data_1D3P # _entry.id 1D3P # _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 1D3P RCSB RCSB009764 WWPDB D_1000009764 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1D3D ;CRYSTAL STRUCTURE OF HUMAN APLHA-THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 4 ; unspecified PDB 1D3Q ;CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 2 ; unspecified PDB 1D3T ;CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 1 ; unspecified PDB 1D4P ;CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH 5-AMIDINOINDOLE-4- BENZYLPIPERIDINE INHIBITOR ; unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1D3P _pdbx_database_status.recvd_initial_deposition_date 1999-09-30 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.SG_entry . _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # _audit_author.name 'Chirgadze, N.Y.' _audit_author.pdbx_ordinal 1 # _citation.id primary _citation.title ;The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors. ; _citation.journal_abbrev 'Protein Sci.' _citation.journal_volume 9 _citation.page_first 29 _citation.page_last 36 _citation.year 2000 _citation.journal_id_ASTM PRCIEI _citation.country US _citation.journal_id_ISSN 0961-8368 _citation.journal_id_CSD 0795 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 10739244 _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Chirgadze, N.Y.' 1 primary 'Sall, D.J.' 2 primary 'Briggs, S.L.' 3 primary 'Clawson, D.K.' 4 primary 'Zhang, M.' 5 primary 'Smith, G.F.' 6 primary 'Schevitz, R.W.' 7 # _cell.entry_id 1D3P _cell.length_a 71.370 _cell.length_b 72.010 _cell.length_c 73.440 _cell.angle_alpha 90.00 _cell.angle_beta 100.36 _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 1D3P _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man ALPHA-THROMBIN 4096.534 1 3.4.21.5 ? 'LIGHT CHAIN' ? 2 polymer man ALPHA-THROMBIN 29780.219 1 3.4.21.5 ? 'HEAVY CHAIN' ? 3 polymer nat HIRUGEN 1548.580 1 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 5 non-polymer syn 'SODIUM ION' 22.990 2 ? ? ? ? 6 non-polymer syn '3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHEN-6-OL' 543.719 1 ? ? ? ? 7 water nat water 18.015 113 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR A ? 2 'polypeptide(L)' no no ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; B ? 3 'polypeptide(L)' no yes 'GDFEEIPEE(TYS)LQ' GDFEEIPEEYLQ H ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 THR n 1 2 PHE n 1 3 GLY n 1 4 SER n 1 5 GLY n 1 6 GLU n 1 7 ALA n 1 8 ASP n 1 9 CYS n 1 10 GLY n 1 11 LEU n 1 12 ARG n 1 13 PRO n 1 14 LEU n 1 15 PHE n 1 16 GLU n 1 17 LYS n 1 18 LYS n 1 19 SER n 1 20 LEU n 1 21 GLU n 1 22 ASP n 1 23 LYS n 1 24 THR n 1 25 GLU n 1 26 ARG n 1 27 GLU n 1 28 LEU n 1 29 LEU n 1 30 GLU n 1 31 SER n 1 32 TYR n 1 33 ILE n 1 34 ASP n 1 35 GLY n 1 36 ARG n 2 1 ILE n 2 2 VAL n 2 3 GLU n 2 4 GLY n 2 5 SER n 2 6 ASP n 2 7 ALA n 2 8 GLU n 2 9 ILE n 2 10 GLY n 2 11 MET n 2 12 SER n 2 13 PRO n 2 14 TRP n 2 15 GLN n 2 16 VAL n 2 17 MET n 2 18 LEU n 2 19 PHE n 2 20 ARG n 2 21 LYS n 2 22 SER n 2 23 PRO n 2 24 GLN n 2 25 GLU n 2 26 LEU n 2 27 LEU n 2 28 CYS n 2 29 GLY n 2 30 ALA n 2 31 SER n 2 32 LEU n 2 33 ILE n 2 34 SER n 2 35 ASP n 2 36 ARG n 2 37 TRP n 2 38 VAL n 2 39 LEU n 2 40 THR n 2 41 ALA n 2 42 ALA n 2 43 HIS n 2 44 CYS n 2 45 LEU n 2 46 LEU n 2 47 TYR n 2 48 PRO n 2 49 PRO n 2 50 TRP n 2 51 ASP n 2 52 LYS n 2 53 ASN n 2 54 PHE n 2 55 THR n 2 56 GLU n 2 57 ASN n 2 58 ASP n 2 59 LEU n 2 60 LEU n 2 61 VAL n 2 62 ARG n 2 63 ILE n 2 64 GLY n 2 65 LYS n 2 66 HIS n 2 67 SER n 2 68 ARG n 2 69 THR n 2 70 ARG n 2 71 TYR n 2 72 GLU n 2 73 ARG n 2 74 ASN n 2 75 ILE n 2 76 GLU n 2 77 LYS n 2 78 ILE n 2 79 SER n 2 80 MET n 2 81 LEU n 2 82 GLU n 2 83 LYS n 2 84 ILE n 2 85 TYR n 2 86 ILE n 2 87 HIS n 2 88 PRO n 2 89 ARG n 2 90 TYR n 2 91 ASN n 2 92 TRP n 2 93 ARG n 2 94 GLU n 2 95 ASN n 2 96 LEU n 2 97 ASP n 2 98 ARG n 2 99 ASP n 2 100 ILE n 2 101 ALA n 2 102 LEU n 2 103 MET n 2 104 LYS n 2 105 LEU n 2 106 LYS n 2 107 LYS n 2 108 PRO n 2 109 VAL n 2 110 ALA n 2 111 PHE n 2 112 SER n 2 113 ASP n 2 114 TYR n 2 115 ILE n 2 116 HIS n 2 117 PRO n 2 118 VAL n 2 119 CYS n 2 120 LEU n 2 121 PRO n 2 122 ASP n 2 123 ARG n 2 124 GLU n 2 125 THR n 2 126 ALA n 2 127 ALA n 2 128 SER n 2 129 LEU n 2 130 LEU n 2 131 GLN n 2 132 ALA n 2 133 GLY n 2 134 TYR n 2 135 LYS n 2 136 GLY n 2 137 ARG n 2 138 VAL n 2 139 THR n 2 140 GLY n 2 141 TRP n 2 142 GLY n 2 143 ASN n 2 144 LEU n 2 145 LYS n 2 146 GLU n 2 147 THR n 2 148 TRP n 2 149 THR n 2 150 ALA n 2 151 ASN n 2 152 VAL n 2 153 GLY n 2 154 LYS n 2 155 GLY n 2 156 GLN n 2 157 PRO n 2 158 SER n 2 159 VAL n 2 160 LEU n 2 161 GLN n 2 162 VAL n 2 163 VAL n 2 164 ASN n 2 165 LEU n 2 166 PRO n 2 167 ILE n 2 168 VAL n 2 169 GLU n 2 170 ARG n 2 171 PRO n 2 172 VAL n 2 173 CYS n 2 174 LYS n 2 175 ASP n 2 176 SER n 2 177 THR n 2 178 ARG n 2 179 ILE n 2 180 ARG n 2 181 ILE n 2 182 THR n 2 183 ASP n 2 184 ASN n 2 185 MET n 2 186 PHE n 2 187 CYS n 2 188 ALA n 2 189 GLY n 2 190 TYR n 2 191 LYS n 2 192 PRO n 2 193 ASP n 2 194 GLU n 2 195 GLY n 2 196 LYS n 2 197 ARG n 2 198 GLY n 2 199 ASP n 2 200 ALA n 2 201 CYS n 2 202 GLU n 2 203 GLY n 2 204 ASP n 2 205 SER n 2 206 GLY n 2 207 GLY n 2 208 PRO n 2 209 PHE n 2 210 VAL n 2 211 MET n 2 212 LYS n 2 213 SER n 2 214 PRO n 2 215 PHE n 2 216 ASN n 2 217 ASN n 2 218 ARG n 2 219 TRP n 2 220 TYR n 2 221 GLN n 2 222 MET n 2 223 GLY n 2 224 ILE n 2 225 VAL n 2 226 SER n 2 227 TRP n 2 228 GLY n 2 229 GLU n 2 230 GLY n 2 231 CYS n 2 232 ASP n 2 233 ARG n 2 234 ASP n 2 235 GLY n 2 236 LYS n 2 237 TYR n 2 238 GLY n 2 239 PHE n 2 240 TYR n 2 241 THR n 2 242 HIS n 2 243 VAL n 2 244 PHE n 2 245 ARG n 2 246 LEU n 2 247 LYS n 2 248 LYS n 2 249 TRP n 2 250 ILE n 2 251 GLN n 2 252 LYS n 2 253 VAL n 2 254 ILE n 2 255 ASP n 2 256 GLN n 2 257 PHE n 2 258 GLY n 2 259 GLU n 3 1 GLY n 3 2 ASP n 3 3 PHE n 3 4 GLU n 3 5 GLU n 3 6 ILE n 3 7 PRO n 3 8 GLU n 3 9 GLU n 3 10 TYS n 3 11 LEU n 3 12 GLN n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? ? ? human Homo ? ? ? BLOOD ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample ? ? ? human Homo ? ? ? BLOOD ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # _entity_src_nat.entity_id 3 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name 'medicinal leech' _entity_src_nat.pdbx_organism_scientific 'Hirudo medicinalis' _entity_src_nat.pdbx_ncbi_taxonomy_id 6421 _entity_src_nat.genus Hirudo _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 ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_align_begin _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_db_isoform 1 UNP THRB_HUMAN P00734 1 328 ? ? 2 UNP THRB_HUMAN P00734 2 364 ? ? 3 UNP ITHA_HIRME P28501 3 54 ? ? # 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 1D3P A 1 ? 36 ? P00734 328 ? 363 ? 1 36 2 2 1D3P B 1 ? 259 ? P00734 364 ? 622 ? 37 295 3 3 1D3P H 1 ? 12 ? P28501 54 ? 65 ? 300 311 # 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 BT3 non-polymer . '3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHEN-6-OL' ? 'C32 H37 N3 O3 S' 543.719 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NA non-polymer . 'SODIUM ION' ? 'Na 1' 22.990 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 TYS 'L-peptide linking' n O-SULFO-L-TYROSINE ? 'C9 H11 N O6 S' 261.252 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 1D3P _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.8 _exptl_crystal.density_percent_sol 56 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 277 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.6 _exptl_crystal_grow.pdbx_details '30% PEG3400; 100mM sodium citrate; 200 mM ammonium acetate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 295.0 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'RIGAKU RAXIS IIC' _diffrn_detector.pdbx_collection_date 1996-02-26 _diffrn_detector.details 'YALE/MSC MIRRORS' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.54 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU200' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength 1.54 _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 1D3P _reflns.observed_criterion_sigma_I 0.000 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30.000 _reflns.d_resolution_high 2.100 _reflns.number_obs ? _reflns.number_all ? _reflns.percent_possible_obs 98.0 _reflns.pdbx_Rmerge_I_obs 0.07 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 20.2000 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 3.000 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.10 _reflns_shell.d_res_low 2.14 _reflns_shell.percent_possible_all 97.0 _reflns_shell.Rmerge_I_obs 0.289 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 3.2 _reflns_shell.pdbx_redundancy 3.00 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 1D3P _refine.ls_number_reflns_obs 18676 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 2.000 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 20.00 _refine.ls_d_res_high 2.10 _refine.ls_percent_reflns_obs 87.2 _refine.ls_R_factor_obs 0.179 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.179 _refine.ls_R_factor_R_free 0.214 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.2 _refine.ls_number_reflns_R_free 895 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_phase_error ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2364 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 55 _refine_hist.number_atoms_solvent 113 _refine_hist.number_atoms_total 2532 _refine_hist.d_res_high 2.10 _refine_hist.d_res_low 20.00 # 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 x_bond_d 0.010 ? ? ? 