data_3U8O # _entry.id 3U8O # _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 3U8O RCSB RCSB068445 WWPDB D_1000068445 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3U69 . unspecified PDB 3U8R . unspecified PDB 3U8T . unspecified # _pdbx_database_status.entry_id 3U8O _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2011-10-17 _pdbx_database_status.status_code REL _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 'Figueiredo, A.C.' 1 'Clement, C.C.' 2 'Philipp, M.' 3 'Pereira, P.J.B.' 4 # _citation.id primary _citation.title 'Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors.' _citation.journal_abbrev 'Plos One' _citation.journal_volume 7 _citation.page_first e34354 _citation.page_last e34354 _citation.year 2012 _citation.journal_id_ASTM ? _citation.country US _citation.journal_id_ISSN 1932-6203 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 22457833 _citation.pdbx_database_id_DOI 10.1371/journal.pone.0034354 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Figueiredo, A.C.' 1 primary 'Clement, C.C.' 2 primary 'Zakia, S.' 3 primary 'Gingold, J.' 4 primary 'Philipp, M.' 5 primary 'Pereira, P.J.' 6 # _cell.entry_id 3U8O _cell.length_a 57.446 _cell.length_b 72.680 _cell.length_c 83.090 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _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 3U8O _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _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 'Thrombin light chain' 3517.961 1 3.4.21.5 ? ? ? 2 polymer nat 'Thrombin heavy chain' 29780.219 1 3.4.21.5 ? ? ? 3 polymer syn 'D-PHE-PRO-D-ARG-D-THR DERIVED DIRECT THROMBIN INHIBITOR' 518.609 1 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 5 non-polymer syn 'SODIUM ION' 22.990 1 ? ? ? ? 6 non-polymer syn 'IODIDE ION' 126.904 1 ? ? ? ? 7 non-polymer syn 'CHLORIDE ION' 35.453 1 ? ? ? ? 8 non-polymer syn '(4R)-2-METHYLPENTANE-2,4-DIOL' 118.174 2 ? ? ? ? 9 water nat water 18.015 444 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 'ALPHA-THROMBIN, Prothrombin' 2 'ALPHA-THROMBIN, Prothrombin' # 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 ADCGLRPLFEKKSLEDKTERELLESYIDGR ADCGLRPLFEKKSLEDKTERELLESYIDGR L ? 2 'polypeptide(L)' no no ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; H ? 3 'polypeptide(L)' no yes '(DPN)P(DAR)(DTH)(NH2)' FPRTX I ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ALA n 1 2 ASP n 1 3 CYS n 1 4 GLY n 1 5 LEU n 1 6 ARG n 1 7 PRO n 1 8 LEU n 1 9 PHE n 1 10 GLU n 1 11 LYS n 1 12 LYS n 1 13 SER n 1 14 LEU n 1 15 GLU n 1 16 ASP n 1 17 LYS n 1 18 THR n 1 19 GLU n 1 20 ARG n 1 21 GLU n 1 22 LEU n 1 23 LEU n 1 24 GLU n 1 25 SER n 1 26 TYR n 1 27 ILE n 1 28 ASP n 1 29 GLY n 1 30 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 DPN n 3 2 PRO n 3 3 DAR n 3 4 DTH n 3 5 NH2 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 construct' _pdbx_entity_src_syn.organism_common_name ? _pdbx_entity_src_syn.ncbi_taxonomy_id 32630 _pdbx_entity_src_syn.details 'synthetic DL peptide with sequence D-Phe-Pro-D-Arg-D-Thr' # 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 ADCGLRPLFEKKSLEDKTERELLESYIDGR 334 ? 2 UNP THRB_HUMAN P00734 2 ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; 364 ? 3 PDB 3U8O 3U8O 3 ? ? ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3U8O L 1 ? 30 ? P00734 334 ? 363 ? 291 320 2 2 3U8O H 1 ? 259 ? P00734 364 ? 622 ? 321 579 3 3 3U8O I 1 ? 5 ? 3U8O 1 ? 5 ? 1 5 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 DAR 'D-peptide linking' . D-ARGININE ? 'C6 H15 N4 O2 1' 175.209 DPN 'D-peptide linking' . D-PHENYLALANINE ? 'C9 H11 N O2' 165.189 DTH 'D-peptide linking' . D-THREONINE ? 'C4 H9 N O3' 119.119 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 IOD non-polymer . 'IODIDE ION' ? 'I -1' 126.904 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 MRD non-polymer . '(4R)-2-METHYLPENTANE-2,4-DIOL' ? 'C6 H14 O2' 118.174 NA non-polymer . 'SODIUM ION' ? 'Na 1' 22.990 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 NH2 non-polymer . 'AMINO GROUP' ? 'H2 N' 16.023 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3U8O _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.56 _exptl_crystal.density_percent_sol 52.04 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8.5 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details ;50mM Tris, 50mM Bicine, 30mM NaF, 30mM NaBr, 30mM NaI, 11.5% MPD, 11.5% PEG-1000, 11.5% PEG-3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K ; # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 210' _diffrn_detector.pdbx_collection_date 2009-11-14 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'DIAMOND (111), GE(220)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.934 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID14-1' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID14-1 _diffrn_source.pdbx_wavelength 0.934 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 3U8O _reflns.observed_criterion_sigma_I 0.000 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 47.252 _reflns.d_resolution_high 1.280 _reflns.number_obs 87023 _reflns.number_all ? _reflns.percent_possible_obs 96.7 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.04800 _reflns.pdbx_netI_over_sigmaI 28.5000 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 11.500 _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_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.28 _reflns_shell.d_res_low 1.35 _reflns_shell.percent_possible_all 93.4 _reflns_shell.Rmerge_I_obs 0.18300 _reflns_shell.pdbx_Rsym_value 0.18300 _reflns_shell.meanI_over_sigI_obs 4.100 _reflns_shell.pdbx_redundancy 5.80 _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 ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 3U8O _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 86923 _refine.ls_number_reflns_all 86923 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.360 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 36.34 _refine.ls_d_res_high 1.28 _refine.ls_percent_reflns_obs 96.4 _refine.ls_R_factor_obs 0.129 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.128 _refine.ls_R_factor_R_free 0.149 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.040 _refine.ls_number_reflns_R_free 4377 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min 0.020 _refine.occupancy_max 1.000 _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 18.43 _refine.aniso_B[1][1] 0.08860 _refine.aniso_B[2][2] 0.83910 _refine.aniso_B[3][3] -0.92780 _refine.aniso_B[1][2] 0.00000 _refine.aniso_B[1][3] -0.00000 _refine.aniso_B[2][3] 0.00000 _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol 0.36 _refine.solvent_model_param_bsol 41.76 _refine.pdbx_solvent_vdw_probe_radii 1.00 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.73 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.250 _refine.pdbx_overall_phase_error 11.210 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_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_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.entry_id 3U8O _refine_analyze.Luzzati_coordinate_error_obs 0.122 _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2315 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 33 _refine_hist.number_atoms_solvent 444 _refine_hist.number_atoms_total 2792 _refine_hist.d_res_high 1.28 _refine_hist.d_res_low 36.34 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function f_bond_d 0.013 ? ? 2572 'X-RAY DIFFRACTION' ? f_angle_d 1.477 ? ? 3507 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 13.467 ? ? 1028 'X-RAY DIFFRACTION' ? f_chiral_restr 0.100 ? ? 369 'X-RAY DIFFRACTION' ? f_plane_restr 0.010 ? ? 447 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 1.2800 1.2945 2512 0.1478 88.00 0.1617 . . 130 . . . . 'X-RAY DIFFRACTION' . 1.2945 1.3098 2649 0.1486 94.00 0.1805 . . 158 . . . . 'X-RAY DIFFRACTION' . 1.3098 1.3258 2662 0.1355 94.00 0.1808 . . 126 . . . . 'X-RAY DIFFRACTION' . 1.3258 1.3425 2688 0.1267 95.00 0.1819 . . 124 . . . . 'X-RAY DIFFRACTION' . 1.3425 1.3602 2654 0.1144 95.00 0.1514 . . 158 . . . . 'X-RAY DIFFRACTION' . 1.3602 1.3788 2650 0.1095 95.00 0.1501 . . 138 . . . . 'X-RAY DIFFRACTION' . 1.3788 1.3985 2724 0.1033 95.00 0.1397 . . 147 . . . . 'X-RAY DIFFRACTION' . 1.3985 1.4194 2707 0.1041 95.00 0.1279 . . 119 . . . . 'X-RAY DIFFRACTION' . 1.4194 1.4416 2672 0.0979 95.00 0.1404 . . 149 . . . . 'X-RAY DIFFRACTION' . 1.4416 1.4652 2714 0.0982 96.00 0.1205 . . 147 . . . . 'X-RAY DIFFRACTION' . 1.4652 1.4905 2693 0.0966 96.00 0.1335 . . 145 . . . . 'X-RAY DIFFRACTION' . 1.4905 1.5176 2720 0.0974 96.00 0.1388 . . 155 . . . . 'X-RAY DIFFRACTION' . 1.5176 1.5468 2705 0.0947 96.00 0.1265 . . 144 . . . . 'X-RAY DIFFRACTION' . 1.5468 1.5784 2728 0.0936 96.00 0.1343 . . 151 . . . . 'X-RAY DIFFRACTION' . 1.5784 1.6127 2715 0.0927 96.00 0.1474 . . 153 . . . . 'X-RAY DIFFRACTION' . 1.6127 1.6502 2744 0.0935 97.00 0.1128 . . 140 . . . . 'X-RAY DIFFRACTION' . 1.6502 1.6915 2766 0.0963 97.00 0.1218 . . 147 . . . . 'X-RAY DIFFRACTION' . 1.6915 1.7372 2708 0.1026 97.00 0.1483 . . 165 . . . . 'X-RAY DIFFRACTION' . 1.7372 1.7883 2751 0.1120 97.00 0.1426 . . 156 . . . . 'X-RAY DIFFRACTION' . 1.7883 1.8460 2797 0.1139 97.00 0.1630 . . 128 . . . . 'X-RAY DIFFRACTION' . 1.8460 1.9120 2794 0.1143 98.00 0.1253 . . 149 . . . . 'X-RAY DIFFRACTION' . 1.9120 1.9885 2762 0.1144 98.00 0.1381 . . 172 . . . . 'X-RAY DIFFRACTION' . 1.9885 2.0790 2784 0.1156 98.00 0.1316 . . 148 . . . . 'X-RAY DIFFRACTION' . 2.0790 2.1886 2812 0.1180 98.00 0.1398 . . 152 . . . . 'X-RAY DIFFRACTION' . 2.1886 2.3257 2817 0.1158 98.00 0.1334 . . 151 . . . . 'X-RAY DIFFRACTION' . 2.3257 2.5053 2872 0.1240 98.00 0.1733 . . 133 . . . . 'X-RAY DIFFRACTION' . 2.5053 2.7573 2861 0.1364 99.00 0.1493 . . 138 . . . . 'X-RAY DIFFRACTION' . 2.7573 3.1561 2912 0.1505 99.00 0.1735 . . 133 . . . . 'X-RAY DIFFRACTION' . 3.1561 3.9756 2923 0.1423 99.00 0.1462 . . 140 . . . . 'X-RAY DIFFRACTION' . 3.9756 36.3546 3050 0.1785 99.00 0.1751 . . 181 . . . . # _pdbx_refine.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine.entry_id 3U8O _pdbx_refine.R_factor_all_no_cutoff ? _pdbx_refine.R_factor_obs_no_cutoff ? _pdbx_refine.free_R_factor_no_cutoff ? _pdbx_refine.free_R_error_no_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_no_cutoff ? _pdbx_refine.free_R_val_test_set_ct_no_cutoff ? _pdbx_refine.R_factor_all_4sig_cutoff ? _pdbx_refine.R_factor_obs_4sig_cutoff ? _pdbx_refine.free_R_factor_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_ct_4sig_cutoff ? _pdbx_refine.number_reflns_obs_4sig_cutoff ? # _struct.entry_id 3U8O _struct.title 'Human thrombin complexed with D-Phe-Pro-D-Arg-D-Thr' _struct.pdbx_descriptor 'Thrombin light chain (E.C.3.4.21.5), Thrombin heavy chain (E.C.3.4.21.5), D-Phe-Pro-D-Arg-D-Thr' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3U8O _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR' _struct_keywords.text 'HYDROLASE-HYDROLASE INHIBITOR complex' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 5 ? F N N 6 ? G N N 7 ? H N N 8 ? I N N 8 ? J N N 9 ? K N N 9 ? L N N 9 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 PHE A 9 ? SER A 13 ? PHE L 299 SER L 303 5 ? 5 HELX_P HELX_P2 2 THR A 18 ? GLY A 29 ? THR L 308 GLY L 319 1 ? 12 HELX_P HELX_P3 3 ALA B 41 ? CYS B 44 ? ALA H 361 CYS H 364 5 ? 4 HELX_P HELX_P4 4 PRO B 48 ? ASP B 51 ? PRO H 368 ASP H 371 5 ? 4 HELX_P HELX_P5 5 THR B 55 ? ASN B 57 ? THR H 375 ASN H 377 5 ? 3 HELX_P HELX_P6 6 ASP B 122 ? LEU B 130 ? ASP H 442 LEU H 450 1 ? 9 HELX_P HELX_P7 7 GLU B 169 ? SER B 176 ? GLU H 489 SER H 496 1 ? 8 HELX_P HELX_P8 8 LYS B 191 ? GLY B 195 ? LYS H 511 GLY H 515 5 ? 5 HELX_P HELX_P9 9 LEU B 246 ? GLY B 258 ? LEU H 566 GLY H 578 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 3 SG ? ? ? 1_555 B CYS 119 SG ? ? L CYS 293 H CYS 439 1_555 ? ? ? ? ? ? ? 2.082 ? disulf2 disulf ? ? B CYS 28 SG ? ? ? 1_555 B CYS 44 SG ? ? H CYS 348 H CYS 364 1_555 ? ? ? ? ? ? ? 2.054 ? disulf3 disulf ? ? B CYS 173 SG ? ? ? 1_555 B CYS 187 SG ? ? H CYS 493 H CYS 507 1_555 ? ? ? ? ? ? ? 2.044 ? disulf4 disulf ? ? B CYS 201 SG ? ? ? 1_555 B CYS 231 SG ? ? H CYS 521 H CYS 551 1_555 ? ? ? ? ? ? ? 2.095 ? covale1 covale ? ? C DPN 1 C ? ? ? 1_555 C PRO 2 N ? ? I DPN 1 I PRO 2 1_555 ? ? ? ? ? ? ? 1.352 sing covale2 covale ? ? C PRO 2 C ? ? ? 1_555 C DAR 3 N ? ? I PRO 2 I DAR 3 1_555 ? ? ? ? ? ? ? 1.331 sing covale3 covale ? ? C DTH 4 C ? ? ? 1_555 C NH2 5 N ? ? I DTH 4 I NH2 5 1_555 ? ? ? ? ? ? ? 1.356 sing covale4 covale ? ? B ASN 53 ND2 ? ? ? 1_555 D NAG . C1 ? ? H ASN 373 H NAG 601 1_555 ? ? ? ? ? ? ? 1.445 ? metalc1 metalc ? ? E NA . NA ? ? ? 1_555 K HOH . O ? ? H NA 602 H HOH 760 1_555 ? ? ? ? ? ? ? 2.360 ? metalc2 metalc ? ? B ARG 233 O ? ? ? 1_555 E NA . NA ? ? H ARG 553 H NA 602 1_555 ? ? ? ? ? ? ? 2.383 ? metalc3 metalc ? ? B LYS 236 O ? ? ? 1_555 E NA . NA ? ? H LYS 556 H NA 602 1_555 ? ? ? ? ? ? ? 2.399 ? metalc4 metalc ? ? E NA . NA ? ? ? 1_555 K HOH . O ? ? H NA 602 H HOH 731 1_555 ? ? ? ? ? ? ? 2.427 ? metalc5 metalc ? ? E NA . NA ? ? ? 1_555 K HOH . O ? ? H NA 602 H HOH 736 1_555 ? ? ? ? ? ? ? 2.455 ? metalc6 metalc ? ? E NA . NA ? ? ? 1_555 K HOH . O ? ? H NA 602 H HOH 759 1_555 ? ? ? ? ? ? ? 2.596 ? covale5 covale ? ? C DAR 3 C ? ? ? 1_555 C DTH 4 N ? ? I DAR 3 I DTH 4 1_555 ? ? ? ? ? ? ? 1.336 sing # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 SER 22 B . ? SER 342 H PRO 23 B ? PRO 343 H 1 -3.71 2 SER 22 B . ? SER 342 H PRO 23 B ? PRO 343 H 1 -3.77 # 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 325 ASP H 326 A 2 GLN B 161 ? PRO B 166 ? GLN H 481 PRO H 486 A 3 LYS B 135 ? GLY B 140 ? LYS H 455 GLY H 460 A 4 PRO B 208 ? LYS B 212 ? PRO H 528 LYS H 532 A 5 TRP B 219 ? TRP B 227 ? TRP H 539 TRP H 547 A 6 GLY B 238 ? HIS B 242 ? GLY H 558 HIS H 562 A 7 MET B 185 ? ALA B 188 ? MET H 505 ALA H 508 B 1 LYS B 77 ? SER B 79 ? LYS H 397 SER H 399 B 2 LEU B 59 ? ILE B 63 ? LEU H 379 ILE H 383 B 3 GLN B 15 ? ARG B 20 ? GLN H 335 ARG H 340 B 4 GLU B 25 ? LEU B 32 ? GLU H 345 LEU H 352 B 5 TRP B 37 ? THR B 40 ? TRP H 357 THR H 360 B 6 ALA B 101 ? LEU B 105 ? ALA H 421 LEU H 425 B 7 LEU B 81 ? ILE B 86 ? LEU H 401 ILE H 406 C 1 LEU B 46 ? TYR B 47 ? LEU H 366 TYR H 367 C 2 LYS B 52 ? ASN B 53 ? LYS H 372 ASN H 373 # 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 325 O VAL B 162 ? O VAL H 482 A 2 3 O VAL B 163 ? O VAL H 483 N VAL B 138 ? N VAL H 458 A 3 4 N ARG B 137 ? N ARG H 457 O VAL B 210 ? O VAL H 530 A 4 5 N MET B 211 ? N MET H 531 O TYR B 220 ? O TYR H 540 A 5 6 N TRP B 227 ? N TRP H 547 O PHE B 239 ? O PHE H 559 A 6 7 O TYR B 240 ? O TYR H 560 N PHE B 186 ? N PHE H 506 B 1 2 O LYS B 77 ? O LYS H 397 N ILE B 63 ? N ILE H 383 B 2 3 O LEU B 60 ? O LEU H 380 N PHE B 19 ? N PHE H 339 B 3 4 N ARG B 20 ? N ARG H 340 O GLU B 25 ? O GLU H 345 B 4 5 N SER B 31 ? N SER H 351 O LEU B 39 ? O LEU H 359 B 5 6 N THR B 40 ? N THR H 360 O ALA B 101 ? O ALA H 421 B 6 7 O LYS B 104 ? O LYS H 424 N GLU B 82 ? N GLU H 402 C 1 2 N TYR B 47 ? N TYR H 367 O LYS B 52 ? O LYS H 372 # 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 ? ? ? ? 6 'BINDING SITE FOR RESIDUE NA H 602' AC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE IOD H 603' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MRD H 605' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MRD H 606' AC5 Software ? ? ? ? 3 'BINDING SITE FOR MONO-SACCHARIDE NAG H 601 BOUND TO ASN H 373' AC6 Software ? ? ? ? 27 'BINDING SITE FOR CHAIN I OF D-PHE-PRO-D-ARG-D-THR DERIVED DIRECT THROMBIN INHIBITOR' # 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 6 ARG B 233 ? ARG H 553 . ? 1_555 ? 2 AC1 6 LYS B 236 ? LYS H 556 . ? 1_555 ? 3 AC1 6 HOH K . ? HOH H 731 . ? 1_555 ? 4 AC1 6 HOH K . ? HOH H 736 . ? 1_555 ? 5 AC1 6 HOH K . ? HOH H 759 . ? 1_555 ? 6 AC1 6 HOH K . ? HOH H 760 . ? 1_555 ? 7 AC2 2 MET B 80 ? MET H 400 . ? 1_555 ? 8 AC2 2 LYS B 107 ? LYS H 427 . ? 1_555 ? 9 AC3 5 GLN B 24 ? GLN H 344 . ? 2_454 ? 10 AC3 5 ARG B 62 ? ARG H 382 . ? 2_454 ? 11 AC3 5 PHE B 215 ? PHE H 535 . ? 1_555 ? 12 AC3 5 HOH K . ? HOH H 856 . ? 1_555 ? 13 AC3 5 HOH K . ? HOH H 937 . ? 1_555 ? 14 AC4 6 ILE B 78 ? ILE H 398 . ? 2_454 ? 15 AC4 6 MET B 80 ? MET H 400 . ? 2_454 ? 16 AC4 6 TYR B 134 ? TYR H 454 . ? 1_555 ? 17 AC4 6 PRO B 214 ? PRO H 534 . ? 1_555 ? 18 AC4 6 HOH K . ? HOH H 948 . ? 1_555 ? 19 AC4 6 HOH K . ? HOH H 978 . ? 1_555 ? 20 AC5 3 ASN B 53 ? ASN H 373 . ? 1_555 ? 21 AC5 3 HOH K . ? HOH H 909 . ? 1_555 ? 22 AC5 3 HOH K . ? HOH H 1024 . ? 1_555 ? 23 AC6 27 CYS B 28 ? CYS H 348 . ? 1_555 ? 24 AC6 27 HIS B 43 ? HIS H 363 . ? 1_555 ? 25 AC6 27 TYR B 47 ? TYR H 367 . ? 1_555 ? 26 AC6 27 LYS B 52 ? LYS H 372 . ? 1_555 ? 27 AC6 27 GLU B 94 ? GLU H 414 . ? 1_555 ? 28 AC6 27 ASN B 95 ? ASN H 415 . ? 1_555 ? 29 AC6 27 ASP B 199 ? ASP H 519 . ? 1_555 ? 30 AC6 27 ALA B 200 ? ALA H 520 . ? 1_555 ? 31 AC6 27 CYS B 201 ? CYS H 521 . ? 1_555 ? 32 AC6 27 GLU B 202 ? GLU H 522 . ? 1_555 ? 33 AC6 27 GLY B 203 ? GLY H 523 . ? 1_555 ? 34 AC6 27 SER B 205 ? SER H 525 . ? 1_555 ? 35 AC6 27 VAL B 225 ? VAL H 545 . ? 1_555 ? 36 AC6 27 SER B 226 ? SER H 546 . ? 1_555 ? 37 AC6 27 TRP B 227 ? TRP H 547 . ? 1_555 ? 38 AC6 27 GLY B 228 ? GLY H 548 . ? 1_555 ? 39 AC6 27 GLY B 230 ? GLY H 550 . ? 1_555 ? 40 AC6 27 GLY B 238 ? GLY H 558 . ? 1_555 ? 41 AC6 27 HOH K . ? HOH H 721 . ? 1_555 ? 42 AC6 27 HOH K . ? HOH H 761 . ? 1_555 ? 43 AC6 27 HOH K . ? HOH H 804 . ? 1_555 ? 44 AC6 27 HOH L . ? HOH I 101 . ? 1_555 ? 45 AC6 27 HOH L . ? HOH I 102 . ? 1_555 ? 46 AC6 27 HOH L . ? HOH I 103 . ? 1_555 ? 47 AC6 27 HOH L . ? HOH I 104 . ? 1_555 ? 48 AC6 27 HOH L . ? HOH I 105 . ? 1_555 ? 49 AC6 27 HOH L . ? HOH I 106 . ? 1_555 ? # _atom_sites.entry_id 3U8O _atom_sites.fract_transf_matrix[1][1] 0.017408 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013759 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.012035 _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 H I N NA O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ALA A 1 1 ? -20.224 6.768 6.378 1.00 39.06 ? 291 ALA L N 1 ATOM 2 C CA . ALA A 1 1 ? -20.214 8.177 5.948 1.00 39.25 ? 291 ALA L CA 1 ATOM 3 C C . ALA A 1 1 ? -18.792 8.541 5.520 1.00 34.33 ? 291 ALA L C 1 ATOM 4 O O . ALA A 1 1 ? -18.481 8.688 4.333 1.00 32.21 ? 291 ALA L O 1 ATOM 5 C CB . ALA A 1 1 ? -20.675 9.077 7.079 1.00 41.46 ? 291 ALA L CB 1 ATOM 6 H HA . ALA A 1 1 ? -20.816 8.295 5.183 1.00 47.09 ? 291 ALA L HA 1 ATOM 7 H HB1 . ALA A 1 1 ? -20.661 9.989 6.778 1.00 49.73 ? 291 ALA L HB1 1 ATOM 8 H HB2 . ALA A 1 1 ? -21.568 8.829 7.331 1.00 49.73 ? 291 ALA L HB2 1 ATOM 9 H HB3 . ALA A 1 1 ? -20.082 8.970 7.825 1.00 49.73 ? 291 ALA L HB3 1 ATOM 10 N N . ASP A 1 2 ? -17.933 8.683 6.517 1.00 29.30 ? 292 ASP L N 1 ATOM 11 C CA . ASP A 1 2 ? -16.508 8.632 6.322 1.00 27.25 ? 292 ASP L CA 1 ATOM 12 C C . ASP A 1 2 ? -16.007 7.206 6.631 1.00 20.56 ? 292 ASP L C 1 ATOM 13 O O . ASP A 1 2 ? -14.792 6.964 6.813 1.00 21.11 ? 292 ASP L O 1 ATOM 14 C CB . ASP A 1 2 ? -15.875 9.612 7.299 1.00 32.09 ? 292 ASP L CB 1 ATOM 15 C CG . ASP A 1 2 ? -14.487 9.978 6.914 1.00 37.81 ? 292 ASP L CG 1 ATOM 16 O OD1 . ASP A 1 2 ? -13.712 10.383 7.812 1.00 40.04 ? 292 ASP L OD1 1 ATOM 17 O OD2 . ASP A 1 2 ? -14.183 9.869 5.706 1.00 40.37 ? 292 ASP L OD2 1 ATOM 18 H H . ASP A 1 2 ? -18.165 8.813 7.335 1.00 35.14 ? 292 ASP L H 1 ATOM 19 H HA . ASP A 1 2 ? -16.272 8.877 5.403 1.00 32.68 ? 292 ASP L HA 1 ATOM 20 H HB2 . ASP A 1 2 ? -16.405 10.424 7.322 1.00 38.49 ? 292 ASP L HB2 1 ATOM 21 H HB3 . ASP A 1 2 ? -15.846 9.208 8.181 1.00 38.49 ? 292 ASP L HB3 1 ATOM 22 N N . CYS A 1 3 ? -16.922 6.249 6.728 1.00 13.97 ? 293 CYS L N 1 ATOM 23 C CA . CYS A 1 3 ? -16.546 4.933 7.214 1.00 11.73 ? 293 CYS L CA 1 ATOM 24 C C . CYS A 1 3 ? -15.517 4.309 6.306 1.00 10.15 ? 293 CYS L C 1 ATOM 25 O O . CYS A 1 3 ? -15.463 4.559 5.099 1.00 10.98 ? 293 CYS L O 1 ATOM 26 C CB . CYS A 1 3 ? -17.778 4.039 7.307 1.00 12.53 ? 293 CYS L CB 1 ATOM 27 S SG . CYS A 1 3 ? -18.571 3.601 5.719 1.00 14.41 ? 293 CYS L SG 1 ATOM 28 H H . CYS A 1 3 ? -17.752 6.335 6.523 1.00 16.75 ? 293 CYS L H 1 ATOM 29 H HA . CYS A 1 3 ? -16.158 5.017 8.109 1.00 14.06 ? 293 CYS L HA 1 ATOM 30 H HB2 . CYS A 1 3 ? -17.521 3.211 7.741 1.00 15.02 ? 293 CYS L HB2 1 ATOM 31 H HB3 . CYS A 1 3 ? -18.444 4.493 7.847 1.00 15.02 ? 293 CYS L HB3 1 ATOM 32 N N . GLY A 1 4 ? -14.678 3.492 6.916 1.00 9.54 ? 294 GLY L N 1 ATOM 33 C CA . GLY A 1 4 ? -13.846 2.601 6.131 1.00 8.68 ? 294 GLY L CA 1 ATOM 34 C C . GLY A 1 4 ? -12.634 3.262 5.480 1.00 9.62 ? 294 GLY L C 1 ATOM 35 O O . GLY A 1 4 ? -11.938 2.606 4.710 1.00 9.82 ? 294 GLY L O 1 ATOM 36 H H . GLY A 1 4 ? -14.571 3.434 7.768 1.00 11.43 ? 294 GLY L H 1 ATOM 37 H HA2 . GLY A 1 4 ? -13.525 1.886 6.703 1.00 10.41 ? 294 GLY L HA2 1 ATOM 38 H HA3 . GLY A 1 4 ? -14.384 2.205 5.428 1.00 10.41 ? 294 GLY L HA3 1 ATOM 39 N N . LEU A 1 5 ? -12.344 4.525 5.816 1.00 11.23 ? 295 LEU L N 1 ATOM 40 C CA . LEU A 1 5 ? -11.188 5.253 5.271 1.00 11.44 ? 295 LEU L CA 1 ATOM 41 C C . LEU A 1 5 ? -10.298 5.561 6.464 1.00 11.91 ? 295 LEU L C 1 ATOM 42 O O . LEU A 1 5 ? -10.695 6.327 7.321 1.00 14.06 ? 295 LEU L O 1 ATOM 43 C CB . LEU A 1 5 ? -11.639 6.535 4.538 1.00 15.80 ? 295 LEU L CB 1 ATOM 44 C CG . LEU A 1 5 ? -12.411 6.311 3.230 1.00 17.71 ? 295 LEU L CG 1 ATOM 45 C CD1 . LEU A 1 5 ? -12.945 7.652 2.679 1.00 20.79 ? 295 LEU L CD1 1 ATOM 46 C CD2 . LEU A 1 5 ? -11.595 5.548 2.176 1.00 18.28 ? 295 LEU L CD2 1 ATOM 47 H H . LEU A 1 5 ? -12.811 4.990 6.369 1.00 13.46 ? 295 LEU L H 1 ATOM 48 H HA . LEU A 1 5 ? -10.697 4.682 4.645 1.00 13.71 ? 295 LEU L HA 1 ATOM 49 H HB2 . LEU A 1 5 ? -12.214 7.042 5.132 1.00 18.95 ? 295 LEU L HB2 1 ATOM 50 H HB3 . LEU A 1 5 ? -10.851 7.059 4.325 1.00 18.95 ? 295 LEU L HB3 1 ATOM 51 H HG . LEU A 1 5 ? -13.185 5.764 3.434 1.00 21.23 ? 295 LEU L HG 1 ATOM 52 H HD11 . LEU A 1 5 ? -13.423 7.486 1.863 1.00 24.93 ? 295 LEU L HD11 1 ATOM 53 H HD12 . LEU A 1 5 ? -13.533 8.044 3.329 1.00 24.93 ? 295 LEU L HD12 1 ATOM 54 H HD13 . LEU A 1 5 ? -12.203 8.238 2.512 1.00 24.93 ? 295 LEU L HD13 1 ATOM 55 H HD21 . LEU A 1 5 ? -12.129 5.441 1.385 1.00 21.92 ? 295 LEU L HD21 1 ATOM 56 H HD22 . LEU A 1 5 ? -10.803 6.050 1.970 1.00 21.92 ? 295 LEU L HD22 1 ATOM 57 H HD23 . LEU A 1 5 ? -11.355 4.688 2.529 1.00 21.92 ? 295 LEU L HD23 1 ATOM 58 N N . ARG A 1 6 ? -9.123 4.949 6.546 1.00 11.37 ? 296 ARG L N 1 ATOM 59 C CA . ARG A 1 6 ? -8.313 5.032 7.765 1.00 11.80 ? 296 ARG L CA 1 ATOM 60 C C . ARG A 1 6 ? -7.503 6.317 7.789 1.00 11.59 ? 296 ARG L C 1 ATOM 61 O O . ARG A 1 6 ? -6.811 6.638 6.810 1.00 12.95 ? 296 ARG L O 1 ATOM 62 C CB . ARG A 1 6 ? -7.364 3.845 7.857 1.00 10.24 ? 296 ARG L CB 1 ATOM 63 C CG . ARG A 1 6 ? -8.092 2.513 7.884 1.00 9.86 ? 296 ARG L CG 1 ATOM 64 C CD . ARG A 1 6 ? -7.162 1.348 7.724 1.00 9.33 ? 296 ARG L CD 1 ATOM 65 N NE . ARG A 1 6 ? -6.553 1.341 6.413 1.00 9.12 ? 296 ARG L NE 1 ATOM 66 C CZ . ARG A 1 6 ? -5.646 0.459 6.031 1.00 9.17 ? 296 ARG L CZ 1 ATOM 67 N NH1 . ARG A 1 6 ? -5.158 0.509 4.809 1.00 9.61 ? 296 ARG L NH1 1 ATOM 68 N NH2 . ARG A 1 6 ? -5.193 -0.444 6.884 1.00 9.91 ? 296 ARG L NH2 1 ATOM 69 H H . ARG A 1 6 ? -8.770 4.481 5.917 1.00 13.63 ? 296 ARG L H 1 ATOM 70 H HA . ARG A 1 6 ? -8.901 5.021 8.549 1.00 14.14 ? 296 ARG L HA 1 ATOM 71 H HB2 . ARG A 1 6 ? -6.776 3.850 7.086 1.00 12.27 ? 296 ARG L HB2 1 ATOM 72 H HB3 . ARG A 1 6 ? -6.844 3.919 8.672 1.00 12.27 ? 296 ARG L HB3 1 ATOM 73 H HG2 . ARG A 1 6 ? -8.549 2.419 8.734 1.00 11.82 ? 296 ARG L HG2 1 ATOM 74 H HG3 . ARG A 1 6 ? -8.733 2.488 7.156 1.00 11.82 ? 296 ARG L HG3 1 ATOM 75 H HD2 . ARG A 1 6 ? -6.457 1.408 8.387 1.00 11.18 ? 296 ARG L HD2 1 ATOM 76 H HD3 . ARG A 1 6 ? -7.660 0.523 7.834 1.00 11.18 ? 296 ARG L HD3 1 ATOM 77 H HE . ARG A 1 6 ? -6.711 2.007 5.892 1.00 10.93 ? 296 ARG L HE 1 ATOM 78 H HH11 . ARG A 1 6 ? -5.441 1.104 4.257 1.00 11.52 ? 296 ARG L HH11 1 ATOM 79 H HH12 . ARG A 1 6 ? -4.552 -0.051 4.564 1.00 11.52 ? 296 ARG L HH12 1 ATOM 80 H HH21 . ARG A 1 6 ? -5.513 -0.480 7.682 1.00 11.88 ? 296 ARG L HH21 1 ATOM 81 H HH22 . ARG A 1 6 ? -4.595 -1.009 6.635 1.00 11.88 ? 296 ARG L HH22 1 ATOM 82 N N . PRO A 1 7 ? -7.549 7.046 8.920 1.00 12.03 ? 297 PRO L N 1 ATOM 83 C CA . PRO A 1 7 ? -6.757 8.279 9.053 1.00 14.52 ? 297 PRO L CA 1 ATOM 84 C C . PRO A 1 7 ? -5.287 8.116 8.690 1.00 14.66 ? 297 PRO L C 1 ATOM 85 O O . PRO A 1 7 ? -4.678 9.011 8.078 1.00 16.63 ? 297 PRO L O 1 ATOM 86 C CB . PRO A 1 7 ? -6.933 8.636 10.531 1.00 15.49 ? 297 PRO L CB 1 ATOM 87 C CG . PRO A 1 7 ? -8.342 8.124 10.836 1.00 15.57 ? 297 PRO L CG 1 ATOM 88 C CD . PRO A 1 7 ? -8.477 6.845 10.063 1.00 13.15 ? 297 PRO L CD 1 ATOM 89 H HA . PRO A 1 7 ? -7.146 8.991 8.503 1.00 17.41 ? 297 PRO L HA 1 ATOM 90 H HB2 . PRO A 1 7 ? -6.270 8.174 11.067 1.00 18.58 ? 297 PRO L HB2 1 ATOM 91 H HB3 . PRO A 1 7 ? -6.876 9.596 10.652 1.00 18.58 ? 297 PRO L HB3 1 ATOM 92 H HG2 . PRO A 1 7 ? -8.431 7.960 11.788 1.00 18.67 ? 297 PRO L HG2 1 ATOM 93 H HG3 . PRO A 1 7 ? -8.997 8.775 10.537 1.00 18.67 ? 297 PRO L HG3 1 ATOM 94 H HD2 . PRO A 1 7 ? -8.192 6.091 10.603 1.00 15.76 ? 297 PRO L HD2 1 ATOM 95 H HD3 . PRO A 1 7 ? -9.387 6.734 9.747 1.00 15.76 ? 297 PRO L HD3 1 ATOM 96 N N . LEU A 1 8 ? -4.680 7.013 9.090 1.00 14.71 ? 298 LEU L N 1 ATOM 97 C CA . LEU A 1 8 ? -3.240 6.864 8.913 1.00 15.71 ? 298 LEU L CA 1 ATOM 98 C C . LEU A 1 8 ? -2.854 6.173 7.609 1.00 15.12 ? 298 LEU L C 1 ATOM 99 O O . LEU A 1 8 ? -1.657 6.017 7.333 1.00 16.71 ? 298 LEU L O 1 ATOM 100 C CB . LEU A 1 8 ? -2.602 6.157 10.113 1.00 16.56 ? 298 LEU L CB 1 ATOM 101 C CG . LEU A 1 8 ? -2.706 6.954 11.422 1.00 17.74 ? 298 LEU L CG 1 ATOM 102 C CD1 . LEU A 1 8 ? -2.050 6.214 12.552 1.00 19.35 ? 298 LEU L CD1 1 ATOM 103 C CD2 . LEU A 1 8 ? -2.096 8.366 11.318 1.00 19.65 ? 298 LEU L CD2 1 ATOM 104 H H . LEU A 1 8 ? -5.069 6.342 9.462 1.00 17.64 ? 298 LEU L H 1 ATOM 105 H HA . LEU A 1 8 ? -2.852 7.763 8.878 1.00 18.83 ? 298 LEU L HA 1 ATOM 106 H HB2 . LEU A 1 8 ? -3.046 5.305 10.248 1.00 19.86 ? 298 LEU L HB2 1 ATOM 107 H HB3 . LEU A 1 8 ? -1.661 6.012 9.928 1.00 19.86 ? 298 LEU L HB3 1 ATOM 108 H HG . LEU A 1 8 ? -3.645 7.057 11.646 1.00 21.27 ? 298 LEU L HG 1 ATOM 109 H HD11 . LEU A 1 8 ? -2.131 6.735 13.354 1.00 23.20 ? 298 LEU L HD11 1 ATOM 110 H HD12 . LEU A 1 8 ? -2.487 5.367 12.665 1.00 23.20 ? 298 LEU L HD12 1 ATOM 111 H HD13 . LEU A 1 8 ? -1.124 6.080 12.340 1.00 23.20 ? 298 LEU L HD13 1 ATOM 112 H HD21 . LEU A 1 8 ? -2.192 8.811 12.163 1.00 23.57 ? 298 LEU L HD21 1 ATOM 113 H HD22 . LEU A 1 8 ? -1.166 8.288 11.092 1.00 23.57 ? 298 LEU L HD22 1 ATOM 114 H HD23 . LEU A 1 8 ? -2.559 8.856 10.635 1.00 23.57 ? 298 LEU L HD23 1 ATOM 115 N N . PHE A 1 9 ? -3.841 5.800 6.798 1.00 13.83 ? 299 PHE L N 1 ATOM 116 C CA . PHE A 1 9 ? -3.566 5.094 5.550 1.00 12.99 ? 299 PHE L CA 1 ATOM 117 C C . PHE A 1 9 ? -4.284 5.782 4.397 1.00 14.02 ? 299 PHE L C 1 ATOM 118 O O . PHE A 1 9 ? -3.710 6.702 3.794 1.00 15.77 ? 299 PHE L O 1 ATOM 119 C CB . PHE A 1 9 ? -3.849 3.584 5.689 1.00 12.26 ? 299 PHE L CB 1 ATOM 120 C CG . PHE A 1 9 ? -2.874 2.914 6.610 1.00 12.86 ? 299 PHE L CG 1 ATOM 121 C CD1 . PHE A 1 9 ? -3.171 2.728 7.944 1.00 12.64 ? 299 PHE L CD1 1 ATOM 122 C CD2 . PHE A 1 9 ? -1.606 2.604 6.158 1.00 12.62 ? 299 PHE L CD2 1 ATOM 123 C CE1 . PHE A 1 9 ? -2.226 2.199 8.814 1.00 14.79 ? 299 PHE L CE1 1 ATOM 124 C CE2 . PHE A 1 9 ? -0.668 2.073 7.010 1.00 14.93 ? 299 PHE L CE2 1 ATOM 125 C CZ . PHE A 1 9 ? -0.978 1.873 8.333 1.00 15.42 ? 299 PHE L CZ 1 ATOM 126 H H . PHE A 1 9 ? -4.676 5.944 6.947 1.00 16.58 ? 299 PHE L H 1 ATOM 127 H HA . PHE A 1 9 ? -2.606 5.179 5.369 1.00 15.57 ? 299 PHE L HA 1 ATOM 128 H HB2 . PHE A 1 9 ? -4.741 3.459 6.049 1.00 14.70 ? 299 PHE L HB2 1 ATOM 129 H HB3 . PHE A 1 9 ? -3.779 3.165 4.816 1.00 14.70 ? 299 PHE L HB3 1 ATOM 130 H HD1 . PHE A 1 9 ? -4.011 2.965 8.266 1.00 15.15 ? 299 PHE L HD1 1 ATOM 131 H HD2 . PHE A 1 9 ? -1.386 2.752 5.266 1.00 15.12 ? 299 PHE L HD2 1 ATOM 132 H HE1 . PHE A 1 9 ? -2.440 2.051 9.707 1.00 17.73 ? 299 PHE L HE1 1 ATOM 133 H HE2 . PHE A 1 9 ? 0.176 1.845 6.690 1.00 17.91 ? 299 PHE L HE2 1 ATOM 134 H HZ . PHE A 1 9 ? -0.348 1.494 8.903 1.00 18.49 ? 299 PHE L HZ 1 ATOM 135 N N . GLU A 1 10 ? -5.529 5.435 4.102 1.00 13.69 ? 300 GLU L N 1 ATOM 136 C CA . GLU A 1 10 ? -6.198 6.044 2.952 1.00 14.26 ? 300 GLU L CA 1 ATOM 137 C C . GLU A 1 10 ? -6.184 7.570 3.005 1.00 15.78 ? 300 GLU L C 1 ATOM 138 O O . GLU A 1 10 ? -5.969 8.221 1.975 1.00 18.11 ? 300 GLU L O 1 ATOM 139 C CB . GLU A 1 10 ? -7.628 5.555 2.789 1.00 14.71 ? 300 GLU L CB 1 ATOM 140 C CG . GLU A 1 10 ? -7.713 4.082 2.336 1.00 13.22 ? 300 GLU L CG 1 ATOM 141 C CD . GLU A 1 10 ? -7.436 3.058 3.437 1.00 11.57 ? 300 GLU L CD 1 ATOM 142 O OE1 . GLU A 1 10 ? -7.494 3.396 4.650 1.00 12.01 ? 300 GLU L OE1 1 ATOM 143 O OE2 . GLU A 1 10 ? -7.150 1.912 3.063 1.00 10.86 ? 300 GLU L OE2 1 ATOM 144 H H . GLU A 1 10 ? -6.002 4.864 4.537 1.00 16.41 ? 300 GLU L H 1 ATOM 145 H HA . GLU A 1 10 ? -5.710 5.780 2.144 1.00 17.10 ? 300 GLU L HA 1 ATOM 146 H HB2 . GLU A 1 10 ? -8.087 5.634 3.640 1.00 17.64 ? 300 GLU L HB2 1 ATOM 147 H HB3 . GLU A 1 10 ? -8.073 6.100 2.120 1.00 17.64 ? 300 GLU L HB3 1 ATOM 148 H HG2 . GLU A 1 10 ? -8.606 3.913 1.997 1.00 15.85 ? 300 GLU L HG2 1 ATOM 149 H HG3 . GLU A 1 10 ? -7.064 3.937 1.630 1.00 15.85 ? 300 GLU L HG3 1 ATOM 150 N N . LYS A 1 11 ? -6.418 8.159 4.177 1.00 15.96 ? 301 LYS L N 1 ATOM 151 C CA . LYS A 1 11 ? -6.546 9.612 4.269 1.00 18.62 ? 301 LYS L CA 1 ATOM 152 C C . LYS A 1 11 ? -5.220 10.321 4.043 1.00 20.07 ? 301 LYS L C 1 ATOM 153 O O . LYS A 1 11 ? -5.219 11.534 3.789 1.00 23.96 ? 301 LYS L O 1 ATOM 154 C CB . LYS A 1 11 ? -7.166 10.013 5.599 1.00 19.99 ? 301 LYS L CB 1 ATOM 155 C CG . LYS A 1 11 ? -8.551 9.442 5.769 1.00 26.49 ? 301 LYS L CG 1 ATOM 156 C CD . LYS A 1 11 ? -9.616 10.499 5.969 1.00 34.06 ? 301 LYS L CD 1 ATOM 157 C CE . LYS A 1 11 ? -10.950 9.869 6.373 1.00 35.48 ? 301 LYS L CE 1 ATOM 158 N NZ . LYS A 1 11 ? -10.824 9.076 7.639 1.00 35.27 ? 301 LYS L NZ 1 ATOM 159 H H . LYS A 1 11 ? -6.506 7.745 4.925 1.00 19.14 ? 301 LYS L H 1 ATOM 160 H HA . LYS A 1 11 ? -7.157 9.910 3.563 1.00 22.33 ? 301 LYS L HA 1 ATOM 161 H HB2 . LYS A 1 11 ? -6.611 9.681 6.322 1.00 23.98 ? 301 LYS L HB2 1 ATOM 162 H HB3 . LYS A 1 11 ? -7.229 10.980 5.643 1.00 23.98 ? 301 LYS L HB3 1 ATOM 163 H HG2 . LYS A 1 11 ? -8.780 8.934 4.975 1.00 31.78 ? 301 LYS L HG2 1 ATOM 164 H HG3 . LYS A 1 11 ? -8.558 8.861 6.545 1.00 31.78 ? 301 LYS L HG3 1 ATOM 165 H HD2 . LYS A 1 11 ? -9.339 11.105 6.673 1.00 40.85 ? 301 LYS L HD2 1 ATOM 166 H HD3 . LYS A 1 11 ? -9.747 10.984 5.139 1.00 40.85 ? 301 LYS L HD3 1 ATOM 167 H HE2 . LYS A 1 11 ? -11.604 10.571 6.518 1.00 42.56 ? 301 LYS L HE2 1 ATOM 168 H HE3 . LYS A 1 11 ? -11.248 9.272 5.669 1.00 42.56 ? 301 LYS L HE3 1 ATOM 169 H HZ1 . LYS A 1 11 ? -11.611 8.720 7.854 1.00 42.31 ? 301 LYS L HZ1 1 ATOM 170 H HZ2 . LYS A 1 11 ? -10.231 8.422 7.530 1.00 42.31 ? 301 LYS L HZ2 1 ATOM 171 H HZ3 . LYS A 1 11 ? -10.555 9.605 8.303 1.00 42.31 ? 301 LYS L HZ3 1 ATOM 172 N N . LYS A 1 12 ? -4.111 9.595 4.154 1.00 21.04 ? 302 LYS L N 1 ATOM 173 C CA . LYS A 1 12 ? -2.760 10.105 3.910 1.00 22.19 ? 302 LYS L CA 1 ATOM 174 C C . LYS A 1 12 ? -2.137 9.544 2.646 1.00 22.24 ? 302 LYS L C 1 ATOM 175 O O . LYS A 1 12 ? -0.954 9.750 2.407 1.00 24.17 ? 302 LYS L O 1 ATOM 176 C CB . LYS A 1 12 ? -1.851 9.713 5.066 1.00 25.85 ? 302 LYS L CB 1 ATOM 177 C CG . LYS A 1 12 ? -2.088 10.522 6.305 1.00 30.12 ? 302 LYS L CG 1 ATOM 178 C CD . LYS A 1 12 ? -1.248 10.037 7.465 1.00 33.62 ? 302 LYS L CD 1 ATOM 179 C CE . LYS A 1 12 ? 0.184 10.509 7.353 1.00 34.53 ? 302 LYS L CE 1 ATOM 180 N NZ . LYS A 1 12 ? 0.934 10.193 8.598 1.00 34.92 ? 302 LYS L NZ 1 ATOM 181 H H . LYS A 1 12 ? -4.116 8.765 4.379 1.00 25.24 ? 302 LYS L H 1 ATOM 182 H HA . LYS A 1 12 ? -2.782 11.083 3.844 1.00 26.61 ? 302 LYS L HA 1 ATOM 183 H HB2 . LYS A 1 12 ? -2.005 8.781 5.284 1.00 31.01 ? 302 LYS L HB2 1 ATOM 184 H HB3 . LYS A 1 12 ? -0.928 9.842 4.797 1.00 31.01 ? 302 LYS L HB3 1 ATOM 185 H HG2 . LYS A 1 12 ? -1.856 11.448 6.130 1.00 36.13 ? 302 LYS L HG2 1 ATOM 186 H HG3 . LYS A 1 12 ? -3.022 10.453 6.557 1.00 36.13 ? 302 LYS L HG3 1 ATOM 187 H HD2 . LYS A 1 12 ? -1.618 10.382 8.293 1.00 40.33 ? 302 LYS L HD2 1 ATOM 188 H HD3 . LYS A 1 12 ? -1.248 9.067 7.477 1.00 40.33 ? 302 LYS L HD3 1 ATOM 189 H HE2 . LYS A 1 12 ? 0.616 10.058 6.610 1.00 41.42 ? 302 LYS L HE2 1 ATOM 190 H HE3 . LYS A 1 12 ? 0.198 11.470 7.220 1.00 41.42 ? 302 LYS L HE3 1 ATOM 191 H HZ1 . LYS A 1 12 ? 1.776 10.474 8.524 1.00 41.89 ? 302 LYS L HZ1 1 ATOM 192 H HZ2 . LYS A 1 12 ? 0.554 10.598 9.293 1.00 41.89 ? 302 LYS L HZ2 1 ATOM 193 H HZ3 . LYS A 1 12 ? 0.933 9.315 8.739 1.00 41.89 ? 302 LYS L HZ3 1 ATOM 194 N N . SER A 1 13 ? -2.918 8.835 1.838 1.00 22.17 ? 303 SER L N 1 ATOM 195 C CA . SER A 1 13 ? -2.394 8.186 0.635 1.00 23.22 ? 303 SER L CA 1 ATOM 196 C C . SER A 1 13 ? -1.240 7.242 0.942 1.00 21.91 ? 303 SER L C 1 ATOM 197 O O . SER A 1 13 ? -0.281 7.140 0.164 1.00 24.20 ? 303 SER L O 1 ATOM 198 C CB . SER A 1 13 ? -1.956 9.219 -0.410 1.00 26.51 ? 303 SER L CB 1 ATOM 199 O OG . SER A 1 13 ? -3.085 9.946 -0.870 1.00 30.31 ? 303 SER L OG 1 ATOM 200 H H . SER A 1 13 ? -3.760 8.712 1.963 1.00 26.59 ? 303 SER L H 1 ATOM 201 H HA . SER A 1 13 ? -3.112 7.651 0.236 1.00 27.85 ? 303 SER L HA 1 ATOM 202 H HB2 . SER A 1 13 ? -1.324 9.834 -0.005 1.00 31.80 ? 303 SER L HB2 1 ATOM 203 H HB3 . SER A 1 13 ? -1.544 8.761 -1.159 1.00 31.80 ? 303 SER L HB3 1 ATOM 204 H HG . SER A 1 13 ? -2.853 10.500 -1.429 1.00 36.36 ? 303 SER L HG 1 ATOM 205 N N . LEU A 1 14 ? -1.365 6.505 2.049 1.00 19.40 ? 304 LEU L N 1 ATOM 206 C CA . LEU A 1 14 ? -0.382 5.506 2.429 1.00 18.89 ? 304 LEU L CA 1 ATOM 207 C C . LEU A 1 14 ? -1.047 4.129 2.422 1.00 17.45 ? 304 LEU L C 1 ATOM 208 O O . LEU A 1 14 ? -2.192 3.993 2.826 1.00 17.00 ? 304 LEU L O 1 ATOM 209 C CB . LEU A 1 14 ? 0.176 5.773 3.824 1.00 20.30 ? 304 LEU L CB 1 ATOM 210 C CG . LEU A 1 14 ? 1.005 7.055 3.957 1.00 22.39 ? 304 LEU L CG 1 ATOM 211 C CD1 . LEU A 1 14 ? 1.377 7.223 5.423 1.00 23.20 ? 304 LEU L CD1 1 ATOM 212 C CD2 . LEU A 1 14 ? 2.253 7.030 3.068 1.00 23.76 ? 304 LEU L CD2 1 ATOM 213 H H . LEU A 1 14 ? -2.022 6.571 2.600 1.00 23.26 ? 304 LEU L H 1 ATOM 214 H HA . LEU A 1 14 ? 0.358 5.504 1.786 1.00 22.65 ? 304 LEU L HA 1 ATOM 215 H HB2 . LEU A 1 14 ? -0.565 5.838 4.445 1.00 24.34 ? 304 LEU L HB2 1 ATOM 216 H HB3 . LEU A 1 14 ? 0.746 5.029 4.075 1.00 24.34 ? 304 LEU L HB3 1 ATOM 217 H HG . LEU A 1 14 ? 0.461 7.814 3.694 1.00 26.85 ? 304 LEU L HG 1 ATOM 218 H HD11 . LEU A 1 14 ? 1.897 8.024 5.523 1.00 27.83 ? 304 LEU L HD11 1 ATOM 219 H HD12 . LEU A 1 14 ? 0.573 7.288 5.943 1.00 27.83 ? 304 LEU L HD12 1 ATOM 220 H HD13 . LEU A 1 14 ? 1.889 6.462 5.704 1.00 27.83 ? 304 LEU L HD13 1 ATOM 221 H HD21 . LEU A 1 14 ? 2.737 7.851 3.186 1.00 28.50 ? 304 LEU L HD21 1 ATOM 222 H HD22 . LEU A 1 14 ? 2.803 6.285 3.323 1.00 28.50 ? 304 LEU L HD22 1 ATOM 223 H HD23 . LEU A 1 14 ? 1.982 6.938 2.151 1.00 28.50 ? 304 LEU L HD23 1 ATOM 224 N N . GLU A 1 15 ? -0.306 3.125 1.976 1.00 16.17 ? 305 GLU L N 1 ATOM 225 C CA . GLU A 1 15 ? -0.771 1.728 1.933 1.00 16.06 ? 305 GLU L CA 1 ATOM 226 C C . GLU A 1 15 ? -0.157 0.960 3.059 1.00 14.83 ? 305 GLU L C 1 ATOM 227 O O . GLU A 1 15 ? 1.013 1.147 3.362 1.00 16.63 ? 305 GLU L O 1 ATOM 228 C CB . GLU A 1 15 ? -0.447 1.048 0.596 1.00 21.52 ? 305 GLU L CB 1 ATOM 229 C CG . GLU A 1 15 ? -1.333 1.575 -0.524 1.00 26.21 ? 305 GLU L CG 1 ATOM 230 C CD . GLU A 1 15 ? -1.119 0.880 -1.854 1.00 30.15 ? 305 GLU L CD 1 ATOM 231 O OE1 . GLU A 1 15 ? -1.828 1.242 -2.830 1.00 33.47 ? 305 GLU L OE1 1 ATOM 232 O OE2 . GLU A 1 15 ? -0.249 -0.017 -1.934 1.00 31.65 ? 305 GLU L OE2 1 ATOM 233 H H . GLU A 1 15 ? 0.496 3.222 1.681 1.00 19.39 ? 305 GLU L H 1 ATOM 234 H HA . GLU A 1 15 ? -1.743 1.713 2.052 1.00 19.26 ? 305 GLU L HA 1 ATOM 235 H HB2 . GLU A 1 15 ? 0.477 1.225 0.361 1.00 25.81 ? 305 GLU L HB2 1 ATOM 236 H HB3 . GLU A 1 15 ? -0.596 0.093 0.677 1.00 25.81 ? 305 GLU L HB3 1 ATOM 237 H HG2 . GLU A 1 15 ? -2.262 1.453 -0.271 1.00 31.44 ? 305 GLU L HG2 1 ATOM 238 H HG3 . GLU A 1 15 ? -1.148 2.519 -0.650 1.00 31.44 ? 305 GLU L HG3 1 ATOM 239 N N . ASP A 1 16 ? -0.934 0.067 3.662 1.00 13.58 ? 306 ASP L N 1 ATOM 240 C CA . ASP A 1 16 ? -0.357 -0.812 4.653 1.00 14.10 ? 306 ASP L CA 1 ATOM 241 C C . ASP A 1 16 ? 0.429 -1.933 3.977 1.00 14.64 ? 306 ASP L C 1 ATOM 242 O O . ASP A 1 16 ? 0.389 -2.100 2.760 1.00 14.40 ? 306 ASP L O 1 ATOM 243 C CB . ASP A 1 16 ? -1.408 -1.272 5.688 1.00 13.33 ? 306 ASP L CB 1 ATOM 244 C CG . ASP A 1 16 ? -2.379 -2.316 5.161 1.00 11.62 ? 306 ASP L CG 1 ATOM 245 O OD1 . ASP A 1 16 ? -3.606 -2.146 5.372 1.00 11.76 ? 306 ASP L OD1 1 ATOM 246 O OD2 . ASP A 1 16 ? -1.928 -3.352 4.609 1.00 12.45 ? 306 ASP L OD2 1 ATOM 247 H H . ASP A 1 16 ? -1.775 -0.044 3.517 1.00 16.28 ? 306 ASP L H 1 ATOM 248 H HA . ASP A 1 16 ? 0.301 -0.286 5.155 1.00 16.91 ? 306 ASP L HA 1 ATOM 249 H HB2 . ASP A 1 16 ? -0.947 -1.656 6.451 1.00 15.98 ? 306 ASP L HB2 1 ATOM 250 H HB3 . ASP A 1 16 ? -1.926 -0.502 5.971 1.00 15.98 ? 306 ASP L HB3 1 ATOM 251 N N . LYS A 1 17 ? 1.135 -2.688 4.810 1.00 16.19 ? 307 LYS L N 1 ATOM 252 C CA A LYS A 1 17 ? 2.121 -3.652 4.367 0.32 19.90 ? 307 LYS L CA 1 ATOM 253 C CA B LYS A 1 17 ? 2.117 -3.641 4.354 0.68 20.58 ? 307 LYS L CA 1 ATOM 254 C C . LYS A 1 17 ? 1.547 -4.828 3.586 1.00 18.70 ? 307 LYS L C 1 ATOM 255 O O . LYS A 1 17 ? 2.262 -5.446 2.813 1.00 20.18 ? 307 LYS L O 1 ATOM 256 C CB A LYS A 1 17 ? 2.932 -4.153 5.576 0.32 22.04 ? 307 LYS L CB 1 ATOM 257 C CB B LYS A 1 17 ? 2.952 -4.116 5.554 0.68 22.80 ? 307 LYS L CB 1 ATOM 258 C CG A LYS A 1 17 ? 2.136 -4.889 6.662 0.32 26.36 ? 307 LYS L CG 1 ATOM 259 C CG B LYS A 1 17 ? 2.197 -4.902 6.623 0.68 27.31 ? 307 LYS L CG 1 ATOM 260 C CD A LYS A 1 17 ? 2.977 -5.114 7.918 0.32 27.40 ? 307 LYS L CD 1 ATOM 261 C CD B LYS A 1 17 ? 2.994 -5.015 7.923 0.68 27.01 ? 307 LYS L CD 1 ATOM 262 C CE A LYS A 1 17 ? 2.269 -6.030 8.916 0.32 29.35 ? 307 LYS L CE 1 ATOM 263 C CE B LYS A 1 17 ? 2.296 -5.927 8.927 0.68 28.69 ? 307 LYS L CE 1 ATOM 264 N NZ A LYS A 1 17 ? 3.142 -6.406 10.067 0.32 29.22 ? 307 LYS L NZ 1 ATOM 265 N NZ B LYS A 1 17 ? 0.889 -5.507 9.141 0.68 27.95 ? 307 LYS L NZ 1 ATOM 266 H H . LYS A 1 17 ? 1.053 -2.656 5.665 1.00 19.41 ? 307 LYS L H 1 ATOM 267 H HA A LYS A 1 17 ? 2.748 -3.192 3.771 0.32 23.87 ? 307 LYS L HA 1 ATOM 268 H HA B LYS A 1 17 ? 2.729 -3.176 3.745 0.68 24.68 ? 307 LYS L HA 1 ATOM 269 H HB2 A LYS A 1 17 ? 3.614 -4.762 5.254 0.32 26.43 ? 307 LYS L HB2 1 ATOM 270 H HB2 B LYS A 1 17 ? 3.664 -4.687 5.224 0.68 27.34 ? 307 LYS L HB2 1 ATOM 271 H HB3 A LYS A 1 17 ? 3.356 -3.388 5.997 0.32 26.43 ? 307 LYS L HB3 1 ATOM 272 H HB3 B LYS A 1 17 ? 3.337 -3.338 5.986 0.68 27.34 ? 307 LYS L HB3 1 ATOM 273 H HG2 A LYS A 1 17 ? 1.361 -4.359 6.906 0.32 31.62 ? 307 LYS L HG2 1 ATOM 274 H HG2 B LYS A 1 17 ? 1.361 -4.451 6.819 0.68 32.76 ? 307 LYS L HG2 1 ATOM 275 H HG3 A LYS A 1 17 ? 1.857 -5.754 6.324 0.32 31.62 ? 307 LYS L HG3 1 ATOM 276 H HG3 B LYS A 1 17 ? 2.024 -5.799 6.296 0.68 32.76 ? 307 LYS L HG3 1 ATOM 277 H HD2 A LYS A 1 17 ? 3.817 -5.529 7.669 0.32 32.86 ? 307 LYS L HD2 1 ATOM 278 H HD2 B LYS A 1 17 ? 3.869 -5.387 7.731 0.68 32.40 ? 307 LYS L HD2 1 ATOM 279 H HD3 A LYS A 1 17 ? 3.139 -4.262 8.351 0.32 32.86 ? 307 LYS L HD3 1 ATOM 280 H HD3 B LYS A 1 17 ? 3.082 -4.135 8.322 0.68 32.40 ? 307 LYS L HD3 1 ATOM 281 H HE2 A LYS A 1 17 ? 1.489 -5.573 9.267 0.32 35.20 ? 307 LYS L HE2 1 ATOM 282 H HE2 B LYS A 1 17 ? 2.295 -6.836 8.589 0.68 34.42 ? 307 LYS L HE2 1 ATOM 283 H HE3 A LYS A 1 17 ? 2.002 -6.845 8.463 0.32 35.20 ? 307 LYS L HE3 1 ATOM 284 H HE3 B LYS A 1 17 ? 2.760 -5.884 9.778 0.68 34.42 ? 307 LYS L HE3 1 ATOM 285 H HZ1 A LYS A 1 17 ? 2.697 -6.938 10.625 0.32 35.05 ? 307 LYS L HZ1 1 ATOM 286 H HZ1 B LYS A 1 17 ? 0.496 -6.048 9.728 0.68 33.53 ? 307 LYS L HZ1 1 ATOM 287 H HZ2 A LYS A 1 17 ? 3.865 -6.835 9.773 0.32 35.05 ? 307 LYS L HZ2 1 ATOM 288 H HZ2 B LYS A 1 17 ? 0.865 -4.674 9.454 0.68 33.53 ? 307 LYS L HZ2 1 ATOM 289 H HZ3 A LYS A 1 17 ? 3.398 -5.676 10.506 0.32 35.05 ? 307 LYS L HZ3 1 ATOM 290 H HZ3 B LYS A 1 17 ? 0.442 -5.540 8.372 0.68 33.53 ? 307 LYS L HZ3 1 ATOM 291 N N . THR A 1 18 ? 0.256 -5.145 3.777 1.00 15.83 ? 308 THR L N 1 ATOM 292 C CA . THR A 1 18 ? -0.294 -6.326 3.102 1.00 14.03 ? 308 THR L CA 1 ATOM 293 C C . THR A 1 18 ? -1.593 -6.105 2.354 1.00 11.47 ? 308 THR L C 1 ATOM 294 O O . THR A 1 18 ? -2.134 -7.040 1.787 1.00 11.80 ? 308 THR L O 1 ATOM 295 C CB . THR A 1 18 ? -0.478 -7.506 4.050 1.00 14.65 ? 308 THR L CB 1 ATOM 296 O OG1 . THR A 1 18 ? -1.506 -7.183 4.990 1.00 14.42 ? 308 THR L OG1 1 ATOM 297 C CG2 . THR A 1 18 ? 0.839 -7.900 4.739 1.00 17.86 ? 308 THR L CG2 1 ATOM 298 H H . THR A 1 18 ? -0.298 -4.712 4.271 1.00 18.98 ? 308 THR L H 1 ATOM 299 H HA . THR A 1 18 ? 0.364 -6.609 2.432 1.00 16.82 ? 308 THR L HA 1 ATOM 300 H HB . THR A 1 18 ? -0.770 -8.271 3.530 1.00 17.57 ? 308 THR L HB 1 ATOM 301 H HG1 . THR A 1 18 ? -1.618 -7.808 5.509 1.00 17.29 ? 308 THR L HG1 1 ATOM 302 H HG21 . THR A 1 18 ? 0.692 -8.643 5.328 1.00 21.42 ? 308 THR L HG21 1 ATOM 303 H HG22 . THR A 1 18 ? 1.492 -8.148 4.081 1.00 21.42 ? 308 THR L HG22 1 ATOM 304 H HG23 . THR A 1 18 ? 1.177 -7.160 5.249 1.00 21.42 ? 308 THR L HG23 1 ATOM 305 N N . GLU A 1 19 ? -2.079 -4.878 2.274 1.00 11.06 ? 309 GLU L N 1 ATOM 306 C CA . GLU A 1 19 ? -3.371 -4.661 1.612 1.00 10.77 ? 309 GLU L CA 1 ATOM 307 C C . GLU A 1 19 ? -3.316 -4.982 0.134 1.00 10.98 ? 309 GLU L C 1 ATOM 308 O O . GLU A 1 19 ? -4.319 -5.382 -0.456 1.00 10.87 ? 309 GLU L O 1 ATOM 309 C CB . GLU A 1 19 ? -3.919 -3.242 1.846 1.00 10.77 ? 309 GLU L CB 1 ATOM 310 C CG . GLU A 1 19 ? -3.043 -2.145 1.286 1.00 11.92 ? 309 GLU L CG 1 ATOM 311 C CD . GLU A 1 19 ? -3.715 -0.789 1.399 1.00 12.59 ? 309 GLU L CD 1 ATOM 312 O OE1 . GLU A 1 19 ? -3.524 -0.109 2.434 1.00 12.77 ? 309 GLU L OE1 1 ATOM 313 O OE2 . GLU A 1 19 ? -4.513 -0.459 0.491 1.00 14.56 ? 309 GLU L OE2 1 ATOM 314 H H . GLU A 1 19 ? -1.701 -4.170 2.583 1.00 13.26 ? 309 GLU L H 1 ATOM 315 H HA . GLU A 1 19 ? -4.017 -5.281 2.010 1.00 12.90 ? 309 GLU L HA 1 ATOM 316 H HB2 . GLU A 1 19 ? -4.789 -3.170 1.423 1.00 12.91 ? 309 GLU L HB2 1 ATOM 317 H HB3 . GLU A 1 19 ? -4.004 -3.094 2.800 1.00 12.91 ? 309 GLU L HB3 1 ATOM 318 H HG2 . GLU A 1 19 ? -2.211 -2.114 1.784 1.00 14.29 ? 309 GLU L HG2 1 ATOM 319 H HG3 . GLU A 1 19 ? -2.868 -2.321 0.349 1.00 14.29 ? 309 GLU L HG3 1 ATOM 320 N N . ARG A 1 20 ? -2.158 -4.844 -0.498 1.00 11.41 ? 310 ARG L N 1 ATOM 321 C CA . ARG A 1 20 ? -2.070 -5.213 -1.879 1.00 13.32 ? 310 ARG L CA 1 ATOM 322 C C . ARG A 1 20 ? -2.364 -6.698 -2.125 1.00 12.34 ? 310 ARG L C 1 ATOM 323 O O . ARG A 1 20 ? -2.811 -7.068 -3.213 1.00 11.93 ? 310 ARG L O 1 ATOM 324 C CB . ARG A 1 20 ? -0.708 -4.816 -2.414 1.00 19.05 ? 310 ARG L CB 1 ATOM 325 C CG . ARG A 1 20 ? -0.655 -3.392 -2.853 1.00 27.96 ? 310 ARG L CG 1 ATOM 326 C CD . ARG A 1 20 ? 0.452 -3.202 -3.893 1.00 34.77 ? 310 ARG L CD 1 ATOM 327 N NE . ARG A 1 20 ? 0.687 -1.803 -4.211 1.00 41.56 ? 310 ARG L NE 1 ATOM 328 C CZ . ARG A 1 20 ? 1.634 -1.385 -5.045 1.00 45.89 ? 310 ARG L CZ 1 ATOM 329 N NH1 . ARG A 1 20 ? 1.785 -0.084 -5.280 1.00 48.40 ? 310 ARG L NH1 1 ATOM 330 N NH2 . ARG A 1 20 ? 2.430 -2.268 -5.649 1.00 46.36 ? 310 ARG L NH2 1 ATOM 331 H H . ARG A 1 20 ? -1.430 -4.546 -0.150 1.00 13.67 ? 310 ARG L H 1 ATOM 332 H HA . ARG A 1 20 ? -2.739 -4.698 -2.377 1.00 15.97 ? 310 ARG L HA 1 ATOM 333 H HB2 . ARG A 1 20 ? -0.046 -4.939 -1.715 1.00 22.84 ? 310 ARG L HB2 1 ATOM 334 H HB3 . ARG A 1 20 ? -0.493 -5.374 -3.177 1.00 22.84 ? 310 ARG L HB3 1 ATOM 335 H HG2 . ARG A 1 20 ? -1.503 -3.146 -3.256 1.00 33.54 ? 310 ARG L HG2 1 ATOM 336 H HG3 . ARG A 1 20 ? -0.463 -2.824 -2.091 1.00 33.54 ? 310 ARG L HG3 1 ATOM 337 H HD2 . ARG A 1 20 ? 1.278 -3.574 -3.547 1.00 41.71 ? 310 ARG L HD2 1 ATOM 338 H HD3 . ARG A 1 20 ? 0.199 -3.658 -4.711 1.00 41.71 ? 310 ARG L HD3 1 ATOM 339 H HE . ARG A 1 20 ? 0.255 -1.210 -3.763 1.00 49.86 ? 310 ARG L HE 1 ATOM 340 H HH11 . ARG A 1 20 ? 1.271 0.485 -4.892 1.00 58.07 ? 310 ARG L HH11 1 ATOM 341 H HH12 . ARG A 1 20 ? 2.396 0.187 -5.821 1.00 58.07 ? 310 ARG L HH12 1 ATOM 342 H HH21 . ARG A 1 20 ? 2.333 -3.109 -5.497 1.00 55.61 ? 310 ARG L HH21 1 ATOM 343 H HH22 . ARG A 1 20 ? 3.042 -1.997 -6.189 1.00 55.61 ? 310 ARG L HH22 1 ATOM 344 N N . GLU A 1 21 ? -2.098 -7.558 -1.141 1.00 11.58 ? 311 GLU L N 1 ATOM 345 C CA . GLU A 1 21 ? -2.457 -8.958 -1.300 1.00 11.42 ? 311 GLU L CA 1 ATOM 346 C C . GLU A 1 21 ? -3.954 -9.111 -1.511 1.00 9.78 ? 311 GLU L C 1 ATOM 347 O O . GLU A 1 21 ? -4.410 -9.983 -2.249 1.00 10.07 ? 311 GLU L O 1 ATOM 348 C CB . GLU A 1 21 ? -2.049 -9.740 -0.065 1.00 13.56 ? 311 GLU L CB 1 ATOM 349 C CG . GLU A 1 21 ? -0.588 -9.810 0.125 1.00 18.53 ? 311 GLU L CG 1 ATOM 350 C CD . GLU A 1 21 ? -0.207 -10.431 1.473 1.00 21.92 ? 311 GLU L CD 1 ATOM 351 O OE1 . GLU A 1 21 ? 1.015 -10.293 1.807 1.00 22.69 ? 311 GLU L OE1 1 ATOM 352 O OE2 . GLU A 1 21 ? -1.113 -11.030 2.177 1.00 21.19 ? 311 GLU L OE2 1 ATOM 353 H H . GLU A 1 21 ? -1.721 -7.361 -0.393 1.00 13.89 ? 311 GLU L H 1 ATOM 354 H HA . GLU A 1 21 ? -1.990 -9.332 -2.077 1.00 13.69 ? 311 GLU L HA 1 ATOM 355 H HB2 . GLU A 1 21 ? -2.432 -9.314 0.717 1.00 16.26 ? 311 GLU L HB2 1 ATOM 356 H HB3 . GLU A 1 21 ? -2.383 -10.648 -0.143 1.00 16.26 ? 311 GLU L HB3 1 ATOM 357 H HG2 . GLU A 1 21 ? -0.202 -10.356 -0.578 1.00 22.22 ? 311 GLU L HG2 1 ATOM 358 H HG3 . GLU A 1 21 ? -0.220 -8.913 0.091 1.00 22.22 ? 311 GLU L HG3 1 ATOM 359 N N . LEU A 1 22 ? -4.744 -8.279 -0.831 1.00 9.65 ? 312 LEU L N 1 ATOM 360 C CA . LEU A 1 22 ? -6.198 -8.333 -0.985 1.00 8.74 ? 312 LEU L CA 1 ATOM 361 C C . LEU A 1 22 ? -6.583 -7.886 -2.386 1.00 9.09 ? 312 LEU L C 1 ATOM 362 O O . LEU A 1 22 ? -7.345 -8.546 -3.098 1.00 9.40 ? 312 LEU L O 1 ATOM 363 C CB . LEU A 1 22 ? -6.886 -7.443 0.057 1.00 9.05 ? 312 LEU L CB 1 ATOM 364 C CG . LEU A 1 22 ? -6.499 -7.735 1.506 1.00 10.24 ? 312 LEU L CG 1 ATOM 365 C CD1 . LEU A 1 22 ? -7.279 -6.774 2.411 1.00 12.09 ? 312 LEU L CD1 1 ATOM 366 C CD2 . LEU A 1 22 ? -6.748 -9.165 1.890 1.00 10.18 ? 312 LEU L CD2 1 ATOM 367 H H . LEU A 1 22 ? -4.467 -7.680 -0.279 1.00 11.56 ? 312 LEU L H 1 ATOM 368 H HA . LEU A 1 22 ? -6.505 -9.255 -0.858 1.00 10.48 ? 312 LEU L HA 1 ATOM 369 H HB2 . LEU A 1 22 ? -6.658 -6.519 -0.127 1.00 10.85 ? 312 LEU L HB2 1 ATOM 370 H HB3 . LEU A 1 22 ? -7.846 -7.563 -0.019 1.00 10.85 ? 312 LEU L HB3 1 ATOM 371 H HG . LEU A 1 22 ? -5.553 -7.554 1.622 1.00 12.28 ? 312 LEU L HG 1 ATOM 372 H HD11 . LEU A 1 22 ? -7.044 -6.947 3.326 1.00 14.50 ? 312 LEU L HD11 1 ATOM 373 H HD12 . LEU A 1 22 ? -7.050 -5.871 2.180 1.00 14.50 ? 312 LEU L HD12 1 ATOM 374 H HD13 . LEU A 1 22 ? -8.219 -6.917 2.282 1.00 14.50 ? 312 LEU L HD13 1 ATOM 375 H HD21 . LEU A 1 22 ? -6.489 -9.292 2.805 1.00 12.20 ? 312 LEU L HD21 1 ATOM 376 H HD22 . LEU A 1 22 ? -7.682 -9.359 1.784 1.00 12.20 ? 312 LEU L HD22 1 ATOM 377 H HD23 . LEU A 1 22 ? -6.228 -9.736 1.320 1.00 12.20 ? 312 LEU L HD23 1 ATOM 378 N N . LEU A 1 23 ? -6.018 -6.773 -2.818 1.00 9.64 ? 313 LEU L N 1 ATOM 379 C CA A LEU A 1 23 ? -6.325 -6.227 -4.132 0.78 10.45 ? 313 LEU L CA 1 ATOM 380 C CA B LEU A 1 23 ? -6.317 -6.232 -4.138 0.22 12.13 ? 313 LEU L CA 1 ATOM 381 C C . LEU A 1 23 ? -5.929 -7.206 -5.237 1.00 10.63 ? 313 LEU L C 1 ATOM 382 O O . LEU A 1 23 ? -6.685 -7.409 -6.194 1.00 11.60 ? 313 LEU L O 1 ATOM 383 C CB A LEU A 1 23 ? -5.600 -4.886 -4.285 0.78 13.13 ? 313 LEU L CB 1 ATOM 384 C CB B LEU A 1 23 ? -5.596 -4.901 -4.355 0.22 16.67 ? 313 LEU L CB 1 ATOM 385 C CG A LEU A 1 23 ? -5.690 -4.092 -5.583 0.78 18.41 ? 313 LEU L CG 1 ATOM 386 C CG B LEU A 1 23 ? -6.456 -3.645 -4.230 0.22 21.20 ? 313 LEU L CG 1 ATOM 387 C CD1 A LEU A 1 23 ? -7.048 -3.495 -5.701 0.78 22.06 ? 313 LEU L CD1 1 ATOM 388 C CD1 B LEU A 1 23 ? -5.625 -2.410 -4.513 0.22 22.65 ? 313 LEU L CD1 1 ATOM 389 C CD2 A LEU A 1 23 ? -4.617 -2.986 -5.636 0.78 23.00 ? 313 LEU L CD2 1 ATOM 390 C CD2 B LEU A 1 23 ? -7.643 -3.694 -5.173 0.22 23.27 ? 313 LEU L CD2 1 ATOM 391 H H . LEU A 1 23 ? -5.450 -6.309 -2.368 1.00 11.56 ? 313 LEU L H 1 ATOM 392 H HA A LEU A 1 23 ? -7.289 -6.064 -4.198 0.78 12.53 ? 313 LEU L HA 1 ATOM 393 H HA B LEU A 1 23 ? -7.281 -6.068 -4.205 0.22 14.54 ? 313 LEU L HA 1 ATOM 394 H HB2 A LEU A 1 23 ? -5.928 -4.301 -3.585 0.78 15.74 ? 313 LEU L HB2 1 ATOM 395 H HB2 B LEU A 1 23 ? -4.883 -4.830 -3.700 0.22 19.99 ? 313 LEU L HB2 1 ATOM 396 H HB3 A LEU A 1 23 ? -4.656 -5.051 -4.132 0.78 15.74 ? 313 LEU L HB3 1 ATOM 397 H HB3 B LEU A 1 23 ? -5.214 -4.902 -5.247 0.22 19.99 ? 313 LEU L HB3 1 ATOM 398 H HG A LEU A 1 23 ? -5.551 -4.689 -6.335 0.78 22.08 ? 313 LEU L HG 1 ATOM 399 H HG B LEU A 1 23 ? -6.794 -3.580 -3.323 0.22 25.43 ? 313 LEU L HG 1 ATOM 400 H HD11 A LEU A 1 23 ? -7.100 -2.997 -6.520 0.78 26.46 ? 313 LEU L HD11 1 ATOM 401 H HD11 B LEU A 1 23 ? -6.182 -1.633 -4.430 0.22 27.16 ? 313 LEU L HD11 1 ATOM 402 H HD12 A LEU A 1 23 ? -7.700 -4.201 -5.705 0.78 26.46 ? 313 LEU L HD12 1 ATOM 403 H HD12 B LEU A 1 23 ? -4.904 -2.367 -3.880 0.22 27.16 ? 313 LEU L HD12 1 ATOM 404 H HD13 A LEU A 1 23 ? -7.200 -2.914 -4.953 0.78 26.46 ? 313 LEU L HD13 1 ATOM 405 H HD13 B LEU A 1 23 ? -5.274 -2.468 -5.405 0.22 27.16 ? 313 LEU L HD13 1 ATOM 406 H HD21 A LEU A 1 23 ? -4.703 -2.508 -6.464 0.78 27.58 ? 313 LEU L HD21 1 ATOM 407 H HD21 B LEU A 1 23 ? -8.159 -2.892 -5.068 0.22 27.91 ? 313 LEU L HD21 1 ATOM 408 H HD22 A LEU A 1 23 ? -4.749 -2.388 -4.897 0.78 27.58 ? 313 LEU L HD22 1 ATOM 409 H HD22 B LEU A 1 23 ? -7.321 -3.761 -6.076 0.22 27.91 ? 313 LEU L HD22 1 ATOM 410 H HD23 A LEU A 1 23 ? -3.749 -3.390 -5.580 0.78 27.58 ? 313 LEU L HD23 1 ATOM 411 H HD23 B LEU A 1 23 ? -8.180 -4.461 -4.959 0.22 27.91 ? 313 LEU L HD23 1 ATOM 412 N N . GLU A 1 24 ? -4.758 -7.818 -5.103 1.00 9.49 ? 314 GLU L N 1 ATOM 413 C CA . GLU A 1 24 ? -4.301 -8.772 -6.114 1.00 10.69 ? 314 GLU L CA 1 ATOM 414 C C . GLU A 1 24 ? -5.176 -10.021 -6.142 1.00 9.49 ? 314 GLU L C 1 ATOM 415 O O . GLU A 1 24 ? -5.291 -10.648 -7.187 1.00 10.62 ? 314 GLU L O 1 ATOM 416 C CB . GLU A 1 24 ? -2.838 -9.114 -5.889 1.00 13.07 ? 314 GLU L CB 1 ATOM 417 C CG . GLU A 1 24 ? -1.955 -7.902 -6.207 1.00 16.54 ? 314 GLU L CG 1 ATOM 418 C CD . GLU A 1 24 ? -0.518 -8.040 -5.804 1.00 25.41 ? 314 GLU L CD 1 ATOM 419 O OE1 . GLU A 1 24 ? -0.137 -9.112 -5.360 1.00 30.76 ? 314 GLU L OE1 1 ATOM 420 O OE2 . GLU A 1 24 ? 0.212 -7.036 -5.885 1.00 29.40 ? 314 GLU L OE2 1 ATOM 421 H H . GLU A 1 24 ? -4.214 -7.703 -4.446 1.00 11.38 ? 314 GLU L H 1 ATOM 422 H HA . GLU A 1 24 ? -4.370 -8.346 -6.994 1.00 12.81 ? 314 GLU L HA 1 ATOM 423 H HB2 . GLU A 1 24 ? -2.701 -9.360 -4.961 1.00 15.66 ? 314 GLU L HB2 1 ATOM 424 H HB3 . GLU A 1 24 ? -2.582 -9.844 -6.475 1.00 15.66 ? 314 GLU L HB3 1 ATOM 425 H HG2 . GLU A 1 24 ? -1.976 -7.748 -7.164 1.00 19.84 ? 314 GLU L HG2 1 ATOM 426 H HG3 . GLU A 1 24 ? -2.315 -7.129 -5.745 1.00 19.84 ? 314 GLU L HG3 1 ATOM 427 N N . SER A 1 25 ? -5.824 -10.378 -5.026 1.00 9.02 ? 315 SER L N 1 ATOM 428 C CA . SER A 1 25 ? -6.705 -11.541 -5.075 1.00 9.03 ? 315 SER L CA 1 ATOM 429 C C . SER A 1 25 ? -7.900 -11.320 -5.975 1.00 8.76 ? 315 SER L C 1 ATOM 430 O O . SER A 1 25 ? -8.446 -12.277 -6.484 1.00 10.27 ? 315 SER L O 1 ATOM 431 C CB . SER A 1 25 ? -7.180 -11.960 -3.683 1.00 9.46 ? 315 SER L CB 1 ATOM 432 O OG . SER A 1 25 ? -8.186 -11.104 -3.126 1.00 9.07 ? 315 SER L OG 1 ATOM 433 H H . SER A 1 25 ? -5.773 -9.983 -4.264 1.00 10.81 ? 315 SER L H 1 ATOM 434 H HA . SER A 1 25 ? -6.197 -12.292 -5.446 1.00 10.82 ? 315 SER L HA 1 ATOM 435 H HB2 . SER A 1 25 ? -7.542 -12.858 -3.741 1.00 11.34 ? 315 SER L HB2 1 ATOM 436 H HB3 . SER A 1 25 ? -6.414 -11.960 -3.087 1.00 11.34 ? 315 SER L HB3 1 ATOM 437 H HG . SER A 1 25 ? -8.362 -10.499 -3.651 1.00 10.87 ? 315 SER L HG 1 ATOM 438 N N . TYR A 1 26 ? -8.272 -10.055 -6.217 1.00 9.05 ? 316 TYR L N 1 ATOM 439 C CA . TYR A 1 26 ? -9.327 -9.765 -7.163 1.00 9.91 ? 316 TYR L CA 1 ATOM 440 C C . TYR A 1 26 ? -8.934 -10.089 -8.595 1.00 10.61 ? 316 TYR L C 1 ATOM 441 O O . TYR A 1 26 ? -9.799 -10.333 -9.429 1.00 14.73 ? 316 TYR L O 1 ATOM 442 C CB . TYR A 1 26 ? -9.806 -8.331 -7.072 1.00 10.97 ? 316 TYR L CB 1 ATOM 443 C CG . TYR A 1 26 ? -10.339 -7.921 -5.717 1.00 9.63 ? 316 TYR L CG 1 ATOM 444 C CD1 . TYR A 1 26 ? -11.193 -8.730 -4.980 1.00 10.33 ? 316 TYR L CD1 1 ATOM 445 C CD2 . TYR A 1 26 ? -9.967 -6.714 -5.168 1.00 10.15 ? 316 TYR L CD2 1 ATOM 446 C CE1 . TYR A 1 26 ? -11.667 -8.341 -3.745 1.00 10.81 ? 316 TYR L CE1 1 ATOM 447 C CE2 . TYR A 1 26 ? -10.430 -6.312 -3.945 1.00 10.42 ? 316 TYR L CE2 1 ATOM 448 C CZ . TYR A 1 26 ? -11.271 -7.138 -3.219 1.00 8.92 ? 316 TYR L CZ 1 ATOM 449 O OH . TYR A 1 26 ? -11.738 -6.733 -1.988 1.00 9.98 ? 316 TYR L OH 1 ATOM 450 H H . TYR A 1 26 ? -7.926 -9.361 -5.844 1.00 10.85 ? 316 TYR L H 1 ATOM 451 H HA . TYR A 1 26 ? -10.093 -10.335 -6.942 1.00 11.88 ? 316 TYR L HA 1 ATOM 452 H HB2 . TYR A 1 26 ? -9.064 -7.743 -7.284 1.00 13.15 ? 316 TYR L HB2 1 ATOM 453 H HB3 . TYR A 1 26 ? -10.518 -8.202 -7.718 1.00 13.15 ? 316 TYR L HB3 1 ATOM 454 H HD1 . TYR A 1 26 ? -11.455 -9.551 -5.329 1.00 12.38 ? 316 TYR L HD1 1 ATOM 455 H HD2 . TYR A 1 26 ? -9.395 -6.156 -5.643 1.00 12.16 ? 316 TYR L HD2 1 ATOM 456 H HE1 . TYR A 1 26 ? -12.236 -8.898 -3.265 1.00 12.96 ? 316 TYR L HE1 1 ATOM 457 H HE2 . TYR A 1 26 ? -10.163 -5.494 -3.592 1.00 12.49 ? 316 TYR L HE2 1 ATOM 458 H HH . TYR A 1 26 ? -12.147 -6.026 -2.061 1.00 11.97 ? 316 TYR L HH 1 ATOM 459 N N . ILE A 1 27 ? -7.635 -10.066 -8.878 1.00 11.87 ? 317 ILE L N 1 ATOM 460 C CA . ILE A 1 27 ? -7.112 -10.348 -10.193 1.00 13.74 ? 317 ILE L CA 1 ATOM 461 C C . ILE A 1 27 ? -6.917 -11.840 -10.338 1.00 14.15 ? 317 ILE L C 1 ATOM 462 O O . ILE A 1 27 ? -7.282 -12.407 -11.359 1.00 18.26 ? 317 ILE L O 1 ATOM 463 C CB . ILE A 1 27 ? -5.707 -9.647 -10.447 1.00 16.08 ? 317 ILE L CB 1 ATOM 464 C CG1 . ILE A 1 27 ? -5.706 -8.155 -10.125 1.00 20.13 ? 317 ILE L CG1 1 ATOM 465 C CG2 . ILE A 1 27 ? -5.197 -9.939 -11.874 1.00 17.93 ? 317 ILE L CG2 1 ATOM 466 C CD1 . ILE A 1 27 ? -4.276 -7.555 -10.037 1.00 24.78 ? 317 ILE L CD1 1 ATOM 467 H H . ILE A 1 27 ? -7.024 -9.884 -8.301 1.00 14.23 ? 317 ILE L H 1 ATOM 468 H HA . ILE A 1 27 ? -7.746 -10.043 -10.875 1.00 16.47 ? 317 ILE L HA 1 ATOM 469 H HB . ILE A 1 27 ? -5.077 -10.061 -9.837 1.00 19.28 ? 317 ILE L HB 1 ATOM 470 H HG12 . ILE A 1 27 ? -6.186 -7.681 -10.822 1.00 24.14 ? 317 ILE L HG12 1 ATOM 471 H HG13 . ILE A 1 27 ? -6.141 -8.016 -9.270 1.00 24.14 ? 317 ILE L HG13 1 ATOM 472 H HG21 . ILE A 1 27 ? -4.350 -9.504 -11.998 1.00 21.50 ? 317 ILE L HG21 1 ATOM 473 H HG22 . ILE A 1 27 ? -5.098 -10.887 -11.982 1.00 21.50 ? 317 ILE L HG22 1 ATOM 474 H HG23 . ILE A 1 27 ? -5.835 -9.602 -12.508 1.00 21.50 ? 317 ILE L HG23 1 ATOM 475 H HD11 . ILE A 1 27 ? -4.342 -6.619 -9.834 1.00 29.73 ? 317 ILE L HD11 1 ATOM 476 H HD12 . ILE A 1 27 ? -3.789 -8.008 -9.344 1.00 29.73 ? 317 ILE L HD12 1 ATOM 477 H HD13 . ILE A 1 27 ? -3.834 -7.676 -10.881 1.00 29.73 ? 317 ILE L HD13 1 ATOM 478 N N . ASP A 1 28 ? -6.308 -12.484 -9.328 1.00 13.46 ? 318 ASP L N 1 ATOM 479 C CA . ASP A 1 28 ? -5.771 -13.849 -9.446 1.00 14.05 ? 318 ASP L CA 1 ATOM 480 C C . ASP A 1 28 ? -6.587 -14.901 -8.731 1.00 15.07 ? 318 ASP L C 1 ATOM 481 O O . ASP A 1 28 ? -6.356 -16.098 -8.978 1.00 17.29 ? 318 ASP L O 1 ATOM 482 C CB . ASP A 1 28 ? -4.378 -13.936 -8.807 1.00 16.29 ? 318 ASP L CB 1 ATOM 483 C CG . ASP A 1 28 ? -3.316 -13.245 -9.586 1.00 18.09 ? 318 ASP L CG 1 ATOM 484 O OD1 . ASP A 1 28 ? -3.533 -12.836 -10.742 1.00 20.00 ? 318 ASP L OD1 1 ATOM 485 O OD2 . ASP A 1 28 ? -2.252 -13.067 -8.986 1.00 20.54 ? 318 ASP L OD2 1 ATOM 486 H H . ASP A 1 28 ? -6.192 -12.141 -8.548 1.00 16.14 ? 318 ASP L H 1 ATOM 487 H HA . ASP A 1 28 ? -5.700 -14.095 -10.392 1.00 16.84 ? 318 ASP L HA 1 ATOM 488 H HB2 . ASP A 1 28 ? -4.412 -13.530 -7.927 1.00 19.53 ? 318 ASP L HB2 1 ATOM 489 H HB3 . ASP A 1 28 ? -4.128 -14.870 -8.729 1.00 19.53 ? 318 ASP L HB3 1 ATOM 490 N N . GLY A 1 29 ? -7.495 -14.513 -7.836 1.00 14.38 ? 319 GLY L N 1 ATOM 491 C CA . GLY A 1 29 ? -8.174 -15.466 -6.966 1.00 14.69 ? 319 GLY L CA 1 ATOM 492 C C . GLY A 1 29 ? -9.261 -16.259 -7.651 1.00 18.10 ? 319 GLY L C 1 ATOM 493 O O . GLY A 1 29 ? -9.644 -17.322 -7.151 1.00 19.40 ? 319 GLY L O 1 ATOM 494 H H . GLY A 1 29 ? -7.736 -13.696 -7.714 1.00 17.24 ? 319 GLY L H 1 ATOM 495 H HA2 . GLY A 1 29 ? -7.523 -16.092 -6.611 1.00 17.61 ? 319 GLY L HA2 1 ATOM 496 H HA3 . GLY A 1 29 ? -8.572 -14.989 -6.221 1.00 17.61 ? 319 GLY L HA3 1 ATOM 497 N N . ARG A 1 30 ? -9.766 -15.722 -8.761 1.00 20.67 ? 320 ARG L N 1 ATOM 498 C CA . ARG A 1 30 ? -10.810 -16.335 -9.574 1.00 23.97 ? 320 ARG L CA 1 ATOM 499 C C . ARG A 1 30 ? -10.480 -16.023 -11.011 1.00 30.07 ? 320 ARG L C 1 ATOM 500 O O . ARG A 1 30 ? -9.669 -15.132 -11.282 1.00 31.92 ? 320 ARG L O 1 ATOM 501 C CB . ARG A 1 30 ? -12.196 -15.714 -9.297 1.00 24.00 ? 320 ARG L CB 1 ATOM 502 C CG . ARG A 1 30 ? -12.727 -15.848 -7.927 1.00 23.71 ? 320 ARG L CG 1 ATOM 503 C CD . ARG A 1 30 ? -14.086 -15.185 -7.799 1.00 22.39 ? 320 ARG L CD 1 ATOM 504 N NE . ARG A 1 30 ? -15.130 -15.880 -8.550 1.00 21.18 ? 320 ARG L NE 1 ATOM 505 C CZ . ARG A 1 30 ? -15.707 -17.012 -8.155 1.00 22.53 ? 320 ARG L CZ 1 ATOM 506 N NH1 . ARG A 1 30 ? -15.289 -17.616 -7.046 1.00 22.41 ? 320 ARG L NH1 1 ATOM 507 N NH2 . ARG A 1 30 ? -16.661 -17.574 -8.887 1.00 26.66 ? 320 ARG L NH2 1 ATOM 508 O OXT . ARG A 1 30 ? -11.050 -16.630 -11.914 1.00 33.03 ? 320 ARG L OXT 1 ATOM 509 H H . ARG A 1 30 ? -9.504 -14.966 -9.075 1.00 24.79 ? 320 ARG L H 1 ATOM 510 H HA . ARG A 1 30 ? -10.841 -17.305 -9.439 1.00 28.75 ? 320 ARG L HA 1 ATOM 511 H HB2 . ARG A 1 30 ? -12.147 -14.765 -9.493 1.00 28.79 ? 320 ARG L HB2 1 ATOM 512 H HB3 . ARG A 1 30 ? -12.838 -16.130 -9.894 1.00 28.79 ? 320 ARG L HB3 1 ATOM 513 H HG2 . ARG A 1 30 ? -12.824 -16.788 -7.711 1.00 28.44 ? 320 ARG L HG2 1 ATOM 514 H HG3 . ARG A 1 30 ? -12.119 -15.420 -7.304 1.00 28.44 ? 320 ARG L HG3 1 ATOM 515 H HD2 . ARG A 1 30 ? -14.345 -15.175 -6.864 1.00 26.86 ? 320 ARG L HD2 1 ATOM 516 H HD3 . ARG A 1 30 ? -14.028 -14.277 -8.136 1.00 26.86 ? 320 ARG L HD3 1 ATOM 517 H HE . ARG A 1 30 ? -15.410 -15.518 -9.278 1.00 25.40 ? 320 ARG L HE 1 ATOM 518 H HH11 . ARG A 1 30 ? -14.672 -17.256 -6.567 1.00 26.87 ? 320 ARG L HH11 1 ATOM 519 H HH12 . ARG A 1 30 ? -15.653 -18.353 -6.794 1.00 26.87 ? 320 ARG L HH12 1 ATOM 520 H HH21 . ARG A 1 30 ? -16.926 -17.195 -9.612 1.00 31.98 ? 320 ARG L HH21 1 ATOM 521 H HH22 . ARG A 1 30 ? -17.016 -18.316 -8.635 1.00 31.98 ? 320 ARG L HH22 1 ATOM 522 N N . ILE B 2 1 ? -4.869 -14.942 16.548 1.00 9.08 ? 321 ILE H N 1 ATOM 523 C CA . ILE B 2 1 ? -4.554 -15.089 15.107 1.00 9.02 ? 321 ILE H CA 1 ATOM 524 C C . ILE B 2 1 ? -3.333 -15.993 14.940 1.00 9.38 ? 321 ILE H C 1 ATOM 525 O O . ILE B 2 1 ? -2.309 -15.751 15.558 1.00 10.00 ? 321 ILE H O 1 ATOM 526 C CB . ILE B 2 1 ? -4.249 -13.730 14.463 1.00 9.04 ? 321 ILE H CB 1 ATOM 527 C CG1 . ILE B 2 1 ? -5.406 -12.721 14.619 1.00 9.19 ? 321 ILE H CG1 1 ATOM 528 C CG2 . ILE B 2 1 ? -3.856 -13.906 13.000 1.00 10.30 ? 321 ILE H CG2 1 ATOM 529 C CD1 . ILE B 2 1 ? -6.651 -13.036 13.793 1.00 9.18 ? 321 ILE H CD1 1 ATOM 530 H HA . ILE B 2 1 ? -5.314 -15.496 14.641 1.00 10.80 ? 321 ILE H HA 1 ATOM 531 H HB . ILE B 2 1 ? -3.481 -13.359 14.924 1.00 10.83 ? 321 ILE H HB 1 ATOM 532 H HG12 . ILE B 2 1 ? -5.672 -12.698 15.552 1.00 11.01 ? 321 ILE H HG12 1 ATOM 533 H HG13 . ILE B 2 1 ? -5.090 -11.844 14.350 1.00 11.01 ? 321 ILE H HG13 1 ATOM 534 H HG21 . ILE B 2 1 ? -3.671 -13.044 12.620 1.00 12.35 ? 321 ILE H HG21 1 ATOM 535 H HG22 . ILE B 2 1 ? -3.073 -14.461 12.952 1.00 12.35 ? 321 ILE H HG22 1 ATOM 536 H HG23 . ILE B 2 1 ? -4.582 -14.323 12.530 1.00 12.35 ? 321 ILE H HG23 1 ATOM 537 H HD11 . ILE B 2 1 ? -7.312 -12.358 13.954 1.00 11.00 ? 321 ILE H HD11 1 ATOM 538 H HD12 . ILE B 2 1 ? -6.414 -13.047 12.863 1.00 11.00 ? 321 ILE H HD12 1 ATOM 539 H HD13 . ILE B 2 1 ? -6.991 -13.894 14.056 1.00 11.00 ? 321 ILE H HD13 1 ATOM 540 N N . VAL B 2 2 ? -3.489 -17.046 14.148 1.00 9.33 ? 322 VAL H N 1 ATOM 541 C CA . VAL B 2 2 ? -2.433 -18.033 13.885 1.00 11.93 ? 322 VAL H CA 1 ATOM 542 C C . VAL B 2 2 ? -1.787 -17.700 12.552 1.00 11.57 ? 322 VAL H C 1 ATOM 543 O O . VAL B 2 2 ? -2.503 -17.470 11.550 1.00 11.81 ? 322 VAL H O 1 ATOM 544 C CB . VAL B 2 2 ? -3.004 -19.450 13.812 1.00 12.87 ? 322 VAL H CB 1 ATOM 545 C CG1 . VAL B 2 2 ? -1.873 -20.482 13.650 1.00 13.58 ? 322 VAL H CG1 1 ATOM 546 C CG2 . VAL B 2 2 ? -3.806 -19.756 15.059 1.00 14.70 ? 322 VAL H CG2 1 ATOM 547 H H . VAL B 2 2 ? -4.223 -17.221 13.735 1.00 11.18 ? 322 VAL H H 1 ATOM 548 H HA . VAL B 2 2 ? -1.754 -17.997 14.590 1.00 14.31 ? 322 VAL H HA 1 ATOM 549 H HB . VAL B 2 2 ? -3.600 -19.521 13.037 1.00 15.43 ? 322 VAL H HB 1 ATOM 550 H HG11 . VAL B 2 2 ? -2.256 -21.361 13.607 1.00 16.28 ? 322 VAL H HG11 1 ATOM 551 H HG12 . VAL B 2 2 ? -1.392 -20.294 12.841 1.00 16.28 ? 322 VAL H HG12 1 ATOM 552 H HG13 . VAL B 2 2 ? -1.283 -20.418 14.405 1.00 16.28 ? 322 VAL H HG13 1 ATOM 553 H HG21 . VAL B 2 2 ? -4.155 -20.648 14.995 1.00 17.62 ? 322 VAL H HG21 1 ATOM 554 H HG22 . VAL B 2 2 ? -3.231 -19.684 15.825 1.00 17.62 ? 322 VAL H HG22 1 ATOM 555 H HG23 . VAL B 2 2 ? -4.526 -19.126 15.130 1.00 17.62 ? 322 VAL H HG23 1 ATOM 556 N N . GLU B 2 3 ? -0.455 -17.660 12.539 1.00 12.24 ? 323 GLU H N 1 ATOM 557 C CA . GLU B 2 3 ? 0.317 -17.425 11.327 1.00 13.31 ? 323 GLU H CA 1 ATOM 558 C C . GLU B 2 3 ? 0.046 -16.051 10.705 1.00 12.86 ? 323 GLU H C 1 ATOM 559 O O . GLU B 2 3 ? 0.136 -15.852 9.482 1.00 14.93 ? 323 GLU H O 1 ATOM 560 C CB . GLU B 2 3 ? 0.138 -18.590 10.343 1.00 17.60 ? 323 GLU H CB 1 ATOM 561 C CG . GLU B 2 3 ? 0.581 -19.961 10.962 1.00 25.35 ? 323 GLU H CG 1 ATOM 562 C CD . GLU B 2 3 ? 2.033 -20.271 10.760 1.00 29.10 ? 323 GLU H CD 1 ATOM 563 O OE1 . GLU B 2 3 ? 2.612 -19.636 9.884 1.00 32.08 ? 323 GLU H OE1 1 ATOM 564 O OE2 . GLU B 2 3 ? 2.597 -21.159 11.454 1.00 32.82 ? 323 GLU H OE2 1 ATOM 565 H H . GLU B 2 3 ? 0.033 -17.769 13.239 1.00 14.67 ? 323 GLU H H 1 ATOM 566 H HA . GLU B 2 3 ? 1.263 -17.426 11.582 1.00 15.95 ? 323 GLU H HA 1 ATOM 567 H HB2 . GLU B 2 3 ? -0.798 -18.657 10.097 1.00 21.10 ? 323 GLU H HB2 1 ATOM 568 H HB3 . GLU B 2 3 ? 0.679 -18.426 9.555 1.00 21.10 ? 323 GLU H HB3 1 ATOM 569 H HG2 . GLU B 2 3 ? 0.411 -19.943 11.917 1.00 30.41 ? 323 GLU H HG2 1 ATOM 570 H HG3 . GLU B 2 3 ? 0.065 -20.672 10.550 1.00 30.41 ? 323 GLU H HG3 1 ATOM 571 N N . GLY B 2 4 ? -0.237 -15.082 11.568 1.00 11.36 ? 324 GLY H N 1 ATOM 572 C CA . GLY B 2 4 ? -0.327 -13.699 11.141 1.00 11.74 ? 324 GLY H CA 1 ATOM 573 C C . GLY B 2 4 ? 0.938 -12.929 11.492 1.00 12.66 ? 324 GLY H C 1 ATOM 574 O O . GLY B 2 4 ? 2.004 -13.505 11.664 1.00 14.90 ? 324 GLY H O 1 ATOM 575 H H . GLY B 2 4 ? -0.380 -15.203 12.408 1.00 13.62 ? 324 GLY H H 1 ATOM 576 H HA2 . GLY B 2 4 ? -0.459 -13.661 10.181 1.00 14.08 ? 324 GLY H HA2 1 ATOM 577 H HA3 . GLY B 2 4 ? -1.082 -13.271 11.576 1.00 14.08 ? 324 GLY H HA3 1 ATOM 578 N N . SER B 2 5 ? 0.803 -11.612 11.568 1.00 11.60 ? 325 SER H N 1 ATOM 579 C CA A SER B 2 5 ? 1.899 -10.719 11.917 0.81 13.43 ? 325 SER H CA 1 ATOM 580 C CA B SER B 2 5 ? 1.898 -10.739 11.958 0.19 13.04 ? 325 SER H CA 1 ATOM 581 C C . SER B 2 5 ? 1.366 -9.558 12.743 1.00 12.05 ? 325 SER H C 1 ATOM 582 O O . SER B 2 5 ? 0.169 -9.338 12.830 1.00 11.39 ? 325 SER H O 1 ATOM 583 C CB A SER B 2 5 ? 2.610 -10.184 10.659 0.81 15.86 ? 325 SER H CB 1 ATOM 584 C CB B SER B 2 5 ? 2.631 -10.236 10.724 0.19 14.93 ? 325 SER H CB 1 ATOM 585 O OG A SER B 2 5 ? 1.787 -9.281 9.930 0.81 18.03 ? 325 SER H OG 1 ATOM 586 O OG B SER B 2 5 ? 3.026 -11.330 9.931 0.19 15.27 ? 325 SER H OG 1 ATOM 587 H H . SER B 2 5 ? 0.064 -11.200 11.417 1.00 13.91 ? 325 SER H H 1 ATOM 588 H HA A SER B 2 5 ? 2.555 -11.207 12.457 0.81 16.10 ? 325 SER H HA 1 ATOM 589 H HA B SER B 2 5 ? 2.531 -11.232 12.521 0.19 15.63 ? 325 SER H HA 1 ATOM 590 H HB2 A SER B 2 5 ? 3.418 -9.720 10.930 0.81 19.02 ? 325 SER H HB2 1 ATOM 591 H HB2 B SER B 2 5 ? 2.037 -9.666 10.210 0.19 17.90 ? 325 SER H HB2 1 ATOM 592 H HB3 A SER B 2 5 ? 2.837 -10.932 10.086 0.81 19.02 ? 325 SER H HB3 1 ATOM 593 H HB3 B SER B 2 5 ? 3.417 -9.739 10.999 0.19 17.90 ? 325 SER H HB3 1 ATOM 594 H HG A SER B 2 5 ? 1.063 -9.196 10.306 0.81 21.62 ? 325 SER H HG 1 ATOM 595 H HG B SER B 2 5 ? 3.422 -11.064 9.263 0.19 18.31 ? 325 SER H HG 1 ATOM 596 N N . ASP B 2 6 ? 2.257 -8.772 13.327 1.00 13.99 ? 326 ASP H N 1 ATOM 597 C CA . ASP B 2 6 ? 1.874 -7.593 14.062 1.00 13.52 ? 326 ASP H CA 1 ATOM 598 C C . ASP B 2 6 ? 1.163 -6.612 13.139 1.00 12.69 ? 326 ASP H C 1 ATOM 599 O O . ASP B 2 6 ? 1.649 -6.275 12.055 1.00 15.18 ? 326 ASP H O 1 ATOM 600 C CB . ASP B 2 6 ? 3.089 -6.869 14.648 1.00 14.62 ? 326 ASP H CB 1 ATOM 601 C CG . ASP B 2 6 ? 3.794 -7.630 15.752 1.00 15.88 ? 326 ASP H CG 1 ATOM 602 O OD1 . ASP B 2 6 ? 3.370 -8.718 16.168 1.00 16.52 ? 326 ASP H OD1 1 ATOM 603 O OD2 . ASP B 2 6 ? 4.832 -7.101 16.207 1.00 19.28 ? 326 ASP H OD2 1 ATOM 604 H H . ASP B 2 6 ? 3.105 -8.909 13.309 1.00 16.77 ? 326 ASP H H 1 ATOM 605 H HA . ASP B 2 6 ? 1.268 -7.838 14.792 1.00 16.21 ? 326 ASP H HA 1 ATOM 606 H HB2 . ASP B 2 6 ? 3.732 -6.716 13.938 1.00 17.53 ? 326 ASP H HB2 1 ATOM 607 H HB3 . ASP B 2 6 ? 2.798 -6.019 15.015 1.00 17.53 ? 326 ASP H HB3 1 ATOM 608 N N . ALA B 2 7 ? 0.034 -6.090 13.581 1.00 12.10 ? 327 ALA H N 1 ATOM 609 C CA . ALA B 2 7 ? -0.578 -4.989 12.859 1.00 12.68 ? 327 ALA H CA 1 ATOM 610 C C . ALA B 2 7 ? 0.315 -3.756 12.896 1.00 13.06 ? 327 ALA H C 1 ATOM 611 O O . ALA B 2 7 ? 1.058 -3.546 13.839 1.00 13.97 ? 327 ALA H O 1 ATOM 612 C CB . ALA B 2 7 ? -1.882 -4.654 13.525 1.00 13.35 ? 327 ALA H CB 1 ATOM 613 H H . ALA B 2 7 ? -0.393 -6.347 14.282 1.00 14.51 ? 327 ALA H H 1 ATOM 614 H HA . ALA B 2 7 ? -0.744 -5.242 11.927 1.00 15.20 ? 327 ALA H HA 1 ATOM 615 H HB1 . ALA B 2 7 ? -2.295 -3.926 13.055 1.00 16.01 ? 327 ALA H HB1 1 ATOM 616 H HB2 . ALA B 2 7 ? -2.452 -5.426 13.501 1.00 16.01 ? 327 ALA H HB2 1 ATOM 617 H HB3 . ALA B 2 7 ? -1.711 -4.401 14.435 1.00 16.01 ? 327 ALA H HB3 1 ATOM 618 N N . GLU B 2 8 ? 0.194 -2.913 11.876 1.00 13.86 ? 328 GLU H N 1 ATOM 619 C CA . GLU B 2 8 ? 0.741 -1.570 11.934 1.00 15.67 ? 328 GLU H CA 1 ATOM 620 C C . GLU B 2 8 ? -0.166 -0.687 12.753 1.00 14.65 ? 328 GLU H C 1 ATOM 621 O O . GLU B 2 8 ? -1.353 -0.944 12.887 1.00 14.74 ? 328 GLU H O 1 ATOM 622 C CB . GLU B 2 8 ? 0.861 -1.011 10.531 1.00 16.13 ? 328 GLU H CB 1 ATOM 623 C CG . GLU B 2 8 ? 1.920 -1.722 9.701 1.00 19.42 ? 328 GLU H CG 1 ATOM 624 C CD . GLU B 2 8 ? 1.735 -1.501 8.216 1.00 23.12 ? 328 GLU H CD 1 ATOM 625 O OE1 . GLU B 2 8 ? 2.097 -0.435 7.700 1.00 25.07 ? 328 GLU H OE1 1 ATOM 626 O OE2 . GLU B 2 8 ? 1.221 -2.402 7.552 1.00 27.20 ? 328 GLU H OE2 1 ATOM 627 H H . GLU B 2 8 ? -0.204 -3.099 11.137 1.00 16.62 ? 328 GLU H H 1 ATOM 628 H HA . GLU B 2 8 ? 1.629 -1.588 12.347 1.00 18.79 ? 328 GLU H HA 1 ATOM 629 H HB2 . GLU B 2 8 ? 0.009 -1.110 10.078 1.00 19.34 ? 328 GLU H HB2 1 ATOM 630 H HB3 . GLU B 2 8 ? 1.101 -0.073 10.584 1.00 19.34 ? 328 GLU H HB3 1 ATOM 631 H HG2 . GLU B 2 8 ? 2.796 -1.384 9.949 1.00 23.29 ? 328 GLU H HG2 1 ATOM 632 H HG3 . GLU B 2 8 ? 1.871 -2.675 9.872 1.00 23.29 ? 328 GLU H HG3 1 ATOM 633 N N . ILE B 2 9 ? 0.396 0.372 13.293 1.00 16.53 ? 329 ILE H N 1 ATOM 634 C CA . ILE B 2 9 ? -0.368 1.320 14.072 1.00 18.37 ? 329 ILE H CA 1 ATOM 635 C C . ILE B 2 9 ? -1.471 1.938 13.229 1.00 16.95 ? 329 ILE H C 1 ATOM 636 O O . ILE B 2 9 ? -1.219 2.403 12.133 1.00 17.97 ? 329 ILE H O 1 ATOM 637 C CB . ILE B 2 9 ? 0.541 2.458 14.591 1.00 24.02 ? 329 ILE H CB 1 ATOM 638 C CG1 . ILE B 2 9 ? 1.571 1.887 15.540 1.00 28.01 ? 329 ILE H CG1 1 ATOM 639 C CG2 . ILE B 2 9 ? -0.315 3.527 15.247 1.00 26.16 ? 329 ILE H CG2 1 ATOM 640 C CD1 . ILE B 2 9 ? 0.954 1.216 16.730 1.00 29.16 ? 329 ILE H CD1 1 ATOM 641 H H . ILE B 2 9 ? 1.230 0.568 13.222 1.00 19.83 ? 329 ILE H H 1 ATOM 642 H HA . ILE B 2 9 ? -0.775 0.867 14.839 1.00 22.03 ? 329 ILE H HA 1 ATOM 643 H HB . ILE B 2 9 ? 1.004 2.854 13.835 1.00 28.80 ? 329 ILE H HB 1 ATOM 644 H HG12 . ILE B 2 9 ? 2.106 1.229 15.068 1.00 33.59 ? 329 ILE H HG12 1 ATOM 645 H HG13 . ILE B 2 9 ? 2.138 2.606 15.862 1.00 33.59 ? 329 ILE H HG13 1 ATOM 646 H HG21 . ILE B 2 9 ? 0.254 4.231 15.567 1.00 31.37 ? 329 ILE H HG21 1 ATOM 647 H HG22 . ILE B 2 9 ? -0.932 3.874 14.598 1.00 31.37 ? 329 ILE H HG22 1 ATOM 648 H HG23 . ILE B 2 9 ? -0.796 3.136 15.979 1.00 31.37 ? 329 ILE H HG23 1 ATOM 649 H HD11 . ILE B 2 9 ? 1.653 0.875 17.293 1.00 34.97 ? 329 ILE H HD11 1 ATOM 650 H HD12 . ILE B 2 9 ? 0.428 1.858 17.212 1.00 34.97 ? 329 ILE H HD12 1 ATOM 651 H HD13 . ILE B 2 9 ? 0.396 0.496 16.427 1.00 34.97 ? 329 ILE H HD13 1 ATOM 652 N N . GLY B 2 10 ? -2.704 1.899 13.730 1.00 16.25 ? 330 GLY H N 1 ATOM 653 C CA . GLY B 2 10 ? -3.833 2.485 13.022 1.00 15.82 ? 330 GLY H CA 1 ATOM 654 C C . GLY B 2 10 ? -4.314 1.706 11.818 1.00 12.82 ? 330 GLY H C 1 ATOM 655 O O . GLY B 2 10 ? -5.105 2.213 11.026 1.00 12.72 ? 330 GLY H O 1 ATOM 656 H H . GLY B 2 10 ? -2.911 1.536 14.482 1.00 19.48 ? 330 GLY H H 1 ATOM 657 H HA2 . GLY B 2 10 ? -4.578 2.572 13.637 1.00 18.97 ? 330 GLY H HA2 1 ATOM 658 H HA3 . GLY B 2 10 ? -3.588 3.374 12.722 1.00 18.97 ? 330 GLY H HA3 1 ATOM 659 N N . MET B 2 11 ? -3.852 0.465 11.683 1.00 11.44 ? 331 MET H N 1 ATOM 660 C CA . MET B 2 11 ? -4.182 -0.366 10.520 1.00 11.51 ? 331 MET H CA 1 ATOM 661 C C . MET B 2 11 ? -5.629 -0.840 10.569 1.00 10.17 ? 331 MET H C 1 ATOM 662 O O . MET B 2 11 ? -6.234 -1.083 9.524 1.00 9.36 ? 331 MET H O 1 ATOM 663 C CB . MET B 2 11 ? -3.248 -1.576 10.490 1.00 13.65 ? 331 MET H CB 1 ATOM 664 C CG . MET B 2 11 ? -3.188 -2.390 9.261 1.00 16.65 ? 331 MET H CG 1 ATOM 665 S SD . MET B 2 11 ? -2.324 -3.931 9.634 1.00 17.10 ? 331 MET H SD 1 ATOM 666 C CE . MET B 2 11 ? -1.757 -4.361 7.964 1.00 17.67 ? 331 MET H CE 1 ATOM 667 H H . MET B 2 11 ? -3.340 0.076 12.254 1.00 13.71 ? 331 MET H H 1 ATOM 668 H HA . MET B 2 11 ? -4.039 0.153 9.701 1.00 13.80 ? 331 MET H HA 1 ATOM 669 H HB2 . MET B 2 11 ? -2.347 -1.258 10.659 1.00 16.36 ? 331 MET H HB2 1 ATOM 670 H HB3 . MET B 2 11 ? -3.512 -2.172 11.208 1.00 16.36 ? 331 MET H HB3 1 ATOM 671 H HG2 . MET B 2 11 ? -4.086 -2.599 8.960 1.00 19.97 ? 331 MET H HG2 1 ATOM 672 H HG3 . MET B 2 11 ? -2.696 -1.914 8.573 1.00 19.97 ? 331 MET H HG3 1 ATOM 673 H HE1 . MET B 2 11 ? -1.265 -5.185 8.004 1.00 21.19 ? 331 MET H HE1 1 ATOM 674 H HE2 . MET B 2 11 ? -2.520 -4.462 7.391 1.00 21.19 ? 331 MET H HE2 1 ATOM 675 H HE3 . MET B 2 11 ? -1.191 -3.658 7.636 1.00 21.19 ? 331 MET H HE3 1 ATOM 676 N N . SER B 2 12 ? -6.175 -0.987 11.775 1.00 9.21 ? 332 SER H N 1 ATOM 677 C CA A SER B 2 12 ? -7.516 -1.515 12.013 0.85 8.60 ? 332 SER H CA 1 ATOM 678 C CA B SER B 2 12 ? -7.543 -1.461 11.977 0.15 9.08 ? 332 SER H CA 1 ATOM 679 C C . SER B 2 12 ? -8.224 -0.626 13.052 1.00 8.85 ? 332 SER H C 1 ATOM 680 O O . SER B 2 12 ? -8.483 -1.078 14.163 1.00 8.76 ? 332 SER H O 1 ATOM 681 C CB A SER B 2 12 ? -7.420 -2.963 12.474 0.85 9.42 ? 332 SER H CB 1 ATOM 682 C CB B SER B 2 12 ? -7.545 -2.933 12.344 0.15 8.67 ? 332 SER H CB 1 ATOM 683 O OG A SER B 2 12 ? -8.661 -3.601 12.469 0.85 10.57 ? 332 SER H OG 1 ATOM 684 O OG B SER B 2 12 ? -6.936 -3.674 11.308 0.15 8.57 ? 332 SER H OG 1 ATOM 685 H H . SER B 2 12 ? -5.766 -0.778 12.502 1.00 11.03 ? 332 SER H H 1 ATOM 686 H HA A SER B 2 12 ? -8.031 -1.488 11.179 0.85 10.31 ? 332 SER H HA 1 ATOM 687 H HA B SER B 2 12 ? -8.047 -1.354 11.143 0.15 10.89 ? 332 SER H HA 1 ATOM 688 H HB2 A SER B 2 12 ? -6.823 -3.440 11.877 0.85 11.29 ? 332 SER H HB2 1 ATOM 689 H HB2 B SER B 2 12 ? -7.044 -3.059 13.165 0.15 10.39 ? 332 SER H HB2 1 ATOM 690 H HB3 A SER B 2 12 ? -7.065 -2.979 13.376 0.85 11.29 ? 332 SER H HB3 1 ATOM 691 H HB3 B SER B 2 12 ? -8.460 -3.234 12.458 0.15 10.39 ? 332 SER H HB3 1 ATOM 692 H HG A SER B 2 12 ? -8.578 -4.377 12.721 0.85 12.67 ? 332 SER H HG 1 ATOM 693 H HG B SER B 2 12 ? -6.932 -4.472 11.498 0.15 10.27 ? 332 SER H HG 1 ATOM 694 N N . PRO B 2 13 ? -8.538 0.631 12.696 1.00 8.48 ? 333 PRO H N 1 ATOM 695 C CA . PRO B 2 13 ? -8.968 1.578 13.724 1.00 8.64 ? 333 PRO H CA 1 ATOM 696 C C . PRO B 2 13 ? -10.397 1.352 14.201 1.00 7.98 ? 333 PRO H C 1 ATOM 697 O O . PRO B 2 13 ? -10.826 1.988 15.154 1.00 8.66 ? 333 PRO H O 1 ATOM 698 C CB . PRO B 2 13 ? -8.768 2.926 13.051 1.00 9.30 ? 333 PRO H CB 1 ATOM 699 C CG . PRO B 2 13 ? -9.002 2.627 11.580 1.00 9.02 ? 333 PRO H CG 1 ATOM 700 C CD . PRO B 2 13 ? -8.364 1.276 11.383 1.00 9.15 ? 333 PRO H CD 1 ATOM 701 H HA . PRO B 2 13 ? -8.368 1.521 14.496 1.00 10.36 ? 333 PRO H HA 1 ATOM 702 H HB2 . PRO B 2 13 ? -9.420 3.563 13.383 1.00 11.15 ? 333 PRO H HB2 1 ATOM 703 H HB3 . PRO B 2 13 ? -7.863 3.241 13.202 1.00 11.15 ? 333 PRO H HB3 1 ATOM 704 H HG2 . PRO B 2 13 ? -9.953 2.591 11.397 1.00 10.81 ? 333 PRO H HG2 1 ATOM 705 H HG3 . PRO B 2 13 ? -8.567 3.299 11.032 1.00 10.81 ? 333 PRO H HG3 1 ATOM 706 H HD2 . PRO B 2 13 ? -8.833 0.777 10.696 1.00 10.96 ? 333 PRO H HD2 1 ATOM 707 H HD3 . PRO B 2 13 ? -7.422 1.373 11.175 1.00 10.96 ? 333 PRO H HD3 1 ATOM 708 N N . TRP B 2 14 ? -11.090 0.409 13.569 1.00 7.66 ? 334 TRP H N 1 ATOM 709 C CA . TRP B 2 14 ? -12.396 -0.074 14.009 1.00 6.83 ? 334 TRP H CA 1 ATOM 710 C C . TRP B 2 14 ? -12.306 -1.243 14.956 1.00 7.56 ? 334 TRP H C 1 ATOM 711 O O . TRP B 2 14 ? -13.317 -1.712 15.473 1.00 8.00 ? 334 TRP H O 1 ATOM 712 C CB . TRP B 2 14 ? -13.246 -0.470 12.794 1.00 7.58 ? 334 TRP H CB 1 ATOM 713 C CG . TRP B 2 14 ? -12.433 -1.113 11.717 1.00 7.53 ? 334 TRP H CG 1 ATOM 714 C CD1 . TRP B 2 14 ? -11.994 -2.409 11.637 1.00 8.24 ? 334 TRP H CD1 1 ATOM 715 C CD2 . TRP B 2 14 ? -11.919 -0.442 10.555 1.00 7.98 ? 334 TRP H CD2 1 ATOM 716 N NE1 . TRP B 2 14 ? -11.231 -2.567 10.489 1.00 8.58 ? 334 TRP H NE1 1 ATOM 717 C CE2 . TRP B 2 14 ? -11.170 -1.375 9.820 1.00 8.51 ? 334 TRP H CE2 1 ATOM 718 C CE3 . TRP B 2 14 ? -12.028 0.877 10.073 1.00 8.34 ? 334 TRP H CE3 1 ATOM 719 C CZ2 . TRP B 2 14 ? -10.543 -1.037 8.600 1.00 9.30 ? 334 TRP H CZ2 1 ATOM 720 C CZ3 . TRP B 2 14 ? -11.394 1.212 8.883 1.00 9.42 ? 334 TRP H CZ3 1 ATOM 721 C CH2 . TRP B 2 14 ? -10.654 0.256 8.164 1.00 9.78 ? 334 TRP H CH2 1 ATOM 722 H H . TRP B 2 14 ? -10.812 0.018 12.855 1.00 9.18 ? 334 TRP H H 1 ATOM 723 H HA . TRP B 2 14 ? -12.859 0.653 14.475 1.00 8.19 ? 334 TRP H HA 1 ATOM 724 H HB2 . TRP B 2 14 ? -13.927 -1.101 13.076 1.00 9.08 ? 334 TRP H HB2 1 ATOM 725 H HB3 . TRP B 2 14 ? -13.661 0.325 12.424 1.00 9.08 ? 334 TRP H HB3 1 ATOM 726 H HD1 . TRP B 2 14 ? -12.163 -3.073 12.265 1.00 9.87 ? 334 TRP H HD1 1 ATOM 727 H HE1 . TRP B 2 14 ? -10.858 -3.299 10.237 1.00 10.28 ? 334 TRP H HE1 1 ATOM 728 H HE3 . TRP B 2 14 ? -12.503 1.517 10.552 1.00 9.99 ? 334 TRP H HE3 1 ATOM 729 H HZ2 . TRP B 2 14 ? -10.057 -1.666 8.118 1.00 11.15 ? 334 TRP H HZ2 1 ATOM 730 H HZ3 . TRP B 2 14 ? -11.456 2.082 8.560 1.00 11.29 ? 334 TRP H HZ3 1 ATOM 731 H HH2 . TRP B 2 14 ? -10.250 0.503 7.364 1.00 11.72 ? 334 TRP H HH2 1 ATOM 732 N N . GLN B 2 15 ? -11.104 -1.769 15.222 1.00 7.78 ? 335 GLN H N 1 ATOM 733 C CA A GLN B 2 15 ? -10.994 -2.924 16.110 0.67 8.00 ? 335 GLN H CA 1 ATOM 734 C CA B GLN B 2 15 ? -10.906 -2.875 16.150 0.33 8.31 ? 335 GLN H CA 1 ATOM 735 C C . GLN B 2 15 ? -11.346 -2.505 17.543 1.00 7.76 ? 335 GLN H C 1 ATOM 736 O O . GLN B 2 15 ? -10.897 -1.484 18.065 1.00 10.13 ? 335 GLN H O 1 ATOM 737 C CB A GLN B 2 15 ? -9.585 -3.530 16.053 0.67 9.20 ? 335 GLN H CB 1 ATOM 738 C CB B GLN B 2 15 ? -9.420 -3.183 16.263 0.33 8.75 ? 335 GLN H CB 1 ATOM 739 C CG A GLN B 2 15 ? -9.343 -4.724 16.978 0.67 7.85 ? 335 GLN H CG 1 ATOM 740 C CG B GLN B 2 15 ? -9.154 -4.559 16.787 0.33 8.30 ? 335 GLN H CG 1 ATOM 741 C CD A GLN B 2 15 ? -9.986 -6.034 16.507 0.67 7.38 ? 335 GLN H CD 1 ATOM 742 C CD B GLN B 2 15 ? -9.372 -5.582 15.716 0.33 7.74 ? 335 GLN H CD 1 ATOM 743 O OE1 A GLN B 2 15 ? -9.883 -6.413 15.360 0.67 9.50 ? 335 GLN H OE1 1 ATOM 744 O OE1 B GLN B 2 15 ? -9.258 -5.274 14.543 0.33 8.56 ? 335 GLN H OE1 1 ATOM 745 N NE2 A GLN B 2 15 ? -10.630 -6.731 17.406 0.67 8.44 ? 335 GLN H NE2 1 ATOM 746 N NE2 B GLN B 2 15 ? -9.712 -6.803 16.111 0.33 7.77 ? 335 GLN H NE2 1 ATOM 747 H H . GLN B 2 15 ? -10.357 -1.481 14.907 1.00 9.32 ? 335 GLN H H 1 ATOM 748 H HA A GLN B 2 15 ? -11.633 -3.610 15.827 0.67 9.59 ? 335 GLN H HA 1 ATOM 749 H HA B GLN B 2 15 ? -11.389 -3.673 15.850 0.33 9.96 ? 335 GLN H HA 1 ATOM 750 H HB2 A GLN B 2 15 ? -9.416 -3.827 15.146 0.67 11.03 ? 335 GLN H HB2 1 ATOM 751 H HB2 B GLN B 2 15 ? -9.015 -3.113 15.384 0.33 10.48 ? 335 GLN H HB2 1 ATOM 752 H HB3 A GLN B 2 15 ? -8.945 -2.842 16.294 0.67 11.03 ? 335 GLN H HB3 1 ATOM 753 H HB3 B GLN B 2 15 ? -9.010 -2.547 16.869 0.33 10.48 ? 335 GLN H HB3 1 ATOM 754 H HG2 A GLN B 2 15 ? -8.387 -4.874 17.046 0.67 9.41 ? 335 GLN H HG2 1 ATOM 755 H HG2 B GLN B 2 15 ? -8.232 -4.619 17.084 0.33 9.94 ? 335 GLN H HG2 1 ATOM 756 H HG3 A GLN B 2 15 ? -9.704 -4.517 17.854 0.67 9.41 ? 335 GLN H HG3 1 ATOM 757 H HG3 B GLN B 2 15 ? -9.759 -4.749 17.520 0.33 9.94 ? 335 GLN H HG3 1 ATOM 758 H HE21 A GLN B 2 15 ? -11.007 -7.472 17.187 0.67 10.12 ? 335 GLN H HE21 1 ATOM 759 H HE21 B GLN B 2 15 ? -9.847 -7.421 15.528 0.33 9.31 ? 335 GLN H HE21 1 ATOM 760 H HE22 A GLN B 2 15 ? -10.677 -6.448 18.217 0.67 10.12 ? 335 GLN H HE22 1 ATOM 761 H HE22 B GLN B 2 15 ? -9.797 -6.977 16.949 0.33 9.31 ? 335 GLN H HE22 1 ATOM 762 N N . VAL B 2 16 ? -12.152 -3.344 18.180 1.00 7.37 ? 336 VAL H N 1 ATOM 763 C CA . VAL B 2 16 ? -12.585 -3.129 19.544 1.00 7.51 ? 336 VAL H CA 1 ATOM 764 C C . VAL B 2 16 ? -12.242 -4.358 20.354 1.00 7.43 ? 336 VAL H C 1 ATOM 765 O O . VAL B 2 16 ? -12.290 -5.476 19.864 1.00 8.43 ? 336 VAL H O 1 ATOM 766 C CB . VAL B 2 16 ? -14.094 -2.820 19.617 1.00 8.27 ? 336 VAL H CB 1 ATOM 767 C CG1 . VAL B 2 16 ? -14.599 -2.723 21.055 1.00 9.14 ? 336 VAL H CG1 1 ATOM 768 C CG2 . VAL B 2 16 ? -14.402 -1.572 18.840 1.00 9.56 ? 336 VAL H CG2 1 ATOM 769 H H . VAL B 2 16 ? -12.466 -4.064 17.829 1.00 8.83 ? 336 VAL H H 1 ATOM 770 H HA . VAL B 2 16 ? -12.098 -2.367 19.921 1.00 9.00 ? 336 VAL H HA 1 ATOM 771 H HB . VAL B 2 16 ? -14.579 -3.556 19.189 1.00 9.91 ? 336 VAL H HB 1 ATOM 772 H HG11 . VAL B 2 16 ? -15.539 -2.529 21.043 1.00 10.95 ? 336 VAL H HG11 1 ATOM 773 H HG12 . VAL B 2 16 ? -14.442 -3.560 21.498 1.00 10.95 ? 336 VAL H HG12 1 ATOM 774 H HG13 . VAL B 2 16 ? -14.126 -2.019 21.505 1.00 10.95 ? 336 VAL H HG13 1 ATOM 775 H HG21 . VAL B 2 16 ? -15.343 -1.394 18.896 1.00 11.46 ? 336 VAL H HG21 1 ATOM 776 H HG22 . VAL B 2 16 ? -13.907 -0.840 19.215 1.00 11.46 ? 336 VAL H HG22 1 ATOM 777 H HG23 . VAL B 2 16 ? -14.147 -1.704 17.924 1.00 11.46 ? 336 VAL H HG23 1 ATOM 778 N N . MET B 2 17 ? -11.836 -4.128 21.595 1.00 8.56 ? 337 MET H N 1 ATOM 779 C CA . MET B 2 17 ? -11.604 -5.191 22.566 1.00 8.32 ? 337 MET H CA 1 ATOM 780 C C . MET B 2 17 ? -12.773 -5.220 23.533 1.00 8.79 ? 337 MET H C 1 ATOM 781 O O . MET B 2 17 ? -13.062 -4.224 24.176 1.00 9.97 ? 337 MET H O 1 ATOM 782 C CB . MET B 2 17 ? -10.305 -4.932 23.326 1.00 10.71 ? 337 MET H CB 1 ATOM 783 C CG . MET B 2 17 ? -9.948 -6.003 24.292 1.00 12.74 ? 337 MET H CG 1 ATOM 784 S SD . MET B 2 17 ? -8.475 -5.624 25.266 1.00 14.05 ? 337 MET H SD 1 ATOM 785 C CE . MET B 2 17 ? -7.232 -5.593 24.000 1.00 13.86 ? 337 MET H CE 1 ATOM 786 H H . MET B 2 17 ? -11.684 -3.342 21.908 1.00 10.26 ? 337 MET H H 1 ATOM 787 H HA . MET B 2 17 ? -11.533 -6.053 22.104 1.00 9.97 ? 337 MET H HA 1 ATOM 788 H HB2 . MET B 2 17 ? -9.579 -4.857 22.686 1.00 12.84 ? 337 MET H HB2 1 ATOM 789 H HB3 . MET B 2 17 ? -10.393 -4.103 23.821 1.00 12.84 ? 337 MET H HB3 1 ATOM 790 H HG2 . MET B 2 17 ? -10.688 -6.130 24.906 1.00 15.28 ? 337 MET H HG2 1 ATOM 791 H HG3 . MET B 2 17 ? -9.780 -6.824 23.803 1.00 15.28 ? 337 MET H HG3 1 ATOM 792 H HE1 . MET B 2 17 ? -6.382 -5.397 24.403 1.00 16.61 ? 337 MET H HE1 1 ATOM 793 H HE2 . MET B 2 17 ? -7.201 -6.451 23.571 1.00 16.61 ? 337 MET H HE2 1 ATOM 794 H HE3 . MET B 2 17 ? -7.455 -4.914 23.360 1.00 16.61 ? 337 MET H HE3 1 ATOM 795 N N . LEU B 2 18 ? -13.432 -6.366 23.655 1.00 8.98 ? 338 LEU H N 1 ATOM 796 C CA . LEU B 2 18 ? -14.459 -6.583 24.680 1.00 10.14 ? 338 LEU H CA 1 ATOM 797 C C . LEU B 2 18 ? -13.763 -7.118 25.907 1.00 10.90 ? 338 LEU H C 1 ATOM 798 O O . LEU B 2 18 ? -13.031 -8.107 25.824 1.00 11.94 ? 338 LEU H O 1 ATOM 799 C CB . LEU B 2 18 ? -15.529 -7.582 24.192 1.00 11.44 ? 338 LEU H CB 1 ATOM 800 C CG . LEU B 2 18 ? -16.684 -7.882 25.124 1.00 16.22 ? 338 LEU H CG 1 ATOM 801 C CD1 . LEU B 2 18 ? -17.535 -6.641 25.340 1.00 17.31 ? 338 LEU H CD1 1 ATOM 802 C CD2 . LEU B 2 18 ? -17.562 -9.000 24.596 1.00 19.66 ? 338 LEU H CD2 1 ATOM 803 H H . LEU B 2 18 ? -13.304 -7.048 23.149 1.00 10.76 ? 338 LEU H H 1 ATOM 804 H HA . LEU B 2 18 ? -14.894 -5.734 24.904 1.00 12.16 ? 338 LEU H HA 1 ATOM 805 H HB2 . LEU B 2 18 ? -15.910 -7.235 23.370 1.00 13.72 ? 338 LEU H HB2 1 ATOM 806 H HB3 . LEU B 2 18 ? -15.088 -8.426 24.006 1.00 13.72 ? 338 LEU H HB3 1 ATOM 807 H HG . LEU B 2 18 ? -16.333 -8.158 25.985 1.00 19.45 ? 338 LEU H HG 1 ATOM 808 H HD11 . LEU B 2 18 ? -18.258 -6.858 25.932 1.00 20.75 ? 338 LEU H HD11 1 ATOM 809 H HD12 . LEU B 2 18 ? -16.989 -5.952 25.726 1.00 20.75 ? 338 LEU H HD12 1 ATOM 810 H HD13 . LEU B 2 18 ? -17.881 -6.349 24.493 1.00 20.75 ? 338 LEU H HD13 1 ATOM 811 H HD21 . LEU B 2 18 ? -18.278 -9.154 25.217 1.00 23.57 ? 338 LEU H HD21 1 ATOM 812 H HD22 . LEU B 2 18 ? -17.918 -8.741 23.743 1.00 23.57 ? 338 LEU H HD22 1 ATOM 813 H HD23 . LEU B 2 18 ? -17.032 -9.795 24.502 1.00 23.57 ? 338 LEU H HD23 1 ATOM 814 N N . PHE B 2 19 ? -13.966 -6.436 27.026 1.00 11.49 ? 339 PHE H N 1 ATOM 815 C CA . PHE B 2 19 ? -13.169 -6.665 28.208 1.00 13.34 ? 339 PHE H CA 1 ATOM 816 C C . PHE B 2 19 ? -14.085 -6.957 29.390 1.00 14.79 ? 339 PHE H C 1 ATOM 817 O O . PHE B 2 19 ? -15.056 -6.243 29.656 1.00 15.92 ? 339 PHE H O 1 ATOM 818 C CB . PHE B 2 19 ? -12.338 -5.390 28.452 1.00 14.84 ? 339 PHE H CB 1 ATOM 819 C CG . PHE B 2 19 ? -11.141 -5.591 29.302 1.00 14.73 ? 339 PHE H CG 1 ATOM 820 C CD1 . PHE B 2 19 ? -9.998 -6.196 28.791 1.00 16.43 ? 339 PHE H CD1 1 ATOM 821 C CD2 . PHE B 2 19 ? -11.139 -5.159 30.620 1.00 16.92 ? 339 PHE H CD2 1 ATOM 822 C CE1 . PHE B 2 19 ? -8.894 -6.378 29.572 1.00 18.30 ? 339 PHE H CE1 1 ATOM 823 C CE2 . PHE B 2 19 ? -10.027 -5.330 31.416 1.00 19.34 ? 339 PHE H CE2 1 ATOM 824 C CZ . PHE B 2 19 ? -8.902 -5.939 30.884 1.00 19.41 ? 339 PHE H CZ 1 ATOM 825 H H . PHE B 2 19 ? -14.569 -5.830 27.122 1.00 13.77 ? 339 PHE H H 1 ATOM 826 H HA . PHE B 2 19 ? -12.565 -7.424 28.070 1.00 15.99 ? 339 PHE H HA 1 ATOM 827 H HB2 . PHE B 2 19 ? -12.037 -5.047 27.596 1.00 17.79 ? 339 PHE H HB2 1 ATOM 828 H HB3 . PHE B 2 19 ? -12.901 -4.731 28.888 1.00 17.79 ? 339 PHE H HB3 1 ATOM 829 H HD1 . PHE B 2 19 ? -9.989 -6.489 27.909 1.00 19.70 ? 339 PHE H HD1 1 ATOM 830 H HD2 . PHE B 2 19 ? -11.896 -4.747 30.970 1.00 20.29 ? 339 PHE H HD2 1 ATOM 831 H HE1 . PHE B 2 19 ? -8.135 -6.784 29.221 1.00 21.94 ? 339 PHE H HE1 1 ATOM 832 H HE2 . PHE B 2 19 ? -10.033 -5.040 32.300 1.00 23.19 ? 339 PHE H HE2 1 ATOM 833 H HZ . PHE B 2 19 ? -8.150 -6.063 31.417 1.00 23.27 ? 339 PHE H HZ 1 ATOM 834 N N . ARG B 2 20 ? -13.761 -8.013 30.126 1.00 14.17 ? 340 ARG H N 1 ATOM 835 C CA . ARG B 2 20 ? -14.490 -8.349 31.345 1.00 14.82 ? 340 ARG H CA 1 ATOM 836 C C . ARG B 2 20 ? -14.005 -7.457 32.468 1.00 13.88 ? 340 ARG H C 1 ATOM 837 O O . ARG B 2 20 ? -12.801 -7.286 32.651 1.00 15.23 ? 340 ARG H O 1 ATOM 838 C CB . ARG B 2 20 ? -14.200 -9.799 31.708 1.00 16.76 ? 340 ARG H CB 1 ATOM 839 C CG . ARG B 2 20 ? -15.099 -10.390 32.760 1.00 20.58 ? 340 ARG H CG 1 ATOM 840 C CD . ARG B 2 20 ? -14.724 -11.832 32.995 1.00 29.24 ? 340 ARG H CD 1 ATOM 841 N NE . ARG B 2 20 ? -15.783 -12.533 33.689 1.00 35.33 ? 340 ARG H NE 1 ATOM 842 C CZ . ARG B 2 20 ? -15.861 -13.851 33.757 1.00 38.77 ? 340 ARG H CZ 1 ATOM 843 N NH1 . ARG B 2 20 ? -16.856 -14.424 34.420 1.00 41.40 ? 340 ARG H NH1 1 ATOM 844 N NH2 . ARG B 2 20 ? -14.932 -14.591 33.160 1.00 40.13 ? 340 ARG H NH2 1 ATOM 845 H H . ARG B 2 20 ? -13.120 -8.555 29.941 1.00 16.99 ? 340 ARG H H 1 ATOM 846 H HA . ARG B 2 20 ? -15.454 -8.226 31.217 1.00 17.77 ? 340 ARG H HA 1 ATOM 847 H HB2 . ARG B 2 20 ? -14.292 -10.341 30.909 1.00 20.10 ? 340 ARG H HB2 1 ATOM 848 H HB3 . ARG B 2 20 ? -13.289 -9.858 32.037 1.00 20.10 ? 340 ARG H HB3 1 ATOM 849 H HG2 . ARG B 2 20 ? -14.992 -9.902 33.592 1.00 24.68 ? 340 ARG H HG2 1 ATOM 850 H HG3 . ARG B 2 20 ? -16.020 -10.354 32.459 1.00 24.68 ? 340 ARG H HG3 1 ATOM 851 H HD2 . ARG B 2 20 ? -14.575 -12.269 32.142 1.00 35.07 ? 340 ARG H HD2 1 ATOM 852 H HD3 . ARG B 2 20 ? -13.922 -11.872 33.540 1.00 35.07 ? 340 ARG H HD3 1 ATOM 853 H HE . ARG B 2 20 ? -16.460 -12.075 33.957 1.00 42.38 ? 340 ARG H HE 1 ATOM 854 H HH11 . ARG B 2 20 ? -17.454 -13.939 34.803 1.00 49.67 ? 340 ARG H HH11 1 ATOM 855 H HH12 . ARG B 2 20 ? -16.908 -15.282 34.461 1.00 49.67 ? 340 ARG H HH12 1 ATOM 856 H HH21 . ARG B 2 20 ? -14.288 -14.212 32.734 1.00 48.15 ? 340 ARG H HH21 1 ATOM 857 H HH22 . ARG B 2 20 ? -14.975 -15.449 33.198 1.00 48.15 ? 340 ARG H HH22 1 ATOM 858 N N . LYS B 2 21 ? -14.926 -6.959 33.274 1.00 15.15 ? 341 LYS H N 1 ATOM 859 C CA . LYS B 2 21 ? -14.525 -6.090 34.368 1.00 16.44 ? 341 LYS H CA 1 ATOM 860 C C . LYS B 2 21 ? -13.916 -6.843 35.517 1.00 19.94 ? 341 LYS H C 1 ATOM 861 O O . LYS B 2 21 ? -13.007 -6.340 36.157 1.00 22.55 ? 341 LYS H O 1 ATOM 862 C CB . LYS B 2 21 ? -15.712 -5.309 34.893 1.00 16.07 ? 341 LYS H CB 1 ATOM 863 C CG . LYS B 2 21 ? -16.267 -4.250 33.967 1.00 16.06 ? 341 LYS H CG 1 ATOM 864 C CD . LYS B 2 21 ? -17.218 -3.358 34.760 1.00 16.23 ? 341 LYS H CD 1 ATOM 865 C CE . LYS B 2 21 ? -18.040 -2.434 33.877 1.00 16.89 ? 341 LYS H CE 1 ATOM 866 N NZ . LYS B 2 21 ? -18.786 -1.470 34.727 1.00 18.10 ? 341 LYS H NZ 1 ATOM 867 H H . LYS B 2 21 ? -15.771 -7.104 33.213 1.00 18.16 ? 341 LYS H H 1 ATOM 868 H HA . LYS B 2 21 ? -13.860 -5.449 34.039 1.00 19.72 ? 341 LYS H HA 1 ATOM 869 H HB2 . LYS B 2 21 ? -16.430 -5.933 35.082 1.00 19.27 ? 