B 2 212 ? -14.459 10.845 16.753 1.00 32.26 ? 202 LYS H CD 1 ATOM 1871 C CE . LYS B 2 212 ? -15.728 10.058 17.141 1.00 31.07 ? 202 LYS H CE 1 ATOM 1872 N NZ . LYS B 2 212 ? -15.618 9.391 18.476 1.00 30.65 ? 202 LYS H NZ 1 ATOM 1873 N N . SER B 2 213 ? -14.929 11.628 11.863 1.00 27.86 ? 203 SER H N 1 ATOM 1874 C CA . SER B 2 213 ? -16.081 11.980 11.024 1.00 29.58 ? 203 SER H CA 1 ATOM 1875 C C . SER B 2 213 ? -17.331 12.200 11.830 1.00 29.58 ? 203 SER H C 1 ATOM 1876 O O . SER B 2 213 ? -17.730 11.328 12.568 1.00 29.10 ? 203 SER H O 1 ATOM 1877 C CB . SER B 2 213 ? -16.417 10.886 10.000 1.00 29.18 ? 203 SER H CB 1 ATOM 1878 O OG . SER B 2 213 ? -17.684 11.207 9.412 1.00 29.56 ? 203 SER H OG 1 ATOM 1879 N N . PRO B 2 214 ? -17.992 13.343 11.650 1.00 30.40 ? 204 PRO H N 1 ATOM 1880 C CA . PRO B 2 214 ? -19.215 13.555 12.434 1.00 31.94 ? 204 PRO H CA 1 ATOM 1881 C C . PRO B 2 214 ? -20.411 12.810 11.819 1.00 33.70 ? 204 PRO H C 1 ATOM 1882 O O . PRO B 2 214 ? -21.500 12.901 12.346 1.00 34.73 ? 204 PRO H O 1 ATOM 1883 C CB . PRO B 2 214 ? -19.387 15.072 12.392 1.00 30.10 ? 204 PRO H CB 1 ATOM 1884 C CG . PRO B 2 214 ? -18.991 15.376 10.954 1.00 30.56 ? 204 PRO H CG 1 ATOM 1885 C CD . PRO B 2 214 ? -17.737 14.484 10.746 1.00 30.83 ? 204 PRO H CD 1 ATOM 1886 N N . PHE B 2 215 A -20.211 12.045 10.743 1.00 33.87 ? 204 PHE H N 1 ATOM 1887 C CA . PHE B 2 215 A -21.348 11.344 10.130 1.00 34.34 ? 204 PHE H CA 1 ATOM 1888 C C . PHE B 2 215 A -21.417 9.866 10.469 1.00 34.19 ? 204 PHE H C 1 ATOM 1889 O O . PHE B 2 215 A -22.498 9.303 10.478 1.00 35.67 ? 204 PHE H O 1 ATOM 1890 C CB . PHE B 2 215 A -21.316 11.512 8.611 1.00 34.68 ? 204 PHE H CB 1 ATOM 1891 C CG . PHE B 2 215 A -21.144 12.926 8.187 1.00 37.20 ? 204 PHE H CG 1 ATOM 1892 C CD1 . PHE B 2 215 A -22.048 13.905 8.627 1.00 36.71 ? 204 PHE H CD1 1 ATOM 1893 C CD2 . PHE B 2 215 A -20.080 13.298 7.368 1.00 37.19 ? 204 PHE H CD2 1 ATOM 1894 C CE1 . PHE B 2 215 A -21.896 15.228 8.267 1.00 37.49 ? 204 PHE H CE1 1 ATOM 1895 C CE2 . PHE B 2 215 A -19.918 14.640 6.993 1.00 38.92 ? 204 PHE H CE2 1 ATOM 1896 C CZ . PHE B 2 215 A -20.834 15.610 7.452 1.00 38.41 ? 204 PHE H CZ 1 ATOM 1897 N N . ASN B 2 216 B -20.273 9.221 10.700 1.00 31.92 ? 204 ASN H N 1 ATOM 1898 C CA . ASN B 2 216 B -20.270 7.798 11.072 1.00 30.76 ? 204 ASN H CA 1 ATOM 1899 C C . ASN B 2 216 B -19.348 7.501 12.312 1.00 29.81 ? 204 ASN H C 1 ATOM 1900 O O . ASN B 2 216 B -19.123 6.349 12.666 1.00 29.21 ? 204 ASN H O 1 ATOM 1901 C CB . ASN B 2 216 B -19.936 6.907 9.858 1.00 27.53 ? 204 ASN H CB 1 ATOM 1902 C CG . ASN B 2 216 B -18.498 7.147 9.292 1.00 29.65 ? 204 ASN H CG 1 ATOM 1903 O OD1 . ASN B 2 216 B -18.180 6.619 8.242 1.00 30.71 ? 204 ASN H OD1 1 ATOM 1904 N ND2 . ASN B 2 216 B -17.662 7.932 9.982 1.00 23.54 ? 204 ASN H ND2 1 ATOM 1905 N N . ASN B 2 217 ? -18.830 8.563 12.952 1.00 29.01 ? 205 ASN H N 1 ATOM 1906 C CA . ASN B 2 217 ? -18.023 8.429 14.171 1.00 29.28 ? 205 ASN H CA 1 ATOM 1907 C C . ASN B 2 217 ? -16.659 7.709 14.014 1.00 27.68 ? 205 ASN H C 1 ATOM 1908 O O . ASN B 2 217 ? -16.045 7.298 15.023 1.00 26.97 ? 205 ASN H O 1 ATOM 1909 C CB . ASN B 2 217 ? -18.846 7.705 15.261 1.00 31.65 ? 205 ASN H CB 1 ATOM 1910 C CG . ASN B 2 217 ? -18.488 8.173 16.687 1.00 36.78 ? 205 ASN H CG 1 ATOM 1911 O OD1 . ASN B 2 217 ? -18.517 7.398 17.667 1.00 40.77 ? 205 ASN H OD1 1 ATOM 1912 N ND2 . ASN B 2 217 ? -18.189 9.444 16.816 1.00 39.02 ? 205 ASN H ND2 1 ATOM 1913 N N . ARG B 2 218 ? -16.192 7.557 12.776 1.00 25.74 ? 206 ARG H N 1 ATOM 1914 C CA . ARG B 2 218 ? -14.899 6.886 12.542 1.00 25.04 ? 206 ARG H CA 1 ATOM 1915 C C . ARG B 2 218 ? -13.794 7.893 12.301 1.00 24.44 ? 206 ARG H C 1 ATOM 1916 O O . ARG B 2 218 ? -14.026 9.039 11.864 1.00 23.28 ? 206 ARG H O 1 ATOM 1917 C CB . ARG B 2 218 ? -14.965 5.933 11.334 1.00 26.15 ? 206 ARG H CB 1 ATOM 1918 C CG . ARG B 2 218 ? -15.935 4.804 11.538 1.00 26.66 ? 206 ARG H CG 1 ATOM 1919 C CD . ARG B 2 218 ? -16.054 3.918 10.324 1.00 31.72 ? 206 ARG H CD 1 ATOM 1920 N NE . ARG B 2 218 ? -17.109 2.894 10.502 1.00 32.86 ? 206 ARG H NE 1 ATOM 1921 C CZ . ARG B 2 218 ? -16.899 1.628 10.876 1.00 36.73 ? 206 ARG H CZ 1 ATOM 1922 N NH1 . ARG B 2 218 ? -15.679 1.191 11.114 1.00 37.63 ? 206 ARG H NH1 1 ATOM 1923 N NH2 . ARG B 2 218 ? -17.915 0.779 11.022 1.00 38.30 ? 206 ARG H NH2 1 ATOM 1924 N N . TRP B 2 219 ? -12.586 7.451 12.624 1.00 23.43 ? 207 TRP H N 1 ATOM 1925 C CA . TRP B 2 219 ? -11.386 8.248 12.418 1.00 23.47 ? 207 TRP H CA 1 ATOM 1926 C C . TRP B 2 219 ? -10.787 7.980 11.031 1.00 22.30 ? 207 TRP H C 1 ATOM 1927 O O . TRP B 2 219 ? -10.672 6.822 10.588 1.00 23.06 ? 207 TRP H O 1 ATOM 1928 C CB . TRP B 2 219 ? -10.388 7.948 13.541 1.00 22.73 ? 207 TRP H CB 1 ATOM 1929 C CG . TRP B 2 219 ? -10.857 8.394 14.882 1.00 21.04 ? 207 TRP H CG 1 ATOM 1930 C CD1 . TRP B 2 219 ? -11.523 7.655 15.811 1.00 21.77 ? 207 TRP H CD1 1 ATOM 1931 C CD2 . TRP B 2 219 ? -10.601 9.657 15.490 1.00 22.03 ? 207 TRP H CD2 1 ATOM 1932 N NE1 . TRP B 2 219 ? -11.683 8.374 16.979 1.00 23.43 ? 207 TRP H NE1 1 ATOM 1933 C CE2 . TRP B 2 219 ? -11.130 9.610 16.801 1.00 21.17 ? 207 TRP H CE2 1 ATOM 1934 C CE3 . TRP B 2 219 ? -9.977 10.831 15.057 1.00 21.51 ? 207 TRP H CE3 1 ATOM 1935 C CZ2 . TRP B 2 219 ? -11.056 10.686 17.673 1.00 22.29 ? 207 TRP H CZ2 1 ATOM 1936 C CZ3 . TRP B 2 219 ? -9.906 11.913 15.948 1.00 22.31 ? 207 TRP H CZ3 1 ATOM 1937 C CH2 . TRP B 2 219 ? -10.444 11.817 17.231 1.00 19.14 ? 207 TRP H CH2 1 ATOM 1938 N N . TYR B 2 220 ? -10.454 9.060 10.344 1.00 20.85 ? 208 TYR H N 1 ATOM 1939 C CA . TYR B 2 220 ? -9.911 8.993 9.015 1.00 21.03 ? 208 TYR H CA 1 ATOM 1940 C C . TYR B 2 220 ? -8.567 9.708 8.924 1.00 22.27 ? 208 TYR H C 1 ATOM 1941 O O . TYR B 2 220 ? -8.408 10.861 9.433 1.00 20.15 ? 208 TYR H O 1 ATOM 1942 C CB . TYR B 2 220 ? -10.848 9.678 8.018 1.00 21.55 ? 208 TYR H CB 1 ATOM 1943 C CG . TYR B 2 220 ? -12.119 8.926 7.700 1.00 26.64 ? 208 TYR H CG 1 ATOM 1944 C CD1 . TYR B 2 220 ? -13.262 9.045 8.542 1.00 22.98 ? 208 TYR H CD1 1 ATOM 1945 C CD2 . TYR B 2 220 ? -12.195 8.113 6.530 1.00 26.51 ? 208 TYR H CD2 1 ATOM 1946 C CE1 . TYR B 2 220 ? -14.439 8.384 8.224 1.00 27.58 ? 208 TYR H CE1 1 ATOM 1947 C CE2 . TYR B 2 220 ? -13.371 7.431 6.194 1.00 27.40 ? 208 TYR H CE2 1 ATOM 1948 C CZ . TYR B 2 220 ? -14.485 7.575 7.051 1.00 28.37 ? 208 TYR H CZ 1 ATOM 1949 O OH . TYR B 2 220 ? -15.610 6.909 6.739 1.00 28.53 ? 208 TYR H OH 1 ATOM 1950 N N . GLN B 2 221 ? -7.622 9.078 8.226 1.00 20.75 ? 209 GLN H N 1 ATOM 1951 C CA . GLN B 2 221 ? -6.337 9.725 8.041 1.00 21.06 ? 209 GLN H CA 1 ATOM 1952 C C . GLN B 2 221 ? -6.380 10.632 6.805 1.00 22.16 ? 209 GLN H C 1 ATOM 1953 O O . GLN B 2 221 ? -6.441 10.152 5.672 1.00 21.50 ? 209 GLN H O 1 ATOM 1954 C CB . GLN B 2 221 ? -5.177 8.703 7.932 1.00 21.42 ? 209 GLN H CB 1 ATOM 1955 C CG . GLN B 2 221 ? -3.809 9.451 7.819 1.00 20.02 ? 209 GLN H CG 1 ATOM 1956 C CD . GLN B 2 221 ? -2.593 8.530 7.864 1.00 21.39 ? 209 GLN H CD 1 ATOM 1957 O OE1 . GLN B 2 221 ? -2.692 7.362 8.276 1.00 22.31 ? 209 GLN H OE1 1 ATOM 1958 N NE2 . GLN B 2 221 ? -1.444 9.050 7.447 1.00 17.27 ? 209 GLN H NE2 1 ATOM 1959 N N . MET B 2 222 ? -6.376 11.959 7.035 1.00 21.28 ? 210 MET H N 1 ATOM 1960 C CA . MET B 2 222 ? -6.405 12.930 5.970 1.00 20.10 ? 210 MET H CA 1 ATOM 1961 C C . MET B 2 222 ? -4.978 13.321 5.542 1.00 19.31 ? 210 MET H C 1 ATOM 1962 O O . MET B 2 222 ? -4.749 13.753 4.421 1.00 19.65 ? 210 MET H O 1 ATOM 1963 C CB . MET B 2 222 ? -7.163 14.171 6.446 1.00 23.50 ? 210 MET H CB 1 ATOM 1964 C CG . MET B 2 222 ? -8.534 13.813 7.083 1.00 24.58 ? 210 MET H CG 1 ATOM 1965 S SD . MET B 2 222 ? -9.485 12.756 5.857 1.00 27.75 ? 210 MET H SD 1 ATOM 1966 C CE . MET B 2 222 ? -9.691 13.936 4.423 1.00 25.76 ? 210 MET H CE 1 ATOM 1967 N N . GLY B 2 223 ? -4.020 13.202 6.452 1.00 19.39 ? 211 GLY H N 1 ATOM 1968 C CA . GLY B 2 223 ? -2.664 13.584 6.105 1.00 18.63 ? 211 GLY H CA 1 ATOM 1969 C C . GLY B 2 223 ? -1.542 12.761 6.763 1.00 17.93 ? 211 GLY H C 1 ATOM 1970 O O . GLY B 2 223 ? -1.783 11.982 7.678 1.00 16.95 ? 211 GLY H O 1 ATOM 1971 N N . ILE B 2 224 ? -0.326 12.961 6.246 1.00 17.50 ? 212 ILE H N 1 ATOM 1972 C CA . ILE B 2 224 ? 0.902 12.381 6.787 1.00 17.17 ? 212 ILE H CA 1 ATOM 1973 C C . ILE B 2 224 ? 1.895 13.550 7.147 1.00 17.65 ? 212 ILE H C 1 ATOM 1974 O O . ILE B 2 224 ? 2.180 14.418 6.308 1.00 18.04 ? 212 ILE H O 1 ATOM 1975 C CB . ILE B 2 224 ? 1.618 11.498 5.730 1.00 17.83 ? 212 ILE H CB 1 ATOM 1976 C CG1 . ILE B 2 224 ? 0.699 10.340 5.283 1.00 17.11 ? 212 ILE H CG1 1 ATOM 1977 C CG2 . ILE B 2 224 ? 2.955 10.950 6.317 1.00 16.50 ? 212 ILE H CG2 1 ATOM 1978 C CD1 . ILE B 2 224 ? 1.229 9.672 3.849 1.00 18.77 ? 212 ILE H CD1 1 ATOM 1979 N N . VAL B 2 225 ? 2.427 13.567 8.362 1.00 17.79 ? 213 VAL H N 1 ATOM 1980 C CA . VAL B 2 225 ? 3.399 14.638 8.774 1.00 17.88 ? 213 VAL H CA 1 ATOM 1981 C C . VAL B 2 225 ? 4.556 14.624 7.750 1.00 19.24 ? 213 VAL H C 1 ATOM 1982 O O . VAL B 2 225 ? 5.225 13.627 7.580 1.00 17.35 ? 213 VAL H O 1 ATOM 1983 C CB . VAL B 2 225 ? 3.991 14.347 10.172 1.00 18.30 ? 213 VAL H CB 1 ATOM 1984 C CG1 . VAL B 2 225 ? 5.135 15.366 10.487 1.00 16.70 ? 213 VAL H CG1 1 ATOM 1985 C CG2 . VAL B 2 225 ? 2.870 14.366 11.241 1.00 15.15 ? 213 VAL H CG2 1 ATOM 1986 N N . SER B 2 226 ? 4.798 15.748 7.104 1.00 19.19 ? 214 SER H N 1 ATOM 1987 C CA . SER B 2 226 ? 5.763 15.775 6.042 1.00 21.06 ? 214 SER H CA 1 ATOM 1988 C C . SER B 2 226 ? 6.941 16.723 6.276 1.00 20.58 ? 214 SER H C 1 ATOM 1989 O O . SER B 2 226 ? 8.101 16.287 6.228 1.00 20.63 ? 214 SER H O 1 ATOM 1990 C CB . SER B 2 226 ? 5.038 16.101 4.688 1.00 19.15 ? 214 SER H CB 1 ATOM 1991 O OG . SER B 2 226 ? 5.927 16.128 3.561 1.00 21.55 ? 214 SER H OG 1 ATOM 1992 N N . TRP B 2 227 ? 6.666 17.995 6.504 1.00 20.55 ? 215 TRP H N 1 ATOM 1993 C CA . TRP B 2 227 ? 7.780 18.953 6.719 1.00 20.78 ? 215 TRP H CA 1 ATOM 1994 C C . TRP B 2 227 ? 7.361 20.281 7.374 1.00 20.80 ? 215 TRP H C 1 ATOM 1995 O O . TRP B 2 227 ? 6.182 20.545 7.574 1.00 18.49 ? 215 TRP H O 1 ATOM 1996 C CB . TRP B 2 227 ? 8.391 19.316 5.366 1.00 20.84 ? 215 TRP H CB 1 ATOM 1997 C CG . TRP B 2 227 ? 7.414 19.952 4.366 1.00 21.98 ? 215 TRP H CG 1 ATOM 1998 C CD1 . TRP B 2 227 ? 6.611 19.283 3.474 1.00 23.99 ? 215 TRP H CD1 1 ATOM 1999 C CD2 . TRP B 2 227 ? 7.302 21.346 4.022 1.00 23.83 ? 215 TRP H CD2 1 ATOM 2000 N NE1 . TRP B 2 227 ? 6.041 20.162 2.575 1.00 24.37 ? 215 TRP H NE1 1 ATOM 2001 C CE2 . TRP B 2 227 ? 6.435 21.435 2.892 1.00 24.85 ? 215 TRP H CE2 1 ATOM 2002 C CE3 . TRP B 2 227 ? 7.859 22.536 4.556 1.00 23.44 ? 215 TRP H CE3 1 ATOM 2003 C CZ2 . TRP B 2 227 ? 6.112 22.663 2.275 1.00 24.91 ? 215 TRP H CZ2 1 ATOM 2004 C CZ3 . TRP B 2 227 ? 7.558 23.757 3.943 1.00 24.45 ? 215 TRP H CZ3 1 ATOM 2005 C CH2 . TRP B 2 227 ? 6.689 23.814 2.805 1.00 24.23 ? 215 TRP H CH2 1 ATOM 2006 N N . GLY B 2 228 ? 8.358 21.133 7.635 1.00 22.31 ? 216 GLY H N 1 ATOM 2007 C CA . GLY B 2 228 ? 8.091 22.459 8.196 1.00 23.75 ? 216 GLY H CA 1 ATOM 2008 C C . GLY B 2 228 ? 9.408 23.236 8.181 1.00 25.45 ? 216 GLY H C 1 ATOM 2009 O O . GLY B 2 228 ? 10.401 22.751 7.659 1.00 25.64 ? 216 GLY H O 1 ATOM 2010 N N . GLU B 2 229 ? 9.416 24.437 8.747 1.00 25.86 ? 217 GLU H N 1 ATOM 2011 C CA . GLU B 2 229 ? 10.638 25.242 8.855 1.00 26.25 ? 217 GLU H CA 1 ATOM 2012 C C . GLU B 2 229 ? 10.713 25.627 10.366 1.00 24.57 ? 217 GLU H C 1 ATOM 2013 O O . GLU B 2 229 ? 9.973 26.485 10.869 1.00 25.03 ? 217 GLU H O 1 ATOM 2014 C CB . GLU B 2 229 ? 10.519 26.440 7.914 1.00 26.90 ? 217 GLU H CB 1 ATOM 2015 C CG . GLU B 2 229 ? 10.423 25.952 6.428 1.00 31.22 ? 217 GLU H CG 1 ATOM 2016 C CD . GLU B 2 229 ? 10.209 27.067 5.430 1.00 31.03 ? 217 GLU H CD 1 ATOM 2017 O OE1 . GLU B 2 229 ? 9.091 27.648 5.387 1.00 33.00 ? 217 GLU H OE1 1 ATOM 2018 O OE2 . GLU B 2 229 ? 11.182 27.366 4.690 1.00 33.12 ? 217 GLU H OE2 1 ATOM 2019 N N . GLY B 2 230 ? 11.584 24.948 11.085 1.00 23.58 ? 219 GLY H N 1 ATOM 2020 C CA . GLY B 2 230 ? 11.662 25.147 12.534 1.00 23.83 ? 219 GLY H CA 1 ATOM 2021 C C . GLY B 2 230 ? 10.444 24.381 13.046 1.00 26.17 ? 219 GLY H C 1 ATOM 2022 O O . GLY B 2 230 ? 9.800 23.637 12.246 1.00 24.36 ? 219 GLY H O 1 ATOM 2023 N N . CYS B 2 231 ? 10.113 24.493 14.326 1.00 25.50 ? 