'X-RAY DIFFRACTION' ? x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg 1.45 ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d 26.85 ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d 1.00 ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 8 _refine_ls_shell.d_res_high 2.1 _refine_ls_shell.d_res_low 2.2 _refine_ls_shell.number_reflns_R_work 1805 _refine_ls_shell.R_factor_R_work 0.97 _refine_ls_shell.percent_reflns_obs 81.1 _refine_ls_shell.R_factor_R_free 0.229 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free 4.3 _refine_ls_shell.number_reflns_R_free ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.R_factor_all ? # _struct.entry_id 1D3P _struct.title 'CRYSTAL STRUCTURE OF HUMAN APLHA-THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 3' _struct.pdbx_descriptor 'ALPHA-THROMBIN (E.C.3.4.21.5)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1D3P _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR' _struct_keywords.text 'THROMBIN, BENZO[B]THIOPHENE, BLOOD CLOTTING, 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 5 ? G N N 6 ? H N N 7 ? I N N 7 ? # _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 15 ? SER A 19 ? PHE A 15 SER A 19 5 ? 5 HELX_P HELX_P2 2 THR A 24 ? TYR A 32 ? THR A 24 TYR A 32 1 ? 9 HELX_P HELX_P3 3 ALA B 41 ? CYS B 44 ? ALA B 77 CYS B 80 5 ? 4 HELX_P HELX_P4 4 PRO B 48 ? ASP B 51 ? PRO B 84 ASP B 87 5 ? 4 HELX_P HELX_P5 5 THR B 55 ? ASN B 57 ? THR B 91 ASN B 93 5 ? 3 HELX_P HELX_P6 6 ASP B 122 ? LEU B 130 ? ASP B 158 LEU B 166 1 ? 9 HELX_P HELX_P7 7 GLU B 169 ? ASP B 175 ? GLU B 205 ASP B 211 1 ? 7 HELX_P HELX_P8 8 LEU B 246 ? PHE B 257 ? LEU B 282 PHE B 293 1 ? 12 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 9 SG ? ? ? 1_555 B CYS 119 SG ? ? A CYS 9 B CYS 155 1_555 ? ? ? ? ? ? ? 2.023 ? disulf2 disulf ? ? B CYS 28 SG ? ? ? 1_555 B CYS 44 SG ? ? B CYS 64 B CYS 80 1_555 ? ? ? ? ? ? ? 2.035 ? disulf3 disulf ? ? B CYS 173 SG ? ? ? 1_555 B CYS 187 SG ? ? B CYS 209 B CYS 223 1_555 ? ? ? ? ? ? ? 2.020 ? disulf4 disulf ? ? B CYS 201 SG ? ? ? 1_555 B CYS 231 SG ? ? B CYS 237 B CYS 267 1_555 ? ? ? ? ? ? ? 2.030 ? covale1 covale ? ? B ASN 53 ND2 ? ? ? 1_555 D NAG . C1 ? ? B ASN 89 B NAG 500 1_555 ? ? ? ? ? ? ? 1.459 ? metalc1 metalc ? ? E NA . NA ? ? ? 1_555 B LYS 174 O ? ? B NA 398 B LYS 210 1_555 ? ? ? ? ? ? ? 2.542 ? metalc2 metalc ? ? E NA . NA ? ? ? 1_555 B THR 177 O ? ? B NA 398 B THR 213 1_555 ? ? ? ? ? ? ? 2.344 ? metalc3 metalc ? ? E NA . NA ? ? ? 1_555 I HOH . O ? ? B NA 398 B HOH 550 1_555 ? ? ? ? ? ? ? 2.303 ? metalc4 metalc ? ? E NA . NA ? ? ? 1_555 I HOH . O ? ? B NA 398 B HOH 547 1_555 ? ? ? ? ? ? ? 2.550 ? metalc5 metalc ? ? F NA . NA ? ? ? 1_555 I HOH . O ? ? B NA 399 B HOH 526 1_555 ? ? ? ? ? ? ? 2.561 ? metalc6 metalc ? ? F NA . NA ? ? ? 1_555 B ARG 233 O ? ? B NA 399 B ARG 269 1_555 ? ? ? ? ? ? ? 2.518 ? metalc7 metalc ? ? F NA . NA ? ? ? 1_555 I HOH . O ? ? B NA 399 B HOH 513 1_555 ? ? ? ? ? ? ? 2.555 ? metalc8 metalc ? ? F NA . NA ? ? ? 1_555 B LYS 236 O ? ? B NA 399 B LYS 272 1_555 ? ? ? ? ? ? ? 2.499 ? covale2 covale ? ? C GLU 9 C ? ? ? 1_555 C TYS 10 N ? ? H GLU 308 H TYS 309 1_555 ? ? ? ? ? ? ? 1.330 ? covale3 covale ? ? C TYS 10 C ? ? ? 1_555 C LEU 11 N ? ? H TYS 309 H LEU 310 1_555 ? ? ? ? ? ? ? 1.326 ? metalc9 metalc ? ? E NA . NA ? ? ? 1_555 B PHE 215 O ? ? B NA 398 B PHE 251 4_446 ? ? ? ? ? ? ? 2.420 ? metalc10 metalc ? ? F NA . NA ? ? ? 1_555 I HOH . O ? ? B NA 399 B HOH 552 1_555 ? ? ? ? ? ? ? 2.616 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id SER _struct_mon_prot_cis.label_seq_id 22 _struct_mon_prot_cis.label_asym_id B _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id SER _struct_mon_prot_cis.auth_seq_id 58 _struct_mon_prot_cis.auth_asym_id B _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 23 _struct_mon_prot_cis.pdbx_label_asym_id_2 B _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 59 _struct_mon_prot_cis.pdbx_auth_asym_id_2 B _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -0.14 # 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 B 41 ASP B 42 A 2 GLN B 161 ? PRO B 166 ? GLN B 197 PRO B 202 A 3 LYS B 135 ? GLY B 140 ? LYS B 171 GLY B 176 A 4 PRO B 208 ? LYS B 212 ? PRO B 244 LYS B 248 A 5 TRP B 219 ? TRP B 227 ? TRP B 255 TRP B 263 A 6 GLY B 238 ? HIS B 242 ? GLY B 274 HIS B 278 A 7 MET B 185 ? ALA B 188 ? MET B 221 ALA B 224 B 1 GLN B 15 ? ARG B 20 ? GLN B 51 ARG B 56 B 2 GLU B 25 ? LEU B 32 ? GLU B 61 LEU B 68 B 3 GLN B 15 ? ARG B 20 ? GLN B 51 ARG B 56 B 4 LEU B 59 ? ILE B 63 ? LEU B 95 ILE B 99 B 5 LYS B 77 ? ILE B 86 ? LYS B 113 ILE B 122 B 6 ALA B 101 ? LEU B 105 ? ALA B 137 LEU B 141 B 7 TRP B 37 ? THR B 40 ? TRP B 73 THR B 76 C 1 LEU B 46 ? TYR B 47 ? LEU B 82 TYR B 83 C 2 LYS B 52 ? ASN B 53 ? LYS B 88 ASN B 89 # 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 O SER B 5 ? O SER B 41 N VAL B 162 ? N VAL B 198 A 2 3 O LEU B 129 ? O LEU B 165 N GLY B 136 ? N GLY B 172 A 3 4 N THR B 139 ? N THR B 175 O PRO B 208 ? O PRO B 244 A 4 5 O MET B 211 ? O MET B 247 N TYR B 220 ? N TYR B 256 A 5 6 O TRP B 227 ? O TRP B 263 N PHE B 239 ? N PHE B 275 A 6 7 N TYR B 240 ? N TYR B 276 O PHE B 186 ? O PHE B 222 B 1 2 N ARG B 20 ? N ARG B 56 O GLU B 25 ? O GLU B 61 B 2 3 O ALA B 30 ? O ALA B 66 N VAL B 16 ? N VAL B 52 B 3 4 O PHE B 19 ? O PHE B 55 N LEU B 60 ? N LEU B 96 B 4 5 N ILE B 63 ? N ILE B 99 O LYS B 77 ? O LYS B 113 B 5 6 N TYR B 85 ? N TYR B 121 O LEU B 102 ? O LEU B 138 B 6 7 O MET B 103 ? O MET B 139 N VAL B 2 ? N VAL B 38 C 1 2 N TYR B 47 ? N TYR B 83 O LYS B 52 ? O LYS B 88 # 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 ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG B 500' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NA B 398' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NA B 399' AC4 Software ? ? ? ? 14 'BINDING SITE FOR RESIDUE BT3 B 400' AC5 Software ? ? ? ? 16 'BINDING SITE FOR CHAIN H OF HIRUGEN' # 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 1 ASN B 53 ? ASN B 89 . ? 1_555 ? 2 AC2 5 LYS B 174 ? LYS B 210 . ? 1_555 ? 3 AC2 5 THR B 177 ? THR B 213 . ? 1_555 ? 4 AC2 5 PHE B 215 ? PHE B 251 . ? 4_446 ? 5 AC2 5 HOH I . ? HOH B 547 . ? 1_555 ? 6 AC2 5 HOH I . ? HOH B 550 . ? 1_555 ? 7 AC3 5 ARG B 233 ? ARG B 269 . ? 1_555 ? 8 AC3 5 LYS B 236 ? LYS B 272 . ? 1_555 ? 9 AC3 5 HOH I . ? HOH B 513 . ? 1_555 ? 10 AC3 5 HOH I . ? HOH B 526 . ? 1_555 ? 11 AC3 5 HOH I . ? HOH B 552 . ? 1_555 ? 12 AC4 14 HIS B 43 ? HIS B 79 . ? 1_555 ? 13 AC4 14 TYR B 47 ? TYR B 83 . ? 1_555 ? 14 AC4 14 TRP B 50 ? TRP B 86 . ? 1_555 ? 15 AC4 14 GLU B 94 ? GLU B 130 . ? 1_555 ? 16 AC4 14 ASP B 199 ? ASP B 235 . ? 1_555 ? 17 AC4 14 ALA B 200 ? ALA B 236 . ? 1_555 ? 18 AC4 14 GLU B 202 ? GLU B 238 . ? 1_555 ? 19 AC4 14 VAL B 225 ? VAL B 261 . ? 1_555 ? 20 AC4 14 SER B 226 ? SER B 262 . ? 1_555 ? 21 AC4 14 TRP B 227 ? TRP B 263 . ? 1_555 ? 22 AC4 14 GLY B 228 ? GLY B 264 . ? 1_555 ? 23 AC4 14 GLY B 230 ? GLY B 266 . ? 1_555 ? 24 AC4 14 CYS B 231 ? CYS B 267 . ? 1_555 ? 25 AC4 14 GLY B 238 ? GLY B 274 . ? 1_555 ? 26 AC5 16 PHE B 19 ? PHE B 55 . ? 1_555 ? 27 AC5 16 GLN B 24 ? GLN B 60 . ? 1_555 ? 28 AC5 16 LEU B 26 ? LEU B 62 . ? 1_555 ? 29 AC5 16 LEU B 60 ? LEU B 96 . ? 1_555 ? 30 AC5 16 ARG B 68 ? ARG B 104 . ? 1_555 ? 31 AC5 16 THR B 69 ? THR B 105 . ? 1_555 ? 32 AC5 16 ARG B 70 ? ARG B 106 . ? 1_555 ? 33 AC5 16 TYR B 71 ? TYR B 107 . ? 1_555 ? 34 AC5 16 GLU B 76 ? GLU B 112 . ? 1_555 ? 35 AC5 16 LYS B 77 ? LYS B 113 . ? 1_555 ? 36 AC5 16 ILE B 78 ? ILE B 114 . ? 1_555 ? 37 AC5 16 MET B 80 ? MET B 116 . ? 1_555 ? 38 AC5 16 SER B 158 ? SER B 194 . ? 2_455 ? 39 AC5 16 HOH I . ? HOH B 537 . ? 1_555 ? 40 AC5 16 HOH I . ? HOH B 551 . ? 1_555 ? 41 AC5 16 HOH I . ? HOH B 579 . ? 1_555 ? # _database_PDB_matrix.entry_id 1D3P _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 1D3P _atom_sites.fract_transf_matrix[1][1] 0.014006 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.002571 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013889 _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] 0.013852 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N 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 . GLU A 1 6 ? -19.548 -3.628 19.852 1.00 55.20 ? 6 GLU A N 1 ATOM 2 C CA . GLU A 1 6 ? -20.387 -2.795 18.934 1.00 53.70 ? 6 GLU A CA 1 ATOM 3 C C . GLU A 1 6 ? -21.356 -1.911 19.713 1.00 51.18 ? 6 GLU A C 1 ATOM 4 O O . GLU A 1 6 ? -21.939 -2.333 20.716 1.00 50.99 ? 6 GLU A O 1 ATOM 5 C CB . GLU A 1 6 ? -21.166 -3.694 17.970 1.00 56.49 ? 6 GLU A CB 1 ATOM 6 C CG . GLU A 1 6 ? -20.315 -4.285 16.850 1.00 58.38 ? 6 GLU A CG 1 ATOM 7 C CD . GLU A 1 6 ? -20.111 -3.314 15.694 1.00 60.62 ? 6 GLU A CD 1 ATOM 8 O OE1 . GLU A 1 6 ? -20.564 -2.153 15.814 1.00 61.35 ? 6 GLU A OE1 1 ATOM 9 O OE2 . GLU A 1 6 ? -19.499 -3.712 14.668 1.00 59.29 ? 6 GLU A OE2 1 ATOM 10 N N . ALA A 1 7 ? -21.526 -0.682 19.231 1.00 48.24 ? 7 ALA A N 1 ATOM 11 C CA . ALA A 1 7 ? -22.407 0.300 19.862 1.00 43.63 ? 7 ALA A CA 1 ATOM 12 C C . ALA A 1 7 ? -23.811 -0.220 20.155 1.00 39.42 ? 7 ALA A C 1 ATOM 13 O O . ALA A 1 7 ? -24.299 -0.087 21.278 1.00 39.49 ? 7 ALA A O 1 ATOM 14 C CB . ALA A 1 7 ? -22.487 1.552 19.001 1.00 43.71 ? 7 ALA A CB 1 ATOM 15 N N . ASP A 1 8 ? -24.479 -0.791 19.159 1.00 34.52 ? 8 ASP A N 1 ATOM 16 C CA . ASP A 1 8 ? -25.820 -1.307 19.415 1.00 33.45 ? 8 ASP A CA 1 ATOM 17 C C . ASP A 1 8 ? -25.855 -2.843 19.388 1.00 29.74 ? 8 ASP A C 1 ATOM 18 O O . ASP A 1 8 ? -26.805 -3.454 18.884 1.00 25.77 ? 8 ASP A O 1 ATOM 19 C CB . ASP A 1 8 ? -26.827 -0.720 18.418 1.00 35.31 ? 8 ASP A CB 1 ATOM 20 C CG . ASP A 1 8 ? -26.537 -1.132 17.004 1.00 40.82 ? 