341 LYS H HB2 1 ATOM 870 H HB3 . LYS B 2 21 ? -15.447 -4.865 35.714 1.00 19.27 ? 341 LYS H HB3 1 ATOM 871 H HG2 . LYS B 2 21 ? -15.544 -3.705 33.620 1.00 19.26 ? 341 LYS H HG2 1 ATOM 872 H HG3 . LYS B 2 21 ? -16.760 -4.670 33.246 1.00 19.26 ? 341 LYS H HG3 1 ATOM 873 H HD2 . LYS B 2 21 ? -17.832 -3.918 35.260 1.00 19.47 ? 341 LYS H HD2 1 ATOM 874 H HD3 . LYS B 2 21 ? -16.701 -2.808 35.368 1.00 19.47 ? 341 LYS H HD3 1 ATOM 875 H HE2 . LYS B 2 21 ? -17.452 -1.937 33.287 1.00 20.26 ? 341 LYS H HE2 1 ATOM 876 H HE3 . LYS B 2 21 ? -18.679 -2.955 33.365 1.00 20.26 ? 341 LYS H HE3 1 ATOM 877 H HZ1 . LYS B 2 21 ? -19.270 -0.925 34.216 1.00 21.71 ? 341 LYS H HZ1 1 ATOM 878 H HZ2 . LYS B 2 21 ? -19.330 -1.909 35.279 1.00 21.71 ? 341 LYS H HZ2 1 ATOM 879 H HZ3 . LYS B 2 21 ? -18.216 -0.985 35.208 1.00 21.71 ? 341 LYS H HZ3 1 ATOM 880 N N . SER B 2 22 ? -14.438 -8.017 35.827 1.00 22.29 ? 342 SER H N 1 ATOM 881 C CA A SER B 2 22 ? -13.979 -8.758 36.990 0.20 27.11 ? 342 SER H CA 1 ATOM 882 C CA B SER B 2 22 ? -13.987 -8.760 36.991 0.80 27.85 ? 342 SER H CA 1 ATOM 883 C C . SER B 2 22 ? -14.177 -10.250 36.794 1.00 28.29 ? 342 SER H C 1 ATOM 884 O O . SER B 2 22 ? -15.303 -10.711 36.699 1.00 30.76 ? 342 SER H O 1 ATOM 885 C CB A SER B 2 22 ? -14.735 -8.295 38.236 0.20 29.99 ? 342 SER H CB 1 ATOM 886 C CB B SER B 2 22 ? -14.793 -8.309 38.206 0.80 32.15 ? 342 SER H CB 1 ATOM 887 O OG A SER B 2 22 ? -16.126 -8.165 37.985 0.20 31.17 ? 342 SER H OG 1 ATOM 888 O OG B SER B 2 22 ? -14.412 -9.005 39.377 0.80 34.59 ? 342 SER H OG 1 ATOM 889 H H . SER B 2 22 ? -15.059 -8.408 35.379 1.00 26.73 ? 342 SER H H 1 ATOM 890 H HA A SER B 2 22 ? -13.024 -8.588 37.128 0.20 32.52 ? 342 SER H HA 1 ATOM 891 H HA B SER B 2 22 ? -13.038 -8.580 37.155 0.80 33.40 ? 342 SER H HA 1 ATOM 892 H HB2 A SER B 2 22 ? -14.604 -8.946 38.942 0.20 35.97 ? 342 SER H HB2 1 ATOM 893 H HB2 B SER B 2 22 ? -14.644 -7.360 38.345 0.80 38.57 ? 342 SER H HB2 1 ATOM 894 H HB3 A SER B 2 22 ? -14.385 -7.433 38.512 0.20 35.97 ? 342 SER H HB3 1 ATOM 895 H HB3 B SER B 2 22 ? -15.733 -8.473 38.037 0.80 38.57 ? 342 SER H HB3 1 ATOM 896 H HG A SER B 2 22 ? -16.290 -8.362 37.206 0.20 37.38 ? 342 SER H HG 1 ATOM 897 H HG B SER B 2 22 ? -14.857 -8.746 40.015 0.80 41.49 ? 342 SER H HG 1 ATOM 898 N N . PRO B 2 23 ? -13.069 -11.010 36.709 1.00 29.42 ? 343 PRO H N 1 ATOM 899 C CA . PRO B 2 23 ? -11.700 -10.499 36.714 1.00 28.77 ? 343 PRO H CA 1 ATOM 900 C C . PRO B 2 23 ? -11.430 -9.735 35.431 1.00 24.06 ? 343 PRO H C 1 ATOM 901 O O . PRO B 2 23 ? -12.122 -9.916 34.437 1.00 22.88 ? 343 PRO H O 1 ATOM 902 C CB . PRO B 2 23 ? -10.844 -11.764 36.768 1.00 30.87 ? 343 PRO H CB 1 ATOM 903 C CG . PRO B 2 23 ? -11.688 -12.821 36.150 1.00 32.54 ? 343 PRO H CG 1 ATOM 904 C CD . PRO B 2 23 ? -13.103 -12.477 36.573 1.00 31.87 ? 343 PRO H CD 1 ATOM 905 H HA . PRO B 2 23 ? -11.530 -9.934 37.496 1.00 34.51 ? 343 PRO H HA 1 ATOM 906 H HB2 . PRO B 2 23 ? -10.030 -11.632 36.258 1.00 37.03 ? 343 PRO H HB2 1 ATOM 907 H HB3 . PRO B 2 23 ? -10.640 -11.983 37.691 1.00 37.03 ? 343 PRO H HB3 1 ATOM 908 H HG2 . PRO B 2 23 ? -11.600 -12.789 35.184 1.00 39.03 ? 343 PRO H HG2 1 ATOM 909 H HG3 . PRO B 2 23 ? -11.428 -13.691 36.492 1.00 39.03 ? 343 PRO H HG3 1 ATOM 910 H HD2 . PRO B 2 23 ? -13.735 -12.739 35.885 1.00 38.23 ? 343 PRO H HD2 1 ATOM 911 H HD3 . PRO B 2 23 ? -13.311 -12.891 37.425 1.00 38.23 ? 343 PRO H HD3 1 ATOM 912 N N . GLN B 2 24 ? -10.421 -8.890 35.463 1.00 21.87 ? 344 GLN H N 1 ATOM 913 C CA . GLN B 2 24 ? -10.040 -8.094 34.318 1.00 19.42 ? 344 GLN H CA 1 ATOM 914 C C . GLN B 2 24 ? -9.419 -9.001 33.246 1.00 21.99 ? 344 GLN H C 1 ATOM 915 O O . GLN B 2 24 ? -8.336 -9.540 33.429 1.00 26.65 ? 344 GLN H O 1 ATOM 916 C CB . GLN B 2 24 ? -9.074 -6.968 34.781 1.00 20.23 ? 344 GLN H CB 1 ATOM 917 C CG . GLN B 2 24 ? -9.707 -5.934 35.804 1.00 21.73 ? 344 GLN H CG 1 ATOM 918 C CD . GLN B 2 24 ? -10.164 -4.638 35.106 1.00 22.00 ? 344 GLN H CD 1 ATOM 919 O OE1 . GLN B 2 24 ? -9.337 -3.969 34.471 1.00 24.29 ? 344 GLN H OE1 1 ATOM 920 N NE2 . GLN B 2 24 ? -11.484 -4.310 35.157 1.00 18.58 ? 344 GLN H NE2 1 ATOM 921 H H . GLN B 2 24 ? -9.929 -8.756 36.155 1.00 26.23 ? 344 GLN H H 1 ATOM 922 H HA . GLN B 2 24 ? -10.840 -7.674 33.937 1.00 23.29 ? 344 GLN H HA 1 ATOM 923 H HB2 . GLN B 2 24 ? -8.307 -7.375 35.213 1.00 24.26 ? 344 GLN H HB2 1 ATOM 924 H HB3 . GLN B 2 24 ? -8.784 -6.469 34.002 1.00 24.26 ? 344 GLN H HB3 1 ATOM 925 H HG2 . GLN B 2 24 ? -10.480 -6.338 36.228 1.00 26.06 ? 344 GLN H HG2 1 ATOM 926 H HG3 . GLN B 2 24 ? -9.043 -5.700 36.472 1.00 26.06 ? 344 GLN H HG3 1 ATOM 927 H HE21 . GLN B 2 24 ? -11.764 -3.592 34.776 1.00 22.28 ? 344 GLN H HE21 1 ATOM 928 H HE22 . GLN B 2 24 ? -12.038 -4.822 35.571 1.00 22.28 ? 344 GLN H HE22 1 ATOM 929 N N . GLU B 2 25 ? -10.108 -9.194 32.125 1.00 20.07 ? 345 GLU H N 1 ATOM 930 C CA . GLU B 2 25 ? -9.540 -10.003 31.053 1.00 20.91 ? 345 GLU H CA 1 ATOM 931 C C . GLU B 2 25 ? -10.196 -9.763 29.710 1.00 16.86 ? 345 GLU H C 1 ATOM 932 O O . GLU B 2 25 ? -11.324 -9.334 29.623 1.00 15.95 ? 345 GLU H O 1 ATOM 933 C CB . GLU B 2 25 ? -9.659 -11.483 31.389 1.00 25.62 ? 345 GLU H CB 1 ATOM 934 C CG . GLU B 2 25 ? -11.077 -11.993 31.440 1.00 27.41 ? 345 GLU H CG 1 ATOM 935 C CD . GLU B 2 25 ? -11.173 -13.459 31.851 1.00 31.53 ? 345 GLU H CD 1 ATOM 936 O OE1 . GLU B 2 25 ? -10.153 -14.008 32.318 1.00 35.92 ? 345 GLU H OE1 1 ATOM 937 O OE2 . GLU B 2 25 ? -12.270 -14.054 31.696 1.00 30.60 ? 345 GLU H OE2 1 ATOM 938 H H . GLU B 2 25 ? -10.890 -8.875 31.963 1.00 24.07 ? 345 GLU H H 1 ATOM 939 H HA . GLU B 2 25 ? -8.588 -9.789 30.965 1.00 25.07 ? 345 GLU H HA 1 ATOM 940 H HB2 . GLU B 2 25 ? -9.185 -11.995 30.715 1.00 30.73 ? 345 GLU H HB2 1 ATOM 941 H HB3 . GLU B 2 25 ? -9.259 -11.638 32.259 1.00 30.73 ? 345 GLU H HB3 1 ATOM 942 H HG2 . GLU B 2 25 ? -11.577 -11.468 32.085 1.00 32.87 ? 345 GLU H HG2 1 ATOM 943 H HG3 . GLU B 2 25 ? -11.475 -11.902 30.560 1.00 32.87 ? 345 GLU H HG3 1 ATOM 944 N N . LEU B 2 26 ? -9.431 -10.029 28.669 1.00 16.45 ? 346 LEU H N 1 ATOM 945 C CA A LEU B 2 26 ? -9.908 -9.977 27.304 0.40 15.20 ? 346 LEU H CA 1 ATOM 946 C CA B LEU B 2 26 ? -9.931 -9.951 27.328 0.60 14.67 ? 346 LEU H CA 1 ATOM 947 C C . LEU B 2 26 ? -10.968 -11.040 27.147 1.00 14.54 ? 346 LEU H C 1 ATOM 948 O O . LEU B 2 26 ? -10.736 -12.182 27.476 1.00 18.99 ? 346 LEU H O 1 ATOM 949 C CB A LEU B 2 26 ? -8.741 -10.263 26.340 0.40 17.72 ? 346 LEU H CB 1 ATOM 950 C CB B LEU B 2 26 ? -8.778 -10.136 26.337 0.60 18.04 ? 346 LEU H CB 1 ATOM 951 C CG A LEU B 2 26 ? -9.038 -10.442 24.840 0.40 21.04 ? 346 LEU H CG 1 ATOM 952 C CG B LEU B 2 26 ? -9.204 -9.881 24.898 0.60 20.07 ? 346 LEU H CG 1 ATOM 953 C CD1 A LEU B 2 26 ? -9.618 -11.799 24.542 0.40 21.93 ? 346 LEU H CD1 1 ATOM 954 C CD1 B LEU B 2 26 ? -8.026 -9.402 24.099 0.60 22.17 ? 346 LEU H CD1 1 ATOM 955 C CD2 A LEU B 2 26 ? -9.945 -9.355 24.335 0.40 21.78 ? 346 LEU H CD2 1 ATOM 956 C CD2 B LEU B 2 26 ? -9.728 -11.152 24.322 0.60 19.47 ? 346 LEU H CD2 1 ATOM 957 H H . LEU B 2 26 ? -8.602 -10.249 28.732 1.00 19.72 ? 346 LEU H H 1 ATOM 958 H HA A LEU B 2 26 ? -10.291 -9.098 27.105 0.40 18.23 ? 346 LEU H HA 1 ATOM 959 H HA B LEU B 2 26 ? -10.351 -9.078 27.174 0.60 17.59 ? 346 LEU H HA 1 ATOM 960 H HB2 A LEU B 2 26 ? -8.111 -9.529 26.413 0.40 21.25 ? 346 LEU H HB2 1 ATOM 961 H HB2 B LEU B 2 26 ? -8.069 -9.512 26.556 0.60 21.63 ? 346 LEU H HB2 1 ATOM 962 H HB3 A LEU B 2 26 ? -8.307 -11.079 26.636 0.40 21.25 ? 346 LEU H HB3 1 ATOM 963 H HB3 B LEU B 2 26 ? -8.451 -11.047 26.397 0.60 21.63 ? 346 LEU H HB3 1 ATOM 964 H HG A LEU B 2 26 ? -8.203 -10.371 24.353 0.40 25.23 ? 346 LEU H HG 1 ATOM 965 H HG B LEU B 2 26 ? -9.902 -9.208 24.871 0.60 24.07 ? 346 LEU H HG 1 ATOM 966 H HD11 A LEU B 2 26 ? -9.787 -11.866 23.599 0.40 26.30 ? 346 LEU H HD11 1 ATOM 967 H HD11 B LEU B 2 26 ? -8.306 -9.245 23.194 0.60 26.59 ? 346 LEU H HD11 1 ATOM 968 H HD12 A LEU B 2 26 ? -8.989 -12.473 24.811 0.40 26.30 ? 346 LEU H HD12 1 ATOM 969 H HD12 B LEU B 2 26 ? -7.696 -8.588 24.486 0.60 26.59 ? 346 LEU H HD12 1 ATOM 970 H HD13 A LEU B 2 26 ? -10.438 -11.903 25.031 0.40 26.30 ? 346 LEU H HD13 1 ATOM 971 H HD13 B LEU B 2 26 ? -7.341 -10.075 24.118 0.60 26.59 ? 346 LEU H HD13 1 ATOM 972 H HD21 A LEU B 2 26 ? -10.110 -9.495 23.400 0.40 26.12 ? 346 LEU H HD21 1 ATOM 973 H HD21 B LEU B 2 26 ? -9.997 -10.996 23.414 0.60 23.35 ? 346 LEU H HD21 1 ATOM 974 H HD22 A LEU B 2 26 ? -10.771 -9.386 24.823 0.40 26.12 ? 346 LEU H HD22 1 ATOM 975 H HD22 B LEU B 2 26 ? -9.034 -11.816 24.348 0.60 23.35 ? 346 LEU H HD22 1 ATOM 976 H HD23 A LEU B 2 26 ? -9.518 -8.505 24.469 0.40 26.12 ? 346 LEU H HD23 1 ATOM 977 H HD23 B LEU B 2 26 ? -10.480 -11.444 24.842 0.60 23.35 ? 346 LEU H HD23 1 ATOM 978 N N . LEU B 2 27 ? -12.123 -10.670 26.632 1.00 12.70 ? 347 LEU H N 1 ATOM 979 C CA . LEU B 2 27 ? -13.137 -11.693 26.295 1.00 13.63 ? 347 LEU H CA 1 ATOM 980 C C . LEU B 2 27 ? -13.232 -12.007 24.813 1.00 13.82 ? 347 LEU H C 1 ATOM 981 O O . LEU B 2 27 ? -13.437 -13.153 24.416 1.00 17.17 ? 347 LEU H O 1 ATOM 982 C CB . LEU B 2 27 ? -14.511 -11.249 26.732 1.00 16.40 ? 347 LEU H CB 1 ATOM 983 C CG . LEU B 2 27 ? -14.687 -11.227 28.230 1.00 18.68 ? 347 LEU H CG 1 ATOM 984 C CD1 . LEU B 2 27 ? -16.009 -10.584 28.545 1.00 19.38 ? 347 LEU H CD1 1 ATOM 985 C CD2 . LEU B 2 27 ? -14.595 -12.623 28.827 1.00 21.31 ? 347 LEU H CD2 1 ATOM 986 H H . LEU B 2 27 ? -12.356 -9.859 26.466 1.00 15.23 ? 347 LEU H H 1 ATOM 987 H HA . LEU B 2 27 ? -12.922 -12.524 26.768 1.00 16.34 ? 347 LEU H HA 1 ATOM 988 H HB2 . LEU B 2 27 ? -14.670 -10.352 26.400 1.00 19.67 ? 347 LEU H HB2 1 ATOM 989 H HB3 . LEU B 2 27 ? -15.169 -11.859 26.363 1.00 19.67 ? 347 LEU H HB3 1 ATOM 990 H HG . LEU B 2 27 ? -13.987 -10.684 28.624 1.00 22.41 ? 347 LEU H HG 1 ATOM 991 H HD11 . LEU B 2 27 ? -16.129 -10.567 29.497 1.00 23.24 ? 347 LEU H HD11 1 ATOM 992 H HD12 . LEU B 2 27 ? -16.011 -9.689 28.198 1.00 23.24 ? 347 LEU H HD12 1 ATOM 993 H HD13 . LEU B 2 27 ? -16.711 -11.096 28.136 1.00 23.24 ? 347 LEU H HD13 1 ATOM 994 H HD21 . LEU B 2 27 ? -14.712 -12.564 29.778 1.00 25.56 ? 347 LEU H HD21 1 ATOM 995 H HD22 . LEU B 2 27 ? -15.283 -13.172 28.445 1.00 25.56 ? 347 LEU H HD22 1 ATOM 996 H HD23 . LEU B 2 27 ? -13.732 -12.992 28.626 1.00 25.56 ? 347 LEU H HD23 1 ATOM 997 N N . CYS B 2 28 ? -13.138 -10.981 23.986 1.00 10.88 ? 348 CYS H N 1 ATOM 998 C CA . CYS B 2 28 ? -13.456 -11.106 22.572 1.00 9.65 ? 348 CYS H CA 1 ATOM 999 C C . CYS B 2 28 ? -13.006 -9.870 21.848 1.00 8.11 ? 348 CYS H C 1 ATOM 1000 O O . CYS B 2 28 ? -12.724 -8.847 22.468 1.00 9.28 ? 348 CYS H O 1 ATOM 1001 C CB . CYS B 2 28 ? -15.006 -11.270 22.343 1.00 11.39 ? 348 CYS H CB 1 ATOM 1002 S SG . CYS B 2 28 ? -15.624 -12.960 22.439 1.00 11.56 ? 348 CYS H SG 1 ATOM 1003 H H . CYS B 2 28 ? -12.890 -10.191 24.220 1.00 13.04 ? 348 CYS H H 1 ATOM 1004 H HA . CYS B 2 28 ? -12.995 -11.883 22.193 1.00 11.57 ? 348 CYS H HA 1 ATOM 1005 H HB2 . CYS B 2 28 ? -15.474 -10.751 23.015 1.00 13.65 ? 348 CYS H HB2 1 ATOM 1006 H HB3 . CYS B 2 28 ? -15.224 -10.931 21.461 1.00 13.65 ? 348 CYS H HB3 1 ATOM 1007 N N . GLY B 2 29 ? -13.010 -9.983 20.545 1.00 8.13 ? 349 GLY H N 1 ATOM 1008 C CA . GLY B 2 29 ? -12.952 -8.843 19.677 1.00 6.92 ? 349 GLY H CA 1 ATOM 1009 C C . GLY B 2 29 ? -14.356 -8.329 19.339 1.00 6.72 ? 349 GLY H C 1 ATOM 1010 O O . GLY B 2 29 ? -15.371 -8.921 19.719 1.00 7.44 ? 349 GLY H O 1 ATOM 1011 H H . GLY B 2 29 ? -13.048 -10.734 20.128 1.00 9.74 ? 349 GLY H H 1 ATOM 1012 H HA2 . GLY B 2 29 ? -12.454 -8.130 20.106 1.00 8.28 ? 349 GLY H HA2 1 ATOM 1013 H HA3 . GLY B 2 29 ? -12.502 -9.084 18.852 1.00 8.28 ? 349 GLY H HA3 1 ATOM 1014 N N . ALA B 2 30 ? -14.391 -7.227 18.620 1.00 6.83 ? 350 ALA H N 1 ATOM 1015 C CA . ALA B 2 30 ? -15.604 -6.515 18.259 1.00 6.76 ? 350 ALA H CA 1 ATOM 1016 C C . ALA B 2 30 ? -15.188 -5.448 17.236 1.00 6.48 ? 350 ALA H C 1 ATOM 1017 O O . ALA B 2 30 ? -13.981 -5.283 16.960 1.00 7.07 ? 350 ALA H O 1 ATOM 1018 C CB . ALA B 2 30 ? -16.273 -5.920 19.476 1.00 7.91 ? 350 ALA H CB 1 ATOM 1019 H H . ALA B 2 30 ? -13.683 -6.849 18.312 1.00 8.18 ? 350 ALA H H 1 ATOM 1020 H HA . ALA B 2 30 ? -16.232 -7.133 17.828 1.00 8.10 ? 350 ALA H HA 1 ATOM 1021 H HB1 . ALA B 2 30 ? -17.069 -5.459 19.202 1.00 9.47 ? 350 ALA H HB1 1 ATOM 1022 H HB2 . ALA B 2 30 ? -16.497 -6.628 20.086 1.00 9.47 ? 350 ALA H HB2 1 ATOM 1023 H HB3 . ALA B 2 30 ? -15.666 -5.306 19.896 1.00 9.47 ? 350 ALA H HB3 1 ATOM 1024 N N . SER B 2 31 ? -16.134 -4.686 16.697 1.00 6.54 ? 351 SER H N 1 ATOM 1025 C CA . SER B 2 31 ? -15.811 -3.659 15.726 1.00 7.66 ? 351 SER H CA 1 ATOM 1026 C C . SER B 2 31 ? -16.690 -2.429 15.941 1.00 7.27 ? 351 SER H C 1 ATOM 1027 O O . SER B 2 31 ? -17.815 -2.532 16.381 1.00 8.28 ? 351 SER H O 1 ATOM 1028 C CB . SER B 2 31 ? -15.958 -4.190 14.319 1.00 7.46 ? 351 SER H CB 1 ATOM 1029 O OG . SER B 2 31 ? -17.297 -4.527 14.140 1.00 8.47 ? 351 SER H OG 1 ATOM 1030 H H . SER B 2 31 ? -16.972 -4.748 16.880 1.00 7.84 ? 351 SER H H 1 ATOM 1031 H HA . SER B 2 31 ? -14.878 -3.387 15.850 1.00 9.17 ? 351 SER H HA 1 ATOM 1032 H HB2 . SER B 2 31 ? -15.706 -3.503 13.682 1.00 8.94 ? 351 SER H HB2 1 ATOM 1033 H HB3 . SER B 2 31 ? -15.405 -4.979 14.208 1.00 8.94 ? 351 SER H HB3 1 ATOM 1034 H HG . SER B 2 31 ? -17.414 -4.820 13.383 1.00 10.15 ? 351 SER H HG 1 ATOM 1035 N N . LEU B 2 32 ? -16.120 -1.286 15.603 1.00 7.10 ? 352 LEU H N 1 ATOM 1036 C CA . LEU B 2 32 ? -16.803 -0.013 15.715 1.00 7.81 ? 352 LEU H CA 1 ATOM 1037 C C . LEU B 2 32 ? -17.504 0.281 14.390 1.00 7.28 ? 352 LEU H C 1 ATOM 1038 O O . LEU B 2 32 ? -16.832 0.386 13.370 1.00 8.14 ? 352 LEU H O 1 ATOM 1039 C CB . LEU B 2 32 ? -15.780 1.070 16.022 1.00 8.72 ? 352 LEU H CB 1 ATOM 1040 C CG . LEU B 2 32 ? -16.377 2.422 16.367 1.00 9.77 ? 352 LEU H CG 1 ATOM 1041 C CD1 . LEU B 2 32 ? -17.095 2.394 17.689 1.00 11.08 ? 352 LEU H CD1 1 ATOM 1042 C CD2 . LEU B 2 32 ? -15.282 3.480 16.368 1.00 11.79 ? 352 LEU H CD2 1 ATOM 1043 H H . LEU B 2 32 ? -15.318 -1.221 15.300 1.00 8.50 ? 352 LEU H H 1 ATOM 1044 H HA . LEU B 2 32 ? -17.468 -0.045 16.434 1.00 9.36 ? 352 LEU H HA 1 ATOM 1045 H HB2 . LEU B 2 32 ? -15.243 0.784 16.778 1.00 10.45 ? 352 LEU H HB2 1 ATOM 1046 H HB3 . LEU B 2 32 ? -15.212 1.189 15.245 1.00 10.45 ? 352 LEU H HB3 1 ATOM 1047 H HG . LEU B 2 32 ? -17.022 2.662 15.684 1.00 11.71 ? 352 LEU H HG 1 ATOM 1048 H HD11 . LEU B 2 32 ? -17.455 3.267 17.866 1.00 13.29 ? 352 LEU H HD11 1 ATOM 1049 H HD12 . LEU B 2 32 ? -17.805 1.749 17.645 1.00 13.29 ? 352 LEU H HD12 1 ATOM 1050 H HD13 . LEU B 2 32 ? -16.472 2.151 18.378 1.00 13.29 ? 352 LEU H HD13 1 ATOM 1051 H HD21 . LEU B 2 32 ? -15.670 4.330 16.587 1.00 14.14 ? 352 LEU H HD21 1 ATOM 1052 H HD22 . LEU B 2 32 ? -14.620 3.243 17.021 1.00 14.14 ? 352 LEU H HD22 1 ATOM 1053 H HD23 . LEU B 2 32 ? -14.883 3.516 15.495 1.00 14.14 ? 352 LEU H HD23 1 ATOM 1054 N N . ILE B 2 33 ? -18.831 0.383 14.400 1.00 7.74 ? 353 ILE H N 1 ATOM 1055 C CA . ILE B 2 33 ? -19.601 0.634 13.168 1.00 9.15 ? 353 ILE H CA 1 ATOM 1056 C C . ILE B 2 33 ? -20.186 2.027 13.105 1.00 9.83 ? 353 ILE H C 1 ATOM 1057 O O . ILE B 2 33 ? -20.694 2.440 12.071 1.00 11.69 ? 353 ILE H O 1 ATOM 1058 C CB . ILE B 2 33 ? -20.667 -0.466 12.909 1.00 9.34 ? 353 ILE H CB 1 ATOM 1059 C CG1 . ILE B 2 33 ? -21.763 -0.475 13.973 1.00 9.90 ? 353 ILE H CG1 1 ATOM 1060 C CG2 . ILE B 2 33 ? -19.964 -1.806 12.761 1.00 10.20 ? 353 ILE H CG2 1 ATOM 1061 C CD1 . ILE B 2 33 ? -22.941 -1.401 13.592 1.00 11.02 ? 353 ILE H CD1 1 ATOM 1062 H H . ILE B 2 33 ? -19.317 0.311 15.106 1.00 9.28 ? 353 ILE H H 1 ATOM 1063 H HA . ILE B 2 33 ? -18.969 0.575 12.421 1.00 10.97 ? 353 ILE H HA 1 ATOM 1064 H HB . ILE B 2 33 ? -21.091 -0.266 12.060 1.00 11.20 ? 353 ILE H HB 1 ATOM 1065 H HG12 . ILE B 2 33 ? -21.389 -0.791 14.811 1.00 11.87 ? 353 ILE H HG12 1 ATOM 1066 H HG13 . ILE B 2 33 ? -22.108 0.425 14.081 1.00 11.87 ? 353 ILE H HG13 1 ATOM 1067 H HG21 . ILE B 2 33 ? -20.622 -2.487 12.602 1.00 12.22 ? 353 ILE H HG21 1 ATOM 1068 H HG22 . ILE B 2 33 ? -19.355 -1.758 12.021 1.00 12.22 ? 353 ILE H HG22 1 ATOM 1069 H HG23 . ILE B 2 33 ? -19.484 -1.997 13.570 1.00 12.22 ? 353 ILE H HG23 1 ATOM 1070 H HD11 . ILE B 2 33 ? -23.600 -1.372 14.289 1.00 13.21 ? 353 ILE H HD11 1 ATOM 1071 H HD12 . ILE B 2 33 ? -23.324 -1.095 12.766 1.00 13.21 ? 353 ILE H HD12 1 ATOM 1072 H HD13 . ILE B 2 33 ? -22.613 -2.298 13.488 1.00 13.21 ? 353 ILE H HD13 1 ATOM 1073 N N . SER B 2 34 ? -20.138 2.750 14.223 1.00 11.00 ? 354 SER H N 1 ATOM 1074 C CA . SER B 2 34 ? -20.491 4.168 14.261 1.00 11.64 ? 354 SER H CA 1 ATOM 1075 C C . SER B 2 34 ? -19.959 4.711 15.571 1.00 13.67 ? 354 SER H C 1 ATOM 1076 O O . SER B 2 34 ? -19.279 3.990 16.307 1.00 15.52 ? 354 SER H O 1 ATOM 1077 C CB . SER B 2 34 ? -21.991 4.362 14.183 1.00 13.77 ? 354 SER H CB 1 ATOM 1078 O OG . SER B 2 34 ? -22.557 4.027 15.427 1.00 15.65 ? 354 SER H OG 1 ATOM 1079 H H . SER B 2 34 ? -19.899 2.436 14.987 1.00 13.18 ? 354 SER H H 1 ATOM 1080 H HA . SER B 2 34 ? -20.065 4.643 13.517 1.00 13.95 ? 354 SER H HA 1 ATOM 1081 H HB2 . SER B 2 34 ? -22.185 5.291 13.981 1.00 16.51 ? 354 SER H HB2 1 ATOM 1082 H HB3 . SER B 2 34 ? -22.356 3.783 13.496 1.00 16.51 ? 354 SER H HB3 1 ATOM 1083 H HG . SER B 2 34 ? -23.371 4.127 15.401 1.00 18.76 ? 354 SER H HG 1 ATOM 1084 N N . ASP B 2 35 ? -20.239 5.963 15.880 1.00 13.97 ? 355 ASP H N 1 ATOM 1085 C CA . ASP B 2 35 ? -19.697 6.516 17.104 1.00 14.58 ? 355 ASP H CA 1 ATOM 1086 C C . ASP B 2 35 ? -20.358 5.977 18.365 1.00 13.74 ? 355 ASP H C 1 ATOM 1087 O O . ASP B 2 35 ? -19.839 6.205 19.446 1.00 15.43 ? 355 ASP H O 1 ATOM 1088 C CB . ASP B 2 35 ? -19.677 8.047 17.070 1.00 17.43 ? 355 ASP H CB 1 ATOM 1089 C CG . ASP B 2 35 ? -21.048 8.667 17.018 1.00 19.59 ? 355 ASP H CG 1 ATOM 1090 O OD1 . ASP B 2 35 ? -21.106 9.898 17.176 1.00 22.64 ? 355 ASP H OD1 1 ATOM 1091 O OD2 . ASP B 2 35 ? -22.056 7.966 16.809 1.00 21.40 ? 355 ASP H OD2 1 ATOM 1092 H H . ASP B 2 35 ? -20.726 6.499 15.416 1.00 16.75 ? 355 ASP H H 1 ATOM 1093 H HA . ASP B 2 35 ? -18.759 6.236 17.152 1.00 17.48 ? 355 ASP H HA 1 ATOM 1094 H HB2 . ASP B 2 35 ? -19.234 8.373 17.870 1.00 20.91 ? 355 ASP H HB2 1 ATOM 1095 H HB3 . ASP B 2 35 ? -19.190 8.337 16.283 1.00 20.91 ? 355 ASP H HB3 1 ATOM 1096 N N . ARG B 2 36 ? -21.467 5.239 18.263 1.00 12.55 ? 356 ARG H N 1 ATOM 1097 C CA . ARG B 2 36 ? -22.002 4.649 19.491 1.00 13.61 ? 356 ARG H CA 1 ATOM 1098 C C . ARG B 2 36 ? -22.444 3.206 19.391 1.00 11.16 ? 356 ARG H C 1 ATOM 1099 O O . ARG B 2 36 ? -23.026 2.695 20.325 1.00 12.62 ? 356 ARG H O 1 ATOM 1100 C CB . ARG B 2 36 ? -23.032 5.502 20.192 1.00 22.40 ? 356 ARG H CB 1 ATOM 1101 C CG . ARG B 2 36 ? -24.339 5.541 19.597 1.00 24.01 ? 356 ARG H CG 1 ATOM 1102 C CD . ARG B 2 36 ? -25.247 6.397 20.492 1.00 27.62 ? 356 ARG H CD 1 ATOM 1103 N NE . ARG B 2 36 ? -26.590 6.540 19.970 1.00 31.42 ? 356 ARG H NE 1 ATOM 1104 C CZ . ARG B 2 36 ? -27.648 6.940 20.687 1.00 32.13 ? 356 ARG H CZ 1 ATOM 1105 N NH1 . ARG B 2 36 ? -27.547 7.223 21.982 1.00 31.29 ? 356 ARG H NH1 1 ATOM 1106 N NH2 . ARG B 2 36 ? -28.818 7.037 20.097 1.00 35.21 ? 356 ARG H NH2 1 ATOM 1107 H H . ARG B 2 36 ? -21.904 5.073 17.542 1.00 15.05 ? 356 ARG H H 1 ATOM 1108 H HA . ARG B 2 36 ? -21.245 4.626 20.113 1.00 16.31 ? 356 ARG H HA 1 ATOM 1109 H HB2 . ARG B 2 36 ? -23.137 5.168 21.097 1.00 26.87 ? 356 ARG H HB2 1 ATOM 1110 H HB3 . ARG B 2 36 ? -22.702 6.413 20.222 1.00 26.87 ? 356 ARG H HB3 1 ATOM 1111 H HG2 . ARG B 2 36 ? -24.290 5.948 18.718 1.00 28.80 ? 356 ARG H HG2 1 ATOM 1112 H HG3 . ARG B 2 36 ? -24.705 4.644 19.544 1.00 28.80 ? 356 ARG H HG3 1 ATOM 1113 H HD2 . ARG B 2 36 ? -25.310 5.981 21.366 1.00 33.13 ? 356 ARG H HD2 1 ATOM 1114 H HD3 . ARG B 2 36 ? -24.862 7.283 20.574 1.00 33.13 ? 356 ARG H HD3 1 ATOM 1115 H HE . ARG B 2 36 ? -26.717 6.356 19.140 1.00 37.69 ? 356 ARG H HE 1 ATOM 1116 H HH11 . ARG B 2 36 ? -26.785 7.163 22.377 1.00 37.54 ? 356 ARG H HH11 1 ATOM 1117 H HH12 . ARG B 2 36 ? -28.241 7.475 22.423 1.00 37.54 ? 356 ARG H HH12 1 ATOM 1118 H HH21 . ARG B 2 36 ? -28.895 6.852 19.261 1.00 42.24 ? 356 ARG H HH21 1 ATOM 1119 H HH22 . ARG B 2 36 ? -29.507 7.287 20.547 1.00 42.24 ? 356 ARG H HH22 1 ATOM 1120 N N . TRP B 2 37 ? -22.163 2.544 18.276 1.00 10.20 ? 357 TRP H N 1 ATOM 1121 C CA . TRP B 2 37 ? -22.544 1.142 18.105 1.00 10.00 ? 357 TRP H CA 1 ATOM 1122 C C . TRP B 2 37 ? -21.337 0.289 17.791 1.00 9.04 ? 357 TRP H C 1 ATOM 1123 O O . TRP B 2 37 ? -20.497 0.634 16.954 1.00 9.04 ? 357 TRP H O 1 ATOM 1124 C CB . TRP B 2 37 ? -23.565 1.027 16.993 1.00 10.17 ? 357 TRP H CB 1 ATOM 1125 C CG . TRP B 2 37 ? -24.933 1.545 17.365 1.00 10.42 ? 357 TRP H CG 1 ATOM 1126 C CD1 . TRP B 2 37 ? -25.418 2.785 17.125 1.00 13.23 ? 357 TRP H CD1 1 ATOM 1127 C CD2 . TRP B 2 37 ? -25.970 0.827 18.026 1.00 10.51 ? 357 TRP H CD2 1 ATOM 1128 N NE1 . TRP B 2 37 ? -26.720 2.892 17.586 1.00 13.26 ? 357 TRP H NE1 1 ATOM 1129 C CE2 . TRP B 2 37 ? -27.080 1.696 18.137 1.00 11.97 ? 357 TRP H CE2 1 ATOM 1130 C CE3 . TRP B 2 37 ? -26.078 -0.463 18.539 1.00 11.12 ? 357 TRP H CE3 1 ATOM 1131 C CZ2 . TRP B 2 37 ? -28.270 1.302 18.721 1.00 12.56 ? 357 TRP H CZ2 1 ATOM 1132 C CZ3 . TRP B 2 37 ? -27.250 -0.859 19.106 1.00 12.76 ? 357 TRP H CZ3 1 ATOM 1133 C CH2 . TRP B 2 37 ? -28.351 0.024 19.195 1.00 12.87 ? 357 TRP H CH2 1 ATOM 1134 H H . TRP B 2 37 ? -21.752 2.882 17.600 1.00 12.23 ? 357 TRP H H 1 ATOM 1135 H HA . TRP B 2 37 ? -22.950 0.811 18.934 1.00 11.99 ? 357 TRP H HA 1 ATOM 1136 H HB2 . TRP B 2 37 ? -23.253 1.537 16.229 1.00 12.19 ? 357 TRP H HB2 1 ATOM 1137 H HB3 . TRP B 2 37 ? -23.658 0.093 16.749 1.00 12.19 ? 357 TRP H HB3 1 ATOM 1138 H HD1 . TRP B 2 37 ? -24.949 3.464 16.696 1.00 15.87 ? 357 TRP H HD1 1 ATOM 1139 H HE1 . TRP B 2 37 ? -27.220 3.590 17.524 1.00 15.90 ? 357 TRP H HE1 1 ATOM 1140 H HE3 . TRP B 2 37 ? -25.371 -1.062 18.455 1.00 13.33 ? 357 TRP H HE3 1 ATOM 1141 H HZ2 . TRP B 2 37 ? -28.986 1.890 18.799 1.00 15.05 ? 357 TRP H HZ2 1 ATOM 1142 H HZ3 . TRP B 2 37 ? -27.329 -1.724 19.438 1.00 15.30 ? 357 TRP H HZ3 1 ATOM 1143 H HH2 . TRP B 2 37 ? -29.132 -0.260 19.611 1.00 15.43 ? 357 TRP H HH2 1 ATOM 1144 N N . VAL B 2 38 ? -21.294 -0.852 18.468 1.00 8.86 ? 358 VAL H N 1 ATOM 1145 C CA . VAL B 2 38 ? -20.236 -1.837 18.324 1.00 8.46 ? 358 VAL H CA 1 ATOM 1146 C C . VAL B 2 38 ? -20.871 -3.178 17.972 1.00 7.90 ? 358 VAL H C 1 ATOM 1147 O O . VAL B 2 38 ? -21.869 -3.579 18.558 1.00 9.14 ? 358 VAL H O 1 ATOM 1148 C CB . VAL B 2 38 ? -19.439 -1.938 19.652 1.00 9.23 ? 358 VAL H CB 1 ATOM 1149 C CG1 . VAL B 2 38 ? -18.452 -3.086 19.659 1.00 9.95 ? 358 VAL H CG1 1 ATOM 1150 C CG2 . VAL B 2 38 ? -18.696 -0.648 19.895 1.00 10.93 ? 358 VAL H CG2 1 ATOM 1151 H H . VAL B 2 38 ? -21.894 -1.085 19.040 1.00 10.62 ? 358 VAL H H 1 ATOM 1152 H HA . VAL B 2 38 ? -19.626 -1.573 17.604 1.00 10.13 ? 358 VAL H HA 1 ATOM 1153 H HB . VAL B 2 38 ? -20.067 -2.072 20.392 1.00 11.06 ? 358 VAL H HB 1 ATOM 1154 H HG11 . VAL B 2 38 ? -17.992 -3.096 20.502 1.00 11.92 ? 358 VAL H HG11 1 ATOM 1155 H HG12 . VAL B 2 38 ? -18.930 -3.909 19.536 1.00 11.92 ? 358 VAL H HG12 1 ATOM 1156 H HG13 . VAL B 2 38 ? -17.824 -2.962 18.944 1.00 11.92 ? 358 VAL H HG13 1 ATOM 1157 H HG21 . VAL B 2 38 ? -18.207 -0.720 20.718 1.00 13.10 ? 358 VAL H HG21 1 ATOM 1158 H HG22 . VAL B 2 38 ? -18.090 -0.494 19.166 1.00 13.10 ? 358 VAL H HG22 1 ATOM 1159 H HG23 . VAL B 2 38 ? -19.329 0.071 19.953 1.00 13.10 ? 358 VAL H HG23 1 ATOM 1160 N N . LEU B 2 39 ? -20.247 -3.872 17.040 1.00 7.13 ? 359 LEU H N 1 ATOM 1161 C CA . LEU B 2 39 ? -20.713 -5.146 16.529 1.00 7.72 ? 359 LEU H CA 1 ATOM 1162 C C . LEU B 2 39 ? -19.831 -6.266 17.069 1.00 7.28 ? 359 LEU H C 1 ATOM 1163 O O . LEU B 2 39 ? -18.598 -6.131 17.085 1.00 7.58 ? 359 LEU H O 1 ATOM 1164 C CB . LEU B 2 39 ? -20.632 -5.085 15.017 1.00 9.34 ? 359 LEU H CB 1 ATOM 1165 C CG . LEU B 2 39 ? -21.152 -6.268 14.213 1.00 10.68 ? 359 LEU H CG 1 ATOM 1166 C CD1 . LEU B 2 39 ? -22.656 -6.458 14.451 1.00 11.34 ? 359 LEU H CD1 1 ATOM 1167 C CD2 . LEU B 2 39 ? -20.935 -6.017 12.734 1.00 10.36 ? 359 LEU H CD2 1 ATOM 1168 H H . LEU B 2 39 ? -19.515 -3.611 16.670 1.00 8.54 ? 359 LEU H H 1 ATOM 1169 H HA . LEU B 2 39 ? -21.641 -5.303 16.799 1.00 9.25 ? 359 LEU H HA 1 ATOM 1170 H HB2 . LEU B 2 39 ? -21.131 -4.306 14.725 1.00 11.19 ? 359 LEU H HB2 1 ATOM 1171 H HB3 . LEU B 2 39 ? -19.699 -4.970 14.775 1.00 11.19 ? 359 LEU H HB3 1 ATOM 1172 H HG . LEU B 2 39 ? -20.685 -7.078 14.470 1.00 12.80 ? 359 LEU H HG 1 ATOM 1173 H HD11 . LEU B 2 39 ? -22.961 -7.208 13.935 1.00 13.59 ? 359 LEU H HD11 1 ATOM 1174 H HD12 . LEU B 2 39 ? -22.806 -6.620 15.385 1.00 13.59 ? 359 LEU H HD12 1 ATOM 1175 H HD13 . LEU B 2 39 ? -23.118 -5.662 14.178 1.00 13.59 ? 359 LEU H HD13 1 ATOM 1176 H HD21 . LEU B 2 39 ? -21.267 -6.769 12.238 1.00 12.41 ? 359 LEU H HD21 1 ATOM 1177 H HD22 . LEU B 2 39 ? -21.409 -5.222 12.480 1.00 12.41 ? 359 LEU H HD22 1 ATOM 1178 H HD23 . LEU B 2 39 ? -19.996 -5.906 12.571 1.00 12.41 ? 359 LEU H HD23 1 ATOM 1179 N N . THR B 2 40 ? -20.413 -7.396 17.471 1.00 7.67 ? 360 THR H N 1 ATOM 1180 C CA . THR B 2 40 ? -19.641 -8.534 17.927 1.00 7.93 ? 360 THR H CA 1 ATOM 1181 C C . THR B 2 40 ? -20.415 -9.813 17.635 1.00 6.83 ? 360 THR H C 1 ATOM 1182 O O . THR B 2 40 ? -21.462 -9.791 16.994 1.00 7.33 ? 360 THR H O 1 ATOM 1183 C CB . THR B 2 40 ? -19.227 -8.377 19.420 1.00 8.46 ? 360 THR H CB 1 ATOM 1184 O OG1 . THR B 2 40 ? -18.243 -9.351 19.799 1.00 8.22 ? 360 THR H OG1 1 ATOM 1185 C CG2 . THR B 2 40 ? -20.391 -8.519 20.329 1.00 9.46 ? 360 THR H CG2 1 ATOM 1186 H H . THR B 2 40 ? -21.264 -7.523 17.488 1.00 9.19 ? 360 THR H H 1 ATOM 1187 H HA . THR B 2 40 ? -18.814 -8.571 17.402 1.00 9.50 ? 360 THR H HA 1 ATOM 1188 H HB . THR B 2 40 ? -18.855 -7.490 19.550 1.00 10.13 ? 360 THR H HB 1 ATOM 1189 H HG1 . THR B 2 40 ? -17.571 -9.266 19.337 1.00 9.85 ? 360 THR H HG1 1 ATOM 1190 H HG21 . THR B 2 40 ? -20.109 -8.418 21.241 1.00 11.34 ? 360 THR H HG21 1 ATOM 1191 H HG22 . THR B 2 40 ? -21.047 -7.847 20.130 1.00 11.34 ? 360 THR H HG22 1 ATOM 1192 H HG23 . THR B 2 40 ? -20.789 -9.385 20.220 1.00 11.34 ? 360 THR H HG23 1 ATOM 1193 N N . ALA B 2 41 ? -19.871 -10.940 18.100 1.00 7.17 ? 361 ALA H N 1 ATOM 1194 C CA . ALA B 2 41 ? -20.550 -12.226 18.005 1.00 7.01 ? 361 ALA H CA 1 ATOM 1195 C C . ALA B 2 41 ? -21.475 -12.430 19.208 1.00 8.42 ? 361 ALA H C 1 ATOM 1196 O O . ALA B 2 41 ? -21.101 -12.084 20.339 1.00 9.33 ? 361 ALA H O 1 ATOM 1197 C CB . ALA B 2 41 ? -19.552 -13.362 17.961 1.00 7.49 ? 361 ALA H CB 1 ATOM 1198 H H . ALA B 2 41 ? -19.100 -10.982 18.479 1.00 8.59 ? 361 ALA H H 1 ATOM 1199 H HA . ALA B 2 41 ? -21.090 -12.252 17.188 1.00 8.40 ? 361 ALA H HA 1 ATOM 1200 H HB1 . ALA B 2 41 ? -20.028 -14.194 17.899 1.00 8.98 ? 361 ALA H HB1 1 ATOM 1201 H HB2 . ALA B 2 41 ? -18.985 -13.251 17.194 1.00 8.98 ? 361 ALA H HB2 1 ATOM 1202 H HB3 . ALA B 2 41 ? -19.024 -13.346 18.763 1.00 8.98 ? 361 ALA H HB3 1 ATOM 1203 N N . ALA B 2 42 ? -22.668 -12.952 18.983 1.00 7.68 ? 362 ALA H N 1 ATOM 1204 C CA . ALA B 2 42 ? -23.555 -13.274 20.092 1.00 8.82 ? 362 ALA H CA 1 ATOM 1205 C C . ALA B 2 42 ? -22.897 -14.216 21.104 1.00 8.50 ? 362 ALA H C 1 ATOM 1206 O O . ALA B 2 42 ? -23.137 -14.079 22.287 1.00 9.36 ? 362 ALA H O 1 ATOM 1207 C CB . ALA B 2 42 ? -24.824 -13.896 19.558 1.00 10.16 ? 362 ALA H CB 1 ATOM 1208 H H . ALA B 2 42 ? -22.988 -13.129 18.205 1.00 9.20 ? 362 ALA H H 1 ATOM 1209 H HA . ALA B 2 42 ? -23.795 -12.447 20.560 1.00 10.57 ? 362 ALA H HA 1 ATOM 1210 H HB1 . ALA B 2 42 ? -25.403 -14.105 20.294 1.00 12.17 ? 362 ALA H HB1 1 ATOM 1211 H HB2 . ALA B 2 42 ? -25.254 -13.271 18.970 1.00 12.17 ? 362 ALA H HB2 1 ATOM 1212 H HB3 . ALA B 2 42 ? -24.600 -14.697 19.078 1.00 12.17 ? 362 ALA H HB3 1 ATOM 1213 N N . HIS B 2 43 ? -22.094 -15.177 20.630 1.00 8.59 ? 363 HIS H N 1 ATOM 1214 C CA . HIS B 2 43 ? -21.549 -16.183 21.539 1.00 8.69 ? 363 HIS H CA 1 ATOM 1215 C C . HIS B 2 43 ? -20.522 -15.599 22.482 1.00 9.46 ? 363 HIS H C 1 ATOM 1216 O O . HIS B 2 43 ? -20.192 -16.232 23.475 1.00 10.98 ? 363 HIS H O 1 ATOM 1217 C CB . HIS B 2 43 ? -21.001 -17.403 20.778 1.00 9.33 ? 363 HIS H CB 1 ATOM 1218 C CG . HIS B 2 43 ? -19.580 -17.249 20.306 1.00 8.75 ? 363 HIS H CG 1 ATOM 1219 N ND1 . HIS B 2 43 ? -19.246 -16.796 19.053 1.00 7.89 ? 363 HIS H ND1 1 ATOM 1220 C CD2 . HIS B 2 43 ? -18.407 -17.462 20.956 1.00 9.42 ? 363 HIS H CD2 1 ATOM 1221 C CE1 . HIS B 2 43 ? -17.925 -16.760 18.948 1.00 8.28 ? 363 HIS H CE1 1 ATOM 1222 N NE2 . HIS B 2 43 ? -17.392 -17.132 20.095 1.00 9.64 ? 363 HIS H NE2 1 ATOM 1223 H H . HIS B 2 43 ? -21.857 -15.265 19.808 1.00 10.29 ? 363 HIS H H 1 ATOM 1224 H HA . HIS B 2 43 ? -22.287 -16.508 22.096 1.00 10.41 ? 363 HIS H HA 1 ATOM 1225 H HB2 . HIS B 2 43 ? -21.036 -18.176 21.364 1.00 11.18 ? 363 HIS H HB2 1 ATOM 1226 H HB3 . HIS B 2 43 ? -21.557 -17.558 19.998 1.00 11.18 ? 363 HIS H HB3 1 ATOM 1227 H HD1 . HIS B 2 43 ? -19.803 -16.588 18.432 1.00 9.45 ? 363 HIS H HD1 1 ATOM 1228 H HD2 . HIS B 2 43 ? -18.311 -17.759 21.832 1.00 11.28 ? 363 HIS H HD2 1 ATOM 1229 H HE1 . HIS B 2 43 ? -17.450 -16.487 18.196 1.00 9.92 ? 363 HIS H HE1 1 ATOM 1230 H HE2 . HIS B 2 43 ? -16.550 -17.196 20.261 1.00 11.55 ? 363 HIS H HE2 1 ATOM 1231 N N . CYS B 2 44 ? -20.035 -14.393 22.186 1.00 9.13 ? 364 CYS H N 1 ATOM 1232 C CA . CYS B 2 44 ? -19.169 -13.686 23.120 1.00 9.87 ? 364 CYS H CA 1 ATOM 1233 C C . CYS B 2 44 ? -19.917 -13.209 24.342 1.00 10.97 ? 364 CYS H C 1 ATOM 1234 O O . CYS B 2 44 ? -19.294 -12.980 25.391 1.00 13.45 ? 364 CYS H O 1 ATOM 1235 C CB . CYS B 2 44 ? -18.559 -12.471 22.426 1.00 10.05 ? 364 CYS H CB 1 ATOM 1236 S SG . CYS B 2 44 ? -17.283 -12.875 21.231 1.00 11.15 ? 364 CYS H SG 1 ATOM 1237 H H . CYS B 2 44 ? -20.190 -13.968 21.455 1.00 10.95 ? 364 CYS H H 1 ATOM 1238 H HA . CYS B 2 44 ? -18.444 -14.278 23.409 1.00 11.83 ? 364 CYS H HA 1 ATOM 1239 H HB2 . CYS B 2 44 ? -19.262 -11.994 21.958 1.00 12.05 ? 364 CYS H HB2 1 ATOM 1240 H HB3 . CYS B 2 44 ? -18.162 -11.895 23.098 1.00 12.05 ? 364 CYS H HB3 1 ATOM 1241 N N . LEU B 2 45 ? -21.242 -13.076 24.213 1.00 10.68 ? 365 LEU H N 1 ATOM 1242 C CA . LEU B 2 45 ? -22.074 -12.519 25.287 1.00 11.72 ? 365 LEU H CA 1 ATOM 1243 C C . LEU B 2 45 ? -22.990 -13.573 25.897 1.00 12.88 ? 365 LEU H C 1 ATOM 1244 O O . LEU B 2 45 ? -23.322 -13.486 27.083 1.00 17.01 ? 365 LEU H O 1 ATOM 1245 C CB . LEU B 2 45 ? -22.921 -11.387 24.723 1.00 12.58 ? 365 LEU H CB 1 ATOM 1246 C CG . LEU B 2 45 ? -22.069 -10.255 24.156 1.00 13.50 ? 365 LEU H CG 1 ATOM 1247 C CD1 . LEU B 2 45 ? -22.911 -9.272 23.429 1.00 16.67 ? 365 LEU H CD1 1 ATOM 1248 C CD2 . LEU B 2 45 ? -21.359 -9.552 25.288 1.00 16.37 ? 365 LEU H CD2 1 ATOM 1249 H H . LEU B 2 45 ? -21.684 -13.302 23.511 1.00 12.81 ? 365 LEU H H 1 ATOM 1250 H HA . LEU B 2 45 ? -21.499 -12.158 25.994 1.00 14.05 ? 365 LEU H HA 1 ATOM 1251 H HB2 . LEU B 2 45 ? -23.478 -11.732 24.007 1.00 15.08 ? 365 LEU H HB2 1 ATOM 1252 H HB3 . LEU B 2 45 ? -23.476 -11.022 25.430 1.00 15.08 ? 365 LEU H HB3 1 ATOM 1253 H HG . LEU B 2 45 ? -21.407 -10.614 23.545 1.00 16.18 ? 365 LEU H HG 1 ATOM 1254 H HD11 . LEU B 2 45 ? -22.350 -8.574 23.085 1.00 19.99 ? 365 LEU H HD11 1 ATOM 1255 H HD12 . LEU B 2 45 ? -23.359 -9.719 22.707 1.00 19.99 ? 365 LEU H HD12 1 ATOM 1256 H HD13 . LEU B 2 45 ? -23.557 -8.904 24.038 1.00 19.99 ? 365 LEU H HD13 1 ATOM 1257 H HD21 . LEU B 2 45 ? -20.824 -8.841 24.927 1.00 19.63 ? 365 LEU H HD21 1 ATOM 1258 H HD22 . LEU B 2 45 ? -22.013 -9.195 25.893 1.00 19.63 ? 365 LEU H HD22 1 ATOM 1259 H HD23 . LEU B 2 45 ? -20.799 -10.184 25.745 1.00 19.63 ? 365 LEU H HD23 1 ATOM 1260 N N . LEU B 2 46 ? -23.428 -14.543 25.103 1.00 11.93 ? 366 LEU H N 1 ATOM 1261 C CA . LEU B 2 46 ? -24.456 -15.492 25.521 1.00 12.75 ? 366 LEU H CA 1 ATOM 1262 C C . LEU B 2 46 ? -24.118 -16.873 24.978 1.00 12.68 ? 366 LEU H C 1 ATOM 1263 O O . LEU B 2 46 ? -24.131 -17.088 23.770 1.00 12.12 ? 366 LEU H O 1 ATOM 1264 C CB . LEU B 2 46 ? -25.830 -15.060 24.996 1.00 13.91 ? 366 LEU H CB 1 ATOM 1265 C CG . LEU B 2 46 ? -26.977 -16.032 25.262 1.00 14.55 ? 366 LEU H CG 1 ATOM 1266 C CD1 . LEU B 2 46 ? -27.206 -16.246 26.761 1.00 17.21 ? 366 LEU H CD1 1 ATOM 1267 C CD2 . LEU B 2 46 ? -28.244 -15.538 24.581 1.00 16.39 ? 366 LEU H CD2 1 ATOM 1268 H H . LEU B 2 46 ? -23.141 -14.676 24.303 1.00 14.30 ? 366 LEU H H 1 ATOM 1269 H HA . LEU B 2 46 ? -24.491 -15.536 26.500 1.00 15.28 ? 366 LEU H HA 1 ATOM 1270 H HB2 . LEU B 2 46 ? -26.065 -14.215 25.411 1.00 16.68 ? 366 LEU H HB2 1 ATOM 1271 H HB3 . LEU B 2 46 ? -25.767 -14.942 24.036 1.00 16.68 ? 366 LEU H HB3 1 ATOM 1272 H HG . LEU B 2 46 ? -26.751 -16.892 24.873 1.00 17.44 ? 366 LEU H HG 1 ATOM 1273 H HD11 . LEU B 2 46 ? -27.933 -16.862 26.881 1.00 20.63 ? 366 LEU H HD11 1 ATOM 1274 H HD12 . LEU B 2 46 ? -26.406 -16.604 27.151 1.00 20.63 ? 366 LEU H HD12 1 ATOM 1275 H HD13 . LEU B 2 46 ? -27.420 -15.403 27.167 1.00 20.63 ? 366 LEU H HD13 1 ATOM 1276 H HD21 . LEU B 2 46 ? -28.955 -16.159 24.757 1.00 19.65 ? 366 LEU H HD21 1 ATOM 1277 H HD22 . LEU B 2 46 ? -28.470 -14.674 24.932 1.00 19.65 ? 366 LEU H HD22 1 ATOM 1278 H HD23 . LEU B 2 46 ? -28.088 -15.478 23.636 1.00 19.65 ? 366 LEU H HD23 1 ATOM 1279 N N . TYR B 2 47 ? -23.821 -17.810 25.867 1.00 14.63 ? 367 TYR H N 1 ATOM 1280 C CA . TYR B 2 47 ? -23.565 -19.183 25.469 1.00 14.31 ? 367 TYR H CA 1 ATOM 1281 C C . TYR B 2 47 ? -23.871 -20.061 26.676 1.00 17.26 ? 367 TYR H C 1 ATOM 1282 O O . TYR B 2 47 ? -22.992 -20.423 27.459 1.00 18.79 ? 367 TYR H O 1 ATOM 1283 C CB . TYR B 2 47 ? -22.152 -19.395 24.909 1.00 13.34 ? 367 TYR H CB 1 ATOM 1284 C CG . TYR B 2 47 ? -22.037 -20.739 24.228 1.00 13.79 ? 367 TYR H CG 1 ATOM 1285 C CD1 . TYR B 2 47 ? -22.796 -21.041 23.093 1.00 13.99 ? 367 TYR H CD1 1 ATOM 1286 C CD2 . TYR B 2 47 ? -21.230 -21.727 24.745 1.00 15.11 ? 367 TYR H CD2 1 ATOM 1287 C CE1 . TYR B 2 47 ? -22.749 -22.285 22.503 1.00 14.20 ? 367 TYR H CE1 1 ATOM 1288 C CE2 . TYR B 2 47 ? -21.167 -22.953 24.172 1.00 15.27 ? 367 TYR H CE2 1 ATOM 1289 C CZ . TYR B 2 47 ? -21.942 -23.251 23.064 1.00 15.12 ? 367 TYR H CZ 1 ATOM 1290 O OH . TYR B 2 47 ? -21.871 -24.520 22.498 1.00 16.31 ? 367 TYR H OH 1 ATOM 1291 H H . TYR B 2 47 ? -23.761 -17.673 26.714 1.00 17.55 ? 367 TYR H H 1 ATOM 1292 H HA . TYR B 2 47 ? -24.198 -19.424 24.762 1.00 17.16 ? 367 TYR H HA 1 ATOM 1293 H HB2 . TYR B 2 47 ? -21.957 -18.704 24.257 1.00 16.00 ? 367 TYR H HB2 1 ATOM 1294 H HB3 . TYR B 2 47 ? -21.510 -19.364 25.635 1.00 16.00 ? 367 TYR H HB3 1 ATOM 1295 H HD1 . TYR B 2 47 ? -23.362 -20.393 22.740 1.00 16.78 ? 367 TYR H HD1 1 ATOM 1296 H HD2 . TYR B 2 47 ? -20.728 -21.553 25.508 1.00 18.12 ? 367 TYR H HD2 1 ATOM 1297 H HE1 . TYR B 2 47 ? -23.265 -22.475 21.753 1.00 17.03 ? 367 TYR H HE1 1 ATOM 1298 H HE2 . TYR B 2 47 ? -20.623 -23.609 24.544 1.00 18.30 ? 367 TYR H HE2 1 ATOM 1299 H HH . TYR B 2 47 ? -21.599 -24.469 21.726 1.00 19.55 ? 367 TYR H HH 1 ATOM 1300 N N . PRO B 2 48 ? -25.153 -20.415 26.824 1.00 20.02 ? 368 PRO H N 1 ATOM 1301 C CA . PRO B 2 48 ? -25.568 -21.159 28.020 1.00 23.81 ? 368 PRO H CA 1 ATOM 1302 C C . PRO B 2 48 ? -24.810 -22.464 28.277 1.00 25.08 ? 368 PRO H C 1 ATOM 1303 O O . PRO B 2 48 ? -24.649 -22.828 29.438 1.00 27.76 ? 368 PRO H O 1 ATOM 1304 C CB . PRO B 2 48 ? -27.056 -21.407 27.764 1.00 25.89 ? 368 PRO H CB 1 ATOM 1305 C CG . PRO B 2 48 ? -27.494 -20.199 26.975 1.00 25.01 ? 368 PRO H CG 1 ATOM 1306 C CD . PRO B 2 48 ? -26.308 -19.932 26.046 1.00 22.03 ? 368 PRO H CD 1 ATOM 1307 H HA . PRO B 2 48 ? -25.478 -20.586 28.810 1.00 28.56 ? 368 PRO H HA 1 ATOM 1308 H HB2 . PRO B 2 48 ? -27.172 -22.219 27.247 1.00 31.05 ? 368 PRO H HB2 1 ATOM 1309 H HB3 . PRO B 2 48 ? -27.531 -21.461 28.608 1.00 31.05 ? 368 PRO H HB3 1 ATOM 1310 H HG2 . PRO B 2 48 ? -28.294 -20.407 26.467 1.00 30.00 ? 368 PRO H HG2 1 ATOM 1311 H HG3 . PRO B 2 48 ? -27.645 -19.449 27.572 1.00 30.00 ? 368 PRO H HG3 1 ATOM 1312 H HD2 . PRO B 2 48 ? -26.400 -20.441 25.225 1.00 26.43 ? 368 PRO H HD2 1 ATOM 1313 H HD3 . PRO B 2 48 ? -26.224 -18.982 25.869 1.00 26.43 ? 368 PRO H HD3 1 ATOM 1314 N N . PRO B 2 49 ? -24.366 -23.189 27.244 1.00 23.34 ? 369 PRO H N 1 ATOM 1315 C CA . PRO B 2 49 ? -23.670 -24.434 27.599 1.00 25.17 ? 369 PRO H CA 1 ATOM 1316 C C . PRO B 2 49 ? -22.374 -24.220 28.397 1.00 26.65 ? 369 PRO H C 1 ATOM 1317 O O . PRO B 2 49 ? -21.895 -25.159 29.052 1.00 29.12 ? 369 PRO H O 1 ATOM 1318 C CB . PRO B 2 49 ? -23.394 -25.086 26.240 1.00 24.08 ? 369 PRO H CB 1 ATOM 1319 C CG . PRO B 2 49 ? -24.458 -24.556 25.347 1.00 23.29 ? 369 PRO H CG 1 ATOM 1320 C CD . PRO B 2 49 ? -24.651 -23.118 25.803 1.00 22.04 ? 369 PRO H CD 1 ATOM 1321 H HA . PRO B 2 49 ? -24.268 -25.015 28.115 1.00 30.19 ? 369 PRO H HA 1 ATOM 1322 H HB2 . PRO B 2 49 ? -22.516 -24.824 25.922 1.00 28.88 ? 369 PRO H HB2 1 ATOM 1323 H HB3 . PRO B 2 49 ? -23.459 -26.050 26.319 1.00 28.88 ? 369 PRO H HB3 1 ATOM 1324 H HG2 . PRO B 2 49 ? -24.160 -24.589 24.424 1.00 27.93 ? 369 PRO H HG2 1 ATOM 1325 H HG3 . PRO B 2 49 ? -25.273 -25.068 25.466 1.00 27.93 ? 369 PRO H HG3 1 ATOM 1326 H HD2 . PRO B 2 49 ? -24.016 -22.533 25.360 1.00 26.43 ? 369 PRO H HD2 1 ATOM 1327 H HD3 . PRO B 2 49 ? -25.565 -22.833 25.651 1.00 26.43 ? 369 PRO H HD3 1 ATOM 1328 N N . TRP B 2 50 ? -21.814 -23.013 28.334 1.00 25.87 ? 370 TRP H N 1 ATOM 1329 C CA . TRP B 2 50 ? -20.652 -22.654 29.145 1.00 25.54 ? 370 TRP H CA 1 ATOM 1330 C C . TRP B 2 50 ? -21.036 -21.712 30.301 1.00 27.66 ? 370 TRP H C 1 ATOM 1331 O O . TRP B 2 50 ? -20.178 -21.050 30.878 1.00 29.84 ? 370 TRP H O 1 ATOM 1332 C CB . TRP B 2 50 ? -19.583 -21.988 28.276 1.00 22.64 ? 370 TRP H CB 1 ATOM 1333 C CG . TRP B 2 50 ? -18.981 -22.879 27.223 1.00 21.32 ? 370 TRP H CG 1 ATOM 1334 C CD1 . TRP B 2 50 ? -19.133 -24.230 27.094 1.00 21.65 ? 370 TRP H CD1 1 ATOM 1335 C CD2 . TRP B 2 50 ? -18.119 -22.472 26.160 1.00 20.13 ? 370 TRP H CD2 1 ATOM 1336 N NE1 . TRP B 2 50 ? -18.428 -24.685 26.015 1.00 21.04 ? 370 TRP H NE1 1 ATOM 1337 C CE2 . TRP B 2 50 ? -17.797 -23.625 25.420 1.00 20.85 ? 370 TRP H CE2 1 ATOM 1338 C CE3 . TRP B 2 50 ? -17.597 -21.238 25.749 1.00 20.34 ? 370 TRP H CE3 1 ATOM 1339 C CZ2 . TRP B 2 50 ? -16.971 -23.584 24.301 1.00 21.57 ? 370 TRP H CZ2 1 ATOM 1340 C CZ3 . TRP B 2 50 ? -16.788 -21.202 24.636 1.00 21.50 ? 370 TRP H CZ3 1 ATOM 1341 C CH2 . TRP B 2 50 ? -16.494 -22.364 23.914 1.00 22.04 ? 370 TRP H CH2 1 ATOM 1342 H H . TRP B 2 50 ? -22.091 -22.379 27.824 1.00 31.03 ? 370 TRP H H 1 ATOM 1343 H HA . TRP B 2 50 ? -20.267 -23.468 29.531 1.00 30.64 ? 370 TRP H HA 1 ATOM 1344 H HB2 . TRP B 2 50 ? -19.982 -21.228 27.824 1.00 27.16 ? 370 TRP H HB2 1 ATOM 1345 H HB3 . TRP B 2 50 ? -18.863 -21.684 28.850 1.00 27.16 ? 370 TRP H HB3 1 ATOM 1346 H HD1 . TRP B 2 50 ? -19.639 -24.764 27.662 1.00 25.96 ? 370 TRP H HD1 1 ATOM 1347 H HE1 . TRP B 2 50 ? -18.386 -25.503 25.754 1.00 25.23 ? 370 TRP H HE1 1 ATOM 1348 H HE3 . TRP B 2 50 ? -17.801 -20.459 26.213 1.00 24.39 ? 370 TRP H HE3 1 ATOM 1349 H HZ2 . TRP B 2 50 ? -16.771 -24.355 23.821 1.00 25.86 ? 370 TRP H HZ2 1 ATOM 1350 H HZ3 . TRP B 2 50 ? -16.436 -20.388 24.355 1.00 25.79 ? 370 TRP H HZ3 1 ATOM 1351 H HH2 . TRP B 2 50 ? -15.931 -22.309 23.176 1.00 26.43 ? 370 TRP H HH2 1 ATOM 1352 N N . ASP B 2 51 ? -22.325 -21.647 30.619 1.00 28.88 ? 371 ASP H N 1 ATOM 1353 C CA . ASP B 2 51 ? -22.817 -20.760 31.682 1.00 31.80 ? 371 ASP H CA 1 ATOM 1354 C C . ASP B 2 51 ? -22.433 -19.305 31.444 1.00 30.24 ? 371 ASP H C 1 ATOM 1355 O O . ASP B 2 51 ? -22.124 -18.565 32.389 1.00 31.64 ? 371 ASP H O 1 ATOM 1356 C CB . ASP B 2 51 ? -22.294 -21.207 33.062 1.00 37.39 ? 371 ASP H CB 1 ATOM 1357 C CG . ASP B 2 51 ? -22.695 -22.623 33.412 1.00 43.79 ? 371 ASP H CG 1 ATOM 1358 O OD1 . ASP B 2 51 ? -23.826 -23.031 33.060 1.00 45.21 ? 371 ASP H OD1 1 ATOM 1359 O OD2 . ASP B 2 51 ? -21.876 -23.329 34.045 1.00 47.86 ? 371 ASP H OD2 1 ATOM 1360 H H . ASP B 2 51 ? -22.942 -22.107 30.235 1.00 34.64 ? 371 ASP H H 1 ATOM 1361 H HA . ASP B 2 51 ? -23.795 -20.810 31.704 1.00 38.15 ? 371 ASP H HA 1 ATOM 1362 H HB2 . ASP B 2 51 ? -21.325 -21.161 33.063 1.00 44.86 ? 371 ASP H HB2 1 ATOM 1363 H HB3 . ASP B 2 51 ? -22.654 -20.617 33.743 1.00 44.86 ? 371 ASP H HB3 1 ATOM 1364 N N . LYS B 2 52 ? -22.465 -18.891 30.183 1.00 26.23 ? 372 LYS H N 1 ATOM 1365 C CA . LYS B 2 52 ? -22.111 -17.526 29.838 1.00 22.86 ? 372 LYS H CA 1 ATOM 1366 C C . LYS B 2 52 ? -23.345 -16.705 29.479 1.00 20.35 ? 372 LYS H C 1 ATOM 1367 O O . LYS B 2 52 ? -24.102 -17.079 28.591 1.00 17.65 ? 372 LYS H O 1 ATOM 1368 C CB . LYS B 2 52 ? -21.133 -17.530 28.677 1.00 22.42 ? 372 LYS H CB 1 ATOM 1369 C CG . LYS B 2 52 ? -20.783 -16.158 28.173 1.00 22.46 ? 372 LYS H CG 1 ATOM 1370 C CD . LYS B 2 52 ? -19.811 -16.284 27.020 1.00 23.94 ? 372 LYS H CD 1 ATOM 1371 C CE . LYS B 2 52 ? -18.585 -17.076 27.500 1.00 27.15 ? 372 LYS H CE 1 ATOM 1372 N NZ . LYS B 2 52 ? -17.490 -17.117 26.518 1.00 27.30 ? 372 LYS H NZ 1 ATOM 1373 H H . LYS B 2 52 ? -22.688 -19.380 29.512 1.00 31.46 ? 372 LYS H H 1 ATOM 1374 H HA . LYS B 2 52 ? -21.673 -17.102 30.606 1.00 27.42 ? 372 LYS H HA 1 ATOM 1375 H HB2 . LYS B 2 52 ? -20.312 -17.960 28.962 1.00 26.88 ? 372 LYS H HB2 1 ATOM 1376 H HB3 . LYS B 2 52 ? -21.525 -18.026 27.941 1.00 26.88 ? 372 LYS H HB3 1 ATOM 1377 H HG2 . LYS B 2 52 ? -21.584 -15.711 27.857 1.00 26.93 ? 372 LYS H HG2 1 ATOM 1378 H HG3 . LYS B 2 52 ? -20.361 -15.646 28.881 1.00 26.93 ? 372 LYS H HG3 1 ATOM 1379 H HD2 . LYS B 2 52 ? -20.228 -16.766 26.288 1.00 28.71 ? 372 LYS H HD2 1 ATOM 1380 H HD3 . LYS B 2 52 ? -19.522 -15.403 26.734 1.00 28.71 ? 372 LYS H HD3 1 ATOM 1381 H HE2 . LYS B 2 52 ? -18.243 -16.665 28.310 1.00 32.56 ? 372 LYS H HE2 1 ATOM 1382 H HE3 . LYS B 2 52 ? -18.854 -17.990 27.684 1.00 32.56 ? 372 LYS H HE3 1 ATOM 1383 H HZ1 . LYS B 2 52 ? -16.807 -17.585 26.844 1.00 32.75 ? 372 LYS H HZ1 1 ATOM 1384 H HZ2 . LYS B 2 52 ? -17.771 -17.499 25.766 1.00 32.75 ? 372 LYS H HZ2 1 ATOM 1385 H HZ3 . LYS B 2 52 ? -17.214 -16.290 26.337 1.00 32.75 ? 372 LYS H HZ3 1 ATOM 1386 N N . ASN B 2 53 ? -23.538 -15.585 30.177 1.00 18.73 ? 373 ASN H N 1 ATOM 1387 C CA . ASN B 2 53 ? -24.676 -14.722 29.923 1.00 20.14 ? 373 ASN H CA 1 ATOM 1388 C C . ASN B 2 53 ? -24.356 -13.384 30.532 1.00 20.26 ? 373 ASN H C 1 ATOM 1389 O O . ASN B 2 53 ? -24.790 -13.067 31.631 1.00 23.38 ? 373 ASN H O 1 ATOM 1390 C CB . ASN B 2 53 ? -25.937 -15.302 30.575 1.00 23.30 ? 373 ASN H CB 1 ATOM 1391 C CG . ASN B 2 53 ? -27.190 -14.550 30.188 1.00 27.76 ? 373 ASN H CG 1 ATOM 1392 O OD1 . ASN B 2 53 ? -27.129 -13.486 29.568 1.00 24.87 ? 373 ASN H OD1 1 ATOM 1393 N ND2 . ASN B 2 53 ? -28.344 -15.106 30.559 1.00 36.82 ? 373 ASN H ND2 1 ATOM 1394 H H . ASN B 2 53 ? -23.019 -15.308 30.804 1.00 22.46 ? 373 ASN H H 1 ATOM 1395 H HA . ASN B 2 53 ? -24.822 -14.617 28.960 1.00 24.15 ? 373 ASN H HA 1 ATOM 1396 H HB2 . ASN B 2 53 ? -26.042 -16.225 30.295 1.00 27.94 ? 373 ASN H HB2 1 ATOM 1397 H HB3 . ASN B 2 53 ? -25.845 -15.256 31.540 1.00 27.94 ? 373 ASN H HB3 1 ATOM 1398 N N . PHE B 2 54 ? -23.581 -12.589 29.822 1.00 19.02 ? 374 PHE H N 1 ATOM 1399 C CA . PHE B 2 54 ? -23.128 -11.334 30.370 1.00 20.48 ? 374 PHE H CA 1 ATOM 1400 C C . PHE B 2 54 ? -24.218 -10.274 30.346 1.00 22.82 ? 374 PHE H C 1 ATOM 1401 O O . PHE B 2 54 ? -25.084 -10.235 29.473 1.00 23.46 ? 374 PHE H O 1 ATOM 1402 C CB . PHE B 2 54 ? -21.914 -10.848 29.604 1.00 20.76 ? 374 PHE H CB 1 ATOM 1403 C CG . PHE B 2 54 ? -20.670 -11.639 29.872 1.00 21.60 ? 374 PHE H CG 1 ATOM 1404 C CD1 . PHE B 2 54 ? -20.072 -11.599 31.115 1.00 22.92 ? 374 PHE H CD1 1 ATOM 1405 C CD2 . PHE B 2 54 ? -20.069 -12.381 28.880 1.00 23.93 ? 374 PHE H CD2 1 ATOM 1406 C CE1 . PHE B 2 54 ? -18.922 -12.328 31.370 1.00 23.97 ? 374 PHE H CE1 1 ATOM 1407 C CE2 . PHE B 2 54 ? -18.913 -13.111 29.130 1.00 24.32 ? 374 PHE H CE2 1 ATOM 1408 C CZ . PHE B 2 54 ? -18.327 -13.070 30.362 1.00 24.76 ? 374 PHE H CZ 1 ATOM 1409 H H . PHE B 2 54 ? -23.306 -12.752 29.023 1.00 22.81 ? 374 PHE H H 1 ATOM 1410 H HA . PHE B 2 54 ? -22.862 -11.472 31.303 1.00 24.56 ? 374 PHE H HA 1 ATOM 1411 H HB2 . PHE B 2 54 ? -22.102 -10.904 28.654 1.00 24.89 ? 374 PHE H HB2 1 ATOM 1412 H HB3 . PHE B 2 54 ? -21.738 -9.927 29.850 1.00 24.89 ? 374 PHE H HB3 1 ATOM 1413 H HD1 . PHE B 2 54 ? -20.462 -11.100 31.796 1.00 27.49 ? 374 PHE H HD1 1 ATOM 1414 H HD2 . PHE B 2 54 ? -20.455 -12.414 28.035 1.00 28.70 ? 374 PHE H HD2 1 ATOM 1415 H HE1 . PHE B 2 54 ? -18.531 -12.296 32.214 1.00 28.75 ? 374 PHE H HE1 1 ATOM 1416 H HE2 . PHE B 2 54 ? -18.524 -13.610 28.449 1.00 29.16 ? 374 PHE H HE2 1 ATOM 1417 H HZ . PHE B 2 54 ? -17.555 -13.560 30.531 1.00 29.70 ? 374 PHE H HZ 1 ATOM 1418 N N . THR B 2 55 ? -24.167 -9.416 31.344 1.00 22.64 ? 375 THR H N 1 ATOM 1419 C CA . THR B 2 55 ? -24.997 -8.231 31.375 1.00 23.68 ? 375 THR H CA 1 ATOM 1420 C C . THR B 2 55 ? -24.079 -7.033 31.072 1.00 21.53 ? 375 THR H C 1 ATOM 1421 O O . THR B 2 55 ? -22.840 -7.129 31.121 1.00 20.66 ? 375 THR H O 1 ATOM 1422 C CB . THR B 2 55 ? -25.737 -8.108 32.733 1.00 27.00 ? 375 THR H CB 1 ATOM 1423 O OG1 . THR B 2 55 ? -26.772 -7.122 32.652 1.00 32.01 ? 375 THR H OG1 1 ATOM 1424 C CG2 . THR B 2 55 ? -24.784 -7.740 33.831 1.00 26.65 ? 375 THR H CG2 1 ATOM 1425 H H . THR B 2 55 ? -23.652 -9.499 32.028 1.00 27.15 ? 375 THR H H 1 ATOM 1426 H HA . THR B 2 55 ? -25.670 -8.290 30.665 1.00 28.40 ? 375 THR H HA 1 ATOM 1427 H HB . THR B 2 55 ? -26.133 -8.965 32.955 1.00 32.38 ? 375 THR H HB 1 ATOM 1428 H HG1 . THR B 2 55 ? -26.451 -6.392 32.461 1.00 38.40 ? 375 THR H HG1 1 ATOM 1429 H HG21 . THR B 2 55 ? -25.256 -7.667 34.664 1.00 31.96 ? 375 THR H HG21 1 ATOM 1430 H HG22 . THR B 2 55 ? -24.105 -8.412 33.915 1.00 31.96 ? 375 THR H HG22 1 ATOM 1431 H HG23 . THR B 2 55 ? -24.367 -6.898 33.635 1.00 31.96 ? 375 THR H HG23 1 ATOM 1432 N N . GLU B 2 56 ? -24.694 -5.915 30.741 1.00 19.22 ? 376 GLU H N 1 ATOM 1433 C CA . GLU B 2 56 ? -23.960 -4.717 30.374 1.00 18.60 ? 376 GLU H CA 1 ATOM 1434 C C . GLU B 2 56 ? -22.952 -4.305 31.427 1.00 18.14 ? 376 GLU H C 1 ATOM 1435 O O . GLU B 2 56 ? -21.842 -3.889 31.098 1.00 19.36 ? 376 GLU H O 1 ATOM 1436 C CB . GLU B 2 56 ? -24.943 -3.568 30.114 1.00 18.92 ? 376 GLU H CB 1 ATOM 1437 C CG . GLU B 2 56 ? -25.806 -3.721 28.849 1.00 19.77 ? 376 GLU H CG 1 ATOM 1438 C CD . GLU B 2 56 ? -27.034 -4.612 29.048 1.00 19.76 ? 376 GLU H CD 1 ATOM 1439 O OE1 . GLU B 2 56 ? -27.312 -5.051 30.183 1.00 23.28 ? 376 GLU H OE1 1 ATOM 1440 O OE2 . GLU B 2 56 ? -27.759 -4.837 28.071 1.00 18.68 ? 376 GLU H OE2 1 ATOM 1441 H H . GLU B 2 56 ? -25.548 -5.820 30.721 1.00 23.05 ? 376 GLU H H 1 ATOM 1442 H HA . GLU B 2 56 ? -23.471 -4.889 29.542 1.00 22.31 ? 376 GLU H HA 1 ATOM 1443 H HB2 . GLU B 2 56 ? -25.545 -3.500 30.872 1.00 22.69 ? 376 GLU H HB2 1 ATOM 1444 H HB3 . GLU B 2 56 ? -24.438 -2.745 30.025 1.00 22.69 ? 376 GLU H HB3 1 ATOM 1445 H HG2 . GLU B 2 56 ? -26.116 -2.844 28.574 1.00 23.71 ? 376 GLU H HG2 1 ATOM 1446 H HG3 . GLU B 2 56 ? -25.265 -4.114 28.147 1.00 23.71 ? 376 GLU H HG3 1 ATOM 1447 N N . ASN B 2 57 ? -23.325 -4.402 32.696 1.00 18.92 ? 377 ASN H N 1 ATOM 1448 C CA . ASN B 2 57 ? -22.473 -3.951 33.764 1.00 19.94 ? 377 ASN H CA 1 ATOM 1449 C C . ASN B 2 57 ? -21.260 -4.836 34.011 1.00 18.18 ? 377 ASN H C 1 ATOM 1450 O O . ASN B 2 57 ? -20.379 -4.473 34.785 1.00 19.83 ? 377 ASN H O 1 ATOM 1451 C CB . ASN B 2 57 ? -23.330 -3.839 35.028 1.00 25.31 ? 377 ASN H CB 1 ATOM 1452 C CG . ASN B 2 57 ? -22.622 -3.122 36.151 1.00 32.59 ? 377 ASN H CG 1 ATOM 1453 O OD1 . ASN B 2 57 ? -22.217 -1.971 36.000 1.00 36.40 ? 377 ASN H OD1 1 ATOM 1454 N ND2 . ASN B 2 57 ? -22.478 -3.794 37.296 1.00 33.94 ? 377 ASN H ND2 1 ATOM 1455 H H . ASN B 2 57 ? -24.076 -4.728 32.959 1.00 22.69 ? 377 ASN H H 1 ATOM 1456 H HA . ASN B 2 57 ? -22.145 -3.054 33.546 1.00 23.91 ? 377 ASN H HA 1 ATOM 1457 H HB2 . ASN B 2 57 ? -24.138 -3.346 34.819 1.00 30.36 ? 377 ASN H HB2 1 ATOM 1458 H HB3 . ASN B 2 57 ? -23.556 -4.731 35.336 1.00 30.36 ? 377 ASN H HB3 1 ATOM 1459 H HD21 . ASN B 2 57 ? -22.081 -3.425 37.964 1.00 40.72 ? 377 ASN H HD21 1 ATOM 1460 H HD22 . ASN B 2 57 ? -22.783 -4.595 37.366 1.00 40.72 ? 377 ASN H HD22 1 ATOM 1461 N N . ASP B 2 58 ? -21.209 -5.991 33.348 1.00 16.56 ? 378 ASP H N 1 ATOM 1462 C CA . ASP B 2 58 ? -20.093 -6.924 33.484 1.00 17.35 ? 378 ASP H CA 1 ATOM 1463 C C . ASP B 2 58 ? -18.923 -6.584 32.570 1.00 14.24 ? 378 ASP H C 1 ATOM 1464 O O . ASP B 2 58 ? -17.857 -7.154 32.726 1.00 15.43 ? 378 ASP H O 1 ATOM 1465 C CB . ASP B 2 58 ? -20.536 -8.339 33.068 1.00 19.21 ? 378 ASP H CB 1 ATOM 1466 C CG . ASP B 2 58 ? -21.557 -8.958 34.010 1.00 21.35 ? 378 ASP H CG 1 ATOM 1467 O OD1 . ASP B 2 58 ? -21.547 -8.628 35.233 1.00 23.32 ? 378 ASP H OD1 1 ATOM 1468 O OD2 . ASP B 2 58 ? -22.363 -9.777 33.500 1.00 22.51 ? 378 ASP H OD2 1 ATOM 1469 H H . ASP B 2 58 ? -21.819 -6.260 32.806 1.00 19.86 ? 378 ASP H H 1 ATOM 1470 H HA . ASP B 2 58 ? -19.781 -6.945 34.413 1.00 20.81 ? 378 ASP H HA 1 ATOM 1471 H HB2 . ASP B 2 58 ? -20.934 -8.296 32.184 1.00 23.04 ? 378 ASP H HB2 1 ATOM 1472 H HB3 . ASP B 2 58 ? -19.758 -8.919 33.050 1.00 23.04 ? 378 ASP H HB3 1 ATOM 1473 N N . LEU B 2 59 ? -19.126 -5.668 31.634 1.00 14.90 ? 379 LEU H N 1 ATOM 1474 C CA . LEU B 2 59 ? -18.239 -5.502 30.488 1.00 14.80 ? 379 LEU H CA 1 ATOM 1475 C C . LEU B 2 59 ? -17.822 -4.073 30.206 1.00 13.69 ? 379 LEU H C 1 ATOM 1476 O O . LEU B 2 59 ? -18.496 -3.134 30.626 1.00 15.56 ? 379 LEU H O 1 ATOM 1477 C CB . LEU B 2 59 ? -19.009 -5.983 29.252 1.00 17.41 ? 379 LEU H CB 1 ATOM 1478 C CG . LEU B 2 59 ? -19.546 -7.411 29.293 1.00 17.47 ? 379 LEU H CG 1 ATOM 1479 C CD1 . LEU B 2 59 ? -20.479 -7.603 28.130 1.00 19.61 ? 379 LEU H CD1 1 ATOM 1480 C CD2 . LEU B 2 59 ? -18.414 -8.407 29.275 1.00 20.54 ? 379 LEU H CD2 1 ATOM 1481 H H . LEU B 2 59 ? -19.786 -5.116 31.638 1.00 17.87 ? 379 LEU H H 1 ATOM 1482 H HA . LEU B 2 59 ? -17.437 -6.053 30.601 1.00 17.74 ? 379 LEU H HA 1 ATOM 1483 H HB2 . LEU B 2 59 ? -19.769 -5.395 29.120 1.00 20.88 ? 379 LEU H HB2 1 ATOM 1484 H HB3 . LEU B 2 59 ? -18.419 -5.921 28.484 1.00 20.88 ? 379 LEU H HB3 1 ATOM 1485 H HG . LEU B 2 59 ? -20.050 -7.540 30.112 1.00 20.95 ? 379 LEU H HG 1 ATOM 1486 H HD11 . LEU B 2 59 ? -20.821 -8.500 28.150 1.00 23.52 ? 379 LEU H HD11 1 ATOM 1487 H HD12 . LEU B 2 59 ? -21.201 -6.975 28.203 1.00 23.52 ? 379 LEU H HD12 1 ATOM 1488 H HD13 . LEU B 2 59 ? -19.995 -7.455 27.314 1.00 23.52 ? 379 LEU H HD13 1 ATOM 1489 H HD21 . LEU B 2 59 ? -18.779 -9.294 29.302 1.00 24.63 ? 379 LEU H HD21 1 ATOM 1490 H HD22 . LEU B 2 59 ? -17.905 -8.286 28.470 1.00 24.63 ? 379 LEU H HD22 1 ATOM 1491 H HD23 . LEU B 2 59 ? -17.855 -8.259 30.041 1.00 24.63 ? 379 LEU H HD23 1 ATOM 1492 N N . LEU B 2 60 ? -16.701 -3.921 29.502 1.00 12.74 ? 380 LEU H N 1 ATOM 1493 C CA . LEU B 2 60 ? -16.292 -2.649 28.911 1.00 12.79 ? 380 LEU H CA 1 ATOM 1494 C C . LEU B 2 60 ? -15.875 -2.897 27.485 1.00 10.99 ? 380 LEU H C 1 ATOM 1495 O O . LEU B 2 60 ? -15.564 -4.030 27.135 1.00 12.69 ? 380 LEU H O 1 ATOM 1496 C CB . LEU B 2 60 ? -15.060 -2.060 29.626 1.00 15.42 ? 380 LEU H CB 1 ATOM 1497 C CG . LEU B 2 60 ? -15.213 -1.783 31.088 1.00 17.11 ? 380 LEU H CG 1 ATOM 1498 C CD1 . LEU B 2 60 ? -13.807 -1.637 31.692 1.00 15.34 ? 380 LEU H CD1 1 ATOM 1499 C CD2 . LEU B 2 60 ? -16.003 -0.535 31.243 1.00 18.82 ? 380 LEU H CD2 1 ATOM 1500 H H . LEU B 2 60 ? -16.145 -4.559 29.350 1.00 15.27 ? 380 LEU H H 1 ATOM 1501 H HA . LEU B 2 60 ? -17.029 -2.003 28.932 1.00 15.33 ? 380 LEU H HA 1 ATOM 1502 H HB2 . LEU B 2 60 ? -14.324 -2.683 29.526 1.00 18.49 ? 380 LEU H HB2 1 ATOM 1503 H HB3 . LEU B 2 60 ? -14.832 -1.221 29.196 1.00 18.49 ? 380 LEU H HB3 1 ATOM 1504 H HG . LEU B 2 60 ? -15.677 -2.515 31.524 1.00 20.52 ? 380 LEU H HG 1 ATOM 1505 H HD11 . LEU B 2 60 ? -13.888 -1.459 32.632 1.00 18.40 ? 380 LEU H HD11 1 ATOM 1506 H HD12 . LEU B 2 60 ? -13.322 -2.454 31.554 1.00 18.40 ? 380 LEU H HD12 1 ATOM 1507 H HD13 . LEU B 2 60 ? -13.354 -0.910 31.258 1.00 18.40 ? 380 LEU H HD13 1 ATOM 1508 H HD21 . LEU B 2 60 ? -16.108 -0.346 32.178 1.00 22.57 ? 380 LEU H HD21 1 ATOM 1509 H HD22 . LEU B 2 60 ? -15.536 0.186 30.813 1.00 22.57 ? 380 LEU H HD22 1 ATOM 1510 H HD23 . LEU B 2 60 ? -16.863 -0.657 30.834 1.00 22.57 ? 380 LEU H HD23 1 ATOM 1511 N N . VAL B 2 61 ? -15.867 -1.838 26.676 1.00 10.57 ? 381 VAL H N 1 ATOM 1512 C CA . VAL B 2 61 ? -15.157 -1.913 25.409 1.00 11.57 ? 381 VAL H CA 1 ATOM 1513 C C . VAL B 2 61 ? -13.978 -0.959 25.428 1.00 10.62 ? 381 VAL H C 1 ATOM 1514 O O . VAL B 2 61 ? -14.007 0.087 26.060 1.00 13.18 ? 381 VAL H O 1 ATOM 1515 C CB . VAL B 2 61 ? -16.015 -1.691 24.184 1.00 15.88 ? 381 VAL H CB 1 ATOM 1516 C CG1 . VAL B 2 61 ? -17.063 -2.773 24.045 1.00 16.76 ? 381 VAL H CG1 1 ATOM 1517 C CG2 . VAL B 2 61 ? -16.622 -0.374 24.191 1.00 15.29 ? 381 VAL H CG2 1 ATOM 1518 H H . VAL B 2 61 ? -16.255 -1.087 26.835 1.00 12.67 ? 381 VAL H H 1 ATOM 1519 H HA . VAL B 2 61 ? -14.786 -2.817 25.330 1.00 13.87 ? 381 VAL H HA 1 ATOM 1520 H HB . VAL B 2 61 ? -15.439 -1.741 23.392 1.00 19.04 ? 381 VAL H HB 1 ATOM 1521 H HG11 . VAL B 2 61 ? -17.588 -2.601 23.259 1.00 20.10 ? 381 VAL H HG11 1 ATOM 1522 H HG12 . VAL B 2 61 ? -16.626 -3.624 23.967 1.00 20.10 ? 381 VAL H HG12 1 ATOM 1523 H HG13 . VAL B 2 61 ? -17.626 -2.764 24.823 1.00 20.10 ? 381 VAL H HG13 1 ATOM 1524 H HG21 . VAL B 2 61 ? -17.156 -0.273 23.400 1.00 18.33 ? 381 VAL H HG21 1 ATOM 1525 H HG22 . VAL B 2 61 ? -17.173 -0.289 24.972 1.00 18.33 ? 381 VAL H HG22 1 ATOM 1526 H HG23 . VAL B 2 61 ? -15.928 0.289 24.205 1.00 18.33 ? 381 VAL H HG23 1 ATOM 1527 N N . ARG B 2 62 ? -12.924 -1.393 24.762 1.00 10.36 ? 382 ARG H N 1 ATOM 1528 C CA . ARG B 2 62 ? -11.695 -0.622 24.663 1.00 10.19 ? 382 ARG H CA 1 ATOM 1529 C C . ARG B 2 62 ? -11.387 -0.440 23.201 1.00 9.63 ? 382 ARG H C 1 ATOM 1530 O O . ARG B 2 62 ? -11.245 -1.420 22.457 1.00 9.65 ? 382 ARG H O 1 ATOM 1531 C CB . ARG B 2 62 ? -10.553 -1.296 25.412 1.00 11.60 ? 382 ARG H CB 1 ATOM 1532 C CG . ARG B 2 62 ? -10.922 -1.603 26.845 1.00 13.78 ? 382 ARG H CG 1 ATOM 1533 C CD . ARG B 2 62 ? -9.862 -2.369 27.593 1.00 13.24 ? 382 ARG H CD 1 ATOM 1534 N NE . ARG B 2 62 ? -8.630 -1.603 27.784 1.00 14.74 ? 382 ARG H NE 1 ATOM 1535 C CZ . ARG B 2 62 ? -7.594 -2.056 28.472 1.00 16.07 ? 382 ARG H CZ 1 ATOM 1536 N NH1 . ARG B 2 62 ? -6.502 -1.349 28.524 1.00 16.12 ? 382 ARG H NH1 1 ATOM 1537 N NH2 . ARG B 2 62 ? -7.647 -3.241 29.055 1.00 16.21 ? 382 ARG H NH2 1 ATOM 1538 H H . ARG B 2 62 ? -12.893 -2.147 24.349 1.00 12.42 ? 382 ARG H H 1 ATOM 1539 H HA . ARG B 2 62 ? -11.839 0.264 25.058 1.00 12.21 ? 382 ARG H HA 1 ATOM 1540 H HB2 . ARG B 2 62 ? -10.332 -2.131 24.971 1.00 13.91 ? 382 ARG H HB2 1 ATOM 1541 H HB3 . ARG B 2 62 ? -9.783 -0.706 25.417 1.00 13.91 ? 382 ARG H HB3 1 ATOM 1542 H HG2 . ARG B 2 62 ? -11.072 -0.767 27.315 1.00 16.52 ? 382 ARG H HG2 1 ATOM 1543 H HG3 . ARG B 2 62 ? -11.734 -2.134 26.852 1.00 16.52 ? 382 ARG H HG3 1 ATOM 1544 H HD2 . ARG B 2 62 ? -10.205 -2.608 28.468 1.00 15.87 ? 382 ARG H HD2 1 ATOM 1545 H HD3 . ARG B 2 62 ? -9.642 -3.171 27.094 1.00 15.87 ? 382 ARG H HD3 1 ATOM 1546 H HE . ARG B 2 62 ? -8.636 -0.771 27.565 1.00 17.68 ? 382 ARG H HE 1 ATOM 1547 H HH11 . ARG B 2 62 ? -6.474 -0.573 28.153 1.00 19.33 ? 382 ARG H HH11 1 ATOM 1548 H HH12 . ARG B 2 62 ? -5.834 -1.625 28.991 1.00 19.33 ? 382 ARG H HH12 1 ATOM 1549 H HH21 . ARG B 2 62 ? -8.359 -3.718 28.995 1.00 19.44 ? 382 ARG H HH21 1 ATOM 1550 H HH22 . ARG B 2 62 ? -6.972 -3.530 29.503 1.00 19.44 ? 382 ARG H HH22 1 ATOM 1551 N N . ILE B 2 63 ? -11.305 0.803 22.785 1.00 10.33 ? 383 ILE H N 1 ATOM 1552 C CA . ILE B 2 63 ? -11.258 1.188 21.387 1.00 10.48 ? 383 ILE H CA 1 ATOM 1553 C C . ILE B 2 63 ? -9.946 1.929 21.156 1.00 10.15 ? 383 ILE H C 1 ATOM 1554 O O . ILE B 2 63 ? -9.504 2.657 22.030 1.00 11.43 ? 383 ILE H O 1 ATOM 1555 C CB . ILE B 2 63 ? -12.468 2.073 21.038 1.00 11.80 ? 383 ILE H CB 1 ATOM 1556 C CG1 . ILE B 2 63 ? -13.754 1.506 21.648 1.00 12.25 ? 383 ILE H CG1 1 ATOM 1557 C CG2 . ILE B 2 63 ? -12.580 2.215 19.560 1.00 14.49 ? 383 ILE H CG2 1 ATOM 1558 C CD1 . ILE B 2 63 ? -14.990 2.391 21.469 1.00 17.67 ? 383 ILE H CD1 1 ATOM 1559 H H . ILE B 2 63 ? -11.274 1.477 23.318 1.00 12.38 ? 383 ILE H H 1 ATOM 1560 H HA . ILE B 2 63 ? -11.275 0.389 20.820 1.00 12.56 ? 383 ILE H HA 1 ATOM 1561 H HB . ILE B 2 63 ? -12.317 2.953 21.416 1.00 14.14 ? 383 ILE H HB 1 ATOM 1562 H HG12 . ILE B 2 63 ? -13.943 0.651 21.232 1.00 14.69 ? 383 ILE H HG12 1 ATOM 1563 H HG13 . ILE B 2 63 ? -13.617 1.383 22.600 1.00 14.69 ? 383 ILE H HG13 1 ATOM 1564 H HG21 . ILE B 2 63 ? -13.338 2.769 19.357 1.00 17.37 ? 383 ILE H HG21 1 ATOM 1565 H HG22 . ILE B 2 63 ? -11.778 2.621 19.224 1.00 17.37 ? 383 ILE H HG22 1 ATOM 1566 H HG23 . ILE B 2 63 ? -12.695 1.345 19.171 1.00 17.37 ? 383 ILE H HG23 1 ATOM 1567 H HD11 . ILE B 2 63 ? -15.744 1.961 21.879 1.00 21.19 ? 383 ILE H HD11 1 ATOM 1568 H HD12 . ILE B 2 63 ? -14.829 3.240 21.887 1.00 21.19 ? 383 ILE H HD12 1 ATOM 1569 H HD13 . ILE B 2 63 ? -15.152 2.514 20.531 1.00 21.19 ? 383 ILE H HD13 1 ATOM 1570 N N . GLY B 2 64 ? -9.328 1.782 19.985 1.00 10.04 ? 384 GLY H N 1 ATOM 1571 C CA . GLY B 2 64 ? -8.066 2.441 19.661 1.00 10.84 ? 384 GLY H CA 1 ATOM 1572 C C . GLY B 2 64 ? -6.823 1.729 20.160 1.00 11.08 ? 384 GLY H C 1 ATOM 1573 O O . GLY B 2 64 ? -5.740 2.302 20.110 1.00 12.70 ? 384 GLY H O 1 ATOM 1574 H H . GLY B 2 64 ? -9.630 1.292 19.346 1.00 12.04 ? 384 GLY H H 1 ATOM 1575 H HA2 . GLY B 2 64 ? -7.995 2.526 18.697 1.00 12.99 ? 384 GLY H HA2 1 ATOM 1576 H HA3 . GLY B 2 64 ? -8.071 3.334 20.041 1.00 12.99 ? 384 GLY H HA3 1 ATOM 1577 N N . LYS B 2 65 ? -6.939 0.468 20.575 1.00 10.43 ? 385 LYS H N 1 ATOM 1578 C CA . LYS B 2 65 ? -5.804 -0.234 21.160 1.00 10.47 ? 385 LYS H CA 1 ATOM 1579 C C . LYS B 2 65 ? -4.877 -0.858 20.123 1.00 11.42 ? 385 LYS H C 1 ATOM 1580 O O . LYS B 2 65 ? -5.274 -1.200 19.009 1.00 11.62 ? 385 LYS H O 1 ATOM 1581 C CB . LYS B 2 65 ? -6.289 -1.320 22.096 1.00 11.53 ? 385 LYS H CB 1 ATOM 1582 C CG . LYS B 2 65 ? -6.888 -0.758 23.366 1.00 12.02 ? 385 LYS H CG 1 ATOM 1583 C CD . LYS B 2 65 ? -7.067 -1.786 24.485 1.00 13.09 ? 385 LYS H CD 1 ATOM 1584 C CE . LYS B 2 65 ? -5.744 -2.347 24.970 1.00 13.77 ? 385 LYS H CE 1 ATOM 1585 N NZ . LYS B 2 65 ? -4.788 -1.255 25.358 1.00 15.83 ? 385 LYS H NZ 1 ATOM 1586 H H . LYS B 2 65 ? -7.661 0.001 20.529 1.00 12.50 ? 385 LYS H H 1 ATOM 1587 H HA . LYS B 2 65 ? -5.277 0.403 21.687 1.00 12.55 ? 385 LYS H HA 1 ATOM 1588 H HB2 . LYS B 2 65 ? -6.970 -1.844 21.647 1.00 13.82 ? 385 LYS H HB2 1 ATOM 1589 H HB3 . LYS B 2 65 ? -5.540 -1.886 22.340 1.00 13.82 ? 385 LYS H HB3 1 ATOM 1590 H HG2 . LYS B 2 65 ? -6.307 -0.057 23.700 1.00 14.40 ? 385 LYS H HG2 1 ATOM 1591 H HG3 . LYS B 2 65 ? -7.762 -0.390 23.161 1.00 14.40 ? 385 LYS H HG3 1 ATOM 1592 H HD2 . LYS B 2 65 ? -7.508 -1.362 25.237 1.00 15.69 ? 385 LYS H HD2 1 ATOM 1593 H HD3 . LYS B 2 65 ? -7.605 -2.523 24.155 1.00 15.69 ? 385 LYS H HD3 1 ATOM 1594 H HE2 . LYS B 2 65 ? -5.900 -2.905 25.748 1.00 16.51 ? 385 LYS H HE2 1 ATOM 1595 H HE3 . LYS B 2 65 ? -5.338 -2.868 24.259 1.00 16.51 ? 385 LYS H HE3 1 ATOM 1596 H HZ1 . LYS B 2 65 ? -4.021 -1.609 25.638 1.00 18.99 ? 385 LYS H HZ1 1 ATOM 1597 H HZ2 . LYS B 2 65 ? -4.626 -0.730 24.658 1.00 18.99 ? 385 LYS H HZ2 1 ATOM 1598 H HZ3 . LYS B 2 65 ? -5.137 -0.764 26.013 1.00 18.99 ? 385 LYS H HZ3 1 ATOM 1599 N N . HIS B 2 66 ? -3.639 -1.044 20.551 1.00 11.46 ? 386 HIS H N 1 ATOM 1600 C CA . HIS B 2 66 ? -2.617 -1.739 19.805 1.00 11.64 ? 386 HIS H CA 1 ATOM 1601 C C . HIS B 2 66 ? -2.061 -2.855 20.704 1.00 11.73 ? 386 HIS H C 1 ATOM 1602 O O . HIS B 2 66 ? -2.162 -4.043 20.376 1.00 12.24 ? 386 HIS H O 1 ATOM 1603 C CB . HIS B 2 66 ? -1.573 -0.765 19.272 1.00 12.97 ? 386 HIS H CB 1 ATOM 1604 C CG . HIS B 2 66 ? -0.525 -1.422 18.444 1.00 13.98 ? 386 HIS H CG 1 ATOM 1605 N ND1 . HIS B 2 66 ? -0.798 -2.007 17.231 1.00 16.20 ? 386 HIS H ND1 1 ATOM 1606 C CD2 . HIS B 2 66 ? 0.793 -1.616 18.672 1.00 14.71 ? 386 HIS H CD2 1 ATOM 1607 C CE1 . HIS B 2 66 ? 0.322 -2.509 16.731 1.00 15.59 ? 386 HIS H CE1 1 ATOM 1608 N NE2 . HIS B 2 66 ? 1.293 -2.300 17.599 1.00 16.04 ? 386 HIS H NE2 1 ATOM 1609 H H . HIS B 2 66 ? -3.359 -0.758 21.312 1.00 13.74 ? 386 HIS H H 1 ATOM 1610 H HA . HIS B 2 66 ? -3.037 -2.169 19.031 1.00 13.95 ? 386 HIS H HA 1 ATOM 1611 H HB2 . HIS B 2 66 ? -2.015 -0.101 18.721 1.00 15.55 ? 386 HIS H HB2 1 ATOM 1612 H HB3 . HIS B 2 66 ? -1.133 -0.334 20.021 1.00 15.55 ? 386 HIS H HB3 1 ATOM 1613 H HD1 . HIS B 2 66 ? -1.567 -2.022 16.847 1.00 19.42 ? 386 HIS H HD1 1 ATOM 1614 H HD2 . HIS B 2 66 ? 1.270 -1.339 19.421 1.00 17.64 ? 386 HIS H HD2 1 ATOM 1615 H HE1 . HIS B 2 66 ? 0.403 -2.957 15.920 1.00 18.70 ? 386 HIS H HE1 1 ATOM 1616 H HE2 . HIS B 2 66 ? 2.114 -2.536 17.496 1.00 19.24 ? 386 HIS H HE2 1 ATOM 1617 N N . SER B 2 67 ? -1.474 -2.487 21.833 1.00 13.32 ? 387 SER H N 1 ATOM 1618 C CA . SER B 2 67 ? -1.031 -3.461 22.825 1.00 14.13 ? 387 SER H CA 1 ATOM 1619 C C . SER B 2 67 ? -2.210 -4.282 23.352 1.00 14.22 ? 387 SER H C 1 ATOM 1620 O O . SER B 2 67 ? -3.297 -3.747 23.562 1.00 14.97 ? 387 SER H O 1 ATOM 1621 C CB . SER B 2 67 ? -0.388 -2.715 23.988 1.00 15.42 ? 387 SER H CB 1 ATOM 1622 O OG . SER B 2 67 ? -0.031 -3.616 25.013 1.00 18.03 ? 387 SER H OG 1 ATOM 1623 H H . SER B 2 67 ? -1.318 -1.670 22.053 1.00 15.96 ? 387 SER H H 1 ATOM 1624 H HA . SER B 2 67 ? -0.371 -4.067 22.429 1.00 16.94 ? 387 SER H HA 1 ATOM 1625 H HB2 . SER B 2 67 ? 0.409 -2.262 23.671 1.00 18.49 ? 387 SER H HB2 1 ATOM 1626 H HB3 . SER B 2 67 ? -1.021 -2.070 24.339 1.00 18.49 ? 387 SER H HB3 1 ATOM 1627 H HG . SER B 2 67 ? -0.234 -4.380 24.798 1.00 21.62 ? 387 SER H HG 1 ATOM 1628 N N . ARG B 2 68 ? -1.986 -5.578 23.568 1.00 13.90 ? 388 ARG H N 1 ATOM 1629 C CA . ARG B 2 68 ? -2.981 -6.425 24.197 1.00 14.79 ? 388 ARG H CA 1 ATOM 1630 C C . ARG B 2 68 ? -3.248 -6.029 25.647 1.00 17.01 ? 388 ARG H C 1 ATOM 1631 O O . ARG B 2 68 ? -4.363 -6.105 26.113 1.00 18.82 ? 388 ARG H O 1 ATOM 1632 C CB . ARG B 2 68 ? -2.538 -7.872 24.132 1.00 14.31 ? 388 ARG H CB 1 ATOM 1633 C CG . ARG B 2 68 ? -3.580 -8.851 24.664 1.00 15.69 ? 388 ARG H CG 1 ATOM 1634 C CD . ARG B 2 68 ? -3.150 -10.290 24.482 1.00 18.22 ? 388 ARG H CD 1 ATOM 1635 N NE . ARG B 2 68 ? -1.882 -10.561 25.139 1.00 18.81 ? 388 ARG H NE 1 ATOM 1636 C CZ . ARG B 2 68 ? -1.750 -10.934 26.405 1.00 21.43 ? 388 ARG H CZ 1 ATOM 1637 N NH1 . ARG B 2 68 ? -0.549 -11.146 26.889 1.00 23.89 ? 388 ARG H NH1 1 ATOM 1638 N NH2 . ARG B 2 68 ? -2.814 -11.080 27.187 1.00 23.98 ? 388 ARG H NH2 1 ATOM 1639 H H . ARG B 2 68 ? -1.260 -5.987 23.356 1.00 16.67 ? 388 ARG H H 1 ATOM 1640 H HA . ARG B 2 68 ? -3.824 -6.345 23.704 1.00 17.73 ? 388 ARG H HA 1 ATOM 1641 H HB2 . ARG B 2 68 ? -2.357 -8.104 23.207 1.00 17.16 ? 388 ARG H HB2 1 ATOM 1642 H HB3 . ARG B 2 68 ? -1.732 -7.978 24.662 1.00 17.16 ? 388 ARG H HB3 1 ATOM 1643 H HG2 . ARG B 2 68 ? -3.711 -8.692 25.612 1.00 18.81 ? 388 ARG H HG2 1 ATOM 1644 H HG3 . ARG B 2 68 ? -4.413 -8.722 24.185 1.00 18.81 ? 388 ARG H HG3 1 ATOM 1645 H HD2 . ARG B 2 68 ? -3.822 -10.875 24.867 1.00 21.85 ? 388 ARG H HD2 1 ATOM 1646 H HD3 . ARG B 2 68 ? -3.047 -10.475 23.536 1.00 21.85 ? 388 ARG H HD3 1 ATOM 1647 H HE . ARG B 2 68 ? -1.165 -10.474 24.672 1.00 22.56 ? 388 ARG H HE 1 ATOM 1648 H HH11 . ARG B 2 68 ? 0.141 -11.051 26.384 1.00 28.65 ? 388 ARG H HH11 1 ATOM 1649 H HH12 . ARG B 2 68 ? -0.452 -11.387 27.709 1.00 28.65 ? 388 ARG H HH12 1 ATOM 1650 H HH21 . ARG B 2 68 ? -3.602 -10.939 26.873 1.00 28.76 ? 388 ARG H HH21 1 ATOM 1651 H HH22 . ARG B 2 68 ? -2.714 -11.321 28.007 1.00 28.76 ? 388 ARG H HH22 1 ATOM 1652 N N . THR B 2 69 ? -2.202 -5.635 26.357 1.00 16.66 ? 389 THR H N 1 ATOM 1653 C CA . THR B 2 69 ? -2.277 -5.523 27.803 1.00 19.03 ? 389 THR H CA 1 ATOM 1654 C C . THR B 2 69 ? -2.037 -4.129 28.358 1.00 19.72 ? 389 THR H C 1 ATOM 1655 O O . THR B 2 69 ? -2.539 -3.797 29.437 1.00 22.86 ? 389 THR H O 1 ATOM 1656 C CB . THR B 2 69 ? -1.243 -6.444 28.458 1.00 22.99 ? 389 THR H CB 1 ATOM 1657 O OG1 . THR B 2 69 ? 0.069 -6.110 27.977 1.00 25.72 ? 389 THR H OG1 1 ATOM 1658 C CG2 . THR B 2 69 ? -1.550 -7.897 28.130 1.00 23.94 ? 389 THR H CG2 1 ATOM 1659 H H . THR B 2 69 ? -1.437 -5.426 26.024 1.00 19.98 ? 389 THR H H 1 ATOM 1660 H HA . THR B 2 69 ? -3.166 -5.813 28.096 1.00 22.82 ? 389 THR H HA 1 ATOM 1661 H HB . THR B 2 69 ? -1.274 -6.333 29.421 1.00 27.58 ? 389 THR H HB 1 ATOM 1662 H HG1 . THR B 2 69 ? 0.629 -6.599 28.323 1.00 30.85 ? 389 THR H HG1 1 ATOM 1663 H HG21 . THR B 2 69 ? -0.900 -8.471 28.542 1.00 28.71 ? 389 THR H HG21 1 ATOM 1664 H HG22 . THR B 2 69 ? -2.423 -8.130 28.455 1.00 28.71 ? 389 THR H HG22 1 ATOM 1665 H HG23 . THR B 2 69 ? -1.526 -8.030 27.179 1.00 28.71 ? 389 THR H HG23 1 ATOM 1666 N N . ARG B 2 70 ? -1.245 -3.307 27.677 1.00 18.80 ? 390 ARG H N 1 ATOM 1667 C CA . ARG B 2 70 ? -0.873 -2.012 28.247 1.00 20.60 ? 390 ARG H CA 1 ATOM 1668 C C . ARG B 2 70 ? -2.043 -1.058 28.182 1.00 18.26 ? 390 ARG H C 1 ATOM 1669 O O . ARG B 2 70 ? -2.801 -1.059 27.231 1.00 17.48 ? 390 ARG H O 1 ATOM 1670 C CB . ARG B 2 70 ? 0.338 -1.440 27.495 1.00 24.28 ? 390 ARG H CB 1 ATOM 1671 C CG . ARG B 2 70 ? 1.136 -0.447 28.318 1.00 32.56 ? 390 ARG H CG 1 ATOM 1672 C CD . ARG B 2 70 ? 2.373 0.056 27.571 1.00 38.92 ? 390 ARG H CD 1 ATOM 1673 N NE . ARG B 2 70 ? 2.022 0.865 26.406 1.00 42.58 ? 390 ARG H NE 1 ATOM 1674 C CZ . ARG B 2 70 ? 1.634 2.133 26.467 1.00 45.07 ? 390 ARG H CZ 1 ATOM 1675 N NH1 . ARG B 2 70 ? 1.338 2.788 25.355 1.00 45.57 ? 390 ARG H NH1 1 ATOM 1676 N NH2 . ARG B 2 70 ? 1.538 2.751 27.637 1.00 46.84 ? 390 ARG H NH2 1 ATOM 1677 H H . ARG B 2 70 ? -0.916 -3.468 26.899 1.00 22.55 ? 390 ARG H H 1 ATOM 1678 H HA . ARG B 2 70 ? -0.624 -2.131 29.187 1.00 24.70 ? 390 ARG H HA 1 ATOM 1679 H HB2 . ARG B 2 70 ? 0.930 -2.169 27.251 1.00 29.12 ? 390 ARG H HB2 1 ATOM 1680 H HB3 . ARG B 2 70 ? 0.027 -0.985 26.697 1.00 29.12 ? 390 ARG H HB3 1 ATOM 1681 H HG2 . ARG B 2 70 ? 0.576 0.318 28.525 1.00 39.06 ? 390 ARG H HG2 1 ATOM 1682 H HG3 . ARG B 2 70 ? 1.430 -0.876 29.137 1.00 39.06 ? 390 ARG H HG3 1 ATOM 1683 H HD2 . ARG B 2 70 ? 2.905 0.604 28.170 1.00 46.69 ? 390 ARG H HD2 1 ATOM 1684 H HD3 . ARG B 2 70 ? 2.891 -0.705 27.266 1.00 46.69 ? 390 ARG H HD3 1 ATOM 1685 H HE . ARG B 2 70 ? 2.069 0.495 25.631 1.00 51.08 ? 390 ARG H HE 1 ATOM 1686 H HH11 . ARG B 2 70 ? 1.398 2.393 24.594 1.00 54.67 ? 390 ARG H HH11 1 ATOM 1687 H HH12 . ARG B 2 70 ? 1.085 3.609 25.394 1.00 54.67 ? 390 ARG H HH12 1 ATOM 1688 H HH21 . ARG B 2 70 ? 1.729 2.330 28.363 1.00 56.19 ? 390 ARG H HH21 1 ATOM 1689 H HH22 . ARG B 2 70 ? 1.285 3.572 27.671 1.00 56.19 ? 390 ARG H HH22 1 ATOM 1690 N N . TYR B 2 71 ? -2.212 -0.245 29.214 1.00 19.00 ? 391 TYR H N 1 ATOM 1691 C CA . TYR B 2 71 ? -3.174 0.835 29.172 1.00 18.64 ? 391 TYR H CA 1 ATOM 1692 C C . TYR B 2 71 ? -2.581 1.938 28.311 1.00 19.38 ? 391 TYR H C 1 ATOM 1693 O O . TYR B 2 71 ? -1.552 2.498 28.640 1.00 23.05 ? 391 TYR H O 1 ATOM 1694 C CB . TYR B 2 71 ? -3.527 1.362 30.578 1.00 21.29 ? 391 TYR H CB 1 ATOM 1695 C CG . TYR B 2 71 ? -4.416 2.588 30.529 1.00 23.17 ? 391 TYR H CG 1 ATOM 1696 C CD1 . TYR B 2 71 ? -5.616 2.552 29.830 1.00 25.75 ? 391 TYR H CD1 1 ATOM 1697 C CD2 . TYR B 2 71 ? -4.054 3.774 31.137 1.00 25.45 ? 391 TYR H CD2 1 ATOM 1698 C CE1 . TYR B 2 71 ? -6.435 3.648 29.747 1.00 27.56 ? 391 TYR H CE1 1 ATOM 1699 C CE2 . TYR B 2 71 ? -4.886 4.898 31.065 1.00 27.98 ? 391 TYR H CE2 1 ATOM 1700 C CZ . TYR B 2 71 ? -6.077 4.819 30.363 1.00 28.98 ? 391 TYR H CZ 1 ATOM 1701 O OH . TYR B 2 71 ? -6.928 5.907 30.271 1.00 32.26 ? 391 TYR H OH 1 ATOM 1702 H H . TYR B 2 71 ? -1.776 -0.300 29.953 1.00 22.78 ? 391 TYR H H 1 ATOM 1703 H HA . TYR B 2 71 ? -3.998 0.520 28.746 1.00 22.35 ? 391 TYR H HA 1 ATOM 1704 H HB2 . TYR B 2 71 ? -3.996 0.669 31.068 1.00 25.53 ? 391 TYR H HB2 1 ATOM 1705 H HB3 . TYR B 2 71 ? -2.709 1.602 31.041 1.00 25.53 ? 391 TYR H HB3 1 ATOM 1706 H HD1 . TYR B 2 71 ? -5.870 1.764 29.408 1.00 30.89 ? 391 TYR H HD1 1 ATOM 1707 H HD2 . TYR B 2 71 ? -3.253 3.824 31.607 1.00 30.53 ? 391 TYR H HD2 1 ATOM 1708 H HE1 . TYR B 2 71 ? -7.237 3.595 29.280 1.00 33.06 ? 391 TYR H HE1 1 ATOM 1709 H HE2 . TYR B 2 71 ? -4.640 5.692 31.482 1.00 33.56 ? 391 TYR H HE2 1 ATOM 1710 H HH . TYR B 2 71 ? -6.544 6.534 29.908 1.00 38.69 ? 391 TYR H HH 1 ATOM 1711 N N . GLU B 2 72 ? -3.230 2.253 27.213 1.00 16.66 ? 392 GLU H N 1 ATOM 1712 C CA . GLU B 2 72 ? -2.670 3.157 26.233 1.00 16.31 ? 392 GLU H CA 1 ATOM 1713 C C . GLU B 2 72 ? -3.304 4.529 26.388 1.00 17.65 ? 392 GLU H C 1 ATOM 1714 O O . GLU B 2 72 ? -4.163 4.939 25.599 1.00 17.88 ? 392 GLU H O 1 ATOM 1715 C CB . GLU B 2 72 ? -2.844 2.547 24.838 1.00 15.90 ? 392 GLU H CB 1 ATOM 1716 C CG . GLU B 2 72 ? -1.989 1.290 24.692 1.00 15.98 ? 392 GLU H CG 1 ATOM 1717 C CD . GLU B 2 72 ? -2.259 0.487 23.443 1.00 14.79 ? 392 GLU H CD 1 ATOM 1718 O OE1 . GLU B 2 72 ? -3.395 0.057 23.239 1.00 14.70 ? 392 GLU H OE1 1 ATOM 1719 O OE2 . GLU B 2 72 ? -1.314 0.216 22.669 1.00 17.12 ? 392 GLU H OE2 1 ATOM 1720 H H . GLU B 2 72 ? -4.010 1.954 27.008 1.00 19.97 ? 392 GLU H H 1 ATOM 1721 H HA . GLU B 2 72 ? -1.709 3.250 26.400 1.00 19.56 ? 392 GLU H HA 1 ATOM 1722 H HB2 . GLU B 2 72 ? -3.774 2.303 24.706 1.00 19.07 ? 392 GLU H HB2 1 ATOM 1723 H HB3 . GLU B 2 72 ? -2.564 3.189 24.167 1.00 19.07 ? 392 GLU H HB3 1 ATOM 1724 H HG2 . GLU B 2 72 ? -1.055 1.552 24.676 1.00 19.16 ? 392 GLU H HG2 1 ATOM 1725 H HG3 . GLU B 2 72 ? -2.154 0.713 25.454 1.00 19.16 ? 392 GLU H HG3 1 ATOM 1726 N N . ARG B 2 73 ? -2.877 5.226 27.435 1.00 18.97 ? 393 ARG H N 1 ATOM 1727 C CA . ARG B 2 73 ? -3.560 6.433 27.892 1.00 22.27 ? 393 ARG H CA 1 ATOM 1728 C C . ARG B 2 73 ? -3.763 7.483 26.800 1.00 24.94 ? 393 ARG H C 1 ATOM 1729 O O . ARG B 2 73 ? -4.802 8.157 26.700 1.00 25.79 ? 393 ARG H O 1 ATOM 1730 C CB . ARG B 2 73 ? -2.740 7.048 29.040 1.00 26.12 ? 393 ARG H CB 1 ATOM 1731 C CG . ARG B 2 73 ? -3.358 8.306 29.660 1.00 30.18 ? 393 ARG H CG 1 ATOM 1732 C CD . ARG B 2 73 ? -2.393 9.034 30.579 1.00 33.35 ? 393 ARG H CD 1 ATOM 1733 N NE . ARG B 2 73 ? -1.884 8.145 31.610 1.00 33.85 ? 393 ARG H NE 1 ATOM 1734 C CZ . ARG B 2 73 ? -0.674 7.591 31.591 1.00 36.75 ? 393 ARG H CZ 1 ATOM 1735 N NH1 . ARG B 2 73 ? -0.319 6.775 32.569 1.00 35.65 ? 393 ARG H NH1 1 ATOM 1736 N NH2 . ARG B 2 73 ? 0.182 7.849 30.610 1.00 39.57 ? 393 ARG H NH2 1 ATOM 1737 H H . ARG B 2 73 ? -2.186 5.020 27.904 1.00 22.75 ? 393 ARG H H 1 ATOM 1738 H HA . ARG B 2 73 ? -4.441 6.188 28.245 1.00 26.71 ? 393 ARG H HA 1 ATOM 1739 H HB2 . ARG B 2 73 ? -2.648 6.387 29.745 1.00 31.33 ? 393 ARG H HB2 1 ATOM 1740 H HB3 . ARG B 2 73 ? -1.863 7.288 28.701 1.00 31.33 ? 393 ARG H HB3 1 ATOM 1741 H HG2 . ARG B 2 73 ? -3.616 8.915 28.951 1.00 36.20 ? 393 ARG H HG2 1 ATOM 1742 H HG3 . ARG B 2 73 ? -4.137 8.053 30.180 1.00 36.20 ? 393 ARG H HG3 1 ATOM 1743 H HD2 . ARG B 2 73 ? -1.642 9.363 30.061 1.00 40.01 ? 393 ARG H HD2 1 ATOM 1744 H HD3 . ARG B 2 73 ? -2.854 9.770 31.011 1.00 40.01 ? 393 ARG H HD3 1 ATOM 1745 H HE . ARG B 2 73 ? -2.398 7.965 32.276 1.00 40.61 ? 393 ARG H HE 1 ATOM 1746 H HH11 . ARG B 2 73 ? -0.867 6.609 33.211 1.00 42.76 ? 393 ARG H HH11 1 ATOM 1747 H HH12 . ARG B 2 73 ? 0.465 6.422 32.571 1.00 42.76 ? 393 ARG H HH12 1 ATOM 1748 H HH21 . ARG B 2 73 ? -0.045 8.373 29.968 1.00 47.47 ? 393 ARG H HH21 1 ATOM 1749 H HH22 . ARG B 2 73 ? 0.962 7.486 30.614 1.00 47.47 ? 393 ARG H HH22 1 ATOM 1750 N N . ASN B 2 74 ? -2.703 7.625 26.035 1.00 26.23 ? 394 ASN H N 1 ATOM 1751 C CA . ASN B 2 74 ? -2.616 8.411 24.811 1.00 35.11 ? 394 ASN H CA 1 ATOM 1752 C C . ASN B 2 74 ? -3.727 8.204 23.746 1.00 34.63 ? 394 ASN H C 1 ATOM 1753 O O . ASN B 2 74 ? -4.253 9.153 23.113 1.00 34.80 ? 394 ASN H O 1 ATOM 1754 C CB . ASN B 2 74 ? -1.230 8.077 24.188 1.00 38.94 ? 394 ASN H CB 1 ATOM 1755 C CG . ASN B 2 74 ? -0.480 6.896 24.944 1.00 38.21 ? 394 ASN H CG 1 ATOM 1756 O OD1 . ASN B 2 74 ? -0.021 7.107 26.068 1.00 43.85 ? 394 ASN H OD1 1 ATOM 1757 N ND2 . ASN B 2 74 ? -0.369 5.681 24.325 1.00 28.46 ? 394 ASN H ND2 1 ATOM 1758 H H . ASN B 2 74 ? -1.955 7.244 26.220 1.00 31.47 ? 394 ASN H H 1 ATOM 1759 H HA . ASN B 2 74 ? -2.613 9.361 25.051 1.00 42.12 ? 394 ASN H HA 1 ATOM 1760 H HB2 . ASN B 2 74 ? -1.355 7.809 23.264 1.00 46.72 ? 394 ASN H HB2 1 ATOM 1761 H HB3 . ASN B 2 74 ? -0.666 8.865 24.230 1.00 46.72 ? 394 ASN H HB3 1 ATOM 1762 H HD21 . ASN B 2 74 ? 0.033 5.032 24.721 1.00 34.13 ? 394 ASN H HD21 1 ATOM 1763 H HD22 . ASN B 2 74 ? -0.701 5.566 23.540 1.00 34.13 ? 394 ASN H HD22 1 ATOM 1764 N N . ILE B 2 75 ? -4.096 6.956 23.537 1.00 28.55 ? 395 ILE H N 1 ATOM 1765 C CA . ILE B 2 75 ? -4.790 6.638 22.318 1.00 22.76 ? 395 ILE H CA 1 ATOM 1766 C C . ILE B 2 75 ? -6.056 5.825 22.510 1.00 16.58 ? 395 ILE H C 1 ATOM 1767 O O . ILE B 2 75 ? -6.947 5.951 21.696 1.00 17.71 ? 395 ILE H O 1 ATOM 1768 C CB . ILE B 2 75 ? -3.835 5.955 21.268 1.00 26.54 ? 395 ILE H CB 1 ATOM 1769 C CG1 . ILE B 2 75 ? -3.637 4.489 21.580 1.00 27.33 ? 395 ILE H CG1 1 ATOM 1770 C CG2 . ILE B 2 75 ? -2.503 6.704 21.176 1.00 30.28 ? 395 ILE H CG2 1 ATOM 1771 C CD1 . ILE B 2 75 ? -2.580 3.843 20.806 1.00 31.79 ? 395 ILE H CD1 1 ATOM 1772 H H . ILE B 2 75 ? -3.961 6.294 24.070 1.00 34.24 ? 395 ILE H H 1 ATOM 1773 H HA . ILE B 2 75 ? -5.071 7.488 21.919 1.00 27.29 ? 395 ILE H HA 1 ATOM 1774 H HB . ILE B 2 75 ? -4.265 6.014 20.401 1.00 31.83 ? 395 ILE H HB 1 ATOM 1775 H HG12 . ILE B 2 75 ? -3.411 4.399 22.519 1.00 32.78 ? 395 ILE H HG12 1 ATOM 1776 H HG13 . ILE B 2 75 ? -4.465 4.018 21.397 1.00 32.78 ? 395 ILE H HG13 1 ATOM 1777 H HG21 . ILE B 2 75 ? -1.943 6.267 20.530 1.00 36.32 ? 395 ILE H HG21 1 ATOM 1778 H HG22 . ILE B 2 75 ? -2.672 7.609 20.903 1.00 36.32 ? 395 ILE H HG22 1 ATOM 1779 H HG23 . ILE B 2 75 ? -2.079 6.695 22.037 1.00 36.32 ? 395 ILE H HG23 1 ATOM 1780 H HD11 . ILE B 2 75 ? -2.523 2.921 21.065 1.00 38.13 ? 395 ILE H HD11 1 ATOM 1781 H HD12 . ILE B 2 75 ? -2.793 3.909 19.872 1.00 38.13 ? 395 ILE H HD12 1 ATOM 1782 H HD13 . ILE B 2 75 ? -1.748 4.286 20.984 1.00 38.13 ? 395 ILE H HD13 1 ATOM 1783 N N . GLU B 2 76 ? -6.155 4.983 23.531 1.00 13.82 ? 396 GLU H N 1 ATOM 1784 C CA . GLU B 2 76 ? -7.355 4.161 23.667 1.00 13.44 ? 396 GLU H CA 1 ATOM 1785 C C . GLU B 2 76 ? -8.437 4.924 24.408 1.00 12.07 ? 396 GLU H C 1 ATOM 1786 O O . GLU B 2 76 ? -8.185 5.871 25.141 1.00 14.07 ? 396 GLU H O 1 ATOM 1787 C CB . GLU B 2 76 ? -7.089 2.818 24.344 1.00 14.87 ? 396 GLU H CB 1 ATOM 1788 C CG . GLU B 2 76 ? -6.966 2.870 25.870 1.00 15.01 ? 396 GLU H CG 1 ATOM 1789 C CD . GLU B 2 76 ? -6.899 1.465 26.463 1.00 14.72 ? 396 GLU H CD 1 ATOM 1790 O OE1 . GLU B 2 76 ? -7.982 0.853 26.641 1.00 15.90 ? 396 GLU H OE1 1 ATOM 1791 O OE2 . GLU B 2 76 ? -5.772 0.963 26.713 1.00 15.09 ? 396 GLU H OE2 1 ATOM 1792 H H . GLU B 2 76 ? -5.561 4.869 24.142 1.00 16.57 ? 396 GLU H H 1 ATOM 1793 H HA . GLU B 2 76 ? -7.698 3.969 22.769 1.00 16.11 ? 396 GLU H HA 1 ATOM 1794 H HB2 . GLU B 2 76 ? -7.819 2.215 24.130 1.00 17.83 ? 396 GLU H HB2 1 ATOM 1795 H HB3 . GLU B 2 76 ? -6.258 2.457 23.997 1.00 17.83 ? 396 GLU H HB3 1 ATOM 1796 H HG2 . GLU B 2 76 ? -6.154 3.342 26.112 1.00 17.99 ? 396 GLU H HG2 1 ATOM 1797 H HG3 . GLU B 2 76 ? -7.741 3.320 26.240 1.00 17.99 ? 396 GLU H HG3 1 ATOM 1798 N N . LYS B 2 77 ? -9.661 4.528 24.138 1.00 12.23 ? 397 LYS H N 1 ATOM 1799 C CA A LYS B 2 77 ? -10.821 5.015 24.860 0.48 13.35 ? 397 LYS H CA 1 ATOM 1800 C CA B LYS B 2 77 ? -10.866 5.023 24.795 0.52 12.87 ? 397 LYS H CA 1 ATOM 1801 C C . LYS B 2 77 ? -11.596 3.826 25.378 1.00 11.98 ? 397 LYS H C 1 ATOM 1802 O O . LYS B 2 77 ? -11.815 2.851 24.667 1.00 12.47 ? 397 LYS H O 1 ATOM 1803 C CB A LYS B 2 77 ? -11.703 5.864 23.953 0.48 15.32 ? 397 LYS H CB 1 ATOM 1804 C CB B LYS B 2 77 ? -11.765 5.705 23.760 0.52 14.35 ? 397 LYS H CB 1 ATOM 1805 C CG A LYS B 2 77 ? -11.018 7.135 23.487 0.48 17.13 ? 397 LYS H CG 1 ATOM 1806 C CG B LYS B 2 77 ? -13.178 6.038 24.213 0.52 17.11 ? 397 LYS H CG 1 ATOM 1807 C CD A LYS B 2 77 ? -10.947 8.173 24.587 0.48 19.98 ? 397 LYS H CD 1 ATOM 1808 C CD B LYS B 2 77 ? -13.177 7.053 25.321 0.52 19.58 ? 397 LYS H CD 1 ATOM 1809 C CE A LYS B 2 77 ? -10.220 9.406 24.089 0.48 23.12 ? 397 LYS H CE 1 ATOM 1810 C CE B LYS B 2 77 ? -14.603 7.341 25.775 0.52 22.87 ? 397 LYS H CE 1 ATOM 1811 N NZ A LYS B 2 77 ? -8.806 9.059 23.741 0.48 25.51 ? 397 LYS H NZ 1 ATOM 1812 N NZ B LYS B 2 77 ? -14.864 7.053 27.222 0.52 23.77 ? 397 LYS H NZ 1 ATOM 1813 H H . LYS B 2 77 ? -9.855 3.960 23.522 1.00 14.66 ? 397 LYS H H 1 ATOM 1814 H HA A LYS B 2 77 ? -10.533 5.561 25.622 0.48 16.00 ? 397 LYS H HA 1 ATOM 1815 H HA B LYS B 2 77 ? -10.640 5.655 25.509 0.52 15.42 ? 397 LYS H HA 1 ATOM 1816 H HB2 A LYS B 2 77 ? -11.940 5.345 23.168 0.48 18.37 ? 397 LYS H HB2 1 ATOM 1817 H HB2 B LYS B 2 77 ? -11.345 6.538 23.493 0.52 17.20 ? 397 LYS H HB2 1 ATOM 1818 H HB3 A LYS B 2 77 ? -12.505 6.115 24.438 0.48 18.37 ? 397 LYS H HB3 1 ATOM 1819 H HB3 B LYS B 2 77 ? -11.840 5.121 22.989 0.52 17.20 ? 397 LYS H HB3 1 ATOM 1820 H HG2 A LYS B 2 77 ? -10.113 6.926 23.209 0.48 20.54 ? 397 LYS H HG2 1 ATOM 1821 H HG2 B LYS B 2 77 ? -13.676 6.404 23.466 0.52 20.52 ? 397 LYS H HG2 1 ATOM 1822 H HG3 A LYS B 2 77 ? -11.517 7.513 22.746 0.48 20.54 ? 397 LYS H HG3 1 ATOM 1823 H HG3 B LYS B 2 77 ? -13.607 5.232 24.540 0.52 20.52 ? 397 LYS H HG3 1 ATOM 1824 H HD2 A LYS B 2 77 ? -11.845 8.429 24.850 0.48 23.96 ? 397 LYS H HD2 1 ATOM 1825 H HD2 B LYS B 2 77 ? -12.678 6.707 26.077 0.52 23.48 ? 397 LYS H HD2 1 ATOM 1826 H HD3 A LYS B 2 77 ? -10.460 7.811 25.344 0.48 23.96 ? 397 LYS H HD3 1 ATOM 1827 H HD3 B LYS B 2 77 ? -12.782 7.880 25.003 0.52 23.48 ? 397 LYS H HD3 1 ATOM 1828 H HE2 A LYS B 2 77 ? -10.660 9.744 23.293 0.48 27.73 ? 397 LYS H HE2 1 ATOM 1829 H HE2 B LYS B 2 77 ? -14.794 8.280 25.623 0.52 27.43 ? 397 LYS H HE2 1 ATOM 1830 H HE3 A LYS B 2 77 ? -10.210 10.081 24.785 0.48 27.73 ? 397 LYS H HE3 1 ATOM 1831 H HE3 B LYS B 2 77 ? -15.212 6.796 25.252 0.52 27.43 ? 397 LYS H HE3 1 ATOM 1832 H HZ1 A LYS B 2 77 ? -8.378 9.783 23.448 0.48 30.60 ? 397 LYS H HZ1 1 ATOM 1833 H HZ1 B LYS B 2 77 ? -15.710 7.241 27.422 0.52 28.51 ? 397 LYS H HZ1 1 ATOM 1834 H HZ2 A LYS B 2 77 ? -8.385 8.745 24.459 0.48 30.60 ? 397 LYS H HZ2 1 ATOM 1835 H HZ2 B LYS B 2 77 ? -14.711 6.193 27.392 0.52 28.51 ? 397 LYS H HZ2 1 ATOM 1836 H HZ3 A LYS B 2 77 ? -8.793 8.438 23.103 0.48 30.60 ? 397 LYS H HZ3 1 ATOM 1837 H HZ3 B LYS B 2 77 ? -14.329 7.548 27.731 0.52 28.51 ? 397 LYS H HZ3 1 ATOM 1838 N N . ILE B 2 78 ? -11.991 3.915 26.630 1.00 12.09 ? 398 ILE H N 1 ATOM 1839 C CA . ILE B 2 78 ? -12.711 2.886 27.335 1.00 12.21 ? 398 ILE H CA 1 ATOM 1840 C C . ILE B 2 78 ? -14.131 3.340 27.487 1.00 12.54 ? 398 ILE H C 1 ATOM 1841 O O . ILE B 2 78 ? -14.385 4.450 27.991 1.00 14.38 ? 398 ILE H O 1 ATOM 1842 C CB . ILE B 2 78 ? -12.056 2.611 28.679 1.00 13.77 ? 398 ILE H CB 1 ATOM 1843 C CG1 . ILE B 2 78 ? -10.593 2.214 28.470 1.00 15.92 ? 398 ILE H CG1 1 ATOM 1844 C CG2 . ILE B 2 78 ? -12.821 1.536 29.398 1.00 16.04 ? 398 ILE H CG2 1 ATOM 1845 C CD1 . ILE B 2 78 ? -9.836 1.900 29.741 1.00 19.37 ? 398 ILE H CD1 1 ATOM 1846 H H . ILE B 2 78 ? -11.842 4.607 27.118 1.00 14.49 ? 398 ILE H H 1 ATOM 1847 H HA . ILE B 2 78 ? -12.702 2.060 26.808 1.00 14.64 ? 398 ILE H HA 1 ATOM 1848 H HB . ILE B 2 78 ? -12.085 3.422 29.211 1.00 16.51 ? 398 ILE H HB 1 ATOM 1849 H HG12 . ILE B 2 78 ? -10.564 1.424 27.908 1.00 19.08 ? 398 ILE H HG12 1 ATOM 1850 H HG13 . ILE B 2 78 ? -10.134 2.946 28.027 1.00 19.08 ? 398 ILE H HG13 1 ATOM 1851 H HG21 . ILE B 2 78 ? -12.402 1.367 30.245 1.00 19.23 ? 398 ILE H HG21 1 ATOM 1852 H HG22 . ILE B 2 78 ? -13.724 1.832 29.532 1.00 19.23 ? 398 ILE H HG22 1 ATOM 1853 H HG23 . ILE B 2 78 ? -12.814 0.737 28.864 1.00 19.23 ? 398 ILE H HG23 1 ATOM 1854 H HD11 . ILE B 2 78 ? -8.933 1.663 29.516 1.00 23.23 ? 398 ILE H HD11 1 ATOM 1855 H HD12 . ILE B 2 78 ? -9.839 2.676 30.306 1.00 23.23 ? 398 ILE H HD12 1 ATOM 1856 H HD13 . ILE B 2 78 ? -10.266 1.167 30.188 1.00 23.23 ? 398 ILE H HD13 1 ATOM 1857 N N . SER B 2 79 ? -15.074 2.532 27.049 1.00 13.07 ? 399 SER H N 1 ATOM 1858 C CA . SER B 2 79 ? -16.476 2.900 27.076 1.00 13.75 ? 399 SER H CA 1 ATOM 1859 C C . SER B 2 79 ? -17.308 1.871 27.806 1.00 12.34 ? 399 SER H C 1 ATOM 1860 O O . SER B 2 79 ? -17.028 0.687 27.740 1.00 13.14 ? 399 SER H O 1 ATOM 1861 C CB . SER B 2 79 ? -17.025 3.004 25.650 1.00 14.47 ? 399 SER H CB 1 ATOM 1862 O OG . SER B 2 79 ? -16.341 4.001 24.926 1.00 17.19 ? 399 SER H OG 1 ATOM 1863 H H . SER B 2 79 ? -14.927 1.750 26.723 1.00 15.67 ? 399 SER H H 1 ATOM 1864 H HA . SER B 2 79 ? -16.583 3.766 27.521 1.00 16.49 ? 399 SER H HA 1 ATOM 1865 H HB2 . SER B 2 79 ? -16.908 2.152 25.203 1.00 17.35 ? 399 SER H HB2 1 ATOM 1866 H HB3 . SER B 2 79 ? -17.967 3.233 25.690 1.00 17.35 ? 399 SER H HB3 1 ATOM 1867 H HG . SER B 2 79 ? -16.641 4.050 24.164 1.00 20.61 ? 399 SER H HG 1 ATOM 1868 N N . MET B 2 80 ? -18.361 2.377 28.438 1.00 13.31 ? 400 MET H N 1 ATOM 1869 C CA A MET B 2 80 ? -19.385 1.545 29.051 0.25 14.11 ? 400 MET H CA 1 ATOM 1870 C CA B MET B 2 80 ? -19.387 1.546 29.056 0.75 13.17 ? 400 MET H CA 1 ATOM 1871 C C . MET B 2 80 ? -20.493 1.229 28.057 1.00 12.96 ? 400 MET H C 1 ATOM 1872 O O . MET B 2 80 ? -20.714 1.962 27.097 1.00 13.88 ? 400 MET H O 1 ATOM 1873 C CB A MET B 2 80 ? -19.985 2.255 30.263 0.25 16.35 ? 400 MET H CB 1 ATOM 1874 C CB B MET B 2 80 ? -20.004 2.244 30.279 0.75 14.91 ? 400 MET H CB 1 ATOM 1875 C CG A MET B 2 80 ? -18.955 2.624 31.300 0.25 18.78 ? 400 MET H CG 1 ATOM 1876 C CG B MET B 2 80 ? -19.056 2.425 31.453 0.75 18.98 ? 400 MET H CG 1 ATOM 1877 S SD A MET B 2 80 ? -18.099 1.158 31.948 0.25 21.51 ? 400 MET H SD 1 ATOM 1878 S SD B MET B 2 80 ? -19.824 3.304 32.836 0.75 22.60 ? 400 MET H SD 1 ATOM 1879 C CE A MET B 2 80 ? -16.588 1.903 32.517 0.25 23.88 ? 400 MET H CE 1 ATOM 1880 C CE B MET B 2 80 ? -19.724 4.981 32.171 0.75 24.76 ? 400 MET H CE 1 ATOM 1881 H H . MET B 2 80 ? -18.506 3.220 28.525 1.00 15.95 ? 400 MET H H 1 ATOM 1882 H HA A MET B 2 80 ? -18.978 0.707 29.357 0.25 16.92 ? 400 MET H HA 1 ATOM 1883 H HA B MET B 2 80 ? -18.979 0.708 29.358 0.75 15.78 ? 400 MET H HA 1 ATOM 1884 H HB2 A MET B 2 80 ? -20.417 3.071 29.967 0.25 19.61 ? 400 MET H HB2 1 ATOM 1885 H HB2 B MET B 2 80 ? -20.311 3.124 30.011 0.75 17.88 ? 400 MET H HB2 1 ATOM 1886 H HB3 A MET B 2 80 ? -20.634 1.669 30.682 0.25 19.61 ? 400 MET H HB3 1 ATOM 1887 H HB3 B MET B 2 80 ? -20.757 1.716 30.589 0.75 17.88 ? 400 MET H HB3 1 ATOM 1888 H HG2 A MET B 2 80 ? -18.294 3.209 30.899 0.25 22.52 ? 400 MET H HG2 1 ATOM 1889 H HG2 B MET B 2 80 ? -18.774 1.553 31.770 0.75 22.76 ? 400 MET H HG2 1 ATOM 1890 H HG3 A MET B 2 80 ? -19.394 3.072 32.040 0.25 22.52 ? 400 MET H HG3 1 ATOM 1891 H HG3 B MET B 2 80 ? -18.286 2.938 31.161 0.75 22.76 ? 400 MET H HG3 1 ATOM 1892 H HE1 A MET B 2 80 ? -16.027 1.221 32.893 0.25 28.65 ? 400 MET H HE1 1 ATOM 1893 H HE1 B MET B 2 80 ? -20.103 5.592 32.807 0.75 29.69 ? 400 MET H HE1 1 ATOM 1894 H HE2 A MET B 2 80 ? -16.146 2.317 31.772 0.25 28.65 ? 400 MET H HE2 1 ATOM 1895 H HE2 B MET B 2 80 ? -18.802 5.200 32.015 0.75 29.69 ? 400 MET H HE2 1 ATOM 1896 H HE3 A MET B 2 80 ? -16.797 2.561 33.183 0.25 28.65 ? 400 MET H HE3 1 ATOM 1897 H HE3 B MET B 2 80 ? -20.214 5.019 31.346 0.75 29.69 ? 400 MET H HE3 1 ATOM 1898 N N . LEU B 2 81 ? -21.194 0.133 28.320 1.00 13.82 ? 401 LEU H N 1 ATOM 1899 C CA A LEU B 2 81 ? -22.307 -0.326 27.497 0.48 14.55 ? 401 LEU H CA 1 ATOM 1900 C CA B LEU B 2 81 ? -22.307 -0.286 27.481 0.52 15.09 ? 401 LEU H CA 1 ATOM 1901 C C . LEU B 2 81 ? -23.640 0.150 28.072 1.00 15.27 ? 401 LEU H C 1 ATOM 1902 O O . LEU B 2 81 ? -23.913 -0.066 29.242 1.00 16.83 ? 401 LEU H O 1 ATOM 1903 C CB A LEU B 2 81 ? -22.336 -1.855 27.465 0.48 15.38 ? 401 LEU H CB 1 ATOM 1904 C CB B LEU B 2 81 ? -22.305 -1.801 27.327 0.52 16.96 ? 401 LEU H CB 1 ATOM 1905 C CG A LEU B 2 81 ? -21.306 -2.668 26.666 0.48 15.13 ? 401 LEU H CG 1 ATOM 1906 C CG B LEU B 2 81 ? -21.016 -2.392 26.759 0.52 17.89 ? 401 LEU H CG 1 ATOM 1907 C CD1 A LEU B 2 81 ? -19.866 -2.482 27.167 0.48 15.87 ? 401 LEU H CD1 1 ATOM 1908 C CD1 B LEU B 2 81 ? -21.145 -3.898 26.604 0.52 19.24 ? 401 LEU H CD1 1 ATOM 1909 C CD2 A LEU B 2 81 ? -21.695 -4.132 26.724 0.48 15.37 ? 401 LEU H CD2 1 ATOM 1910 C CD2 B LEU B 2 81 ? -20.644 -1.698 25.451 0.52 16.62 ? 401 LEU H CD2 1 ATOM 1911 H H . LEU B 2 81 ? -21.038 -0.379 28.993 1.00 16.57 ? 401 LEU H H 1 ATOM 1912 H HA A LEU B 2 81 ? -22.212 0.013 26.582 0.48 17.44 ? 401 LEU H HA 1 ATOM 1913 H HA B LEU B 2 81 ? -22.215 0.117 26.593 0.52 18.09 ? 401 LEU H HA 1 ATOM 1914 H HB2 A LEU B 2 81 ? -22.265 -2.160 28.383 0.48 18.44 ? 401 LEU H HB2 1 ATOM 1915 H HB2 B LEU B 2 81 ? -22.450 -2.200 28.199 0.52 20.34 ? 401 LEU H HB2 1 ATOM 1916 H HB3 A LEU B 2 81 ? -23.206 -2.115 27.123 0.48 18.44 ? 401 LEU H HB3 1 ATOM 1917 H HB3 B LEU B 2 81 ? -23.028 -2.051 26.731 0.52 20.34 ? 401 LEU H HB3 1 ATOM 1918 H HG A LEU B 2 81 ? -21.337 -2.388 25.738 0.48 18.14 ? 401 LEU H HG 1 ATOM 1919 H HG B LEU B 2 81 ? -20.298 -2.225 27.390 0.52 21.46 ? 401 LEU H HG 1 ATOM 1920 H HD11 A LEU B 2 81 ? -19.276 -3.014 26.628 0.48 19.03 ? 401 LEU H HD11 1 ATOM 1921 H HD11 B LEU B 2 81 ? -20.325 -4.247 26.246 0.52 23.07 ? 401 LEU H HD11 1 ATOM 1922 H HD12 A LEU B 2 81 ? -19.628 -1.554 27.096 0.48 19.03 ? 401 LEU H HD12 1 ATOM 1923 H HD12 B LEU B 2 81 ? -21.318 -4.287 27.465 0.52 23.07 ? 401 LEU H HD12 1 ATOM 1924 H HD13 A LEU B 2 81 ? -19.815 -2.763 28.084 0.48 19.03 ? 401 LEU H HD13 1 ATOM 1925 H HD13 B LEU B 2 81 ? -21.871 -4.090 26.006 0.52 23.07 ? 401 LEU H HD13 1 ATOM 1926 H HD21 A LEU B 2 81 ? -21.054 -4.645 26.226 0.48 18.43 ? 401 LEU H HD21 1 ATOM 1927 H HD21 B LEU B 2 81 ? -19.833 -2.084 25.113 0.52 19.92 ? 401 LEU H HD21 1 ATOM 1928 H HD22 A LEU B 2 81 ? -21.703 -4.418 27.640 0.48 18.43 ? 401 LEU H HD22 1 ATOM 1929 H HD22 B LEU B 2 81 ? -21.355 -1.822 24.819 0.52 19.92 ? 401 LEU H HD22 1 ATOM 1930 H HD23 A LEU B 2 81 ? -22.569 -4.238 26.340 0.48 18.43 ? 401 LEU H HD23 1 ATOM 1931 H HD23 B LEU B 2 81 ? -20.516 -0.761 25.621 0.52 19.92 ? 401 LEU H HD23 1 ATOM 1932 N N . GLU B 2 82 ? -24.473 0.754 27.231 1.00 14.93 ? 402 GLU H N 1 ATOM 1933 C CA A GLU B 2 82 ? -25.855 1.091 27.569 0.56 17.38 ? 402 GLU H CA 1 ATOM 1934 C CA B GLU B 2 82 ? -25.839 1.058 27.612 0.44 16.55 ? 402 GLU H CA 1 ATOM 1935 C C . GLU B 2 82 ? -26.741 -0.154 27.456 1.00 16.20 ? 