220 CYS H N 1 ATOM 2024 C CA . CYS B 2 231 ? 8.886 23.802 14.807 1.00 26.91 ? 220 CYS H CA 1 ATOM 2025 C C . CYS B 2 231 ? 8.130 24.815 15.666 1.00 26.25 ? 220 CYS H C 1 ATOM 2026 O O . CYS B 2 231 ? 8.769 25.540 16.454 1.00 27.67 ? 220 CYS H O 1 ATOM 2027 C CB . CYS B 2 231 ? 9.201 22.555 15.662 1.00 26.55 ? 220 CYS H CB 1 ATOM 2028 S SG . CYS B 2 231 ? 10.239 21.310 14.839 1.00 27.76 ? 220 CYS H SG 1 ATOM 2029 N N . ASP B 2 232 A 6.821 24.895 15.473 1.00 23.77 ? 221 ASP H N 1 ATOM 2030 C CA . ASP B 2 232 A 5.957 25.800 16.230 1.00 25.48 ? 221 ASP H CA 1 ATOM 2031 C C . ASP B 2 232 A 6.349 27.309 16.161 1.00 25.23 ? 221 ASP H C 1 ATOM 2032 O O . ASP B 2 232 A 6.123 28.022 17.130 1.00 24.19 ? 221 ASP H O 1 ATOM 2033 C CB . ASP B 2 232 A 5.921 25.370 17.707 1.00 26.74 ? 221 ASP H CB 1 ATOM 2034 C CG . ASP B 2 232 A 4.713 25.934 18.469 1.00 30.81 ? 221 ASP H CG 1 ATOM 2035 O OD1 . ASP B 2 232 A 3.615 26.001 17.861 1.00 31.33 ? 221 ASP H OD1 1 ATOM 2036 O OD2 . ASP B 2 232 A 4.849 26.286 19.696 1.00 29.42 ? 221 ASP H OD2 1 ATOM 2037 N N . ARG B 2 233 ? 6.867 27.792 15.030 1.00 24.69 ? 221 ARG H N 1 ATOM 2038 C CA . ARG B 2 233 ? 7.203 29.232 14.908 1.00 26.69 ? 221 ARG H CA 1 ATOM 2039 C C . ARG B 2 233 ? 6.002 30.116 14.588 1.00 27.03 ? 221 ARG H C 1 ATOM 2040 O O . ARG B 2 233 ? 5.074 29.712 13.872 1.00 25.43 ? 221 ARG H O 1 ATOM 2041 C CB . ARG B 2 233 ? 8.272 29.481 13.833 1.00 26.48 ? 221 ARG H CB 1 ATOM 2042 C CG . ARG B 2 233 ? 9.641 28.970 14.309 1.00 28.56 ? 221 ARG H CG 1 ATOM 2043 C CD . ARG B 2 233 ? 10.741 29.425 13.425 1.00 29.55 ? 221 ARG H CD 1 ATOM 2044 N NE . ARG B 2 233 ? 12.033 28.903 13.890 1.00 29.93 ? 221 ARG H NE 1 ATOM 2045 C CZ . ARG B 2 233 ? 13.209 29.360 13.471 1.00 28.20 ? 221 ARG H CZ 1 ATOM 2046 N NH1 . ARG B 2 233 ? 14.341 28.815 13.938 1.00 27.71 ? 221 ARG H NH1 1 ATOM 2047 N NH2 . ARG B 2 233 ? 13.255 30.367 12.593 1.00 27.52 ? 221 ARG H NH2 1 ATOM 2048 N N . ASP B 2 234 ? 6.035 31.327 15.129 1.00 26.85 ? 222 ASP H N 1 ATOM 2049 C CA . ASP B 2 234 ? 4.984 32.329 14.910 1.00 27.50 ? 222 ASP H CA 1 ATOM 2050 C C . ASP B 2 234 ? 4.831 32.651 13.421 1.00 27.62 ? 222 ASP H C 1 ATOM 2051 O O . ASP B 2 234 ? 5.773 33.116 12.809 1.00 28.55 ? 222 ASP H O 1 ATOM 2052 C CB . ASP B 2 234 ? 5.348 33.605 15.667 1.00 29.40 ? 222 ASP H CB 1 ATOM 2053 C CG . ASP B 2 234 ? 4.336 34.739 15.434 1.00 31.38 ? 222 ASP H CG 1 ATOM 2054 O OD1 . ASP B 2 234 ? 4.755 35.906 15.238 1.00 34.50 ? 222 ASP H OD1 1 ATOM 2055 O OD2 . ASP B 2 234 ? 3.132 34.473 15.465 1.00 30.79 ? 222 ASP H OD2 1 ATOM 2056 N N . GLY B 2 235 ? 3.645 32.425 12.842 1.00 26.95 ? 223 GLY H N 1 ATOM 2057 C CA . GLY B 2 235 ? 3.467 32.690 11.425 1.00 26.02 ? 223 GLY H CA 1 ATOM 2058 C C . GLY B 2 235 ? 3.958 31.580 10.485 1.00 27.84 ? 223 GLY H C 1 ATOM 2059 O O . GLY B 2 235 ? 3.956 31.774 9.245 1.00 28.12 ? 223 GLY H O 1 ATOM 2060 N N . LYS B 2 236 ? 4.388 30.426 11.029 1.00 28.13 ? 224 LYS H N 1 ATOM 2061 C CA . LYS B 2 236 ? 4.808 29.298 10.181 1.00 27.29 ? 224 LYS H CA 1 ATOM 2062 C C . LYS B 2 236 ? 3.726 28.253 10.409 1.00 27.00 ? 224 LYS H C 1 ATOM 2063 O O . LYS B 2 236 ? 3.016 28.348 11.375 1.00 27.01 ? 224 LYS H O 1 ATOM 2064 C CB . LYS B 2 236 ? 6.152 28.691 10.586 1.00 28.16 ? 224 LYS H CB 1 ATOM 2065 C CG . LYS B 2 236 ? 7.353 29.618 10.432 1.00 31.47 ? 224 LYS H CG 1 ATOM 2066 C CD . LYS B 2 236 ? 7.500 30.136 8.989 1.00 35.19 ? 224 LYS H CD 1 ATOM 2067 C CE . LYS B 2 236 ? 8.289 29.203 8.038 1.00 35.93 ? 224 LYS H CE 1 ATOM 2068 N NZ . LYS B 2 236 ? 8.383 29.802 6.635 1.00 36.56 ? 224 LYS H NZ 1 ATOM 2069 N N . TYR B 2 237 ? 3.631 27.261 9.523 1.00 25.62 ? 225 TYR H N 1 ATOM 2070 C CA . TYR B 2 237 ? 2.632 26.195 9.634 1.00 24.74 ? 225 TYR H CA 1 ATOM 2071 C C . TYR B 2 237 ? 3.244 24.840 9.304 1.00 22.92 ? 225 TYR H C 1 ATOM 2072 O O . TYR B 2 237 ? 4.138 24.735 8.455 1.00 24.36 ? 225 TYR H O 1 ATOM 2073 C CB . TYR B 2 237 ? 1.476 26.468 8.652 1.00 25.61 ? 225 TYR H CB 1 ATOM 2074 C CG . TYR B 2 237 ? 0.782 27.786 8.884 1.00 27.76 ? 225 TYR H CG 1 ATOM 2075 C CD1 . TYR B 2 237 ? -0.205 27.907 9.880 1.00 28.24 ? 225 TYR H CD1 1 ATOM 2076 C CD2 . TYR B 2 237 ? 1.209 28.941 8.234 1.00 29.10 ? 225 TYR H CD2 1 ATOM 2077 C CE1 . TYR B 2 237 ? -0.737 29.147 10.243 1.00 27.07 ? 225 TYR H CE1 1 ATOM 2078 C CE2 . TYR B 2 237 ? 0.687 30.204 8.578 1.00 29.65 ? 225 TYR H CE2 1 ATOM 2079 C CZ . TYR B 2 237 ? -0.286 30.298 9.589 1.00 29.31 ? 225 TYR H CZ 1 ATOM 2080 O OH . TYR B 2 237 ? -0.821 31.535 9.945 1.00 31.97 ? 225 TYR H OH 1 ATOM 2081 N N . GLY B 2 238 ? 2.773 23.799 9.957 1.00 22.25 ? 226 GLY H N 1 ATOM 2082 C CA . GLY B 2 238 ? 3.279 22.466 9.624 1.00 22.70 ? 226 GLY H CA 1 ATOM 2083 C C . GLY B 2 238 ? 2.660 22.018 8.292 1.00 22.84 ? 226 GLY H C 1 ATOM 2084 O O . GLY B 2 238 ? 1.510 22.416 8.014 1.00 23.14 ? 226 GLY H O 1 ATOM 2085 N N . PHE B 2 239 ? 3.424 21.310 7.440 1.00 22.50 ? 227 PHE H N 1 ATOM 2086 C CA . PHE B 2 239 ? 2.889 20.761 6.153 1.00 21.78 ? 227 PHE H CA 1 ATOM 2087 C C . PHE B 2 239 ? 2.683 19.231 6.175 1.00 21.57 ? 227 PHE H C 1 ATOM 2088 O O . PHE B 2 239 ? 3.431 18.486 6.790 1.00 21.24 ? 227 PHE H O 1 ATOM 2089 C CB . PHE B 2 239 ? 3.744 21.155 4.958 1.00 21.78 ? 227 PHE H CB 1 ATOM 2090 C CG . PHE B 2 239 ? 3.551 22.594 4.556 1.00 24.46 ? 227 PHE H CG 1 ATOM 2091 C CD1 . PHE B 2 239 ? 3.982 23.620 5.395 1.00 25.07 ? 227 PHE H CD1 1 ATOM 2092 C CD2 . PHE B 2 239 ? 2.853 22.916 3.403 1.00 24.33 ? 227 PHE H CD2 1 ATOM 2093 C CE1 . PHE B 2 239 ? 3.693 24.958 5.083 1.00 26.40 ? 227 PHE H CE1 1 ATOM 2094 C CE2 . PHE B 2 239 ? 2.559 24.258 3.067 1.00 25.04 ? 227 PHE H CE2 1 ATOM 2095 C CZ . PHE B 2 239 ? 2.971 25.273 3.903 1.00 25.83 ? 227 PHE H CZ 1 ATOM 2096 N N . TYR B 2 240 ? 1.648 18.791 5.485 1.00 19.46 ? 228 TYR H N 1 ATOM 2097 C CA . TYR B 2 240 ? 1.244 17.409 5.511 1.00 19.95 ? 228 TYR H CA 1 ATOM 2098 C C . TYR B 2 240 ? 0.921 16.865 4.115 1.00 20.07 ? 228 TYR H C 1 ATOM 2099 O O . TYR B 2 240 ? 0.321 17.559 3.307 1.00 20.05 ? 228 TYR H O 1 ATOM 2100 C CB . TYR B 2 240 ? -0.038 17.249 6.379 1.00 18.51 ? 228 TYR H CB 1 ATOM 2101 C CG . TYR B 2 240 ? 0.097 17.740 7.824 1.00 19.36 ? 228 TYR H CG 1 ATOM 2102 C CD1 . TYR B 2 240 ? 0.160 19.136 8.138 1.00 18.54 ? 228 TYR H CD1 1 ATOM 2103 C CD2 . TYR B 2 240 ? 0.313 16.830 8.850 1.00 18.05 ? 228 TYR H CD2 1 ATOM 2104 C CE1 . TYR B 2 240 ? 0.445 19.579 9.443 1.00 19.98 ? 228 TYR H CE1 1 ATOM 2105 C CE2 . TYR B 2 240 ? 0.607 17.259 10.151 1.00 20.25 ? 228 TYR H CE2 1 ATOM 2106 C CZ . TYR B 2 240 ? 0.669 18.644 10.437 1.00 21.63 ? 228 TYR H CZ 1 ATOM 2107 O OH . TYR B 2 240 ? 0.960 18.995 11.736 1.00 24.30 ? 228 TYR H OH 1 ATOM 2108 N N . THR B 2 241 ? 1.313 15.618 3.848 1.00 21.29 ? 229 THR H N 1 ATOM 2109 C CA . THR B 2 241 ? 0.954 14.996 2.576 1.00 21.53 ? 229 THR H CA 1 ATOM 2110 C C . THR B 2 241 ? -0.571 14.811 2.533 1.00 21.06 ? 229 THR H C 1 ATOM 2111 O O . THR B 2 241 ? -1.158 14.375 3.514 1.00 20.81 ? 229 THR H O 1 ATOM 2112 C CB . THR B 2 241 ? 1.559 13.641 2.438 1.00 21.89 ? 229 THR H CB 1 ATOM 2113 O OG1 . THR B 2 241 ? 2.978 13.724 2.671 1.00 24.10 ? 229 THR H OG1 1 ATOM 2114 C CG2 . THR B 2 241 ? 1.283 13.127 1.023 1.00 20.90 ? 229 THR H CG2 1 ATOM 2115 N N . HIS B 2 242 ? -1.181 15.139 1.394 1.00 21.34 ? 230 HIS H N 1 ATOM 2116 C CA . HIS B 2 242 ? -2.644 15.065 1.184 1.00 21.99 ? 230 HIS H CA 1 ATOM 2117 C C . HIS B 2 242 ? -3.015 13.611 0.806 1.00 22.97 ? 230 HIS H C 1 ATOM 2118 O O . HIS B 2 242 ? -2.990 13.258 -0.379 1.00 22.53 ? 230 HIS H O 1 ATOM 2119 C CB . HIS B 2 242 ? -3.010 16.013 0.020 1.00 22.78 ? 230 HIS H CB 1 ATOM 2120 C CG . HIS B 2 242 ? -4.461 16.407 -0.048 1.00 24.60 ? 230 HIS H CG 1 ATOM 2121 N ND1 . HIS B 2 242 ? -5.491 15.480 -0.119 1.00 24.54 ? 230 HIS H ND1 1 ATOM 2122 C CD2 . HIS B 2 242 ? -5.050 17.635 -0.118 1.00 25.59 ? 230 HIS H CD2 1 ATOM 2123 C CE1 . HIS B 2 242 ? -6.645 16.120 -0.234 1.00 26.22 ? 230 HIS H CE1 1 ATOM 2124 N NE2 . HIS B 2 242 ? -6.410 17.429 -0.240 1.00 24.03 ? 230 HIS H NE2 1 ATOM 2125 N N . VAL B 2 243 ? -3.407 12.811 1.792 1.00 22.32 ? 231 VAL H N 1 ATOM 2126 C CA . VAL B 2 243 ? -3.726 11.422 1.521 1.00 23.14 ? 231 VAL H CA 1 ATOM 2127 C C . VAL B 2 243 ? -4.767 11.218 0.407 1.00 23.95 ? 231 VAL H C 1 ATOM 2128 O O . VAL B 2 243 ? -4.469 10.506 -0.574 1.00 23.89 ? 231 VAL H O 1 ATOM 2129 C CB . VAL B 2 243 ? -4.177 10.697 2.803 1.00 22.64 ? 231 VAL H CB 1 ATOM 2130 C CG1 . VAL B 2 243 ? -4.567 9.217 2.491 1.00 21.25 ? 231 VAL H CG1 1 ATOM 2131 C CG2 . VAL B 2 243 ? -3.005 10.726 3.841 1.00 22.78 ? 231 VAL H CG2 1 ATOM 2132 N N . PHE B 2 244 ? -5.955 11.832 0.527 1.00 23.60 ? 232 PHE H N 1 ATOM 2133 C CA . PHE B 2 244 ? -6.975 11.604 -0.518 1.00 24.80 ? 232 PHE H CA 1 ATOM 2134 C C . PHE B 2 244 ? -6.432 11.888 -1.924 1.00 25.49 ? 232 PHE H C 1 ATOM 2135 O O . PHE B 2 244 ? -6.621 11.051 -2.838 1.00 24.21 ? 232 PHE H O 1 ATOM 2136 C CB . PHE B 2 244 ? -8.279 12.391 -0.288 1.00 23.41 ? 232 PHE H CB 1 ATOM 2137 C CG . PHE B 2 244 ? -9.336 12.111 -1.348 1.00 26.53 ? 232 PHE H CG 1 ATOM 2138 C CD1 . PHE B 2 244 ? -9.873 10.820 -1.488 1.00 27.12 ? 232 PHE H CD1 1 ATOM 2139 C CD2 . PHE B 2 244 ? -9.719 13.118 -2.276 1.00 26.24 ? 232 PHE H CD2 1 ATOM 2140 C CE1 . PHE B 2 244 ? -10.764 10.520 -2.539 1.00 28.34 ? 232 PHE H CE1 1 ATOM 2141 C CE2 . PHE B 2 244 ? -10.599 12.819 -3.312 1.00 28.03 ? 232 PHE H CE2 1 ATOM 2142 C CZ . PHE B 2 244 ? -11.120 11.518 -3.450 1.00 27.50 ? 232 PHE H CZ 1 ATOM 2143 N N . ARG B 2 245 ? -5.746 13.025 -2.103 1.00 24.85 ? 233 ARG H N 1 ATOM 2144 C CA . ARG B 2 245 ? -5.171 13.344 -3.418 1.00 26.85 ? 233 ARG H CA 1 ATOM 2145 C C . ARG B 2 245 ? -4.301 12.233 -4.042 1.00 25.62 ? 233 ARG H C 1 ATOM 2146 O O . ARG B 2 245 ? -4.163 12.147 -5.283 1.00 26.02 ? 233 ARG H O 1 ATOM 2147 C CB . ARG B 2 245 ? -4.323 14.603 -3.356 1.00 31.34 ? 233 ARG H CB 1 ATOM 2148 C CG . ARG B 2 245 ? -5.081 15.860 -3.264 1.00 37.97 ? 233 ARG H CG 1 ATOM 2149 C CD . ARG B 2 245 ? -4.874 16.644 -4.520 1.00 42.22 ? 233 ARG H CD 1 ATOM 2150 N NE . ARG B 2 245 ? -6.035 16.519 -5.382 1.00 45.78 ? 233 ARG H NE 1 ATOM 2151 C CZ . ARG B 2 245 ? -6.060 16.928 -6.653 1.00 48.48 ? 233 ARG H CZ 1 ATOM 2152 N NH1 . ARG B 2 245 ? -4.961 17.495 -7.190 1.00 45.92 ? 233 ARG H NH1 1 ATOM 2153 N NH2 . ARG B 2 245 ? -7.178 16.743 -7.383 1.00 48.20 ? 233 ARG H NH2 1 ATOM 2154 N N . LEU B 2 246 ? -3.715 11.389 -3.199 1.00 23.03 ? 234 LEU H N 1 ATOM 2155 C CA . LEU B 2 246 ? -2.873 10.307 -3.680 1.00 23.22 ? 234 LEU H CA 1 ATOM 2156 C C . LEU B 2 246 ? -3.501 8.921 -3.464 1.00 23.12 ? 234 LEU H C 1 ATOM 2157 O O . LEU B 2 246 ? -2.802 7.902 -3.516 1.00 23.87 ? 234 LEU H O 1 ATOM 2158 C CB . LEU B 2 246 ? -1.527 10.368 -2.948 1.00 21.41 ? 234 LEU H CB 1 ATOM 2159 C CG . LEU B 2 246 ? -0.912 11.764 -3.136 1.00 25.66 ? 234 LEU H CG 1 ATOM 2160 C CD1 . LEU B 2 246 ? 0.363 11.927 -2.278 1.00 25.90 ? 234 LEU H CD1 1 ATOM 2161 C CD2 . LEU B 2 246 ? -0.604 11.957 -4.623 1.00 28.06 ? 234 LEU H CD2 1 ATOM 2162 N N . LYS B 2 247 ? -4.795 8.896 -3.205 1.00 24.48 ? 235 LYS H N 1 ATOM 2163 C CA . LYS B 2 247 ? -5.513 7.649 -2.912 1.00 26.71 ? 235 LYS H CA 1 ATOM 2164 C C . LYS B 2 247 ? -5.504 6.615 -4.081 1.00 25.60 ? 235 LYS H C 1 ATOM 2165 O O . LYS B 2 247 ? -5.396 5.419 -3.867 1.00 23.48 ? 235 LYS H O 1 ATOM 2166 C CB . LYS B 2 247 ? -6.950 8.015 -2.494 1.00 29.15 ? 235 LYS H CB 1 ATOM 2167 C CG . LYS B 2 247 ? -7.935 6.829 -2.241 1.00 34.53 ? 235 LYS H CG 1 ATOM 2168 C CD . LYS B 2 247 ? -7.760 6.215 -0.869 1.00 35.08 ? 235 LYS H CD 1 ATOM 2169 C CE . LYS B 2 247 ? -8.849 5.158 -0.552 1.00 37.12 ? 235 LYS H CE 1 ATOM 2170 N NZ . LYS B 2 247 ? -10.141 5.724 -0.009 1.00 38.52 ? 235 LYS H NZ 1 ATOM 2171 N N . LYS B 2 248 ? -5.580 7.088 -5.310 1.00 25.83 ? 236 LYS H N 1 ATOM 2172 C CA . LYS B 2 248 ? -5.577 6.147 -6.420 1.00 28.34 ? 236 LYS H CA 1 ATOM 2173 C C . LYS B 2 248 ? -4.261 5.350 -6.422 1.00 26.87 ? 236 LYS H C 1 ATOM 2174 O O . LYS B 2 248 ? -4.246 4.133 -6.621 1.00 24.17 ? 236 LYS H O 1 ATOM 2175 C CB . LYS B 2 248 ? -5.754 6.897 -7.749 1.00 29.07 ? 236 LYS H CB 1 ATOM 2176 C CG . LYS B 2 248 ? -7.125 7.487 -7.949 1.00 33.84 ? 236 LYS H CG 1 ATOM 2177 C CD . LYS B 2 248 ? -7.486 7.582 -9.464 1.00 36.90 ? 