8 ASP A CG 1 ATOM 21 O OD1 . ASP A 1 8 ? -25.391 -1.554 16.754 1.00 45.04 ? 8 ASP A OD1 1 ATOM 22 O OD2 . ASP A 1 8 ? -27.447 -1.035 16.148 1.00 43.40 ? 8 ASP A OD2 1 ATOM 23 N N . CYS A 1 9 ? -24.808 -3.463 19.939 1.00 23.86 ? 9 CYS A N 1 ATOM 24 C CA . CYS A 1 9 ? -24.751 -4.914 19.992 1.00 20.09 ? 9 CYS A CA 1 ATOM 25 C C . CYS A 1 9 ? -25.878 -5.411 20.878 1.00 17.86 ? 9 CYS A C 1 ATOM 26 O O . CYS A 1 9 ? -26.305 -4.719 21.800 1.00 15.38 ? 9 CYS A O 1 ATOM 27 C CB . CYS A 1 9 ? -23.409 -5.401 20.578 1.00 18.56 ? 9 CYS A CB 1 ATOM 28 S SG . CYS A 1 9 ? -23.095 -4.977 22.325 1.00 19.38 ? 9 CYS A SG 1 ATOM 29 N N . GLY A 1 10 ? -26.356 -6.620 20.591 1.00 17.73 ? 10 GLY A N 1 ATOM 30 C CA . GLY A 1 10 ? -27.374 -7.225 21.422 1.00 11.71 ? 10 GLY A CA 1 ATOM 31 C C . GLY A 1 10 ? -28.772 -6.649 21.381 1.00 15.06 ? 10 GLY A C 1 ATOM 32 O O . GLY A 1 10 ? -29.596 -7.041 22.199 1.00 15.70 ? 10 GLY A O 1 ATOM 33 N N . LEU A 1 11 ? -29.045 -5.723 20.463 1.00 16.26 ? 11 LEU A N 1 ATOM 34 C CA . LEU A 1 11 ? -30.386 -5.144 20.351 1.00 18.11 ? 11 LEU A CA 1 ATOM 35 C C . LEU A 1 11 ? -30.902 -5.584 18.990 1.00 18.01 ? 11 LEU A C 1 ATOM 36 O O . LEU A 1 11 ? -30.397 -5.141 17.968 1.00 18.49 ? 11 LEU A O 1 ATOM 37 C CB . LEU A 1 11 ? -30.330 -3.610 20.436 1.00 20.17 ? 11 LEU A CB 1 ATOM 38 C CG . LEU A 1 11 ? -29.872 -2.977 21.759 1.00 21.61 ? 11 LEU A CG 1 ATOM 39 C CD1 . LEU A 1 11 ? -29.717 -1.463 21.564 1.00 23.59 ? 11 LEU A CD1 1 ATOM 40 C CD2 . LEU A 1 11 ? -30.876 -3.259 22.871 1.00 19.20 ? 11 LEU A CD2 1 ATOM 41 N N . ARG A 1 12 ? -31.890 -6.475 18.974 1.00 18.81 ? 12 ARG A N 1 ATOM 42 C CA . ARG A 1 12 ? -32.426 -7.004 17.707 1.00 18.37 ? 12 ARG A CA 1 ATOM 43 C C . ARG A 1 12 ? -33.381 -6.072 16.939 1.00 18.93 ? 12 ARG A C 1 ATOM 44 O O . ARG A 1 12 ? -34.361 -5.570 17.495 1.00 18.48 ? 12 ARG A O 1 ATOM 45 C CB . ARG A 1 12 ? -33.139 -8.344 17.955 1.00 17.06 ? 12 ARG A CB 1 ATOM 46 C CG . ARG A 1 12 ? -32.254 -9.431 18.587 1.00 16.00 ? 12 ARG A CG 1 ATOM 47 C CD . ARG A 1 12 ? -33.106 -10.577 19.085 1.00 14.91 ? 12 ARG A CD 1 ATOM 48 N NE . ARG A 1 12 ? -33.994 -10.183 20.177 1.00 15.02 ? 12 ARG A NE 1 ATOM 49 C CZ . ARG A 1 12 ? -34.872 -10.998 20.755 1.00 15.82 ? 12 ARG A CZ 1 ATOM 50 N NH1 . ARG A 1 12 ? -34.987 -12.262 20.347 1.00 18.88 ? 12 ARG A NH1 1 ATOM 51 N NH2 . ARG A 1 12 ? -35.615 -10.563 21.757 1.00 12.89 ? 12 ARG A NH2 1 ATOM 52 N N . PRO A 1 13 ? -33.102 -5.844 15.645 1.00 18.38 ? 13 PRO A N 1 ATOM 53 C CA . PRO A 1 13 ? -33.934 -4.979 14.796 1.00 20.11 ? 13 PRO A CA 1 ATOM 54 C C . PRO A 1 13 ? -35.433 -5.275 14.886 1.00 21.72 ? 13 PRO A C 1 ATOM 55 O O . PRO A 1 13 ? -36.233 -4.353 15.044 1.00 21.40 ? 13 PRO A O 1 ATOM 56 C CB . PRO A 1 13 ? -33.381 -5.220 13.394 1.00 20.31 ? 13 PRO A CB 1 ATOM 57 C CG . PRO A 1 13 ? -31.931 -5.566 13.631 1.00 20.75 ? 13 PRO A CG 1 ATOM 58 C CD . PRO A 1 13 ? -31.929 -6.363 14.915 1.00 18.38 ? 13 PRO A CD 1 ATOM 59 N N . LEU A 1 14 ? -35.815 -6.554 14.828 1.00 19.93 ? 14 LEU A N 1 ATOM 60 C CA . LEU A 1 14 ? -37.232 -6.931 14.875 1.00 16.95 ? 14 LEU A CA 1 ATOM 61 C C . LEU A 1 14 ? -37.824 -7.110 16.258 1.00 17.71 ? 14 LEU A C 1 ATOM 62 O O . LEU A 1 14 ? -39.012 -7.435 16.386 1.00 20.53 ? 14 LEU A O 1 ATOM 63 C CB . LEU A 1 14 ? -37.473 -8.215 14.056 1.00 16.18 ? 14 LEU A CB 1 ATOM 64 C CG . LEU A 1 14 ? -37.077 -8.105 12.584 1.00 19.58 ? 14 LEU A CG 1 ATOM 65 C CD1 . LEU A 1 14 ? -37.312 -9.432 11.851 1.00 20.71 ? 14 LEU A CD1 1 ATOM 66 C CD2 . LEU A 1 14 ? -37.884 -6.993 11.941 1.00 21.22 ? 14 LEU A CD2 1 ATOM 67 N N . PHE A 1 15 ? -37.028 -6.919 17.304 1.00 17.81 ? 15 PHE A N 1 ATOM 68 C CA . PHE A 1 15 ? -37.608 -7.064 18.642 1.00 17.84 ? 15 PHE A CA 1 ATOM 69 C C . PHE A 1 15 ? -37.291 -5.871 19.559 1.00 21.30 ? 15 PHE A C 1 ATOM 70 O O . PHE A 1 15 ? -38.081 -4.950 19.720 1.00 21.99 ? 15 PHE A O 1 ATOM 71 C CB . PHE A 1 15 ? -37.066 -8.354 19.259 1.00 18.77 ? 15 PHE A CB 1 ATOM 72 C CG . PHE A 1 15 ? -37.670 -9.539 18.566 1.00 20.15 ? 15 PHE A CG 1 ATOM 73 C CD1 . PHE A 1 15 ? -36.971 -10.164 17.541 1.00 18.01 ? 15 PHE A CD1 1 ATOM 74 C CD2 . PHE A 1 15 ? -38.929 -9.988 18.931 1.00 16.23 ? 15 PHE A CD2 1 ATOM 75 C CE1 . PHE A 1 15 ? -37.539 -11.243 16.878 1.00 19.95 ? 15 PHE A CE1 1 ATOM 76 C CE2 . PHE A 1 15 ? -39.491 -11.071 18.261 1.00 19.59 ? 15 PHE A CE2 1 ATOM 77 C CZ . PHE A 1 15 ? -38.800 -11.702 17.234 1.00 15.45 ? 15 PHE A CZ 1 ATOM 78 N N . GLU A 1 16 ? -36.124 -5.826 20.197 1.00 20.79 ? 16 GLU A N 1 ATOM 79 C CA . GLU A 1 16 ? -35.808 -4.723 21.101 1.00 19.43 ? 16 GLU A CA 1 ATOM 80 C C . GLU A 1 16 ? -36.002 -3.339 20.456 1.00 22.15 ? 16 GLU A C 1 ATOM 81 O O . GLU A 1 16 ? -36.581 -2.436 21.070 1.00 19.95 ? 16 GLU A O 1 ATOM 82 C CB . GLU A 1 16 ? -34.367 -4.850 21.628 1.00 18.46 ? 16 GLU A CB 1 ATOM 83 C CG . GLU A 1 16 ? -34.233 -5.861 22.784 1.00 17.11 ? 16 GLU A CG 1 ATOM 84 C CD . GLU A 1 16 ? -34.250 -7.309 22.282 1.00 12.06 ? 16 GLU A CD 1 ATOM 85 O OE1 . GLU A 1 16 ? -34.543 -8.223 23.075 1.00 18.11 ? 16 GLU A OE1 1 ATOM 86 O OE2 . GLU A 1 16 ? -33.979 -7.524 21.092 1.00 14.88 ? 16 GLU A OE2 1 ATOM 87 N N . LYS A 1 17 ? -35.531 -3.181 19.225 1.00 22.36 ? 17 LYS A N 1 ATOM 88 C CA . LYS A 1 17 ? -35.637 -1.902 18.532 1.00 25.39 ? 17 LYS A CA 1 ATOM 89 C C . LYS A 1 17 ? -37.064 -1.461 18.229 1.00 25.43 ? 17 LYS A C 1 ATOM 90 O O . LYS A 1 17 ? -37.297 -0.289 17.988 1.00 24.98 ? 17 LYS A O 1 ATOM 91 C CB . LYS A 1 17 ? -34.835 -1.940 17.240 1.00 24.07 ? 17 LYS A CB 1 ATOM 92 C CG . LYS A 1 17 ? -33.474 -2.583 17.411 1.00 33.69 ? 17 LYS A CG 1 ATOM 93 C CD . LYS A 1 17 ? -32.339 -1.590 17.210 1.00 35.92 ? 17 LYS A CD 1 ATOM 94 C CE . LYS A 1 17 ? -31.237 -2.205 16.354 1.00 39.17 ? 17 LYS A CE 1 ATOM 95 N NZ . LYS A 1 17 ? -30.120 -1.254 16.088 1.00 43.84 ? 17 LYS A NZ 1 ATOM 96 N N . LYS A 1 18 ? -38.011 -2.397 18.257 1.00 24.77 ? 18 LYS A N 1 ATOM 97 C CA . LYS A 1 18 ? -39.417 -2.094 17.983 1.00 25.01 ? 18 LYS A CA 1 ATOM 98 C C . LYS A 1 18 ? -40.217 -2.227 19.257 1.00 24.00 ? 18 LYS A C 1 ATOM 99 O O . LYS A 1 18 ? -41.440 -2.032 19.271 1.00 25.44 ? 18 LYS A O 1 ATOM 100 C CB . LYS A 1 18 ? -39.994 -3.086 16.975 1.00 24.95 ? 18 LYS A CB 1 ATOM 101 C CG . LYS A 1 18 ? -39.678 -2.815 15.525 1.00 26.93 ? 18 LYS A CG 1 ATOM 102 C CD . LYS A 1 18 ? -40.439 -3.825 14.677 1.00 29.77 ? 18 LYS A CD 1 ATOM 103 C CE . LYS A 1 18 ? -40.497 -3.418 13.226 1.00 33.93 ? 18 LYS A CE 1 ATOM 104 N NZ . LYS A 1 18 ? -41.345 -4.376 12.457 1.00 39.19 ? 18 LYS A NZ 1 ATOM 105 N N . SER A 1 19 ? -39.519 -2.582 20.324 1.00 22.57 ? 19 SER A N 1 ATOM 106 C CA . SER A 1 19 ? -40.142 -2.799 21.617 1.00 23.60 ? 19 SER A CA 1 ATOM 107 C C . SER A 1 19 ? -41.142 -3.965 21.589 1.00 24.93 ? 19 SER A C 1 ATOM 108 O O . SER A 1 19 ? -42.210 -3.905 22.215 1.00 24.61 ? 19 SER A O 1 ATOM 109 C CB . SER A 1 19 ? -40.825 -1.529 22.112 1.00 24.65 ? 19 SER A CB 1 ATOM 110 O OG . SER A 1 19 ? -41.066 -1.642 23.500 1.00 26.63 ? 19 SER A OG 1 ATOM 111 N N . LEU A 1 20 ? -40.786 -5.018 20.850 1.00 22.92 ? 20 LEU A N 1 ATOM 112 C CA . LEU A 1 20 ? -41.604 -6.236 20.755 1.00 24.55 ? 20 LEU A CA 1 ATOM 113 C C . LEU A 1 20 ? -40.819 -7.366 21.451 1.00 24.40 ? 20 LEU A C 1 ATOM 114 O O . LEU A 1 20 ? -39.599 -7.432 21.342 1.00 23.65 ? 20 LEU A O 1 ATOM 115 C CB . LEU A 1 20 ? -41.842 -6.610 19.288 1.00 23.23 ? 20 LEU A CB 1 ATOM 116 C CG . LEU A 1 20 ? -42.813 -5.734 18.486 1.00 27.86 ? 20 LEU A CG 1 ATOM 117 C CD1 . LEU A 1 20 ? -43.019 -6.345 17.114 1.00 26.45 ? 20 LEU A CD1 1 ATOM 118 C CD2 . LEU A 1 20 ? -44.152 -5.600 19.232 1.00 26.14 ? 20 LEU A CD2 1 ATOM 119 N N . GLU A 1 21 ? -41.508 -8.242 22.163 1.00 23.66 ? 21 GLU A N 1 ATOM 120 C CA . GLU A 1 21 ? -40.846 -9.341 22.864 1.00 26.20 ? 21 GLU A CA 1 ATOM 121 C C . GLU A 1 21 ? -41.012 -10.637 22.097 1.00 23.94 ? 21 GLU A C 1 ATOM 122 O O . GLU A 1 21 ? -42.029 -10.817 21.422 1.00 21.26 ? 21 GLU A O 1 ATOM 123 C CB . GLU A 1 21 ? -41.459 -9.541 24.243 1.00 26.49 ? 21 GLU A CB 1 ATOM 124 C CG . GLU A 1 21 ? -41.313 -8.363 25.167 1.00 36.74 ? 21 GLU A CG 1 ATOM 125 C CD . GLU A 1 21 ? -41.813 -8.670 26.565 1.00 42.92 ? 21 GLU A CD 1 ATOM 126 O OE1 . GLU A 1 21 ? -42.549 -9.672 26.731 1.00 47.37 ? 21 GLU A OE1 1 ATOM 127 O OE2 . GLU A 1 21 ? -41.469 -7.915 27.500 1.00 46.98 ? 21 GLU A OE2 1 ATOM 128 N N . ASP A 1 22 ? -40.030 -11.540 22.177 1.00 22.97 ? 22 ASP A N 1 ATOM 129 C CA . ASP A 1 22 ? -40.198 -12.816 21.491 1.00 21.75 ? 22 ASP A CA 1 ATOM 130 C C . ASP A 1 22 ? -41.004 -13.765 22.374 1.00 20.16 ? 22 ASP A C 1 ATOM 131 O O . ASP A 1 22 ? -41.279 -13.478 23.540 1.00 18.10 ? 22 ASP A O 1 ATOM 132 C CB . ASP A 1 22 ? -38.855 -13.441 21.038 1.00 19.86 ? 22 ASP A CB 1 ATOM 133 C CG . ASP A 1 22 ? -37.962 -13.868 22.187 1.00 18.30 ? 22 ASP A CG 1 ATOM 134 O OD1 . ASP A 1 22 ? -36.751 -13.581 22.104 1.00 17.72 ? 22 ASP A OD1 1 ATOM 135 O OD2 . ASP A 1 22 ? -38.445 -14.489 23.151 1.00 20.70 ? 22 ASP A OD2 1 ATOM 136 N N . LYS A 1 23 ? -41.396 -14.887 21.798 1.00 23.42 ? 23 LYS A N 1 ATOM 137 C CA . LYS A 1 23 ? -42.220 -15.882 22.476 1.00 26.01 ? 23 LYS A CA 1 ATOM 138 C C . LYS A 1 23 ? -41.790 -16.377 23.852 1.00 25.21 ? 23 LYS A C 1 ATOM 139 O O . LYS A 1 23 ? -42.634 -16.623 24.709 1.00 24.60 ? 23 LYS A O 1 ATOM 140 C CB . LYS A 1 23 ? -42.399 -17.087 21.554 1.00 32.35 ? 23 LYS A CB 1 ATOM 141 C CG . LYS A 1 23 ? -43.818 -17.626 21.508 1.00 40.64 ? 23 LYS A CG 1 ATOM 142 C CD . LYS A 1 23 ? -43.888 -18.983 20.789 1.00 45.14 ? 23 LYS A CD 1 ATOM 143 C CE . LYS A 1 23 ? -43.528 -20.153 21.716 1.00 46.30 ? 23 LYS A CE 1 ATOM 144 N NZ . LYS A 1 23 ? -44.327 -20.192 22.981 1.00 47.48 ? 