402 GLU H C 1 ATOM 1936 O O . GLU B 2 82 ? -27.578 -0.428 28.327 1.00 18.43 ? 402 GLU H O 1 ATOM 1937 C CB A GLU B 2 82 ? -26.356 2.215 26.631 0.56 19.99 ? 402 GLU H CB 1 ATOM 1938 C CB B GLU B 2 82 ? -26.391 2.198 26.769 0.44 17.56 ? 402 GLU H CB 1 ATOM 1939 C CG A GLU B 2 82 ? -27.821 2.694 26.816 0.56 23.37 ? 402 GLU H CG 1 ATOM 1940 C CG B GLU B 2 82 ? -27.887 2.385 26.920 0.44 19.49 ? 402 GLU H CG 1 ATOM 1941 C CD A GLU B 2 82 ? -28.104 4.105 26.206 0.56 26.82 ? 402 GLU H CD 1 ATOM 1942 C CD B GLU B 2 82 ? -28.340 2.477 28.380 0.44 21.84 ? 402 GLU H CD 1 ATOM 1943 O OE1 A GLU B 2 82 ? -27.149 4.905 26.037 0.56 27.72 ? 402 GLU H OE1 1 ATOM 1944 O OE1 B GLU B 2 82 ? -27.523 2.780 29.297 0.44 24.03 ? 402 GLU H OE1 1 ATOM 1945 O OE2 A GLU B 2 82 ? -29.288 4.420 25.903 0.56 28.36 ? 402 GLU H OE2 1 ATOM 1946 O OE2 B GLU B 2 82 ? -29.547 2.246 28.617 0.44 21.93 ? 402 GLU H OE2 1 ATOM 1947 H H . GLU B 2 82 ? -24.254 0.986 26.433 1.00 17.90 ? 402 GLU H H 1 ATOM 1948 H HA A GLU B 2 82 ? -25.895 1.417 28.492 0.56 20.84 ? 402 GLU H HA 1 ATOM 1949 H HA B GLU B 2 82 ? -25.858 1.335 28.552 0.44 19.85 ? 402 GLU H HA 1 ATOM 1950 H HB2 A GLU B 2 82 ? -25.786 2.989 26.759 0.56 23.97 ? 402 GLU H HB2 1 ATOM 1951 H HB2 B GLU B 2 82 ? -25.959 3.024 27.037 0.44 21.06 ? 402 GLU H HB2 1 ATOM 1952 H HB3 A GLU B 2 82 ? -26.271 1.904 25.717 0.56 23.97 ? 402 GLU H HB3 1 ATOM 1953 H HB3 B GLU B 2 82 ? -26.206 2.016 25.835 0.44 21.06 ? 402 GLU H HB3 1 ATOM 1954 H HG2 A GLU B 2 82 ? -28.414 2.059 26.384 0.56 28.03 ? 402 GLU H HG2 1 ATOM 1955 H HG2 B GLU B 2 82 ? -28.148 3.207 26.475 0.44 23.37 ? 402 GLU H HG2 1 ATOM 1956 H HG3 A GLU B 2 82 ? -28.019 2.736 27.765 0.56 28.03 ? 402 GLU H HG3 1 ATOM 1957 H HG3 B GLU B 2 82 ? -28.341 1.631 26.513 0.44 23.37 ? 402 GLU H HG3 1 ATOM 1958 N N . LYS B 2 83 ? -26.596 -0.899 26.366 1.00 14.55 ? 403 LYS H N 1 ATOM 1959 C CA . LYS B 2 83 ? -27.500 -2.012 26.095 1.00 13.78 ? 403 LYS H CA 1 ATOM 1960 C C . LYS B 2 83 ? -26.876 -2.974 25.089 1.00 12.94 ? 403 LYS H C 1 ATOM 1961 O O . LYS B 2 83 ? -26.237 -2.552 24.127 1.00 14.12 ? 403 LYS H O 1 ATOM 1962 C CB . LYS B 2 83 ? -28.846 -1.519 25.516 1.00 15.90 ? 403 LYS H CB 1 ATOM 1963 C CG . LYS B 2 83 ? -29.963 -2.560 25.464 1.00 19.80 ? 403 LYS H CG 1 ATOM 1964 C CD . LYS B 2 83 ? -30.438 -3.029 26.825 1.00 26.55 ? 403 LYS H CD 1 ATOM 1965 C CE . LYS B 2 83 ? -31.544 -4.064 26.637 1.00 33.56 ? 403 LYS H CE 1 ATOM 1966 N NZ . LYS B 2 83 ? -31.761 -4.890 27.861 1.00 38.34 ? 403 LYS H NZ 1 ATOM 1967 H H . LYS B 2 83 ? -25.987 -0.782 25.770 1.00 17.44 ? 403 LYS H H 1 ATOM 1968 H HA . LYS B 2 83 ? -27.677 -2.500 26.925 1.00 16.53 ? 403 LYS H HA 1 ATOM 1969 H HB2 . LYS B 2 83 ? -29.161 -0.781 26.060 1.00 19.07 ? 403 LYS H HB2 1 ATOM 1970 H HB3 . LYS B 2 83 ? -28.694 -1.210 24.609 1.00 19.07 ? 403 LYS H HB3 1 ATOM 1971 H HG2 . LYS B 2 83 ? -30.725 -2.176 25.002 1.00 23.74 ? 403 LYS H HG2 1 ATOM 1972 H HG3 . LYS B 2 83 ? -29.643 -3.337 24.979 1.00 23.74 ? 403 LYS H HG3 1 ATOM 1973 H HD2 . LYS B 2 83 ? -29.703 -3.442 27.304 1.00 31.85 ? 403 LYS H HD2 1 ATOM 1974 H HD3 . LYS B 2 83 ? -30.795 -2.278 27.324 1.00 31.85 ? 403 LYS H HD3 1 ATOM 1975 H HE2 . LYS B 2 83 ? -32.374 -3.607 26.430 1.00 40.25 ? 403 LYS H HE2 1 ATOM 1976 H HE3 . LYS B 2 83 ? -31.302 -4.659 25.911 1.00 40.25 ? 403 LYS H HE3 1 ATOM 1977 H HZ1 . LYS B 2 83 ? -32.411 -5.481 27.717 1.00 46.00 ? 403 LYS H HZ1 1 ATOM 1978 H HZ2 . LYS B 2 83 ? -31.014 -5.326 28.070 1.00 46.00 ? 403 LYS H HZ2 1 ATOM 1979 H HZ3 . LYS B 2 83 ? -31.992 -4.368 28.544 1.00 46.00 ? 403 LYS H HZ3 1 ATOM 1980 N N . ILE B 2 84 ? -27.114 -4.259 25.339 1.00 12.56 ? 404 ILE H N 1 ATOM 1981 C CA . ILE B 2 84 ? -26.763 -5.360 24.449 1.00 13.14 ? 404 ILE H CA 1 ATOM 1982 C C . ILE B 2 84 ? -28.006 -5.842 23.722 1.00 12.77 ? 404 ILE H C 1 ATOM 1983 O O . ILE B 2 84 ? -29.068 -6.002 24.357 1.00 14.02 ? 404 ILE H O 1 ATOM 1984 C CB . ILE B 2 84 ? -26.212 -6.541 25.294 1.00 14.60 ? 404 ILE H CB 1 ATOM 1985 C CG1 . ILE B 2 84 ? -24.821 -6.194 25.853 1.00 16.39 ? 404 ILE H CG1 1 ATOM 1986 C CG2 . ILE B 2 84 ? -26.178 -7.830 24.478 1.00 16.02 ? 404 ILE H CG2 1 ATOM 1987 C CD1 . ILE B 2 84 ? -24.435 -7.042 27.040 1.00 18.58 ? 404 ILE H CD1 1 ATOM 1988 H H . ILE B 2 84 ? -27.499 -4.529 26.059 1.00 15.06 ? 404 ILE H H 1 ATOM 1989 H HA . ILE B 2 84 ? -26.088 -5.078 23.797 1.00 15.76 ? 404 ILE H HA 1 ATOM 1990 H HB . ILE B 2 84 ? -26.811 -6.677 26.045 1.00 17.51 ? 404 ILE H HB 1 ATOM 1991 H HG12 . ILE B 2 84 ? -24.158 -6.332 25.158 1.00 19.65 ? 404 ILE H HG12 1 ATOM 1992 H HG13 . ILE B 2 84 ? -24.817 -5.265 26.135 1.00 19.65 ? 404 ILE H HG13 1 ATOM 1993 H HG21 . ILE B 2 84 ? -25.833 -8.538 25.027 1.00 19.21 ? 404 ILE H HG21 1 ATOM 1994 H HG22 . ILE B 2 84 ? -27.069 -8.042 24.191 1.00 19.21 ? 404 ILE H HG22 1 ATOM 1995 H HG23 . ILE B 2 84 ? -25.610 -7.702 23.715 1.00 19.21 ? 404 ILE H HG23 1 ATOM 1996 H HD11 . ILE B 2 84 ? -23.562 -6.779 27.341 1.00 22.28 ? 404 ILE H HD11 1 ATOM 1997 H HD12 . ILE B 2 84 ? -25.077 -6.909 27.741 1.00 22.28 ? 404 ILE H HD12 1 ATOM 1998 H HD13 . ILE B 2 84 ? -24.426 -7.964 26.775 1.00 22.28 ? 404 ILE H HD13 1 ATOM 1999 N N . TYR B 2 85 ? -27.865 -6.097 22.420 1.00 11.15 ? 405 TYR H N 1 ATOM 2000 C CA . TYR B 2 85 ? -28.933 -6.661 21.599 1.00 11.38 ? 405 TYR H CA 1 ATOM 2001 C C . TYR B 2 85 ? -28.392 -7.889 20.894 1.00 10.94 ? 405 TYR H C 1 ATOM 2002 O O . TYR B 2 85 ? -27.423 -7.807 20.163 1.00 11.96 ? 405 TYR H O 1 ATOM 2003 C CB . TYR B 2 85 ? -29.415 -5.640 20.554 1.00 12.23 ? 405 TYR H CB 1 ATOM 2004 C CG . TYR B 2 85 ? -29.865 -4.335 21.142 1.00 13.59 ? 405 TYR H CG 1 ATOM 2005 C CD1 . TYR B 2 85 ? -28.964 -3.303 21.374 1.00 13.66 ? 405 TYR H CD1 1 ATOM 2006 C CD2 . TYR B 2 85 ? -31.183 -4.124 21.486 1.00 15.61 ? 405 TYR H CD2 1 ATOM 2007 C CE1 . TYR B 2 85 ? -29.363 -2.105 21.927 1.00 16.49 ? 405 TYR H CE1 1 ATOM 2008 C CE2 . TYR B 2 85 ? -31.580 -2.918 22.040 1.00 17.68 ? 405 TYR H CE2 1 ATOM 2009 C CZ . TYR B 2 85 ? -30.672 -1.918 22.248 1.00 18.19 ? 405 TYR H CZ 1 ATOM 2010 O OH . TYR B 2 85 ? -31.080 -0.727 22.826 1.00 22.58 ? 405 TYR H OH 1 ATOM 2011 H H . TYR B 2 85 ? -27.141 -5.947 21.981 1.00 13.36 ? 405 TYR H H 1 ATOM 2012 H HA . TYR B 2 85 ? -29.689 -6.923 22.164 1.00 13.64 ? 405 TYR H HA 1 ATOM 2013 H HB2 . TYR B 2 85 ? -28.687 -5.454 19.941 1.00 14.66 ? 405 TYR H HB2 1 ATOM 2014 H HB3 . TYR B 2 85 ? -30.164 -6.021 20.069 1.00 14.66 ? 405 TYR H HB3 1 ATOM 2015 H HD1 . TYR B 2 85 ? -28.069 -3.425 21.153 1.00 16.38 ? 405 TYR H HD1 1 ATOM 2016 H HD2 . TYR B 2 85 ? -31.810 -4.796 21.345 1.00 18.72 ? 405 TYR H HD2 1 ATOM 2017 H HE1 . TYR B 2 85 ? -28.743 -1.428 22.075 1.00 19.77 ? 405 TYR H HE1 1 ATOM 2018 H HE2 . TYR B 2 85 ? -32.472 -2.787 22.269 1.00 21.20 ? 405 TYR H HE2 1 ATOM 2019 H HH . TYR B 2 85 ? -30.913 -0.100 22.325 1.00 27.08 ? 405 TYR H HH 1 ATOM 2020 N N . ILE B 2 86 ? -28.995 -9.032 21.139 1.00 11.42 ? 406 ILE H N 1 ATOM 2021 C CA . ILE B 2 86 ? -28.606 -10.308 20.550 1.00 11.77 ? 406 ILE H CA 1 ATOM 2022 C C . ILE B 2 86 ? -29.637 -10.694 19.521 1.00 10.76 ? 406 ILE H C 1 ATOM 2023 O O . ILE B 2 86 ? -30.825 -10.538 19.750 1.00 12.52 ? 406 ILE H O 1 ATOM 2024 C CB . ILE B 2 86 ? -28.465 -11.386 21.614 1.00 13.49 ? 406 ILE H CB 1 ATOM 2025 C CG1 . ILE B 2 86 ? -27.332 -10.964 22.559 1.00 19.30 ? 406 ILE H CG1 1 ATOM 2026 C CG2 . ILE B 2 86 ? -28.138 -12.727 20.993 1.00 13.72 ? 406 ILE H CG2 1 ATOM 2027 C CD1 . ILE B 2 86 ? -27.234 -11.779 23.767 1.00 21.92 ? 406 ILE H CD1 1 ATOM 2028 H H . ILE B 2 86 ? -29.668 -9.102 21.670 1.00 13.69 ? 406 ILE H H 1 ATOM 2029 H HA . ILE B 2 86 ? -27.742 -10.207 20.098 1.00 14.11 ? 406 ILE H HA 1 ATOM 2030 H HB . ILE B 2 86 ? -29.294 -11.455 22.114 1.00 16.17 ? 406 ILE H HB 1 ATOM 2031 H HG12 . ILE B 2 86 ? -26.489 -11.035 22.086 1.00 23.15 ? 406 ILE H HG12 1 ATOM 2032 H HG13 . ILE B 2 86 ? -27.480 -10.046 22.833 1.00 23.15 ? 406 ILE H HG13 1 ATOM 2033 H HG21 . ILE B 2 86 ? -28.056 -13.382 21.690 1.00 16.44 ? 406 ILE H HG21 1 ATOM 2034 H HG22 . ILE B 2 86 ? -28.844 -12.974 20.392 1.00 16.44 ? 406 ILE H HG22 1 ATOM 2035 H HG23 . ILE B 2 86 ? -27.309 -12.654 20.513 1.00 16.44 ? 406 ILE H HG23 1 ATOM 2036 H HD11 . ILE B 2 86 ? -26.507 -11.455 24.303 1.00 26.29 ? 406 ILE H HD11 1 ATOM 2037 H HD12 . ILE B 2 86 ? -28.058 -11.712 24.256 1.00 26.29 ? 406 ILE H HD12 1 ATOM 2038 H HD13 . ILE B 2 86 ? -27.076 -12.691 23.516 1.00 26.29 ? 406 ILE H HD13 1 ATOM 2039 N N . HIS B 2 87 ? -29.219 -11.220 18.397 1.00 10.46 ? 407 HIS H N 1 ATOM 2040 C CA . HIS B 2 87 ? -30.193 -11.637 17.408 1.00 10.62 ? 407 HIS H CA 1 ATOM 2041 C C . HIS B 2 87 ? -31.185 -12.615 18.058 1.00 11.67 ? 407 HIS H C 1 ATOM 2042 O O . HIS B 2 87 ? -30.784 -13.573 18.681 1.00 11.87 ? 407 HIS H O 1 ATOM 2043 C CB . HIS B 2 87 ? -29.519 -12.310 16.206 1.00 11.10 ? 407 HIS H CB 1 ATOM 2044 C CG . HIS B 2 87 ? -30.397 -12.378 15.018 1.00 11.32 ? 407 HIS H CG 1 ATOM 2045 N ND1 . HIS B 2 87 ? -31.530 -13.155 14.987 1.00 12.18 ? 407 HIS H ND1 1 ATOM 2046 C CD2 . HIS B 2 87 ? -30.368 -11.688 13.856 1.00 12.80 ? 407 HIS H CD2 1 ATOM 2047 C CE1 . HIS B 2 87 ? -32.149 -12.972 13.831 1.00 14.56 ? 407 HIS H CE1 1 ATOM 2048 N NE2 . HIS B 2 87 ? -31.463 -12.081 13.129 1.00 13.85 ? 407 HIS H NE2 1 ATOM 2049 H H . HIS B 2 87 ? -28.397 -11.348 18.180 1.00 12.54 ? 407 HIS H H 1 ATOM 2050 H HA . HIS B 2 87 ? -30.690 -10.855 17.089 1.00 12.73 ? 407 HIS H HA 1 ATOM 2051 H HB2 . HIS B 2 87 ? -28.727 -11.805 15.964 1.00 13.30 ? 407 HIS H HB2 1 ATOM 2052 H HB3 . HIS B 2 87 ? -29.273 -13.216 16.449 1.00 13.30 ? 407 HIS H HB3 1 ATOM 2053 H HD1 . HIS B 2 87 ? -31.789 -13.684 15.614 1.00 14.60 ? 407 HIS H HD1 1 ATOM 2054 H HD2 . HIS B 2 87 ? -29.724 -11.070 13.595 1.00 15.35 ? 407 HIS H HD2 1 ATOM 2055 H HE1 . HIS B 2 87 ? -32.929 -13.398 13.557 1.00 17.46 ? 407 HIS H HE1 1 ATOM 2056 H HE2 . HIS B 2 87 ? -31.663 -11.806 12.339 1.00 16.60 ? 407 HIS H HE2 1 ATOM 2057 N N . PRO B 2 88 ? -32.492 -12.413 17.854 1.00 13.42 ? 408 PRO H N 1 ATOM 2058 C CA . PRO B 2 88 ? -33.468 -13.278 18.554 1.00 14.76 ? 408 PRO H CA 1 ATOM 2059 C C . PRO B 2 88 ? -33.451 -14.732 18.071 1.00 14.40 ? 408 PRO H C 1 ATOM 2060 O O . PRO B 2 88 ? -33.939 -15.641 18.754 1.00 17.32 ? 408 PRO H O 1 ATOM 2061 C CB . PRO B 2 88 ? -34.835 -12.604 18.256 1.00 18.25 ? 408 PRO H CB 1 ATOM 2062 C CG . PRO B 2 88 ? -34.594 -11.781 17.012 1.00 18.91 ? 408 PRO H CG 1 ATOM 2063 C CD . PRO B 2 88 ? -33.148 -11.301 17.141 1.00 15.22 ? 408 PRO H CD 1 ATOM 2064 H HA . PRO B 2 88 ? -33.304 -13.258 19.520 1.00 17.70 ? 408 PRO H HA 1 ATOM 2065 H HB2 . PRO B 2 88 ? -35.508 -13.284 18.094 1.00 21.88 ? 408 PRO H HB2 1 ATOM 2066 H HB3 . PRO B 2 88 ? -35.091 -12.036 19.000 1.00 21.88 ? 408 PRO H HB3 1 ATOM 2067 H HG2 . PRO B 2 88 ? -34.704 -12.336 16.224 1.00 22.68 ? 408 PRO H HG2 1 ATOM 2068 H HG3 . PRO B 2 88 ? -35.206 -11.029 16.992 1.00 22.68 ? 408 PRO H HG3 1 ATOM 2069 H HD2 . PRO B 2 88 ? -32.752 -11.179 16.264 1.00 18.24 ? 408 PRO H HD2 1 ATOM 2070 H HD3 . PRO B 2 88 ? -33.106 -10.488 17.669 1.00 18.24 ? 408 PRO H HD3 1 ATOM 2071 N N . ARG B 2 89 ? -32.935 -14.949 16.866 1.00 12.52 ? 409 ARG H N 1 ATOM 2072 C CA . ARG B 2 89 ? -32.829 -16.303 16.320 1.00 13.22 ? 409 ARG H CA 1 ATOM 2073 C C . ARG B 2 89 ? -31.409 -16.862 16.276 1.00 12.24 ? 409 ARG H C 1 ATOM 2074 O O . ARG B 2 89 ? -31.123 -17.809 15.559 1.00 14.15 ? 409 ARG H O 1 ATOM 2075 C CB . ARG B 2 89 ? -33.499 -16.351 14.949 1.00 15.52 ? 409 ARG H CB 1 ATOM 2076 C CG . ARG B 2 89 ? -35.000 -15.996 14.991 1.00 19.62 ? 409 ARG H CG 1 ATOM 2077 C CD . ARG B 2 89 ? -35.608 -15.944 13.619 1.00 25.84 ? 409 ARG H CD 1 ATOM 2078 N NE . ARG B 2 89 ? -35.678 -17.263 13.014 1.00 29.45 ? 409 ARG H NE 1 ATOM 2079 C CZ . ARG B 2 89 ? -35.672 -17.479 11.704 1.00 33.46 ? 409 ARG H CZ 1 ATOM 2080 N NH1 . ARG B 2 89 ? -35.740 -18.721 11.235 1.00 35.64 ? 409 ARG H NH1 1 ATOM 2081 N NH2 . ARG B 2 89 ? -35.600 -16.448 10.859 1.00 35.45 ? 409 ARG H NH2 1 ATOM 2082 H H . ARG B 2 89 ? -32.639 -14.333 16.344 1.00 15.01 ? 409 ARG H H 1 ATOM 2083 H HA . ARG B 2 89 ? -33.344 -16.898 16.905 1.00 15.84 ? 409 ARG H HA 1 ATOM 2084 H HB2 . ARG B 2 89 ? -33.059 -15.718 14.361 1.00 18.61 ? 409 ARG H HB2 1 ATOM 2085 H HB3 . ARG B 2 89 ? -33.416 -17.249 14.590 1.00 18.61 ? 409 ARG H HB3 1 ATOM 2086 H HG2 . ARG B 2 89 ? -35.472 -16.669 15.505 1.00 23.53 ? 409 ARG H HG2 1 ATOM 2087 H HG3 . ARG B 2 89 ? -35.108 -15.124 15.402 1.00 23.53 ? 409 ARG H HG3 1 ATOM 2088 H HD2 . ARG B 2 89 ? -36.509 -15.591 13.682 1.00 31.00 ? 409 ARG H HD2 1 ATOM 2089 H HD3 . ARG B 2 89 ? -35.065 -15.377 13.049 1.00 31.00 ? 409 ARG H HD3 1 ATOM 2090 H HE . ARG B 2 89 ? -35.808 -17.937 13.532 1.00 35.32 ? 409 ARG H HE 1 ATOM 2091 H HH11 . ARG B 2 89 ? -35.787 -19.385 11.780 1.00 42.76 ? 409 ARG H HH11 1 ATOM 2092 H HH12 . ARG B 2 89 ? -35.737 -18.861 10.386 1.00 42.76 ? 409 ARG H HH12 1 ATOM 2093 H HH21 . ARG B 2 89 ? -35.557 -15.645 11.163 1.00 42.52 ? 409 ARG H HH21 1 ATOM 2094 H HH22 . ARG B 2 89 ? -35.597 -16.587 10.010 1.00 42.52 ? 409 ARG H HH22 1 ATOM 2095 N N . TYR B 2 90 ? -30.554 -16.303 17.125 1.00 11.22 ? 410 TYR H N 1 ATOM 2096 C CA . TYR B 2 90 ? -29.235 -16.859 17.388 1.00 10.73 ? 410 TYR H CA 1 ATOM 2097 C C . TYR B 2 90 ? -29.376 -18.288 17.893 1.00 11.02 ? 410 TYR H C 1 ATOM 2098 O O . TYR B 2 90 ? -30.020 -18.546 18.886 1.00 13.22 ? 410 TYR H O 1 ATOM 2099 C CB . TYR B 2 90 ? -28.537 -15.966 18.409 1.00 11.20 ? 410 TYR H CB 1 ATOM 2100 C CG . TYR B 2 90 ? -27.371 -16.558 19.145 1.00 9.81 ? 410 TYR H CG 1 ATOM 2101 C CD1 . TYR B 2 90 ? -26.303 -17.151 18.475 1.00 9.51 ? 410 TYR H CD1 1 ATOM 2102 C CD2 . TYR B 2 90 ? -27.303 -16.454 20.532 1.00 10.33 ? 410 TYR H CD2 1 ATOM 2103 C CE1 . TYR B 2 90 ? -25.231 -17.622 19.169 1.00 10.11 ? 410 TYR H CE1 1 ATOM 2104 C CE2 . TYR B 2 90 ? -26.237 -16.942 21.235 1.00 10.96 ? 410 TYR H CE2 1 ATOM 2105 C CZ . TYR B 2 90 ? -25.187 -17.536 20.542 1.00 10.61 ? 410 TYR H CZ 1 ATOM 2106 O OH . TYR B 2 90 ? -24.106 -18.061 21.222 1.00 11.32 ? 410 TYR H OH 1 ATOM 2107 H H . TYR B 2 90 ? -30.720 -15.586 17.571 1.00 13.44 ? 410 TYR H H 1 ATOM 2108 H HA . TYR B 2 90 ? -28.707 -16.867 16.562 1.00 12.86 ? 410 TYR H HA 1 ATOM 2109 H HB2 . TYR B 2 90 ? -28.213 -15.176 17.948 1.00 13.43 ? 410 TYR H HB2 1 ATOM 2110 H HB3 . TYR B 2 90 ? -29.190 -15.701 19.075 1.00 13.43 ? 410 TYR H HB3 1 ATOM 2111 H HD1 . TYR B 2 90 ? -26.315 -17.211 17.547 1.00 11.40 ? 410 TYR H HD1 1 ATOM 2112 H HD2 . TYR B 2 90 ? -28.004 -16.051 20.991 1.00 12.39 ? 410 TYR H HD2 1 ATOM 2113 H HE1 . TYR B 2 90 ? -24.534 -18.035 18.712 1.00 12.12 ? 410 TYR H HE1 1 ATOM 2114 H HE2 . TYR B 2 90 ? -26.216 -16.879 22.163 1.00 13.14 ? 410 TYR H HE2 1 ATOM 2115 H HH . TYR B 2 90 ? -24.357 -18.644 21.741 1.00 13.57 ? 410 TYR H HH 1 ATOM 2116 N N . ASN B 2 91 ? -28.830 -19.233 17.153 1.00 10.00 ? 411 ASN H N 1 ATOM 2117 C CA . ASN B 2 91 ? -29.058 -20.661 17.413 1.00 10.75 ? 411 ASN H CA 1 ATOM 2118 C C . ASN B 2 91 ? -27.849 -21.265 18.131 1.00 11.61 ? 411 ASN H C 1 ATOM 2119 O O . ASN B 2 91 ? -27.061 -21.992 17.550 1.00 13.80 ? 411 ASN H O 1 ATOM 2120 C CB . ASN B 2 91 ? -29.314 -21.379 16.088 1.00 11.53 ? 411 ASN H CB 1 ATOM 2121 C CG . ASN B 2 91 ? -29.800 -22.787 16.265 1.00 13.35 ? 411 ASN H CG 1 ATOM 2122 O OD1 . ASN B 2 91 ? -29.872 -23.283 17.387 1.00 16.48 ? 411 ASN H OD1 1 ATOM 2123 N ND2 . ASN B 2 91 ? -30.152 -23.434 15.161 1.00 14.19 ? 411 ASN H ND2 1 ATOM 2124 H H . ASN B 2 91 ? -28.314 -19.081 16.481 1.00 11.98 ? 411 ASN H H 1 ATOM 2125 H HA . ASN B 2 91 ? -29.847 -20.769 17.985 1.00 12.88 ? 411 ASN H HA 1 ATOM 2126 H HB2 . ASN B 2 91 ? -29.988 -20.891 15.591 1.00 13.82 ? 411 ASN H HB2 1 ATOM 2127 H HB3 . ASN B 2 91 ? -28.487 -21.410 15.582 1.00 13.82 ? 411 ASN H HB3 1 ATOM 2128 H HD21 . ASN B 2 91 ? -30.438 -24.244 15.209 1.00 17.01 ? 411 ASN H HD21 1 ATOM 2129 H HD22 . ASN B 2 91 ? -30.095 -23.043 14.397 1.00 17.01 ? 411 ASN H HD22 1 ATOM 2130 N N . TRP B 2 92 ? -27.710 -20.935 19.408 1.00 12.62 ? 412 TRP H N 1 ATOM 2131 C CA . TRP B 2 92 ? -26.594 -21.406 20.196 1.00 14.36 ? 412 TRP H CA 1 ATOM 2132 C C . TRP B 2 92 ? -26.656 -22.888 20.491 1.00 15.13 ? 412 TRP H C 1 ATOM 2133 O O . TRP B 2 92 ? -25.628 -23.522 20.764 1.00 17.60 ? 412 TRP H O 1 ATOM 2134 C CB . TRP B 2 92 ? -26.463 -20.609 21.496 1.00 16.82 ? 412 TRP H CB 1 ATOM 2135 C CG . TRP B 2 92 ? -27.682 -20.580 22.383 1.00 21.06 ? 412 TRP H CG 1 ATOM 2136 C CD1 . TRP B 2 92 ? -28.651 -19.606 22.429 1.00 22.09 ? 412 TRP H CD1 1 ATOM 2137 C CD2 . TRP B 2 92 ? -28.041 -21.547 23.372 1.00 24.39 ? 412 TRP H CD2 1 ATOM 2138 N NE1 . TRP B 2 92 ? -29.593 -19.920 23.380 1.00 25.97 ? 412 TRP H NE1 1 ATOM 2139 C CE2 . TRP B 2 92 ? -29.239 -21.104 23.978 1.00 26.90 ? 412 TRP H CE2 1 ATOM 2140 C CE3 . TRP B 2 92 ? -27.466 -22.744 23.813 1.00 25.88 ? 412 TRP H CE3 1 ATOM 2141 C CZ2 . TRP B 2 92 ? -29.873 -21.825 24.976 1.00 29.83 ? 412 TRP H CZ2 1 ATOM 2142 C CZ3 . TRP B 2 92 ? -28.096 -23.451 24.814 1.00 29.02 ? 412 TRP H CZ3 1 ATOM 2143 C CH2 . TRP B 2 92 ? -29.284 -22.989 25.380 1.00 30.39 ? 412 TRP H CH2 1 ATOM 2144 H H . TRP B 2 92 ? -28.258 -20.433 19.841 1.00 15.13 ? 412 TRP H H 1 ATOM 2145 H HA . TRP B 2 92 ? -25.775 -21.251 19.681 1.00 17.22 ? 412 TRP H HA 1 ATOM 2146 H HB2 . TRP B 2 92 ? -25.737 -20.990 22.014 1.00 20.17 ? 412 TRP H HB2 1 ATOM 2147 H HB3 . TRP B 2 92 ? -26.249 -19.691 21.269 1.00 20.17 ? 412 TRP H HB3 1 ATOM 2148 H HD1 . TRP B 2 92 ? -28.670 -18.847 21.892 1.00 26.49 ? 412 TRP H HD1 1 ATOM 2149 H HE1 . TRP B 2 92 ? -30.289 -19.452 23.570 1.00 31.15 ? 412 TRP H HE1 1 ATOM 2150 H HE3 . TRP B 2 92 ? -26.675 -23.057 23.436 1.00 31.04 ? 412 TRP H HE3 1 ATOM 2151 H HZ2 . TRP B 2 92 ? -30.662 -21.523 25.365 1.00 35.78 ? 412 TRP H HZ2 1 ATOM 2152 H HZ3 . TRP B 2 92 ? -27.727 -24.251 25.112 1.00 34.81 ? 412 TRP H HZ3 1 ATOM 2153 H HH2 . TRP B 2 92 ? -29.687 -23.489 26.053 1.00 36.45 ? 412 TRP H HH2 1 ATOM 2154 N N . ARG B 2 93 ? -27.857 -23.447 20.447 1.00 16.93 ? 413 ARG H N 1 ATOM 2155 C CA . ARG B 2 93 ? -28.042 -24.833 20.826 1.00 19.63 ? 413 ARG H CA 1 ATOM 2156 C C . ARG B 2 93 ? -27.545 -25.788 19.772 1.00 18.52 ? 413 ARG H C 1 ATOM 2157 O O . ARG B 2 93 ? -27.318 -26.959 20.075 1.00 21.74 ? 413 ARG H O 1 ATOM 2158 C CB . ARG B 2 93 ? -29.508 -25.106 21.127 1.00 24.56 ? 413 ARG H CB 1 ATOM 2159 C CG . ARG B 2 93 ? -29.972 -24.305 22.296 1.00 31.14 ? 413 ARG H CG 1 ATOM 2160 C CD . ARG B 2 93 ? -31.393 -24.617 22.632 1.00 32.78 ? 413 ARG H CD 1 ATOM 2161 N NE . ARG B 2 93 ? -31.564 -25.967 23.156 1.00 33.03 ? 413 ARG H NE 1 ATOM 2162 C CZ . ARG B 2 93 ? -32.740 -26.462 23.516 1.00 31.11 ? 413 ARG H CZ 1 ATOM 2163 N NH1 . ARG B 2 93 ? -32.820 -27.685 23.995 1.00 30.81 ? 413 ARG H NH1 1 ATOM 2164 N NH2 . ARG B 2 93 ? -33.837 -25.725 23.388 1.00 30.01 ? 413 ARG H NH2 1 ATOM 2165 H H . ARG B 2 93 ? -28.576 -23.045 20.202 1.00 20.30 ? 413 ARG H H 1 ATOM 2166 H HA . ARG B 2 93 ? -27.533 -25.004 21.646 1.00 23.54 ? 413 ARG H HA 1 ATOM 2167 H HB2 . ARG B 2 93 ? -30.045 -24.862 20.357 1.00 29.46 ? 413 ARG H HB2 1 ATOM 2168 H HB3 . ARG B 2 93 ? -29.624 -26.046 21.335 1.00 29.46 ? 413 ARG H HB3 1 ATOM 2169 H HG2 . ARG B 2 93 ? -29.422 -24.514 23.067 1.00 37.35 ? 413 ARG H HG2 1 ATOM 2170 H HG3 . ARG B 2 93 ? -29.909 -23.360 22.083 1.00 37.35 ? 413 ARG H HG3 1 ATOM 2171 H HD2 . ARG B 2 93 ? -31.702 -23.992 23.306 1.00 39.32 ? 413 ARG H HD2 1 ATOM 2172 H HD3 . ARG B 2 93 ? -31.932 -24.535 21.830 1.00 39.32 ? 413 ARG H HD3 1 ATOM 2173 H HE . ARG B 2 93 ? -30.858 -26.404 23.381 1.00 39.62 ? 413 ARG H HE 1 ATOM 2174 H HH11 . ARG B 2 93 ? -32.110 -28.164 24.073 1.00 36.96 ? 413 ARG H HH11 1 ATOM 2175 H HH12 . ARG B 2 93 ? -33.584 -28.010 24.221 1.00 36.96 ? 413 ARG H HH12 1 ATOM 2176 H HH21 . ARG B 2 93 ? -33.784 -24.925 23.079 1.00 36.00 ? 413 ARG H HH21 1 ATOM 2177 H HH22 . ARG B 2 93 ? -34.601 -26.047 23.619 1.00 36.00 ? 413 ARG H HH22 1 ATOM 2178 N N . GLU B 2 94 ? -27.381 -25.317 18.538 1.00 17.07 ? 414 GLU H N 1 ATOM 2179 C CA . GLU B 2 94 ? -27.108 -26.217 17.430 1.00 14.79 ? 414 GLU H CA 1 ATOM 2180 C C . GLU B 2 94 ? -25.815 -25.874 16.657 1.00 14.60 ? 414 GLU H C 1 ATOM 2181 O O . GLU B 2 94 ? -24.866 -26.658 16.603 1.00 19.89 ? 414 GLU H O 1 ATOM 2182 C CB . GLU B 2 94 ? -28.301 -26.244 16.473 1.00 15.94 ? 414 GLU H CB 1 ATOM 2183 C CG . GLU B 2 94 ? -28.141 -27.246 15.366 1.00 16.39 ? 414 GLU H CG 1 ATOM 2184 C CD . GLU B 2 94 ? -29.285 -27.283 14.346 1.00 16.04 ? 414 GLU H CD 1 ATOM 2185 O OE1 . GLU B 2 94 ? -30.170 -26.386 14.348 1.00 17.15 ? 414 GLU H OE1 1 ATOM 2186 O OE2 . GLU B 2 94 ? -29.253 -28.199 13.494 1.00 15.91 ? 414 GLU H OE2 1 ATOM 2187 H H . GLU B 2 94 ? -27.422 -24.486 18.320 1.00 20.47 ? 414 GLU H H 1 ATOM 2188 H HA . GLU B 2 94 ? -27.001 -27.122 17.790 1.00 17.73 ? 414 GLU H HA 1 ATOM 2189 H HB2 . GLU B 2 94 ? -29.100 -26.474 16.972 1.00 19.11 ? 414 GLU H HB2 1 ATOM 2190 H HB3 . GLU B 2 94 ? -28.402 -25.368 16.070 1.00 19.11 ? 414 GLU H HB3 1 ATOM 2191 H HG2 . GLU B 2 94 ? -27.326 -27.043 14.883 1.00 19.66 ? 414 GLU H HG2 1 ATOM 2192 H HG3 . GLU B 2 94 ? -28.073 -28.130 15.759 1.00 19.66 ? 414 GLU H HG3 1 ATOM 2193 N N . ASN B 2 95 ? -25.767 -24.710 16.037 1.00 11.55 ? 415 ASN H N 1 ATOM 2194 C CA . ASN B 2 95 ? -24.739 -24.412 15.038 1.00 10.78 ? 415 ASN H CA 1 ATOM 2195 C C . ASN B 2 95 ? -24.230 -22.962 15.056 1.00 9.85 ? 415 ASN H C 1 ATOM 2196 O O . ASN B 2 95 ? -23.498 -22.569 14.168 1.00 10.18 ? 415 ASN H O 1 ATOM 2197 C CB . ASN B 2 95 ? -25.285 -24.748 13.616 1.00 10.28 ? 415 ASN H CB 1 ATOM 2198 C CG . ASN B 2 95 ? -26.554 -23.980 13.295 1.00 9.76 ? 415 ASN H CG 1 ATOM 2199 O OD1 . ASN B 2 95 ? -27.015 -23.181 14.112 1.00 10.81 ? 415 ASN H OD1 1 ATOM 2200 N ND2 . ASN B 2 95 ? -27.136 -24.242 12.140 1.00 11.44 ? 415 ASN H ND2 1 ATOM 2201 H H . ASN B 2 95 ? -26.320 -24.066 16.173 1.00 13.84 ? 415 ASN H H 1 ATOM 2202 H HA . ASN B 2 95 ? -23.968 -24.995 15.204 1.00 12.92 ? 415 ASN H HA 1 ATOM 2203 H HB2 . ASN B 2 95 ? -24.615 -24.513 12.954 1.00 12.32 ? 415 ASN H HB2 1 ATOM 2204 H HB3 . ASN B 2 95 ? -25.484 -25.696 13.567 1.00 12.32 ? 415 ASN H HB3 1 ATOM 2205 H HD21 . ASN B 2 95 ? -27.857 -23.829 11.919 1.00 13.71 ? 415 ASN H HD21 1 ATOM 2206 H HD22 . ASN B 2 95 ? -26.794 -24.825 11.609 1.00 13.71 ? 415 ASN H HD22 1 ATOM 2207 N N . LEU B 2 96 ? -24.609 -22.173 16.059 1.00 9.85 ? 416 LEU H N 1 ATOM 2208 C CA . LEU B 2 96 ? -24.226 -20.761 16.102 1.00 9.89 ? 416 LEU H CA 1 ATOM 2209 C C . LEU B 2 96 ? -24.760 -19.987 14.908 1.00 8.84 ? 416 LEU H C 1 ATOM 2210 O O . LEU B 2 96 ? -24.219 -18.945 14.541 1.00 9.24 ? 416 LEU H O 1 ATOM 2211 C CB . LEU B 2 96 ? -22.705 -20.593 16.267 1.00 10.41 ? 416 LEU H CB 1 ATOM 2212 C CG . LEU B 2 96 ? -22.257 -20.080 17.632 1.00 11.04 ? 416 LEU H CG 1 ATOM 2213 C CD1 . LEU B 2 96 ? -22.762 -20.882 18.786 1.00 12.05 ? 416 LEU H CD1 1 ATOM 2214 C CD2 . LEU B 2 96 ? -20.772 -19.984 17.668 1.00 10.92 ? 416 LEU H CD2 1 ATOM 2215 H H . LEU B 2 96 ? -25.088 -22.429 16.726 1.00 11.81 ? 416 LEU H H 1 ATOM 2216 H HA . LEU B 2 96 ? -24.639 -20.366 16.898 1.00 11.86 ? 416 LEU H HA 1 ATOM 2217 H HB2 . LEU B 2 96 ? -22.283 -21.454 16.125 1.00 12.47 ? 416 LEU H HB2 1 ATOM 2218 H HB3 . LEU B 2 96 ? -22.391 -19.962 15.600 1.00 12.47 ? 416 LEU H HB3 1 ATOM 2219 H HG . LEU B 2 96 ? -22.602 -19.180 17.741 1.00 13.24 ? 416 LEU H HG 1 ATOM 2220 H HD11 . LEU B 2 96 ? -22.436 -20.494 19.602 1.00 14.45 ? 416 LEU H HD11 1 ATOM 2221 H HD12 . LEU B 2 96 ? -23.722 -20.871 18.778 1.00 14.45 ? 416 LEU H HD12 1 ATOM 2222 H HD13 . LEU B 2 96 ? -22.444 -21.784 18.702 1.00 14.45 ? 416 LEU H HD13 1 ATOM 2223 H HD21 . LEU B 2 96 ? -20.501 -19.661 18.530 1.00 13.09 ? 416 LEU H HD21 1 ATOM 2224 H HD22 . LEU B 2 96 ? -20.399 -20.855 17.512 1.00 13.09 ? 416 LEU H HD22 1 ATOM 2225 H HD23 . LEU B 2 96 ? -20.482 -19.376 16.984 1.00 13.09 ? 416 LEU H HD23 1 ATOM 2226 N N . ASP B 2 97 ? -25.873 -20.422 14.319 1.00 8.89 ? 417 ASP H N 1 ATOM 2227 C CA . ASP B 2 97 ? -26.492 -19.618 13.285 1.00 8.87 ? 417 ASP H CA 1 ATOM 2228 C C . ASP B 2 97 ? -26.866 -18.256 13.851 1.00 7.65 ? 417 ASP H C 1 ATOM 2229 O O . ASP B 2 97 ? -27.378 -18.136 14.968 1.00 9.21 ? 417 ASP H O 1 ATOM 2230 C CB . ASP B 2 97 ? -27.740 -20.344 12.745 1.00 8.65 ? 417 ASP H CB 1 ATOM 2231 C CG . ASP B 2 97 ? -28.279 -19.792 11.472 1.00 9.44 ? 417 ASP H CG 1 ATOM 2232 O OD1 . ASP B 2 97 ? -27.554 -19.175 10.671 1.00 9.53 ? 417 ASP H OD1 1 ATOM 2233 O OD2 . ASP B 2 97 ? -29.471 -20.057 11.227 1.00 13.16 ? 417 ASP H OD2 1 ATOM 2234 H H . ASP B 2 97 ? -26.275 -21.160 14.498 1.00 10.65 ? 417 ASP H H 1 ATOM 2235 H HA . ASP B 2 97 ? -25.861 -19.488 12.546 1.00 10.62 ? 417 ASP H HA 1 ATOM 2236 H HB2 . ASP B 2 97 ? -27.514 -21.274 12.589 1.00 10.37 ? 417 ASP H HB2 1 ATOM 2237 H HB3 . ASP B 2 97 ? -28.443 -20.286 13.411 1.00 10.37 ? 417 ASP H HB3 1 ATOM 2238 N N . ARG B 2 98 ? -26.683 -17.242 13.025 1.00 7.45 ? 418 ARG H N 1 ATOM 2239 C CA A ARG B 2 98 ? -27.014 -15.847 13.370 0.64 7.40 ? 418 ARG H CA 1 ATOM 2240 C CA B ARG B 2 98 ? -27.017 -15.865 13.375 0.14 8.99 ? 418 ARG H CA 1 ATOM 2241 C CA C ARG B 2 98 ? -26.982 -15.845 13.354 0.22 8.10 ? 418 ARG H CA 1 ATOM 2242 C C . ARG B 2 98 ? -26.231 -15.414 14.603 1.00 7.55 ? 418 ARG H C 1 ATOM 2243 O O . ARG B 2 98 ? -26.794 -14.819 15.534 1.00 8.09 ? 418 ARG H O 1 ATOM 2244 C CB A ARG B 2 98 ? -28.527 -15.651 13.504 0.64 9.41 ? 418 ARG H CB 1 ATOM 2245 C CB B ARG B 2 98 ? -28.526 -15.714 13.590 0.14 12.28 ? 418 ARG H CB 1 ATOM 2246 C CB C ARG B 2 98 ? -28.492 -15.585 13.425 0.22 9.54 ? 418 ARG H CB 1 ATOM 2247 C CG A ARG B 2 98 ? -29.304 -16.173 12.304 0.64 13.20 ? 418 ARG H CG 1 ATOM 2248 C CG B ARG B 2 98 ? -29.371 -16.334 12.480 0.14 15.41 ? 418 ARG H CG 1 ATOM 2249 C CG C ARG B 2 98 ? -29.155 -15.746 12.062 0.22 11.27 ? 418 ARG H CG 1 ATOM 2250 C CD A ARG B 2 98 ? -30.821 -15.947 12.406 0.64 15.37 ? 418 ARG H CD 1 ATOM 2251 C CD B ARG B 2 98 ? -30.862 -16.083 12.688 0.14 17.58 ? 418 ARG H CD 1 ATOM 2252 C CD C ARG B 2 98 ? -30.561 -15.142 11.962 0.22 12.57 ? 418 ARG H CD 1 ATOM 2253 N NE A ARG B 2 98 ? -31.610 -16.770 11.461 0.64 16.51 ? 418 ARG H NE 1 ATOM 2254 N NE B ARG B 2 98 ? -31.707 -17.052 11.982 0.14 18.94 ? 418 ARG H NE 1 ATOM 2255 N NE C ARG B 2 98 ? -31.304 -15.733 10.835 0.22 16.91 ? 418 ARG H NE 1 ATOM 2256 C CZ A ARG B 2 98 ? -31.981 -18.020 11.705 0.64 16.54 ? 418 ARG H CZ 1 ATOM 2257 C CZ B ARG B 2 98 ? -32.110 -16.930 10.720 0.14 18.44 ? 418 ARG H CZ 1 ATOM 2258 C CZ C ARG B 2 98 ? -31.910 -15.071 9.849 0.22 19.85 ? 418 ARG H CZ 1 ATOM 2259 N NH1 A ARG B 2 98 ? -32.658 -18.722 10.790 0.64 19.19 ? 418 ARG H NH1 1 ATOM 2260 N NH1 B ARG B 2 98 ? -31.756 -15.882 9.996 0.14 17.91 ? 418 ARG H NH1 1 ATOM 2261 N NH1 C ARG B 2 98 ? -31.907 -13.754 9.788 0.22 20.28 ? 418 ARG H NH1 1 ATOM 2262 N NH2 A ARG B 2 98 ? -31.619 -18.597 12.844 0.64 15.67 ? 418 ARG H NH2 1 ATOM 2263 N NH2 B ARG B 2 98 ? -32.873 -17.866 10.172 0.14 20.38 ? 418 ARG H NH2 1 ATOM 2264 N NH2 C ARG B 2 98 ? -32.528 -15.754 8.900 0.22 18.85 ? 418 ARG H NH2 1 ATOM 2265 H H . ARG B 2 98 ? -26.359 -17.327 12.232 1.00 8.93 ? 418 ARG H H 1 ATOM 2266 H HA A ARG B 2 98 ? -26.718 -15.276 12.630 0.64 8.86 ? 418 ARG H HA 1 ATOM 2267 H HA B ARG B 2 98 ? -26.764 -15.281 12.630 0.14 10.78 ? 418 ARG H HA 1 ATOM 2268 H HA C ARG B 2 98 ? -26.640 -15.290 12.621 0.22 9.71 ? 418 ARG H HA 1 ATOM 2269 H HB2 A ARG B 2 98 ? -28.838 -16.124 14.291 0.64 11.28 ? 418 ARG H HB2 1 ATOM 2270 H HB2 B ARG B 2 98 ? -28.768 -16.146 14.424 0.14 14.73 ? 418 ARG H HB2 1 ATOM 2271 H HB2 C ARG B 2 98 ? -28.896 -16.220 14.036 0.22 11.44 ? 418 ARG H HB2 1 ATOM 2272 H HB3 A ARG B 2 98 ? -28.715 -14.703 13.592 0.64 11.28 ? 418 ARG H HB3 1 ATOM 2273 H HB3 B ARG B 2 98 ? -28.743 -14.769 13.635 0.14 14.73 ? 418 ARG H HB3 1 ATOM 2274 H HB3 C ARG B 2 98 ? -28.646 -14.678 13.733 0.22 11.44 ? 418 ARG H HB3 1 ATOM 2275 H HG2 A ARG B 2 98 ? -28.989 -15.721 11.506 0.64 15.83 ? 418 ARG H HG2 1 ATOM 2276 H HG2 B ARG B 2 98 ? -29.115 -15.945 11.629 0.14 18.47 ? 418 ARG H HG2 1 ATOM 2277 H HG2 C ARG B 2 98 ? -28.600 -15.312 11.394 0.22 13.51 ? 418 ARG H HG2 1 ATOM 2278 H HG3 A ARG B 2 98 ? -29.151 -17.128 12.224 0.64 15.83 ? 418 ARG H HG3 1 ATOM 2279 H HG3 B ARG B 2 98 ? -29.225 -17.293 12.467 0.14 18.47 ? 418 ARG H HG3 1 ATOM 2280 H HG3 C ARG B 2 98 ? -29.226 -16.692 11.861 0.22 13.51 ? 418 ARG H HG3 1 ATOM 2281 H HD2 A ARG B 2 98 ? -31.110 -16.168 13.305 0.64 18.42 ? 418 ARG H HD2 1 ATOM 2282 H HD2 B ARG B 2 98 ? -31.063 -16.144 13.635 0.14 21.08 ? 418 ARG H HD2 1 ATOM 2283 H HD2 C ARG B 2 98 ? -31.049 -15.325 12.780 0.22 15.07 ? 418 ARG H HD2 1 ATOM 2284 H HD3 A ARG B 2 98 ? -31.011 -15.015 12.219 0.64 18.42 ? 418 ARG H HD3 1 ATOM 2285 H HD3 B ARG B 2 98 ? -31.082 -15.198 12.358 0.14 21.08 ? 418 ARG H HD3 1 ATOM 2286 H HD3 C ARG B 2 98 ? -30.491 -14.186 11.816 0.22 15.07 ? 418 ARG H HD3 1 ATOM 2287 H HE A ARG B 2 98 ? -31.750 -16.455 10.673 0.64 19.80 ? 418 ARG H HE 1 ATOM 2288 H HE B ARG B 2 98 ? -31.960 -17.750 12.416 0.14 22.72 ? 418 ARG H HE 1 ATOM 2289 H HE C ARG B 2 98 ? -31.352 -16.591 10.811 0.22 20.28 ? 418 ARG H HE 1 ATOM 2290 H HH11 A ARG B 2 98 ? -32.892 -18.350 10.051 0.64 23.02 ? 418 ARG H HH11 1 ATOM 2291 H HH11 B ARG B 2 98 ? -31.260 -15.269 10.340 0.14 21.48 ? 418 ARG H HH11 1 ATOM 2292 H HH11 C ARG B 2 98 ? -31.506 -13.297 10.396 0.22 24.32 ? 418 ARG H HH11 1 ATOM 2293 H HH12 A ARG B 2 98 ? -32.897 -19.530 10.959 0.64 23.02 ? 418 ARG H HH12 1 ATOM 2294 H HH12 B ARG B 2 98 ? -32.021 -15.812 9.181 0.14 21.48 ? 418 ARG H HH12 1 ATOM 2295 H HH12 C ARG B 2 98 ? -32.306 -13.353 9.141 0.22 24.32 ? 418 ARG H HH12 1 ATOM 2296 H HH21 A ARG B 2 98 ? -31.170 -18.152 13.427 0.64 18.79 ? 418 ARG H HH21 1 ATOM 2297 H HH21 B ARG B 2 98 ? -33.110 -18.552 10.633 0.14 24.44 ? 418 ARG H HH21 1 ATOM 2298 H HH21 C ARG B 2 98 ? -32.540 -16.613 8.927 0.22 22.61 ? 418 ARG H HH21 1 ATOM 2299 H HH22 A ARG B 2 98 ? -31.852 -19.409 13.008 0.64 18.79 ? 418 ARG H HH22 1 ATOM 2300 H HH22 B ARG B 2 98 ? -33.134 -17.786 9.356 0.14 24.44 ? 418 ARG H HH22 1 ATOM 2301 H HH22 C ARG B 2 98 ? -32.926 -15.338 8.261 0.22 22.61 ? 418 ARG H HH22 1 ATOM 2302 N N . ASP B 2 99 ? -24.928 -15.652 14.567 1.00 7.87 ? 419 ASP H N 1 ATOM 2303 C CA . ASP B 2 99 ? -24.040 -15.346 15.659 1.00 7.86 ? 419 ASP H CA 1 ATOM 2304 C C . ASP B 2 99 ? -23.649 -13.876 15.591 1.00 7.06 ? 419 ASP H C 1 ATOM 2305 O O . ASP B 2 99 ? -22.557 -13.517 15.135 1.00 7.39 ? 419 ASP H O 1 ATOM 2306 C CB . ASP B 2 99 ? -22.828 -16.261 15.609 1.00 7.81 ? 419 ASP H CB 1 ATOM 2307 C CG . ASP B 2 99 ? -21.907 -16.104 16.797 1.00 7.71 ? 419 ASP H CG 1 ATOM 2308 O OD1 . ASP B 2 99 ? -22.343 -15.527 17.830 1.00 8.32 ? 419 ASP H OD1 1 ATOM 2309 O OD2 . ASP B 2 99 ? -20.765 -16.603 16.740 1.00 7.97 ? 419 ASP H OD2 1 ATOM 2310 H H . ASP B 2 99 ? -24.528 -16.003 13.891 1.00 9.43 ? 419 ASP H H 1 ATOM 2311 H HA . ASP B 2 99 ? -24.506 -15.500 16.507 1.00 9.42 ? 419 ASP H HA 1 ATOM 2312 H HB2 . ASP B 2 99 ? -23.130 -17.182 15.586 1.00 9.35 ? 419 ASP H HB2 1 ATOM 2313 H HB3 . ASP B 2 99 ? -22.317 -16.061 14.808 1.00 9.35 ? 419 ASP H HB3 1 ATOM 2314 N N . ILE B 2 100 ? -24.519 -13.029 16.087 1.00 7.72 ? 420 ILE H N 1 ATOM 2315 C CA . ILE B 2 100 ? -24.358 -11.595 15.946 1.00 7.91 ? 420 ILE H CA 1 ATOM 2316 C C . ILE B 2 100 ? -25.040 -10.856 17.091 1.00 7.85 ? 420 ILE H C 1 ATOM 2317 O O . ILE B 2 100 ? -26.118 -11.266 17.573 1.00 8.58 ? 420 ILE H O 1 ATOM 2318 C CB . ILE B 2 100 ? -24.894 -11.106 14.571 1.00 7.68 ? 420 ILE H CB 1 ATOM 2319 C CG1 . ILE B 2 100 ? -24.448 -9.674 14.257 1.00 9.04 ? 420 ILE H CG1 1 ATOM 2320 C CG2 . ILE B 2 100 ? -26.433 -11.245 14.441 1.00 9.02 ? 420 ILE H CG2 1 ATOM 2321 C CD1 . ILE B 2 100 ? -24.637 -9.274 12.801 1.00 11.24 ? 420 ILE H CD1 1 ATOM 2322 H H . ILE B 2 100 ? -25.227 -13.259 16.518 1.00 9.25 ? 420 ILE H H 1 ATOM 2323 H HA . ILE B 2 100 ? -23.402 -11.383 15.984 1.00 9.48 ? 420 ILE H HA 1 ATOM 2324 H HB . ILE B 2 100 ? -24.501 -11.680 13.895 1.00 9.20 ? 420 ILE H HB 1 ATOM 2325 H HG12 . ILE B 2 100 ? -24.963 -9.059 14.802 1.00 10.83 ? 420 ILE H HG12 1 ATOM 2326 H HG13 . ILE B 2 100 ? -23.505 -9.587 14.467 1.00 10.83 ? 420 ILE H HG13 1 ATOM 2327 H HG21 . ILE B 2 100 ? -26.703 -10.929 13.576 1.00 10.81 ? 420 ILE H HG21 1 ATOM 2328 H HG22 . ILE B 2 100 ? -26.672 -12.170 14.542 1.00 10.81 ? 420 ILE H HG22 1 ATOM 2329 H HG23 . ILE B 2 100 ? -26.853 -10.721 15.127 1.00 10.81 ? 420 ILE H HG23 1 ATOM 2330 H HD11 . ILE B 2 100 ? -24.336 -8.370 12.684 1.00 13.47 ? 420 ILE H HD11 1 ATOM 2331 H HD12 . ILE B 2 100 ? -24.122 -9.865 12.245 1.00 13.47 ? 420 ILE H HD12 1 ATOM 2332 H HD13 . ILE B 2 100 ? -25.568 -9.341 12.577 1.00 13.47 ? 420 ILE H HD13 1 ATOM 2333 N N . ALA B 2 101 ? -24.384 -9.799 17.551 1.00 8.30 ? 421 ALA H N 1 ATOM 2334 C CA . ALA B 2 101 ? -24.893 -8.937 18.623 1.00 8.58 ? 421 ALA H CA 1 ATOM 2335 C C . ALA B 2 101 ? -24.408 -7.534 18.395 1.00 7.83 ? 421 ALA H C 1 ATOM 2336 O O . ALA B 2 101 ? -23.356 -7.294 17.810 1.00 8.57 ? 421 ALA H O 1 ATOM 2337 C CB . ALA B 2 101 ? -24.408 -9.438 19.964 1.00 10.39 ? 421 ALA H CB 1 ATOM 2338 H H . ALA B 2 101 ? -23.618 -9.550 17.251 1.00 9.94 ? 421 ALA H H 1 ATOM 2339 H HA . ALA B 2 101 ? -25.873 -8.939 18.617 1.00 10.28 ? 421 ALA H HA 1 ATOM 2340 H HB1 . ALA B 2 101 ? -24.749 -8.864 20.654 1.00 12.46 ? 421 ALA H HB1 1 ATOM 2341 H HB2 . ALA B 2 101 ? -24.726 -10.334 20.096 1.00 12.46 ? 421 ALA H HB2 1 ATOM 2342 H HB3 . ALA B 2 101 ? -23.448 -9.427 19.973 1.00 12.46 ? 421 ALA H HB3 1 ATOM 2343 N N . LEU B 2 102 ? -25.193 -6.603 18.905 1.00 8.46 ? 422 LEU H N 1 ATOM 2344 C CA . LEU B 2 102 ? -24.861 -5.181 18.893 1.00 8.40 ? 422 LEU H CA 1 ATOM 2345 C C . LEU B 2 102 ? -24.778 -4.681 20.315 1.00 8.47 ? 422 LEU H C 1 ATOM 2346 O O . LEU B 2 102 ? -25.511 -5.140 21.199 1.00 10.33 ? 422 LEU H O 1 ATOM 2347 C CB . LEU B 2 102 ? -25.924 -4.374 18.141 1.00 9.44 ? 422 LEU H CB 1 ATOM 2348 C CG . LEU B 2 102 ? -25.891 -4.489 16.627 1.00 9.95 ? 422 LEU H CG 1 ATOM 2349 C CD1 . LEU B 2 102 ? -27.216 -4.045 16.038 1.00 11.65 ? 422 LEU H CD1 1 ATOM 2350 C CD2 . LEU B 2 102 ? -24.779 -3.623 16.085 1.00 10.88 ? 422 LEU H CD2 1 ATOM 2351 H H . LEU B 2 102 ? -25.950 -6.772 19.277 1.00 10.14 ? 422 LEU H H 1 ATOM 2352 H HA . LEU B 2 102 ? -23.993 -5.045 18.459 1.00 10.07 ? 422 LEU H HA 1 ATOM 2353 H HB2 . LEU B 2 102 ? -26.799 -4.671 18.435 1.00 11.31 ? 422 LEU H HB2 1 ATOM 2354 H HB3 . LEU B 2 102 ? -25.810 -3.436 18.362 1.00 11.31 ? 422 LEU H HB3 1 ATOM 2355 H HG . LEU B 2 102 ? -25.726 -5.410 16.369 1.00 11.93 ? 422 LEU H HG 1 ATOM 2356 H HD11 . LEU B 2 102 ? -27.175 -4.126 15.082 1.00 13.96 ? 422 LEU H HD11 1 ATOM 2357 H HD12 . LEU B 2 102 ? -27.915 -4.605 16.385 1.00 13.96 ? 422 LEU H HD12 1 ATOM 2358 H HD13 . LEU B 2 102 ? -27.375 -3.131 16.283 1.00 13.96 ? 422 LEU H HD13 1 ATOM 2359 H HD21 . LEU B 2 102 ? -24.762 -3.699 15.128 1.00 13.04 ? 422 LEU H HD21 1 ATOM 2360 H HD22 . LEU B 2 102 ? -24.942 -2.711 16.339 1.00 13.04 ? 422 LEU H HD22 1 ATOM 2361 H HD23 . LEU B 2 102 ? -23.944 -3.921 16.453 1.00 13.04 ? 422 LEU H HD23 1 ATOM 2362 N N . MET B 2 103 ? -23.899 -3.716 20.532 1.00 9.21 ? 423 MET H N 1 ATOM 2363 C CA . MET B 2 103 ? -23.782 -3.036 21.811 1.00 11.02 ? 423 MET H CA 1 ATOM 2364 C C . MET B 2 103 ? -23.827 -1.550 21.569 1.00 10.81 ? 423 MET H C 1 ATOM 2365 O O . MET B 2 103 ? -23.053 -1.009 20.781 1.00 11.95 ? 423 MET H O 1 ATOM 2366 C CB . MET B 2 103 ? -22.448 -3.446 22.499 1.00 12.42 ? 423 MET H CB 1 ATOM 2367 C CG . MET B 2 103 ? -22.309 -4.961 22.680 1.00 14.04 ? 423 MET H CG 1 ATOM 2368 S SD . MET B 2 103 ? -20.765 -5.572 23.384 1.00 15.53 ? 423 MET H SD 1 ATOM 2369 C CE . MET B 2 103 ? -19.705 -5.225 22.016 1.00 15.48 ? 423 MET H CE 1 ATOM 2370 H H . MET B 2 103 ? -23.344 -3.431 19.940 1.00 11.03 ? 423 MET H H 1 ATOM 2371 H HA . MET B 2 103 ? -24.527 -3.298 22.391 1.00 13.21 ? 423 MET H HA 1 ATOM 2372 H HB2 . MET B 2 103 ? -21.706 -3.141 21.954 1.00 14.89 ? 423 MET H HB2 1 ATOM 2373 H HB3 . MET B 2 103 ? -22.407 -3.035 23.376 1.00 14.89 ? 423 MET H HB3 1 ATOM 2374 H HG2 . MET B 2 103 ? -23.025 -5.261 23.262 1.00 16.84 ? 423 MET H HG2 1 ATOM 2375 H HG3 . MET B 2 103 ? -22.410 -5.378 21.811 1.00 16.84 ? 423 MET H HG3 1 ATOM 2376 H HE1 . MET B 2 103 ? -18.812 -5.501 22.235 1.00 18.56 ? 423 MET H HE1 1 ATOM 2377 H HE2 . MET B 2 103 ? -20.018 -5.708 21.248 1.00 18.56 ? 423 MET H HE2 1 ATOM 2378 H HE3 . MET B 2 103 ? -19.722 -4.281 21.839 1.00 18.56 ? 423 MET H HE3 1 ATOM 2379 N N . LYS B 2 104 ? -24.738 -0.883 22.248 1.00 11.46 ? 424 LYS H N 1 ATOM 2380 C CA . LYS B 2 104 ? -24.829 0.569 22.213 1.00 11.92 ? 424 LYS H CA 1 ATOM 2381 C C . LYS B 2 104 ? -24.017 1.112 23.382 1.00 12.56 ? 424 LYS H C 1 ATOM 2382 O O . LYS B 2 104 ? -24.185 0.667 24.512 1.00 13.95 ? 424 LYS H O 1 ATOM 2383 C CB . LYS B 2 104 ? -26.268 1.035 22.361 1.00 14.13 ? 424 LYS H CB 1 ATOM 2384 C CG . LYS B 2 104 ? -26.422 2.528 22.244 1.00 18.77 ? 424 LYS H CG 1 ATOM 2385 C CD . LYS B 2 104 ? -27.755 3.013 22.796 1.00 26.52 ? 424 LYS H CD 1 ATOM 2386 C CE . LYS B 2 104 ? -28.757 3.254 21.722 1.00 30.89 ? 424 LYS H CE 1 ATOM 2387 N NZ . LYS B 2 104 ? -30.008 3.778 22.346 1.00 32.36 ? 424 LYS H NZ 1 ATOM 2388 H H . LYS B 2 104 ? -25.330 -1.253 22.750 1.00 13.74 ? 424 LYS H H 1 ATOM 2389 H HA . LYS B 2 104 ? -24.460 0.914 21.373 1.00 14.29 ? 424 LYS H HA 1 ATOM 2390 H HB2 . LYS B 2 104 ? -26.805 0.624 21.665 1.00 16.94 ? 424 LYS H HB2 1 ATOM 2391 H HB3 . LYS B 2 104 ? -26.597 0.768 23.233 1.00 16.94 ? 424 LYS H HB3 1 ATOM 2392 H HG2 . LYS B 2 104 ? -25.713 2.961 22.745 1.00 22.51 ? 424 LYS H HG2 1 ATOM 2393 H HG3 . LYS B 2 104 ? -26.373 2.781 21.309 1.00 22.51 ? 424 LYS H HG3 1 ATOM 2394 H HD2 . LYS B 2 104 ? -28.113 2.340 23.397 1.00 31.81 ? 424 LYS H HD2 1 ATOM 2395 H HD3 . LYS B 2 104 ? -27.618 3.846 23.273 1.00 31.81 ? 424 LYS H HD3 1 ATOM 2396 H HE2 . LYS B 2 104 ? -28.417 3.915 21.098 1.00 37.06 ? 424 LYS H HE2 1 ATOM 2397 H HE3 . LYS B 2 104 ? -28.959 2.422 21.267 1.00 37.06 ? 424 LYS H HE3 1 ATOM 2398 H HZ1 . LYS B 2 104 ? -30.621 3.929 21.718 1.00 38.81 ? 424 LYS H HZ1 1 ATOM 2399 H HZ2 . LYS B 2 104 ? -30.329 3.185 22.927 1.00 38.81 ? 424 LYS H HZ2 1 ATOM 2400 H HZ3 . LYS B 2 104 ? -29.839 4.540 22.774 1.00 38.81 ? 424 LYS H HZ3 1 ATOM 2401 N N . LEU B 2 105 ? -23.141 2.054 23.091 1.00 11.81 ? 425 LEU H N 1 ATOM 2402 C CA . LEU B 2 105 ? -22.303 2.661 24.114 1.00 12.69 ? 425 LEU H CA 1 ATOM 2403 C C . LEU B 2 105 ? -23.062 3.735 24.879 1.00 13.65 ? 425 LEU H C 1 ATOM 2404 O O . LEU B 2 105 ? -23.992 4.357 24.363 1.00 15.06 ? 425 LEU H O 1 ATOM 2405 C CB . LEU B 2 105 ? -21.078 3.318 23.502 1.00 13.22 ? 425 LEU H CB 1 ATOM 2406 C CG . LEU B 2 105 ? -20.268 2.373 22.603 1.00 15.53 ? 425 LEU H CG 1 ATOM 2407 C CD1 . LEU B 2 105 ? -19.062 3.106 22.071 1.00 18.12 ? 425 LEU H CD1 1 ATOM 2408 C CD2 . LEU B 2 105 ? -19.856 1.101 23.337 1.00 16.65 ? 425 LEU H CD2 1 ATOM 2409 H H . LEU B 2 105 ? -23.008 2.366 22.301 1.00 14.16 ? 425 LEU H H 1 ATOM 2410 H HA . LEU B 2 105 ? -22.007 1.975 24.747 1.00 15.21 ? 425 LEU H HA 1 ATOM 2411 H HB2 . LEU B 2 105 ? -21.362 4.073 22.962 1.00 15.85 ? 425 LEU H HB2 1 ATOM 2412 H HB3 . LEU B 2 105 ? -20.495 3.623 24.215 1.00 15.85 ? 425 LEU H HB3 1 ATOM 2413 H HG . LEU B 2 105 ? -20.817 2.115 21.845 1.00 18.62 ? 425 LEU H HG 1 ATOM 2414 H HD11 . LEU B 2 105 ? -18.559 2.512 21.509 1.00 21.72 ? 425 LEU H HD11 1 ATOM 2415 H HD12 . LEU B 2 105 ? -19.358 3.866 21.563 1.00 21.72 ? 425 LEU H HD12 1 ATOM 2416 H HD13 . LEU B 2 105 ? -18.522 3.396 22.809 1.00 21.72 ? 425 LEU H HD13 1 ATOM 2417 H HD21 . LEU B 2 105 ? -19.355 0.544 22.737 1.00 19.96 ? 425 LEU H HD21 1 ATOM 2418 H HD22 . LEU B 2 105 ? -19.316 1.339 24.094 1.00 19.96 ? 425 LEU H HD22 1 ATOM 2419 H HD23 . LEU B 2 105 ? -20.646 0.641 23.629 1.00 19.96 ? 425 LEU H HD23 1 ATOM 2420 N N . LYS B 2 106 ? -22.633 3.995 26.116 1.00 14.19 ? 426 LYS H N 1 ATOM 2421 C CA . LYS B 2 106 ? -23.312 4.972 26.960 1.00 15.57 ? 426 LYS H CA 1 ATOM 2422 C C . LYS B 2 106 ? -23.094 6.389 26.492 1.00 16.04 ? 426 LYS H C 1 ATOM 2423 O O . LYS B 2 106 ? -23.859 7.260 26.899 1.00 18.20 ? 426 LYS H O 1 ATOM 2424 C CB . LYS B 2 106 ? -22.885 4.864 28.419 1.00 18.50 ? 426 LYS H CB 1 ATOM 2425 C CG . LYS B 2 106 ? -23.473 3.690 29.138 1.00 19.96 ? 426 LYS H CG 1 ATOM 2426 C CD . LYS B 2 106 ? -23.280 3.815 30.646 1.00 24.10 ? 426 LYS H CD 1 ATOM 2427 C CE . LYS B 2 106 ? -23.937 2.644 31.308 1.00 28.68 ? 426 LYS H CE 1 ATOM 2428 N NZ . LYS B 2 106 ? -23.919 2.816 32.774 1.00 32.58 ? 426 LYS H NZ 1 ATOM 2429 H H . LYS B 2 106 ? -21.954 3.619 26.486 1.00 17.01 ? 426 LYS H H 1 ATOM 2430 H HA . LYS B 2 106 ? -24.275 4.796 26.923 1.00 18.67 ? 426 LYS H HA 1 ATOM 2431 H HB2 . LYS B 2 106 ? -21.919 4.781 28.456 1.00 22.19 ? 426 LYS H HB2 1 ATOM 2432 H HB3 . LYS B 2 106 ? -23.163 5.668 28.886 1.00 22.19 ? 426 LYS H HB3 1 ATOM 2433 H HG2 . LYS B 2 106 ? -24.425 3.646 28.954 1.00 23.94 ? 426 LYS H HG2 1 ATOM 2434 H HG3 . LYS B 2 106 ? -23.034 2.878 28.840 1.00 23.94 ? 426 LYS H HG3 1 ATOM 2435 H HD2 . LYS B 2 106 ? -22.334 3.805 30.859 1.00 28.91 ? 426 LYS H HD2 1 ATOM 2436 H HD3 . LYS B 2 106 ? -23.697 4.631 30.965 1.00 28.91 ? 426 LYS H HD3 1 ATOM 2437 H HE2 . LYS B 2 106 ? -24.860 2.582 31.016 1.00 34.40 ? 426 LYS H HE2 1 ATOM 2438 H HE3 . LYS B 2 106 ? -23.455 1.833 31.086 1.00 34.40 ? 426 LYS H HE3 1 ATOM 2439 H HZ1 . LYS B 2 106 ? -24.310 2.119 33.167 1.00 39.08 ? 426 LYS H HZ1 1 ATOM 2440 H HZ2 . LYS B 2 106 ? -23.079 2.876 33.063 1.00 39.08 ? 426 LYS H HZ2 1 ATOM 2441 H HZ3 . LYS B 2 106 ? -24.356 3.557 32.999 1.00 39.08 ? 426 LYS H HZ3 1 ATOM 2442 N N . LYS B 2 107 ? -22.051 6.667 25.726 1.00 16.68 ? 427 LYS H N 1 ATOM 2443 C CA . LYS B 2 107 ? -21.856 7.976 25.097 1.00 19.05 ? 427 LYS H CA 1 ATOM 2444 C C . LYS B 2 107 ? -21.055 7.781 23.813 1.00 15.58 ? 427 LYS H C 1 ATOM 2445 O O . LYS B 2 107 ? -20.295 6.824 23.685 1.00 16.64 ? 427 LYS H O 1 ATOM 2446 C CB . LYS B 2 107 ? -21.189 8.996 26.006 1.00 27.35 ? 427 LYS H CB 1 ATOM 2447 C CG . LYS B 2 107 ? -19.825 8.701 26.495 1.00 32.22 ? 427 LYS H CG 1 ATOM 2448 C CD . LYS B 2 107 ? -19.411 9.784 27.542 1.00 36.30 ? 427 LYS H CD 1 ATOM 2449 C CE . LYS B 2 107 ? -19.630 11.203 27.007 1.00 38.97 ? 427 LYS H CE 1 ATOM 2450 N NZ . LYS B 2 107 ? -19.322 12.304 27.998 1.00 41.19 ? 427 LYS H NZ 1 ATOM 2451 H H . LYS B 2 107 ? -21.424 6.105 25.549 1.00 20.00 ? 427 LYS H H 1 ATOM 2452 H HA . LYS B 2 107 ? -22.734 8.334 24.846 1.00 22.84 ? 427 LYS H HA 1 ATOM 2453 H HB2 . LYS B 2 107 ? -21.141 9.837 25.525 1.00 32.81 ? 427 LYS H HB2 1 ATOM 2454 H HB3 . LYS B 2 107 ? -21.751 9.111 26.788 1.00 32.81 ? 427 LYS H HB3 1 ATOM 2455 H HG2 . LYS B 2 107 ? -19.812 7.831 26.925 1.00 38.65 ? 427 LYS H HG2 1 ATOM 2456 H HG3 . LYS B 2 107 ? -19.199 8.728 25.755 1.00 38.65 ? 427 LYS H HG3 1 ATOM 2457 H HD2 . LYS B 2 107 ? -19.947 9.675 28.343 1.00 43.54 ? 427 LYS H HD2 1 ATOM 2458 H HD3 . LYS B 2 107 ? -18.469 9.682 27.752 1.00 43.54 ? 427 LYS H HD3 1 ATOM 2459 H HE2 . LYS B 2 107 ? -19.059 11.335 26.235 1.00 46.75 ? 427 LYS H HE2 1 ATOM 2460 H HE3 . LYS B 2 107 ? -20.560 11.295 26.746 1.00 46.75 ? 427 LYS H HE3 1 ATOM 2461 H HZ1 . LYS B 2 107 ? -19.470 13.099 27.625 1.00 49.42 ? 427 LYS H HZ1 1 ATOM 2462 H HZ2 . LYS B 2 107 ? -19.841 12.221 28.716 1.00 49.42 ? 427 LYS H HZ2 1 ATOM 2463 H HZ3 . LYS B 2 107 ? -18.470 12.257 28.250 1.00 49.42 ? 427 LYS H HZ3 1 ATOM 2464 N N . PRO B 2 108 ? -21.268 8.649 22.826 1.00 17.21 ? 428 PRO H N 1 ATOM 2465 C CA . PRO B 2 108 ? -20.503 8.513 21.585 1.00 17.59 ? 428 PRO H CA 1 ATOM 2466 C C . PRO B 2 108 ? -19.003 8.631 21.837 1.00 17.79 ? 428 PRO H C 1 ATOM 2467 O O . PRO B 2 108 ? -18.584 9.393 22.713 1.00 19.19 ? 428 PRO H O 1 ATOM 2468 C CB . PRO B 2 108 ? -21.007 9.684 20.722 1.00 21.44 ? 428 PRO H CB 1 ATOM 2469 C CG . PRO B 2 108 ? -22.280 10.154 21.359 1.00 23.60 ? 428 PRO H CG 1 ATOM 2470 C CD . PRO B 2 108 ? -22.213 9.782 22.807 1.00 20.86 ? 428 PRO H CD 1 ATOM 2471 H HA . PRO B 2 108 ? -20.702 7.662 21.142 1.00 21.10 ? 428 PRO H HA 1 ATOM 2472 H HB2 . PRO B 2 108 ? -20.346 10.394 20.720 1.00 25.71 ? 428 PRO H HB2 1 ATOM 2473 H HB3 . PRO B 2 108 ? -21.174 9.372 19.819 1.00 25.71 ? 428 PRO H HB3 1 ATOM 2474 H HG2 . PRO B 2 108 ? -22.351 11.117 21.262 1.00 28.31 ? 428 PRO H HG2 1 ATOM 2475 H HG3 . PRO B 2 108 ? -23.033 9.716 20.933 1.00 28.31 ? 428 PRO H HG3 1 ATOM 2476 H HD2 . PRO B 2 108 ? -21.865 10.521 23.330 1.00 25.02 ? 428 PRO H HD2 1 ATOM 2477 H HD3 . PRO B 2 108 ? -23.085 9.500 23.125 1.00 25.02 ? 428 PRO H HD3 1 ATOM 2478 N N . VAL B 2 109 ? -18.213 7.862 21.087 1.00 18.07 ? 429 VAL H N 1 ATOM 2479 C CA A VAL B 2 109 ? -16.752 7.927 21.151 0.53 18.82 ? 429 VAL H CA 1 ATOM 2480 C CA B VAL B 2 109 ? -16.766 7.972 21.167 0.47 18.58 ? 429 VAL H CA 1 ATOM 2481 C C . VAL B 2 109 ? -16.266 8.942 20.118 1.00 19.30 ? 429 VAL H C 1 ATOM 2482 O O . VAL B 2 109 ? -16.794 9.015 19.010 1.00 20.54 ? 429 VAL H O 1 ATOM 2483 C CB A VAL B 2 109 ? -16.102 6.512 20.919 0.53 19.28 ? 429 VAL H CB 1 ATOM 2484 C CB B VAL B 2 109 ? -16.077 6.603 21.027 0.47 18.36 ? 429 VAL H CB 1 ATOM 2485 C CG1 A VAL B 2 109 ? -16.202 6.097 19.473 0.53 19.28 ? 429 VAL H CG1 1 ATOM 2486 C CG1 B VAL B 2 109 ? -16.568 5.700 22.114 0.47 18.03 ? 429 VAL H CG1 1 ATOM 2487 C CG2 A VAL B 2 109 ? -14.634 6.457 21.372 0.53 19.37 ? 429 VAL H CG2 1 ATOM 2488 C CG2 B VAL B 2 109 ? -16.358 5.972 19.677 0.47 17.45 ? 429 VAL H CG2 1 ATOM 2489 H H . VAL B 2 109 ? -18.506 7.283 20.522 1.00 21.67 ? 429 VAL H H 1 ATOM 2490 H HA A VAL B 2 109 ? -16.483 8.243 22.039 0.53 22.57 ? 429 VAL H HA 1 ATOM 2491 H HA B VAL B 2 109 ? -16.528 8.336 22.046 0.47 22.29 ? 429 VAL H HA 1 ATOM 2492 H HB A VAL B 2 109 ? -16.598 5.853 21.449 0.53 23.12 ? 429 VAL H HB 1 ATOM 2493 H HB B VAL B 2 109 ? -15.108 6.712 21.126 0.47 22.02 ? 429 VAL H HB 1 ATOM 2494 H HG11 A VAL B 2 109 ? -15.797 5.232 19.368 0.53 23.12 ? 429 VAL H HG11 1 ATOM 2495 H HG11 B VAL B 2 109 ? -16.138 4.846 22.027 0.47 21.63 ? 429 VAL H HG11 1 ATOM 2496 H HG12 A VAL B 2 109 ? -17.128 6.058 19.223 0.53 23.12 ? 429 VAL H HG12 1 ATOM 2497 H HG12 B VAL B 2 109 ? -16.354 6.090 22.964 0.47 21.63 ? 429 VAL H HG12 1 ATOM 2498 H HG13 A VAL B 2 109 ? -15.742 6.742 18.931 0.53 23.12 ? 429 VAL H HG13 1 ATOM 2499 H HG13 B VAL B 2 109 ? -17.519 5.599 22.030 0.47 21.63 ? 429 VAL H HG13 1 ATOM 2500 H HG21 A VAL B 2 109 ? -14.290 5.576 21.208 0.53 23.23 ? 429 VAL H HG21 1 ATOM 2501 H HG21 B VAL B 2 109 ? -15.912 5.124 19.631 0.47 20.93 ? 429 VAL H HG21 1 ATOM 2502 H HG22 A VAL B 2 109 ? -14.129 7.104 20.874 0.53 23.23 ? 429 VAL H HG22 1 ATOM 2503 H HG22 B VAL B 2 109 ? -17.305 5.851 19.580 0.47 20.93 ? 429 VAL H HG22 1 ATOM 2504 H HG23 A VAL B 2 109 ? -14.589 6.657 22.310 0.53 23.23 ? 429 VAL H HG23 1 ATOM 2505 H HG23 B VAL B 2 109 ? -16.030 6.553 18.987 0.47 20.93 ? 429 VAL H HG23 1 ATOM 2506 N N . ALA B 2 110 ? -15.261 9.726 20.481 1.00 21.17 ? 430 ALA H N 1 ATOM 2507 C CA . ALA B 2 110 ? -14.639 10.621 19.528 1.00 19.50 ? 430 ALA H CA 1 ATOM 2508 C C . ALA B 2 110 ? -13.720 9.841 18.609 1.00 16.95 ? 430 ALA H C 1 ATOM 2509 O O . ALA B 2 110 ? -12.931 8.999 19.064 1.00 18.18 ? 430 ALA H O 1 ATOM 2510 C CB . ALA B 2 110 ? -13.842 11.712 20.280 1.00 22.60 ? 430 ALA H CB 1 ATOM 2511 H H . ALA B 2 110 ? -14.923 9.757 21.271 1.00 25.38 ? 430 ALA H H 1 ATOM 2512 H HA . ALA B 2 110 ? -15.330 11.056 18.985 1.00 23.39 ? 430 ALA H HA 1 ATOM 2513 H HB1 . ALA B 2 110 ? -13.434 12.299 19.638 1.00 27.10 ? 430 ALA H HB1 1 ATOM 2514 H HB2 . ALA B 2 110 ? -14.443 12.207 20.841 1.00 27.10 ? 430 ALA H HB2 1 ATOM 2515 H HB3 . ALA B 2 110 ? -13.165 11.291 20.815 1.00 27.10 ? 430 ALA H HB3 1 ATOM 2516 N N . PHE B 2 111 ? -13.820 10.105 17.310 1.00 16.89 ? 431 PHE H N 1 ATOM 2517 C CA . PHE B 2 111 ? -12.909 9.474 16.366 1.00 15.01 ? 431 PHE H CA 1 ATOM 2518 C C . PHE B 2 111 ? -11.540 10.149 16.454 1.00 15.56 ? 431 PHE H C 1 ATOM 2519 O O . PHE B 2 111 ? -11.406 11.300 16.915 1.00 18.21 ? 431 PHE H O 1 ATOM 2520 C CB . PHE B 2 111 ? -13.453 9.537 14.924 1.00 16.60 ? 431 PHE H CB 1 ATOM 2521 C CG . PHE B 2 111 ? -14.802 8.867 14.731 1.00 15.55 ? 431 PHE H CG 1 ATOM 2522 C CD1 . PHE B 2 111 ? -15.231 7.858 15.580 1.00 15.56 ? 431 PHE H CD1 1 ATOM 2523 C CD2 . PHE B 2 111 ? -15.614 9.197 13.655 1.00 19.03 ? 431 PHE H CD2 1 ATOM 2524 C CE1 . PHE B 2 111 ? -16.480 7.245 15.394 1.00 15.82 ? 431 PHE H CE1 1 ATOM 2525 C CE2 . PHE B 2 111 ? -16.856 8.578 13.459 1.00 18.33 ? 431 PHE H CE2 1 ATOM 2526 C CZ . PHE B 2 111 ? -17.282 7.612 14.344 1.00 16.29 ? 431 PHE H CZ 1 ATOM 2527 H H . PHE B 2 111 ? -14.397 10.636 16.957 1.00 20.26 ? 431 PHE H H 1 ATOM 2528 H HA . PHE B 2 111 ? -12.800 8.531 16.608 1.00 18.00 ? 431 PHE H HA 1 ATOM 2529 H HB2 . PHE B 2 111 ? -13.548 10.468 14.668 1.00 19.91 ? 431 PHE H HB2 1 ATOM 2530 H HB3 . PHE B 2 111 ? -12.820 9.099 14.334 1.00 19.91 ? 431 PHE H HB3 1 ATOM 2531 H HD1 . PHE B 2 111 ? -14.705 7.616 16.308 1.00 18.66 ? 431 PHE H HD1 1 ATOM 2532 H HD2 . PHE B 2 111 ? -15.341 9.864 13.067 1.00 22.82 ? 431 PHE H HD2 1 ATOM 2533 H HE1 . PHE B 2 111 ? -16.763 6.583 15.983 1.00 18.97 ? 431 PHE H HE1 1 ATOM 2534 H HE2 . PHE B 2 111 ? -17.396 8.829 12.744 1.00 21.98 ? 431 PHE H HE2 1 ATOM 2535 H HZ . PHE B 2 111 ? -18.100 7.190 14.213 1.00 19.53 ? 431 PHE H HZ 1 ATOM 2536 N N . SER B 2 112 ? -10.522 9.417 16.037 1.00 14.26 ? 432 SER H N 1 ATOM 2537 C CA . SER B 2 112 ? -9.148 9.910 16.096 1.00 13.98 ? 432 SER H CA 1 ATOM 2538 C C . SER B 2 112 ? -8.358 9.170 15.024 1.00 14.21 ? 432 SER H C 1 ATOM 2539 O O . SER B 2 112 ? -8.916 8.410 14.240 1.00 14.31 ? 432 SER H O 1 ATOM 2540 C CB . SER B 2 112 ? -8.549 9.626 17.473 1.00 15.21 ? 432 SER H CB 1 ATOM 2541 O OG . SER B 2 112 ? -8.326 8.236 17.596 1.00 14.31 ? 432 SER H OG 1 ATOM 2542 H H . SER B 2 112 ? -10.596 8.624 15.712 1.00 17.09 ? 432 SER H H 1 ATOM 2543 H HA . SER B 2 112 ? -9.119 10.874 15.918 1.00 16.76 ? 432 SER H HA 1 ATOM 2544 H HB2 . SER B 2 112 ? -7.705 10.096 17.560 1.00 18.24 ? 432 SER H HB2 1 ATOM 2545 H HB3 . SER B 2 112 ? -9.169 9.915 18.160 1.00 18.24 ? 432 SER H HB3 1 ATOM 2546 H HG . SER B 2 112 ? -8.004 8.068 18.331 1.00 17.16 ? 432 SER H HG 1 ATOM 2547 N N . ASP B 2 113 ? -7.047 9.319 15.022 1.00 15.16 ? 433 ASP H N 1 ATOM 2548 C CA . ASP B 2 113 ? -6.204 8.572 14.106 1.00 15.65 ? 433 ASP H CA 1 ATOM 2549 C C . ASP B 2 113 ? -6.281 7.071 14.360 1.00 13.97 ? 433 ASP H C 1 ATOM 2550 O O . ASP B 2 113 ? -5.994 6.279 13.473 1.00 14.35 ? 433 ASP H O 1 ATOM 2551 C CB . ASP B 2 113 ? -4.739 9.018 14.189 1.00 17.77 ? 433 ASP H CB 1 ATOM 2552 C CG . ASP B 2 113 ? -4.487 10.365 13.525 1.00 21.56 ? 433 ASP H CG 1 ATOM 2553 O OD1 . ASP B 2 113 ? -5.342 10.870 12.769 1.00 22.63 ? 433 ASP H OD1 1 ATOM 2554 O OD2 . ASP B 2 113 ? -3.390 10.896 13.730 1.00 24.71 ? 433 ASP H OD2 1 ATOM 2555 H H . ASP B 2 113 ? -6.617 9.850 15.544 1.00 18.18 ? 433 ASP H H 1 ATOM 2556 H HA . ASP B 2 113 ? -6.514 8.736 13.191 1.00 18.77 ? 433 ASP H HA 1 ATOM 2557 H HB2 . ASP B 2 113 ? -4.484 9.092 15.122 1.00 21.31 ? 433 ASP H HB2 1 ATOM 2558 H HB3 . ASP B 2 113 ? -4.184 8.358 13.745 1.00 21.31 ? 433 ASP H HB3 1 ATOM 2559 N N . TYR B 2 114 ? -6.691 6.698 15.569 1.00 13.06 ? 434 TYR H N 1 ATOM 2560 C CA . TYR B 2 114 ? -6.668 5.317 16.030 1.00 11.60 ? 434 TYR H CA 1 ATOM 2561 C C . TYR B 2 114 ? -8.057 4.705 16.168 1.00 11.57 ? 434 TYR H C 1 ATOM 2562 O O . TYR B 2 114 ? -8.174 3.512 16.441 1.00 10.55 ? 434 TYR H O 1 ATOM 2563 C CB . TYR B 2 114 ? -5.951 5.243 17.384 1.00 14.80 ? 434 TYR H CB 1 ATOM 2564 C CG . TYR B 2 114 ? -4.628 5.954 17.326 1.00 17.34 ? 434 TYR H CG 1 ATOM 2565 C CD1 . TYR B 2 114 ? -3.519 5.365 16.751 1.00 19.90 ? 434 TYR H CD1 1 ATOM 2566 C CD2 . TYR B 2 114 ? -4.515 7.272 17.762 1.00 21.77 ? 434 TYR H CD2 1 ATOM 2567 C CE1 . TYR B 2 114 ? -2.308 6.051 16.651 1.00 22.43 ? 434 TYR H CE1 1 ATOM 2568 C CE2 . TYR B 2 114 ? -3.310 7.961 17.674 1.00 24.91 ? 434 TYR H CE2 1 ATOM 2569 C CZ . TYR B 2 114 ? -2.233 7.344 17.111 1.00 26.09 ? 434 TYR H CZ 1 ATOM 2570 O OH . TYR B 2 114 ? -1.060 8.054 17.025 1.00 30.66 ? 434 TYR H OH 1 ATOM 2571 H H . TYR B 2 114 ? -6.996 7.247 16.156 1.00 15.65 ? 434 TYR H H 1 ATOM 2572 H HA . TYR B 2 114 ? -6.161 4.776 15.390 1.00 13.91 ? 434 TYR H HA 1 ATOM 2573 H HB2 . TYR B 2 114 ? -6.498 5.669 18.062 1.00 17.74 ? 434 TYR H HB2 1 ATOM 2574 H HB3 . TYR B 2 114 ? -5.790 4.315 17.613 1.00 17.74 ? 434 TYR H HB3 1 ATOM 2575 H HD1 . TYR B 2 114 ? -3.578 4.493 16.434 1.00 23.87 ? 434 TYR H HD1 1 ATOM 2576 H HD2 . TYR B 2 114 ? -5.254 7.693 18.139 1.00 26.10 ? 434 TYR H HD2 1 ATOM 2577 H HE1 . TYR B 2 114 ? -1.564 5.641 16.273 1.00 26.90 ? 434 TYR H HE1 1 ATOM 2578 H HE2 . TYR B 2 114 ? -3.245 8.837 17.978 1.00 29.87 ? 434 TYR H HE2 1 ATOM 2579 H HH . TYR B 2 114 ? -0.812 8.278 17.774 1.00 36.78 ? 434 TYR H HH 1 ATOM 2580 N N . ILE B 2 115 ? -9.084 5.537 16.020 1.00 11.01 ? 435 ILE H N 1 ATOM 2581 C CA . ILE B 2 115 ? -10.476 5.164 16.282 1.00 10.75 ? 435 ILE H CA 1 ATOM 2582 C C . ILE B 2 115 ? -11.327 5.666 15.136 1.00 10.63 ? 435 ILE H C 1 ATOM 2583 O O . ILE B 2 115 ? -11.440 6.878 14.921 1.00 12.06 ? 435 ILE H O 1 ATOM 2584 C CB . ILE B 2 115 ? -10.979 5.770 17.608 1.00 11.07 ? 435 ILE H CB 1 ATOM 2585 C CG1 . ILE B 2 115 ? -10.159 5.238 18.793 1.00 11.92 ? 435 ILE H CG1 1 ATOM 2586 C CG2 . ILE B 2 115 ? -12.471 5.494 17.786 1.00 11.31 ? 435 ILE H CG2 1 ATOM 2587 C CD1 . ILE B 2 115 ? -10.538 5.840 20.147 1.00 13.06 ? 435 ILE H CD1 1 ATOM 2588 H H . ILE B 2 115 ? -8.998 6.353 15.760 1.00 13.20 ? 435 ILE H H 1 ATOM 2589 H HA . ILE B 2 115 ? -10.555 4.188 16.330 1.00 12.89 ? 435 ILE H HA 1 ATOM 2590 H HB . ILE B 2 115 ? -10.854 6.731 17.564 1.00 13.27 ? 435 ILE H HB 1 ATOM 2591 H HG12 . ILE B 2 115 ? -10.285 4.278 18.852 1.00 14.29 ? 435 ILE H HG12 1 ATOM 2592 H HG13 . ILE B 2 115 ? -9.222 5.436 18.636 1.00 14.29 ? 435 ILE H HG13 1 ATOM 2593 H HG21 . ILE B 2 115 ? -12.763 5.880 18.616 1.00 13.56 ? 435 ILE H HG21 1 ATOM 2594 H HG22 . ILE B 2 115 ? -12.951 5.890 17.054 1.00 13.56 ? 435 ILE H HG22 1 ATOM 2595 H HG23 . ILE B 2 115 ? -12.615 4.545 17.797 1.00 13.56 ? 435 ILE H HG23 1 ATOM 2596 H HD11 . ILE B 2 115 ? -9.981 5.455 20.827 1.00 15.66 ? 435 ILE H HD11 1 ATOM 2597 H HD12 . ILE B 2 115 ? -10.407 6.791 20.114 1.00 15.66 ? 435 ILE H HD12 1 ATOM 2598 H HD13 . ILE B 2 115 ? -11.460 5.643 20.328 1.00 15.66 ? 435 ILE H HD13 1 ATOM 2599 N N . HIS B 2 116 ? -11.895 4.741 14.360 1.00 9.84 ? 436 HIS H N 1 ATOM 2600 C CA . HIS B 2 116 ? -12.632 5.118 13.176 1.00 9.84 ? 436 HIS H CA 1 ATOM 2601 C C . HIS B 2 116 ? -13.493 3.947 12.758 1.00 8.29 ? 436 HIS H C 1 ATOM 2602 O O . HIS B 2 116 ? -13.038 2.809 12.842 1.00 9.50 ? 436 HIS H O 1 ATOM 2603 C CB . HIS B 2 116 ? -11.659 5.462 12.049 1.00 10.95 ? 436 HIS H CB 1 ATOM 2604 C CG . HIS B 2 116 ? -12.297 6.215 10.939 1.00 13.91 ? 436 HIS H CG 1 ATOM 2605 N ND1 . HIS B 2 116 ? -12.447 7.584 10.968 1.00 17.05 ? 436 HIS H ND1 1 ATOM 2606 C CD2 . HIS B 2 116 ? -12.883 5.791 9.797 1.00 15.91 ? 436 HIS H CD2 1 ATOM 2607 C CE1 . HIS B 2 116 ? -13.086 7.973 9.884 1.00 18.66 ? 436 HIS H CE1 1 ATOM 2608 N NE2 . HIS B 2 116 ? -13.346 6.908 9.149 1.00 16.29 ? 436 HIS H NE2 1 ATOM 2609 H H . HIS B 2 116 ? -11.864 3.894 14.504 1.00 11.79 ? 436 HIS H H 1 ATOM 2610 H HA . HIS B 2 116 ? -13.203 5.893 13.361 1.00 11.80 ? 436 HIS H HA 1 ATOM 2611 H HB2 . HIS B 2 116 ? -10.942 6.008 12.407 1.00 13.13 ? 436 HIS H HB2 1 ATOM 2612 H HB3 . HIS B 2 116 ? -11.297 4.639 11.683 1.00 13.13 ? 436 HIS H HB3 1 ATOM 2613 H HD1 . HIS B 2 116 ? -12.174 8.102 11.598 1.00 20.44 ? 436 HIS H HD1 1 ATOM 2614 H HD2 . HIS B 2 116 ? -12.943 4.912 9.497 1.00 19.08 ? 436 HIS H HD2 1 ATOM 2615 H HE1 . HIS B 2 116 ? -13.292 8.851 9.660 1.00 22.38 ? 436 HIS H HE1 1 ATOM 2616 H HE2 . HIS B 2 116 ? -13.753 6.913 8.392 1.00 19.54 ? 436 HIS H HE2 1 ATOM 2617 N N . PRO B 2 117 ? -14.740 4.194 12.320 1.00 8.37 ? 437 PRO H N 1 ATOM 2618 C CA . PRO B 2 117 ? -15.651 3.076 12.028 1.00 8.82 ? 437 PRO H CA 1 ATOM 2619 C C . PRO B 2 117 ? -15.394 2.412 10.689 1.00 7.77 ? 437 PRO H C 1 ATOM 2620 O O . PRO B 2 117 ? -14.932 3.051 9.750 1.00 8.96 ? 437 PRO H O 1 ATOM 2621 C CB . PRO B 2 117 ? -17.035 3.722 12.040 1.00 10.17 ? 437 PRO H CB 1 ATOM 2622 C CG . PRO B 2 117 ? -16.743 5.147 11.571 1.00 12.66 ? 437 PRO H CG 1 ATOM 2623 C CD . PRO B 2 117 ? -15.433 5.487 12.242 1.00 10.85 ? 437 PRO H CD 1 ATOM 2624 H HA . PRO B 2 117 ? -15.602 2.402 12.739 1.00 10.57 ? 437 PRO H HA 1 ATOM 2625 H HB2 . PRO B 2 117 ? -17.623 3.263 11.420 1.00 12.19 ? 437 PRO H HB2 1 ATOM 2626 H HB3 . PRO B 2 117 ? -17.398 3.717 12.939 1.00 12.19 ? 437 PRO H HB3 1 ATOM 2627 H HG2 . PRO B 2 117 ? -16.653 5.166 10.605 1.00 15.18 ? 437 PRO H HG2 1 ATOM 2628 H HG3 . PRO B 2 117 ? -17.449 5.744 11.867 1.00 15.18 ? 437 PRO H HG3 1 ATOM 2629 H HD2 . PRO B 2 117 ? -14.926 6.109 11.697 1.00 13.01 ? 437 PRO H HD2 1 ATOM 2630 H HD3 . PRO B 2 117 ? -15.590 5.840 13.131 1.00 13.01 ? 437 PRO H HD3 1 ATOM 2631 N N . VAL B 2 118 ? -15.749 1.140 10.631 1.00 7.47 ? 438 VAL H N 1 ATOM 2632 C CA . VAL B 2 118 ? -15.709 0.350 9.400 1.00 6.86 ? 438 VAL H CA 1 ATOM 2633 C C . VAL B 2 118 ? -17.053 0.471 8.694 1.00 7.49 ? 438 VAL H C 1 ATOM 2634 O O . VAL B 2 118 ? -18.055 0.733 9.346 1.00 9.13 ? 438 VAL H O 1 ATOM 2635 C CB . VAL B 2 118 ? -15.376 -1.128 9.733 1.00 7.44 ? 438 VAL H CB 1 ATOM 2636 C CG1 . VAL B 2 118 ? -16.515 -1.855 10.435 1.00 8.26 ? 438 VAL H CG1 1 ATOM 2637 C CG2 . VAL B 2 118 ? -14.917 -1.891 8.489 1.00 7.78 ? 438 VAL H CG2 1 ATOM 2638 H H . VAL B 2 118 ? -16.026 0.693 11.312 1.00 8.95 ? 438 VAL H H 1 ATOM 2639 H HA . VAL B 2 118 ? -15.013 0.701 8.807 1.00 8.22 ? 438 VAL H HA 1 ATOM 2640 H HB . VAL B 2 118 ? -14.620 -1.128 10.356 1.00 8.92 ? 438 VAL H HB 1 ATOM 2641 H HG11 . VAL B 2 118 ? -16.246 -2.759 10.611 1.00 9.90 ? 438 VAL H HG11 1 ATOM 2642 H HG12 . VAL B 2 118 ? -16.712 -1.404 11.259 1.00 9.90 ? 438 VAL H HG12 1 ATOM 2643 H HG13 . VAL B 2 118 ? -17.288 -1.848 9.865 1.00 9.90 ? 438 VAL H HG13 1 ATOM 2644 H HG21 . VAL B 2 118 ? -14.721 -2.798 8.734 1.00 9.32 ? 438 VAL H HG21 1 ATOM 2645 H HG22 . VAL B 2 118 ? -15.619 -1.873 7.835 1.00 9.32 ? 438 VAL H HG22 1 ATOM 2646 H HG23 . VAL B 2 118 ? -14.130 -1.469 8.137 1.00 9.32 ? 438 VAL H HG23 1 ATOM 2647 N N . CYS B 2 119 ? -17.099 0.286 7.381 1.00 7.36 ? 439 CYS H N 1 ATOM 2648 C CA . CYS B 2 119 ? -18.370 0.283 6.687 1.00 7.40 ? 439 CYS H CA 1 ATOM 2649 C C . CYS B 2 119 ? -19.011 -1.092 6.746 1.00 7.14 ? 439 CYS H C 1 ATOM 2650 O O . CYS B 2 119 ? -18.332 -2.110 6.827 1.00 7.83 ? 439 CYS H O 1 ATOM 2651 C CB . CYS B 2 119 ? -18.156 0.597 5.217 1.00 8.76 ? 439 CYS H CB 1 ATOM 2652 S SG . CYS B 2 119 ? -17.363 2.157 4.829 1.00 10.70 ? 439 CYS H SG 1 ATOM 2653 H H . CYS B 2 119 ? -16.415 0.161 6.876 1.00 8.82 ? 439 CYS H H 1 ATOM 2654 H HA . CYS B 2 119 ? -18.978 0.945 7.079 1.00 8.87 ? 439 CYS H HA 1 ATOM 2655 H HB2 . CYS B 2 119 ? -17.608 -0.106 4.835 1.00 10.49 ? 439 CYS H HB2 1 ATOM 2656 H HB3 . CYS B 2 119 ? -19.022 0.600 4.780 1.00 10.49 ? 439 CYS H HB3 1 ATOM 2657 N N . LEU B 2 120 ? -20.329 -1.125 6.636 1.00 7.60 ? 440 LEU H N 1 ATOM 2658 C CA . LEU B 2 120 ? -21.063 -2.374 6.450 1.00 7.84 ? 440 LEU H CA 1 ATOM 2659 C C . LEU B 2 120 ? -21.476 -2.474 4.994 1.00 7.89 ? 440 LEU H C 1 ATOM 2660 O O . LEU B 2 120 ? -21.872 -1.492 4.384 1.00 9.18 ? 440 LEU H O 1 ATOM 2661 C CB . LEU B 2 120 ? -22.290 -2.417 7.339 1.00 9.85 ? 440 LEU H CB 1 ATOM 2662 C CG . LEU B 2 120 ? -22.002 -2.380 8.839 1.00 11.81 ? 440 LEU H CG 1 ATOM 2663 C CD1 . LEU B 2 120 ? -23.288 -2.652 9.552 1.00 17.84 ? 440 LEU H CD1 1 ATOM 2664 C CD2 . LEU B 2 120 ? -20.899 -3.407 9.248 1.00 15.30 ? 440 LEU H CD2 1 ATOM 2665 H H . LEU B 2 120 ? -20.833 -0.429 6.666 1.00 9.11 ? 440 LEU H H 1 ATOM 2666 H HA . LEU B 2 120 ? -20.486 -3.135 6.669 1.00 9.39 ? 440 LEU H HA 1 ATOM 2667 H HB2 . LEU B 2 120 ? -22.850 -1.653 7.129 1.00 11.81 ? 440 LEU H HB2 1 ATOM 2668 H HB3 . LEU B 2 120 ? -22.776 -3.237 7.155 1.00 11.81 ? 440 LEU H HB3 1 ATOM 2669 H HG . LEU B 2 120 ? -21.699 -1.492 9.085 1.00 14.15 ? 440 LEU H HG 1 ATOM 2670 H HD11 . LEU B 2 120 ? -23.130 -2.633 10.499 1.00 21.40 ? 440 LEU H HD11 1 ATOM 2671 H HD12 . LEU B 2 120 ? -23.927 -1.976 9.313 1.00 21.40 ? 440 LEU H HD12 1 ATOM 2672 H HD13 . LEU B 2 120 ? -23.612 -3.517 9.291 1.00 21.40 ? 440 LEU H HD13 1 ATOM 2673 H HD21 . LEU B 2 120 ? -20.753 -3.347 10.195 1.00 18.34 ? 440 LEU H HD21 1 ATOM 2674 H HD22 . LEU B 2 120 ? -21.195 -4.291 9.018 1.00 18.34 ? 440 LEU H HD22 1 ATOM 2675 H HD23 . LEU B 2 120 ? -20.088 -3.199 8.778 1.00 18.34 ? 440 LEU H HD23 1 ATOM 2676 N N . PRO B 2 121 ? -21.374 -3.672 4.412 1.00 8.34 ? 441 PRO H N 1 ATOM 2677 C CA . PRO B 2 121 ? -21.640 -3.817 2.985 1.00 8.32 ? 441 PRO H CA 1 ATOM 2678 C C . PRO B 2 121 ? -23.093 -3.629 2.588 1.00 9.97 ? 441 PRO H C 1 ATOM 2679 O O . PRO B 2 121 ? -23.996 -4.016 3.297 1.00 11.09 ? 441 PRO H O 1 ATOM 2680 C CB . PRO B 2 121 ? -21.178 -5.259 2.710 1.00 10.59 ? 441 PRO H CB 1 ATOM 2681 C CG . PRO B 2 121 ? -21.379 -5.962 4.017 1.00 10.53 ? 441 PRO H CG 1 ATOM 2682 C CD . PRO B 2 121 ? -20.995 -4.953 5.043 1.00 9.06 ? 441 PRO H CD 1 ATOM 2683 H HA . PRO B 2 121 ? -21.082 -3.196 2.472 1.00 9.97 ? 441 PRO H HA 1 ATOM 2684 H HB2 . PRO B 2 121 ? -21.728 -5.655 2.015 1.00 12.69 ? 441 PRO H HB2 1 ATOM 2685 H HB3 . PRO B 2 121 ? -20.242 -5.262 2.455 1.00 12.69 ? 441 PRO H HB3 1 ATOM 2686 H HG2 . PRO B 2 121 ? -22.310 -6.216 4.114 1.00 12.62 ? 441 PRO H HG2 1 ATOM 2687 H HG3 . PRO B 2 121 ? -20.802 -6.740 4.065 1.00 12.62 ? 441 PRO H HG3 1 ATOM 2688 H HD2 . PRO B 2 121 ? -21.500 -5.091 5.860 1.00 10.86 ? 441 PRO H HD2 1 ATOM 2689 H HD3 . PRO B 2 121 ? -20.039 -4.981 5.205 1.00 10.86 ? 441 PRO H HD3 1 ATOM 2690 N N . ASP B 2 122 ? -23.292 -3.024 1.422 1.00 10.82 ? 442 ASP H N 1 ATOM 2691 C CA . ASP B 2 122 ? -24.536 -3.052 0.707 1.00 12.37 ? 442 ASP H CA 1 ATOM 2692 C C . ASP B 2 122 ? -24.622 -4.367 -0.065 1.00 11.85 ? 442 ASP H C 1 ATOM 2693 O O . ASP B 2 122 ? -23.637 -5.107 -0.188 1.00 11.89 ? 442 ASP H O 1 ATOM 2694 C CB . ASP B 2 122 ? -24.586 -1.850 -0.275 1.00 14.77 ? 442 ASP H CB 1 ATOM 2695 C CG . ASP B 2 122 ? -23.398 -1.873 -1.255 1.00 17.54 ? 442 ASP H CG 1 ATOM 2696 O OD1 . ASP B 2 122 ? -23.579 -2.310 -2.389 1.00 19.36 ? 442 ASP H OD1 1 ATOM 2697 O OD2 . ASP B 2 122 ? -22.252 -1.494 -0.880 1.00 18.00 ? 442 ASP H OD2 1 ATOM 2698 H H . ASP B 2 122 ? -22.683 -2.573 1.016 1.00 12.97 ? 442 ASP H H 1 ATOM 2699 H HA . ASP B 2 122 ? -25.289 -2.992 1.331 1.00 14.83 ? 442 ASP H HA 1 ATOM 2700 H HB2 . ASP B 2 122 ? -25.406 -1.891 -0.790 1.00 17.71 ? 442 ASP H HB2 1 ATOM 2701 H HB3 . ASP B 2 122 ? -24.547 -1.023 0.230 1.00 17.71 ? 442 ASP H HB3 1 ATOM 2702 N N . ARG B 2 123 ? -25.789 -4.643 -0.622 1.00 11.74 ? 443 ARG H N 1 ATOM 2703 C CA . ARG B 2 123 ? -26.039 -5.897 -1.304 1.00 11.98 ? 443 ARG H CA 1 ATOM 2704 C C . ARG B 2 123 ? -25.058 -6.156 -2.438 1.00 11.03 ? 443 ARG H C 1 ATOM 2705 O O . ARG B 2 123 ? -24.539 -7.255 -2.561 1.00 11.17 ? 443 ARG H O 1 ATOM 2706 C CB . ARG B 2 123 ? -27.476 -5.911 -1.816 1.00 14.25 ? 443 ARG H CB 1 ATOM 2707 C CG . ARG B 2 123 ? -27.910 -7.180 -2.500 1.00 17.93 ? 443 ARG H CG 1 ATOM 2708 C CD . ARG B 2 123 ? -29.352 -7.065 -3.017 1.00 20.88 ? 443 ARG H CD 1 ATOM 2709 N NE . ARG B 2 123 ? -29.483 -5.887 -3.854 1.00 24.78 ? 443 ARG H NE 1 ATOM 2710 C CZ . ARG B 2 123 ? -29.054 -5.840 -5.106 1.00 32.86 ? 443 ARG H CZ 1 ATOM 2711 N NH1 . ARG B 2 123 ? -29.170 -4.719 -5.805 1.00 34.49 ? 443 ARG H NH1 1 ATOM 2712 N NH2 . ARG B 2 123 ? -28.514 -6.928 -5.661 1.00 36.22 ? 443 ARG H NH2 1 ATOM 2713 H H . ARG B 2 123 ? -26.463 -4.109 -0.619 1.00 14.08 ? 443 ARG H H 1 ATOM 2714 H HA . ARG B 2 123 ? -25.947 -6.629 -0.658 1.00 14.36 ? 443 ARG H HA 1 ATOM 2715 H HB2 . ARG B 2 123 ? -28.071 -5.768 -1.063 1.00 17.08 ? 443 ARG H HB2 1 ATOM 2716 H HB3 . ARG B 2 123 ? -27.582 -5.187 -2.453 1.00 17.08 ? 443 ARG H HB3 1 ATOM 2717 H HG2 . ARG B 2 123 ? -27.328 -7.353 -3.256 1.00 21.50 ? 443 ARG H HG2 1 ATOM 2718 H HG3 . ARG B 2 123 ? -27.870 -7.915 -1.868 1.00 21.50 ? 443 ARG H HG3 1 ATOM 2719 H HD2 . ARG B 2 123 ? -29.571 -7.847 -3.547 1.00 25.04 ? 443 ARG H HD2 1 ATOM 2720 H HD3 . ARG B 2 123 ? -29.961 -6.980 -2.267 1.00 25.04 ? 443 ARG H HD3 1 ATOM 2721 H HE . ARG B 2 123 ? -29.701 -5.147 -3.475 1.00 29.72 ? 443 ARG H HE 1 ATOM 2722 H HH11 . ARG B 2 123 ? -29.528 -4.024 -5.447 1.00 41.38 ? 443 ARG H HH11 1 ATOM 2723 H HH12 . ARG B 2 123 ? -28.909 -4.694 -6.624 1.00 41.38 ? 443 ARG H HH12 1 ATOM 2724 H HH21 . ARG B 2 123 ? -28.432 -7.650 -5.201 1.00 43.45 ? 443 ARG H HH21 1 ATOM 2725 H HH22 . ARG B 2 123 ? -28.240 -6.904 -6.476 1.00 43.45 ? 443 ARG H HH22 1 ATOM 2726 N N . GLU B 2 124 ? -24.813 -5.166 -3.293 1.00 11.32 ? 444 GLU H N 1 ATOM 2727 C CA . GLU B 2 124 ? -23.937 -5.405 -4.449 1.00 12.30 ? 444 GLU H CA 1 ATOM 2728 C C . GLU B 2 124 ? -22.475 -5.546 -4.056 1.00 10.88 ? 444 GLU H C 1 ATOM 2729 O O . GLU B 2 124 ? -21.763 -6.351 -4.633 1.00 12.11 ? 444 GLU H O 1 ATOM 2730 C CB . GLU B 2 124 ? -24.115 -4.308 -5.485 1.00 17.43 ? 444 GLU H CB 1 ATOM 2731 C CG . GLU B 2 124 ? -25.449 -4.348 -6.171 1.00 24.63 ? 444 GLU H CG 1 ATOM 2732 C CD . GLU B 2 124 ? -25.752 -5.606 -7.024 1.00 29.25 ? 444 GLU H CD 1 ATOM 2733 O OE1 . GLU B 2 124 ? -26.890 -5.672 -7.493 1.00 34.90 ? 444 GLU H OE1 1 ATOM 2734 O OE2 . GLU B 2 124 ? -24.914 -6.513 -7.245 1.00 28.16 ? 444 GLU H OE2 1 ATOM 2735 H H . GLU B 2 124 ? -25.129 -4.369 -3.235 1.00 13.56 ? 444 GLU H H 1 ATOM 2736 H HA . GLU B 2 124 ? -24.207 -6.248 -4.870 1.00 14.74 ? 444 GLU H HA 1 ATOM 2737 H HB2 . GLU B 2 124 ? -24.030 -3.447 -5.047 1.00 20.90 ? 444 GLU H HB2 1 ATOM 2738 H HB3 . GLU B 2 124 ? -23.428 -4.402 -6.163 1.00 20.90 ? 444 GLU H HB3 1 ATOM 2739 H HG2 . GLU B 2 124 ? -26.141 -4.286 -5.494 1.00 29.54 ? 444 GLU H HG2 1 ATOM 2740 H HG3 . GLU B 2 124 ? -25.509 -3.580 -6.761 1.00 29.54 ? 444 GLU H HG3 1 ATOM 2741 N N . THR B 2 125 ? -22.020 -4.796 -3.062 1.00 11.30 ? 445 THR H N 1 ATOM 2742 C CA . THR B 2 125 ? -20.668 -4.978 -2.574 1.00 10.80 ? 445 THR H CA 1 ATOM 2743 C C . THR B 2 125 ? -20.509 -6.394 -2.040 1.00 10.16 ? 445 THR H C 1 ATOM 2744 O O . THR B 2 125 ? -19.521 -7.058 -2.310 1.00 10.45 ? 445 THR H O 1 ATOM 2745 C CB . THR B 2 125 ? -20.309 -3.913 -1.519 1.00 13.23 ? 445 THR H CB 1 ATOM 2746 O OG1 . THR B 2 125 ? -20.297 -2.632 -2.157 1.00 14.64 ? 445 THR H OG1 1 ATOM 2747 C CG2 . THR B 2 125 ? -18.933 -4.173 -0.938 1.00 13.56 ? 445 THR H CG2 1 ATOM 2748 H H . THR B 2 125 ? -22.470 -4.183 -2.660 1.00 13.54 ? 445 THR H H 1 ATOM 2749 H HA . THR B 2 125 ? -20.047 -4.873 -3.325 1.00 12.94 ? 445 THR H HA 1 ATOM 2750 H HB . THR B 2 125 ? -20.963 -3.921 -0.802 1.00 15.86 ? 445 THR H HB 1 ATOM 2751 H HG1 . THR B 2 125 ? -20.108 -2.049 -1.612 1.00 17.56 ? 445 THR H HG1 1 ATOM 2752 H HG21 . THR B 2 125 ? -18.722 -3.504 -0.283 1.00 16.25 ? 445 THR H HG21 1 ATOM 2753 H HG22 . THR B 2 125 ? -18.912 -5.037 -0.519 1.00 16.25 ? 445 THR H HG22 1 ATOM 2754 H HG23 . THR B 2 125 ? -18.273 -4.148 -1.634 1.00 16.25 ? 445 THR H HG23 1 ATOM 2755 N N . ALA B 2 126 ? -21.495 -6.878 -1.293 1.00 10.04 ? 446 ALA H N 1 ATOM 2756 C CA . ALA B 2 126 ? -21.409 -8.249 -0.794 1.00 9.34 ? 446 ALA H CA 1 ATOM 2757 C C . ALA B 2 126 ? -21.400 -9.264 -1.935 1.00 9.66 ? 446 ALA H C 1 ATOM 2758 O O . ALA B 2 126 ? -20.631 -10.219 -1.933 1.00 10.90 ? 446 ALA H O 1 ATOM 2759 C CB . ALA B 2 126 ? -22.548 -8.551 0.180 1.00 10.85 ? 446 ALA H CB 1 ATOM 2760 H H . ALA B 2 126 ? -22.206 -6.450 -1.066 1.00 12.04 ? 446 ALA H H 1 ATOM 2761 H HA . ALA B 2 126 ? -20.567 -8.349 -0.303 1.00 11.19 ? 446 ALA H HA 1 ATOM 2762 H HB1 . ALA B 2 126 ? -22.462 -9.456 0.489 1.00 13.01 ? 446 ALA H HB1 1 ATOM 2763 H HB2 . ALA B 2 126 ? -22.492 -7.945 0.922 1.00 13.01 ? 446 ALA H HB2 1 ATOM 2764 H HB3 . ALA B 2 126 ? -23.385 -8.437 -0.274 1.00 13.01 ? 446 ALA H HB3 1 ATOM 2765 N N . ALA B 2 127 ? -22.286 -9.076 -2.908 1.00 9.47 ? 447 ALA H N 1 ATOM 2766 C CA . ALA B 2 127 ? -22.360 -10.023 -4.012 1.00 10.92 ? 447 ALA H CA 1 ATOM 2767 C C . ALA B 2 127 ? -21.039 -10.065 -4.775 1.00 10.00 ? 447 ALA H C 1 ATOM 2768 O O . ALA B 2 127 ? -20.572 -11.129 -5.227 1.00 11.46 ? 447 ALA H O 1 ATOM 2769 C CB . ALA B 2 127 ? -23.519 -9.663 -4.962 1.00 12.03 ? 447 ALA H CB 1 ATOM 2770 H H . ALA B 2 127 ? -22.843 -8.423 -2.953 1.00 11.34 ? 447 ALA H H 1 ATOM 2771 H HA . ALA B 2 127 ? -22.531 -10.919 -3.652 1.00 13.09 ? 447 ALA H HA 1 ATOM 2772 H HB1 . ALA B 2 127 ? -23.544 -10.302 -5.679 1.00 14.42 ? 447 ALA H HB1 1 ATOM 2773 H HB2 . ALA B 2 127 ? -24.344 -9.687 -4.472 1.00 14.42 ? 447 ALA H HB2 1 ATOM 2774 H HB3 . ALA B 2 127 ? -23.372 -8.782 -5.314 1.00 14.42 ? 447 ALA H HB3 1 ATOM 2775 N N . SER B 2 128 ? -20.463 -8.892 -4.993 1.00 9.80 ? 448 SER H N 1 ATOM 2776 C CA A SER B 2 128 ? -19.242 -8.765 -5.796 0.79 9.95 ? 448 SER H CA 1 ATOM 2777 C CA B SER B 2 128 ? -19.261 -8.790 -5.783 0.21 10.59 ? 448 SER H CA 1 ATOM 2778 C C . SER B 2 128 ? -18.020 -9.306 -5.063 1.00 9.97 ? 448 SER H C 1 ATOM 2779 O O . SER B 2 128 ? -17.165 -9.936 -5.683 1.00 11.36 ? 448 SER H O 1 ATOM 2780 C CB A SER B 2 128 ? -18.986 -7.310 -6.184 0.79 11.97 ? 448 SER H CB 1 ATOM 2781 C CB B SER B 2 128 ? -19.032 -7.347 -6.172 0.21 12.32 ? 448 SER H CB 1 ATOM 2782 O OG A SER B 2 128 ? -19.909 -6.896 -7.171 0.79 16.72 ? 448 SER H OG 1 ATOM 2783 O OG B SER B 2 128 ? -17.897 -7.268 -6.985 0.21 14.02 ? 448 SER H OG 1 ATOM 2784 H H . SER B 2 128 ? -20.758 -8.144 -4.686 1.00 11.75 ? 448 SER H H 1 ATOM 2785 H HA A SER B 2 128 ? -19.351 -9.281 -6.622 0.79 11.92 ? 448 SER H HA 1 ATOM 2786 H HA B SER B 2 128 ? -19.373 -9.312 -6.604 0.21 12.70 ? 448 SER H HA 1 ATOM 2787 H HB2 A SER B 2 128 ? -19.088 -6.749 -5.399 0.79 14.35 ? 448 SER H HB2 1 ATOM 2788 H HB2 B SER B 2 128 ? -19.803 -7.021 -6.662 0.21 14.77 ? 448 SER H HB2 1 ATOM 2789 H HB3 A SER B 2 128 ? -18.086 -7.229 -6.537 0.79 14.35 ? 448 SER H HB3 1 ATOM 2790 H HB3 B SER B 2 128 ? -18.892 -6.817 -5.372 0.21 14.77 ? 448 SER H HB3 1 ATOM 2791 H HG A SER B 2 128 ? -20.416 -7.513 -7.357 0.79 20.05 ? 448 SER H HG 1 ATOM 2792 H HG B SER B 2 128 ? -17.763 -6.489 -7.203 0.21 16.81 ? 448 SER H HG 1 ATOM 2793 N N . LEU B 2 129 ? -17.894 -9.011 -3.771 1.00 9.18 ? 449 LEU H N 1 ATOM 2794 C CA . LEU B 2 129 ? -16.648 -9.289 -3.062 1.00 9.33 ? 449 LEU H CA 1 ATOM 2795 C C . LEU B 2 129 ? -16.626 -10.599 -2.336 1.00 9.08 ? 449 LEU H C 1 ATOM 2796 O O . LEU B 2 129 ? -15.554 -11.180 -2.158 1.00 8.99 ? 449 LEU H O 1 ATOM 2797 C CB . LEU B 2 129 ? -16.317 -8.143 -2.112 1.00 10.51 ? 449 LEU H CB 1 ATOM 2798 C CG . LEU B 2 129 ? -16.143 -6.774 -2.766 1.00 13.62 ? 449 LEU H CG 1 ATOM 2799 C CD1 . LEU B 2 129 ? -15.643 -5.802 -1.738 1.00 17.07 ? 449 LEU H CD1 1 ATOM 2800 C CD2 . LEU B 2 129 ? -15.248 -6.827 -4.017 1.00 15.12 ? 449 LEU H CD2 1 ATOM 2801 H H . LEU B 2 129 ? -18.508 -8.653 -3.286 1.00 11.00 ? 449 LEU H H 1 ATOM 2802 H HA . LEU B 2 129 ? -15.928 -9.323 -3.726 1.00 11.18 ? 449 LEU H HA 1 ATOM 2803 H HB2 . LEU B 2 129 ? -17.035 -8.066 -1.463 1.00 12.59 ? 449 LEU H HB2 1 ATOM 2804 H HB3 . LEU B 2 129 ? -15.489 -8.354 -1.654 1.00 12.59 ? 449 LEU H HB3 1 ATOM 2805 H HG . LEU B 2 129 ? -17.016 -6.463 -3.053 1.00 16.33 ? 449 LEU H HG 1 ATOM 2806 H HD11 . LEU B 2 129 ? -15.534 -4.941 -2.149 1.00 20.47 ? 449 LEU H HD11 1 ATOM 2807 H HD12 . LEU B 2 129 ? -16.283 -5.745 -1.025 1.00 20.47 ? 449 LEU H HD12 1 ATOM 2808 H HD13 . LEU B 2 129 ? -14.801 -6.112 -1.399 1.00 20.47 ? 449 LEU H HD13 1 ATOM 2809 H HD21 . LEU B 2 129 ? -15.174 -5.944 -4.386 1.00 18.13 ? 449 LEU H HD21 1 ATOM 2810 H HD22 . LEU B 2 129 ? -14.380 -7.152 -3.766 1.00 18.13 ? 449 LEU H HD22 1 ATOM 2811 H HD23 . LEU B 2 129 ? -15.646 -7.418 -4.661 1.00 18.13 ? 449 LEU H HD23 1 ATOM 2812 N N . LEU B 2 130 ? -17.774 -11.067 -1.883 1.00 10.43 ? 450 LEU H N 1 ATOM 2813 C CA . LEU B 2 130 ? -17.762 -12.282 -1.086 1.00 13.33 ? 450 LEU H CA 1 ATOM 2814 C C . LEU B 2 130 ? -17.847 -13.478 -2.039 1.00 13.48 ? 450 LEU H C 1 ATOM 2815 O O . LEU B 2 130 ? -18.888 -14.077 -2.206 1.00 17.49 ? 450 LEU H O 1 ATOM 2816 C CB . LEU B 2 130 ? -18.882 -12.231 0.007 1.00 16.78 ? 450 LEU H CB 1 ATOM 2817 C CG . LEU B 2 130 ? -18.592 -12.987 1.295 1.00 19.84 ? 450 LEU H CG 1 ATOM 2818 C CD1 . LEU B 2 130 ? -17.478 -12.436 2.038 1.00 18.25 ? 450 LEU H CD1 1 ATOM 2819 C CD2 . LEU B 2 130 ? -19.809 -12.927 2.143 1.00 23.02 ? 450 LEU H CD2 1 ATOM 2820 H H . LEU B 2 130 ? -18.549 -10.717 -2.015 1.00 12.51 ? 450 LEU H H 1 ATOM 2821 H HA . LEU B 2 130 ? -16.902 -12.339 -0.620 1.00 15.98 ? 450 LEU H HA 1 ATOM 2822 H HB2 . LEU B 2 130 ? -19.034 -11.303 0.244 1.00 20.13 ? 450 LEU H HB2 1 ATOM 2823 H HB3 . LEU B 2 130 ? -19.693 -12.605 -0.371 1.00 20.13 ? 450 LEU H HB3 1 ATOM 2824 H HG . LEU B 2 130 ? -18.401 -13.916 1.093 1.00 23.79 ? 450 LEU H HG 1 ATOM 2825 H HD11 . LEU B 2 130 ? -17.348 -12.955 2.835 1.00 21.88 ? 450 LEU H HD11 1 ATOM 2826 H HD12 . LEU B 2 130 ? -16.690 -12.473 1.491 1.00 21.88 ? 450 LEU H HD12 1 ATOM 2827 H HD13 . LEU B 2 130 ? -17.675 -11.525 2.267 1.00 21.88 ? 450 LEU H HD13 1 ATOM 2828 H HD21 . LEU B 2 130 ? -19.643 -13.400 2.961 1.00 27.61 ? 450 LEU H HD21 1 ATOM 2829 H HD22 . LEU B 2 130 ? -20.014 -12.008 2.331 1.00 27.61 ? 450 LEU H HD22 1 ATOM 2830 H HD23 . LEU B 2 130 ? -20.538 -13.336 1.671 1.00 27.61 ? 450 LEU H HD23 1 ATOM 2831 N N . GLN B 2 131 ? -16.727 -13.774 -2.713 1.00 11.23 ? 451 GLN H N 1 ATOM 2832 C CA . GLN B 2 131 ? -16.605 -14.852 -3.678 1.00 12.16 ? 451 GLN H CA 1 ATOM 2833 C C . GLN B 2 131 ? -15.345 -15.643 -3.388 1.00 11.16 ? 451 GLN H C 1 ATOM 2834 O O . GLN B 2 131 ? -14.320 -15.099 -2.942 1.00 9.91 ? 451 GLN H O 1 ATOM 2835 C CB . GLN B 2 131 ? -16.533 -14.293 -5.092 1.00 14.68 ? 451 GLN H CB 1 ATOM 2836 C CG . GLN B 2 131 ? -17.742 -13.493 -5.529 1.00 17.15 ? 451 GLN H CG 1 ATOM 2837 C CD . GLN B 2 131 ? -17.747 -13.289 -7.022 1.00 20.37 ? 451 GLN H CD 1 ATOM 2838 O OE1 . GLN B 2 131 ? -17.842 -14.248 -7.790 1.00 23.58 ? 451 GLN H OE1 1 ATOM 2839 N NE2 . GLN B 2 131 ? -17.624 -12.044 -7.446 1.00 21.70 ? 451 GLN H NE2 1 ATOM 2840 H H . GLN B 2 131 ? -15.994 -13.335 -2.615 1.00 13.46 ? 451 GLN H H 1 ATOM 2841 H HA . GLN B 2 131 ? -17.379 -15.449 -3.611 1.00 14.57 ? 451 GLN H HA 1 ATOM 2842 H HB2 . GLN B 2 131 ? -15.759 -13.712 -5.154 1.00 17.60 ? 451 GLN H HB2 1 ATOM 2843 H HB3 . GLN B 2 131 ? -16.433 -15.034 -5.711 1.00 17.60 ? 451 GLN H HB3 1 ATOM 2844 H HG2 . GLN B 2 131 ? -18.550 -13.971 -5.284 1.00 20.57 ? 451 GLN H HG2 1 ATOM 2845 H HG3 . GLN B 2 131 ? -17.723 -12.622 -5.102 1.00 20.57 ? 451 GLN H HG3 1 ATOM 2846 H HE21 . GLN B 2 131 ? -17.621 -11.875 -8.289 1.00 26.02 ? 451 GLN H HE21 1 ATOM 2847 H HE22 . GLN B 2 131 ? -17.547 -11.402 -6.878 1.00 26.02 ? 451 GLN H HE22 1 ATOM 2848 N N . ALA B 2 132 ? -15.424 -16.953 -3.601 1.00 11.24 ? 452 ALA H N 1 ATOM 2849 C CA . ALA B 2 132 ? -14.325 -17.840 -3.306 1.00 11.26 ? 452 ALA H CA 1 ATOM 2850 C C . ALA B 2 132 ? -13.065 -17.434 -4.034 1.00 10.06 ? 452 ALA H C 1 ATOM 2851 O O . ALA B 2 132 ? -13.088 -17.137 -5.228 1.00 12.70 ? 452 ALA H O 1 ATOM 2852 C CB . ALA B 2 132 ? -14.694 -19.268 -3.667 1.00 13.68 ? 452 ALA H CB 1 ATOM 2853 H H . ALA B 2 132 ? -16.117 -17.350 -3.921 1.00 13.47 ? 452 ALA H H 1 ATOM 2854 H HA . ALA B 2 132 ? -14.141 -17.809 -2.344 1.00 13.50 ? 452 ALA H HA 1 ATOM 2855 H HB1 . ALA B 2 132 ? -13.952 -19.843 -3.464 1.00 16.40 ? 452 ALA H HB1 1 ATOM 2856 H HB2 . ALA B 2 132 ? -15.462 -19.531 -3.154 1.00 16.40 ? 452 ALA H HB2 1 ATOM 2857 H HB3 . ALA B 2 132 ? -14.895 -19.311 -4.604 1.00 16.40 ? 452 ALA H HB3 1 ATOM 2858 N N . GLY B 2 133 ? -11.965 -17.408 -3.297 1.00 8.81 ? 453 GLY H N 1 ATOM 2859 C CA . GLY B 2 133 ? -10.672 -17.019 -3.837 1.00 9.82 ? 453 GLY H CA 1 ATOM 2860 C C . GLY B 2 133 ? -10.298 -15.571 -3.591 1.00 8.36 ? 453 GLY H C 1 ATOM 2861 O O . GLY B 2 133 ? -9.129 -15.211 -3.627 1.00 10.75 ? 453 GLY H O 1 ATOM 2862 H H . GLY B 2 133 ? -11.941 -17.616 -2.462 1.00 10.56 ? 453 GLY H H 1 ATOM 2863 H HA2 . GLY B 2 133 ? -9.984 -17.578 -3.443 1.00 11.77 ? 453 GLY H HA2 1 ATOM 2864 H HA3 . GLY B 2 133 ? -10.671 -17.170 -4.795 1.00 11.77 ? 453 GLY H HA3 1 ATOM 2865 N N . TYR B 2 134 ? -11.277 -14.695 -3.360 1.00 8.10 ? 454 TYR H N 1 ATOM 2866 C CA . TYR B 2 134 ? -10.972 -13.332 -2.949 1.00 7.52 ? 454 TYR H CA 1 ATOM 2867 C C . TYR B 2 134 ? -10.582 -13.347 -1.473 1.00 7.63 ? 454 TYR H C 1 ATOM 2868 O O . TYR B 2 134 ? -11.111 -14.133 -0.691 1.00 8.31 ? 454 TYR H O 1 ATOM 2869 C CB . TYR B 2 134 ? -12.173 -12.413 -3.183 1.00 8.26 ? 454 TYR H CB 1 ATOM 2870 C CG . TYR B 2 134 ? -12.550 -12.182 -4.624 1.00 8.89 ? 454 TYR H CG 1 ATOM 2871 C CD1 . TYR B 2 134 ? -11.708 -12.528 -5.692 1.00 10.34 ? 454 TYR H CD1 1 ATOM 2872 C CD2 . TYR B 2 134 ? -13.729 -11.544 -4.923 1.00 9.35 ? 454 TYR H CD2 1 ATOM 2873 C CE1 . TYR B 2 134 ? -12.070 -12.247 -6.995 1.00 11.66 ? 454 TYR H CE1 1 ATOM 2874 C CE2 . TYR B 2 134 ? -14.099 -11.283 -6.208 1.00 10.85 ? 454 TYR H CE2 1 ATOM 2875 C CZ . TYR B 2 134 ? -13.286 -11.644 -7.240 1.00 11.71 ? 454 TYR H CZ 1 ATOM 2876 O OH . TYR B 2 134 ? -13.671 -11.354 -8.515 1.00 16.42 ? 454 TYR H OH 1 ATOM 2877 H H . TYR B 2 134 ? -12.116 -14.866 -3.435 1.00 9.70 ? 454 TYR H H 1 ATOM 2878 H HA . TYR B 2 134 ? -10.214 -12.994 -3.469 1.00 9.00 ? 454 TYR H HA 1 ATOM 2879 H HB2 . TYR B 2 134 ? -12.945 -12.799 -2.740 1.00 9.90 ? 454 TYR H HB2 1 ATOM 2880 H HB3 . TYR B 2 134 ? -11.976 -11.547 -2.793 1.00 9.90 ? 454 TYR H HB3 1 ATOM 2881 H HD1 . TYR B 2 134 ? -10.893 -12.943 -5.520 1.00 12.39 ? 454 TYR H HD1 1 ATOM 2882 H HD2 . TYR B 2 134 ? -14.299 -11.300 -4.230 1.00 11.21 ? 454 TYR H HD2 1 ATOM 2883 H HE1 . TYR B 2 134 ? -11.518 -12.495 -7.701 1.00 13.98 ? 454 TYR H HE1 1 ATOM 2884 H HE2 . TYR B 2 134 ? -14.910 -10.862 -6.381 1.00 13.00 ? 454 TYR H HE2 1 ATOM 2885 H HH . TYR B 2 134 ? -13.708 -12.042 -8.960 1.00 19.68 ? 454 TYR H HH 1 ATOM 2886 N N . LYS B 2 135 ? -9.657 -12.495 -1.083 1.00 6.71 ? 455 LYS H N 1 ATOM 2887 C CA . LYS B 2 135 ? -9.149 -12.482 0.269 1.00 6.96 ? 455 LYS H CA 1 ATOM 2888 C C . LYS B 2 135 ? -9.723 -11.341 1.095 1.00 6.50 ? 455 LYS H C 1 ATOM 2889 O O . LYS B 2 135 ? -9.923 -10.230 0.597 1.00 7.47 ? 455 LYS H O 1 ATOM 2890 C CB . LYS B 2 135 ? -7.626 -12.388 0.282 1.00 7.49 ? 455 LYS H CB 1 ATOM 2891 C CG . LYS B 2 135 ? -6.907 -13.608 -0.235 1.00 7.86 ? 455 LYS H CG 1 ATOM 2892 C CD . LYS B 2 135 ? -5.406 -13.418 -0.261 1.00 9.46 ? 455 LYS H CD 1 ATOM 2893 C CE . LYS B 2 135 ? -4.714 -14.660 -0.822 1.00 10.24 ? 455 LYS H CE 1 ATOM 2894 N NZ . LYS B 2 135 ? -3.292 -14.397 -0.921 1.00 12.66 ? 455 LYS H NZ 1 ATOM 2895 H H . LYS B 2 135 ? -9.300 -11.903 -1.595 1.00 8.04 ? 455 LYS H H 1 ATOM 2896 H HA . LYS B 2 135 ? -9.399 -13.322 0.707 1.00 8.34 ? 455 LYS H HA 1 ATOM 2897 H HB2 . LYS B 2 135 ? -7.359 -11.636 -0.269 1.00 8.98 ? 455 LYS H HB2 1 ATOM 2898 H HB3 . LYS B 2 135 ? -7.333 -12.241 1.195 1.00 8.98 ? 455 LYS H HB3 1 ATOM 2899 H HG2 . LYS B 2 135 ? -7.107 -14.362 0.342 1.00 9.42 ? 455 LYS H HG2 1 ATOM 2900 H HG3 . LYS B 2 135 ? -7.204 -13.792 -1.140 1.00 9.42 ? 455 LYS H HG3 1 ATOM 2901 H HD2 . LYS B 2 135 ? -5.185 -12.663 -0.828 1.00 11.34 ? 455 LYS H HD2 1 ATOM 2902 H HD3 . LYS B 2 135 ? -5.083 -13.270 0.642 1.00 11.34 ? 455 LYS H HD3 1 ATOM 2903 H HE2 . LYS B 2 135 ? -4.853 -15.412 -0.224 1.00 12.28 ? 455 LYS H HE2 1 ATOM 2904 H HE3 . LYS B 2 135 ? -5.058 -14.856 -1.708 1.00 12.28 ? 455 LYS H HE3 1 ATOM 2905 H HZ1 . LYS B 2 135 ? -2.873 -15.111 -1.246 1.00 15.18 ? 455 LYS H HZ1 1 ATOM 2906 H HZ2 . LYS B 2 135 ? -3.148 -13.705 -1.462 1.00 15.18 ? 455 LYS H HZ2 1 ATOM 2907 H HZ3 . LYS B 2 135 ? -2.961 -14.209 -0.116 1.00 15.18 ? 455 LYS H HZ3 1 ATOM 2908 N N . GLY B 2 136 ? -9.960 -11.629 2.369 1.00 6.46 ? 456 GLY H N 1 ATOM 2909 C CA . GLY B 2 136 ? -10.226 -10.620 3.360 1.00 6.34 ? 456 GLY H CA 1 ATOM 2910 C C . GLY B 2 136 ? -9.215 -10.732 4.470 1.00 6.56 ? 456 GLY H C 1 ATOM 2911 O O . GLY B 2 136 ? -8.215 -11.434 4.353 1.00 7.43 ? 456 GLY H O 1 ATOM 2912 H H . GLY B 2 136 ? -9.970 -12.429 2.683 1.00 7.74 ? 456 GLY H H 1 ATOM 2913 H HA2 . GLY B 2 136 ? -10.164 -9.737 2.963 1.00 7.59 ? 456 GLY H HA2 1 ATOM 2914 H HA3 . GLY B 2 136 ? -11.116 -10.741 3.728 1.00 7.59 ? 456 GLY H HA3 1 ATOM 2915 N N . ARG B 2 137 ? -9.444 -9.979 5.526 1.00 6.31 ? 457 ARG H N 1 ATOM 2916 C CA . ARG B 2 137 ? -8.449 -9.764 6.573 1.00 6.50 ? 457 ARG H CA 1 ATOM 2917 C C . ARG B 2 137 ? -9.124 -9.910 7.924 1.00 6.13 ? 457 ARG H C 1 ATOM 2918 O O . ARG B 2 137 ? -10.204 -9.361 8.164 1.00 6.52 ? 457 ARG H O 1 ATOM 2919 C CB . ARG B 2 137 ? -7.902 -8.355 6.441 1.00 7.52 ? 457 ARG H CB 1 ATOM 2920 C CG . ARG B 2 137 ? -7.032 -7.947 7.599 1.00 8.54 ? 457 ARG H CG 1 ATOM 2921 C CD . ARG B 2 137 ? -6.455 -6.566 7.384 1.00 9.36 ? 457 ARG H CD 1 ATOM 2922 N NE . ARG B 2 137 ? -5.420 -6.563 6.349 1.00 8.45 ? 457 ARG H NE 1 ATOM 2923 C CZ . ARG B 2 137 ? -4.827 -5.465 5.919 1.00 9.30 ? 457 ARG H CZ 1 ATOM 2924 N NH1 . ARG B 2 137 ? -5.167 -4.301 6.420 1.00 9.67 ? 457 ARG H NH1 1 ATOM 2925 N NH2 . ARG B 2 137 ? -3.873 -5.525 5.002 1.00 10.64 ? 457 ARG H NH2 1 ATOM 2926 H H . ARG B 2 137 ? -10.186 -9.569 5.669 1.00 7.56 ? 457 ARG H H 1 ATOM 2927 H HA . ARG B 2 137 ? -7.718 -10.412 6.496 1.00 7.78 ? 457 ARG H HA 1 ATOM 2928 H HB2 . ARG B 2 137 ? -7.369 -8.298 5.633 1.00 9.01 ? 457 ARG H HB2 1 ATOM 2929 H HB3 . ARG B 2 137 ? -8.645 -7.732 6.392 1.00 9.01 ? 457 ARG H HB3 1 ATOM 2930 H HG2 . ARG B 2 137 ? -7.563 -7.933 8.410 1.00 10.23 ? 457 ARG H HG2 1 ATOM 2931 H HG3 . ARG B 2 137 ? -6.298 -8.575 7.686 1.00 10.23 ? 457 ARG H HG3 1 ATOM 2932 H HD2 . ARG B 2 137 ? -7.163 -5.964 7.105 1.00 11.21 ? 457 ARG H HD2 1 ATOM 2933 H HD3 . ARG B 2 137 ? -6.057 -6.255 8.211 1.00 11.21 ? 457 ARG H HD3 1 ATOM 2934 H HE . ARG B 2 137 ? -5.290 -7.290 5.908 1.00 10.12 ? 457 ARG H HE 1 ATOM 2935 H HH11 . ARG B 2 137 ? -5.778 -4.254 7.023 1.00 11.59 ? 457 ARG H HH11 1 ATOM 2936 H HH12 . ARG B 2 137 ? -4.783 -3.584 6.141 1.00 11.59 ? 457 ARG H HH12 1 ATOM 2937 H HH21 . ARG B 2 137 ? -3.647 -6.284 4.666 1.00 12.75 ? 457 ARG H HH21 1 ATOM 2938 H HH22 . ARG B 2 137 ? -3.499 -4.802 4.722 1.00 12.75 ? 457 ARG H HH22 1 ATOM 2939 N N . VAL B 2 138 ? -8.481 -10.623 8.828 1.00 6.08 ? 458 VAL H N 1 ATOM 2940 C CA A VAL B 2 138 ? -8.952 -10.822 10.193 0.68 6.19 ? 458 VAL H CA 1 ATOM 2941 C CA B VAL B 2 138 ? -8.977 -10.763 10.179 0.32 6.71 ? 458 VAL H CA 1 ATOM 2942 C C . VAL B 2 138 ? -7.900 -10.275 11.135 1.00 6.97 ? 458 VAL H C 1 ATOM 2943 O O . VAL B 2 138 ? -6.701 -10.459 10.904 1.00 7.93 ? 458 VAL H O 1 ATOM 2944 C CB A VAL B 2 138 ? -9.217 -12.316 10.499 0.68 8.42 ? 458 VAL H CB 1 ATOM 2945 C CB B VAL B 2 138 ? -9.492 -12.213 10.484 0.32 8.31 ? 458 VAL H CB 1 ATOM 2946 C CG1 A VAL B 2 138 ? -9.903 -12.472 11.828 0.68 10.08 ? 458 VAL H CG1 1 ATOM 2947 C CG1 B VAL B 2 138 ? -8.435 -13.281 10.246 0.32 7.41 ? 458 VAL H CG1 1 ATOM 2948 C CG2 A VAL B 2 138 ? -10.127 -12.907 9.415 0.68 10.32 ? 458 VAL H CG2 1 ATOM 2949 C CG2 B VAL B 2 138 ? -10.068 -12.297 11.886 0.32 9.48 ? 458 VAL H CG2 1 ATOM 2950 H H . VAL B 2 138 ? -7.735 -11.021 8.670 1.00 7.29 ? 458 VAL H H 1 ATOM 2951 H HA A VAL B 2 138 ? -9.784 -10.323 10.330 0.68 7.41 ? 458 VAL H HA 1 ATOM 2952 H HA B VAL B 2 138 ? -9.744 -10.162 10.282 0.32 8.04 ? 458 VAL H HA 1 ATOM 2953 H HB A VAL B 2 138 ? -8.372 -12.812 10.514 0.68 10.09 ? 458 VAL H HB 1 ATOM 2954 H HB B VAL B 2 138 ? -10.228 -12.404 9.866 0.32 9.96 ? 458 VAL H HB 1 ATOM 2955 H HG11 A VAL B 2 138 ? -10.055 -13.405 11.993 0.68 12.09 ? 458 VAL H HG11 1 ATOM 2956 H HG11 B VAL B 2 138 ? -8.809 -14.142 10.450 0.32 8.88 ? 458 VAL H HG11 1 ATOM 2957 H HG12 A VAL B 2 138 ? -9.340 -12.105 12.514 0.68 12.09 ? 458 VAL H HG12 1 ATOM 2958 H HG12 B VAL B 2 138 ? -8.162 -13.252 9.326 0.32 8.88 ? 458 VAL H HG12 1 ATOM 2959 H HG13 A VAL B 2 138 ? -10.740 -12.002 11.805 0.68 12.09 ? 458 VAL H HG13 1 ATOM 2960 H HG13 B VAL B 2 138 ? -7.682 -13.108 10.817 0.32 8.88 ? 458 VAL H HG13 1 ATOM 2961 H HG21 A VAL B 2 138 ? -10.286 -13.833 9.612 0.68 12.37 ? 458 VAL H HG21 1 ATOM 2962 H HG21 B VAL B 2 138 ? -10.374 -13.193 12.044 0.32 11.37 ? 458 VAL H HG21 1 ATOM 2963 H HG22 A VAL B 2 138 ? -10.957 -12.426 9.407 0.68 12.37 ? 458 VAL H HG22 1 ATOM 2964 H HG22 B VAL B 2 138 ? -9.384 -12.068 12.519 0.32 11.37 ? 458 VAL H HG22 1 ATOM 2965 H HG23 A VAL B 2 138 ? -9.692 -12.823 8.563 0.68 12.37 ? 458 VAL H HG23 1 ATOM 2966 H HG23 B VAL B 2 138 ? -10.802 -11.682 11.959 0.32 11.37 ? 458 VAL H HG23 1 ATOM 2967 N N . THR B 2 139 ? -8.356 -9.627 12.191 1.00 7.69 ? 459 THR H N 1 ATOM 2968 C CA . THR B 2 139 ? -7.483 -9.041 13.199 1.00 7.52 ? 459 THR H CA 1 ATOM 2969 C C . THR B 2 139 ? -7.934 -9.418 14.574 1.00 7.25 ? 459 THR H C 1 ATOM 2970 O O . THR B 2 139 ? -9.126 -9.643 14.804 1.00 8.03 ? 459 THR H O 1 ATOM 2971 C CB . THR B 2 139 ? -7.481 -7.514 13.061 1.00 9.31 ? 459 THR H CB 1 ATOM 2972 O OG1 . THR B 2 139 ? -8.830 -7.055 12.922 1.00 10.69 ? 459 THR H OG1 1 ATOM 2973 C CG2 . THR B 2 139 ? -6.680 -7.071 11.870 1.00 9.41 ? 459 THR H CG2 1 ATOM 2974 H H . THR B 2 139 ? -9.192 -9.508 12.353 1.00 9.22 ? 459 THR H H 1 ATOM 2975 H HA . THR B 2 139 ? -6.568 -9.367 13.070 1.00 9.01 ? 459 THR H HA 1 ATOM 2976 H HB . THR B 2 139 ? -7.088 -7.121 13.855 1.00 11.16 ? 459 THR H HB 1 ATOM 2977 H HG1 . THR B 2 139 ? -9.268 -7.268 13.582 1.00 12.81 ? 459 THR H HG1 1 ATOM 2978 H HG21 . THR B 2 139 ? -6.693 -6.114 11.804 1.00 11.27 ? 459 THR H HG21 1 ATOM 2979 H HG22 . THR B 2 139 ? -5.771 -7.366 11.959 1.00 11.27 ? 459 THR H HG22 1 ATOM 2980 H HG23 . THR B 2 139 ? -7.052 -7.445 11.068 1.00 11.27 ? 459 THR H HG23 1 ATOM 2981 N N . GLY B 2 140 ? -7.009 -9.462 15.506 1.00 7.57 ? 460 GLY H N 1 ATOM 2982 C CA . GLY B 2 140 ? -7.371 -9.714 16.896 1.00 7.84 ? 460 GLY H CA 1 ATOM 2983 C C . GLY B 2 140 ? -6.188 -9.960 17.791 1.00 8.11 ? 460 GLY H C 1 ATOM 2984 O O . GLY B 2 140 ? -5.032 -10.088 17.346 1.00 8.50 ? 460 GLY H O 1 ATOM 2985 H H . GLY B 2 140 ? -6.167 -9.351 15.370 1.00 9.07 ? 460 GLY H H 1 ATOM 2986 H HA2 . GLY B 2 140 ? -7.859 -8.951 17.243 1.00 9.40 ? 460 GLY H HA2 1 ATOM 2987 H HA3 . GLY B 2 140 ? -7.950 -10.491 16.940 1.00 9.40 ? 460 GLY H HA3 1 ATOM 2988 N N . TRP B 2 141 ? -6.493 -10.087 19.077 1.00 8.54 ? 