236 LYS H CD 1 ATOM 2178 C CE . LYS B 2 248 ? -8.568 8.667 -9.781 1.00 39.45 ? 236 LYS H CE 1 ATOM 2179 N NZ . LYS B 2 248 ? -9.939 8.191 -9.435 1.00 39.93 ? 236 LYS H NZ 1 ATOM 2180 N N . TRP B 2 249 ? -3.148 6.043 -6.173 1.00 26.41 ? 237 TRP H N 1 ATOM 2181 C CA . TRP B 2 249 ? -1.850 5.356 -6.151 1.00 25.72 ? 237 TRP H CA 1 ATOM 2182 C C . TRP B 2 249 ? -1.825 4.327 -4.998 1.00 26.59 ? 237 TRP H C 1 ATOM 2183 O O . TRP B 2 249 ? -1.352 3.186 -5.156 1.00 27.19 ? 237 TRP H O 1 ATOM 2184 C CB . TRP B 2 249 ? -0.711 6.359 -5.967 1.00 25.70 ? 237 TRP H CB 1 ATOM 2185 C CG . TRP B 2 249 ? 0.591 5.650 -5.747 1.00 26.22 ? 237 TRP H CG 1 ATOM 2186 C CD1 . TRP B 2 249 ? 1.344 5.057 -6.702 1.00 26.06 ? 237 TRP H CD1 1 ATOM 2187 C CD2 . TRP B 2 249 ? 1.257 5.383 -4.494 1.00 26.43 ? 237 TRP H CD2 1 ATOM 2188 N NE1 . TRP B 2 249 ? 2.430 4.437 -6.136 1.00 25.86 ? 237 TRP H NE1 1 ATOM 2189 C CE2 . TRP B 2 249 ? 2.412 4.623 -4.789 1.00 25.34 ? 237 TRP H CE2 1 ATOM 2190 C CE3 . TRP B 2 249 ? 0.992 5.710 -3.159 1.00 24.46 ? 237 TRP H CE3 1 ATOM 2191 C CZ2 . TRP B 2 249 ? 3.329 4.182 -3.791 1.00 25.95 ? 237 TRP H CZ2 1 ATOM 2192 C CZ3 . TRP B 2 249 ? 1.898 5.282 -2.165 1.00 23.68 ? 237 TRP H CZ3 1 ATOM 2193 C CH2 . TRP B 2 249 ? 3.057 4.523 -2.498 1.00 26.12 ? 237 TRP H CH2 1 ATOM 2194 N N . ILE B 2 250 ? -2.328 4.732 -3.831 1.00 25.10 ? 238 ILE H N 1 ATOM 2195 C CA . ILE B 2 250 ? -2.379 3.837 -2.679 1.00 26.13 ? 238 ILE H CA 1 ATOM 2196 C C . ILE B 2 250 ? -3.167 2.528 -3.009 1.00 26.54 ? 238 ILE H C 1 ATOM 2197 O O . ILE B 2 250 ? -2.682 1.383 -2.832 1.00 26.01 ? 238 ILE H O 1 ATOM 2198 C CB . ILE B 2 250 ? -3.058 4.578 -1.456 1.00 23.94 ? 238 ILE H CB 1 ATOM 2199 C CG1 . ILE B 2 250 ? -2.160 5.777 -1.031 1.00 25.41 ? 238 ILE H CG1 1 ATOM 2200 C CG2 . ILE B 2 250 ? -3.228 3.620 -0.292 1.00 22.09 ? 238 ILE H CG2 1 ATOM 2201 C CD1 . ILE B 2 250 ? -2.668 6.529 0.167 1.00 23.10 ? 238 ILE H CD1 1 ATOM 2202 N N . GLN B 2 251 ? -4.370 2.731 -3.522 1.00 27.68 ? 239 GLN H N 1 ATOM 2203 C CA . GLN B 2 251 ? -5.245 1.611 -3.837 1.00 29.73 ? 239 GLN H CA 1 ATOM 2204 C C . GLN B 2 251 ? -4.673 0.663 -4.879 1.00 29.77 ? 239 GLN H C 1 ATOM 2205 O O . GLN B 2 251 ? -4.844 -0.522 -4.779 1.00 30.03 ? 239 GLN H O 1 ATOM 2206 C CB . GLN B 2 251 ? -6.594 2.131 -4.313 1.00 31.42 ? 239 GLN H CB 1 ATOM 2207 C CG . GLN B 2 251 ? -7.633 1.011 -4.278 1.00 37.92 ? 239 GLN H CG 1 ATOM 2208 C CD . GLN B 2 251 ? -7.817 0.481 -2.850 1.00 41.87 ? 239 GLN H CD 1 ATOM 2209 O OE1 . GLN B 2 251 ? -7.613 -0.717 -2.571 1.00 45.08 ? 239 GLN H OE1 1 ATOM 2210 N NE2 . GLN B 2 251 ? -8.187 1.381 -1.937 1.00 42.40 ? 239 GLN H NE2 1 ATOM 2211 N N . LYS B 2 252 ? -4.020 1.199 -5.901 1.00 31.38 ? 240 LYS H N 1 ATOM 2212 C CA . LYS B 2 252 ? -3.440 0.368 -6.945 1.00 33.03 ? 240 LYS H CA 1 ATOM 2213 C C . LYS B 2 252 ? -2.290 -0.512 -6.395 1.00 32.27 ? 240 LYS H C 1 ATOM 2214 O O . LYS B 2 252 ? -2.117 -1.677 -6.796 1.00 31.07 ? 240 LYS H O 1 ATOM 2215 C CB . LYS B 2 252 ? -2.960 1.279 -8.108 1.00 35.27 ? 240 LYS H CB 1 ATOM 2216 C CG . LYS B 2 252 ? -2.358 0.561 -9.333 1.00 40.56 ? 240 LYS H CG 1 ATOM 2217 C CD . LYS B 2 252 ? -3.423 -0.177 -10.199 1.00 45.76 ? 240 LYS H CD 1 ATOM 2218 C CE . LYS B 2 252 ? -4.177 0.772 -11.221 1.00 48.22 ? 240 LYS H CE 1 ATOM 2219 N NZ . LYS B 2 252 ? -4.776 2.060 -10.631 1.00 50.72 ? 240 LYS H NZ 1 ATOM 2220 N N . VAL B 2 253 ? -1.498 0.036 -5.484 1.00 30.51 ? 241 VAL H N 1 ATOM 2221 C CA . VAL B 2 253 ? -0.386 -0.723 -4.917 1.00 30.73 ? 241 VAL H CA 1 ATOM 2222 C C . VAL B 2 253 ? -0.904 -1.911 -4.096 1.00 31.41 ? 241 VAL H C 1 ATOM 2223 O O . VAL B 2 253 ? -0.445 -3.044 -4.275 1.00 30.66 ? 241 VAL H O 1 ATOM 2224 C CB . VAL B 2 253 ? 0.517 0.175 -3.983 1.00 30.13 ? 241 VAL H CB 1 ATOM 2225 C CG1 . VAL B 2 253 ? 1.511 -0.712 -3.178 1.00 28.85 ? 241 VAL H CG1 1 ATOM 2226 C CG2 . VAL B 2 253 ? 1.269 1.186 -4.816 1.00 29.20 ? 241 VAL H CG2 1 ATOM 2227 N N . ILE B 2 254 ? -1.877 -1.621 -3.223 1.00 30.90 ? 242 ILE H N 1 ATOM 2228 C CA . ILE B 2 254 ? -2.500 -2.605 -2.316 1.00 29.93 ? 242 ILE H CA 1 ATOM 2229 C C . ILE B 2 254 ? -3.158 -3.707 -3.141 1.00 32.03 ? 242 ILE H C 1 ATOM 2230 O O . ILE B 2 254 ? -2.997 -4.904 -2.860 1.00 31.04 ? 242 ILE H O 1 ATOM 2231 C CB . ILE B 2 254 ? -3.594 -1.890 -1.391 1.00 28.85 ? 242 ILE H CB 1 ATOM 2232 C CG1 . ILE B 2 254 ? -2.914 -1.042 -0.286 1.00 27.55 ? 242 ILE H CG1 1 ATOM 2233 C CG2 . ILE B 2 254 ? -4.535 -2.911 -0.677 1.00 24.71 ? 242 ILE H CG2 1 ATOM 2234 C CD1 . ILE B 2 254 ? -3.962 -0.245 0.491 1.00 24.75 ? 242 ILE H CD1 1 ATOM 2235 N N . ASP B 2 255 ? -3.908 -3.264 -4.153 1.00 33.18 ? 243 ASP H N 1 ATOM 2236 C CA . ASP B 2 255 ? -4.650 -4.137 -5.060 1.00 36.21 ? 243 ASP H CA 1 ATOM 2237 C C . ASP B 2 255 ? -3.716 -5.066 -5.839 1.00 37.93 ? 243 ASP H C 1 ATOM 2238 O O . ASP B 2 255 ? -3.954 -6.282 -5.924 1.00 39.23 ? 243 ASP H O 1 ATOM 2239 C CB . ASP B 2 255 ? -5.470 -3.295 -6.046 1.00 36.13 ? 243 ASP H CB 1 ATOM 2240 C CG . ASP B 2 255 ? -6.767 -2.756 -5.428 1.00 36.97 ? 243 ASP H CG 1 ATOM 2241 O OD1 . ASP B 2 255 ? -7.109 -3.119 -4.283 1.00 34.49 ? 243 ASP H OD1 1 ATOM 2242 O OD2 . ASP B 2 255 ? -7.451 -1.960 -6.121 1.00 39.03 ? 243 ASP H OD2 1 ATOM 2243 N N . GLN B 2 256 ? -2.662 -4.497 -6.403 1.00 38.00 ? 244 GLN H N 1 ATOM 2244 C CA . GLN B 2 256 ? -1.701 -5.292 -7.145 1.00 41.18 ? 244 GLN H CA 1 ATOM 2245 C C . GLN B 2 256 ? -0.701 -6.110 -6.325 1.00 41.80 ? 244 GLN H C 1 ATOM 2246 O O . GLN B 2 256 ? -0.390 -7.243 -6.685 1.00 42.92 ? 244 GLN H O 1 ATOM 2247 C CB . GLN B 2 256 ? -0.927 -4.414 -8.121 1.00 42.54 ? 244 GLN H CB 1 ATOM 2248 C CG . GLN B 2 256 ? 0.282 -5.107 -8.691 1.00 47.22 ? 244 GLN H CG 1 ATOM 2249 C CD . GLN B 2 256 ? 0.896 -4.344 -9.856 1.00 49.48 ? 244 GLN H CD 1 ATOM 2250 O OE1 . GLN B 2 256 ? 1.934 -4.745 -10.385 1.00 51.36 ? 244 GLN H OE1 1 ATOM 2251 N NE2 . GLN B 2 256 ? 0.252 -3.234 -10.265 1.00 50.82 ? 244 GLN H NE2 1 ATOM 2252 N N . PHE B 2 257 ? -0.191 -5.575 -5.226 1.00 41.61 ? 245 PHE H N 1 ATOM 2253 C CA . PHE B 2 257 ? 0.793 -6.341 -4.462 1.00 41.72 ? 245 PHE H CA 1 ATOM 2254 C C . PHE B 2 257 ? 0.296 -6.861 -3.130 1.00 40.80 ? 245 PHE H C 1 ATOM 2255 O O . PHE B 2 257 ? 1.069 -7.391 -2.339 1.00 40.66 ? 245 PHE H O 1 ATOM 2256 C CB . PHE B 2 257 ? 2.056 -5.496 -4.257 1.00 43.54 ? 245 PHE H CB 1 ATOM 2257 C CG . PHE B 2 257 ? 2.668 -5.024 -5.554 1.00 45.98 ? 245 PHE H CG 1 ATOM 2258 C CD1 . PHE B 2 257 ? 3.190 -5.940 -6.463 1.00 46.25 ? 245 PHE H CD1 1 ATOM 2259 C CD2 . PHE B 2 257 ? 2.680 -3.678 -5.887 1.00 47.30 ? 245 PHE H CD2 1 ATOM 2260 C CE1 . PHE B 2 257 ? 3.714 -5.524 -7.689 1.00 47.42 ? 245 PHE H CE1 1 ATOM 2261 C CE2 . PHE B 2 257 ? 3.202 -3.238 -7.113 1.00 48.37 ? 245 PHE H CE2 1 ATOM 2262 C CZ . PHE B 2 257 ? 3.723 -4.166 -8.021 1.00 48.03 ? 245 PHE H CZ 1 ATOM 2263 N N . GLY B 2 258 ? -0.993 -6.720 -2.883 1.00 40.04 ? 246 GLY H N 1 ATOM 2264 C CA . GLY B 2 258 ? -1.526 -7.174 -1.614 1.00 40.51 ? 246 GLY H CA 1 ATOM 2265 C C . GLY B 2 258 ? -1.823 -8.670 -1.555 1.00 39.77 ? 246 GLY H C 1 ATOM 2266 O O . GLY B 2 258 ? -1.574 -9.278 -0.516 1.00 40.83 ? 246 GLY H O 1 ATOM 2267 O "O5'" . DG C 3 1 ? -0.696 -12.020 37.575 1.00 28.42 ? 1 DG D "O5'" 1 ATOM 2268 C "C5'" . DG C 3 1 ? -1.485 -11.709 38.777 1.00 28.58 ? 1 DG D "C5'" 1 ATOM 2269 C "C4'" . DG C 3 1 ? -1.932 -10.268 38.940 1.00 27.31 ? 1 DG D "C4'" 1 ATOM 2270 O "O4'" . DG C 3 1 ? -0.806 -9.382 39.179 1.00 22.33 ? 1 DG D "O4'" 1 ATOM 2271 C "C3'" . DG C 3 1 ? -2.614 -9.722 37.688 1.00 28.76 ? 1 DG D "C3'" 1 ATOM 2272 O "O3'" . DG C 3 1 ? -3.618 -8.761 38.086 1.00 30.52 ? 1 DG D "O3'" 1 ATOM 2273 C "C2'" . DG C 3 1 ? -1.480 -9.023 36.948 1.00 24.50 ? 1 DG D "C2'" 1 ATOM 2274 C "C1'" . DG C 3 1 ? -0.691 -8.445 38.110 1.00 24.40 ? 1 DG D "C1'" 1 ATOM 2275 N N9 . DG C 3 1 ? 0.722 -8.222 37.814 1.00 24.82 ? 1 DG D N9 1 ATOM 2276 C C8 . DG C 3 1 ? 1.379 -7.005 37.883 1.00 26.24 ? 1 DG D C8 1 ATOM 2277 N N7 . DG C 3 1 ? 2.653 -7.092 37.570 1.00 27.31 ? 1 DG D N7 1 ATOM 2278 C C5 . DG C 3 1 ? 2.855 -8.444 37.284 1.00 25.70 ? 1 DG D C5 1 ATOM 2279 C C6 . DG C 3 1 ? 4.061 -9.151 36.914 1.00 25.34 ? 1 DG D C6 1 ATOM 2280 O O6 . DG C 3 1 ? 5.192 -8.706 36.821 1.00 25.20 ? 1 DG D O6 1 ATOM 2281 N N1 . DG C 3 1 ? 3.828 -10.500 36.672 1.00 24.60 ? 1 DG D N1 1 ATOM 2282 C C2 . DG C 3 1 ? 2.601 -11.117 36.788 1.00 25.67 ? 1 DG D C2 1 ATOM 2283 N N2 . DG C 3 1 ? 2.573 -12.454 36.479 1.00 25.06 ? 1 DG D N2 1 ATOM 2284 N N3 . DG C 3 1 ? 1.475 -10.478 37.165 1.00 26.09 ? 1 DG D N3 1 ATOM 2285 C C4 . DG C 3 1 ? 1.675 -9.156 37.398 1.00 24.08 ? 1 DG D C4 1 ATOM 2286 P P . DG C 3 2 ? -4.686 -8.243 37.018 1.00 29.94 ? 2 DG D P 1 ATOM 2287 O OP1 . DG C 3 2 ? -5.809 -7.595 37.780 1.00 32.02 ? 2 DG D OP1 1 ATOM 2288 O OP2 . DG C 3 2 ? -4.997 -9.314 35.997 1.00 32.34 ? 2 DG D OP2 1 ATOM 2289 O "O5'" . DG C 3 2 ? -3.913 -7.060 36.323 1.00 28.51 ? 2 DG D "O5'" 1 ATOM 2290 C "C5'" . DG C 3 2 ? -3.442 -5.975 37.129 1.00 28.29 ? 2 DG D "C5'" 1 ATOM 2291 C "C4'" . DG C 3 2 ? -2.583 -5.053 36.304 1.00 29.72 ? 2 DG D "C4'" 1 ATOM 2292 O "O4'" . DG C 3 2 ? -1.220 -5.568 36.130 1.00 28.49 ? 2 DG D "O4'" 1 ATOM 2293 C "C3'" . DG C 3 2 ? -3.140 -4.822 34.895 1.00 31.49 ? 2 DG D "C3'" 1 ATOM 2294 O "O3'" . DG C 3 2 ? -3.456 -3.436 34.687 1.00 34.21 ? 2 DG D "O3'" 1 ATOM 2295 C "C2'" . DG C 3 2 ? -2.030 -5.325 33.973 1.00 29.12 ? 2 DG D "C2'" 1 ATOM 2296 C "C1'" . DG C 3 2 ? -0.766 -5.231 34.846 1.00 28.69 ? 2 DG D "C1'" 1 ATOM 2297 N N9 . DG C 3 2 ? 0.317 -6.156 34.495 1.00 27.15 ? 2 DG D N9 1 ATOM 2298 C C8 . DG C 3 2 ? 0.176 -7.464 34.089 1.00 26.48 ? 2 DG D C8 1 ATOM 2299 N N7 . DG C 3 2 ? 1.328 -8.067 33.869 1.00 26.37 ? 2 DG D N7 1 ATOM 2300 C C5 . DG C 3 2 ? 2.279 -7.106 34.136 1.00 25.19 ? 2 DG D C5 1 ATOM 2301 C C6 . DG C 3 2 ? 3.717 -7.190 34.085 1.00 25.75 ? 2 DG D C6 1 ATOM 2302 O O6 . DG C 3 2 ? 4.435 -8.191 33.787 1.00 24.74 ? 2 DG D O6 1 ATOM 2303 N N1 . DG C 3 2 ? 4.307 -5.970 34.411 1.00 24.01 ? 2 DG D N1 1 ATOM 2304 C C2 . DG C 3 2 ? 3.614 -4.815 34.721 1.00 26.39 ? 2 DG D C2 1 ATOM 2305 N N2 . DG C 3 2 ? 4.366 -3.719 34.905 1.00 26.95 ? 2 DG D N2 1 ATOM 2306 N N3 . DG C 3 2 ? 2.276 -4.731 34.813 1.00 26.74 ? 2 DG D N3 1 ATOM 2307 C C4 . DG C 3 2 ? 1.677 -5.904 34.503 1.00 26.82 ? 2 DG D C4 1 ATOM 2308 P P . DT C 3 3 ? -4.845 -2.998 33.974 1.00 38.94 ? 3 DT D P 1 ATOM 2309 O OP1 . DT C 3 3 ? -4.917 -1.513 34.072 1.00 37.92 ? 3 DT D OP1 1 ATOM 2310 O OP2 . DT C 3 3 ? -5.976 -3.829 34.446 1.00 36.54 ? 3 DT D OP2 1 ATOM 2311 O "O5'" . DT C 3 3 ? -4.688 -3.424 32.457 1.00 37.27 ? 3 DT D "O5'" 1 ATOM 2312 C "C5'" . DT C 3 3 ? -5.814 -3.435 31.586 1.00 38.40 ? 3 DT D "C5'" 1 ATOM 2313 C "C4'" . DT C 3 3 ? -5.364 -3.906 30.231 1.00 37.63 ? 3 DT D "C4'" 1 ATOM 2314 O "O4'" . DT C 3 3 ? -4.548 -2.854 29.635 1.00 39.43 ? 3 DT D "O4'" 1 ATOM 2315 C "C3'" . DT C 3 3 ? -4.410 -5.074 30.474 1.00 38.62 ? 3 DT D "C3'" 1 ATOM 2316 O "O3'" . DT C 3 3 ? -4.637 -6.211 29.711 1.00 38.56 ? 3 DT D "O3'" 1 ATOM 2317 C "C2'" . DT C 3 3 ? -3.037 -4.542 30.167 1.00 39.57 ? 3 DT D "C2'" 1 ATOM 2318 C "C1'" . DT C 3 3 ? -3.361 -3.470 29.181 1.00 39.00 ? 3 DT D "C1'" 1 ATOM 2319 N N1 . DT C 3 3 ? -2.415 -2.418 29.008 1.00 40.45 ? 3 DT D N1 1 ATOM 2320 C C2 . DT C 3 3 ? -1.971 -2.357 27.706 1.00 42.67 ? 3 DT D C2 1 ATOM 2321 O O2 . DT C 3 3 ? -2.461 -3.018 26.800 1.00 49.25 ? 3 DT D O2 1 ATOM 2322 N N3 . DT C 3 3 ? -0.929 -1.501 27.495 1.00 39.33 ? 3 DT D N3 1 ATOM 2323 C C4 . DT C 3 3 ? -0.300 -0.706 28.420 1.00 34.69 ? 3 DT D C4 1 ATOM 2324 O O4 . DT C 3 3 ? 0.619 0.013 28.058 1.00 10.35 ? 3 DT D O4 1 ATOM 2325 C C5 . DT C 3 3 ? -0.822 -0.808 29.778 1.00 34.77 ? 3 DT D C5 1 ATOM 2326 C C7 . DT C 3 3 ? -0.199 0.012 30.863 1.00 33.20 ? 3 DT D C7 1 ATOM 2327 C C6 . DT C 3 3 ? -1.846 -1.646 29.997 1.00 38.40 ? 3 DT D C6 1 ATOM 2328 P P . DT C 3 4 ? -4.200 -7.583 30.428 1.00 42.94 ? 4 DT D P 1 ATOM 2329 O OP1 . DT C 3 4 ? -5.179 -8.614 29.989 1.00 45.31 ? 4 DT D OP1 1 ATOM 2330 O OP2 . DT C 3 4 ? -3.939 -7.349 31.880 1.00 43.98 ? 4 DT D OP2 1 ATOM 2331 O "O5'" . DT C 3 4 ? -2.766 -7.938 29.814 1.00 41.59 ? 4 DT D "O5'" 1 ATOM 2332 C "C5'" . DT C 3 4 ? -2.655 -8.516 28.541 1.00 38.66 ? 4 DT D "C5'" 1 ATOM 2333 C "C4'" . DT C 3 4 ? -1.539 -9.534 28.521 1.00 37.44 ? 