23 LYS A NZ 1 ATOM 145 N N . THR A 1 24 ? -40.493 -16.512 24.097 1.00 21.95 ? 24 THR A N 1 ATOM 146 C CA . THR A 1 24 ? -40.097 -17.050 25.385 1.00 22.02 ? 24 THR A CA 1 ATOM 147 C C . THR A 1 24 ? -39.095 -16.262 26.213 1.00 23.36 ? 24 THR A C 1 ATOM 148 O O . THR A 1 24 ? -38.627 -16.778 27.229 1.00 24.14 ? 24 THR A O 1 ATOM 149 C CB . THR A 1 24 ? -39.536 -18.482 25.207 1.00 21.64 ? 24 THR A CB 1 ATOM 150 O OG1 . THR A 1 24 ? -38.373 -18.437 24.367 1.00 19.08 ? 24 THR A OG1 1 ATOM 151 C CG2 . THR A 1 24 ? -40.573 -19.390 24.540 1.00 18.30 ? 24 THR A CG2 1 ATOM 152 N N . GLU A 1 25 ? -38.764 -15.028 25.825 1.00 21.73 ? 25 GLU A N 1 ATOM 153 C CA . GLU A 1 25 ? -37.773 -14.301 26.615 1.00 21.26 ? 25 GLU A CA 1 ATOM 154 C C . GLU A 1 25 ? -38.207 -14.052 28.051 1.00 22.76 ? 25 GLU A C 1 ATOM 155 O O . GLU A 1 25 ? -37.368 -13.955 28.948 1.00 22.30 ? 25 GLU A O 1 ATOM 156 C CB . GLU A 1 25 ? -37.357 -12.993 25.933 1.00 21.13 ? 25 GLU A CB 1 ATOM 157 C CG . GLU A 1 25 ? -38.481 -12.022 25.609 1.00 22.63 ? 25 GLU A CG 1 ATOM 158 C CD . GLU A 1 25 ? -37.941 -10.758 25.004 1.00 19.32 ? 25 GLU A CD 1 ATOM 159 O OE1 . GLU A 1 25 ? -37.931 -10.645 23.762 1.00 23.17 ? 25 GLU A OE1 1 ATOM 160 O OE2 . GLU A 1 25 ? -37.504 -9.884 25.776 1.00 23.39 ? 25 GLU A OE2 1 ATOM 161 N N . ARG A 1 26 ? -39.516 -13.977 28.277 1.00 24.19 ? 26 ARG A N 1 ATOM 162 C CA . ARG A 1 26 ? -40.053 -13.777 29.614 1.00 26.63 ? 26 ARG A CA 1 ATOM 163 C C . ARG A 1 26 ? -39.590 -14.871 30.581 1.00 25.48 ? 26 ARG A C 1 ATOM 164 O O . ARG A 1 26 ? -39.415 -14.626 31.777 1.00 25.07 ? 26 ARG A O 1 ATOM 165 C CB . ARG A 1 26 ? -41.582 -13.768 29.558 1.00 33.62 ? 26 ARG A CB 1 ATOM 166 C CG . ARG A 1 26 ? -42.222 -12.699 30.417 1.00 40.88 ? 26 ARG A CG 1 ATOM 167 C CD . ARG A 1 26 ? -42.450 -11.421 29.619 1.00 49.13 ? 26 ARG A CD 1 ATOM 168 N NE . ARG A 1 26 ? -42.435 -10.238 30.476 1.00 56.43 ? 26 ARG A NE 1 ATOM 169 C CZ . ARG A 1 26 ? -43.285 -10.036 31.480 1.00 60.02 ? 26 ARG A CZ 1 ATOM 170 N NH1 . ARG A 1 26 ? -43.200 -8.929 32.214 1.00 61.14 ? 26 ARG A NH1 1 ATOM 171 N NH2 . ARG A 1 26 ? -44.226 -10.937 31.749 1.00 61.92 ? 26 ARG A NH2 1 ATOM 172 N N . GLU A 1 27 ? -39.408 -16.081 30.058 1.00 25.19 ? 27 GLU A N 1 ATOM 173 C CA . GLU A 1 27 ? -38.958 -17.225 30.858 1.00 23.53 ? 27 GLU A CA 1 ATOM 174 C C . GLU A 1 27 ? -37.570 -16.924 31.439 1.00 22.58 ? 27 GLU A C 1 ATOM 175 O O . GLU A 1 27 ? -37.309 -17.170 32.615 1.00 23.17 ? 27 GLU A O 1 ATOM 176 C CB . GLU A 1 27 ? -38.896 -18.494 29.986 1.00 25.13 ? 27 GLU A CB 1 ATOM 177 C CG . GLU A 1 27 ? -38.708 -19.790 30.777 1.00 28.78 ? 27 GLU A CG 1 ATOM 178 C CD . GLU A 1 27 ? -38.337 -20.995 29.906 1.00 31.75 ? 27 GLU A CD 1 ATOM 179 O OE1 . GLU A 1 27 ? -37.866 -22.011 30.476 1.00 31.02 ? 27 GLU A OE1 1 ATOM 180 O OE2 . GLU A 1 27 ? -38.510 -20.936 28.664 1.00 31.84 ? 27 GLU A OE2 1 ATOM 181 N N . LEU A 1 28 ? -36.680 -16.389 30.608 1.00 20.40 ? 28 LEU A N 1 ATOM 182 C CA . LEU A 1 28 ? -35.342 -16.039 31.076 1.00 20.55 ? 28 LEU A CA 1 ATOM 183 C C . LEU A 1 28 ? -35.412 -14.970 32.166 1.00 20.90 ? 28 LEU A C 1 ATOM 184 O O . LEU A 1 28 ? -34.888 -15.157 33.263 1.00 21.41 ? 28 LEU A O 1 ATOM 185 C CB . LEU A 1 28 ? -34.488 -15.514 29.913 1.00 18.76 ? 28 LEU A CB 1 ATOM 186 C CG . LEU A 1 28 ? -34.521 -16.339 28.626 1.00 23.00 ? 28 LEU A CG 1 ATOM 187 C CD1 . LEU A 1 28 ? -33.647 -15.672 27.579 1.00 20.85 ? 28 LEU A CD1 1 ATOM 188 C CD2 . LEU A 1 28 ? -34.058 -17.777 28.907 1.00 21.86 ? 28 LEU A CD2 1 ATOM 189 N N . LEU A 1 29 ? -36.071 -13.852 31.863 1.00 23.17 ? 29 LEU A N 1 ATOM 190 C CA . LEU A 1 29 ? -36.180 -12.746 32.810 1.00 22.98 ? 29 LEU A CA 1 ATOM 191 C C . LEU A 1 29 ? -36.797 -13.170 34.141 1.00 24.64 ? 29 LEU A C 1 ATOM 192 O O . LEU A 1 29 ? -36.386 -12.693 35.200 1.00 22.51 ? 29 LEU A O 1 ATOM 193 C CB . LEU A 1 29 ? -36.991 -11.595 32.203 1.00 26.60 ? 29 LEU A CB 1 ATOM 194 C CG . LEU A 1 29 ? -36.318 -10.686 31.159 1.00 31.26 ? 29 LEU A CG 1 ATOM 195 C CD1 . LEU A 1 29 ? -35.032 -10.082 31.719 1.00 35.79 ? 29 LEU A CD1 1 ATOM 196 C CD2 . LEU A 1 29 ? -36.006 -11.479 29.889 1.00 34.24 ? 29 LEU A CD2 1 ATOM 197 N N . GLU A 1 30 ? -37.774 -14.073 34.100 1.00 24.07 ? 30 GLU A N 1 ATOM 198 C CA . GLU A 1 30 ? -38.396 -14.511 35.338 1.00 26.11 ? 30 GLU A CA 1 ATOM 199 C C . GLU A 1 30 ? -37.442 -15.370 36.169 1.00 27.35 ? 30 GLU A C 1 ATOM 200 O O . GLU A 1 30 ? -37.622 -15.507 37.370 1.00 26.52 ? 30 GLU A O 1 ATOM 201 C CB . GLU A 1 30 ? -39.684 -15.287 35.047 1.00 29.52 ? 30 GLU A CB 1 ATOM 202 C CG . GLU A 1 30 ? -40.769 -14.420 34.443 1.00 37.33 ? 30 GLU A CG 1 ATOM 203 C CD . GLU A 1 30 ? -42.068 -15.166 34.224 1.00 42.12 ? 30 GLU A CD 1 ATOM 204 O OE1 . GLU A 1 30 ? -43.113 -14.498 34.041 1.00 44.10 ? 30 GLU A OE1 1 ATOM 205 O OE2 . GLU A 1 30 ? -42.047 -16.418 34.232 1.00 45.18 ? 30 GLU A OE2 1 ATOM 206 N N . SER A 1 31 ? -36.424 -15.945 35.539 1.00 27.84 ? 31 SER A N 1 ATOM 207 C CA . SER A 1 31 ? -35.473 -16.772 36.281 1.00 29.02 ? 31 SER A CA 1 ATOM 208 C C . SER A 1 31 ? -34.434 -15.922 37.018 1.00 28.90 ? 31 SER A C 1 ATOM 209 O O . SER A 1 31 ? -33.804 -16.388 37.964 1.00 28.66 ? 31 SER A O 1 ATOM 210 C CB . SER A 1 31 ? -34.759 -17.752 35.343 1.00 25.88 ? 31 SER A CB 1 ATOM 211 O OG . SER A 1 31 ? -33.824 -17.092 34.500 1.00 27.54 ? 31 SER A OG 1 ATOM 212 N N . TYR A 1 32 ? -34.267 -14.676 36.589 1.00 29.63 ? 32 TYR A N 1 ATOM 213 C CA . TYR A 1 32 ? -33.291 -13.784 37.208 1.00 33.14 ? 32 TYR A CA 1 ATOM 214 C C . TYR A 1 32 ? -33.798 -13.127 38.483 1.00 37.87 ? 32 TYR A C 1 ATOM 215 O O . TYR A 1 32 ? -34.243 -11.978 38.461 1.00 39.97 ? 32 TYR A O 1 ATOM 216 C CB . TYR A 1 32 ? -32.869 -12.689 36.226 1.00 28.12 ? 32 TYR A CB 1 ATOM 217 C CG . TYR A 1 32 ? -32.399 -13.179 34.876 1.00 28.11 ? 32 TYR A CG 1 ATOM 218 C CD1 . TYR A 1 32 ? -31.872 -14.461 34.712 1.00 23.74 ? 32 TYR A CD1 1 ATOM 219 C CD2 . TYR A 1 32 ? -32.480 -12.349 33.753 1.00 25.28 ? 32 TYR A CD2 1 ATOM 220 C CE1 . TYR A 1 32 ? -31.440 -14.905 33.469 1.00 23.91 ? 32 TYR A CE1 1 ATOM 221 C CE2 . TYR A 1 32 ? -32.052 -12.783 32.505 1.00 24.26 ? 32 TYR A CE2 1 ATOM 222 C CZ . TYR A 1 32 ? -31.534 -14.064 32.368 1.00 25.84 ? 32 TYR A CZ 1 ATOM 223 O OH . TYR A 1 32 ? -31.142 -14.508 31.125 1.00 21.39 ? 32 TYR A OH 1 ATOM 224 N N . ILE A 1 33 ? -33.717 -13.849 39.594 1.00 42.75 ? 33 ILE A N 1 ATOM 225 C CA . ILE A 1 33 ? -34.173 -13.324 40.880 1.00 48.86 ? 33 ILE A CA 1 ATOM 226 C C . ILE A 1 33 ? -33.386 -12.088 41.315 1.00 53.18 ? 33 ILE A C 1 ATOM 227 O O . ILE A 1 33 ? -32.258 -12.261 41.825 1.00 56.08 ? 33 ILE A O 1 ATOM 228 C CB . ILE A 1 33 ? -34.034 -14.377 41.992 1.00 49.22 ? 33 ILE A CB 1 ATOM 229 C CG1 . ILE A 1 33 ? -34.709 -15.681 41.563 1.00 48.22 ? 33 ILE A CG1 1 ATOM 230 C CG2 . ILE A 1 33 ? -34.630 -13.838 43.291 1.00 49.29 ? 33 ILE A CG2 1 ATOM 231 C CD1 . ILE A 1 33 ? -36.149 -15.516 41.131 1.00 46.87 ? 33 ILE A CD1 1 ATOM 232 N N . ILE B 2 1 ? -30.595 -29.289 18.236 1.00 16.32 ? 37 ILE B N 1 ATOM 233 C CA . ILE B 2 1 ? -31.285 -29.036 19.524 1.00 17.59 ? 37 ILE B CA 1 ATOM 234 C C . ILE B 2 1 ? -32.344 -30.094 19.809 1.00 21.22 ? 37 ILE B C 1 ATOM 235 O O . ILE B 2 1 ? -33.135 -30.455 18.939 1.00 23.49 ? 37 ILE B O 1 ATOM 236 C CB . ILE B 2 1 ? -31.971 -27.646 19.529 1.00 16.45 ? 37 ILE B CB 1 ATOM 237 C CG1 . ILE B 2 1 ? -30.925 -26.535 19.298 1.00 17.17 ? 37 ILE B CG1 1 ATOM 238 C CG2 . ILE B 2 1 ? -32.707 -27.446 20.842 1.00 15.83 ? 37 ILE B CG2 1 ATOM 239 C CD1 . ILE B 2 1 ? -29.912 -26.359 20.433 1.00 16.49 ? 37 ILE B CD1 1 ATOM 240 N N . VAL B 2 2 ? -32.362 -30.565 21.050 1.00 23.62 ? 38 VAL B N 1 ATOM 241 C CA . VAL B 2 2 ? -33.298 -31.586 21.488 1.00 24.66 ? 38 VAL B CA 1 ATOM 242 C C . VAL B 2 2 ? -34.368 -30.988 22.390 1.00 24.31 ? 38 VAL B C 1 ATOM 243 O O . VAL B 2 2 ? -34.055 -30.350 23.400 1.00 24.48 ? 38 VAL B O 1 ATOM 244 C CB . VAL B 2 2 ? -32.558 -32.718 22.286 1.00 25.68 ? 38 VAL B CB 1 ATOM 245 C CG1 . VAL B 2 2 ? -33.558 -33.766 22.760 1.00 24.40 ? 38 VAL B CG1 1 ATOM 246 C CG2 . VAL B 2 2 ? -31.486 -33.357 21.416 1.00 23.20 ? 38 VAL B CG2 1 ATOM 247 N N . GLU B 2 3 ? -35.631 -31.200 22.019 1.00 25.29 ? 39 GLU B N 1 ATOM 248 C CA . GLU B 2 3 ? -36.767 -30.716 22.794 1.00 25.14 ? 39 GLU B CA 1 ATOM 249 C C . GLU B 2 3 ? -36.907 -29.190 22.786 1.00 25.90 ? 39 GLU B C 1 ATOM 250 O O . GLU B 2 3 ? -37.313 -28.595 23.782 1.00 24.61 ? 39 GLU B O 1 ATOM 251 C CB . GLU B 2 3 ? -36.638 -31.208 24.233 1.00 29.66 ? 39 GLU B CB 1 ATOM 252 C CG . GLU B 2 3 ? -37.926 -31.248 25.000 1.00 38.58 ? 39 GLU B CG 1 ATOM 253 C CD . GLU B 2 3 ? -38.773 -32.464 24.648 1.00 43.79 ? 39 GLU B CD 1 ATOM 254 O OE1 . GLU B 2 3 ? -38.271 -33.375 23.946 1.00 44.36 ? 39 GLU B OE1 1 ATOM 255 O OE2 . GLU B 2 3 ? -39.945 -32.498 25.079 1.00 47.31 ? 39 GLU B OE2 1 ATOM 256 N N . GLY B 2 4 ? -36.552 -28.569 21.663 1.00 25.60 ? 40 GLY B N 1 ATOM 257 C CA . GLY B 2 4 ? -36.658 -27.128 21.541 1.00 25.28 ? 40 GLY B CA 1 ATOM 258 C C . GLY B 2 4 ? -37.836 -26.803 20.643 1.00 29.24 ? 40 GLY B C 1 ATOM 259 O O . GLY B 2 4 ? -38.708 -27.642 20.432 1.00 27.59 ? 40 GLY B O 1 ATOM 260 N N . SER B 2 5 ? -37.879 -25.596 20.101 1.00 28.41 ? 41 SER B N 1 ATOM 261 C CA . SER B 2 5 ? -38.981 -25.236 19.224 1.00 30.00 ? 41 SER B CA 1 ATOM 262 C C . SER B 2 5 ? -38.445 -24.356 18.116 1.00 27.53 ? 41 SER B C 1 ATOM 263 O O . SER B 2 5 ? -37.320 -23.875 18.194 1.00 26.88 ? 41 SER B O 1 ATOM 264 C CB . SER B 2 5 ? -40.075 -24.516 20.011 1.00 31.11 ? 41 SER B CB 1 ATOM 265 O OG . SER B 2 5 ? -39.579 -23.309 20.562 1.00 39.87 ? 41 SER B OG 1 ATOM 266 N N . ASP B 2 6 ? -39.240 -24.177 17.070 1.00 25.37 ? 