461 TRP H N 1 ATOM 2989 C CA . TRP B 2 141 ? -5.521 -10.342 20.113 1.00 9.27 ? 461 TRP H CA 1 ATOM 2990 C C . TRP B 2 141 ? -5.634 -11.754 20.671 1.00 9.79 ? 461 TRP H C 1 ATOM 2991 O O . TRP B 2 141 ? -5.156 -12.047 21.753 1.00 11.84 ? 461 TRP H O 1 ATOM 2992 C CB . TRP B 2 141 ? -5.710 -9.353 21.258 1.00 10.49 ? 461 TRP H CB 1 ATOM 2993 C CG . TRP B 2 141 ? -5.425 -7.934 20.952 1.00 10.21 ? 461 TRP H CG 1 ATOM 2994 C CD1 . TRP B 2 141 ? -4.203 -7.321 20.965 1.00 11.83 ? 461 TRP H CD1 1 ATOM 2995 C CD2 . TRP B 2 141 ? -6.383 -6.913 20.657 1.00 11.10 ? 461 TRP H CD2 1 ATOM 2996 N NE1 . TRP B 2 141 ? -4.340 -5.976 20.688 1.00 12.38 ? 461 TRP H NE1 1 ATOM 2997 C CE2 . TRP B 2 141 ? -5.674 -5.698 20.519 1.00 12.64 ? 461 TRP H CE2 1 ATOM 2998 C CE3 . TRP B 2 141 ? -7.790 -6.895 20.523 1.00 11.74 ? 461 TRP H CE3 1 ATOM 2999 C CZ2 . TRP B 2 141 ? -6.313 -4.504 20.221 1.00 13.42 ? 461 TRP H CZ2 1 ATOM 3000 C CZ3 . TRP B 2 141 ? -8.411 -5.718 20.280 1.00 13.51 ? 461 TRP H CZ3 1 ATOM 3001 C CH2 . TRP B 2 141 ? -7.681 -4.540 20.093 1.00 14.07 ? 461 TRP H CH2 1 ATOM 3002 H H . TRP B 2 141 ? -7.296 -10.026 19.379 1.00 10.23 ? 461 TRP H H 1 ATOM 3003 H HA . TRP B 2 141 ? -4.619 -10.225 19.749 1.00 11.11 ? 461 TRP H HA 1 ATOM 3004 H HB2 . TRP B 2 141 ? -6.633 -9.404 21.555 1.00 12.58 ? 461 TRP H HB2 1 ATOM 3005 H HB3 . TRP B 2 141 ? -5.124 -9.614 21.986 1.00 12.58 ? 461 TRP H HB3 1 ATOM 3006 H HD1 . TRP B 2 141 ? -3.394 -7.750 21.131 1.00 14.19 ? 461 TRP H HD1 1 ATOM 3007 H HE1 . TRP B 2 141 ? -3.699 -5.405 20.639 1.00 14.84 ? 461 TRP H HE1 1 ATOM 3008 H HE3 . TRP B 2 141 ? -8.286 -7.671 20.652 1.00 14.07 ? 461 TRP H HE3 1 ATOM 3009 H HZ2 . TRP B 2 141 ? -5.835 -3.714 20.107 1.00 16.09 ? 461 TRP H HZ2 1 ATOM 3010 H HZ3 . TRP B 2 141 ? -9.335 -5.704 20.170 1.00 16.20 ? 461 TRP H HZ3 1 ATOM 3011 H HH2 . TRP B 2 141 ? -8.136 -3.753 19.900 1.00 16.87 ? 461 TRP H HH2 1 ATOM 3012 N N . GLY B 2 142 ? -6.265 -12.633 19.909 1.00 9.52 ? 462 GLY H N 1 ATOM 3013 C CA . GLY B 2 142 ? -6.440 -14.026 20.313 1.00 10.78 ? 462 GLY H CA 1 ATOM 3014 C C . GLY B 2 142 ? -5.174 -14.857 20.236 1.00 10.12 ? 462 GLY H C 1 ATOM 3015 O O . GLY B 2 142 ? -4.099 -14.388 19.878 1.00 10.88 ? 462 GLY H O 1 ATOM 3016 H H . GLY B 2 142 ? -6.607 -12.448 19.142 1.00 11.40 ? 462 GLY H H 1 ATOM 3017 H HA2 . GLY B 2 142 ? -6.764 -14.053 21.227 1.00 12.92 ? 462 GLY H HA2 1 ATOM 3018 H HA3 . GLY B 2 142 ? -7.108 -14.440 19.744 1.00 12.92 ? 462 GLY H HA3 1 ATOM 3019 N N . ASN B 2 143 ? -5.310 -16.129 20.579 1.00 11.42 ? 463 ASN H N 1 ATOM 3020 C CA . ASN B 2 143 ? -4.175 -17.020 20.643 1.00 12.92 ? 463 ASN H CA 1 ATOM 3021 C C . ASN B 2 143 ? -3.413 -17.111 19.334 1.00 11.69 ? 463 ASN H C 1 ATOM 3022 O O . ASN B 2 143 ? -3.997 -17.099 18.262 1.00 11.19 ? 463 ASN H O 1 ATOM 3023 C CB . ASN B 2 143 ? -4.655 -18.433 20.981 1.00 17.94 ? 463 ASN H CB 1 ATOM 3024 C CG . ASN B 2 143 ? -5.175 -18.565 22.369 1.00 24.17 ? 463 ASN H CG 1 ATOM 3025 O OD1 . ASN B 2 143 ? -5.275 -17.606 23.119 1.00 25.09 ? 463 ASN H OD1 1 ATOM 3026 N ND2 . ASN B 2 143 ? -5.500 -19.786 22.730 1.00 29.76 ? 463 ASN H ND2 1 ATOM 3027 H H . ASN B 2 143 ? -6.059 -16.500 20.781 1.00 13.69 ? 463 ASN H H 1 ATOM 3028 H HA . ASN B 2 143 ? -3.559 -16.721 21.345 1.00 15.49 ? 463 ASN H HA 1 ATOM 3029 H HB2 . ASN B 2 143 ? -5.369 -18.676 20.371 1.00 21.51 ? 463 ASN H HB2 1 ATOM 3030 H HB3 . ASN B 2 143 ? -3.912 -19.049 20.881 1.00 21.51 ? 463 ASN H HB3 1 ATOM 3031 H HD21 . ASN B 2 143 ? -5.807 -19.933 23.520 1.00 35.70 ? 463 ASN H HD21 1 ATOM 3032 H HD22 . ASN B 2 143 ? -5.406 -20.437 22.177 1.00 35.70 ? 463 ASN H HD22 1 ATOM 3033 N N . LEU B 2 144 ? -2.098 -17.303 19.452 1.00 12.19 ? 464 LEU H N 1 ATOM 3034 C CA . LEU B 2 144 ? -1.193 -17.479 18.322 1.00 12.63 ? 464 LEU H CA 1 ATOM 3035 C C . LEU B 2 144 ? -1.168 -18.909 17.786 1.00 13.45 ? 464 LEU H C 1 ATOM 3036 O O . LEU B 2 144 ? -0.697 -19.154 16.682 1.00 15.49 ? 464 LEU H O 1 ATOM 3037 C CB . LEU B 2 144 ? 0.224 -17.058 18.722 1.00 14.01 ? 464 LEU H CB 1 ATOM 3038 C CG . LEU B 2 144 ? 0.340 -15.587 19.109 1.00 14.30 ? 464 LEU H CG 1 ATOM 3039 C CD1 . LEU B 2 144 ? 1.709 -15.380 19.719 1.00 16.29 ? 464 LEU H CD1 1 ATOM 3040 C CD2 . LEU B 2 144 ? 0.129 -14.694 17.889 1.00 15.20 ? 464 LEU H CD2 1 ATOM 3041 H H . LEU B 2 144 ? -1.695 -17.337 20.210 1.00 14.61 ? 464 LEU H H 1 ATOM 3042 H HA . LEU B 2 144 ? -1.484 -16.893 17.592 1.00 15.14 ? 464 LEU H HA 1 ATOM 3043 H HB2 . LEU B 2 144 ? 0.504 -17.589 19.484 1.00 16.80 ? 464 LEU H HB2 1 ATOM 3044 H HB3 . LEU B 2 144 ? 0.820 -17.216 17.973 1.00 16.80 ? 464 LEU H HB3 1 ATOM 3045 H HG . LEU B 2 144 ? -0.332 -15.370 19.774 1.00 17.14 ? 464 LEU H HG 1 ATOM 3046 H HD11 . LEU B 2 144 ? 1.803 -14.459 19.970 1.00 19.53 ? 464 LEU H HD11 1 ATOM 3047 H HD12 . LEU B 2 144 ? 1.794 -15.942 20.493 1.00 19.53 ? 464 LEU H HD12 1 ATOM 3048 H HD13 . LEU B 2 144 ? 2.377 -15.613 19.070 1.00 19.53 ? 464 LEU H HD13 1 ATOM 3049 H HD21 . LEU B 2 144 ? 0.206 -13.776 18.157 1.00 18.23 ? 464 LEU H HD21 1 ATOM 3050 H HD22 . LEU B 2 144 ? 0.797 -14.901 17.232 1.00 18.23 ? 464 LEU H HD22 1 ATOM 3051 H HD23 . LEU B 2 144 ? -0.746 -14.858 17.530 1.00 18.23 ? 464 LEU H HD23 1 ATOM 3052 N N . LYS B 2 145 ? -1.675 -19.848 18.580 1.00 15.06 ? 465 LYS H N 1 ATOM 3053 C CA A LYS B 2 145 ? -1.716 -21.263 18.212 0.39 17.89 ? 465 LYS H CA 1 ATOM 3054 C CA B LYS B 2 145 ? -1.731 -21.256 18.186 0.61 17.61 ? 465 LYS H CA 1 ATOM 3055 C C . LYS B 2 145 ? -2.904 -21.891 18.912 1.00 16.39 ? 465 LYS H C 1 ATOM 3056 O O . LYS B 2 145 ? -3.361 -21.386 19.946 1.00 17.42 ? 465 LYS H O 1 ATOM 3057 C CB A LYS B 2 145 ? -0.449 -22.001 18.669 0.39 23.62 ? 465 LYS H CB 1 ATOM 3058 C CB B LYS B 2 145 ? -0.436 -22.003 18.560 0.61 23.64 ? 465 LYS H CB 1 ATOM 3059 C CG A LYS B 2 145 ? 0.816 -21.658 17.903 0.39 29.46 ? 465 LYS H CG 1 ATOM 3060 C CG B LYS B 2 145 ? 0.826 -21.538 17.821 0.61 29.60 ? 465 LYS H CG 1 ATOM 3061 C CD A LYS B 2 145 ? 2.017 -22.376 18.501 0.39 34.46 ? 465 LYS H CD 1 ATOM 3062 C CD B LYS B 2 145 ? 0.770 -21.854 16.326 0.61 34.59 ? 465 LYS H CD 1 ATOM 3063 C CE A LYS B 2 145 ? 3.300 -22.037 17.761 0.39 38.75 ? 465 LYS H CE 1 ATOM 3064 C CE B LYS B 2 145 ? 2.152 -21.773 15.678 0.61 39.18 ? 465 LYS H CE 1 ATOM 3065 N NZ A LYS B 2 145 ? 4.493 -22.612 18.443 0.39 41.31 ? 465 LYS H NZ 1 ATOM 3066 N NZ B LYS B 2 145 ? 2.349 -20.554 14.840 0.61 39.93 ? 465 LYS H NZ 1 ATOM 3067 H H . LYS B 2 145 ? -2.009 -19.688 19.356 1.00 18.06 ? 465 LYS H H 1 ATOM 3068 H HA A LYS B 2 145 ? -1.820 -21.362 17.242 0.39 21.45 ? 465 LYS H HA 1 ATOM 3069 H HA B LYS B 2 145 ? -1.876 -21.329 17.219 0.61 21.12 ? 465 LYS H HA 1 ATOM 3070 H HB2 A LYS B 2 145 ? -0.290 -21.789 19.603 0.39 28.33 ? 465 LYS H HB2 1 ATOM 3071 H HB2 B LYS B 2 145 ? -0.277 -21.887 19.510 0.61 28.35 ? 465 LYS H HB2 1 ATOM 3072 H HB3 A LYS B 2 145 ? -0.597 -22.955 18.574 0.39 28.33 ? 465 LYS H HB3 1 ATOM 3073 H HB3 B LYS B 2 145 ? -0.558 -22.946 18.365 0.61 28.35 ? 465 LYS H HB3 1 ATOM 3074 H HG2 A LYS B 2 145 ? 0.720 -21.938 16.979 0.39 35.33 ? 465 LYS H HG2 1 ATOM 3075 H HG2 B LYS B 2 145 ? 0.918 -20.577 17.923 0.61 35.50 ? 465 LYS H HG2 1 ATOM 3076 H HG3 A LYS B 2 145 ? 0.975 -20.702 17.953 0.39 35.33 ? 465 LYS H HG3 1 ATOM 3077 H HG3 B LYS B 2 145 ? 1.599 -21.989 18.196 0.61 35.50 ? 465 LYS H HG3 1 ATOM 3078 H HD2 A LYS B 2 145 ? 2.122 -22.108 19.427 0.39 41.34 ? 465 LYS H HD2 1 ATOM 3079 H HD2 B LYS B 2 145 ? 0.429 -22.753 16.202 0.61 41.50 ? 465 LYS H HD2 1 ATOM 3080 H HD3 A LYS B 2 145 ? 1.878 -23.334 18.443 0.39 41.34 ? 465 LYS H HD3 1 ATOM 3081 H HD3 B LYS B 2 145 ? 0.191 -21.212 15.885 0.61 41.50 ? 465 LYS H HD3 1 ATOM 3082 H HE2 A LYS B 2 145 ? 3.257 -22.402 16.863 0.39 46.48 ? 465 LYS H HE2 1 ATOM 3083 H HE2 B LYS B 2 145 ? 2.825 -21.766 16.377 0.61 47.00 ? 465 LYS H HE2 1 ATOM 3084 H HE3 A LYS B 2 145 ? 3.405 -21.073 17.727 0.39 46.48 ? 465 LYS H HE3 1 ATOM 3085 H HE3 B LYS B 2 145 ? 2.277 -22.549 15.109 0.61 47.00 ? 465 LYS H HE3 1 ATOM 3086 H HZ1 A LYS B 2 145 ? 5.231 -22.402 17.993 0.39 49.56 ? 465 LYS H HZ1 1 ATOM 3087 H HZ1 B LYS B 2 145 ? 3.167 -20.556 14.488 0.61 47.90 ? 465 LYS H HZ1 1 ATOM 3088 H HZ2 A LYS B 2 145 ? 4.555 -22.289 19.269 0.39 49.56 ? 465 LYS H HZ2 1 ATOM 3089 H HZ2 B LYS B 2 145 ? 1.751 -20.538 14.182 0.61 47.90 ? 465 LYS H HZ2 1 ATOM 3090 H HZ3 A LYS B 2 145 ? 4.421 -23.499 18.483 0.39 49.56 ? 465 LYS H HZ3 1 ATOM 3091 H HZ3 B LYS B 2 145 ? 2.251 -19.823 15.339 0.61 47.90 ? 465 LYS H HZ3 1 ATOM 3092 N N . GLU B 2 146 ? -3.390 -23.001 18.383 1.00 16.57 ? 466 GLU H N 1 ATOM 3093 C CA . GLU B 2 146 ? -4.480 -23.727 19.022 1.00 17.82 ? 466 GLU H CA 1 ATOM 3094 C C . GLU B 2 146 ? -4.218 -24.085 20.463 1.00 24.08 ? 466 GLU H C 1 ATOM 3095 O O . GLU B 2 146 ? -3.135 -24.523 20.724 1.00 27.16 ? 466 GLU H O 1 ATOM 3096 C CB . GLU B 2 146 ? -4.766 -25.001 18.213 1.00 18.19 ? 466 GLU H CB 1 ATOM 3097 C CG . GLU B 2 146 ? -5.832 -25.851 18.823 1.00 18.60 ? 466 GLU H CG 1 ATOM 3098 C CD . GLU B 2 146 ? -6.216 -27.042 17.976 0.96 16.52 ? 466 GLU H CD 1 ATOM 3099 O OE1 . GLU B 2 146 ? -6.640 -28.039 18.590 0.69 19.27 ? 466 GLU H OE1 1 ATOM 3100 O OE2 . GLU B 2 146 ? -6.143 -26.996 16.724 1.00 13.70 ? 466 GLU H OE2 1 ATOM 3101 H H . GLU B 2 146 ? -3.109 -23.357 17.653 1.00 19.87 ? 466 GLU H H 1 ATOM 3102 H HA . GLU B 2 146 ? -5.286 -23.170 18.997 1.00 21.37 ? 466 GLU H HA 1 ATOM 3103 H HB2 . GLU B 2 146 ? -5.056 -24.751 17.322 1.00 21.81 ? 466 GLU H HB2 1 ATOM 3104 H HB3 . GLU B 2 146 ? -3.955 -25.531 18.161 1.00 21.81 ? 466 GLU H HB3 1 ATOM 3105 H HG2 . GLU B 2 146 ? -5.516 -26.183 19.678 1.00 22.31 ? 466 GLU H HG2 1 ATOM 3106 H HG3 . GLU B 2 146 ? -6.627 -25.310 18.954 1.00 22.31 ? 466 GLU H HG3 1 ATOM 3107 N N . GLY B 2 155 ? 0.699 -18.175 24.923 1.00 36.40 ? 475 GLY H N 1 ATOM 3108 C CA . GLY B 2 155 ? 0.527 -18.126 23.480 1.00 30.49 ? 475 GLY H CA 1 ATOM 3109 C C . GLY B 2 155 ? -0.292 -16.931 23.037 1.00 24.46 ? 475 GLY H C 1 ATOM 3110 O O . GLY B 2 155 ? -1.076 -17.029 22.133 1.00 22.60 ? 475 GLY H O 1 ATOM 3111 H HA2 . GLY B 2 155 ? 1.397 -18.078 23.052 1.00 36.57 ? 475 GLY H HA2 1 ATOM 3112 H HA3 . GLY B 2 155 ? 0.081 -18.933 23.180 1.00 36.57 ? 475 GLY H HA3 1 ATOM 3113 N N . GLN B 2 156 ? -0.087 -15.807 23.694 1.00 25.64 ? 476 GLN H N 1 ATOM 3114 C CA A GLN B 2 156 ? -0.839 -14.598 23.409 0.41 26.39 ? 476 GLN H CA 1 ATOM 3115 C CA B GLN B 2 156 ? -0.835 -14.588 23.425 0.59 26.34 ? 476 GLN H CA 1 ATOM 3116 C C . GLN B 2 156 ? 0.099 -13.550 22.837 1.00 21.62 ? 476 GLN H C 1 ATOM 3117 O O . GLN B 2 156 ? 1.250 -13.452 23.247 1.00 23.26 ? 476 GLN H O 1 ATOM 3118 C CB A GLN B 2 156 ? -1.497 -14.080 24.689 0.41 31.84 ? 476 GLN H CB 1 ATOM 3119 C CB B GLN B 2 156 ? -1.426 -14.044 24.726 0.59 31.74 ? 476 GLN H CB 1 ATOM 3120 C CG A GLN B 2 156 ? -2.512 -15.046 25.298 0.41 36.99 ? 476 GLN H CG 1 ATOM 3121 C CG B GLN B 2 156 ? -2.071 -15.100 25.607 0.59 36.92 ? 476 GLN H CG 1 ATOM 3122 C CD A GLN B 2 156 ? -2.987 -14.614 26.675 0.41 41.41 ? 476 GLN H CD 1 ATOM 3123 C CD B GLN B 2 156 ? -3.170 -15.849 24.895 0.59 41.32 ? 476 GLN H CD 1 ATOM 3124 O OE1 A GLN B 2 156 ? -2.187 -14.447 27.596 0.41 42.46 ? 476 GLN H OE1 1 ATOM 3125 O OE1 B GLN B 2 156 ? -3.881 -15.282 24.061 0.59 43.02 ? 476 GLN H OE1 1 ATOM 3126 N NE2 A GLN B 2 156 ? -4.296 -14.432 26.820 0.41 43.38 ? 476 GLN H NE2 1 ATOM 3127 N NE2 B GLN B 2 156 ? -3.316 -17.132 25.214 0.59 42.65 ? 476 GLN H NE2 1 ATOM 3128 H H . GLN B 2 156 ? 0.493 -15.714 24.322 1.00 30.75 ? 476 GLN H H 1 ATOM 3129 H HA A GLN B 2 156 ? -1.538 -14.789 22.749 0.41 31.65 ? 476 GLN H HA 1 ATOM 3130 H HA B GLN B 2 156 ? -1.560 -14.767 22.791 0.59 31.59 ? 476 GLN H HA 1 ATOM 3131 H HB2 A GLN B 2 156 ? -0.808 -13.918 25.352 0.41 38.19 ? 476 GLN H HB2 1 ATOM 3132 H HB2 B GLN B 2 156 ? -0.716 -13.625 25.239 0.59 38.07 ? 476 GLN H HB2 1 ATOM 3133 H HB3 A GLN B 2 156 ? -1.961 -13.251 24.489 0.41 38.19 ? 476 GLN H HB3 1 ATOM 3134 H HB3 B GLN B 2 156 ? -2.104 -13.386 24.508 0.59 38.07 ? 476 GLN H HB3 1 ATOM 3135 H HG2 A GLN B 2 156 ? -3.286 -15.098 24.716 0.41 44.38 ? 476 GLN H HG2 1 ATOM 3136 H HG2 B GLN B 2 156 ? -1.397 -15.742 25.879 0.59 44.29 ? 476 GLN H HG2 1 ATOM 3137 H HG3 A GLN B 2 156 ? -2.102 -15.921 25.384 0.41 44.38 ? 476 GLN H HG3 1 ATOM 3138 H HG3 B GLN B 2 156 ? -2.456 -14.671 26.387 0.59 44.29 ? 476 GLN H HG3 1 ATOM 3139 H HE21 A GLN B 2 156 ? -4.614 -14.187 27.581 0.41 52.05 ? 476 GLN H HE21 1 ATOM 3140 H HE21 B GLN B 2 156 ? -3.928 -17.602 24.836 0.59 51.17 ? 476 GLN H HE21 1 ATOM 3141 H HE22 A GLN B 2 156 ? -4.825 -14.559 26.154 0.41 52.05 ? 476 GLN H HE22 1 ATOM 3142 H HE22 B GLN B 2 156 ? -2.797 -17.491 25.799 0.59 51.17 ? 476 GLN H HE22 1 ATOM 3143 N N . PRO B 2 157 ? -0.392 -12.741 21.890 1.00 15.40 ? 477 PRO H N 1 ATOM 3144 C CA . PRO B 2 157 ? 0.496 -11.753 21.277 1.00 13.82 ? 477 PRO H CA 1 ATOM 3145 C C . PRO B 2 157 ? 0.681 -10.534 22.158 1.00 14.03 ? 477 PRO H C 1 ATOM 3146 O O . PRO B 2 157 ? -0.176 -10.207 22.965 1.00 17.23 ? 477 PRO H O 1 ATOM 3147 C CB . PRO B 2 157 ? -0.268 -11.350 20.008 1.00 13.33 ? 477 PRO H CB 1 ATOM 3148 C CG . PRO B 2 157 ? -1.704 -11.486 20.417 1.00 14.59 ? 477 PRO H CG 1 ATOM 3149 C CD . PRO B 2 157 ? -1.747 -12.719 21.294 1.00 14.84 ? 477 PRO H CD 1 ATOM 3150 H HA . PRO B 2 157 ? 1.364 -12.146 21.044 1.00 16.57 ? 477 PRO H HA 1 ATOM 3151 H HB2 . PRO B 2 157 ? -0.058 -10.434 19.770 1.00 15.98 ? 477 PRO H HB2 1 ATOM 3152 H HB3 . PRO B 2 157 ? -0.054 -11.958 19.283 1.00 15.98 ? 477 PRO H HB3 1 ATOM 3153 H HG2 . PRO B 2 157 ? -1.978 -10.700 20.916 1.00 17.49 ? 477 PRO H HG2 1 ATOM 3154 H HG3 . PRO B 2 157 ? -2.259 -11.604 19.631 1.00 17.49 ? 477 PRO H HG3 1 ATOM 3155 H HD2 . PRO B 2 157 ? -2.421 -12.623 21.984 1.00 17.79 ? 477 PRO H HD2 1 ATOM 3156 H HD3 . PRO B 2 157 ? -1.895 -13.513 20.756 1.00 17.79 ? 477 PRO H HD3 1 ATOM 3157 N N . SER B 2 158 ? 1.764 -9.814 21.952 1.00 14.73 ? 478 SER H N 1 ATOM 3158 C CA A SER B 2 158 ? 1.979 -8.532 22.612 0.66 15.75 ? 478 SER H CA 1 ATOM 3159 C CA B SER B 2 158 ? 1.957 -8.544 22.643 0.34 16.24 ? 478 SER H CA 1 ATOM 3160 C C . SER B 2 158 ? 1.115 -7.422 22.038 1.00 14.69 ? 478 SER H C 1 ATOM 3161 O O . SER B 2 158 ? 0.643 -6.536 22.762 1.00 14.90 ? 478 SER H O 1 ATOM 3162 C CB A SER B 2 158 ? 3.459 -8.128 22.498 0.66 18.69 ? 478 SER H CB 1 ATOM 3163 C CB B SER B 2 158 ? 3.444 -8.144 22.679 0.34 19.35 ? 478 SER H CB 1 ATOM 3164 O OG A SER B 2 158 ? 3.698 -6.824 23.004 0.66 21.47 ? 478 SER H OG 1 ATOM 3165 O OG B SER B 2 158 ? 3.990 -7.954 21.386 0.34 21.46 ? 478 SER H OG 1 ATOM 3166 H H . SER B 2 158 ? 2.404 -10.045 21.427 1.00 17.66 ? 478 SER H H 1 ATOM 3167 H HA A SER B 2 158 ? 1.762 -8.623 23.563 0.66 18.88 ? 478 SER H HA 1 ATOM 3168 H HA B SER B 2 158 ? 1.666 -8.655 23.572 0.34 19.47 ? 478 SER H HA 1 ATOM 3169 H HB2 A SER B 2 158 ? 3.994 -8.761 23.001 0.66 22.41 ? 478 SER H HB2 1 ATOM 3170 H HB2 B SER B 2 158 ? 3.530 -7.315 23.176 0.34 23.21 ? 478 SER H HB2 1 ATOM 3171 H HB3 A SER B 2 158 ? 3.717 -8.151 21.563 0.66 22.41 ? 478 SER H HB3 1 ATOM 3172 H HB3 B SER B 2 158 ? 3.943 -8.845 23.125 0.34 23.21 ? 478 SER H HB3 1 ATOM 3173 H HG A SER B 2 158 ? 2.997 -6.497 23.278 0.66 25.75 ? 478 SER H HG 1 ATOM 3174 H HG B SER B 2 158 ? 3.416 -8.090 20.816 0.34 25.74 ? 478 SER H HG 1 ATOM 3175 N N . VAL B 2 159 ? 0.906 -7.461 20.717 1.00 13.66 ? 479 VAL H N 1 ATOM 3176 C CA . VAL B 2 159 ? 0.138 -6.438 20.037 1.00 12.72 ? 479 VAL H CA 1 ATOM 3177 C C . VAL B 2 159 ? -0.859 -7.098 19.059 1.00 10.79 ? 479 VAL H C 1 ATOM 3178 O O . VAL B 2 159 ? -0.757 -8.277 18.719 1.00 11.13 ? 479 VAL H O 1 ATOM 3179 C CB . VAL B 2 159 ? 1.012 -5.403 19.284 1.00 14.27 ? 479 VAL H CB 1 ATOM 3180 C CG1 . VAL B 2 159 ? 2.030 -4.734 20.234 1.00 15.96 ? 479 VAL H CG1 1 ATOM 3181 C CG2 . VAL B 2 159 ? 1.758 -6.036 18.118 1.00 15.19 ? 479 VAL H CG2 1 ATOM 3182 H H . VAL B 2 159 ? 1.204 -8.078 20.197 1.00 16.38 ? 479 VAL H H 1 ATOM 3183 H HA . VAL B 2 159 ? -0.385 -5.949 20.705 1.00 15.24 ? 479 VAL H HA 1 ATOM 3184 H HB . VAL B 2 159 ? 0.431 -4.701 18.923 1.00 17.11 ? 479 VAL H HB 1 ATOM 3185 H HG11 . VAL B 2 159 ? 2.552 -4.101 19.736 1.00 19.14 ? 479 VAL H HG11 1 ATOM 3186 H HG12 . VAL B 2 159 ? 1.553 -4.285 20.936 1.00 19.14 ? 479 VAL H HG12 1 ATOM 3187 H HG13 . VAL B 2 159 ? 2.601 -5.410 20.606 1.00 19.14 ? 479 VAL H HG13 1 ATOM 3188 H HG21 . VAL B 2 159 ? 2.284 -5.362 17.682 1.00 18.21 ? 479 VAL H HG21 1 ATOM 3189 H HG22 . VAL B 2 159 ? 2.328 -6.732 18.453 1.00 18.21 ? 479 VAL H HG22 1 ATOM 3190 H HG23 . VAL B 2 159 ? 1.120 -6.403 17.502 1.00 18.21 ? 479 VAL H HG23 1 ATOM 3191 N N . LEU B 2 160 ? -1.801 -6.295 18.599 1.00 10.51 ? 480 LEU H N 1 ATOM 3192 C CA . LEU B 2 160 ? -2.816 -6.738 17.649 1.00 9.45 ? 480 LEU H CA 1 ATOM 3193 C C . LEU B 2 160 ? -2.196 -7.471 16.473 1.00 9.49 ? 480 LEU H C 1 ATOM 3194 O O . LEU B 2 160 ? -1.194 -7.014 15.916 1.00 10.18 ? 480 LEU H O 1 ATOM 3195 C CB . LEU B 2 160 ? -3.575 -5.507 17.158 1.00 9.80 ? 480 LEU H CB 1 ATOM 3196 C CG . LEU B 2 160 ? -4.774 -5.784 16.228 1.00 9.43 ? 480 LEU H CG 1 ATOM 3197 C CD1 . LEU B 2 160 ? -5.872 -6.503 16.974 1.00 9.17 ? 480 LEU H CD1 1 ATOM 3198 C CD2 . LEU B 2 160 ? -5.290 -4.477 15.672 1.00 11.14 ? 480 LEU H CD2 1 ATOM 3199 H H . LEU B 2 160 ? -1.879 -5.469 18.825 1.00 12.59 ? 480 LEU H H 1 ATOM 3200 H HA . LEU B 2 160 ? -3.447 -7.339 18.096 1.00 11.33 ? 480 LEU H HA 1 ATOM 3201 H HB2 . LEU B 2 160 ? -3.913 -5.028 17.931 1.00 11.75 ? 480 LEU H HB2 1 ATOM 3202 H HB3 . LEU B 2 160 ? -2.956 -4.939 16.672 1.00 11.75 ? 480 LEU H HB3 1 ATOM 3203 H HG . LEU B 2 160 ? -4.488 -6.343 15.488 1.00 11.30 ? 480 LEU H HG 1 ATOM 3204 H HD11 . LEU B 2 160 ? -6.604 -6.663 16.374 1.00 10.98 ? 480 LEU H HD11 1 ATOM 3205 H HD12 . LEU B 2 160 ? -5.530 -7.337 17.305 1.00 10.98 ? 480 LEU H HD12 1 ATOM 3206 H HD13 . LEU B 2 160 ? -6.162 -5.954 17.706 1.00 10.98 ? 480 LEU H HD13 1 ATOM 3207 H HD21 . LEU B 2 160 ? -6.035 -4.656 15.094 1.00 13.36 ? 480 LEU H HD21 1 ATOM 3208 H HD22 . LEU B 2 160 ? -5.567 -3.915 16.400 1.00 13.36 ? 480 LEU H HD22 1 ATOM 3209 H HD23 . LEU B 2 160 ? -4.587 -4.049 15.177 1.00 13.36 ? 480 LEU H HD23 1 ATOM 3210 N N . GLN B 2 161 ? -2.773 -8.611 16.097 1.00 8.45 ? 481 GLN H N 1 ATOM 3211 C CA . GLN B 2 161 ? -2.314 -9.413 14.963 1.00 8.45 ? 481 GLN H CA 1 ATOM 3212 C C . GLN B 2 161 ? -3.254 -9.294 13.779 1.00 7.44 ? 481 GLN H C 1 ATOM 3213 O O . GLN B 2 161 ? -4.440 -8.996 13.942 1.00 8.26 ? 481 GLN H O 1 ATOM 3214 C CB . GLN B 2 161 ? -2.213 -10.877 15.372 1.00 8.39 ? 481 GLN H CB 1 ATOM 3215 C CG . GLN B 2 161 ? -1.255 -11.133 16.517 1.00 9.27 ? 481 GLN H CG 1 ATOM 3216 C CD . GLN B 2 161 ? 0.170 -10.923 16.112 1.00 10.07 ? 481 GLN H CD 1 ATOM 3217 O OE1 . GLN B 2 161 ? 0.712 -11.696 15.318 1.00 10.94 ? 481 GLN H OE1 1 ATOM 3218 N NE2 . GLN B 2 161 ? 0.783 -9.879 16.636 1.00 11.98 ? 481 GLN H NE2 1 ATOM 3219 H H . GLN B 2 161 ? -3.454 -8.951 16.497 1.00 10.13 ? 481 GLN H H 1 ATOM 3220 H HA . GLN B 2 161 ? -1.425 -9.107 14.686 1.00 10.13 ? 481 GLN H HA 1 ATOM 3221 H HB2 . GLN B 2 161 ? -3.091 -11.185 15.646 1.00 10.06 ? 481 GLN H HB2 1 ATOM 3222 H HB3 . GLN B 2 161 ? -1.908 -11.393 14.610 1.00 10.06 ? 481 GLN H HB3 1 ATOM 3223 H HG2 . GLN B 2 161 ? -1.456 -10.523 17.243 1.00 11.11 ? 481 GLN H HG2 1 ATOM 3224 H HG3 . GLN B 2 161 ? -1.352 -12.051 16.815 1.00 11.11 ? 481 GLN H HG3 1 ATOM 3225 H HE21 . GLN B 2 161 ? 1.602 -9.716 16.434 1.00 14.36 ? 481 GLN H HE21 1 ATOM 3226 H HE22 . GLN B 2 161 ? 0.362 -9.362 17.180 1.00 14.36 ? 481 GLN H HE22 1 ATOM 3227 N N . VAL B 2 162 ? -2.700 -9.548 12.603 1.00 8.11 ? 482 VAL H N 1 ATOM 3228 C CA . VAL B 2 162 ? -3.443 -9.462 11.353 1.00 8.04 ? 482 VAL H CA 1 ATOM 3229 C C . VAL B 2 162 ? -3.087 -10.652 10.475 1.00 8.38 ? 482 VAL H C 1 ATOM 3230 O O . VAL B 2 162 ? -1.926 -11.064 10.442 1.00 9.29 ? 482 VAL H O 1 ATOM 3231 C CB . VAL B 2 162 ? -3.122 -8.143 10.613 1.00 9.84 ? 482 VAL H CB 1 ATOM 3232 C CG1 . VAL B 2 162 ? -1.635 -7.950 10.334 1.00 12.53 ? 482 VAL H CG1 1 ATOM 3233 C CG2 . VAL B 2 162 ? -3.926 -7.958 9.354 1.00 10.74 ? 482 VAL H CG2 1 ATOM 3234 H H . VAL B 2 162 ? -1.878 -9.777 12.500 1.00 9.72 ? 482 VAL H H 1 ATOM 3235 H HA . VAL B 2 162 ? -4.405 -9.489 11.540 1.00 9.63 ? 482 VAL H HA 1 ATOM 3236 H HB . VAL B 2 162 ? -3.382 -7.411 11.209 1.00 11.79 ? 482 VAL H HB 1 ATOM 3237 H HG11 . VAL B 2 162 ? -1.509 -7.116 9.875 1.00 15.02 ? 482 VAL H HG11 1 ATOM 3238 H HG12 . VAL B 2 162 ? -1.160 -7.941 11.168 1.00 15.02 ? 482 VAL H HG12 1 ATOM 3239 H HG13 . VAL B 2 162 ? -1.323 -8.675 9.787 1.00 15.02 ? 482 VAL H HG13 1 ATOM 3240 H HG21 . VAL B 2 162 ? -3.680 -7.125 8.946 1.00 12.88 ? 482 VAL H HG21 1 ATOM 3241 H HG22 . VAL B 2 162 ? -3.740 -8.684 8.754 1.00 12.88 ? 482 VAL H HG22 1 ATOM 3242 H HG23 . VAL B 2 162 ? -4.860 -7.950 9.578 1.00 12.88 ? 482 VAL H HG23 1 ATOM 3243 N N . VAL B 2 163 ? -4.053 -11.178 9.738 1.00 7.54 ? 483 VAL H N 1 ATOM 3244 C CA . VAL B 2 163 ? -3.787 -12.148 8.699 1.00 8.48 ? 483 VAL H CA 1 ATOM 3245 C C . VAL B 2 163 ? -4.817 -11.972 7.595 1.00 7.39 ? 483 VAL H C 1 ATOM 3246 O O . VAL B 2 163 ? -5.981 -11.653 7.866 1.00 7.69 ? 483 VAL H O 1 ATOM 3247 C CB . VAL B 2 163 ? -3.808 -13.600 9.268 1.00 11.34 ? 483 VAL H CB 1 ATOM 3248 C CG1 . VAL B 2 163 ? -5.211 -14.031 9.712 1.00 11.07 ? 483 VAL H CG1 1 ATOM 3249 C CG2 . VAL B 2 163 ? -3.183 -14.599 8.305 1.00 14.72 ? 483 VAL H CG2 1 ATOM 3250 H H . VAL B 2 163 ? -4.886 -10.983 9.826 1.00 9.04 ? 483 VAL H H 1 ATOM 3251 H HA . VAL B 2 163 ? -2.899 -11.980 8.320 1.00 10.16 ? 483 VAL H HA 1 ATOM 3252 H HB . VAL B 2 163 ? -3.250 -13.606 10.074 1.00 13.59 ? 483 VAL H HB 1 ATOM 3253 H HG11 . VAL B 2 163 ? -5.169 -14.928 10.052 1.00 13.26 ? 483 VAL H HG11 1 ATOM 3254 H HG12 . VAL B 2 163 ? -5.519 -13.434 10.398 1.00 13.26 ? 483 VAL H HG12 1 ATOM 3255 H HG13 . VAL B 2 163 ? -5.803 -13.995 8.956 1.00 13.26 ? 483 VAL H HG13 1 ATOM 3256 H HG21 . VAL B 2 163 ? -3.218 -15.474 8.696 1.00 17.65 ? 483 VAL H HG21 1 ATOM 3257 H HG22 . VAL B 2 163 ? -3.675 -14.588 7.481 1.00 17.65 ? 483 VAL H HG22 1 ATOM 3258 H HG23 . VAL B 2 163 ? -2.270 -14.348 8.145 1.00 17.65 ? 483 VAL H HG23 1 ATOM 3259 N N . ASN B 2 164 ? -4.393 -12.226 6.366 1.00 7.11 ? 484 ASN H N 1 ATOM 3260 C CA . ASN B 2 164 ? -5.270 -12.183 5.206 1.00 7.22 ? 484 ASN H CA 1 ATOM 3261 C C . ASN B 2 164 ? -5.588 -13.624 4.782 1.00 6.42 ? 484 ASN H C 1 ATOM 3262 O O . ASN B 2 164 ? -4.696 -14.455 4.775 1.00 8.12 ? 484 ASN H O 1 ATOM 3263 C CB . ASN B 2 164 ? -4.630 -11.422 4.017 1.00 8.51 ? 484 ASN H CB 1 ATOM 3264 C CG . ASN B 2 164 ? -4.316 -9.979 4.326 1.00 10.22 ? 484 ASN H CG 1 ATOM 3265 O OD1 . ASN B 2 164 ? -5.001 -9.301 5.102 1.00 10.31 ? 484 ASN H OD1 1 ATOM 3266 N ND2 . ASN B 2 164 ? -3.298 -9.476 3.649 1.00 13.78 ? 484 ASN H ND2 1 ATOM 3267 H H . ASN B 2 164 ? -3.580 -12.430 6.174 1.00 8.51 ? 484 ASN H H 1 ATOM 3268 H HA . ASN B 2 164 ? -6.108 -11.737 5.446 1.00 8.65 ? 484 ASN H HA 1 ATOM 3269 H HB2 . ASN B 2 164 ? -3.800 -11.861 3.773 1.00 10.20 ? 484 ASN H HB2 1 ATOM 3270 H HB3 . ASN B 2 164 ? -5.245 -11.438 3.267 1.00 10.20 ? 484 ASN H HB3 1 ATOM 3271 H HD21 . ASN B 2 164 ? -3.061 -8.659 3.773 1.00 16.52 ? 484 ASN H HD21 1 ATOM 3272 H HD22 . ASN B 2 164 ? -2.872 -9.966 3.085 1.00 16.52 ? 484 ASN H HD22 1 ATOM 3273 N N . LEU B 2 165 ? -6.852 -13.914 4.461 1.00 6.04 ? 485 LEU H N 1 ATOM 3274 C CA . LEU B 2 165 ? -7.283 -15.268 4.197 1.00 6.58 ? 485 LEU H CA 1 ATOM 3275 C C . LEU B 2 165 ? -8.283 -15.275 3.054 1.00 5.87 ? 485 LEU H C 1 ATOM 3276 O O . LEU B 2 165 ? -9.145 -14.392 2.981 1.00 6.31 ? 485 LEU H O 1 ATOM 3277 C CB . LEU B 2 165 ? -7.964 -15.885 5.431 1.00 7.37 ? 485 LEU H CB 1 ATOM 3278 C CG . LEU B 2 165 ? -7.097 -15.988 6.670 1.00 8.52 ? 485 LEU H CG 1 ATOM 3279 C CD1 . LEU B 2 165 ? -7.940 -16.388 7.867 1.00 11.01 ? 485 LEU H CD1 1 ATOM 3280 C CD2 . LEU B 2 165 ? -5.949 -16.967 6.462 1.00 11.13 ? 485 LEU H CD2 1 ATOM 3281 H H . LEU B 2 165 ? -7.479 -13.330 4.391 1.00 7.23 ? 485 LEU H H 1 ATOM 3282 H HA . LEU B 2 165 ? -6.513 -15.822 3.949 1.00 7.88 ? 485 LEU H HA 1 ATOM 3283 H HB2 . LEU B 2 165 ? -8.735 -15.342 5.660 1.00 8.83 ? 485 LEU H HB2 1 ATOM 3284 H HB3 . LEU B 2 165 ? -8.256 -16.782 5.205 1.00 8.83 ? 485 LEU H HB3 1 ATOM 3285 H HG . LEU B 2 165 ? -6.714 -15.117 6.855 1.00 10.21 ? 485 LEU H HG 1 ATOM 3286 H HD11 . LEU B 2 165 ? -7.374 -16.448 8.640 1.00 13.20 ? 485 LEU H HD11 1 ATOM 3287 H HD12 . LEU B 2 165 ? -8.618 -15.723 8.007 1.00 13.20 ? 485 LEU H HD12 1 ATOM 3288 H HD13 . LEU B 2 165 ? -8.347 -17.239 7.692 1.00 13.20 ? 485 LEU H HD13 1 ATOM 3289 H HD21 . LEU B 2 165 ? -5.423 -17.006 7.265 1.00 13.34 ? 485 LEU H HD21 1 ATOM 3290 H HD22 . LEU B 2 165 ? -6.310 -17.835 6.264 1.00 13.34 ? 485 LEU H HD22 1 ATOM 3291 H HD23 . LEU B 2 165 ? -5.407 -16.663 5.730 1.00 13.34 ? 485 LEU H HD23 1 ATOM 3292 N N . PRO B 2 166 ? -8.242 -16.296 2.196 1.00 6.44 ? 486 PRO H N 1 ATOM 3293 C CA . PRO B 2 166 ? -9.205 -16.386 1.101 1.00 6.30 ? 486 PRO H CA 1 ATOM 3294 C C . PRO B 2 166 ? -10.535 -16.966 1.548 1.00 6.39 ? 486 PRO H C 1 ATOM 3295 O O . PRO B 2 166 ? -10.611 -17.898 2.340 1.00 6.85 ? 486 PRO H O 1 ATOM 3296 C CB . PRO B 2 166 ? -8.525 -17.346 0.114 1.00 7.43 ? 486 PRO H CB 1 ATOM 3297 C CG . PRO B 2 166 ? -7.704 -18.264 0.992 1.00 7.91 ? 486 PRO H CG 1 ATOM 3298 C CD . PRO B 2 166 ? -7.216 -17.360 2.128 1.00 7.65 ? 486 PRO H CD 1 ATOM 3299 H HA . PRO B 2 166 ? -9.342 -15.512 0.680 1.00 7.54 ? 486 PRO H HA 1 ATOM 3300 H HB2 . PRO B 2 166 ? -9.197 -17.845 -0.375 1.00 8.90 ? 486 PRO H HB2 1 ATOM 3301 H HB3 . PRO B 2 166 ? -7.955 -16.846 -0.491 1.00 8.90 ? 486 PRO H HB3 1 ATOM 3302 H HG2 . PRO B 2 166 ? -8.263 -18.979 1.335 1.00 9.47 ? 486 PRO H HG2 1 ATOM 3303 H HG3 . PRO B 2 166 ? -6.956 -18.620 0.487 1.00 9.47 ? 486 PRO H HG3 1 ATOM 3304 H HD2 . PRO B 2 166 ? -7.186 -17.854 2.962 1.00 9.17 ? 486 PRO H HD2 1 ATOM 3305 H HD3 . PRO B 2 166 ? -6.351 -16.980 1.909 1.00 9.17 ? 486 PRO H HD3 1 ATOM 3306 N N . ILE B 2 167 ? -11.594 -16.437 0.960 1.00 6.51 ? 487 ILE H N 1 ATOM 3307 C CA A ILE B 2 167 ? -12.926 -17.007 1.101 0.78 5.60 ? 487 ILE H CA 1 ATOM 3308 C CA B ILE B 2 167 ? -12.935 -17.003 1.080 0.22 6.95 ? 487 ILE H CA 1 ATOM 3309 C C . ILE B 2 167 ? -12.959 -18.363 0.387 1.00 7.00 ? 487 ILE H C 1 ATOM 3310 O O . ILE B 2 167 ? -12.363 -18.518 -0.681 1.00 7.38 ? 487 ILE H O 1 ATOM 3311 C CB A ILE B 2 167 ? -13.944 -16.028 0.496 0.78 7.37 ? 487 ILE H CB 1 ATOM 3312 C CB B ILE B 2 167 ? -13.977 -16.094 0.395 0.22 8.24 ? 487 ILE H CB 1 ATOM 3313 C CG1 A ILE B 2 167 ? -13.952 -14.721 1.319 0.78 8.52 ? 487 ILE H CG1 1 ATOM 3314 C CG1 B ILE B 2 167 ? -13.935 -14.675 0.974 0.22 8.58 ? 487 ILE H CG1 1 ATOM 3315 C CG2 A ILE B 2 167 ? -15.355 -16.613 0.478 0.78 8.14 ? 487 ILE H CG2 1 ATOM 3316 C CG2 B ILE B 2 167 ? -15.380 -16.673 0.546 0.22 8.71 ? 487 ILE H CG2 1 ATOM 3317 C CD1 A ILE B 2 167 ? -14.532 -13.549 0.573 0.78 11.06 ? 487 ILE H CD1 1 ATOM 3318 C CD1 B ILE B 2 167 ? -14.473 -14.578 2.365 0.22 8.58 ? 487 ILE H CD1 1 ATOM 3319 H H . ILE B 2 167 ? -11.569 -15.735 0.464 1.00 7.80 ? 487 ILE H H 1 ATOM 3320 H HA A ILE B 2 167 ? -13.136 -17.140 2.049 0.78 6.71 ? 487 ILE H HA 1 ATOM 3321 H HA B ILE B 2 167 ? -13.174 -17.116 2.024 0.22 8.32 ? 487 ILE H HA 1 ATOM 3322 H HB A ILE B 2 167 ? -13.679 -15.823 -0.414 0.78 8.83 ? 487 ILE H HB 1 ATOM 3323 H HB B ILE B 2 167 ? -13.766 -16.046 -0.551 0.22 9.88 ? 487 ILE H HB 1 ATOM 3324 H HG12 A ILE B 2 167 ? -14.483 -14.858 2.119 0.78 10.21 ? 487 ILE H HG12 1 ATOM 3325 H HG12 B ILE B 2 167 ? -13.014 -14.370 0.990 0.22 10.28 ? 487 ILE H HG12 1 ATOM 3326 H HG13 A ILE B 2 167 ? -13.040 -14.498 1.563 0.78 10.21 ? 487 ILE H HG13 1 ATOM 3327 H HG13 B ILE B 2 167 ? -14.465 -14.090 0.409 0.22 10.28 ? 487 ILE H HG13 1 ATOM 3328 H HG21 A ILE B 2 167 ? -15.955 -15.970 0.094 0.78 9.75 ? 487 ILE H HG21 1 ATOM 3329 H HG21 B ILE B 2 167 ? -16.007 -16.090 0.112 0.22 10.44 ? 487 ILE H HG21 1 ATOM 3330 H HG22 A ILE B 2 167 ? -15.353 -17.416 -0.049 0.78 9.75 ? 487 ILE H HG22 1 ATOM 3331 H HG22 B ILE B 2 167 ? -15.405 -17.542 0.139 0.22 10.44 ? 487 ILE H HG22 1 ATOM 3332 H HG23 A ILE B 2 167 ? -15.621 -16.813 1.379 0.78 9.75 ? 487 ILE H HG23 1 ATOM 3333 H HG23 B ILE B 2 167 ? -15.590 -16.743 1.480 0.22 10.44 ? 487 ILE H HG23 1 ATOM 3334 H HD11 A ILE B 2 167 ? -14.506 -12.775 1.140 0.78 13.26 ? 487 ILE H HD11 1 ATOM 3335 H HD11 B ILE B 2 167 ? -14.414 -13.666 2.659 0.22 10.28 ? 487 ILE H HD11 1 ATOM 3336 H HD12 A ILE B 2 167 ? -14.010 -13.394 -0.218 0.78 13.26 ? 487 ILE H HD12 1 ATOM 3337 H HD12 B ILE B 2 167 ? -15.389 -14.865 2.366 0.22 10.28 ? 487 ILE H HD12 1 ATOM 3338 H HD13 A ILE B 2 167 ? -15.439 -13.750 0.333 0.78 13.26 ? 487 ILE H HD13 1 ATOM 3339 H HD13 B ILE B 2 167 ? -13.952 -15.142 2.941 0.22 10.28 ? 487 ILE H HD13 1 ATOM 3340 N N . VAL B 2 168 ? -13.652 -19.330 0.981 1.00 6.81 ? 488 VAL H N 1 ATOM 3341 C CA . VAL B 2 168 ? -13.707 -20.701 0.489 1.00 7.89 ? 488 VAL H CA 1 ATOM 3342 C C . VAL B 2 168 ? -15.089 -21.023 -0.088 1.00 7.62 ? 488 VAL H C 1 ATOM 3343 O O . VAL B 2 168 ? -16.108 -20.543 0.398 1.00 8.45 ? 488 VAL H O 1 ATOM 3344 C CB . VAL B 2 168 ? -13.283 -21.653 1.616 1.00 8.10 ? 488 VAL H CB 1 ATOM 3345 C CG1 . VAL B 2 168 ? -13.507 -23.110 1.266 1.00 9.38 ? 488 VAL H CG1 1 ATOM 3346 C CG2 . VAL B 2 168 ? -11.839 -21.392 1.972 1.00 8.89 ? 488 VAL H CG2 1 ATOM 3347 H H . VAL B 2 168 ? -14.115 -19.210 1.696 1.00 8.16 ? 488 VAL H H 1 ATOM 3348 H HA . VAL B 2 168 ? -13.056 -20.797 -0.238 1.00 9.45 ? 488 VAL H HA 1 ATOM 3349 H HB . VAL B 2 168 ? -13.822 -21.455 2.410 1.00 9.70 ? 488 VAL H HB 1 ATOM 3350 H HG11 . VAL B 2 168 ? -13.225 -23.656 2.003 1.00 11.25 ? 488 VAL H HG11 1 ATOM 3351 H HG12 . VAL B 2 168 ? -14.441 -23.249 1.093 1.00 11.25 ? 488 VAL H HG12 1 ATOM 3352 H HG13 . VAL B 2 168 ? -12.994 -23.325 0.484 1.00 11.25 ? 488 VAL H HG13 1 ATOM 3353 H HG21 . VAL B 2 168 ? -11.578 -21.989 2.677 1.00 10.65 ? 488 VAL H HG21 1 ATOM 3354 H HG22 . VAL B 2 168 ? -11.294 -21.543 1.196 1.00 10.65 ? 488 VAL H HG22 1 ATOM 3355 H HG23 . VAL B 2 168 ? -11.749 -20.482 2.264 1.00 10.65 ? 488 VAL H HG23 1 ATOM 3356 N N . GLU B 2 169 ? -15.117 -21.856 -1.130 1.00 8.16 ? 489 GLU H N 1 ATOM 3357 C CA . GLU B 2 169 ? -16.347 -22.334 -1.751 1.00 9.44 ? 489 GLU H CA 1 ATOM 3358 C C . GLU B 2 169 ? -17.229 -23.023 -0.733 1.00 8.37 ? 489 GLU H C 1 ATOM 3359 O O . GLU B 2 169 ? -16.768 -23.833 0.051 1.00 9.55 ? 489 GLU H O 1 ATOM 3360 C CB . GLU B 2 169 ? -15.995 -23.342 -2.877 1.00 13.42 ? 489 GLU H CB 1 ATOM 3361 C CG . GLU B 2 169 ? -15.214 -22.772 -4.038 1.00 15.93 ? 489 GLU H CG 1 ATOM 3362 C CD . GLU B 2 169 ? -13.691 -22.706 -3.848 1.00 18.45 ? 489 GLU H CD 1 ATOM 3363 O OE1 . GLU B 2 169 ? -13.121 -22.922 -2.719 1.00 16.84 ? 489 GLU H OE1 1 ATOM 3364 O OE2 . GLU B 2 169 ? -13.047 -22.426 -4.894 1.00 21.37 ? 489 GLU H OE2 1 ATOM 3365 H H . GLU B 2 169 ? -14.409 -22.166 -1.505 1.00 9.78 ? 489 GLU H H 1 ATOM 3366 H HA . GLU B 2 169 ? -16.839 -21.582 -2.140 1.00 11.32 ? 489 GLU H HA 1 ATOM 3367 H HB2 . GLU B 2 169 ? -15.464 -24.058 -2.493 1.00 16.09 ? 489 GLU H HB2 1 ATOM 3368 H HB3 . GLU B 2 169 ? -16.821 -23.707 -3.232 1.00 16.09 ? 489 GLU H HB3 1 ATOM 3369 H HG2 . GLU B 2 169 ? -15.386 -23.319 -4.821 1.00 19.10 ? 489 GLU H HG2 1 ATOM 3370 H HG3 . GLU B 2 169 ? -15.526 -21.868 -4.202 1.00 19.10 ? 489 GLU H HG3 1 ATOM 3371 N N . ARG B 2 170 ? -18.520 -22.738 -0.790 1.00 9.30 ? 490 ARG H N 1 ATOM 3372 C CA . ARG B 2 170 ? -19.432 -23.295 0.194 1.00 9.68 ? 490 ARG H CA 1 ATOM 3373 C C . ARG B 2 170 ? -19.389 -24.830 0.280 1.00 10.08 ? 490 ARG H C 1 ATOM 3374 O O . ARG B 2 170 ? -19.439 -25.363 1.377 1.00 10.78 ? 490 ARG H O 1 ATOM 3375 C CB . ARG B 2 170 ? -20.851 -22.762 -0.003 1.00 10.84 ? 490 ARG H CB 1 ATOM 3376 C CG . ARG B 2 170 ? -21.820 -23.191 1.129 1.00 12.17 ? 490 ARG H CG 1 ATOM 3377 C CD . ARG B 2 170 ? -23.174 -22.429 1.084 1.00 12.80 ? 490 ARG H CD 1 ATOM 3378 N NE . ARG B 2 170 ? -22.941 -21.005 1.349 1.00 11.62 ? 490 ARG H NE 1 ATOM 3379 C CZ . ARG B 2 170 ? -22.804 -20.442 2.552 1.00 11.49 ? 490 ARG H CZ 1 ATOM 3380 N NH1 . ARG B 2 170 ? -22.961 -21.159 3.643 1.00 11.71 ? 490 ARG H NH1 1 ATOM 3381 N NH2 . ARG B 2 170 ? -22.526 -19.147 2.665 1.00 13.35 ? 490 ARG H NH2 1 ATOM 3382 H H . ARG B 2 170 ? -18.890 -22.233 -1.379 1.00 11.14 ? 490 ARG H H 1 ATOM 3383 H HA . ARG B 2 170 ? -19.140 -22.968 1.071 1.00 11.60 ? 490 ARG H HA 1 ATOM 3384 H HB2 . ARG B 2 170 ? -20.824 -21.793 -0.023 1.00 12.99 ? 490 ARG H HB2 1 ATOM 3385 H HB3 . ARG B 2 170 ? -21.201 -23.101 -0.842 1.00 12.99 ? 490 ARG H HB3 1 ATOM 3386 H HG2 . ARG B 2 170 ? -22.006 -24.139 1.044 1.00 14.59 ? 490 ARG H HG2 1 ATOM 3387 H HG3 . ARG B 2 170 ? -21.403 -23.011 1.987 1.00 14.59 ? 490 ARG H HG3 1 ATOM 3388 H HD2 . ARG B 2 170 ? -23.571 -22.520 0.203 1.00 15.35 ? 490 ARG H HD2 1 ATOM 3389 H HD3 . ARG B 2 170 ? -23.769 -22.779 1.765 1.00 15.35 ? 490 ARG H HD3 1 ATOM 3390 H HE . ARG B 2 170 ? -22.887 -20.484 0.667 1.00 13.93 ? 490 ARG H HE 1 ATOM 3391 H HH11 . ARG B 2 170 ? -23.125 -22.001 3.584 1.00 14.04 ? 490 ARG H HH11 1 ATOM 3392 H HH12 . ARG B 2 170 ? -22.884 -20.788 4.415 1.00 14.04 ? 490 ARG H HH12 1 ATOM 3393 H HH21 . ARG B 2 170 ? -22.439 -18.663 1.960 1.00 16.00 ? 490 ARG H HH21 1 ATOM 3394 H HH22 . ARG B 2 170 ? -22.473 -18.785 3.444 1.00 16.00 ? 490 ARG H HH22 1 ATOM 3395 N N . PRO B 2 171 ? -19.336 -25.577 -0.854 1.00 10.80 ? 491 PRO H N 1 ATOM 3396 C CA . PRO B 2 171 ? -19.298 -27.042 -0.727 1.00 12.21 ? 491 PRO H CA 1 ATOM 3397 C C . PRO B 2 171 ? -18.066 -27.495 0.039 1.00 11.67 ? 491 PRO H C 1 ATOM 3398 O O . PRO B 2 171 ? -18.140 -28.504 0.751 1.00 12.36 ? 491 PRO H O 1 ATOM 3399 C CB . PRO B 2 171 ? -19.290 -27.541 -2.174 1.00 13.75 ? 491 PRO H CB 1 ATOM 3400 C CG . PRO B 2 171 ? -19.986 -26.437 -2.939 1.00 15.73 ? 491 PRO H CG 1 ATOM 3401 C CD . PRO B 2 171 ? -19.562 -25.144 -2.243 1.00 12.26 ? 491 PRO H CD 1 ATOM 3402 H HA . PRO B 2 171 ? -20.104 -27.368 -0.274 1.00 14.64 ? 491 PRO H HA 1 ATOM 3403 H HB2 . PRO B 2 171 ? -18.377 -27.653 -2.480 1.00 16.49 ? 491 PRO H HB2 1 ATOM 3404 H HB3 . PRO B 2 171 ? -19.784 -28.373 -2.240 1.00 16.49 ? 491 PRO H HB3 1 ATOM 3405 H HG2 . PRO B 2 171 ? -19.690 -26.442 -3.862 1.00 18.86 ? 491 PRO H HG2 1 ATOM 3406 H HG3 . PRO B 2 171 ? -20.947 -26.557 -2.884 1.00 18.86 ? 491 PRO H HG3 1 ATOM 3407 H HD2 . PRO B 2 171 ? -18.741 -24.803 -2.630 1.00 14.69 ? 491 PRO H HD2 1 ATOM 3408 H HD3 . PRO B 2 171 ? -20.275 -24.488 -2.282 1.00 14.69 ? 491 PRO H HD3 1 ATOM 3409 N N . VAL B 2 172 ? -16.935 -26.810 -0.136 1.00 10.97 ? 492 VAL H N 1 ATOM 3410 C CA . VAL B 2 172 ? -15.726 -27.179 0.611 1.00 11.01 ? 492 VAL H CA 1 ATOM 3411 C C . VAL B 2 172 ? -15.937 -26.895 2.117 1.00 10.01 ? 492 VAL H C 1 ATOM 3412 O O . VAL B 2 172 ? -15.588 -27.693 2.988 1.00 11.71 ? 492 VAL H O 1 ATOM 3413 C CB . VAL B 2 172 ? -14.480 -26.463 0.034 1.00 11.83 ? 492 VAL H CB 1 ATOM 3414 C CG1 . VAL B 2 172 ? -13.269 -26.704 0.932 1.00 13.08 ? 492 VAL H CG1 1 ATOM 3415 C CG2 . VAL B 2 172 ? -14.238 -26.907 -1.413 1.00 13.32 ? 492 VAL H CG2 1 ATOM 3416 H H . VAL B 2 172 ? -16.839 -26.141 -0.669 1.00 13.14 ? 492 VAL H H 1 ATOM 3417 H HA . VAL B 2 172 ? -15.583 -28.144 0.511 1.00 13.19 ? 492 VAL H HA 1 ATOM 3418 H HB . VAL B 2 172 ? -14.652 -25.498 0.022 1.00 14.19 ? 492 VAL H HB 1 ATOM 3419 H HG11 . VAL B 2 172 ? -12.509 -26.253 0.558 1.00 15.68 ? 492 VAL H HG11 1 ATOM 3420 H HG12 . VAL B 2 172 ? -13.457 -26.360 1.808 1.00 15.68 ? 492 VAL H HG12 1 ATOM 3421 H HG13 . VAL B 2 172 ? -13.100 -27.648 0.980 1.00 15.68 ? 492 VAL H HG13 1 ATOM 3422 H HG21 . VAL B 2 172 ? -13.463 -26.454 -1.753 1.00 15.97 ? 492 VAL H HG21 1 ATOM 3423 H HG22 . VAL B 2 172 ? -14.095 -27.856 -1.428 1.00 15.97 ? 492 VAL H HG22 1 ATOM 3424 H HG23 . VAL B 2 172 ? -15.007 -26.683 -1.942 1.00 15.97 ? 492 VAL H HG23 1 ATOM 3425 N N . CYS B 2 173 ? -16.502 -25.730 2.439 1.00 9.91 ? 493 CYS H N 1 ATOM 3426 C CA . CYS B 2 173 ? -16.827 -25.399 3.828 1.00 10.09 ? 493 CYS H CA 1 ATOM 3427 C C . CYS B 2 173 ? -17.730 -26.490 4.414 1.00 9.75 ? 493 CYS H C 1 ATOM 3428 O O . CYS B 2 173 ? -17.482 -27.016 5.507 1.00 10.38 ? 493 CYS H O 1 ATOM 3429 C CB . CYS B 2 173 ? -17.553 -24.026 3.920 1.00 10.37 ? 493 CYS H CB 1 ATOM 3430 S SG . CYS B 2 173 ? -16.597 -22.631 3.351 1.00 10.20 ? 493 CYS H SG 1 ATOM 3431 H H . CYS B 2 173 ? -16.707 -25.116 1.873 1.00 11.88 ? 493 CYS H H 1 ATOM 3432 H HA . CYS B 2 173 ? -16.004 -25.355 4.358 1.00 12.09 ? 493 CYS H HA 1 ATOM 3433 H HB2 . CYS B 2 173 ? -18.359 -24.067 3.383 1.00 12.42 ? 493 CYS H HB2 1 ATOM 3434 H HB3 . CYS B 2 173 ? -17.787 -23.862 4.847 1.00 12.42 ? 493 CYS H HB3 1 ATOM 3435 N N . LYS B 2 174 ? -18.762 -26.855 3.668 1.00 10.27 ? 494 LYS H N 1 ATOM 3436 C CA . LYS B 2 174 ? -19.727 -27.821 4.152 1.00 11.83 ? 494 LYS H CA 1 ATOM 3437 C C . LYS B 2 174 ? -19.087 -29.189 4.402 1.00 12.05 ? 494 LYS H C 1 ATOM 3438 O O . LYS B 2 174 ? -19.360 -29.829 5.429 1.00 13.02 ? 494 LYS H O 1 ATOM 3439 C CB . LYS B 2 174 ? -20.893 -27.912 3.169 1.00 13.12 ? 494 LYS H CB 1 ATOM 3440 C CG . LYS B 2 174 ? -22.031 -28.783 3.638 1.00 19.17 ? 494 LYS H CG 1 ATOM 3441 C CD . LYS B 2 174 ? -23.250 -28.711 2.695 1.00 25.46 ? 494 LYS H CD 1 ATOM 3442 C CE . LYS B 2 174 ? -24.184 -27.578 3.089 1.00 32.66 ? 494 LYS H CE 1 ATOM 3443 N NZ . LYS B 2 174 ? -23.857 -26.280 2.450 1.00 37.41 ? 494 LYS H NZ 1 ATOM 3444 H H . LYS B 2 174 ? -18.924 -26.557 2.878 1.00 12.31 ? 494 LYS H H 1 ATOM 3445 H HA . LYS B 2 174 ? -20.085 -27.503 5.007 1.00 14.18 ? 494 LYS H HA 1 ATOM 3446 H HB2 . LYS B 2 174 ? -21.245 -27.021 3.020 1.00 15.72 ? 494 LYS H HB2 1 ATOM 3447 H HB3 . LYS B 2 174 ? -20.566 -28.279 2.332 1.00 15.72 ? 494 LYS H HB3 1 ATOM 3448 H HG2 . LYS B 2 174 ? -21.732 -29.705 3.673 1.00 22.98 ? 494 LYS H HG2 1 ATOM 3449 H HG3 . LYS B 2 174 ? -22.313 -28.490 4.518 1.00 22.98 ? 494 LYS H HG3 1 ATOM 3450 H HD2 . LYS B 2 174 ? -22.946 -28.553 1.788 1.00 30.54 ? 494 LYS H HD2 1 ATOM 3451 H HD3 . LYS B 2 174 ? -23.744 -29.544 2.744 1.00 30.54 ? 494 LYS H HD3 1 ATOM 3452 H HE2 . LYS B 2 174 ? -25.089 -27.816 2.830 1.00 39.18 ? 494 LYS H HE2 1 ATOM 3453 H HE3 . LYS B 2 174 ? -24.138 -27.456 4.050 1.00 39.18 ? 494 LYS H HE3 1 ATOM 3454 H HZ1 . LYS B 2 174 ? -23.034 -26.028 2.677 1.00 44.88 ? 494 LYS H HZ1 1 ATOM 3455 H HZ2 . LYS B 2 174 ? -23.901 -26.357 1.564 1.00 44.88 ? 494 LYS H HZ2 1 ATOM 3456 H HZ3 . LYS B 2 174 ? -24.433 -25.656 2.715 1.00 44.88 ? 494 LYS H HZ3 1 ATOM 3457 N N . ASP B 2 175 ? -18.259 -29.658 3.464 1.00 11.99 ? 495 ASP H N 1 ATOM 3458 C CA . ASP B 2 175 ? -17.675 -30.983 3.589 1.00 13.65 ? 495 ASP H CA 1 ATOM 3459 C C . ASP B 2 175 ? -16.575 -31.035 4.667 1.00 13.19 ? 495 ASP H C 1 ATOM 3460 O O . ASP B 2 175 ? -16.164 -32.106 5.075 1.00 15.07 ? 495 ASP H O 1 ATOM 3461 C CB . ASP B 2 175 ? -17.133 -31.432 2.233 1.00 17.18 ? 495 ASP H CB 1 ATOM 3462 C CG . ASP B 2 175 ? -18.240 -31.716 1.227 1.00 24.79 ? 495 ASP H CG 1 ATOM 3463 O OD1 . ASP B 2 175 ? -19.398 -31.906 1.659 1.00 27.47 ? 495 ASP H OD1 1 ATOM 3464 O OD2 . ASP B 2 175 ? -17.951 -31.747 0.006 1.00 26.71 ? 495 ASP H OD2 1 ATOM 3465 H H . ASP B 2 175 ? -18.025 -29.230 2.756 1.00 14.37 ? 495 ASP H H 1 ATOM 3466 H HA . ASP B 2 175 ? -18.379 -31.612 3.851 1.00 16.36 ? 495 ASP H HA 1 ATOM 3467 H HB2 . ASP B 2 175 ? -16.569 -30.732 1.869 1.00 20.60 ? 495 ASP H HB2 1 ATOM 3468 H HB3 . ASP B 2 175 ? -16.619 -32.246 2.351 1.00 20.60 ? 495 ASP H HB3 1 ATOM 3469 N N . SER B 2 176 ? -16.117 -29.887 5.153 1.00 11.40 ? 496 SER H N 1 ATOM 3470 C CA . SER B 2 176 ? -15.017 -29.837 6.108 1.00 11.65 ? 496 SER H CA 1 ATOM 3471 C C . SER B 2 176 ? -15.459 -30.103 7.543 1.00 11.49 ? 496 SER H C 1 ATOM 3472 O O . SER B 2 176 ? -14.603 -30.209 8.409 1.00 12.16 ? 496 SER H O 1 ATOM 3473 C CB . SER B 2 176 ? -14.314 -28.481 6.046 1.00 10.88 ? 496 SER H CB 1 ATOM 3474 O OG . SER B 2 176 ? -15.085 -27.449 6.678 1.00 10.81 ? 496 SER H OG 1 ATOM 3475 H H . SER B 2 176 ? -16.430 -29.114 4.943 1.00 13.67 ? 496 SER H H 1 ATOM 3476 H HA . SER B 2 176 ? -14.361 -30.524 5.866 1.00 13.96 ? 496 SER H HA 1 ATOM 3477 H HB2 . SER B 2 176 ? -13.458 -28.552 6.497 1.00 13.04 ? 496 SER H HB2 1 ATOM 3478 H HB3 . SER B 2 176 ? -14.177 -28.243 5.116 1.00 13.04 ? 496 SER H HB3 1 ATOM 3479 H HG . SER B 2 176 ? -15.784 -27.761 6.972 1.00 12.96 ? 496 SER H HG 1 ATOM 3480 N N . THR B 2 177 ? -16.762 -30.131 7.798 1.00 11.24 ? 497 THR H N 1 ATOM 3481 C CA . THR B 2 177 ? -17.258 -30.170 9.161 1.00 11.68 ? 497 THR H CA 1 ATOM 3482 C C . THR B 2 177 ? -18.597 -30.901 9.218 1.00 12.16 ? 497 THR H C 1 ATOM 3483 O O . THR B 2 177 ? -19.352 -30.918 8.234 1.00 13.01 ? 497 THR H O 1 ATOM 3484 C CB . THR B 2 177 ? -17.438 -28.718 9.707 1.00 11.52 ? 497 THR H CB 1 ATOM 3485 O OG1 . THR B 2 177 ? -17.916 -28.763 11.059 1.00 12.06 ? 497 THR H OG1 1 ATOM 3486 C CG2 . THR B 2 177 ? -18.448 -27.928 8.873 1.00 11.80 ? 497 THR H CG2 1 ATOM 3487 H H . THR B 2 177 ? -17.378 -30.128 7.198 1.00 13.47 ? 497 THR H H 1 ATOM 3488 H HA . THR B 2 177 ? -16.617 -30.643 9.731 1.00 14.01 ? 497 THR H HA 1 ATOM 3489 H HB . THR B 2 177 ? -16.587 -28.254 9.681 1.00 13.81 ? 497 THR H HB 1 ATOM 3490 H HG1 . THR B 2 177 ? -17.380 -29.163 11.533 1.00 14.45 ? 497 THR H HG1 1 ATOM 3491 H HG21 . THR B 2 177 ? -18.543 -27.041 9.226 1.00 14.14 ? 497 THR H HG21 1 ATOM 3492 H HG22 . THR B 2 177 ? -18.148 -27.872 7.962 1.00 14.14 ? 497 THR H HG22 1 ATOM 3493 H HG23 . THR B 2 177 ? -19.303 -28.365 8.893 1.00 14.14 ? 497 THR H HG23 1 ATOM 3494 N N . ARG B 2 178 ? -18.926 -31.441 10.390 1.00 13.03 ? 498 ARG H N 1 ATOM 3495 C CA . ARG B 2 178 ? -20.259 -32.007 10.584 1.00 14.74 ? 498 ARG H CA 1 ATOM 3496 C C . ARG B 2 178 ? -21.256 -31.020 11.148 1.00 14.55 ? 498 ARG H C 1 ATOM 3497 O O . ARG B 2 178 ? -22.438 -31.316 11.203 1.00 16.38 ? 498 ARG H O 1 ATOM 3498 C CB . ARG B 2 178 ? -20.178 -33.228 11.496 1.00 17.60 ? 498 ARG H CB 1 ATOM 3499 C CG . ARG B 2 178 ? -19.361 -34.346 10.927 1.00 23.76 ? 498 ARG H CG 1 ATOM 3500 C CD . ARG B 2 178 ? -19.793 -34.728 9.501 1.00 32.06 ? 498 ARG H CD 1 ATOM 3501 N NE . ARG B 2 178 ? -19.224 -36.009 9.059 1.00 40.33 ? 498 ARG H NE 1 ATOM 3502 C CZ . ARG B 2 178 ? -19.573 -36.642 7.935 1.00 43.61 ? 498 ARG H CZ 1 ATOM 3503 N NH1 . ARG B 2 178 ? -19.001 -37.800 7.612 1.00 43.47 ? 498 ARG H NH1 1 ATOM 3504 N NH2 . ARG B 2 178 ? -20.501 -36.121 7.132 1.00 45.70 ? 498 ARG H NH2 1 ATOM 3505 H H . ARG B 2 178 ? -18.408 -31.492 11.075 1.00 15.62 ? 498 ARG H H 1 ATOM 3506 H HA . ARG B 2 178 ? -20.599 -32.308 9.716 1.00 17.67 ? 498 ARG H HA 1 ATOM 3507 H HB2 . ARG B 2 178 ? -19.775 -32.963 12.338 1.00 21.11 ? 498 ARG H HB2 1 ATOM 3508 H HB3 . ARG B 2 178 ? -21.074 -33.563 11.650 1.00 21.11 ? 498 ARG H HB3 1 ATOM 3509 H HG2 . ARG B 2 178 ? -18.430 -34.074 10.896 1.00 28.50 ? 498 ARG H HG2 1 ATOM 3510 H HG3 . ARG B 2 178 ? -19.460 -35.129 11.491 1.00 28.50 ? 498 ARG H HG3 1 ATOM 3511 H HD2 . ARG B 2 178 ? -20.759 -34.803 9.473 1.00 38.46 ? 498 ARG H HD2 1 ATOM 3512 H HD3 . ARG B 2 178 ? -19.496 -34.039 8.885 1.00 38.46 ? 498 ARG H HD3 1 ATOM 3513 H HE . ARG B 2 178 ? -18.626 -36.375 9.557 1.00 48.38 ? 498 ARG H HE 1 ATOM 3514 H HH11 . ARG B 2 178 ? -18.403 -38.143 8.126 1.00 52.15 ? 498 ARG H HH11 1 ATOM 3515 H HH12 . ARG B 2 178 ? -19.231 -38.206 6.889 1.00 52.15 ? 498 ARG H HH12 1 ATOM 3516 H HH21 . ARG B 2 178 ? -20.874 -35.373 7.335 1.00 54.82 ? 498 ARG H HH21 1 ATOM 3517 H HH22 . ARG B 2 178 ? -20.725 -36.532 6.410 1.00 54.82 ? 498 ARG H HH22 1 ATOM 3518 N N . ILE B 2 179 ? -20.801 -29.854 11.589 1.00 12.70 ? 499 ILE H N 1 ATOM 3519 C CA . ILE B 2 179 ? -21.715 -28.806 12.049 1.00 12.17 ? 499 ILE H CA 1 ATOM 3520 C C . ILE B 2 179 ? -22.607 -28.413 10.878 1.00 10.90 ? 499 ILE H C 1 ATOM 3521 O O . ILE B 2 179 ? -22.133 -28.301 9.745 1.00 11.75 ? 499 ILE H O 1 ATOM 3522 C CB . ILE B 2 179 ? -20.945 -27.556 12.580 1.00 12.43 ? 499 ILE H CB 1 ATOM 3523 C CG1 . ILE B 2 179 ? -20.123 -27.903 13.810 1.00 17.17 ? 499 ILE H CG1 1 ATOM 3524 C CG2 . ILE B 2 179 ? -21.904 -26.391 12.845 1.00 13.74 ? 499 ILE H CG2 1 ATOM 3525 C CD1 . ILE B 2 179 ? -20.941 -28.192 15.008 1.00 18.77 ? 499 ILE H CD1 1 ATOM 3526 H H . ILE B 2 179 ? -19.969 -29.641 11.633 1.00 15.23 ? 499 ILE H H 1 ATOM 3527 H HA . ILE B 2 179 ? -22.280 -29.155 12.770 1.00 14.59 ? 499 ILE H HA 1 ATOM 3528 H HB . ILE B 2 179 ? -20.329 -27.275 11.885 1.00 14.90 ? 499 ILE H HB 1 ATOM 3529 H HG12 . ILE B 2 179 ? -19.589 -28.689 13.618 1.00 20.59 ? 499 ILE H HG12 1 ATOM 3530 H HG13 . ILE B 2 179 ? -19.542 -27.154 14.020 1.00 20.59 ? 499 ILE H HG13 1 ATOM 3531 H HG21 . ILE B 2 179 ? -21.401 -25.641 13.169 1.00 16.48 ? 499 ILE H HG21 1 ATOM 3532 H HG22 . ILE B 2 179 ? -22.348 -26.160 12.026 1.00 16.48 ? 499 ILE H HG22 1 ATOM 3533 H HG23 . ILE B 2 179 ? -22.549 -26.662 13.502 1.00 16.48 ? 499 ILE H HG23 1 ATOM 3534 H HD11 . ILE B 2 179 ? -20.358 -28.401 15.741 1.00 22.50 ? 499 ILE H HD11 1 ATOM 3535 H HD12 . ILE B 2 179 ? -21.469 -27.418 15.219 1.00 22.50 ? 499 ILE H HD12 1 ATOM 3536 H HD13 . ILE B 2 179 ? -21.514 -28.939 14.821 1.00 22.50 ? 499 ILE H HD13 1 ATOM 3537 N N . ARG B 2 180 ? -23.883 -28.193 11.151 1.00 10.96 ? 500 ARG H N 1 ATOM 3538 C CA . ARG B 2 180 ? -24.825 -27.831 10.103 1.00 10.97 ? 500 ARG H CA 1 ATOM 3539 C C . ARG B 2 180 ? -24.683 -26.349 9.728 1.00 10.87 ? 500 ARG H C 1 ATOM 3540 O O . ARG B 2 180 ? -25.223 -25.461 10.384 1.00 14.59 ? 500 ARG H O 1 ATOM 3541 C CB . ARG B 2 180 ? -26.269 -28.096 10.548 1.00 12.53 ? 500 ARG H CB 1 ATOM 3542 C CG . ARG B 2 180 ? -27.248 -27.893 9.408 1.00 14.39 ? 500 ARG H CG 1 ATOM 3543 C CD . ARG B 2 180 ? -28.651 -28.266 9.782 1.00 15.45 ? 500 ARG H CD 1 ATOM 3544 N NE . ARG B 2 180 ? -29.243 -27.426 10.816 1.00 14.67 ? 500 ARG H NE 1 ATOM 3545 C CZ . ARG B 2 180 ? -29.838 -26.257 10.593 1.00 15.71 ? 500 ARG H CZ 1 ATOM 3546 N NH1 . ARG B 2 180 ? -30.424 -25.619 11.604 1.00 17.65 ? 500 ARG H NH1 1 ATOM 3547 N NH2 . ARG B 2 180 ? -29.936 -25.759 9.352 1.00 17.25 ? 500 ARG H NH2 1 ATOM 3548 H H . ARG B 2 180 ? -24.230 -28.246 11.936 1.00 13.13 ? 500 ARG H H 1 ATOM 3549 H HA . ARG B 2 180 ? -24.644 -28.369 9.305 1.00 13.15 ? 500 ARG H HA 1 ATOM 3550 H HB2 . ARG B 2 180 ? -26.346 -29.013 10.855 1.00 15.02 ? 500 ARG H HB2 1 ATOM 3551 H HB3 . ARG B 2 180 ? -26.502 -27.483 11.262 1.00 15.02 ? 500 ARG H HB3 1 ATOM 3552 H HG2 . ARG B 2 180 ? -27.244 -26.958 9.150 1.00 17.25 ? 500 ARG H HG2 1 ATOM 3553 H HG3 . ARG B 2 180 ? -26.979 -28.446 8.658 1.00 17.25 ? 500 ARG H HG3 1 ATOM 3554 H HD2 . ARG B 2 180 ? -29.210 -28.199 8.992 1.00 18.52 ? 500 ARG H HD2 1 ATOM 3555 H HD3 . ARG B 2 180 ? -28.653 -29.179 10.108 1.00 18.52 ? 500 ARG H HD3 1 ATOM 3556 H HE . ARG B 2 180 ? -29.205 -27.706 11.628 1.00 17.59 ? 500 ARG H HE 1 ATOM 3557 H HH11 . ARG B 2 180 ? -30.361 -25.932 12.402 1.00 21.17 ? 500 ARG H HH11 1 ATOM 3558 H HH12 . ARG B 2 180 ? -30.794 -24.854 11.471 1.00 21.17 ? 500 ARG H HH12 1 ATOM 3559 H HH21 . ARG B 2 180 ? -29.586 -26.182 8.691 1.00 20.69 ? 500 ARG H HH21 1 ATOM 3560 H HH22 . ARG B 2 180 ? -30.325 -25.003 9.222 1.00 20.69 ? 500 ARG H HH22 1 ATOM 3561 N N . ILE B 2 181 ? -23.969 -26.070 8.649 1.00 9.62 ? 501 ILE H N 1 ATOM 3562 C CA A ILE B 2 181 ? -23.719 -24.700 8.267 0.75 9.08 ? 501 ILE H CA 1 ATOM 3563 C CA B ILE B 2 181 ? -23.683 -24.721 8.186 0.25 10.00 ? 501 ILE H CA 1 ATOM 3564 C C . ILE B 2 181 ? -24.933 -24.128 7.569 1.00 9.49 ? 501 ILE H C 1 ATOM 3565 O O . ILE B 2 181 ? -25.791 -24.860 7.082 1.00 11.06 ? 501 ILE H O 1 ATOM 3566 C CB A ILE B 2 181 ? -22.446 -24.553 7.425 0.75 11.03 ? 501 ILE H CB 1 ATOM 3567 C CB B ILE B 2 181 ? -22.553 -24.764 7.131 0.25 11.61 ? 501 ILE H CB 1 ATOM 3568 C CG1 A ILE B 2 181 ? -22.632 -25.048 5.996 0.75 11.88 ? 501 ILE H CG1 1 ATOM 3569 C CG1 B ILE B 2 181 ? -21.284 -25.347 7.760 0.25 13.14 ? 501 ILE H CG1 1 ATOM 3570 C CG2 A ILE B 2 181 ? -21.261 -25.283 8.125 0.75 12.11 ? 501 ILE H CG2 1 ATOM 3571 C CG2 B ILE B 2 181 ? -22.263 -23.385 6.547 0.25 12.80 ? 501 ILE H CG2 1 ATOM 3572 C CD1 A ILE B 2 181 ? -21.506 -24.603 5.088 0.75 13.60 ? 501 ILE H CD1 1 ATOM 3573 C CD1 B ILE B 2 181 ? -20.229 -25.639 6.760 0.25 13.38 ? 501 ILE H CD1 1 ATOM 3574 H H . ILE B 2 181 ? -23.621 -26.656 8.125 1.00 11.53 ? 501 ILE H H 1 ATOM 3575 H HA A ILE B 2 181 ? -23.585 -24.176 9.085 0.75 10.88 ? 501 ILE H HA 1 ATOM 3576 H HA B ILE B 2 181 ? -23.399 -24.160 8.938 0.25 11.98 ? 501 ILE H HA 1 ATOM 3577 H HB A ILE B 2 181 ? -22.228 -23.609 7.383 0.75 13.22 ? 501 ILE H HB 1 ATOM 3578 H HB B ILE B 2 181 ? -22.833 -25.348 6.409 0.25 13.91 ? 501 ILE H HB 1 ATOM 3579 H HG12 A ILE B 2 181 ? -22.655 -26.017 5.996 0.75 14.25 ? 501 ILE H HG12 1 ATOM 3580 H HG12 B ILE B 2 181 ? -20.926 -24.710 8.397 0.25 15.75 ? 501 ILE H HG12 1 ATOM 3581 H HG13 A ILE B 2 181 ? -23.463 -24.694 5.642 0.75 14.25 ? 501 ILE H HG13 1 ATOM 3582 H HG13 B ILE B 2 181 ? -21.508 -26.177 8.210 0.25 15.75 ? 501 ILE H HG13 1 ATOM 3583 H HG21 A ILE B 2 181 ? -20.471 -25.183 7.588 0.75 14.52 ? 501 ILE H HG21 1 ATOM 3584 H HG21 B ILE B 2 181 ? -21.558 -23.462 5.900 0.25 15.35 ? 501 ILE H HG21 1 ATOM 3585 H HG22 A ILE B 2 181 ? -21.120 -24.891 8.990 0.75 14.52 ? 501 ILE H HG22 1 ATOM 3586 H HG22 B ILE B 2 181 ? -23.059 -23.050 6.126 0.25 15.35 ? 501 ILE H HG22 1 ATOM 3587 H HG23 A ILE B 2 181 ? -21.478 -26.213 8.218 0.75 14.52 ? 501 ILE H HG23 1 ATOM 3588 H HG23 B ILE B 2 181 ? -21.995 -22.795 7.255 0.25 15.35 ? 501 ILE H HG23 1 ATOM 3589 H HD11 A ILE B 2 181 ? -21.669 -24.938 4.203 0.75 16.31 ? 501 ILE H HD11 1 ATOM 3590 H HD11 B ILE B 2 181 ? -19.463 -26.001 7.212 0.25 16.04 ? 501 ILE H HD11 1 ATOM 3591 H HD12 A ILE B 2 181 ? -21.476 -23.644 5.075 0.75 16.31 ? 501 ILE H HD12 1 ATOM 3592 H HD12 B ILE B 2 181 ? -20.567 -26.276 6.127 0.25 16.04 ? 501 ILE H HD12 1 ATOM 3593 H HD13 A ILE B 2 181 ? -20.678 -24.953 5.424 0.75 16.31 ? 501 ILE H HD13 1 ATOM 3594 H HD13 B ILE B 2 181 ? -19.991 -24.825 6.311 0.25 16.04 ? 501 ILE H HD13 1 ATOM 3595 N N . THR B 2 182 ? -25.034 -22.803 7.571 1.00 8.42 ? 502 THR H N 1 ATOM 3596 C CA . THR B 2 182 ? -26.134 -22.103 6.939 1.00 8.22 ? 502 THR H CA 1 ATOM 3597 C C . THR B 2 182 ? -25.600 -20.971 6.065 1.00 8.30 ? 502 THR H C 1 ATOM 3598 O O . THR B 2 182 ? -24.419 -20.594 6.133 1.00 8.17 ? 502 THR H O 1 ATOM 3599 C CB . THR B 2 182 ? -27.078 -21.465 7.972 1.00 9.28 ? 502 THR H CB 1 ATOM 3600 O OG1 . THR B 2 182 ? -26.403 -20.312 8.511 1.00 8.79 ? 502 THR H OG1 1 ATOM 3601 C CG2 . THR B 2 182 ? -27.469 -22.420 9.090 1.00 10.08 ? 502 THR H CG2 1 ATOM 3602 H H . THR B 2 182 ? -24.461 -22.280 7.941 1.00 10.08 ? 502 THR H H 1 ATOM 3603 H HA . THR B 2 182 ? -26.647 -22.723 6.379 1.00 9.85 ? 502 THR H HA 1 ATOM 3604 H HB . THR B 2 182 ? -27.889 -21.176 7.525 1.00 11.12 ? 502 THR H HB 1 ATOM 3605 H HG1 . THR B 2 182 ? -26.878 -19.944 9.068 1.00 10.54 ? 502 THR H HG1 1 ATOM 3606 H HG21 . THR B 2 182 ? -28.057 -21.979 9.708 1.00 12.08 ? 502 THR H HG21 1 ATOM 3607 H HG22 . THR B 2 182 ? -27.919 -23.186 8.725 1.00 12.08 ? 502 THR H HG22 1 ATOM 3608 H HG23 . THR B 2 182 ? -26.686 -22.714 9.560 1.00 12.08 ? 502 THR H HG23 1 ATOM 3609 N N . ASP B 2 183 ? -26.506 -20.349 5.320 1.00 7.59 ? 503 ASP H N 1 ATOM 3610 C CA . ASP B 2 183 ? -26.192 -19.216 4.475 1.00 8.24 ? 503 ASP H CA 1 ATOM 3611 C C . ASP B 2 183 ? -25.882 -17.947 5.261 1.00 7.09 ? 503 ASP H C 1 ATOM 3612 O O . ASP B 2 183 ? -25.431 -16.970 4.674 1.00 8.32 ? 503 ASP H O 1 ATOM 3613 C CB . ASP B 2 183 ? -27.295 -19.013 3.454 1.00 9.33 ? 503 ASP H CB 1 ATOM 3614 C CG . ASP B 2 183 ? -27.262 -20.066 2.343 1.00 11.41 ? 503 ASP H CG 1 ATOM 3615 O OD1 . ASP B 2 183 ? -26.269 -20.835 2.231 1.00 13.32 ? 503 ASP H OD1 1 ATOM 3616 O OD2 . ASP B 2 183 ? -28.233 -20.125 1.594 1.00 14.98 ? 503 ASP H OD2 1 ATOM 3617 H H . ASP B 2 183 ? -27.335 -20.576 5.291 1.00 9.10 ? 503 ASP H H 1 ATOM 3618 H HA . ASP B 2 183 ? -25.381 -19.438 3.972 1.00 9.88 ? 503 ASP H HA 1 ATOM 3619 H HB2 . ASP B 2 183 ? -28.155 -19.072 3.899 1.00 11.18 ? 503 ASP H HB2 1 ATOM 3620 H HB3 . ASP B 2 183 ? -27.191 -18.140 3.044 1.00 11.18 ? 503 ASP H HB3 1 ATOM 3621 N N . ASN B 2 184 ? -26.127 -17.967 6.568 1.00 7.04 ? 504 ASN H N 1 ATOM 3622 C CA . ASN B 2 184 ? -25.699 -16.882 7.438 1.00 7.18 ? 504 ASN H CA 1 ATOM 3623 C C . ASN B 2 184 ? -24.272 -16.988 7.906 1.00 7.03 ? 504 ASN H C 1 ATOM 3624 O O . ASN B 2 184 ? -23.868 -16.228 8.793 1.00 7.10 ? 504 ASN H O 1 ATOM 3625 C CB . ASN B 2 184 ? -26.627 -16.734 8.645 1.00 7.56 ? 504 ASN H CB 1 ATOM 3626 C CG . ASN B 2 184 ? -28.066 -16.583 8.228 1.00 7.97 ? 504 ASN H CG 1 ATOM 3627 O OD1 . ASN B 2 184 ? -28.369 -15.747 7.375 1.00 9.63 ? 504 ASN H OD1 1 ATOM 3628 N ND2 . ASN B 2 184 ? -28.947 -17.376 8.829 1.00 9.48 ? 504 ASN H ND2 1 ATOM 3629 H H . ASN B 2 184 ? -26.541 -18.602 6.975 1.00 8.43 ? 504 ASN H H 1 ATOM 3630 H HA . ASN B 2 184 ? -25.765 -16.048 6.927 1.00 8.60 ? 504 ASN H HA 1 ATOM 3631 H HB2 . ASN B 2 184 ? -26.554 -17.525 9.202 1.00 9.06 ? 504 ASN H HB2 1 ATOM 3632 H HB3 . ASN B 2 184 ? -26.372 -15.945 9.149 1.00 9.06 ? 504 ASN H HB3 1 ATOM 3633 H HD21 . ASN B 2 184 ? -29.781 -17.326 8.624 1.00 11.36 ? 504 ASN H HD21 1 ATOM 3634 H HD22 . ASN B 2 184 ? -28.684 -17.938 9.424 1.00 11.36 ? 504 ASN H HD22 1 ATOM 3635 N N . MET B 2 185 ? -23.517 -17.921 7.330 1.00 7.14 ? 505 MET H N 1 ATOM 3636 C CA . MET B 2 185 ? -22.104 -18.120 7.657 1.00 7.20 ? 505 MET H CA 1 ATOM 3637 C C . MET B 2 185 ? -21.322 -18.218 6.354 1.00 7.17 ? 505 MET H C 1 ATOM 3638 O O . MET B 2 185 ? -21.883 -18.646 5.328 1.00 8.97 ? 505 MET H O 1 ATOM 3639 C CB . MET B 2 185 ? -21.945 -19.497 8.327 1.00 10.61 ? 505 MET H CB 1 ATOM 3640 C CG . MET B 2 185 ? -22.855 -19.741 9.477 1.00 11.02 ? 505 MET H CG 1 ATOM 3641 S SD . MET B 2 185 ? -22.661 -21.472 9.986 1.00 8.83 ? 505 MET H SD 1 ATOM 3642 C CE . MET B 2 185 ? -23.954 -21.462 11.251 1.00 12.80 ? 505 MET H CE 1 ATOM 3643 H H . MET B 2 185 ? -23.807 -18.465 6.731 1.00 8.55 ? 505 MET H H 1 ATOM 3644 H HA . MET B 2 185 ? -21.759 -17.409 8.236 1.00 8.63 ? 505 MET H HA 1 ATOM 3645 H HB2 . MET B 2 185 ? -22.118 -20.185 7.666 1.00 12.72 ? 505 MET H HB2 1 ATOM 3646 H HB3 . MET B 2 185 ? -21.034 -19.579 8.652 1.00 12.72 ? 505 MET H HB3 1 ATOM 3647 H HG2 . MET B 2 185 ? -22.613 -19.165 10.220 1.00 13.21 ? 505 MET H HG2 1 ATOM 3648 H HG3 . MET B 2 185 ? -23.775 -19.593 9.209 1.00 13.21 ? 505 MET H HG3 1 ATOM 3649 H HE1 . MET B 2 185 ? -24.005 -22.332 11.653 1.00 15.34 ? 505 MET H HE1 1 ATOM 3650 H HE2 . MET B 2 185 ? -23.734 -20.806 11.917 1.00 15.34 ? 505 MET H HE2 1 ATOM 3651 H HE3 . MET B 2 185 ? -24.792 -21.242 10.839 1.00 15.34 ? 505 MET H HE3 1 ATOM 3652 N N . PHE B 2 186 ? -20.040 -17.903 6.400 1.00 6.73 ? 506 PHE H N 1 ATOM 3653 C CA . PHE B 2 186 ? -19.135 -18.305 5.345 1.00 6.93 ? 506 PHE H CA 1 ATOM 3654 C C . PHE B 2 186 ? -17.858 -18.808 6.003 1.00 6.70 ? 506 PHE H C 1 ATOM 3655 O O . PHE B 2 186 ? -17.628 -18.579 7.190 1.00 6.84 ? 506 PHE H O 1 ATOM 3656 C CB . PHE B 2 186 ? -18.858 -17.183 4.340 1.00 7.11 ? 506 PHE H CB 1 ATOM 3657 C CG . PHE B 2 186 ? -18.144 -15.969 4.910 1.00 6.50 ? 506 PHE H CG 1 ATOM 3658 C CD1 . PHE B 2 186 ? -16.759 -15.869 4.887 1.00 7.54 ? 506 PHE H CD1 1 ATOM 3659 C CD2 . PHE B 2 186 ? -18.843 -14.920 5.444 1.00 6.64 ? 506 PHE H CD2 1 ATOM 3660 C CE1 . PHE B 2 186 ? -16.106 -14.752 5.367 1.00 7.86 ? 506 PHE H CE1 1 ATOM 3661 C CE2 . PHE B 2 186 ? -18.214 -13.809 5.928 1.00 7.27 ? 506 PHE H CE2 1 ATOM 3662 C CZ . PHE B 2 186 ? -16.820 -13.717 5.883 1.00 7.52 ? 506 PHE H CZ 1 ATOM 3663 H H . PHE B 2 186 ? -19.670 -17.455 7.034 1.00 8.06 ? 506 PHE H H 1 ATOM 3664 H HA . PHE B 2 186 ? -19.534 -19.053 4.854 1.00 8.31 ? 506 PHE H HA 1 ATOM 3665 H HB2 . PHE B 2 186 ? -18.305 -17.538 3.626 1.00 8.52 ? 506 PHE H HB2 1 ATOM 3666 H HB3 . PHE B 2 186 ? -19.704 -16.879 3.976 1.00 8.52 ? 506 PHE H HB3 1 ATOM 3667 H HD1 . PHE B 2 186 ? -16.260 -16.563 4.519 1.00 9.04 ? 506 PHE H HD1 1 ATOM 3668 H HD2 . PHE B 2 186 ? -19.772 -14.959 5.464 1.00 7.96 ? 506 PHE H HD2 1 ATOM 3669 H HE1 . PHE B 2 186 ? -15.178 -14.708 5.341 1.00 9.42 ? 506 PHE H HE1 1 ATOM 3670 H HE2 . PHE B 2 186 ? -18.714 -13.111 6.285 1.00 8.71 ? 506 PHE H HE2 1 ATOM 3671 H HZ . PHE B 2 186 ? -16.385 -12.970 6.227 1.00 9.00 ? 506 PHE H HZ 1 ATOM 3672 N N . CYS B 2 187 ? -16.998 -19.472 5.244 1.00 6.78 ? 507 CYS H N 1 ATOM 3673 C CA . CYS B 2 187 ? -15.720 -19.908 5.795 1.00 6.54 ? 507 CYS H CA 1 ATOM 3674 C C . CYS B 2 187 ? -14.573 -19.376 4.940 1.00 6.41 ? 507 CYS H C 1 ATOM 3675 O O . CYS B 2 187 ? -14.748 -18.999 3.778 1.00 7.59 ? 507 CYS H O 1 ATOM 3676 C CB . CYS B 2 187 ? -15.640 -21.446 6.010 1.00 8.28 ? 507 CYS H CB 1 ATOM 3677 S SG . CYS B 2 187 ? -15.066 -22.513 4.700 1.00 8.98 ? 507 CYS H SG 1 ATOM 3678 H H . CYS B 2 187 ? -17.125 -19.680 4.419 1.00 8.12 ? 507 CYS H H 1 ATOM 3679 H HA . CYS B 2 187 ? -15.624 -19.498 6.680 1.00 7.84 ? 507 CYS H HA 1 ATOM 3680 H HB2 . CYS B 2 187 ? -15.054 -21.603 6.766 1.00 9.92 ? 507 CYS H HB2 1 ATOM 3681 H HB3 . CYS B 2 187 ? -16.531 -21.752 6.240 1.00 9.92 ? 507 CYS H HB3 1 ATOM 3682 N N . ALA B 2 188 ? -13.408 -19.304 5.589 1.00 6.60 ? 508 ALA H N 1 ATOM 3683 C CA . ALA B 2 188 ? -12.217 -18.753 4.972 1.00 6.42 ? 508 ALA H CA 1 ATOM 3684 C C . ALA B 2 188 ? -10.984 -19.414 5.533 1.00 6.83 ? 508 ALA H C 1 ATOM 3685 O O . ALA B 2 188 ? -10.997 -19.926 6.645 1.00 8.14 ? 508 ALA H O 1 ATOM 3686 C CB . ALA B 2 188 ? -12.157 -17.243 5.191 1.00 7.54 ? 508 ALA H CB 1 ATOM 3687 H H . ALA B 2 188 ? -13.289 -19.572 6.398 1.00 7.90 ? 508 ALA H H 1 ATOM 3688 H HA . ALA B 2 188 ? -12.245 -18.923 4.007 1.00 7.69 ? 508 ALA H HA 1 ATOM 3689 H HB1 . ALA B 2 188 ? -11.363 -16.899 4.776 1.00 9.03 ? 508 ALA H HB1 1 ATOM 3690 H HB2 . ALA B 2 188 ? -12.934 -16.840 4.798 1.00 9.03 ? 508 ALA H HB2 1 ATOM 3691 H HB3 . ALA B 2 188 ? -12.137 -17.065 6.134 1.00 9.03 ? 508 ALA H HB3 1 ATOM 3692 N N . GLY B 2 189 ? -9.946 -19.418 4.703 1.00 6.58 ? 509 GLY H N 1 ATOM 3693 C CA . GLY B 2 189 ? -8.684 -20.074 5.044 1.00 7.33 ? 509 GLY H CA 1 ATOM 3694 C C . GLY B 2 189 ? -8.132 -20.783 3.835 1.00 6.47 ? 509 GLY H C 1 ATOM 3695 O O . GLY B 2 189 ? -8.835 -20.959 2.847 1.00 7.69 ? 509 GLY H O 1 ATOM 3696 H H . GLY B 2 189 ? -9.945 -19.044 3.928 1.00 7.88 ? 509 GLY H H 1 ATOM 3697 H HA2 . GLY B 2 189 ? -8.039 -19.415 5.345 1.00 8.78 ? 509 GLY H HA2 1 ATOM 3698 H HA3 . GLY B 2 189 ? -8.828 -20.721 5.751 1.00 8.78 ? 509 GLY H HA3 1 ATOM 3699 N N . TYR B 2 190 ? -6.869 -21.152 3.907 1.00 7.18 ? 510 TYR H N 1 ATOM 3700 C CA . TYR B 2 190 ? -6.216 -21.845 2.820 1.00 7.77 ? 510 TYR H CA 1 ATOM 3701 C C . TYR B 2 190 ? -6.565 -23.326 2.848 1.00 8.00 ? 510 TYR H C 1 ATOM 3702 O O . TYR B 2 190 ? -6.701 -23.932 3.918 1.00 8.98 ? 510 TYR H O 1 ATOM 3703 C CB . TYR B 2 190 ? -4.701 -21.641 2.915 1.00 8.14 ? 510 TYR H CB 1 ATOM 3704 C CG . TYR B 2 190 ? -4.311 -20.226 2.644 1.00 7.96 ? 510 TYR H CG 1 ATOM 3705 C CD1 . TYR B 2 190 ? -4.313 -19.723 1.341 1.00 8.56 ? 510 TYR H CD1 1 ATOM 3706 C CD2 . TYR B 2 190 ? -3.942 -19.374 3.684 1.00 8.21 ? 510 TYR H CD2 1 ATOM 3707 C CE1 . TYR B 2 190 ? -3.959 -18.427 1.071 1.00 8.86 ? 510 TYR H CE1 1 ATOM 3708 C CE2 . TYR B 2 190 ? -3.570 -18.064 3.421 1.00 9.02 ? 510 TYR H CE2 1 ATOM 3709 C CZ . TYR B 2 190 ? -3.583 -17.590 2.106 1.00 9.65 ? 510 TYR H CZ 1 ATOM 3710 O OH . TYR B 2 190 ? -3.232 -16.305 1.796 1.00 11.83 ? 510 TYR H OH 1 ATOM 3711 H H . TYR B 2 190 ? -6.361 -21.009 4.585 1.00 8.60 ? 510 TYR H H 1 ATOM 3712 H HA . TYR B 2 190 ? -6.523 -21.473 1.968 1.00 9.31 ? 510 TYR H HA 1 ATOM 3713 H HB2 . TYR B 2 190 ? -4.404 -21.871 3.809 1.00 9.76 ? 510 TYR H HB2 1 ATOM 3714 H HB3 . TYR B 2 190 ? -4.262 -22.207 2.261 1.00 9.76 ? 510 TYR H HB3 1 ATOM 3715 H HD1 . TYR B 2 190 ? -4.561 -20.282 0.639 1.00 10.26 ? 510 TYR H HD1 1 ATOM 3716 H HD2 . TYR B 2 190 ? -3.929 -19.691 4.558 1.00 9.83 ? 510 TYR H HD2 1 ATOM 3717 H HE1 . TYR B 2 190 ? -3.963 -18.113 0.195 1.00 10.62 ? 510 TYR H HE1 1 ATOM 3718 H HE2 . TYR B 2 190 ? -3.323 -17.500 4.118 1.00 10.81 ? 510 TYR H HE2 1 ATOM 3719 H HH . TYR B 2 190 ? -2.460 -16.162 2.030 1.00 14.18 ? 510 TYR H HH 1 ATOM 3720 N N . LYS B 2 191 ? -6.674 -23.904 1.669 1.00 8.48 ? 511 LYS H N 1 ATOM 3721 C CA A LYS B 2 191 ? -6.785 -25.348 1.511 0.47 9.49 ? 511 LYS H CA 1 ATOM 3722 C CA B LYS B 2 191 ? -6.782 -25.347 1.507 0.53 9.26 ? 511 LYS H CA 1 ATOM 3723 C C . LYS B 2 191 ? -5.419 -25.980 1.633 1.00 10.16 ? 511 LYS H C 1 ATOM 3724 O O . LYS B 2 191 ? -4.410 -25.320 1.366 1.00 10.03 ? 511 LYS H O 1 ATOM 3725 C CB A LYS B 2 191 ? -7.361 -25.670 0.139 0.47 11.54 ? 511 LYS H CB 1 ATOM 3726 C CB B LYS B 2 191 ? -7.346 -25.660 0.130 0.53 11.56 ? 511 LYS H CB 1 ATOM 3727 C CG A LYS B 2 191 ? -8.742 -25.082 -0.079 0.47 12.78 ? 511 LYS H CG 1 ATOM 3728 C CG B LYS B 2 191 ? -8.734 -25.089 -0.088 0.53 12.25 ? 511 LYS H CG 1 ATOM 3729 C CD A LYS B 2 191 ? -9.266 -25.359 -1.474 0.47 16.57 ? 511 LYS H CD 1 ATOM 3730 C CD B LYS B 2 191 ? -9.121 -25.111 -1.545 0.53 16.80 ? 511 LYS H CD 1 ATOM 3731 C CE A LYS B 2 191 ? -10.550 -24.632 -1.728 0.47 19.42 ? 511 LYS H CE 1 ATOM 3732 C CE B LYS B 2 191 ? -10.429 -24.428 -1.763 0.53 18.53 ? 511 LYS H CE 1 ATOM 3733 N NZ A LYS B 2 191 ? -10.323 -23.171 -1.867 0.47 20.57 ? 511 LYS H NZ 1 ATOM 3734 N NZ B LYS B 2 191 ? -10.809 -24.436 -3.182 0.53 20.27 ? 511 LYS H NZ 1 ATOM 3735 H H . LYS B 2 191 ? -6.686 -23.475 0.924 1.00 10.16 ? 511 LYS H H 1 ATOM 3736 H HA A LYS B 2 191 ? -7.373 -25.718 2.201 0.47 11.37 ? 511 LYS H HA 1 ATOM 3737 H HA B LYS B 2 191 ? -7.376 -25.721 2.191 0.53 11.10 ? 511 LYS H HA 1 ATOM 3738 H HB2 A LYS B 2 191 ? -6.772 -25.310 -0.542 0.47 13.83 ? 511 LYS H HB2 1 ATOM 3739 H HB2 B LYS B 2 191 ? -6.759 -25.284 -0.544 0.53 13.86 ? 511 LYS H HB2 1 ATOM 3740 H HB3 A LYS B 2 191 ? -7.428 -26.633 0.044 0.47 13.83 ? 511 LYS H HB3 1 ATOM 3741 H HB3 B LYS B 2 191 ? -7.399 -26.623 0.022 0.53 13.86 ? 511 LYS H HB3 1 ATOM 3742 H HG2 A LYS B 2 191 ? -9.359 -25.474 0.559 0.47 15.32 ? 511 LYS H HG2 1 ATOM 3743 H HG2 B LYS B 2 191 ? -9.379 -25.619 0.405 0.53 14.69 ? 511 LYS H HG2 1 ATOM 3744 H HG3 A LYS B 2 191 ? -8.702 -24.121 0.044 0.47 15.32 ? 511 LYS H HG3 1 ATOM 3745 H HG3 B LYS B 2 191 ? -8.753 -24.169 0.217 0.53 14.69 ? 511 LYS H HG3 1 ATOM 3746 H HD2 A LYS B 2 191 ? -8.613 -25.062 -2.127 0.47 19.87 ? 511 LYS H HD2 1 ATOM 3747 H HD2 B LYS B 2 191 ? -8.445 -24.648 -2.064 0.53 20.15 ? 511 LYS H HD2 1 ATOM 3748 H HD3 A LYS B 2 191 ? -9.430 -26.310 -1.572 0.47 19.87 ? 511 LYS H HD3 1 ATOM 3749 H HD3 B LYS B 2 191 ? -9.204 -26.031 -1.842 0.53 20.15 ? 511 LYS H HD3 1 ATOM 3750 H HE2 A LYS B 2 191 ? -10.947 -24.958 -2.551 0.47 23.29 ? 511 LYS H HE2 1 ATOM 3751 H HE2 B LYS B 2 191 ? -11.119 -24.890 -1.261 0.53 22.22 ? 511 LYS H HE2 1 ATOM 3752 H HE3 A LYS B 2 191 ? -11.154 -24.777 -0.983 0.47 23.29 ? 511 LYS H HE3 1 ATOM 3753 H HE3 B LYS B 2 191 ? -10.362 -23.506 -1.471 0.53 22.22 ? 511 LYS H HE3 1 ATOM 3754 H HZ1 A LYS B 2 191 ? -11.096 -22.756 -2.017 0.47 24.67 ? 511 LYS H HZ1 1 ATOM 3755 H HZ1 B LYS B 2 191 ? -11.591 -24.025 -3.289 0.53 24.31 ? 511 LYS H HZ1 1 ATOM 3756 H HZ2 A LYS B 2 191 ? -9.961 -22.848 -1.121 0.47 24.67 ? 511 LYS H HZ2 1 ATOM 3757 H HZ2 B LYS B 2 191 ? -10.191 -24.014 -3.664 0.53 24.31 ? 511 LYS H HZ2 1 ATOM 3758 H HZ3 A LYS B 2 191 ? -9.773 -23.013 -2.548 0.47 24.67 ? 511 LYS H HZ3 1 ATOM 3759 H HZ3 B LYS B 2 191 ? -10.881 -25.274 -3.473 0.53 24.31 ? 511 LYS H HZ3 1 ATOM 3760 N N . PRO B 2 192 ? -5.371 -27.254 2.046 1.00 11.22 ? 512 PRO H N 1 ATOM 3761 C CA . PRO B 2 192 ? -4.069 -27.918 2.107 1.00 11.86 ? 512 PRO H CA 1 ATOM 3762 C C . PRO B 2 192 ? -3.250 -27.753 0.795 1.00 11.48 ? 512 PRO H C 1 ATOM 3763 O O . PRO B 2 192 ? -2.043 -27.504 0.845 1.00 12.41 ? 512 PRO H O 1 ATOM 3764 C CB . PRO B 2 192 ? -4.441 -29.386 2.391 1.00 14.12 ? 512 PRO H CB 1 ATOM 3765 C CG . PRO B 2 192 ? -5.734 -29.265 3.200 1.00 13.95 ? 512 PRO H CG 1 ATOM 3766 C CD . PRO B 2 192 ? -6.463 -28.109 2.536 1.00 11.74 ? 512 PRO H CD 1 ATOM 3767 H HA . PRO B 2 192 ? -3.546 -27.568 2.859 1.00 14.21 ? 512 PRO H HA 1 ATOM 3768 H HB2 . PRO B 2 192 ? -4.594 -29.858 1.557 1.00 16.93 ? 512 PRO H HB2 1 ATOM 3769 H HB3 . PRO B 2 192 ? -3.742 -29.812 2.911 1.00 16.93 ? 512 PRO H HB3 1 ATOM 3770 H HG2 . PRO B 2 192 ? -6.246 -30.086 3.130 1.00 16.73 ? 512 PRO H HG2 1 ATOM 3771 H HG3 . PRO B 2 192 ? -5.527 -29.060 4.125 1.00 16.73 ? 512 PRO H HG3 1 ATOM 3772 H HD2 . PRO B 2 192 ? -7.001 -28.430 1.795 1.00 14.07 ? 512 PRO H HD2 1 ATOM 3773 H HD3 . PRO B 2 192 ? -7.002 -27.631 3.186 1.00 14.07 ? 512 PRO H HD3 1 ATOM 3774 N N . ASP B 2 193 ? -3.902 -27.874 -0.369 1.00 11.76 ? 513 ASP H N 1 ATOM 3775 C CA . ASP B 2 193 ? -3.183 -27.821 -1.648 1.00 12.62 ? 513 ASP H CA 1 ATOM 3776 C C . ASP B 2 193 ? -2.671 -26.424 -2.005 1.00 11.00 ? 513 ASP H C 1 ATOM 3777 O O . ASP B 2 193 ? -1.917 -26.294 -2.976 1.00 11.57 ? 513 ASP H O 1 ATOM 3778 C CB . ASP B 2 193 ? -4.063 -28.403 -2.775 1.00 16.30 ? 513 ASP H CB 1 ATOM 3779 C CG . ASP B 2 193 ? -5.290 -27.570 -3.093 1.00 20.52 ? 513 ASP H CG 1 ATOM 3780 O OD1 . ASP B 2 193 ? -6.354 -28.157 -3.324 1.00 27.22 ? 513 ASP H OD1 1 ATOM 3781 O OD2 . ASP B 2 193 ? -5.209 -26.357 -3.251 1.00 22.23 ? 513 ASP H OD2 1 ATOM 3782 H H . ASP B 2 193 ? -4.751 -27.986 -0.444 1.00 14.10 ? 513 ASP H H 1 ATOM 3783 H HA . ASP B 2 193 ? -2.396 -28.401 -1.573 1.00 15.13 ? 513 ASP H HA 1 ATOM 3784 H HB2 . ASP B 2 193 ? -3.531 -28.468 -3.584 1.00 19.54 ? 513 ASP H HB2 1 ATOM 3785 H HB3 . ASP B 2 193 ? -4.365 -29.286 -2.510 1.00 19.54 ? 513 ASP H HB3 1 ATOM 3786 N N . GLU B 2 194 ? -3.003 -25.408 -1.210 1.00 9.92 ? 514 GLU H N 1 ATOM 3787 C CA . GLU B 2 194 ? -2.483 -24.056 -1.419 1.00 9.41 ? 514 GLU H CA 1 ATOM 3788 C C . GLU B 2 194 ? -1.179 -23.807 -0.666 1.00 9.50 ? 514 GLU H C 1 ATOM 3789 O O . GLU B 2 194 ? -0.468 -22.841 -0.947 1.00 10.17 ? 514 GLU H O 1 ATOM 3790 C CB . GLU B 2 194 ? -3.545 -23.032 -1.050 1.00 9.07 ? 514 GLU H CB 1 ATOM 3791 C CG . GLU B 2 194 ? -4.648 -23.005 -2.081 1.00 10.71 ? 514 GLU H CG 1 ATOM 3792 C CD . GLU B 2 194 ? -5.825 -22.161 -1.720 1.00 12.46 ? 514 GLU H CD 1 ATOM 3793 O OE1 . GLU B 2 194 ? -6.361 -21.540 -2.631 1.00 18.79 ? 514 GLU H OE1 1 ATOM 3794 O OE2 . GLU B 2 194 ? -6.283 -22.169 -0.582 1.00 10.04 ? 514 GLU H OE2 1 ATOM 3795 H H . GLU B 2 194 ? -3.533 -25.476 -0.536 1.00 11.89 ? 514 GLU H H 1 ATOM 3796 H HA . GLU B 2 194 ? -2.292 -23.946 -2.373 1.00 11.27 ? 514 GLU H HA 1 ATOM 3797 H HB2 . GLU B 2 194 ? -3.934 -23.265 -0.192 1.00 10.87 ? 514 GLU H HB2 1 ATOM 3798 H HB3 . GLU B 2 194 ? -3.142 -22.150 -1.010 1.00 10.87 ? 514 GLU H HB3 1 ATOM 3799 H HG2 . GLU B 2 194 ? -4.285 -22.661 -2.913 1.00 12.84 ? 514 GLU H HG2 1 ATOM 3800 H HG3 . GLU B 2 194 ? -4.967 -23.911 -2.216 1.00 12.84 ? 514 GLU H HG3 1 ATOM 3801 N N . GLY B 2 195 ? -0.807 -24.684 0.251 1.00 10.01 ? 515 GLY H N 1 ATOM 3802 C CA . GLY B 2 195 ? 0.512 -24.613 0.831 1.00 11.90 ? 515 GLY H CA 1 ATOM 3803 C C . GLY B 2 195 ? 0.779 -23.342 1.606 1.00 12.03 ? 515 GLY H C 1 ATOM 3804 O O . GLY B 2 195 ? 1.904 -22.858 1.586 1.00 12.89 ? 515 GLY H O 1 ATOM 3805 H H . GLY B 2 195 ? -1.297 -25.324 0.550 1.00 12.00 ? 515 GLY H H 1 ATOM 3806 H HA2 . GLY B 2 195 ? 0.634 -25.364 1.433 1.00 14.27 ? 515 GLY H HA2 1 ATOM 3807 H HA3 . GLY B 2 195 ? 1.173 -24.680 0.125 1.00 14.27 ? 515 GLY H HA3 1 ATOM 3808 N N . LYS B 2 196 ? -0.248 -22.783 2.250 1.00 10.09 ? 516 LYS H N 1 ATOM 3809 C CA A LYS B 2 196 ? -0.148 -21.632 3.137 0.44 9.59 ? 516 LYS H CA 1 ATOM 3810 C CA B LYS B 2 196 ? -0.147 -21.637 3.145 0.56 9.15 ? 516 LYS H CA 1 ATOM 3811 C C . LYS B 2 196 ? -1.047 -21.862 4.337 1.00 9.03 ? 516 LYS H C 1 ATOM 3812 O O . LYS B 2 196 ? -1.951 -22.700 4.281 1.00 10.66 ? 516 LYS H O 1 ATOM 3813 C CB A LYS B 2 196 ? -0.612 -20.365 2.412 0.44 11.28 ? 516 LYS H CB 1 ATOM 3814 C CB B LYS B 2 196 ? -0.613 -20.359 2.438 0.56 10.51 ? 516 LYS H CB 1 ATOM 3815 C CG A LYS B 2 196 ? 0.298 -19.936 1.273 0.44 12.76 ? 516 LYS H CG 1 ATOM 3816 C CG B LYS B 2 196 ? 0.300 -19.909 1.314 0.56 11.60 ? 516 LYS H CG 1 ATOM 3817 C CD A LYS B 2 196 ? -0.286 -18.779 0.467 0.44 13.72 ? 516 LYS H CD 1 ATOM 3818 C CD B LYS B 2 196 ? -0.089 -18.558 0.735 0.56 11.91 ? 516 LYS H CD 1 ATOM 3819 C CE A LYS B 2 196 ? -0.303 -17.464 1.251 0.44 15.84 ? 516 LYS H CE 1 ATOM 3820 C CE B LYS B 2 196 ? 0.203 -17.416 1.692 0.56 13.74 ? 516 LYS H CE 1 ATOM 3821 N NZ A LYS B 2 196 ? 1.040 -16.870 1.445 0.44 16.12 ? 516 LYS H NZ 1 ATOM 3822 N NZ B LYS B 2 196 ? -0.098 -16.107 1.067 0.56 13.05 ? 516 LYS H NZ 1 ATOM 3823 H H . LYS B 2 196 ? -1.054 -23.074 2.180 1.00 12.10 ? 516 LYS H H 1 ATOM 3824 H HA A LYS B 2 196 ? 0.776 -21.514 3.440 0.44 11.49 ? 516 LYS H HA 1 ATOM 3825 H HA B LYS B 2 196 ? 0.776 -21.522 3.451 0.56 10.96 ? 516 LYS H HA 1 ATOM 3826 H HB2 A LYS B 2 196 ? -1.495 -20.523 2.042 0.44 13.52 ? 516 LYS H HB2 1 ATOM 3827 H HB2 B LYS B 2 196 ? -1.493 -20.515 2.060 0.56 12.60 ? 516 LYS H HB2 1 ATOM 3828 H HB3 A LYS B 2 196 ? -0.650 -19.636 3.051 0.44 13.52 ? 516 LYS H HB3 1 ATOM 3829 H HB3 B LYS B 2 196 ? -0.659 -19.641 3.089 0.56 12.60 ? 516 LYS H HB3 1 ATOM 3830 H HG2 A LYS B 2 196 ? 1.149 -19.649 1.639 0.44 15.29 ? 516 LYS H HG2 1 ATOM 3831 H HG2 B LYS B 2 196 ? 1.206 -19.838 1.654 0.56 13.90 ? 516 LYS H HG2 1 ATOM 3832 H HG3 A LYS B 2 196 ? 0.429 -20.686 0.672 0.44 15.29 ? 516 LYS H HG3 1 ATOM 3833 H HG3 B LYS B 2 196 ? 0.265 -20.563 0.599 0.56 13.90 ? 516 LYS H HG3 1 ATOM 3834 H HD2 A LYS B 2 196 ? 0.251 -18.646 -0.330 0.44 16.45 ? 516 LYS H HD2 1 ATOM 3835 H HD2 B LYS B 2 196 ? 0.414 -18.405 -0.080 0.56 14.28 ? 516 LYS H HD2 1 ATOM 3836 H HD3 A LYS B 2 196 ? -1.199 -18.993 0.220 0.44 16.45 ? 516 LYS H HD3 1 ATOM 3837 H HD3 B LYS B 2 196 ? -1.041 -18.556 0.545 0.56 14.28 ? 516 LYS H HD3 1 ATOM 3838 H HE2 A LYS B 2 196 ? -0.847 -16.820 0.770 0.44 18.99 ? 516 LYS H HE2 1 ATOM 3839 H HE2 B LYS B 2 196 ? -0.349 -17.511 2.484 0.56 16.47 ? 516 LYS H HE2 1 ATOM 3840 H HE3 A LYS B 2 196 ? -0.685 -17.628 2.127 0.44 18.99 ? 516 LYS H HE3 1 ATOM 3841 H HE3 B LYS B 2 196 ? 1.143 -17.431 1.932 0.56 16.47 ? 516 LYS H HE3 1 ATOM 3842 H HZ1 A LYS B 2 196 ? 0.972 -16.111 1.904 0.44 19.33 ? 516 LYS H HZ1 1 ATOM 3843 H HZ1 B LYS B 2 196 ? 0.079 -15.449 1.640 0.56 15.65 ? 516 LYS H HZ1 1 ATOM 3844 H HZ2 A LYS B 2 196 ? 1.560 -17.435 1.894 0.44 19.33 ? 516 LYS H HZ2 1 ATOM 3845 H HZ2 B LYS B 2 196 ? 0.400 -15.997 0.338 0.56 15.65 ? 516 LYS H HZ2 1 ATOM 3846 H HZ3 A LYS B 2 196 ? 1.413 -16.698 0.655 0.44 19.33 ? 516 LYS H HZ3 1 ATOM 3847 H HZ3 B LYS B 2 196 ? -0.957 -16.069 0.840 0.56 15.65 ? 516 LYS H HZ3 1 ATOM 3848 N N . ARG B 2 197 ? -0.811 -21.106 5.401 1.00 9.55 ? 517 ARG H N 1 ATOM 3849 C CA . ARG B 2 197 ? -1.516 -21.313 6.653 1.00 10.24 ? 517 ARG H CA 1 ATOM 3850 C C . ARG B 2 197 ? -2.122 -20.020 7.152 1.00 9.31 ? 517 ARG H C 1 ATOM 3851 O O . ARG B 2 197 ? -1.858 -18.941 6.595 1.00 10.83 ? 517 ARG H O 1 ATOM 3852 C CB . ARG B 2 197 ? -0.566 -21.869 7.713 1.00 12.02 ? 517 ARG H CB 1 ATOM 3853 C CG . ARG B 2 197 ? 0.179 -23.110 7.268 1.00 13.29 ? 517 ARG H CG 1 ATOM 3854 C CD . ARG B 2 197 ? 0.704 -23.894 8.472 1.00 14.51 ? 517 ARG H CD 1 ATOM 3855 N NE . ARG B 2 197 ? -0.415 -24.552 9.124 1.00 14.64 ? 517 ARG H NE 1 ATOM 3856 C CZ . ARG B 2 197 ? -0.940 -25.704 8.734 1.00 15.33 ? 517 ARG H CZ 1 ATOM 3857 N NH1 . ARG B 2 197 ? -2.030 -26.163 9.323 1.00 17.20 ? 517 ARG H NH1 1 ATOM 3858 N NH2 . ARG B 2 197 ? -0.410 -26.395 7.743 1.00 15.02 ? 517 ARG H NH2 1 ATOM 3859 H H . ARG B 2 197 ? -0.242 -20.461 5.421 1.00 11.44 ? 517 ARG H H 1 ATOM 3860 H HA . ARG B 2 197 ? -2.239 -21.960 6.516 1.00 12.27 ? 517 ARG H HA 1 ATOM 3861 H HB2 . ARG B 2 197 ? 0.091 -21.190 7.931 1.00 14.40 ? 517 ARG H HB2 1 ATOM 3862 H HB3 . ARG B 2 197 ? -1.079 -22.098 8.504 1.00 14.40 ? 517 ARG H HB3 1 ATOM 3863 H HG2 . ARG B 2 197 ? -0.422 -23.684 6.767 1.00 15.93 ? 517 ARG H HG2 1 ATOM 3864 H HG3 . ARG B 2 197 ? 0.935 -22.852 6.718 1.00 15.93 ? 517 ARG H HG3 1 ATOM 3865 H HD2 . ARG B 2 197 ? 1.334 -24.569 8.176 1.00 17.40 ? 517 ARG H HD2 1 ATOM 3866 H HD3 . ARG B 2 197 ? 1.120 -23.287 9.104 1.00 17.40 ? 517 ARG H HD3 1 ATOM 3867 H HE . ARG B 2 197 ? -0.761 -24.166 9.810 1.00 17.55 ? 517 ARG H HE 1 ATOM 3868 H HH11 . ARG B 2 197 ? -2.373 -25.734 9.985 1.00 20.62 ? 517 ARG H HH11 1 ATOM 3869 H HH12 . ARG B 2 197 ? -2.346 -26.932 9.101 1.00 20.62 ? 517 ARG H HH12 1 ATOM 3870 H HH21 . ARG B 2 197 ? 0.280 -26.092 7.329 1.00 18.01 ? 517 ARG H HH21 1 ATOM 3871 H HH22 . ARG B 2 197 ? -0.756 -27.147 7.510 1.00 18.01 ? 517 ARG H HH22 1 ATOM 3872 N N . GLY B 2 198 ? -2.909 -20.108 8.215 1.00 8.60 ? 518 GLY H N 1 ATOM 3873 C CA . GLY B 2 198 ? -3.490 -18.947 8.845 1.00 8.19 ? 518 GLY H CA 1 ATOM 3874 C C . GLY B 2 198 ? -4.913 -19.147 9.273 1.00 7.26 ? 518 GLY H C 1 ATOM 3875 O O . GLY B 2 198 ? -5.683 -19.802 8.570 1.00 8.44 ? 518 GLY H O 1 ATOM 3876 H H . GLY B 2 198 ? -3.122 -20.850 8.595 1.00 10.31 ? 518 GLY H H 1 ATOM 3877 H HA2 . GLY B 2 198 ? -2.968 -18.714 9.629 1.00 9.82 ? 518 GLY H HA2 1 ATOM 3878 H HA3 . GLY B 2 198 ? -3.461 -18.200 8.227 1.00 9.82 ? 518 GLY H HA3 1 ATOM 3879 N N . ASP B 2 199 ? -5.274 -18.578 10.421 1.00 7.75 ? 519 ASP H N 1 ATOM 3880 C CA . ASP B 2 199 ? -6.640 -18.694 10.929 1.00 7.36 ? 519 ASP H CA 1 ATOM 3881 C C . ASP B 2 199 ? -6.828 -17.714 12.046 1.00 7.47 ? 519 ASP H C 1 ATOM 3882 O O . ASP B 2 199 ? -5.855 -17.227 12.613 1.00 9.30 ? 519 ASP H O 1 ATOM 3883 C CB . ASP B 2 199 ? -6.860 -20.136 11.437 1.00 7.91 ? 519 ASP H CB 1 ATOM 3884 C CG . ASP B 2 199 ? -8.323 -20.548 11.623 1.00 8.04 ? 519 ASP H CG 1 ATOM 3885 O OD1 . ASP B 2 199 ? -9.243 -19.769 11.300 1.00 7.94 ? 519 ASP H OD1 1 ATOM 3886 O OD2 . ASP B 2 199 ? -8.515 -21.672 12.151 1.00 8.52 ? 519 ASP H OD2 1 ATOM 3887 H H . ASP B 2 199 ? -4.748 -18.121 10.925 1.00 9.28 ? 519 ASP H H 1 ATOM 3888 H HA . ASP B 2 199 ? -7.285 -18.501 10.217 1.00 8.82 ? 519 ASP H HA 1 ATOM 3889 H HB2 . ASP B 2 199 ? -6.462 -20.750 10.800 1.00 9.48 ? 519 ASP H HB2 1 ATOM 3890 H HB3 . ASP B 2 199 ? -6.419 -20.230 12.296 1.00 9.48 ? 519 ASP H HB3 1 ATOM 3891 N N . ALA B 2 200 ? -8.080 -17.435 12.385 1.00 7.91 ? 520 ALA H N 1 ATOM 3892 C CA . ALA B 2 200 ? -8.421 -16.836 13.671 1.00 8.16 ? 520 ALA H CA 1 ATOM 3893 C C . ALA B 2 200 ? -8.366 -17.930 14.730 1.00 8.46 ? 520 ALA H C 1 ATOM 3894 O O . ALA B 2 200 ? -8.219 -19.119 14.408 1.00 9.48 ? 520 ALA H O 1 ATOM 3895 C CB . ALA B 2 200 ? -9.796 -16.204 13.596 1.00 8.64 ? 520 ALA H CB 1 ATOM 3896 H H . ALA B 2 200 ? -8.761 -17.585 11.881 1.00 9.47 ? 520 ALA H H 1 ATOM 3897 H HA . ALA B 2 200 ? -7.767 -16.143 13.898 1.00 9.77 ? 520 ALA H HA 1 ATOM 3898 H HB1 . ALA B 2 200 ? -10.007 -15.814 14.448 1.00 10.36 ? 520 ALA H HB1 1 ATOM 3899 H HB2 . ALA B 2 200 ? -9.790 -15.525 12.917 1.00 10.36 ? 520 ALA H HB2 1 ATOM 3900 H HB3 . ALA B 2 200 ? -10.440 -16.881 13.377 1.00 10.36 ? 520 ALA H HB3 1 ATOM 3901 N N . CYS B 2 201 ? -8.479 -17.533 15.979 1.00 9.28 ? 521 CYS H N 1 ATOM 3902 C CA . CYS B 2 201 ? -8.407 -18.519 17.063 1.00 10.29 ? 521 CYS H CA 1 ATOM 3903 C C . CYS B 2 201 ? -9.137 -17.946 18.291 1.00 9.55 ? 521 CYS H C 1 ATOM 3904 O O . CYS B 2 201 ? -9.694 -16.843 18.244 1.00 9.50 ? 521 CYS H O 1 ATOM 3905 C CB . CYS B 2 201 ? -6.953 -18.882 17.352 1.00 12.22 ? 521 CYS H CB 1 ATOM 3906 S SG . CYS B 2 201 ? -6.686 -20.475 18.244 1.00 14.64 ? 521 CYS H SG 1 ATOM 3907 H H . CYS B 2 201 ? -8.596 -16.720 16.234 1.00 11.12 ? 521 CYS H H 1 ATOM 3908 H HA . CYS B 2 201 ? -8.874 -19.335 16.786 1.00 12.33 ? 521 CYS H HA 1 ATOM 3909 H HB2 . CYS B 2 201 ? -6.478 -18.939 16.508 1.00 14.65 ? 521 CYS H HB2 1 ATOM 3910 H HB3 . CYS B 2 201 ? -6.564 -18.178 17.894 1.00 14.65 ? 521 CYS H HB3 1 ATOM 3911 N N . GLU B 2 202 ? -9.160 -18.685 19.383 1.00 11.20 ? 522 GLU H N 1 ATOM 3912 C CA A GLU B 2 202 ? -9.828 -18.204 20.583 0.02 13.09 ? 522 GLU H CA 1 ATOM 3913 C CA B GLU B 2 202 ? -9.791 -18.218 20.594 0.98 10.90 ? 522 GLU H CA 1 ATOM 3914 C C . GLU B 2 202 ? -9.283 -16.831 20.984 1.00 10.73 ? 522 GLU H C 1 ATOM 3915 O O . GLU B 2 202 ? -8.099 -16.561 20.908 1.00 11.92 ? 522 GLU H O 1 ATOM 3916 C CB A GLU B 2 202 ? -9.729 -19.217 21.726 0.02 18.80 ? 522 GLU H CB 1 ATOM 3917 C CB B GLU B 2 202 ? -9.611 -19.223 21.689 0.98 17.16 ? 522 GLU H CB 1 ATOM 3918 C CG A GLU B 2 202 ? -8.346 -19.483 22.270 0.02 25.11 ? 522 GLU H CG 1 ATOM 3919 C CG B GLU B 2 202 ? -8.276 -19.460 22.226 0.98 24.95 ? 522 GLU H CG 1 ATOM 3920 C CD A GLU B 2 202 ? -8.390 -20.422 23.460 0.02 30.96 ? 522 GLU H CD 1 ATOM 3921 C CD B GLU B 2 202 ? -8.383 -20.412 23.432 0.98 31.47 ? 522 GLU H CD 1 ATOM 3922 O OE1 A GLU B 2 202 ? -8.145 -21.634 23.276 0.02 32.97 ? 522 GLU H OE1 1 ATOM 3923 O OE1 B GLU B 2 202 ? -8.209 -21.634 23.238 0.98 33.86 ? 522 GLU H OE1 1 ATOM 3924 O OE2 A GLU B 2 202 ? -8.686 -19.951 24.579 0.02 33.29 ? 522 GLU H OE2 1 ATOM 3925 O OE2 B GLU B 2 202 ? -8.704 -19.951 24.555 0.98 34.16 ? 522 GLU H OE2 1 ATOM 3926 H H . GLU B 2 202 ? -8.801 -19.463 19.459 1.00 13.42 ? 522 GLU H H 1 ATOM 3927 H HA A GLU B 2 202 ? -10.779 -18.089 20.379 0.02 15.69 ? 522 GLU H HA 1 ATOM 3928 H HA B GLU B 2 202 ? -10.753 -18.138 20.428 0.98 13.07 ? 522 GLU H HA 1 ATOM 3929 H HB2 A GLU B 2 202 ? -10.271 -18.896 22.464 0.02 22.54 ? 522 GLU H HB2 1 ATOM 3930 H HB2 B GLU B 2 202 ? -10.165 -18.946 22.436 0.98 20.57 ? 522 GLU H HB2 1 ATOM 3931 H HB3 A GLU B 2 202 ? -10.083 -20.064 21.413 0.02 22.54 ? 522 GLU H HB3 1 ATOM 3932 H HB3 B GLU B 2 202 ? -9.934 -20.077 21.360 0.98 20.57 ? 522 GLU H HB3 1 ATOM 3933 H HG2 A GLU B 2 202 ? -7.803 -19.893 21.578 0.02 30.12 ? 522 GLU H HG2 1 ATOM 3934 H HG2 B GLU B 2 202 ? -7.720 -19.876 21.549 0.98 29.93 ? 522 GLU H HG2 1 ATOM 3935 H HG3 A GLU B 2 202 ? -7.948 -18.646 22.557 0.02 30.12 ? 522 GLU H HG3 1 ATOM 3936 H HG3 B GLU B 2 202 ? -7.888 -18.622 22.523 0.98 29.93 ? 522 GLU H HG3 1 ATOM 3937 N N . GLY B 2 203 ? -10.198 -15.964 21.365 1.00 9.86 ? 523 GLY H N 1 ATOM 3938 C CA . GLY B 2 203 ? -9.901 -14.593 21.701 1.00 10.22 ? 523 GLY H CA 1 ATOM 3939 C C . GLY B 2 203 ? -10.070 -13.622 20.526 1.00 8.99 ? 523 GLY H C 1 ATOM 3940 O O . GLY B 2 203 ? -10.260 -12.428 20.757 1.00 10.24 ? 523 GLY H O 1 ATOM 3941 H H . GLY B 2 203 ? -11.033 -16.158 21.439 1.00 11.82 ? 523 GLY H H 1 ATOM 3942 H HA2 . GLY B 2 203 ? -10.487 -14.306 22.418 1.00 12.25 ? 523 GLY H HA2 1 ATOM 3943 H HA3 . GLY B 2 203 ? -8.985 -14.533 22.014 1.00 12.25 ? 523 GLY H HA3 1 ATOM 3944 N N . ASP B 2 204 ? -10.032 -14.132 19.297 1.00 8.25 ? 524 ASP H N 1 ATOM 3945 C CA . ASP B 2 204 ? -10.303 -13.312 18.128 1.00 7.02 ? 524 ASP H CA 1 ATOM 3946 C C . ASP B 2 204 ? -11.807 -13.204 17.856 1.00 6.78 ? 524 ASP H C 1 ATOM 3947 O O . ASP B 2 204 ? -12.255 -12.311 17.143 1.00 6.49 ? 524 ASP H O 1 ATOM 3948 C CB . ASP B 2 204 ? -9.642 -13.891 16.874 1.00 7.23 ? 524 ASP H CB 1 ATOM 3949 C CG . ASP B 2 204 ? -8.132 -13.877 16.952 1.00 8.44 ? 524 ASP H CG 1 ATOM 3950 O OD1 . ASP B 2 204 ? -7.567 -12.874 17.461 1.00 8.90 ? 524 ASP H OD1 1 ATOM 3951 O OD2 . ASP B 2 204 ? -7.535 -14.871 16.513 1.00 8.72 ? 524 ASP H OD2 1 ATOM 3952 H H . ASP B 2 204 ? -9.851 -14.954 19.117 1.00 9.88 ? 524 ASP H H 1 ATOM 3953 H HA . ASP B 2 204 ? -9.949 -12.410 18.275 1.00 8.41 ? 524 ASP H HA 1 ATOM 3954 H HB2 . ASP B 2 204 ? -9.928 -14.811 16.762 1.00 8.66 ? 524 ASP H HB2 1 ATOM 3955 H HB3 . ASP B 2 204 ? -9.908 -13.364 16.105 1.00 8.66 ? 524 ASP H HB3 1 ATOM 3956 N N . SER B 2 205 ? -12.558 -14.142 18.429 1.00 7.53 ? 525 SER H N 1 ATOM 3957 C CA . SER B 2 205 ? -14.002 -14.233 18.324 1.00 7.54 ? 525 SER H CA 1 ATOM 3958 C C . SER B 2 205 ? -14.672 -12.898 18.463 1.00 6.25 ? 525 SER H C 1 ATOM 3959 O O . SER B 2 205 ? -14.313 -12.120 19.343 1.00 7.42 ? 525 SER H O 1 ATOM 3960 C CB . SER B 2 205 ? -14.469 -15.111 19.481 1.00 8.54 ? 525 SER H CB 1 ATOM 3961 O OG . SER B 2 205 ? -13.663 -16.289 19.457 1.00 10.00 ? 525 SER H OG 1 ATOM 3962 H H . SER B 2 205 ? -12.225 -14.771 18.911 1.00 9.02 ? 525 SER H H 1 ATOM 3963 H HA . SER B 2 205 ? -14.261 -14.645 17.473 1.00 9.04 ? 525 SER H HA 1 ATOM 3964 H HB2 . SER B 2 205 ? -14.341 -14.642 20.320 1.00 10.24 ? 525 SER H HB2 1 ATOM 3965 H HB3 . SER B 2 205 ? -15.402 -15.348 19.357 1.00 10.24 ? 525 SER H HB3 1 ATOM 3966 H HG . SER B 2 205 ? -13.883 -16.792 20.066 1.00 11.99 ? 525 SER H HG 1 ATOM 3967 N N . GLY B 2 206 ? -15.670 -12.654 17.630 1.00 6.38 ? 526 GLY H N 1 ATOM 3968 C CA . GLY B 2 206 ? -16.392 -11.399 17.678 1.00 6.69 ? 526 GLY H CA 1 ATOM 3969 C C . GLY B 2 206 ? -15.767 -10.283 16.879 1.00 6.51 ? 526 GLY H C 1 ATOM 3970 O O . GLY B 2 206 ? -16.436 -9.290 16.631 1.00 6.79 ? 526 GLY H O 1 ATOM 3971 H H . GLY B 2 206 ? -15.949 -13.201 17.027 1.00 7.64 ? 526 GLY H H 1 ATOM 3972 H HA2 . GLY B 2 206 ? -17.292 -11.539 17.344 1.00 8.01 ? 526 GLY H HA2 1 ATOM 3973 H HA3 . GLY B 2 206 ? -16.457 -11.107 18.601 1.00 8.01 ? 526 GLY H HA3 1 ATOM 3974 N N . GLY B 2 207 ? -14.491 -10.420 16.491 1.00 6.10 ? 527 GLY H N 1 ATOM 3975 C CA . GLY B 2 207 ? -13.815 -9.396 15.718 1.00 6.38 ? 527 GLY H CA 1 ATOM 3976 C C . GLY B 2 207 ? -14.113 -9.500 14.243 1.00 5.95 ? 527 GLY H C 1 ATOM 3977 O O . GLY B 2 207 ? -14.802 -10.406 13.771 1.00 6.42 ? 527 GLY H O 1 ATOM 3978 H H . GLY B 2 207 ? -14.001 -11.104 16.669 1.00 7.31 ? 527 GLY H H 1 ATOM 3979 H HA2 . GLY B 2 207 ? -14.093 -8.520 16.028 1.00 7.64 ? 527 GLY H HA2 1 ATOM 3980 H HA3 . GLY B 2 207 ? -12.856 -9.477 15.844 1.00 7.64 ? 527 GLY H HA3 1 ATOM 3981 N N . PRO B 2 208 ? -13.576 -8.565 13.468 1.00 6.09 ? 528 PRO H N 1 ATOM 3982 C CA . PRO B 2 208 ? -14.030 -8.383 12.093 1.00 6.51 ? 528 PRO H CA 1 ATOM 3983 C C . PRO B 2 208 ? -13.196 -9.126 11.059 1.00 6.21 ? 528 PRO H C 1 ATOM 3984 O O . PRO B 2 208 ? -11.969 -9.167 11.144 1.00 8.39 ? 528 PRO H O 1 ATOM 3985 C CB . PRO B 2 208 ? -13.900 -6.881 11.905 1.00 7.58 ? 528 PRO H CB 1 ATOM 3986 C CG . PRO B 2 208 ? -12.692 -6.497 12.784 1.00 8.40 ? 528 PRO H CG 1 ATOM 3987 C CD . PRO B 2 208 ? -12.857 -7.394 14.000 1.00 8.15 ? 528 PRO H CD 1 ATOM 3988 H HA . PRO B 2 208 ? -14.971 -8.643 12.005 1.00 7.80 ? 528 PRO H HA 1 ATOM 3989 H HB2 . PRO B 2 208 ? -13.728 -6.679 10.972 1.00 9.09 ? 528 PRO H HB2 1 ATOM 3990 H HB3 . PRO B 2 208 ? -14.706 -6.439 12.213 1.00 9.09 ? 528 PRO H HB3 1 ATOM 3991 H HG2 . PRO B 2 208 ? -11.865 -6.691 12.316 1.00 10.06 ? 528 PRO H HG2 1 ATOM 3992 H HG3 . PRO B 2 208 ? -12.744 -5.560 13.030 1.00 10.06 ? 528 PRO H HG3 1 ATOM 3993 H HD2 . PRO B 2 208 ? -11.990 -7.657 14.346 1.00 9.76 ? 528 PRO H HD2 1 ATOM 3994 H HD3 . PRO B 2 208 ? -13.390 -6.949 14.678 1.00 9.76 ? 528 PRO H HD3 1 ATOM 3995 N N . PHE B 2 209 ? -13.891 -9.626 10.041 1.00 5.55 ? 529 PHE H N 1 ATOM 3996 C CA . PHE B 2 209 ? -13.311 -10.056 8.761 1.00 5.12 ? 529 PHE H CA 1 ATOM 3997 C C . PHE B 2 209 ? -13.674 -8.961 7.782 1.00 5.23 ? 529 PHE H C 1 ATOM 3998 O O . PHE B 2 209 ? -14.852 -8.739 7.509 1.00 5.60 ? 529 PHE H O 1 ATOM 3999 C CB . PHE B 2 209 ? -13.882 -11.414 8.354 1.00 5.90 ? 529 PHE H CB 1 ATOM 4000 C CG . PHE B 2 209 ? -13.358 -11.954 7.054 1.00 6.60 ? 529 PHE H CG 1 ATOM 4001 C CD1 . PHE B 2 209 ? -13.830 -11.488 5.846 1.00 7.25 ? 529 PHE H CD1 1 ATOM 4002 C CD2 . PHE B 2 209 ? -12.449 -13.007 7.055 1.00 8.95 ? 529 PHE H CD2 1 ATOM 4003 C CE1 . PHE B 2 209 ? -13.382 -12.030 4.637 1.00 8.99 ? 529 PHE H CE1 1 ATOM 4004 C CE2 . PHE B 2 209 ? -11.976 -13.534 5.857 1.00 9.95 ? 529 PHE H CE2 1 ATOM 4005 C CZ . PHE B 2 209 ? -12.438 -13.049 4.649 1.00 11.01 ? 529 PHE H CZ 1 ATOM 4006 H H . PHE B 2 209 ? -14.744 -9.733 10.068 1.00 6.65 ? 529 PHE H H 1 ATOM 4007 H HA . PHE B 2 209 ? -12.336 -10.120 8.831 1.00 6.13 ? 529 PHE H HA 1 ATOM 4008 H HB2 . PHE B 2 209 ? -13.669 -12.059 9.047 1.00 7.07 ? 529 PHE H HB2 1 ATOM 4009 H HB3 . PHE B 2 209 ? -14.845 -11.332 8.271 1.00 7.07 ? 529 PHE H HB3 1 ATOM 4010 H HD1 . PHE B 2 209 ? -14.458 -10.801 5.835 1.00 8.68 ? 529 PHE H HD1 1 ATOM 4011 H HD2 . PHE B 2 209 ? -12.126 -13.335 7.863 1.00 10.72 ? 529 PHE H HD2 1 ATOM 4012 H HE1 . PHE B 2 209 ? -13.692 -11.689 3.829 1.00 10.78 ? 529 PHE H HE1 1 ATOM 4013 H HE2 . PHE B 2 209 ? -11.355 -14.226 5.870 1.00 11.93 ? 529 PHE H HE2 1 ATOM 4014 H HZ . PHE B 2 209 ? -12.129 -13.410 3.849 1.00 13.20 ? 529 PHE H HZ 1 ATOM 4015 N N . VAL B 2 210 ? -12.661 -8.241 7.282 1.00 4.99 ? 530 VAL H N 1 ATOM 4016 C CA . VAL B 2 210 ? -12.884 -7.072 6.453 1.00 5.53 ? 530 VAL H CA 1 ATOM 4017 C C . VAL B 2 210 ? -12.339 -7.297 5.053 1.00 6.18 ? 530 VAL H C 1 ATOM 4018 O O . VAL B 2 210 ? -11.451 -8.118 4.844 1.00 6.50 ? 530 VAL H O 1 ATOM 4019 C CB . VAL B 2 210 ? -12.272 -5.797 7.088 1.00 6.27 ? 530 VAL H CB 1 ATOM 4020 C CG1 . VAL B 2 210 ? -12.880 -5.526 8.455 1.00 6.90 ? 530 VAL H CG1 1 ATOM 4021 C CG2 . VAL B 2 210 ? -10.745 -5.849 7.167 1.00 7.13 ? 530 VAL H CG2 1 ATOM 4022 H H . VAL B 2 210 ? -11.830 -8.419 7.415 1.00 5.97 ? 530 VAL H H 1 ATOM 4023 H HA . VAL B 2 210 ? -13.850 -6.927 6.374 1.00 6.62 ? 530 VAL H HA 1 ATOM 4024 H HB . VAL B 2 210 ? -12.502 -5.036 6.516 1.00 7.50 ? 530 VAL H HB 1 ATOM 4025 H HG11 . VAL B 2 210 ? -12.482 -4.733 8.821 1.00 8.26 ? 530 VAL H HG11 1 ATOM 4026 H HG12 . VAL B 2 210 ? -13.827 -5.402 8.356 1.00 8.26 ? 530 VAL H HG12 1 ATOM 4027 H HG13 . VAL B 2 210 ? -12.706 -6.275 9.028 1.00 8.26 ? 530 VAL H HG13 1 ATOM 4028 H HG21 . VAL B 2 210 ? -10.426 -5.037 7.567 1.00 8.55 ? 530 VAL H HG21 1 ATOM 4029 H HG22 . VAL B 2 210 ? -10.486 -6.602 7.703 1.00 8.55 ? 530 VAL H HG22 1 ATOM 4030 H HG23 . VAL B 2 210 ? -10.389 -5.940 6.280 1.00 8.55 ? 530 VAL H HG23 1 ATOM 4031 N N . MET B 2 211 ? -12.862 -6.530 4.110 1.00 5.57 ? 531 MET H N 1 ATOM 4032 C CA . MET B 2 211 ? -12.358 -6.521 2.739 1.00 6.03 ? 531 MET H CA 1 ATOM 4033 C C . MET B 2 211 ? -12.239 -5.061 2.296 1.00 6.72 ? 531 MET H C 1 ATOM 4034 O O . MET B 2 211 ? -13.059 -4.232 2.671 1.00 7.16 ? 531 MET H O 1 ATOM 4035 C CB . MET B 2 211 ? -13.332 -7.281 1.821 1.00 6.53 ? 531 MET H CB 1 ATOM 4036 C CG . MET B 2 211 ? -13.393 -8.743 2.171 1.00 7.66 ? 531 MET H CG 1 ATOM 4037 S SD . MET B 2 211 ? -14.385 -9.734 1.040 1.00 8.00 ? 531 MET H SD 1 ATOM 4038 C CE . MET B 2 211 ? -13.241 -9.865 -0.320 1.00 9.59 ? 531 MET H CE 1 ATOM 4039 H H . MET B 2 211 ? -13.523 -5.994 4.239 1.00 6.67 ? 531 MET H H 1 ATOM 4040 H HA . MET B 2 211 ? -11.480 -6.955 2.702 1.00 7.22 ? 531 MET H HA 1 ATOM 4041 H HB2 . MET B 2 211 ? -14.222 -6.908 1.919 1.00 7.82 ? 531 MET H HB2 1 ATOM 4042 H HB3 . MET B 2 211 ? -13.034 -7.200 0.901 1.00 7.82 ? 