4 DT D "C4'" 1 ATOM 2334 O "O4'" . DT C 3 4 ? -0.253 -8.885 28.541 1.00 35.64 ? 4 DT D "O4'" 1 ATOM 2335 C "C3'" . DT C 3 4 ? -1.495 -10.591 29.625 1.00 38.48 ? 4 DT D "C3'" 1 ATOM 2336 O "O3'" . DT C 3 4 ? -0.980 -11.775 29.010 1.00 41.14 ? 4 DT D "O3'" 1 ATOM 2337 C "C2'" . DT C 3 4 ? -0.452 -10.037 30.587 1.00 35.44 ? 4 DT D "C2'" 1 ATOM 2338 C "C1'" . DT C 3 4 ? 0.523 -9.408 29.612 1.00 33.64 ? 4 DT D "C1'" 1 ATOM 2339 N N1 . DT C 3 4 ? 1.337 -8.312 30.131 1.00 31.73 ? 4 DT D N1 1 ATOM 2340 C C2 . DT C 3 4 ? 2.668 -8.564 30.326 1.00 28.85 ? 4 DT D C2 1 ATOM 2341 O O2 . DT C 3 4 ? 3.178 -9.674 30.163 1.00 30.86 ? 4 DT D O2 1 ATOM 2342 N N3 . DT C 3 4 ? 3.382 -7.492 30.729 1.00 27.09 ? 4 DT D N3 1 ATOM 2343 C C4 . DT C 3 4 ? 2.915 -6.223 30.987 1.00 27.62 ? 4 DT D C4 1 ATOM 2344 O O4 . DT C 3 4 ? 3.702 -5.340 31.317 1.00 27.60 ? 4 DT D O4 1 ATOM 2345 C C5 . DT C 3 4 ? 1.499 -6.037 30.828 1.00 27.78 ? 4 DT D C5 1 ATOM 2346 C C7 . DT C 3 4 ? 0.904 -4.701 31.168 1.00 28.37 ? 4 DT D C7 1 ATOM 2347 C C6 . DT C 3 4 ? 0.783 -7.072 30.394 1.00 28.92 ? 4 DT D C6 1 ATOM 2348 P P . DG C 3 5 ? -1.230 -13.217 29.673 1.00 47.38 ? 5 DG D P 1 ATOM 2349 O OP1 . DG C 3 5 ? -1.176 -14.236 28.585 1.00 43.42 ? 5 DG D OP1 1 ATOM 2350 O OP2 . DG C 3 5 ? -2.399 -13.176 30.636 1.00 44.14 ? 5 DG D OP2 1 ATOM 2351 O "O5'" . DG C 3 5 ? 0.088 -13.489 30.516 1.00 42.49 ? 5 DG D "O5'" 1 ATOM 2352 C "C5'" . DG C 3 5 ? 0.081 -14.456 31.550 1.00 42.51 ? 5 DG D "C5'" 1 ATOM 2353 C "C4'" . DG C 3 5 ? 0.954 -15.630 31.169 1.00 41.20 ? 5 DG D "C4'" 1 ATOM 2354 O "O4'" . DG C 3 5 ? 2.259 -15.156 30.762 1.00 38.23 ? 5 DG D "O4'" 1 ATOM 2355 C "C3'" . DG C 3 5 ? 1.189 -16.575 32.345 1.00 41.65 ? 5 DG D "C3'" 1 ATOM 2356 O "O3'" . DG C 3 5 ? 1.305 -17.939 31.868 1.00 44.22 ? 5 DG D "O3'" 1 ATOM 2357 C "C2'" . DG C 3 5 ? 2.470 -16.043 32.960 1.00 39.58 ? 5 DG D "C2'" 1 ATOM 2358 C "C1'" . DG C 3 5 ? 3.232 -15.565 31.726 1.00 37.99 ? 5 DG D "C1'" 1 ATOM 2359 N N9 . DG C 3 5 ? 4.182 -14.463 31.919 1.00 34.70 ? 5 DG D N9 1 ATOM 2360 C C8 . DG C 3 5 ? 5.525 -14.486 31.610 1.00 31.71 ? 5 DG D C8 1 ATOM 2361 N N7 . DG C 3 5 ? 6.123 -13.342 31.818 1.00 32.80 ? 5 DG D N7 1 ATOM 2362 C C5 . DG C 3 5 ? 5.127 -12.514 32.309 1.00 30.05 ? 5 DG D C5 1 ATOM 2363 C C6 . DG C 3 5 ? 5.196 -11.191 32.691 1.00 28.59 ? 5 DG D C6 1 ATOM 2364 O O6 . DG C 3 5 ? 6.173 -10.463 32.678 1.00 27.57 ? 5 DG D O6 1 ATOM 2365 N N1 . DG C 3 5 ? 3.959 -10.705 33.137 1.00 27.56 ? 5 DG D N1 1 ATOM 2366 C C2 . DG C 3 5 ? 2.798 -11.439 33.178 1.00 30.53 ? 5 DG D C2 1 ATOM 2367 N N2 . DG C 3 5 ? 1.672 -10.768 33.593 1.00 27.36 ? 5 DG D N2 1 ATOM 2368 N N3 . DG C 3 5 ? 2.729 -12.732 32.825 1.00 30.32 ? 5 DG D N3 1 ATOM 2369 C C4 . DG C 3 5 ? 3.922 -13.193 32.405 1.00 31.78 ? 5 DG D C4 1 ATOM 2370 P P . DG C 3 6 ? 1.256 -19.148 32.920 1.00 44.91 ? 6 DG D P 1 ATOM 2371 O OP1 . DG C 3 6 ? 0.871 -20.407 32.194 1.00 46.79 ? 6 DG D OP1 1 ATOM 2372 O OP2 . DG C 3 6 ? 0.461 -18.680 34.079 1.00 43.66 ? 6 DG D OP2 1 ATOM 2373 O "O5'" . DG C 3 6 ? 2.777 -19.314 33.361 1.00 43.63 ? 6 DG D "O5'" 1 ATOM 2374 C "C5'" . DG C 3 6 ? 3.776 -19.543 32.375 1.00 42.48 ? 6 DG D "C5'" 1 ATOM 2375 C "C4'" . DG C 3 6 ? 5.145 -19.270 32.947 1.00 43.04 ? 6 DG D "C4'" 1 ATOM 2376 O "O4'" . DG C 3 6 ? 5.344 -17.850 33.128 1.00 40.75 ? 6 DG D "O4'" 1 ATOM 2377 C "C3'" . DG C 3 6 ? 5.458 -19.915 34.307 1.00 44.21 ? 6 DG D "C3'" 1 ATOM 2378 O "O3'" . DG C 3 6 ? 6.796 -20.422 34.248 1.00 46.63 ? 6 DG D "O3'" 1 ATOM 2379 C "C2'" . DG C 3 6 ? 5.422 -18.735 35.271 1.00 42.28 ? 6 DG D "C2'" 1 ATOM 2380 C "C1'" . DG C 3 6 ? 5.994 -17.648 34.374 1.00 41.68 ? 6 DG D "C1'" 1 ATOM 2381 N N9 . DG C 3 6 ? 5.769 -16.267 34.788 1.00 40.77 ? 6 DG D N9 1 ATOM 2382 C C8 . DG C 3 6 ? 4.618 -15.746 35.324 1.00 40.95 ? 6 DG D C8 1 ATOM 2383 N N7 . DG C 3 6 ? 4.712 -14.470 35.594 1.00 40.82 ? 6 DG D N7 1 ATOM 2384 C C5 . DG C 3 6 ? 6.008 -14.132 35.222 1.00 38.67 ? 6 DG D C5 1 ATOM 2385 C C6 . DG C 3 6 ? 6.694 -12.886 35.293 1.00 37.37 ? 6 DG D C6 1 ATOM 2386 O O6 . DG C 3 6 ? 6.292 -11.808 35.742 1.00 34.79 ? 6 DG D O6 1 ATOM 2387 N N1 . DG C 3 6 ? 7.982 -12.983 34.773 1.00 36.84 ? 6 DG D N1 1 ATOM 2388 C C2 . DG C 3 6 ? 8.535 -14.128 34.250 1.00 36.60 ? 6 DG D C2 1 ATOM 2389 N N2 . DG C 3 6 ? 9.792 -14.018 33.755 1.00 34.91 ? 6 DG D N2 1 ATOM 2390 N N3 . DG C 3 6 ? 7.912 -15.289 34.205 1.00 37.81 ? 6 DG D N3 1 ATOM 2391 C C4 . DG C 3 6 ? 6.668 -15.224 34.707 1.00 38.91 ? 6 DG D C4 1 ATOM 2392 P P . DT C 3 7 ? 7.316 -21.452 35.364 1.00 50.33 ? 7 DT D P 1 ATOM 2393 O OP1 . DT C 3 7 ? 8.578 -22.028 34.816 1.00 49.28 ? 7 DT D OP1 1 ATOM 2394 O OP2 . DT C 3 7 ? 6.172 -22.325 35.718 1.00 48.60 ? 7 DT D OP2 1 ATOM 2395 O "O5'" . DT C 3 7 ? 7.665 -20.562 36.650 1.00 49.65 ? 7 DT D "O5'" 1 ATOM 2396 C "C5'" . DT C 3 7 ? 9.019 -20.386 37.046 1.00 49.43 ? 7 DT D "C5'" 1 ATOM 2397 C "C4'" . DT C 3 7 ? 9.658 -19.334 36.174 1.00 49.86 ? 7 DT D "C4'" 1 ATOM 2398 O "O4'" . DT C 3 7 ? 8.797 -18.170 36.152 1.00 48.78 ? 7 DT D "O4'" 1 ATOM 2399 C "C3'" . DT C 3 7 ? 11.035 -18.823 36.607 1.00 50.59 ? 7 DT D "C3'" 1 ATOM 2400 O "O3'" . DT C 3 7 ? 11.803 -18.516 35.424 1.00 53.46 ? 7 DT D "O3'" 1 ATOM 2401 C "C2'" . DT C 3 7 ? 10.699 -17.586 37.421 1.00 48.20 ? 7 DT D "C2'" 1 ATOM 2402 C "C1'" . DT C 3 7 ? 9.492 -17.043 36.663 1.00 47.03 ? 7 DT D "C1'" 1 ATOM 2403 N N1 . DT C 3 7 ? 8.517 -16.252 37.418 1.00 43.57 ? 7 DT D N1 1 ATOM 2404 C C2 . DT C 3 7 ? 8.793 -14.921 37.681 1.00 42.00 ? 7 DT D C2 1 ATOM 2405 O O2 . DT C 3 7 ? 9.842 -14.383 37.396 1.00 35.92 ? 7 DT D O2 1 ATOM 2406 N N3 . DT C 3 7 ? 7.775 -14.237 38.288 1.00 43.16 ? 7 DT D N3 1 ATOM 2407 C C4 . DT C 3 7 ? 6.540 -14.733 38.658 1.00 45.57 ? 7 DT D C4 1 ATOM 2408 O O4 . DT C 3 7 ? 5.690 -13.981 39.143 1.00 45.43 ? 7 DT D O4 1 ATOM 2409 C C5 . DT C 3 7 ? 6.346 -16.147 38.410 1.00 46.09 ? 7 DT D C5 1 ATOM 2410 C C7 . DT C 3 7 ? 5.053 -16.771 38.831 1.00 46.38 ? 7 DT D C7 1 ATOM 2411 C C6 . DT C 3 7 ? 7.334 -16.829 37.811 1.00 44.38 ? 7 DT D C6 1 ATOM 2412 P P . DG C 3 8 ? 13.195 -17.732 35.564 1.00 56.79 ? 8 DG D P 1 ATOM 2413 O OP1 . DG C 3 8 ? 13.829 -17.534 34.236 1.00 56.02 ? 8 DG D OP1 1 ATOM 2414 O OP2 . DG C 3 8 ? 13.969 -18.350 36.658 1.00 57.33 ? 8 DG D OP2 1 ATOM 2415 O "O5'" . DG C 3 8 ? 12.696 -16.304 36.046 1.00 56.71 ? 8 DG D "O5'" 1 ATOM 2416 C "C5'" . DG C 3 8 ? 13.193 -15.750 37.220 1.00 51.85 ? 8 DG D "C5'" 1 ATOM 2417 C "C4'" . DG C 3 8 ? 14.326 -14.835 36.870 1.00 49.19 ? 8 DG D "C4'" 1 ATOM 2418 O "O4'" . DG C 3 8 ? 13.826 -13.495 36.650 1.00 46.69 ? 8 DG D "O4'" 1 ATOM 2419 C "C3'" . DG C 3 8 ? 15.266 -14.751 38.055 1.00 48.63 ? 8 DG D "C3'" 1 ATOM 2420 O "O3'" . DG C 3 8 ? 16.581 -14.570 37.568 1.00 49.23 ? 8 DG D "O3'" 1 ATOM 2421 C "C2'" . DG C 3 8 ? 14.780 -13.532 38.804 1.00 46.86 ? 8 DG D "C2'" 1 ATOM 2422 C "C1'" . DG C 3 8 ? 14.278 -12.630 37.693 1.00 44.99 ? 8 DG D "C1'" 1 ATOM 2423 N N9 . DG C 3 8 ? 13.145 -11.847 38.157 1.00 42.30 ? 8 DG D N9 1 ATOM 2424 C C8 . DG C 3 8 ? 11.821 -12.204 38.095 1.00 42.27 ? 8 DG D C8 1 ATOM 2425 N N7 . DG C 3 8 ? 11.028 -11.305 38.612 1.00 41.20 ? 8 DG D N7 1 ATOM 2426 C C5 . DG C 3 8 ? 11.881 -10.301 39.029 1.00 40.44 ? 8 DG D C5 1 ATOM 2427 C C6 . DG C 3 8 ? 11.600 -9.078 39.674 1.00 41.90 ? 8 DG D C6 1 ATOM 2428 O O6 . DG C 3 8 ? 10.517 -8.602 39.976 1.00 44.01 ? 8 DG D O6 1 ATOM 2429 N N1 . DG C 3 8 ? 12.758 -8.381 39.970 1.00 43.15 ? 8 DG D N1 1 ATOM 2430 C C2 . DG C 3 8 ? 14.020 -8.811 39.676 1.00 42.21 ? 8 DG D C2 1 ATOM 2431 N N2 . DG C 3 8 ? 15.012 -8.032 40.098 1.00 46.12 ? 8 DG D N2 1 ATOM 2432 N N3 . DG C 3 8 ? 14.291 -9.929 39.039 1.00 42.23 ? 8 DG D N3 1 ATOM 2433 C C4 . DG C 3 8 ? 13.187 -10.626 38.759 1.00 40.39 ? 8 DG D C4 1 ATOM 2434 P P . DT C 3 9 ? 17.797 -14.646 38.581 1.00 48.56 ? 9 DT D P 1 ATOM 2435 O OP1 . DT C 3 9 ? 18.992 -14.846 37.720 1.00 50.19 ? 9 DT D OP1 1 ATOM 2436 O OP2 . DT C 3 9 ? 17.506 -15.617 39.669 1.00 48.99 ? 9 DT D OP2 1 ATOM 2437 O "O5'" . DT C 3 9 ? 17.801 -13.184 39.190 1.00 46.16 ? 9 DT D "O5'" 1 ATOM 2438 C "C5'" . DT C 3 9 ? 18.401 -12.144 38.483 1.00 48.25 ? 9 DT D "C5'" 1 ATOM 2439 C "C4'" . DT C 3 9 ? 18.379 -10.900 39.320 1.00 50.78 ? 9 DT D "C4'" 1 ATOM 2440 O "O4'" . DT C 3 9 ? 18.856 -11.243 40.635 1.00 52.36 ? 9 DT D "O4'" 1 ATOM 2441 C "C3'" . DT C 3 9 ? 19.326 -9.837 38.794 1.00 51.53 ? 9 DT D "C3'" 1 ATOM 2442 O "O3'" . DT C 3 9 ? 18.838 -8.567 39.207 1.00 50.48 ? 9 DT D "O3'" 1 ATOM 2443 C "C2'" . DT C 3 9 ? 20.641 -10.201 39.466 1.00 53.74 ? 9 DT D "C2'" 1 ATOM 2444 C "C1'" . DT C 3 9 ? 20.189 -10.768 40.803 1.00 54.42 ? 9 DT D "C1'" 1 ATOM 2445 N N1 . DT C 3 9 ? 21.002 -11.892 41.296 1.00 57.32 ? 9 DT D N1 1 ATOM 2446 C C2 . DT C 3 9 ? 20.515 -13.181 41.172 1.00 58.22 ? 9 DT D C2 1 ATOM 2447 O O2 . DT C 3 9 ? 19.497 -13.457 40.589 1.00 61.81 ? 9 DT D O2 1 ATOM 2448 N N3 . DT C 3 9 ? 21.272 -14.145 41.752 1.00 58.71 ? 9 DT D N3 1 ATOM 2449 C C4 . DT C 3 9 ? 22.461 -13.979 42.395 1.00 59.11 ? 9 DT D C4 1 ATOM 2450 O O4 . DT C 3 9 ? 23.008 -14.952 42.912 1.00 58.40 ? 9 DT D O4 1 ATOM 2451 C C5 . DT C 3 9 ? 22.965 -12.620 42.406 1.00 59.63 ? 9 DT D C5 1 ATOM 2452 C C7 . DT C 3 9 ? 24.321 -12.364 42.944 1.00 60.74 ? 9 DT D C7 1 ATOM 2453 C C6 . DT C 3 9 ? 22.208 -11.649 41.892 1.00 57.61 ? 9 DT D C6 1 ATOM 2454 P P . DG C 3 10 ? 18.493 -7.458 38.109 1.00 49.46 ? 10 DG D P 1 ATOM 2455 O OP1 . DG C 3 10 ? 19.787 -6.775 37.797 1.00 50.18 ? 10 DG D OP1 1 ATOM 2456 O OP2 . DG C 3 10 ? 17.339 -6.674 38.620 1.00 47.08 ? 10 DG D OP2 1 ATOM 2457 O "O5'" . DG C 3 10 ? 18.101 -8.301 36.814 1.00 46.37 ? 10 DG D "O5'" 1 ATOM 2458 C "C5'" . DG C 3 10 ? 16.838 -8.929 36.654 1.00 42.27 ? 10 DG D "C5'" 1 ATOM 2459 C "C4'" . DG C 3 10 ? 16.943 -9.906 35.509 1.00 40.34 ? 10 DG D "C4'" 1 ATOM 2460 O "O4'" . DG C 3 10 ? 15.830 -10.813 35.424 1.00 39.85 ? 10 DG D "O4'" 1 ATOM 2461 C "C3'" . DG C 3 10 ? 17.069 -9.288 34.125 1.00 41.60 ? 10 DG D "C3'" 1 ATOM 2462 O "O3'" . DG C 3 10 ? 17.962 -10.126 33.379 1.00 42.63 ? 10 DG D "O3'" 1 ATOM 2463 C "C2'" . DG C 3 10 ? 15.650 -9.391 33.570 1.00 39.12 ? 10 DG D "C2'" 1 ATOM 2464 C "C1'" . DG C 3 10 ? 15.242 -10.741 34.117 1.00 37.68 ? 10 DG D "C1'" 1 ATOM 2465 N N9 . DG C 3 10 ? 13.808 -10.956 34.270 1.00 35.77 ? 10 DG D N9 1 ATOM 2466 C C8 . DG C 3 10 ? 13.083 -12.042 33.838 1.00 33.38 ? 10 DG D C8 1 ATOM 2467 N N7 . DG C 3 10 ? 11.812 -11.968 34.163 1.00 34.18 ? 10 DG D N7 1 ATOM 2468 C C5 . DG C 3 10 ? 11.696 -10.772 34.851 1.00 32.63 ? 10 DG D C5 1 ATOM 2469 C C6 . DG C 3 10 ? 10.565 -10.182 35.453 1.00 34.75 ? 10 DG D C6 1 ATOM 2470 O O6 . DG C 3 10 ? 9.403 -10.629 35.519 1.00 34.59 ? 10 DG D O6 1 ATOM 2471 N N1 . DG C 3 10 ? 10.876 -8.956 36.035 1.00 34.14 ? 10 DG D N1 1 ATOM 2472 C C2 . DG C 3 10 ? 12.129 -8.389 36.054 1.00 34.27 ? 10 DG D C2 1 ATOM 2473 N N2 . DG C 3 10 ? 12.218 -7.206 36.726 1.00 33.28 ? 10 DG D N2 1 ATOM 2474 N N3 . DG C 3 10 ? 13.201 -8.933 35.481 1.00 32.21 ? 10 DG D N3 1 ATOM 2475 C C4 . DG C 3 10 ? 12.911 -10.117 34.909 1.00 33.83 ? 10 DG D C4 1 ATOM 2476 P P . DG C 3 11 ? 18.398 -9.698 31.901 1.00 46.12 ? 11 DG D P 1 ATOM 2477 O OP1 . DG C 3 11 ? 19.629 -10.425 31.486 1.00 46.12 ? 11 DG D OP1 1 ATOM 2478 O OP2 . DG C 3 11 ? 18.384 -8.217 31.928 1.00 43.60 ? 11 DG D OP2 1 ATOM 2479 O "O5'" . DG C 3 11 ? 17.235 -10.269 30.979 1.00 44.12 ? 11 DG D "O5'" 1 ATOM 2480 C "C5'" . DG C 3 11 ? 17.036 -11.657 30.850 1.00 43.20 ? 11 DG D "C5'" 1 ATOM 2481 C "C4'" . DG C 3 11 ? 15.850 -11.911 29.952 1.00 45.61 ? 11 DG D "C4'" 1 ATOM 2482 O "O4'" . DG C 3 11 ? 14.586 -11.672 30.649 1.00 43.14 ? 11 DG D "O4'" 1 ATOM 2483 C "C3'" . DG C 3 11 ? 15.829 -11.007 28.710 1.00 46.64 ? 11 DG D "C3'" 1 ATOM 2484 O "O3'" . DG C 3 11 ? 15.424 -11.788 27.575 1.00 51.55 ? 11 DG D "O3'" 1 ATOM 2485 C "C2'" . DG C 3 11 ? 14.754 -9.982 29.058 1.00 43.95 ? 11 DG D "C2'" 1 ATOM 2486 C "C1'" . DG C 3 11 ? 13.763 -10.855 29.819 1.00 40.75 ? 11 DG D "C1'" 1 ATOM 2487 N N9 . DG C 3 11 ? 12.781 -10.149 30.652 1.00 35.60 ? 11 DG D N9 1 ATOM 2488 C C8 . DG C 3 11 ? 12.950 -8.921 31.242 1.00 33.07 ? 11 DG D C8 1 ATOM 2489 N N7 . DG C 3 11 ? 11.893 -8.513 31.896 1.00 32.18 ? 11 DG D N7 1 ATOM 2490 C C5 . DG C 3 11 ? 10.970 -9.537 31.742 1.00 29.42 ? 