42 ASP B N 1 ATOM 267 C CA . ASP B 2 6 ? -38.832 -23.365 15.937 1.00 23.95 ? 42 ASP B CA 1 ATOM 268 C C . ASP B 2 6 ? -38.575 -21.951 16.427 1.00 23.78 ? 42 ASP B C 1 ATOM 269 O O . ASP B 2 6 ? -39.325 -21.439 17.245 1.00 21.21 ? 42 ASP B O 1 ATOM 270 C CB . ASP B 2 6 ? -39.943 -23.319 14.896 1.00 29.70 ? 42 ASP B CB 1 ATOM 271 C CG . ASP B 2 6 ? -40.093 -24.620 14.131 1.00 31.95 ? 42 ASP B CG 1 ATOM 272 O OD1 . ASP B 2 6 ? -39.374 -25.594 14.435 1.00 31.61 ? 42 ASP B OD1 1 ATOM 273 O OD2 . ASP B 2 6 ? -40.939 -24.652 13.213 1.00 35.54 ? 42 ASP B OD2 1 ATOM 274 N N . ALA B 2 7 ? -37.517 -21.328 15.934 1.00 23.19 ? 43 ALA B N 1 ATOM 275 C CA . ALA B 2 7 ? -37.206 -19.960 16.330 1.00 24.32 ? 43 ALA B CA 1 ATOM 276 C C . ALA B 2 7 ? -38.090 -19.010 15.523 1.00 23.68 ? 43 ALA B C 1 ATOM 277 O O . ALA B 2 7 ? -38.575 -19.375 14.450 1.00 23.28 ? 43 ALA B O 1 ATOM 278 C CB . ALA B 2 7 ? -35.737 -19.660 16.039 1.00 19.32 ? 43 ALA B CB 1 ATOM 279 N N . GLU B 2 8 ? -38.304 -17.805 16.040 1.00 23.50 ? 44 GLU B N 1 ATOM 280 C CA . GLU B 2 8 ? -39.080 -16.804 15.309 1.00 23.41 ? 44 GLU B CA 1 ATOM 281 C C . GLU B 2 8 ? -38.100 -16.150 14.340 1.00 21.49 ? 44 GLU B C 1 ATOM 282 O O . GLU B 2 8 ? -36.890 -16.170 14.573 1.00 20.07 ? 44 GLU B O 1 ATOM 283 C CB . GLU B 2 8 ? -39.637 -15.739 16.259 1.00 25.78 ? 44 GLU B CB 1 ATOM 284 C CG . GLU B 2 8 ? -40.710 -16.245 17.203 1.00 28.75 ? 44 GLU B CG 1 ATOM 285 C CD . GLU B 2 8 ? -41.033 -15.262 18.314 1.00 30.85 ? 44 GLU B CD 1 ATOM 286 O OE1 . GLU B 2 8 ? -41.618 -14.207 18.006 1.00 32.70 ? 44 GLU B OE1 1 ATOM 287 O OE2 . GLU B 2 8 ? -40.709 -15.545 19.492 1.00 31.45 ? 44 GLU B OE2 1 ATOM 288 N N . ILE B 2 9 ? -38.610 -15.590 13.248 1.00 20.49 ? 45 ILE B N 1 ATOM 289 C CA . ILE B 2 9 ? -37.765 -14.907 12.278 1.00 21.52 ? 45 ILE B CA 1 ATOM 290 C C . ILE B 2 9 ? -37.051 -13.740 12.989 1.00 22.68 ? 45 ILE B C 1 ATOM 291 O O . ILE B 2 9 ? -37.676 -12.983 13.728 1.00 22.29 ? 45 ILE B O 1 ATOM 292 C CB . ILE B 2 9 ? -38.619 -14.341 11.106 1.00 22.82 ? 45 ILE B CB 1 ATOM 293 C CG1 . ILE B 2 9 ? -39.395 -15.476 10.424 1.00 24.87 ? 45 ILE B CG1 1 ATOM 294 C CG2 . ILE B 2 9 ? -37.744 -13.568 10.133 1.00 19.97 ? 45 ILE B CG2 1 ATOM 295 C CD1 . ILE B 2 9 ? -38.577 -16.342 9.498 1.00 24.86 ? 45 ILE B CD1 1 ATOM 296 N N . GLY B 2 10 ? -35.742 -13.619 12.783 1.00 22.79 ? 46 GLY B N 1 ATOM 297 C CA . GLY B 2 10 ? -34.979 -12.542 13.402 1.00 21.95 ? 46 GLY B CA 1 ATOM 298 C C . GLY B 2 10 ? -34.707 -12.644 14.898 1.00 20.49 ? 46 GLY B C 1 ATOM 299 O O . GLY B 2 10 ? -34.169 -11.701 15.489 1.00 19.45 ? 46 GLY B O 1 ATOM 300 N N . MET B 2 11 ? -35.069 -13.777 15.503 1.00 17.35 ? 47 MET B N 1 ATOM 301 C CA . MET B 2 11 ? -34.870 -14.032 16.935 1.00 15.29 ? 47 MET B CA 1 ATOM 302 C C . MET B 2 11 ? -33.393 -14.113 17.393 1.00 12.46 ? 47 MET B C 1 ATOM 303 O O . MET B 2 11 ? -33.088 -13.772 18.525 1.00 12.77 ? 47 MET B O 1 ATOM 304 C CB . MET B 2 11 ? -35.583 -15.332 17.308 1.00 19.51 ? 47 MET B CB 1 ATOM 305 C CG . MET B 2 11 ? -35.860 -15.555 18.778 1.00 22.22 ? 47 MET B CG 1 ATOM 306 S SD . MET B 2 11 ? -36.446 -17.278 18.961 1.00 26.22 ? 47 MET B SD 1 ATOM 307 C CE . MET B 2 11 ? -37.318 -17.242 20.528 1.00 21.11 ? 47 MET B CE 1 ATOM 308 N N . SER B 2 12 ? -32.497 -14.582 16.529 1.00 14.35 ? 48 SER B N 1 ATOM 309 C CA . SER B 2 12 ? -31.058 -14.699 16.852 1.00 17.24 ? 48 SER B CA 1 ATOM 310 C C . SER B 2 12 ? -30.323 -14.223 15.635 1.00 16.82 ? 48 SER B C 1 ATOM 311 O O . SER B 2 12 ? -29.762 -15.021 14.896 1.00 16.80 ? 48 SER B O 1 ATOM 312 C CB . SER B 2 12 ? -30.639 -16.153 17.097 1.00 21.18 ? 48 SER B CB 1 ATOM 313 O OG . SER B 2 12 ? -31.176 -16.643 18.302 1.00 31.11 ? 48 SER B OG 1 ATOM 314 N N . PRO B 2 13 ? -30.269 -12.906 15.430 1.00 17.39 ? 49 PRO B N 1 ATOM 315 C CA . PRO B 2 13 ? -29.586 -12.390 14.245 1.00 15.07 ? 49 PRO B CA 1 ATOM 316 C C . PRO B 2 13 ? -28.062 -12.553 14.218 1.00 15.26 ? 49 PRO B C 1 ATOM 317 O O . PRO B 2 13 ? -27.434 -12.330 13.187 1.00 14.72 ? 49 PRO B O 1 ATOM 318 C CB . PRO B 2 13 ? -30.050 -10.925 14.191 1.00 17.22 ? 49 PRO B CB 1 ATOM 319 C CG . PRO B 2 13 ? -30.259 -10.569 15.633 1.00 16.61 ? 49 PRO B CG 1 ATOM 320 C CD . PRO B 2 13 ? -30.793 -11.828 16.294 1.00 15.25 ? 49 PRO B CD 1 ATOM 321 N N . TRP B 2 14 ? -27.480 -12.961 15.346 1.00 15.22 ? 50 TRP B N 1 ATOM 322 C CA . TRP B 2 14 ? -26.032 -13.185 15.454 1.00 13.86 ? 50 TRP B CA 1 ATOM 323 C C . TRP B 2 14 ? -25.675 -14.666 15.141 1.00 16.64 ? 50 TRP B C 1 ATOM 324 O O . TRP B 2 14 ? -24.490 -15.037 15.086 1.00 14.10 ? 50 TRP B O 1 ATOM 325 C CB . TRP B 2 14 ? -25.555 -12.863 16.875 1.00 12.31 ? 50 TRP B CB 1 ATOM 326 C CG . TRP B 2 14 ? -26.557 -13.227 17.933 1.00 15.12 ? 50 TRP B CG 1 ATOM 327 C CD1 . TRP B 2 14 ? -26.804 -14.475 18.443 1.00 15.49 ? 50 TRP B CD1 1 ATOM 328 C CD2 . TRP B 2 14 ? -27.491 -12.339 18.576 1.00 14.98 ? 50 TRP B CD2 1 ATOM 329 N NE1 . TRP B 2 14 ? -27.835 -14.416 19.358 1.00 17.98 ? 50 TRP B NE1 1 ATOM 330 C CE2 . TRP B 2 14 ? -28.274 -13.119 19.459 1.00 16.07 ? 50 TRP B CE2 1 ATOM 331 C CE3 . TRP B 2 14 ? -27.743 -10.962 18.488 1.00 17.31 ? 50 TRP B CE3 1 ATOM 332 C CZ2 . TRP B 2 14 ? -29.295 -12.564 20.252 1.00 16.97 ? 50 TRP B CZ2 1 ATOM 333 C CZ3 . TRP B 2 14 ? -28.759 -10.409 19.274 1.00 13.98 ? 50 TRP B CZ3 1 ATOM 334 C CH2 . TRP B 2 14 ? -29.520 -11.213 20.142 1.00 14.09 ? 50 TRP B CH2 1 ATOM 335 N N . GLN B 2 15 ? -26.689 -15.508 14.952 1.00 17.07 ? 51 GLN B N 1 ATOM 336 C CA . GLN B 2 15 ? -26.440 -16.927 14.672 1.00 17.85 ? 51 GLN B CA 1 ATOM 337 C C . GLN B 2 15 ? -25.765 -17.136 13.324 1.00 17.95 ? 51 GLN B C 1 ATOM 338 O O . GLN B 2 15 ? -26.207 -16.633 12.289 1.00 19.88 ? 51 GLN B O 1 ATOM 339 C CB . GLN B 2 15 ? -27.748 -17.729 14.737 1.00 18.57 ? 51 GLN B CB 1 ATOM 340 C CG . GLN B 2 15 ? -27.562 -19.225 14.492 1.00 18.85 ? 51 GLN B CG 1 ATOM 341 C CD . GLN B 2 15 ? -27.003 -19.967 15.695 1.00 18.87 ? 51 GLN B CD 1 ATOM 342 O OE1 . GLN B 2 15 ? -27.358 -19.691 16.840 1.00 26.05 ? 51 GLN B OE1 1 ATOM 343 N NE2 . GLN B 2 15 ? -26.126 -20.920 15.433 1.00 23.10 ? 51 GLN B NE2 1 ATOM 344 N N . VAL B 2 16 ? -24.684 -17.896 13.340 1.00 16.55 ? 52 VAL B N 1 ATOM 345 C CA . VAL B 2 16 ? -23.925 -18.164 12.127 1.00 16.28 ? 52 VAL B CA 1 ATOM 346 C C . VAL B 2 16 ? -23.845 -19.671 11.857 1.00 19.44 ? 52 VAL B C 1 ATOM 347 O O . VAL B 2 16 ? -23.834 -20.481 12.785 1.00 19.03 ? 52 VAL B O 1 ATOM 348 C CB . VAL B 2 16 ? -22.494 -17.618 12.270 1.00 17.55 ? 52 VAL B CB 1 ATOM 349 C CG1 . VAL B 2 16 ? -21.642 -18.019 11.043 1.00 17.35 ? 52 VAL B CG1 1 ATOM 350 C CG2 . VAL B 2 16 ? -22.532 -16.100 12.465 1.00 13.68 ? 52 VAL B CG2 1 ATOM 351 N N . MET B 2 17 ? -23.803 -20.040 10.584 1.00 19.93 ? 53 MET B N 1 ATOM 352 C CA . MET B 2 17 ? -23.681 -21.437 10.198 1.00 21.68 ? 53 MET B CA 1 ATOM 353 C C . MET B 2 17 ? -22.279 -21.671 9.610 1.00 22.20 ? 53 MET B C 1 ATOM 354 O O . MET B 2 17 ? -21.839 -20.926 8.732 1.00 20.72 ? 53 MET B O 1 ATOM 355 C CB . MET B 2 17 ? -24.743 -21.798 9.151 1.00 22.29 ? 53 MET B CB 1 ATOM 356 C CG . MET B 2 17 ? -24.640 -23.230 8.621 1.00 25.79 ? 53 MET B CG 1 ATOM 357 S SD . MET B 2 17 ? -25.898 -23.670 7.359 1.00 29.03 ? 53 MET B SD 1 ATOM 358 C CE . MET B 2 17 ? -27.388 -23.646 8.323 1.00 15.50 ? 53 MET B CE 1 ATOM 359 N N . LEU B 2 18 ? -21.572 -22.669 10.139 1.00 21.28 ? 54 LEU B N 1 ATOM 360 C CA . LEU B 2 18 ? -20.245 -23.051 9.637 1.00 26.01 ? 54 LEU B CA 1 ATOM 361 C C . LEU B 2 18 ? -20.588 -24.146 8.635 1.00 26.21 ? 54 LEU B C 1 ATOM 362 O O . LEU B 2 18 ? -21.158 -25.190 8.991 1.00 26.12 ? 54 LEU B O 1 ATOM 363 C CB . LEU B 2 18 ? -19.362 -23.631 10.749 1.00 27.88 ? 54 LEU B CB 1 ATOM 364 C CG . LEU B 2 18 ? -18.571 -22.694 11.657 1.00 34.32 ? 54 LEU B CG 1 ATOM 365 C CD1 . LEU B 2 18 ? -17.173 -23.278 11.873 1.00 36.00 ? 54 LEU B CD1 1 ATOM 366 C CD2 . LEU B 2 18 ? -18.481 -21.303 11.036 1.00 39.90 ? 54 LEU B CD2 1 ATOM 367 N N . PHE B 2 19 ? -20.235 -23.895 7.387 1.00 28.85 ? 55 PHE B N 1 ATOM 368 C CA . PHE B 2 19 ? -20.568 -24.785 6.293 1.00 32.93 ? 55 PHE B CA 1 ATOM 369 C C . PHE B 2 19 ? -19.342 -25.282 5.535 1.00 36.49 ? 55 PHE B C 1 ATOM 370 O O . PHE B 2 19 ? -18.470 -24.496 5.157 1.00 37.98 ? 55 PHE B O 1 ATOM 371 C CB . PHE B 2 19 ? -21.492 -24.014 5.347 1.00 33.31 ? 55 PHE B CB 1 ATOM 372 C CG . PHE B 2 19 ? -22.290 -24.878 4.430 1.00 33.67 ? 55 PHE B CG 1 ATOM 373 C CD1 . PHE B 2 19 ? -23.367 -25.610 4.907 1.00 30.76 ? 55 PHE B CD1 1 ATOM 374 C CD2 . PHE B 2 19 ? -21.980 -24.935 3.073 1.00 34.49 ? 55 PHE B CD2 1 ATOM 375 C CE1 . PHE B 2 19 ? -24.127 -26.385 4.051 1.00 33.23 ? 55 PHE B CE1 1 ATOM 376 C CE2 . PHE B 2 19 ? -22.736 -25.706 2.205 1.00 33.66 ? 55 PHE B CE2 1 ATOM 377 C CZ . PHE B 2 19 ? -23.813 -26.433 2.693 1.00 33.27 ? 55 PHE B CZ 1 ATOM 378 N N . ARG B 2 20 ? -19.282 -26.591 5.309 1.00 37.91 ? 56 ARG B N 1 ATOM 379 C CA . ARG B 2 20 ? -18.168 -27.187 4.585 1.00 39.19 ? 56 ARG B CA 1 ATOM 380 C C . ARG B 2 20 ? -18.346 -27.003 3.077 1.00 39.73 ? 56 ARG B C 1 ATOM 381 O O . ARG B 2 20 ? -19.434 -27.221 2.536 1.00 37.36 ? 56 ARG B O 1 ATOM 382 C CB . ARG B 2 20 ? -18.064 -28.677 4.916 1.00 41.70 ? 56 ARG B CB 1 ATOM 383 C CG . ARG B 2 20 ? -16.642 -29.176 5.002 1.00 44.68 ? 56 ARG B CG 1 ATOM 384 C CD . ARG B 2 20 ? -16.468 -30.438 4.205 1.00 47.26 ? 56 ARG B CD 1 ATOM 385 N NE . ARG B 2 20 ? -16.482 -31.608 5.071 1.00 48.35 ? 56 ARG B NE 1 ATOM 386 C CZ . ARG B 2 20 ? -15.476 -32.472 5.171 1.00 49.30 ? 56 ARG B CZ 1 ATOM 387 N NH1 . ARG B 2 20 ? -14.371 -32.297 4.457 1.00 47.12 ? 56 ARG B NH1 1 ATOM 388 N NH2 . ARG B 2 20 ? -15.578 -33.510 5.989 1.00 48.98 ? 