531 MET H HB3 1 ATOM 4043 H HG2 . MET B 2 211 ? -12.491 -9.102 2.164 1.00 9.18 ? 531 MET H HG2 1 ATOM 4044 H HG3 . MET B 2 211 ? -13.775 -8.835 3.057 1.00 9.18 ? 531 MET H HG3 1 ATOM 4045 H HE1 . MET B 2 211 ? -13.646 -10.384 -1.019 1.00 11.50 ? 531 MET H HE1 1 ATOM 4046 H HE2 . MET B 2 211 ? -13.036 -8.984 -0.641 1.00 11.50 ? 531 MET H HE2 1 ATOM 4047 H HE3 . MET B 2 211 ? -12.440 -10.297 -0.014 1.00 11.50 ? 531 MET H HE3 1 ATOM 4048 N N . LYS B 2 212 ? -11.214 -4.761 1.514 1.00 6.73 ? 532 LYS H N 1 ATOM 4049 C CA . LYS B 2 212 ? -11.051 -3.423 0.946 1.00 7.09 ? 532 LYS H CA 1 ATOM 4050 C C . LYS B 2 212 ? -11.702 -3.410 -0.427 1.00 6.91 ? 532 LYS H C 1 ATOM 4051 O O . LYS B 2 212 ? -11.314 -4.150 -1.327 1.00 8.25 ? 532 LYS H O 1 ATOM 4052 C CB . LYS B 2 212 ? -9.586 -2.989 0.881 1.00 8.16 ? 532 LYS H CB 1 ATOM 4053 C CG . LYS B 2 212 ? -9.438 -1.535 0.423 1.00 9.10 ? 532 LYS H CG 1 ATOM 4054 C CD . LYS B 2 212 ? -8.053 -0.984 0.599 1.00 10.82 ? 532 LYS H CD 1 ATOM 4055 C CE . LYS B 2 212 ? -7.970 0.432 0.038 1.00 11.92 ? 532 LYS H CE 1 ATOM 4056 N NZ . LYS B 2 212 ? -6.752 1.144 0.451 1.00 13.01 ? 532 LYS H NZ 1 ATOM 4057 H H . LYS B 2 212 ? -10.593 -5.313 1.294 1.00 8.06 ? 532 LYS H H 1 ATOM 4058 H HA . LYS B 2 212 ? -11.528 -2.780 1.510 1.00 8.49 ? 532 LYS H HA 1 ATOM 4059 H HB2 . LYS B 2 212 ? -9.191 -3.071 1.763 1.00 9.78 ? 532 LYS H HB2 1 ATOM 4060 H HB3 . LYS B 2 212 ? -9.114 -3.555 0.250 1.00 9.78 ? 532 LYS H HB3 1 ATOM 4061 H HG2 . LYS B 2 212 ? -9.662 -1.480 -0.519 1.00 10.91 ? 532 LYS H HG2 1 ATOM 4062 H HG3 . LYS B 2 212 ? -10.045 -0.982 0.939 1.00 10.91 ? 532 LYS H HG3 1 ATOM 4063 H HD2 . LYS B 2 212 ? -7.834 -0.954 1.543 1.00 12.97 ? 532 LYS H HD2 1 ATOM 4064 H HD3 . LYS B 2 212 ? -7.419 -1.542 0.121 1.00 12.97 ? 532 LYS H HD3 1 ATOM 4065 H HE2 . LYS B 2 212 ? -7.976 0.387 -0.931 1.00 14.29 ? 532 LYS H HE2 1 ATOM 4066 H HE3 . LYS B 2 212 ? -8.734 0.940 0.350 1.00 14.29 ? 532 LYS H HE3 1 ATOM 4067 H HZ1 . LYS B 2 212 ? -6.745 1.963 0.102 1.00 15.60 ? 532 LYS H HZ1 1 ATOM 4068 H HZ2 . LYS B 2 212 ? -6.723 1.208 1.338 1.00 15.60 ? 532 LYS H HZ2 1 ATOM 4069 H HZ3 . LYS B 2 212 ? -6.032 0.704 0.169 1.00 15.60 ? 532 LYS H HZ3 1 ATOM 4070 N N . SER B 2 213 ? -12.713 -2.586 -0.584 1.00 6.80 ? 533 SER H N 1 ATOM 4071 C CA . SER B 2 213 ? -13.454 -2.542 -1.823 1.00 7.47 ? 533 SER H CA 1 ATOM 4072 C C . SER B 2 213 ? -12.634 -1.908 -2.931 1.00 8.06 ? 533 SER H C 1 ATOM 4073 O O . SER B 2 213 ? -12.115 -0.818 -2.771 1.00 9.37 ? 533 SER H O 1 ATOM 4074 C CB . SER B 2 213 ? -14.721 -1.729 -1.656 1.00 8.41 ? 533 SER H CB 1 ATOM 4075 O OG . SER B 2 213 ? -15.329 -1.550 -2.929 1.00 10.04 ? 533 SER H OG 1 ATOM 4076 H H . SER B 2 213 ? -12.994 -2.038 0.016 1.00 8.15 ? 533 SER H H 1 ATOM 4077 H HA . SER B 2 213 ? -13.698 -3.451 -2.095 1.00 8.94 ? 533 SER H HA 1 ATOM 4078 H HB2 . SER B 2 213 ? -15.332 -2.203 -1.072 1.00 10.08 ? 533 SER H HB2 1 ATOM 4079 H HB3 . SER B 2 213 ? -14.499 -0.862 -1.281 1.00 10.08 ? 533 SER H HB3 1 ATOM 4080 H HG . SER B 2 213 ? -16.017 -1.110 -2.851 1.00 12.03 ? 533 SER H HG 1 ATOM 4081 N N . PRO B 2 214 ? -12.553 -2.578 -4.098 1.00 8.15 ? 534 PRO H N 1 ATOM 4082 C CA . PRO B 2 214 ? -11.861 -1.975 -5.232 1.00 10.46 ? 534 PRO H CA 1 ATOM 4083 C C . PRO B 2 214 ? -12.737 -0.898 -5.885 1.00 10.80 ? 534 PRO H C 1 ATOM 4084 O O . PRO B 2 214 ? -12.236 -0.112 -6.697 1.00 13.59 ? 534 PRO H O 1 ATOM 4085 C CB . PRO B 2 214 ? -11.652 -3.171 -6.145 1.00 12.64 ? 534 PRO H CB 1 ATOM 4086 C CG . PRO B 2 214 ? -12.855 -4.033 -5.897 1.00 12.31 ? 534 PRO H CG 1 ATOM 4087 C CD . PRO B 2 214 ? -13.089 -3.902 -4.433 1.00 9.44 ? 534 PRO H CD 1 ATOM 4088 H HA . PRO B 2 214 ? -10.998 -1.597 -4.963 1.00 12.54 ? 534 PRO H HA 1 ATOM 4089 H HB2 . PRO B 2 214 ? -11.620 -2.880 -7.069 1.00 15.15 ? 534 PRO H HB2 1 ATOM 4090 H HB3 . PRO B 2 214 ? -10.837 -3.636 -5.898 1.00 15.15 ? 534 PRO H HB3 1 ATOM 4091 H HG2 . PRO B 2 214 ? -13.612 -3.696 -6.401 1.00 14.76 ? 534 PRO H HG2 1 ATOM 4092 H HG3 . PRO B 2 214 ? -12.659 -4.952 -6.137 1.00 14.76 ? 534 PRO H HG3 1 ATOM 4093 H HD2 . PRO B 2 214 ? -14.039 -3.939 -4.240 1.00 11.31 ? 534 PRO H HD2 1 ATOM 4094 H HD3 . PRO B 2 214 ? -12.604 -4.592 -3.952 1.00 11.31 ? 534 PRO H HD3 1 ATOM 4095 N N . PHE B 2 215 ? -14.028 -0.836 -5.510 1.00 9.61 ? 535 PHE H N 1 ATOM 4096 C CA . PHE B 2 215 ? -14.941 0.131 -6.127 1.00 10.90 ? 535 PHE H CA 1 ATOM 4097 C C . PHE B 2 215 ? -14.806 1.535 -5.549 1.00 10.51 ? 535 PHE H C 1 ATOM 4098 O O . PHE B 2 215 ? -15.006 2.504 -6.281 1.00 12.20 ? 535 PHE H O 1 ATOM 4099 C CB . PHE B 2 215 ? -16.400 -0.357 -6.021 1.00 11.31 ? 535 PHE H CB 1 ATOM 4100 C CG . PHE B 2 215 ? -16.613 -1.728 -6.592 1.00 11.11 ? 535 PHE H CG 1 ATOM 4101 C CD1 . PHE B 2 215 ? -16.441 -1.958 -7.932 1.00 13.96 ? 535 PHE H CD1 1 ATOM 4102 C CD2 . PHE B 2 215 ? -16.908 -2.802 -5.771 1.00 12.51 ? 535 PHE H CD2 1 ATOM 4103 C CE1 . PHE B 2 215 ? -16.623 -3.209 -8.457 1.00 15.31 ? 535 PHE H CE1 1 ATOM 4104 C CE2 . PHE B 2 215 ? -17.073 -4.057 -6.301 1.00 14.46 ? 535 PHE H CE2 1 ATOM 4105 C CZ . PHE B 2 215 ? -16.925 -4.249 -7.664 1.00 15.75 ? 535 PHE H CZ 1 ATOM 4106 H H . PHE B 2 215 ? -14.389 -1.337 -4.912 1.00 11.52 ? 535 PHE H H 1 ATOM 4107 H HA . PHE B 2 215 ? -14.724 0.190 -7.081 1.00 13.06 ? 535 PHE H HA 1 ATOM 4108 H HB2 . PHE B 2 215 ? -16.655 -0.382 -5.085 1.00 13.56 ? 535 PHE H HB2 1 ATOM 4109 H HB3 . PHE B 2 215 ? -16.973 0.259 -6.503 1.00 13.56 ? 535 PHE H HB3 1 ATOM 4110 H HD1 . PHE B 2 215 ? -16.238 -1.248 -8.497 1.00 16.73 ? 535 PHE H HD1 1 ATOM 4111 H HD2 . PHE B 2 215 ? -17.012 -2.670 -4.857 1.00 14.99 ? 535 PHE H HD2 1 ATOM 4112 H HE1 . PHE B 2 215 ? -16.516 -3.344 -9.371 1.00 18.36 ? 535 PHE H HE1 1 ATOM 4113 H HE2 . PHE B 2 215 ? -17.289 -4.773 -5.749 1.00 17.33 ? 535 PHE H HE2 1 ATOM 4114 H HZ . PHE B 2 215 ? -17.038 -5.096 -8.031 1.00 18.89 ? 535 PHE H HZ 1 ATOM 4115 N N . ASN B 2 216 ? -14.521 1.631 -4.254 1.00 9.98 ? 536 ASN H N 1 ATOM 4116 C CA . ASN B 2 216 ? -14.437 2.929 -3.599 1.00 10.22 ? 536 ASN H CA 1 ATOM 4117 C C . ASN B 2 216 ? -13.307 3.072 -2.601 1.00 9.79 ? 536 ASN H C 1 ATOM 4118 O O . ASN B 2 216 ? -13.237 4.085 -1.914 1.00 10.79 ? 536 ASN H O 1 ATOM 4119 C CB . ASN B 2 216 ? -15.768 3.326 -2.950 1.00 11.18 ? 536 ASN H CB 1 ATOM 4120 C CG . ASN B 2 216 ? -16.187 2.367 -1.873 1.00 10.87 ? 536 ASN H CG 1 ATOM 4121 O OD1 . ASN B 2 216 ? -15.411 1.507 -1.460 1.00 9.75 ? 536 ASN H OD1 1 ATOM 4122 N ND2 . ASN B 2 216 ? -17.405 2.536 -1.365 1.00 13.33 ? 536 ASN H ND2 1 ATOM 4123 H H . ASN B 2 216 ? -14.371 0.961 -3.736 1.00 11.96 ? 536 ASN H H 1 ATOM 4124 H HA . ASN B 2 216 ? -14.267 3.594 -4.299 1.00 12.25 ? 536 ASN H HA 1 ATOM 4125 H HB2 . ASN B 2 216 ? -15.676 4.205 -2.551 1.00 13.40 ? 536 ASN H HB2 1 ATOM 4126 H HB3 . ASN B 2 216 ? -16.461 3.338 -3.628 1.00 13.40 ? 536 ASN H HB3 1 ATOM 4127 H HD21 . ASN B 2 216 ? -17.690 2.012 -0.746 1.00 15.98 ? 536 ASN H HD21 1 ATOM 4128 H HD22 . ASN B 2 216 ? -17.908 3.171 -1.656 1.00 15.98 ? 536 ASN H HD22 1 ATOM 4129 N N . ASN B 2 217 ? -12.421 2.075 -2.523 1.00 9.47 ? 537 ASN H N 1 ATOM 4130 C CA . ASN B 2 217 ? -11.249 2.084 -1.652 1.00 10.23 ? 537 ASN H CA 1 ATOM 4131 C C . ASN B 2 217 ? -11.588 2.094 -0.169 1.00 10.38 ? 537 ASN H C 1 ATOM 4132 O O . ASN B 2 217 ? -10.720 2.340 0.640 1.00 13.25 ? 537 ASN H O 1 ATOM 4133 C CB . ASN B 2 217 ? -10.292 3.212 -1.985 1.00 12.17 ? 537 ASN H CB 1 ATOM 4134 C CG . ASN B 2 217 ? -9.756 3.122 -3.396 1.00 13.14 ? 537 ASN H CG 1 ATOM 4135 O OD1 . ASN B 2 217 ? -9.701 2.043 -4.010 1.00 13.70 ? 537 ASN H OD1 1 ATOM 4136 N ND2 . ASN B 2 217 ? -9.354 4.269 -3.934 1.00 16.96 ? 537 ASN H ND2 1 ATOM 4137 H H . ASN B 2 217 ? -12.485 1.354 -2.987 1.00 11.35 ? 537 ASN H H 1 ATOM 4138 H HA . ASN B 2 217 ? -10.760 1.250 -1.815 1.00 12.26 ? 537 ASN H HA 1 ATOM 4139 H HB2 . ASN B 2 217 ? -10.756 4.058 -1.893 1.00 14.58 ? 537 ASN H HB2 1 ATOM 4140 H HB3 . ASN B 2 217 ? -9.538 3.178 -1.376 1.00 14.58 ? 537 ASN H HB3 1 ATOM 4141 H HD21 . ASN B 2 217 ? -9.039 4.281 -4.734 1.00 20.34 ? 537 ASN H HD21 1 ATOM 4142 H HD22 . ASN B 2 217 ? -9.407 4.998 -3.481 1.00 20.34 ? 537 ASN H HD22 1 ATOM 4143 N N . ARG B 2 218 ? -12.813 1.739 0.207 1.00 9.15 ? 538 ARG H N 1 ATOM 4144 C CA . ARG B 2 218 ? -13.214 1.700 1.615 1.00 8.33 ? 538 ARG H CA 1 ATOM 4145 C C . ARG B 2 218 ? -13.158 0.282 2.141 1.00 7.50 ? 538 ARG H C 1 ATOM 4146 O O . ARG B 2 218 ? -13.401 -0.683 1.398 1.00 7.62 ? 538 ARG H O 1 ATOM 4147 C CB . ARG B 2 218 ? -14.634 2.235 1.801 1.00 10.64 ? 538 ARG H CB 1 ATOM 4148 C CG . ARG B 2 218 ? -14.746 3.703 1.507 1.00 12.85 ? 538 ARG H CG 1 ATOM 4149 C CD . ARG B 2 218 ? -16.129 4.189 1.742 1.00 16.04 ? 538 ARG H CD 1 ATOM 4150 N NE . ARG B 2 218 ? -16.245 5.569 1.298 1.00 20.14 ? 538 ARG H NE 1 ATOM 4151 C CZ . ARG B 2 218 ? -16.479 6.611 2.071 1.00 21.71 ? 538 ARG H CZ 1 ATOM 4152 N NH1 . ARG B 2 218 ? -16.586 7.819 1.493 1.00 22.69 ? 538 ARG H NH1 1 ATOM 4153 N NH2 . ARG B 2 218 ? -16.656 6.461 3.377 1.00 23.91 ? 538 ARG H NH2 1 ATOM 4154 H H . ARG B 2 218 ? -13.439 1.513 -0.339 1.00 10.96 ? 538 ARG H H 1 ATOM 4155 H HA . ARG B 2 218 ? -12.602 2.253 2.144 1.00 9.98 ? 538 ARG H HA 1 ATOM 4156 H HB2 . ARG B 2 218 ? -15.231 1.763 1.200 1.00 12.75 ? 538 ARG H HB2 1 ATOM 4157 H HB3 . ARG B 2 218 ? -14.907 2.092 2.721 1.00 12.75 ? 538 ARG H HB3 1 ATOM 4158 H HG2 . ARG B 2 218 ? -14.146 4.195 2.090 1.00 15.40 ? 538 ARG H HG2 1 ATOM 4159 H HG3 . ARG B 2 218 ? -14.519 3.863 0.577 1.00 15.40 ? 538 ARG H HG3 1 ATOM 4160 H HD2 . ARG B 2 218 ? -16.754 3.647 1.236 1.00 19.23 ? 538 ARG H HD2 1 ATOM 4161 H HD3 . ARG B 2 218 ? -16.331 4.150 2.690 1.00 19.23 ? 538 ARG H HD3 1 ATOM 4162 H HE . ARG B 2 218 ? -16.154 5.719 0.456 1.00 24.15 ? 538 ARG H HE 1 ATOM 4163 H HH11 . ARG B 2 218 ? -16.472 7.901 0.645 1.00 27.21 ? 538 ARG H HH11 1 ATOM 4164 H HH12 . ARG B 2 218 ? -16.737 8.514 1.976 1.00 27.21 ? 538 ARG H HH12 1 ATOM 4165 H HH21 . ARG B 2 218 ? -16.596 5.680 3.732 1.00 28.67 ? 538 ARG H HH21 1 ATOM 4166 H HH22 . ARG B 2 218 ? -16.812 7.147 3.871 1.00 28.67 ? 538 ARG H HH22 1 ATOM 4167 N N . TRP B 2 219 ? -12.918 0.153 3.434 1.00 6.97 ? 539 TRP H N 1 ATOM 4168 C CA . TRP B 2 219 ? -12.973 -1.121 4.118 1.00 6.37 ? 539 TRP H CA 1 ATOM 4169 C C . TRP B 2 219 ? -14.387 -1.413 4.610 1.00 5.63 ? 539 TRP H C 1 ATOM 4170 O O . TRP B 2 219 ? -15.047 -0.574 5.228 1.00 6.90 ? 539 TRP H O 1 ATOM 4171 C CB . TRP B 2 219 ? -11.996 -1.117 5.271 1.00 7.22 ? 539 TRP H CB 1 ATOM 4172 C CG . TRP B 2 219 ? -10.573 -1.030 4.873 1.00 7.15 ? 539 TRP H CG 1 ATOM 4173 C CD1 . TRP B 2 219 ? -9.869 0.108 4.605 1.00 8.27 ? 539 TRP H CD1 1 ATOM 4174 C CD2 . TRP B 2 219 ? -9.684 -2.113 4.647 1.00 7.82 ? 539 TRP H CD2 1 ATOM 4175 N NE1 . TRP B 2 219 ? -8.582 -0.207 4.254 1.00 8.46 ? 539 TRP H NE1 1 ATOM 4176 C CE2 . TRP B 2 219 ? -8.440 -1.571 4.289 1.00 8.31 ? 539 TRP H CE2 1 ATOM 4177 C CE3 . TRP B 2 219 ? -9.808 -3.509 4.744 1.00 7.70 ? 539 TRP H CE3 1 ATOM 4178 C CZ2 . TRP B 2 219 ? -7.331 -2.367 4.025 1.00 9.25 ? 539 TRP H CZ2 1 ATOM 4179 C CZ3 . TRP B 2 219 ? -8.708 -4.297 4.462 1.00 8.25 ? 539 TRP H CZ3 1 ATOM 4180 C CH2 . TRP B 2 219 ? -7.478 -3.722 4.111 1.00 9.16 ? 539 TRP H CH2 1 ATOM 4181 H H . TRP B 2 219 ? -12.714 0.810 3.950 1.00 8.35 ? 539 TRP H H 1 ATOM 4182 H HA . TRP B 2 219 ? -12.712 -1.833 3.497 1.00 7.63 ? 539 TRP H HA 1 ATOM 4183 H HB2 . TRP B 2 219 ? -12.189 -0.354 5.838 1.00 8.65 ? 539 TRP H HB2 1 ATOM 4184 H HB3 . TRP B 2 219 ? -12.109 -1.937 5.777 1.00 8.65 ? 539 TRP H HB3 1 ATOM 4185 H HD1 . TRP B 2 219 ? -10.209 0.971 4.669 1.00 9.91 ? 539 TRP H HD1 1 ATOM 4186 H HE1 . TRP B 2 219 ? -7.961 0.358 4.066 1.00 10.13 ? 539 TRP H HE1 1 ATOM 4187 H HE3 . TRP B 2 219 ? -10.616 -3.896 4.994 1.00 9.23 ? 539 TRP H HE3 1 ATOM 4188 H HZ2 . TRP B 2 219 ? -6.521 -1.989 3.766 1.00 11.09 ? 539 TRP H HZ2 1 ATOM 4189 H HZ3 . TRP B 2 219 ? -8.777 -5.222 4.533 1.00 9.88 ? 539 TRP H HZ3 1 ATOM 4190 H HH2 . TRP B 2 219 ? -6.752 -4.273 3.926 1.00 10.97 ? 539 TRP H HH2 1 ATOM 4191 N N . TYR B 2 220 ? -14.808 -2.643 4.328 1.00 5.92 ? 540 TYR H N 1 ATOM 4192 C CA . TYR B 2 220 ? -16.128 -3.156 4.671 1.00 6.19 ? 540 TYR H CA 1 ATOM 4193 C C . TYR B 2 220 ? -15.961 -4.382 5.568 1.00 5.59 ? 540 TYR H C 1 ATOM 4194 O O . TYR B 2 220 ? -15.136 -5.260 5.294 1.00 6.55 ? 540 TYR H O 1 ATOM 4195 C CB . TYR B 2 220 ? -16.860 -3.611 3.415 1.00 6.98 ? 540 TYR H CB 1 ATOM 4196 C CG . TYR B 2 220 ? -17.385 -2.455 2.596 1.00 6.41 ? 540 TYR H CG 1 ATOM 4197 C CD1 . TYR B 2 220 ? -18.665 -1.958 2.816 1.00 7.79 ? 540 TYR H CD1 1 ATOM 4198 C CD2 . TYR B 2 220 ? -16.587 -1.817 1.646 1.00 8.03 ? 540 TYR H CD2 1 ATOM 4199 C CE1 . TYR B 2 220 ? -19.163 -0.895 2.061 1.00 8.41 ? 540 TYR H CE1 1 ATOM 4200 C CE2 . TYR B 2 220 ? -17.085 -0.762 0.896 1.00 9.05 ? 540 TYR H CE2 1 ATOM 4201 C CZ . TYR B 2 220 ? -18.368 -0.315 1.126 1.00 9.27 ? 540 TYR H CZ 1 ATOM 4202 O OH . TYR B 2 220 ? -18.829 0.722 0.364 1.00 12.08 ? 540 TYR H OH 1 ATOM 4203 H H . TYR B 2 220 ? -14.322 -3.223 3.920 1.00 7.08 ? 540 TYR H H 1 ATOM 4204 H HA . TYR B 2 220 ? -16.657 -2.474 5.136 1.00 7.42 ? 540 TYR H HA 1 ATOM 4205 H HB2 . TYR B 2 220 ? -16.249 -4.119 2.859 1.00 8.36 ? 540 TYR H HB2 1 ATOM 4206 H HB3 . TYR B 2 220 ? -17.614 -4.164 3.671 1.00 8.36 ? 540 TYR H HB3 1 ATOM 4207 H HD1 . TYR B 2 220 ? -19.212 -2.366 3.448 1.00 9.33 ? 540 TYR H HD1 1 ATOM 4208 H HD2 . TYR B 2 220 ? -15.727 -2.130 1.485 1.00 9.62 ? 540 TYR H HD2 1 ATOM 4209 H HE1 . TYR B 2 220 ? -20.028 -0.582 2.202 1.00 10.08 ? 540 TYR H HE1 1 ATOM 4210 H HE2 . TYR B 2 220 ? -16.554 -0.353 0.250 1.00 10.84 ? 540 TYR H HE2 1 ATOM 4211 H HH . TYR B 2 220 ? -19.042 1.351 0.846 1.00 14.48 ? 540 TYR H HH 1 ATOM 4212 N N . GLN B 2 221 ? -16.811 -4.493 6.576 1.00 5.91 ? 541 GLN H N 1 ATOM 4213 C CA . GLN B 2 221 ? -16.843 -5.678 7.420 1.00 5.86 ? 541 GLN H CA 1 ATOM 4214 C C . GLN B 2 221 ? -17.819 -6.690 6.835 1.00 5.90 ? 541 GLN H C 1 ATOM 4215 O O . GLN B 2 221 ? -19.025 -6.511 6.879 1.00 6.53 ? 541 GLN H O 1 ATOM 4216 C CB . GLN B 2 221 ? -17.199 -5.348 8.835 1.00 6.42 ? 541 GLN H CB 1 ATOM 4217 C CG . GLN B 2 221 ? -17.165 -6.602 9.683 1.00 6.56 ? 541 GLN H CG 1 ATOM 4218 C CD . GLN B 2 221 ? -17.365 -6.377 11.125 1.00 6.15 ? 541 GLN H CD 1 ATOM 4219 O OE1 . GLN B 2 221 ? -17.371 -5.241 11.603 1.00 8.09 ? 541 GLN H OE1 1 ATOM 4220 N NE2 . GLN B 2 221 ? -17.454 -7.474 11.874 1.00 6.97 ? 541 GLN H NE2 1 ATOM 4221 H H . GLN B 2 221 ? -17.385 -3.891 6.795 1.00 7.08 ? 541 GLN H H 1 ATOM 4222 H HA . GLN B 2 221 ? -15.952 -6.087 7.423 1.00 7.02 ? 541 GLN H HA 1 ATOM 4223 H HB2 . GLN B 2 221 ? -16.556 -4.716 9.193 1.00 7.69 ? 541 GLN H HB2 1 ATOM 4224 H HB3 . GLN B 2 221 ? -18.095 -4.978 8.867 1.00 7.69 ? 541 GLN H HB3 1 ATOM 4225 H HG2 . GLN B 2 221 ? -17.866 -7.200 9.379 1.00 7.86 ? 541 GLN H HG2 1 ATOM 4226 H HG3 . GLN B 2 221 ? -16.301 -7.029 9.569 1.00 7.86 ? 541 GLN H HG3 1 ATOM 4227 H HE21 . GLN B 2 221 ? -17.571 -7.406 12.724 1.00 8.35 ? 541 GLN H HE21 1 ATOM 4228 H HE22 . GLN B 2 221 ? -17.394 -8.250 11.509 1.00 8.35 ? 541 GLN H HE22 1 ATOM 4229 N N . MET B 2 222 ? -17.263 -7.771 6.285 1.00 5.74 ? 542 MET H N 1 ATOM 4230 C CA . MET B 2 222 ? -18.054 -8.833 5.668 1.00 5.45 ? 542 MET H CA 1 ATOM 4231 C C . MET B 2 222 ? -18.400 -9.923 6.656 1.00 5.09 ? 542 MET H C 1 ATOM 4232 O O . MET B 2 222 ? -19.386 -10.630 6.446 1.00 6.10 ? 542 MET H O 1 ATOM 4233 C CB . MET B 2 222 ? -17.304 -9.435 4.510 1.00 6.19 ? 542 MET H CB 1 ATOM 4234 C CG . MET B 2 222 ? -16.785 -8.404 3.520 1.00 9.61 ? 542 MET H CG 1 ATOM 4235 S SD . MET B 2 222 ? -17.882 -7.156 2.938 1.00 11.48 ? 542 MET H SD 1 ATOM 4236 C CE . MET B 2 222 ? -18.941 -8.200 2.114 1.00 11.46 ? 542 MET H CE 1 ATOM 4237 H H . MET B 2 222 ? -16.415 -7.913 6.258 1.00 6.87 ? 542 MET H H 1 ATOM 4238 H HA . MET B 2 222 ? -18.884 -8.447 5.320 1.00 6.52 ? 542 MET H HA 1 ATOM 4239 H HB2 . MET B 2 222 ? -16.542 -9.928 4.853 1.00 7.42 ? 542 MET H HB2 1 ATOM 4240 H HB3 . MET B 2 222 ? -17.896 -10.035 4.031 1.00 7.42 ? 542 MET H HB3 1 ATOM 4241 H HG2 . MET B 2 222 ? -16.038 -7.946 3.936 1.00 11.52 ? 542 MET H HG2 1 ATOM 4242 H HG3 . MET B 2 222 ? -16.465 -8.881 2.739 1.00 11.52 ? 542 MET H HG3 1 ATOM 4243 H HE1 . MET B 2 222 ? -19.641 -7.681 1.710 1.00 13.74 ? 542 MET H HE1 1 ATOM 4244 H HE2 . MET B 2 222 ? -18.451 -8.672 1.436 1.00 13.74 ? 542 MET H HE2 1 ATOM 4245 H HE3 . MET B 2 222 ? -19.316 -8.823 2.741 1.00 13.74 ? 542 MET H HE3 1 ATOM 4246 N N . GLY B 2 223 ? -17.565 -10.151 7.677 1.00 5.36 ? 543 GLY H N 1 ATOM 4247 C CA . GLY B 2 223 ? -17.777 -11.258 8.593 1.00 5.56 ? 543 GLY H CA 1 ATOM 4248 C C . GLY B 2 223 ? -17.436 -10.906 10.013 1.00 5.26 ? 543 GLY H C 1 ATOM 4249 O O . GLY B 2 223 ? -16.802 -9.886 10.304 1.00 5.59 ? 543 GLY H O 1 ATOM 4250 H H . GLY B 2 223 ? -16.871 -9.675 7.854 1.00 6.41 ? 543 GLY H H 1 ATOM 4251 H HA2 . GLY B 2 223 ? -18.707 -11.531 8.559 1.00 6.66 ? 543 GLY H HA2 1 ATOM 4252 H HA3 . GLY B 2 223 ? -17.226 -12.009 8.323 1.00 6.66 ? 543 GLY H HA3 1 ATOM 4253 N N . ILE B 2 224 ? -17.905 -11.761 10.917 1.00 5.21 ? 544 ILE H N 1 ATOM 4254 C CA . ILE B 2 224 ? -17.565 -11.721 12.324 1.00 5.98 ? 544 ILE H CA 1 ATOM 4255 C C . ILE B 2 224 ? -16.963 -13.090 12.677 1.00 5.85 ? 544 ILE H C 1 ATOM 4256 O O . ILE B 2 224 ? -17.539 -14.114 12.361 1.00 6.05 ? 544 ILE H O 1 ATOM 4257 C CB . ILE B 2 224 ? -18.816 -11.499 13.201 1.00 5.84 ? 544 ILE H CB 1 ATOM 4258 C CG1 . ILE B 2 224 ? -19.537 -10.203 12.835 1.00 6.75 ? 544 ILE H CG1 1 ATOM 4259 C CG2 . ILE B 2 224 ? -18.443 -11.503 14.662 1.00 7.43 ? 544 ILE H CG2 1 ATOM 4260 C CD1 . ILE B 2 224 ? -20.934 -10.101 13.394 1.00 7.88 ? 544 ILE H CD1 1 ATOM 4261 H H . ILE B 2 224 ? -18.445 -12.400 10.722 1.00 6.24 ? 544 ILE H H 1 ATOM 4262 H HA . ILE B 2 224 ? -16.908 -11.016 12.502 1.00 7.16 ? 544 ILE H HA 1 ATOM 4263 H HB . ILE B 2 224 ? -19.427 -12.236 13.044 1.00 7.00 ? 544 ILE H HB 1 ATOM 4264 H HG12 . ILE B 2 224 ? -19.026 -9.454 13.178 1.00 8.09 ? 544 ILE H HG12 1 ATOM 4265 H HG13 . ILE B 2 224 ? -19.600 -10.143 11.869 1.00 8.09 ? 544 ILE H HG13 1 ATOM 4266 H HG21 . ILE B 2 224 ? -19.235 -11.364 15.187 1.00 8.90 ? 544 ILE H HG21 1 ATOM 4267 H HG22 . ILE B 2 224 ? -18.049 -12.351 14.881 1.00 8.90 ? 544 ILE H HG22 1 ATOM 4268 H HG23 . ILE B 2 224 ? -17.813 -10.798 14.825 1.00 8.90 ? 544 ILE H HG23 1 ATOM 4269 H HD11 . ILE B 2 224 ? -21.318 -9.264 13.123 1.00 9.44 ? 544 ILE H HD11 1 ATOM 4270 H HD12 . ILE B 2 224 ? -21.460 -10.829 13.055 1.00 9.44 ? 544 ILE H HD12 1 ATOM 4271 H HD13 . ILE B 2 224 ? -20.890 -10.147 14.352 1.00 9.44 ? 544 ILE H HD13 1 ATOM 4272 N N . VAL B 2 225 ? -15.807 -13.113 13.349 1.00 5.79 ? 545 VAL H N 1 ATOM 4273 C CA . VAL B 2 225 ? -15.208 -14.370 13.774 1.00 5.59 ? 545 VAL H CA 1 ATOM 4274 C C . VAL B 2 225 ? -16.193 -15.129 14.677 1.00 5.53 ? 545 VAL H C 1 ATOM 4275 O O . VAL B 2 225 ? -16.574 -14.610 15.727 1.00 6.45 ? 545 VAL H O 1 ATOM 4276 C CB . VAL B 2 225 ? -13.883 -14.122 14.538 1.00 7.02 ? 545 VAL H CB 1 ATOM 4277 C CG1 . VAL B 2 225 ? -13.319 -15.460 15.054 1.00 7.40 ? 545 VAL H CG1 1 ATOM 4278 C CG2 . VAL B 2 225 ? -12.855 -13.393 13.681 1.00 7.24 ? 545 VAL H CG2 1 ATOM 4279 H H . VAL B 2 225 ? -15.355 -12.414 13.569 1.00 6.93 ? 545 VAL H H 1 ATOM 4280 H HA . VAL B 2 225 ? -15.016 -14.923 12.988 1.00 6.70 ? 545 VAL H HA 1 ATOM 4281 H HB . VAL B 2 225 ? -14.072 -13.559 15.317 1.00 8.41 ? 545 VAL H HB 1 ATOM 4282 H HG11 . VAL B 2 225 ? -12.499 -15.292 15.524 1.00 8.86 ? 545 VAL H HG11 1 ATOM 4283 H HG12 . VAL B 2 225 ? -13.960 -15.862 15.644 1.00 8.86 ? 545 VAL H HG12 1 ATOM 4284 H HG13 . VAL B 2 225 ? -13.155 -16.039 14.305 1.00 8.86 ? 545 VAL H HG13 1 ATOM 4285 H HG21 . VAL B 2 225 ? -12.056 -13.263 14.196 1.00 8.67 ? 545 VAL H HG21 1 ATOM 4286 H HG22 . VAL B 2 225 ? -12.663 -13.924 12.905 1.00 8.67 ? 545 VAL H HG22 1 ATOM 4287 H HG23 . VAL B 2 225 ? -13.216 -12.544 13.416 1.00 8.67 ? 545 VAL H HG23 1 ATOM 4288 N N . SER B 2 226 ? -16.607 -16.326 14.258 1.00 5.89 ? 546 SER H N 1 ATOM 4289 C CA . SER B 2 226 ? -17.714 -17.010 14.920 1.00 6.29 ? 546 SER H CA 1 ATOM 4290 C C . SER B 2 226 ? -17.339 -18.362 15.499 1.00 6.81 ? 546 SER H C 1 ATOM 4291 O O . SER B 2 226 ? -17.508 -18.579 16.701 1.00 8.12 ? 546 SER H O 1 ATOM 4292 C CB . SER B 2 226 ? -18.872 -17.123 13.926 1.00 6.56 ? 546 SER H CB 1 ATOM 4293 O OG . SER B 2 226 ? -19.968 -17.815 14.479 1.00 6.90 ? 546 SER H OG 1 ATOM 4294 H H . SER B 2 226 ? -16.267 -16.758 13.597 1.00 7.05 ? 546 SER H H 1 ATOM 4295 H HA . SER B 2 226 ? -18.021 -16.450 15.663 1.00 7.53 ? 546 SER H HA 1 ATOM 4296 H HB2 . SER B 2 226 ? -19.158 -16.231 13.676 1.00 7.86 ? 546 SER H HB2 1 ATOM 4297 H HB3 . SER B 2 226 ? -18.564 -17.602 13.140 1.00 7.86 ? 546 SER H HB3 1 ATOM 4298 H HG . SER B 2 226 ? -19.798 -18.041 15.248 1.00 8.27 ? 546 SER H HG 1 ATOM 4299 N N . TRP B 2 227 ? -16.835 -19.300 14.690 1.00 7.09 ? 547 TRP H N 1 ATOM 4300 C CA . TRP B 2 227 ? -16.599 -20.636 15.217 1.00 7.42 ? 547 TRP H CA 1 ATOM 4301 C C . TRP B 2 227 ? -15.534 -21.356 14.375 1.00 7.24 ? 547 TRP H C 1 ATOM 4302 O O . TRP B 2 227 ? -15.165 -20.918 13.286 1.00 7.61 ? 547 TRP H O 1 ATOM 4303 C CB . TRP B 2 227 ? -17.909 -21.453 15.313 1.00 8.01 ? 547 TRP H CB 1 ATOM 4304 C CG . TRP B 2 227 ? -18.636 -21.760 14.089 1.00 7.39 ? 547 TRP H CG 1 ATOM 4305 C CD1 . TRP B 2 227 ? -19.606 -20.995 13.530 1.00 8.31 ? 547 TRP H CD1 1 ATOM 4306 C CD2 . TRP B 2 227 ? -18.547 -22.948 13.287 1.00 8.78 ? 547 TRP H CD2 1 ATOM 4307 N NE1 . TRP B 2 227 ? -20.141 -21.615 12.434 1.00 8.76 ? 547 TRP H NE1 1 ATOM 4308 C CE2 . TRP B 2 227 ? -19.508 -22.821 12.263 1.00 9.49 ? 547 TRP H CE2 1 ATOM 4309 C CE3 . TRP B 2 227 ? -17.765 -24.110 13.348 1.00 10.47 ? 547 TRP H CE3 1 ATOM 4310 C CZ2 . TRP B 2 227 ? -19.706 -23.796 11.293 1.00 12.16 ? 547 TRP H CZ2 1 ATOM 4311 C CZ3 . TRP B 2 227 ? -18.010 -25.108 12.390 1.00 12.42 ? 547 TRP H CZ3 1 ATOM 4312 C CH2 . TRP B 2 227 ? -18.964 -24.939 11.380 1.00 13.34 ? 547 TRP H CH2 1 ATOM 4313 H H . TRP B 2 227 ? -16.631 -19.189 13.863 1.00 8.49 ? 547 TRP H H 1 ATOM 4314 H HA . TRP B 2 227 ? -16.242 -20.550 16.126 1.00 8.89 ? 547 TRP H HA 1 ATOM 4315 H HB2 . TRP B 2 227 ? -17.697 -22.302 15.732 1.00 9.59 ? 547 TRP H HB2 1 ATOM 4316 H HB3 . TRP B 2 227 ? -18.520 -20.964 15.885 1.00 9.59 ? 547 TRP H HB3 1 ATOM 4317 H HD1 . TRP B 2 227 ? -19.872 -20.163 13.850 1.00 9.96 ? 547 TRP H HD1 1 ATOM 4318 H HE1 . TRP B 2 227 ? -20.757 -21.295 11.926 1.00 10.50 ? 547 TRP H HE1 1 ATOM 4319 H HE3 . TRP B 2 227 ? -17.155 -24.244 14.037 1.00 12.55 ? 547 TRP H HE3 1 ATOM 4320 H HZ2 . TRP B 2 227 ? -20.341 -23.685 10.623 1.00 14.58 ? 547 TRP H HZ2 1 ATOM 4321 H HZ3 . TRP B 2 227 ? -17.494 -25.882 12.400 1.00 14.89 ? 547 TRP H HZ3 1 ATOM 4322 H HH2 . TRP B 2 227 ? -19.062 -25.597 10.730 1.00 16.00 ? 547 TRP H HH2 1 ATOM 4323 N N . GLY B 2 228 ? -15.023 -22.459 14.932 1.00 8.46 ? 548 GLY H N 1 ATOM 4324 C CA . GLY B 2 228 ? -14.060 -23.285 14.230 1.00 9.30 ? 548 GLY H CA 1 ATOM 4325 C C . GLY B 2 228 ? -13.807 -24.519 15.055 1.00 10.09 ? 548 GLY H C 1 ATOM 4326 O O . GLY B 2 228 ? -14.337 -24.658 16.130 1.00 15.49 ? 548 GLY H O 1 ATOM 4327 H H . GLY B 2 228 ? -15.224 -22.745 15.718 1.00 10.14 ? 548 GLY H H 1 ATOM 4328 H HA2 . GLY B 2 228 ? -14.408 -23.545 13.363 1.00 11.14 ? 548 GLY H HA2 1 ATOM 4329 H HA3 . GLY B 2 228 ? -13.226 -22.803 14.110 1.00 11.14 ? 548 GLY H HA3 1 ATOM 4330 N N . GLU B 2 229 ? -13.038 -25.436 14.528 1.00 9.94 ? 549 GLU H N 1 ATOM 4331 C CA . GLU B 2 229 ? -12.733 -26.677 15.220 1.00 10.59 ? 549 GLU H CA 1 ATOM 4332 C C . GLU B 2 229 ? -11.219 -26.728 15.307 1.00 11.20 ? 549 GLU H C 1 ATOM 4333 O O . GLU B 2 229 ? -10.522 -26.977 14.328 1.00 12.31 ? 549 GLU H O 1 ATOM 4334 C CB . GLU B 2 229 ? -13.355 -27.848 14.466 1.00 12.08 ? 549 GLU H CB 1 ATOM 4335 C CG . GLU B 2 229 ? -14.883 -27.836 14.603 1.00 14.50 ? 549 GLU H CG 1 ATOM 4336 C CD . GLU B 2 229 ? -15.573 -28.806 13.695 1.00 16.99 ? 549 GLU H CD 1 ATOM 4337 O OE1 . GLU B 2 229 ? -15.515 -28.619 12.468 1.00 15.52 ? 549 GLU H OE1 1 ATOM 4338 O OE2 . GLU B 2 229 ? -16.210 -29.743 14.217 1.00 22.92 ? 549 GLU H OE2 1 ATOM 4339 H H . GLU B 2 229 ? -12.668 -25.369 13.754 1.00 11.92 ? 549 GLU H H 1 ATOM 4340 H HA . GLU B 2 229 ? -13.102 -26.652 16.128 1.00 12.69 ? 549 GLU H HA 1 ATOM 4341 H HB2 . GLU B 2 229 ? -13.131 -27.780 13.525 1.00 14.48 ? 549 GLU H HB2 1 ATOM 4342 H HB3 . GLU B 2 229 ? -13.021 -28.682 14.834 1.00 14.48 ? 549 GLU H HB3 1 ATOM 4343 H HG2 . GLU B 2 229 ? -15.118 -28.064 15.516 1.00 17.39 ? 549 GLU H HG2 1 ATOM 4344 H HG3 . GLU B 2 229 ? -15.209 -26.947 14.391 1.00 17.39 ? 549 GLU H HG3 1 ATOM 4345 N N . GLY B 2 230 ? -10.705 -26.405 16.477 1.00 11.49 ? 550 GLY H N 1 ATOM 4346 C CA . GLY B 2 230 ? -9.283 -26.147 16.628 1.00 11.05 ? 550 GLY H CA 1 ATOM 4347 C C . GLY B 2 230 ? -8.919 -24.823 15.968 1.00 10.85 ? 550 GLY H C 1 ATOM 4348 O O . GLY B 2 230 ? -9.778 -23.977 15.752 1.00 11.49 ? 550 GLY H O 1 ATOM 4349 H H . GLY B 2 230 ? -11.158 -26.328 17.204 1.00 13.77 ? 550 GLY H H 1 ATOM 4350 H HA2 . GLY B 2 230 ? -9.053 -26.104 17.570 1.00 13.25 ? 550 GLY H HA2 1 ATOM 4351 H HA3 . GLY B 2 230 ? -8.772 -26.858 16.212 1.00 13.25 ? 550 GLY H HA3 1 ATOM 4352 N N . CYS B 2 231 ? -7.645 -24.595 15.688 1.00 10.23 ? 551 CYS H N 1 ATOM 4353 C CA . CYS B 2 231 ? -7.244 -23.425 14.926 1.00 9.94 ? 551 CYS H CA 1 ATOM 4354 C C . CYS B 2 231 ? -6.162 -23.835 13.968 1.00 10.09 ? 551 CYS H C 1 ATOM 4355 O O . CYS B 2 231 ? -5.234 -24.569 14.329 1.00 11.21 ? 551 CYS H O 1 ATOM 4356 C CB . CYS B 2 231 ? -6.729 -22.325 15.838 1.00 12.19 ? 551 CYS H CB 1 ATOM 4357 S SG . CYS B 2 231 ? -7.806 -21.891 17.181 1.00 13.15 ? 551 CYS H SG 1 ATOM 4358 H H . CYS B 2 231 ? -6.994 -25.103 15.927 1.00 12.26 ? 551 CYS H H 1 ATOM 4359 H HA . CYS B 2 231 ? -8.007 -23.083 14.415 1.00 11.91 ? 551 CYS H HA 1 ATOM 4360 H HB2 . CYS B 2 231 ? -5.886 -22.612 16.222 1.00 14.62 ? 551 CYS H HB2 1 ATOM 4361 H HB3 . CYS B 2 231 ? -6.588 -21.525 15.306 1.00 14.62 ? 551 CYS H HB3 1 ATOM 4362 N N . ASP B 2 232 ? -6.292 -23.388 12.739 1.00 8.71 ? 552 ASP H N 1 ATOM 4363 C CA . ASP B 2 232 ? -5.299 -23.640 11.682 1.00 9.06 ? 552 ASP H CA 1 ATOM 4364 C C . ASP B 2 232 ? -5.033 -25.116 11.424 1.00 9.84 ? 552 ASP H C 1 ATOM 4365 O O . ASP B 2 232 ? -3.940 -25.463 11.031 1.00 11.32 ? 552 ASP H O 1 ATOM 4366 C CB . ASP B 2 232 ? -3.975 -22.916 11.976 1.00 10.03 ? 552 ASP H CB 1 ATOM 4367 C CG . ASP B 2 232 ? -3.075 -22.781 10.778 1.00 11.13 ? 552 ASP H CG 1 ATOM 4368 O OD1 . ASP B 2 232 ? -3.588 -22.435 9.680 1.00 11.33 ? 552 ASP H OD1 1 ATOM 4369 O OD2 . ASP B 2 232 ? -1.852 -22.987 10.947 1.00 12.48 ? 552 ASP H OD2 1 ATOM 4370 H H . ASP B 2 232 ? -6.963 -22.921 12.471 1.00 10.43 ? 552 ASP H H 1 ATOM 4371 H HA . ASP B 2 232 ? -5.649 -23.264 10.847 1.00 10.86 ? 552 ASP H HA 1 ATOM 4372 H HB2 . ASP B 2 232 ? -4.172 -22.023 12.301 1.00 12.02 ? 552 ASP H HB2 1 ATOM 4373 H HB3 . ASP B 2 232 ? -3.491 -23.413 12.655 1.00 12.02 ? 552 ASP H HB3 1 ATOM 4374 N N . ARG B 2 233 ? -6.024 -25.976 11.581 1.00 9.83 ? 553 ARG H N 1 ATOM 4375 C CA . ARG B 2 233 ? -5.858 -27.380 11.248 1.00 10.62 ? 553 ARG H CA 1 ATOM 4376 C C . ARG B 2 233 ? -5.981 -27.598 9.751 1.00 10.78 ? 553 ARG H C 1 ATOM 4377 O O . ARG B 2 233 ? -6.765 -26.937 9.050 1.00 11.23 ? 553 ARG H O 1 ATOM 4378 C CB . ARG B 2 233 ? -6.896 -28.234 11.967 1.00 10.73 ? 553 ARG H CB 1 ATOM 4379 C CG . ARG B 2 233 ? -6.775 -28.258 13.466 1.00 13.33 ? 553 ARG H CG 1 ATOM 4380 C CD . ARG B 2 233 ? -7.798 -29.163 14.062 1.00 14.26 ? 553 ARG H CD 1 ATOM 4381 N NE . ARG B 2 233 ? -7.781 -29.134 15.522 1.00 16.08 ? 553 ARG H NE 1 ATOM 4382 C CZ . ARG B 2 233 ? -8.743 -29.691 16.260 1.00 18.87 ? 553 ARG H CZ 1 ATOM 4383 N NH1 . ARG B 2 233 ? -8.717 -29.595 17.562 1.00 21.90 ? 553 ARG H NH1 1 ATOM 4384 N NH2 . ARG B 2 233 ? -9.738 -30.361 15.678 1.00 22.27 ? 553 ARG H NH2 1 ATOM 4385 H H . ARG B 2 233 ? -6.805 -25.773 11.879 1.00 11.79 ? 553 ARG H H 1 ATOM 4386 H HA . ARG B 2 233 ? -4.967 -27.677 11.530 1.00 12.72 ? 553 ARG H HA 1 ATOM 4387 H HB2 . ARG B 2 233 ? -7.778 -27.893 11.751 1.00 12.86 ? 553 ARG H HB2 1 ATOM 4388 H HB3 . ARG B 2 233 ? -6.815 -29.148 11.653 1.00 12.86 ? 553 ARG H HB3 1 ATOM 4389 H HG2 . ARG B 2 233 ? -5.896 -28.584 13.713 1.00 15.99 ? 553 ARG H HG2 1 ATOM 4390 H HG3 . ARG B 2 233 ? -6.915 -27.364 13.815 1.00 15.99 ? 553 ARG H HG3 1 ATOM 4391 H HD2 . ARG B 2 233 ? -8.679 -28.885 13.765 1.00 17.10 ? 553 ARG H HD2 1 ATOM 4392 H HD3 . ARG B 2 233 ? -7.622 -30.073 13.776 1.00 17.10 ? 553 ARG H HD3 1 ATOM 4393 H HE . ARG B 2 233 ? -7.249 -28.579 15.907 1.00 19.28 ? 553 ARG H HE 1 ATOM 4394 H HH11 . ARG B 2 233 ? -8.072 -29.179 17.950 1.00 26.27 ? 553 ARG H HH11 1 ATOM 4395 H HH12 . ARG B 2 233 ? -9.325 -29.979 18.033 1.00 26.27 ? 553 ARG H HH12 1 ATOM 4396 H HH21 . ARG B 2 233 ? -9.774 -30.418 14.820 1.00 26.70 ? 553 ARG H HH21 1 ATOM 4397 H HH22 . ARG B 2 233 ? -10.350 -30.725 16.159 1.00 26.70 ? 553 ARG H HH22 1 ATOM 4398 N N . ASP B 2 234 ? -5.217 -28.556 9.242 1.00 11.81 ? 554 ASP H N 1 ATOM 4399 C CA . ASP B 2 234 ? -5.327 -28.882 7.831 1.00 12.72 ? 554 ASP H CA 1 ATOM 4400 C C . ASP B 2 234 ? -6.712 -29.406 7.488 1.00 12.40 ? 554 ASP H C 1 ATOM 4401 O O . ASP B 2 234 ? -7.251 -30.288 8.163 1.00 14.02 ? 554 ASP H O 1 ATOM 4402 C CB . ASP B 2 234 ? -4.335 -29.958 7.470 1.00 15.47 ? 554 ASP H CB 1 ATOM 4403 C CG . ASP B 2 234 ? -2.917 -29.527 7.648 1.00 18.70 ? 554 ASP H CG 1 ATOM 4404 O OD1 . ASP B 2 234 ? -2.596 -28.326 7.475 1.00 18.38 ? 554 ASP H OD1 1 ATOM 4405 O OD2 . ASP B 2 234 ? -2.097 -30.417 7.943 1.00 23.10 ? 554 ASP H OD2 1 ATOM 4406 H H . ASP B 2 234 ? -4.642 -29.021 9.680 1.00 14.16 ? 554 ASP H H 1 ATOM 4407 H HA . ASP B 2 234 ? -5.144 -28.086 7.289 1.00 15.25 ? 554 ASP H HA 1 ATOM 4408 H HB2 . ASP B 2 234 ? -4.486 -30.730 8.037 1.00 18.55 ? 554 ASP H HB2 1 ATOM 4409 H HB3 . ASP B 2 234 ? -4.459 -30.202 6.539 1.00 18.55 ? 554 ASP H HB3 1 ATOM 4410 N N . GLY B 2 235 ? -7.311 -28.845 6.454 1.00 12.61 ? 555 GLY H N 1 ATOM 4411 C CA . GLY B 2 235 ? -8.615 -29.263 5.996 1.00 12.68 ? 555 GLY H CA 1 ATOM 4412 C C . GLY B 2 235 ? -9.767 -28.724 6.802 1.00 11.66 ? 555 GLY H C 1 ATOM 4413 O O . GLY B 2 235 ? -10.911 -29.094 6.540 1.00 13.23 ? 555 GLY H O 1 ATOM 4414 H H . GLY B 2 235 ? -6.971 -28.205 5.991 1.00 15.12 ? 555 GLY H H 1 ATOM 4415 H HA2 . GLY B 2 235 ? -8.733 -28.978 5.077 1.00 15.20 ? 555 GLY H HA2 1 ATOM 4416 H HA3 . GLY B 2 235 ? -8.661 -30.232 6.018 1.00 15.20 ? 555 GLY H HA3 1 ATOM 4417 N N . LYS B 2 236 ? -9.486 -27.817 7.735 1.00 9.52 ? 556 LYS H N 1 ATOM 4418 C CA . LYS B 2 236 ? -10.512 -27.113 8.475 1.00 9.14 ? 556 LYS H CA 1 ATOM 4419 C C . LYS B 2 236 ? -10.438 -25.650 8.105 1.00 8.71 ? 556 LYS H C 1 ATOM 4420 O O . LYS B 2 236 ? -9.408 -25.189 7.642 1.00 10.74 ? 556 LYS H O 1 ATOM 4421 C CB . LYS B 2 236 ? -10.290 -27.269 9.961 1.00 10.62 ? 556 LYS H CB 1 ATOM 4422 C CG . LYS B 2 236 ? -10.296 -28.715 10.444 1.00 14.11 ? 556 LYS H CG 1 ATOM 4423 C CD . LYS B 2 236 ? -11.576 -29.455 10.146 1.00 18.22 ? 556 LYS H CD 1 ATOM 4424 C CE . LYS B 2 236 ? -12.562 -29.218 11.159 1.00 21.05 ? 556 LYS H CE 1 ATOM 4425 N NZ . LYS B 2 236 ? -13.742 -30.211 11.047 1.00 20.22 ? 556 LYS H NZ 1 ATOM 4426 H H . LYS B 2 236 ? -8.686 -27.593 7.959 1.00 11.41 ? 556 LYS H H 1 ATOM 4427 H HA . LYS B 2 236 ? -11.398 -27.461 8.242 1.00 10.96 ? 556 LYS H HA 1 ATOM 4428 H HB2 . LYS B 2 236 ? -9.430 -26.884 10.190 1.00 12.73 ? 556 LYS H HB2 1 ATOM 4429 H HB3 . LYS B 2 236 ? -10.995 -26.797 10.432 1.00 12.73 ? 556 LYS H HB3 1 ATOM 4430 H HG2 . LYS B 2 236 ? -9.571 -29.192 10.011 1.00 16.92 ? 556 LYS H HG2 1 ATOM 4431 H HG3 . LYS B 2 236 ? -10.166 -28.724 11.405 1.00 16.92 ? 556 LYS H HG3 1 ATOM 4432 H HD2 . LYS B 2 236 ? -11.932 -29.151 9.297 1.00 21.85 ? 556 LYS H HD2 1 ATOM 4433 H HD3 . LYS B 2 236 ? -11.395 -30.408 10.113 1.00 21.85 ? 556 LYS H HD3 1 ATOM 4434 H HE2 . LYS B 2 236 ? -12.155 -29.327 12.033 1.00 25.25 ? 556 LYS H HE2 1 ATOM 4435 H HE3 . LYS B 2 236 ? -12.911 -28.319 11.062 1.00 25.25 ? 556 LYS H HE3 1 ATOM 4436 H HZ1 . LYS B 2 236 ? -14.340 -30.045 11.685 1.00 24.25 ? 556 LYS H HZ1 1 ATOM 4437 H HZ2 . LYS B 2 236 ? -14.135 -30.127 10.253 1.00 24.25 ? 556 LYS H HZ2 1 ATOM 4438 H HZ3 . LYS B 2 236 ? -13.447 -31.046 11.138 1.00 24.25 ? 556 LYS H HZ3 1 ATOM 4439 N N . TYR B 2 237 ? -11.526 -24.921 8.312 1.00 8.19 ? 557 TYR H N 1 ATOM 4440 C CA . TYR B 2 237 ? -11.634 -23.516 7.947 1.00 8.19 ? 557 TYR H CA 1 ATOM 4441 C C . TYR B 2 237 ? -12.289 -22.759 9.077 1.00 8.08 ? 557 TYR H C 1 ATOM 4442 O O . TYR B 2 237 ? -13.147 -23.294 9.775 1.00 10.19 ? 557 TYR H O 1 ATOM 4443 C CB . TYR B 2 237 ? -12.458 -23.385 6.624 1.00 8.53 ? 557 TYR H CB 1 ATOM 4444 C CG . TYR B 2 237 ? -11.842 -24.176 5.530 1.00 7.81 ? 557 TYR H CG 1 ATOM 4445 C CD1 . TYR B 2 237 ? -10.822 -23.637 4.758 1.00 8.29 ? 557 TYR H CD1 1 ATOM 4446 C CD2 . TYR B 2 237 ? -12.174 -25.517 5.328 1.00 9.64 ? 557 TYR H CD2 1 ATOM 4447 C CE1 . TYR B 2 237 ? -10.171 -24.435 3.835 1.00 9.32 ? 557 TYR H CE1 1 ATOM 4448 C CE2 . TYR B 2 237 ? -11.519 -26.288 4.394 1.00 9.39 ? 557 TYR H CE2 1 ATOM 4449 C CZ . TYR B 2 237 ? -10.511 -25.754 3.668 1.00 9.56 ? 557 TYR H CZ 1 ATOM 4450 O OH . TYR B 2 237 ? -9.780 -26.463 2.757 1.00 12.84 ? 557 TYR H OH 1 ATOM 4451 H H . TYR B 2 237 ? -12.240 -25.231 8.676 1.00 9.81 ? 557 TYR H H 1 ATOM 4452 H HA . TYR B 2 237 ? -10.739 -23.145 7.798 1.00 9.82 ? 557 TYR H HA 1 ATOM 4453 H HB2 . TYR B 2 237 ? -13.358 -23.716 6.771 1.00 10.22 ? 557 TYR H HB2 1 ATOM 4454 H HB3 . TYR B 2 237 ? -12.482 -22.454 6.351 1.00 10.22 ? 557 TYR H HB3 1 ATOM 4455 H HD1 . TYR B 2 237 ? -10.548 -22.758 4.893 1.00 9.93 ? 557 TYR H HD1 1 ATOM 4456 H HD2 . TYR B 2 237 ? -12.836 -25.905 5.853 1.00 11.56 ? 557 TYR H HD2 1 ATOM 4457 H HE1 . TYR B 2 237 ? -9.478 -24.076 3.330 1.00 11.16 ? 557 TYR H HE1 1 ATOM 4458 H HE2 . TYR B 2 237 ? -11.747 -27.183 4.286 1.00 11.25 ? 557 TYR H HE2 1 ATOM 4459 H HH . TYR B 2 237 ? -10.271 -26.751 2.167 1.00 15.40 ? 557 TYR H HH 1 ATOM 4460 N N . GLY B 2 238 ? -11.957 -21.483 9.232 1.00 7.98 ? 558 GLY H N 1 ATOM 4461 C CA . GLY B 2 238 ? -12.669 -20.656 10.185 1.00 7.49 ? 558 GLY H CA 1 ATOM 4462 C C . GLY B 2 238 ? -14.016 -20.265 9.620 1.00 6.33 ? 558 GLY H C 1 ATOM 4463 O O . GLY B 2 238 ? -14.151 -20.015 8.415 1.00 7.25 ? 558 GLY H O 1 ATOM 4464 H H . GLY B 2 238 ? -11.332 -21.080 8.802 1.00 9.56 ? 558 GLY H H 1 ATOM 4465 H HA2 . GLY B 2 238 ? -12.803 -21.144 11.012 1.00 8.97 ? 558 GLY H HA2 1 ATOM 4466 H HA3 . GLY B 2 238 ? -12.159 -19.852 10.371 1.00 8.97 ? 558 GLY H HA3 1 ATOM 4467 N N . PHE B 2 239 ? -15.016 -20.170 10.491 1.00 6.25 ? 559 PHE H N 1 ATOM 4468 C CA . PHE B 2 239 ? -16.340 -19.744 10.108 1.00 6.36 ? 559 PHE H CA 1 ATOM 4469 C C . PHE B 2 239 ? -16.671 -18.373 10.675 1.00 6.20 ? 559 PHE H C 1 ATOM 4470 O O . PHE B 2 239 ? -16.266 -18.014 11.793 1.00 6.71 ? 559 PHE H O 1 ATOM 4471 C CB . PHE B 2 239 ? -17.406 -20.787 10.514 1.00 6.51 ? 559 PHE H CB 1 ATOM 4472 C CG . PHE B 2 239 ? -17.422 -21.980 9.609 1.00 6.92 ? 559 PHE H CG 1 ATOM 4473 C CD1 . PHE B 2 239 ? -16.453 -22.970 9.699 1.00 8.47 ? 559 PHE H CD1 1 ATOM 4474 C CD2 . PHE B 2 239 ? -18.368 -22.072 8.594 1.00 8.17 ? 559 PHE H CD2 1 ATOM 4475 C CE1 . PHE B 2 239 ? -16.466 -24.042 8.800 1.00 8.82 ? 559 PHE H CE1 1 ATOM 4476 C CE2 . PHE B 2 239 ? -18.386 -23.139 7.735 1.00 9.20 ? 559 PHE H CE2 1 ATOM 4477 C CZ . PHE B 2 239 ? -17.432 -24.114 7.833 1.00 9.26 ? 559 PHE H CZ 1 ATOM 4478 H H . PHE B 2 239 ? -14.943 -20.353 11.328 1.00 7.49 ? 559 PHE H H 1 ATOM 4479 H HA . PHE B 2 239 ? -16.366 -19.667 9.131 1.00 7.62 ? 559 PHE H HA 1 ATOM 4480 H HB2 . PHE B 2 239 ? -17.220 -21.096 11.414 1.00 7.80 ? 559 PHE H HB2 1 ATOM 4481 H HB3 . PHE B 2 239 ? -18.283 -20.373 10.480 1.00 7.80 ? 559 PHE H HB3 1 ATOM 4482 H HD1 . PHE B 2 239 ? -15.794 -22.920 10.354 1.00 10.14 ? 559 PHE H HD1 1 ATOM 4483 H HD2 . PHE B 2 239 ? -19.019 -21.413 8.517 1.00 9.79 ? 559 PHE H HD2 1 ATOM 4484 H HE1 . PHE B 2 239 ? -15.828 -24.715 8.871 1.00 10.57 ? 559 PHE H HE1 1 ATOM 4485 H HE2 . PHE B 2 239 ? -19.035 -23.189 7.071 1.00 11.02 ? 559 PHE H HE2 1 ATOM 4486 H HZ . PHE B 2 239 ? -17.446 -24.836 7.246 1.00 11.09 ? 559 PHE H HZ 1 ATOM 4487 N N . TYR B 2 240 ? -17.397 -17.620 9.873 1.00 6.10 ? 560 TYR H N 1 ATOM 4488 C CA . TYR B 2 240 ? -17.668 -16.213 10.106 1.00 5.55 ? 560 TYR H CA 1 ATOM 4489 C C . TYR B 2 240 ? -19.150 -15.945 9.896 1.00 5.29 ? 560 TYR H C 1 ATOM 4490 O O . TYR B 2 240 ? -19.751 -16.447 8.946 1.00 6.72 ? 560 TYR H O 1 ATOM 4491 C CB . TYR B 2 240 ? -16.850 -15.360 9.093 1.00 6.30 ? 560 TYR H CB 1 ATOM 4492 C CG . TYR B 2 240 ? -15.357 -15.546 9.252 1.00 6.08 ? 560 TYR H CG 1 ATOM 4493 C CD1 . TYR B 2 240 ? -14.705 -16.620 8.657 1.00 6.07 ? 560 TYR H CD1 1 ATOM 4494 C CD2 . TYR B 2 240 ? -14.604 -14.701 10.055 1.00 5.88 ? 560 TYR H CD2 1 ATOM 4495 C CE1 . TYR B 2 240 ? -13.342 -16.848 8.871 1.00 6.84 ? 560 TYR H CE1 1 ATOM 4496 C CE2 . TYR B 2 240 ? -13.242 -14.913 10.244 1.00 6.33 ? 560 TYR H CE2 1 ATOM 4497 C CZ . TYR B 2 240 ? -12.623 -15.990 9.661 1.00 6.68 ? 560 TYR H CZ 1 ATOM 4498 O OH . TYR B 2 240 ? -11.278 -16.178 9.904 1.00 8.39 ? 560 TYR H OH 1 ATOM 4499 H H . TYR B 2 240 ? -17.761 -17.915 9.152 1.00 7.30 ? 560 TYR H H 1 ATOM 4500 H HA . TYR B 2 240 ? -17.417 -15.963 11.020 1.00 6.64 ? 560 TYR H HA 1 ATOM 4501 H HB2 . TYR B 2 240 ? -17.092 -15.623 8.190 1.00 7.54 ? 560 TYR H HB2 1 ATOM 4502 H HB3 . TYR B 2 240 ? -17.053 -14.422 9.232 1.00 7.54 ? 560 TYR H HB3 1 ATOM 4503 H HD1 . TYR B 2 240 ? -15.192 -17.218 8.138 1.00 7.26 ? 560 TYR H HD1 1 ATOM 4504 H HD2 . TYR B 2 240 ? -15.017 -13.980 10.473 1.00 7.04 ? 560 TYR H HD2 1 ATOM 4505 H HE1 . TYR B 2 240 ? -12.921 -17.572 8.466 1.00 8.19 ? 560 TYR H HE1 1 ATOM 4506 H HE2 . TYR B 2 240 ? -12.756 -14.339 10.791 1.00 7.58 ? 560 TYR H HE2 1 ATOM 4507 H HH . TYR B 2 240 ? -10.861 -16.164 9.199 1.00 10.05 ? 560 TYR H HH 1 ATOM 4508 N N . THR B 2 241 ? -19.719 -15.092 10.740 1.00 5.48 ? 561 THR H N 1 ATOM 4509 C CA . THR B 2 241 ? -21.085 -14.636 10.553 1.00 5.76 ? 561 THR H CA 1 ATOM 4510 C C . THR B 2 241 ? -21.119 -13.760 9.307 1.00 5.90 ? 561 THR H C 1 ATOM 4511 O O . THR B 2 241 ? -20.268 -12.881 9.135 1.00 7.11 ? 561 THR H O 1 ATOM 4512 C CB . THR B 2 241 ? -21.510 -13.803 11.750 1.00 6.86 ? 561 THR H CB 1 ATOM 4513 O OG1 . THR B 2 241 ? -21.232 -14.592 12.907 1.00 7.53 ? 561 THR H OG1 1 ATOM 4514 C CG2 . THR B 2 241 ? -22.964 -13.439 11.670 1.00 7.26 ? 561 THR H CG2 1 ATOM 4515 H H . THR B 2 241 ? -19.331 -14.762 11.433 1.00 6.56 ? 561 THR H H 1 ATOM 4516 H HA . THR B 2 241 ? -21.695 -15.395 10.443 1.00 6.89 ? 561 THR H HA 1 ATOM 4517 H HB . THR B 2 241 ? -20.987 -12.986 11.780 1.00 8.22 ? 561 THR H HB 1 ATOM 4518 H HG1 . THR B 2 241 ? -21.446 -14.182 13.584 1.00 9.02 ? 561 THR H HG1 1 ATOM 4519 H HG21 . THR B 2 241 ? -23.213 -12.913 12.434 1.00 8.69 ? 561 THR H HG21 1 ATOM 4520 H HG22 . THR B 2 241 ? -23.132 -12.930 10.873 1.00 8.69 ? 561 THR H HG22 1 ATOM 4521 H HG23 . THR B 2 241 ? -23.501 -14.234 11.650 1.00 8.69 ? 561 THR H HG23 1 ATOM 4522 N N . HIS B 2 242 ? -22.111 -13.989 8.453 1.00 5.60 ? 562 HIS H N 1 ATOM 4523 C CA . HIS B 2 242 ? -22.282 -13.260 7.176 1.00 6.35 ? 562 HIS H CA 1 ATOM 4524 C C . HIS B 2 242 ? -22.989 -11.945 7.468 1.00 6.05 ? 562 HIS H C 1 ATOM 4525 O O . HIS B 2 242 ? -24.199 -11.881 7.627 1.00 6.97 ? 562 HIS H O 1 ATOM 4526 C CB . HIS B 2 242 ? -23.116 -14.143 6.241 1.00 7.45 ? 562 HIS H CB 1 ATOM 4527 C CG . HIS B 2 242 ? -23.070 -13.789 4.807 1.00 6.90 ? 562 HIS H CG 1 ATOM 4528 N ND1 . HIS B 2 242 ? -23.435 -12.556 4.321 1.00 8.47 ? 562 HIS H ND1 1 ATOM 4529 C CD2 . HIS B 2 242 ? -22.786 -14.565 3.730 1.00 8.34 ? 562 HIS H CD2 1 ATOM 4530 C CE1 . HIS B 2 242 ? -23.363 -12.583 3.000 1.00 8.68 ? 562 HIS H CE1 1 ATOM 4531 N NE2 . HIS B 2 242 ? -22.966 -13.780 2.620 1.00 8.63 ? 562 HIS H NE2 1 ATOM 4532 H H . HIS B 2 242 ? -22.722 -14.580 8.587 1.00 6.71 ? 562 HIS H H 1 ATOM 4533 H HA . HIS B 2 242 ? -21.411 -13.079 6.765 1.00 7.61 ? 562 HIS H HA 1 ATOM 4534 H HB2 . HIS B 2 242 ? -22.802 -15.057 6.324 1.00 8.93 ? 562 HIS H HB2 1 ATOM 4535 H HB3 . HIS B 2 242 ? -24.044 -14.095 6.522 1.00 8.93 ? 562 HIS H HB3 1 ATOM 4536 H HD1 . HIS B 2 242 ? -23.682 -11.883 4.796 1.00 10.15 ? 562 HIS H HD1 1 ATOM 4537 H HD2 . HIS B 2 242 ? -22.520 -15.456 3.742 1.00 9.99 ? 562 HIS H HD2 1 ATOM 4538 H HE1 . HIS B 2 242 ? -23.534 -11.865 2.434 1.00 10.40 ? 562 HIS H HE1 1 ATOM 4539 H HE2 . HIS B 2 242 ? -22.831 -14.026 1.807 1.00 10.34 ? 562 HIS H HE2 1 ATOM 4540 N N . VAL B 2 243 ? -22.219 -10.869 7.568 1.00 6.29 ? 563 VAL H N 1 ATOM 4541 C CA . VAL B 2 243 ? -22.746 -9.591 8.004 1.00 6.32 ? 563 VAL H CA 1 ATOM 4542 C C . VAL B 2 243 ? -23.808 -9.054 7.069 1.00 6.62 ? 563 VAL H C 1 ATOM 4543 O O . VAL B 2 243 ? -24.852 -8.615 7.536 1.00 7.28 ? 563 VAL H O 1 ATOM 4544 C CB . VAL B 2 243 ? -21.614 -8.556 8.216 1.00 7.15 ? 563 VAL H CB 1 ATOM 4545 C CG1 . VAL B 2 243 ? -22.161 -7.160 8.449 1.00 8.29 ? 563 VAL H CG1 1 ATOM 4546 C CG2 . VAL B 2 243 ? -20.721 -9.014 9.370 1.00 8.23 ? 563 VAL H CG2 1 ATOM 4547 H H . VAL B 2 243 ? -21.378 -10.857 7.387 1.00 7.54 ? 563 VAL H H 1 ATOM 4548 H HA . VAL B 2 243 ? -23.176 -9.724 8.874 1.00 7.57 ? 563 VAL H HA 1 ATOM 4549 H HB . VAL B 2 243 ? -21.062 -8.526 7.407 1.00 8.57 ? 563 VAL H HB 1 ATOM 4550 H HG11 . VAL B 2 243 ? -21.427 -6.554 8.575 1.00 9.94 ? 563 VAL H HG11 1 ATOM 4551 H HG12 . VAL B 2 243 ? -22.677 -6.895 7.684 1.00 9.94 ? 563 VAL H HG12 1 ATOM 4552 H HG13 . VAL B 2 243 ? -22.716 -7.169 9.232 1.00 9.94 ? 563 VAL H HG13 1 ATOM 4553 H HG21 . VAL B 2 243 ? -20.021 -8.369 9.497 1.00 9.87 ? 563 VAL H HG21 1 ATOM 4554 H HG22 . VAL B 2 243 ? -21.251 -9.083 10.167 1.00 9.87 ? 563 VAL H HG22 1 ATOM 4555 H HG23 . VAL B 2 243 ? -20.343 -9.869 9.152 1.00 9.87 ? 563 VAL H HG23 1 ATOM 4556 N N . PHE B 2 244 ? -23.601 -9.108 5.752 1.00 6.64 ? 564 PHE H N 1 ATOM 4557 C CA . PHE B 2 244 ? -24.629 -8.598 4.867 1.00 6.78 ? 564 PHE H CA 1 ATOM 4558 C C . PHE B 2 244 ? -25.955 -9.300 5.094 1.00 7.17 ? 564 PHE H C 1 ATOM 4559 O O . PHE B 2 244 ? -26.996 -8.653 5.152 1.00 7.30 ? 564 PHE H O 1 ATOM 4560 C CB . PHE B 2 244 ? -24.268 -8.645 3.382 1.00 7.73 ? 564 PHE H CB 1 ATOM 4561 C CG . PHE B 2 244 ? -25.439 -8.219 2.561 1.00 7.73 ? 564 PHE H CG 1 ATOM 4562 C CD1 . PHE B 2 244 ? -25.818 -6.887 2.561 1.00 9.06 ? 564 PHE H CD1 1 ATOM 4563 C CD2 . PHE B 2 244 ? -26.244 -9.128 1.933 1.00 9.30 ? 564 PHE H CD2 1 ATOM 4564 C CE1 . PHE B 2 244 ? -27.012 -6.482 1.954 1.00 11.51 ? 564 PHE H CE1 1 ATOM 4565 C CE2 . PHE B 2 244 ? -27.454 -8.725 1.325 1.00 10.55 ? 564 PHE H CE2 1 ATOM 4566 C CZ . PHE B 2 244 ? -27.815 -7.405 1.336 1.00 11.50 ? 564 PHE H CZ 1 ATOM 4567 H H . PHE B 2 244 ? -22.901 -9.423 5.364 1.00 7.95 ? 564 PHE H H 1 ATOM 4568 H HA . PHE B 2 244 ? -24.769 -7.654 5.091 1.00 8.13 ? 564 PHE H HA 1 ATOM 4569 H HB2 . PHE B 2 244 ? -23.531 -8.039 3.207 1.00 9.26 ? 564 PHE H HB2 1 ATOM 4570 H HB3 . PHE B 2 244 ? -24.030 -9.552 3.134 1.00 9.26 ? 564 PHE H HB3 1 ATOM 4571 H HD1 . PHE B 2 244 ? -25.305 -6.265 3.025 1.00 10.85 ? 564 PHE H HD1 1 ATOM 4572 H HD2 . PHE B 2 244 ? -26.028 -10.032 1.969 1.00 11.14 ? 564 PHE H HD2 1 ATOM 4573 H HE1 . PHE B 2 244 ? -27.246 -5.582 1.943 1.00 13.80 ? 564 PHE H HE1 1 ATOM 4574 H HE2 . PHE B 2 244 ? -27.981 -9.349 0.881 1.00 12.65 ? 564 PHE H HE2 1 ATOM 4575 H HZ . PHE B 2 244 ? -28.575 -7.127 0.877 1.00 13.79 ? 564 PHE H HZ 1 ATOM 4576 N N . ARG B 2 245 ? -25.969 -10.612 5.186 1.00 7.20 ? 565 ARG H N 1 ATOM 4577 C CA A ARG B 2 245 ? -27.220 -11.327 5.344 0.48 8.25 ? 565 ARG H CA 1 ATOM 4578 C CA B ARG B 2 245 ? -27.242 -11.284 5.358 0.52 8.96 ? 565 ARG H CA 1 ATOM 4579 C C . ARG B 2 245 ? -27.944 -11.018 6.652 1.00 9.02 ? 565 ARG H C 1 ATOM 4580 O O . ARG B 2 245 ? -29.140 -11.232 6.769 1.00 11.29 ? 565 ARG H O 1 ATOM 4581 C CB A ARG B 2 245 ? -27.005 -12.833 5.084 0.48 11.11 ? 565 ARG H CB 1 ATOM 4582 C CB B ARG B 2 245 ? -27.111 -12.767 5.131 0.52 12.92 ? 565 ARG H CB 1 ATOM 4583 C CG A ARG B 2 245 ? -26.788 -13.104 3.567 0.48 10.42 ? 565 ARG H CG 1 ATOM 4584 C CG B ARG B 2 245 ? -27.425 -13.088 3.697 0.52 15.02 ? 565 ARG H CG 1 ATOM 4585 C CD A ARG B 2 245 ? -26.536 -14.553 3.218 0.48 7.51 ? 565 ARG H CD 1 ATOM 4586 C CD B ARG B 2 245 ? -27.426 -14.484 3.519 0.52 14.06 ? 565 ARG H CD 1 ATOM 4587 N NE A ARG B 2 245 ? -26.386 -14.728 1.784 0.48 7.92 ? 565 ARG H NE 1 ATOM 4588 N NE B ARG B 2 245 ? -28.319 -15.257 4.379 0.52 11.40 ? 565 ARG H NE 1 ATOM 4589 C CZ A ARG B 2 245 ? -25.605 -15.632 1.218 0.48 6.76 ? 565 ARG H CZ 1 ATOM 4590 C CZ B ARG B 2 245 ? -29.499 -15.718 4.016 0.52 11.84 ? 565 ARG H CZ 1 ATOM 4591 N NH1 A ARG B 2 245 ? -25.411 -15.606 -0.078 0.48 7.89 ? 565 ARG H NH1 1 ATOM 4592 N NH1 B ARG B 2 245 ? -30.160 -16.497 4.823 0.52 13.96 ? 565 ARG H NH1 1 ATOM 4593 N NH2 A ARG B 2 245 ? -24.938 -16.469 1.946 0.48 5.52 ? 565 ARG H NH2 1 ATOM 4594 N NH2 B ARG B 2 245 ? -30.015 -15.374 2.868 0.52 9.96 ? 565 ARG H NH2 1 ATOM 4595 H H . ARG B 2 245 ? -25.271 -11.114 5.160 1.00 8.63 ? 565 ARG H H 1 ATOM 4596 H HA A ARG B 2 245 ? -27.817 -11.016 4.631 0.48 9.89 ? 565 ARG H HA 1 ATOM 4597 H HA B ARG B 2 245 ? -27.838 -10.952 4.655 0.52 10.73 ? 565 ARG H HA 1 ATOM 4598 H HB2 A ARG B 2 245 ? -26.219 -13.134 5.564 0.48 13.32 ? 565 ARG H HB2 1 ATOM 4599 H HB2 B ARG B 2 245 ? -26.202 -13.046 5.319 0.52 15.49 ? 565 ARG H HB2 1 ATOM 4600 H HB3 A ARG B 2 245 ? -27.789 -13.326 5.374 0.48 13.32 ? 565 ARG H HB3 1 ATOM 4601 H HB3 B ARG B 2 245 ? -27.739 -13.240 5.699 0.52 15.49 ? 565 ARG H HB3 1 ATOM 4602 H HG2 A ARG B 2 245 ? -27.580 -12.819 3.084 0.48 12.49 ? 565 ARG H HG2 1 ATOM 4603 H HG2 B ARG B 2 245 ? -28.304 -12.746 3.471 0.52 18.01 ? 565 ARG H HG2 1 ATOM 4604 H HG3 A ARG B 2 245 ? -26.021 -12.591 3.267 0.48 12.49 ? 565 ARG H HG3 1 ATOM 4605 H HG3 B ARG B 2 245 ? -26.748 -12.702 3.120 0.52 18.01 ? 565 ARG H HG3 1 ATOM 4606 H HD2 A ARG B 2 245 ? -25.718 -14.849 3.648 0.48 8.99 ? 565 ARG H HD2 1 ATOM 4607 H HD2 B ARG B 2 245 ? -27.679 -14.672 2.602 0.52 16.86 ? 565 ARG H HD2 1 ATOM 4608 H HD3 A ARG B 2 245 ? -27.287 -15.090 3.514 0.48 8.99 ? 565 ARG H HD3 1 ATOM 4609 H HD3 B ARG B 2 245 ? -26.526 -14.809 3.676 0.52 16.86 ? 565 ARG H HD3 1 ATOM 4610 H HE A ARG B 2 245 ? -26.836 -14.208 1.267 0.48 9.49 ? 565 ARG H HE 1 ATOM 4611 H HE B ARG B 2 245 ? -28.056 -15.424 5.181 0.52 13.66 ? 565 ARG H HE 1 ATOM 4612 H HH11 A ARG B 2 245 ? -25.864 -15.063 -0.566 0.48 9.45 ? 565 ARG H HH11 1 ATOM 4613 H HH11 B ARG B 2 245 ? -29.831 -16.694 5.593 0.52 16.74 ? 565 ARG H HH11 1 ATOM 4614 H HH12 A ARG B 2 245 ? -24.939 -16.222 -0.450 0.48 9.45 ? 565 ARG H HH12 1 ATOM 4615 H HH12 B ARG B 2 245 ? -30.955 -16.752 4.617 0.52 16.74 ? 565 ARG H HH12 1 ATOM 4616 H HH21 A ARG B 2 245 ? -25.021 -16.456 2.802 0.48 6.60 ? 565 ARG H HH21 1 ATOM 4617 H HH21 B ARG B 2 245 ? -29.564 -14.885 2.323 0.52 11.94 ? 565 ARG H HH21 1 ATOM 4618 H HH22 A ARG B 2 245 ? -24.434 -17.057 1.572 0.48 6.60 ? 565 ARG H HH22 1 ATOM 4619 H HH22 B ARG B 2 245 ? -30.795 -15.660 2.645 0.52 11.94 ? 565 ARG H HH22 1 ATOM 4620 N N . LEU B 2 246 ? -27.211 -10.504 7.628 1.00 8.29 ? 566 LEU H N 1 ATOM 4621 C CA . LEU B 2 246 ? -27.814 -10.114 8.880 1.00 9.16 ? 566 LEU H CA 1 ATOM 4622 C C . LEU B 2 246 ? -27.990 -8.600 8.992 1.00 8.88 ? 566 LEU H C 1 ATOM 4623 O O . LEU B 2 246 ? -28.435 -8.092 10.036 1.00 9.76 ? 566 LEU H O 1 ATOM 4624 C CB . LEU B 2 246 ? -26.995 -10.706 10.029 1.00 13.39 ? 566 LEU H CB 1 ATOM 4625 C CG . LEU B 2 246 ? -27.162 -12.258 10.003 1.00 17.06 ? 566 LEU H CG 1 ATOM 4626 C CD1 . LEU B 2 246 ? -26.202 -13.022 10.756 1.00 18.35 ? 566 LEU H CD1 1 ATOM 4627 C CD2 . LEU B 2 246 ? -28.543 -12.633 10.580 1.00 23.10 ? 566 LEU H CD2 1 ATOM 4628 H H . LEU B 2 246 ? -26.362 -10.374 7.586 1.00 9.93 ? 566 LEU H H 1 ATOM 4629 H HA . LEU B 2 246 ? -28.708 -10.512 8.926 1.00 10.97 ? 566 LEU H HA 1 ATOM 4630 H HB2 . LEU B 2 246 ? -26.057 -10.490 9.912 1.00 16.05 ? 566 LEU H HB2 1 ATOM 4631 H HB3 . LEU B 2 246 ? -27.324 -10.369 10.877 1.00 16.05 ? 566 LEU H HB3 1 ATOM 4632 H HG . LEU B 2 246 ? -27.130 -12.562 9.082 1.00 20.46 ? 566 LEU H HG 1 ATOM 4633 H HD11 . LEU B 2 246 ? -26.405 -13.956 10.665 1.00 22.00 ? 566 LEU H HD11 1 ATOM 4634 H HD12 . LEU B 2 246 ? -25.323 -12.843 10.414 1.00 22.00 ? 566 LEU H HD12 1 ATOM 4635 H HD13 . LEU B 2 246 ? -26.253 -12.764 11.680 1.00 22.00 ? 566 LEU H HD13 1 ATOM 4636 H HD21 . LEU B 2 246 ? -28.640 -13.588 10.561 1.00 27.71 ? 566 LEU H HD21 1 ATOM 4637 H HD22 . LEU B 2 246 ? -28.600 -12.315 11.484 1.00 27.71 ? 566 LEU H HD22 1 ATOM 4638 H HD23 . LEU B 2 246 ? -29.227 -12.224 10.044 1.00 27.71 ? 566 LEU H HD23 1 ATOM 4639 N N . LYS B 2 247 ? -27.763 -7.879 7.893 1.00 8.91 ? 567 LYS H N 1 ATOM 4640 C CA . LYS B 2 247 ? -27.826 -6.423 7.964 1.00 9.63 ? 567 LYS H CA 1 ATOM 4641 C C . LYS B 2 247 ? -29.232 -5.905 8.141 1.00 10.14 ? 567 LYS H C 1 ATOM 4642 O O . LYS B 2 247 ? -29.452 -4.865 8.758 1.00 11.97 ? 567 LYS H O 1 ATOM 4643 C CB . LYS B 2 247 ? -27.160 -5.800 6.740 1.00 11.66 ? 567 LYS H CB 1 ATOM 4644 C CG . LYS B 2 247 ? -26.893 -4.322 6.907 1.00 14.02 ? 567 LYS H CG 1 ATOM 4645 C CD . LYS B 2 247 ? -26.249 -3.734 5.683 1.00 16.13 ? 567 LYS H CD 1 ATOM 4646 C CE . LYS B 2 247 ? -26.015 -2.277 5.888 1.00 19.20 ? 567 LYS H CE 1 ATOM 4647 N NZ . LYS B 2 247 ? -25.364 -1.733 4.704 1.00 21.44 ? 567 LYS H NZ 1 ATOM 4648 H H . LYS B 2 247 ? -27.575 -8.198 7.117 1.00 10.68 ? 567 LYS H H 1 ATOM 4649 H HA . LYS B 2 247 ? -27.314 -6.134 8.748 1.00 11.54 ? 567 LYS H HA 1 ATOM 4650 H HB2 . LYS B 2 247 ? -26.311 -6.242 6.583 1.00 13.98 ? 567 LYS H HB2 1 ATOM 4651 H HB3 . LYS B 2 247 ? -27.740 -5.914 5.971 1.00 13.98 ? 567 LYS H HB3 1 ATOM 4652 H HG2 . LYS B 2 247 ? -27.732 -3.860 7.060 1.00 16.81 ? 567 LYS H HG2 1 ATOM 4653 H HG3 . LYS B 2 247 ? -26.294 -4.188 7.659 1.00 16.81 ? 567 LYS H HG3 1 ATOM 4654 H HD2 . LYS B 2 247 ? -25.395 -4.166 5.525 1.00 19.34 ? 567 LYS H HD2 1 ATOM 4655 H HD3 . LYS B 2 247 ? -26.836 -3.849 4.920 1.00 19.34 ? 567 LYS H HD3 1 ATOM 4656 H HE2 . LYS B 2 247 ? -26.863 -1.823 6.014 1.00 23.03 ? 567 LYS H HE2 1 ATOM 4657 H HE3 . LYS B 2 247 ? -25.435 -2.142 6.654 1.00 23.03 ? 567 LYS H HE3 1 ATOM 4658 H HZ1 . LYS B 2 247 ? -25.217 -0.861 4.811 1.00 25.71 ? 567 LYS H HZ1 1 ATOM 4659 H HZ2 . LYS B 2 247 ? -24.585 -2.143 4.570 1.00 25.71 ? 567 LYS H HZ2 1 ATOM 4660 H HZ3 . LYS B 2 247 ? -25.881 -1.853 3.990 1.00 25.71 ? 567 LYS H HZ3 1 ATOM 4661 N N . LYS B 2 248 ? -30.209 -6.635 7.635 1.00 11.13 ? 568 LYS H N 1 ATOM 4662 C CA . LYS B 2 248 ? -31.599 -6.262 7.884 1.00 12.31 ? 568 LYS H CA 1 ATOM 4663 C C . LYS B 2 248 ? -31.874 -6.177 9.393 1.00 11.82 ? 568 LYS H C 1 ATOM 4664 O O . LYS B 2 248 ? -32.547 -5.265 9.871 1.00 14.52 ? 568 LYS H O 1 ATOM 4665 C CB . LYS B 2 248 ? -32.541 -7.257 7.216 1.00 17.27 ? 568 LYS H CB 1 ATOM 4666 C CG . LYS B 2 248 ? -34.000 -7.004 7.512 1.00 23.60 ? 568 LYS H CG 1 ATOM 4667 C CD . LYS B 2 248 ? -34.900 -7.931 6.719 1.00 28.64 ? 568 LYS H CD 1 ATOM 4668 C CE . LYS B 2 248 ? -34.693 -9.365 7.139 1.00 33.85 ? 568 LYS H CE 1 ATOM 4669 N NZ . LYS B 2 248 ? -33.492 -10.022 6.514 1.00 36.27 ? 568 LYS H NZ 1 ATOM 4670 H H . LYS B 2 248 ? -30.104 -7.340 7.153 1.00 13.34 ? 568 LYS H H 1 ATOM 4671 H HA . LYS B 2 248 ? -31.766 -5.379 7.495 1.00 14.75 ? 568 LYS H HA 1 ATOM 4672 H HB2 . LYS B 2 248 ? -32.420 -7.206 6.255 1.00 20.71 ? 568 LYS H HB2 1 ATOM 4673 H HB3 . LYS B 2 248 ? -32.325 -8.150 7.528 1.00 20.71 ? 568 LYS H HB3 1 ATOM 4674 H HG2 . LYS B 2 248 ? -34.165 -7.154 8.456 1.00 28.31 ? 568 LYS H HG2 1 ATOM 4675 H HG3 . LYS B 2 248 ? -34.220 -6.090 7.274 1.00 28.31 ? 568 LYS H HG3 1 ATOM 4676 H HD2 . LYS B 2 248 ? -35.827 -7.696 6.879 1.00 34.36 ? 568 LYS H HD2 1 ATOM 4677 H HD3 . LYS B 2 248 ? -34.690 -7.855 5.775 1.00 34.36 ? 568 LYS H HD3 1 ATOM 4678 H HE2 . LYS B 2 248 ? -34.579 -9.394 8.102 1.00 40.60 ? 568 LYS H HE2 1 ATOM 4679 H HE3 . LYS B 2 248 ? -35.476 -9.879 6.886 1.00 40.60 ? 568 LYS H HE3 1 ATOM 4680 H HZ1 . LYS B 2 248 ? -33.424 -10.863 6.799 1.00 43.50 ? 568 LYS H HZ1 1 ATOM 4681 H HZ2 . LYS B 2 248 ? -33.573 -10.023 5.628 1.00 43.50 ? 568 LYS H HZ2 1 ATOM 4682 H HZ3 . LYS B 2 248 ? -32.753 -9.580 6.738 1.00 43.50 ? 568 LYS H HZ3 1 ATOM 4683 N N . TRP B 2 249 ? -31.306 -7.092 10.171 1.00 11.89 ? 569 TRP H N 1 ATOM 4684 C CA . TRP B 2 249 ? -31.505 -7.063 11.604 1.00 11.07 ? 569 TRP H CA 1 ATOM 4685 C C . TRP B 2 249 ? -30.734 -5.892 12.228 1.00 10.48 ? 569 TRP H C 1 ATOM 4686 O O . TRP B 2 249 ? -31.246 -5.192 13.080 1.00 11.00 ? 569 TRP H O 1 ATOM 4687 C CB . TRP B 2 249 ? -31.058 -8.376 12.246 1.00 11.81 ? 569 TRP H CB 1 ATOM 4688 C CG . TRP B 2 249 ? -31.112 -8.334 13.706 1.00 10.73 ? 569 TRP H CG 1 ATOM 4689 C CD1 . TRP B 2 249 ? -32.230 -8.440 14.489 1.00 14.28 ? 569 TRP H CD1 1 ATOM 4690 C CD2 . TRP B 2 249 ? -30.011 -8.141 14.606 1.00 11.25 ? 569 TRP H CD2 1 ATOM 4691 N NE1 . TRP B 2 249 ? -31.882 -8.325 15.814 1.00 15.28 ? 569 TRP H NE1 1 ATOM 4692 C CE2 . TRP B 2 249 ? -30.529 -8.150 15.917 1.00 13.88 ? 569 TRP H CE2 1 ATOM 4693 C CE3 . TRP B 2 249 ? -28.642 -7.961 14.433 1.00 11.36 ? 569 TRP H CE3 1 ATOM 4694 C CZ2 . TRP B 2 249 ? -29.717 -7.979 17.042 1.00 14.25 ? 569 TRP H CZ2 1 ATOM 4695 C CZ3 . TRP B 2 249 ? -27.842 -7.793 15.541 1.00 13.54 ? 569 TRP H CZ3 1 ATOM 4696 C CH2 . TRP B 2 249 ? -28.385 -7.807 16.835 1.00 13.78 ? 569 TRP H CH2 1 ATOM 4697 H H . TRP B 2 249 ? -30.806 -7.733 9.892 1.00 14.25 ? 569 TRP H H 1 ATOM 4698 H HA . TRP B 2 249 ? -32.458 -6.938 11.795 1.00 13.26 ? 569 TRP H HA 1 ATOM 4699 H HB2 . TRP B 2 249 ? -31.640 -9.090 11.943 1.00 14.16 ? 569 TRP H HB2 1 ATOM 4700 H HB3 . TRP B 2 249 ? -30.142 -8.560 11.984 1.00 14.16 ? 569 TRP H HB3 1 ATOM 4701 H HD1 . TRP B 2 249 ? -33.095 -8.569 14.172 1.00 17.12 ? 569 TRP H HD1 1 ATOM 4702 H HE1 . TRP B 2 249 ? -32.428 -8.372 16.476 1.00 18.32 ? 569 TRP H HE1 1 ATOM 4703 H HE3 . TRP B 2 249 ? -28.272 -7.948 13.580 1.00 13.61 ? 569 TRP H HE3 1 ATOM 4704 H HZ2 . TRP B 2 249 ? -30.074 -7.988 17.900 1.00 17.09 ? 569 TRP H HZ2 1 ATOM 4705 H HZ3 . TRP B 2 249 ? -26.926 -7.678 15.431 1.00 16.23 ? 569 TRP H HZ3 1 ATOM 4706 H HH2 . TRP B 2 249 ? -27.821 -7.699 17.566 1.00 16.53 ? 569 TRP H HH2 1 ATOM 4707 N N . ILE B 2 250 ? -29.487 -5.690 11.806 1.00 10.00 ? 570 ILE H N 1 ATOM 4708 C CA . ILE B 2 250 ? -28.704 -4.581 12.322 1.00 9.92 ? 570 ILE H CA 1 ATOM 4709 C C . ILE B 2 250 ? -29.467 -3.267 12.102 1.00 10.12 ? 570 ILE H C 1 ATOM 4710 O O . ILE B 2 250 ? -29.576 -2.437 13.022 1.00 11.34 ? 570 ILE H O 1 ATOM 4711 C CB . ILE B 2 250 ? -27.335 -4.505 11.604 1.00 9.43 ? 570 ILE H CB 1 ATOM 4712 C CG1 . ILE B 2 250 ? -26.469 -5.728 11.956 1.00 9.73 ? 570 ILE H CG1 1 ATOM 4713 C CG2 . ILE B 2 250 ? -26.597 -3.211 12.008 1.00 10.37 ? 570 ILE H CG2 1 ATOM 4714 C CD1 . ILE B 2 250 ? -25.208 -5.772 11.131 1.00 9.93 ? 570 ILE H CD1 1 ATOM 4715 H H . ILE B 2 250 ? -29.079 -6.178 11.227 1.00 11.98 ? 570 ILE H H 1 ATOM 4716 H HA . ILE B 2 250 ? -28.550 -4.701 13.283 1.00 11.89 ? 570 ILE H HA 1 ATOM 4717 H HB . ILE B 2 250 ? -27.485 -4.493 10.646 1.00 11.30 ? 570 ILE H HB 1 ATOM 4718 H HG12 . ILE B 2 250 ? -26.218 -5.683 12.892 1.00 11.67 ? 570 ILE H HG12 1 ATOM 4719 H HG13 . ILE B 2 250 ? -26.974 -6.538 11.783 1.00 11.67 ? 570 ILE H HG13 1 ATOM 4720 H HG21 . ILE B 2 250 ? -25.751 -3.179 11.554 1.00 12.42 ? 570 ILE H HG21 1 ATOM 4721 H HG22 . ILE B 2 250 ? -27.132 -2.455 11.756 1.00 12.42 ? 570 ILE H HG22 1 ATOM 4722 H HG23 . ILE B 2 250 ? -26.459 -3.214 12.958 1.00 12.42 ? 570 ILE H HG23 1 ATOM 4723 H HD11 . ILE B 2 250 ? -24.698 -6.546 11.381 1.00 11.90 ? 570 ILE H HD11 1 ATOM 4724 H HD12 . ILE B 2 250 ? -25.444 -5.820 10.202 1.00 11.90 ? 570 ILE H HD12 1 ATOM 4725 H HD13 . ILE B 2 250 ? -24.697 -4.976 11.298 1.00 11.90 ? 570 ILE H HD13 1 ATOM 4726 N N . GLN B 2 251 ? -29.998 -3.068 10.904 1.00 11.22 ? 571 GLN H N 1 ATOM 4727 C CA . GLN B 2 251 ? -30.707 -1.835 10.582 1.00 13.36 ? 571 GLN H CA 1 ATOM 4728 C C . GLN B 2 251 ? -31.978 -1.682 11.421 1.00 13.58 ? 571 GLN H C 1 ATOM 4729 O O . GLN B 2 251 ? -32.319 -0.581 11.858 1.00 15.98 ? 571 GLN H O 1 ATOM 4730 C CB . GLN B 2 251 ? -31.068 -1.849 9.100 1.00 16.22 ? 571 GLN H CB 1 ATOM 4731 C CG . GLN B 2 251 ? -31.609 -0.531 8.605 1.00 21.74 ? 571 GLN H CG 1 ATOM 4732 C CD . GLN B 2 251 ? -30.527 0.535 8.596 1.00 27.48 ? 571 GLN H CD 1 ATOM 4733 O OE1 . GLN B 2 251 ? -29.474 0.371 7.963 1.00 30.92 ? 571 GLN H OE1 1 ATOM 4734 N NE2 . GLN B 2 251 ? -30.772 1.631 9.303 1.00 30.94 ? 571 GLN H NE2 1 ATOM 4735 H H . GLN B 2 251 ? -29.963 -3.633 10.256 1.00 13.45 ? 571 GLN H H 1 ATOM 4736 H HA . GLN B 2 251 ? -30.124 -1.066 10.754 1.00 16.02 ? 571 GLN H HA 1 ATOM 4737 H HB2 . GLN B 2 251 ? -30.274 -2.058 8.584 1.00 19.45 ? 571 GLN H HB2 1 ATOM 4738 H HB3 . GLN B 2 251 ? -31.747 -2.525 8.948 1.00 19.45 ? 571 GLN H HB3 1 ATOM 4739 H HG2 . GLN B 2 251 ? -31.939 -0.638 7.699 1.00 26.07 ? 571 GLN H HG2 1 ATOM 4740 H HG3 . GLN B 2 251 ? -32.323 -0.236 9.192 1.00 26.07 ? 571 GLN H HG3 1 ATOM 4741 H HE21 . GLN B 2 251 ? -30.190 2.264 9.330 1.00 37.11 ? 571 GLN H HE21 1 ATOM 4742 H HE22 . GLN B 2 251 ? -31.512 1.709 9.734 1.00 37.11 ? 571 GLN H HE22 1 ATOM 4743 N N . LYS B 2 252 ? -32.676 -2.790 11.653 1.00 14.46 ? 572 LYS H N 1 ATOM 4744 C CA A LYS B 2 252 ? -33.886 -2.774 12.473 0.39 16.36 ? 572 LYS H CA 1 ATOM 4745 C CA B LYS B 2 252 ? -33.893 -2.762 12.471 0.61 16.47 ? 572 LYS H CA 1 ATOM 4746 C C . LYS B 2 252 ? -33.552 -2.314 13.889 1.00 15.13 ? 572 LYS H C 1 ATOM 4747 O O . LYS B 2 252 ? -34.244 -1.515 14.471 1.00 15.96 ? 572 LYS H O 1 ATOM 4748 C CB A LYS B 2 252 ? -34.494 -4.174 12.507 0.39 18.52 ? 572 LYS H CB 1 ATOM 4749 C CB B LYS B 2 252 ? -34.528 -4.147 12.508 0.61 18.91 ? 572 LYS H CB 1 ATOM 4750 C CG A LYS B 2 252 ? -35.781 -4.269 13.284 0.39 22.57 ? 572 LYS H CG 1 ATOM 4751 C CG B LYS B 2 252 ? -35.816 -4.190 13.279 0.61 22.89 ? 572 LYS H CG 1 ATOM 4752 C CD A LYS B 2 252 ? -36.353 -5.677 13.258 0.39 27.32 ? 572 LYS H CD 1 ATOM 4753 C CD B LYS B 2 252 ? -36.351 -5.601 13.434 0.61 26.86 ? 572 LYS H CD 1 ATOM 4754 C CE A LYS B 2 252 ? -36.667 -6.125 11.840 0.39 30.17 ? 572 LYS H CE 1 ATOM 4755 C CE B LYS B 2 252 ? -37.664 -5.602 14.214 0.61 28.88 ? 572 LYS H CE 1 ATOM 4756 N NZ A LYS B 2 252 ? -37.538 -7.339 11.805 0.39 32.30 ? 572 LYS H NZ 1 ATOM 4757 N NZ B LYS B 2 252 ? -38.273 -6.961 14.317 0.61 31.65 ? 572 LYS H NZ 1 ATOM 4758 H H . LYS B 2 252 ? -32.471 -3.567 11.347 1.00 17.34 ? 572 LYS H H 1 ATOM 4759 H HA A LYS B 2 252 ? -34.540 -2.155 12.086 0.39 19.61 ? 572 LYS H HA 1 ATOM 4760 H HA B LYS B 2 252 ? -34.536 -2.130 12.087 0.61 19.75 ? 572 LYS H HA 1 ATOM 4761 H HB2 A LYS B 2 252 ? -34.677 -4.456 11.597 0.39 22.21 ? 572 LYS H HB2 1 ATOM 4762 H HB2 B LYS B 2 252 ? -34.714 -4.431 11.599 0.61 22.67 ? 572 LYS H HB2 1 ATOM 4763 H HB3 A LYS B 2 252 ? -33.857 -4.780 12.915 0.39 22.21 ? 572 LYS H HB3 1 ATOM 4764 H HB3 B LYS B 2 252 ? -33.908 -4.765 12.927 0.61 22.67 ? 572 LYS H HB3 1 ATOM 4765 H HG2 A LYS B 2 252 ? -35.614 -4.027 14.209 0.39 27.07 ? 572 LYS H HG2 1 ATOM 4766 H HG2 B LYS B 2 252 ? -35.667 -3.826 14.165 0.61 27.45 ? 572 LYS H HG2 1 ATOM 4767 H HG3 A LYS B 2 252 ? -36.435 -3.669 12.894 0.39 27.07 ? 572 LYS H HG3 1 ATOM 4768 H HG3 B LYS B 2 252 ? -36.483 -3.665 12.811 0.61 27.45 ? 572 LYS H HG3 1 ATOM 4769 H HD2 A LYS B 2 252 ? -35.705 -6.292 13.635 0.39 32.77 ? 572 LYS H HD2 1 ATOM 4770 H HD2 B LYS B 2 252 ? -36.516 -5.981 12.557 0.61 32.21 ? 572 LYS H HD2 1 ATOM 4771 H HD3 A LYS B 2 252 ? -37.175 -5.697 13.772 0.39 32.77 ? 572 LYS H HD3 1 ATOM 4772 H HD3 B LYS B 2 252 ? -35.706 -6.139 13.920 0.61 32.21 ? 572 LYS H HD3 1 ATOM 4773 H HE2 A LYS B 2 252 ? -37.129 -5.409 11.376 0.39 36.19 ? 572 LYS H HE2 1 ATOM 4774 H HE2 B LYS B 2 252 ? -37.498 -5.279 15.114 0.61 34.64 ? 572 LYS H HE2 1 ATOM 4775 H HE3 A LYS B 2 252 ? -35.837 -6.336 11.383 0.39 36.19 ? 572 LYS H HE3 1 ATOM 4776 H HE3 B LYS B 2 252 ? -38.299 -5.022 13.765 0.61 34.64 ? 572 LYS H HE3 1 ATOM 4777 H HZ1 A LYS B 2 252 ? -37.701 -7.572 10.961 0.39 38.75 ? 572 LYS H HZ1 1 ATOM 4778 H HZ1 B LYS B 2 252 ? -39.033 -6.919 14.777 0.61 37.97 ? 572 LYS H HZ1 1 ATOM 4779 H HZ2 A LYS B 2 252 ? -37.134 -8.016 12.219 0.39 38.75 ? 572 LYS H HZ2 1 ATOM 4780 H HZ2 B LYS B 2 252 ? -38.443 -7.280 13.504 0.61 37.97 ? 572 LYS H HZ2 1 ATOM 4781 H HZ3 A LYS B 2 252 ? -38.311 -7.171 12.212 0.39 38.75 ? 572 LYS H HZ3 1 ATOM 4782 H HZ3 B LYS B 2 252 ? -37.713 -7.514 14.733 0.61 37.97 ? 572 LYS H HZ3 1 ATOM 4783 N N . VAL B 2 253 ? -32.481 -2.852 14.464 1.00 13.93 ? 573 VAL H N 1 ATOM 4784 C CA . VAL B 2 253 ? -32.081 -2.505 15.820 1.00 12.83 ? 573 VAL H CA 1 ATOM 4785 C C . VAL B 2 253 ? -31.696 -1.024 15.890 1.00 14.24 ? 573 VAL H C 1 ATOM 4786 O O . VAL B 2 253 ? -32.173 -0.258 16.753 1.00 15.64 ? 573 VAL H O 1 ATOM 4787 C CB . VAL B 2 253 ? -30.951 -3.400 16.329 1.00 13.00 ? 573 VAL H CB 1 ATOM 4788 C CG1 . VAL B 2 253 ? -30.413 -2.895 17.647 1.00 14.94 ? 573 VAL H CG1 1 ATOM 4789 C CG2 . VAL B 2 253 ? -31.429 -4.841 16.439 1.00 15.19 ? 573 VAL H CG2 1 ATOM 4790 H H . VAL B 2 253 ? -31.965 -3.426 14.084 1.00 16.70 ? 573 VAL H H 1 ATOM 4791 H HA . VAL B 2 253 ? -32.850 -2.637 16.413 1.00 15.38 ? 573 VAL H HA 1 ATOM 4792 H HB . VAL B 2 253 ? -30.216 -3.379 15.680 1.00 15.58 ? 573 VAL H HB 1 ATOM 4793 H HG11 . VAL B 2 253 ? -29.708 -3.476 17.940 1.00 17.91 ? 573 VAL H HG11 1 ATOM 4794 H HG12 . VAL B 2 253 ? -30.076 -2.005 17.526 1.00 17.91 ? 573 VAL H HG12 1 ATOM 4795 H HG13 . VAL B 2 253 ? -31.124 -2.891 18.293 1.00 17.91 ? 573 VAL H HG13 1 ATOM 4796 H HG21 . VAL B 2 253 ? -30.706 -5.386 16.759 1.00 18.21 ? 573 VAL H HG21 1 ATOM 4797 H HG22 . VAL B 2 253 ? -32.166 -4.879 17.053 1.00 18.21 ? 573 VAL H HG22 1 ATOM 4798 H HG23 . VAL B 2 253 ? -31.709 -5.144 15.572 1.00 18.21 ? 573 VAL H HG23 1 ATOM 4799 N N . ILE B 2 254 ? -30.870 -0.584 14.963 1.00 14.08 ? 574 ILE H N 1 ATOM 4800 C CA . ILE B 2 254 ? -30.384 0.773 15.057 1.00 17.36 ? 574 ILE H CA 1 ATOM 4801 C C . ILE B 2 254 ? -31.525 1.771 14.781 1.00 19.23 ? 574 ILE H C 1 ATOM 4802 O O . ILE B 2 254 ? -31.616 2.808 15.444 1.00 21.57 ? 574 ILE H O 1 ATOM 4803 C CB . ILE B 2 254 ? -29.092 0.972 14.212 1.00 18.13 ? 574 ILE H CB 1 ATOM 4804 C CG1 . ILE B 2 254 ? -27.960 0.095 14.807 1.00 17.99 ? 574 ILE H CG1 1 ATOM 4805 C CG2 . ILE B 2 254 ? -28.687 2.439 14.225 1.00 21.71 ? 574 ILE H CG2 1 ATOM 4806 C CD1 . ILE B 2 254 ? -26.690 0.090 14.050 1.00 19.97 ? 574 ILE H CD1 1 ATOM 4807 H H . ILE B 2 254 ? -30.583 -1.034 14.289 1.00 16.88 ? 574 ILE H H 1 ATOM 4808 H HA . ILE B 2 254 ? -30.120 0.919 15.990 1.00 20.82 ? 574 ILE H HA 1 ATOM 4809 H HB . ILE B 2 254 ? -29.263 0.696 13.298 1.00 21.75 ? 574 ILE H HB 1 ATOM 4810 H HG12 . ILE B 2 254 ? -27.763 0.414 15.702 1.00 21.57 ? 574 ILE H HG12 1 ATOM 4811 H HG13 . ILE B 2 254 ? -28.274 -0.821 14.853 1.00 21.57 ? 574 ILE H HG13 1 ATOM 4812 H HG21 . ILE B 2 254 ? -27.890 2.547 13.701 1.00 26.03 ? 574 ILE H HG21 1 ATOM 4813 H HG22 . ILE B 2 254 ? -29.399 2.963 13.851 1.00 26.03 ? 574 ILE H HG22 1 ATOM 4814 H HG23 . ILE B 2 254 ? -28.523 2.709 15.131 1.00 26.03 ? 574 ILE H HG23 1 ATOM 4815 H HD11 . ILE B 2 254 ? -26.061 -0.479 14.499 1.00 23.95 ? 574 ILE H HD11 1 ATOM 4816 H HD12 . ILE B 2 254 ? -26.856 -0.240 13.164 1.00 23.95 ? 574 ILE H HD12 1 ATOM 4817 H HD13 . ILE B 2 254 ? -26.349 0.987 14.007 1.00 23.95 ? 574 ILE H HD13 1 ATOM 4818 N N . ASP B 2 255 ? -32.418 1.440 13.860 1.00 20.16 ? 575 ASP H N 1 ATOM 4819 C CA . ASP B 2 255 ? -33.557 2.312 13.549 1.00 22.65 ? 575 ASP H CA 1 ATOM 4820 C C . ASP B 2 255 ? -34.471 2.440 14.754 1.00 22.17 ? 575 ASP H C 1 ATOM 4821 O O . ASP B 2 255 ? -35.011 3.519 15.023 1.00 24.34 ? 575 ASP H O 1 ATOM 4822 C CB . ASP B 2 255 ? -34.379 1.763 12.389 1.00 27.17 ? 575 ASP H CB 1 ATOM 4823 C CG . ASP B 2 255 ? -33.710 1.962 11.048 1.00 29.07 ? 575 ASP H CG 1 ATOM 4824 O OD1 . ASP B 2 255 ? -34.237 1.423 10.053 1.00 30.89 ? 575 ASP H OD1 1 ATOM 4825 O OD2 . ASP B 2 255 ? -32.648 2.623 10.994 1.00 31.21 ? 575 ASP H OD2 1 ATOM 4826 H H . ASP B 2 255 ? -32.393 0.716 13.397 1.00 24.18 ? 575 ASP H H 1 ATOM 4827 H HA . ASP B 2 255 ? -33.232 3.205 13.307 1.00 27.17 ? 575 ASP H HA 1 ATOM 4828 H HB2 . ASP B 2 255 ? -34.512 0.811 12.520 1.00 32.59 ? 575 ASP H HB2 1 ATOM 4829 H HB3 . ASP B 2 255 ? -35.236 2.218 12.367 1.00 32.59 ? 575 ASP H HB3 1 ATOM 4830 N N . GLN B 2 256 ? -34.678 1.336 15.470 1.00 20.49 ? 576 GLN H N 1 ATOM 4831 C CA . GLN B 2 256 ? -35.579 1.338 16.619 1.00 21.31 ? 576 GLN H CA 1 ATOM 4832 C C . GLN B 2 256 ? -34.993 1.994 17.844 1.00 20.85 ? 576 GLN H C 1 ATOM 4833 O O . GLN B 2 256 ? -35.712 2.669 18.600 1.00 22.74 ? 576 GLN H O 1 ATOM 4834 C CB . GLN B 2 256 ? -36.003 -0.089 16.978 1.00 23.67 ? 576 GLN H CB 1 ATOM 4835 C CG . GLN B 2 256 ? -36.951 -0.148 18.181 1.00 28.82 ? 576 GLN H CG 1 ATOM 4836 C CD . GLN B 2 256 ? -37.528 -1.535 18.400 1.00 33.28 ? 576 GLN H CD 1 ATOM 4837 O OE1 . GLN B 2 256 ? -37.296 -2.452 17.603 1.00 36.01 ? 576 GLN H OE1 1 ATOM 4838 N NE2 . GLN B 2 256 ? -38.281 -1.696 19.484 1.00 34.81 ? 576 GLN H NE2 1 ATOM 4839 H H . GLN B 2 256 ? -34.309 0.576 15.311 1.00 24.57 ? 576 GLN H H 1 ATOM 4840 H HA . GLN B 2 256 ? -36.388 1.835 16.377 1.00 25.56 ? 576 GLN H HA 1 ATOM 4841 H HB2 . GLN B 2 256 ? -36.460 -0.483 16.218 1.00 28.39 ? 576 GLN H HB2 1 ATOM 4842 H HB3 . GLN B 2 256 ? -35.213 -0.608 17.194 1.00 28.39 ? 576 GLN H HB3 1 ATOM 4843 H HG2 . GLN B 2 256 ? -36.463 0.105 18.980 1.00 34.57 ? 576 GLN H HG2 1 ATOM 4844 H HG3 . GLN B 2 256 ? -37.688 0.465 18.033 1.00 34.57 ? 576 GLN H HG3 1 ATOM 4845 H HE21 . GLN B 2 256 ? -38.631 -2.463 19.654 1.00 41.75 ? 576 GLN H HE21 1 ATOM 4846 H HE22 . GLN B 2 256 ? -38.418 -1.033 20.015 1.00 41.75 ? 576 GLN H HE22 1 ATOM 4847 N N . PHE B 2 257 ? -33.711 1.774 18.080 1.00 18.25 ? 577 PHE H N 1 ATOM 4848 C CA . PHE B 2 257 ? -33.096 2.184 19.323 1.00 19.51 ? 577 PHE H CA 1 ATOM 4849 C C . PHE B 2 257 ? -32.214 3.418 19.196 1.00 21.12 ? 577 PHE H C 1 ATOM 4850 O O . PHE B 2 257 ? -31.767 3.967 20.201 1.00 24.91 ? 577 PHE H O 1 ATOM 4851 C CB . PHE B 2 257 ? -32.382 1.004 19.968 1.00 18.95 ? 577 PHE H CB 1 ATOM 4852 C CG . PHE B 2 257 ? -33.318 -0.094 20.360 1.00 19.83 ? 577 PHE H CG 1 ATOM 4853 C CD1 . PHE B 2 257 ? -34.180 0.076 21.436 1.00 23.28 ? 577 PHE H CD1 1 ATOM 4854 C CD2 . PHE B 2 257 ? -33.392 -1.259 19.646 1.00 20.06 ? 577 PHE H CD2 1 ATOM 4855 C CE1 . PHE B 2 257 ? -35.061 -0.903 21.798 1.00 24.02 ? 577 PHE H CE1 1 ATOM 4856 C CE2 . PHE B 2 257 ? -34.265 -2.248 20.016 1.00 21.28 ? 577 PHE H CE2 1 ATOM 4857 C CZ . PHE B 2 257 ? -35.113 -2.064 21.094 1.00 23.29 ? 577 PHE H CZ 1 ATOM 4858 H H . PHE B 2 257 ? -33.174 1.387 17.531 1.00 21.88 ? 577 PHE H H 1 ATOM 4859 H HA . PHE B 2 257 ? -33.821 2.432 19.935 1.00 23.39 ? 577 PHE H HA 1 ATOM 4860 H HB2 . PHE B 2 257 ? -31.740 0.640 19.339 1.00 22.73 ? 577 PHE H HB2 1 ATOM 4861 H HB3 . PHE B 2 257 ? -31.926 1.309 20.768 1.00 22.73 ? 577 PHE H HB3 1 ATOM 4862 H HD1 . PHE B 2 257 ? -34.151 0.868 21.923 1.00 27.92 ? 577 PHE H HD1 1 ATOM 4863 H HD2 . PHE B 2 257 ? -32.826 -1.392 18.920 1.00 24.06 ? 577 PHE H HD2 1 ATOM 4864 H HE1 . PHE B 2 257 ? -35.623 -0.776 22.528 1.00 28.81 ? 577 PHE H HE1 1 ATOM 4865 H HE2 . PHE B 2 257 ? -34.302 -3.040 19.529 1.00 25.52 ? 577 PHE H HE2 1 ATOM 4866 H HZ . PHE B 2 257 ? -35.707 -2.734 21.341 1.00 27.93 ? 577 PHE H HZ 1 ATOM 4867 N N . GLY B 2 258 ? -32.015 3.889 17.972 1.00 20.07 ? 578 GLY H N 1 ATOM 4868 C CA . GLY B 2 258 ? -31.429 5.202 17.754 1.00 21.00 ? 578 GLY H CA 1 ATOM 4869 C C . GLY B 2 258 ? -29.976 5.143 17.345 1.00 21.66 ? 578 GLY H C 1 ATOM 4870 O O . GLY B 2 258 ? -29.131 4.535 18.006 1.00 22.72 ? 578 GLY H O 1 ATOM 4871 H H . GLY B 2 258 ? -32.212 3.467 17.250 1.00 24.07 ? 578 GLY H H 1 ATOM 4872 H HA2 . GLY B 2 258 ? -31.923 5.662 17.058 1.00 25.19 ? 578 GLY H HA2 1 ATOM 4873 H HA3 . GLY B 2 258 ? -31.495 5.722 18.570 1.00 25.19 ? 578 GLY H HA3 1 ATOM 4874 N N . GLU B 2 259 ? -29.686 5.765 16.216 1.00 24.59 ? 579 GLU H N 1 ATOM 4875 C CA . GLU B 2 259 ? -28.319 5.877 15.742 1.00 26.86 ? 579 GLU H CA 1 ATOM 4876 C C . GLU B 2 259 ? -27.480 6.614 16.797 1.00 25.96 ? 579 GLU H C 1 ATOM 4877 O O . GLU B 2 259 ? -26.351 6.233 17.107 1.00 25.11 ? 579 GLU H O 1 ATOM 4878 C CB . GLU B 2 259 ? -28.328 6.629 14.409 1.00 35.15 ? 579 GLU H CB 1 ATOM 4879 C CG . GLU B 2 259 ? -26.974 6.921 13.789 1.00 41.84 ? 579 GLU H CG 1 ATOM 4880 C CD . GLU B 2 259 ? -27.101 7.609 12.430 1.00 46.72 ? 579 GLU H CD 1 ATOM 4881 O OE1 . GLU B 2 259 ? -26.121 8.243 11.980 1.00 49.01 ? 579 GLU H OE1 1 ATOM 4882 O OE2 . GLU B 2 259 ? -28.184 7.515 11.810 1.00 48.47 ? 579 GLU H OE2 1 ATOM 4883 O OXT . GLU B 2 259 ? -27.915 7.610 17.388 1.00 28.88 ? 579 GLU H OXT 1 ATOM 4884 H H . GLU B 2 259 ? -30.267 6.134 15.701 1.00 29.49 ? 579 GLU H H 1 ATOM 4885 H HA . GLU B 2 259 ? -27.940 4.984 15.601 1.00 32.22 ? 579 GLU H HA 1 ATOM 4886 H HB2 . GLU B 2 259 ? -28.831 6.103 13.767 1.00 42.17 ? 579 GLU H HB2 1 ATOM 4887 H HB3 . GLU B 2 259 ? -28.773 7.480 14.544 1.00 42.17 ? 579 GLU H HB3 1 ATOM 4888 H HG2 . GLU B 2 259 ? -26.474 7.506 14.379 1.00 50.19 ? 579 GLU H HG2 1 ATOM 4889 H HG3 . GLU B 2 259 ? -26.496 6.087 13.662 1.00 50.19 ? 579 GLU H HG3 1 HETATM 4890 N N . DPN C 3 1 ? -15.596 -25.592 18.529 1.00 14.11 ? 1 DPN I N 1 HETATM 4891 C CA . DPN C 3 1 ? -17.034 -25.172 18.574 1.00 11.34 ? 1 DPN I CA 1 HETATM 4892 C C . DPN C 3 1 ? -16.997 -23.667 18.529 1.00 9.91 ? 1 DPN I C 1 HETATM 4893 O O . DPN C 3 1 ? -16.354 -23.080 17.659 1.00 10.61 ? 1 DPN I O 1 HETATM 4894 C CB . DPN C 3 1 ? -17.800 -25.775 17.403 1.00 11.74 ? 1 DPN I CB 1 HETATM 4895 C CG . DPN C 3 1 ? -19.250 -25.403 17.432 1.00 11.51 ? 1 DPN I CG 1 HETATM 4896 C CD1 . DPN C 3 1 ? -19.793 -24.589 16.486 1.00 11.39 ? 1 DPN I CD1 1 HETATM 4897 C CD2 . DPN C 3 1 ? -20.067 -25.914 18.449 1.00 14.62 ? 1 DPN I CD2 1 HETATM 4898 C CE1 . DPN C 3 1 ? -21.129 -24.249 16.500 1.00 12.55 ? 1 DPN I CE1 1 HETATM 4899 C CE2 . DPN C 3 1 ? -21.399 -25.553 18.464 1.00 14.99 ? 1 DPN I CE2 1 HETATM 4900 C CZ . DPN C 3 1 ? -21.944 -24.727 17.492 1.00 13.83 ? 1 DPN I CZ 1 HETATM 4901 H H1 . DPN C 3 1 ? -15.479 -26.209 17.866 1.00 16.91 ? 1 DPN I H1 1 HETATM 4902 H H2 . DPN C 3 1 ? -15.361 -25.960 19.331 1.00 16.91 ? 1 DPN I H2 1 HETATM 4903 H HA . DPN C 3 1 ? -17.429 -25.470 19.414 1.00 13.59 ? 1 DPN I HA 1 HETATM 4904 H HB2 . DPN C 3 1 ? -17.407 -25.457 16.567 1.00 14.07 ? 1 DPN I HB2 1 HETATM 4905 H HB3 . DPN C 3 1 ? -17.722 -26.749 17.440 1.00 14.07 ? 1 DPN I HB3 1 HETATM 4906 H HD1 . DPN C 3 1 ? -19.223 -24.242 15.774 1.00 13.65 ? 1 DPN I HD1 1 HETATM 4907 H HD2 . DPN C 3 1 ? -19.699 -26.494 19.141 1.00 17.52 ? 1 DPN I HD2 1 HETATM 4908 H HE1 . DPN C 3 1 ? -21.491 -23.661 15.813 1.00 15.05 ? 1 DPN I HE1 1 HETATM 4909 H HE2 . DPN C 3 1 ? -21.977 -25.902 19.168 1.00 17.98 ? 1 DPN I HE2 1 HETATM 4910 H HZ . DPN C 3 1 ? -22.888 -24.490 17.516 1.00 16.58 ? 1 DPN I HZ 1 ATOM 4911 N N . PRO C 3 2 ? -17.684 -22.972 19.464 1.00 10.09 ? 2 PRO I N 1 ATOM 4912 C CA . PRO C 3 2 ? -17.642 -21.518 19.425 1.00 9.73 ? 2 PRO I CA 1 ATOM 4913 C C . PRO C 3 2 ? -16.229 -20.994 19.510 1.00 9.53 ? 2 PRO I C 1 ATOM 4914 O O . PRO C 3 2 ? -15.374 -21.574 20.178 1.00 10.49 ? 2 PRO I O 1 ATOM 4915 C CB . PRO C 3 2 ? -18.423 -21.111 20.657 1.00 11.39 ? 2 PRO I CB 1 ATOM 4916 C CG . PRO C 3 2 ? -19.389 -22.258 20.919 1.00 13.52 ? 2 PRO I CG 1 ATOM 4917 C CD . PRO C 3 2 ? -18.502 -23.492 20.581 1.00 12.05 ? 2 PRO I CD 1 ATOM 4918 H HA . PRO C 3 2 ? -18.083 -21.185 18.619 1.00 11.66 ? 2 PRO I HA 1 ATOM 4919 H HB2 . PRO C 3 2 ? -17.821 -20.996 21.416 1.00 13.65 ? 2 PRO I HB2 1 ATOM 4920 H HB3 . PRO C 3 2 ? -18.917 -20.286 20.487 1.00 13.65 ? 2 PRO I HB3 1 ATOM 4921 H HG2 . PRO C 3 2 ? -19.667 -22.273 21.856 1.00 16.21 ? 2 PRO I HG2 1 ATOM 4922 H HG3 . PRO C 3 2 ? -20.162 -22.209 20.325 1.00 16.21 ? 2 PRO I HG3 1 ATOM 4923 H HD2 . PRO C 3 2 ? -17.940 -23.737 21.342 1.00 14.45 ? 2 PRO I HD2 1 ATOM 4924 H HD3 . PRO C 3 2 ? -19.048 -24.244 20.291 1.00 14.45 ? 2 PRO I HD3 1 HETATM 4925 N N . DAR C 3 3 ? -16.010 -19.853 18.860 1.00 9.41 ? 3 DAR I N 1 HETATM 4926 C CA . DAR C 3 3 ? -14.729 -19.175 18.871 1.00 9.36 ? 3 DAR I CA 1 HETATM 4927 C CB . DAR C 3 3 ? -13.772 -19.755 17.862 1.00 11.41 ? 3 DAR I CB 1 HETATM 4928 C CG . DAR C 3 3 ? -12.640 -18.851 17.417 1.00 12.26 ? 3 DAR I CG 1 HETATM 4929 C CD . DAR C 3 3 ? -12.393 -18.907 15.893 1.00 11.55 ? 3 DAR I CD 1 HETATM 4930 N NE . DAR C 3 3 ? -11.811 -20.204 15.540 1.00 10.69 ? 3 DAR I NE 1 HETATM 4931 C CZ . DAR C 3 3 ? -11.189 -20.459 14.366 1.00 9.14 ? 3 DAR I CZ 1 HETATM 4932 N NH1 . DAR C 3 3 ? -11.272 -19.586 13.366 1.00 8.87 ? 3 DAR I NH1 1 HETATM 4933 N NH2 . DAR C 3 3 ? -10.547 -21.559 14.209 1.00 10.26 ? 3 DAR I NH2 1 HETATM 4934 C C . DAR C 3 3 ? -14.157 -19.132 20.296 1.00 9.32 ? 3 DAR I C 1 HETATM 4935 O O . DAR C 3 3 ? -13.023 -19.602 20.540 1.00 11.04 ? 3 DAR I O 1 HETATM 4936 H H . DAR C 3 3 ? -16.704 -19.469 18.407 1.00 11.27 ? 3 DAR I H 1 HETATM 4937 H HA . DAR C 3 3 ? -14.897 -18.250 18.604 1.00 11.22 ? 3 DAR I HA 1 HETATM 4938 H HB2 . DAR C 3 3 ? -14.284 -20.010 17.071 1.00 13.67 ? 3 DAR I HB2 1 HETATM 4939 H HB3 . DAR C 3 3 ? -13.381 -20.563 18.246 1.00 13.67 ? 3 DAR I HB3 1 HETATM 4940 H HG2 . DAR C 3 3 ? -12.861 -17.932 17.664 1.00 14.70 ? 3 DAR I HG2 1 HETATM 4941 H HG3 . DAR C 3 3 ? -11.822 -19.114 17.880 1.00 14.70 ? 3 DAR I HG3 1 HETATM 4942 H HD2 . DAR C 3 3 ? -13.240 -18.789 15.422 1.00 13.84 ? 3 DAR I HD2 1 HETATM 4943 H HD3 . DAR C 3 3 ? -11.776 -18.194 15.636 1.00 13.84 ? 3 DAR I HD3 1 HETATM 4944 H HE . DAR C 3 3 ? -11.675 -20.795 16.219 1.00 12.81 ? 3 DAR I HE 1 HETATM 4945 H HH11 . DAR C 3 3 ? -11.679 -18.784 13.494 1.00 10.63 ? 3 DAR I HH11 1 HETATM 4946 H HH21 . DAR C 3 3 ? -10.210 -21.774 13.388 1.00 12.30 ? 3 DAR I HH21 1 HETATM 4947 H HH22 . DAR C 3 3 ? -10.539 -22.179 14.878 1.00 12.30 ? 3 DAR I HH22 1 HETATM 4948 N N . DTH C 3 4 ? -14.926 -18.542 21.215 1.00 9.72 ? 4 DTH I N 1 HETATM 4949 C CA . DTH C 3 4 ? -14.497 -18.434 22.612 1.00 10.64 ? 4 DTH I CA 1 HETATM 4950 C CB . DTH C 3 4 ? -15.632 -17.723 23.414 1.00 11.98 ? 4 DTH I CB 1 HETATM 4951 C CG2 . DTH C 3 4 ? -15.803 -16.264 23.068 1.00 12.13 ? 4 DTH I CG2 1 HETATM 4952 O OG1 . DTH C 3 4 ? -15.283 -17.787 24.786 1.00 14.34 ? 4 DTH I OG1 1 HETATM 4953 C C . DTH C 3 4 ? -13.253 -17.643 22.714 1.00 11.87 ? 4 DTH I C 1 HETATM 4954 O O . DTH C 3 4 ? -12.870 -16.765 21.921 1.00 11.17 ? 4 DTH I O 1 HETATM 4955 H H . DTH C 3 4 ? -15.742 -18.215 20.972 1.00 11.65 ? 4 DTH I H 1 HETATM 4956 H HA . DTH C 3 4 ? -14.349 -19.328 22.977 1.00 12.76 ? 4 DTH I HA 1 HETATM 4957 H HB . DTH C 3 4 ? -14.789 -17.253 23.527 1.00 14.37 ? 4 DTH I HB 1 HETATM 4958 H HG21 . DTH C 3 4 ? -15.434 -16.095 22.181 1.00 14.55 ? 4 DTH I HG21 1 HETATM 4959 H HG22 . DTH C 3 4 ? -16.754 -16.038 23.074 1.00 14.55 ? 4 DTH I HG22 1 HETATM 4960 H HG23 . DTH C 3 4 ? -15.333 -15.716 23.726 1.00 14.55 ? 4 DTH I HG23 1 HETATM 4961 H HG1 . DTH C 3 4 ? -15.880 -18.284 25.221 1.00 17.20 ? 4 DTH I HG1 1 HETATM 4962 N N . NH2 C 3 5 ? -12.465 -17.941 23.776 1.00 16.18 ? 5 NH2 I N 1 HETATM 4963 H HN1 . NH2 C 3 5 ? -11.679 -17.493 23.901 1.00 19.40 ? 5 NH2 I HN1 1 HETATM 4964 H HN2 . NH2 C 3 5 ? -12.723 -18.584 24.369 1.00 19.40 ? 5 NH2 I HN2 1 HETATM 4965 C C1 . NAG D 4 . ? -29.432 -14.156 30.598 1.00 47.10 ? 601 NAG H C1 1 HETATM 4966 C C2 . NAG D 4 . ? -30.701 -14.992 30.398 1.00 54.64 ? 601 NAG H C2 1 HETATM 4967 C C3 . NAG D 4 . ? -31.970 -14.172 30.640 1.00 60.07 ? 601 NAG H C3 1 HETATM 4968 C C4 . NAG D 4 . ? -31.860 -13.352 31.915 1.00 60.48 ? 601 NAG H C4 1 HETATM 4969 C C5 . NAG D 4 . ? -30.568 -12.547 31.891 1.00 57.84 ? 601 NAG H C5 1 HETATM 4970 C C6 . NAG D 4 . ? -30.454 -11.679 33.136 1.00 59.35 ? 601 NAG H C6 1 HETATM 4971 C C7 . NAG D 4 . ? -30.621 -16.880 28.858 1.00 56.06 ? 601 NAG H C7 1 HETATM 4972 C C8 . NAG D 4 . ? -30.974 -17.387 27.492 1.00 55.45 ? 601 NAG H C8 1 HETATM 4973 N N2 . NAG D 4 . ? -30.734 -15.567 29.061 1.00 55.39 ? 601 NAG H N2 1 HETATM 4974 O O3 . NAG D 4 . ? -33.098 -15.014 30.736 1.00 62.31 ? 601 NAG H O3 1 HETATM 4975 O O4 . NAG D 4 . ? -32.964 -12.478 32.013 1.00 61.32 ? 601 NAG H O4 1 HETATM 4976 O O5 . NAG D 4 . ? -29.467 -13.429 31.807 1.00 52.31 ? 601 NAG H O5 1 HETATM 4977 O O6 . NAG D 4 . ? -29.337 -10.833 33.002 1.00 59.96 ? 601 NAG H O6 1 HETATM 4978 O O7 . NAG D 4 . ? -30.244 -17.661 29.729 1.00 58.14 ? 601 NAG H O7 1 HETATM 4979 NA NA . NA E 5 . ? -7.045 -24.867 7.903 0.65 8.98 ? 602 NA H NA 1 HETATM 4980 I I . IOD F 6 . ? -18.871 5.832 28.415 0.50 17.75 ? 603 IOD H I 1 HETATM 4981 CL CL . CL G 7 . ? -2.188 -31.357 -0.534 0.73 12.24 ? 604 CL H CL 1 HETATM 4982 C C1 . MRD H 8 . ? -19.230 1.198 -7.375 1.00 23.44 ? 605 MRD H C1 1 HETATM 4983 C C2 . MRD H 8 . ? -20.163 0.588 -8.410 1.00 36.41 ? 605 MRD H C2 1 HETATM 4984 O O2 . MRD H 8 . ? -21.505 1.036 -8.072 1.00 44.04 ? 605 MRD H O2 1 HETATM 4985 C CM . MRD H 8 . ? -19.756 1.129 -9.775 1.00 51.38 ? 605 MRD H CM 1 HETATM 4986 C C3 . MRD H 8 . ? -20.060 -0.941 -8.391 1.00 28.93 ? 605 MRD H C3 1 HETATM 4987 C C4 . MRD H 8 . ? -20.885 -1.701 -7.349 1.00 40.61 ? 605 MRD H C4 1 HETATM 4988 O O4 . MRD H 8 . ? -22.120 -1.092 -7.057 1.00 38.12 ? 605 MRD H O4 1 HETATM 4989 C C5 . MRD H 8 . ? -20.135 -1.808 -6.029 1.00 40.22 ? 605 MRD H C5 1 HETATM 4990 H H1C1 . MRD H 8 . ? -19.813 1.778 -6.658 1.00 28.12 ? 605 MRD H H1C1 1 HETATM 4991 H H1C2 . MRD H 8 . ? -18.513 1.851 -7.872 1.00 28.12 ? 605 MRD H H1C2 1 HETATM 4992 H H1C3 . MRD H 8 . ? -18.698 0.403 -6.852 1.00 28.12 ? 605 MRD H H1C3 1 HETATM 4993 H H2 . MRD H 8 . ? -22.075 0.257 -7.900 1.00 52.83 ? 605 MRD H H2 1 HETATM 4994 H HMC1 . MRD H 8 . ? -19.483 0.300 -10.428 1.00 61.65 ? 605 MRD H HMC1 1 HETATM 4995 H HMC2 . MRD H 8 . ? -20.590 1.677 -10.212 1.00 61.65 ? 605 MRD H HMC2 1 HETATM 4996 H HMC3 . MRD H 8 . ? -18.902 1.798 -9.661 1.00 61.65 ? 605 MRD H HMC3 1 HETATM 4997 H H3C1 . MRD H 8 . ? -19.012 -1.206 -8.249 1.00 34.70 ? 605 MRD H H3C1 1 HETATM 4998 H H3C2 . MRD H 8 . ? -20.342 -1.309 -9.378 1.00 34.70 ? 605 MRD H H3C2 1 HETATM 4999 H H4 . MRD H 8 . ? -21.060 -2.710 -7.723 1.00 48.72 ? 605 MRD H H4 1 HETATM 5000 H HA . MRD H 8 . ? -22.834 -1.762 -7.100 1.00 45.73 ? 605 MRD H HA 1 HETATM 5001 H H5C1 . MRD H 8 . ? -19.199 -1.254 -6.096 1.00 48.25 ? 605 MRD H H5C1 1 HETATM 5002 H H5C2 . MRD H 8 . ? -20.747 -1.391 -5.229 1.00 48.25 ? 605 MRD H H5C2 1 HETATM 5003 H H5C3 . MRD H 8 . ? -19.923 -2.856 -5.815 1.00 48.25 ? 605 MRD H H5C3 1 HETATM 5004 C C1 . MRD I 8 . ? -12.859 -8.093 -9.726 1.00 35.22 ? 606 MRD H C1 1 HETATM 5005 C C2 . MRD I 8 . ? -13.940 -7.324 -8.965 1.00 20.63 ? 606 MRD H C2 1 HETATM 5006 O O2 . MRD I 8 . ? -15.210 -7.631 -9.597 1.00 26.29 ? 606 MRD H O2 1 HETATM 5007 C CM . MRD I 8 . ? -14.037 -7.842 -7.535 1.00 22.23 ? 606 MRD H CM 1 HETATM 5008 C C3 . MRD I 8 . ? -13.620 -5.842 -8.934 1.00 24.12 ? 606 MRD H C3 1 HETATM 5009 C C4 . MRD I 8 . ? -13.500 -5.257 -10.323 1.00 22.16 ? 606 MRD H C4 1 HETATM 5010 O O4 . MRD I 8 . ? -13.024 -3.953 -10.205 1.00 51.12 ? 606 MRD H O4 1 HETATM 5011 C C5 . MRD I 8 . ? -14.835 -5.222 -11.008 1.00 14.32 ? 606 MRD H C5 1 HETATM 5012 H H1C1 . MRD I 8 . ? -12.401 -8.828 -9.064 1.00 42.25 ? 606 MRD H H1C1 1 HETATM 5013 H H1C2 . MRD I 8 . ? -13.307 -8.601 -10.580 1.00 42.25 ? 606 MRD H H1C2 1 HETATM 5014 H H1C3 . MRD I 8 . ? -12.097 -7.396 -10.077 1.00 42.25 ? 606 MRD H H1C3 1 HETATM 5015 H H2 . MRD I 8 . ? -15.637 -6.800 -9.894 1.00 31.54 ? 606 MRD H H2 1 HETATM 5016 H HMC1 . MRD I 8 . ? -13.854 -7.024 -6.839 1.00 26.66 ? 606 MRD H HMC1 1 HETATM 5017 H HMC2 . MRD I 8 . ? -15.034 -8.249 -7.363 1.00 26.66 ? 606 MRD H HMC2 1 HETATM 5018 H HMC3 . MRD I 8 . ? -13.294 -8.624 -7.381 1.00 26.66 ? 606 MRD H HMC3 1 HETATM 5019 H H3C1 . MRD I 8 . ? -12.684 -5.688 -8.397 1.00 28.93 ? 606 MRD H H3C1 1 HETATM 5020 H H3C2 . MRD I 8 . ? -14.404 -5.316 -8.389 1.00 28.93 ? 606 MRD H H3C2 1 HETATM 5021 H H4 . MRD I 8 . ? -12.810 -5.862 -10.910 1.00 26.57 ? 606 MRD H H4 1 HETATM 5022 H HA . MRD I 8 . ? -12.357 -3.785 -10.903 1.00 61.33 ? 606 MRD H HA 1 HETATM 5023 H H5C1 . MRD I 8 . ? -15.592 -5.649 -10.350 1.00 17.17 ? 606 MRD H H5C1 1 HETATM 5024 H H5C2 . MRD I 8 . ? -15.096 -4.189 -11.241 1.00 17.17 ? 606 MRD H H5C2 1 HETATM 5025 H H5C3 . MRD I 8 . ? -14.785 -5.801 -11.930 1.00 17.17 ? 606 MRD H H5C3 1 HETATM 5026 O O . HOH J 9 . ? 0.389 -3.701 0.534 1.00 15.63 ? 401 HOH L O 1 HETATM 5027 O O . HOH J 9 . ? -4.321 2.577 1.889 1.00 15.32 ? 402 HOH L O 1 HETATM 5028 O O . HOH J 9 . ? 0.707 5.166 8.535 1.00 21.04 ? 403 HOH L O 1 HETATM 5029 O O . HOH J 9 . ? -7.971 -19.101 -5.608 1.00 26.18 ? 404 HOH L O 1 HETATM 5030 O O . HOH J 9 . ? -3.198 -12.344 -2.949 1.00 12.81 ? 405 HOH L O 1 HETATM 5031 O O . HOH J 9 . ? 0.142 -10.948 -6.865 1.00 20.29 ? 406 HOH L O 1 HETATM 5032 O O . HOH J 9 . ? -6.504 -3.514 -1.179 1.00 18.65 ? 407 HOH L O 1 HETATM 5033 O O . HOH J 9 . ? -4.732 -1.487 -1.885 1.00 24.68 ? 408 HOH L O 1 HETATM 5034 O O . HOH J 9 . ? 2.690 -8.387 0.532 1.00 30.12 ? 409 HOH L O 1 HETATM 5035 O O . HOH J 9 . ? 2.700 3.820 7.207 1.00 25.70 ? 410 HOH L O 1 HETATM 5036 O O . HOH J 9 . ? -1.783 -9.414 6.686 1.00 19.83 ? 411 HOH L O 1 HETATM 5037 O O . HOH J 9 . ? -4.996 11.753 8.439 1.00 30.06 ? 412 HOH L O 1 HETATM 5038 O O . HOH J 9 . ? -11.554 -11.828 -10.398 1.00 32.72 ? 413 HOH L O 1 HETATM 5039 O O . HOH J 9 . ? 2.275 3.754 0.718 1.00 29.80 ? 414 HOH L O 1 HETATM 5040 O O . HOH J 9 . ? -10.616 10.827 9.859 1.00 31.44 ? 415 HOH L O 1 HETATM 5041 O O . HOH J 9 . ? -4.563 -14.614 -12.944 1.00 38.74 ? 416 HOH L O 1 HETATM 5042 O O . HOH J 9 . ? 1.242 11.042 3.327 1.00 36.37 ? 417 HOH L O 1 HETATM 5043 O O . HOH J 9 . ? -4.269 4.813 -0.089 1.00 35.78 ? 418 HOH L O 1 HETATM 5044 O O . HOH J 9 . ? -5.521 7.050 -0.588 1.00 41.61 ? 419 HOH L O 1 HETATM 5045 O O . HOH J 9 . ? 2.298 -11.229 5.568 1.00 39.50 ? 420 HOH L O 1 HETATM 5046 O O . HOH J 9 . ? 2.812 2.827 4.724 1.00 30.11 ? 421 HOH L O 1 HETATM 5047 O O . HOH J 9 . ? -2.161 -13.219 1.472 1.00 16.85 ? 422 HOH L O 1 HETATM 5048 O O . HOH J 9 . ? -1.531 -13.115 -6.539 1.00 21.90 ? 423 HOH L O 1 HETATM 5049 O O . HOH J 9 . ? 1.641 7.733 9.361 1.00 32.73 ? 424 HOH L O 1 HETATM 5050 O O . HOH J 9 . ? -0.311 -4.892 -7.155 1.00 36.71 ? 425 HOH L O 1 HETATM 5051 O O . HOH J 9 . ? 4.531 -4.247 11.259 1.00 36.13 ? 426 HOH L O 1 HETATM 5052 O O . HOH J 9 . ? -7.126 13.048 2.773 1.00 43.94 ? 427 HOH L O 1 HETATM 5053 O O . HOH J 9 . ? 5.119 -8.169 8.894 1.00 40.73 ? 428 HOH L O 1 HETATM 5054 O O . HOH J 9 . ? 1.492 -1.539 -0.963 1.00 36.41 ? 429 HOH L O 1 HETATM 5055 O O . HOH J 9 . ? 0.044 -12.131 4.032 1.00 32.80 ? 430 HOH L O 1 HETATM 5056 O O . HOH J 9 . ? -2.428 -4.812 -8.562 1.00 35.23 ? 431 HOH L O 1 HETATM 5057 O O . HOH J 9 . ? 1.693 8.991 -0.902 1.00 48.61 ? 432 HOH L O 1 HETATM 5058 O O . HOH J 9 . ? -3.559 13.688 7.182 1.00 44.23 ? 433 HOH L O 1 HETATM 5059 O O . HOH J 9 . ? 2.091 8.233 11.920 1.00 46.76 ? 434 HOH L O 1 HETATM 5060 O O . HOH J 9 . ? 1.943 5.678 12.742 1.00 42.44 ? 435 HOH L O 1 HETATM 5061 O O . HOH J 9 . ? -0.479 -12.553 -2.862 1.00 25.96 ? 436 HOH L O 1 HETATM 5062 O O . HOH J 9 . ? -15.623 -14.250 -10.809 1.00 44.41 ? 437 HOH L O 1 HETATM 5063 O O . HOH J 9 . ? 4.447 -7.538 3.887 1.00 45.12 ? 438 HOH L O 1 HETATM 5064 O O . HOH J 9 . ? -15.743 10.297 3.168 1.00 47.11 ? 439 HOH L O 1 HETATM 5065 O O . HOH J 9 . ? -3.963 -13.308 -5.223 1.00 17.62 ? 440 HOH L O 1 HETATM 5066 O O . HOH J 9 . ? 4.489 -4.432 1.185 1.00 39.35 ? 441 HOH L O 1 HETATM 5067 O O . HOH J 9 . ? -16.867 -20.307 -6.609 1.00 42.66 ? 442 HOH L O 1 HETATM 5068 O O . HOH J 9 . ? -6.096 -18.810 -8.210 1.00 36.74 ? 443 HOH L O 1 HETATM 5069 O O . HOH J 9 . ? 0.190 5.110 -1.914 1.00 45.07 ? 444 HOH L O 1 HETATM 5070 O O . HOH J 9 . ? -10.973 -19.707 -6.856 1.00 39.51 ? 445 HOH L O 1 HETATM 5071 O O . HOH J 9 . ? -9.481 8.995 1.645 1.00 38.93 ? 446 HOH L O 1 HETATM 5072 O O . HOH J 9 . ? 4.970 5.086 6.973 1.00 47.67 ? 447 HOH L O 1 HETATM 5073 O O . HOH J 9 . ? -13.452 10.995 1.648 1.00 47.51 ? 448 HOH L O 1 HETATM 5074 O O . HOH J 9 . ? 2.970 -0.658 1.409 1.00 38.81 ? 449 HOH L O 1 HETATM 5075 O O . HOH J 9 . ? -12.400 -19.682 -10.784 1.00 49.34 ? 450 HOH L O 1 HETATM 5076 O O . HOH J 9 . ? 1.683 -7.098 -3.343 1.00 38.59 ? 451 HOH L O 1 HETATM 5077 O O . HOH J 9 . ? -0.098 11.447 10.837 1.00 44.55 ? 452 HOH L O 1 HETATM 5078 O O . HOH J 9 . ? 0.996 -6.501 -0.364 1.00 28.92 ? 453 HOH L O 1 HETATM 5079 O O . HOH J 9 . ? -6.904 -21.087 -6.734 1.00 45.71 ? 454 HOH L O 1 HETATM 5080 O O . HOH J 9 . ? 4.200 2.614 2.827 1.00 51.35 ? 455 HOH L O 1 HETATM 5081 O O . HOH J 9 . ? -1.369 -12.525 0.008 1.00 55.38 ? 456 HOH L O 1 HETATM 5082 O O . HOH K 9 . ? -33.937 -2.739 23.877 1.00 53.67 ? 701 HOH H O 1 HETATM 5083 O O . HOH K 9 . ? -19.657 -14.136 14.307 1.00 51.25 ? 702 HOH H O 1 HETATM 5084 O O . HOH K 9 . ? -6.009 1.942 15.789 1.00 14.05 ? 703 HOH H O 1 HETATM 5085 O O . HOH K 9 . ? -5.813 4.953 10.954 1.00 12.87 ? 704 HOH H O 1 HETATM 5086 O O . HOH K 9 . ? -21.863 1.300 7.117 1.00 15.89 ? 705 HOH H O 1 HETATM 5087 O O . HOH K 9 . ? -16.871 -7.387 14.668 1.00 11.18 ? 706 HOH H O 1 HETATM 5088 O O . HOH K 9 . ? -9.439 0.649 17.364 1.00 10.26 ? 707 HOH H O 1 HETATM 5089 O O . HOH K 9 . ? -10.312 -7.445 0.379 1.00 8.78 ? 708 HOH H O 1 HETATM 5090 O O . HOH K 9 . ? -8.475 -22.954 -4.247 1.00 26.29 ? 709 HOH H O 1 HETATM 5091 O O . HOH K 9 . ? -26.218 6.377 28.129 1.00 20.10 ? 710 HOH H O 1 HETATM 5092 O O . HOH K 9 . ? -3.731 -12.672 17.778 1.00 9.80 ? 711 HOH H O 1 HETATM 5093 O O . HOH K 9 . ? -13.833 -29.869 2.732 1.00 17.67 ? 712 HOH H O 1 HETATM 5094 O O . HOH K 9 . ? -21.270 -10.182 4.420 1.00 7.82 ? 713 HOH H O 1 HETATM 5095 O O . HOH K 9 . ? -21.582 -28.991 7.125 1.00 16.74 ? 714 HOH H O 1 HETATM 5096 O O . HOH K 9 . ? -5.308 -21.369 6.288 1.00 9.12 ? 715 HOH H O 1 HETATM 5097 O O . HOH K 9 . ? -10.310 -18.567 9.054 1.00 8.81 ? 716 HOH H O 1 HETATM 5098 O O . HOH K 9 . ? -7.176 -3.468 8.344 1.00 15.47 ? 717 HOH H O 1 HETATM 5099 O O . HOH K 9 . ? -9.242 -4.542 9.950 1.00 9.44 ? 718 HOH H O 1 HETATM 5100 O O . HOH K 9 . ? 