11 DG D C5 1 ATOM 2491 C C6 . DG C 3 11 ? 9.629 -9.644 32.229 1.00 27.99 ? 11 DG D C6 1 ATOM 2492 O O6 . DG C 3 11 ? 9.001 -8.842 32.901 1.00 28.51 ? 11 DG D O6 1 ATOM 2493 N N1 . DG C 3 11 ? 9.030 -10.828 31.834 1.00 26.78 ? 11 DG D N1 1 ATOM 2494 C C2 . DG C 3 11 ? 9.642 -11.797 31.060 1.00 28.35 ? 11 DG D C2 1 ATOM 2495 N N2 . DG C 3 11 ? 8.855 -12.828 30.726 1.00 29.09 ? 11 DG D N2 1 ATOM 2496 N N3 . DG C 3 11 ? 10.910 -11.735 30.628 1.00 28.32 ? 11 DG D N3 1 ATOM 2497 C C4 . DG C 3 11 ? 11.503 -10.569 30.988 1.00 31.31 ? 11 DG D C4 1 ATOM 2498 P P . DT C 3 12 ? 16.218 -11.652 26.175 1.00 55.32 ? 12 DT D P 1 ATOM 2499 O OP1 . DT C 3 12 ? 15.730 -12.761 25.314 1.00 54.77 ? 12 DT D OP1 1 ATOM 2500 O OP2 . DT C 3 12 ? 17.662 -11.529 26.479 1.00 53.35 ? 12 DT D OP2 1 ATOM 2501 O "O5'" . DT C 3 12 ? 15.723 -10.272 25.559 1.00 56.52 ? 12 DT D "O5'" 1 ATOM 2502 C "C5'" . DT C 3 12 ? 16.610 -9.474 24.768 1.00 58.11 ? 12 DT D "C5'" 1 ATOM 2503 C "C4'" . DT C 3 12 ? 15.984 -8.131 24.482 1.00 58.39 ? 12 DT D "C4'" 1 ATOM 2504 O "O4'" . DT C 3 12 ? 14.935 -8.300 23.497 1.00 59.57 ? 12 DT D "O4'" 1 ATOM 2505 C "C3'" . DT C 3 12 ? 15.323 -7.549 25.723 1.00 57.69 ? 12 DT D "C3'" 1 ATOM 2506 O "O3'" . DT C 3 12 ? 15.639 -6.200 25.953 1.00 55.04 ? 12 DT D "O3'" 1 ATOM 2507 C "C2'" . DT C 3 12 ? 13.840 -7.681 25.482 1.00 58.92 ? 12 DT D "C2'" 1 ATOM 2508 C "C1'" . DT C 3 12 ? 13.691 -7.850 23.987 1.00 59.71 ? 12 DT D "C1'" 1 ATOM 2509 N N1 . DT C 3 12 ? 12.735 -8.914 23.736 1.00 61.10 ? 12 DT D N1 1 ATOM 2510 C C2 . DT C 3 12 ? 11.735 -8.724 22.811 1.00 62.72 ? 12 DT D C2 1 ATOM 2511 O O2 . DT C 3 12 ? 11.632 -7.703 22.143 1.00 64.23 ? 12 DT D O2 1 ATOM 2512 N N3 . DT C 3 12 ? 10.851 -9.778 22.697 1.00 62.09 ? 12 DT D N3 1 ATOM 2513 C C4 . DT C 3 12 ? 10.892 -10.969 23.406 1.00 62.72 ? 12 DT D C4 1 ATOM 2514 O O4 . DT C 3 12 ? 10.050 -11.828 23.210 1.00 64.25 ? 12 DT D O4 1 ATOM 2515 C C5 . DT C 3 12 ? 11.981 -11.097 24.351 1.00 62.69 ? 12 DT D C5 1 ATOM 2516 C C7 . DT C 3 12 ? 12.096 -12.344 25.163 1.00 62.36 ? 12 DT D C7 1 ATOM 2517 C C6 . DT C 3 12 ? 12.841 -10.082 24.457 1.00 61.81 ? 12 DT D C6 1 ATOM 2518 P P . DT C 3 13 ? 15.492 -5.646 27.433 1.00 55.00 ? 13 DT D P 1 ATOM 2519 O OP1 . DT C 3 13 ? 16.354 -4.437 27.616 1.00 54.60 ? 13 DT D OP1 1 ATOM 2520 O OP2 . DT C 3 13 ? 15.685 -6.834 28.317 1.00 55.43 ? 13 DT D OP2 1 ATOM 2521 O "O5'" . DT C 3 13 ? 13.950 -5.231 27.528 1.00 51.26 ? 13 DT D "O5'" 1 ATOM 2522 C "C5'" . DT C 3 13 ? 13.558 -3.871 27.434 1.00 46.36 ? 13 DT D "C5'" 1 ATOM 2523 C "C4'" . DT C 3 13 ? 12.786 -3.486 28.668 1.00 45.22 ? 13 DT D "C4'" 1 ATOM 2524 O "O4'" . DT C 3 13 ? 11.576 -4.276 28.693 1.00 41.38 ? 13 DT D "O4'" 1 ATOM 2525 C "C3'" . DT C 3 13 ? 13.509 -3.800 29.983 1.00 44.35 ? 13 DT D "C3'" 1 ATOM 2526 O "O3'" . DT C 3 13 ? 13.106 -2.859 30.946 1.00 48.02 ? 13 DT D "O3'" 1 ATOM 2527 C "C2'" . DT C 3 13 ? 12.925 -5.136 30.395 1.00 41.14 ? 13 DT D "C2'" 1 ATOM 2528 C "C1'" . DT C 3 13 ? 11.498 -4.955 29.926 1.00 38.20 ? 13 DT D "C1'" 1 ATOM 2529 N N1 . DT C 3 13 ? 10.759 -6.181 29.680 1.00 34.41 ? 13 DT D N1 1 ATOM 2530 C C2 . DT C 3 13 ? 9.525 -6.280 30.297 1.00 31.94 ? 13 DT D C2 1 ATOM 2531 O O2 . DT C 3 13 ? 9.079 -5.385 31.007 1.00 29.35 ? 13 DT D O2 1 ATOM 2532 N N3 . DT C 3 13 ? 8.844 -7.437 30.023 1.00 28.92 ? 13 DT D N3 1 ATOM 2533 C C4 . DT C 3 13 ? 9.281 -8.473 29.179 1.00 30.50 ? 13 DT D C4 1 ATOM 2534 O O4 . DT C 3 13 ? 8.560 -9.448 28.977 1.00 27.18 ? 13 DT D O4 1 ATOM 2535 C C5 . DT C 3 13 ? 10.600 -8.284 28.579 1.00 30.37 ? 13 DT D C5 1 ATOM 2536 C C7 . DT C 3 13 ? 11.150 -9.337 27.677 1.00 30.63 ? 13 DT D C7 1 ATOM 2537 C C6 . DT C 3 13 ? 11.259 -7.164 28.861 1.00 31.63 ? 13 DT D C6 1 ATOM 2538 P P . DG C 3 14 ? 14.166 -1.830 31.541 1.00 51.95 ? 14 DG D P 1 ATOM 2539 O OP1 . DG C 3 14 ? 14.232 -0.721 30.558 1.00 54.04 ? 14 DG D OP1 1 ATOM 2540 O OP2 . DG C 3 14 ? 15.395 -2.580 31.891 1.00 52.81 ? 14 DG D OP2 1 ATOM 2541 O "O5'" . DG C 3 14 ? 13.473 -1.286 32.857 1.00 49.97 ? 14 DG D "O5'" 1 ATOM 2542 C "C5'" . DG C 3 14 ? 12.119 -1.583 33.131 1.00 47.73 ? 14 DG D "C5'" 1 ATOM 2543 C "C4'" . DG C 3 14 ? 11.622 -0.715 34.260 1.00 45.69 ? 14 DG D "C4'" 1 ATOM 2544 O "O4'" . DG C 3 14 ? 10.220 -0.974 34.471 1.00 43.62 ? 14 DG D "O4'" 1 ATOM 2545 C "C3'" . DG C 3 14 ? 12.280 -0.947 35.616 1.00 46.18 ? 14 DG D "C3'" 1 ATOM 2546 O "O3'" . DG C 3 14 ? 12.221 0.305 36.305 1.00 48.18 ? 14 DG D "O3'" 1 ATOM 2547 C "C2'" . DG C 3 14 ? 11.400 -2.018 36.251 1.00 44.86 ? 14 DG D "C2'" 1 ATOM 2548 C "C1'" . DG C 3 14 ? 10.019 -1.706 35.676 1.00 42.47 ? 14 DG D "C1'" 1 ATOM 2549 N N9 . DG C 3 14 ? 9.114 -2.811 35.356 1.00 39.87 ? 14 DG D N9 1 ATOM 2550 C C8 . DG C 3 14 ? 7.741 -2.771 35.486 1.00 37.65 ? 14 DG D C8 1 ATOM 2551 N N7 . DG C 3 14 ? 7.149 -3.845 35.036 1.00 34.48 ? 14 DG D N7 1 ATOM 2552 C C5 . DG C 3 14 ? 8.180 -4.663 34.612 1.00 33.38 ? 14 DG D C5 1 ATOM 2553 C C6 . DG C 3 14 ? 8.125 -5.954 34.041 1.00 34.07 ? 14 DG D C6 1 ATOM 2554 O O6 . DG C 3 14 ? 7.136 -6.627 33.791 1.00 31.18 ? 14 DG D O6 1 ATOM 2555 N N1 . DG C 3 14 ? 9.404 -6.446 33.750 1.00 33.46 ? 14 DG D N1 1 ATOM 2556 C C2 . DG C 3 14 ? 10.577 -5.749 33.982 1.00 33.16 ? 14 DG D C2 1 ATOM 2557 N N2 . DG C 3 14 ? 11.687 -6.369 33.625 1.00 30.82 ? 14 DG D N2 1 ATOM 2558 N N3 . DG C 3 14 ? 10.634 -4.533 34.524 1.00 33.88 ? 14 DG D N3 1 ATOM 2559 C C4 . DG C 3 14 ? 9.410 -4.056 34.811 1.00 36.01 ? 14 DG D C4 1 ATOM 2560 P P . DG C 3 15 ? 12.798 0.448 37.799 1.00 51.20 ? 15 DG D P 1 ATOM 2561 O OP1 . DG C 3 15 ? 12.835 1.934 38.019 1.00 49.85 ? 15 DG D OP1 1 ATOM 2562 O OP2 . DG C 3 15 ? 14.012 -0.376 38.006 1.00 48.71 ? 15 DG D OP2 1 ATOM 2563 O "O5'" . DG C 3 15 ? 11.644 -0.123 38.736 1.00 50.72 ? 15 DG D "O5'" 1 ATOM 2564 C "C5'" . DG C 3 15 ? 10.412 0.583 38.891 1.00 49.68 ? 15 DG D "C5'" 1 ATOM 2565 C "C4'" . DG C 3 15 ? 9.419 -0.258 39.660 1.00 47.75 ? 15 DG D "C4'" 1 ATOM 2566 O "O4'" . DG C 3 15 ? 9.106 -1.435 38.879 1.00 46.58 ? 15 DG D "O4'" 1 ATOM 2567 C "C3'" . DG C 3 15 ? 9.903 -0.774 41.017 1.00 47.31 ? 15 DG D "C3'" 1 ATOM 2568 O "O3'" . DG C 3 15 ? 8.906 -0.592 41.998 1.00 49.69 ? 15 DG D "O3'" 1 ATOM 2569 C "C2'" . DG C 3 15 ? 10.015 -2.273 40.829 1.00 46.21 ? 15 DG D "C2'" 1 ATOM 2570 C "C1'" . DG C 3 15 ? 8.966 -2.518 39.769 1.00 44.86 ? 15 DG D "C1'" 1 ATOM 2571 N N9 . DG C 3 15 ? 9.125 -3.759 39.015 1.00 43.31 ? 15 DG D N9 1 ATOM 2572 C C8 . DG C 3 15 ? 10.306 -4.385 38.702 1.00 41.97 ? 15 DG D C8 1 ATOM 2573 N N7 . DG C 3 15 ? 10.137 -5.521 38.083 1.00 41.06 ? 15 DG D N7 1 ATOM 2574 C C5 . DG C 3 15 ? 8.761 -5.646 37.964 1.00 39.50 ? 15 DG D C5 1 ATOM 2575 C C6 . DG C 3 15 ? 7.999 -6.688 37.416 1.00 36.88 ? 15 DG D C6 1 ATOM 2576 O O6 . DG C 3 15 ? 8.403 -7.726 36.899 1.00 33.08 ? 15 DG D O6 1 ATOM 2577 N N1 . DG C 3 15 ? 6.632 -6.431 37.516 1.00 35.37 ? 15 DG D N1 1 ATOM 2578 C C2 . DG C 3 15 ? 6.076 -5.301 38.054 1.00 36.27 ? 15 DG D C2 1 ATOM 2579 N N2 . DG C 3 15 ? 4.710 -5.221 38.014 1.00 32.43 ? 15 DG D N2 1 ATOM 2580 N N3 . DG C 3 15 ? 6.793 -4.314 38.583 1.00 37.09 ? 15 DG D N3 1 ATOM 2581 C C4 . DG C 3 15 ? 8.117 -4.558 38.510 1.00 40.68 ? 15 DG D C4 1 HETATM 2582 ZN ZN . ZN D 4 . ? -11.914 -4.960 15.189 1.00 27.81 ? 101 ZN L ZN 1 HETATM 2583 N N . 0G6 E 5 . ? 12.891 21.542 7.656 1.00 18.65 ? 301 0G6 H N 1 HETATM 2584 C CA . 0G6 E 5 . ? 13.171 20.983 6.353 1.00 18.13 ? 301 0G6 H CA 1 HETATM 2585 C C . 0G6 E 5 . ? 12.110 19.808 6.571 1.00 17.97 ? 301 0G6 H C 1 HETATM 2586 O O . 0G6 E 5 . ? 10.963 19.653 6.990 1.00 15.94 ? 301 0G6 H O 1 HETATM 2587 C CB . 0G6 E 5 . ? 12.514 21.846 5.267 1.00 20.87 ? 301 0G6 H CB 1 HETATM 2588 C CG . 0G6 E 5 . ? 12.639 21.268 3.873 1.00 18.79 ? 301 0G6 H CG 1 HETATM 2589 C CD1 . 0G6 E 5 . ? 11.496 20.923 3.190 1.00 17.00 ? 301 0G6 H CD1 1 HETATM 2590 C CD2 . 0G6 E 5 . ? 13.888 21.117 3.295 1.00 17.40 ? 301 0G6 H CD2 1 HETATM 2591 C CE1 . 0G6 E 5 . ? 11.594 20.433 1.901 1.00 17.90 ? 301 0G6 H CE1 1 HETATM 2592 C CE2 . 0G6 E 5 . ? 13.980 20.620 2.004 1.00 17.53 ? 301 0G6 H CE2 1 HETATM 2593 C CZ . 0G6 E 5 . ? 12.832 20.281 1.301 1.00 15.86 ? 301 0G6 H CZ 1 HETATM 2594 N N1 . 0G6 E 5 . ? 12.446 18.710 6.075 1.00 26.51 ? 301 0G6 H N1 1 HETATM 2595 C CA1 . 0G6 E 5 . ? 11.748 17.415 6.179 1.00 26.22 ? 301 0G6 H CA1 1 HETATM 2596 C C1 . 0G6 E 5 . ? 11.628 16.977 7.639 1.00 26.01 ? 301 0G6 H C1 1 HETATM 2597 O O1 . 0G6 E 5 . ? 12.510 17.274 8.447 1.00 22.03 ? 301 0G6 H O1 1 HETATM 2598 C CB1 . 0G6 E 5 . ? 12.667 16.407 5.478 1.00 27.84 ? 301 0G6 H CB1 1 HETATM 2599 C CG1 . 0G6 E 5 . ? 13.603 17.289 4.646 1.00 25.22 ? 301 0G6 H CG1 1 HETATM 2600 C CD . 0G6 E 5 . ? 13.810 18.495 5.567 1.00 26.14 ? 301 0G6 H CD 1 HETATM 2601 N N2 . 0G6 E 5 . ? 10.528 16.298 7.948 1.00 22.75 ? 301 0G6 H N2 1 HETATM 2602 C CA2 . 0G6 E 5 . ? 10.310 15.761 9.299 1.00 22.82 ? 301 0G6 H CA2 1 HETATM 2603 C C2 . 0G6 E 5 . ? 10.261 14.229 9.348 1.00 24.10 ? 301 0G6 H C2 1 HETATM 2604 O O2 . 0G6 E 5 . ? 10.299 13.676 10.661 1.00 22.97 ? 301 0G6 H O2 1 HETATM 2605 C CB2 . 0G6 E 5 . ? 9.000 16.338 9.894 1.00 24.00 ? 301 0G6 H CB2 1 HETATM 2606 C CG2 . 0G6 E 5 . ? 9.112 17.828 10.234 1.00 21.54 ? 301 0G6 H CG2 1 HETATM 2607 C CD3 . 0G6 E 5 . ? 7.756 18.431 10.627 1.00 21.42 ? 301 0G6 H CD3 1 HETATM 2608 N NE . 0G6 E 5 . ? 7.961 19.810 11.100 1.00 19.30 ? 301 0G6 H NE 1 HETATM 2609 C CZ1 . 0G6 E 5 . ? 6.988 20.661 11.427 1.00 21.71 ? 301 0G6 H CZ1 1 HETATM 2610 N NH1 . 0G6 E 5 . ? 7.289 21.862 11.921 1.00 21.52 ? 301 0G6 H NH1 1 HETATM 2611 N NH2 . 0G6 E 5 . ? 5.708 20.315 11.330 1.00 20.39 ? 301 0G6 H NH2 1 HETATM 2612 C C3 . 0G6 E 5 . ? 11.203 13.592 8.322 1.00 21.77 ? 301 0G6 H C3 1 HETATM 2613 C C1 . NAG F 6 . ? 18.607 3.463 -3.389 1.00 52.56 ? 302 NAG H C1 1 HETATM 2614 C C2 . NAG F 6 . ? 18.712 4.116 -4.775 1.00 55.62 ? 302 NAG H C2 1 HETATM 2615 C C3 . NAG F 6 . ? 18.205 3.079 -5.818 1.00 58.27 ? 302 NAG H C3 1 HETATM 2616 C C4 . NAG F 6 . ? 19.121 1.852 -5.748 1.00 58.33 ? 302 NAG H C4 1 HETATM 2617 C C5 . NAG F 6 . ? 18.989 1.277 -4.318 1.00 58.30 ? 302 NAG H C5 1 HETATM 2618 C C6 . NAG F 6 . ? 19.826 0.039 -4.053 1.00 57.77 ? 302 NAG H C6 1 HETATM 2619 C C7 . NAG F 6 . ? 18.516 6.546 -4.961 1.00 56.74 ? 302 NAG H C7 1 HETATM 2620 C C8 . NAG F 6 . ? 19.806 6.848 -4.183 1.00 56.76 ? 302 NAG H C8 1 HETATM 2621 N N2 . NAG F 6 . ? 17.935 5.348 -4.805 1.00 56.17 ? 302 NAG H N2 1 HETATM 2622 O O3 . NAG F 6 . ? 18.195 3.609 -7.146 1.00 59.76 ? 302 NAG H O3 1 HETATM 2623 O O4 . NAG F 6 . ? 18.743 0.894 -6.738 1.00 59.67 ? 302 NAG H O4 1 HETATM 2624 O O5 . NAG F 6 . ? 19.402 2.275 -3.340 1.00 55.68 ? 302 NAG H O5 1 HETATM 2625 O O6 . NAG F 6 . ? 19.851 -0.253 -2.659 1.00 58.84 ? 302 NAG H O6 1 HETATM 2626 O O7 . NAG F 6 . ? 18.031 7.434 -5.686 1.00 56.42 ? 302 NAG H O7 1 HETATM 2627 NA NA . NA G 7 . ? 3.434 27.773 13.955 1.00 49.36 ? 303 NA H NA 1 HETATM 2628 ZN ZN . ZN H 4 . ? 26.261 6.488 2.955 1.00 40.25 ? 304 ZN H ZN 1 HETATM 2629 CL CL . CL I 8 . ? 28.111 4.261 4.229 1.00 22.52 ? 305 CL H CL 1 HETATM 2630 CL CL . CL J 8 . ? 24.164 4.581 2.919 1.00 40.63 ? 306 CL H CL 1 HETATM 2631 K K . K K 9 . ? 7.016 -9.107 34.887 1.00 31.63 ? 101 K D K 1 HETATM 2632 O O . HOH L 10 . ? -15.048 7.954 21.418 1.00 25.53 ? 201 HOH L O 1 HETATM 2633 O O . HOH L 10 . ? -11.859 0.030 13.892 1.00 28.94 ? 202 HOH L O 1 HETATM 2634 O O . HOH L 10 . ? -11.699 16.046 13.232 1.00 30.10 ? 203 HOH L O 1 HETATM 2635 O O . HOH L 10 . ? -11.342 10.028 28.181 1.00 43.19 ? 204 HOH L O 1 HETATM 2636 O O . HOH L 10 . ? -16.552 26.605 15.519 1.00 58.22 ? 205 HOH L O 1 HETATM 2637 O O . HOH L 10 . ? -14.042 22.699 22.602 1.00 65.81 ? 206 HOH L O 1 HETATM 2638 O O . HOH L 10 . ? -19.358 25.274 9.737 1.00 37.80 ? 207 HOH L O 1 HETATM 2639 O O . HOH L 10 . ? -12.335 23.588 18.586 1.00 40.64 ? 208 HOH L O 1 HETATM 2640 O O . HOH L 10 . ? -8.970 -3.767 8.346 1.00 48.19 ? 209 HOH L O 1 HETATM 2641 O O . HOH L 10 . ? -11.607 -6.906 11.697 1.00 36.90 ? 210 HOH L O 1 HETATM 2642 O O . HOH M 10 . ? -5.500 19.682 -3.437 1.00 34.45 ? 401 HOH H O 1 HETATM 2643 O O . HOH M 10 . ? -8.660 1.336 21.615 1.00 19.97 ? 402 HOH H O 1 HETATM 2644 O O . HOH M 10 . ? -1.997 -6.141 21.206 1.00 25.29 ? 403 HOH H O 1 HETATM 2645 O O . HOH M 10 . ? -3.063 11.443 15.147 1.00 23.89 ? 