56 ARG B NH2 1 ATOM 389 N N . LYS B 2 21 ? -17.267 -26.604 2.408 1.00 40.89 ? 57 LYS B N 1 ATOM 390 C CA . LYS B 2 21 ? -17.286 -26.379 0.964 1.00 44.71 ? 57 LYS B CA 1 ATOM 391 C C . LYS B 2 21 ? -17.605 -27.651 0.173 1.00 46.24 ? 57 LYS B C 1 ATOM 392 O O . LYS B 2 21 ? -18.547 -27.681 -0.624 1.00 48.47 ? 57 LYS B O 1 ATOM 393 C CB . LYS B 2 21 ? -15.942 -25.816 0.501 1.00 43.42 ? 57 LYS B CB 1 ATOM 394 C CG . LYS B 2 21 ? -15.765 -24.325 0.750 1.00 43.91 ? 57 LYS B CG 1 ATOM 395 C CD . LYS B 2 21 ? -14.797 -23.721 -0.259 1.00 44.06 ? 57 LYS B CD 1 ATOM 396 C CE . LYS B 2 21 ? -14.118 -22.487 0.290 1.00 44.95 ? 57 LYS B CE 1 ATOM 397 N NZ . LYS B 2 21 ? -12.880 -22.162 -0.469 1.00 45.58 ? 57 LYS B NZ 1 ATOM 398 N N . SER B 2 22 ? -16.821 -28.699 0.392 1.00 47.21 ? 58 SER B N 1 ATOM 399 C CA . SER B 2 22 ? -17.035 -29.958 -0.312 1.00 47.65 ? 58 SER B CA 1 ATOM 400 C C . SER B 2 22 ? -16.549 -31.134 0.517 1.00 46.18 ? 58 SER B C 1 ATOM 401 O O . SER B 2 22 ? -15.381 -31.192 0.891 1.00 45.42 ? 58 SER B O 1 ATOM 402 C CB . SER B 2 22 ? -16.301 -29.947 -1.650 1.00 50.61 ? 58 SER B CB 1 ATOM 403 O OG . SER B 2 22 ? -14.900 -30.028 -1.447 1.00 53.18 ? 58 SER B OG 1 ATOM 404 N N . PRO B 2 23 ? -17.456 -32.069 0.844 1.00 45.91 ? 59 PRO B N 1 ATOM 405 C CA . PRO B 2 23 ? -18.861 -31.989 0.439 1.00 47.18 ? 59 PRO B CA 1 ATOM 406 C C . PRO B 2 23 ? -19.562 -30.867 1.208 1.00 49.01 ? 59 PRO B C 1 ATOM 407 O O . PRO B 2 23 ? -19.202 -30.576 2.351 1.00 49.68 ? 59 PRO B O 1 ATOM 408 C CB . PRO B 2 23 ? -19.413 -33.361 0.808 1.00 46.52 ? 59 PRO B CB 1 ATOM 409 C CG . PRO B 2 23 ? -18.581 -33.781 1.965 1.00 45.45 ? 59 PRO B CG 1 ATOM 410 C CD . PRO B 2 23 ? -17.195 -33.269 1.655 1.00 46.12 ? 59 PRO B CD 1 ATOM 411 N N . GLN B 2 24 ? -20.550 -30.240 0.576 1.00 50.14 ? 60 GLN B N 1 ATOM 412 C CA . GLN B 2 24 ? -21.309 -29.157 1.198 1.00 50.11 ? 60 GLN B CA 1 ATOM 413 C C . GLN B 2 24 ? -22.086 -29.701 2.384 1.00 48.44 ? 60 GLN B C 1 ATOM 414 O O . GLN B 2 24 ? -23.008 -30.492 2.204 1.00 48.62 ? 60 GLN B O 1 ATOM 415 C CB . GLN B 2 24 ? -22.311 -28.553 0.204 1.00 51.98 ? 60 GLN B CB 1 ATOM 416 C CG . GLN B 2 24 ? -21.712 -28.098 -1.114 1.00 57.69 ? 60 GLN B CG 1 ATOM 417 C CD . GLN B 2 24 ? -22.415 -26.879 -1.694 1.00 61.54 ? 60 GLN B CD 1 ATOM 418 O OE1 . GLN B 2 24 ? -21.833 -26.128 -2.481 1.00 63.72 ? 60 GLN B OE1 1 ATOM 419 N NE2 . GLN B 2 24 ? -23.673 -26.675 -1.306 1.00 63.83 ? 60 GLN B NE2 1 ATOM 420 N N . GLU B 2 25 ? -21.726 -29.283 3.592 1.00 46.23 ? 61 GLU B N 1 ATOM 421 C CA . GLU B 2 25 ? -22.443 -29.751 4.773 1.00 43.25 ? 61 GLU B CA 1 ATOM 422 C C . GLU B 2 25 ? -22.324 -28.841 5.990 1.00 38.15 ? 61 GLU B C 1 ATOM 423 O O . GLU B 2 25 ? -21.410 -28.029 6.099 1.00 36.38 ? 61 GLU B O 1 ATOM 424 C CB . GLU B 2 25 ? -21.982 -31.161 5.148 1.00 45.26 ? 61 GLU B CB 1 ATOM 425 C CG . GLU B 2 25 ? -20.540 -31.256 5.609 1.00 49.75 ? 61 GLU B CG 1 ATOM 426 C CD . GLU B 2 25 ? -20.178 -32.656 6.081 1.00 53.24 ? 61 GLU B CD 1 ATOM 427 O OE1 . GLU B 2 25 ? -19.006 -32.868 6.464 1.00 55.13 ? 61 GLU B OE1 1 ATOM 428 O OE2 . GLU B 2 25 ? -21.059 -33.544 6.073 1.00 54.05 ? 61 GLU B OE2 1 ATOM 429 N N . LEU B 2 26 ? -23.281 -28.985 6.893 1.00 35.55 ? 62 LEU B N 1 ATOM 430 C CA . LEU B 2 26 ? -23.314 -28.215 8.120 1.00 32.96 ? 62 LEU B CA 1 ATOM 431 C C . LEU B 2 26 ? -22.259 -28.816 9.029 1.00 31.94 ? 62 LEU B C 1 ATOM 432 O O . LEU B 2 26 ? -22.243 -30.025 9.234 1.00 31.49 ? 62 LEU B O 1 ATOM 433 C CB . LEU B 2 26 ? -24.683 -28.338 8.781 1.00 34.05 ? 62 LEU B CB 1 ATOM 434 C CG . LEU B 2 26 ? -24.730 -27.879 10.241 1.00 36.28 ? 62 LEU B CG 1 ATOM 435 C CD1 . LEU B 2 26 ? -24.722 -26.359 10.285 1.00 36.46 ? 62 LEU B CD1 1 ATOM 436 C CD2 . LEU B 2 26 ? -25.962 -28.443 10.933 1.00 35.89 ? 62 LEU B CD2 1 ATOM 437 N N . LEU B 2 27 ? -21.382 -27.979 9.566 1.00 29.32 ? 63 LEU B N 1 ATOM 438 C CA . LEU B 2 27 ? -20.326 -28.451 10.448 1.00 28.81 ? 63 LEU B CA 1 ATOM 439 C C . LEU B 2 27 ? -20.556 -28.058 11.895 1.00 26.68 ? 63 LEU B C 1 ATOM 440 O O . LEU B 2 27 ? -20.379 -28.863 12.809 1.00 26.80 ? 63 LEU B O 1 ATOM 441 C CB . LEU B 2 27 ? -18.975 -27.868 10.028 1.00 31.30 ? 63 LEU B CB 1 ATOM 442 C CG . LEU B 2 27 ? -18.395 -28.168 8.646 1.00 36.94 ? 63 LEU B CG 1 ATOM 443 C CD1 . LEU B 2 27 ? -17.156 -27.314 8.436 1.00 37.13 ? 63 LEU B CD1 1 ATOM 444 C CD2 . LEU B 2 27 ? -18.047 -29.652 8.529 1.00 35.93 ? 63 LEU B CD2 1 ATOM 445 N N . CYS B 2 28 ? -20.972 -26.816 12.112 1.00 23.03 ? 64 CYS B N 1 ATOM 446 C CA . CYS B 2 28 ? -21.110 -26.336 13.478 1.00 20.92 ? 64 CYS B CA 1 ATOM 447 C C . CYS B 2 28 ? -21.872 -25.019 13.499 1.00 19.48 ? 64 CYS B C 1 ATOM 448 O O . CYS B 2 28 ? -22.159 -24.438 12.454 1.00 18.54 ? 64 CYS B O 1 ATOM 449 C CB . CYS B 2 28 ? -19.698 -26.054 14.013 1.00 20.49 ? 64 CYS B CB 1 ATOM 450 S SG . CYS B 2 28 ? -18.873 -27.358 14.994 1.00 21.94 ? 64 CYS B SG 1 ATOM 451 N N . GLY B 2 29 ? -22.174 -24.545 14.701 1.00 17.48 ? 65 GLY B N 1 ATOM 452 C CA . GLY B 2 29 ? -22.823 -23.254 14.831 1.00 17.36 ? 65 GLY B CA 1 ATOM 453 C C . GLY B 2 29 ? -21.705 -22.265 15.123 1.00 19.06 ? 65 GLY B C 1 ATOM 454 O O . GLY B 2 29 ? -20.534 -22.663 15.279 1.00 17.88 ? 65 GLY B O 1 ATOM 455 N N . ALA B 2 30 ? -22.041 -20.984 15.198 1.00 17.00 ? 66 ALA B N 1 ATOM 456 C CA . ALA B 2 30 ? -21.063 -19.942 15.502 1.00 16.04 ? 66 ALA B CA 1 ATOM 457 C C . ALA B 2 30 ? -21.861 -18.663 15.771 1.00 17.00 ? 66 ALA B C 1 ATOM 458 O O . ALA B 2 30 ? -23.098 -18.701 15.758 1.00 14.90 ? 66 ALA B O 1 ATOM 459 C CB . ALA B 2 30 ? -20.075 -19.750 14.331 1.00 11.12 ? 66 ALA B CB 1 ATOM 460 N N . SER B 2 31 ? -21.172 -17.551 16.042 1.00 16.96 ? 67 SER B N 1 ATOM 461 C CA . SER B 2 31 ? -21.860 -16.293 16.328 1.00 17.71 ? 67 SER B CA 1 ATOM 462 C C . SER B 2 31 ? -21.122 -15.058 15.787 1.00 20.58 ? 67 SER B C 1 ATOM 463 O O . SER B 2 31 ? -19.890 -15.041 15.690 1.00 20.74 ? 67 SER B O 1 ATOM 464 C CB . SER B 2 31 ? -22.095 -16.150 17.836 1.00 14.54 ? 67 SER B CB 1 ATOM 465 O OG . SER B 2 31 ? -20.888 -15.875 18.538 1.00 20.57 ? 67 SER B OG 1 ATOM 466 N N . LEU B 2 32 ? -21.882 -14.037 15.400 1.00 19.93 ? 68 LEU B N 1 ATOM 467 C CA . LEU B 2 32 ? -21.289 -12.814 14.853 1.00 19.96 ? 68 LEU B CA 1 ATOM 468 C C . LEU B 2 32 ? -21.099 -11.832 15.995 1.00 17.61 ? 68 LEU B C 1 ATOM 469 O O . LEU B 2 32 ? -22.053 -11.504 16.691 1.00 15.76 ? 68 LEU B O 1 ATOM 470 C CB . LEU B 2 32 ? -22.209 -12.209 13.776 1.00 21.61 ? 68 LEU B CB 1 ATOM 471 C CG . LEU B 2 32 ? -21.704 -11.001 12.970 1.00 22.57 ? 68 LEU B CG 1 ATOM 472 C CD1 . LEU B 2 32 ? -20.635 -11.467 12.019 1.00 20.26 ? 68 LEU B CD1 1 ATOM 473 C CD2 . LEU B 2 32 ? -22.858 -10.334 12.193 1.00 20.13 ? 68 LEU B CD2 1 ATOM 474 N N . ILE B 2 33 ? -19.867 -11.383 16.220 1.00 19.13 ? 69 ILE B N 1 ATOM 475 C CA . ILE B 2 33 ? -19.626 -10.441 17.319 1.00 20.23 ? 69 ILE B CA 1 ATOM 476 C C . ILE B 2 33 ? -19.226 -9.034 16.838 1.00 22.06 ? 69 ILE B C 1 ATOM 477 O O . ILE B 2 33 ? -19.011 -8.129 17.643 1.00 21.40 ? 69 ILE B O 1 ATOM 478 C CB . ILE B 2 33 ? -18.552 -10.957 18.301 1.00 21.17 ? 69 ILE B CB 1 ATOM 479 C CG1 . ILE B 2 33 ? -17.279 -11.335 17.546 1.00 22.74 ? 69 ILE B CG1 1 ATOM 480 C CG2 . ILE B 2 33 ? -19.098 -12.139 19.109 1.00 19.99 ? 69 ILE B CG2 1 ATOM 481 C CD1 . ILE B 2 33 ? -16.058 -11.473 18.467 1.00 22.22 ? 69 ILE B CD1 1 ATOM 482 N N . SER B 2 34 ? -19.117 -8.874 15.526 1.00 21.79 ? 70 SER B N 1 ATOM 483 C CA . SER B 2 34 ? -18.786 -7.590 14.916 1.00 27.01 ? 70 SER B CA 1 ATOM 484 C C . SER B 2 34 ? -18.946 -7.784 13.418 1.00 27.64 ? 70 SER B C 1 ATOM 485 O O . SER B 2 34 ? -19.243 -8.899 12.970 1.00 27.49 ? 70 SER B O 1 ATOM 486 C CB . SER B 2 34 ? -17.354 -7.169 15.258 1.00 26.11 ? 70 SER B CB 1 ATOM 487 O OG . SER B 2 34 ? -16.469 -7.486 14.205 1.00 30.34 ? 70 SER B OG 1 ATOM 488 N N . ASP B 2 35 ? -18.747 -6.723 12.638 1.00 28.25 ? 71 ASP B N 1 ATOM 489 C CA . ASP B 2 35 ? -18.902 -6.831 11.187 1.00 30.17 ? 71 ASP B CA 1 ATOM 490 C C . ASP B 2 35 ? -17.882 -7.742 10.520 1.00 28.90 ? 71 ASP B C 1 ATOM 491 O O . ASP B 2 35 ? -18.110 -8.217 9.406 1.00 28.45 ? 71 ASP B O 1 ATOM 492 C CB . ASP B 2 35 ? -18.871 -5.447 10.514 1.00 34.10 ? 71 ASP B CB 1 ATOM 493 C CG . ASP B 2 35 ? -17.566 -4.713 10.730 1.00 37.51 ? 71 ASP B CG 1 ATOM 494 O OD1 . ASP B 2 35 ? -17.588 -3.468 10.752 1.00 44.66 ? 71 ASP B OD1 1 ATOM 495 O OD2 . ASP B 2 35 ? -16.517 -5.361 10.878 1.00 41.79 ? 71 ASP B OD2 1 ATOM 496 N N . ARG B 2 36 ? -16.766 -7.997 11.194 1.00 27.57 ? 72 ARG B N 1 ATOM 497 C CA . ARG B 2 36 ? -15.748 -8.867 10.608 1.00 29.17 ? 72 ARG B CA 1 ATOM 498 C C . ARG B 2 36 ? -15.265 -10.058 11.447 1.00 25.87 ? 72 ARG B C 1 ATOM 499 O O . ARG B 2 36 ? -14.370 -10.772 11.015 1.00 25.40 ? 72 ARG B O 1 ATOM 500 C CB . ARG B 2 36 ? -14.535 -8.033 10.202 1.00 34.29 ? 72 ARG B CB 1 ATOM 501 C CG . ARG B 2 36 ? -14.583 -7.603 8.758 1.00 43.12 ? 72 ARG B CG 1 ATOM 502 C CD . ARG B 2 36 ? -13.252 -7.065 8.306 1.00 49.85 ? 72 ARG B CD 1 ATOM 503 N NE . ARG B 2 36 ? -12.383 -8.127 7.818 1.00 54.96 ? 72 ARG B NE 1 ATOM 504 C CZ . ARG B 2 36 ? -11.462 -7.953 6.878 1.00 58.48 ? 72 ARG B CZ 1 ATOM 505 N NH1 . ARG B 2 36 ? -11.291 -6.759 6.325 1.00 59.84 ? 72 ARG B NH1 1 ATOM 506 N NH2 . ARG B 2 36 ? -10.705 -8.970 6.495 1.00 60.79 ? 72 ARG B NH2 1 ATOM 507 N N . TRP B 2 37 ? -15.843 -10.271 12.629 1.00 25.45 ? 73 TRP B N 1 ATOM 508 C CA . TRP B 2 37 ? -15.412 -11.375 13.491 1.00 24.98 ? 73 TRP B CA 1 ATOM 509 C C . TRP B 2 37 ? -16.507 -12.352 13.921 1.00 24.52 ? 73 TRP B C 1 ATOM 510 O O . TRP B 2 37 ? -17.588 -11.953 14.367 1.00 20.69 ? 73 TRP B O 1 ATOM 511 C CB . TRP B 2 37 ? -14.712 -10.826 14.743 1.00 23.89 ? 