2.831 -9.294 19.179 1.00 18.63 ? 719 HOH H O 1 HETATM 5101 O O . HOH K 9 . ? -21.533 0.843 0.404 1.00 18.43 ? 720 HOH H O 1 HETATM 5102 O O . HOH K 9 . ? -13.429 -17.802 12.391 1.00 8.15 ? 721 HOH H O 1 HETATM 5103 O O . HOH K 9 . ? -30.537 -22.029 20.240 1.00 22.16 ? 722 HOH H O 1 HETATM 5104 O O . HOH K 9 . ? -29.665 -8.108 4.707 1.00 11.21 ? 723 HOH H O 1 HETATM 5105 O O . HOH K 9 . ? -9.361 -9.987 19.593 1.00 9.44 ? 724 HOH H O 1 HETATM 5106 O O . HOH K 9 . ? -8.681 -25.564 12.752 1.00 11.55 ? 725 HOH H O 1 HETATM 5107 O O . HOH K 9 . ? -20.570 -1.372 30.703 1.00 15.81 ? 726 HOH H O 1 HETATM 5108 O O . HOH K 9 . ? -9.260 -1.443 20.392 1.00 9.87 ? 727 HOH H O 1 HETATM 5109 O O . HOH K 9 . ? -17.965 -0.937 -2.593 1.00 14.47 ? 728 HOH H O 1 HETATM 5110 O O . HOH K 9 . ? -12.219 -25.768 18.830 1.00 18.78 ? 729 HOH H O 1 HETATM 5111 O O . HOH K 9 . ? -16.030 -30.318 -1.241 1.00 27.01 ? 730 HOH H O 1 HETATM 5112 O O . HOH K 9 . ? -4.839 -23.874 7.711 1.00 12.56 ? 731 HOH H O 1 HETATM 5113 O O . HOH K 9 . ? 4.158 -24.561 0.284 1.00 14.27 ? 732 HOH H O 1 HETATM 5114 O O . HOH K 9 . ? -17.992 6.264 25.041 1.00 21.73 ? 733 HOH H O 1 HETATM 5115 O O . HOH K 9 . ? -24.870 -28.540 13.816 1.00 15.49 ? 734 HOH H O 1 HETATM 5116 O O . HOH K 9 . ? 3.070 -26.515 1.917 1.00 12.98 ? 735 HOH H O 1 HETATM 5117 O O . HOH K 9 . ? -7.945 -23.190 6.353 1.00 8.92 ? 736 HOH H O 1 HETATM 5118 O O . HOH K 9 . ? -11.121 6.258 28.157 1.00 18.86 ? 737 HOH H O 1 HETATM 5119 O O . HOH K 9 . ? -6.588 -29.213 -0.663 1.00 17.03 ? 738 HOH H O 1 HETATM 5120 O O . HOH K 9 . ? -25.187 -23.012 3.744 1.00 15.01 ? 739 HOH H O 1 HETATM 5121 O O . HOH K 9 . ? -24.704 9.850 26.377 1.00 21.04 ? 740 HOH H O 1 HETATM 5122 O O . HOH K 9 . ? -0.241 -14.182 14.396 1.00 12.35 ? 741 HOH H O 1 HETATM 5123 O O . HOH K 9 . ? -29.968 -22.601 12.240 1.00 17.48 ? 742 HOH H O 1 HETATM 5124 O O . HOH K 9 . ? -20.766 1.132 9.606 1.00 15.55 ? 743 HOH H O 1 HETATM 5125 O O . HOH K 9 . ? -10.313 -29.030 2.376 1.00 20.30 ? 744 HOH H O 1 HETATM 5126 O O . HOH K 9 . ? 1.022 -18.232 14.946 1.00 16.30 ? 745 HOH H O 1 HETATM 5127 O O . HOH K 9 . ? -9.798 -7.187 10.297 1.00 8.89 ? 746 HOH H O 1 HETATM 5128 O O . HOH K 9 . ? -30.223 -5.529 3.872 1.00 18.62 ? 747 HOH H O 1 HETATM 5129 O O . HOH K 9 . ? -26.278 -2.523 -3.343 1.00 21.29 ? 748 HOH H O 1 HETATM 5130 O O . HOH K 9 . ? -4.541 -2.196 30.491 1.00 21.34 ? 749 HOH H O 1 HETATM 5131 O O . HOH K 9 . ? -24.181 -16.874 11.571 1.00 8.77 ? 750 HOH H O 1 HETATM 5132 O O . HOH K 9 . ? -22.143 -18.425 12.719 1.00 8.98 ? 751 HOH H O 1 HETATM 5133 O O . HOH K 9 . ? -6.889 -0.525 16.904 1.00 13.08 ? 752 HOH H O 1 HETATM 5134 O O . HOH K 9 . ? -10.406 -20.161 -1.675 1.00 11.26 ? 753 HOH H O 1 HETATM 5135 O O . HOH K 9 . ? -5.346 -1.022 14.455 1.00 13.31 ? 754 HOH H O 1 HETATM 5136 O O . HOH K 9 . ? -13.751 -26.631 8.928 1.00 11.09 ? 755 HOH H O 1 HETATM 5137 O O . HOH K 9 . ? -8.177 -21.141 8.369 1.00 11.30 ? 756 HOH H O 1 HETATM 5138 O O . HOH K 9 . ? -14.993 -26.152 11.341 1.00 14.96 ? 757 HOH H O 1 HETATM 5139 O O . HOH K 9 . ? -2.238 -14.855 3.774 1.00 12.64 ? 758 HOH H O 1 HETATM 5140 O O . HOH K 9 . ? -6.466 -26.125 5.707 1.00 15.26 ? 759 HOH H O 1 HETATM 5141 O O . HOH K 9 . ? -7.786 -23.560 9.723 1.00 15.43 ? 760 HOH H O 1 HETATM 5142 O O . HOH K 9 . ? -11.522 -22.557 17.241 1.00 16.24 ? 761 HOH H O 1 HETATM 5143 O O . HOH K 9 . ? -7.833 8.049 20.261 1.00 16.72 ? 762 HOH H O 1 HETATM 5144 O O . HOH K 9 . ? -30.414 -20.328 8.698 1.00 17.83 ? 763 HOH H O 1 HETATM 5145 O O . HOH K 9 . ? -9.951 -23.773 11.097 1.00 14.70 ? 764 HOH H O 1 HETATM 5146 O O . HOH K 9 . ? -30.815 -19.631 2.032 1.00 15.78 ? 765 HOH H O 1 HETATM 5147 O O . HOH K 9 . ? -29.070 -21.648 4.892 1.00 17.98 ? 766 HOH H O 1 HETATM 5148 O O . HOH K 9 . ? 1.728 -19.649 5.379 1.00 20.73 ? 767 HOH H O 1 HETATM 5149 O O . HOH K 9 . ? -2.542 -25.053 3.507 1.00 18.80 ? 768 HOH H O 1 HETATM 5150 O O . HOH K 9 . ? -8.843 -3.338 -2.672 1.00 18.72 ? 769 HOH H O 1 HETATM 5151 O O . HOH K 9 . ? -24.041 -25.554 21.393 1.00 21.17 ? 770 HOH H O 1 HETATM 5152 O O . HOH K 9 . ? -6.744 -16.356 -3.280 1.00 22.53 ? 771 HOH H O 1 HETATM 5153 O O . HOH K 9 . ? -27.241 -29.996 13.691 1.00 18.06 ? 772 HOH H O 1 HETATM 5154 O O . HOH K 9 . ? -17.239 -31.643 12.723 1.00 22.85 ? 773 HOH H O 1 HETATM 5155 O O . HOH K 9 . ? 5.090 -9.553 13.078 1.00 26.07 ? 774 HOH H O 1 HETATM 5156 O O . HOH K 9 . ? -28.103 -3.059 0.484 1.00 22.11 ? 775 HOH H O 1 HETATM 5157 O O . HOH K 9 . ? -34.090 -7.819 17.837 1.00 26.71 ? 776 HOH H O 1 HETATM 5158 O O . HOH K 9 . ? -11.793 -30.351 4.302 1.00 20.06 ? 777 HOH H O 1 HETATM 5159 O O . HOH K 9 . ? -5.652 11.375 16.657 1.00 25.63 ? 778 HOH H O 1 HETATM 5160 O O . HOH K 9 . ? -17.193 -8.751 34.968 1.00 21.72 ? 779 HOH H O 1 HETATM 5161 O O . HOH K 9 . ? -11.020 9.397 12.550 1.00 19.73 ? 780 HOH H O 1 HETATM 5162 O O . HOH K 9 . ? 2.335 -4.561 24.198 1.00 23.95 ? 781 HOH H O 1 HETATM 5163 O O . HOH K 9 . ? -31.748 -17.235 20.520 1.00 24.56 ? 782 HOH H O 1 HETATM 5164 O O . HOH K 9 . ? 0.787 3.837 10.976 1.00 23.14 ? 783 HOH H O 1 HETATM 5165 O O . HOH K 9 . ? -0.030 -10.838 8.311 1.00 24.73 ? 784 HOH H O 1 HETATM 5166 O O . HOH K 9 . ? -34.215 -3.478 8.566 1.00 24.46 ? 785 HOH H O 1 HETATM 5167 O O . HOH K 9 . ? -17.937 -11.361 34.723 1.00 32.79 ? 786 HOH H O 1 HETATM 5168 O O . HOH K 9 . ? -2.833 -23.756 15.641 1.00 20.92 ? 787 HOH H O 1 HETATM 5169 O O . HOH K 9 . ? -3.683 -25.993 6.043 1.00 18.21 ? 788 HOH H O 1 HETATM 5170 O O . HOH K 9 . ? -8.848 -0.641 -3.716 1.00 24.85 ? 789 HOH H O 1 HETATM 5171 O O . HOH K 9 . ? 5.154 -4.367 15.759 1.00 25.95 ? 790 HOH H O 1 HETATM 5172 O O . HOH K 9 . ? -33.113 -0.825 24.629 1.00 30.63 ? 791 HOH H O 1 HETATM 5173 O O . HOH K 9 . ? -6.604 3.362 -1.323 1.00 20.95 ? 792 HOH H O 1 HETATM 5174 O O . HOH K 9 . ? -16.940 -14.146 25.991 1.00 20.93 ? 793 HOH H O 1 HETATM 5175 O O . HOH K 9 . ? -16.872 -29.930 16.908 1.00 32.93 ? 794 HOH H O 1 HETATM 5176 O O . HOH K 9 . ? -12.407 -24.917 11.864 1.00 16.98 ? 795 HOH H O 1 HETATM 5177 O O . HOH K 9 . ? 0.717 -6.966 25.636 1.00 26.01 ? 796 HOH H O 1 HETATM 5178 O O . HOH K 9 . ? -20.903 -0.136 33.177 1.00 23.14 ? 797 HOH H O 1 HETATM 5179 O O . HOH K 9 . ? -31.141 -9.122 23.139 1.00 21.87 ? 798 HOH H O 1 HETATM 5180 O O . HOH K 9 . ? -10.823 -20.860 -4.293 1.00 19.80 ? 799 HOH H O 1 HETATM 5181 O O . HOH K 9 . ? -6.758 -24.852 -4.677 1.00 31.73 ? 800 HOH H O 1 HETATM 5182 O O . HOH K 9 . ? -25.708 -10.974 26.976 1.00 27.58 ? 801 HOH H O 1 HETATM 5183 O O . HOH K 9 . ? 3.776 -3.170 13.687 1.00 24.51 ? 802 HOH H O 1 HETATM 5184 O O . HOH K 9 . ? 2.881 -22.954 4.720 1.00 23.15 ? 803 HOH H O 1 HETATM 5185 O O . HOH K 9 . ? -14.257 -15.338 25.845 1.00 19.48 ? 804 HOH H O 1 HETATM 5186 O O . HOH K 9 . ? -31.915 -25.054 17.960 1.00 24.60 ? 805 HOH H O 1 HETATM 5187 O O . HOH K 9 . ? -18.605 -7.686 -9.514 1.00 32.93 ? 806 HOH H O 1 HETATM 5188 O O . HOH K 9 . ? 3.078 1.625 8.909 1.00 28.57 ? 807 HOH H O 1 HETATM 5189 O O . HOH K 9 . ? 4.098 -2.731 17.568 1.00 28.60 ? 808 HOH H O 1 HETATM 5190 O O . HOH K 9 . ? -5.966 10.111 20.474 1.00 32.66 ? 809 HOH H O 1 HETATM 5191 O O . HOH K 9 . ? -8.192 6.540 27.743 1.00 32.79 ? 810 HOH H O 1 HETATM 5192 O O . HOH K 9 . ? -15.446 12.333 16.158 1.00 30.07 ? 811 HOH H O 1 HETATM 5193 O O . HOH K 9 . ? 3.184 0.317 5.405 1.00 31.22 ? 812 HOH H O 1 HETATM 5194 O O . HOH K 9 . ? -14.390 9.757 23.200 1.00 26.74 ? 813 HOH H O 1 HETATM 5195 O O . HOH K 9 . ? -22.549 -7.127 -7.692 1.00 26.59 ? 814 HOH H O 1 HETATM 5196 O O . HOH K 9 . ? -24.407 0.535 6.219 1.00 23.50 ? 815 HOH H O 1 HETATM 5197 O O . HOH K 9 . ? -7.809 -19.354 -2.757 1.00 17.57 ? 816 HOH H O 1 HETATM 5198 O O . HOH K 9 . ? 3.195 0.821 12.572 1.00 29.20 ? 817 HOH H O 1 HETATM 5199 O O . HOH K 9 . ? -32.896 -20.313 15.731 1.00 34.19 ? 818 HOH H O 1 HETATM 5200 O O . HOH K 9 . ? -20.956 7.830 13.646 1.00 28.43 ? 819 HOH H O 1 HETATM 5201 O O . HOH K 9 . ? -31.788 -6.590 24.192 1.00 26.67 ? 820 HOH H O 1 HETATM 5202 O O . HOH K 9 . ? -18.961 -18.521 24.290 1.00 23.04 ? 821 HOH H O 1 HETATM 5203 O O . HOH K 9 . ? -12.228 -31.745 7.586 1.00 28.19 ? 822 HOH H O 1 HETATM 5204 O O . HOH K 9 . ? -22.678 0.718 2.875 1.00 28.83 ? 823 HOH H O 1 HETATM 5205 O O . HOH K 9 . ? -6.797 -31.791 10.384 1.00 29.31 ? 824 HOH H O 1 HETATM 5206 O O . HOH K 9 . ? -10.310 9.466 20.737 1.00 29.08 ? 825 HOH H O 1 HETATM 5207 O O . HOH K 9 . ? -33.088 -2.949 6.128 1.00 40.21 ? 826 HOH H O 1 HETATM 5208 O O . HOH K 9 . ? -9.600 -31.906 8.201 1.00 30.48 ? 827 HOH H O 1 HETATM 5209 O O A HOH K 9 . ? -0.627 -0.734 31.651 0.55 21.21 ? 828 HOH H O 1 HETATM 5210 O O B HOH K 9 . ? 0.103 0.166 31.041 0.45 21.57 ? 828 HOH H O 1 HETATM 5211 O O . HOH K 9 . ? -21.870 -14.779 32.392 1.00 36.51 ? 829 HOH H O 1 HETATM 5212 O O . HOH K 9 . ? -29.942 6.356 23.416 1.00 33.01 ? 830 HOH H O 1 HETATM 5213 O O . HOH K 9 . ? -9.759 -31.848 12.931 1.00 30.60 ? 831 HOH H O 1 HETATM 5214 O O . HOH K 9 . ? -6.909 -4.625 34.308 1.00 39.57 ? 832 HOH H O 1 HETATM 5215 O O . HOH K 9 . ? 0.771 -14.212 2.705 1.00 33.62 ? 833 HOH H O 1 HETATM 5216 O O . HOH K 9 . ? 1.031 5.440 27.545 1.00 30.97 ? 834 HOH H O 1 HETATM 5217 O O . HOH K 9 . ? -36.874 -0.907 13.533 1.00 26.02 ? 835 HOH H O 1 HETATM 5218 O O . HOH K 9 . ? 1.273 0.550 23.159 1.00 30.02 ? 836 HOH H O 1 HETATM 5219 O O . HOH K 9 . ? -26.176 -4.660 33.544 1.00 27.87 ? 837 HOH H O 1 HETATM 5220 O O . HOH K 9 . ? 3.305 -20.888 7.208 1.00 39.48 ? 838 HOH H O 1 HETATM 5221 O O . HOH K 9 . ? -32.931 -10.988 21.524 1.00 31.62 ? 839 HOH H O 1 HETATM 5222 O O . HOH K 9 . ? -5.019 -20.937 -4.921 1.00 27.19 ? 840 HOH H O 1 HETATM 5223 O O . HOH K 9 . ? -22.408 -12.523 34.143 1.00 40.81 ? 841 HOH H O 1 HETATM 5224 O O . HOH K 9 . ? -6.792 -11.275 29.206 1.00 32.63 ? 842 HOH H O 1 HETATM 5225 O O . HOH K 9 . ? -30.898 -3.778 -2.551 1.00 37.17 ? 843 HOH H O 1 HETATM 5226 O O . HOH K 9 . ? -8.675 -27.562 -4.420 1.00 34.14 ? 844 HOH H O 1 HETATM 5227 O O . HOH K 9 . ? -7.230 -15.611 24.006 1.00 31.00 ? 845 HOH H O 1 HETATM 5228 O O . HOH K 9 . ? -7.646 11.804 12.664 1.00 37.92 ? 846 HOH H O 1 HETATM 5229 O O . HOH K 9 . ? -30.876 -14.843 21.283 1.00 26.98 ? 847 HOH H O 1 HETATM 5230 O O . HOH K 9 . ? 3.176 -15.898 12.428 1.00 29.75 ? 848 HOH H O 1 HETATM 5231 O O . HOH K 9 . ? -9.989 11.955 20.982 1.00 35.72 ? 849 HOH H O 1 HETATM 5232 O O . HOH K 9 . ? -14.585 6.351 -1.061 1.00 26.23 ? 850 HOH H O 1 HETATM 5233 O O . HOH K 9 . ? -21.094 -13.472 -3.922 1.00 20.76 ? 851 HOH H O 1 HETATM 5234 O O . HOH K 9 . ? -19.096 -16.638 -6.761 1.00 29.09 ? 852 HOH H O 1 HETATM 5235 O O . HOH K 9 . ? -23.256 -0.944 31.800 1.00 31.27 ? 853 HOH H O 1 HETATM 5236 O O . HOH K 9 . ? -33.965 -23.265 22.058 1.00 38.46 ? 854 HOH H O 1 HETATM 5237 O O . HOH K 9 . ? -5.806 -7.432 28.174 1.00 31.89 ? 855 HOH H O 1 HETATM 5238 O O . HOH K 9 . ? -22.280 -0.546 -4.060 1.00 36.95 ? 856 HOH H O 1 HETATM 5239 O O . HOH K 9 . ? -24.084 -16.175 33.878 1.00 45.58 ? 857 HOH H O 1 HETATM 5240 O O . HOH K 9 . ? -0.611 -23.801 13.175 1.00 29.46 ? 858 HOH H O 1 HETATM 5241 O O . HOH K 9 . ? -24.117 -27.613 19.818 1.00 32.58 ? 859 HOH H O 1 HETATM 5242 O O . HOH K 9 . ? -32.712 -20.824 18.380 1.00 36.39 ? 860 HOH H O 1 HETATM 5243 O O . HOH K 9 . ? -21.075 -11.660 -8.196 1.00 46.15 ? 861 HOH H O 1 HETATM 5244 O O . HOH K 9 . ? -14.274 -21.651 -7.086 1.00 34.56 ? 862 HOH H O 1 HETATM 5245 O O . HOH K 9 . ? -15.598 -18.779 27.743 1.00 31.09 ? 863 HOH H O 1 HETATM 5246 O O . HOH K 9 . ? -25.368 8.865 23.917 1.00 37.76 ? 864 HOH H O 1 HETATM 5247 O O . HOH K 9 . ? 2.479 -11.578 24.903 1.00 37.24 ? 865 HOH H O 1 HETATM 5248 O O A HOH K 9 . ? -19.778 -26.279 22.741 0.54 28.25 ? 866 HOH H O 1 HETATM 5249 O O B HOH K 9 . ? -20.879 -27.019 23.678 0.46 27.53 ? 866 HOH H O 1 HETATM 5250 O O . HOH K 9 . ? -8.715 -8.695 37.838 1.00 32.15 ? 867 HOH H O 1 HETATM 5251 O O . HOH K 9 . ? -16.700 6.924 -2.729 1.00 25.09 ? 868 HOH H O 1 HETATM 5252 O O . HOH K 9 . ? 2.143 -15.721 14.863 1.00 22.37 ? 869 HOH H O 1 HETATM 5253 O O . HOH K 9 . ? -23.313 -24.304 -2.562 1.00 27.04 ? 870 HOH H O 1 HETATM 5254 O O . HOH K 9 . ? -7.711 -23.104 20.893 1.00 31.58 ? 871 HOH H O 1 HETATM 5255 O O . HOH K 9 . ? -26.864 4.919 30.374 1.00 30.36 ? 872 HOH H O 1 HETATM 5256 O O . HOH K 9 . ? -5.785 -18.199 -2.047 1.00 21.86 ? 873 HOH H O 1 HETATM 5257 O O . HOH K 9 . ? -22.320 -13.024 -1.538 1.00 28.02 ? 874 HOH H O 1 HETATM 5258 O O . HOH K 9 . ? -22.925 -25.961 -0.545 1.00 25.05 ? 875 HOH H O 1 HETATM 5259 O O . HOH K 9 . ? -13.711 -30.843 0.175 1.00 25.26 ? 876 HOH H O 1 HETATM 5260 O O . HOH K 9 . ? -3.322 -29.823 11.061 1.00 23.46 ? 877 HOH H O 1 HETATM 5261 O O . HOH K 9 . ? -3.730 -27.341 15.356 0.73 21.63 ? 878 HOH H O 1 HETATM 5262 O O . HOH K 9 . ? -13.111 -33.044 11.448 1.00 39.76 ? 879 HOH H O 1 HETATM 5263 O O . HOH K 9 . ? -31.189 -19.926 4.701 1.00 25.30 ? 880 HOH H O 1 HETATM 5264 O O . HOH K 9 . ? -6.757 8.400 25.063 1.00 38.16 ? 881 HOH H O 1 HETATM 5265 O O . HOH K 9 . ? -3.060 -0.832 15.961 1.00 33.81 ? 882 HOH H O 1 HETATM 5266 O O . HOH K 9 . ? -7.951 5.741 -1.210 1.00 38.21 ? 883 HOH H O 1 HETATM 5267 O O . HOH K 9 . ? 5.196 -10.783 16.359 1.00 39.27 ? 884 HOH H O 1 HETATM 5268 O O . HOH K 9 . ? -30.404 9.071 16.691 1.00 36.14 ? 885 HOH H O 1 HETATM 5269 O O . HOH K 9 . ? -23.427 -9.812 36.788 1.00 40.48 ? 886 HOH H O 1 HETATM 5270 O O . HOH K 9 . ? -22.734 -17.886 -4.832 1.00 41.58 ? 887 HOH H O 1 HETATM 5271 O O . HOH K 9 . ? -24.168 -29.545 6.593 1.00 25.42 ? 888 HOH H O 1 HETATM 5272 O O . HOH K 9 . ? -26.826 -31.845 9.081 1.00 32.88 ? 889 HOH H O 1 HETATM 5273 O O A HOH K 9 . ? -25.287 -27.551 23.068 0.63 22.61 ? 890 HOH H O 1 HETATM 5274 O O B HOH K 9 . ? -26.871 -27.883 22.798 0.37 29.33 ? 890 HOH H O 1 HETATM 5275 O O . HOH K 9 . ? -26.955 -31.867 11.791 1.00 29.52 ? 891 HOH H O 1 HETATM 5276 O O . HOH K 9 . ? -37.739 -13.447 15.628 1.00 40.78 ? 892 HOH H O 1 HETATM 5277 O O . HOH K 9 . ? -16.323 -29.194 -3.870 1.00 38.86 ? 893 HOH H O 1 HETATM 5278 O O . HOH K 9 . ? -17.605 -27.038 21.526 1.00 34.17 ? 894 HOH H O 1 HETATM 5279 O O . HOH K 9 . ? -35.700 -12.346 13.561 1.00 35.97 ? 895 HOH H O 1 HETATM 5280 O O . HOH K 9 . ? -26.064 6.174 24.312 1.00 33.88 ? 896 HOH H O 1 HETATM 5281 O O . HOH K 9 . ? -12.543 8.485 21.446 1.00 30.71 ? 897 HOH H O 1 HETATM 5282 O O . HOH K 9 . ? -4.455 -18.360 -5.819 1.00 34.29 ? 898 HOH H O 1 HETATM 5283 O O . HOH K 9 . ? -29.600 -1.338 6.008 1.00 35.07 ? 899 HOH H O 1 HETATM 5284 O O . HOH K 9 . ? -30.763 -3.554 5.833 1.00 29.65 ? 900 HOH H O 1 HETATM 5285 O O . HOH K 9 . ? -33.922 -12.956 22.667 1.00 47.86 ? 901 HOH H O 1 HETATM 5286 O O . HOH K 9 . ? -31.411 -13.544 23.616 1.00 32.84 ? 902 HOH H O 1 HETATM 5287 O O . HOH K 9 . ? -35.256 -15.019 21.074 1.00 36.48 ? 903 HOH H O 1 HETATM 5288 O O . HOH K 9 . ? -1.935 -23.995 -4.873 1.00 21.31 ? 904 HOH H O 1 HETATM 5289 O O . HOH K 9 . ? -9.608 6.789 -2.718 1.00 35.93 ? 905 HOH H O 1 HETATM 5290 O O . HOH K 9 . ? -18.224 -17.817 -4.251 1.00 28.51 ? 906 HOH H O 1 HETATM 5291 O O . HOH K 9 . ? -13.769 -26.571 -5.256 1.00 44.89 ? 907 HOH H O 1 HETATM 5292 O O . HOH K 9 . ? 3.022 -12.061 18.523 1.00 35.26 ? 908 HOH H O 1 HETATM 5293 O O . HOH K 9 . ? -26.931 -12.368 33.175 1.00 44.65 ? 909 HOH H O 1 HETATM 5294 O O . HOH K 9 . ? -3.672 -1.290 32.940 1.00 34.47 ? 910 HOH H O 1 HETATM 5295 O O . HOH K 9 . ? -0.047 3.146 31.220 1.00 40.61 ? 911 HOH H O 1 HETATM 5296 O O . HOH K 9 . ? -30.473 -14.059 7.583 1.00 28.41 ? 912 HOH H O 1 HETATM 5297 O O . HOH K 9 . ? -25.847 0.802 10.056 1.00 41.84 ? 913 HOH H O 1 HETATM 5298 O O . HOH K 9 . ? -19.863 -31.582 -2.112 1.00 39.24 ? 914 HOH H O 1 HETATM 5299 O O . HOH K 9 . ? -16.535 -26.517 -4.493 1.00 28.61 ? 915 HOH H O 1 HETATM 5300 O O . HOH K 9 . ? -15.828 -33.908 12.867 1.00 38.97 ? 916 HOH H O 1 HETATM 5301 O O . HOH K 9 . ? -31.992 -13.869 5.601 1.00 38.90 ? 917 HOH H O 1 HETATM 5302 O O . HOH K 9 . ? -31.471 6.979 20.728 1.00 32.80 ? 918 HOH H O 1 HETATM 5303 O O . HOH K 9 . ? -8.763 -31.258 2.774 1.00 38.42 ? 919 HOH H O 1 HETATM 5304 O O . HOH K 9 . ? -28.375 -1.555 -1.671 1.00 38.21 ? 920 HOH H O 1 HETATM 5305 O O . HOH K 9 . ? 4.308 -23.096 6.890 1.00 39.69 ? 921 HOH H O 1 HETATM 5306 O O . HOH K 9 . ? -19.156 12.037 23.182 1.00 43.83 ? 922 HOH H O 1 HETATM 5307 O O . HOH K 9 . ? -21.333 -15.615 -5.575 1.00 43.71 ? 923 HOH H O 1 HETATM 5308 O O . HOH K 9 . ? -5.388 -4.931 30.135 1.00 33.17 ? 924 HOH H O 1 HETATM 5309 O O . HOH K 9 . ? -22.739 -28.650 -1.104 1.00 38.11 ? 925 HOH H O 1 HETATM 5310 O O . HOH K 9 . ? -17.788 -25.069 -5.796 1.00 32.74 ? 926 HOH H O 1 HETATM 5311 O O . HOH K 9 . ? -17.948 -19.598 2.290 1.00 13.62 ? 927 HOH H O 1 HETATM 5312 O O . HOH K 9 . ? -22.124 -14.989 0.249 1.00 17.23 ? 928 HOH H O 1 HETATM 5313 O O . HOH K 9 . ? -19.406 -17.920 0.633 1.00 25.62 ? 929 HOH H O 1 HETATM 5314 O O . HOH K 9 . ? -22.255 -19.360 -0.841 1.00 19.49 ? 930 HOH H O 1 HETATM 5315 O O A HOH K 9 . ? 3.436 -11.873 15.055 0.54 20.28 ? 931 HOH H O 1 HETATM 5316 O O B HOH K 9 . ? 3.116 -12.921 15.811 0.46 19.59 ? 931 HOH H O 1 HETATM 5317 O O A HOH K 9 . ? -3.395 1.361 16.368 0.58 16.21 ? 932 HOH H O 1 HETATM 5318 O O B HOH K 9 . ? -4.038 1.805 17.728 0.42 15.70 ? 932 HOH H O 1 HETATM 5319 O O . HOH K 9 . ? -24.757 5.369 15.030 1.00 28.79 ? 933 HOH H O 1 HETATM 5320 O O . HOH K 9 . ? -21.988 -16.900 1.117 1.00 22.28 ? 934 HOH H O 1 HETATM 5321 O O . HOH K 9 . ? -19.771 -21.693 3.886 1.00 23.75 ? 935 HOH H O 1 HETATM 5322 O O . HOH K 9 . ? -19.469 -20.434 -2.192 1.00 23.04 ? 936 HOH H O 1 HETATM 5323 O O . HOH K 9 . ? -24.876 -1.247 -7.310 1.00 37.45 ? 937 HOH H O 1 HETATM 5324 O O . HOH K 9 . ? -18.001 -19.083 -1.461 1.00 33.97 ? 938 HOH H O 1 HETATM 5325 O O . HOH K 9 . ? -25.378 -25.218 0.546 1.00 43.56 ? 939 HOH H O 1 HETATM 5326 O O . HOH K 9 . ? 4.178 -25.014 8.115 1.00 38.11 ? 940 HOH H O 1 HETATM 5327 O O . HOH K 9 . ? -36.727 -4.792 8.740 1.00 41.54 ? 941 HOH H O 1 HETATM 5328 O O . HOH K 9 . ? -21.050 4.874 10.652 1.00 32.78 ? 942 HOH H O 1 HETATM 5329 O O . HOH K 9 . ? -27.472 -1.648 2.506 1.00 34.81 ? 943 HOH H O 1 HETATM 5330 O O . HOH K 9 . ? 1.973 8.164 23.432 1.00 44.29 ? 944 HOH H O 1 HETATM 5331 O O . HOH K 9 . ? -31.174 1.718 26.349 1.00 40.71 ? 945 HOH H O 1 HETATM 5332 O O . HOH K 9 . ? -2.825 11.465 26.760 1.00 39.69 ? 946 HOH H O 1 HETATM 5333 O O . HOH K 9 . ? -24.271 -31.218 8.869 1.00 34.89 ? 947 HOH H O 1 HETATM 5334 O O . HOH K 9 . ? -16.506 -9.614 -8.538 1.00 34.26 ? 948 HOH H O 1 HETATM 5335 O O A HOH K 9 . ? -2.499 -33.114 8.149 0.56 37.32 ? 949 HOH H O 1 HETATM 5336 O O B HOH K 9 . ? -0.595 4.522 29.333 0.44 35.73 ? 949 HOH H O 1 HETATM 5337 O O . HOH K 9 . ? -20.521 -28.740 -5.757 1.00 35.23 ? 950 HOH H O 1 HETATM 5338 O O . HOH K 9 . ? -1.186 10.071 15.119 1.00 39.16 ? 951 HOH H O 1 HETATM 5339 O O . HOH K 9 . ? -10.191 12.884 18.528 1.00 38.41 ? 952 HOH H O 1 HETATM 5340 O O . HOH K 9 . ? -38.060 1.493 14.093 1.00 41.20 ? 953 HOH H O 1 HETATM 5341 O O . HOH K 9 . ? -32.391 -21.338 22.442 1.00 44.85 ? 954 HOH H O 1 HETATM 5342 O O . HOH K 9 . ? -5.726 -22.882 23.871 1.00 44.67 ? 955 HOH H O 1 HETATM 5343 O O . HOH K 9 . ? -23.718 5.663 10.508 1.00 42.28 ? 956 HOH H O 1 HETATM 5344 O O . HOH K 9 . ? -35.024 1.475 24.508 1.00 43.18 ? 957 HOH H O 1 HETATM 5345 O O . HOH K 9 . ? 0.742 9.724 13.435 1.00 48.35 ? 958 HOH H O 1 HETATM 5346 O O . HOH K 9 . ? -9.303 -25.189 20.246 1.00 44.52 ? 959 HOH H O 1 HETATM 5347 O O . HOH K 9 . ? 1.616 -4.746 29.765 1.00 38.74 ? 960 HOH H O 1 HETATM 5348 O O . HOH K 9 . ? -31.799 -18.178 23.536 1.00 47.47 ? 961 HOH H O 1 HETATM 5349 O O . HOH K 9 . ? -8.482 -13.760 27.715 1.00 38.52 ? 962 HOH H O 1 HETATM 5350 O O . HOH K 9 . ? -26.751 -14.515 35.067 1.00 46.05 ? 963 HOH H O 1 HETATM 5351 O O . HOH K 9 . ? 6.093 -0.422 5.572 1.00 46.31 ? 964 HOH H O 1 HETATM 5352 O O . HOH K 9 . ? -32.227 -7.922 20.133 1.00 44.26 ? 965 HOH H O 1 HETATM 5353 O O . HOH K 9 . ? 0.889 10.682 22.610 1.00 40.10 ? 966 HOH H O 1 HETATM 5354 O O . HOH K 9 . ? 2.881 -0.885 21.522 1.00 50.38 ? 967 HOH H O 1 HETATM 5355 O O . HOH K 9 . ? -35.096 -8.854 19.783 1.00 50.07 ? 968 HOH H O 1 HETATM 5356 O O . HOH K 9 . ? -21.144 -32.686 3.552 1.00 39.69 ? 969 HOH H O 1 HETATM 5357 O O . HOH K 9 . ? -28.727 -22.707 0.626 1.00 25.04 ? 970 HOH H O 1 HETATM 5358 O O . HOH K 9 . ? -2.657 -17.949 -7.229 1.00 33.60 ? 971 HOH H O 1 HETATM 5359 O O . HOH K 9 . ? -23.342 12.186 26.516 1.00 31.65 ? 972 HOH H O 1 HETATM 5360 O O . HOH K 9 . ? -30.539 1.618 23.896 1.00 42.93 ? 973 HOH H O 1 HETATM 5361 O O . HOH K 9 . ? -6.525 -30.858 -4.331 1.00 40.16 ? 974 HOH H O 1 HETATM 5362 O O . HOH K 9 . ? -29.713 -19.181 6.128 1.00 32.87 ? 975 HOH H O 1 HETATM 5363 O O . HOH K 9 . ? -18.114 12.907 19.884 1.00 46.44 ? 976 HOH H O 1 HETATM 5364 O O . HOH K 9 . ? -33.168 -4.843 4.430 1.00 38.75 ? 977 HOH H O 1 HETATM 5365 O O . HOH K 9 . ? -17.721 -5.802 -10.755 1.00 34.96 ? 978 HOH H O 1 HETATM 5366 O O . HOH K 9 . ? -6.410 0.403 -3.425 1.00 33.77 ? 979 HOH H O 1 HETATM 5367 O O . HOH K 9 . ? -25.039 -22.261 -2.159 1.00 34.60 ? 980 HOH H O 1 HETATM 5368 O O . HOH K 9 . ? -18.562 10.949 18.161 1.00 37.74 ? 981 HOH H O 1 HETATM 5369 O O . HOH K 9 . ? -21.383 -30.307 -7.915 1.00 49.35 ? 982 HOH H O 1 HETATM 5370 O O . HOH K 9 . ? -22.579 -33.434 7.496 1.00 46.98 ? 983 HOH H O 1 HETATM 5371 O O . HOH K 9 . ? -1.527 -19.753 21.767 1.00 41.06 ? 984 HOH H O 1 HETATM 5372 O O . HOH K 9 . ? 2.926 2.377 29.804 1.00 47.83 ? 985 HOH H O 1 HETATM 5373 O O . HOH K 9 . ? -19.557 0.896 -4.177 1.00 31.54 ? 986 HOH H O 1 HETATM 5374 O O . HOH K 9 . ? -35.279 -1.109 9.715 1.00 38.85 ? 987 HOH H O 1 HETATM 5375 O O . HOH K 9 . ? -22.929 -28.786 24.251 1.00 45.19 ? 988 HOH H O 1 HETATM 5376 O O . HOH K 9 . ? -34.799 -9.116 11.321 1.00 13.46 ? 989 HOH H O 1 HETATM 5377 O O . HOH K 9 . ? 2.307 -26.461 6.723 1.00 20.42 ? 990 HOH H O 1 HETATM 5378 O O . HOH K 9 . ? -25.784 -27.410 5.959 1.00 18.38 ? 991 HOH H O 1 HETATM 5379 O O . HOH K 9 . ? -35.614 -9.802 13.646 1.00 37.53 ? 992 HOH H O 1 HETATM 5380 O O . HOH K 9 . ? -20.227 -26.243 -6.706 1.00 47.45 ? 993 HOH H O 1 HETATM 5381 O O . HOH K 9 . ? -11.092 -27.904 -2.895 1.00 42.64 ? 994 HOH H O 1 HETATM 5382 O O A HOH K 9 . ? -2.850 -11.391 30.182 0.59 41.39 ? 995 HOH H O 1 HETATM 5383 O O B HOH K 9 . ? -3.610 -13.252 29.507 0.41 33.47 ? 995 HOH H O 1 HETATM 5384 O O . HOH K 9 . ? -10.860 -30.152 19.347 1.00 46.34 ? 996 HOH H O 1 HETATM 5385 O O A HOH K 9 . ? -1.665 -11.880 5.308 0.56 13.64 ? 997 HOH H O 1 HETATM 5386 O O B HOH K 9 . ? -1.411 -12.660 6.186 0.44 12.63 ? 997 HOH H O 1 HETATM 5387 O O . HOH K 9 . ? 5.121 -22.112 3.054 1.00 34.78 ? 998 HOH H O 1 HETATM 5388 O O . HOH K 9 . ? -13.725 -35.312 10.592 1.00 45.92 ? 999 HOH H O 1 HETATM 5389 O O . HOH K 9 . ? -22.492 -9.770 -8.837 1.00 45.32 ? 1000 HOH H O 1 HETATM 5390 O O . HOH K 9 . ? -11.975 -35.559 8.502 1.00 52.32 ? 1001 HOH H O 1 HETATM 5391 O O . HOH K 9 . ? -13.852 -34.164 7.426 1.00 47.87 ? 1002 HOH H O 1 HETATM 5392 O O . HOH K 9 . ? -18.771 5.055 -2.234 1.00 28.55 ? 1003 HOH H O 1 HETATM 5393 O O . HOH K 9 . ? -33.827 -12.606 6.724 1.00 47.79 ? 1004 HOH H O 1 HETATM 5394 O O . HOH K 9 . ? -16.894 8.897 24.889 1.00 36.03 ? 1005 HOH H O 1 HETATM 5395 O O . HOH K 9 . ? -20.376 -30.243 -0.047 1.00 36.03 ? 1006 HOH H O 1 HETATM 5396 O O . HOH K 9 . ? -23.425 -31.865 13.989 1.00 43.57 ? 1007 HOH H O 1 HETATM 5397 O O . HOH K 9 . ? 5.265 -7.801 18.692 1.00 37.59 ? 1008 HOH H O 1 HETATM 5398 O O . HOH K 9 . ? -5.565 -13.299 24.166 1.00 44.72 ? 1009 HOH H O 1 HETATM 5399 O O . HOH K 9 . ? -12.271 -31.068 17.023 1.00 43.79 ? 1010 HOH H O 1 HETATM 5400 O O . HOH K 9 . ? -16.007 -17.413 34.283 1.00 50.67 ? 1011 HOH H O 1 HETATM 5401 O O . HOH K 9 . ? 6.240 -9.850 20.144 1.00 46.09 ? 1012 HOH H O 1 HETATM 5402 O O . HOH K 9 . ? -31.784 5.644 14.346 1.00 43.27 ? 1013 HOH H O 1 HETATM 5403 O O . HOH K 9 . ? -7.021 -28.463 21.294 1.00 43.34 ? 1014 HOH H O 1 HETATM 5404 O O . HOH K 9 . ? -27.946 6.813 8.841 1.00 45.77 ? 1015 HOH H O 1 HETATM 5405 O O . HOH K 9 . ? 5.374 -5.465 20.984 1.00 44.99 ? 1016 HOH H O 1 HETATM 5406 O O . HOH K 9 . ? -35.011 -3.478 24.969 1.00 46.91 ? 1017 HOH H O 1 HETATM 5407 O O . HOH K 9 . ? 1.630 -25.588 4.236 1.00 19.95 ? 1018 HOH H O 1 HETATM 5408 O O . HOH K 9 . ? -31.929 -10.831 9.838 1.00 7.89 ? 1019 HOH H O 1 HETATM 5409 O O . HOH K 9 . ? -0.469 -26.566 4.123 1.00 38.45 ? 1020 HOH H O 1 HETATM 5410 O O . HOH K 9 . ? -24.180 1.927 11.464 1.00 41.74 ? 1021 HOH H O 1 HETATM 5411 O O . HOH K 9 . ? -14.108 -34.971 4.715 1.00 50.75 ? 1022 HOH H O 1 HETATM 5412 O O . HOH K 9 . ? -5.579 -5.959 32.616 1.00 46.83 ? 1023 HOH H O 1 HETATM 5413 O O . HOH K 9 . ? -32.057 -15.718 25.123 1.00 47.05 ? 1024 HOH H O 1 HETATM 5414 O O . HOH K 9 . ? -19.313 -32.557 15.176 1.00 46.89 ? 1025 HOH H O 1 HETATM 5415 O O . HOH K 9 . ? -24.476 -17.947 -1.246 1.00 26.41 ? 1026 HOH H O 1 HETATM 5416 O O . HOH K 9 . ? -18.896 -30.430 -4.439 1.00 38.83 ? 1027 HOH H O 1 HETATM 5417 O O . HOH K 9 . ? -6.255 -32.206 5.094 1.00 38.42 ? 1028 HOH H O 1 HETATM 5418 O O . HOH K 9 . ? 3.738 -17.983 21.943 1.00 47.85 ? 1029 HOH H O 1 HETATM 5419 O O . HOH K 9 . ? -19.882 6.885 11.663 1.00 43.65 ? 1030 HOH H O 1 HETATM 5420 O O . HOH K 9 . ? 3.931 -14.611 22.826 1.00 49.18 ? 1031 HOH H O 1 HETATM 5421 O O . HOH K 9 . ? 4.059 -18.472 18.520 1.00 49.54 ? 1032 HOH H O 1 HETATM 5422 O O . HOH K 9 . ? 3.855 -3.057 22.931 1.00 49.37 ? 1033 HOH H O 1 HETATM 5423 O O . HOH K 9 . ? 1.248 -13.403 8.142 1.00 40.02 ? 1034 HOH H O 1 HETATM 5424 O O . HOH K 9 . ? -27.998 3.893 8.464 1.00 49.45 ? 1035 HOH H O 1 HETATM 5425 O O . HOH K 9 . ? -5.600 11.305 27.413 1.00 49.42 ? 1036 HOH H O 1 HETATM 5426 O O . HOH K 9 . ? -8.607 -32.706 4.810 1.00 51.50 ? 1037 HOH H O 1 HETATM 5427 O O . HOH K 9 . ? -11.518 15.368 18.777 1.00 50.17 ? 1038 HOH H O 1 HETATM 5428 O O . HOH K 9 . ? -18.043 14.788 27.259 1.00 46.57 ? 1039 HOH H O 1 HETATM 5429 O O . HOH K 9 . ? -14.878 -16.538 28.543 1.00 49.98 ? 1040 HOH H O 1 HETATM 5430 O O . HOH K 9 . ? 2.613 -19.480 20.658 1.00 48.82 ? 1041 HOH H O 1 HETATM 5431 O O . HOH K 9 . ? -11.730 12.469 13.334 1.00 46.53 ? 1042 HOH H O 1 HETATM 5432 O O . HOH K 9 . ? -19.188 -29.744 18.126 1.00 49.23 ? 1043 HOH H O 1 HETATM 5433 O O . HOH K 9 . ? -37.436 -10.210 19.843 1.00 49.26 ? 1044 HOH H O 1 HETATM 5434 O O . HOH K 9 . ? -37.140 2.883 21.036 1.00 50.82 ? 1045 HOH H O 1 HETATM 5435 O O . HOH K 9 . ? -12.773 -32.148 14.103 1.00 52.14 ? 1046 HOH H O 1 HETATM 5436 O O . HOH K 9 . ? -29.620 -6.588 28.173 1.00 45.97 ? 1047 HOH H O 1 HETATM 5437 O O . HOH K 9 . ? -0.654 -16.914 5.066 1.00 23.73 ? 1048 HOH H O 1 HETATM 5438 O O . HOH K 9 . ? -30.717 -9.110 6.404 1.00 30.81 ? 1049 HOH H O 1 HETATM 5439 O O . HOH K 9 . ? -24.716 -0.566 -4.481 1.00 43.28 ? 1050 HOH H O 1 HETATM 5440 O O . HOH K 9 . ? -3.184 2.290 18.946 1.00 25.70 ? 1051 HOH H O 1 HETATM 5441 O O . HOH K 9 . ? -0.584 -16.594 6.904 1.00 23.07 ? 1052 HOH H O 1 HETATM 5442 O O . HOH K 9 . ? 3.032 -15.865 0.540 1.00 23.29 ? 1053 HOH H O 1 HETATM 5443 O O . HOH K 9 . ? -19.132 -8.382 36.824 1.00 37.44 ? 1054 HOH H O 1 HETATM 5444 O O . HOH K 9 . ? -5.440 -11.254 26.719 1.00 39.84 ? 1055 HOH H O 1 HETATM 5445 O O . HOH K 9 . ? -2.493 -26.807 13.137 1.00 37.00 ? 1056 HOH H O 1 HETATM 5446 O O . HOH K 9 . ? -17.474 -7.587 40.779 1.00 47.88 ? 1057 HOH H O 1 HETATM 5447 O O . HOH K 9 . ? 1.755 -9.567 26.146 1.00 42.85 ? 1058 HOH H O 1 HETATM 5448 O O . HOH K 9 . ? -23.603 -0.731 34.264 1.00 44.56 ? 1059 HOH H O 1 HETATM 5449 O O . HOH K 9 . ? -36.178 -8.491 15.619 1.00 43.74 ? 1060 HOH H O 1 HETATM 5450 O O . HOH K 9 . ? -3.390 12.119 10.863 1.00 38.71 ? 1061 HOH H O 1 HETATM 5451 O O . HOH K 9 . ? -0.027 -14.913 5.202 1.00 33.39 ? 1062 HOH H O 1 HETATM 5452 O O . HOH K 9 . ? -32.096 7.964 15.013 1.00 44.54 ? 1063 HOH H O 1 HETATM 5453 O O . HOH K 9 . ? -24.389 6.612 12.567 1.00 42.60 ? 1064 HOH H O 1 HETATM 5454 O O . HOH K 9 . ? -11.740 -15.991 34.145 1.00 44.60 ? 1065 HOH H O 1 HETATM 5455 O O . HOH K 9 . ? -19.208 -27.579 25.462 1.00 44.88 ? 1066 HOH H O 1 HETATM 5456 O O . HOH K 9 . ? -11.797 13.241 22.714 1.00 47.54 ? 1067 HOH H O 1 HETATM 5457 O O . HOH K 9 . ? -0.734 2.206 20.748 1.00 43.19 ? 1068 HOH H O 1 HETATM 5458 O O . HOH K 9 . ? -24.754 -29.185 17.792 1.00 43.23 ? 1069 HOH H O 1 HETATM 5459 O O . HOH K 9 . ? -29.774 -8.060 25.955 1.00 43.73 ? 1070 HOH H O 1 HETATM 5460 O O . HOH K 9 . ? -35.524 -19.316 14.989 1.00 45.00 ? 1071 HOH H O 1 HETATM 5461 O O . HOH K 9 . ? -11.304 -23.496 -6.361 1.00 42.71 ? 1072 HOH H O 1 HETATM 5462 O O . HOH K 9 . ? -34.420 -3.019 27.795 1.00 48.09 ? 1073 HOH H O 1 HETATM 5463 O O . HOH K 9 . ? -21.448 -21.701 36.239 1.00 49.81 ? 1074 HOH H O 1 HETATM 5464 O O . HOH K 9 . ? 1.099 -15.024 26.539 1.00 43.77 ? 1075 HOH H O 1 HETATM 5465 O O . HOH K 9 . ? -9.309 -21.305 -5.949 1.00 36.02 ? 1076 HOH H O 1 HETATM 5466 O O . HOH K 9 . ? 4.741 -13.033 13.553 1.00 47.59 ? 1077 HOH H O 1 HETATM 5467 O O . HOH K 9 . ? -31.955 -17.183 2.357 1.00 17.21 ? 1078 HOH H O 1 HETATM 5468 O O . HOH K 9 . ? -8.856 -21.503 0.052 1.00 9.95 ? 1079 HOH H O 1 HETATM 5469 O O . HOH K 9 . ? -10.734 -9.946 17.072 1.00 7.94 ? 1080 HOH H O 1 HETATM 5470 O O . HOH K 9 . ? -9.903 -21.737 19.552 1.00 27.05 ? 1081 HOH H O 1 HETATM 5471 O O . HOH K 9 . ? -31.411 -19.900 0.295 1.00 54.07 ? 1082 HOH H O 1 HETATM 5472 O O . HOH L 9 . ? -13.522 -23.337 18.706 0.58 12.96 ? 101 HOH I O 1 HETATM 5473 O O . HOH L 9 . ? -15.110 -24.310 21.074 1.00 21.85 ? 102 HOH I O 1 HETATM 5474 O O . HOH L 9 . ? -15.419 -28.427 18.493 1.00 22.70 ? 103 HOH I O 1 HETATM 5475 O O . HOH L 9 . ? -9.891 -16.710 24.709 1.00 26.49 ? 104 HOH I O 1 HETATM 5476 O O . HOH L 9 . ? -12.976 -20.145 25.583 1.00 34.79 ? 105 HOH I O 1 HETATM 5477 O O . HOH L 9 . ? -12.265 -22.074 21.022 1.00 26.95 ? 106 HOH I O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ALA A 1 ? 0.5728 0.3830 0.5282 -0.0241 -0.0468 -0.0143 291 ALA L N 2 C CA . ALA A 1 ? 0.5691 0.4007 0.5216 0.0064 -0.0399 -0.0150 291 ALA L CA 3 C C . ALA A 1 ? 0.5105 0.3252 0.4687 0.0385 -0.0410 0.0036 291 ALA L C 4 O O . ALA A 1 ? 0.4827 0.3001 0.4410 0.1153 -0.0229 -0.0038 291 ALA L O 5 C CB . ALA A 1 ? 0.5883 0.4495 0.5374 0.0411 -0.0348 -0.0203 291 ALA L CB 10 N N . ASP A 2 ? 0.4766 0.2091 0.4276 -0.0110 -0.0763 0.0040 292 ASP L N 11 C CA . ASP A 2 ? 0.4605 0.1987 0.3760 -0.0439 -0.0849 0.0020 292 ASP L CA 12 C C . ASP A 2 ? 0.3511 0.1675 0.2626 -0.0390 -0.0479 0.0197 292 ASP L C 13 O O . ASP A 2 ? 0.3782 0.1800 0.2437 -0.0675 -0.0537 0.0091 292 ASP L O 14 C CB . ASP A 2 ? 0.5283 0.2618 0.4290 -0.0697 -0.0928 -0.0090 292 ASP L CB 15 C CG . ASP A 2 ? 0.5973 0.3821 0.4571 -0.0523 -0.0903 -0.0116 292 ASP L CG 16 O OD1 . ASP A 2 ? 0.6378 0.4125 0.4712 -0.0396 -0.1094 0.0076 292 ASP L OD1 17 O OD2 . ASP A 2 ? 0.6270 0.4434 0.4633 -0.0413 -0.0793 -0.0262 292 ASP L OD2 22 N N . CYS A 3 ? 0.1986 0.1268 0.2053 0.0168 0.0082 -0.0103 293 CYS L N 23 C CA . CYS A 3 ? 0.1687 0.1093 0.1677 0.0054 0.0108 0.0203 293 CYS L CA 24 C C . CYS A 3 ? 0.1602 0.0916 0.1338 -0.0132 -0.0056 0.0030 293 CYS L C 25 O O . CYS A 3 ? 0.1735 0.0947 0.1490 -0.0026 -0.0017 0.0167 293 CYS L O 26 C CB . CYS A 3 ? 0.1497 0.1227 0.2037 0.0140 0.0071 -0.0179 293 CYS L CB 27 S SG . CYS A 3 ? 0.1816 0.1297 0.2360 0.0054 -0.0269 0.0087 293 CYS L SG 32 N N . GLY A 4 ? 0.1542 0.0881 0.1201 -0.0137 -0.0047 0.0017 294 GLY L N 33 C CA . GLY A 4 ? 0.1498 0.0690 0.1112 -0.0320 0.0032 -0.0132 294 GLY L CA 34 C C . GLY A 4 ? 0.1431 0.0883 0.1343 -0.0143 -0.0219 -0.0134 294 GLY L C 35 O O . GLY A 4 ? 0.1532 0.1022 0.1180 -0.0257 0.0086 -0.0069 294 GLY L O 39 N N . LEU A 5 ? 0.1372 0.1100 0.1794 -0.0340 0.0039 -0.0332 295 LEU L N 40 C CA . LEU A 5 ? 0.1676 0.0937 0.1733 -0.0289 0.0048 -0.0058 295 LEU L CA 41 C C . LEU A 5 ? 0.1705 0.1082 0.1737 -0.0468 0.0015 -0.0063 295 LEU L C 42 O O . LEU A 5 ? 0.2054 0.1402 0.1885 -0.0272 -0.0004 -0.0394 295 LEU L O 43 C CB . LEU A 5 ? 0.2465 0.1247 0.2292 -0.0516 -0.0103 0.0103 295 LEU L CB 44 C CG . LEU A 5 ? 0.2514 0.1644 0.2570 -0.0301 -0.0041 0.0369 295 LEU L CG 45 C CD1 . LEU A 5 ? 0.3187 0.1838 0.2872 -0.0192 -0.0478 0.0631 295 LEU L CD1 46 C CD2 . LEU A 5 ? 0.2085 0.2323 0.2538 -0.0377 0.0108 0.0451 295 LEU L CD2 58 N N . ARG A 6 ? 0.1597 0.1094 0.1631 -0.0401 0.0016 -0.0040 296 ARG L N 59 C CA . ARG A 6 ? 0.1848 0.1133 0.1502 -0.0531 0.0092 -0.0105 296 ARG L CA 60 C C . ARG A 6 ? 0.1795 0.1072 0.1537 -0.0536 -0.0032 0.0033 296 ARG L C 61 O O . ARG A 6 ? 0.1928 0.1154 0.1838 -0.0573 0.0261 0.0088 296 ARG L O 62 C CB . ARG A 6 ? 0.1383 0.1099 0.1408 -0.0296 -0.0022 -0.0058 296 ARG L CB 63 C CG . ARG A 6 ? 0.1279 0.1152 0.1316 -0.0362 0.0006 0.0012 296 ARG L CG 64 C CD . ARG A 6 ? 0.1131 0.1065 0.1348 -0.0182 0.0140 -0.0051 296 ARG L CD 65 N NE . ARG A 6 ? 0.1043 0.1140 0.1282 -0.0414 0.0234 -0.0070 296 ARG L NE 66 C CZ . ARG A 6 ? 0.0907 0.1379 0.1197 -0.0460 0.0200 0.0041 296 ARG L CZ 67 N NH1 . ARG A 6 ? 0.1125 0.1212 0.1314 -0.0418 0.0254 -0.0022 296 ARG L NH1 68 N NH2 . ARG A 6 ? 0.1273 0.1312 0.1181 -0.0485 0.0026 -0.0073 296 ARG L NH2 82 N N . PRO A 7 ? 0.1740 0.1202 0.1628 -0.0564 0.0170 -0.0317 297 PRO L N 83 C CA . PRO A 7 ? 0.2314 0.1332 0.1873 -0.0480 0.0172 -0.0313 297 PRO L CA 84 C C . PRO A 7 ? 0.2168 0.1325 0.2077 -0.0671 0.0076 -0.0108 297 PRO L C 85 O O . PRO A 7 ? 0.2221 0.1522 0.2576 -0.0888 0.0204 -0.0172 297 PRO L O 86 C CB . PRO A 7 ? 0.2268 0.1562 0.2056 -0.0586 0.0093 -0.0640 297 PRO L CB 87 C CG . PRO A 7 ? 0.2200 0.1766 0.1949 -0.0532 0.0255 -0.0592 297 PRO L CG 88 C CD . PRO A 7 ? 0.1915 0.1457 0.1623 -0.0279 -0.0119 -0.0453 297 PRO L CD 96 N N . LEU A 8 ? 0.2119 0.1458 0.2013 -0.0877 0.0044 -0.0241 298 LEU L N 97 C CA . LEU A 8 ? 0.2092 0.1582 0.2294 -0.0972 -0.0081 -0.0279 298 LEU L CA 98 C C . LEU A 8 ? 0.1694 0.1534 0.2518 -0.0828 0.0072 -0.0298 298 LEU L C 99 O O . LEU A 8 ? 0.1693 0.1798 0.2858 -0.0917 0.0218 -0.0265 298 LEU L O 100 C CB . LEU A 8 ? 0.2040 0.1819 0.2433 -0.0846 -0.0013 -0.0328 298 LEU L CB 101 C CG . LEU A 8 ? 0.2464 0.1852 0.2425 -0.0955 -0.0247 -0.0344 298 LEU L CG 102 C CD1 . LEU A 8 ? 0.3071 0.1778 0.2502 -0.0786 -0.0237 -0.0259 298 LEU L CD1 103 C CD2 . LEU A 8 ? 0.2795 0.2004 0.2668 -0.0998 -0.0045 -0.0486 298 LEU L CD2 115 N N . PHE A 9 ? 0.1803 0.1256 0.2196 -0.0797 0.0092 -0.0101 299 PHE L N 116 C CA . PHE A 9 ? 0.1673 0.1245 0.2016 -0.0637 0.0395 -0.0086 299 PHE L CA 117 C C . PHE A 9 ? 0.2122 0.1192 0.2012 -0.0696 0.0490 0.0081 299 PHE L C 118 O O . PHE A 9 ? 0.2356 0.1489 0.2147 -0.0827 0.0685 0.0095 299 PHE L O 119 C CB . PHE A 9 ? 0.1472 0.1314 0.1872 -0.0620 0.0373 -0.0210 299 PHE L CB 120 C CG . PHE A 9 ? 0.1408 0.1493 0.1984 -0.0701 0.0155 -0.0201 299 PHE L CG 121 C CD1 . PHE A 9 ? 0.1478 0.1309 0.2014 -0.0816 0.0082 -0.0078 299 PHE L CD1 122 C CD2 . PHE A 9 ? 0.1324 0.1398 0.2071 -0.0576 0.0245 -0.0113 299 PHE L CD2 123 C CE1 . PHE A 9 ? 0.1738 0.1786 0.2094 -0.0851 0.0132 0.0289 299 PHE L CE1 124 C CE2 . PHE A 9 ? 0.1538 0.1743 0.2394 -0.0440 0.0019 -0.0173 299 PHE L CE2 125 C CZ . PHE A 9 ? 0.1655 0.1877 0.2330 -0.0918 -0.0085 -0.0004 299 PHE L CZ 135 N N . GLU A 10 ? 0.2127 0.1280 0.1794 -0.0507 0.0389 0.0166 300 GLU L N 136 C CA . GLU A 10 ? 0.2234 0.1086 0.2099 -0.0121 0.0463 0.0380 300 GLU L CA 137 C C . GLU A 10 ? 0.2549 0.1239 0.2208 -0.0115 0.0621 0.0283 300 GLU L C 138 O O . GLU A 10 ? 0.3219 0.1374 0.2289 -0.0480 0.0690 0.0460 300 GLU L O 139 C CB . GLU A 10 ? 0.2233 0.1209 0.2146 -0.0237 0.0174 0.0258 300 GLU L CB 140 C CG . GLU A 10 ? 0.2053 0.1054 0.1916 -0.0158 0.0116 0.0355 300 GLU L CG 141 C CD . GLU A 10 ? 0.1816 0.1057 0.1525 -0.0375 0.0262 0.0006 300 GLU L CD 142 O OE1 . GLU A 10 ? 0.1937 0.1139 0.1487 -0.0309 0.0253 -0.0028 300 GLU L OE1 143 O OE2 . GLU A 10 ? 0.1554 0.1174 0.1399 -0.0363 0.0217 0.0168 300 GLU L OE2 150 N N . LYS A 11 ? 0.2571 0.1152 0.2341 -0.0311 0.0612 0.0143 301 LYS L N 151 C CA . LYS A 11 ? 0.3115 0.1110 0.2851 -0.0392 0.0620 0.0218 301 LYS L CA 152 C C . LYS A 11 ? 0.3345 0.1130 0.3152 -0.0430 0.0751 0.0124 301 LYS L C 153 O O . LYS A 11 ? 0.4015 0.1421 0.3668 -0.0597 0.0682 0.0454 301 LYS L O 154 C CB . LYS A 11 ? 0.3278 0.1026 0.3292 -0.0299 0.0580 -0.0148 301 LYS L CB 155 C CG . LYS A 11 ? 0.4172 0.1906 0.3988 -0.0575 0.0795 -0.0030 301 LYS L CG 156 C CD . LYS A 11 ? 0.5090 0.3106 0.4745 -0.0714 0.0758 -0.0068 301 LYS L CD 157 C CE . LYS A 11 ? 0.5464 0.3260 0.4757 -0.0874 0.0959 -0.0168 301 LYS L CE 158 N NZ . LYS A 11 ? 0.5742 0.2925 0.4736 -0.0795 0.1116 -0.0288 301 LYS L NZ 172 N N . LYS A 12 ? 0.3140 0.1447 0.3407 -0.0670 0.0863 0.0049 302 LYS L N 173 C CA . LYS A 12 ? 0.3107 0.1724 0.3599 -0.0979 0.0905 0.0082 302 LYS L CA 174 C C . LYS A 12 ? 0.3148 0.1837 0.3464 -0.0996 0.0833 0.0391 302 LYS L C 175 O O . LYS A 12 ? 0.3245 0.2186 0.3751 -0.1191 0.0915 0.0381 302 LYS L O 176 C CB . LYS A 12 ? 0.3124 0.2766 0.3933 -0.1553 0.0740 -0.0501 302 LYS L CB 177 C CG . LYS A 12 ? 0.3606 0.3483 0.4355 -0.1475 0.0536 -0.0497 302 LYS L CG 178 C CD . LYS A 12 ? 0.4034 0.3905 0.4836 -0.1531 0.0420 -0.0026 302 LYS L CD 179 C CE . LYS A 12 ? 0.4062 0.3948 0.5112 -0.1765 0.0201 -0.0012 302 LYS L CE 180 N NZ . LYS A 12 ? 0.3797 0.4023 0.5448 -0.1936 -0.0155 -0.0129 302 LYS L NZ 194 N N . SER A 13 ? 0.3249 0.1917 0.3258 -0.0839 0.1088 0.0461 303 SER L N 195 C CA . SER A 13 ? 0.3434 0.2429 0.2959 -0.0563 0.1320 0.0776 303 SER L CA 196 C C . SER A 13 ? 0.3137 0.2213 0.2975 -0.0760 0.1119 0.0500 303 SER L C 197 O O . SER A 13 ? 0.3633 0.2562 0.3000 -0.0747 0.1236 0.0614 303 SER L O 198 C CB . SER A 13 ? 0.4120 0.2859 0.3093 -0.0270 0.1266 0.1266 303 SER L CB 199 O OG . SER A 13 ? 0.4795 0.3387 0.3336 0.0064 0.0952 0.1517 303 SER L OG 205 N N . LEU A 14 ? 0.2473 0.1882 0.3016 -0.0912 0.0864 0.0290 304 LEU L N 206 C CA . LEU A 14 ? 0.2177 0.1849 0.3150 -0.0887 0.0873 -0.0001 304 LEU L CA 207 C C . LEU A 14 ? 0.2215 0.1702 0.2711 -0.0911 0.0793 -0.0024 304 LEU L C 208 O O . LEU A 14 ? 0.2132 0.1684 0.2643 -0.0929 0.0776 -0.0292 304 LEU L O 209 C CB . LEU A 14 ? 0.2228 0.1990 0.3493 -0.1040 0.0672 -0.0019 304 LEU L CB 210 C CG . LEU A 14 ? 0.2401 0.2343 0.3762 -0.1272 0.0567 -0.0035 304 LEU L CG 211 C CD1 . LEU A 14 ? 0.2538 0.2400 0.3878 -0.1245 0.0287 -0.0308 304 LEU L CD1 212 C CD2 . LEU A 14 ? 0.2448 0.2543 0.4037 -0.1182 0.0654 -0.0157 304 LEU L CD2 224 N N . GLU A 15 ? 0.1843 0.1652 0.2651 -0.0605 0.0612 0.0082 305 GLU L N 225 C CA . GLU A 15 ? 0.1886 0.1815 0.2400 -0.0436 0.0422 -0.0088 305 GLU L CA 226 C C . GLU A 15 ? 0.1350 0.1820 0.2464 -0.0481 0.0433 -0.0096 305 GLU L C 227 O O . GLU A 15 ? 0.1493 0.2068 0.2760 -0.0806 0.0326 0.0126 305 GLU L O 228 C CB . GLU A 15 ? 0.2848 0.2833 0.2496 -0.0102 0.0617 0.0076 305 GLU L CB 229 C CG . GLU A 15 ? 0.3983 0.3179 0.2798 -0.0168 0.0375 0.0118 305 GLU L CG 230 C CD . GLU A 15 ? 0.4918 0.3713 0.2826 -0.0157 0.0075 -0.0087 305 GLU L CD 231 O OE1 . GLU A 15 ? 0.5345 0.4183 0.3187 -0.0556 -0.0367 0.0131 305 GLU L OE1 232 O OE2 . GLU A 15 ? 0.5255 0.3902 0.2868 0.0372 0.0743 -0.0476 305 GLU L OE2 239 N N . ASP A 16 ? 0.1273 0.1735 0.2151 -0.0573 0.0428 -0.0163 306 ASP L N 240 C CA . ASP A 16 ? 0.1478 0.1817 0.2065 -0.0685 0.0191 -0.0254 306 ASP L CA 241 C C . ASP A 16 ? 0.1419 0.1871 0.2272 -0.0875 0.0149 0.0139 306 ASP L C 242 O O . ASP A 16 ? 0.1361 0.1652 0.2458 -0.0425 0.0402 -0.0041 306 ASP L O 243 C CB . ASP A 16 ? 0.1413 0.1785 0.1866 -0.0902 0.0267 -0.0067 306 ASP L CB 244 C CG . ASP A 16 ? 0.1338 0.1404 0.1673 -0.0467 0.0322 0.0048 306 ASP L CG 245 O OD1 . ASP A 16 ? 0.1364 0.1285 0.1820 -0.0514 0.0313 0.0071 306 ASP L OD1 246 O OD2 . ASP A 16 ? 0.1237 0.1637 0.1856 -0.0409 0.0219 -0.0050 306 ASP L OD2 251 N N . LYS A 17 ? 0.1288 0.1980 0.2883 -0.0620 -0.0123 0.0019 307 LYS L N 252 C CA A LYS A 17 ? 0.1718 0.2352 0.3492 -0.0542 -0.0309 0.0157 307 LYS L CA 253 C CA B LYS A 17 ? 0.1839 0.2402 0.3578 -0.0444 -0.0354 0.0097 307 LYS L CA 254 C C . LYS A 17 ? 0.1372 0.2058 0.3675 -0.0510 0.0021 0.0152 307 LYS L C 255 O O . LYS A 17 ? 0.1296 0.2057 0.4316 -0.0450 0.0049 0.0012 307 LYS L O 256 C CB A LYS A 17 ? 0.2046 0.2737 0.3591 -0.0743 -0.0392 0.0452 307 LYS L CB 257 C CB B LYS A 17 ? 0.2201 0.2769 0.3692 -0.0540 -0.0402 0.0326 307 LYS L CB 258 C CG A LYS A 17 ? 0.3110 0.3239 0.3668 -0.0501 -0.0127 0.0734 307 LYS L CG 259 C CG B LYS A 17 ? 0.3206 0.3350 0.3821 -0.0311 -0.0244 0.0504 307 LYS L CG 260 C CD A LYS A 17 ? 0.3462 0.3470 0.3477 -0.0496 0.0440 0.0953 307 LYS L CD 261 C CD B LYS A 17 ? 0.3178 0.3509 0.3576 -0.0348 0.0277 0.0595 307 LYS L CD 262 C CE A LYS A 17 ? 0.3727 0.3919 0.3505 -0.0380 0.0779 0.0844 307 LYS L CE 263 C CE B LYS A 17 ? 0.3050 0.4137 0.3716 -0.0177 0.0419 0.0233 307 LYS L CE 264 N NZ A LYS A 17 ? 0.3677 0.4047 0.3379 -0.0193 0.1051 0.0810 307 LYS L NZ 265 N NZ B LYS A 17 ? 0.2479 0.4461 0.3681 0.0147 0.0309 -0.0063 307 LYS L NZ 291 N N . THR A 18 ? 0.1087 0.1809 0.3118 -0.0399 -0.0008 0.0229 308 THR L N 292 C CA . THR A 18 ? 0.1062 0.1466 0.2801 -0.0346 -0.0102 0.0186 308 THR L CA 293 C C . THR A 18 ? 0.1184 0.1140 0.2033 -0.0230 0.0243 -0.0023 308 THR L C 294 O O . THR A 18 ? 0.1193 0.1223 0.2068 -0.0159 0.0204 -0.0030 308 THR L O 295 C CB . THR A 18 ? 0.1215 0.1472 0.2879 -0.0099 -0.0092 0.0135 308 THR L CB 296 O OG1 . THR A 18 ? 0.1368 0.1508 0.2604 -0.0205 -0.0032 0.0077 308 THR L OG1 297 C CG2 . THR A 18 ? 0.1761 0.1833 0.3193 -0.0169 -0.0359 0.0084 308 THR L CG2 305 N N . GLU A 19 ? 0.1099 0.1271 0.1833 -0.0252 0.0416 0.0008 309 GLU L N 306 C CA . GLU A 19 ? 0.1189 0.1197 0.1705 -0.0074 0.0277 -0.0132 309 GLU L CA 307 C C . GLU A 19 ? 0.1195 0.1359 0.1619 0.0074 0.0526 0.0043 309 GLU L C 308 O O . GLU A 19 ? 0.1271 0.1286 0.1571 0.0142 0.0356 -0.0047 309 GLU L O 309 C CB . GLU A 19 ? 0.1169 0.1186 0.1737 -0.0017 0.0312 -0.0158 309 GLU L CB 310 C CG . GLU A 19 ? 0.1362 0.1216 0.1951 -0.0246 0.0411 -0.0091 309 GLU L CG 311 C CD . GLU A 19 ? 0.1509 0.1369 0.1904 -0.0300 0.0415 -0.0042 309 GLU L CD 312 O OE1 . GLU A 19 ? 0.1452 0.1347 0.2053 -0.0300 0.0415 -0.0039 309 GLU L OE1 313 O OE2 . GLU A 19 ? 0.1709 0.1717 0.2104 -0.0088 0.0135 -0.0037 309 GLU L OE2 320 N N . ARG A 20 ? 0.1458 0.1187 0.1689 -0.0072 0.0532 -0.0211 310 ARG L N 321 C CA . ARG A 20 ? 0.1714 0.1269 0.2077 -0.0172 0.1002 -0.0083 310 ARG L CA 322 C C . ARG A 20 ? 0.1480 0.1355 0.1855 -0.0030 0.0891 -0.0230 310 ARG L C 323 O O . ARG A 20 ? 0.1480 0.1439 0.1612 -0.0037 0.0711 -0.0110 310 ARG L O 324 C CB . ARG A 20 ? 0.2707 0.1831 0.2699 -0.0600 0.1548 -0.0401 310 ARG L CB 325 C CG . ARG A 20 ? 0.3912 0.3118 0.3593 -0.1038 0.1520 0.0086 310 ARG L CG 326 C CD . ARG A 20 ? 0.5082 0.4137 0.3993 -0.1088 0.1890 0.0159 310 ARG L CD 327 N NE . ARG A 20 ? 0.6210 0.5007 0.4575 -0.0640 0.1764 0.0022 310 ARG L NE 328 C CZ . ARG A 20 ? 0.6966 0.5432 0.5039 -0.0522 0.1516 0.0104 310 ARG L CZ 329 N NH1 . ARG A 20 ? 0.7385 0.5647 0.5359 -0.0349 0.1234 0.0112 310 ARG L NH1 330 N NH2 . ARG A 20 ? 0.7028 0.5542 0.5042 -0.0307 0.1517 -0.0132 310 ARG L NH2 344 N N . GLU A 21 ? 0.1160 0.1180 0.2062 0.0062 0.0382 -0.0242 311 GLU L N 345 C CA . GLU A 21 ? 0.1262 0.1158 0.1919 0.0112 0.0278 -0.0235 311 GLU L CA 346 C C . GLU A 21 ? 0.0894 0.1273 0.1551 0.0011 0.0170 0.0064 311 GLU L C 347 O O . GLU A 21 ? 0.1155 0.1315 0.1357 0.0187 0.0164 -0.0039 311 GLU L O 348 C CB . GLU A 21 ? 0.1262 0.1381 0.2509 0.0109 0.0046 0.0080 311 GLU L CB 349 C CG . GLU A 21 ? 0.2073 0.1766 0.3202 0.0244 -0.0420 -0.0489 311 GLU L CG 350 C CD . GLU A 21 ? 0.2513 0.2293 0.3521 0.0311 -0.1049 -0.0541 311 GLU L CD 351 O OE1 . GLU A 21 ? 0.2039 0.2591 0.3989 0.0378 -0.0685 -0.0741 311 GLU L OE1 352 O OE2 . GLU A 21 ? 0.3123 0.1733 0.3196 0.0770 -0.1288 -0.0468 311 GLU L OE2 359 N N . LEU A 22 ? 0.1217 0.1179 0.1269 0.0137 0.0395 0.0091 312 LEU L N 360 C CA . LEU A 22 ? 0.1046 0.1051 0.1226 0.0171 0.0317 0.0109 312 LEU L CA 361 C C . LEU A 22 ? 0.1207 0.0897 0.1349 0.0284 0.0614 0.0072 312 LEU L C 362 O O . LEU A 22 ? 0.1215 0.1112 0.1245 0.0198 0.0475 0.0029 312 LEU L O 363 C CB . LEU A 22 ? 0.1132 0.1077 0.1232 0.0112 0.0409 0.0189 312 LEU L CB 364 C CG . LEU A 22 ? 0.1192 0.1360 0.1340 -0.0060 0.0258 0.0107 312 LEU L CG 365 C CD1 . LEU A 22 ? 0.1532 0.1753 0.1310 -0.0095 0.0282 -0.0249 312 LEU L CD1 366 C CD2 . LEU A 22 ? 0.1349 0.1276 0.1244 -0.0148 0.0118 0.0118 312 LEU L CD2 378 N N . LEU A 23 ? 0.1223 0.0926 0.1514 0.0120 0.0453 0.0096 313 LEU L N 379 C CA A LEU A 23 ? 0.1473 0.0963 0.1534 0.0438 0.0635 0.0168 313 LEU L CA 380 C CA B LEU A 23 ? 0.1749 0.1234 0.1626 0.0260 0.0499 0.0258 313 LEU L CA 381 C C . LEU A 23 ? 0.1423 0.1199 0.1416 0.0304 0.0532 0.0369 313 LEU L C 382 O O . LEU A 23 ? 0.1580 0.1557 0.1272 0.0383 0.0338 0.0237 313 LEU L O 383 C CB A LEU A 23 ? 0.2339 0.1039 0.1612 0.0443 0.0846 0.0463 313 LEU L CB 384 C CB B LEU A 23 ? 0.2753 0.1658 0.1925 0.0241 0.0455 0.0384 313 LEU L CB 385 C CG A LEU A 23 ? 0.3575 0.1611 0.1809 0.0469 0.0789 0.0485 313 LEU L CG 386 C CG B LEU A 23 ? 0.3730 0.2111 0.2216 0.0170 0.0350 0.0404 313 LEU L CG 387 C CD1 A LEU A 23 ? 0.4017 0.2540 0.1826 0.0628 -0.0073 0.0867 313 LEU L CD1 388 C CD1 B LEU A 23 ? 0.3951 0.2312 0.2342 0.0256 0.0293 0.0435 313 LEU L CD1 389 C CD2 A LEU A 23 ? 0.4298 0.2271 0.2170 -0.0024 0.0411 0.0637 313 LEU L CD2 390 C CD2 B LEU A 23 ? 0.4173 0.2325 0.2346 -0.0107 0.0277 0.0607 313 LEU L CD2 412 N N . GLU A 24 ? 0.1284 0.1188 0.1135 0.0283 0.0516 0.0090 314 GLU L N 413 C CA . GLU A 24 ? 0.1427 0.1355 0.1278 0.0160 0.0489 0.0071 314 GLU L CA 414 C C . GLU A 24 ? 0.1388 0.1168 0.1051 0.0364 0.0336 0.0007 314 GLU L C 415 O O . GLU A 24 ? 0.1455 0.1260 0.1320 0.0255 0.0494 0.0045 314 GLU L O 416 C CB . GLU A 24 ? 0.1499 0.1774 0.1691 0.0229 0.0529 -0.0393 314 GLU L CB 417 C CG . GLU A 24 ? 0.1561 0.2623 0.2102 -0.0138 0.0689 -0.0634 314 GLU L CG 418 C CD . GLU A 24 ? 0.2504 0.3737 0.3412 -0.0254 0.0185 -0.0822 314 GLU L CD 419 O OE1 . GLU A 24 ? 0.2634 0.4476 0.4579 0.0820 0.0019 -0.0925 314 GLU L OE1 420 O OE2 . GLU A 24 ? 0.2562 0.4717 0.3893 -0.0821 0.0122 -0.0855 314 GLU L OE2 427 N N . SER A 25 ? 0.1279 0.1117 0.1031 0.0193 0.0429 0.0211 315 SER L N 428 C CA . SER A 25 ? 0.1171 0.1151 0.1109 0.0353 0.0164 0.0133 315 SER L CA 429 C C . SER A 25 ? 0.1225 0.1112 0.0992 0.0324 0.0202 0.0024 315 SER L C 430 O O . SER A 25 ? 0.1434 0.1253 0.1213 0.0213 0.0067 -0.0106 315 SER L O 431 C CB . SER A 25 ? 0.1273 0.1248 0.1074 0.0092 0.0276 0.0161 315 SER L CB 432 O OG . SER A 25 ? 0.1174 0.1265 0.1008 0.0093 0.0208 0.0030 315 SER L OG 438 N N . TYR A 26 ? 0.1326 0.1215 0.0898 0.0243 0.0190 0.0003 316 TYR L N 439 C CA . TYR A 26 ? 0.1186 0.1531 0.1049 0.0367 0.0122 0.0065 316 TYR L CA 440 C C . TYR A 26 ? 0.1219 0.1741 0.1073 0.0292 0.0136 0.0042 316 TYR L C 441 O O . TYR A 26 ? 0.1803 0.2326 0.1466 0.0456 -0.0087 -0.0296 316 TYR L O 442 C CB . TYR A 26 ? 0.1465 0.1457 0.1246 0.0538 0.0122 0.0099 316 TYR L CB 443 C CG . TYR A 26 ? 0.1488 0.1088 0.1081 0.0478 0.0166 0.0048 316 TYR L CG 444 C CD1 . TYR A 26 ? 0.1697 0.1166 0.1060 0.0123 0.0243 0.0040 316 TYR L CD1 445 C CD2 . TYR A 26 ? 0.1576 0.1045 0.1234 0.0240 0.0258 -0.0049 316 TYR L CD2 446 C CE1 . TYR A 26 ? 0.1758 0.1215 0.1136 0.0073 0.0256 -0.0102 316 TYR L CE1 447 C CE2 . TYR A 26 ? 0.1386 0.1311 0.1262 0.0262 0.0042 -0.0066 316 TYR L CE2 448 C CZ . TYR A 26 ? 0.1191 0.1101 0.1095 0.0233 0.0376 0.0057 316 TYR L CZ 449 O OH . TYR A 26 ? 0.1348 0.1313 0.1133 0.0328 0.0048 -0.0009 316 TYR L OH 459 N N . ILE A 27 ? 0.1440 0.1868 0.1202 0.0296 0.0372 0.0116 317 ILE L N 460 C CA . ILE A 27 ? 0.1873 0.1877 0.1471 0.0606 0.0662 0.0166 317 ILE L CA 461 C C . ILE A 27 ? 0.1877 0.1940 0.1558 0.0478 0.0457 -0.0084 317 ILE L C 462 O O . ILE A 27 ? 0.2242 0.2847 0.1849 0.0079 0.0163 -0.0676 317 ILE L O 463 C CB . ILE A 27 ? 0.2404 0.2101 0.1604 0.0382 0.1081 0.0344 317 ILE L CB 464 C CG1 . ILE A 27 ? 0.3135 0.2345 0.2167 0.0057 0.1232 0.0513 317 ILE L CG1 465 C CG2 . ILE A 27 ? 0.2372 0.2926 0.1515 0.0462 0.0421 0.0093 317 ILE L CG2 466 C CD1 . ILE A 27 ? 0.4199 0.2752 0.2466 0.0187 0.1382 0.0523 317 ILE L CD1 478 N N . ASP A 28 ? 0.1849 0.1534 0.1731 0.0299 0.0596 -0.0109 318 ASP L N 479 C CA . ASP A 28 ? 0.1863 0.1367 0.2107 0.0316 0.0230 -0.0053 318 ASP L CA 480 C C . ASP A 28 ? 0.1983 0.1631 0.2112 0.0193 0.0567 -0.0422 318 ASP L C 481 O O . ASP A 28 ? 0.2611 0.1850 0.2108 0.0113 0.0525 -0.0540 318 ASP L O 482 C CB . ASP A 28 ? 0.1948 0.1623 0.2618 0.0571 0.0620 0.0189 318 ASP L CB 483 C CG . ASP A 28 ? 0.2164 0.1880 0.2831 0.0645 0.0416 0.0144 318 ASP L CG 484 O OD1 . ASP A 28 ? 0.2442 0.2222 0.2934 0.0585 0.0712 0.0211 318 ASP L OD1 485 O OD2 . ASP A 28 ? 0.1910 0.2679 0.3217 0.0235 -0.0025 0.0373 318 ASP L OD2 490 N N . GLY A 29 ? 0.1773 0.1579 0.2111 0.0117 0.0203 -0.0050 319 GLY L N 491 C CA . GLY A 29 ? 0.1894 0.1764 0.1922 -0.0222 0.0267 0.0149 319 GLY L CA 492 C C . GLY A 29 ? 0.2509 0.2414 0.1953 -0.0445 0.0647 -0.0293 319 GLY L C 493 O O . GLY A 29 ? 0.3090 0.2260 0.2021 -0.0551 0.0790 -0.0445 319 GLY L O 497 N N . ARG A 30 ? 0.2533 0.3322 0.1998 -0.0887 0.0465 -0.0290 320 ARG L N 498 C CA . ARG A 30 ? 0.2571 0.4291 0.2245 -0.0786 0.0453 -0.0526 320 ARG L CA 499 C C . ARG A 30 ? 0.3946 0.4921 0.2558 -0.0901 0.0092 -0.0434 320 ARG L C 500 O O . ARG A 30 ? 0.4388 0.5116 0.2623 -0.0842 0.0312 0.0107 320 ARG L O 501 C CB . ARG A 30 ? 0.2248 0.4524 0.2348 -0.0675 0.0257 -0.0405 320 ARG L CB 502 C CG . ARG A 30 ? 0.2476 0.4056 0.2477 -0.0103 0.0214 -0.0467 320 ARG L CG 503 C CD . ARG A 30 ? 0.2384 0.3634 0.2491 -0.0318 -0.0247 -0.0203 320 ARG L CD 504 N NE . ARG A 30 ? 0.2568 0.3386 0.2091 -0.0407 -0.0536 -0.0193 320 ARG L NE 505 C CZ . ARG A 30 ? 0.2912 0.3648 0.2003 -0.0751 -0.1050 -0.0175 320 ARG L CZ 506 N NH1 . ARG A 30 ? 0.3538 0.3241 0.1734 -0.0885 -0.1080 -0.0034 320 ARG L NH1 507 N NH2 . ARG A 30 ? 0.3482 0.4293 0.2356 -0.0721 -0.1049 -0.0114 320 ARG L NH2 508 O OXT . ARG A 30 ? 0.4508 0.5297 0.2743 -0.0930 -0.0203 -0.0756 320 ARG L OXT 522 N N . ILE B 1 ? 0.0983 0.1480 0.0987 0.0012 -0.0238 -0.0047 321 ILE H N 523 C CA . ILE B 1 ? 0.0894 0.1212 0.1319 0.0140 -0.0275 -0.0017 321 ILE H CA 524 C C . ILE B 1 ? 0.0864 0.1204 0.1496 0.0031 -0.0329 -0.0076 321 ILE H C 525 O O . ILE B 1 ? 0.0882 0.1478 0.1441 0.0068 -0.0369 -0.0001 321 ILE H O 526 C CB . ILE B 1 ? 0.0790 0.1527 0.1116 0.0132 -0.0116 0.0055 321 ILE H CB 527 C CG1 . ILE B 1 ? 0.0874 0.1453 0.1165 0.0162 -0.0261 0.0068 321 ILE H CG1 528 C CG2 . ILE B 1 ? 0.1077 0.1734 0.1104 0.0137 0.0002 0.0013 321 ILE H CG2 529 C CD1 . ILE B 1 ? 0.0955 0.1322 0.1210 0.0168 -0.0172 -0.0059 321 ILE H CD1 540 N N . VAL B 2 ? 0.0715 0.1314 0.1514 0.0304 -0.0182 -0.0307 322 VAL H N 541 C CA . VAL B 2 ? 0.1062 0.1577 0.1895 0.0240 -0.0245 -0.0365 322 VAL H CA 542 C C . VAL B 2 ? 0.0983 0.1539 0.1874 0.0301 -0.0058 -0.0542 322 VAL H C 543 O O . VAL B 2 ? 0.1037 0.1716 0.1736 0.0239 -0.0205 -0.0484 322 VAL H O 544 C CB . VAL B 2 ? 0.1267 0.1534 0.2088 0.0357 -0.0380 -0.0238 322 VAL H CB 545 C CG1 . VAL B 2 ? 0.1252 0.1626 0.2282 0.0327 -0.0543 -0.0301 322 VAL H CG1 546 C CG2 . VAL B 2 ? 0.1568 0.1663 0.2353 0.0195 -0.0256 0.0228 322 VAL H CG2 556 N N . GLU B 3 ? 0.0844 0.1746 0.2059 0.0360 -0.0076 -0.0353 323 GLU H N 557 C CA . GLU B 3 ? 0.1121 0.1917 0.2018 0.0332 -0.0030 -0.0589 323 GLU H CA 558 C C . GLU B 3 ? 0.0916 0.2281 0.1688 0.0386 0.0136 -0.0272 323 GLU H C 559 O O . GLU B 3 ? 0.1297 0.2718 0.1658 0.0339 0.0222 -0.0480 323 GLU H O 560 C CB . GLU B 3 ? 0.1358 0.2641 0.2687 0.0590 0.0108 -0.0468 323 GLU H CB 561 C CG . GLU B 3 ? 0.2280 0.3525 0.3827 0.0655 0.0312 -0.0281 323 GLU H CG 562 C CD . GLU B 3 ? 0.2282 0.4037 0.4739 0.1221 0.0141 0.0678 323 GLU H CD 563 O OE1 . GLU B 3 ? 0.2625 0.4441 0.5124 0.1473 0.0629 0.0840 323 GLU H OE1 564 O OE2 . GLU B 3 ? 0.2749 0.4546 0.5175 0.0958 0.0637 0.0876 323 GLU H OE2 571 N N . GLY B 4 ? 0.1105 0.1755 0.1456 0.0319 0.0059 -0.0116 324 GLY H N 572 C CA . GLY B 4 ? 0.0949 0.1915 0.1597 0.0190 -0.0098 -0.0073 324 GLY H CA 573 C C . GLY B 4 ? 0.0816 0.2119 0.1877 0.0378 -0.0250 -0.0287 324 GLY H C 574 O O . GLY B 4 ? 0.0849 0.2356 0.2457 0.0346 -0.0212 -0.0323 324 GLY H O 578 N N . SER B 5 ? 0.0734 0.1891 0.1784 0.0167 -0.0237 -0.0296 325 SER H N 579 C CA A SER B 5 ? 0.0965 0.2070 0.2068 0.0010 -0.0161 -0.0247 325 SER H CA 580 C CA B SER B 5 ? 0.1004 0.2065 0.1884 0.0010 -0.0057 -0.0283 325 SER H CA 581 C C . SER B 5 ? 0.0947 0.1869 0.1763 0.0009 -0.0228 -0.0302 325 SER H C 582 O O . SER B 5 ? 0.0694 0.2052 0.1580 0.0125 -0.0166 -0.0168 325 SER H O 583 C CB A SER B 5 ? 0.1199 0.2615 0.2214 0.0097 0.0043 -0.0275 325 SER H CB 584 C CB B SER B 5 ? 0.1296 0.2393 0.1984 -0.0102 0.0391 -0.0287 325 SER H CB 585 O OG A SER B 5 ? 0.1687 0.3004 0.2160 0.0114 0.0567 0.0022 325 SER H OG 586 O OG B SER B 5 ? 0.1514 0.2415 0.1874 -0.0221 0.0953 -0.0199 325 SER H OG 596 N N . ASP B 6 ? 0.0839 0.2274 0.2200 -0.0122 -0.0238 -0.0604 326 ASP H N 597 C CA . ASP B 6 ? 0.1147 0.2121 0.1869 -0.0307 -0.0273 -0.0438 326 ASP H CA 598 C C . ASP B 6 ? 0.1086 0.2008 0.1728 -0.0537 -0.0068 -0.0138 326 ASP H C 599 O O . ASP B 6 ? 0.1312 0.2584 0.1869 -0.0298 0.0199 -0.0159 326 ASP H O 600 C CB . ASP B 6 ? 0.1158 0.2406 0.1990 -0.0254 -0.0434 -0.0478 326 ASP H CB 601 C CG . ASP B 6 ? 0.1114 0.2705 0.2216 -0.0426 -0.0203 -0.0390 326 ASP H CG 602 O OD1 . ASP B 6 ? 0.1021 0.2932 0.2325 -0.0256 -0.0469 -0.0167 326 ASP H OD1 603 O OD2 . ASP B 6 ? 0.1365 0.3310 0.2652 -0.0594 -0.0569 0.0001 326 ASP H OD2 608 N N . ALA B 7 ? 0.1130 0.1912 0.1556 -0.0276 -0.0153 -0.0130 327 ALA H N 609 C CA . ALA B 7 ? 0.1226 0.2015 0.1576 -0.0482 0.0036 -0.0091 327 ALA H CA 610 C C . ALA B 7 ? 0.1444 0.2158 0.1361 -0.0186 -0.0259 -0.0220 327 ALA H C 611 O O . ALA B 7 ? 0.1358 0.2379 0.1571 -0.0333 -0.0186 -0.0226 327 ALA H O 612 C CB . ALA B 7 ? 0.1248 0.2089 0.1735 -0.0071 0.0080 0.0050 327 ALA H CB 618 N N . GLU B 8 ? 0.1561 0.2137 0.1569 -0.0607 -0.0348 -0.0103 328 GLU H N 619 C CA . GLU B 8 ? 0.1560 0.2405 0.1988 -0.0742 -0.0233 0.0056 328 GLU H CA 620 C C . GLU B 8 ? 0.1506 0.2043 0.2019 -0.0578 -0.0339 -0.0144 328 GLU H C 621 O O . GLU B 8 ? 0.1447 0.2080 0.2075 -0.0684 -0.0336 0.0109 328 GLU H O 622 C CB . GLU B 8 ? 0.1406 0.2490 0.2232 -0.0488 -0.0029 0.0337 328 GLU H CB 623 C CG . GLU B 8 ? 0.1340 0.3251 0.2786 -0.0577 0.0144 0.0065 328 GLU H CG 624 C CD . GLU B 8 ? 0.2317 0.3519 0.2948 -0.0877 0.0021 -0.0168 328 GLU H CD 625 O OE1 . GLU B 8 ? 0.3062 0.3516 0.2948 -0.0788 0.0101 -0.0113 328 GLU H OE1 626 O OE2 . GLU B 8 ? 0.2933 0.4030 0.3373 -0.1132 -0.0718 0.0038 328 GLU H OE2 633 N N . ILE B 9 ? 0.1653 0.2350 0.2279 -0.0573 -0.0373 -0.0294 329 ILE H N 634 C CA . ILE B 9 ? 0.1851 0.2567 0.2562 -0.0601 -0.0892 -0.0630 329 ILE H CA 635 C C . ILE B 9 ? 0.1699 0.2312 0.2430 -0.0810 -0.0665 -0.0504 329 ILE H C 636 O O . ILE B 9 ? 0.1917 0.2158 0.2755 -0.0776 -0.0370 -0.0338 329 ILE H O 637 C CB . ILE B 9 ? 0.2835 0.3052 0.3238 -0.0816 -0.1230 -0.0716 329 ILE H CB 638 C CG1 . ILE B 9 ? 0.3373 0.3527 0.3742 -0.1222 -0.1121 -0.0373 329 ILE H CG1 639 C CG2 . ILE B 9 ? 0.3416 0.3189 0.3334 -0.0985 -0.1322 -0.0881 329 ILE H CG2 640 C CD1 . ILE B 9 ? 0.3458 0.3612 0.4007 -0.1645 -0.0988 0.0220 329 ILE H CD1 652 N N . GLY B 10 ? 0.1452 0.2477 0.2244 -0.0563 -0.0364 -0.0662 330 GLY H N 653 C CA . GLY B 10 ? 0.1586 0.2225 0.2202 -0.0512 -0.0358 -0.0580 330 GLY H CA 654 C C . GLY B 10 ? 0.1396 0.1590 0.1887 -0.0504 -0.0078 -0.0417 330 GLY H C 655 O O . GLY B 10 ? 0.1298 0.1501 0.2033 -0.0527 -0.0039 -0.0073 330 GLY H O 659 N N . MET B 11 ? 0.1180 0.1509 0.1658 -0.0540 0.0180 -0.0199 331 MET H N 660 C CA . MET B 11 ? 0.1184 0.1701 0.1491 -0.0555 0.0139 -0.0225 331 MET H CA 661 C C . MET B 11 ? 0.1300 0.1378 0.1186 -0.0528 0.0081 0.0015 331 MET H C 662 O O . MET B 11 ? 0.1151 0.1203 0.1201 -0.0340 -0.0010 0.0058 331 MET H O 663 C CB . MET B 11 ? 0.1138 0.2139 0.1909 -0.0140 0.0048 -0.0592 331 MET H CB 664 C CG . MET B 11 ? 0.1983 0.2387 0.1957 -0.0100 -0.0168 -0.0350 331 MET H CG 665 S SD . MET B 11 ? 0.1706 0.2433 0.2359 0.0357 -0.0280 -0.0571 331 MET H SD 666 C CE . MET B 11 ? 0.2179 0.2204 0.2330 0.0108 0.0064 0.0098 331 MET H CE 676 N N . SER B 12 ? 0.1073 0.1273 0.1152 -0.0432 -0.0125 -0.0200 332 SER H N 677 C CA A SER B 12 ? 0.1128 0.1202 0.0939 -0.0213 -0.0115 0.0062 332 SER H CA 678 C CA B SER B 12 ? 0.1065 0.1225 0.1161 -0.0254 -0.0106 -0.0118 332 SER H CA 679 C C . SER B 12 ? 0.1224 0.1236 0.0901 -0.0362 -0.0197 -0.0122 332 SER H C 680 O O . SER B 12 ? 0.1032 0.1194 0.1101 -0.0239 -0.0075 0.0021 332 SER H O 681 C CB A SER B 12 ? 0.1075 0.1487 0.1017 -0.0113 -0.0067 0.0114 332 SER H CB 682 C CB B SER B 12 ? 0.0807 0.1098 0.1391 0.0015 0.0005 -0.0017 332 SER H CB 683 O OG A SER B 12 ? 0.1238 0.1649 0.1128 -0.0459 0.0019 -0.0262 332 SER H OG 684 O OG B SER B 12 ? 0.1018 0.0751 0.1489 -0.0007 -0.0057 0.0025 332 SER H OG 694 N N . PRO B 13 ? 0.1178 0.0984 0.1060 -0.0280 0.0044 -0.0143 333 PRO H N 695 C CA . PRO B 13 ? 0.1150 0.1008 0.1126 -0.0317 0.0121 -0.0201 333 PRO H CA 696 C C . PRO B 13 ? 0.1261 0.0883 0.0887 -0.0093 -0.0010 -0.0288 333 PRO H C 697 O O . PRO B 13 ? 0.1275 0.0942 0.1073 -0.0235 -0.0088 -0.0317 333 PRO H O 698 C CB . PRO B 13 ? 0.1115 0.1183 0.1237 -0.0397 0.0096 -0.0124 333 PRO H CB 699 C CG . PRO B 13 ? 0.1323 0.1030 0.1073 -0.0324 -0.0049 -0.0098 333 PRO H CG 700 C CD . PRO B 13 ? 0.1395 0.0979 0.1102 -0.0492 0.0095 -0.0105 333 PRO H CD 708 N N . TRP B 14 ? 0.1069 0.0836 0.1008 -0.0169 -0.0043 -0.0363 334 TRP H N 709 C CA . TRP B 14 ? 0.0790 0.0933 0.0873 -0.0179 -0.0007 -0.0188 334 TRP H CA 710 C C . TRP B 14 ? 0.0893 0.1014 0.0964 -0.0112 -0.0006 -0.0279 334 TRP H C 711 O O . TRP B 14 ? 0.0920 0.1175 0.0944 -0.0149 0.0080 0.0015 334 TRP H O 712 C CB . TRP B 14 ? 0.0911 0.0931 0.1036 -0.0001 -0.0084 -0.0127 334 TRP H CB 713 C CG . TRP B 14 ? 0.1013 0.0991 0.0857 -0.0147 -0.0090 -0.0181 334 TRP H CG 714 C CD1 . TRP B 14 ? 0.0944 0.1240 0.0945 -0.0304 0.0034 -0.0268 334 TRP H CD1 715 C CD2 . TRP B 14 ? 0.1064 0.1096 0.0870 -0.0273 -0.0027 -0.0243 334 TRP H CD2 716 N NE1 . TRP B 14 ? 0.1186 0.0954 0.1119 -0.0115 -0.0070 -0.0335 334 TRP H NE1 717 C CE2 . TRP B 14 ? 0.1091 0.1087 0.1057 -0.0373 -0.0040 -0.0214 334 TRP H CE2 718 C CE3 . TRP B 14 ? 0.0998 0.0997 0.1174 -0.0263 -0.0044 -0.0100 334 TRP H CE3 719 C CZ2 . TRP B 14 ? 0.1163 0.1344 0.1028 -0.0408 -0.0036 -0.0170 334 TRP H CZ2 720 C CZ3 . TRP B 14 ? 0.1154 0.1186 0.1240 -0.0542 -0.0111 0.0064 334 TRP H CZ3 721 C CH2 . TRP B 14 ? 0.1279 0.1368 0.1068 -0.0534 0.0011 -0.0047 334 TRP H CH2 732 N N . GLN B 15 ? 0.0921 0.1137 0.0900 -0.0194 0.0119 0.0009 335 GLN H N 733 C CA A GLN B 15 ? 0.0799 0.1191 0.1051 -0.0215 0.0038 0.0062 335 GLN H CA 734 C CA B GLN B 15 ? 0.1007 0.1216 0.0936 -0.0143 0.0080 0.0053 335 GLN H CA 735 C C . GLN B 15 ? 0.0949 0.1103 0.0898 -0.0179 0.0008 -0.0003 335 GLN H C 736 O O . GLN B 15 ? 0.1419 0.1344 0.1086 -0.0553 -0.0087 -0.0041 335 GLN H O 737 C CB A GLN B 15 ? 0.1030 0.1335 0.1131 -0.0147 0.0042 0.0210 335 GLN H CB 738 C CB B GLN B 15 ? 0.1168 0.1288 0.0868 -0.0223 -0.0101 0.0088 335 GLN H CB 739 C CG A GLN B 15 ? 0.0761 0.1370 0.0852 -0.0071 0.0067 -0.0070 335 GLN H CG 740 C CG B GLN B 15 ? 0.1163 0.1312 0.0678 -0.0409 -0.0068 0.0099 335 GLN H CG 741 C CD A GLN B 15 ? 0.1090 0.1050 0.0664 0.0095 -0.0168 -0.0197 335 GLN H CD 742 C CD B GLN B 15 ? 0.1155 0.1173 0.0613 -0.0429 0.0088 -0.0167 335 GLN H CD 743 O OE1 A GLN B 15 ? 0.1370 0.1293 0.0947 -0.0125 0.0088 -0.0170 335 GLN H OE1 744 O OE1 B GLN B 15 ? 0.1444 0.1249 0.0561 -0.0075 0.0030 -0.0167 335 GLN H OE1 745 N NE2 A GLN B 15 ? 0.1438 0.1065 0.0704 -0.0287 -0.0264 -0.0004 335 GLN H NE2 746 N NE2 B GLN B 15 ? 0.1272 0.1272 0.0407 -0.0289 0.0062 -0.0072 335 GLN H NE2 762 N N . VAL B 16 ? 0.1061 0.0978 0.0762 -0.0112 -0.0022 -0.0183 336 VAL H N 763 C CA . VAL B 16 ? 0.1179 0.0924 0.0752 -0.0114 -0.0090 -0.0170 336 VAL H CA 764 C C . VAL B 16 ? 0.0959 0.1038 0.0828 -0.0202 -0.0052 -0.0364 336 VAL H C 765 O O . VAL B 16 ? 0.1338 0.0998 0.0866 -0.0255 -0.0107 -0.0193 336 VAL H O 766 C CB . VAL B 16 ? 0.0989 0.1285 0.0869 0.0026 -0.0045 -0.0207 336 VAL H CB 767 C CG1 . VAL B 16 ? 0.1215 0.1545 0.0714 -0.0120 0.0010 -0.0421 336 VAL H CG1 768 C CG2 . VAL B 16 ? 0.1333 0.1310 0.0989 0.0068 -0.0063 -0.0309 336 VAL H CG2 778 N N . MET B 17 ? 0.1236 0.1241 0.0776 -0.0190 -0.0219 -0.0082 337 MET H N 779 C CA . MET B 17 ? 0.1257 0.1189 0.0716 0.0097 -0.0220 -0.0311 337 MET H CA 780 C C . MET B 17 ? 0.1378 0.1107 0.0855 -0.0041 -0.0135 -0.0256 337 MET H C 781 O O . MET B 17 ? 0.1636 0.1190 0.0964 -0.0032 0.0177 -0.0267 337 MET H O 782 C CB . MET B 17 ? 0.1662 0.1461 0.0947 0.0083 -0.0146 -0.0084 337 MET H CB 783 C CG . MET B 17 ? 0.1795 0.1744 0.1303 0.0124 -0.0035 -0.0113 337 MET H CG 784 S SD . MET B 17 ? 0.1699 0.2391 0.1248 0.0117 -0.0360 -0.0417 337 MET H SD 785 C CE . MET B 17 ? 0.1438 0.2637 0.1190 -0.0298 -0.0327 -0.0610 337 MET H CE 795 N N . LEU B 18 ? 0.1266 0.1189 0.0956 -0.0145 0.0004 -0.0301 338 LEU H N 796 C CA . LEU B 18 ? 0.1244 0.1584 0.1026 0.0010 0.0230 -0.0310 338 LEU H CA 797 C C . LEU B 18 ? 0.1492 0.1604 0.1046 0.0095 0.0096 -0.0242 338 LEU H C 798 O O . LEU B 18 ? 0.1731 0.1817 0.0989 0.0197 -0.0104 -0.0164 338 LEU H O 799 C CB . LEU B 18 ? 0.1261 0.1918 0.1169 -0.0095 0.0244 -0.0176 338 LEU H CB 800 C CG . LEU B 18 ? 0.1755 0.2590 0.1818 -0.0327 0.0288 -0.0590 338 LEU H CG 801 C CD1 . LEU B 18 ? 0.1903 0.2791 0.1882 -0.0090 0.0515 -0.0594 338 LEU H CD1 802 C CD2 . LEU B 18 ? 0.2108 0.2982 0.2378 -0.0717 0.0454 -0.0727 338 LEU H CD2 814 N N . PHE B 19 ? 0.1720 0.1730 0.0915 0.0027 -0.0090 -0.0140 339 PHE H N 815 C CA . PHE B 19 ? 0.2001 0.1881 0.1187 -0.0056 -0.0028 -0.0204 339 PHE H CA 816 C C . PHE B 19 ? 0.2323 0.2200 0.1097 0.0229 -0.0290 -0.0343 339 PHE H C 817 O O . PHE B 19 ? 0.2720 0.2179 0.1149 0.0437 0.0221 -0.0012 339 PHE H O 818 C CB . PHE B 19 ? 0.2217 0.2076 0.1345 0.0002 -0.0229 -0.0457 339 PHE H CB 819 C CG . PHE B 19 ? 0.2551 0.1955 0.1091 -0.0081 -0.0072 -0.0212 339 PHE H CG 820 C CD1 . PHE B 19 ? 0.2770 0.1945 0.1526 -0.0013 0.0044 -0.0301 339 PHE H CD1 821 C CD2 . PHE B 19 ? 0.2855 0.2456 0.1119 -0.0205 -0.0335 -0.0216 339 PHE H CD2 822 C CE1 . PHE B 19 ? 0.2670 0.2279 0.2003 -0.0319 -0.0050 0.0216 339 PHE H CE1 823 C CE2 . PHE B 19 ? 0.3231 0.2580 0.1536 0.0027 -0.0504 -0.0007 339 PHE H CE2 824 C CZ . PHE B 19 ? 0.2933 0.2460 0.1981 -0.0246 -0.0429 0.0225 339 PHE H CZ 834 N N . ARG B 20 ? 0.2120 0.2196 0.1068 0.0141 -0.0284 -0.0237 340 ARG H N 835 C CA . ARG B 20 ? 0.2061 0.2317 0.1252 -0.0346 -0.0163 -0.0466 340 ARG H CA 836 C C . ARG B 20 ? 0.1900 0.2438 0.0935 -0.0647 -0.0260 0.0062 340 ARG H C 837 O O . ARG B 20 ? 0.2054 0.2507 0.1226 -0.0426 -0.0268 0.0077 340 ARG H O 838 C CB . ARG B 20 ? 0.2185 0.2520 0.1663 -0.0226 -0.0195 -0.0201 340 ARG H CB 839 C CG . ARG B 20 ? 0.2787 0.2692 0.2341 -0.0543 -0.0086 0.0155 340 ARG H CG 840 C CD . ARG B 20 ? 0.4144 0.3681 0.3283 -0.0282 0.0145 0.0679 340 ARG H CD 841 N NE . ARG B 20 ? 0.5375 0.4059 0.3990 -0.0298 0.0067 0.0938 340 ARG H NE 842 C CZ . ARG B 20 ? 0.5945 0.4275 0.4510 -0.0945 0.0367 0.0597 340 ARG H CZ 843 N NH1 . ARG B 20 ? 0.6199 0.4862 0.4670 -0.0962 0.0291 0.0453 340 ARG H NH1 844 N NH2 . ARG B 20 ? 0.6059 0.4299 0.4890 -0.1016 0.0450 0.0563 340 ARG H NH2 858 N N . LYS B 21 ? 0.2405 0.2292 0.1058 -0.0689 0.0155 -0.0201 341 LYS H N 859 C CA . LYS B 21 ? 0.2591 0.2693 0.0963 -0.0534 -0.0180 -0.0422 341 LYS H CA 860 C C . LYS B 21 ? 0.3001 0.3139 0.1438 -0.0455 -0.0309 -0.0102 341 LYS H C 861 O O . LYS B 21 ? 0.3371 0.3419 0.1780 -0.0615 -0.1105 -0.0267 341 LYS H O 862 C CB . LYS B 21 ? 0.2474 0.2608 0.1023 -0.0701 -0.0105 -0.0434 341 LYS H CB 863 C CG . LYS B 21 ? 0.2436 0.2521 0.1147 -0.0490 0.0106 -0.0545 341 LYS H CG 864 C CD . LYS B 21 ? 0.2220 0.2783 0.1165 -0.0514 -0.0006 -0.0253 341 LYS H CD 865 C CE . LYS B 21 ? 0.2319 0.2749 0.1351 -0.0704 -0.0189 -0.0516 341 LYS H CE 866 N NZ . LYS B 21 ? 0.2115 0.3231 0.1533 -0.0614 0.0031 -0.0473 341 LYS H NZ 880 N N . SER B 22 ? 0.3421 0.3619 0.1428 -0.0622 -0.0309 0.0433 342 SER H N 881 C CA A SER B 22 ? 0.4136 0.4107 0.2059 -0.0520 -0.0224 0.0829 342 SER H CA 882 C CA B SER B 22 ? 0.4307 0.4308 0.1965 -0.0400 -0.0043 0.0900 342 SER H CA 883 C C . SER B 22 ? 0.4296 0.4064 0.2389 -0.0520 -0.0178 0.1327 342 SER H C 884 O O . SER B 22 ? 0.4347 0.4253 0.3087 -0.0743 -0.0056 0.1800 342 SER H O 885 C CB A SER B 22 ? 0.4521 0.4504 0.2370 -0.0501 -0.0208 0.0735 342 SER H CB 886 C CB B SER B 22 ? 0.5043 0.5020 0.2153 -0.0217 0.0257 0.0960 342 SER H CB 887 O OG A SER B 22 ? 0.4621 0.4730 0.2490 -0.0603 -0.0301 0.0697 342 SER H OG 888 O OG B SER B 22 ? 0.5495 0.5584 0.2062 -0.0238 0.0264 0.1155 342 SER H OG 898 N N . PRO B 23 ? 0.4518 0.3961 0.2700 -0.0577 -0.0072 0.1381 343 PRO H N 899 C CA . PRO B 23 ? 0.4742 0.3686 0.2505 -0.0376 -0.0468 0.1020 343 PRO H CA 900 C C . PRO B 23 ? 0.4157 0.3150 0.1833 -0.0407 -0.0525 0.0480 343 PRO H C 901 O O . PRO B 23 ? 0.3974 0.2964 0.1754 -0.0646 -0.0534 0.0203 343 PRO H O 902 C CB . PRO B 23 ? 0.4788 0.3942 0.3001 -0.0256 -0.0535 0.1033 343 PRO H CB 903 C CG . PRO B 23 ? 0.4814 0.4091 0.3458 -0.0262 -0.0393 0.1001 343 PRO H CG 904 C CD . PRO B 23 ? 0.4629 0.4121 0.3358 -0.0410 -0.0186 0.1193 343 PRO H CD 912 N N . GLN B 24 ? 0.3654 0.3121 0.1535 -0.0307 -0.0609 0.0351 344 GLN H N 913 C CA . GLN B 24 ? 0.3036 0.2976 0.1366 -0.0059 -0.0765 -0.0150 344 GLN H CA 914 C C . GLN B 24 ? 0.3216 0.3514 0.1625 0.0423 -0.1072 -0.0270 344 GLN H C 915 O O . GLN B 24 ? 0.3531 0.4437 0.2159 0.0957 -0.1286 -0.0062 344 GLN H O 916 C CB . GLN B 24 ? 0.2938 0.3029 0.1719 -0.0166 -0.0780 -0.0172 344 GLN H CB 917 C CG . GLN B 24 ? 0.3207 0.3129 0.1919 -0.0031 -0.0532 -0.0634 344 GLN H CG 918 C CD . GLN B 24 ? 0.2895 0.3101 0.2363 0.0212 -0.0135 -0.0933 344 GLN H CD 919 O OE1 . GLN B 24 ? 0.3425 0.3237 0.2567 -0.0082 0.0313 -0.0900 344 GLN H OE1 920 N NE2 . GLN B 24 ? 0.1927 0.2867 0.2266 0.0509 0.0040 -0.1250 344 GLN H NE2 929 N N . GLU B 25 ? 0.3213 0.3310 0.1103 0.0067 -0.0539 -0.0126 345 GLU H N 930 C CA . GLU B 25 ? 0.3323 0.3225 0.1396 0.0265 -0.0872 0.0114 345 GLU H CA 931 C C . GLU B 25 ? 0.2311 0.2698 0.1396 -0.0084 -0.0463 0.0061 345 GLU H C 932 O O . GLU B 25 ? 0.2564 0.2236 0.1260 -0.0041 -0.0410 -0.0118 345 GLU H O 933 C CB . GLU B 25 ? 0.4116 0.3456 0.2161 0.0236 -0.0931 0.0254 345 GLU H CB 934 C CG . GLU B 25 ? 0.4051 0.3532 0.2831 0.0057 -0.0793 0.0848 345 GLU H CG 935 C CD . GLU B 25 ? 0.4592 0.3760 0.3627 0.0223 -0.0845 0.0962 345 GLU H CD 936 O OE1 . GLU B 25 ? 0.5228 0.4121 0.4298 0.0229 -0.0612 0.0827 345 GLU H OE1 937 O OE2 . GLU B 25 ? 0.4603 0.3309 0.3715 -0.0203 -0.0664 0.0976 345 GLU H OE2 944 N N . LEU B 26 ? 0.1858 0.2801 0.1590 -0.0111 -0.0496 -0.0027 346 LEU H N 945 C CA A LEU B 26 ? 0.1873 0.2421 0.1482 -0.0151 -0.0503 0.0169 346 LEU H CA 946 C CA B LEU B 26 ? 0.1667 0.2335 0.1571 -0.0077 -0.0131 0.0114 346 LEU H CA 947 C C . LEU B 26 ? 0.2111 0.2010 0.1406 -0.0081 -0.0443 0.0246 346 LEU H C 948 O O . LEU B 26 ? 0.2593 0.2204 0.2420 -0.0130 -0.1019 0.0574 346 LEU H O 949 C CB A LEU B 26 ? 0.2312 0.2768 0.1653 -0.0137 -0.0765 0.0231 346 LEU H CB 950 C CB B LEU B 26 ? 0.2164 0.2665 0.2025 0.0083 0.0325 0.0079 346 LEU H CB 951 C CG A LEU B 26 ? 0.3052 0.3162 0.1780 -0.0234 -0.0703 0.0379 346 LEU H CG 952 C CG B LEU B 26 ? 0.2406 0.2804 0.2416 0.0738 0.0911 0.0344 346 LEU H CG 953 C CD1 A LEU B 26 ? 0.3244 0.3500 0.1589 -0.0008 -0.0882 0.0439 346 LEU H CD1 954 C CD1 B LEU B 26 ? 0.3071 0.2933 0.2420 0.0676 0.1359 0.0380 346 LEU H CD1 955 C CD2 A LEU B 26 ? 0.3282 0.3204 0.1788 -0.0424 -0.0904 0.0373 346 LEU H CD2 956 C CD2 B LEU B 26 ? 0.2309 0.2551 0.2538 0.0870 0.0805 0.0391 346 LEU H CD2 978 N N . LEU B 27 ? 0.1736 0.2003 0.1088 -0.0227 -0.0238 0.0316 347 LEU H N 979 C CA . LEU B 27 ? 0.1806 0.2167 0.1207 -0.0290 -0.0252 0.0315 347 LEU H CA 980 C C . LEU B 27 ? 0.2206 0.1896 0.1150 -0.0234 -0.0223 0.0200 347 LEU H C 981 O O . LEU B 27 ? 0.3195 0.1844 0.1484 -0.0534 -0.0485 0.0277 347 LEU H O 982 C CB . LEU B 27 ? 0.2116 0.2773 0.1344 -0.0394 -0.0176 0.0345 347 LEU H CB 983 C CG . LEU B 27 ? 0.2583 0.3040 0.1475 -0.0515 0.0302 0.0312 347 LEU H CG 984 C CD1 . LEU B 27 ? 0.2242 0.3257 0.1863 -0.0329 0.0451 -0.0118 347 LEU H CD1 985 C CD2 . LEU B 27 ? 0.3568 0.2958 0.1573 -0.0967 0.0029 0.0511 347 LEU H CD2 997 N N . CYS B 28 ? 0.1707 0.1429 0.0999 -0.0208 -0.0154 0.0094 348 CYS H N 998 C CA . CYS B 28 ? 0.1575 0.1244 0.0847 -0.0124 -0.0251 -0.0074 348 CYS H CA 999 C C . CYS B 28 ? 0.1097 0.1177 0.0806 0.0018 -0.0032 -0.0079 348 CYS H C 1000 O O . CYS B 28 ? 0.1566 0.1149 0.0812 -0.0183 0.0009 -0.0213 348 CYS H O 1001 C CB . CYS B 28 ? 0.1790 0.1473 0.1065 -0.0867 -0.0465 0.0207 348 CYS H CB 1002 S SG . CYS B 28 ? 0.1582 0.1565 0.1246 -0.0205 0.0125 -0.0022 348 CYS H SG 1007 N N . GLY B 29 ? 0.1073 0.1144 0.0874 -0.0120 -0.0126 -0.0150 349 GLY H N 1008 C CA . GLY B 29 ? 0.0847 0.1006 0.0774 -0.0165 -0.0032 -0.0012 349 GLY H CA 1009 C C . GLY B 29 ? 0.0864 0.1074 0.0615 -0.0280 0.0016 -0.0197 349 GLY H C 1010 O O . GLY B 29 ? 0.0963 0.0964 0.0900 -0.0131 0.0017 -0.0155 349 GLY H O 1014 N N . ALA B 30 ? 0.0908 0.0952 0.0734 -0.0114 0.0064 0.0028 350 ALA H N 1015 C CA . ALA B 30 ? 0.0868 0.0895 0.0806 0.0048 -0.0050 -0.0088 350 ALA H CA 1016 C C . ALA B 30 ? 0.0960 0.0848 0.0655 -0.0152 0.0164 -0.0276 350 ALA H C 1017 O O . ALA B 30 ? 0.0917 0.0972 0.0798 -0.0207 0.0044 -0.0166 350 ALA H O 1018 C CB . ALA B 30 ? 0.1178 0.0947 0.0879 0.0118 0.0147 -0.0257 350 ALA H CB 1024 N N . SER B 31 ? 0.0997 0.0734 0.0755 -0.0039 0.0017 -0.0133 351 SER H N 1025 C CA . SER B 31 ? 0.1055 0.0823 0.1032 -0.0102 0.0016 -0.0240 351 SER H CA 1026 C C . SER B 31 ? 0.0801 0.0947 0.1016 -0.0078 0.0184 -0.0121 351 SER H C 1027 O O . SER B 31 ? 0.1088 0.0875 0.1185 -0.0137 0.0365 -0.0155 351 SER H O 1028 C CB . SER B 31 ? 0.0993 0.0863 0.0979 -0.0086 -0.0009 -0.0187 351 SER H CB 1029 O OG . SER B 31 ? 0.1270 0.1038 0.0912 -0.0116 0.0018 -0.0275 351 SER H OG 1035 N N . LEU B 32 ? 0.0863 0.0848 0.0986 -0.0123 0.0144 -0.0132 352 LEU H N 1036 C CA . LEU B 32 ? 0.1088 0.0882 0.0996 0.0049 0.0121 -0.0253 352 LEU H CA 1037 C C . LEU B 32 ? 0.1026 0.0719 0.1021 0.0152 0.0122 -0.0147 352 LEU H C 1038 O O . LEU B 32 ? 0.1196 0.0994 0.0902 -0.0082 0.0068 -0.0132 352 LEU H O 1039 C CB . LEU B 32 ? 0.1131 0.1085 0.1098 -0.0077 -0.0017 -0.0397 352 LEU H CB 1040 C CG . LEU B 32 ? 0.1633 0.0853 0.1226 -0.0070 0.0110 -0.0401 352 LEU H CG 1041 C CD1 . LEU B 32 ? 0.1754 0.1176 0.1281 -0.0028 0.0289 -0.0446 352 LEU H CD1 1042 C CD2 . LEU B 32 ? 0.1760 0.1045 0.1677 -0.0152 -0.0121 -0.0294 352 LEU H CD2 1054 N N . ILE B 33 ? 0.1059 0.0915 0.0968 0.0085 0.0018 -0.0286 353 ILE H N 1055 C CA . ILE B 33 ? 0.1095 0.1193 0.1189 0.0087 0.0000 -0.0227 353 ILE H CA 1056 C C . ILE B 33 ? 0.1301 0.1067 0.1369 0.0323 0.0115 -0.0308 353 ILE H C 1057 O O . ILE B 33 ? 0.1758 0.1225 0.1457 0.0300 -0.0226 -0.0065 353 ILE H O 1058 C CB . ILE B 33 ? 0.1171 0.1196 0.1183 0.0109 0.0106 -0.0389 353 ILE H CB 1059 C CG1 . ILE B 33 ? 0.1070 0.1369 0.1322 0.0133 0.0120 -0.0203 353 ILE H CG1 1060 C CG2 . ILE B 33 ? 0.1110 0.1376 0.1388 0.0089 0.0055 -0.0206 353 ILE H CG2 1061 C CD1 . ILE B 33 ? 0.1112 0.1731 0.1343 0.0020 0.0121 -0.0236 353 ILE H CD1 1073 N N . SER B 34 ? 0.1648 0.1148 0.1383 0.0360 0.0105 -0.0315 354 SER H N 1074 C CA . SER B 34 ? 0.1649 0.1140 0.1633 0.0370 -0.0061 -0.0427 354 SER H CA 1075 C C . SER B 34 ? 0.2180 0.1175 0.1840 0.0278 -0.0034 -0.0475 354 SER H C 1076 O O . SER B 34 ? 0.2468 0.1447 0.1980 0.0497 -0.0382 -0.0624 354 SER H O 1077 C CB . SER B 34 ? 0.1928 0.1375 0.1929 0.0539 0.0215 -0.0306 354 SER H CB 1078 O OG . SER B 34 ? 0.2079 0.1830 0.2038 0.0271 0.0215 0.0067 354 SER H OG 1084 N N . ASP B 35 ? 0.2250 0.1214 0.1845 0.0043 0.0245 -0.0556 355 ASP H N 1085 C CA . ASP B 35 ? 0.2149 0.1271 0.2120 -0.0067 0.0348 -0.0730 355 ASP H CA 1086 C C . ASP B 35 ? 0.2014 0.1207 0.1999 0.0056 0.0053 -0.0820 355 ASP H C 1087 O O . ASP B 35 ? 0.1906 0.1810 0.2147 -0.0078 0.0159 -0.1063 355 ASP H O 1088 C CB . ASP B 35 ? 0.2560 0.1476 0.2587 0.0119 0.0434 -0.0938 355 ASP H CB 1089 C CG . ASP B 35 ? 0.3118 0.1349 0.2975 0.0079 0.0293 -0.0746 355 ASP H CG 1090 O OD1 . ASP B 35 ? 0.3869 0.1419 0.3316 0.0092 0.0956 -0.0646 355 ASP H OD1 1091 O OD2 . ASP B 35 ? 0.2952 0.1702 0.3476 0.0403 -0.0404 -0.0272 355 ASP H OD2 1096 N N . ARG B 36 ? 0.1773 0.1111 0.1884 0.0067 -0.0167 -0.0584 356 ARG H N 1097 C CA . ARG B 36 ? 0.1859 0.1161 0.2151 0.0357 0.0236 -0.0501 356 ARG H CA 1098 C C . ARG B 36 ? 0.1499 0.1144 0.1595 0.0086 0.0135 -0.0536 356 ARG H C 1099 O O . ARG B 36 ? 0.1887 0.1418 0.1490 0.0144 0.0051 -0.0628 356 ARG H O 1100 C CB . ARG B 36 ? 0.3340 0.1842 0.3330 0.0011 0.0063 -0.0246 356 ARG H CB 1101 C CG . ARG B 36 ? 0.3297 0.2140 0.3688 0.0364 -0.0523 -0.0661 356 ARG H CG 1102 C CD . ARG B 36 ? 0.3415 0.3092 0.3987 0.0834 -0.0044 -0.0767 356 ARG H CD 1103 N NE . ARG B 36 ? 0.3920 0.3704 0.4315 0.1256 0.0192 -0.0875 356 ARG H NE 1104 C CZ . ARG B 36 ? 0.3917 0.3979 0.4312 0.1399 0.0558 -0.1126 356 ARG H CZ 1105 N NH1 . ARG B 36 ? 0.3776 0.3717 0.4397 0.1633 0.0289 -0.0803 356 ARG H NH1 1106 N NH2 . ARG B 36 ? 0.4470 0.4524 0.4384 0.1018 0.0324 -0.1017 356 ARG H NH2 1120 N N . TRP B 37 ? 0.1251 0.1089 0.1536 0.0116 0.0071 -0.0487 357 TRP H N 1121 C CA . TRP B 37 ? 0.1210 0.1152 0.1439 0.0148 -0.0053 -0.0517 357 TRP H CA 1122 C C . TRP B 37 ? 0.1102 0.1032 0.1301 0.0018 0.0249 -0.0413 357 TRP H C 1123 O O . TRP B 37 ? 0.1259 0.1004 0.1174 0.0099 0.0130 -0.0342 357 TRP H O 1124 C CB . TRP B 37 ? 0.1158 0.1303 0.1405 0.0035 0.0059 -0.0513 357 TRP H CB 1125 C CG . TRP B 37 ? 0.1364 0.1168 0.1426 0.0307 -0.0034 -0.0298 357 TRP H CG 1126 C CD1 . TRP B 37 ? 0.1597 0.1378 0.2054 0.0388 0.0151 -0.0096 357 TRP H CD1 1127 C CD2 . TRP B 37 ? 0.1256 0.1237 0.1502 0.0289 0.0068 -0.0555 357 TRP H CD2 1128 N NE1 . TRP B 37 ? 0.1400 0.1412 0.2226 0.0384 0.0224 -0.0128 357 TRP H NE1 1129 C CE2 . TRP B 37 ? 0.1351 0.1262 0.1935 0.0330 0.0154 -0.0307 357 TRP H CE2 1130 C CE3 . TRP B 37 ? 0.1353 0.1333 0.1539 0.0127 0.0239 -0.0418 357 TRP H CE3 1131 C CZ2 . TRP B 37 ? 0.1216 0.1664 0.1890 0.0422 0.0053 -0.0696 357 TRP H CZ2 1132 C CZ3 . TRP B 37 ? 0.1588 0.1628 0.1632 0.0307 0.0384 -0.0412 357 TRP H CZ3 1133 C CH2 . TRP B 37 ? 0.1433 0.1809 0.1647 0.0273 0.0293 -0.0569 357 TRP H CH2 1144 N N . VAL B 38 ? 0.1210 0.0895 0.1260 0.0044 0.0203 -0.0385 358 VAL H N 1145 C CA . VAL B 38 ? 0.1118 0.0854 0.1242 0.0109 0.0088 -0.0446 358 VAL H CA 1146 C C . VAL B 38 ? 0.0948 0.1036 0.1019 -0.0043 0.0279 -0.0203 358 VAL H C 1147 O O . VAL B 38 ? 0.1034 0.1143 0.1297 -0.0040 0.0278 -0.0394 358 VAL H O 1148 C CB . VAL B 38 ? 0.1074 0.1160 0.1273 0.0009 0.0117 -0.0496 358 VAL H CB 1149 C CG1 . VAL B 38 ? 0.1230 0.1274 0.1277 0.0066 -0.0084 -0.0353 358 VAL H CG1 1150 C CG2 . VAL B 38 ? 0.1285 0.1416 0.1451 0.0088 0.0053 -0.0556 358 VAL H CG2 1160 N N . LEU B 39 ? 0.0922 0.0867 0.0919 -0.0014 0.0275 -0.0273 359 LEU H N 1161 C CA . LEU B 39 ? 0.0814 0.1062 0.1057 0.0083 0.0238 -0.0297 359 LEU H CA 1162 C C . LEU B 39 ? 0.0788 0.1040 0.0939 0.0010 0.0178 -0.0266 359 LEU H C 1163 O O . LEU B 39 ? 0.0830 0.0960 0.1089 -0.0041 0.0162 -0.0149 359 LEU H O 1164 C CB . LEU B 39 ? 0.1179 0.1256 0.1114 -0.0009 0.0255 -0.0418 359 LEU H CB 1165 C CG . LEU B 39 ? 0.1508 0.1292 0.1257 -0.0168 0.0212 -0.0147 359 LEU H CG 1166 C CD1 . LEU B 39 ? 0.1294 0.1865 0.1150 -0.0603 0.0143 -0.0181 359 LEU H CD1 1167 C CD2 . LEU B 39 ? 0.1352 0.1511 0.1072 -0.0257 0.0149 -0.0257 359 LEU H CD2 1179 N N . THR B 40 ? 0.0882 0.0990 0.1042 -0.0029 0.0121 -0.0124 360 THR H N 1180 C CA . THR B 40 ? 0.1030 0.1039 0.0945 -0.0225 0.0159 -0.0300 360 THR H CA 1181 C C . THR B 40 ? 0.0774 0.1128 0.0695 -0.0023 0.0232 -0.0171 360 THR H C 1182 O O . THR B 40 ? 0.0875 0.0920 0.0992 -0.0039 0.0081 -0.0152 360 THR H O 1183 C CB . THR B 40 ? 0.0944 0.1198 0.1071 -0.0137 0.0158 -0.0297 360 THR H CB 1184 O OG1 . THR B 40 ? 0.1023 0.1132 0.0967 -0.0007 0.0107 -0.0113 360 THR H OG1 1185 C CG2 . THR B 40 ? 0.1070 0.1342 0.1184 -0.0015 0.0200 -0.0198 360 THR H CG2 1193 N N . ALA B 41 ? 0.0738 0.1112 0.0873 -0.0040 0.0121 -0.0112 361 ALA H N 1194 C CA . ALA B 41 ? 0.0849 0.1063 0.0751 -0.0345 0.0129 -0.0053 361 ALA H CA 1195 C C . ALA B 41 ? 0.1126 0.1111 0.0963 -0.0202 0.0216 -0.0254 361 ALA H C 1196 O O . ALA B 41 ? 0.1287 0.1325 0.0933 -0.0359 0.0338 -0.0174 361 ALA H O 1197 C CB . ALA B 41 ? 0.0924 0.0971 0.0953 -0.0105 0.0123 0.0059 361 ALA H CB 1203 N N . ALA B 42 ? 0.0900 0.1021 0.0996 -0.0171 0.0184 -0.0096 362 ALA H N 1204 C CA . ALA B 42 ? 0.1047 0.1229 0.1076 -0.0317 0.0405 0.0054 362 ALA H CA 1205 C C . ALA B 42 ? 0.1070 0.1158 0.1000 -0.0364 0.0344 -0.0088 362 ALA H C 1206 O O . ALA B 42 ? 0.1175 0.1535 0.0848 -0.0290 0.0331 -0.0080 362 ALA H O 1207 C CB . ALA B 42 ? 0.1130 0.1350 0.1380 -0.0249 0.0406 0.0062 362 ALA H CB 1213 N N . HIS B 43 ? 0.1114 0.1078 0.1070 -0.0206 0.0286 0.0034 363 HIS H N 1214 C CA . HIS B 43 ? 0.1162 0.1127 0.1013 -0.0188 0.0033 0.0048 363 HIS H CA 1215 C C . HIS B 43 ? 0.1358 0.1230 0.1007 -0.0015 0.0332 0.0092 363 HIS H C 1216 O O . HIS B 43 ? 0.1635 0.1514 0.1023 -0.0126 0.0100 0.0105 363 HIS H O 1217 C CB . HIS B 43 ? 0.1283 0.1247 0.1013 -0.0208 0.0313 -0.0033 363 HIS H CB 1218 C CG . HIS B 43 ? 0.1379 0.1084 0.0862 -0.0118 0.0134 0.0095 363 HIS H CG 1219 N ND1 . HIS B 43 ? 0.0963 0.1140 0.0895 -0.0116 0.0046 -0.0055 363 HIS H ND1 1220 C CD2 . HIS B 43 ? 0.1317 0.1190 0.1070 -0.0038 -0.0059 0.0062 363 HIS H CD2 1221 C CE1 . HIS B 43 ? 0.1113 0.1191 0.0841 0.0052 -0.0185 -0.0130 363 HIS H CE1 1222 N NE2 . HIS B 43 ? 0.1084 0.1428 0.1150 0.0018 0.0178 -0.0107 363 HIS H NE2 1231 N N . CYS B 44 ? 0.1126 0.1316 0.1029 -0.0265 0.0170 -0.0038 364 CYS H N 1232 C CA . CYS B 44 ? 0.1271 0.1547 0.0931 -0.0270 0.0251 -0.0155 364 CYS H CA 1233 C C . CYS B 44 ? 0.1198 0.1990 0.0982 -0.0283 0.0072 -0.0193 364 CYS H C 1234 O O . CYS B 44 ? 0.1363 0.2684 0.1065 -0.0333 0.0185 -0.0381 364 CYS H O 1235 C CB . CYS B 44 ? 0.1158 0.1600 0.1062 -0.0315 0.0087 -0.0252 364 CYS H CB 1236 S SG . CYS B 44 ? 0.1379 0.1728 0.1131 -0.0225 0.0245 -0.0127 364 CYS H SG 1241 N N . LEU B 45 ? 0.1321 0.1706 0.1033 -0.0497 0.0333 -0.0130 365 LEU H N 1242 C CA . LEU B 45 ? 0.1434 0.1939 0.1080 -0.0367 0.0423 -0.0387 365 LEU H CA 1243 C C . LEU B 45 ? 0.1690 0.2114 0.1090 -0.0463 0.0475 -0.0375 365 LEU H C 1244 O O . LEU B 45 ? 0.2290 0.2820 0.1353 -0.1047 0.0647 -0.0689 365 LEU H O 1245 C CB . LEU B 45 ? 0.1287 0.2097 0.1395 -0.0339 0.0296 -0.0418 365 LEU H CB 1246 C CG . LEU B 45 ? 0.1684 0.1979 0.1466 -0.0299 0.0104 -0.0373 365 LEU H CG 1247 C CD1 . LEU B 45 ? 0.2470 0.2390 0.1474 -0.0347 0.0047 -0.0327 365 LEU H CD1 1248 C CD2 . LEU B 45 ? 0.2074 0.2225 0.1921 -0.0479 -0.0268 -0.0552 365 LEU H CD2 1260 N N . LEU B 46 ? 0.1676 0.1748 0.1107 -0.0513 0.0446 -0.0202 366 LEU H N 1261 C CA . LEU B 46 ? 0.1780 0.1817 0.1246 -0.0318 0.0368 -0.0111 366 LEU H CA 1262 C C . LEU B 46 ? 0.1884 0.1832 0.1103 -0.0658 0.0577 0.0057 366 LEU H C 1263 O O . LEU B 46 ? 0.1761 0.1752 0.1093 -0.0555 0.0422 0.0006 366 LEU H O 1264 C CB . LEU B 46 ? 0.1825 0.2010 0.1452 -0.0338 0.0581 0.0054 366 LEU H CB 1265 C CG . LEU B 46 ? 0.1587 0.2370 0.1571 -0.0512 0.0583 0.0045 366 LEU H CG 1266 C CD1 . LEU B 46 ? 0.2327 0.2519 0.1692 -0.0476 0.0822 0.0100 366 LEU H CD1 1267 C CD2 . LEU B 46 ? 0.1655 0.2524 0.2047 -0.0459 0.0510 -0.0261 366 LEU H CD2 1279 N N . TYR B 47 ? 0.2427 0.1989 0.1144 -0.0637 0.0419 0.0134 367 TYR H N 1280 C CA . TYR B 47 ? 0.2066 0.1967 0.1405 -0.0646 0.0396 0.0457 367 TYR H CA 1281 C C . TYR B 47 ? 0.2553 0.2241 0.1763 -0.0209 0.0747 0.0503 367 TYR H C 1282 O O . TYR B 47 ? 0.3045 0.2443 0.1651 -0.0135 0.0495 0.0577 367 TYR H O 1283 C CB . TYR B 47 ? 0.1821 0.1966 0.1283 -0.0597 0.0160 0.0120 367 TYR H CB 1284 C CG . TYR B 47 ? 0.2099 0.1811 0.1330 -0.0678 0.0189 0.0264 367 TYR H CG 1285 C CD1 . TYR B 47 ? 0.1918 0.1941 0.1458 -0.0676 0.0299 0.0167 367 TYR H CD1 1286 C CD2 . TYR B 47 ? 0.2337 0.1927 0.1477 -0.0544 0.0415 0.0477 367 TYR H CD2 1287 C CE1 . TYR B 47 ? 0.1974 0.1853 0.1569 -0.0507 0.0427 0.0256 367 TYR H CE1 1288 C CE2 . TYR B 47 ? 0.2424 0.1779 0.1597 -0.0545 0.0187 0.0562 367 TYR H CE2 1289 C CZ . TYR B 47 ? 0.2222 0.1808 0.1714 -0.0641 0.0280 0.0257 367 TYR H CZ 1290 O OH . TYR B 47 ? 0.2378 0.1939 0.1878 -0.0450 0.0369 0.0036 367 TYR H OH 1300 N N . PRO B 48 ? 0.2869 0.2499 0.2239 -0.0399 0.1108 0.0762 368 PRO H N 1301 C CA . PRO B 48 ? 0.3469 0.2970 0.2610 -0.0053 0.1419 0.0954 368 PRO H CA 1302 C C . PRO B 48 ? 0.3725 0.3141 0.2661 -0.0174 0.1244 0.1193 368 PRO H C 1303 O O . PRO B 48 ? 0.4427 0.3410 0.2709 -0.0136 0.1115 0.1407 368 PRO H O 1304 C CB . PRO B 48 ? 0.3485 0.3387 0.2966 -0.0254 0.1568 0.0967 368 PRO H CB 1305 C CG . PRO B 48 ? 0.3211 0.3279 0.3015 -0.0413 0.1445 0.0982 368 PRO H CG 1306 C CD . PRO B 48 ? 0.2744 0.2958 0.2670 -0.0439 0.1241 0.0859 368 PRO H CD 1314 N N . PRO B 49 ? 0.3367 0.2737 0.2763 -0.0466 0.1203 0.1013 369 PRO H N 1315 C CA . PRO B 49 ? 0.3734 0.2873 0.2957 -0.0323 0.1103 0.1314 369 PRO H CA 1316 C C . PRO B 49 ? 0.4166 0.3032 0.2927 0.0074 0.0776 0.1458 369 PRO H C 1317 O O . PRO B 49 ? 0.4801 0.3112 0.3151 0.0331 0.0861 0.1616 369 PRO H O 1318 C CB . PRO B 49 ? 0.3548 0.2614 0.2988 -0.0575 0.1058 0.0873 369 PRO H CB 1319 C CG . PRO B 49 ? 0.3580 0.2260 0.3008 -0.0786 0.0858 0.0992 369 PRO H CG 1320 C CD . PRO B 49 ? 0.3106 0.2458 0.2810 -0.0710 0.1024 0.0911 369 PRO H CD 1328 N N . TRP B 50 ? 0.3808 0.3329 0.2692 -0.0052 0.0941 0.1329 370 TRP H N 1329 C CA . TRP B 50 ? 0.3928 0.3295 0.2483 0.0250 0.0516 0.1204 370 TRP H CA 1330 C C . TRP B 50 ? 0.4633 0.3592 0.2284 0.0259 0.0614 0.1211 370 TRP H C 1331 O O . TRP B 50 ? 0.5104 0.3949 0.2284 0.0448 0.0179 0.0737 370 TRP H O 1332 C CB . TRP B 50 ? 0.3121 0.3010 0.2473 0.0154 0.0339 0.1133 370 TRP H CB 1333 C CG . TRP B 50 ? 0.3067 0.2747 0.2286 -0.0095 -0.0030 0.1117 370 TRP H CG 1334 C CD1 . TRP B 50 ? 0.3273 0.2665 0.2286 0.0218 0.0277 0.0936 370 TRP H CD1 1335 C CD2 . TRP B 50 ? 0.2619 0.2742 0.2288 -0.0051 -0.0235 0.0991 370 TRP H CD2 1336 N NE1 . TRP B 50 ? 0.3086 0.2549 0.2358 0.0192 -0.0051 0.0949 370 TRP H NE1 1337 C CE2 . TRP B 50 ? 0.2734 0.2870 0.2318 0.0030 -0.0133 0.0955 370 TRP H CE2 1338 C CE3 . TRP B 50 ? 0.2518 0.2822 0.2389 -0.0068 -0.0044 0.0845 370 TRP H CE3 1339 C CZ2 . TRP B 50 ? 0.2605 0.3000 0.2589 -0.0106 -0.0052 0.1030 370 TRP H CZ2 1340 C CZ3 . TRP B 50 ? 0.2418 0.3075 0.2678 -0.0063 -0.0142 0.0927 370 TRP H CZ3 1341 C CH2 . TRP B 50 ? 0.2435 0.3046 0.2893 -0.0004 -0.0061 0.0959 370 TRP H CH2 1352 N N . ASP B 51 ? 0.4951 0.3746 0.2276 0.0643 0.0865 0.1313 371 ASP H N 1353 C CA . ASP B 51 ? 0.5468 0.4279 0.2336 0.0355 0.0805 0.1415 371 ASP H CA 1354 C C . ASP B 51 ? 0.5337 0.4352 0.1803 0.0437 0.0618 0.0848 371 ASP H C 1355 O O . ASP B 51 ? 0.5770 0.4607 0.1644 0.0531 0.0439 0.0425 371 ASP H O 1356 C CB . ASP B 51 ? 0.6258 0.4996 0.2954 0.0196 0.0587 0.1611 371 ASP H CB 1357 C CG . ASP B 51 ? 0.6974 0.5842 0.3822 -0.0035 0.0314 0.1573 371 ASP H CG 1358 O OD1 . ASP B 51 ? 0.7058 0.6046 0.4073 -0.0411 0.0559 0.1762 371 ASP H OD1 1359 O OD2 . ASP B 51 ? 0.7546 0.6276 0.4364 -0.0024 0.0146 0.1363 371 ASP H OD2 1364 N N . LYS B 52 ? 0.4433 0.3951 0.1582 0.0149 0.0306 0.1045 372 LYS H N 1365 C CA . LYS B 52 ? 0.3641 0.3612 0.1434 -0.0208 0.0388 0.0410 372 LYS H CA 1366 C C . LYS B 52 ? 0.3389 0.3136 0.1207 -0.0444 0.0401 0.0007 372 LYS H C 1367 O O . LYS B 52 ? 0.2971 0.2567 0.1167 -0.0591 0.0552 0.0060 372 LYS H O 1368 C CB . LYS B 52 ? 0.3208 0.3769 0.1540 -0.0119 0.0117 0.0322 372 LYS H CB 1369 C CG . LYS B 52 ? 0.2960 0.3838 0.1734 -0.0193 0.0541 0.0227 372 LYS H CG 1370 C CD . LYS B 52 ? 0.2915 0.3910 0.2270 -0.0131 0.0540 0.0342 372 LYS H CD 1371 C CE . LYS B 52 ? 0.3117 0.4324 0.2874 0.0308 0.0496 0.0151 372 LYS H CE 1372 N NZ . LYS B 52 ? 0.3214 0.4436 0.2724 0.0459 0.0713 0.0308 372 LYS H NZ 1386 N N . ASN B 53 ? 0.3036 0.2879 0.1201 -0.0751 0.0587 -0.0146 373 ASN H N 1387 C CA . ASN B 53 ? 0.3223 0.2943 0.1486 -0.0952 0.0910 -0.0392 373 ASN H CA 1388 C C . ASN B 53 ? 0.3346 0.3027 0.1325 -0.1041 0.0686 -0.0327 373 ASN H C 1389 O O . ASN B 53 ? 0.3764 0.3485 0.1634 -0.0760 0.0909 -0.0455 373 ASN H O 1390 C CB . ASN B 53 ? 0.3434 0.3324 0.2094 -0.1076 0.1261 -0.0114 373 ASN H CB 1391 C CG . ASN B 53 ? 0.3677 0.3951 0.2918 -0.1105 0.1677 -0.0053 373 ASN H CG 1392 O OD1 . ASN B 53 ? 0.3522 0.3553 0.2376 -0.1067 0.1298 -0.0362 373 ASN H OD1 1393 N ND2 . ASN B 53 ? 0.4594 0.4888 0.4506 -0.1204 0.2006 0.0531 373 ASN H ND2 1398 N N . PHE B 54 ? 0.3109 0.2776 0.1343 -0.1204 0.0492 -0.0499 374 PHE H N 1399 C CA . PHE B 54 ? 0.3103 0.3026 0.1653 -0.1135 0.0224 -0.0601 374 PHE H CA 1400 C C . PHE B 54 ? 0.3196 0.3224 0.2251 -0.1077 -0.0193 -0.0460 374 PHE H C 1401 O O . PHE B 54 ? 0.3312 0.3250 0.2350 -0.1019 -0.0420 -0.0567 374 PHE H O 1402 C CB . PHE B 54 ? 0.2964 0.3454 0.1469 -0.1483 0.0076 -0.0507 374 PHE H CB 1403 C CG . PHE B 54 ? 0.2654 0.3935 0.1617 -0.1626 0.0451 -0.0568 374 PHE H CG 1404 C CD1 . PHE B 54 ? 0.2976 0.4147 0.1588 -0.1288 0.0212 -0.0676 374 PHE H CD1 1405 C CD2 . PHE B 54 ? 0.3133 0.4291 0.1670 -0.1370 0.0553 -0.0580 374 PHE H CD2 1406 C CE1 . PHE B 54 ? 0.2774 0.4582 0.1751 -0.1223 0.0490 -0.0436 374 PHE H CE1 1407 C CE2 . PHE B 54 ? 0.3029 0.4607 0.1602 -0.1346 0.0551 -0.0603 374 PHE H CE2 1408 C CZ . PHE B 54 ? 0.2936 0.4622 0.1850 -0.1373 0.0538 -0.0391 374 PHE H CZ 1418 N N . THR B 55 ? 0.3005 0.3028 0.2568 -0.0828 -0.0326 -0.0585 375 THR H N 1419 C CA . THR B 55 ? 0.2731 0.3469 0.2799 -0.0815 0.0033 -0.0515 375 THR H CA 1420 C C . THR B 55 ? 0.2469 0.3117 0.2595 -0.0939 -0.0116 -0.0694 375 THR H C 1421 O O . THR B 55 ? 0.2283 0.2880 0.2688 -0.0629 -0.0048 -0.0832 375 THR H O 1422 C CB . THR B 55 ? 