404 HOH H O 1 HETATM 2646 O O . HOH M 10 . ? 13.827 19.599 9.038 1.00 22.22 ? 405 HOH H O 1 HETATM 2647 O O . HOH M 10 . ? -4.618 9.228 16.102 1.00 18.86 ? 406 HOH H O 1 HETATM 2648 O O . HOH M 10 . ? 3.224 15.711 -0.761 1.00 20.55 ? 407 HOH H O 1 HETATM 2649 O O . HOH M 10 . ? 6.847 17.930 -8.104 1.00 23.66 ? 408 HOH H O 1 HETATM 2650 O O . HOH M 10 . ? 10.477 21.121 10.764 1.00 27.49 ? 409 HOH H O 1 HETATM 2651 O O . HOH M 10 . ? 4.870 27.931 7.001 1.00 23.86 ? 410 HOH H O 1 HETATM 2652 O O . HOH M 10 . ? -10.199 2.898 4.641 1.00 28.29 ? 411 HOH H O 1 HETATM 2653 O O . HOH M 10 . ? 14.443 7.900 8.542 1.00 26.05 ? 412 HOH H O 1 HETATM 2654 O O . HOH M 10 . ? 7.951 26.387 12.634 1.00 26.93 ? 413 HOH H O 1 HETATM 2655 O O . HOH M 10 . ? 4.723 10.450 14.307 1.00 29.80 ? 414 HOH H O 1 HETATM 2656 O O . HOH M 10 . ? 3.236 1.438 18.074 1.00 19.17 ? 415 HOH H O 1 HETATM 2657 O O . HOH M 10 . ? 10.930 20.424 -9.184 1.00 35.18 ? 416 HOH H O 1 HETATM 2658 O O . HOH M 10 . ? 15.534 18.643 -0.668 1.00 28.09 ? 417 HOH H O 1 HETATM 2659 O O . HOH M 10 . ? 2.430 27.738 16.290 1.00 35.33 ? 418 HOH H O 1 HETATM 2660 O O . HOH M 10 . ? -2.788 1.175 21.883 1.00 25.99 ? 419 HOH H O 1 HETATM 2661 O O . HOH M 10 . ? 11.384 9.715 -6.394 1.00 37.87 ? 420 HOH H O 1 HETATM 2662 O O . HOH M 10 . ? -6.499 13.985 2.235 1.00 27.31 ? 421 HOH H O 1 HETATM 2663 O O . HOH M 10 . ? 21.234 0.704 8.738 1.00 46.57 ? 422 HOH H O 1 HETATM 2664 O O . HOH M 10 . ? -7.367 -10.476 16.763 1.00 19.06 ? 423 HOH H O 1 HETATM 2665 O O . HOH M 10 . ? -19.061 15.482 0.901 1.00 33.79 ? 424 HOH H O 1 HETATM 2666 O O . HOH M 10 . ? -7.381 27.825 10.242 1.00 26.68 ? 425 HOH H O 1 HETATM 2667 O O . HOH M 10 . ? 2.824 6.195 24.748 1.00 33.92 ? 426 HOH H O 1 HETATM 2668 O O . HOH M 10 . ? -5.508 28.565 11.819 1.00 27.07 ? 427 HOH H O 1 HETATM 2669 O O . HOH M 10 . ? -6.527 9.568 18.323 1.00 34.77 ? 428 HOH H O 1 HETATM 2670 O O . HOH M 10 . ? 0.967 33.379 5.349 1.00 34.24 ? 429 HOH H O 1 HETATM 2671 O O . HOH M 10 . ? 14.397 3.584 -0.843 1.00 44.71 ? 430 HOH H O 1 HETATM 2672 O O . HOH M 10 . ? -0.039 26.511 16.368 1.00 24.78 ? 431 HOH H O 1 HETATM 2673 O O . HOH M 10 . ? 6.966 26.091 6.357 1.00 34.62 ? 432 HOH H O 1 HETATM 2674 O O . HOH M 10 . ? 14.186 25.620 4.102 1.00 60.44 ? 433 HOH H O 1 HETATM 2675 O O . HOH M 10 . ? 5.795 -8.311 9.502 1.00 54.14 ? 434 HOH H O 1 HETATM 2676 O O . HOH M 10 . ? -14.889 27.009 9.185 1.00 46.15 ? 435 HOH H O 1 HETATM 2677 O O . HOH M 10 . ? -8.428 19.527 -0.553 1.00 48.90 ? 436 HOH H O 1 HETATM 2678 O O . HOH M 10 . ? 4.936 17.103 1.162 1.00 16.27 ? 437 HOH H O 1 HETATM 2679 O O . HOH M 10 . ? -7.274 -6.936 23.633 1.00 27.78 ? 438 HOH H O 1 HETATM 2680 O O . HOH M 10 . ? 10.221 24.868 -3.560 1.00 34.95 ? 439 HOH H O 1 HETATM 2681 O O . HOH M 10 . ? -1.303 31.855 17.938 1.00 37.61 ? 440 HOH H O 1 HETATM 2682 O O . HOH M 10 . ? -6.295 2.878 -7.884 1.00 31.95 ? 441 HOH H O 1 HETATM 2683 O O . HOH M 10 . ? -0.789 1.054 17.784 1.00 24.04 ? 442 HOH H O 1 HETATM 2684 O O . HOH M 10 . ? 13.170 -8.181 4.873 1.00 51.36 ? 443 HOH H O 1 HETATM 2685 O O . HOH M 10 . ? -0.118 21.777 -7.599 1.00 34.56 ? 444 HOH H O 1 HETATM 2686 O O . HOH M 10 . ? 3.955 18.801 9.504 1.00 22.61 ? 445 HOH H O 1 HETATM 2687 O O . HOH M 10 . ? -3.502 -6.633 1.241 1.00 54.67 ? 446 HOH H O 1 HETATM 2688 O O . HOH M 10 . ? -2.951 4.260 21.752 1.00 28.10 ? 447 HOH H O 1 HETATM 2689 O O . HOH M 10 . ? 1.670 30.657 14.449 1.00 32.75 ? 448 HOH H O 1 HETATM 2690 O O . HOH M 10 . ? 5.744 35.761 17.501 1.00 51.80 ? 449 HOH H O 1 HETATM 2691 O O . HOH M 10 . ? 10.796 29.640 2.747 1.00 33.32 ? 450 HOH H O 1 HETATM 2692 O O . HOH M 10 . ? 12.285 -5.857 8.202 1.00 25.37 ? 451 HOH H O 1 HETATM 2693 O O . HOH M 10 . ? 13.581 -1.975 18.257 1.00 50.09 ? 452 HOH H O 1 HETATM 2694 O O . HOH M 10 . ? 1.858 24.769 13.641 1.00 33.65 ? 453 HOH H O 1 HETATM 2695 O O . HOH M 10 . ? -1.724 23.320 21.763 1.00 58.51 ? 454 HOH H O 1 HETATM 2696 O O . HOH M 10 . ? 4.591 6.798 15.631 1.00 20.44 ? 455 HOH H O 1 HETATM 2697 O O . HOH M 10 . ? 1.004 7.561 7.745 1.00 17.84 ? 456 HOH H O 1 HETATM 2698 O O . HOH M 10 . ? -17.308 9.232 -5.673 1.00 58.84 ? 457 HOH H O 1 HETATM 2699 O O . HOH M 10 . ? 3.784 28.078 -3.479 1.00 35.83 ? 458 HOH H O 1 HETATM 2700 O O . HOH M 10 . ? 13.770 16.268 24.634 1.00 55.56 ? 459 HOH H O 1 HETATM 2701 O O . HOH M 10 . ? 13.044 29.179 18.268 1.00 59.54 ? 460 HOH H O 1 HETATM 2702 O O . HOH M 10 . ? 18.740 19.350 -4.367 1.00 55.11 ? 461 HOH H O 1 HETATM 2703 O O . HOH M 10 . ? 25.788 2.696 3.269 1.00 20.13 ? 462 HOH H O 1 HETATM 2704 O O . HOH M 10 . ? 6.480 13.758 20.355 1.00 23.92 ? 463 HOH H O 1 HETATM 2705 O O . HOH M 10 . ? 1.003 27.385 13.122 1.00 24.98 ? 464 HOH H O 1 HETATM 2706 O O . HOH M 10 . ? 4.124 17.724 23.313 1.00 27.90 ? 465 HOH H O 1 HETATM 2707 O O . HOH M 10 . ? 13.543 22.044 13.598 1.00 40.81 ? 466 HOH H O 1 HETATM 2708 O O . HOH M 10 . ? 8.033 -10.160 11.173 1.00 38.45 ? 467 HOH H O 1 HETATM 2709 O O . HOH M 10 . ? 5.263 25.455 12.282 1.00 43.03 ? 468 HOH H O 1 HETATM 2710 O O . HOH M 10 . ? 20.353 -7.059 12.973 1.00 49.18 ? 469 HOH H O 1 HETATM 2711 O O . HOH M 10 . ? 12.931 14.496 11.086 1.00 49.16 ? 470 HOH H O 1 HETATM 2712 O O . HOH M 10 . ? 6.879 20.570 23.941 1.00 37.49 ? 471 HOH H O 1 HETATM 2713 O O . HOH M 10 . ? -8.341 6.945 29.073 1.00 46.49 ? 472 HOH H O 1 HETATM 2714 O O . HOH M 10 . ? -17.815 8.485 20.462 1.00 44.57 ? 473 HOH H O 1 HETATM 2715 O O . HOH M 10 . ? 6.283 9.234 15.915 1.00 29.75 ? 474 HOH H O 1 HETATM 2716 O O . HOH M 10 . ? -7.608 1.442 6.253 1.00 24.35 ? 475 HOH H O 1 HETATM 2717 O O . HOH M 10 . ? 17.547 19.618 3.065 1.00 38.59 ? 476 HOH H O 1 HETATM 2718 O O . HOH M 10 . ? 9.394 2.089 -4.624 1.00 35.29 ? 477 HOH H O 1 HETATM 2719 O O . HOH M 10 . ? 9.781 24.534 19.137 1.00 52.28 ? 478 HOH H O 1 HETATM 2720 O O . HOH M 10 . ? -1.261 24.244 -4.147 1.00 32.41 ? 479 HOH H O 1 HETATM 2721 O O . HOH M 10 . ? 13.342 22.632 10.420 1.00 38.22 ? 480 HOH H O 1 HETATM 2722 O O . HOH M 10 . ? 1.354 21.655 12.078 1.00 26.70 ? 481 HOH H O 1 HETATM 2723 O O . HOH M 10 . ? -4.238 23.855 3.347 1.00 26.87 ? 482 HOH H O 1 HETATM 2724 O O . HOH M 10 . ? -6.546 22.432 2.067 1.00 34.32 ? 483 HOH H O 1 HETATM 2725 O O . HOH M 10 . ? -3.364 9.412 -6.992 1.00 37.74 ? 484 HOH H O 1 HETATM 2726 O O . HOH M 10 . ? -0.750 3.055 20.444 1.00 36.41 ? 485 HOH H O 1 HETATM 2727 O O . HOH M 10 . ? -7.172 -6.144 7.626 1.00 31.13 ? 486 HOH H O 1 HETATM 2728 O O . HOH M 10 . ? -8.568 -8.566 6.707 1.00 63.98 ? 487 HOH H O 1 HETATM 2729 O O . HOH M 10 . ? -10.210 7.765 -6.769 1.00 58.09 ? 488 HOH H O 1 HETATM 2730 O O . HOH M 10 . ? 11.659 9.991 16.901 1.00 47.02 ? 489 HOH H O 1 HETATM 2731 O O . HOH M 10 . ? 16.180 20.982 5.715 1.00 32.93 ? 490 HOH H O 1 HETATM 2732 O O . HOH M 10 . ? -7.950 3.948 27.827 1.00 27.24 ? 491 HOH H O 1 HETATM 2733 O O . HOH M 10 . ? 4.335 2.692 -7.252 1.00 36.59 ? 492 HOH H O 1 HETATM 2734 O O . HOH M 10 . ? 19.431 -1.395 10.031 1.00 43.26 ? 493 HOH H O 1 HETATM 2735 O O . HOH M 10 . ? 0.468 -12.343 18.161 1.00 46.13 ? 494 HOH H O 1 HETATM 2736 O O . HOH M 10 . ? 4.795 8.221 -12.747 1.00 48.40 ? 495 HOH H O 1 HETATM 2737 O O . HOH M 10 . ? 2.403 8.244 -10.997 1.00 40.59 ? 496 HOH H O 1 HETATM 2738 O O . HOH M 10 . ? -10.729 25.966 14.286 1.00 38.38 ? 497 HOH H O 1 HETATM 2739 O O . HOH M 10 . ? -13.222 27.266 14.598 1.00 44.92 ? 498 HOH H O 1 HETATM 2740 O O . HOH M 10 . ? -14.497 16.733 -4.755 1.00 42.26 ? 499 HOH H O 1 HETATM 2741 O O . HOH M 10 . ? -0.886 13.367 -8.286 1.00 50.19 ? 500 HOH H O 1 HETATM 2742 O O . HOH M 10 . ? -10.483 3.092 1.797 1.00 41.89 ? 501 HOH H O 1 HETATM 2743 O O . HOH M 10 . ? 5.943 -12.874 4.226 1.00 48.40 ? 502 HOH H O 1 HETATM 2744 O O . HOH M 10 . ? 4.661 -13.890 2.149 1.00 49.15 ? 503 HOH H O 1 HETATM 2745 O O . HOH M 10 . ? 4.602 -12.585 0.042 1.00 27.62 ? 504 HOH H O 1 HETATM 2746 O O . HOH M 10 . ? -2.580 -7.677 23.085 1.00 35.93 ? 505 HOH H O 1 HETATM 2747 O O . HOH M 10 . ? -7.897 -4.595 27.235 1.00 37.18 ? 506 HOH H O 1 HETATM 2748 O O . HOH M 10 . ? 4.914 28.868 -1.308 1.00 29.35 ? 507 HOH H O 1 HETATM 2749 O O . HOH M 10 . ? 5.437 32.772 -1.028 1.00 42.04 ? 508 HOH H O 1 HETATM 2750 O O . HOH M 10 . ? 15.156 12.786 -8.076 1.00 31.61 ? 509 HOH H O 1 HETATM 2751 O O . HOH M 10 . ? 6.986 25.523 9.385 1.00 32.85 ? 510 HOH H O 1 HETATM 2752 O O . HOH M 10 . ? 8.510 33.098 13.453 1.00 30.73 ? 511 HOH H O 1 HETATM 2753 O O . HOH M 10 . ? -2.200 -8.120 18.649 1.00 38.89 ? 512 HOH H O 1 HETATM 2754 O O . HOH M 10 . ? 7.377 -5.196 19.448 1.00 36.56 ? 513 HOH H O 1 HETATM 2755 O O . HOH M 10 . ? 4.459 -9.664 17.054 1.00 38.28 ? 514 HOH H O 1 HETATM 2756 O O . HOH M 10 . ? 6.845 -8.133 20.190 1.00 37.74 ? 515 HOH H O 1 HETATM 2757 O O . HOH M 10 . ? 25.223 1.597 5.204 1.00 38.10 ? 516 HOH H O 1 HETATM 2758 O O . HOH M 10 . ? 1.246 -13.301 11.651 1.00 50.13 ? 517 HOH H O 1 HETATM 2759 O O . HOH M 10 . ? -1.971 3.843 23.754 1.00 37.04 ? 518 HOH H O 1 HETATM 2760 O O . HOH M 10 . ? 23.126 17.773 -6.149 1.00 54.67 ? 519 HOH H O 1 HETATM 2761 O O . HOH M 10 . ? 7.217 31.636 -3.486 1.00 44.91 ? 520 HOH H O 1 HETATM 2762 O O . HOH M 10 . ? -3.760 6.276 29.804 1.00 49.33 ? 521 HOH H O 1 HETATM 2763 O O . HOH M 10 . ? 18.021 18.956 -2.128 1.00 53.32 ? 522 HOH H O 1 HETATM 2764 O O . HOH M 10 . ? -8.485 31.863 10.790 1.00 60.19 ? 523 HOH H O 1 HETATM 2765 O O . HOH M 10 . ? -9.438 27.242 18.740 1.00 38.93 ? 524 HOH H O 1 HETATM 2766 O O . HOH M 10 . ? 2.650 18.418 -8.371 1.00 38.23 ? 525 HOH H O 1 HETATM 2767 O O . HOH M 10 . ? 15.330 21.648 -1.384 1.00 44.34 ? 526 HOH H O 1 HETATM 2768 O O . HOH M 10 . ? -0.599 9.997 -7.751 1.00 46.64 ? 527 HOH H O 1 HETATM 2769 O O . HOH M 10 . ? 10.102 -2.506 22.456 1.00 33.21 ? 528 HOH H O 1 HETATM 2770 O O . HOH M 10 . ? 19.540 19.620 4.795 1.00 53.41 ? 529 HOH H O 1 HETATM 2771 O O . HOH M 10 . ? 9.343 8.752 15.559 1.00 42.69 ? 530 HOH H O 1 HETATM 2772 O O . HOH M 10 . ? 0.128 15.491 29.152 1.00 39.66 ? 531 HOH H O 1 HETATM 2773 O O . HOH M 10 . ? 15.201 10.321 -8.153 1.00 57.80 ? 532 HOH H O 1 HETATM 2774 O O . HOH M 10 . ? 2.926 33.982 7.929 1.00 50.24 ? 533 HOH H O 1 HETATM 2775 O O . HOH M 10 . ? 14.150 24.109 7.217 1.00 38.99 ? 534 HOH H O 1 HETATM 2776 O O . HOH M 10 . ? 4.479 -14.221 18.288 1.00 58.60 ? 535 HOH H O 1 HETATM 2777 O O . HOH M 10 . ? 11.828 11.915 10.929 1.00 40.61 ? 536 HOH H O 1 HETATM 2778 O O . HOH M 10 . ? 3.637 -9.845 21.757 1.00 43.65 ? 537 HOH H O 1 HETATM 2779 O O . HOH M 10 . ? 11.063 -1.162 24.612 1.00 41.85 ? 538 HOH H O 1 HETATM 2780 O O . HOH M 10 . ? 19.594 4.565 4.818 1.00 50.58 ? 539 HOH H O 1 HETATM 2781 O O . HOH M 10 . ? -10.212 -6.896 25.477 1.00 51.36 ? 540 HOH H O 1 HETATM 2782 O O . HOH M 10 . ? 12.827 24.338 -2.760 1.00 53.07 ? 541 HOH H O 1 HETATM 2783 O O . HOH M 10 . ? -2.022 26.528 22.865 1.00 46.46 ? 542 HOH H O 1 HETATM 2784 O O . HOH M 10 . ? -6.287 -0.006 -7.810 1.00 41.15 ? 543 HOH H O 1 HETATM 2785 O O . HOH M 10 . ? 13.631 28.508 6.098 1.00 51.88 ? 544 HOH H O 1 HETATM 2786 O O . HOH M 10 . ? -3.196 -8.902 20.661 1.00 46.36 ? 545 HOH H O 1 HETATM 2787 O O . HOH M 10 . ? 9.213 -0.776 -4.830 1.00 40.49 ? 546 HOH H O 1 HETATM 2788 O O . HOH M 10 . ? 2.921 -0.293 32.083 1.00 43.03 ? 547 HOH H O 1 HETATM 2789 O O . HOH N 10 . ? 6.268 -7.755 31.431 1.00 24.01 ? 201 HOH D O 1 HETATM 2790 O O . HOH N 10 . ? -8.064 -6.243 37.142 1.00 40.40 ? 202 HOH D O 1 HETATM 2791 O O . HOH N 10 . ? -5.515 -0.586 36.973 1.00 59.39 ? 203 HOH D O 1 HETATM 2792 O O . HOH N 10 . ? 15.754 -7.152 30.793 1.00 51.45 ? 204 HOH D O 1 HETATM 2793 O O . HOH N 10 . ? 14.992 -5.844 37.239 1.00 37.09 ? 205 HOH D O 1 HETATM 2794 O O . HOH N 10 . ? 0.519 -20.291 29.142 1.00 64.90 ? 206 HOH D O 1 HETATM 2795 O O . HOH N 10 . ? -5.429 -11.450 30.850 1.00 43.11 ? 207 HOH D O 1 HETATM 2796 O O . HOH N 10 . ? -6.202 -6.879 33.517 1.00 32.98 ? 208 HOH D O 1 HETATM 2797 O O . HOH N 10 . ? 2.003 -17.390 36.171 1.00 35.79 ? 209 HOH D O 1 HETATM 2798 O O . HOH N 10 . ? 1.372 -15.087 36.817 1.00 43.16 ? 210 HOH D O 1 HETATM 2799 O O . HOH N 10 . ? 5.630 -1.536 38.771 1.00 44.09 ? 211 HOH D O 1 HETATM 2800 O O . HOH N 10 . ? -3.047 -9.213 33.949 1.00 40.87 ? 