73 TRP B CB 1 ATOM 512 C CG . TRP B 2 37 ? -13.405 -10.143 14.430 1.00 27.68 ? 73 TRP B CG 1 ATOM 513 C CD1 . TRP B 2 37 ? -13.224 -8.816 14.139 1.00 27.35 ? 73 TRP B CD1 1 ATOM 514 C CD2 . TRP B 2 37 ? -12.106 -10.747 14.366 1.00 24.95 ? 73 TRP B CD2 1 ATOM 515 N NE1 . TRP B 2 37 ? -11.901 -8.565 13.899 1.00 28.74 ? 73 TRP B NE1 1 ATOM 516 C CE2 . TRP B 2 37 ? -11.191 -9.730 14.033 1.00 28.08 ? 73 TRP B CE2 1 ATOM 517 C CE3 . TRP B 2 37 ? -11.629 -12.050 14.558 1.00 25.26 ? 73 TRP B CE3 1 ATOM 518 C CZ2 . TRP B 2 37 ? -9.818 -9.973 13.889 1.00 27.87 ? 73 TRP B CZ2 1 ATOM 519 C CZ3 . TRP B 2 37 ? -10.266 -12.293 14.414 1.00 24.97 ? 73 TRP B CZ3 1 ATOM 520 C CH2 . TRP B 2 37 ? -9.377 -11.258 14.085 1.00 27.43 ? 73 TRP B CH2 1 ATOM 521 N N . VAL B 2 38 ? -16.197 -13.640 13.792 1.00 22.95 ? 74 VAL B N 1 ATOM 522 C CA . VAL B 2 38 ? -17.104 -14.702 14.173 1.00 22.27 ? 74 VAL B CA 1 ATOM 523 C C . VAL B 2 38 ? -16.467 -15.519 15.297 1.00 21.89 ? 74 VAL B C 1 ATOM 524 O O . VAL B 2 38 ? -15.281 -15.822 15.249 1.00 22.47 ? 74 VAL B O 1 ATOM 525 C CB . VAL B 2 38 ? -17.395 -15.628 12.966 1.00 23.99 ? 74 VAL B CB 1 ATOM 526 C CG1 . VAL B 2 38 ? -18.251 -16.807 13.395 1.00 22.49 ? 74 VAL B CG1 1 ATOM 527 C CG2 . VAL B 2 38 ? -18.099 -14.834 11.871 1.00 26.10 ? 74 VAL B CG2 1 ATOM 528 N N . LEU B 2 39 ? -17.262 -15.875 16.300 1.00 19.52 ? 75 LEU B N 1 ATOM 529 C CA . LEU B 2 39 ? -16.787 -16.663 17.441 1.00 19.61 ? 75 LEU B CA 1 ATOM 530 C C . LEU B 2 39 ? -17.355 -18.082 17.334 1.00 20.27 ? 75 LEU B C 1 ATOM 531 O O . LEU B 2 39 ? -18.517 -18.252 16.974 1.00 18.83 ? 75 LEU B O 1 ATOM 532 C CB . LEU B 2 39 ? -17.255 -16.020 18.750 1.00 19.60 ? 75 LEU B CB 1 ATOM 533 C CG . LEU B 2 39 ? -16.733 -16.587 20.069 1.00 21.28 ? 75 LEU B CG 1 ATOM 534 C CD1 . LEU B 2 39 ? -15.241 -16.278 20.233 1.00 17.72 ? 75 LEU B CD1 1 ATOM 535 C CD2 . LEU B 2 39 ? -17.531 -15.943 21.193 1.00 22.99 ? 75 LEU B CD2 1 ATOM 536 N N . THR B 2 40 ? -16.536 -19.091 17.628 1.00 17.89 ? 76 THR B N 1 ATOM 537 C CA . THR B 2 40 ? -16.977 -20.486 17.563 1.00 17.99 ? 76 THR B CA 1 ATOM 538 C C . THR B 2 40 ? -16.129 -21.339 18.517 1.00 19.25 ? 76 THR B C 1 ATOM 539 O O . THR B 2 40 ? -15.302 -20.817 19.260 1.00 19.77 ? 76 THR B O 1 ATOM 540 C CB . THR B 2 40 ? -16.872 -21.041 16.114 1.00 17.96 ? 76 THR B CB 1 ATOM 541 O OG1 . THR B 2 40 ? -17.505 -22.328 16.043 1.00 17.93 ? 76 THR B OG1 1 ATOM 542 C CG2 . THR B 2 40 ? -15.418 -21.174 15.675 1.00 17.04 ? 76 THR B CG2 1 ATOM 543 N N . ALA B 2 41 ? -16.350 -22.647 18.517 1.00 20.06 ? 77 ALA B N 1 ATOM 544 C CA . ALA B 2 41 ? -15.579 -23.532 19.386 1.00 17.62 ? 77 ALA B CA 1 ATOM 545 C C . ALA B 2 41 ? -14.408 -24.072 18.585 1.00 18.97 ? 77 ALA B C 1 ATOM 546 O O . ALA B 2 41 ? -14.557 -24.406 17.398 1.00 18.89 ? 77 ALA B O 1 ATOM 547 C CB . ALA B 2 41 ? -16.443 -24.674 19.879 1.00 15.88 ? 77 ALA B CB 1 ATOM 548 N N . ALA B 2 42 ? -13.244 -24.155 19.222 1.00 17.15 ? 78 ALA B N 1 ATOM 549 C CA . ALA B 2 42 ? -12.055 -24.667 18.530 1.00 18.95 ? 78 ALA B CA 1 ATOM 550 C C . ALA B 2 42 ? -12.227 -26.113 18.023 1.00 18.94 ? 78 ALA B C 1 ATOM 551 O O . ALA B 2 42 ? -11.735 -26.466 16.950 1.00 21.02 ? 78 ALA B O 1 ATOM 552 C CB . ALA B 2 42 ? -10.829 -24.578 19.454 1.00 16.36 ? 78 ALA B CB 1 ATOM 553 N N . HIS B 2 43 ? -12.937 -26.945 18.772 1.00 17.03 ? 79 HIS B N 1 ATOM 554 C CA . HIS B 2 43 ? -13.093 -28.328 18.346 1.00 20.24 ? 79 HIS B CA 1 ATOM 555 C C . HIS B 2 43 ? -13.805 -28.459 17.003 1.00 22.91 ? 79 HIS B C 1 ATOM 556 O O . HIS B 2 43 ? -13.741 -29.508 16.362 1.00 22.69 ? 79 HIS B O 1 ATOM 557 C CB . HIS B 2 43 ? -13.807 -29.137 19.423 1.00 18.69 ? 79 HIS B CB 1 ATOM 558 C CG . HIS B 2 43 ? -15.292 -28.965 19.435 1.00 21.60 ? 79 HIS B CG 1 ATOM 559 N ND1 . HIS B 2 43 ? -15.950 -28.264 20.425 1.00 19.77 ? 79 HIS B ND1 1 ATOM 560 C CD2 . HIS B 2 43 ? -16.251 -29.436 18.602 1.00 19.89 ? 79 HIS B CD2 1 ATOM 561 C CE1 . HIS B 2 43 ? -17.251 -28.312 20.200 1.00 21.42 ? 79 HIS B CE1 1 ATOM 562 N NE2 . HIS B 2 43 ? -17.459 -29.017 19.101 1.00 20.96 ? 79 HIS B NE2 1 ATOM 563 N N . CYS B 2 44 ? -14.471 -27.387 16.576 1.00 20.87 ? 80 CYS B N 1 ATOM 564 C CA . CYS B 2 44 ? -15.170 -27.391 15.303 1.00 20.90 ? 80 CYS B CA 1 ATOM 565 C C . CYS B 2 44 ? -14.148 -27.348 14.179 1.00 21.89 ? 80 CYS B C 1 ATOM 566 O O . CYS B 2 44 ? -14.393 -27.851 13.081 1.00 23.80 ? 80 CYS B O 1 ATOM 567 C CB . CYS B 2 44 ? -16.090 -26.165 15.186 1.00 21.83 ? 80 CYS B CB 1 ATOM 568 S SG . CYS B 2 44 ? -17.619 -26.262 16.164 1.00 20.27 ? 80 CYS B SG 1 ATOM 569 N N . LEU B 2 45 ? -13.000 -26.736 14.454 1.00 21.99 ? 81 LEU B N 1 ATOM 570 C CA . LEU B 2 45 ? -11.953 -26.612 13.450 1.00 24.20 ? 81 LEU B CA 1 ATOM 571 C C . LEU B 2 45 ? -10.821 -27.633 13.617 1.00 26.29 ? 81 LEU B C 1 ATOM 572 O O . LEU B 2 45 ? -10.282 -28.154 12.626 1.00 26.14 ? 81 LEU B O 1 ATOM 573 C CB . LEU B 2 45 ? -11.348 -25.197 13.497 1.00 26.98 ? 81 LEU B CB 1 ATOM 574 C CG . LEU B 2 45 ? -12.188 -23.991 13.040 1.00 30.64 ? 81 LEU B CG 1 ATOM 575 C CD1 . LEU B 2 45 ? -13.667 -24.274 13.201 1.00 31.85 ? 81 LEU B CD1 1 ATOM 576 C CD2 . LEU B 2 45 ? -11.816 -22.771 13.859 1.00 30.39 ? 81 LEU B CD2 1 ATOM 577 N N . LEU B 2 46 ? -10.472 -27.915 14.869 1.00 22.97 ? 82 LEU B N 1 ATOM 578 C CA . LEU B 2 46 ? -9.376 -28.814 15.172 1.00 23.40 ? 82 LEU B CA 1 ATOM 579 C C . LEU B 2 46 ? -9.683 -29.807 16.278 1.00 21.86 ? 82 LEU B C 1 ATOM 580 O O . LEU B 2 46 ? -9.954 -29.434 17.423 1.00 23.48 ? 82 LEU B O 1 ATOM 581 C CB . LEU B 2 46 ? -8.143 -27.989 15.556 1.00 25.66 ? 82 LEU B CB 1 ATOM 582 C CG . LEU B 2 46 ? -6.852 -28.699 15.977 1.00 27.20 ? 82 LEU B CG 1 ATOM 583 C CD1 . LEU B 2 46 ? -6.067 -29.097 14.743 1.00 26.89 ? 82 LEU B CD1 1 ATOM 584 C CD2 . LEU B 2 46 ? -6.023 -27.769 16.848 1.00 25.51 ? 82 LEU B CD2 1 ATOM 585 N N . TYR B 2 47 ? -9.666 -31.079 15.911 1.00 21.94 ? 83 TYR B N 1 ATOM 586 C CA . TYR B 2 47 ? -9.830 -32.157 16.853 1.00 23.63 ? 83 TYR B CA 1 ATOM 587 C C . TYR B 2 47 ? -9.276 -33.428 16.247 1.00 24.15 ? 83 TYR B C 1 ATOM 588 O O . TYR B 2 47 ? -9.984 -34.211 15.627 1.00 21.56 ? 83 TYR B O 1 ATOM 589 C CB . TYR B 2 47 ? -11.324 -32.319 17.136 1.00 22.74 ? 83 TYR B CB 1 ATOM 590 C CG . TYR B 2 47 ? -11.519 -33.165 18.343 1.00 21.63 ? 83 TYR B CG 1 ATOM 591 C CD1 . TYR B 2 47 ? -10.947 -32.788 19.555 1.00 23.89 ? 83 TYR B CD1 1 ATOM 592 C CD2 . TYR B 2 47 ? -12.241 -34.356 18.262 1.00 24.14 ? 83 TYR B CD2 1 ATOM 593 C CE1 . TYR B 2 47 ? -11.088 -33.596 20.674 1.00 20.76 ? 83 TYR B CE1 1 ATOM 594 C CE2 . TYR B 2 47 ? -12.383 -35.164 19.381 1.00 25.24 ? 83 TYR B CE2 1 ATOM 595 C CZ . TYR B 2 47 ? -11.808 -34.789 20.581 1.00 22.53 ? 83 TYR B CZ 1 ATOM 596 O OH . TYR B 2 47 ? -11.935 -35.593 21.697 1.00 25.57 ? 83 TYR B OH 1 ATOM 597 N N . PRO B 2 48 ? -7.953 -33.605 16.437 1.00 25.80 ? 84 PRO B N 1 ATOM 598 C CA . PRO B 2 48 ? -7.195 -34.754 15.918 1.00 25.84 ? 84 PRO B CA 1 ATOM 599 C C . PRO B 2 48 ? -7.820 -36.128 16.165 1.00 24.70 ? 84 PRO B C 1 ATOM 600 O O . PRO B 2 48 ? -7.834 -36.968 15.276 1.00 27.89 ? 84 PRO B O 1 ATOM 601 C CB . PRO B 2 48 ? -5.817 -34.599 16.564 1.00 24.51 ? 84 PRO B CB 1 ATOM 602 C CG . PRO B 2 48 ? -5.694 -33.117 16.803 1.00 26.34 ? 84 PRO B CG 1 ATOM 603 C CD . PRO B 2 48 ? -7.090 -32.681 17.200 1.00 24.30 ? 84 PRO B CD 1 ATOM 604 N N . PRO B 2 49 ? -8.331 -36.382 17.375 1.00 24.49 ? 85 PRO B N 1 ATOM 605 C CA . PRO B 2 49 ? -8.933 -37.697 17.616 1.00 26.98 ? 85 PRO B CA 1 ATOM 606 C C . PRO B 2 49 ? -9.973 -38.118 16.578 1.00 29.96 ? 85 PRO B C 1 ATOM 607 O O . PRO B 2 49 ? -10.170 -39.311 16.351 1.00 30.57 ? 85 PRO B O 1 ATOM 608 C CB . PRO B 2 49 ? -9.537 -37.572 19.011 1.00 26.11 ? 85 PRO B CB 1 ATOM 609 C CG . PRO B 2 49 ? -8.720 -36.496 19.671 1.00 25.23 ? 85 PRO B CG 1 ATOM 610 C CD . PRO B 2 49 ? -8.351 -35.534 18.580 1.00 24.38 ? 85 PRO B CD 1 ATOM 611 N N . TRP B 2 50 ? -10.640 -37.144 15.957 1.00 30.39 ? 86 TRP B N 1 ATOM 612 C CA . TRP B 2 50 ? -11.644 -37.436 14.934 1.00 31.40 ? 86 TRP B CA 1 ATOM 613 C C . TRP B 2 50 ? -11.149 -37.009 13.563 1.00 32.21 ? 86 TRP B C 1 ATOM 614 O O . TRP B 2 50 ? -11.946 -36.788 12.652 1.00 33.72 ? 86 TRP B O 1 ATOM 615 C CB . TRP B 2 50 ? -12.963 -36.711 15.228 1.00 31.46 ? 86 TRP B CB 1 ATOM 616 C CG . TRP B 2 50 ? -13.687 -37.192 16.443 1.00 30.17 ? 86 TRP B CG 1 ATOM 617 C CD1 . TRP B 2 50 ? -13.415 -38.309 17.183 1.00 30.69 ? 86 TRP B CD1 1 ATOM 618 C CD2 . TRP B 2 50 ? -14.816 -36.567 17.061 1.00 30.61 ? 86 TRP B CD2 1 ATOM 619 N NE1 . TRP B 2 50 ? -14.303 -38.418 18.226 1.00 30.13 ? 86 TRP B NE1 1 ATOM 620 C CE2 . TRP B 2 50 ? -15.176 -37.361 18.171 1.00 29.63 ? 86 TRP B CE2 1 ATOM 621 C CE3 . TRP B 2 50 ? -15.560 -35.415 16.783 1.00 30.71 ? 86 TRP B CE3 1 ATOM 622 C CZ2 . TRP B 2 50 ? -16.248 -37.036 19.006 1.00 32.16 ? 86 TRP B CZ2 1 ATOM 623 C CZ3 . TRP B 2 50 ? -16.629 -35.093 17.613 1.00 30.21 ? 86 TRP B CZ3 1 ATOM 624 C CH2 . TRP B 2 50 ? -16.959 -35.900 18.712 1.00 29.67 ? 86 TRP B CH2 1 ATOM 625 N N . ASP B 2 51 ? -9.831 -36.880 13.432 1.00 32.73 ? 87 ASP B N 1 ATOM 626 C CA . ASP B 2 51 ? -9.191 -36.485 12.176 1.00 35.25 ? 87 ASP B CA 1 ATOM 627 C C . ASP B 2 51 ? -9.738 -35.193 11.587 1.00 34.80 ? 87 ASP B C 1 ATOM 628 O O . ASP B 2 51 ? -9.860 -35.038 10.367 1.00 32.90 ? 87 ASP B O 1 ATOM 629 C CB . ASP B 2 51 ? -9.308 -37.609 11.149 1.00 38.99 ? 87 ASP B CB 1 ATOM 630 C CG . ASP B 2 51 ? -8.305 -38.710 11.403 1.00 44.60 ? 87 ASP B CG 1 ATOM 631 O OD1 . ASP B 2 51 ? -7.099 -38.490 11.127 1.00 47.76 ? 87 ASP B OD1 1 ATOM 632 O OD2 . ASP B 2 51 ? -8.720 -39.785 11.890 1.00 45.93 ? 