0.3078 0.4146 0.3034 -0.0214 0.0318 -0.0551 375 THR H CB 1423 O OG1 . THR B 55 ? 0.3807 0.4903 0.3453 -0.0481 0.0487 -0.0096 375 THR H OG1 1424 C CG2 . THR B 55 ? 0.3120 0.4103 0.2901 -0.0278 0.0115 -0.0838 375 THR H CG2 1432 N N . GLU B 56 ? 0.2175 0.3036 0.2092 -0.0923 0.0187 -0.0415 376 GLU H N 1433 C CA . GLU B 56 ? 0.2141 0.3030 0.1898 -0.0917 0.0289 -0.0419 376 GLU H CA 1434 C C . GLU B 56 ? 0.2202 0.2916 0.1775 -0.0695 0.0365 -0.0818 376 GLU H C 1435 O O . GLU B 56 ? 0.2099 0.3015 0.2243 -0.0844 0.0464 -0.0788 376 GLU H O 1436 C CB . GLU B 56 ? 0.2271 0.3188 0.1728 -0.0552 0.0060 -0.0124 376 GLU H CB 1437 C CG . GLU B 56 ? 0.2349 0.3467 0.1698 -0.0267 0.0109 -0.0235 376 GLU H CG 1438 C CD . GLU B 56 ? 0.2117 0.3819 0.1572 -0.0458 0.0507 -0.0144 376 GLU H CD 1439 O OE1 . GLU B 56 ? 0.2165 0.4524 0.2155 -0.0851 0.0143 0.0236 376 GLU H OE1 1440 O OE2 . GLU B 56 ? 0.2202 0.3302 0.1592 -0.0436 0.0553 -0.0319 376 GLU H OE2 1447 N N . ASN B 57 ? 0.2331 0.3097 0.1761 -0.0561 0.0420 -0.0738 377 ASN H N 1448 C CA . ASN B 57 ? 0.2408 0.3523 0.1645 -0.0082 0.0116 -0.0806 377 ASN H CA 1449 C C . ASN B 57 ? 0.1963 0.3398 0.1547 -0.0810 0.0164 -0.0414 377 ASN H C 1450 O O . ASN B 57 ? 0.2395 0.3569 0.1571 -0.0793 0.0228 -0.0613 377 ASN H O 1451 C CB . ASN B 57 ? 0.3015 0.4377 0.2226 0.0107 -0.0374 -0.0855 377 ASN H CB 1452 C CG . ASN B 57 ? 0.4693 0.4782 0.2906 -0.0526 -0.0674 -0.0428 377 ASN H CG 1453 O OD1 . ASN B 57 ? 0.5526 0.4814 0.3490 -0.1069 -0.0613 -0.0304 377 ASN H OD1 1454 N ND2 . ASN B 57 ? 0.5054 0.5094 0.2749 -0.0137 -0.0715 -0.0272 377 ASN H ND2 1461 N N . ASP B 58 ? 0.2039 0.2945 0.1309 -0.0451 0.0224 -0.0224 378 ASP H N 1462 C CA . ASP B 58 ? 0.2274 0.2820 0.1499 -0.0500 0.0146 -0.0128 378 ASP H CA 1463 C C . ASP B 58 ? 0.1875 0.2420 0.1115 -0.0611 0.0048 -0.0216 378 ASP H C 1464 O O . ASP B 58 ? 0.1994 0.2505 0.1365 -0.0550 0.0086 -0.0177 378 ASP H O 1465 C CB . ASP B 58 ? 0.2877 0.2857 0.1565 -0.1001 0.0301 -0.0310 378 ASP H CB 1466 C CG . ASP B 58 ? 0.3095 0.3262 0.1756 -0.1309 0.0423 -0.0453 378 ASP H CG 1467 O OD1 . ASP B 58 ? 0.3228 0.3891 0.1743 -0.1179 0.0551 -0.0532 378 ASP H OD1 1468 O OD2 . ASP B 58 ? 0.3118 0.3663 0.1772 -0.1368 0.0483 -0.0242 378 ASP H OD2 1473 N N . LEU B 59 ? 0.2183 0.2281 0.1198 -0.0492 0.0294 -0.0513 379 LEU H N 1474 C CA . LEU B 59 ? 0.2300 0.2151 0.1172 -0.0558 0.0186 -0.0743 379 LEU H CA 1475 C C . LEU B 59 ? 0.1947 0.2113 0.1143 -0.0619 0.0062 -0.0672 379 LEU H C 1476 O O . LEU B 59 ? 0.1982 0.2391 0.1541 -0.0290 0.0276 -0.0512 379 LEU H O 1477 C CB . LEU B 59 ? 0.2364 0.2566 0.1687 -0.0844 0.0016 -0.0446 379 LEU H CB 1478 C CG . LEU B 59 ? 0.2091 0.2848 0.1700 -0.0827 0.0296 -0.0736 379 LEU H CG 1479 C CD1 . LEU B 59 ? 0.2462 0.3000 0.1991 -0.0949 0.0103 -0.0541 379 LEU H CD1 1480 C CD2 . LEU B 59 ? 0.2720 0.3185 0.1900 -0.0567 0.0170 -0.0964 379 LEU H CD2 1492 N N . LEU B 60 ? 0.2125 0.1748 0.0968 -0.0348 0.0186 -0.0381 380 LEU H N 1493 C CA . LEU B 60 ? 0.2124 0.1706 0.1029 -0.0566 0.0109 -0.0514 380 LEU H CA 1494 C C . LEU B 60 ? 0.1623 0.1481 0.1070 -0.0035 0.0201 -0.0329 380 LEU H C 1495 O O . LEU B 60 ? 0.2087 0.1482 0.1253 -0.0035 0.0203 -0.0349 380 LEU H O 1496 C CB . LEU B 60 ? 0.2765 0.1697 0.1398 -0.0299 -0.0099 -0.0634 380 LEU H CB 1497 C CG . LEU B 60 ? 0.3123 0.1776 0.1601 -0.0103 0.0127 -0.0465 380 LEU H CG 1498 C CD1 . LEU B 60 ? 0.2687 0.1939 0.1204 -0.0669 -0.0322 -0.0474 380 LEU H CD1 1499 C CD2 . LEU B 60 ? 0.3635 0.1884 0.1632 -0.0174 0.0629 -0.0712 380 LEU H CD2 1511 N N . VAL B 61 ? 0.1494 0.1474 0.1048 -0.0116 0.0089 -0.0374 381 VAL H N 1512 C CA . VAL B 61 ? 0.1515 0.1861 0.1020 -0.0328 0.0232 -0.0443 381 VAL H CA 1513 C C . VAL B 61 ? 0.1486 0.1597 0.0953 -0.0339 0.0193 -0.0570 381 VAL H C 1514 O O . VAL B 61 ? 0.1779 0.1737 0.1492 -0.0348 0.0394 -0.0865 381 VAL H O 1515 C CB . VAL B 61 ? 0.2064 0.2516 0.1454 -0.0652 0.0211 -0.0107 381 VAL H CB 1516 C CG1 . VAL B 61 ? 0.2147 0.2845 0.1378 -0.1053 0.0258 -0.0572 381 VAL H CG1 1517 C CG2 . VAL B 61 ? 0.1900 0.2148 0.1762 -0.0080 -0.0099 -0.0174 381 VAL H CG2 1527 N N . ARG B 62 ? 0.1557 0.1415 0.0965 -0.0207 0.0206 -0.0393 382 ARG H N 1528 C CA . ARG B 62 ? 0.1439 0.1191 0.1241 0.0044 -0.0035 -0.0233 382 ARG H CA 1529 C C . ARG B 62 ? 0.1335 0.1196 0.1130 -0.0186 0.0190 -0.0430 382 ARG H C 1530 O O . ARG B 62 ? 0.1462 0.1060 0.1145 -0.0133 0.0060 -0.0359 382 ARG H O 1531 C CB . ARG B 62 ? 0.1677 0.1517 0.1215 0.0034 0.0069 -0.0461 382 ARG H CB 1532 C CG . ARG B 62 ? 0.2009 0.2060 0.1167 0.0048 -0.0136 -0.0278 382 ARG H CG 1533 C CD . ARG B 62 ? 0.1912 0.1930 0.1187 0.0004 -0.0233 -0.0313 382 ARG H CD 1534 N NE . ARG B 62 ? 0.2329 0.2092 0.1181 -0.0002 -0.0569 -0.0445 382 ARG H NE 1535 C CZ . ARG B 62 ? 0.2358 0.2379 0.1368 -0.0071 -0.0270 -0.0247 382 ARG H CZ 1536 N NH1 . ARG B 62 ? 0.2216 0.2222 0.1688 -0.0186 -0.0522 -0.0178 382 ARG H NH1 1537 N NH2 . ARG B 62 ? 0.2253 0.2269 0.1638 -0.0029 -0.0469 -0.0036 382 ARG H NH2 1551 N N . ILE B 63 ? 0.1448 0.1284 0.1193 -0.0230 -0.0131 -0.0442 383 ILE H N 1552 C CA . ILE B 63 ? 0.1562 0.1296 0.1123 -0.0184 -0.0170 -0.0298 383 ILE H CA 1553 C C . ILE B 63 ? 0.1709 0.1140 0.1006 -0.0213 -0.0178 -0.0250 383 ILE H C 1554 O O . ILE B 63 ? 0.1752 0.1390 0.1202 -0.0286 -0.0066 -0.0536 383 ILE H O 1555 C CB . ILE B 63 ? 0.1643 0.1163 0.1678 -0.0393 -0.0218 0.0099 383 ILE H CB 1556 C CG1 . ILE B 63 ? 0.1737 0.1423 0.1496 -0.0022 -0.0102 -0.0371 383 ILE H CG1 1557 C CG2 . ILE B 63 ? 0.1466 0.2008 0.2031 -0.0322 -0.0046 0.0562 383 ILE H CG2 1558 C CD1 . ILE B 63 ? 0.2193 0.2338 0.2184 -0.0071 -0.0219 0.0058 383 ILE H CD1 1570 N N . GLY B 64 ? 0.1522 0.1321 0.0972 -0.0454 -0.0134 -0.0291 384 GLY H N 1571 C CA . GLY B 64 ? 0.1537 0.1367 0.1216 -0.0314 -0.0026 -0.0470 384 GLY H CA 1572 C C . GLY B 64 ? 0.1418 0.1419 0.1373 -0.0311 -0.0151 -0.0456 384 GLY H C 1573 O O . GLY B 64 ? 0.1420 0.1669 0.1735 -0.0432 -0.0313 -0.0243 384 GLY H O 1577 N N . LYS B 65 ? 0.1291 0.1287 0.1385 -0.0314 -0.0263 -0.0296 385 LYS H N 1578 C CA . LYS B 65 ? 0.1289 0.1403 0.1284 0.0132 -0.0351 -0.0482 385 LYS H CA 1579 C C . LYS B 65 ? 0.1363 0.1558 0.1416 -0.0318 -0.0333 -0.0631 385 LYS H C 1580 O O . LYS B 65 ? 0.1452 0.1568 0.1393 -0.0236 -0.0366 -0.0349 385 LYS H O 1581 C CB . LYS B 65 ? 0.1472 0.1531 0.1379 0.0017 -0.0159 -0.0206 385 LYS H CB 1582 C CG . LYS B 65 ? 0.1376 0.1678 0.1511 0.0016 -0.0241 -0.0265 385 LYS H CG 1583 C CD . LYS B 65 ? 0.1547 0.1777 0.1650 0.0088 -0.0220 -0.0176 385 LYS H CD 1584 C CE . LYS B 65 ? 0.1443 0.2139 0.1651 -0.0041 -0.0417 -0.0424 385 LYS H CE 1585 N NZ . LYS B 65 ? 0.1708 0.2439 0.1868 0.0060 -0.0721 -0.0357 385 LYS H NZ 1599 N N . HIS B 66 ? 0.1269 0.1667 0.1418 -0.0260 -0.0332 -0.0500 386 HIS H N 1600 C CA . HIS B 66 ? 0.1025 0.1896 0.1501 -0.0205 -0.0171 -0.0353 386 HIS H CA 1601 C C . HIS B 66 ? 0.1134 0.2031 0.1290 -0.0148 -0.0303 -0.0534 386 HIS H C 1602 O O . HIS B 66 ? 0.1454 0.1705 0.1490 -0.0117 -0.0399 -0.0498 386 HIS H O 1603 C CB . HIS B 66 ? 0.1299 0.2119 0.1512 -0.0124 -0.0147 -0.0523 386 HIS H CB 1604 C CG . HIS B 66 ? 0.1338 0.2240 0.1735 -0.0417 -0.0097 -0.0659 386 HIS H CG 1605 N ND1 . HIS B 66 ? 0.1555 0.2776 0.1824 -0.0329 -0.0269 -0.0647 386 HIS H ND1 1606 C CD2 . HIS B 66 ? 0.1210 0.2369 0.2012 -0.0308 -0.0182 -0.0498 386 HIS H CD2 1607 C CE1 . HIS B 66 ? 0.1368 0.2740 0.1817 -0.0013 0.0147 -0.0647 386 HIS H CE1 1608 N NE2 . HIS B 66 ? 0.1520 0.2464 0.2112 -0.0028 -0.0298 -0.0458 386 HIS H NE2 1617 N N . SER B 67 ? 0.1363 0.2017 0.1680 -0.0172 -0.0636 -0.0608 387 SER H N 1618 C CA . SER B 67 ? 0.1488 0.2347 0.1534 0.0047 -0.0642 -0.0599 387 SER H CA 1619 C C . SER B 67 ? 0.1625 0.2294 0.1483 0.0374 -0.0677 -0.0334 387 SER H C 1620 O O . SER B 67 ? 0.1862 0.2211 0.1615 0.0567 -0.0249 -0.0164 387 SER H O 1621 C CB . SER B 67 ? 0.1497 0.2610 0.1752 0.0270 -0.0796 -0.0593 387 SER H CB 1622 O OG . SER B 67 ? 0.2059 0.2997 0.1796 0.0401 -0.0842 -0.0748 387 SER H OG 1628 N N . ARG B 68 ? 0.1686 0.2221 0.1376 0.0331 -0.0312 -0.0229 388 ARG H N 1629 C CA . ARG B 68 ? 0.1944 0.2396 0.1279 0.0409 -0.0543 -0.0254 388 ARG H CA 1630 C C . ARG B 68 ? 0.2311 0.2749 0.1405 0.0400 -0.0404 -0.0415 388 ARG H C 1631 O O . ARG B 68 ? 0.2543 0.3167 0.1439 0.0680 -0.0391 -0.0190 388 ARG H O 1632 C CB . ARG B 68 ? 0.1686 0.2507 0.1246 0.0327 -0.0438 -0.0087 388 ARG H CB 1633 C CG . ARG B 68 ? 0.1775 0.2817 0.1369 0.0280 -0.0224 -0.0159 388 ARG H CG 1634 C CD . ARG B 68 ? 0.2100 0.3019 0.1805 0.0548 -0.0235 -0.0061 388 ARG H CD 1635 N NE . ARG B 68 ? 0.2304 0.2982 0.1862 0.0430 -0.0346 0.0149 388 ARG H NE 1636 C CZ . ARG B 68 ? 0.2625 0.3330 0.2188 0.0822 -0.0544 -0.0144 388 ARG H CZ 1637 N NH1 . ARG B 68 ? 0.2966 0.3555 0.2554 0.0934 -0.0955 -0.0418 388 ARG H NH1 1638 N NH2 . ARG B 68 ? 0.2934 0.3886 0.2290 0.0774 -0.0431 0.0172 388 ARG H NH2 1652 N N . THR B 69 ? 0.2305 0.2897 0.1129 0.0446 -0.0441 -0.0477 389 THR H N 1653 C CA . THR B 69 ? 0.2826 0.3092 0.1312 0.0788 -0.0557 -0.0452 389 THR H CA 1654 C C . THR B 69 ? 0.2829 0.3305 0.1358 0.0718 -0.0549 -0.0757 389 THR H C 1655 O O . THR B 69 ? 0.3616 0.3533 0.1538 0.0531 -0.0412 -0.0783 389 THR H O 1656 C CB . THR B 69 ? 0.3228 0.3487 0.2022 0.0854 -0.0828 -0.0633 389 THR H CB 1657 O OG1 . THR B 69 ? 0.2970 0.3964 0.2838 0.0961 -0.1218 -0.0825 389 THR H OG1 1658 C CG2 . THR B 69 ? 0.3494 0.3416 0.2186 0.0708 -0.1019 -0.0362 389 THR H CG2 1666 N N . ARG B 70 ? 0.2371 0.3200 0.1573 0.0461 -0.0760 -0.0844 390 ARG H N 1667 C CA . ARG B 70 ? 0.2615 0.3335 0.1876 0.0356 -0.0783 -0.0791 390 ARG H CA 1668 C C . ARG B 70 ? 0.2223 0.3055 0.1661 0.0027 -0.0556 -0.0923 390 ARG H C 1669 O O . ARG B 70 ? 0.2226 0.2830 0.1584 -0.0073 -0.0779 -0.0710 390 ARG H O 1670 C CB . ARG B 70 ? 0.2993 0.3790 0.2443 -0.0037 -0.0781 -0.1018 390 ARG H CB 1671 C CG . ARG B 70 ? 0.4283 0.4750 0.3339 -0.0378 -0.0516 -0.0842 390 ARG H CG 1672 C CD . ARG B 70 ? 0.5002 0.5630 0.4155 -0.0566 -0.0495 -0.0553 390 ARG H CD 1673 N NE . ARG B 70 ? 0.5415 0.6074 0.4691 -0.0908 -0.0694 -0.0464 390 ARG H NE 1674 C CZ . ARG B 70 ? 0.5768 0.6305 0.5050 -0.1131 -0.0791 -0.0611 390 ARG H CZ 1675 N NH1 . ARG B 70 ? 0.5722 0.6398 0.5194 -0.1602 -0.0962 -0.0636 390 ARG H NH1 1676 N NH2 . ARG B 70 ? 0.6126 0.6469 0.5202 -0.0853 -0.0675 -0.0659 390 ARG H NH2 1690 N N . TYR B 71 ? 0.2358 0.3223 0.1637 0.0351 -0.0823 -0.0818 391 TYR H N 1691 C CA . TYR B 71 ? 0.2001 0.3213 0.1868 0.0073 -0.0665 -0.1039 391 TYR H CA 1692 C C . TYR B 71 ? 0.2224 0.3035 0.2103 -0.0212 -0.0772 -0.1024 391 TYR H C 1693 O O . TYR B 71 ? 0.2589 0.3828 0.2341 -0.0686 -0.1010 -0.0774 391 TYR H O 1694 C CB . TYR B 71 ? 0.2535 0.3439 0.2114 0.0181 -0.0442 -0.1456 391 TYR H CB 1695 C CG . TYR B 71 ? 0.2717 0.3448 0.2640 0.0099 -0.0181 -0.1675 391 TYR H CG 1696 C CD1 . TYR B 71 ? 0.3144 0.3600 0.3041 0.0226 -0.0175 -0.1361 391 TYR H CD1 1697 C CD2 . TYR B 71 ? 0.2893 0.3519 0.3259 0.0108 0.0207 -0.1730 391 TYR H CD2 1698 C CE1 . TYR B 71 ? 0.3487 0.3404 0.3583 0.0445 0.0326 -0.1380 391 TYR H CE1 1699 C CE2 . TYR B 71 ? 0.3418 0.3454 0.3760 0.0268 0.0208 -0.1593 391 TYR H CE2 1700 C CZ . TYR B 71 ? 0.3624 0.3425 0.3961 0.0491 0.0580 -0.1451 391 TYR H CZ 1701 O OH . TYR B 71 ? 0.4202 0.3334 0.4720 0.0498 0.0664 -0.1121 391 TYR H OH 1711 N N . GLU B 72 ? 0.1944 0.2417 0.1968 -0.0104 -0.0372 -0.0936 392 GLU H N 1712 C CA . GLU B 72 ? 0.1789 0.2435 0.1975 -0.0265 -0.0552 -0.0937 392 GLU H CA 1713 C C . GLU B 72 ? 0.2102 0.2378 0.2228 -0.0309 -0.0626 -0.1074 392 GLU H C 1714 O O . GLU B 72 ? 0.2354 0.2257 0.2183 -0.0346 -0.0743 -0.0982 392 GLU H O 1715 C CB . GLU B 72 ? 0.1905 0.2369 0.1769 -0.0394 -0.0296 -0.0733 392 GLU H CB 1716 C CG . GLU B 72 ? 0.1810 0.2495 0.1765 -0.0286 -0.0544 -0.0861 392 GLU H CG 1717 C CD . GLU B 72 ? 0.1626 0.2208 0.1786 -0.0215 -0.0611 -0.0727 392 GLU H CD 1718 O OE1 . GLU B 72 ? 0.1610 0.2244 0.1731 -0.0298 -0.0542 -0.0777 392 GLU H OE1 1719 O OE2 . GLU B 72 ? 0.1990 0.2525 0.1992 -0.0428 -0.0251 -0.1052 392 GLU H OE2 1726 N N . ARG B 73 ? 0.2389 0.2409 0.2409 0.0128 -0.0850 -0.1167 393 ARG H N 1727 C CA . ARG B 73 ? 0.2783 0.2993 0.2685 0.0319 -0.0715 -0.1581 393 ARG H CA 1728 C C . ARG B 73 ? 0.3025 0.3201 0.3250 -0.0341 -0.0773 -0.1638 393 ARG H C 1729 O O . ARG B 73 ? 0.2777 0.3227 0.3797 -0.0135 -0.0520 -0.1745 393 ARG H O 1730 C CB . ARG B 73 ? 0.3702 0.3453 0.2768 0.0336 -0.0661 -0.1733 393 ARG H CB 1731 C CG . ARG B 73 ? 0.4399 0.4028 0.3040 0.0460 -0.0722 -0.1933 393 ARG H CG 1732 C CD . ARG B 73 ? 0.4932 0.4424 0.3317 0.0481 -0.0995 -0.2057 393 ARG H CD 1733 N NE . ARG B 73 ? 0.4672 0.4646 0.3545 0.0294 -0.1345 -0.2032 393 ARG H NE 1734 C CZ . ARG B 73 ? 0.5155 0.5042 0.3765 -0.0217 -0.1097 -0.1984 393 ARG H CZ 1735 N NH1 . ARG B 73 ? 0.4875 0.4938 0.3730 -0.0150 -0.0875 -0.1877 393 ARG H NH1 1736 N NH2 . ARG B 73 ? 0.5494 0.5422 0.4121 -0.0737 -0.0899 -0.1524 393 ARG H NH2 1750 N N . ASN B 74 ? 0.3335 0.3249 0.3384 -0.1108 -0.0869 -0.1211 394 ASN H N 1751 C CA . ASN B 74 ? 0.4751 0.4366 0.4224 -0.1109 -0.0893 -0.0960 394 ASN H CA 1752 C C . ASN B 74 ? 0.4776 0.4169 0.4212 -0.1226 -0.1110 -0.0375 394 ASN H C 1753 O O . ASN B 74 ? 0.4917 0.3880 0.4427 -0.1678 -0.1740 -0.0621 394 ASN H O 1754 C CB . ASN B 74 ? 0.5031 0.5138 0.4628 -0.1124 -0.1174 -0.0942 394 ASN H CB 1755 C CG . ASN B 74 ? 0.4814 0.5204 0.4501 -0.1400 -0.1414 -0.1117 394 ASN H CG 1756 O OD1 . ASN B 74 ? 0.5776 0.5964 0.4918 -0.1135 -0.1152 -0.0979 394 ASN H OD1 1757 N ND2 . ASN B 74 ? 0.3223 0.3907 0.3683 -0.1323 -0.1047 -0.1097 394 ASN H ND2 1764 N N . ILE B 75 ? 0.3613 0.3676 0.3558 -0.1592 -0.1065 -0.0117 395 ILE H N 1765 C CA . ILE B 75 ? 0.2770 0.3034 0.2844 -0.1295 -0.0384 -0.0221 395 ILE H CA 1766 C C . ILE B 75 ? 0.2139 0.2267 0.1894 -0.0791 -0.0357 -0.0265 395 ILE H C 1767 O O . ILE B 75 ? 0.2208 0.2314 0.2206 -0.0790 -0.0666 0.0262 395 ILE H O 1768 C CB . ILE B 75 ? 0.2751 0.3789 0.3543 -0.1252 0.0315 -0.0073 395 ILE H CB 1769 C CG1 . ILE B 75 ? 0.3221 0.3802 0.3360 -0.0977 0.0374 -0.1051 395 ILE H CG1 1770 C CG2 . ILE B 75 ? 0.3214 0.4068 0.4222 -0.1168 0.0587 0.0290 395 ILE H CG2 1771 C CD1 . ILE B 75 ? 0.4056 0.4312 0.3709 -0.0931 0.0156 -0.0519 395 ILE H CD1 1783 N N . GLU B 76 ? 0.1691 0.2062 0.1498 -0.0423 -0.0232 -0.0413 396 GLU H N 1784 C CA . GLU B 76 ? 0.1570 0.2022 0.1514 -0.0249 -0.0141 -0.0133 396 GLU H CA 1785 C C . GLU B 76 ? 0.1621 0.1677 0.1287 -0.0265 -0.0301 -0.0450 396 GLU H C 1786 O O . GLU B 76 ? 0.1948 0.1679 0.1718 -0.0360 -0.0246 -0.0666 396 GLU H O 1787 C CB . GLU B 76 ? 0.2060 0.1983 0.1608 0.0027 -0.0319 -0.0319 396 GLU H CB 1788 C CG . GLU B 76 ? 0.2003 0.1984 0.1715 0.0106 -0.0493 -0.0319 396 GLU H CG 1789 C CD . GLU B 76 ? 0.1811 0.2047 0.1735 -0.0086 -0.0451 -0.0217 396 GLU H CD 1790 O OE1 . GLU B 76 ? 0.2130 0.1992 0.1921 0.0152 -0.0166 -0.0406 396 GLU H OE1 1791 O OE2 . GLU B 76 ? 0.1871 0.2173 0.1688 0.0039 -0.0559 -0.0379 396 GLU H OE2 1798 N N . LYS B 77 ? 0.1756 0.1537 0.1352 -0.0283 -0.0201 -0.0530 397 LYS H N 1799 C CA A LYS B 77 ? 0.2101 0.1610 0.1360 -0.0155 -0.0097 -0.0443 397 LYS H CA 1800 C CA B LYS B 77 ? 0.1823 0.1741 0.1324 -0.0048 -0.0002 -0.0375 397 LYS H CA 1801 C C . LYS B 77 ? 0.1821 0.1622 0.1108 -0.0175 0.0043 -0.0469 397 LYS H C 1802 O O . LYS B 77 ? 0.1994 0.1505 0.1241 -0.0313 0.0253 -0.0664 397 LYS H O 1803 C CB A LYS B 77 ? 0.2522 0.1701 0.1598 -0.0159 -0.0160 -0.0411 397 LYS H CB 1804 C CB B LYS B 77 ? 0.1911 0.2098 0.1443 0.0081 0.0118 -0.0307 397 LYS H CB 1805 C CG A LYS B 77 ? 0.3022 0.1746 0.1741 -0.0428 -0.0306 -0.0737 397 LYS H CG 1806 C CG B LYS B 77 ? 0.2364 0.2372 0.1764 0.0113 0.0147 -0.0288 397 LYS H CG 1807 C CD A LYS B 77 ? 0.3482 0.2085 0.2023 -0.0373 -0.0222 -0.0751 397 LYS H CD 1808 C CD B LYS B 77 ? 0.2747 0.2492 0.2201 0.0167 0.0026 -0.0588 397 LYS H CD 1809 C CE A LYS B 77 ? 0.3936 0.2481 0.2368 -0.0673 -0.0161 -0.1140 397 LYS H CE 1810 C CE B LYS B 77 ? 0.3351 0.2779 0.2558 0.0260 0.0000 -0.1023 397 LYS H CE 1811 N NZ A LYS B 77 ? 0.4348 0.2843 0.2502 -0.0863 -0.0053 -0.1310 397 LYS H NZ 1812 N NZ B LYS B 77 ? 0.3974 0.2543 0.2516 0.0156 -0.0344 -0.1193 397 LYS H NZ 1838 N N . ILE B 78 ? 0.2047 0.1426 0.1121 -0.0246 0.0060 -0.0635 398 ILE H N 1839 C CA . ILE B 78 ? 0.1921 0.1570 0.1148 -0.0194 0.0222 -0.0415 398 ILE H CA 1840 C C . ILE B 78 ? 0.1992 0.1691 0.1082 -0.0182 0.0101 -0.0639 398 ILE H C 1841 O O . ILE B 78 ? 0.2149 0.1570 0.1745 -0.0171 0.0089 -0.0838 398 ILE H O 1842 C CB . ILE B 78 ? 0.2030 0.1855 0.1348 -0.0282 0.0053 -0.0241 398 ILE H CB 1843 C CG1 . ILE B 78 ? 0.2152 0.2432 0.1464 -0.0104 -0.0173 -0.0380 398 ILE H CG1 1844 C CG2 . ILE B 78 ? 0.2528 0.1926 0.1640 -0.0194 0.0083 -0.0085 398 ILE H CG2 1845 C CD1 . ILE B 78 ? 0.2310 0.3000 0.2049 -0.0074 -0.0081 -0.0002 398 ILE H CD1 1857 N N . SER B 79 ? 0.1849 0.1668 0.1448 -0.0209 0.0185 -0.0649 399 SER H N 1858 C CA . SER B 79 ? 0.2051 0.1642 0.1533 -0.0337 0.0104 -0.0659 399 SER H CA 1859 C C . SER B 79 ? 0.1683 0.1545 0.1462 0.0008 -0.0110 -0.0743 399 SER H C 1860 O O . SER B 79 ? 0.2026 0.1599 0.1369 -0.0041 0.0210 -0.0565 399 SER H O 1861 C CB . SER B 79 ? 0.1967 0.1731 0.1801 0.0038 0.0178 -0.0394 399 SER H CB 1862 O OG . SER B 79 ? 0.2275 0.2330 0.1926 0.0279 0.0128 0.0004 399 SER H OG 1868 N N . MET B 80 ? 0.1732 0.1716 0.1609 0.0125 0.0044 -0.0750 400 MET H N 1869 C CA A MET B 80 ? 0.1722 0.2304 0.1336 -0.0110 0.0030 -0.0753 400 MET H CA 1870 C CA B MET B 80 ? 0.1507 0.2159 0.1337 -0.0143 -0.0083 -0.0861 400 MET H CA 1871 C C . MET B 80 ? 0.1493 0.2263 0.1169 0.0008 0.0201 -0.0802 400 MET H C 1872 O O . MET B 80 ? 0.1808 0.1991 0.1473 0.0172 -0.0073 -0.0785 400 MET H O 1873 C CB A MET B 80 ? 0.2046 0.2854 0.1314 -0.0367 -0.0002 -0.0701 400 MET H CB 1874 C CB B MET B 80 ? 0.1779 0.2438 0.1450 -0.0014 -0.0027 -0.1049 400 MET H CB 1875 C CG A MET B 80 ? 0.2283 0.3416 0.1438 -0.0644 -0.0107 -0.0717 400 MET H CG 1876 C CG B MET B 80 ? 0.2081 0.3049 0.2080 0.0388 -0.0291 -0.1348 400 MET H CG 1877 S SD A MET B 80 ? 0.2654 0.3984 0.1537 -0.0920 -0.0207 -0.0774 400 MET H SD 1878 S SD B MET B 80 ? 0.2780 0.3561 0.2246 0.0786 -0.0719 -0.1477 400 MET H SD 1879 C CE A MET B 80 ? 0.3079 0.4168 0.1828 -0.0894 -0.0197 -0.0497 400 MET H CE 1880 C CE B MET B 80 ? 0.3097 0.3321 0.2988 0.0747 -0.0133 -0.1761 400 MET H CE 1898 N N . LEU B 81 ? 0.1507 0.2561 0.1182 -0.0085 0.0194 -0.0758 401 LEU H N 1899 C CA A LEU B 81 ? 0.1362 0.2805 0.1360 -0.0124 -0.0087 -0.0740 401 LEU H CA 1900 C CA B LEU B 81 ? 0.1515 0.2861 0.1357 -0.0202 -0.0177 -0.0704 401 LEU H CA 1901 C C . LEU B 81 ? 0.1579 0.2922 0.1302 -0.0066 0.0142 -0.0896 401 LEU H C 1902 O O . LEU B 81 ? 0.1827 0.3234 0.1335 -0.0122 0.0356 -0.0675 401 LEU H O 1903 C CB A LEU B 81 ? 0.1434 0.2715 0.1692 -0.0155 0.0087 -0.0889 401 LEU H CB 1904 C CB B LEU B 81 ? 0.1843 0.2910 0.1692 -0.0346 -0.0195 -0.0758 401 LEU H CB 1905 C CG A LEU B 81 ? 0.1360 0.2589 0.1799 -0.0151 0.0255 -0.0946 401 LEU H CG 1906 C CG B LEU B 81 ? 0.2044 0.2958 0.1796 -0.0441 -0.0129 -0.0932 401 LEU H CG 1907 C CD1 A LEU B 81 ? 0.1554 0.2388 0.2086 -0.0162 0.0149 -0.0989 401 LEU H CD1 1908 C CD1 B LEU B 81 ? 0.2290 0.3213 0.1807 -0.0498 -0.0164 -0.0664 401 LEU H CD1 1909 C CD2 A LEU B 81 ? 0.1317 0.2691 0.1831 -0.0133 0.0379 -0.0626 401 LEU H CD2 1910 C CD2 B LEU B 81 ? 0.1852 0.2609 0.1852 -0.0399 0.0343 -0.1244 401 LEU H CD2 1932 N N . GLU B 82 ? 0.1298 0.2850 0.1526 -0.0228 0.0345 -0.0979 402 GLU H N 1933 C CA A GLU B 82 ? 0.1562 0.3166 0.1876 -0.0145 0.0190 -0.1115 402 GLU H CA 1934 C CA B GLU B 82 ? 0.1482 0.3044 0.1763 -0.0107 0.0236 -0.1146 402 GLU H CA 1935 C C . GLU B 82 ? 0.1449 0.3036 0.1669 -0.0024 0.0183 -0.1117 402 GLU H C 1936 O O . GLU B 82 ? 0.1609 0.3669 0.1724 -0.0342 0.0423 -0.1131 402 GLU H O 1937 C CB A GLU B 82 ? 0.1970 0.3294 0.2330 -0.0075 0.0182 -0.1294 402 GLU H CB 1938 C CB B GLU B 82 ? 0.1693 0.2964 0.2015 0.0028 0.0280 -0.1334 402 GLU H CB 1939 C CG A GLU B 82 ? 0.2357 0.3683 0.2840 0.0108 0.0049 -0.1063 402 GLU H CG 1940 C CG B GLU B 82 ? 0.1881 0.3193 0.2332 0.0271 0.0214 -0.1116 402 GLU H CG 1941 C CD A GLU B 82 ? 0.2963 0.3983 0.3246 0.0002 -0.0098 -0.1094 402 GLU H CD 1942 C CD B GLU B 82 ? 0.2320 0.3351 0.2629 0.0380 0.0266 -0.1236 402 GLU H CD 1943 O OE1 A GLU B 82 ? 0.3499 0.3599 0.3433 0.0088 -0.0487 -0.1213 402 GLU H OE1 1944 O OE1 B GLU B 82 ? 0.3089 0.3289 0.2751 0.0319 0.0601 -0.1594 402 GLU H OE1 1945 O OE2 A GLU B 82 ? 0.3397 0.4242 0.3137 -0.0099 -0.0379 -0.1352 402 GLU H OE2 1946 O OE2 B GLU B 82 ? 0.1967 0.3478 0.2888 0.0490 0.0319 -0.1015 402 GLU H OE2 1958 N N . LYS B 83 ? 0.1708 0.2516 0.1303 -0.0116 0.0237 -0.0829 403 LYS H N 1959 C CA . LYS B 83 ? 0.1369 0.2445 0.1424 0.0240 0.0328 -0.0782 403 LYS H CA 1960 C C . LYS B 83 ? 0.1243 0.2325 0.1348 0.0023 0.0338 -0.0619 403 LYS H C 1961 O O . LYS B 83 ? 0.1714 0.2179 0.1472 0.0015 0.0735 -0.0425 403 LYS H O 1962 C CB . LYS B 83 ? 0.1664 0.2556 0.1823 0.0125 0.0299 -0.0804 403 LYS H CB 1963 C CG . LYS B 83 ? 0.1891 0.3219 0.2413 -0.0195 0.0357 -0.0939 403 LYS H CG 1964 C CD . LYS B 83 ? 0.2738 0.3779 0.3572 -0.0619 0.0631 -0.0428 403 LYS H CD 1965 C CE . LYS B 83 ? 0.3988 0.4614 0.4147 -0.0742 0.0721 -0.0189 403 LYS H CE 1966 N NZ . LYS B 83 ? 0.4964 0.5137 0.4468 -0.0580 0.0738 0.0015 403 LYS H NZ 1980 N N . ILE B 84 ? 0.1383 0.2233 0.1156 -0.0231 0.0340 -0.0631 404 ILE H N 1981 C CA . ILE B 84 ? 0.1573 0.2281 0.1139 0.0032 0.0145 -0.0567 404 ILE H CA 1982 C C . ILE B 84 ? 0.1447 0.2131 0.1275 -0.0063 0.0560 -0.0632 404 ILE H C 1983 O O . ILE B 84 ? 0.1446 0.2496 0.1386 -0.0106 0.0543 -0.0680 404 ILE H O 1984 C CB . ILE B 84 ? 0.1732 0.2404 0.1412 -0.0033 -0.0127 -0.0732 404 ILE H CB 1985 C CG1 . ILE B 84 ? 0.1815 0.2902 0.1510 0.0165 0.0084 -0.0667 404 ILE H CG1 1986 C CG2 . ILE B 84 ? 0.2211 0.2287 0.1589 -0.0117 0.0016 -0.0386 404 ILE H CG2 1987 C CD1 . ILE B 84 ? 0.2335 0.2892 0.1831 0.0180 0.0037 -0.0506 404 ILE H CD1 1999 N N . TYR B 85 ? 0.1091 0.1762 0.1383 -0.0132 0.0503 -0.0547 405 TYR H N 2000 C CA . TYR B 85 ? 0.1188 0.1642 0.1495 0.0022 0.0415 -0.0490 405 TYR H CA 2001 C C . TYR B 85 ? 0.0994 0.1595 0.1568 -0.0176 0.0380 -0.0358 405 TYR H C 2002 O O . TYR B 85 ? 0.1215 0.1648 0.1682 -0.0308 0.0703 -0.0409 405 TYR H O 2003 C CB . TYR B 85 ? 0.1373 0.1622 0.1652 0.0061 0.0369 -0.0497 405 TYR H CB 2004 C CG . TYR B 85 ? 0.1292 0.1997 0.1874 0.0275 0.0328 -0.0634 405 TYR H CG 2005 C CD1 . TYR B 85 ? 0.1777 0.1857 0.1558 0.0127 0.0302 -0.0566 405 TYR H CD1 2006 C CD2 . TYR B 85 ? 0.1371 0.2471 0.2090 0.0285 0.0123 -0.0832 405 TYR H CD2 2007 C CE1 . TYR B 85 ? 0.2587 0.2029 0.1648 0.0279 0.0288 -0.0677 405 TYR H CE1 2008 C CE2 . TYR B 85 ? 0.1906 0.2422 0.2390 0.0646 0.0130 -0.0930 405 TYR H CE2 2009 C CZ . TYR B 85 ? 0.2683 0.2059 0.2169 0.0682 0.0207 -0.0906 405 TYR H CZ 2010 O OH . TYR B 85 ? 0.3744 0.2290 0.2545 0.1044 0.0097 -0.0920 405 TYR H OH 2020 N N . ILE B 86 ? 0.1080 0.1757 0.1502 -0.0166 0.0680 -0.0337 406 ILE H N 2021 C CA . ILE B 86 ? 0.1159 0.1692 0.1622 -0.0048 0.0443 -0.0383 406 ILE H CA 2022 C C . ILE B 86 ? 0.1126 0.1448 0.1513 -0.0058 0.0304 -0.0310 406 ILE H C 2023 O O . ILE B 86 ? 0.1069 0.1874 0.1815 -0.0068 0.0437 -0.0545 406 ILE H O 2024 C CB . ILE B 86 ? 0.1583 0.1900 0.1641 0.0012 0.0072 -0.0515 406 ILE H CB 2025 C CG1 . ILE B 86 ? 0.3414 0.2078 0.1842 0.0021 -0.0039 -0.0366 406 ILE H CG1 2026 C CG2 . ILE B 86 ? 0.1860 0.1758 0.1593 -0.0067 0.0179 -0.0145 406 ILE H CG2 2027 C CD1 . ILE B 86 ? 0.3736 0.2582 0.2010 -0.0422 0.0843 -0.0301 406 ILE H CD1 2039 N N . HIS B 87 ? 0.0984 0.1398 0.1592 -0.0097 0.0326 -0.0333 407 HIS H N 2040 C CA . HIS B 87 ? 0.1008 0.1590 0.1438 -0.0189 0.0389 -0.0318 407 HIS H CA 2041 C C . HIS B 87 ? 0.0928 0.1757 0.1747 -0.0169 0.0412 -0.0399 407 HIS H C 2042 O O . HIS B 87 ? 0.1143 0.1723 0.1645 -0.0243 0.0489 -0.0306 407 HIS H O 2043 C CB . HIS B 87 ? 0.1060 0.1635 0.1520 -0.0004 0.0299 -0.0183 407 HIS H CB 2044 C CG . HIS B 87 ? 0.1117 0.1540 0.1643 -0.0106 0.0288 -0.0250 407 HIS H CG 2045 N ND1 . HIS B 87 ? 0.1160 0.1752 0.1714 0.0083 0.0285 -0.0205 407 HIS H ND1 2046 C CD2 . HIS B 87 ? 0.1828 0.1519 0.1518 -0.0139 0.0477 -0.0324 407 HIS H CD2 2047 C CE1 . HIS B 87 ? 0.1620 0.1877 0.2034 -0.0074 0.0113 -0.0283 407 HIS H CE1 2048 N NE2 . HIS B 87 ? 0.1698 0.1659 0.1904 -0.0009 -0.0034 -0.0258 407 HIS H NE2 2057 N N . PRO B 88 ? 0.0982 0.1934 0.2182 -0.0183 0.0522 -0.0446 408 PRO H N 2058 C CA . PRO B 88 ? 0.1020 0.2239 0.2349 -0.0270 0.0627 -0.0540 408 PRO H CA 2059 C C . PRO B 88 ? 0.1118 0.2324 0.2030 -0.0553 0.0583 -0.0601 408 PRO H C 2060 O O . PRO B 88 ? 0.1849 0.2406 0.2325 -0.0900 0.0924 -0.0439 408 PRO H O 2061 C CB . PRO B 88 ? 0.1390 0.2794 0.2749 0.0017 0.0728 -0.0466 408 PRO H CB 2062 C CG . PRO B 88 ? 0.1389 0.2789 0.3007 0.0166 0.0242 0.0001 408 PRO H CG 2063 C CD . PRO B 88 ? 0.1057 0.2066 0.2658 0.0068 0.0370 -0.0318 408 PRO H CD 2071 N N . ARG B 89 ? 0.0957 0.2069 0.1733 -0.0360 0.0308 -0.0242 409 ARG H N 2072 C CA . ARG B 89 ? 0.1164 0.1930 0.1927 -0.0467 0.0330 -0.0399 409 ARG H CA 2073 C C . ARG B 89 ? 0.1189 0.1677 0.1784 -0.0507 0.0214 -0.0364 409 ARG H C 2074 O O . ARG B 89 ? 0.1584 0.1885 0.1908 -0.0441 0.0169 -0.0605 409 ARG H O 2075 C CB . ARG B 89 ? 0.1323 0.2394 0.2179 -0.0220 -0.0082 -0.0292 409 ARG H CB 2076 C CG . ARG B 89 ? 0.1564 0.3222 0.2670 -0.0083 -0.0265 -0.0621 409 ARG H CG 2077 C CD . ARG B 89 ? 0.2400 0.3928 0.3491 0.0278 -0.0431 -0.0812 409 ARG H CD 2078 N NE . ARG B 89 ? 0.2879 0.4518 0.3792 0.0366 -0.0671 -0.1131 409 ARG H NE 2079 C CZ . ARG B 89 ? 0.4000 0.4672 0.4041 0.0185 -0.0512 -0.1564 409 ARG H CZ 2080 N NH1 . ARG B 89 ? 0.4599 0.4597 0.4348 -0.0064 -0.0477 -0.1754 409 ARG H NH1 2081 N NH2 . ARG B 89 ? 0.4348 0.4950 0.4170 -0.0080 -0.0594 -0.1336 409 ARG H NH2 2095 N N . TYR B 90 ? 0.1057 0.1712 0.1492 -0.0400 0.0331 -0.0243 410 TYR H N 2096 C CA . TYR B 90 ? 0.1293 0.1426 0.1357 -0.0553 0.0355 -0.0147 410 TYR H CA 2097 C C . TYR B 90 ? 0.1361 0.1554 0.1273 -0.0610 0.0298 0.0067 410 TYR H C 2098 O O . TYR B 90 ? 0.1908 0.1633 0.1484 -0.0567 0.0560 -0.0049 410 TYR H O 2099 C CB . TYR B 90 ? 0.1243 0.1547 0.1467 -0.0244 0.0166 -0.0195 410 TYR H CB 2100 C CG . TYR B 90 ? 0.0956 0.1521 0.1249 -0.0271 0.0329 -0.0163 410 TYR H CG 2101 C CD1 . TYR B 90 ? 0.1133 0.1367 0.1114 -0.0426 0.0145 -0.0013 410 TYR H CD1 2102 C CD2 . TYR B 90 ? 0.1172 0.1552 0.1203 -0.0438 0.0264 -0.0179 410 TYR H CD2 2103 C CE1 . TYR B 90 ? 0.1177 0.1508 0.1158 -0.0439 0.0254 -0.0086 410 TYR H CE1 2104 C CE2 . TYR B 90 ? 0.1330 0.1786 0.1049 -0.0410 0.0158 -0.0032 410 TYR H CE2 2105 C CZ . TYR B 90 ? 0.1325 0.1490 0.1215 -0.0268 0.0127 -0.0015 410 TYR H CZ 2106 O OH . TYR B 90 ? 0.1327 0.1708 0.1268 -0.0348 0.0282 0.0039 410 TYR H OH 2116 N N . ASN B 91 ? 0.1290 0.1290 0.1219 -0.0423 0.0288 0.0059 411 ASN H N 2117 C CA . ASN B 91 ? 0.1232 0.1349 0.1502 -0.0400 0.0316 0.0100 411 ASN H CA 2118 C C . ASN B 91 ? 0.1485 0.1385 0.1540 -0.0430 0.0375 0.0066 411 ASN H C 2119 O O . ASN B 91 ? 0.1650 0.2096 0.1496 -0.0210 -0.0022 0.0085 411 ASN H O 2120 C CB . ASN B 91 ? 0.1524 0.1153 0.1703 -0.0544 0.0179 0.0197 411 ASN H CB 2121 C CG . ASN B 91 ? 0.1787 0.1458 0.1827 -0.0341 -0.0097 0.0308 411 ASN H CG 2122 O OD1 . ASN B 91 ? 0.2604 0.1647 0.2011 -0.0840 0.0316 0.0333 411 ASN H OD1 2123 N ND2 . ASN B 91 ? 0.1703 0.1618 0.2070 -0.0686 -0.0017 -0.0012 411 ASN H ND2 2130 N N . TRP B 92 ? 0.1360 0.1765 0.1671 -0.0718 0.0208 -0.0096 412 TRP H N 2131 C CA . TRP B 92 ? 0.1788 0.1988 0.1681 -0.0950 -0.0076 0.0305 412 TRP H CA 2132 C C . TRP B 92 ? 0.1855 0.2082 0.1813 -0.0938 0.0058 0.0476 412 TRP H C 2133 O O . TRP B 92 ? 0.2158 0.2196 0.2332 -0.0653 -0.0531 0.0670 412 TRP H O 2134 C CB . TRP B 92 ? 0.2360 0.2392 0.1638 -0.1017 0.0013 0.0170 412 TRP H CB 2135 C CG . TRP B 92 ? 0.3301 0.3055 0.1647 -0.1053 0.0173 0.0112 412 TRP H CG 2136 C CD1 . TRP B 92 ? 0.3269 0.3262 0.1861 -0.1228 0.0788 0.0169 412 TRP H CD1 2137 C CD2 . TRP B 92 ? 0.3827 0.3234 0.2207 -0.1112 0.0475 0.0554 412 TRP H CD2 2138 N NE1 . TRP B 92 ? 0.4138 0.3556 0.2173 -0.1121 0.0894 0.0317 412 TRP H NE1 2139 C CE2 . TRP B 92 ? 0.4249 0.3669 0.2302 -0.1026 0.1084 0.0744 412 TRP H CE2 2140 C CE3 . TRP B 92 ? 0.4360 0.3168 0.2303 -0.1126 0.0431 0.1046 412 TRP H CE3 2141 C CZ2 . TRP B 92 ? 0.4693 0.4042 0.2597 -0.0986 0.1210 0.0956 412 TRP H CZ2 2142 C CZ3 . TRP B 92 ? 0.4707 0.3723 0.2597 -0.1037 0.0909 0.1044 412 TRP H CZ3 2143 C CH2 . TRP B 92 ? 0.4716 0.3957 0.2873 -0.1024 0.1264 0.1033 412 TRP H CH2 2154 N N . ARG B 93 ? 0.2289 0.2083 0.2060 -0.1059 0.0083 0.0676 413 ARG H N 2155 C CA . ARG B 93 ? 0.3067 0.2122 0.2270 -0.1295 0.0128 0.0534 413 ARG H CA 2156 C C . ARG B 93 ? 0.3052 0.1717 0.2267 -0.1073 -0.0084 0.0591 413 ARG H C 2157 O O . ARG B 93 ? 0.3737 0.1956 0.2565 -0.0868 -0.0075 0.0733 413 ARG H O 2158 C CB . ARG B 93 ? 0.3706 0.2695 0.2929 -0.1618 0.0781 0.0189 413 ARG H CB 2159 C CG . ARG B 93 ? 0.4375 0.3818 0.3639 -0.1289 0.1203 0.0189 413 ARG H CG 2160 C CD . ARG B 93 ? 0.4379 0.4009 0.4066 -0.1667 0.1221 0.0051 413 ARG H CD 2161 N NE . ARG B 93 ? 0.4104 0.4183 0.4263 -0.1801 0.1395 -0.0067 413 ARG H NE 2162 C CZ . ARG B 93 ? 0.3878 0.3780 0.4163 -0.1812 0.1307 0.0315 413 ARG H CZ 2163 N NH1 . ARG B 93 ? 0.3987 0.3634 0.4087 -0.1349 0.1160 0.0601 413 ARG H NH1 2164 N NH2 . ARG B 93 ? 0.3708 0.3503 0.4193 -0.1624 0.1289 0.0414 413 ARG H NH2 2178 N N . GLU B 94 ? 0.2394 0.1792 0.2299 -0.1148 -0.0163 0.0435 414 GLU H N 2179 C CA . GLU B 94 ? 0.1974 0.1471 0.2175 -0.0766 -0.0151 0.0539 414 GLU H CA 2180 C C . GLU B 94 ? 0.1715 0.1469 0.2364 -0.0302 -0.0331 0.0531 414 GLU H C 2181 O O . GLU B 94 ? 0.1980 0.1712 0.3866 -0.0451 -0.0282 0.1117 414 GLU H O 2182 C CB . GLU B 94 ? 0.1979 0.1699 0.2377 -0.0469 -0.0193 0.0145 414 GLU H CB 2183 C CG . GLU B 94 ? 0.2188 0.1832 0.2210 -0.0264 -0.0263 0.0146 414 GLU H CG 2184 C CD . GLU B 94 ? 0.2521 0.1407 0.2167 -0.0365 0.0013 0.0124 414 GLU H CD 2185 O OE1 . GLU B 94 ? 0.2615 0.1457 0.2446 -0.0305 -0.0094 0.0003 414 GLU H OE1 2186 O OE2 . GLU B 94 ? 0.2409 0.1709 0.1929 0.0004 0.0065 -0.0045 414 GLU H OE2 2193 N N . ASN B 95 ? 0.1511 0.1328 0.1548 -0.0224 0.0007 0.0368 415 ASN H N 2194 C CA . ASN B 95 ? 0.1588 0.1127 0.1382 -0.0055 -0.0142 0.0015 415 ASN H CA 2195 C C . ASN B 95 ? 0.1325 0.1107 0.1312 -0.0044 -0.0157 -0.0057 415 ASN H C 2196 O O . ASN B 95 ? 0.1212 0.1310 0.1346 -0.0236 -0.0072 -0.0058 415 ASN H O 2197 C CB . ASN B 95 ? 0.1507 0.1034 0.1365 -0.0109 0.0024 0.0058 415 ASN H CB 2198 C CG . ASN B 95 ? 0.1304 0.0967 0.1437 -0.0284 0.0022 0.0122 415 ASN H CG 2199 O OD1 . ASN B 95 ? 0.1412 0.1173 0.1522 -0.0354 -0.0014 0.0110 415 ASN H OD1 2200 N ND2 . ASN B 95 ? 0.1712 0.1292 0.1343 -0.0378 -0.0239 -0.0040 415 ASN H ND2 2207 N N . LEU B 96 ? 0.1336 0.1204 0.1203 -0.0271 -0.0032 -0.0005 416 LEU H N 2208 C CA . LEU B 96 ? 0.1144 0.1199 0.1416 -0.0272 -0.0038 -0.0234 416 LEU H CA 2209 C C . LEU B 96 ? 0.1174 0.0957 0.1227 -0.0235 0.0056 -0.0178 416 LEU H C 2210 O O . LEU B 96 ? 0.1146 0.1033 0.1330 -0.0286 0.0155 -0.0209 416 LEU H O 2211 C CB . LEU B 96 ? 0.1328 0.1357 0.1270 -0.0099 -0.0122 -0.0240 416 LEU H CB 2212 C CG . LEU B 96 ? 0.1178 0.1650 0.1368 -0.0144 -0.0067 0.0163 416 LEU H CG 2213 C CD1 . LEU B 96 ? 0.1285 0.1763 0.1530 -0.0356 -0.0001 0.0461 416 LEU H CD1 2214 C CD2 . LEU B 96 ? 0.1196 0.1610 0.1342 -0.0272 0.0067 0.0076 416 LEU H CD2 2226 N N . ASP B 97 ? 0.1068 0.0984 0.1326 -0.0348 0.0041 -0.0030 417 ASP H N 2227 C CA . ASP B 97 ? 0.1245 0.0894 0.1229 -0.0281 -0.0047 -0.0033 417 ASP H CA 2228 C C . ASP B 97 ? 0.0875 0.0807 0.1225 -0.0154 -0.0021 -0.0038 417 ASP H C 2229 O O . ASP B 97 ? 0.1069 0.1265 0.1166 -0.0186 0.0243 -0.0028 417 ASP H O 2230 C CB . ASP B 97 ? 0.1146 0.0969 0.1172 -0.0297 0.0014 -0.0028 417 ASP H CB 2231 C CG . ASP B 97 ? 0.0925 0.1254 0.1407 -0.0152 0.0120 0.0030 417 ASP H CG 2232 O OD1 . ASP B 97 ? 0.1322 0.1077 0.1220 -0.0218 0.0091 -0.0148 417 ASP H OD1 2233 O OD2 . ASP B 97 ? 0.0953 0.2030 0.2015 -0.0203 -0.0051 0.0439 417 ASP H OD2 2238 N N . ARG B 98 ? 0.0984 0.0924 0.0923 -0.0157 0.0201 -0.0062 418 ARG H N 2239 C CA A ARG B 98 ? 0.0947 0.0895 0.0970 -0.0189 0.0196 0.0076 418 ARG H CA 2240 C CA B ARG B 98 ? 0.1103 0.1178 0.1136 -0.0173 0.0184 -0.0083 418 ARG H CA 2241 C CA C ARG B 98 ? 0.1009 0.1000 0.1069 -0.0249 0.0200 -0.0033 418 ARG H CA 2242 C C . ARG B 98 ? 0.0924 0.0973 0.0972 -0.0230 0.0296 -0.0032 418 ARG H C 2243 O O . ARG B 98 ? 0.0903 0.1098 0.1074 -0.0166 0.0142 -0.0181 418 ARG H O 2244 C CB A ARG B 98 ? 0.1166 0.1196 0.1213 -0.0141 0.0259 -0.0192 418 ARG H CB 2245 C CB B ARG B 98 ? 0.1434 0.1671 0.1563 -0.0098 0.0101 -0.0260 418 ARG H CB 2246 C CB C ARG B 98 ? 0.1049 0.1219 0.1358 -0.0247 0.0158 -0.0278 418 ARG H CB 2247 C CG A ARG B 98 ? 0.1541 0.2138 0.1338 0.0070 -0.0092 -0.0323 418 ARG H CG 2248 C CG B ARG B 98 ? 0.1745 0.2201 0.1908 -0.0002 -0.0068 -0.0442 418 ARG H CG 2249 C CG C ARG B 98 ? 0.0955 0.1722 0.1606 -0.0018 0.0054 -0.0331 418 ARG H CG 2250 C CD A ARG B 98 ? 0.1570 0.2819 0.1450 0.0021 -0.0030 -0.0351 418 ARG H CD 2251 C CD B ARG B 98 ? 0.1925 0.2576 0.2179 0.0013 -0.0170 -0.0534 418 ARG H CD 2252 C CD C ARG B 98 ? 0.0963 0.2035 0.1777 0.0567 0.0314 -0.0270 418 ARG H CD 2253 N NE A ARG B 98 ? 0.2076 0.2656 0.1542 -0.0326 0.0412 -0.0053 418 ARG H NE 2254 N NE B ARG B 98 ? 0.2146 0.2679 0.2373 0.0089 0.0010 -0.0604 418 ARG H NE 2255 N NE C ARG B 98 ? 0.1622 0.2648 0.2154 0.1035 0.0332 -0.0306 418 ARG H NE 2256 C CZ A ARG B 98 ? 0.1742 0.2821 0.1722 -0.0405 0.0042 -0.0836 418 ARG H CZ 2257 C CZ B ARG B 98 ? 0.1958 0.2640 0.2407 0.0171 0.0057 -0.0722 418 ARG H CZ 2258 C CZ C ARG B 98 ? 0.2051 0.3128 0.2363 0.0824 0.0357 -0.0381 418 ARG H CZ 2259 N NH1 A ARG B 98 ? 0.2043 0.2996 0.2254 0.0162 -0.0173 -0.0863 418 ARG H NH1 2260 N NH1 B ARG B 98 ? 0.1845 0.2592 0.2368 0.0476 0.0283 -0.0757 418 ARG H NH1 2261 N NH1 C ARG B 98 ? 0.2035 0.3234 0.2436 0.0940 0.0349 -0.0185 418 ARG H NH1 2262 N NH2 A ARG B 98 ? 0.2074 0.2339 0.1539 -0.0001 0.0433 -0.0737 418 ARG H NH2 2263 N NH2 B ARG B 98 ? 0.2391 0.2822 0.2531 -0.0098 0.0092 -0.0520 418 ARG H NH2 2264 N NH2 C ARG B 98 ? 0.1998 0.2865 0.2299 0.0749 -0.0285 -0.0351 418 ARG H NH2 2302 N N . ASP B 99 ? 0.0720 0.1145 0.1126 -0.0161 0.0212 -0.0136 419 ASP H N 2303 C CA . ASP B 99 ? 0.0868 0.1064 0.1056 -0.0101 0.0128 -0.0100 419 ASP H CA 2304 C C . ASP B 99 ? 0.0802 0.0904 0.0975 -0.0146 0.0168 -0.0142 419 ASP H C 2305 O O . ASP B 99 ? 0.0813 0.1099 0.0896 -0.0161 0.0118 -0.0097 419 ASP H O 2306 C CB . ASP B 99 ? 0.0959 0.0911 0.1096 -0.0263 0.0015 -0.0160 419 ASP H CB 2307 C CG . ASP B 99 ? 0.0913 0.0850 0.1167 -0.0230 0.0192 -0.0067 419 ASP H CG 2308 O OD1 . ASP B 99 ? 0.1063 0.1109 0.0990 -0.0139 0.0181 -0.0172 419 ASP H OD1 2309 O OD2 . ASP B 99 ? 0.0960 0.1083 0.0984 -0.0166 0.0111 -0.0077 419 ASP H OD2 2314 N N . ILE B 100 ? 0.0896 0.0845 0.1192 -0.0167 0.0292 -0.0256 420 ILE H N 2315 C CA . ILE B 100 ? 0.0856 0.1059 0.1091 -0.0141 0.0224 -0.0250 420 ILE H CA 2316 C C . ILE B 100 ? 0.0826 0.0997 0.1160 -0.0090 0.0330 -0.0264 420 ILE H C 2317 O O . ILE B 100 ? 0.0888 0.1062 0.1311 -0.0123 0.0341 -0.0165 420 ILE H O 2318 C CB . ILE B 100 ? 0.0709 0.1000 0.1209 -0.0045 0.0200 -0.0230 420 ILE H CB 2319 C CG1 . ILE B 100 ? 0.0882 0.1124 0.1428 -0.0160 0.0019 -0.0151 420 ILE H CG1 2320 C CG2 . ILE B 100 ? 0.0889 0.1243 0.1295 -0.0021 0.0156 -0.0146 420 ILE H CG2 2321 C CD1 . ILE B 100 ? 0.1440 0.1295 0.1535 -0.0299 -0.0294 0.0172 420 ILE H CD1 2333 N N . ALA B 101 ? 0.0792 0.1145 0.1215 -0.0126 0.0321 -0.0336 421 ALA H N 2334 C CA . ALA B 101 ? 0.0989 0.1188 0.1083 -0.0059 0.0367 -0.0312 421 ALA H CA 2335 C C . ALA B 101 ? 0.0799 0.1345 0.0830 -0.0111 0.0250 -0.0243 421 ALA H C 2336 O O . ALA B 101 ? 0.0958 0.1091 0.1209 -0.0035 0.0333 -0.0281 421 ALA H O 2337 C CB . ALA B 101 ? 0.1313 0.1401 0.1235 0.0088 0.0439 -0.0192 421 ALA H CB 2343 N N . LEU B 102 ? 0.0836 0.1316 0.1064 -0.0079 0.0395 -0.0287 422 LEU H N 2344 C CA . LEU B 102 ? 0.0925 0.1196 0.1070 -0.0132 0.0281 -0.0290 422 LEU H CA 2345 C C . LEU B 102 ? 0.0818 0.1323 0.1077 -0.0025 0.0318 -0.0395 422 LEU H C 2346 O O . LEU B 102 ? 0.1145 0.1582 0.1196 -0.0245 0.0492 -0.0478 422 LEU H O 2347 C CB . LEU B 102 ? 0.1000 0.1375 0.1211 0.0015 0.0136 -0.0271 422 LEU H CB 2348 C CG . LEU B 102 ? 0.1098 0.1481 0.1201 0.0168 0.0091 -0.0148 422 LEU H CG 2349 C CD1 . LEU B 102 ? 0.1120 0.1817 0.1489 0.0139 0.0050 -0.0503 422 LEU H CD1 2350 C CD2 . LEU B 102 ? 0.1409 0.1539 0.1185 0.0004 0.0126 -0.0085 422 LEU H CD2 2362 N N . MET B 103 ? 0.1033 0.1312 0.1154 -0.0200 0.0307 -0.0452 423 MET H N 2363 C CA . MET B 103 ? 0.1649 0.1396 0.1141 -0.0310 0.0215 -0.0691 423 MET H CA 2364 C C . MET B 103 ? 0.1468 0.1476 0.1163 -0.0140 0.0307 -0.0661 423 MET H C 2365 O O . MET B 103 ? 0.1762 0.1210 0.1567 -0.0042 0.0486 -0.0501 423 MET H O 2366 C CB . MET B 103 ? 0.2024 0.1505 0.1192 -0.0113 -0.0210 -0.0348 423 MET H CB 2367 C CG . MET B 103 ? 0.1578 0.2047 0.1711 -0.0177 0.0001 -0.0136 423 MET H CG 2368 S SD . MET B 103 ? 0.1909 0.2342 0.1650 -0.0025 0.0021 -0.0225 423 MET H SD 2369 C CE . MET B 103 ? 0.2172 0.1861 0.1849 0.0241 0.0135 -0.0279 423 MET H CE 2379 N N . LYS B 104 ? 0.1416 0.1661 0.1277 0.0013 0.0268 -0.0672 424 LYS H N 2380 C CA . LYS B 104 ? 0.1504 0.1661 0.1365 0.0045 0.0274 -0.0792 424 LYS H CA 2381 C C . LYS B 104 ? 0.1682 0.1652 0.1438 0.0306 0.0236 -0.0679 424 LYS H C 2382 O O . LYS B 104 ? 0.1750 0.2203 0.1348 0.0090 0.0314 -0.0694 424 LYS H O 2383 C CB . LYS B 104 ? 0.1556 0.1957 0.1858 0.0204 0.0089 -0.0764 424 LYS H CB 2384 C CG . LYS B 104 ? 0.1732 0.2439 0.2960 0.0630 -0.0274 -0.0456 424 LYS H CG 2385 C CD . LYS B 104 ? 0.2979 0.3253 0.3846 0.0520 -0.0121 -0.0490 424 LYS H CD 2386 C CE . LYS B 104 ? 0.3729 0.3825 0.4185 0.0964 0.0178 -0.0831 424 LYS H CE 2387 N NZ . LYS B 104 ? 0.3576 0.4130 0.4588 0.1640 0.0152 -0.0835 424 LYS H NZ 2401 N N . LEU B 105 ? 0.1639 0.1361 0.1488 0.0341 -0.0113 -0.0745 425 LEU H N 2402 C CA . LEU B 105 ? 0.1935 0.1479 0.1407 0.0128 0.0023 -0.0777 425 LEU H CA 2403 C C . LEU B 105 ? 0.1920 0.1532 0.1735 0.0042 -0.0126 -0.0896 425 LEU H C 2404 O O . LEU B 105 ? 0.2004 0.1797 0.1921 0.0441 -0.0272 -0.0948 425 LEU H O 2405 C CB . LEU B 105 ? 0.1498 0.1869 0.1657 0.0341 -0.0086 -0.0959 425 LEU H CB 2406 C CG . LEU B 105 ? 0.1937 0.2174 0.1790 0.0377 -0.0004 -0.1063 425 LEU H CG 2407 C CD1 . LEU B 105 ? 0.1948 0.3156 0.1779 0.0213 -0.0082 -0.0894 425 LEU H CD1 2408 C CD2 . LEU B 105 ? 0.2052 0.2191 0.2084 0.0683 -0.0304 -0.1157 425 LEU H CD2 2420 N N . LYS B 106 ? 0.1914 0.1730 0.1748 0.0183 0.0009 -0.1022 426 LYS H N 2421 C CA . LYS B 106 ? 0.1995 0.1854 0.2067 0.0145 0.0084 -0.1148 426 LYS H CA 2422 C C . LYS B 106 ? 0.1953 0.1708 0.2432 0.0307 0.0124 -0.1055 426 LYS H C 2423 O O . LYS B 106 ? 0.2131 0.1855 0.2931 0.0453 0.0530 -0.0999 426 LYS H O 2424 C CB . LYS B 106 ? 0.2435 0.2469 0.2126 0.0322 0.0031 -0.1324 426 LYS H CB 2425 C CG . LYS B 106 ? 0.2651 0.3043 0.1891 0.0263 0.0178 -0.1310 426 LYS H CG 2426 C CD . LYS B 106 ? 0.3557 0.3655 0.1945 0.0443 0.0437 -0.1292 426 LYS H CD 2427 C CE . LYS B 106 ? 0.4657 0.4172 0.2068 0.0792 0.0690 -0.1107 426 LYS H CE 2428 N NZ . LYS B 106 ? 0.5425 0.4643 0.2311 0.0592 0.0421 -0.0988 426 LYS H NZ 2442 N N . LYS B 107 ? 0.2041 0.2105 0.2193 0.0268 0.0539 -0.1024 427 LYS H N 2443 C CA . LYS B 107 ? 0.2359 0.2472 0.2407 0.0080 0.0467 -0.1292 427 LYS H CA 2444 C C . LYS B 107 ? 0.2022 0.1765 0.2132 0.0178 0.0425 -0.0895 427 LYS H C 2445 O O . LYS B 107 ? 0.2087 0.1675 0.2562 0.0362 0.0504 -0.0944 427 LYS H O 2446 C CB . LYS B 107 ? 0.3921 0.3550 0.2922 -0.0200 0.0806 -0.1322 427 LYS H CB 2447 C CG . LYS B 107 ? 0.4898 0.3885 0.3459 -0.0019 0.0999 -0.1516 427 LYS H CG 2448 C CD . LYS B 107 ? 0.5591 0.4284 0.3916 -0.0293 0.0601 -0.1370 427 LYS H CD 2449 C CE . LYS B 107 ? 0.5998 0.4618 0.4192 -0.0419 0.0246 -0.1148 427 LYS H CE 2450 N NZ . LYS B 107 ? 0.6403 0.4786 0.4462 -0.0579 0.0147 -0.0807 427 LYS H NZ 2464 N N . PRO B 108 ? 0.2333 0.2017 0.2189 0.0265 0.0252 -0.0814 428 PRO H N 2465 C CA . PRO B 108 ? 0.2351 0.2091 0.2243 0.0154 0.0319 -0.0917 428 PRO H CA 2466 C C . PRO B 108 ? 0.2334 0.2075 0.2349 -0.0511 0.0453 -0.1087 428 PRO H C 2467 O O . PRO B 108 ? 0.2694 0.2180 0.2415 -0.0600 0.0640 -0.1001 428 PRO H O 2468 C CB . PRO B 108 ? 0.3362 0.2631 0.2154 0.0579 0.0627 -0.0615 428 PRO H CB 2469 C CG . PRO B 108 ? 0.3752 0.2752 0.2464 0.0890 0.0362 -0.0545 428 PRO H CG 2470 C CD . PRO B 108 ? 0.3156 0.2318 0.2452 0.0980 0.0268 -0.0664 428 PRO H CD 2478 N N . VAL B 109 ? 0.2156 0.2133 0.2578 -0.0315 0.0422 -0.1264 429 VAL H N 2479 C CA A VAL B 109 ? 0.2355 0.2109 0.2687 -0.0568 0.0607 -0.1156 429 VAL H CA 2480 C CA B VAL B 109 ? 0.2369 0.2059 0.2633 -0.0643 0.0349 -0.1111 429 VAL H CA 2481 C C . VAL B 109 ? 0.2475 0.2096 0.2763 -0.0722 0.0518 -0.1262 429 VAL H C 2482 O O . VAL B 109 ? 0.2730 0.2123 0.2952 -0.0739 0.0160 -0.0850 429 VAL H O 2483 C CB A VAL B 109 ? 0.2245 0.2357 0.2724 -0.0348 0.0868 -0.1018 429 VAL H CB 2484 C CB B VAL B 109 ? 0.2301 0.2130 0.2546 -0.0634 0.0105 -0.0905 429 VAL H CB 2485 C CG1 A VAL B 109 ? 0.2339 0.2453 0.2533 0.0082 0.1101 -0.0929 429 VAL H CG1 2486 C CG1 B VAL B 109 ? 0.2515 0.2076 0.2261 -0.0222 0.0038 -0.0800 429 VAL H CG1 2487 C CG2 A VAL B 109 ? 0.2238 0.2353 0.2771 -0.0440 0.0612 -0.0837 429 VAL H CG2 2488 C CG2 B VAL B 109 ? 0.2226 0.2024 0.2381 -0.0822 -0.0230 -0.0744 429 VAL H CG2 2506 N N . ALA B 110 ? 0.2888 0.2172 0.2981 -0.0546 0.0730 -0.1381 430 ALA H N 2507 C CA . ALA B 110 ? 0.2508 0.1811 0.3092 -0.0612 0.0519 -0.1113 430 ALA H CA 2508 C C . ALA B 110 ? 0.2377 0.1402 0.2661 -0.0300 0.0245 -0.0792 430 ALA H C 2509 O O . ALA B 110 ? 0.2734 0.1709 0.2465 -0.0118 0.0237 -0.0519 430 ALA H O 2510 C CB . ALA B 110 ? 0.3138 0.2079 0.3369 -0.0767 0.0500 -0.1317 430 ALA H CB 2516 N N . PHE B 111 ? 0.2467 0.1227 0.2724 -0.0001 -0.0073 -0.0706 431 PHE H N 2517 C CA . PHE B 111 ? 0.1927 0.1377 0.2399 -0.0170 -0.0078 -0.0366 431 PHE H CA 2518 C C . PHE B 111 ? 0.2288 0.1178 0.2446 -0.0302 0.0034 -0.0322 431 PHE H C 2519 O O . PHE B 111 ? 0.2592 0.1339 0.2989 -0.0197 -0.0015 -0.0656 431 PHE H O 2520 C CB . PHE B 111 ? 0.2321 0.1450 0.2538 -0.0054 -0.0369 -0.0134 431 PHE H CB 2521 C CG . PHE B 111 ? 0.2113 0.1144 0.2650 0.0248 -0.0206 -0.0271 431 PHE H CG 2522 C CD1 . PHE B 111 ? 0.2118 0.1420 0.2375 -0.0043 0.0074 -0.0335 431 PHE H CD1 2523 C CD2 . PHE B 111 ? 0.2700 0.1511 0.3021 0.0123 -0.0481 -0.0292 431 PHE H CD2 2524 C CE1 . PHE B 111 ? 0.1934 0.1638 0.2438 0.0182 -0.0125 -0.0504 431 PHE H CE1 2525 C CE2 . PHE B 111 ? 0.2551 0.1493 0.2919 0.0093 -0.0629 -0.0480 431 PHE H CE2 2526 C CZ . PHE B 111 ? 0.2053 0.1484 0.2651 0.0146 -0.0248 -0.0691 431 PHE H CZ 2536 N N . SER B 112 ? 0.2183 0.1132 0.2102 -0.0361 -0.0038 -0.0289 432 SER H N 2537 C CA . SER B 112 ? 0.2306 0.1036 0.1970 -0.0548 -0.0116 -0.0200 432 SER H CA 2538 C C . SER B 112 ? 0.2252 0.1203 0.1945 -0.0376 -0.0229 -0.0170 432 SER H C 2539 O O . SER B 112 ? 0.2352 0.1246 0.1837 -0.0596 -0.0337 -0.0257 432 SER H O 2540 C CB . SER B 112 ? 0.2484 0.1181 0.2115 -0.0586 -0.0024 -0.0334 432 SER H CB 2541 O OG . SER B 112 ? 0.2233 0.1292 0.1912 -0.0539 -0.0169 -0.0409 432 SER H OG 2547 N N . ASP B 113 ? 0.2136 0.1506 0.2119 -0.0744 -0.0118 -0.0377 433 ASP H N 2548 C CA . ASP B 113 ? 0.2120 0.1701 0.2127 -0.0672 0.0020 -0.0319 433 ASP H CA 2549 C C . ASP B 113 ? 0.1799 0.1687 0.1821 -0.0676 -0.0079 -0.0407 433 ASP H C 2550 O O . ASP B 113 ? 0.2123 0.1627 0.1705 -0.0647 0.0010 -0.0454 433 ASP H O 2551 C CB . ASP B 113 ? 0.2257 0.1659 0.2835 -0.0948 0.0112 -0.0228 433 ASP H CB 2552 C CG . ASP B 113 ? 0.3001 0.1992 0.3199 -0.1138 0.0046 -0.0482 433 ASP H CG 2553 O OD1 . ASP B 113 ? 0.3422 0.1962 0.3215 -0.1077 -0.0126 -0.0045 433 ASP H OD1 2554 O OD2 . ASP B 113 ? 0.3247 0.2391 0.3751 -0.1406 0.0295 -0.0454 433 ASP H OD2 2559 N N . TYR B 114 ? 0.1642 0.1640 0.1679 -0.0638 -0.0062 -0.0374 434 TYR H N 2560 C CA . TYR B 114 ? 0.1388 0.1361 0.1658 -0.0457 -0.0139 -0.0391 434 TYR H CA 2561 C C . TYR B 114 ? 0.1587 0.1386 0.1423 -0.0424 -0.0204 -0.0270 434 TYR H C 2562 O O . TYR B 114 ? 0.1444 0.1244 0.1320 -0.0409 -0.0126 -0.0279 434 TYR H O 2563 C CB . TYR B 114 ? 0.1616 0.1803 0.2203 -0.0389 -0.0427 -0.0520 434 TYR H CB 2564 C CG . TYR B 114 ? 0.1891 0.1967 0.2732 -0.0579 -0.0747 -0.0662 434 TYR H CG 2565 C CD1 . TYR B 114 ? 0.1652 0.2676 0.3233 -0.0800 -0.0378 -0.0653 434 TYR H CD1 2566 C CD2 . TYR B 114 ? 0.2452 0.2528 0.3290 -0.0884 -0.1102 -0.0486 434 TYR H CD2 2567 C CE1 . TYR B 114 ? 0.1794 0.3112 0.3615 -0.1106 -0.0636 -0.0362 434 TYR H CE1 2568 C CE2 . TYR B 114 ? 0.2585 0.2904 0.3974 -0.1324 -0.0836 -0.0376 434 TYR H CE2 2569 C CZ . TYR B 114 ? 0.2388 0.3354 0.4171 -0.1483 -0.0668 -0.0296 434 TYR H CZ 2570 O OH . TYR B 114 ? 0.2696 0.4045 0.4910 -0.1649 -0.0779 -0.0126 434 TYR H OH 2580 N N . ILE B 115 ? 0.1511 0.1309 0.1363 -0.0441 -0.0129 -0.0379 435 ILE H N 2581 C CA . ILE B 115 ? 0.1543 0.1133 0.1410 -0.0203 -0.0253 -0.0450 435 ILE H CA 2582 C C . ILE B 115 ? 0.1387 0.1037 0.1616 -0.0535 -0.0100 -0.0441 435 ILE H C 2583 O O . ILE B 115 ? 0.2020 0.0796 0.1768 -0.0402 -0.0152 -0.0374 435 ILE H O 2584 C CB . ILE B 115 ? 0.1786 0.1038 0.1383 -0.0302 -0.0059 -0.0393 435 ILE H CB 2585 C CG1 . ILE B 115 ? 0.1921 0.1239 0.1368 -0.0170 -0.0078 -0.0292 435 ILE H CG1 2586 C CG2 . ILE B 115 ? 0.1579 0.1210 0.1508 -0.0205 -0.0074 -0.0281 435 ILE H CG2 2587 C CD1 . ILE B 115 ? 0.1932 0.1688 0.1344 -0.0282 -0.0126 -0.0385 435 ILE H CD1 2599 N N . HIS B 116 ? 0.1574 0.0817 0.1346 -0.0366 -0.0229 -0.0238 436 HIS H N 2600 C CA . HIS B 116 ? 0.1322 0.1007 0.1412 -0.0225 0.0008 -0.0212 436 HIS H CA 2601 C C . HIS B 116 ? 0.1154 0.0859 0.1136 -0.0278 -0.0019 -0.0076 436 HIS H C 2602 O O . HIS B 116 ? 0.1516 0.0726 0.1367 -0.0072 -0.0142 -0.0103 436 HIS H O 2603 C CB . HIS B 116 ? 0.1544 0.1134 0.1483 -0.0230 0.0029 -0.0099 436 HIS H CB 2604 C CG . HIS B 116 ? 0.1989 0.1457 0.1838 -0.0492 0.0155 -0.0110 436 HIS H CG 2605 N ND1 . HIS B 116 ? 0.2765 0.1532 0.2180 -0.0738 -0.0156 -0.0007 436 HIS H ND1 2606 C CD2 . HIS B 116 ? 0.2238 0.2095 0.1713 -0.0621 -0.0141 0.0324 436 HIS H CD2 2607 C CE1 . HIS B 116 ? 0.3022 0.1961 0.2107 -0.0419 -0.0460 0.0097 436 HIS H CE1 2608 N NE2 . HIS B 116 ? 0.2688 0.1902 0.1601 -0.0486 -0.0082 0.0286 436 HIS H NE2 2617 N N . PRO B 117 ? 0.1279 0.0701 0.1199 -0.0041 0.0009 -0.0210 437 PRO H N 2618 C CA . PRO B 117 ? 0.1334 0.0905 0.1112 -0.0216 0.0066 -0.0333 437 PRO H CA 2619 C C . PRO B 117 ? 0.1090 0.0896 0.0965 -0.0098 0.0000 -0.0030 437 PRO H C 2620 O O . PRO B 117 ? 0.1400 0.0947 0.1056 -0.0177 0.0000 -0.0080 437 PRO H O 2621 C CB . PRO B 117 ? 0.1246 0.1150 0.1468 0.0031 0.0107 -0.0344 437 PRO H CB 2622 C CG . PRO B 117 ? 0.1515 0.1320 0.1976 -0.0010 0.0000 -0.0259 437 PRO H CG 2623 C CD . PRO B 117 ? 0.1491 0.0946 0.1687 -0.0070 -0.0117 -0.0247 437 PRO H CD 2631 N N . VAL B 118 ? 0.1139 0.0641 0.1057 -0.0127 -0.0042 -0.0139 438 VAL H N 2632 C CA . VAL B 118 ? 0.0948 0.0765 0.0892 -0.0033 -0.0012 -0.0094 438 VAL H CA 2633 C C . VAL B 118 ? 0.1018 0.0833 0.0994 0.0005 0.0122 -0.0126 438 VAL H C 2634 O O . VAL B 118 ? 0.1076 0.1344 0.1048 0.0168 -0.0033 -0.0225 438 VAL H O 2635 C CB . VAL B 118 ? 0.1044 0.0842 0.0943 0.0011 0.0030 0.0019 438 VAL H CB 2636 C CG1 . VAL B 118 ? 0.1269 0.0899 0.0969 -0.0116 0.0199 -0.0170 438 VAL H CG1 2637 C CG2 . VAL B 118 ? 0.1135 0.0853 0.0969 0.0056 0.0048 -0.0103 438 VAL H CG2 2647 N N . CYS B 119 ? 0.1036 0.0755 0.1005 -0.0091 -0.0112 -0.0046 439 CYS H N 2648 C CA . CYS B 119 ? 0.1051 0.0788 0.0973 0.0011 -0.0079 -0.0056 439 CYS H CA 2649 C C . CYS B 119 ? 0.0912 0.0779 0.1022 -0.0164 -0.0057 -0.0028 439 CYS H C 2650 O O . CYS B 119 ? 0.1040 0.0847 0.1086 0.0058 -0.0035 -0.0023 439 CYS H O 2651 C CB . CYS B 119 ? 0.1246 0.0923 0.1159 -0.0097 -0.0265 0.0221 439 CYS H CB 2652 S SG . CYS B 119 ? 0.1510 0.1196 0.1360 -0.0129 -0.0142 0.0201 439 CYS H SG 2657 N N . LEU B 120 ? 0.0992 0.0694 0.1203 0.0148 -0.0074 -0.0107 440 LEU H N 2658 C CA . LEU B 120 ? 0.0975 0.0974 0.1030 -0.0154 -0.0008 -0.0162 440 LEU H CA 2659 C C . LEU B 120 ? 0.0790 0.1178 0.1031 -0.0021 -0.0013 -0.0103 440 LEU H C 2660 O O . LEU B 120 ? 0.1288 0.1064 0.1137 0.0099 -0.0146 -0.0082 440 LEU H O 2661 C CB . LEU B 120 ? 0.1295 0.1216 0.1233 -0.0345 0.0271 -0.0206 440 LEU H CB 2662 C CG . LEU B 120 ? 0.2055 0.1242 0.1189 -0.0355 0.0652 -0.0318 440 LEU H CG 2663 C CD1 . LEU B 120 ? 0.2557 0.2791 0.1431 -0.0720 0.0843 -0.0537 440 LEU H CD1 2664 C CD2 . LEU B 120 ? 0.3362 0.1123 0.1326 -0.0048 -0.0024 -0.0075 440 LEU H CD2 2676 N N . PRO B 121 ? 0.1045 0.1023 0.1103 -0.0163 -0.0087 -0.0153 441 PRO H N 2677 C CA . PRO B 121 ? 0.1026 0.0927 0.1209 -0.0041 -0.0271 -0.0264 441 PRO H CA 2678 C C . PRO B 121 ? 0.1038 0.1279 0.1472 0.0048 -0.0140 -0.0185 441 PRO H C 2679 O O . PRO B 121 ? 0.1079 0.1460 0.1673 -0.0060 -0.0204 0.0069 441 PRO H O 2680 C CB . PRO B 121 ? 0.1272 0.1127 0.1624 0.0129 -0.0311 -0.0415 441 PRO H CB 2681 C CG . PRO B 121 ? 0.1248 0.0944 0.1809 -0.0121 -0.0355 -0.0315 441 PRO H CG 2682 C CD . PRO B 121 ? 0.1269 0.0719 0.1454 -0.0090 -0.0112 -0.0068 441 PRO H CD 2690 N N . ASP B 122 ? 0.1143 0.1630 0.1338 0.0264 -0.0175 -0.0140 442 ASP H N 2691 C CA . ASP B 122 ? 0.1303 0.1880 0.1517 0.0529 -0.0686 -0.0345 442 ASP H CA 2692 C C . ASP B 122 ? 0.1215 0.1897 0.1391 0.0455 -0.0479 -0.0110 442 ASP H C 2693 O O . ASP B 122 ? 0.1359 0.1855 0.1305 0.0376 -0.0497 -0.0427 442 ASP H O 2694 C CB . ASP B 122 ? 0.1740 0.1861 0.2013 0.0698 -0.0544 -0.0282 442 ASP H CB 2695 C CG . ASP B 122 ? 0.1738 0.2610 0.2317 0.0090 -0.0355 -0.0168 442 ASP H CG 2696 O OD1 . ASP B 122 ? 0.1878 0.2594 0.2885 0.0032 -0.0203 -0.0313 442 ASP H OD1 2697 O OD2 . ASP B 122 ? 0.2156 0.2290 0.2393 0.0162 -0.0395 0.0045 442 ASP H OD2 2702 N N . ARG B 123 ? 0.1145 0.1876 0.1441 0.0414 -0.0363 -0.0089 443 ARG H N 2703 C CA . ARG B 123 ? 0.1141 0.1959 0.1452 0.0273 -0.0333 0.0008 443 ARG H CA 2704 C C . ARG B 123 ? 0.1124 0.1624 0.1441 -0.0024 -0.0562 0.0007 443 ARG H C 2705 O O . ARG B 123 ? 0.1028 0.1729 0.1486 -0.0144 -0.0177 0.0006 443 ARG H O 2706 C CB . ARG B 123 ? 0.1098 0.2488 0.1826 0.0125 -0.0348 0.0509 443 ARG H CB 2707 C CG . ARG B 123 ? 0.1211 0.3210 0.2393 -0.0157 -0.0618 0.0727 443 ARG H CG 2708 C CD . ARG B 123 ? 0.1693 0.3612 0.2628 -0.0430 -0.0775 0.1252 443 ARG H CD 2709 N NE . ARG B 123 ? 0.2497 0.3952 0.2967 -0.0987 -0.1035 0.0829 443 ARG H NE 2710 C CZ . ARG B 123 ? 0.4763 0.4430 0.3291 -0.0148 -0.0838 0.0810 443 ARG H CZ 2711 N NH1 . ARG B 123 ? 0.5395 0.4371 0.3340 -0.0123 -0.0617 0.1236 443 ARG H NH1 2712 N NH2 . ARG B 123 ? 0.5709 0.4756 0.3296 -0.0058 -0.0838 0.0385 443 ARG H NH2 2726 N N . GLU B 124 ? 0.1115 0.1534 0.1650 0.0181 -0.0424 -0.0052 444 GLU H N 2727 C CA . GLU B 124 ? 0.1269 0.2069 0.1336 0.0088 -0.0218 0.0084 444 GLU H CA 2728 C C . GLU B 124 ? 0.1397 0.1620 0.1116 -0.0070 -0.0199 -0.0057 444 GLU H C 2729 O O . GLU B 124 ? 0.1387 0.1994 0.1221 -0.0149 -0.0164 -0.0077 444 GLU H O 2730 C CB . GLU B 124 ? 0.1952 0.2844 0.1827 0.0352 -0.0397 0.0058 444 GLU H CB 2731 C CG . GLU B 124 ? 0.2787 0.4080 0.2490 0.0651 -0.0590 -0.0101 444 GLU H CG 2732 C CD . GLU B 124 ? 0.3231 0.4809 0.3074 0.0433 -0.1057 -0.0229 444 GLU H CD 2733 O OE1 . GLU B 124 ? 0.4150 0.5239 0.3871 0.0309 -0.1039 -0.0043 444 GLU H OE1 2734 O OE2 . GLU B 124 ? 0.3028 0.5061 0.2612 0.0830 -0.0977 -0.0833 444 GLU H OE2 2741 N N . THR B 125 ? 0.1274 0.1428 0.1590 0.0159 -0.0278 -0.0110 445 THR H N 2742 C CA . THR B 125 ? 0.1073 0.1484 0.1545 -0.0058 -0.0266 -0.0291 445 THR H CA 2743 C C . THR B 125 ? 0.0816 0.1559 0.1484 0.0035 -0.0335 -0.0239 445 THR H C 2744 O O . THR B 125 ? 0.1075 0.1349 0.1545 -0.0194 -0.0214 -0.0170 445 THR H O 2745 C CB . THR B 125 ? 0.1527 0.1616 0.1883 0.0181 -0.0402 -0.0233 445 THR H CB 2746 O OG1 . THR B 125 ? 0.1769 0.1635 0.2159 0.0044 -0.0488 -0.0128 445 THR H OG1 2747 C CG2 . THR B 125 ? 0.1539 0.1416 0.2197 -0.0037 -0.0336 -0.0250 445 THR H CG2 2755 N N . ALA B 126 ? 0.0884 0.1631 0.1302 0.0034 -0.0260 -0.0236 446 ALA H N 2756 C CA . ALA B 126 ? 0.0882 0.1611 0.1053 0.0034 -0.0206 -0.0220 446 ALA H CA 2757 C C . ALA B 126 ? 0.0770 0.1680 0.1220 -0.0143 0.0020 -0.0063 446 ALA H C 2758 O O . ALA B 126 ? 0.1038 0.1810 0.1293 0.0111 -0.0100 -0.0130 446 ALA H O 2759 C CB . ALA B 126 ? 0.1115 0.1873 0.1135 0.0086 0.0037 -0.0262 446 ALA H CB 2765 N N . ALA B 127 ? 0.0938 0.1591 0.1067 -0.0192 -0.0185 -0.0253 447 ALA H N 2766 C CA . ALA B 127 ? 0.1197 0.1752 0.1199 -0.0385 -0.0043 -0.0278 447 ALA H CA 2767 C C . ALA B 127 ? 0.1072 0.1531 0.1196 -0.0300 -0.0230 -0.0085 447 ALA H C 2768 O O . ALA B 127 ? 0.1319 0.1678 0.1358 -0.0143 -0.0085 -0.0141 447 ALA H O 2769 C CB . ALA B 127 ? 0.1132 0.2197 0.1241 -0.0040 -0.0504 -0.0452 447 ALA H CB 2775 N N . SER B 128 ? 0.1122 0.1572 0.1031 -0.0098 -0.0157 -0.0019 448 SER H N 2776 C CA A SER B 128 ? 0.1039 0.1579 0.1161 -0.0035 -0.0061 0.0052 448 SER H CA 2777 C CA B SER B 128 ? 0.1179 0.1694 0.1152 -0.0080 -0.0102 0.0005 448 SER H CA 2778 C C . SER B 128 ? 0.1132 0.1570 0.1086 -0.0192 0.0051 0.0141 448 SER H C 2779 O O . SER B 128 ? 0.1071 0.1965 0.1280 0.0081 -0.0003 -0.0119 448 SER H O 2780 C CB A SER B 128 ? 0.1281 0.1918 0.1348 0.0044 0.0043 0.0839 448 SER H CB 2781 C CB B SER B 128 ? 0.1367 0.1968 0.1347 0.0030 -0.0090 0.0076 448 SER H CB 2782 O OG A SER B 128 ? 0.2105 0.2526 0.1721 0.0003 -0.0056 0.0833 448 SER H OG 2783 O OG B SER B 128 ? 0.1651 0.2175 0.1504 0.0114 -0.0108 -0.0046 448 SER H OG 2793 N N . LEU B 129 ? 0.0887 0.1534 0.1067 -0.0090 -0.0043 0.0149 449 LEU H N 2794 C CA . LEU B 129 ? 0.0939 0.1503 0.1101 -0.0263 -0.0027 0.0224 449 LEU H CA 2795 C C . LEU B 129 ? 0.0967 0.1464 0.1021 -0.0302 0.0092 0.0071 449 LEU H C 2796 O O . LEU B 129 ? 0.0876 0.1435 0.1107 0.0062 -0.0100 -0.0048 449 LEU H O 2797 C CB . LEU B 129 ? 0.0931 0.1429 0.1631 -0.0123 -0.0434 0.0018 449 LEU H CB 2798 C CG . LEU B 129 ? 0.1260 0.1514 0.2402 -0.0161 -0.0235 0.0224 449 LEU H CG 2799 C CD1 . LEU B 129 ? 0.1596 0.1634 0.3256 -0.0039 -0.0615 -0.0290 449 LEU H CD1 2800 C CD2 . LEU B 129 ? 0.1204 0.1803 0.2737 -0.0211 0.0139 0.0403 449 LEU H CD2 2812 N N . LEU B 130 ? 0.1029 0.1701 0.1235 -0.0174 0.0086 0.0516 450 LEU H N 2813 C CA . LEU B 130 ? 0.0974 0.2348 0.1743 -0.0168 0.0089 0.0909 450 LEU H CA 2814 C C . LEU B 130 ? 0.0918 0.2019 0.2184 -0.0342 -0.0273 0.1060 450 LEU H C 2815 O O . LEU B 130 ? 0.1255 0.2474 0.2918 -0.0572 -0.0343 0.1176 450 LEU H O 2816 C CB . LEU B 130 ? 0.1378 0.2880 0.2120 -0.0224 0.0154 0.1307 450 LEU H CB 2817 C CG . LEU B 130 ? 0.1583 0.3996 0.1958 -0.0034 0.0136 0.0199 450 LEU H CG 2818 C CD1 . LEU B 130 ? 0.2035 0.3174 0.1725 -0.0304 0.0468 -0.0593 450 LEU H CD1 2819 C CD2 . LEU B 130 ? 0.1749 0.4821 0.2177 -0.0221 0.0587 0.0643 450 LEU H CD2 2831 N N . GLN B 131 ? 0.1008 0.1175 0.2084 -0.0180 -0.0330 0.0410 451 GLN H N 2832 C CA . GLN B 131 ? 0.1349 0.1276 0.1994 -0.0184 -0.0557 0.0412 451 GLN H CA 2833 C C . GLN B 131 ? 0.1363 0.1191 0.1686 -0.0095 -0.0345 0.0266 451 GLN H C 2834 O O . GLN B 131 ? 0.1184 0.1271 0.1310 -0.0155 -0.0183 -0.0107 451 GLN H O 2835 C CB . GLN B 131 ? 0.2228 0.1435 0.1915 -0.0085 -0.0963 0.0298 451 GLN H CB 2836 C CG . GLN B 131 ? 0.2562 0.1986 0.1969 0.0371 -0.1178 0.0248 451 GLN H CG 2837 C CD . GLN B 131 ? 0.3454 0.2093 0.2193 0.0460 -0.1526 -0.0389 451 GLN H CD 2838 O OE1 . GLN B 131 ? 0.4038 0.2347 0.2574 0.0646 -0.1490 -0.0533 451 GLN H OE1 2839 N NE2 . GLN B 131 ? 0.3982 0.2214 0.2049 0.0631 -0.0746 -0.0110 451 GLN H NE2 2848 N N . ALA B 132 ? 0.1266 0.1165 0.1840 -0.0301 -0.0743 0.0230 452 ALA H N 2849 C CA . ALA B 132 ? 0.1463 0.1265 0.1551 -0.0191 -0.0452 0.0182 452 ALA H CA 2850 C C . ALA B 132 ? 0.1771 0.1201 0.0849 -0.0198 -0.0113 -0.0023 452 ALA H C 2851 O O . ALA B 132 ? 0.2278 0.1528 0.1019 -0.0405 -0.0291 -0.0012 452 ALA H O 2852 C CB . ALA B 132 ? 0.2042 0.1226 0.1931 -0.0401 -0.0416 0.0185 452 ALA H CB 2858 N N . GLY B 133 ? 0.1379 0.1039 0.0929 -0.0056 -0.0067 -0.0191 453 GLY H N 2859 C CA . GLY B 133 ? 0.1438 0.1138 0.1156 0.0111 0.0300 -0.0207 453 GLY H CA 2860 C C . GLY B 133 ? 0.1205 0.0870 0.1102 0.0082 0.0170 -0.0109 453 GLY H C 2861 O O . GLY B 133 ? 0.1160 0.1340 0.1582 0.0004 0.0310 0.0021 453 GLY H O 2865 N N . TYR B 134 ? 0.1169 0.0991 0.0917 -0.0021 -0.0171 -0.0150 454 TYR H N 2866 C CA . TYR B 134 ? 0.0886 0.1006 0.0963 0.0116 -0.0072 -0.0103 454 TYR H CA 2867 C C . TYR B 134 ? 0.0998 0.1039 0.0863 0.0111 -0.0089 0.0022 454 TYR H C 2868 O O . TYR B 134 ? 0.1163 0.1033 0.0962 -0.0124 -0.0158 0.0125 454 TYR H O 2869 C CB . TYR B 134 ? 0.1013 0.1102 0.1024 0.0230 -0.0047 0.0030 454 TYR H CB 2870 C CG . TYR B 134 ? 0.1151 0.1277 0.0952 0.0199 -0.0129 0.0114 454 TYR H CG 2871 C CD1 . TYR B 134 ? 0.1370 0.1625 0.0933 0.0199 -0.0236 0.0058 454 TYR H CD1 2872 C CD2 . TYR B 134 ? 0.0974 0.1546 0.1032 0.0218 0.0043 0.0211 454 TYR H CD2 2873 C CE1 . TYR B 134 ? 0.1565 0.1721 0.1145 0.0212 -0.0072 0.0117 454 TYR H CE1 2874 C CE2 . TYR B 134 ? 0.1206 0.2014 0.0901 0.0145 -0.0175 0.0557 454 TYR H CE2 2875 C CZ . TYR B 134 ? 0.1416 0.2062 0.0970 0.0050 -0.0244 0.0403 454 TYR H CZ 2876 O OH . TYR B 134 ? 0.2078 0.3047 0.1113 -0.0065 -0.0346 0.0614 454 TYR H OH 2886 N N . LYS B 135 ? 0.0842 0.1012 0.0695 -0.0028 -0.0102 -0.0007 455 LYS H N 2887 C CA . LYS B 135 ? 0.0910 0.0831 0.0904 0.0049 -0.0106 -0.0168 455 LYS H CA 2888 C C . LYS B 135 ? 0.0804 0.0839 0.0828 -0.0037 -0.0055 0.0002 455 LYS H C 2889 O O . LYS B 135 ? 0.1028 0.0968 0.0841 0.0044 -0.0025 0.0007 455 LYS H O 2890 C CB . LYS B 135 ? 0.0693 0.1055 0.1099 -0.0052 -0.0118 0.0065 455 LYS H CB 2891 C CG . LYS B 135 ? 0.1103 0.0815 0.1070 0.0166 0.0084 0.0031 455 LYS H CG 2892 C CD . LYS B 135 ? 0.1034 0.1221 0.1340 0.0103 0.0089 0.0000 455 LYS H CD 2893 C CE . LYS B 135 ? 0.1036 0.1101 0.1755 0.0286 0.0187 -0.0019 455 LYS H CE 2894 N NZ . LYS B 135 ? 0.1258 0.1610 0.1943 0.0333 0.0259 -0.0015 455 LYS H NZ 2908 N N . GLY B 136 ? 0.0875 0.0815 0.0764 0.0096 0.0095 0.0040 456 GLY H N 2909 C CA . GLY B 136 ? 0.0858 0.0932 0.0617 0.0147 -0.0128 0.0008 456 GLY H CA 2910 C C . GLY B 136 ? 0.0804 0.0649 0.1041 0.0141 0.0196 -0.0005 456 GLY H C 2911 O O . GLY B 136 ? 0.0911 0.0887 0.1026 0.0155 -0.0123 -0.0172 456 GLY H O 2915 N N . ARG B 137 ? 0.0621 0.0911 0.0865 0.0098 0.0005 -0.0059 457 ARG H N 2916 C CA . ARG B 137 ? 0.0448 0.1178 0.0842 -0.0095 0.0009 -0.0070 457 ARG H CA 2917 C C . ARG B 137 ? 0.0473 0.0876 0.0981 0.0004 0.0091 -0.0084 457 ARG H C 2918 O O . ARG B 137 ? 0.0631 0.0954 0.0891 0.0087 -0.0064 0.0072 457 ARG H O 2919 C CB . ARG B 137 ? 0.0763 0.1107 0.0987 -0.0323 0.0038 -0.0045 457 ARG H CB 2920 C CG . ARG B 137 ? 0.0957 0.1187 0.1100 -0.0464 0.0172 -0.0080 457 ARG H CG 2921 C CD . ARG B 137 ? 0.1001 0.1260 0.1294 -0.0271 0.0049 -0.0035 457 ARG H CD 2922 N NE . ARG B 137 ? 0.1008 0.1131 0.1069 -0.0403 0.0063 -0.0031 457 ARG H NE 2923 C CZ . ARG B 137 ? 0.1077 0.1270 0.1189 -0.0291 -0.0089 0.0015 457 ARG H CZ 2924 N NH1 . ARG B 137 ? 0.1175 0.1263 0.1237 -0.0354 -0.0060 0.0076 457 ARG H NH1 2925 N NH2 . ARG B 137 ? 0.1291 0.1243 0.1507 -0.0425 0.0419 0.0015 457 ARG H NH2 2939 N N . VAL B 138 ? 0.0522 0.0830 0.0960 0.0106 -0.0044 0.0039 458 VAL H N 2940 C CA A VAL B 138 ? 0.0498 0.1019 0.0834 0.0128 0.0079 0.0033 458 VAL H CA 2941 C CA B VAL B 138 ? 0.0480 0.1105 0.0965 0.0042 0.0029 -0.0038 458 VAL H CA 2942 C C . VAL B 138 ? 0.0575 0.1269 0.0804 -0.0028 0.0058 0.0147 458 VAL H C 2943 O O . VAL B 138 ? 0.0636 0.1484 0.0892 0.0055 -0.0020 -0.0031 458 VAL H O 2944 C CB A VAL B 138 ? 0.0845 0.1211 0.1145 0.0152 0.0158 0.0326 458 VAL H CB 2945 C CB B VAL B 138 ? 0.0606 0.1272 0.1280 -0.0052 0.0117 -0.0097 458 VAL H CB 2946 C CG1 A VAL B 138 ? 0.1290 0.1121 0.1421 -0.0168 0.0193 0.0401 458 VAL H CG1 2947 C CG1 B VAL B 138 ? 0.0567 0.1132 0.1117 -0.0354 0.0192 -0.0244 458 VAL H CG1 2948 C CG2 A VAL B 138 ? 0.1041 0.1311 0.1571 0.0004 -0.0200 0.0249 458 VAL H CG2 2949 C CG2 B VAL B 138 ? 0.0702 0.1347 0.1554 0.0032 0.0065 0.0037 458 VAL H CG2 2967 N N . THR B 139 ? 0.0618 0.1642 0.0663 0.0057 0.0009 -0.0123 459 THR H N 2968 C CA . THR B 139 ? 0.0855 0.1326 0.0677 -0.0068 -0.0128 0.0066 459 THR H CA 2969 C C . THR B 139 ? 0.0827 0.1218 0.0709 -0.0063 -0.0056 -0.0085 459 THR H C 2970 O O . THR B 139 ? 0.0843 0.1414 0.0793 -0.0046 -0.0015 -0.0057 459 THR H O 2971 C CB . THR B 139 ? 0.1057 0.1499 0.0981 0.0164 -0.0001 0.0102 459 THR H CB 2972 O OG1 . THR B 139 ? 0.1167 0.1809 0.1084 0.0372 0.0049 0.0194 459 THR H OG1 2973 C CG2 . THR B 139 ? 0.1095 0.1289 0.1191 0.0035 0.0017 0.0040 459 THR H CG2 2981 N N . GLY B 140 ? 0.0856 0.1343 0.0680 -0.0071 -0.0220 -0.0103 460 GLY H N 2982 C CA . GLY B 140 ? 0.0720 0.1547 0.0713 0.0057 -0.0224 -0.0087 460 GLY H CA 2983 C C . GLY B 140 ? 0.0798 0.1342 0.0941 0.0055 -0.0093 -0.0184 460 GLY H C 2984 O O . GLY B 140 ? 0.0832 0.1306 0.1093 0.0007 -0.0145 -0.0141 460 GLY H O 2988 N N . TRP B 141 ? 0.0976 0.1450 0.0817 0.0044 -0.0172 -0.0147 461 TRP H N 2989 C CA . TRP B 141 ? 0.1159 0.1436 0.0929 0.0082 -0.0237 -0.0214 461 TRP H CA 2990 C C . TRP B 141 ? 0.1015 0.1636 0.1068 -0.0072 -0.0264 -0.0245 461 TRP H C 2991 O O . TRP B 141 ? 0.1490 0.1914 0.1095 0.0078 -0.0387 -0.0106 461 TRP H O 2992 C CB . TRP B 141 ? 0.1485 0.1486 0.1017 0.0099 -0.0154 -0.0094 461 TRP H CB 2993 C CG . TRP B 141 ? 0.1426 0.1509 0.0944 -0.0066 -0.0307 -0.0172 461 TRP H CG 2994 C CD1 . TRP B 141 ? 0.1627 0.1615 0.1255 -0.0025 -0.0284 -0.0177 461 TRP H CD1 2995 C CD2 . TRP B 141 ? 0.1613 0.1552 0.1052 0.0051 -0.0190 -0.0245 461 TRP H CD2 2996 N NE1 . TRP B 141 ? 0.1831 0.1647 0.1225 -0.0239 -0.0255 -0.0252 461 TRP H NE1 2997 C CE2 . TRP B 141 ? 0.2060 0.1703 0.1041 0.0037 -0.0308 -0.0291 461 TRP H CE2 2998 C CE3 . TRP B 141 ? 0.1557 0.1940 0.0964 0.0299 -0.0289 -0.0255 461 TRP H CE3 2999 C CZ2 . TRP B 141 ? 0.2360 0.1526 0.1211 0.0152 -0.0320 -0.0334 461 TRP H CZ2 3000 C CZ3 . TRP B 141 ? 0.2177 0.1953 0.1003 0.0543 -0.0242 -0.0429 461 TRP H CZ3 3001 C CH2 . TRP B 141 ? 0.2199 0.1806 0.1342 0.0389 -0.0518 -0.0200 461 TRP H CH2 3012 N N . GLY B 142 ? 0.1146 0.1395 0.1075 -0.0006 -0.0174 0.0185 462 GLY H N 3013 C CA . GLY B 142 ? 0.1327 0.1472 0.1298 0.0043 -0.0202 0.0336 462 GLY H CA 3014 C C . GLY B 142 ? 0.1045 0.1643 0.1158 -0.0248 -0.0234 0.0405 462 GLY H C 3015 O O . GLY B 142 ? 0.1178 0.1554 0.1403 0.0010 -0.0237 0.0179 462 GLY H O 3019 N N . ASN B 143 ? 0.1280 0.1758 0.1301 0.0099 -0.0254 0.0325 463 ASN H N 3020 C CA . ASN B 143 ? 0.1411 0.1780 0.1717 0.0437 -0.0346 0.0222 463 ASN H CA 3021 C C . ASN B 143 ? 0.1191 0.1687 0.1564 0.0241 -0.0502 0.0178 463 ASN H C 3022 O O . ASN B 143 ? 0.1237 0.1560 0.1455 0.0281 -0.0360 0.0199 463 ASN H O 3023 C CB . ASN B 143 ? 0.2177 0.2285 0.2354 0.0481 -0.0003 0.1042 463 ASN H CB 3024 C CG . ASN B 143 ? 0.3059 0.3263 0.2860 0.0811 -0.0254 0.1557 463 ASN H CG 3025 O OD1 . ASN B 143 ? 0.3275 0.3978 0.2280 0.1131 -0.0081 0.1162 463 ASN H OD1 3026 N ND2 . ASN B 143 ? 0.4155 0.3737 0.3417 0.0018 -0.0017 0.2133 463 ASN H ND2 3033 N N . LEU B 144 ? 0.1117 0.1942 0.1573 0.0170 -0.0462 0.0271 464 LEU H N 3034 C CA . LEU B 144 ? 0.0982 0.2110 0.1707 0.0375 -0.0300 0.0128 464 LEU H CA 3035 C C . LEU B 144 ? 0.1119 0.2049 0.1940 0.0423 -0.0428 0.0053 464 LEU H C 3036 O O . LEU B 144 ? 0.1432 0.2155 0.2300 0.0336 -0.0047 0.0064 464 LEU H O 3037 C CB . LEU B 144 ? 0.1111 0.2199 0.2015 0.0268 -0.0420 0.0004 464 LEU H CB 3038 C CG . LEU B 144 ? 0.1213 0.2219 0.1999 0.0308 -0.0404 -0.0005 464 LEU H CG 3039 C CD1 . LEU B 144 ? 0.1551 0.2319 0.2319 -0.0092 -0.0764 -0.0163 464 LEU H CD1 3040 C CD2 . LEU B 144 ? 0.1631 0.2177 0.1967 0.0443 -0.0301 0.0026 464 LEU H CD2 3052 N N . LYS B 145 ? 0.1498 0.1982 0.2241 0.0527 -0.0358 0.0080 465 LYS H N 3053 C CA A LYS B 145 ? 0.1891 0.2088 0.2819 0.0726 -0.0404 0.0059 465 LYS H CA 3054 C CA B LYS B 145 ? 0.1849 0.2065 0.2778 0.0732 -0.0421 0.0022 465 LYS H CA 3055 C C . LYS B 145 ? 0.2012 0.1665 0.2549 0.0477 -0.0459 0.0113 465 LYS H C 3056 O O . LYS B 145 ? 0.2321 0.2002 0.2295 0.0374 -0.0442 0.0088 465 LYS H O 3057 C CB A LYS B 145 ? 0.2465 0.2720 0.3791 0.0954 -0.0298 0.0097 465 LYS H CB 3058 C CB B LYS B 145 ? 0.2470 0.2695 0.3815 0.0906 -0.0273 0.0055 465 LYS H CB 3059 C CG A LYS B 145 ? 0.3028 0.3654 0.4509 0.1075 -0.0330 0.0131 465 LYS H CG 3060 C CG B LYS B 145 ? 0.2994 0.3689 0.4562 0.1123 -0.0286 0.0089 465 LYS H CG 3061 C CD A LYS B 145 ? 0.3638 0.4461 0.4995 0.1055 -0.0346 0.0174 465 LYS H CD 3062 C CD B LYS B 145 ? 0.3609 0.4462 0.5074 0.1219 -0.0252 0.0141 465 LYS H CD 3063 C CE A LYS B 145 ? 0.4261 0.5106 0.5356 0.1053 -0.0269 0.0234 465 LYS H CE 3064 C CE B LYS B 145 ? 0.4386 0.5105 0.5395 0.1077 -0.0140 0.0175 465 LYS H CE 3065 N NZ A LYS B 145 ? 0.4661 0.5499 0.5537 0.1041 -0.0177 0.0233 465 LYS H NZ 3066 N NZ B LYS B 145 ? 0.4449 0.5286 0.5435 0.1327 -0.0122 0.0238 465 LYS H NZ 3092 N N . GLU B 146 ? 0.2209 0.1567 0.2521 0.0288 -0.0714 0.0281 466 GLU H N 3093 C CA . GLU B 146 ? 0.2406 0.1986 0.2380 -0.0187 -0.1173 0.0629 466 GLU H CA 3094 C C . GLU B 146 ? 0.3620 0.2352 0.3177 -0.0686 -0.1899 0.0552 466 GLU H C 3095 O O . GLU B 146 ? 0.4395 0.2562 0.3362 -0.0554 -0.2057 0.0906 466 GLU H O 3096 C CB . GLU B 146 ? 0.2678 0.2080 0.2152 -0.0271 -0.0669 0.0587 466 GLU H CB 3097 C CG . GLU B 146 ? 0.2662 0.2318 0.2088 -0.0216 -0.0282 0.0581 466 GLU H CG 3098 C CD . GLU B 146 ? 0.2441 0.1935 0.1901 0.0139 -0.0513 0.0631 466 GLU H CD 3099 O OE1 . GLU B 146 ? 0.3489 0.1900 0.1933 -0.0442 -0.0368 0.0898 466 GLU H OE1 3100 O OE2 . GLU B 146 ? 0.1626 0.1731 0.1848 0.0400 -0.0178 0.0398 466 GLU H OE2 3107 N N . GLY B 155 ? 0.5793 0.4195 0.3841 0.0600 -0.0940 0.0502 475 GLY H N 3108 C CA . GLY B 155 ? 0.4792 0.3642 0.3150 0.0657 -0.0992 0.0751 475 GLY H CA 3109 C C . GLY B 155 ? 0.3778 0.3305 0.2211 0.0237 -0.0851 0.0692 475 GLY H C 3110 O O . GLY B 155 ? 0.2741 0.3816 0.2031 0.0043 -0.0767 -0.0151 475 GLY H O 3113 N N . GLN B 156 ? 0.3823 0.3417 0.2502 -0.0149 -0.0988 0.0397 476 GLN H N 3114 C CA A GLN B 156 ? 0.3740 0.3488 0.2799 -0.0259 -0.0739 0.0224 476 GLN H CA 3115 C CA B GLN B 156 ? 0.3742 0.3475 0.2791 -0.0258 -0.0755 0.0212 476 GLN H CA 3116 C C . GLN B 156 ? 0.2770 0.3074 0.2370 -0.0191 -0.0881 0.0216 476 GLN H C 3117 O O . GLN B 156 ? 0.2895 0.3205 0.2736 0.0018 -0.1312 0.0619 476 GLN H O 3118 C CB A GLN B 156 ? 0.4372 0.4187 0.3538 -0.0357 -0.0450 0.0216 476 GLN H CB 3119 C CB B GLN B 156 ? 0.4351 0.4182 0.3526 -0.0322 -0.0474 0.0242 476 GLN H CB 3120 C CG A GLN B 156 ? 0.4971 0.4935 0.4151 -0.0446 -0.0484 0.0166 476 GLN H CG 3121 C CG B GLN B 156 ? 0.4956 0.4942 0.4129 -0.0350 -0.0500 0.0207 476 GLN H CG 3122 C CD A GLN B 156 ? 0.5424 0.5651 0.4660 -0.0451 -0.0578 0.0152 476 GLN H CD 3123 C CD B GLN B 156 ? 0.5390 0.5677 0.4633 -0.0473 -0.0591 0.0116 476 GLN H CD 3124 O OE1 A GLN B 156 ? 0.5478 0.5864 0.4792 -0.0560 -0.0711 0.0156 476 GLN H OE1 3125 O OE1 B GLN B 156 ? 0.5556 0.5932 0.4856 -0.0552 -0.0546 0.0078 476 GLN H OE1 3126 N NE2 A GLN B 156 ? 0.5665 0.5933 0.4886 -0.0436 -0.0632 0.0106 476 GLN H NE2 3127 N NE2 B GLN B 156 ? 0.5548 0.5849 0.4809 -0.0532 -0.0647 0.0058 476 GLN H NE2 3143 N N . PRO B 157 ? 0.1706 0.2380 0.1764 -0.0037 -0.0696 0.0098 477 PRO H N 3144 C CA . PRO B 157 ? 0.1474 0.2140 0.1637 0.0181 -0.0675 -0.0067 477 PRO H CA 3145 C C . PRO B 157 ? 0.1374 0.2330 0.1626 0.0184 -0.0544 -0.0264 477 PRO H C 3146 O O . PRO B 157 ? 0.1647 0.2910 0.1991 -0.0055 -0.0346 -0.0490 477 PRO H O 3147 C CB . PRO B 157 ? 0.1472 0.2039 0.1552 0.0287 -0.0652 -0.0385 477 PRO H CB 3148 C CG . PRO B 157 ? 0.1538 0.2073 0.1932 0.0329 -0.0893 -0.0250 477 PRO H CG 3149 C CD . PRO B 157 ? 0.1476 0.2315 0.1848 0.0164 -0.0558 -0.0037 477 PRO H CD 3157 N N . SER B 158 ? 0.1345 0.2462 0.1790 0.0061 -0.0708 -0.0221 478 SER H N 3158 C CA A SER B 158 ? 0.1510 0.2512 0.1962 0.0120 -0.0761 -0.0435 478 SER H CA 3159 C CA B SER B 158 ? 0.1533 0.2553 0.2084 0.0090 -0.0799 -0.0427 478 SER H CA 3160 C C . SER B 158 ? 0.1285 0.2405 0.1894 0.0066 -0.0746 -0.0502 478 SER H C 3161 O O . SER B 158 ? 0.1276 0.2385 0.1998 0.0165 -0.0769 -0.0457 478 SER H O 3162 C CB A SER B 158 ? 0.1888 0.2554 0.2659 0.0044 -0.1082 -0.0401 478 SER H CB 3163 C CB B SER B 158 ? 0.1928 0.2695 0.2731 0.0016 -0.1078 -0.0467 478 SER H CB 3164 O OG A SER B 158 ? 0.2193 0.2927 0.3038 0.0223 -0.1064 -0.0491 478 SER H OG 3165 O OG B SER B 158 ? 0.2115 0.3008 0.3031 0.0131 -0.1284 -0.0437 478 SER H OG 3175 N N . VAL B 159 ? 0.1124 0.2368 0.1698 0.0279 -0.0640 -0.0480 479 VAL H N 3176 C CA . VAL B 159 ? 0.1047 0.2188 0.1597 -0.0030 -0.0588 -0.0441 479 VAL H CA 3177 C C . VAL B 159 ? 0.1013 0.1755 0.1332 -0.0321 -0.0458 -0.0358 479 VAL H C 3178 O O . VAL B 159 ? 0.1187 0.1586 0.1455 -0.0056 -0.0510 -0.0265 479 VAL H O 3179 C CB . VAL B 159 ? 0.1173 0.2473 0.1776 -0.0182 -0.0396 -0.0517 479 VAL H CB 3180 C CG1 . VAL B 159 ? 0.1389 0.2723 0.1952 -0.0488 -0.0501 -0.0664 479 VAL H CG1 3181 C CG2 . VAL B 159 ? 0.1302 0.2815 0.1655 -0.0545 -0.0338 -0.0423 479 VAL H CG2 3191 N N . LEU B 160 ? 0.0982 0.1794 0.1216 -0.0063 -0.0457 -0.0283 480 LEU H N 3192 C CA . LEU B 160 ? 0.0774 0.1524 0.1292 0.0100 -0.0362 -0.0272 480 LEU H CA 3193 C C . LEU B 160 ? 0.0858 0.1396 0.1354 -0.0087 -0.0144 -0.0169 480 LEU H C 3194 O O . LEU B 160 ? 0.0788 0.1610 0.1469 -0.0089 -0.0281 -0.0128 480 LEU H O 3195 C CB . LEU B 160 ? 0.0989 0.1620 0.1115 -0.0049 -0.0210 -0.0273 480 LEU H CB 3196 C CG . LEU B 160 ? 0.0866 0.1467 0.1248 0.0027 -0.0313 -0.0013 480 LEU H CG 3197 C CD1 . LEU B 160 ? 0.0959 0.1425 0.1098 -0.0055 -0.0145 -0.0128 480 LEU H CD1 3198 C CD2 . LEU B 160 ? 0.1173 0.1528 0.1533 0.0033 -0.0243 0.0126 480 LEU H CD2 3210 N N . GLN B 161 ? 0.0753 0.1329 0.1130 0.0001 -0.0209 -0.0130 481 GLN H N 3211 C CA . GLN B 161 ? 0.0587 0.1437 0.1187 0.0007 -0.0110 -0.0107 481 GLN H CA 3212 C C . GLN B 161 ? 0.0474 0.1326 0.1029 -0.0051 -0.0121 -0.0118 481 GLN H C 3213 O O . GLN B 161 ? 0.0693 0.1531 0.0915 -0.0082 -0.0146 -0.0106 481 GLN H O 3214 C CB . GLN B 161 ? 0.0803 0.1240 0.1146 0.0058 -0.0136 -0.0152 481 GLN H CB 3215 C CG . GLN B 161 ? 0.0769 0.1523 0.1231 0.0149 -0.0322 0.0147 481 GLN H CG 3216 C CD . GLN B 161 ? 0.0700 0.1811 0.1313 0.0043 -0.0371 -0.0265 481 GLN H CD 3217 O OE1 . GLN B 161 ? 0.0876 0.1855 0.1426 0.0148 -0.0097 -0.0229 481 GLN H OE1 3218 N NE2 . GLN B 161 ? 0.0845 0.2205 0.1501 -0.0030 -0.0367 -0.0411 481 GLN H NE2 3227 N N . VAL B 162 ? 0.0719 0.1509 0.0854 -0.0045 -0.0183 -0.0187 482 VAL H N 3228 C CA . VAL B 162 ? 0.0713 0.1426 0.0916 -0.0032 -0.0070 -0.0106 482 VAL H CA 3229 C C . VAL B 162 ? 0.0763 0.1556 0.0865 0.0128 -0.0154 -0.0178 482 VAL H C 3230 O O . VAL B 162 ? 0.0767 0.1591 0.1173 0.0200 -0.0085 -0.0250 482 VAL H O 3231 C CB . VAL B 162 ? 0.0942 0.1634 0.1162 -0.0089 -0.0031 0.0056 482 VAL H CB 3232 C CG1 . VAL B 162 ? 0.1293 0.2125 0.1342 -0.0181 0.0095 0.0064 482 VAL H CG1 3233 C CG2 . VAL B 162 ? 0.1063 0.1898 0.1121 -0.0132 -0.0166 -0.0012 482 VAL H CG2 3243 N N . VAL B 163 ? 0.0683 0.1335 0.0847 0.0024 -0.0088 -0.0211 483 VAL H N 3244 C CA . VAL B 163 ? 0.0735 0.1480 0.1006 0.0161 -0.0126 -0.0169 483 VAL H CA 3245 C C . VAL B 163 ? 0.0772 0.1126 0.0909 0.0123 0.0104 -0.0277 483 VAL H C 3246 O O . VAL B 163 ? 0.0599 0.1388 0.0935 0.0132 0.0083 -0.0108 483 VAL H O 3247 C CB . VAL B 163 ? 0.1478 0.1675 0.1155 0.0344 -0.0435 -0.0290 483 VAL H CB 3248 C CG1 . VAL B 163 ? 0.1498 0.1569 0.1137 -0.0173 -0.0469 0.0080 483 VAL H CG1 3249 C CG2 . VAL B 163 ? 0.2129 0.2080 0.1386 0.0838 -0.0757 -0.0426 483 VAL H CG2 3259 N N . ASN B 164 ? 0.0575 0.1161 0.0964 0.0076 0.0077 -0.0320 484 ASN H N 3260 C CA . ASN B 164 ? 0.0682 0.1141 0.0921 0.0095 0.0001 -0.0105 484 ASN H CA 3261 C C . ASN B 164 ? 0.0702 0.0917 0.0820 0.0065 0.0062 -0.0074 484 ASN H C 3262 O O . ASN B 164 ? 0.0651 0.1191 0.1241 0.0100 0.0040 -0.0189 484 ASN H O 3263 C CB . ASN B 164 ? 0.1086 0.1134 0.1015 -0.0263 0.0187 -0.0051 484 ASN H CB 3264 C CG . ASN B 164 ? 0.1125 0.1410 0.1349 -0.0281 0.0130 -0.0180 484 ASN H CG 3265 O OD1 . ASN B 164 ? 0.1454 0.1231 0.1232 -0.0350 0.0058 -0.0021 484 ASN H OD1 3266 N ND2 . ASN B 164 ? 0.1573 0.1811 0.1851 -0.0512 0.0456 -0.0056 484 ASN H ND2 3273 N N . LEU B 165 ? 0.0617 0.0880 0.0798 -0.0033 -0.0065 -0.0025 485 LEU H N 3274 C CA . LEU B 165 ? 0.0787 0.0739 0.0973 0.0052 -0.0071 -0.0105 485 LEU H CA 3275 C C . LEU B 165 ? 0.0587 0.0888 0.0755 0.0082 -0.0061 0.0065 485 LEU H C 3276 O O . LEU B 165 ? 0.0730 0.0920 0.0749 0.0146 -0.0053 0.0007 485 LEU H O 3277 C CB . LEU B 165 ? 0.0870 0.0977 0.0954 -0.0170 -0.0036 0.0092 485 LEU H CB 3278 C CG . LEU B 165 ? 0.1048 0.1140 0.1050 -0.0251 -0.0370 0.0145 485 LEU H CG 3279 C CD1 . LEU B 165 ? 0.1687 0.1426 0.1070 -0.0437 -0.0048 0.0350 485 LEU H CD1 3280 C CD2 . LEU B 165 ? 0.1504 0.1290 0.1434 0.0012 -0.0706 0.0256 485 LEU H CD2 3292 N N . PRO B 166 ? 0.0809 0.0780 0.0859 0.0061 -0.0082 -0.0005 486 PRO H N 3293 C CA . PRO B 166 ? 0.0939 0.0833 0.0620 -0.0029 0.0147 -0.0054 486 PRO H CA 3294 C C . PRO B 166 ? 0.1024 0.0777 0.0625 0.0180 0.0070 0.0089 486 PRO H C 3295 O O . PRO B 166 ? 0.0832 0.0969 0.0800 0.0101 0.0084 0.0103 486 PRO H O 3296 C CB . PRO B 166 ? 0.0858 0.1128 0.0836 -0.0019 0.0132 -0.0056 486 PRO H CB 3297 C CG . PRO B 166 ? 0.0944 0.1080 0.0981 0.0045 0.0000 -0.0137 486 PRO H CG 3298 C CD . PRO B 166 ? 0.0771 0.0980 0.1156 0.0263 0.0058 -0.0046 486 PRO H CD 3306 N N . ILE B 167 ? 0.0974 0.0714 0.0787 -0.0035 0.0080 0.0079 487 ILE H N 3307 C CA A ILE B 167 ? 0.0905 0.0668 0.0557 0.0047 0.0165 -0.0047 487 ILE H CA 3308 C CA B ILE B 167 ? 0.0937 0.0900 0.0802 0.0049 0.0027 -0.0012 487 ILE H CA 3309 C C . ILE B 167 ? 0.0855 0.1132 0.0673 0.0077 -0.0117 -0.0011 487 ILE H C 3310 O O . ILE B 167 ? 0.1061 0.0973 0.0772 0.0148 0.0095 -0.0078 487 ILE H O 3311 C CB A ILE B 167 ? 0.1087 0.0894 0.0821 -0.0018 -0.0011 -0.0214 487 ILE H CB 3312 C CB B ILE B 167 ? 0.1026 0.1049 0.1057 0.0108 -0.0011 -0.0074 487 ILE H CB 3313 C CG1 A ILE B 167 ? 0.0948 0.0887 0.1402 0.0087 0.0094 -0.0293 487 ILE H CG1 3314 C CG1 B ILE B 167 ? 0.1036 0.1057 0.1166 0.0264 -0.0060 0.0006 487 ILE H CG1 3315 C CG2 A ILE B 167 ? 0.0954 0.0922 0.1217 0.0182 -0.0089 -0.0147 487 ILE H CG2 3316 C CG2 B ILE B 167 ? 0.0978 0.1090 0.1243 0.0122 -0.0067 -0.0253 487 ILE H CG2 3317 C CD1 A ILE B 167 ? 0.1624 0.0868 0.1711 0.0325 -0.0134 -0.0018 487 ILE H CD1 3318 C CD1 B ILE B 167 ? 0.1109 0.0992 0.1159 0.0372 -0.0277 0.0072 487 ILE H CD1 3340 N N . VAL B 168 ? 0.0843 0.0910 0.0836 0.0045 0.0159 -0.0081 488 VAL H N 3341 C CA . VAL B 168 ? 0.0986 0.1057 0.0953 -0.0051 0.0071 -0.0209 488 VAL H CA 3342 C C . VAL B 168 ? 0.0889 0.1000 0.1007 0.0041 0.0080 -0.0071 488 VAL H C 3343 O O . VAL B 168 ? 0.0860 0.1067 0.1285 -0.0043 0.0082 -0.0352 488 VAL H O 3344 C CB . VAL B 168 ? 0.0957 0.0964 0.1155 0.0060 -0.0082 -0.0077 488 VAL H CB 3345 C CG1 . VAL B 168 ? 0.1403 0.0730 0.1432 0.0042 0.0037 -0.0128 488 VAL H CG1 3346 C CG2 . VAL B 168 ? 0.1075 0.0995 0.1307 0.0103 -0.0086 0.0036 488 VAL H CG2 3356 N N . GLU B 169 ? 0.1181 0.1047 0.0874 0.0081 0.0039 -0.0306 489 GLU H N 3357 C CA . GLU B 169 ? 0.1148 0.1353 0.1087 -0.0204 -0.0174 -0.0318 489 GLU H CA 3358 C C . GLU B 169 ? 0.1186 0.0971 0.1026 -0.0123 -0.0083 -0.0293 489 GLU H C 3359 O O . GLU B 169 ? 0.1254 0.1084 0.1290 -0.0049 -0.0082 -0.0167 489 GLU H O 3360 C CB . GLU B 169 ? 0.1850 0.2033 0.1217 -0.0588 0.0010 -0.0575 489 GLU H CB 3361 C CG . GLU B 169 ? 0.2176 0.2298 0.1578 -0.0306 0.0159 -0.0449 489 GLU H CG 3362 C CD . GLU B 169 ? 0.2830 0.2449 0.1729 -0.0161 0.0475 -0.0430 489 GLU H CD 3363 O OE1 . GLU B 169 ? 0.2190 0.2401 0.1809 0.0540 0.0536 -0.0245 489 GLU H OE1 3364 O OE2 . GLU B 169 ? 0.3172 0.2898 0.2051 -0.0404 0.0448 -0.0279 489 GLU H OE2 3371 N N . ARG B 170 ? 0.1101 0.1273 0.1160 -0.0029 -0.0057 -0.0289 490 ARG H N 3372 C CA . ARG B 170 ? 0.1164 0.1188 0.1326 -0.0169 -0.0012 -0.0195 490 ARG H CA 3373 C C . ARG B 170 ? 0.1219 0.1272 0.1339 -0.0184 0.0000 -0.0401 490 ARG H C 3374 O O . ARG B 170 ? 0.1529 0.1299 0.1266 -0.0153 0.0055 -0.0197 490 ARG H O 3375 C CB . ARG B 170 ? 0.1205 0.1355 0.1558 -0.0084 -0.0158 0.0007 490 ARG H CB 3376 C CG . ARG B 170 ? 0.1447 0.1421 0.1756 -0.0103 -0.0116 -0.0149 490 ARG H CG 3377 C CD . ARG B 170 ? 0.1444 0.1653 0.1767 -0.0095 -0.0117 -0.0397 490 ARG H CD 3378 N NE . ARG B 170 ? 0.1394 0.1466 0.1555 -0.0028 -0.0323 -0.0535 490 ARG H NE 3379 C CZ . ARG B 170 ? 0.1390 0.1450 0.1526 -0.0256 -0.0386 -0.0427 490 ARG H CZ 3380 N NH1 . ARG B 170 ? 0.1298 0.1746 0.1408 0.0141 -0.0017 -0.0296 490 ARG H NH1 3381 N NH2 . ARG B 170 ? 0.1799 0.1679 0.1593 -0.0166 -0.0223 -0.0453 490 ARG H NH2 3395 N N . PRO B 171 ? 0.1582 0.1089 0.1433 -0.0330 -0.0121 -0.0321 491 PRO H N 3396 C CA . PRO B 171 ? 0.1848 0.1083 0.1710 -0.0273 -0.0208 -0.0439 491 PRO H CA 3397 C C . PRO B 171 ? 0.1911 0.0871 0.1653 -0.0183 0.0142 -0.0294 491 PRO H C 3398 O O . PRO B 171 ? 0.1836 0.1135 0.1728 -0.0248 -0.0019 -0.0270 491 PRO H O 3399 C CB . PRO B 171 ? 0.2380 0.1121 0.1724 -0.0256 -0.0186 -0.0567 491 PRO H CB 3400 C CG . PRO B 171 ? 0.2559 0.1716 0.1699 -0.0503 -0.0163 -0.0550 491 PRO H CG 3401 C CD . PRO B 171 ? 0.1948 0.1330 0.1379 -0.0417 -0.0192 -0.0188 491 PRO H CD 3409 N N . VAL B 172 ? 0.1534 0.1011 0.1621 -0.0173 -0.0068 -0.0355 492 VAL H N 3410 C CA . VAL B 172 ? 0.1597 0.1060 0.1525 -0.0103 0.0207 -0.0245 492 VAL H CA 3411 C C . VAL B 172 ? 0.1368 0.1028 0.1409 0.0080 -0.0113 -0.0249 492 VAL H C 3412 O O . VAL B 172 ? 0.1584 0.1207 0.1658 0.0059 0.0005 -0.0006 492 VAL H O 3413 C CB . VAL B 172 ? 0.1738 0.1034 0.1725 0.0207 0.0147 -0.0261 492 VAL H CB 3414 C CG1 . VAL B 172 ? 0.1567 0.1454 0.1949 0.0197 0.0164 -0.0137 492 VAL H CG1 3415 C CG2 . VAL B 172 ? 0.1962 0.1511 0.1588 0.0181 0.0339 -0.0451 492 VAL H CG2 3425 N N . CYS B 173 ? 0.1420 0.0900 0.1444 -0.0053 0.0000 -0.0334 493 CYS H N 3426 C CA . CYS B 173 ? 0.1288 0.1228 0.1318 -0.0206 -0.0057 -0.0193 493 CYS H CA 3427 C C . CYS B 173 ? 0.1393 0.0987 0.1326 -0.0250 -0.0054 -0.0203 493 CYS H C 3428 O O . CYS B 173 ? 0.1342 0.1157 0.1443 -0.0218 -0.0064 -0.0031 493 CYS H O 3429 C CB . CYS B 173 ? 0.1532 0.1069 0.1337 -0.0142 0.0056 -0.0118 493 CYS H CB 3430 S SG . CYS B 173 ? 0.1530 0.1149 0.1196 -0.0004 0.0050 -0.0102 493 CYS H SG 3435 N N . LYS B 174 ? 0.1381 0.1126 0.1397 -0.0429 0.0028 -0.0121 494 LYS H N 3436 C CA . LYS B 174 ? 0.1552 0.1375 0.1566 -0.0353 -0.0052 -0.0056 494 LYS H CA 3437 C C . LYS B 174 ? 0.1735 0.1248 0.1595 -0.0544 -0.0053 0.0030 494 LYS H C 3438 O O . LYS B 174 ? 0.1798 0.1238 0.1912 -0.0322 0.0008 0.0094 494 LYS H O 3439 C CB . LYS B 174 ? 0.1568 0.1453 0.1963 -0.0552 -0.0032 -0.0031 494 LYS H CB 3440 C CG . LYS B 174 ? 0.2467 0.2258 0.2557 -0.0590 -0.0332 0.0096 494 LYS H CG 3441 C CD . LYS B 174 ? 0.3273 0.3307 0.3094 -0.0886 -0.0411 -0.0056 494 LYS H CD 3442 C CE . LYS B 174 ? 0.4457 0.4226 0.3727 -0.1148 -0.0502 0.0061 494 LYS H CE 3443 N NZ . LYS B 174 ? 0.5193 0.4818 0.4204 -0.1545 -0.0295 0.0174 494 LYS H NZ 3457 N N . ASP B 175 ? 0.1869 0.1086 0.1599 -0.0236 -0.0020 -0.0129 495 ASP H N 3458 C CA . ASP B 175 ? 0.2276 0.1049 0.1861 -0.0227 -0.0074 -0.0124 495 ASP H CA 3459 C C . ASP B 175 ? 0.1988 0.1055 0.1968 -0.0057 0.0076 -0.0218 495 ASP H C 3460 O O . ASP B 175 ? 0.2458 0.0940 0.2328 0.0055 -0.0405 -0.0115 495 ASP H O 3461 C CB . ASP B 175 ? 0.2950 0.1453 0.2124 -0.0244 -0.0116 -0.0605 495 ASP H CB 3462 C CG . ASP B 175 ? 0.4090 0.2568 0.2762 -0.0777 -0.0009 -0.0754 495 ASP H CG 3463 O OD1 . ASP B 175 ? 0.4060 0.3207 0.3170 -0.1037 -0.0321 -0.0713 495 ASP H OD1 3464 O OD2 . ASP B 175 ? 0.4511 0.2756 0.2882 -0.0989 0.0131 -0.0796 495 ASP H OD2 3469 N N . SER B 176 ? 0.1608 0.1084 0.1641 0.0020 0.0049 -0.0114 496 SER H N 3470 C CA . SER B 176 ? 0.1552 0.1128 0.1744 0.0091 0.0024 0.0182 496 SER H CA 3471 C C . SER B 176 ? 0.1498 0.1064 0.1804 0.0045 0.0208 0.0062 496 SER H C 3472 O O . SER B 176 ? 0.1563 0.1376 0.1681 0.0114 -0.0021 0.0289 496 SER H O 3473 C CB . SER B 176 ? 0.1485 0.0945 0.1706 -0.0068 0.0104 -0.0013 496 SER H CB 3474 O OG . SER B 176 ? 0.1472 0.1015 0.1621 -0.0051 0.0057 -0.0041 496 SER H OG 3480 N N . THR B 177 ? 0.1644 0.0963 0.1662 -0.0067 0.0254 0.0039 497 THR H N 3481 C CA . THR B 177 ? 0.1422 0.1161 0.1857 -0.0281 0.0112 0.0073 497 THR H CA 3482 C C . THR B 177 ? 0.1647 0.1069 0.1904 -0.0288 0.0153 0.0234 497 THR H C 3483 O O . THR B 177 ? 0.1681 0.1195 0.2068 -0.0244 0.0094 0.0004 497 THR H O 3484 C CB . THR B 177 ? 0.1409 0.1307 0.1662 -0.0211 0.0061 0.0016 497 THR H CB 3485 O OG1 . THR B 177 ? 0.1517 0.1347 0.1718 -0.0189 0.0197 0.0306 497 THR H OG1 3486 C CG2 . THR B 177 ? 0.1779 0.1296 0.1408 -0.0010 0.0083 0.0012 497 THR H CG2 3494 N N . ARG B 178 ? 0.1632 0.1056 0.2262 -0.0254 0.0197 0.0377 498 ARG H N 3495 C CA . ARG B 178 ? 0.1770 0.1146 0.2683 -0.0264 0.0433 0.0522 498 ARG H CA 3496 C C . ARG B 178 ? 0.1609 0.1450 0.2469 -0.0289 0.0240 0.0252 498 ARG H C 3497 O O . ARG B 178 ? 0.1675 0.1613 0.2935 -0.0509 0.0320 0.0339 498 ARG H O 3498 C CB . ARG B 178 ? 0.2270 0.1194 0.3223 -0.0093 0.0551 0.0684 498 ARG H CB 3499 C CG . ARG B 178 ? 0.3522 0.1503 0.4004 0.0063 0.0707 0.0746 498 ARG H CG 3500 C CD . ARG B 178 ? 0.4774 0.2734 0.4673 0.0430 0.0677 0.0121 498 ARG H CD 3501 N NE . ARG B 178 ? 0.6139 0.4064 0.5121 0.0189 0.0522 0.0027 498 ARG H NE 3502 C CZ . ARG B 178 ? 0.6694 0.4587 0.5288 0.0088 0.0404 0.0086 498 ARG H CZ 3503 N NH1 . ARG B 178 ? 0.6845 0.4353 0.5318 -0.0022 0.0490 0.0010 498 ARG H NH1 3504 N NH2 . ARG B 178 ? 0.6886 0.5076 0.5400 -0.0075 0.0229 0.0197 498 ARG H NH2 3518 N N . ILE B 179 ? 0.1422 0.1321 0.2083 -0.0190 -0.0028 0.0409 499 ILE H N 3519 C CA . ILE B 179 ? 0.1358 0.1429 0.1837 0.0019 0.0160 0.0242 499 ILE H CA 3520 C C . ILE B 179 ? 0.1363 0.1051 0.1728 -0.0216 0.0147 0.0116 499 ILE H C 3521 O O . ILE B 179 ? 0.1531 0.1230 0.1703 -0.0025 0.0254 0.0073 499 ILE H O 3522 C CB . ILE B 179 ? 0.1385 0.1683 0.1655 -0.0301 0.0001 -0.0118 499 ILE H CB 3523 C CG1 . ILE B 179 ? 0.1909 0.2424 0.2192 -0.0057 0.0273 -0.0042 499 ILE H CG1 3524 C CG2 . ILE B 179 ? 0.1550 0.1637 0.2035 -0.0233 0.0319 -0.0396 499 ILE H CG2 3525 C CD1 . ILE B 179 ? 0.2192 0.2637 0.2302 -0.0484 -0.0142 0.0306 499 ILE H CD1 3537 N N . ARG B 180 ? 0.1414 0.1210 0.1540 -0.0068 -0.0038 0.0185 500 ARG H N 3538 C CA . ARG B 180 ? 0.1475 0.1157 0.1536 -0.0234 -0.0056 0.0158 500 ARG H CA 3539 C C . ARG B 180 ? 0.1588 0.1067 0.1475 -0.0172 -0.0176 -0.0116 500 ARG H C 3540 O O . ARG B 180 ? 0.2707 0.1245 0.1591 -0.0212 0.0384 -0.0019 500 ARG H O 3541 C CB . ARG B 180 ? 0.1464 0.1643 0.1654 -0.0440 -0.0030 0.0005 500 ARG H CB 3542 C CG . ARG B 180 ? 0.1348 0.2268 0.1852 -0.0222 -0.0259 -0.0167 500 ARG H CG 3543 C CD . ARG B 180 ? 0.1550 0.2460 0.1859 -0.0431 -0.0444 -0.0263 500 ARG H CD 3544 N NE . ARG B 180 ? 0.1411 0.2258 0.1905 -0.0276 -0.0241 0.0099 500 ARG H NE 3545 C CZ . ARG B 180 ? 0.1577 0.2468 0.1924 -0.0133 -0.0663 0.0209 500 ARG H CZ 3546 N NH1 . ARG B 180 ? 0.1886 0.2474 0.2347 -0.0040 -0.0131 -0.0025 500 ARG H NH1 3547 N NH2 . ARG B 180 ? 0.1365 0.3104 0.2086 -0.0207 -0.0409 0.0278 500 ARG H NH2 3561 N N . ILE B 181 ? 0.1376 0.0888 0.1390 -0.0201 -0.0014 -0.0183 501 ILE H N 3562 C CA A ILE B 181 ? 0.0991 0.0931 0.1529 -0.0166 -0.0106 -0.0207 501 ILE H CA 3563 C CA B ILE B 181 ? 0.1261 0.0989 0.1548 -0.0146 -0.0029 -0.0147 501 ILE H CA 3564 C C . ILE B 181 ? 0.1200 0.0998 0.1407 -0.0208 -0.0197 -0.0190 501 ILE H C 3565 O O . ILE B 181 ? 0.1327 0.1051 0.1826 -0.0282 -0.0260 -0.0249 501 ILE H O 3566 C CB A ILE B 181 ? 0.1330 0.0906 0.1954 -0.0144 0.0044 -0.0042 501 ILE H CB 3567 C CB B ILE B 181 ? 0.1366 0.1083 0.1961 -0.0074 0.0100 -0.0054 501 ILE H CB 3568 C CG1 A ILE B 181 ? 0.1679 0.0984 0.1853 0.0035 0.0199 0.0088 501 ILE H CG1 3569 C CG1 B ILE B 181 ? 0.1653 0.1201 0.2139 -0.0130 0.0304 0.0068 501 ILE H CG1 3570 C CG2 A ILE B 181 ? 0.1231 0.1038 0.2333 -0.0055 -0.0104 0.0072 501 ILE H CG2 3571 C CG2 B ILE B 181 ? 0.1506 0.1178 0.2179 0.0293 0.0114 0.0010 501 ILE H CG2 3572 C CD1 A ILE B 181 ? 0.1811 0.1402 0.1955 0.0168 0.0645 0.0117 501 ILE H CD1 3573 C CD1 B ILE B 181 ? 0.1789 0.1189 0.2107 -0.0203 0.0331 -0.0117 501 ILE H CD1 3595 N N . THR B 182 ? 0.1068 0.0884 0.1245 -0.0239 -0.0147 -0.0126 502 THR H N 3596 C CA . THR B 182 ? 0.1050 0.0947 0.1128 -0.0217 -0.0072 -0.0138 502 THR H CA 3597 C C . THR B 182 ? 0.0990 0.0934 0.1231 -0.0133 -0.0279 -0.0335 502 THR H C 3598 O O . THR B 182 ? 0.0876 0.0996 0.1233 -0.0182 -0.0106 -0.0213 502 THR H O 3599 C CB . THR B 182 ? 0.1154 0.0882 0.1489 -0.0319 -0.0020 -0.0062 502 THR H CB 3600 O OG1 . THR B 182 ? 0.1179 0.0920 0.1241 -0.0255 0.0120 -0.0121 502 THR H OG1 3601 C CG2 . THR B 182 ? 0.1225 0.1069 0.1536 -0.0304 0.0085 -0.0008 502 THR H CG2 3609 N N . ASP B 183 ? 0.0612 0.1185 0.1087 -0.0360 -0.0140 -0.0210 503 ASP H N 3610 C CA . ASP B 183 ? 0.0949 0.1104 0.1079 -0.0247 0.0066 -0.0164 503 ASP H CA 3611 C C . ASP B 183 ? 0.0693 0.0987 0.1014 -0.0193 0.0048 -0.0064 503 ASP H C 3612 O O . ASP B 183 ? 0.1103 0.0957 0.1102 -0.0235 0.0037 -0.0028 503 ASP H O 3613 C CB . ASP B 183 ? 0.1088 0.1248 0.1207 -0.0190 -0.0372 -0.0040 503 ASP H CB 3614 C CG . ASP B 183 ? 0.1308 0.1473 0.1552 -0.0059 -0.0500 -0.0321 503 ASP H CG 3615 O OD1 . ASP B 183 ? 0.1689 0.1725 0.1647 -0.0112 -0.0322 -0.0474 503 ASP H OD1 3616 O OD2 . ASP B 183 ? 0.1858 0.1855 0.1979 -0.0035 -0.0893 -0.0495 503 ASP H OD2 3621 N N . ASN B 184 ? 0.0655 0.0896 0.1122 -0.0238 0.0016 -0.0026 504 ASN H N 3622 C CA . ASN B 184 ? 0.0659 0.0956 0.1113 -0.0221 0.0006 -0.0157 504 ASN H CA 3623 C C . ASN B 184 ? 0.0783 0.0799 0.1089 -0.0256 -0.0168 -0.0083 504 ASN H C 3624 O O . ASN B 184 ? 0.0785 0.0883 0.1030 -0.0231 0.0042 -0.0099 504 ASN H O 3625 C CB . ASN B 184 ? 0.0769 0.0935 0.1170 -0.0076 -0.0182 -0.0223 504 ASN H CB 3626 C CG . ASN B 184 ? 0.0959 0.0958 0.1112 0.0041 -0.0126 0.0030 504 ASN H CG 3627 O OD1 . ASN B 184 ? 