212 HOH D O 1 HETATM 2801 O O . HOH N 10 . ? 22.498 -8.654 42.841 1.00 42.74 ? 213 HOH D O 1 HETATM 2802 O O . HOH N 10 . ? 8.267 -11.386 37.992 1.00 33.39 ? 214 HOH D O 1 HETATM 2803 O O . HOH N 10 . ? 1.154 -9.747 41.174 1.00 38.77 ? 215 HOH D O 1 HETATM 2804 O O . HOH N 10 . ? 10.697 -17.082 32.795 1.00 45.59 ? 216 HOH D O 1 HETATM 2805 O O . HOH N 10 . ? -7.518 -10.934 30.541 1.00 47.96 ? 217 HOH D O 1 HETATM 2806 O O . HOH N 10 . ? -9.887 -6.559 34.903 1.00 48.47 ? 218 HOH D O 1 HETATM 2807 O O . HOH N 10 . ? 3.902 -21.492 35.976 1.00 62.67 ? 219 HOH D O 1 HETATM 2808 O O . HOH N 10 . ? 8.969 -14.597 41.478 1.00 41.86 ? 220 HOH D O 1 HETATM 2809 O O . HOH N 10 . ? 14.138 -8.495 43.156 1.00 50.42 ? 221 HOH D O 1 HETATM 2810 O O . HOH N 10 . ? 20.777 -10.850 35.870 1.00 45.51 ? 222 HOH D O 1 HETATM 2811 O O . HOH N 10 . ? 15.010 -5.953 33.238 1.00 54.59 ? 223 HOH D O 1 HETATM 2812 O O . HOH N 10 . ? -1.593 -11.666 33.025 1.00 59.34 ? 224 HOH D O 1 HETATM 2813 O O . HOH N 10 . ? 3.664 -3.297 40.825 1.00 69.48 ? 225 HOH D O 1 HETATM 2814 O O . HOH N 10 . ? 1.135 -22.671 33.586 1.00 56.31 ? 226 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 THR 1 -5 ? ? ? L . n A 1 2 PHE 2 -4 ? ? ? L . n A 1 3 GLY 3 -3 ? ? ? L . n A 1 4 SER 4 -2 ? ? ? L . n A 1 5 GLY 5 -1 ? ? ? L . n A 1 6 GLU 6 0 ? ? ? L . n A 1 7 ALA 7 1 1 ALA ALA L B n A 1 8 ASP 8 1 1 ASP ASP L A n A 1 9 CYS 9 1 1 CYS CYS L . n A 1 10 GLY 10 2 2 GLY GLY L . n A 1 11 LEU 11 3 3 LEU LEU L . n A 1 12 ARG 12 4 4 ARG ARG L . n A 1 13 PRO 13 5 5 PRO PRO L . n A 1 14 LEU 14 6 6 LEU LEU L . n A 1 15 PHE 15 7 7 PHE PHE L . n A 1 16 GLU 16 8 8 GLU GLU L . n A 1 17 LYS 17 9 9 LYS LYS L . n A 1 18 LYS 18 10 10 LYS LYS L . n A 1 19 SER 19 11 11 SER SER L . n A 1 20 LEU 20 12 12 LEU LEU L . n A 1 21 GLU 21 13 13 GLU GLU L . n A 1 22 ASP 22 14 14 ASP ASP L . n A 1 23 LYS 23 14 14 LYS LYS L A n A 1 24 THR 24 14 14 THR THR L B n A 1 25 GLU 25 14 14 GLU GLU L C n A 1 26 ARG 26 14 14 ARG ARG L D n A 1 27 GLU 27 14 14 GLU GLU L E n A 1 28 LEU 28 14 14 LEU LEU L F n A 1 29 LEU 29 14 14 LEU LEU L G n A 1 30 GLU 30 14 14 GLU GLU L H n A 1 31 SER 31 14 14 SER SER L I n A 1 32 TYR 32 14 14 TYR TYR L J n A 1 33 ILE 33 14 14 ILE ILE L K n A 1 34 ASP 34 15 ? ? ? L . n A 1 35 GLY 35 16 ? ? ? L . n A 1 36 ARG 36 17 ? ? ? L . n B 2 1 ILE 1 16 16 ILE ILE H . n B 2 2 VAL 2 17 17 VAL VAL H . n B 2 3 GLU 3 18 18 GLU GLU H . n B 2 4 GLY 4 19 19 GLY GLY H . n B 2 5 SER 5 20 20 SER SER H . n B 2 6 ASP 6 21 21 ASP ASP H . n B 2 7 ALA 7 22 22 ALA ALA H . n B 2 8 GLU 8 23 23 GLU GLU H . n B 2 9 ILE 9 24 24 ILE ILE H . n B 2 10 GLY 10 25 25 GLY GLY H . n B 2 11 MET 11 26 26 MET MET H . n B 2 12 SER 12 27 27 SER SER H . n B 2 13 PRO 13 28 28 PRO PRO H . n B 2 14 TRP 14 29 29 TRP TRP H . n B 2 15 GLN 15 30 30 GLN GLN H . n B 2 16 VAL 16 31 31 VAL VAL H . n B 2 17 MET 17 32 32 MET MET H . n B 2 18 LEU 18 33 33 LEU LEU H . n B 2 19 PHE 19 34 34 PHE PHE H . n B 2 20 ARG 20 35 35 ARG ARG H . n B 2 21 LYS 21 36 36 LYS LYS H . n B 2 22 SER 22 36 36 SER SER H A n B 2 23 PRO 23 37 37 PRO PRO H . n B 2 24 GLN 24 38 38 GLN GLN H . n B 2 25 GLU 25 39 39 GLU GLU H . n B 2 26 LEU 26 40 40 LEU LEU H . n B 2 27 LEU 27 41 41 LEU LEU H . n B 2 28 CYS 28 42 42 CYS CYS H . n B 2 29 GLY 29 43 43 GLY GLY H . n B 2 30 ALA 30 44 44 ALA ALA H . n B 2 31 SER 31 45 45 SER SER H . n B 2 32 LEU 32 46 46 LEU LEU H . n B 2 33 ILE 33 47 47 ILE ILE H . n B 2 34 SER 34 48 48 SER SER H . n B 2 35 ASP 35 49 49 ASP ASP H . n B 2 36 ARG 36 50 50 ARG ARG H . n B 2 37 TRP 37 51 51 TRP TRP H . n B 2 38 VAL 38 52 52 VAL VAL H . n B 2 39 LEU 39 53 53 LEU LEU H . n B 2 40 THR 40 54 54 THR THR H . n B 2 41 ALA 41 55 55 ALA ALA H . n B 2 42 ALA 42 56 56 ALA ALA H . n B 2 43 HIS 43 57 57 HIS HIS H . n B 2 44 CYS 44 58 58 CYS CYS H . n B 2 45 LEU 45 59 59 LEU LEU H . n B 2 46 LEU 46 60 60 LEU LEU H . n B 2 47 TYR 47 60 60 TYR TYR H A n B 2 48 PRO 48 60 60 PRO PRO H B n B 2 49 PRO 49 60 60 PRO PRO H C n B 2 50 TRP 50 60 60 TRP TRP H D n B 2 51 ASP 51 60 60 ASP ASP H E n B 2 52 LYS 52 60 60 LYS LYS H F n B 2 53 ASN 53 60 60 ASN ASN H G n B 2 54 PHE 54 60 60 PHE PHE H H n B 2 55 THR 55 60 60 THR THR H I n B 2 56 GLU 56 61 61 GLU GLU H . n B 2 57 ASN 57 62 62 ASN ASN H . n B 2 58 ASP 58 63 63 ASP ASP H . n B 2 59 LEU 59 64 64 LEU LEU H . n B 2 60 LEU 60 65 65 LEU LEU H . n B 2 61 VAL 61 66 66 VAL VAL H . n B 2 62 ARG 62 67 67 ARG ARG H . n B 2 63 ILE 63 68 68 ILE ILE H . n B 2 64 GLY 64 69 69 GLY GLY H . n B 2 65 LYS 65 70 70 LYS LYS H . n B 2 66 HIS 66 71 71 HIS HIS H . n B 2 67 SER 67 72 72 SER SER H . n B 2 68 ARG 68 73 73 ARG ARG H . n B 2 69 THR 69 74 74 THR THR H . n B 2 70 ARG 70 75 75 ARG ARG H . n B 2 71 TYR 71 76 76 TYR TYR H . n B 2 72 GLU 72 77 77 GLU GLU H . n B 2 73 ARG 73 77 77 ARG ARG H A n B 2 74 ASN 74 78 78 ASN ASN H . n B 2 75 ILE 75 79 79 ILE ILE H . n B 2 76 GLU 76 80 80 GLU GLU H . n B 2 77 LYS 77 81 81 LYS LYS H . n B 2 78 ILE 78 82 82 ILE ILE H . n B 2 79 SER 79 83 83 SER SER H . n B 2 80 MET 80 84 84 MET MET H . n B 2 81 LEU 81 85 85 LEU LEU H . n B 2 82 GLU 82 86 86 GLU GLU H . n B 2 83 LYS 83 87 87 LYS LYS H . n B 2 84 ILE 84 88 88 ILE ILE H . n B 2 85 TYR 85 89 89 TYR TYR H . n B 2 86 ILE 86 90 90 ILE ILE H . n B 2 87 HIS 87 91 91 HIS HIS H . n B 2 88 PRO 88 92 92 PRO PRO H . n B 2 89 ARG 89 93 93 ARG ARG H . n B 2 90 TYR 90 94 94 TYR TYR H . n B 2 91 ASN 91 95 95 ASN ASN H . n B 2 92 TRP 92 96 96 TRP TRP H . n B 2 93 ARG 93 97 97 ARG ARG H . n B 2 94 GLU 94 97 97 GLU GLU H A n B 2 95 ASN 95 98 98 ASN ASN H . n B 2 96 LEU 96 99 99 LEU LEU H . n B 2 97 ASP 97 100 100 ASP ASP H . n B 2 98 ARG 98 101 101 ARG ARG H . n B 2 99 ASP 99 102 102 ASP ASP H . n B 2 100 ILE 100 103 103 ILE ILE H . n B 2 101 ALA 101 104 104 ALA ALA H . n B 2 102 LEU 102 105 105 LEU LEU H . n B 2 103 MET 103 106 106 MET MET H . n B 2 104 LYS 104 107 107 LYS LYS H . n B 2 105 LEU 105 108 108 LEU LEU H . n B 2 106 LYS 106 109 109 LYS LYS H . n B 2 107 LYS 107 110 110 LYS LYS H . n B 2 108 PRO 108 111 111 PRO PRO H . n B 2 109 VAL 109 112 112 VAL VAL H . n B 2 110 ALA 110 113 113 ALA ALA H . n B 2 111 PHE 111 114 114 PHE PHE H . n B 2 112 SER 112 115 115 SER SER H . n B 2 113 ASP 113 116 116 ASP ASP H . n B 2 114 TYR 114 117 117 TYR TYR H . n B 2 115 ILE 115 118 118 ILE ILE H . n B 2 116 HIS 116 119 119 HIS HIS H . n B 2 117 PRO 117 120 120 PRO PRO H . n B 2 118 VAL 118 121 121 VAL VAL H . n B 2 119 CYS 119 122 122 CYS CYS H . n B 2 120 LEU 120 123 123 LEU LEU H . n B 2 121 PRO 121 124 124 PRO PRO H . n B 2 122 ASP 122 125 125 ASP ASP H . n B 2 123 ARG 123 126 126 ARG ARG H . n B 2 124 GLU 124 127 127 GLU GLU H . n B 2 125 THR 125 128 128 THR THR H . n B 2 126 ALA 126 129 129 ALA ALA H . n B 2 127 ALA 127 129 129 ALA ALA H A n B 2 128 SER 128 129 129 SER SER H B n B 2 129 LEU 129 129 129 LEU LEU H C n B 2 130 LEU 130 130 130 LEU LEU H . n B 2 131 GLN 131 131 131 GLN GLN H . n B 2 132 ALA 132 132 132 ALA ALA H . n B 2 133 GLY 133 133 133 GLY GLY H . n B 2 134 TYR 134 134 134 TYR TYR H . n B 2 135 LYS 135 135 135 LYS LYS H . n B 2 136 GLY 136 136 136 GLY GLY H . n B 2 137 ARG 137 137 137 ARG ARG H . n B 2 138 VAL 138 138 138 VAL VAL H . n B 2 139 THR 139 139 139 THR THR H . n B 2 140 GLY 140 140 140 GLY GLY H . n B 2 141 TRP 141 141 141 TRP TRP H . n B 2 142 GLY 142 142 142 GLY GLY H . n B 2 143 ASN 143 143 143 ASN ASN H . n B 2 144 LEU 144 144 144 LEU LEU H . n B 2 145 LYS 145 145 145 LYS LYS H . n B 2 146 GLU 146 146 146 GLU GLU H . n B 2 147 THR 147 147 147 THR THR H . n B 2 148 TRP 148 147 ? ? ? H A n B 2 149 THR 149 147 ? ? ? H B n B 2 150 ALA 150 147 ? ? ? H C n B 2 151 ASN 151 147 ? ? ? H D n B 2 152 VAL 152 147 ? ? ? H E n B 2 153 GLY 153 147 ? ? ? H F n B 2 154 LYS 154 147 ? ? ? H G n B 2 155 GLY 155 147 ? ? ? H H n B 2 156 GLN 156 151 151 GLN GLN H . n B 2 157 PRO 157 152 152 PRO PRO H . n B 2 158 SER 158 153 153 SER SER H . n B 2 159 VAL 159 154 154 VAL VAL H . n B 2 160 LEU 160 155 155 LEU LEU H . n B 2 161 GLN 161 156 156 GLN GLN H . n B 2 162 VAL 162 157 157 VAL VAL H . n B 2 163 VAL 163 158 158 VAL VAL H . n B 2 164 ASN 164 159 159 ASN ASN H . n B 2 165 LEU 165 160 160 LEU LEU H . n B 2 166 PRO 166 161 161 PRO PRO H . n B 2 167 ILE 167 162 162 ILE ILE H . n B 2 168 VAL 168 163 163 VAL VAL H . n B 2 169 GLU 169 164 164 GLU GLU H . n B 2 170 ARG 170 165 165 ARG ARG H . n B 2 171 PRO 171 166 166 PRO PRO H . n B 2 172 VAL 172 167 167 VAL VAL H . n B 2 173 CYS 173 168 168 CYS CYS H . n B 2 174 LYS 174 169 169 LYS LYS H . n B 2 175 ASP 175 170 170 ASP ASP H . n B 2 176 SER 176 171 171 SER SER H . n B 2 177 THR 177 172 172 THR THR H . n B 2 178 ARG 178 173 173 ARG ARG H . n B 2 179 ILE 179 174 174 ILE ILE H . n B 2 180 ARG 180 175 175 ARG ARG H . n B 2 181 ILE 181 176 176 ILE ILE H . n B 2 182 THR 182 177 177 THR THR H . n B 2 183 ASP 183 178 178 ASP ASP H . n B 2 184 ASN 184 179 179 ASN ASN H . n B 2 185 MET 185 180 180 MET MET H . n B 2 186 PHE 186 181 181 PHE PHE H . n B 2 187 CYS 187 182 182 CYS CYS H . n B 2 188 ALA 188 183 183 ALA ALA H . n B 2 189 GLY 189 184 184 GLY GLY H . n B 2 190 TYR 190 184 184 TYR TYR H A n B 2 191 LYS 191 185 185 LYS LYS H . n B 2 192 PRO 192 186 186 PRO PRO H . n B 2 193 ASP 193 186 186 ASP ASP H A n B 2 194 GLU 194 186 186 GLU GLU H B n B 2 195 GLY 195 186 186 GLY GLY H C n B 2 196 LYS 196 186 186 LYS LYS H D n B 2 197 ARG 197 187 187 ARG ARG H . n B 2 198 GLY 198 188 188 GLY GLY H . n B 2 199 ASP 199 189 189 ASP ASP H . n B 2 200 ALA 200 190 190 ALA ALA H . n B 2 201 CYS 201 191 191 CYS CYS H . n B 2 202 GLU 202 192 192 GLU GLU H . n B 2 203 GLY 203 193 193 GLY GLY H . n B 2 204 ASP 204 194 194 ASP ASP H . n B 2 205 SER 205 195 195 SER SER H . n B 2 206 GLY 206 196 196 GLY GLY H . n B 2 207 GLY 207 197 197 GLY GLY H . n B 2 208 PRO 208 198 198 PRO PRO H . n B 2 209 PHE 209 199 199 PHE PHE H . n B 2 210 VAL 210 200 200 VAL VAL H . n B 2 211 MET 211 201 201 MET MET H . n B 2 212 LYS 212 202 202 LYS LYS H . n B 2 213 SER 213 203 203 SER SER H . n B 2 214 PRO 214 204 204 PRO PRO H . n B 2 215 PHE 215 204 204 PHE PHE H A n B 2 216 ASN 216 204 204 ASN ASN H B n B 2 217 ASN 217 205 205 ASN ASN H . n B 2 218 ARG 218 206 206 ARG ARG H . n B 2 219 TRP 219 207 207 TRP TRP H . n B 2 220 TYR 220 208 208 TYR TYR H . n B 2 221 GLN 221 209 209 GLN GLN H . n B 2 222 MET 222 210 210 MET MET H . n B 2 223 GLY 223 211 211 GLY GLY H . n B 2 224 ILE 224 212 212 ILE ILE H . n B 2 225 VAL 225 213 213 VAL VAL H . n B 2 226 SER 226 214 214 SER SER H . n B 2 227 TRP 227 215 215 TRP TRP H . n B 2 228 GLY 228 216 216 GLY GLY H . n B 2 229 GLU 229 217 217 GLU GLU H . n B 2 230 GLY 230 219 219 GLY GLY H . n B 2 231 CYS 231 220 220 CYS CYS H . n B 2 232 ASP 232 221 221 ASP ASP H A n B 2 233 ARG 233 221 221 ARG ARG H . n B 2 234 ASP 234 222 222 ASP ASP H . n B 2 235 GLY 235 223 223 GLY GLY H . n B 2 236 LYS 236 224 224 LYS LYS H . n B 2 237 TYR 237 225 225 TYR TYR H . n B 2 238 GLY 238 226 226 GLY GLY H . n B 2 239 PHE 239 227 227 PHE PHE H . n B 2 240 TYR 240 228 228 TYR TYR H . n B 2 241 THR 241 229 229 THR THR H . n B 2 242 HIS 242 230 230 HIS HIS H . n B 2 243 VAL 243 231 231 VAL VAL H . n B 2 244 PHE 244 232 232 PHE PHE H . n B 2 245 ARG 245 233 233 ARG ARG H . n B 2 246 LEU 246 234 234 LEU LEU H . n B 2 247 LYS 247 235 235 LYS LYS H . n B 2 248 LYS 248 236 236 LYS LYS H . n B 2 249 TRP 249 237 237 TRP TRP H . n B 2 250 ILE 250 238 238 ILE ILE H . n B 2 251 GLN 251 239 239 GLN GLN H . n B 2 252 LYS 252 240 240 LYS LYS H . n B 2 253 VAL 253 241 241 VAL VAL H . n B 2 254 ILE 254 242 242 ILE ILE H . n B 2 255 ASP 255 243 243 ASP ASP H . n B 2 256 GLN 256 244 244 GLN GLN H . n B 2 257 PHE 257 245 245 PHE PHE H . n B 2 258 GLY 258 246 246 GLY GLY H . n B 2 259 GLU 259 247 ? ? ? H . 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 E # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id B _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,K,L,M,N # 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)' 3280 ? 1 MORE -14 ? 1 'SSA (A^2)' 14870 ? # _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 OD1 ? A ASP 8 ? L ASP 1 A 1_555 ZN ? D ZN . ? L ZN 101 ? 1_555 NE2 ? B HIS 116 ? H HIS 119 ? 1_555 112.0 ? 2 OD1 ? B ASP 51 ? H ASP 60 E 1_555 ZN ? H ZN . ? H ZN 304 ? 1_555 OD2 ? B ASP 51 ? H ASP 60 E 1_555 55.0 ? 3 O ? B ARG 233 ? H ARG 221 ? 1_555 NA ? G NA . ? H NA 303 ? 1_555 O ? M HOH . ? H HOH 418 ? 1_555 107.2 ? 4 O ? B ARG 233 ? H ARG 221 ? 1_555 NA ? G NA . ? H NA 303 ? 1_555 O ? M HOH . ? H HOH 464 ? 1_555 135.0 ? 5 O ? M HOH . ? H HOH 418 ? 1_555 NA ? G NA . ? H NA 303 ? 1_555 O ? M HOH . ? H HOH 464 ? 1_555 85.6 ? 6 O ? B ARG 233 ? H ARG 221 ? 1_555 NA ? G NA . ? H NA 303 ? 1_555 O ? B LYS 236 ? H LYS 224 ? 1_555 84.6 ? 7 O ? M HOH . ? H HOH 418 ? 1_555 NA ? G NA . ? H NA 303 ? 1_555 O ? B LYS 236 ? H LYS 224 ? 1_555 145.8 ? 8 O ? M HOH . ? H HOH 464 ? 1_555 NA ? G NA . ? H NA 303 ? 1_555 O ? B LYS 236 ? H LYS 224 ? 1_555 65.0 ? 9 O6 ? C DG 1 ? D DG 1 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 14 ? D DG 14 ? 1_555 100.6 ? 10 O6 ? C DG 1 ? D DG 1 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 5 ? D DG 5 ? 1_555 116.6 ? 11 O6 ? C DG 14 ? D DG 14 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 5 ? D DG 5 ? 1_555 98.1 ? 12 O6 ? C DG 1 ? D DG 1 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 15 ? D DG 15 ? 1_555 75.3 ? 13 O6 ? C DG 14 ? D DG 14 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 15 ? D DG 15 ? 1_555 79.5 ? 14 O6 ? C DG 5 ? D DG 5 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 15 ? D DG 15 ? 1_555 168.1 ? 15 O6 ? C DG 1 ? D DG 1 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 11 ? D DG 11 ? 1_555 165.9 ? 16 O6 ? C DG 14 ? D DG 14 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 11 ? D DG 11 ? 1_555 66.3 ? 17 O6 ? C DG 5 ? D DG 5 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 11 ? D DG 11 ? 1_555 72.2 ? 18 O6 ? C DG 15 ? D DG 15 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 11 ? D DG 11 ? 1_555 96.4 ? 19 O6 ? C DG 1 ? D DG 1 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 10 ? D DG 10 ? 1_555 118.7 ? 20 O6 ? C DG 14 ? D DG 14 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 10 ? D DG 10 ? 1_555 122.1 ? 21 O6 ? C DG 5 ? D DG 5 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 10 ? D DG 10 ? 1_555 99.8 ? 22 O6 ? C DG 15 ? D DG 15 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 10 ? D DG 10 ? 1_555 72.3 ? 23 O6 ? C DG 11 ? D DG 11 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 10 ? D DG 10 ? 1_555 67.9 ? 24 O6 ? C DG 1 ? D DG 1 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 6 ? D DG 6 ? 1_555 76.1 ? 25 O6 ? C DG 14 ? D DG 14 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 6 ? D DG 6 ? 1_555 166.7 ? 26 O6 ? C DG 5 ? D DG 5 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 6 ? D DG 6 ? 1_555 72.6 ? 27 O6 ? C DG 15 ? D DG 15 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 6 ? D DG 6 ? 1_555 111.5 ? 28 O6 ? C DG 11 ? D DG 11 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 6 ? D DG 6 ? 1_555 117.8 ? 29 O6 ? C DG 10 ? D DG 10 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 6 ? D DG 6 ? 1_555 69.8 ? 30 O6 ? C DG 1 ? D DG 1 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 2 ? D DG 2 ? 1_555 68.2 ? 31 O6 ? C DG 14 ? D DG 14 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 2 ? D DG 2 ? 1_555 66.7 ? 32 O6 ? C DG 5 ? D DG 5 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 2 ? D DG 2 ? 1_555 65.3 ? 33 O6 ? C DG 15 ? D DG 15 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 2 ? D DG 2 ? 1_555 123.1 ? 34 O6 ? C DG 11 ? D DG 11 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 2 ? D DG 2 ? 1_555 108.9 ? 35 O6 ? C DG 10 ? D DG 10 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 2 ? D DG 2 ? 1_555 164.5 ? 36 O6 ? C DG 6 ? D DG 6 ? 1_555 K ? K K . ? D K 101 ? 1_555 O6 ? C DG 2 ? D DG 2 ? 1_555 100.3 ? # 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 2012-07-18 2 'Structure model' 1 1 2012-09-26 3 'Structure model' 1 2 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 ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' Other # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal CrystalClear 'data collection' . ? 1 PHASES phasing . ? 2 CNS refinement . ? 3 HKL-2000 'data reduction' . ? 4 HKL-2000 'data scaling' . ? 5 # _pdbx_entry_details.entry_id 4DII _pdbx_entry_details.nonpolymer_details ;THE INHIBITOR IS COVALENTLY CONNECTED TO ACTIVE_SITE RESIDUES: 1) VIA A HEMIKETAL GROUP TO OG SER 195 IN CHAIN H 2) VIA A METHYLENE GROUP TO NE2 HIS 57 IN CHAIN H ; _pdbx_entry_details.sequence_details ? _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 O D HOH 207 ? ? O D HOH 217 ? ? 2.17 2 1 OG H SER 195 ? ? O2 H 0G6 301 ? ? 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 NE H ARG 75 ? ? CZ H ARG 75 ? ? NH1 H ARG 75 ? ? 123.70 120.30 3.40 0.50 N 2 1 NE H ARG 126 ? ? CZ H ARG 126 ? ? NH2 H ARG 126 ? ? 117.02 120.30 -3.28 0.50 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 PHE L 7 ? ? -126.09 -82.04 2 1 TYR H 60 A ? -159.37 85.01 3 1 ASN H 60 G ? -162.50 83.36 4 1 ASN H 98 ? ? -143.12 17.85 5 1 PRO H 186 ? ? -26.44 -22.44 6 1 ASP H 186 A ? -163.68 34.42 7 1 GLU H 186 B ? -66.04 17.62 # 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 THR -5 ? A THR 1 2 1 Y 1 L PHE -4 ? A PHE 2 3 1 Y 1 L GLY -3 ? A GLY 3 4 1 Y 1 L SER -2 ? A SER 4 5 1 Y 1 L GLY -1 ? A GLY 5 6 1 Y 1 L GLU 0 ? A GLU 6 7 1 Y 1 L ASP 15 ? A ASP 34 8 1 Y 1 L GLY 16 ? A GLY 35 9 1 Y 1 L ARG 17 ? A ARG 36 10 1 Y 1 H TRP 147 A B TRP 148 11 1 Y 1 H THR 147 B B THR 149 12 1 Y 1 H ALA 147 C B ALA 150 13 1 Y 1 H ASN 147 D B ASN 151 14 1 Y 1 H VAL 147 E B VAL 152 15 1 Y 1 H GLY 147 F B GLY 153 16 1 Y 1 H LYS 147 G B LYS 154 17 1 Y 1 H GLY 147 H B GLY 155 18 1 Y 1 H GLU 247 ? B GLU 259 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 'ZINC ION' ZN 5 'D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide' 0G6 6 N-ACETYL-D-GLUCOSAMINE NAG 7 'SODIUM ION' NA 8 'CHLORIDE ION' CL 9 'POTASSIUM ION' K 10 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 ZN 1 101 1031 ZN ZN L . E 5 0G6 1 301 1 0G6 0G6 H . F 6 NAG 1 302 2 NAG NAG H . G 7 NA 1 303 417 NA NA H . H 4 ZN 1 304 1032 ZN ZN H . I 8 CL 1 305 418 CL CL H . J 8 CL 1 306 419 CL CL H . K 9 K 1 101 416 K K D . L 10 HOH 1 201 1047 HOH HOH L . L 10 HOH 2 202 1057 HOH HOH L . L 10 HOH 3 203 1072 HOH HOH L . L 10 HOH 4 204 1118 HOH HOH L . L 10 HOH 5 205 1141 HOH HOH L . L 10 HOH 6 206 1151 HOH HOH L . L 10 HOH 7 207 1154 HOH HOH L . L 10 HOH 8 208 1191 HOH HOH L . L 10 HOH 9 209 1206 HOH HOH L . L 10 HOH 10 210 1185 HOH HOH L . M 10 HOH 1 401 1033 HOH HOH H . M 10 HOH 2 402 1034 HOH HOH H . M 10 HOH 3 403 1035 HOH HOH H . M 10 HOH 4 404 1036 HOH HOH H . M 10 HOH 5 405 1037 HOH HOH H . M 10 HOH 6 406 1038 HOH HOH H . M 10 HOH 7 407 1039 HOH HOH H . M 10 HOH 8 408 1041 HOH HOH H . M 10 HOH 9 409 1042 HOH HOH H . M 10 HOH 10 410 1043 HOH HOH H . M 10 HOH 11 411 1045 HOH HOH H . M 10 HOH 12 412 1046 HOH HOH H . M 10 HOH 13 413 1048 HOH HOH H . M 10 HOH 14 414 1049 HOH HOH H . M 10 HOH 15 415 1050 HOH HOH H . M 10 HOH 16 416 1051 HOH HOH H . M 10 HOH 17 417 1052 HOH HOH H . M 10 HOH 18 418 1053 HOH HOH H . M 10 HOH 19 419 1054 HOH HOH H . M 10 HOH 20 420 1055 HOH HOH H . M 10 HOH 21 421 1056 HOH HOH H . M 10 HOH 22 422 1059 HOH HOH H . M 10 HOH 23 423 1060 HOH HOH H . M 10 HOH 24 424 1061 HOH HOH H . M 10 HOH 25 425 1062 HOH HOH H . M 10 HOH 26 426 1063 HOH HOH H . M 10 HOH 27 427 1064 HOH HOH H . M 10 HOH 28 428 1065 HOH HOH H . M 10 HOH 29 429 1066 HOH HOH H . M 10 HOH 30 430 1067 HOH HOH H . M 10 HOH 31 431 1068 HOH HOH H . M 10 HOH 32 432 1069 HOH HOH H . M 10 HOH 33 433 1070 HOH HOH H . M 10 HOH 34 434 1073 HOH HOH H . M 10 HOH 35 435 1074 HOH HOH H . M 10 HOH 36 436 1075 HOH HOH H . M 10 HOH 37 437 1076 HOH HOH H . M 10 HOH 38 438 1077 HOH HOH H . M 10 HOH 39 439 1078 HOH HOH H . M 10 HOH 40 440 1079 HOH HOH H . M 10 HOH 41 441 1080 HOH HOH H . M 10 HOH 42 442 1081 HOH HOH H . M 10 HOH 43 443 1082 HOH HOH H . M 10 HOH 44 444 1083 HOH HOH H . M 10 HOH 45 445 1084 HOH HOH H . M 10 HOH 46 446 1085 HOH HOH H . M 10 HOH 47 447 1086 HOH HOH H . M 10 HOH 48 448 1087 HOH HOH H . M 10 HOH 49 449 1088 HOH HOH H . M 10 HOH 50 450 1089 HOH HOH H . M 10 HOH 51 451 1091 HOH HOH H . M 10 HOH 52 452 1092 HOH HOH H . M 10 HOH 53 453 1093 HOH HOH H . M 10 HOH 54 454 1094 HOH HOH H . M 10 HOH 55 455 1095 HOH HOH H . M 10 HOH 56 456 1096 HOH HOH H . M 10 HOH 57 457 1097 HOH HOH H . M 10 HOH 58 458 1098 HOH HOH H . M 10 HOH 59 459 1099 HOH HOH H . M 10 HOH 60 460 1100 HOH HOH H . M 10 HOH 61 461 1102 HOH HOH H . M 10 HOH 62 462 1103 HOH HOH H . M 10 HOH 63 463 1104 HOH HOH H . M 10 HOH 64 464 1105 HOH HOH H . M 10 HOH 65 465 1106 HOH HOH H . M 10 HOH 66 466 1108 HOH HOH H . M 10 HOH 67 467 1110 HOH HOH H . M 10 HOH 68 468 1111 HOH HOH H . M 10 HOH 69 469 1112 HOH HOH H . M 10 HOH 70 470 1114 HOH HOH H . M 10 HOH 71 471 1115 HOH HOH H . M 10 HOH 72 472 1116 HOH HOH H . M 10 HOH 73 473 1117 HOH HOH H . M 10 HOH 74 474 1119 HOH HOH H . M 10 HOH 75 475 1120 HOH HOH H . M 10 HOH 76 476 1121 HOH HOH H . M 10 HOH 77 477 1122 HOH HOH H . M 10 HOH 78 478 1123 HOH HOH H . M 10 HOH 79 479 1124 HOH HOH H . M 10 HOH 80 480 1126 HOH HOH H . M 10 HOH 81 481 1127 HOH HOH H . M 10 HOH 82 482 1128 HOH HOH H . M 10 HOH 83 483 1129 HOH HOH H . M 10 HOH 84 484 1130 HOH HOH H . M 10 HOH 85 485 1132 HOH HOH H . M 10 HOH 86 486 1133 HOH HOH H . M 10 HOH 87 487 1134 HOH HOH H . M 10 HOH 88 488 1135 HOH HOH H . M 10 HOH 89 489 1136 HOH HOH H . M 10 HOH 90 490 1140 HOH HOH H . M 10 HOH 91 491 1142 HOH HOH H . M 10 HOH 92 492 1143 HOH HOH H . M 10 HOH 93 493 1144 HOH HOH H . M 10 HOH 94 494 1145 HOH HOH H . M 10 HOH 95 495 1147 HOH HOH H . M 10 HOH 96 496 1148 HOH HOH H . M 10 HOH 97 497 1152 HOH HOH H . M 10 HOH 98 498 1153 HOH HOH H . M 10 HOH 99 499 1155 HOH HOH H . M 10 HOH 100 500 1157 HOH HOH H . M 10 HOH 101 501 1158 HOH HOH H . M 10 HOH 102 502 1159 HOH HOH H . M 10 HOH 103 503 1160 HOH HOH H . M 10 HOH 104 504 1161 HOH HOH H . M 10 HOH 105 505 1162 HOH HOH H . M 10 HOH 106 506 1163 HOH HOH H . M 10 HOH 107 507 1166 HOH HOH H . M 10 HOH 108 508 1167 HOH HOH H . M 10 HOH 109 509 1168 HOH HOH H . M 10 HOH 110 510 1169 HOH HOH H . M 10 HOH 111 511 1170 HOH HOH H . M 10 HOH 112 512 1171 HOH HOH H . M 10 HOH 113 513 1172 HOH HOH H . M 10 HOH 114 514 1174 HOH HOH H . M 10 HOH 115 515 1175 HOH HOH H . M 10 HOH 116 516 1176 HOH HOH H . M 10 HOH 117 517 1178 HOH HOH H . M 10 HOH 118 518 1179 HOH HOH H . M 10 HOH 119 519 1180 HOH HOH H . M 10 HOH 120 520 1181 HOH HOH H . M 10 HOH 121 521 1182 HOH HOH H . M 10 HOH 122 522 1183 HOH HOH H . M 10 HOH 123 523 1184 HOH HOH H . M 10 HOH 124 524 1186 HOH HOH H . M 10 HOH 125 525 1187 HOH HOH H . M 10 HOH 126 526 1188 HOH HOH H . M 10 HOH 127 527 1190 HOH HOH H . M 10 HOH 128 528 1194 HOH HOH H . M 10 HOH 129 529 1195 HOH HOH H . M 10 HOH 130 530 1196 HOH HOH H . M 10 HOH 131 531 1197 HOH HOH H . M 10 HOH 132 532 1198 HOH HOH H . M 10 HOH 133 533 1199 HOH HOH H . M 10 HOH 134 534 1200 HOH HOH H . M 10 HOH 135 535 1201 HOH HOH H . M 10 HOH 136 536 1202 HOH HOH H . M 10 HOH 137 537 1203 HOH HOH H . M 10 HOH 138 538 1204 HOH HOH H . M 10 HOH 139 539 1205 HOH HOH H . M 10 HOH 140 540 1208 HOH HOH H . M 10 HOH 141 541 1209 HOH HOH H . M 10 HOH 142 542 1210 HOH HOH H . M 10 HOH 143 543 1211 HOH HOH H . M 10 HOH 144 544 1212 HOH HOH H . M 10 HOH 145 545 1214 HOH HOH H . M 10 HOH 146 546 1215 HOH HOH H . M 10 HOH 147 547 1231 HOH HOH H . N 10 HOH 1 201 1058 HOH HOH D . N 10 HOH 2 202 1101 HOH HOH D . N 10 HOH 3 203 1107 HOH HOH D . N 10 HOH 4 204 1137 HOH HOH D . N 10 HOH 5 205 1138 HOH HOH D . N 10 HOH 6 206 1139 HOH HOH D . N 10 HOH 7 207 1173 HOH HOH D . N 10 HOH 8 208 1177 HOH HOH D . N 10 HOH 9 209 1189 HOH HOH D . N 10 HOH 10 210 1192 HOH HOH D . N 10 HOH 11 211 1193 HOH HOH D . N 10 HOH 12 212 1207 HOH HOH D . N 10 HOH 13 213 1213 HOH HOH D . N 10 HOH 14 214 1216 HOH HOH D . N 10 HOH 15 215 1217 HOH HOH D . N 10 HOH 16 216 1218 HOH HOH D . N 10 HOH 17 217 1219 HOH HOH D . N 10 HOH 18 218 1220 HOH HOH D . N 10 HOH 19 219 1221 HOH HOH D . N 10 HOH 20 220 1222 HOH HOH D . N 10 HOH 21 221 1223 HOH HOH D . N 10 HOH 22 222 1224 HOH HOH D . N 10 HOH 23 223 1225 HOH HOH D . N 10 HOH 24 224 1226 HOH HOH D . N 10 HOH 25 225 1228 HOH HOH D . N 10 HOH 26 226 1230 HOH HOH D . #