0.0910 0.1298 0.1453 0.0106 0.0036 0.0081 504 ASN H OD1 3628 N ND2 . ASN B 184 ? 0.0735 0.1506 0.1360 -0.0263 0.0110 -0.0022 504 ASN H ND2 3635 N N . MET B 185 ? 0.0679 0.0865 0.1168 -0.0189 -0.0069 -0.0256 505 MET H N 3636 C CA . MET B 185 ? 0.0682 0.0995 0.1060 -0.0041 -0.0029 0.0014 505 MET H CA 3637 C C . MET B 185 ? 0.0666 0.0905 0.1154 -0.0083 0.0022 -0.0232 505 MET H C 3638 O O . MET B 185 ? 0.0855 0.1248 0.1305 -0.0329 -0.0076 -0.0441 505 MET H O 3639 C CB . MET B 185 ? 0.0829 0.1664 0.1539 0.0187 0.0034 0.0223 505 MET H CB 3640 C CG . MET B 185 ? 0.1276 0.1352 0.1560 -0.0333 0.0103 0.0227 505 MET H CG 3641 S SD . MET B 185 ? 0.1264 0.0954 0.1137 -0.0257 -0.0039 -0.0022 505 MET H SD 3642 C CE . MET B 185 ? 0.1542 0.1805 0.1515 -0.0008 0.0035 -0.0255 505 MET H CE 3652 N N . PHE B 186 ? 0.0606 0.1004 0.0947 -0.0180 0.0041 -0.0115 506 PHE H N 3653 C CA . PHE B 186 ? 0.0754 0.1010 0.0871 -0.0003 0.0058 0.0002 506 PHE H CA 3654 C C . PHE B 186 ? 0.0777 0.0878 0.0891 -0.0025 0.0216 -0.0052 506 PHE H C 3655 O O . PHE B 186 ? 0.0828 0.0918 0.0852 0.0099 0.0083 -0.0089 506 PHE H O 3656 C CB . PHE B 186 ? 0.1025 0.0803 0.0874 0.0015 0.0147 -0.0116 506 PHE H CB 3657 C CG . PHE B 186 ? 0.0984 0.0744 0.0740 0.0102 -0.0006 -0.0051 506 PHE H CG 3658 C CD1 . PHE B 186 ? 0.0888 0.0891 0.1088 -0.0062 0.0176 0.0008 506 PHE H CD1 3659 C CD2 . PHE B 186 ? 0.0863 0.0903 0.0758 -0.0003 0.0021 -0.0067 506 PHE H CD2 3660 C CE1 . PHE B 186 ? 0.1022 0.0896 0.1069 -0.0033 0.0327 -0.0008 506 PHE H CE1 3661 C CE2 . PHE B 186 ? 0.0866 0.0863 0.1036 0.0202 0.0029 -0.0170 506 PHE H CE2 3662 C CZ . PHE B 186 ? 0.1007 0.0894 0.0954 -0.0091 0.0140 0.0112 506 PHE H CZ 3672 N N . CYS B 187 ? 0.0612 0.1091 0.0873 -0.0031 0.0004 -0.0137 507 CYS H N 3673 C CA . CYS B 187 ? 0.0750 0.0884 0.0852 0.0094 0.0048 -0.0112 507 CYS H CA 3674 C C . CYS B 187 ? 0.0766 0.0891 0.0777 0.0038 0.0087 -0.0038 507 CYS H C 3675 O O . CYS B 187 ? 0.0934 0.1012 0.0939 0.0036 0.0103 -0.0079 507 CYS H O 3676 C CB . CYS B 187 ? 0.1096 0.0914 0.1136 0.0085 0.0080 -0.0173 507 CYS H CB 3677 S SG . CYS B 187 ? 0.1247 0.0966 0.1199 0.0011 0.0107 -0.0116 507 CYS H SG 3682 N N . ALA B 188 ? 0.0698 0.0898 0.0911 -0.0016 0.0088 -0.0035 508 ALA H N 3683 C CA . ALA B 188 ? 0.0730 0.0771 0.0939 -0.0021 0.0235 -0.0039 508 ALA H CA 3684 C C . ALA B 188 ? 0.0831 0.0756 0.1008 0.0175 0.0002 -0.0013 508 ALA H C 3685 O O . ALA B 188 ? 0.0825 0.1190 0.1076 0.0089 0.0135 0.0235 508 ALA H O 3686 C CB . ALA B 188 ? 0.0860 0.1137 0.0867 -0.0052 0.0067 0.0161 508 ALA H CB 3692 N N . GLY B 189 ? 0.0615 0.0981 0.0904 0.0302 0.0112 0.0075 509 GLY H N 3693 C CA . GLY B 189 ? 0.0833 0.0882 0.1070 0.0084 0.0131 -0.0009 509 GLY H CA 3694 C C . GLY B 189 ? 0.0663 0.0870 0.0926 0.0233 0.0074 0.0010 509 GLY H C 3695 O O . GLY B 189 ? 0.0807 0.1126 0.0987 0.0160 0.0040 -0.0102 509 GLY H O 3699 N N . TYR B 190 ? 0.0805 0.0964 0.0959 0.0196 -0.0048 -0.0017 510 TYR H N 3700 C CA . TYR B 190 ? 0.0825 0.1117 0.1010 0.0250 0.0207 -0.0102 510 TYR H CA 3701 C C . TYR B 190 ? 0.0850 0.1248 0.0941 0.0181 0.0053 -0.0065 510 TYR H C 3702 O O . TYR B 190 ? 0.1193 0.1140 0.1080 0.0134 0.0087 -0.0085 510 TYR H O 3703 C CB . TYR B 190 ? 0.0902 0.1133 0.1059 0.0191 0.0162 -0.0142 510 TYR H CB 3704 C CG . TYR B 190 ? 0.0742 0.1100 0.1180 0.0094 0.0126 0.0183 510 TYR H CG 3705 C CD1 . TYR B 190 ? 0.0857 0.1094 0.1303 0.0177 0.0257 0.0044 510 TYR H CD1 3706 C CD2 . TYR B 190 ? 0.0729 0.1113 0.1275 -0.0029 0.0109 -0.0127 510 TYR H CD2 3707 C CE1 . TYR B 190 ? 0.0979 0.1211 0.1178 0.0223 0.0165 0.0011 510 TYR H CE1 3708 C CE2 . TYR B 190 ? 0.1022 0.1092 0.1313 0.0055 0.0149 -0.0139 510 TYR H CE2 3709 C CZ . TYR B 190 ? 0.1061 0.1131 0.1475 0.0060 0.0297 0.0038 510 TYR H CZ 3710 O OH . TYR B 190 ? 0.1566 0.1186 0.1742 -0.0048 0.0105 0.0117 510 TYR H OH 3720 N N . LYS B 191 ? 0.1199 0.0977 0.1046 -0.0009 0.0164 -0.0037 511 LYS H N 3721 C CA A LYS B 191 ? 0.1114 0.1104 0.1388 0.0006 0.0311 -0.0257 511 LYS H CA 3722 C CA B LYS B 191 ? 0.1059 0.1085 0.1376 0.0034 0.0327 -0.0286 511 LYS H CA 3723 C C . LYS B 191 ? 0.1160 0.1081 0.1619 0.0041 0.0481 -0.0220 511 LYS H C 3724 O O . LYS B 191 ? 0.1077 0.1063 0.1670 0.0066 0.0402 -0.0157 511 LYS H O 3725 C CB A LYS B 191 ? 0.1455 0.1368 0.1562 -0.0180 0.0178 -0.0402 511 LYS H CB 3726 C CB B LYS B 191 ? 0.1491 0.1367 0.1534 -0.0193 0.0204 -0.0424 511 LYS H CB 3727 C CG A LYS B 191 ? 0.1521 0.1602 0.1732 -0.0099 -0.0030 -0.0298 511 LYS H CG 3728 C CG B LYS B 191 ? 0.1562 0.1452 0.1641 0.0029 0.0055 -0.0308 511 LYS H CG 3729 C CD A LYS B 191 ? 0.1649 0.2450 0.2198 -0.0052 -0.0505 -0.0345 511 LYS H CD 3730 C CD B LYS B 191 ? 0.1806 0.2439 0.2139 0.0323 -0.0400 -0.0396 511 LYS H CD 3731 C CE A LYS B 191 ? 0.1760 0.3084 0.2536 0.0252 -0.0458 -0.0404 511 LYS H CE 3732 C CE B LYS B 191 ? 0.1544 0.3272 0.2225 0.0367 -0.0565 -0.0429 511 LYS H CE 3733 N NZ A LYS B 191 ? 0.1781 0.3221 0.2814 0.0277 -0.0314 -0.0336 511 LYS H NZ 3734 N NZ B LYS B 191 ? 0.1860 0.3623 0.2219 0.0618 -0.0881 -0.0186 511 LYS H NZ 3760 N N . PRO B 192 ? 0.1183 0.1024 0.2056 -0.0016 0.0493 -0.0030 512 PRO H N 3761 C CA . PRO B 192 ? 0.1261 0.1045 0.2199 0.0264 0.0411 -0.0001 512 PRO H CA 3762 C C . PRO B 192 ? 0.0936 0.1240 0.2185 0.0105 0.0226 -0.0357 512 PRO H C 3763 O O . PRO B 192 ? 0.1189 0.1171 0.2354 0.0182 0.0340 -0.0278 512 PRO H O 3764 C CB . PRO B 192 ? 0.1632 0.1262 0.2471 0.0248 0.0518 0.0144 512 PRO H CB 3765 C CG . PRO B 192 ? 0.1566 0.1334 0.2401 0.0129 0.0629 0.0166 512 PRO H CG 3766 C CD . PRO B 192 ? 0.1322 0.1084 0.2055 0.0045 0.0534 0.0080 512 PRO H CD 3774 N N . ASP B 193 ? 0.1003 0.1430 0.2036 -0.0033 0.0353 -0.0415 513 ASP H N 3775 C CA . ASP B 193 ? 0.1279 0.1396 0.2120 0.0108 0.0580 -0.0431 513 ASP H CA 3776 C C . ASP B 193 ? 0.1026 0.1359 0.1796 0.0124 0.0405 -0.0436 513 ASP H C 3777 O O . ASP B 193 ? 0.1384 0.1398 0.1614 0.0241 0.0538 -0.0501 513 ASP H O 3778 C CB . ASP B 193 ? 0.1717 0.2117 0.2359 -0.0220 0.0295 -0.0970 513 ASP H CB 3779 C CG . ASP B 193 ? 0.2018 0.2754 0.3025 -0.0799 -0.0303 -0.0916 513 ASP H CG 3780 O OD1 . ASP B 193 ? 0.2704 0.3762 0.3877 -0.0848 -0.0759 0.0095 513 ASP H OD1 3781 O OD2 . ASP B 193 ? 0.1703 0.2945 0.3798 0.0363 -0.0349 -0.1306 513 ASP H OD2 3786 N N . GLU B 194 ? 0.1067 0.1180 0.1523 0.0049 0.0270 -0.0467 514 GLU H N 3787 C CA . GLU B 194 ? 0.1011 0.1210 0.1353 0.0181 0.0182 -0.0329 514 GLU H CA 3788 C C . GLU B 194 ? 0.1040 0.1127 0.1444 0.0415 0.0266 -0.0133 514 GLU H C 3789 O O . GLU B 194 ? 0.1072 0.1266 0.1527 0.0093 0.0422 -0.0103 514 GLU H O 3790 C CB . GLU B 194 ? 0.1032 0.1188 0.1227 0.0311 0.0228 -0.0268 514 GLU H CB 3791 C CG . GLU B 194 ? 0.1338 0.1511 0.1221 0.0264 0.0101 -0.0069 514 GLU H CG 3792 C CD . GLU B 194 ? 0.1393 0.2077 0.1265 0.0642 0.0384 0.0073 514 GLU H CD 3793 O OE1 . GLU B 194 ? 0.2337 0.3273 0.1530 0.1267 0.0673 0.0442 514 GLU H OE1 3794 O OE2 . GLU B 194 ? 0.1168 0.1348 0.1299 0.0285 0.0246 -0.0151 514 GLU H OE2 3801 N N . GLY B 195 ? 0.1056 0.1168 0.1580 0.0351 0.0081 -0.0021 515 GLY H N 3802 C CA . GLY B 195 ? 0.0868 0.1422 0.2233 0.0344 -0.0337 -0.0123 515 GLY H CA 3803 C C . GLY B 195 ? 0.1077 0.1431 0.2062 0.0192 -0.0200 -0.0070 515 GLY H C 3804 O O . GLY B 195 ? 0.1095 0.1686 0.2115 0.0192 0.0052 -0.0036 515 GLY H O 3808 N N . LYS B 196 ? 0.0867 0.1716 0.1251 0.0132 0.0153 -0.0147 516 LYS H N 3809 C CA A LYS B 196 ? 0.0879 0.1619 0.1145 0.0119 0.0084 -0.0035 516 LYS H CA 3810 C CA B LYS B 196 ? 0.0793 0.1559 0.1123 0.0059 0.0147 0.0079 516 LYS H CA 3811 C C . LYS B 196 ? 0.0767 0.1356 0.1306 0.0129 0.0301 0.0107 516 LYS H C 3812 O O . LYS B 196 ? 0.0785 0.1675 0.1590 0.0054 0.0299 0.0081 516 LYS H O 3813 C CB A LYS B 196 ? 0.1219 0.1872 0.1194 0.0237 0.0039 -0.0211 516 LYS H CB 3814 C CB B LYS B 196 ? 0.0997 0.1773 0.1223 0.0176 0.0360 0.0026 516 LYS H CB 3815 C CG A LYS B 196 ? 0.1656 0.1910 0.1282 0.0326 -0.0127 -0.0410 516 LYS H CG 3816 C CG B LYS B 196 ? 0.1360 0.1637 0.1408 0.0227 0.0577 -0.0003 516 LYS H CG 3817 C CD A LYS B 196 ? 0.1883 0.1996 0.1335 0.0388 -0.0277 -0.0428 516 LYS H CD 3818 C CD B LYS B 196 ? 0.1582 0.1375 0.1569 0.0190 0.0787 0.0112 516 LYS H CD 3819 C CE A LYS B 196 ? 0.2213 0.2072 0.1734 0.0367 -0.0071 -0.0286 516 LYS H CE 3820 C CE B LYS B 196 ? 0.1724 0.1737 0.1758 0.0072 0.0496 0.0270 516 LYS H CE 3821 N NZ A LYS B 196 ? 0.2190 0.1865 0.2070 0.0460 0.0098 -0.0341 516 LYS H NZ 3822 N NZ B LYS B 196 ? 0.1658 0.1582 0.1719 0.0301 0.0535 0.0066 516 LYS H NZ 3848 N N . ARG B 197 ? 0.0937 0.1607 0.1084 -0.0136 0.0260 -0.0020 517 ARG H N 3849 C CA . ARG B 197 ? 0.1149 0.1684 0.1057 0.0243 0.0373 0.0069 517 ARG H CA 3850 C C . ARG B 197 ? 0.0781 0.1598 0.1158 0.0072 0.0044 0.0208 517 ARG H C 3851 O O . ARG B 197 ? 0.1260 0.1706 0.1147 0.0039 0.0232 0.0162 517 ARG H O 3852 C CB . ARG B 197 ? 0.1334 0.1873 0.1359 0.0679 0.0319 0.0406 517 ARG H CB 3853 C CG . ARG B 197 ? 0.1309 0.2116 0.1623 0.0626 0.0337 0.0412 517 ARG H CG 3854 C CD . ARG B 197 ? 0.1299 0.2189 0.2025 0.0546 0.0323 0.0396 517 ARG H CD 3855 N NE . ARG B 197 ? 0.1430 0.2084 0.2047 0.0586 0.0427 0.0205 517 ARG H NE 3856 C CZ . ARG B 197 ? 0.1674 0.1941 0.2208 0.0491 0.0308 0.0130 517 ARG H CZ 3857 N NH1 . ARG B 197 ? 0.1714 0.2331 0.2490 0.0400 0.0721 0.0011 517 ARG H NH1 3858 N NH2 . ARG B 197 ? 0.1315 0.2133 0.2260 0.0511 0.0546 -0.0092 517 ARG H NH2 3872 N N . GLY B 198 ? 0.0894 0.1324 0.1051 0.0223 0.0233 0.0135 518 GLY H N 3873 C CA . GLY B 198 ? 0.0847 0.1253 0.1013 0.0236 0.0025 0.0053 518 GLY H CA 3874 C C . GLY B 198 ? 0.0671 0.1066 0.1021 0.0156 0.0076 0.0073 518 GLY H C 3875 O O . GLY B 198 ? 0.0892 0.1142 0.1174 -0.0008 0.0033 0.0091 518 GLY H O 3879 N N . ASP B 199 ? 0.0775 0.1119 0.1050 0.0174 0.0064 0.0065 519 ASP H N 3880 C CA . ASP B 199 ? 0.0927 0.0949 0.0921 0.0107 0.0057 0.0120 519 ASP H CA 3881 C C . ASP B 199 ? 0.0859 0.0964 0.1015 0.0184 -0.0097 0.0013 519 ASP H C 3882 O O . ASP B 199 ? 0.0934 0.1277 0.1322 0.0136 -0.0224 -0.0210 519 ASP H O 3883 C CB . ASP B 199 ? 0.0815 0.1097 0.1095 0.0082 -0.0091 0.0118 519 ASP H CB 3884 C CG . ASP B 199 ? 0.1220 0.0770 0.1066 0.0177 -0.0090 0.0107 519 ASP H CG 3885 O OD1 . ASP B 199 ? 0.0950 0.1030 0.1036 0.0113 0.0027 0.0046 519 ASP H OD1 3886 O OD2 . ASP B 199 ? 0.0992 0.1033 0.1211 0.0104 0.0056 0.0094 519 ASP H OD2 3891 N N . ALA B 200 ? 0.0791 0.1029 0.1184 0.0175 -0.0063 -0.0068 520 ALA H N 3892 C CA . ALA B 200 ? 0.0886 0.1062 0.1150 0.0244 -0.0004 -0.0046 520 ALA H CA 3893 C C . ALA B 200 ? 0.0983 0.0934 0.1296 0.0239 -0.0099 -0.0094 520 ALA H C 3894 O O . ALA B 200 ? 0.1233 0.1092 0.1277 0.0214 -0.0231 0.0029 520 ALA H O 3895 C CB . ALA B 200 ? 0.1030 0.1300 0.0954 0.0215 -0.0004 -0.0011 520 ALA H CB 3901 N N . CYS B 201 ? 0.1307 0.1075 0.1144 0.0159 -0.0079 0.0047 521 CYS H N 3902 C CA . CYS B 201 ? 0.1503 0.1127 0.1279 0.0167 -0.0187 -0.0038 521 CYS H CA 3903 C C . CYS B 201 ? 0.1354 0.0881 0.1394 0.0248 -0.0109 0.0112 521 CYS H C 3904 O O . CYS B 201 ? 0.1238 0.1297 0.1074 0.0116 -0.0074 0.0080 521 CYS H O 3905 C CB . CYS B 201 ? 0.1385 0.1968 0.1290 0.0721 -0.0301 0.0188 521 CYS H CB 3906 S SG . CYS B 201 ? 0.1909 0.1962 0.1692 0.0475 -0.0251 0.0319 521 CYS H SG 3911 N N . GLU B 202 ? 0.1687 0.1169 0.1399 0.0168 0.0037 0.0278 522 GLU H N 3912 C CA A GLU B 202 ? 0.1746 0.1643 0.1586 0.0067 0.0005 0.0286 522 GLU H CA 3913 C CA B GLU B 202 ? 0.1395 0.1488 0.1258 0.0142 -0.0106 0.0365 522 GLU H CA 3914 C C . GLU B 202 ? 0.1245 0.1556 0.1275 -0.0051 -0.0114 0.0289 522 GLU H C 3915 O O . GLU B 202 ? 0.1310 0.1629 0.1589 0.0048 -0.0074 0.0156 522 GLU H O 3916 C CB A GLU B 202 ? 0.2722 0.2218 0.2201 0.0081 0.0119 0.0363 522 GLU H CB 3917 C CB B GLU B 202 ? 0.2578 0.1937 0.2004 0.0059 0.0142 0.0360 522 GLU H CB 3918 C CG A GLU B 202 ? 0.3768 0.2941 0.2832 0.0041 0.0272 0.0504 522 GLU H CG 3919 C CG B GLU B 202 ? 0.3791 0.2872 0.2819 0.0047 0.0489 0.0501 522 GLU H CG 3920 C CD A GLU B 202 ? 0.4790 0.3620 0.3355 0.0056 0.0189 0.0678 522 GLU H CD 3921 C CD B GLU B 202 ? 0.4862 0.3674 0.3422 0.0060 0.0160 0.0660 522 GLU H CD 3922 O OE1 A GLU B 202 ? 0.5125 0.3768 0.3634 -0.0098 0.0170 0.0742 522 GLU H OE1 3923 O OE1 B GLU B 202 ? 0.5254 0.3825 0.3786 -0.0081 0.0119 0.0793 522 GLU H OE1 3924 O OE2 A GLU B 202 ? 0.5245 0.3971 0.3432 0.0242 0.0140 0.0809 522 GLU H OE2 3925 O OE2 B GLU B 202 ? 0.5410 0.4154 0.3414 0.0305 0.0136 0.0886 522 GLU H OE2 3937 N N . GLY B 203 ? 0.1137 0.1519 0.1090 -0.0060 -0.0064 0.0390 523 GLY H N 3938 C CA . GLY B 203 ? 0.1220 0.1531 0.1134 -0.0177 -0.0064 0.0223 523 GLY H CA 3939 C C . GLY B 203 ? 0.1189 0.1402 0.0825 -0.0037 -0.0171 -0.0015 523 GLY H C 3940 O O . GLY B 203 ? 0.1524 0.1469 0.0898 -0.0116 -0.0039 -0.0146 523 GLY H O 3944 N N . ASP B 204 ? 0.1083 0.1214 0.0837 0.0087 -0.0128 0.0078 524 ASP H N 3945 C CA . ASP B 204 ? 0.0881 0.0984 0.0802 0.0135 -0.0108 0.0068 524 ASP H CA 3946 C C . ASP B 204 ? 0.1011 0.0802 0.0764 0.0083 0.0101 -0.0011 524 ASP H C 3947 O O . ASP B 204 ? 0.0767 0.0918 0.0782 -0.0042 -0.0062 0.0092 524 ASP H O 3948 C CB . ASP B 204 ? 0.0990 0.1086 0.0669 0.0025 -0.0100 -0.0090 524 ASP H CB 3949 C CG . ASP B 204 ? 0.0837 0.1471 0.0900 0.0036 -0.0285 -0.0101 524 ASP H CG 3950 O OD1 . ASP B 204 ? 0.0948 0.1507 0.0927 -0.0004 -0.0197 -0.0195 524 ASP H OD1 3951 O OD2 . ASP B 204 ? 0.0958 0.1227 0.1127 0.0089 -0.0030 0.0097 524 ASP H OD2 3956 N N . SER B 205 ? 0.0851 0.1121 0.0889 0.0050 -0.0120 0.0059 525 SER H N 3957 C CA . SER B 205 ? 0.1153 0.0898 0.0816 0.0018 -0.0080 0.0101 525 SER H CA 3958 C C . SER B 205 ? 0.0854 0.0982 0.0539 -0.0102 0.0035 0.0021 525 SER H C 3959 O O . SER B 205 ? 0.1060 0.1027 0.0732 -0.0025 -0.0105 -0.0116 525 SER H O 3960 C CB . SER B 205 ? 0.1199 0.1015 0.1033 0.0138 0.0007 0.0195 525 SER H CB 3961 O OG . SER B 205 ? 0.1543 0.1117 0.1139 -0.0052 0.0085 0.0257 525 SER H OG 3967 N N . GLY B 206 ? 0.0802 0.0913 0.0707 -0.0121 -0.0035 -0.0053 526 GLY H N 3968 C CA . GLY B 206 ? 0.0862 0.0888 0.0792 -0.0076 0.0057 0.0010 526 GLY H CA 3969 C C . GLY B 206 ? 0.0852 0.0945 0.0677 0.0039 0.0057 -0.0087 526 GLY H C 3970 O O . GLY B 206 ? 0.0952 0.0883 0.0743 -0.0008 -0.0028 -0.0032 526 GLY H O 3974 N N . GLY B 207 ? 0.0849 0.0801 0.0669 -0.0082 -0.0022 -0.0042 527 GLY H N 3975 C CA . GLY B 207 ? 0.0765 0.0888 0.0769 -0.0186 -0.0077 0.0104 527 GLY H CA 3976 C C . GLY B 207 ? 0.0675 0.0728 0.0857 -0.0223 -0.0033 -0.0099 527 GLY H C 3977 O O . GLY B 207 ? 0.0826 0.0852 0.0761 -0.0150 0.0006 0.0014 527 GLY H O 3981 N N . PRO B 208 ? 0.0708 0.0850 0.0756 -0.0186 -0.0008 -0.0074 528 PRO H N 3982 C CA . PRO B 208 ? 0.0723 0.1015 0.0735 -0.0125 0.0027 -0.0054 528 PRO H CA 3983 C C . PRO B 208 ? 0.0593 0.0942 0.0825 -0.0005 0.0148 0.0098 528 PRO H C 3984 O O . PRO B 208 ? 0.0803 0.1453 0.0931 -0.0117 0.0067 -0.0166 528 PRO H O 3985 C CB . PRO B 208 ? 0.1083 0.0939 0.0859 -0.0138 0.0143 0.0007 528 PRO H CB 3986 C CG . PRO B 208 ? 0.1212 0.0925 0.1054 -0.0202 0.0059 0.0013 528 PRO H CG 3987 C CD . PRO B 208 ? 0.1090 0.0923 0.1082 -0.0312 -0.0068 0.0038 528 PRO H CD 3995 N N . PHE B 209 ? 0.0679 0.0785 0.0646 -0.0080 -0.0063 -0.0005 529 PHE H N 3996 C CA . PHE B 209 ? 0.0614 0.0648 0.0682 0.0026 -0.0042 0.0036 529 PHE H CA 3997 C C . PHE B 209 ? 0.0523 0.0818 0.0646 0.0001 -0.0006 -0.0002 529 PHE H C 3998 O O . PHE B 209 ? 0.0588 0.0801 0.0739 -0.0066 -0.0006 0.0078 529 PHE H O 3999 C CB . PHE B 209 ? 0.0772 0.0741 0.0731 -0.0030 0.0035 0.0008 529 PHE H CB 4000 C CG . PHE B 209 ? 0.1016 0.0687 0.0804 -0.0083 0.0114 -0.0105 529 PHE H CG 4001 C CD1 . PHE B 209 ? 0.1130 0.0883 0.0741 -0.0118 0.0002 -0.0189 529 PHE H CD1 4002 C CD2 . PHE B 209 ? 0.1314 0.0930 0.1155 0.0203 0.0298 -0.0063 529 PHE H CD2 4003 C CE1 . PHE B 209 ? 0.1513 0.0909 0.0996 -0.0423 0.0015 -0.0075 529 PHE H CE1 4004 C CE2 . PHE B 209 ? 0.1325 0.1104 0.1353 0.0002 0.0314 -0.0106 529 PHE H CE2 4005 C CZ . PHE B 209 ? 0.1699 0.1072 0.1414 -0.0257 0.0383 -0.0313 529 PHE H CZ 4015 N N . VAL B 210 ? 0.0641 0.0741 0.0512 -0.0059 0.0085 -0.0004 530 VAL H N 4016 C CA . VAL B 210 ? 0.0732 0.0713 0.0656 -0.0085 0.0021 0.0008 530 VAL H CA 4017 C C . VAL B 210 ? 0.0604 0.0794 0.0950 -0.0063 0.0091 0.0024 530 VAL H C 4018 O O . VAL B 210 ? 0.0761 0.1003 0.0706 0.0015 -0.0021 0.0095 530 VAL H O 4019 C CB . VAL B 210 ? 0.0816 0.0774 0.0790 -0.0107 -0.0069 0.0069 530 VAL H CB 4020 C CG1 . VAL B 210 ? 0.0831 0.0827 0.0962 -0.0007 -0.0008 -0.0150 530 VAL H CG1 4021 C CG2 . VAL B 210 ? 0.0865 0.0885 0.0960 -0.0281 -0.0094 0.0077 530 VAL H CG2 4031 N N . MET B 211 ? 0.0661 0.0654 0.0801 0.0021 0.0003 0.0010 531 MET H N 4032 C CA . MET B 211 ? 0.0768 0.0922 0.0602 -0.0042 0.0136 0.0050 531 MET H CA 4033 C C . MET B 211 ? 0.0643 0.1082 0.0827 0.0031 0.0016 0.0053 531 MET H C 4034 O O . MET B 211 ? 0.0945 0.0841 0.0935 -0.0001 0.0215 0.0073 531 MET H O 4035 C CB . MET B 211 ? 0.0876 0.0917 0.0689 -0.0072 0.0016 -0.0096 531 MET H CB 4036 C CG . MET B 211 ? 0.1170 0.0877 0.0865 0.0043 -0.0014 0.0061 531 MET H CG 4037 S SD . MET B 211 ? 0.1009 0.1053 0.0976 -0.0102 -0.0070 -0.0230 531 MET H SD 4038 C CE . MET B 211 ? 0.0895 0.1607 0.1143 0.0013 -0.0155 -0.0489 531 MET H CE 4048 N N . LYS B 212 ? 0.0863 0.0961 0.0732 0.0012 0.0081 0.0140 532 LYS H N 4049 C CA . LYS B 212 ? 0.1049 0.0773 0.0870 -0.0029 0.0004 0.0234 532 LYS H CA 4050 C C . LYS B 212 ? 0.0906 0.0919 0.0801 -0.0002 0.0032 0.0256 532 LYS H C 4051 O O . LYS B 212 ? 0.1246 0.1023 0.0866 0.0096 0.0223 0.0043 532 LYS H O 4052 C CB . LYS B 212 ? 0.0931 0.1175 0.0996 -0.0113 0.0115 0.0302 532 LYS H CB 4053 C CG . LYS B 212 ? 0.1143 0.1182 0.1132 -0.0206 0.0106 0.0220 532 LYS H CG 4054 C CD . LYS B 212 ? 0.1348 0.1535 0.1227 -0.0503 -0.0051 0.0413 532 LYS H CD 4055 C CE . LYS B 212 ? 0.1309 0.1690 0.1533 -0.0580 0.0028 0.0548 532 LYS H CE 4056 N NZ . LYS B 212 ? 0.2058 0.1253 0.1633 -0.0469 0.0175 0.0261 532 LYS H NZ 4070 N N . SER B 213 ? 0.0954 0.0895 0.0736 -0.0051 0.0059 0.0066 533 SER H N 4071 C CA . SER B 213 ? 0.0972 0.1119 0.0745 0.0027 -0.0031 0.0138 533 SER H CA 4072 C C . SER B 213 ? 0.1193 0.1035 0.0835 -0.0130 0.0062 0.0179 533 SER H C 4073 O O . SER B 213 ? 0.1509 0.1096 0.0955 -0.0264 0.0041 0.0266 533 SER H O 4074 C CB . SER B 213 ? 0.1044 0.1282 0.0871 0.0183 0.0074 0.0175 533 SER H CB 4075 O OG . SER B 213 ? 0.1362 0.1638 0.0814 0.0241 -0.0084 0.0140 533 SER H OG 4081 N N . PRO B 214 ? 0.1263 0.1040 0.0796 0.0140 0.0103 0.0316 534 PRO H N 4082 C CA . PRO B 214 ? 0.1664 0.1400 0.0911 0.0163 0.0254 0.0426 534 PRO H CA 4083 C C . PRO B 214 ? 0.1720 0.1570 0.0811 -0.0079 0.0128 0.0322 534 PRO H C 4084 O O . PRO B 214 ? 0.1789 0.2154 0.1223 -0.0188 0.0061 0.0871 534 PRO H O 4085 C CB . PRO B 214 ? 0.2081 0.1691 0.1031 0.0130 0.0307 0.0084 534 PRO H CB 4086 C CG . PRO B 214 ? 0.2204 0.1435 0.1039 0.0136 0.0121 0.0014 534 PRO H CG 4087 C CD . PRO B 214 ? 0.1708 0.0925 0.0952 0.0135 0.0071 0.0027 534 PRO H CD 4095 N N . PHE B 215 ? 0.1486 0.1190 0.0977 0.0069 -0.0026 0.0398 535 PHE H N 4096 C CA . PHE B 215 ? 0.1699 0.1230 0.1212 0.0021 -0.0136 0.0254 535 PHE H CA 4097 C C . PHE B 215 ? 0.1479 0.1465 0.1050 0.0103 -0.0118 0.0423 535 PHE H C 4098 O O . PHE B 215 ? 0.2015 0.1449 0.1170 0.0054 -0.0253 0.0496 535 PHE H O 4099 C CB . PHE B 215 ? 0.1587 0.1399 0.1313 0.0078 -0.0343 0.0294 535 PHE H CB 4100 C CG . PHE B 215 ? 0.1655 0.1463 0.1102 0.0005 -0.0142 0.0303 535 PHE H CG 4101 C CD1 . PHE B 215 ? 0.2388 0.1563 0.1352 -0.0161 -0.0094 0.0403 535 PHE H CD1 4102 C CD2 . PHE B 215 ? 0.1989 0.1554 0.1209 -0.0069 -0.0124 0.0383 535 PHE H CD2 4103 C CE1 . PHE B 215 ? 0.2890 0.1525 0.1402 -0.0317 -0.0343 0.0371 535 PHE H CE1 4104 C CE2 . PHE B 215 ? 0.2341 0.1613 0.1539 -0.0168 -0.0400 0.0182 535 PHE H CE2 4105 C CZ . PHE B 215 ? 0.2729 0.1585 0.1671 -0.0146 -0.0322 0.0062 535 PHE H CZ 4115 N N . ASN B 216 ? 0.1679 0.1226 0.0888 0.0184 -0.0069 0.0383 536 ASN H N 4116 C CA . ASN B 216 ? 0.1760 0.1108 0.1016 0.0079 0.0126 0.0333 536 ASN H CA 4117 C C . ASN B 216 ? 0.1601 0.1024 0.1096 -0.0184 0.0237 0.0388 536 ASN H C 4118 O O . ASN B 216 ? 0.1917 0.0911 0.1274 -0.0021 0.0065 0.0306 536 ASN H O 4119 C CB . ASN B 216 ? 0.1773 0.1263 0.1213 0.0129 0.0279 0.0530 536 ASN H CB 4120 C CG . ASN B 216 ? 0.1781 0.1252 0.1099 0.0417 0.0071 0.0320 536 ASN H CG 4121 O OD1 . ASN B 216 ? 0.1514 0.1174 0.1017 0.0088 0.0157 0.0251 536 ASN H OD1 4122 N ND2 . ASN B 216 ? 0.1999 0.1495 0.1570 0.0631 0.0377 0.0647 536 ASN H ND2 4129 N N . ASN B 217 ? 0.1458 0.1077 0.1063 0.0019 0.0118 0.0208 537 ASN H N 4130 C CA . ASN B 217 ? 0.1496 0.1127 0.1263 -0.0070 0.0189 0.0200 537 ASN H CA 4131 C C . ASN B 217 ? 0.1287 0.1447 0.1210 -0.0057 0.0207 -0.0024 537 ASN H C 4132 O O . ASN B 217 ? 0.1327 0.2537 0.1172 -0.0189 0.0206 -0.0023 537 ASN H O 4133 C CB . ASN B 217 ? 0.1530 0.1617 0.1476 -0.0167 0.0156 0.0192 537 ASN H CB 4134 C CG . ASN B 217 ? 0.1670 0.1857 0.1466 -0.0310 0.0099 0.0425 537 ASN H CG 4135 O OD1 . ASN B 217 ? 0.1794 0.2154 0.1255 0.0043 0.0174 0.0195 537 ASN H OD1 4136 N ND2 . ASN B 217 ? 0.2446 0.2251 0.1749 -0.0803 0.0115 0.0636 537 ASN H ND2 4143 N N . ARG B 218 ? 0.1515 0.0965 0.0996 -0.0073 0.0128 0.0079 538 ARG H N 4144 C CA . ARG B 218 ? 0.1391 0.0825 0.0950 -0.0104 0.0111 0.0148 538 ARG H CA 4145 C C . ARG B 218 ? 0.1084 0.0888 0.0879 -0.0141 -0.0026 0.0035 538 ARG H C 4146 O O . ARG B 218 ? 0.1098 0.0933 0.0863 -0.0067 0.0086 0.0104 538 ARG H O 4147 C CB . ARG B 218 ? 0.1822 0.0999 0.1222 0.0303 0.0217 0.0210 538 ARG H CB 4148 C CG . ARG B 218 ? 0.2232 0.1238 0.1412 0.0458 0.0379 0.0365 538 ARG H CG 4149 C CD . ARG B 218 ? 0.2712 0.1548 0.1834 0.0862 0.0349 0.0317 538 ARG H CD 4150 N NE . ARG B 218 ? 0.3812 0.1928 0.1912 0.0992 0.0616 0.0313 538 ARG H NE 4151 C CZ . ARG B 218 ? 0.4394 0.1946 0.1909 0.1178 0.0489 0.0534 538 ARG H CZ 4152 N NH1 . ARG B 218 ? 0.4381 0.1979 0.2261 0.1081 0.0026 0.0654 538 ARG H NH1 4153 N NH2 . ARG B 218 ? 0.5109 0.2117 0.1857 0.1193 0.0166 0.0247 538 ARG H NH2 4167 N N . TRP B 219 ? 0.1113 0.0840 0.0697 -0.0131 0.0032 0.0031 539 TRP H N 4168 C CA . TRP B 219 ? 0.0933 0.0782 0.0707 -0.0030 0.0038 0.0173 539 TRP H CA 4169 C C . TRP B 219 ? 0.0738 0.0599 0.0802 0.0030 0.0024 -0.0056 539 TRP H C 4170 O O . TRP B 219 ? 0.0942 0.0761 0.0918 0.0005 0.0122 -0.0056 539 TRP H O 4171 C CB . TRP B 219 ? 0.1097 0.0789 0.0857 -0.0151 -0.0032 0.0217 539 TRP H CB 4172 C CG . TRP B 219 ? 0.0756 0.1013 0.0947 -0.0323 0.0048 0.0152 539 TRP H CG 4173 C CD1 . TRP B 219 ? 0.0983 0.1145 0.1016 -0.0258 0.0046 0.0028 539 TRP H CD1 4174 C CD2 . TRP B 219 ? 0.0789 0.1221 0.0959 -0.0203 0.0023 0.0171 539 TRP H CD2 4175 N NE1 . TRP B 219 ? 0.0965 0.1095 0.1153 -0.0385 0.0158 0.0124 539 TRP H NE1 4176 C CE2 . TRP B 219 ? 0.1048 0.1112 0.0998 -0.0178 0.0037 0.0155 539 TRP H CE2 4177 C CE3 . TRP B 219 ? 0.0866 0.1130 0.0931 -0.0084 0.0018 0.0341 539 TRP H CE3 4178 C CZ2 . TRP B 219 ? 0.0995 0.1438 0.1083 -0.0173 0.0045 0.0079 539 TRP H CZ2 4179 C CZ3 . TRP B 219 ? 0.0940 0.1155 0.1038 -0.0024 0.0033 0.0232 539 TRP H CZ3 4180 C CH2 . TRP B 219 ? 0.1132 0.1194 0.1153 -0.0054 0.0047 0.0202 539 TRP H CH2 4191 N N . TYR B 220 ? 0.0860 0.0557 0.0830 -0.0068 0.0010 0.0026 540 TYR H N 4192 C CA . TYR B 220 ? 0.0760 0.0767 0.0826 -0.0086 0.0039 0.0031 540 TYR H CA 4193 C C . TYR B 220 ? 0.0647 0.0668 0.0811 0.0027 0.0113 -0.0154 540 TYR H C 4194 O O . TYR B 220 ? 0.0884 0.0792 0.0813 0.0078 0.0215 0.0085 540 TYR H O 4195 C CB . TYR B 220 ? 0.0791 0.0982 0.0878 -0.0066 -0.0051 0.0006 540 TYR H CB 4196 C CG . TYR B 220 ? 0.0958 0.0793 0.0686 0.0003 -0.0083 -0.0036 540 TYR H CG 4197 C CD1 . TYR B 220 ? 0.0779 0.1239 0.0940 0.0031 0.0004 -0.0060 540 TYR H CD1 4198 C CD2 . TYR B 220 ? 0.1067 0.1022 0.0962 0.0027 0.0079 0.0037 540 TYR H CD2 4199 C CE1 . TYR B 220 ? 0.0834 0.1171 0.1192 0.0214 -0.0162 0.0293 540 TYR H CE1 4200 C CE2 . TYR B 220 ? 0.1162 0.1240 0.1035 0.0266 0.0072 0.0442 540 TYR H CE2 4201 C CZ . TYR B 220 ? 0.1141 0.1213 0.1166 0.0030 0.0065 0.0268 540 TYR H CZ 4202 O OH . TYR B 220 ? 0.1610 0.1493 0.1486 0.0275 0.0078 0.0762 540 TYR H OH 4212 N N . GLN B 221 ? 0.0723 0.0767 0.0756 0.0054 0.0200 0.0052 541 GLN H N 4213 C CA . GLN B 221 ? 0.0701 0.0805 0.0721 -0.0048 0.0047 0.0154 541 GLN H CA 4214 C C . GLN B 221 ? 0.0642 0.0816 0.0785 0.0112 0.0164 0.0110 541 GLN H C 4215 O O . GLN B 221 ? 0.0782 0.0849 0.0849 0.0055 0.0070 -0.0132 541 GLN H O 4216 C CB . GLN B 221 ? 0.0950 0.0664 0.0825 -0.0049 0.0129 0.0083 541 GLN H CB 4217 C CG . GLN B 221 ? 0.1034 0.0802 0.0658 -0.0107 0.0052 -0.0156 541 GLN H CG 4218 C CD . GLN B 221 ? 0.0796 0.0754 0.0789 -0.0133 0.0055 -0.0198 541 GLN H CD 4219 O OE1 . GLN B 221 ? 0.1507 0.0803 0.0762 -0.0103 0.0104 -0.0147 541 GLN H OE1 4220 N NE2 . GLN B 221 ? 0.1080 0.0717 0.0852 -0.0123 0.0133 -0.0067 541 GLN H NE2 4229 N N . MET B 222 ? 0.0625 0.0724 0.0831 0.0027 0.0048 -0.0119 542 MET H N 4230 C CA . MET B 222 ? 0.0701 0.0743 0.0625 0.0027 -0.0017 0.0086 542 MET H CA 4231 C C . MET B 222 ? 0.0522 0.0745 0.0665 -0.0092 0.0084 -0.0143 542 MET H C 4232 O O . MET B 222 ? 0.0661 0.0899 0.0756 -0.0116 -0.0163 -0.0025 542 MET H O 4233 C CB . MET B 222 ? 0.0912 0.0807 0.0634 0.0080 -0.0031 -0.0020 542 MET H CB 4234 C CG . MET B 222 ? 0.1422 0.1375 0.0856 0.0297 0.0087 0.0017 542 MET H CG 4235 S SD . MET B 222 ? 0.2360 0.1089 0.0912 0.0058 0.0175 0.0023 542 MET H SD 4236 C CE . MET B 222 ? 0.1956 0.0793 0.1606 0.0288 0.0348 0.0305 542 MET H CE 4246 N N . GLY B 223 ? 0.0740 0.0644 0.0652 -0.0091 -0.0101 -0.0014 543 GLY H N 4247 C CA . GLY B 223 ? 0.0638 0.0790 0.0686 -0.0034 0.0033 0.0082 543 GLY H CA 4248 C C . GLY B 223 ? 0.0683 0.0661 0.0656 -0.0098 0.0022 -0.0055 543 GLY H C 4249 O O . GLY B 223 ? 0.0713 0.0726 0.0684 -0.0146 0.0043 -0.0088 543 GLY H O 4253 N N . ILE B 224 ? 0.0667 0.0711 0.0604 -0.0150 -0.0038 -0.0051 544 ILE H N 4254 C CA . ILE B 224 ? 0.0658 0.0999 0.0615 -0.0132 0.0070 -0.0078 544 ILE H CA 4255 C C . ILE B 224 ? 0.0562 0.1033 0.0627 -0.0183 -0.0176 -0.0048 544 ILE H C 4256 O O . ILE B 224 ? 0.0697 0.0871 0.0731 -0.0150 -0.0090 -0.0065 544 ILE H O 4257 C CB . ILE B 224 ? 0.0692 0.0934 0.0594 -0.0083 0.0051 -0.0033 544 ILE H CB 4258 C CG1 . ILE B 224 ? 0.0765 0.0933 0.0868 0.0014 0.0242 -0.0058 544 ILE H CG1 4259 C CG2 . ILE B 224 ? 0.0995 0.1094 0.0735 -0.0147 0.0098 -0.0133 544 ILE H CG2 4260 C CD1 . ILE B 224 ? 0.1090 0.1069 0.0833 0.0003 0.0075 -0.0065 544 ILE H CD1 4272 N N . VAL B 225 ? 0.0818 0.0703 0.0678 -0.0157 0.0043 0.0012 545 VAL H N 4273 C CA . VAL B 225 ? 0.0756 0.0753 0.0617 -0.0019 0.0039 0.0102 545 VAL H CA 4274 C C . VAL B 225 ? 0.0704 0.0790 0.0605 0.0002 -0.0023 -0.0074 545 VAL H C 4275 O O . VAL B 225 ? 0.0790 0.0896 0.0763 -0.0115 0.0039 -0.0094 545 VAL H O 4276 C CB . VAL B 225 ? 0.0717 0.1101 0.0850 -0.0073 -0.0193 -0.0144 545 VAL H CB 4277 C CG1 . VAL B 225 ? 0.0833 0.0887 0.1092 0.0014 -0.0218 -0.0112 545 VAL H CG1 4278 C CG2 . VAL B 225 ? 0.0659 0.1195 0.0897 -0.0210 0.0053 -0.0089 545 VAL H CG2 4288 N N . SER B 226 ? 0.0689 0.0839 0.0710 -0.0071 -0.0011 -0.0097 546 SER H N 4289 C CA . SER B 226 ? 0.0688 0.0958 0.0744 -0.0157 -0.0030 0.0079 546 SER H CA 4290 C C . SER B 226 ? 0.0892 0.0771 0.0925 0.0038 -0.0028 -0.0018 546 SER H C 4291 O O . SER B 226 ? 0.1229 0.1067 0.0789 -0.0013 0.0022 0.0139 546 SER H O 4292 C CB . SER B 226 ? 0.0760 0.0892 0.0841 -0.0228 0.0264 0.0013 546 SER H CB 4293 O OG . SER B 226 ? 0.0869 0.0865 0.0887 -0.0183 0.0007 0.0040 546 SER H OG 4299 N N . TRP B 227 ? 0.0990 0.0831 0.0872 -0.0002 0.0002 0.0240 547 TRP H N 4300 C CA . TRP B 227 ? 0.1083 0.0940 0.0798 0.0052 0.0064 0.0143 547 TRP H CA 4301 C C . TRP B 227 ? 0.1135 0.0769 0.0848 -0.0099 -0.0020 0.0203 547 TRP H C 4302 O O . TRP B 227 ? 0.1056 0.0849 0.0986 0.0036 -0.0004 0.0233 547 TRP H O 4303 C CB . TRP B 227 ? 0.1058 0.0987 0.0997 -0.0157 0.0099 0.0311 547 TRP H CB 4304 C CG . TRP B 227 ? 0.0904 0.0794 0.1110 -0.0102 0.0103 0.0102 547 TRP H CG 4305 C CD1 . TRP B 227 ? 0.1087 0.0838 0.1232 -0.0267 0.0060 -0.0045 547 TRP H CD1 4306 C CD2 . TRP B 227 ? 0.1162 0.0820 0.1355 -0.0133 0.0192 -0.0008 547 TRP H CD2 4307 N NE1 . TRP B 227 ? 0.1072 0.0946 0.1312 -0.0357 -0.0016 0.0022 547 TRP H NE1 4308 C CE2 . TRP B 227 ? 0.1524 0.0830 0.1250 -0.0286 0.0252 -0.0149 547 TRP H CE2 4309 C CE3 . TRP B 227 ? 0.1390 0.0949 0.1639 -0.0157 0.0466 -0.0027 547 TRP H CE3 4310 C CZ2 . TRP B 227 ? 0.2012 0.1018 0.1590 -0.0628 0.0334 -0.0260 547 TRP H CZ2 4311 C CZ3 . TRP B 227 ? 0.1803 0.1082 0.1835 -0.0082 0.0569 0.0035 547 TRP H CZ3 4312 C CH2 . TRP B 227 ? 0.2163 0.1058 0.1849 -0.0591 0.0795 -0.0289 547 TRP H CH2 4323 N N . GLY B 228 ? 0.1198 0.0932 0.1086 0.0168 0.0091 0.0317 548 GLY H N 4324 C CA . GLY B 228 ? 0.1329 0.0970 0.1234 0.0261 0.0123 0.0218 548 GLY H CA 4325 C C . GLY B 228 ? 0.1466 0.1086 0.1280 0.0295 0.0315 0.0299 548 GLY H C 4326 O O . GLY B 228 ? 0.2748 0.1534 0.1604 0.0896 0.0691 0.0585 548 GLY H O 4330 N N . GLU B 229 ? 0.1410 0.0963 0.1404 0.0215 0.0177 0.0375 549 GLU H N 4331 C CA . GLU B 229 ? 0.1511 0.0897 0.1615 0.0348 0.0104 0.0322 549 GLU H CA 4332 C C . GLU B 229 ? 0.1503 0.1155 0.1599 0.0425 0.0237 0.0324 549 GLU H C 4333 O O . GLU B 229 ? 0.1704 0.1472 0.1501 0.0443 0.0270 0.0343 549 GLU H O 4334 C CB . GLU B 229 ? 0.1673 0.1141 0.1775 0.0155 -0.0004 0.0143 549 GLU H CB 4335 C CG . GLU B 229 ? 0.2031 0.1470 0.2009 -0.0052 -0.0125 0.0264 549 GLU H CG 4336 C CD . GLU B 229 ? 0.2429 0.1852 0.2175 -0.0557 -0.0135 0.0549 549 GLU H CD 4337 O OE1 . GLU B 229 ? 0.1950 0.1975 0.1972 -0.0233 -0.0160 0.0334 549 GLU H OE1 4338 O OE2 . GLU B 229 ? 0.3681 0.2501 0.2528 -0.1083 -0.0171 0.0536 549 GLU H OE2 4345 N N . GLY B 230 ? 0.1471 0.1324 0.1570 0.0147 0.0265 0.0451 550 GLY H N 4346 C CA . GLY B 230 ? 0.1465 0.1058 0.1676 0.0189 0.0026 0.0526 550 GLY H CA 4347 C C . GLY B 230 ? 0.1445 0.1146 0.1530 0.0428 -0.0076 0.0369 550 GLY H C 4348 O O . GLY B 230 ? 0.1506 0.1173 0.1688 0.0256 0.0291 0.0536 550 GLY H O 4352 N N . CYS B 231 ? 0.1209 0.1449 0.1230 0.0258 0.0074 0.0269 551 CYS H N 4353 C CA . CYS B 231 ? 0.1427 0.1285 0.1064 0.0237 0.0270 0.0193 551 CYS H CA 4354 C C . CYS B 231 ? 0.1306 0.1253 0.1275 0.0240 0.0009 0.0263 551 CYS H C 4355 O O . CYS B 231 ? 0.1333 0.1486 0.1441 0.0389 -0.0044 0.0436 551 CYS H O 4356 C CB . CYS B 231 ? 0.1854 0.1269 0.1510 0.0243 0.0378 0.0092 551 CYS H CB 4357 S SG . CYS B 231 ? 0.1861 0.1664 0.1472 0.0295 0.0108 0.0206 551 CYS H SG 4362 N N . ASP B 232 ? 0.0925 0.1315 0.1069 0.0200 0.0053 0.0381 552 ASP H N 4363 C CA . ASP B 232 ? 0.0845 0.1333 0.1264 0.0199 -0.0078 0.0399 552 ASP H CA 4364 C C . ASP B 232 ? 0.1175 0.1277 0.1286 0.0292 0.0117 0.0292 552 ASP H C 4365 O O . ASP B 232 ? 0.1242 0.1396 0.1663 0.0414 0.0261 0.0214 552 ASP H O 4366 C CB . ASP B 232 ? 0.0970 0.1464 0.1378 0.0111 0.0080 0.0196 552 ASP H CB 4367 C CG . ASP B 232 ? 0.1032 0.1631 0.1565 0.0137 -0.0058 -0.0004 552 ASP H CG 4368 O OD1 . ASP B 232 ? 0.1370 0.1473 0.1462 0.0129 0.0076 0.0316 552 ASP H OD1 4369 O OD2 . ASP B 232 ? 0.1103 0.1972 0.1666 0.0034 0.0228 0.0024 552 ASP H OD2 4374 N N . ARG B 233 ? 0.1048 0.1280 0.1408 0.0299 0.0070 0.0289 553 ARG H N 4375 C CA . ARG B 233 ? 0.1333 0.1291 0.1410 0.0327 0.0085 0.0213 553 ARG H CA 4376 C C . ARG B 233 ? 0.1151 0.1440 0.1505 0.0303 0.0291 0.0140 553 ARG H C 4377 O O . ARG B 233 ? 0.1277 0.1482 0.1508 0.0268 0.0133 0.0083 553 ARG H O 4378 C CB . ARG B 233 ? 0.1377 0.1226 0.1473 0.0210 0.0147 0.0145 553 ARG H CB 4379 C CG . ARG B 233 ? 0.2027 0.1328 0.1712 0.0146 0.0169 0.0534 553 ARG H CG 4380 C CD . ARG B 233 ? 0.2136 0.1552 0.1731 0.0053 0.0176 0.0386 553 ARG H CD 4381 N NE . ARG B 233 ? 0.2728 0.1557 0.1826 0.0196 0.0248 0.0567 553 ARG H NE 4382 C CZ . ARG B 233 ? 0.2916 0.2013 0.2239 -0.0120 -0.0092 0.0587 553 ARG H CZ 4383 N NH1 . ARG B 233 ? 0.3344 0.2550 0.2428 -0.0064 -0.0193 0.0644 553 ARG H NH1 4384 N NH2 . ARG B 233 ? 0.3254 0.2745 0.2460 -0.0581 0.0173 0.0597 553 ARG H NH2 4398 N N . ASP B 234 ? 0.1419 0.1521 0.1549 0.0472 0.0261 0.0071 554 ASP H N 4399 C CA . ASP B 234 ? 0.1397 0.1807 0.1630 0.0427 0.0323 -0.0214 554 ASP H CA 4400 C C . ASP B 234 ? 0.1428 0.1466 0.1816 0.0382 0.0218 -0.0135 554 ASP H C 4401 O O . ASP B 234 ? 0.1609 0.1559 0.2159 0.0411 0.0322 0.0117 554 ASP H O 4402 C CB . ASP B 234 ? 0.1534 0.2015 0.2330 0.0516 0.0072 -0.0206 554 ASP H CB 4403 C CG . ASP B 234 ? 0.1661 0.2265 0.3178 0.0575 0.0577 -0.0313 554 ASP H CG 4404 O OD1 . ASP B 234 ? 0.1536 0.2327 0.3122 0.0358 0.0403 -0.0318 554 ASP H OD1 4405 O OD2 . ASP B 234 ? 0.2066 0.3047 0.3663 0.0842 0.0084 -0.0032 554 ASP H OD2 4410 N N . GLY B 235 ? 0.1406 0.1669 0.1716 0.0373 0.0327 -0.0117 555 GLY H N 4411 C CA . GLY B 235 ? 0.1602 0.1224 0.1992 0.0401 0.0016 -0.0152 555 GLY H CA 4412 C C . GLY B 235 ? 0.1682 0.1024 0.1724 0.0291 -0.0110 0.0106 555 GLY H C 4413 O O . GLY B 235 ? 0.1627 0.1234 0.2166 0.0117 -0.0320 -0.0359 555 GLY H O 4417 N N . LYS B 236 ? 0.1156 0.0957 0.1506 0.0263 0.0032 -0.0009 556 LYS H N 4418 C CA . LYS B 236 ? 0.1340 0.0784 0.1350 0.0243 0.0169 0.0093 556 LYS H CA 4419 C C . LYS B 236 ? 0.0812 0.1171 0.1325 -0.0202 0.0072 0.0291 556 LYS H C 4420 O O . LYS B 236 ? 0.0958 0.1076 0.2046 0.0176 0.0010 0.0387 556 LYS H O 4421 C CB . LYS B 236 ? 0.1517 0.0956 0.1562 0.0104 0.0085 0.0248 556 LYS H CB 4422 C CG . LYS B 236 ? 0.1800 0.1525 0.2036 -0.0288 -0.0101 0.0767 556 LYS H CG 4423 C CD . LYS B 236 ? 0.2383 0.2185 0.2356 -0.0987 -0.0278 0.1005 556 LYS H CD 4424 C CE . LYS B 236 ? 0.1912 0.3455 0.2632 -0.0329 -0.0177 0.0112 556 LYS H CE 4425 N NZ . LYS B 236 ? 0.1451 0.4005 0.2226 -0.0517 0.0098 0.0296 556 LYS H NZ 4439 N N . TYR B 237 ? 0.0896 0.0943 0.1273 0.0094 0.0159 0.0157 557 TYR H N 4440 C CA . TYR B 237 ? 0.1056 0.0804 0.1253 0.0076 0.0150 0.0126 557 TYR H CA 4441 C C . TYR B 237 ? 0.0982 0.0848 0.1238 0.0168 0.0132 0.0023 557 TYR H C 4442 O O . TYR B 237 ? 0.1368 0.1014 0.1491 0.0046 0.0410 0.0019 557 TYR H O 4443 C CB . TYR B 237 ? 0.0944 0.1023 0.1274 0.0124 0.0056 0.0239 557 TYR H CB 4444 C CG . TYR B 237 ? 0.0885 0.0960 0.1124 0.0068 0.0241 -0.0110 557 TYR H CG 4445 C CD1 . TYR B 237 ? 0.1069 0.0877 0.1203 0.0230 0.0025 -0.0137 557 TYR H CD1 4446 C CD2 . TYR B 237 ? 0.1395 0.0968 0.1301 -0.0059 0.0033 -0.0164 557 TYR H CD2 4447 C CE1 . TYR B 237 ? 0.0962 0.1039 0.1539 0.0159 0.0057 -0.0130 557 TYR H CE1 4448 C CE2 . TYR B 237 ? 0.1320 0.0996 0.1251 0.0093 0.0235 -0.0157 557 TYR H CE2 4449 C CZ . TYR B 237 ? 0.1201 0.1084 0.1349 0.0174 0.0229 -0.0266 557 TYR H CZ 4450 O OH . TYR B 237 ? 0.1424 0.1654 0.1802 0.0190 0.0408 -0.0515 557 TYR H OH 4460 N N . GLY B 238 ? 0.0913 0.0886 0.1234 0.0043 0.0077 0.0039 558 GLY H N 4461 C CA . GLY B 238 ? 0.0879 0.0802 0.1164 0.0216 0.0082 0.0007 558 GLY H CA 4462 C C . GLY B 238 ? 0.0884 0.0646 0.0875 0.0043 -0.0066 -0.0054 558 GLY H C 4463 O O . GLY B 238 ? 0.0834 0.0995 0.0927 0.0029 0.0081 0.0062 558 GLY H O 4467 N N . PHE B 239 ? 0.0714 0.0771 0.0890 0.0090 0.0138 -0.0050 559 PHE H N 4468 C CA . PHE B 239 ? 0.0861 0.0689 0.0868 0.0026 0.0063 0.0071 559 PHE H CA 4469 C C . PHE B 239 ? 0.0780 0.0800 0.0777 -0.0100 0.0055 -0.0040 559 PHE H C 4470 O O . PHE B 239 ? 0.0898 0.0899 0.0755 0.0003 -0.0030 0.0027 559 PHE H O 4471 C CB . PHE B 239 ? 0.0910 0.0766 0.0799 -0.0075 0.0010 0.0030 559 PHE H CB 4472 C CG . PHE B 239 ? 0.0805 0.0708 0.1118 -0.0130 0.0103 -0.0161 559 PHE H CG 4473 C CD1 . PHE B 239 ? 0.1045 0.0775 0.1398 -0.0152 0.0145 -0.0067 559 PHE H CD1 4474 C CD2 . PHE B 239 ? 0.0839 0.0887 0.1379 -0.0231 -0.0011 -0.0087 559 PHE H CD2 4475 C CE1 . PHE B 239 ? 0.1201 0.0808 0.1344 -0.0058 0.0118 -0.0129 559 PHE H CE1 4476 C CE2 . PHE B 239 ? 0.1360 0.0898 0.1236 -0.0354 -0.0208 -0.0057 559 PHE H CE2 4477 C CZ . PHE B 239 ? 0.1242 0.1051 0.1225 -0.0134 0.0032 -0.0100 559 PHE H CZ 4487 N N . TYR B 240 ? 0.0660 0.0784 0.0872 -0.0031 -0.0091 0.0024 560 TYR H N 4488 C CA . TYR B 240 ? 0.0673 0.0652 0.0783 -0.0010 0.0048 -0.0048 560 TYR H CA 4489 C C . TYR B 240 ? 0.0659 0.0569 0.0782 -0.0069 -0.0011 -0.0097 560 TYR H C 4490 O O . TYR B 240 ? 0.0747 0.0933 0.0875 -0.0150 -0.0028 -0.0130 560 TYR H O 4491 C CB . TYR B 240 ? 0.0876 0.0876 0.0642 -0.0128 0.0032 -0.0012 560 TYR H CB 4492 C CG . TYR B 240 ? 0.0921 0.0734 0.0653 -0.0073 0.0099 -0.0135 560 TYR H CG 4493 C CD1 . TYR B 240 ? 0.0863 0.0750 0.0692 -0.0233 -0.0028 -0.0012 560 TYR H CD1 4494 C CD2 . TYR B 240 ? 0.0870 0.0704 0.0661 0.0001 0.0041 -0.0061 560 TYR H CD2 4495 C CE1 . TYR B 240 ? 0.0821 0.0899 0.0878 -0.0119 0.0051 0.0064 560 TYR H CE1 4496 C CE2 . TYR B 240 ? 0.0791 0.0950 0.0663 -0.0127 0.0003 -0.0016 560 TYR H CE2 4497 C CZ . TYR B 240 ? 0.0658 0.1019 0.0859 -0.0168 -0.0167 -0.0009 560 TYR H CZ 4498 O OH . TYR B 240 ? 0.0713 0.1383 0.1092 -0.0058 -0.0009 0.0061 560 TYR H OH 4508 N N . THR B 241 ? 0.0604 0.0699 0.0777 0.0024 0.0040 0.0002 561 THR H N 4509 C CA . THR B 241 ? 0.0626 0.0777 0.0784 0.0086 0.0034 -0.0051 561 THR H CA 4510 C C . THR B 241 ? 0.0624 0.0808 0.0808 -0.0039 0.0004 -0.0181 561 THR H C 4511 O O . THR B 241 ? 0.0768 0.0902 0.1032 -0.0212 -0.0044 0.0109 561 THR H O 4512 C CB . THR B 241 ? 0.0829 0.0825 0.0955 0.0122 0.0137 -0.0143 561 THR H CB 4513 O OG1 . THR B 241 ? 0.1036 0.0916 0.0909 0.0112 0.0129 -0.0055 561 THR H OG1 4514 C CG2 . THR B 241 ? 0.0818 0.0825 0.1114 0.0123 0.0191 -0.0201 561 THR H CG2 4522 N N . HIS B 242 ? 0.0518 0.0724 0.0887 -0.0155 -0.0037 -0.0012 562 HIS H N 4523 C CA . HIS B 242 ? 0.0856 0.0653 0.0905 -0.0084 -0.0073 -0.0037 562 HIS H CA 4524 C C . HIS B 242 ? 0.0560 0.0745 0.0995 -0.0178 0.0011 -0.0032 562 HIS H C 4525 O O . HIS B 242 ? 0.0714 0.0947 0.0987 -0.0141 -0.0053 -0.0113 562 HIS H O 4526 C CB . HIS B 242 ? 0.1043 0.0948 0.0840 -0.0111 -0.0100 -0.0037 562 HIS H CB 4527 C CG . HIS B 242 ? 0.0844 0.0677 0.1102 -0.0115 -0.0154 0.0028 562 HIS H CG 4528 N ND1 . HIS B 242 ? 0.1126 0.1093 0.1000 -0.0164 -0.0081 -0.0224 562 HIS H ND1 4529 C CD2 . HIS B 242 ? 0.1016 0.0770 0.1382 0.0057 -0.0167 -0.0320 562 HIS H CD2 4530 C CE1 . HIS B 242 ? 0.1364 0.1002 0.0930 -0.0002 -0.0270 -0.0028 562 HIS H CE1 4531 N NE2 . HIS B 242 ? 0.1123 0.1132 0.1025 -0.0087 -0.0197 0.0083 562 HIS H NE2 4540 N N . VAL B 243 ? 0.0635 0.0791 0.0965 0.0001 0.0000 -0.0212 563 VAL H N 4541 C CA . VAL B 243 ? 0.0658 0.0871 0.0872 -0.0118 -0.0155 -0.0181 563 VAL H CA 4542 C C . VAL B 243 ? 0.0646 0.0866 0.1005 0.0028 -0.0061 -0.0208 563 VAL H C 4543 O O . VAL B 243 ? 0.0873 0.0938 0.0953 0.0041 -0.0208 -0.0240 563 VAL H O 4544 C CB . VAL B 243 ? 0.0737 0.0874 0.1106 -0.0045 -0.0051 -0.0316 563 VAL H CB 4545 C CG1 . VAL B 243 ? 0.1084 0.0789 0.1278 -0.0113 -0.0172 -0.0208 563 VAL H CG1 4546 C CG2 . VAL B 243 ? 0.0792 0.1265 0.1072 -0.0119 -0.0309 -0.0311 563 VAL H CG2 4556 N N . PHE B 244 ? 0.0782 0.0829 0.0913 -0.0001 -0.0166 -0.0138 564 PHE H N 4557 C CA . PHE B 244 ? 0.0682 0.0911 0.0985 -0.0132 -0.0149 -0.0026 564 PHE H CA 4558 C C . PHE B 244 ? 0.0963 0.0739 0.1021 0.0154 -0.0240 -0.0009 564 PHE H C 4559 O O . PHE B 244 ? 0.0828 0.0929 0.1016 0.0065 -0.0166 -0.0141 564 PHE H O 4560 C CB . PHE B 244 ? 0.0928 0.1039 0.0969 -0.0068 -0.0155 -0.0059 564 PHE H CB 4561 C CG . PHE B 244 ? 0.0965 0.1132 0.0842 -0.0146 -0.0253 -0.0115 564 PHE H CG 4562 C CD1 . PHE B 244 ? 0.1184 0.0991 0.1265 -0.0045 -0.0220 0.0169 564 PHE H CD1 4563 C CD2 . PHE B 244 ? 0.1107 0.1486 0.0939 -0.0310 -0.0228 -0.0043 564 PHE H CD2 4564 C CE1 . PHE B 244 ? 0.1480 0.1523 0.1372 0.0206 -0.0327 0.0275 564 PHE H CE1 4565 C CE2 . PHE B 244 ? 0.1408 0.1612 0.0990 -0.0370 -0.0340 -0.0122 564 PHE H CE2 4566 C CZ . PHE B 244 ? 0.1406 0.1657 0.1307 -0.0304 -0.0340 0.0106 564 PHE H CZ 4576 N N . ARG B 245 ? 0.0595 0.0944 0.1197 0.0074 -0.0161 -0.0158 565 ARG H N 4577 C CA A ARG B 245 ? 0.0780 0.0977 0.1379 -0.0337 -0.0155 -0.0099 565 ARG H CA 4578 C CA B ARG B 245 ? 0.1049 0.1117 0.1236 -0.0079 -0.0043 -0.0347 565 ARG H CA 4579 C C . ARG B 245 ? 0.1007 0.1129 0.1294 0.0086 0.0121 -0.0156 565 ARG H C 4580 O O . ARG B 245 ? 0.0884 0.1686 0.1721 -0.0083 0.0155 -0.0151 565 ARG H O 4581 C CB A ARG B 245 ? 0.1060 0.1376 0.1785 -0.0663 0.0236 0.0008 565 ARG H CB 4582 C CB B ARG B 245 ? 0.1645 0.1714 0.1550 0.0043 0.0551 -0.0528 565 ARG H CB 4583 C CG A ARG B 245 ? 0.0769 0.1341 0.1850 -0.0332 0.0393 -0.0526 565 ARG H CG 4584 C CG B ARG B 245 ? 0.1861 0.2442 0.1406 -0.0050 0.0306 -0.0243 565 ARG H CG 4585 C CD A ARG B 245 ? 0.0588 0.0889 0.1375 -0.0138 -0.0290 -0.0213 565 ARG H CD 4586 C CD B ARG B 245 ? 0.1924 0.2257 0.1161 -0.0938 -0.0436 -0.0029 565 ARG H CD 4587 N NE A ARG B 245 ? 0.1154 0.0742 0.1114 -0.0003 -0.0516 -0.0225 565 ARG H NE 4588 N NE B ARG B 245 ? 0.1407 0.1672 0.1253 -0.0855 -0.0394 0.0341 565 ARG H NE 4589 C CZ A ARG B 245 ? 0.0955 0.0571 0.1042 -0.0102 -0.0162 -0.0213 565 ARG H CZ 4590 C CZ B ARG B 245 ? 0.1652 0.1232 0.1614 -0.0731 -0.0409 -0.0054 565 ARG H CZ 4591 N NH1 A ARG B 245 ? 0.1283 0.0788 0.0926 0.0122 0.0108 -0.0026 565 ARG H NH1 4592 N NH1 B ARG B 245 ? 0.2421 0.1225 0.1658 -0.0846 0.0026 0.0260 565 ARG H NH1 4593 N NH2 A ARG B 245 ? 0.1012 0.0440 0.0644 -0.0107 0.0043 -0.0122 565 ARG H NH2 4594 N NH2 B ARG B 245 ? 0.1112 0.1352 0.1323 -0.0563 -0.0541 0.0707 565 ARG H NH2 4620 N N . LEU B 246 ? 0.1066 0.1064 0.1019 0.0079 0.0086 -0.0154 566 LEU H N 4621 C CA . LEU B 246 ? 0.1050 0.1293 0.1137 0.0264 -0.0143 -0.0103 566 LEU H CA 4622 C C . LEU B 246 ? 0.0886 0.1362 0.1127 0.0229 -0.0002 -0.0344 566 LEU H C 4623 O O . LEU B 246 ? 0.0974 0.1504 0.1230 0.0248 -0.0008 -0.0337 566 LEU H O 4624 C CB . LEU B 246 ? 0.1791 0.1797 0.1499 0.0445 0.0469 -0.0146 566 LEU H CB 4625 C CG . LEU B 246 ? 0.1647 0.2073 0.2763 0.0078 0.0807 0.1070 566 LEU H CG 4626 C CD1 . LEU B 246 ? 0.1623 0.2090 0.3259 -0.0055 0.0367 0.0421 566 LEU H CD1 4627 C CD2 . LEU B 246 ? 0.2435 0.2679 0.3663 -0.0101 0.0679 0.1637 566 LEU H CD2 4639 N N . LYS B 247 ? 0.1189 0.1107 0.1090 0.0050 -0.0110 -0.0297 567 LYS H N 4640 C CA . LYS B 247 ? 0.1244 0.1080 0.1334 0.0047 -0.0104 -0.0334 567 LYS H CA 4641 C C . LYS B 247 ? 0.1318 0.1121 0.1414 0.0063 -0.0481 -0.0295 567 LYS H C 4642 O O . LYS B 247 ? 0.1627 0.1234 0.1689 0.0225 -0.0190 -0.0414 567 LYS H O 4643 C CB . LYS B 247 ? 0.1737 0.1077 0.1617 0.0213 -0.0025 -0.0463 567 LYS H CB 4644 C CG . LYS B 247 ? 0.1790 0.1422 0.2116 0.0243 0.0407 -0.0206 567 LYS H CG 4645 C CD . LYS B 247 ? 0.2138 0.1574 0.2418 0.0066 0.0318 -0.0170 567 LYS H CD 4646 C CE . LYS B 247 ? 0.2372 0.2012 0.2911 0.0306 0.0142 -0.0162 567 LYS H CE 4647 N NZ . LYS B 247 ? 0.2856 0.2315 0.2973 0.0812 0.0679 -0.0238 567 LYS H NZ 4661 N N . LYS B 248 ? 0.1281 0.1486 0.1463 0.0173 -0.0464 -0.0249 568 LYS H N 4662 C CA . LYS B 248 ? 0.1247 0.1833 0.1595 -0.0026 -0.0453 -0.0230 568 LYS H CA 4663 C C . LYS B 248 ? 0.1043 0.1604 0.1842 0.0054 -0.0269 -0.0117 568 LYS H C 4664 O O . LYS B 248 ? 0.1023 0.2217 0.2276 0.0326 -0.0140 -0.0328 568 LYS H O 4665 C CB . LYS B 248 ? 0.1515 0.2755 0.2290 -0.0205 -0.0653 -0.0464 568 LYS H CB 4666 C CG . LYS B 248 ? 0.2379 0.3416 0.3173 -0.0645 -0.0416 -0.0807 568 LYS H CG 4667 C CD . LYS B 248 ? 0.2995 0.4131 0.3758 -0.0496 -0.0467 -0.0848 568 LYS H CD 4668 C CE . LYS B 248 ? 0.3896 0.4714 0.4250 -0.0302 -0.0237 -0.0816 568 LYS H CE 4669 N NZ . LYS B 248 ? 0.4444 0.4981 0.4354 -0.0131 -0.0368 -0.0983 568 LYS H NZ 4683 N N . TRP B 249 ? 0.1314 0.1398 0.1805 -0.0010 -0.0166 -0.0089 569 TRP H N 4684 C CA . TRP B 249 ? 0.1068 0.1415 0.1721 0.0114 -0.0025 -0.0178 569 TRP H CA 4685 C C . TRP B 249 ? 0.0945 0.1448 0.1591 0.0408 0.0124 -0.0330 569 TRP H C 4686 O O . TRP B 249 ? 0.0874 0.1417 0.1889 0.0258 0.0158 -0.0324 569 TRP H O 4687 C CB . TRP B 249 ? 0.1321 0.1360 0.1805 -0.0076 -0.0058 -0.0207 569 TRP H CB 4688 C CG . TRP B 249 ? 0.0901 0.1201 0.1976 -0.0076 0.0038 -0.0222 569 TRP H CG 4689 C CD1 . TRP B 249 ? 0.1365 0.1815 0.2247 -0.0053 0.0436 -0.0071 569 TRP H CD1 4690 C CD2 . TRP B 249 ? 0.1144 0.1243 0.1886 -0.0004 0.0139 -0.0065 569 TRP H CD2 4691 N NE1 . TRP B 249 ? 0.1429 0.2043 0.2333 0.0033 0.0769 0.0111 569 TRP H NE1 4692 C CE2 . TRP B 249 ? 0.1482 0.1675 0.2118 0.0033 0.0152 -0.0114 569 TRP H CE2 4693 C CE3 . TRP B 249 ? 0.0972 0.1366 0.1978 0.0121 -0.0026 -0.0397 569 TRP H CE3 4694 C CZ2 . TRP B 249 ? 0.1878 0.1694 0.1842 0.0250 0.0037 -0.0161 569 TRP H CZ2 4695 C CZ3 . TRP B 249 ? 0.1310 0.1592 0.2242 0.0290 -0.0154 -0.0373 569 TRP H CZ3 4696 C CH2 . TRP B 249 ? 0.1910 0.1394 0.1933 0.0369 -0.0537 -0.0147 569 TRP H CH2 4707 N N . ILE B 250 ? 0.0946 0.1393 0.1459 0.0161 0.0007 -0.0299 570 ILE H N 4708 C CA . ILE B 250 ? 0.1157 0.1286 0.1328 0.0091 -0.0021 -0.0436 570 ILE H CA 4709 C C . ILE B 250 ? 0.1134 0.1336 0.1377 0.0174 -0.0079 -0.0465 570 ILE H C 4710 O O . ILE B 250 ? 0.1485 0.1282 0.1543 0.0115 0.0078 -0.0516 570 ILE H O 4711 C CB . ILE B 250 ? 0.1054 0.1148 0.1381 0.0059 0.0088 -0.0414 570 ILE H CB 4712 C CG1 . ILE B 250 ? 0.0966 0.1368 0.1365 0.0101 0.0053 -0.0156 570 ILE H CG1 4713 C CG2 . ILE B 250 ? 0.1307 0.1097 0.1535 0.0198 0.0036 -0.0245 570 ILE H CG2 4714 C CD1 . ILE B 250 ? 0.1050 0.1308 0.1414 0.0067 0.0138 -0.0093 570 ILE H CD1 4726 N N . GLN B 251 ? 0.1339 0.1214 0.1709 0.0441 -0.0143 -0.0356 571 GLN H N 4727 C CA . GLN B 251 ? 0.1748 0.1508 0.1820 0.0738 -0.0236 -0.0206 571 GLN H CA 4728 C C . GLN B 251 ? 0.1530 0.1540 0.2089 0.0680 -0.0076 -0.0142 571 GLN H C 4729 O O . GLN B 251 ? 0.2060 0.1777 0.2233 0.1062 0.0047 -0.0398 571 GLN H O 4730 C CB . GLN B 251 ? 0.2156 0.1965 0.2041 0.0905 -0.0259 0.0051 571 GLN H CB 4731 C CG . GLN B 251 ? 0.3450 0.2102 0.2708 0.0920 0.0066 0.0023 571 GLN H CG 4732 C CD . GLN B 251 ? 0.4847 0.1944 0.3649 0.1022 -0.0187 -0.0022 571 GLN H CD 4733 O OE1 . GLN B 251 ? 0.5482 0.2314 0.3953 0.0378 -0.0054 0.0153 571 GLN H OE1 4734 N NE2 . GLN B 251 ? 0.5658 0.2050 0.4047 0.1082 -0.0411 -0.0352 571 GLN H NE2 4743 N N . LYS B 252 ? 0.1385 0.1911 0.2199 0.0557 -0.0192 -0.0404 572 LYS H N 4744 C CA A LYS B 252 ? 0.1436 0.2262 0.2517 0.0513 -0.0052 -0.0546 572 LYS H CA 4745 C CA B LYS B 252 ? 0.1532 0.2231 0.2496 0.0569 -0.0049 -0.0502 572 LYS H CA 4746 C C . LYS B 252 ? 0.1227 0.2135 0.2386 0.0631 -0.0004 -0.0768 572 LYS H C 4747 O O . LYS B 252 ? 0.1375 0.2281 0.2410 0.0660 0.0007 -0.0694 572 LYS H O 4748 C CB A LYS B 252 ? 0.1303 0.2748 0.2987 0.0121 -0.0021 -0.0527 572 LYS H CB 4749 C CB B LYS B 252 ? 0.1544 0.2687 0.2953 0.0200 -0.0044 -0.0395 572 LYS H CB 4750 C CG A LYS B 252 ? 0.1901 0.3156 0.3520 -0.0073 0.0174 -0.0532 572 LYS H CG 4751 C CG B LYS B 252 ? 0.2072 0.3131 0.3493 -0.0058 0.0149 -0.0259 572 LYS H CG 4752 C CD A LYS B 252 ? 0.2858 0.3617 0.3905 -0.0221 0.0338 -0.0557 572 LYS H CD 4753 C CD B LYS B 252 ? 0.2725 0.3614 0.3866 -0.0240 0.0311 -0.0205 572 LYS H CD 4754 C CE A LYS B 252 ? 0.3591 0.3792 0.4082 -0.0191 0.0401 -0.0684 572 LYS H CE 4755 C CE B LYS B 252 ? 0.3096 0.3850 0.4028 -0.0342 0.0372 -0.0184 572 LYS H CE 4756 N NZ A LYS B 252 ? 0.4008 0.3988 0.4276 -0.0055 0.0493 -0.0675 572 LYS H NZ 4757 N NZ B LYS B 252 ? 0.3747 0.4067 0.4212 -0.0172 0.0168 -0.0170 572 LYS H NZ 4783 N N . VAL B 253 ? 0.1332 0.1892 0.2069 0.0282 0.0031 -0.0482 573 VAL H N 4784 C CA . VAL B 253 ? 0.1115 0.1826 0.1935 0.0337 0.0106 -0.0538 573 VAL H CA 4785 C C . VAL B 253 ? 0.1434 0.1831 0.2147 0.0425 0.0241 -0.0742 573 VAL H C 4786 O O . VAL B 253 ? 0.1795 0.1960 0.2185 0.0547 0.0199 -0.0839 573 VAL H O 4787 C CB . VAL B 253 ? 0.1282 0.1928 0.1728 0.0380 0.0249 -0.0435 573 VAL H CB 4788 C CG1 . VAL B 253 ? 0.1642 0.2345 0.1688 0.0488 -0.0013 -0.0427 573 VAL H CG1 4789 C CG2 . VAL B 253 ? 0.2124 0.1877 0.1770 0.0106 0.0226 -0.0173 573 VAL H CG2 4799 N N . ILE B 254 ? 0.1586 0.1686 0.2079 0.0121 0.0222 -0.0649 574 ILE H N 4800 C CA . ILE B 254 ? 0.2110 0.1725 0.2762 0.0022 0.0689 -0.0842 574 ILE H CA 4801 C C . ILE B 254 ? 0.2628 0.1718 0.2962 0.0532 0.0761 -0.0693 574 ILE H C 4802 O O . ILE B 254 ? 0.3044 0.1890 0.3262 0.0478 0.0862 -0.0900 574 ILE H O 4803 C CB . ILE B 254 ? 0.2222 0.1488 0.3179 -0.0174 0.0837 -0.0582 574 ILE H CB 4804 C CG1 . ILE B 254 ? 0.1696 0.1887 0.3253 0.0271 0.0594 -0.0843 574 ILE H CG1 4805 C CG2 . ILE B 254 ? 0.2551 0.1929 0.3767 -0.0172 0.0986 -0.0615 574 ILE H CG2 4806 C CD1 . ILE B 254 ? 0.2008 0.2139 0.3441 -0.0149 0.0132 -0.0793 574 ILE H CD1 4818 N N . ASP B 255 ? 0.2661 0.1828 0.3172 0.0989 0.0326 -0.0739 575 ASP H N 4819 C CA . ASP B 255 ? 0.3091 0.2199 0.3316 0.1287 -0.0031 -0.0680 575 ASP H CA 4820 C C . ASP B 255 ? 0.2653 0.2450 0.3323 0.1386 -0.0117 -0.0687 575 ASP H C 4821 O O . ASP B 255 ? 0.3206 0.2493 0.3549 0.1453 -0.0039 -0.0612 575 ASP H O 4822 C CB . ASP B 255 ? 0.3664 0.3002 0.3658 0.1513 -0.0155 -0.0422 575 ASP H CB 4823 C CG . ASP B 255 ? 0.4246 0.3042 0.3759 0.1731 -0.0484 -0.0234 575 ASP H CG 4824 O OD1 . ASP B 255 ? 0.4542 0.3303 0.3890 0.2078 -0.0792 -0.0286 575 ASP H OD1 4825 O OD2 . ASP B 255 ? 0.5080 0.2878 0.3899 0.1431 -0.0172 -0.0090 575 ASP H OD2 4830 N N . GLN B 256 ? 0.2238 0.2480 0.3068 0.1064 -0.0019 -0.1027 576 GLN H N 4831 C CA . GLN B 256 ? 0.1841 0.3139 0.3117 0.0596 0.0051 -0.1089 576 GLN H CA 4832 C C . GLN B 256 ? 0.1943 0.2961 0.3020 0.0685 0.0331 -0.1177 576 GLN H C 4833 O O . GLN B 256 ? 0.2191 0.3040 0.3408 0.0728 0.0409 -0.1388 576 GLN H O 4834 C CB . GLN B 256 ? 0.1872 0.3708 0.3413 0.0446 0.0395 -0.0872 576 GLN H CB 4835 C CG . GLN B 256 ? 0.2603 0.4413 0.3936 0.0062 0.0579 -0.0531 576 GLN H CG 4836 C CD . GLN B 256 ? 0.3298 0.5010 0.4339 -0.0261 0.0822 -0.0468 576 GLN H CD 4837 O OE1 . GLN B 256 ? 0.3676 0.5212 0.4794 -0.0495 0.0511 -0.0514 576 GLN H OE1 4838 N NE2 . GLN B 256 ? 0.3630 0.5300 0.4295 -0.0459 0.0845 -0.0205 576 GLN H NE2 4847 N N . PHE B 257 ? 0.1790 0.2417 0.2726 0.0274 0.0313 -0.1182 577 PHE H N 4848 C CA . PHE B 257 ? 0.2184 0.2503 0.2725 0.0388 0.0561 -0.1189 577 PHE H CA 4849 C C . PHE B 257 ? 0.2368 0.2556 0.3101 0.0254 0.0321 -0.1277 577 PHE H C 4850 O O . PHE B 257 ? 0.3372 0.2896 0.3195 0.0282 -0.0168 -0.1308 577 PHE H O 4851 C CB . PHE B 257 ? 0.2145 0.2603 0.2453 0.0336 0.0248 -0.0886 577 PHE H CB 4852 C CG . PHE B 257 ? 0.2200 0.2839 0.2496 0.0320 0.0757 -0.0715 577 PHE H CG 4853 C CD1 . PHE B 257 ? 0.2708 0.3298 0.2838 0.0134 0.1248 -0.0798 577 PHE H CD1 4854 C CD2 . PHE B 257 ? 0.2393 0.2653 0.2575 0.0079 0.0604 -0.0670 577 PHE H CD2 4855 C CE1 . PHE B 257 ? 0.2664 0.3426 0.3036 0.0248 0.1265 -0.0663 577 PHE H CE1 4856 C CE2 . PHE B 257 ? 0.2493 0.2908 0.2685 0.0017 0.0823 -0.0461 577 PHE H CE2 4857 C CZ . PHE B 257 ? 0.2661 0.3121 0.3067 0.0093 0.1001 -0.0457 577 PHE H CZ 4867 N N . GLY B 258 ? 0.1801 0.2371 0.3453 0.0386 0.0327 -0.1166 578 GLY H N 4868 C CA . GLY B 258 ? 0.1870 0.2247 0.3863 0.0144 0.0377 -0.1006 578 GLY H CA 4869 C C . GLY B 258 ? 0.1945 0.2030 0.4255 0.0521 0.0304 -0.0706 578 GLY H C 4870 O O . GLY B 258 ? 0.2434 0.1958 0.4242 0.0744 0.0143 -0.0118 578 GLY H O 4874 N N . GLU B 259 ? 0.2611 0.2171 0.4562 0.0544 0.0370 -0.0640 579 GLU H N 4875 C CA . GLU B 259 ? 0.3072 0.2424 0.4710 0.0351 0.0566 -0.0629 579 GLU H CA 4876 C C . GLU B 259 ? 0.2903 0.2417 0.4544 0.0634 0.0446 -0.0818 579 GLU H C 4877 O O . GLU B 259 ? 0.2980 0.2098 0.4464 0.0760 -0.0125 -0.0511 579 GLU H O 4878 C CB . GLU B 259 ? 0.4434 0.3754 0.5169 -0.0027 0.0493 -0.0012 579 GLU H CB 4879 C CG . GLU B 259 ? 0.5655 0.4626 0.5616 0.0042 0.0417 0.0271 579 GLU H CG 4880 C CD . GLU B 259 ? 0.6631 0.5150 0.5972 -0.0075 0.0219 0.0575 579 GLU H CD 4881 O OE1 . GLU B 259 ? 0.7144 0.5298 0.6179 0.0096 0.0111 0.0634 579 GLU H OE1 4882 O OE2 . GLU B 259 ? 0.6960 0.5468 0.5986 -0.0292 0.0019 0.0788 579 GLU H OE2 4883 O OXT . GLU B 259 ? 0.3325 0.2783 0.4865 0.0378 0.0443 -0.0633 579 GLU H OXT 4890 N N . DPN C 1 ? 0.2103 0.1625 0.1632 0.0264 -0.0183 0.0364 1 DPN I N 4891 C CA . DPN C 1 ? 0.1551 0.1320 0.1438 0.0106 -0.0048 0.0400 1 DPN I CA 4892 C C . DPN C 1 ? 0.1373 0.1403 0.0989 -0.0101 0.0064 0.0414 1 DPN I C 4893 O O . DPN C 1 ? 0.1523 0.1350 0.1160 0.0014 0.0117 0.0203 1 DPN I O 4894 C CB . DPN C 1 ? 0.1747 0.1308 0.1406 -0.0188 0.0151 0.0273 1 DPN I CB 4895 C CG . DPN C 1 ? 0.1511 0.1277 0.1585 -0.0224 0.0032 0.0374 1 DPN I CG 4896 C CD1 . DPN C 1 ? 0.1645 0.0924 0.1757 -0.0251 0.0056 0.0098 1 DPN I CD1 4897 C CD2 . DPN C 1 ? 0.1610 0.2056 0.1887 -0.0511 -0.0075 0.0450 1 DPN I CD2 4898 C CE1 . DPN C 1 ? 0.1528 0.1428 0.1813 -0.0289 0.0049 0.0140 1 DPN I CE1 4899 C CE2 . DPN C 1 ? 0.1747 0.2170 0.1780 -0.0598 -0.0017 0.0336 1 DPN I CE2 4900 C CZ . DPN C 1 ? 0.1522 0.1848 0.1885 -0.0144 -0.0159 0.0000 1 DPN I CZ 4911 N N . PRO C 2 ? 0.1466 0.1263 0.1105 -0.0325 0.0056 0.0334 2 PRO I N 4912 C CA . PRO C 2 ? 0.1213 0.1450 0.1034 -0.0009 0.0204 0.0278 2 PRO I CA 4913 C C . PRO C 2 ? 0.1121 0.1421 0.1080 -0.0112 0.0010 0.0218 2 PRO I C 4914 O O . PRO C 2 ? 0.1378 0.1221 0.1386 -0.0042 -0.0160 0.0312 2 PRO I O 4915 C CB . PRO C 2 ? 0.1205 0.1793 0.1330 -0.0239 0.0068 0.0296 2 PRO I CB 4916 C CG . PRO C 2 ? 0.1818 0.1838 0.1482 -0.0169 0.0310 0.0345 2 PRO I CG 4917 C CD . PRO C 2 ? 0.1632 0.1603 0.1345 -0.0251 0.0219 0.0337 2 PRO I CD 4925 N N . DAR C 3 ? 0.1213 0.1334 0.1026 -0.0135 0.0097 0.0171 3 DAR I N 4926 C CA . DAR C 3 ? 0.1190 0.1242 0.1125 -0.0058 0.0087 0.0184 3 DAR I CA 4927 C CB . DAR C 3 ? 0.1450 0.1705 0.1178 -0.0054 0.0159 0.0050 3 DAR I CB 4928 C CG . DAR C 3 ? 0.1479 0.1584 0.1597 -0.0106 0.0235 -0.0131 3 DAR I CG 4929 C CD . DAR C 3 ? 0.1541 0.1228 0.1619 0.0125 0.0481 0.0226 3 DAR I CD 4930 N NE . DAR C 3 ? 0.1342 0.1195 0.1523 0.0086 0.0173 0.0335 3 DAR I NE 4931 C CZ . DAR C 3 ? 0.1084 0.1020 0.1370 0.0148 0.0218 0.0185 3 DAR I CZ 4932 N NH1 . DAR C 3 ? 0.1211 0.0837 0.1323 0.0055 -0.0118 0.0204 3 DAR I NH1 4933 N NH2 . DAR C 3 ? 0.1214 0.1236 0.1448 0.0281 0.0139 0.0341 3 DAR I NH2 4934 C C . DAR C 3 ? 0.1212 0.1211 0.1117 -0.0200 -0.0130 0.0288 3 DAR I C 4935 O O . DAR C 3 ? 0.1376 0.1514 0.1303 -0.0051 -0.0174 0.0286 3 DAR I O 4948 N N . DTH C 4 ? 0.1473 0.1243 0.0977 0.0009 -0.0041 0.0173 4 DTH I N 4949 C CA . DTH C 4 ? 0.1268 0.1621 0.1154 -0.0295 -0.0056 0.0243 4 DTH I CA 4950 C CB . DTH C 4 ? 0.1556 0.1973 0.1025 -0.0079 0.0075 0.0488 4 DTH I CB 4951 C CG2 . DTH C 4 ? 0.1706 0.1827 0.1078 0.0010 0.0021 0.0078 4 DTH I CG2 4952 O OG1 . DTH C 4 ? 0.1819 0.2625 0.1006 -0.0094 0.0147 0.0465 4 DTH I OG1 4953 C C . DTH C 4 ? 0.1415 0.1901 0.1192 -0.0172 -0.0027 0.0210 4 DTH I C 4954 O O . DTH C 4 ? 0.1308 0.1715 0.1222 -0.0286 -0.0038 0.0124 4 DTH I O 4962 N N . NH2 C 5 ? 0.1825 0.2876 0.1446 -0.0403 -0.0336 0.0400 5 NH2 I N # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ALA 1 291 291 ALA ALA L . n A 1 2 ASP 2 292 292 ASP ASP L . n A 1 3 CYS 3 293 293 CYS CYS L . n A 1 4 GLY 4 294 294 GLY GLY L . n A 1 5 LEU 5 295 295 LEU LEU L . n A 1 6 ARG 6 296 296 ARG ARG L . n A 1 7 PRO 7 297 297 PRO PRO L . n A 1 8 LEU 8 298 298 LEU LEU L . n A 1 9 PHE 9 299 299 PHE PHE L . n A 1 10 GLU 10 300 300 GLU GLU L . n A 1 11 LYS 11 301 301 LYS LYS L . n A 1 12 LYS 12 302 302 LYS LYS L . n A 1 13 SER 13 303 303 SER SER L . n A 1 14 LEU 14 304 304 LEU LEU L . n A 1 15 GLU 15 305 305 GLU GLU L . n A 1 16 ASP 16 306 306 ASP ASP L . n A 1 17 LYS 17 307 307 LYS LYS L . n A 1 18 THR 18 308 308 THR THR L . n A 1 19 GLU 19 309 309 GLU GLU L . n A 1 20 ARG 20 310 310 ARG ARG L . n A 1 21 GLU 21 311 311 GLU GLU L . n A 1 22 LEU 22 312 312 LEU LEU L . n A 1 23 LEU 23 313 313 LEU LEU L . n A 1 24 GLU 24 314 314 GLU GLU L . n A 1 25 SER 25 315 315 SER SER L . n A 1 26 TYR 26 316 316 TYR TYR L . n A 1 27 ILE 27 317 317 ILE ILE L . n A 1 28 ASP 28 318 318 ASP ASP L . n A 1 29 GLY 29 319 319 GLY GLY L . n A 1 30 ARG 30 320 320 ARG ARG L . n B 2 1 ILE 1 321 321 ILE ILE H . n B 2 2 VAL 2 322 322 VAL VAL H . n B 2 3 GLU 3 323 323 GLU GLU H . n B 2 4 GLY 4 324 324 GLY GLY H . n B 2 5 SER 5 325 325 SER SER H . n B 2 6 ASP 6 326 326 ASP ASP H . n B 2 7 ALA 7 327 327 ALA ALA H . n B 2 8 GLU 8 328 328 GLU GLU H . n B 2 9 ILE 9 329 329 ILE ILE H . n B 2 10 GLY 10 330 330 GLY GLY H . n B 2 11 MET 11 331 331 MET MET H . n B 2 12 SER 12 332 332 SER SER H . n B 2 13 PRO 13 333 333 PRO PRO H . n B 2 14 TRP 14 334 334 TRP TRP H . n B 2 15 GLN 15 335 335 GLN GLN H . n B 2 16 VAL 16 336 336 VAL VAL H . n B 2 17 MET 17 337 337 MET MET H . n B 2 18 LEU 18 338 338 LEU LEU H . n B 2 19 PHE 19 339 339 PHE PHE H . n B 2 20 ARG 20 340 340 ARG ARG H . n B 2 21 LYS 21 341 341 LYS LYS H . n B 2 22 SER 22 342 342 SER SER H . n B 2 23 PRO 23 343 343 PRO PRO H . n B 2 24 GLN 24 344 344 GLN GLN H . n B 2 25 GLU 25 345 345 GLU GLU H . n B 2 26 LEU 26 346 346 LEU LEU H . n B 2 27 LEU 27 347 347 LEU LEU H . n B 2 28 CYS 28 348 348 CYS CYS H . n B 2 29 GLY 29 349 349 GLY GLY H . n B 2 30 ALA 30 350 350 ALA ALA H . n B 2 31 SER 31 351 351 SER SER H . n B 2 32 LEU 32 352 352 LEU LEU H . n B 2 33 ILE 33 353 353 ILE ILE H . n B 2 34 SER 34 354 354 SER SER H . n B 2 35 ASP 35 355 355 ASP ASP H . n B 2 36 ARG 36 356 356 ARG ARG H . n B 2 37 TRP 37 357 357 TRP TRP H . n B 2 38 VAL 38 358 358 VAL VAL H . n B 2 39 LEU 39 359 359 LEU LEU H . n B 2 40 THR 40 360 360 THR THR H . n B 2 41 ALA 41 361 361 ALA ALA H . n B 2 42 ALA 42 362 362 ALA ALA H . n B 2 43 HIS 43 363 363 HIS HIS H . n B 2 44 CYS 44 364 364 CYS CYS H . n B 2 45 LEU 45 365 365 LEU LEU H . n B 2 46 LEU 46 366 366 LEU LEU H . n B 2 47 TYR 47 367 367 TYR TYR H . n B 2 48 PRO 48 368 368 PRO PRO H . n B 2 49 PRO 49 369 369 PRO PRO H . n B 2 50 TRP 50 370 370 TRP TRP H . n B 2 51 ASP 51 371 371 ASP ASP H . n B 2 52 LYS 52 372 372 LYS LYS H . n B 2 53 ASN 53 373 373 ASN ASN H . n B 2 54 PHE 54 374 374 PHE PHE H . n B 2 55 THR 55 375 375 THR THR H . n B 2 56 GLU 56 376 376 GLU GLU H . n B 2 57 ASN 57 377 377 ASN ASN H . n B 2 58 ASP 58 378 378 ASP ASP H . n B 2 59 LEU 59 379 379 LEU LEU H . n B 2 60 LEU 60 380 380 LEU LEU H . n B 2 61 VAL 61 381 381 VAL VAL H . n B 2 62 ARG 62 382 382 ARG ARG H . n B 2 63 ILE 63 383 383 ILE ILE H . n B 2 64 GLY 64 384 384 GLY GLY H . n B 2 65 LYS 65 385 385 LYS LYS H . n B 2 66 HIS 66 386 386 HIS HIS H . n B 2 67 SER 67 387 387 SER SER H . n B 2 68 ARG 68 388 388 ARG ARG H . n B 2 69 THR 69 389 389 THR THR H . n B 2 70 ARG 70 390 390 ARG ARG H . n B 2 71 TYR 71 391 391 TYR TYR H . n B 2 72 GLU 72 392 392 GLU GLU H . n B 2 73 ARG 73 393 393 ARG ARG H . n B 2 74 ASN 74 394 394 ASN ASN H . n B 2 75 ILE 75 395 395 ILE ILE H . n B 2 76 GLU 76 396 396 GLU GLU H . n B 2 77 LYS 77 397 397 LYS LYS H . n B 2 78 ILE 78 398 398 ILE ILE H . n B 2 79 SER 79 399 399 SER SER H . n B 2 80 MET 80 400 400 MET MET H . n B 2 81 LEU 81 401 401 LEU LEU H . n B 2 82 GLU 82 402 402 GLU GLU H . n B 2 83 LYS 83 403 403 LYS LYS H . n B 2 84 ILE 84 404 404 ILE ILE H . n B 2 85 TYR 85 405 405 TYR TYR H . n B 2 86 ILE 86 406 406 ILE ILE H . n B 2 87 HIS 87 407 407 HIS HIS H . n B 2 88 PRO 88 408 408 PRO PRO H . n B 2 89 ARG 89 409 409 ARG ARG H . n B 2 90 TYR 90 410 410 TYR TYR H . n B 2 91 ASN 91 411 411 ASN ASN H . n B 2 92 TRP 92 412 412 TRP TRP H . n B 2 93 ARG 93 413 413 ARG ARG H . n B 2 94 GLU 94 414 414 GLU GLU H . n B 2 95 ASN 95 415 415 ASN ASN H . n B 2 96 LEU 96 416 416 LEU LEU H . n B 2 97 ASP 97 417 417 ASP ASP H . n B 2 98 ARG 98 418 418 ARG ARG H . n B 2 99 ASP 99 419 419 ASP ASP H . n B 2 100 ILE 100 420 420 ILE ILE H . n B 2 101 ALA 101 421 421 ALA ALA H . n B 2 102 LEU 102 422 422 LEU LEU H . n B 2 103 MET 103 423 423 MET MET H . n B 2 104 LYS 104 424 424 LYS LYS H . n B 2 105 LEU 105 425 425 LEU LEU H . n B 2 106 LYS 106 426 426 LYS LYS H . n B 2 107 LYS 107 427 427 LYS LYS H . n B 2 108 PRO 108 428 428 PRO PRO H . n B 2 109 VAL 109 429 429 VAL VAL H . n B 2 110 ALA 110 430 430 ALA ALA H . n B 2 111 PHE 111 431 431 PHE PHE H . n B 2 112 SER 112 432 432 SER SER H . n B 2 113 ASP 113 433 433 ASP ASP H . n B 2 114 TYR 114 434 434 TYR TYR H . n B 2 115 ILE 115 435 435 ILE ILE H . n B 2 116 HIS 116 436 436 HIS HIS H . n B 2 117 PRO 117 437 437 PRO PRO H . n B 2 118 VAL 118 438 438 VAL VAL H . n B 2 119 CYS 119 439 439 CYS CYS H . n B 2 120 LEU 120 440 440 LEU LEU H . n B 2 121 PRO 121 441 441 PRO PRO H . n B 2 122 ASP 122 442 442 ASP ASP H . n B 2 123 ARG 123 443 443 ARG ARG H . n B 2 124 GLU 124 444 444 GLU GLU H . n B 2 125 THR 125 445 445 THR THR H . n B 2 126 ALA 126 446 446 ALA ALA H . n B 2 127 ALA 127 447 447 ALA ALA H . n B 2 128 SER 128 448 448 SER SER H . n B 2 129 LEU 129 449 449 LEU LEU H . n B 2 130 LEU 130 450 450 LEU LEU H . n B 2 131 GLN 131 451 451 GLN GLN H . n B 2 132 ALA 132 452 452 ALA ALA H . n B 2 133 GLY 133 453 453 GLY GLY H . n B 2 134 TYR 134 454 454 TYR TYR H . n B 2 135 LYS 135 455 455 LYS LYS H . n B 2 136 GLY 136 456 456 GLY GLY H . n B 2 137 ARG 137 457 457 ARG ARG H . n B 2 138 VAL 138 458 458 VAL VAL H . n B 2 139 THR 139 459 459 THR THR H . n B 2 140 GLY 140 460 460 GLY GLY H . n B 2 141 TRP 141 461 461 TRP TRP H . n B 2 142 GLY 142 462 462 GLY GLY H . n B 2 143 ASN 143 463 463 ASN ASN H . n B 2 144 LEU 144 464 464 LEU LEU H . n B 2 145 LYS 145 465 465 LYS LYS H . n B 2 146 GLU 146 466 466 GLU GLU H . n B 2 147 THR 147 467 ? ? ? H . n B 2 148 TRP 148 468 ? ? ? H . n B 2 149 THR 149 469 ? ? ? H . n B 2 150 ALA 150 470 ? ? ? H . n B 2 151 ASN 151 471 ? ? ? H . n B 2 152 VAL 152 472 ? ? ? H . n B 2 153 GLY 153 473 ? ? ? H . n B 2 154 LYS 154 474 ? ? ? H . n B 2 155 GLY 155 475 475 GLY GLY H . n B 2 156 GLN 156 476 476 GLN GLN H . n B 2 157 PRO 157 477 477 PRO PRO H . n B 2 158 SER 158 478 478 SER SER H . n B 2 159 VAL 159 479 479 VAL VAL H . n B 2 160 LEU 160 480 480 LEU LEU H . n B 2 161 GLN 161 481 481 GLN GLN H . n B 2 162 VAL 162 482 482 VAL VAL H . n B 2 163 VAL 163 483 483 VAL VAL H . n B 2 164 ASN 164 484 484 ASN ASN H . n B 2 165 LEU 165 485 485 LEU LEU H . n B 2 166 PRO 166 486 486 PRO PRO H . n B 2 167 ILE 167 487 487 ILE ILE H . n B 2 168 VAL 168 488 488 VAL VAL H . n B 2 169 GLU 169 489 489 GLU GLU H . n B 2 170 ARG 170 490 490 ARG ARG H . n B 2 171 PRO 171 491 491 PRO PRO H . n B 2 172 VAL 172 492 492 VAL VAL H . n B 2 173 CYS 173 493 493 CYS CYS H . n B 2 174 LYS 174 494 494 LYS LYS H . n B 2 175 ASP 175 495 495 ASP ASP H . n B 2 176 SER 176 496 496 SER SER H . n B 2 177 THR 177 497 497 THR THR H . n B 2 178 ARG 178 498 498 ARG ARG H . n B 2 179 ILE 179 499 499 ILE ILE H . n B 2 180 ARG 180 500 500 ARG ARG H . n B 2 181 ILE 181 501 501 ILE ILE H . n B 2 182 THR 182 502 502 THR THR H . n B 2 183 ASP 183 503 503 ASP ASP H . n B 2 184 ASN 184 504 504 ASN ASN H . n B 2 185 MET 185 505 505 MET MET H . n B 2 186 PHE 186 506 506 PHE PHE H . n B 2 187 CYS 187 507 507 CYS CYS H . n B 2 188 ALA 188 508 508 ALA ALA H . n B 2 189 GLY 189 509 509 GLY GLY H . n B 2 190 TYR 190 510 510 TYR TYR H . n B 2 191 LYS 191 511 511 LYS LYS H . n B 2 192 PRO 192 512 512 PRO PRO H . n B 2 193 ASP 193 513 513 ASP ASP H . n B 2 194 GLU 194 514 514 GLU GLU H . n B 2 195 GLY 195 515 515 GLY GLY H . n B 2 196 LYS 196 516 516 LYS LYS H . n B 2 197 ARG 197 517 517 ARG ARG H . n B 2 198 GLY 198 518 518 GLY GLY H . n B 2 199 ASP 199 519 519 ASP ASP H . n B 2 200 ALA 200 520 520 ALA ALA H . n B 2 201 CYS 201 521 521 CYS CYS H . n B 2 202 GLU 202 522 522 GLU GLU H . n B 2 203 GLY 203 523 523 GLY GLY H . n B 2 204 ASP 204 524 524 ASP ASP H . n B 2 205 SER 205 525 525 SER SER H . n B 2 206 GLY 206 526 526 GLY GLY H . n B 2 207 GLY 207 527 527 GLY GLY H . n B 2 208 PRO 208 528 528 PRO PRO H . n B 2 209 PHE 209 529 529 PHE PHE H . n B 2 210 VAL 210 530 530 VAL VAL H . n B 2 211 MET 211 531 531 MET MET H . n B 2 212 LYS 212 532 532 LYS LYS H . n B 2 213 SER 213 533 533 SER SER H . n B 2 214 PRO 214 534 534 PRO PRO H . n B 2 215 PHE 215 535 535 PHE PHE H . n B 2 216 ASN 216 536 536 ASN ASN H . n B 2 217 ASN 217 537 537 ASN ASN H . n B 2 218 ARG 218 538 538 ARG ARG H . n B 2 219 TRP 219 539 539 TRP TRP H . n B 2 220 TYR 220 540 540 TYR TYR H . n B 2 221 GLN 221 541 541 GLN GLN H . n B 2 222 MET 222 542 542 MET MET H . n B 2 223 GLY 223 543 543 GLY GLY H . n B 2 224 ILE 224 544 544 ILE ILE H . n B 2 225 VAL 225 545 545 VAL VAL H . n B 2 226 SER 226 546 546 SER SER H . n B 2 227 TRP 227 547 547 TRP TRP H . n B 2 228 GLY 228 548 548 GLY GLY H . n B 2 229 GLU 229 549 549 GLU GLU H . n B 2 230 GLY 230 550 550 GLY GLY H . n B 2 231 CYS 231 551 551 CYS CYS H . n B 2 232 ASP 232 552 552 ASP ASP H . n B 2 233 ARG 233 553 553 ARG ARG H . n B 2 234 ASP 234 554 554 ASP ASP H . n B 2 235 GLY 235 555 555 GLY GLY H . n B 2 236 LYS 236 556 556 LYS LYS H . n B 2 237 TYR 237 557 557 TYR TYR H . n B 2 238 GLY 238 558 558 GLY GLY H . n B 2 239 PHE 239 559 559 PHE PHE H . n B 2 240 TYR 240 560 560 TYR TYR H . n B 2 241 THR 241 561 561 THR THR H . n B 2 242 HIS 242 562 562 HIS HIS H . n B 2 243 VAL 243 563 563 VAL VAL H . n B 2 244 PHE 244 564 564 PHE PHE H . n B 2 245 ARG 245 565 565 ARG ARG H . n B 2 246 LEU 246 566 566 LEU LEU H . n B 2 247 LYS 247 567 567 LYS LYS H . n B 2 248 LYS 248 568 568 LYS LYS H . n B 2 249 TRP 249 569 569 TRP TRP H . n B 2 250 ILE 250 570 570 ILE ILE H . n B 2 251 GLN 251 571 571 GLN GLN H . n B 2 252 LYS 252 572 572 LYS LYS H . n B 2 253 VAL 253 573 573 VAL VAL H . n B 2 254 ILE 254 574 574 ILE ILE H . n B 2 255 ASP 255 575 575 ASP ASP H . n B 2 256 GLN 256 576 576 GLN GLN H . n B 2 257 PHE 257 577 577 PHE PHE H . n B 2 258 GLY 258 578 578 GLY GLY H . n B 2 259 GLU 259 579 579 GLU GLU H . n C 3 1 DPN 1 1 1 DPN DPN I . n C 3 2 PRO 2 2 2 PRO PRO I . n C 3 3 DAR 3 3 3 DAR DAR I . n C 3 4 DTH 4 4 4 DTH DTH I . n C 3 5 NH2 5 5 5 NH2 NH2 I . n # _pdbx_molecule_features.prd_id PRD_000940 _pdbx_molecule_features.name 'D-phenylalanyl-L-prolyl-N~5~-[amino(iminio)methyl]-D-ornithyl-D-threoninamide' _pdbx_molecule_features.type Peptide-like _pdbx_molecule_features.class 'Thrombin inhibitor' _pdbx_molecule_features.details ? # _pdbx_molecule.instance_id 1 _pdbx_molecule.prd_id PRD_000940 _pdbx_molecule.asym_id C # _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 373 _pdbx_struct_mod_residue.PDB_ins_code ? _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 # 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)' 4340 ? 1 MORE -45 ? 1 'SSA (A^2)' 12440 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 O ? K HOH . ? H HOH 760 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? B ARG 233 ? H ARG 553 ? 1_555 98.4 ? 2 O ? K HOH . ? H HOH 760 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? B LYS 236 ? H LYS 556 ? 1_555 81.3 ? 3 O ? B ARG 233 ? H ARG 553 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? B LYS 236 ? H LYS 556 ? 1_555 93.0 ? 4 O ? K HOH . ? H HOH 760 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? K HOH . ? H HOH 731 ? 1_555 96.9 ? 5 O ? B ARG 233 ? H ARG 553 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? K HOH . ? H HOH 731 ? 1_555 106.7 ? 6 O ? B LYS 236 ? H LYS 556 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? K HOH . ? H HOH 731 ? 1_555 160.3 ? 7 O ? K HOH . ? H HOH 760 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? K HOH . ? H HOH 736 ? 1_555 89.6 ? 8 O ? B ARG 233 ? H ARG 553 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? K HOH . ? H HOH 736 ? 1_555 160.1 ? 9 O ? B LYS 236 ? H LYS 556 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? K HOH . ? H HOH 736 ? 1_555 70.2 ? 10 O ? K HOH . ? H HOH 731 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? K HOH . ? H HOH 736 ? 1_555 90.2 ? 11 O ? K HOH . ? H HOH 760 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? K HOH . ? H HOH 759 ? 1_555 172.2 ? 12 O ? B ARG 233 ? H ARG 553 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? K HOH . ? H HOH 759 ? 1_555 87.7 ? 13 O ? B LYS 236 ? H LYS 556 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? K HOH . ? H HOH 759 ? 1_555 93.6 ? 14 O ? K HOH . ? H HOH 731 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? K HOH . ? H HOH 759 ? 1_555 85.9 ? 15 O ? K HOH . ? H HOH 736 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? K HOH . ? H HOH 759 ? 1_555 83.0 ? # 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 2012-05-23 2 'Structure model' 1 1 2013-04-17 3 'Structure model' 1 2 2013-06-05 # _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' Other 2 3 'Structure model' Other # _pdbx_phasing_MR.entry_id 3U8O _pdbx_phasing_MR.method_rotation ? _pdbx_phasing_MR.method_translation ? _pdbx_phasing_MR.model_details 'Phaser MODE: MR_AUTO' _pdbx_phasing_MR.R_factor 30.650 _pdbx_phasing_MR.R_rigid_body ? _pdbx_phasing_MR.correlation_coeff_Fo_to_Fc ? _pdbx_phasing_MR.correlation_coeff_Io_to_Ic ? _pdbx_phasing_MR.d_res_high_rotation 2.500 _pdbx_phasing_MR.d_res_low_rotation 36.340 _pdbx_phasing_MR.d_res_high_translation 2.500 _pdbx_phasing_MR.d_res_low_translation 36.340 _pdbx_phasing_MR.packing ? _pdbx_phasing_MR.reflns_percent_rotation ? _pdbx_phasing_MR.reflns_percent_translation ? _pdbx_phasing_MR.sigma_F_rotation ? _pdbx_phasing_MR.sigma_F_translation ? _pdbx_phasing_MR.sigma_I_rotation ? _pdbx_phasing_MR.sigma_I_translation ? # _phasing.method MR # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 SCALA 3.3.15 2009/03/31 other 'Phil R. Evans' pre@mrc-lmb.cam.ac.uk 'data scaling' http://www.ccp4.ac.uk/dist/html/scala.html Fortran_77 ? 2 PHASER 2.1.4 'Wed Jun 24 14:00:05 2009' program 'Randy J. Read' cimr-phaser@lists.cam.ac.uk phasing http://www-structmed.cimr.cam.ac.uk/phaser/ ? ? 3 PHENIX 1.7.2_869 ? package 'Paul D. Adams' PDAdams@lbl.gov refinement http://www.phenix-online.org/ C++ ? 4 PDB_EXTRACT 3.10 'June 10, 2010' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 5 MOSFLM . ? ? ? ? 'data reduction' ? ? ? # 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 HD1 H HIS 407 ? ? H H ARG 409 ? ? 1.29 2 1 O H HOH 701 ? ? O H HOH 1017 ? ? 1.70 3 1 O L HOH 422 ? ? O L HOH 456 ? ? 1.80 4 1 O H HOH 765 ? ? O H HOH 1082 ? ? 1.86 5 1 O H HOH 1048 ? ? O H HOH 1052 ? ? 1.87 6 1 O H HOH 1048 ? ? O H HOH 1062 ? ? 2.10 7 1 O H HOH 928 ? ? O H HOH 934 ? ? 2.10 8 1 O H HOH 936 ? ? O H HOH 938 ? ? 2.12 9 1 OG1 H THR 561 ? ? O H HOH 702 ? ? 2.16 10 1 O H HOH 880 ? ? O H HOH 975 ? ? 2.18 # loop_ _pdbx_validate_symm_contact.id _pdbx_validate_symm_contact.PDB_model_num _pdbx_validate_symm_contact.auth_atom_id_1 _pdbx_validate_symm_contact.auth_asym_id_1 _pdbx_validate_symm_contact.auth_comp_id_1 _pdbx_validate_symm_contact.auth_seq_id_1 _pdbx_validate_symm_contact.PDB_ins_code_1 _pdbx_validate_symm_contact.label_alt_id_1 _pdbx_validate_symm_contact.site_symmetry_1 _pdbx_validate_symm_contact.auth_atom_id_2 _pdbx_validate_symm_contact.auth_asym_id_2 _pdbx_validate_symm_contact.auth_comp_id_2 _pdbx_validate_symm_contact.auth_seq_id_2 _pdbx_validate_symm_contact.PDB_ins_code_2 _pdbx_validate_symm_contact.label_alt_id_2 _pdbx_validate_symm_contact.site_symmetry_2 _pdbx_validate_symm_contact.dist 1 1 HH11 H ARG 393 ? ? 1_555 OE1 H GLU 444 ? ? 2_455 1.59 2 1 O L HOH 456 ? ? 1_555 O H HOH 970 ? ? 4_545 1.87 3 1 O H HOH 971 ? ? 1_555 O H HOH 975 ? ? 4_545 2.15 4 1 O H HOH 904 ? ? 1_555 O H HOH 917 ? ? 4_545 2.15 5 1 OH H TYR 510 ? ? 1_555 O H HOH 1082 ? ? 4_545 2.16 6 1 O H HOH 974 ? ? 1_555 O H HOH 977 ? ? 4_545 2.18 # 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 299 ? ? -129.20 -88.06 2 1 TYR H 367 ? ? -155.41 84.98 3 1 ASN H 373 ? ? -161.92 80.78 4 1 HIS H 386 ? ? -125.64 -61.90 5 1 GLU H 392 ? ? -101.66 74.97 6 1 ILE H 395 ? ? -130.87 -30.03 7 1 ASN H 411 ? ? -101.86 73.65 8 1 GLU H 414 ? ? -124.02 -63.21 9 1 SER H 546 ? ? -120.27 -57.65 # 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 H THR 467 ? B THR 147 2 1 Y 1 H TRP 468 ? B TRP 148 3 1 Y 1 H THR 469 ? B THR 149 4 1 Y 1 H ALA 470 ? B ALA 150 5 1 Y 1 H ASN 471 ? B ASN 151 6 1 Y 1 H VAL 472 ? B VAL 152 7 1 Y 1 H GLY 473 ? B GLY 153 8 1 Y 1 H LYS 474 ? B LYS 154 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 N-ACETYL-D-GLUCOSAMINE NAG 5 'SODIUM ION' NA 6 'IODIDE ION' IOD 7 'CHLORIDE ION' CL 8 '(4R)-2-METHYLPENTANE-2,4-DIOL' MRD 9 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 NAG 1 601 1373 NAG NAG H . E 5 NA 1 602 1 NA NA H . F 6 IOD 1 603 2 IOD I H . G 7 CL 1 604 3 CL CL H . H 8 MRD 1 605 900 MRD MPD H . I 8 MRD 1 606 901 MRD MPD H . J 9 HOH 1 401 11 HOH HOH L . J 9 HOH 2 402 25 HOH HOH L . J 9 HOH 3 403 35 HOH HOH L . J 9 HOH 4 404 38 HOH HOH L . J 9 HOH 5 405 54 HOH HOH L . J 9 HOH 6 406 80 HOH HOH L . J 9 HOH 7 407 111 HOH HOH L . J 9 HOH 8 408 117 HOH HOH L . J 9 HOH 9 409 133 HOH HOH L . J 9 HOH 10 410 139 HOH HOH L . J 9 HOH 11 411 141 HOH HOH L . J 9 HOH 12 412 147 HOH HOH L . J 9 HOH 13 413 151 HOH HOH L . J 9 HOH 14 414 152 HOH HOH L . J 9 HOH 15 415 155 HOH HOH L . J 9 HOH 16 416 156 HOH HOH L . J 9 HOH 17 417 165 HOH HOH L . J 9 HOH 18 418 181 HOH HOH L . J 9 HOH 19 419 182 HOH HOH L . J 9 HOH 20 420 185 HOH HOH L . J 9 HOH 21 421 187 HOH HOH L . J 9 HOH 22 422 199 HOH HOH L . J 9 HOH 23 423 200 HOH HOH L . J 9 HOH 24 424 202 HOH HOH L . J 9 HOH 25 425 224 HOH HOH L . J 9 HOH 26 426 229 HOH HOH L . J 9 HOH 27 427 240 HOH HOH L . J 9 HOH 28 428 241 HOH HOH L . J 9 HOH 29 429 242 HOH HOH L . J 9 HOH 30 430 243 HOH HOH L . J 9 HOH 31 431 279 HOH HOH L . J 9 HOH 32 432 290 HOH HOH L . J 9 HOH 33 433 292 HOH HOH L . J 9 HOH 34 434 303 HOH HOH L . J 9 HOH 35 435 308 HOH HOH L . J 9 HOH 36 436 312 HOH HOH L . J 9 HOH 37 437 327 HOH HOH L . J 9 HOH 38 438 332 HOH HOH L . J 9 HOH 39 439 333 HOH HOH L . J 9 HOH 40 440 335 HOH HOH L . J 9 HOH 41 441 339 HOH HOH L . J 9 HOH 42 442 346 HOH HOH L . J 9 HOH 43 443 355 HOH HOH L . J 9 HOH 44 444 364 HOH HOH L . J 9 HOH 45 445 367 HOH HOH L . J 9 HOH 46 446 378 HOH HOH L . J 9 HOH 47 447 395 HOH HOH L . J 9 HOH 48 448 398 HOH HOH L . J 9 HOH 49 449 411 HOH HOH L . J 9 HOH 50 450 414 HOH HOH L . J 9 HOH 51 451 418 HOH HOH L . J 9 HOH 52 452 423 HOH HOH L . J 9 HOH 53 453 434 HOH HOH L . J 9 HOH 54 454 437 HOH HOH L . J 9 HOH 55 455 442 HOH HOH L . J 9 HOH 56 456 443 HOH HOH L . K 9 HOH 1 701 445 HOH HOH H . K 9 HOH 2 702 446 HOH HOH H . K 9 HOH 3 703 4 HOH HOH H . K 9 HOH 4 704 5 HOH HOH H . K 9 HOH 5 705 6 HOH HOH H . K 9 HOH 6 706 7 HOH HOH H . K 9 HOH 7 707 8 HOH HOH H . K 9 HOH 8 708 9 HOH HOH H . K 9 HOH 9 709 10 HOH HOH H . K 9 HOH 10 710 12 HOH HOH H . K 9 HOH 11 711 13 HOH HOH H . K 9 HOH 12 712 14 HOH HOH H . K 9 HOH 13 713 15 HOH HOH H . K 9 HOH 14 714 16 HOH HOH H . K 9 HOH 15 715 17 HOH HOH H . K 9 HOH 16 716 18 HOH HOH H . K 9 HOH 17 717 19 HOH HOH H . K 9 HOH 18 718 20 HOH HOH H . K 9 HOH 19 719 21 HOH HOH H . K 9 HOH 20 720 22 HOH HOH H . K 9 HOH 21 721 23 HOH HOH H . K 9 HOH 22 722 24 HOH HOH H . K 9 HOH 23 723 26 HOH HOH H . K 9 HOH 24 724 27 HOH HOH H . K 9 HOH 25 725 28 HOH HOH H . K 9 HOH 26 726 29 HOH HOH H . K 9 HOH 27 727 30 HOH HOH H . K 9 HOH 28 728 31 HOH HOH H . K 9 HOH 29 729 32 HOH HOH H . K 9 HOH 30 730 33 HOH HOH H . K 9 HOH 31 731 34 HOH HOH H . K 9 HOH 32 732 36 HOH HOH H . K 9 HOH 33 733 37 HOH HOH H . K 9 HOH 34 734 39 HOH HOH H . K 9 HOH 35 735 40 HOH HOH H . K 9 HOH 36 736 41 HOH HOH H . K 9 HOH 37 737 42 HOH HOH H . K 9 HOH 38 738 43 HOH HOH H . K 9 HOH 39 739 44 HOH HOH H . K 9 HOH 40 740 45 HOH HOH H . K 9 HOH 41 741 46 HOH HOH H . K 9 HOH 42 742 47 HOH HOH H . K 9 HOH 43 743 48 HOH HOH H . K 9 HOH 44 744 49 HOH HOH H . K 9 HOH 45 745 50 HOH HOH H . K 9 HOH 46 746 51 HOH HOH H . K 9 HOH 47 747 52 HOH HOH H . K 9 HOH 48 748 53 HOH HOH H . K 9 HOH 49 749 55 HOH HOH H . K 9 HOH 50 750 56 HOH HOH H . K 9 HOH 51 751 57 HOH HOH H . K 9 HOH 52 752 58 HOH HOH H . K 9 HOH 53 753 59 HOH HOH H . K 9 HOH 54 754 60 HOH HOH H . K 9 HOH 55 755 61 HOH HOH H . K 9 HOH 56 756 62 HOH HOH H . K 9 HOH 57 757 63 HOH HOH H . K 9 HOH 58 758 64 HOH HOH H . K 9 HOH 59 759 65 HOH HOH H . K 9 HOH 60 760 66 HOH HOH H . K 9 HOH 61 761 67 HOH HOH H . K 9 HOH 62 762 68 HOH HOH H . K 9 HOH 63 763 69 HOH HOH H . K 9 HOH 64 764 70 HOH HOH H . K 9 HOH 65 765 71 HOH HOH H . K 9 HOH 66 766 72 HOH HOH H . K 9 HOH 67 767 73 HOH HOH H . K 9 HOH 68 768 74 HOH HOH H . K 9 HOH 69 769 75 HOH HOH H . K 9 HOH 70 770 76 HOH HOH H . K 9 HOH 71 771 77 HOH HOH H . K 9 HOH 72 772 78 HOH HOH H . K 9 HOH 73 773 79 HOH HOH H . K 9 HOH 74 774 81 HOH HOH H . K 9 HOH 75 775 82 HOH HOH H . K 9 HOH 76 776 83 HOH HOH H . K 9 HOH 77 777 84 HOH HOH H . K 9 HOH 78 778 85 HOH HOH H . K 9 HOH 79 779 86 HOH HOH H . K 9 HOH 80 780 87 HOH HOH H . K 9 HOH 81 781 88 HOH HOH H . K 9 HOH 82 782 89 HOH HOH H . K 9 HOH 83 783 90 HOH HOH H . K 9 HOH 84 784 91 HOH HOH H . K 9 HOH 85 785 92 HOH HOH H . K 9 HOH 86 786 93 HOH HOH H . K 9 HOH 87 787 94 HOH HOH H . K 9 HOH 88 788 95 HOH HOH H . K 9 HOH 89 789 96 HOH HOH H . K 9 HOH 90 790 97 HOH HOH H . K 9 HOH 91 791 98 HOH HOH H . K 9 HOH 92 792 99 HOH HOH H . K 9 HOH 93 793 100 HOH HOH H . K 9 HOH 94 794 101 HOH HOH H . K 9 HOH 95 795 102 HOH HOH H . K 9 HOH 96 796 103 HOH HOH H . K 9 HOH 97 797 104 HOH HOH H . K 9 HOH 98 798 105 HOH HOH H . K 9 HOH 99 799 106 HOH HOH H . K 9 HOH 100 800 107 HOH HOH H . K 9 HOH 101 801 108 HOH HOH H . K 9 HOH 102 802 109 HOH HOH H . K 9 HOH 103 803 112 HOH HOH H . K 9 HOH 104 804 113 HOH HOH H . K 9 HOH 105 805 114 HOH HOH H . K 9 HOH 106 806 115 HOH HOH H . K 9 HOH 107 807 116 HOH HOH H . K 9 HOH 108 808 118 HOH HOH H . K 9 HOH 109 809 119 HOH HOH H . K 9 HOH 110 810 120 HOH HOH H . K 9 HOH 111 811 121 HOH HOH H . K 9 HOH 112 812 122 HOH HOH H . K 9 HOH 113 813 123 HOH HOH H . K 9 HOH 114 814 124 HOH HOH H . K 9 HOH 115 815 125 HOH HOH H . K 9 HOH 116 816 127 HOH HOH H . K 9 HOH 117 817 128 HOH HOH H . K 9 HOH 118 818 129 HOH HOH H . K 9 HOH 119 819 130 HOH HOH H . K 9 HOH 120 820 131 HOH HOH H . K 9 HOH 121 821 132 HOH HOH H . K 9 HOH 122 822 134 HOH HOH H . K 9 HOH 123 823 135 HOH HOH H . K 9 HOH 124 824 136 HOH HOH H . K 9 HOH 125 825 137 HOH HOH H . K 9 HOH 126 826 140 HOH HOH H . K 9 HOH 127 827 142 HOH HOH H . K 9 HOH 128 828 143 HOH HOH H . K 9 HOH 129 829 144 HOH HOH H . K 9 HOH 130 830 145 HOH HOH H . K 9 HOH 131 831 146 HOH HOH H . K 9 HOH 132 832 148 HOH HOH H . K 9 HOH 133 833 149 HOH HOH H . K 9 HOH 134 834 150 HOH HOH H . K 9 HOH 135 835 153 HOH HOH H . K 9 HOH 136 836 154 HOH HOH H . K 9 HOH 137 837 157 HOH HOH H . K 9 HOH 138 838 158 HOH HOH H . K 9 HOH 139 839 159 HOH HOH H . K 9 HOH 140 840 160 HOH HOH H . K 9 HOH 141 841 161 HOH HOH H . K 9 HOH 142 842 162 HOH HOH H . K 9 HOH 143 843 163 HOH HOH H . K 9 HOH 144 844 164 HOH HOH H . K 9 HOH 145 845 166 HOH HOH H . K 9 HOH 146 846 167 HOH HOH H . K 9 HOH 147 847 168 HOH HOH H . K 9 HOH 148 848 169 HOH HOH H . K 9 HOH 149 849 170 HOH HOH H . K 9 HOH 150 850 171 HOH HOH H . K 9 HOH 151 851 172 HOH HOH H . K 9 HOH 152 852 173 HOH HOH H . K 9 HOH 153 853 174 HOH HOH H . K 9 HOH 154 854 175 HOH HOH H . K 9 HOH 155 855 176 HOH HOH H . K 9 HOH 156 856 177 HOH HOH H . K 9 HOH 157 857 178 HOH HOH H . K 9 HOH 158 858 179 HOH HOH H . K 9 HOH 159 859 180 HOH HOH H . K 9 HOH 160 860 183 HOH HOH H . K 9 HOH 161 861 184 HOH HOH H . K 9 HOH 162 862 186 HOH HOH H . K 9 HOH 163 863 188 HOH HOH H . K 9 HOH 164 864 189 HOH HOH H . K 9 HOH 165 865 190 HOH HOH H . K 9 HOH 166 866 191 HOH HOH H . K 9 HOH 167 867 192 HOH HOH H . K 9 HOH 168 868 193 HOH HOH H . K 9 HOH 169 869 194 HOH HOH H . K 9 HOH 170 870 195 HOH HOH H . K 9 HOH 171 871 197 HOH HOH H . K 9 HOH 172 872 198 HOH HOH H . K 9 HOH 173 873 201 HOH HOH H . K 9 HOH 174 874 203 HOH HOH H . K 9 HOH 175 875 204 HOH HOH H . K 9 HOH 176 876 205 HOH HOH H . K 9 HOH 177 877 206 HOH HOH H . K 9 HOH 178 878 207 HOH HOH H . K 9 HOH 179 879 209 HOH HOH H . K 9 HOH 180 880 210 HOH HOH H . K 9 HOH 181 881 211 HOH HOH H . K 9 HOH 182 882 212 HOH HOH H . K 9 HOH 183 883 213 HOH HOH H . K 9 HOH 184 884 214 HOH HOH H . K 9 HOH 185 885 215 HOH HOH H . K 9 HOH 186 886 216 HOH HOH H . K 9 HOH 187 887 217 HOH HOH H . K 9 HOH 188 888 218 HOH HOH H . K 9 HOH 189 889 219 HOH HOH H . K 9 HOH 190 890 220 HOH HOH H . K 9 HOH 191 891 221 HOH HOH H . K 9 HOH 192 892 222 HOH HOH H . K 9 HOH 193 893 223 HOH HOH H . K 9 HOH 194 894 225 HOH HOH H . K 9 HOH 195 895 226 HOH HOH H . K 9 HOH 196 896 227 HOH HOH H . K 9 HOH 197 897 228 HOH HOH H . K 9 HOH 198 898 230 HOH HOH H . K 9 HOH 199 899 231 HOH HOH H . K 9 HOH 200 900 232 HOH HOH H . K 9 HOH 201 901 233 HOH HOH H . K 9 HOH 202 902 234 HOH HOH H . K 9 HOH 203 903 235 HOH HOH H . K 9 HOH 204 904 236 HOH HOH H . K 9 HOH 205 905 237 HOH HOH H . K 9 HOH 206 906 238 HOH HOH H . K 9 HOH 207 907 239 HOH HOH H . K 9 HOH 208 908 244 HOH HOH H . K 9 HOH 209 909 245 HOH HOH H . K 9 HOH 210 910 246 HOH HOH H . K 9 HOH 211 911 247 HOH HOH H . K 9 HOH 212 912 248 HOH HOH H . K 9 HOH 213 913 249 HOH HOH H . K 9 HOH 214 914 250 HOH HOH H . K 9 HOH 215 915 251 HOH HOH H . K 9 HOH 216 916 252 HOH HOH H . K 9 HOH 217 917 253 HOH HOH H . K 9 HOH 218 918 254 HOH HOH H . K 9 HOH 219 919 255 HOH HOH H . K 9 HOH 220 920 256 HOH HOH H . K 9 HOH 221 921 257 HOH HOH H . K 9 HOH 222 922 258 HOH HOH H . K 9 HOH 223 923 259 HOH HOH H . K 9 HOH 224 924 260 HOH HOH H . K 9 HOH 225 925 261 HOH HOH H . K 9 HOH 226 926 262 HOH HOH H . K 9 HOH 227 927 263 HOH HOH H . K 9 HOH 228 928 264 HOH HOH H . K 9 HOH 229 929 265 HOH HOH H . K 9 HOH 230 930 266 HOH HOH H . K 9 HOH 231 931 267 HOH HOH H . K 9 HOH 232 932 268 HOH HOH H . K 9 HOH 233 933 269 HOH HOH H . K 9 HOH 234 934 270 HOH HOH H . K 9 HOH 235 935 271 HOH HOH H . K 9 HOH 236 936 272 HOH HOH H . K 9 HOH 237 937 273 HOH HOH H . K 9 HOH 238 938 274 HOH HOH H . K 9 HOH 239 939 275 HOH HOH H . K 9 HOH 240 940 276 HOH HOH H . K 9 HOH 241 941 277 HOH HOH H . K 9 HOH 242 942 278 HOH HOH H . K 9 HOH 243 943 280 HOH HOH H . K 9 HOH 244 944 281 HOH HOH H . K 9 HOH 245 945 282 HOH HOH H . K 9 HOH 246 946 283 HOH HOH H . K 9 HOH 247 947 284 HOH HOH H . K 9 HOH 248 948 285 HOH HOH H . K 9 HOH 249 949 286 HOH HOH H . K 9 HOH 250 950 287 HOH HOH H . K 9 HOH 251 951 288 HOH HOH H . K 9 HOH 252 952 289 HOH HOH H . K 9 HOH 253 953 291 HOH HOH H . K 9 HOH 254 954 293 HOH HOH H . K 9 HOH 255 955 294 HOH HOH H . K 9 HOH 256 956 295 HOH HOH H . K 9 HOH 257 957 296 HOH HOH H . K 9 HOH 258 958 297 HOH HOH H . K 9 HOH 259 959 298 HOH HOH H . K 9 HOH 260 960 299 HOH HOH H . K 9 HOH 261 961 300 HOH HOH H . K 9 HOH 262 962 301 HOH HOH H . K 9 HOH 263 963 302 HOH HOH H . K 9 HOH 264 964 304 HOH HOH H . K 9 HOH 265 965 305 HOH HOH H . K 9 HOH 266 966 306 HOH HOH H . K 9 HOH 267 967 307 HOH HOH H . K 9 HOH 268 968 309 HOH HOH H . K 9 HOH 269 969 310 HOH HOH H . K 9 HOH 270 970 311 HOH HOH H . K 9 HOH 271 971 313 HOH HOH H . K 9 HOH 272 972 314 HOH HOH H . K 9 HOH 273 973 315 HOH HOH H . K 9 HOH 274 974 316 HOH HOH H . K 9 HOH 275 975 317 HOH HOH H . K 9 HOH 276 976 318 HOH HOH H . K 9 HOH 277 977 319 HOH HOH H . K 9 HOH 278 978 320 HOH HOH H . K 9 HOH 279 979 321 HOH HOH H . K 9 HOH 280 980 322 HOH HOH H . K 9 HOH 281 981 323 HOH HOH H . K 9 HOH 282 982 324 HOH HOH H . K 9 HOH 283 983 325 HOH HOH H . K 9 HOH 284 984 326 HOH HOH H . K 9 HOH 285 985 328 HOH HOH H . K 9 HOH 286 986 329 HOH HOH H . K 9 HOH 287 987 330 HOH HOH H . K 9 HOH 288 988 331 HOH HOH H . K 9 HOH 289 989 334 HOH HOH H . K 9 HOH 290 990 336 HOH HOH H . K 9 HOH 291 991 337 HOH HOH H . K 9 HOH 292 992 338 HOH HOH H . K 9 HOH 293 993 340 HOH HOH H . K 9 HOH 294 994 341 HOH HOH H . K 9 HOH 295 995 342 HOH HOH H . K 9 HOH 296 996 343 HOH HOH H . K 9 HOH 297 997 344 HOH HOH H . K 9 HOH 298 998 345 HOH HOH H . K 9 HOH 299 999 347 HOH HOH H . K 9 HOH 300 1000 348 HOH HOH H . K 9 HOH 301 1001 349 HOH HOH H . K 9 HOH 302 1002 350 HOH HOH H . K 9 HOH 303 1003 351 HOH HOH H . K 9 HOH 304 1004 352 HOH HOH H . K 9 HOH 305 1005 353 HOH HOH H . K 9 HOH 306 1006 354 HOH HOH H . K 9 HOH 307 1007 356 HOH HOH H . K 9 HOH 308 1008 357 HOH HOH H . K 9 HOH 309 1009 358 HOH HOH H . K 9 HOH 310 1010 359 HOH HOH H . K 9 HOH 311 1011 360 HOH HOH H . K 9 HOH 312 1012 361 HOH HOH H . K 9 HOH 313 1013 362 HOH HOH H . K 9 HOH 314 1014 363 HOH HOH H . K 9 HOH 315 1015 365 HOH HOH H . K 9 HOH 316 1016 366 HOH HOH H . K 9 HOH 317 1017 368 HOH HOH H . K 9 HOH 318 1018 369 HOH HOH H . K 9 HOH 319 1019 370 HOH HOH H . K 9 HOH 320 1020 371 HOH HOH H . K 9 HOH 321 1021 372 HOH HOH H . K 9 HOH 322 1022 373 HOH HOH H . K 9 HOH 323 1023 374 HOH HOH H . K 9 HOH 324 1024 375 HOH HOH H . K 9 HOH 325 1025 376 HOH HOH H . K 9 HOH 326 1026 377 HOH HOH H . K 9 HOH 327 1027 379 HOH HOH H . K 9 HOH 328 1028 380 HOH HOH H . K 9 HOH 329 1029 381 HOH HOH H . K 9 HOH 330 1030 382 HOH HOH H . K 9 HOH 331 1031 383 HOH HOH H . K 9 HOH 332 1032 384 HOH HOH H . K 9 HOH 333 1033 385 HOH HOH H . K 9 HOH 334 1034 386 HOH HOH H . K 9 HOH 335 1035 387 HOH HOH H . K 9 HOH 336 1036 388 HOH HOH H . K 9 HOH 337 1037 389 HOH HOH H . K 9 HOH 338 1038 390 HOH HOH H . K 9 HOH 339 1039 391 HOH HOH H . K 9 HOH 340 1040 392 HOH HOH H . K 9 HOH 341 1041 393 HOH HOH H . K 9 HOH 342 1042 394 HOH HOH H . K 9 HOH 343 1043 396 HOH HOH H . K 9 HOH 344 1044 397 HOH HOH H . K 9 HOH 345 1045 399 HOH HOH H . K 9 HOH 346 1046 400 HOH HOH H . K 9 HOH 347 1047 401 HOH HOH H . K 9 HOH 348 1048 402 HOH HOH H . K 9 HOH 349 1049 403 HOH HOH H . K 9 HOH 350 1050 404 HOH HOH H . K 9 HOH 351 1051 405 HOH HOH H . K 9 HOH 352 1052 406 HOH HOH H . K 9 HOH 353 1053 407 HOH HOH H . K 9 HOH 354 1054 408 HOH HOH H . K 9 HOH 355 1055 409 HOH HOH H . K 9 HOH 356 1056 410 HOH HOH H . K 9 HOH 357 1057 412 HOH HOH H . K 9 HOH 358 1058 413 HOH HOH H . K 9 HOH 359 1059 415 HOH HOH H . K 9 HOH 360 1060 416 HOH HOH H . K 9 HOH 361 1061 417 HOH HOH H . K 9 HOH 362 1062 419 HOH HOH H . K 9 HOH 363 1063 420 HOH HOH H . K 9 HOH 364 1064 421 HOH HOH H . K 9 HOH 365 1065 422 HOH HOH H . K 9 HOH 366 1066 424 HOH HOH H . K 9 HOH 367 1067 425 HOH HOH H . K 9 HOH 368 1068 426 HOH HOH H . K 9 HOH 369 1069 427 HOH HOH H . K 9 HOH 370 1070 428 HOH HOH H . K 9 HOH 371 1071 429 HOH HOH H . K 9 HOH 372 1072 430 HOH HOH H . K 9 HOH 373 1073 431 HOH HOH H . K 9 HOH 374 1074 432 HOH HOH H . K 9 HOH 375 1075 433 HOH HOH H . K 9 HOH 376 1076 435 HOH HOH H . K 9 HOH 377 1077 436 HOH HOH H . K 9 HOH 378 1078 438 HOH HOH H . K 9 HOH 379 1079 439 HOH HOH H . K 9 HOH 380 1080 440 HOH HOH H . K 9 HOH 381 1081 448 HOH HOH H . K 9 HOH 382 1082 441 HOH HOH H . L 9 HOH 1 101 110 HOH HOH I . L 9 HOH 2 102 126 HOH HOH I . L 9 HOH 3 103 138 HOH HOH I . L 9 HOH 4 104 196 HOH HOH I . L 9 HOH 5 105 208 HOH HOH I . L 9 HOH 6 106 447 HOH HOH I . #