87 ASP B OD2 1 ATOM 633 N N . LYS B 2 52 ? -10.040 -34.258 12.474 1.00 33.78 ? 88 LYS B N 1 ATOM 634 C CA . LYS B 2 52 ? -10.574 -32.974 12.068 1.00 34.75 ? 88 LYS B CA 1 ATOM 635 C C . LYS B 2 52 ? -9.515 -31.874 12.167 1.00 33.94 ? 88 LYS B C 1 ATOM 636 O O . LYS B 2 52 ? -8.950 -31.633 13.233 1.00 32.43 ? 88 LYS B O 1 ATOM 637 C CB . LYS B 2 52 ? -11.780 -32.642 12.945 1.00 36.09 ? 88 LYS B CB 1 ATOM 638 C CG . LYS B 2 52 ? -12.308 -31.237 12.778 1.00 41.46 ? 88 LYS B CG 1 ATOM 639 C CD . LYS B 2 52 ? -13.804 -31.255 12.536 1.00 43.36 ? 88 LYS B CD 1 ATOM 640 C CE . LYS B 2 52 ? -14.584 -31.315 13.831 1.00 44.17 ? 88 LYS B CE 1 ATOM 641 N NZ . LYS B 2 52 ? -15.838 -32.086 13.630 1.00 45.79 ? 88 LYS B NZ 1 ATOM 642 N N . ASN B 2 53 ? -9.239 -31.218 11.047 1.00 35.18 ? 89 ASN B N 1 ATOM 643 C CA . ASN B 2 53 ? -8.270 -30.124 11.011 1.00 37.21 ? 89 ASN B CA 1 ATOM 644 C C . ASN B 2 53 ? -8.500 -29.264 9.771 1.00 37.27 ? 89 ASN B C 1 ATOM 645 O O . ASN B 2 53 ? -7.818 -29.419 8.758 1.00 37.10 ? 89 ASN B O 1 ATOM 646 C CB . ASN B 2 53 ? -6.844 -30.666 11.007 1.00 40.75 ? 89 ASN B CB 1 ATOM 647 C CG . ASN B 2 53 ? -5.809 -29.569 11.073 1.00 46.59 ? 89 ASN B CG 1 ATOM 648 O OD1 . ASN B 2 53 ? -6.143 -28.393 11.232 1.00 48.97 ? 89 ASN B OD1 1 ATOM 649 N ND2 . ASN B 2 53 ? -4.544 -29.955 10.946 1.00 50.98 ? 89 ASN B ND2 1 ATOM 650 N N . PHE B 2 54 ? -9.459 -28.346 9.871 1.00 36.14 ? 90 PHE B N 1 ATOM 651 C CA . PHE B 2 54 ? -9.827 -27.464 8.765 1.00 34.88 ? 90 PHE B CA 1 ATOM 652 C C . PHE B 2 54 ? -9.057 -26.142 8.692 1.00 36.34 ? 90 PHE B C 1 ATOM 653 O O . PHE B 2 54 ? -8.659 -25.584 9.712 1.00 36.02 ? 90 PHE B O 1 ATOM 654 C CB . PHE B 2 54 ? -11.314 -27.131 8.857 1.00 32.37 ? 90 PHE B CB 1 ATOM 655 C CG . PHE B 2 54 ? -12.222 -28.323 8.769 1.00 32.17 ? 90 PHE B CG 1 ATOM 656 C CD1 . PHE B 2 54 ? -12.344 -29.038 7.582 1.00 31.41 ? 90 PHE B CD1 1 ATOM 657 C CD2 . PHE B 2 54 ? -13.016 -28.684 9.852 1.00 30.77 ? 90 PHE B CD2 1 ATOM 658 C CE1 . PHE B 2 54 ? -13.247 -30.092 7.472 1.00 32.12 ? 90 PHE B CE1 1 ATOM 659 C CE2 . PHE B 2 54 ? -13.926 -29.737 9.755 1.00 31.55 ? 90 PHE B CE2 1 ATOM 660 C CZ . PHE B 2 54 ? -14.043 -30.443 8.562 1.00 32.74 ? 90 PHE B CZ 1 ATOM 661 N N . THR B 2 55 ? -8.861 -25.636 7.477 1.00 36.19 ? 91 THR B N 1 ATOM 662 C CA . THR B 2 55 ? -8.192 -24.353 7.295 1.00 37.62 ? 91 THR B CA 1 ATOM 663 C C . THR B 2 55 ? -9.169 -23.370 6.654 1.00 37.04 ? 91 THR B C 1 ATOM 664 O O . THR B 2 55 ? -10.261 -23.747 6.229 1.00 37.19 ? 91 THR B O 1 ATOM 665 C CB . THR B 2 55 ? -6.943 -24.459 6.395 1.00 38.56 ? 91 THR B CB 1 ATOM 666 O OG1 . THR B 2 55 ? -7.241 -25.252 5.244 1.00 39.92 ? 91 THR B OG1 1 ATOM 667 C CG2 . THR B 2 55 ? -5.793 -25.087 7.162 1.00 41.60 ? 91 THR B CG2 1 ATOM 668 N N . GLU B 2 56 ? -8.767 -22.108 6.596 1.00 37.04 ? 92 GLU B N 1 ATOM 669 C CA . GLU B 2 56 ? -9.589 -21.057 6.017 1.00 38.07 ? 92 GLU B CA 1 ATOM 670 C C . GLU B 2 56 ? -10.265 -21.492 4.728 1.00 38.67 ? 92 GLU B C 1 ATOM 671 O O . GLU B 2 56 ? -11.482 -21.412 4.596 1.00 39.66 ? 92 GLU B O 1 ATOM 672 C CB . GLU B 2 56 ? -8.738 -19.814 5.733 1.00 37.07 ? 92 GLU B CB 1 ATOM 673 C CG . GLU B 2 56 ? -8.169 -19.154 6.979 1.00 40.52 ? 92 GLU B CG 1 ATOM 674 C CD . GLU B 2 56 ? -6.922 -19.851 7.488 1.00 41.62 ? 92 GLU B CD 1 ATOM 675 O OE1 . GLU B 2 56 ? -6.371 -20.698 6.752 1.00 41.95 ? 92 GLU B OE1 1 ATOM 676 O OE2 . GLU B 2 56 ? -6.496 -19.550 8.625 1.00 41.87 ? 92 GLU B OE2 1 ATOM 677 N N . ASN B 2 57 ? -9.474 -21.969 3.779 1.00 40.09 ? 93 ASN B N 1 ATOM 678 C CA . ASN B 2 57 ? -10.014 -22.370 2.489 1.00 42.90 ? 93 ASN B CA 1 ATOM 679 C C . ASN B 2 57 ? -10.976 -23.546 2.499 1.00 40.89 ? 93 ASN B C 1 ATOM 680 O O . ASN B 2 57 ? -11.682 -23.767 1.525 1.00 41.38 ? 93 ASN B O 1 ATOM 681 C CB . ASN B 2 57 ? -8.870 -22.646 1.511 1.00 46.88 ? 93 ASN B CB 1 ATOM 682 C CG . ASN B 2 57 ? -8.523 -21.428 0.666 1.00 52.15 ? 93 ASN B CG 1 ATOM 683 O OD1 . ASN B 2 57 ? -8.242 -20.349 1.196 1.00 54.14 ? 93 ASN B OD1 1 ATOM 684 N ND2 . ASN B 2 57 ? -8.547 -21.593 -0.655 1.00 53.91 ? 93 ASN B ND2 1 ATOM 685 N N . ASP B 2 58 ? -11.022 -24.288 3.597 1.00 39.36 ? 94 ASP B N 1 ATOM 686 C CA . ASP B 2 58 ? -11.906 -25.442 3.686 1.00 38.76 ? 94 ASP B CA 1 ATOM 687 C C . ASP B 2 58 ? -13.381 -25.131 3.914 1.00 38.65 ? 94 ASP B C 1 ATOM 688 O O . ASP B 2 58 ? -14.237 -25.982 3.661 1.00 38.70 ? 94 ASP B O 1 ATOM 689 C CB . ASP B 2 58 ? -11.438 -26.378 4.802 1.00 42.72 ? 94 ASP B CB 1 ATOM 690 C CG . ASP B 2 58 ? -10.179 -27.137 4.434 1.00 44.35 ? 94 ASP B CG 1 ATOM 691 O OD1 . ASP B 2 58 ? -10.076 -27.584 3.271 1.00 45.72 ? 94 ASP B OD1 1 ATOM 692 O OD2 . ASP B 2 58 ? -9.297 -27.280 5.306 1.00 45.01 ? 94 ASP B OD2 1 ATOM 693 N N . LEU B 2 59 ? -13.706 -23.934 4.387 1.00 36.31 ? 95 LEU B N 1 ATOM 694 C CA . LEU B 2 59 ? -15.111 -23.675 4.641 1.00 36.82 ? 95 LEU B CA 1 ATOM 695 C C . LEU B 2 59 ? -15.675 -22.289 4.390 1.00 35.13 ? 95 LEU B C 1 ATOM 696 O O . LEU B 2 59 ? -14.968 -21.362 3.995 1.00 35.94 ? 95 LEU B O 1 ATOM 697 C CB . LEU B 2 59 ? -15.467 -24.113 6.070 1.00 39.11 ? 95 LEU B CB 1 ATOM 698 C CG . LEU B 2 59 ? -14.626 -23.687 7.281 1.00 40.52 ? 95 LEU B CG 1 ATOM 699 C CD1 . LEU B 2 59 ? -13.921 -24.901 7.843 1.00 39.91 ? 95 LEU B CD1 1 ATOM 700 C CD2 . LEU B 2 59 ? -13.626 -22.631 6.902 1.00 41.86 ? 95 LEU B CD2 1 ATOM 701 N N . LEU B 2 60 ? -16.979 -22.182 4.618 1.00 32.23 ? 96 LEU B N 1 ATOM 702 C CA . LEU B 2 60 ? -17.711 -20.940 4.437 1.00 32.78 ? 96 LEU B CA 1 ATOM 703 C C . LEU B 2 60 ? -18.563 -20.635 5.669 1.00 30.24 ? 96 LEU B C 1 ATOM 704 O O . LEU B 2 60 ? -18.932 -21.528 6.435 1.00 28.98 ? 96 LEU B O 1 ATOM 705 C CB . LEU B 2 60 ? -18.633 -21.041 3.218 1.00 32.51 ? 96 LEU B CB 1 ATOM 706 C CG . LEU B 2 60 ? -18.001 -21.167 1.832 1.00 33.91 ? 96 LEU B CG 1 ATOM 707 C CD1 . LEU B 2 60 ? -19.103 -21.369 0.798 1.00 32.42 ? 96 LEU B CD1 1 ATOM 708 C CD2 . LEU B 2 60 ? -17.197 -19.912 1.508 1.00 35.53 ? 96 LEU B CD2 1 ATOM 709 N N . VAL B 2 61 ? -18.877 -19.359 5.836 1.00 29.98 ? 97 VAL B N 1 ATOM 710 C CA . VAL B 2 61 ? -19.703 -18.890 6.935 1.00 28.76 ? 97 VAL B CA 1 ATOM 711 C C . VAL B 2 61 ? -20.993 -18.345 6.298 1.00 28.28 ? 97 VAL B C 1 ATOM 712 O O . VAL B 2 61 ? -20.926 -17.575 5.352 1.00 29.48 ? 97 VAL B O 1 ATOM 713 C CB . VAL B 2 61 ? -18.928 -17.792 7.712 1.00 29.77 ? 97 VAL B CB 1 ATOM 714 C CG1 . VAL B 2 61 ? -19.825 -16.645 8.083 1.00 30.92 ? 97 VAL B CG1 1 ATOM 715 C CG2 . VAL B 2 61 ? -18.283 -18.398 8.941 1.00 30.59 ? 97 VAL B CG2 1 ATOM 716 N N . ARG B 2 62 ? -22.155 -18.771 6.785 1.00 26.61 ? 98 ARG B N 1 ATOM 717 C CA . ARG B 2 62 ? -23.437 -18.303 6.254 1.00 25.08 ? 98 ARG B CA 1 ATOM 718 C C . ARG B 2 62 ? -24.207 -17.595 7.368 1.00 24.65 ? 98 ARG B C 1 ATOM 719 O O . ARG B 2 62 ? -24.530 -18.193 8.399 1.00 22.66 ? 98 ARG B O 1 ATOM 720 C CB . ARG B 2 62 ? -24.237 -19.478 5.699 1.00 25.66 ? 98 ARG B CB 1 ATOM 721 C CG . ARG B 2 62 ? -23.556 -20.152 4.511 1.00 25.71 ? 98 ARG B CG 1 ATOM 722 C CD . ARG B 2 62 ? -24.255 -21.425 4.129 1.00 27.34 ? 98 ARG B CD 1 ATOM 723 N NE . ARG B 2 62 ? -25.530 -21.183 3.465 1.00 27.71 ? 98 ARG B NE 1 ATOM 724 C CZ . ARG B 2 62 ? -26.221 -22.109 2.807 1.00 30.98 ? 98 ARG B CZ 1 ATOM 725 N NH1 . ARG B 2 62 ? -25.764 -23.359 2.719 1.00 32.31 ? 98 ARG B NH1 1 ATOM 726 N NH2 . ARG B 2 62 ? -27.379 -21.790 2.248 1.00 26.80 ? 98 ARG B NH2 1 ATOM 727 N N . ILE B 2 63 ? -24.485 -16.310 7.138 1.00 23.54 ? 99 ILE B N 1 ATOM 728 C CA . ILE B 2 63 ? -25.139 -15.431 8.106 1.00 24.12 ? 99 ILE B CA 1 ATOM 729 C C . ILE B 2 63 ? -26.549 -14.970 7.735 1.00 24.58 ? 99 ILE B C 1 ATOM 730 O O . ILE B 2 63 ? -26.841 -14.737 6.568 1.00 24.50 ? 99 ILE B O 1 ATOM 731 C CB . ILE B 2 63 ? -24.236 -14.188 8.320 1.00 24.23 ? 99 ILE B CB 1 ATOM 732 C CG1 . ILE B 2 63 ? -22.775 -14.642 8.404 1.00 26.82 ? 99 ILE B CG1 1 ATOM 733 C CG2 . ILE B 2 63 ? -24.637 -13.430 9.580 1.00 26.81 ? 99 ILE B CG2 1 ATOM 734 C CD1 . ILE B 2 63 ? -21.741 -13.540 8.167 1.00 27.33 ? 99 ILE B CD1 1 ATOM 735 N N . GLY B 2 64 ? -27.411 -14.839 8.746 1.00 25.34 ? 100 GLY B N 1 ATOM 736 C CA . GLY B 2 64 ? -28.782 -14.389 8.541 1.00 25.51 ? 100 GLY B CA 1 ATOM 737 C C . GLY B 2 64 ? -29.794 -15.456 8.150 1.00 26.81 ? 100 GLY B C 1 ATOM 738 O O . GLY B 2 64 ? -30.902 -15.133 7.739 1.00 25.81 ? 100 GLY B O 1 ATOM 739 N N . LYS B 2 65 ? -29.423 -16.726 8.290 1.00 25.95 ? 101 LYS B N 1 ATOM 740 C CA . LYS B 2 65 ? -30.296 -17.833 7.923 1.00 24.23 ? 101 LYS B CA 1 ATOM 741 C C . LYS B 2 65 ? -31.387 -18.201 8.916 1.00 24.20 ? 101 LYS B C 1 ATOM 742 O O . LYS B 2 65 ? -31.357 -17.843 10.097 1.00 23.75 ? 101 LYS B O 1 ATOM 743 C CB . LYS B 2 65 ? -29.463 -19.095 7.643 1.00 22.21 ? 101 LYS B CB 1 ATOM 744 C CG . LYS B 2 65 ? -28.505 -18.969 6.493 1.00 20.14 ? 101 LYS B CG 1 ATOM 745 C CD . LYS B 2 65 ? -27.896 -20.313 6.094 1.00 26.01 ? 101 LYS B CD 1 ATOM 746 C CE . LYS B 2 65 ? -28.960 -21.371 5.716 1.00 23.46 ? 101 LYS B CE 1 ATOM 747 N NZ . LYS B 2 65 ? -29.836 -20.900 4.592 1.00 28.19 ? 101 LYS B NZ 1 ATOM 748 N N . HIS B 2 66 ? -32.361 -18.942 8.410 1.00 23.58 ? 102 HIS B N 1 ATOM 749 C CA . HIS B 2 66 ? -33.453 -19.425 9.230 1.00 21.82 ? 102 HIS B CA 1 ATOM 750 C C . HIS B 2 66 ? -33.653 -20.888 8.852 1.00 23.18 ? 102 HIS B C 1 ATOM 751 O O . HIS B 2 66 ? -33.701 -21.773 9.704 1.00 22.31 ? 102 HIS B O 1 ATOM 752 C CB . HIS B 2 66 ? -34.725 -18.637 8.946 1.00 20.54 ? 102 HIS B CB 1 ATOM 753 C CG . HIS B 2 66 ? -35.890 -19.083 9.765 1.00 23.11 ? 102 HIS B CG 1 ATOM 754 N ND1 . HIS B 2 66 ? -35.868 -19.096 11.143 1.00 24.28 ? 102 HIS B ND1 1 ATOM 755 C CD2 . HIS B 2 66 ? -37.118 -19.530 9.404 1.00 24.06 ? 102 HIS B CD2 1 ATOM 756 C CE1 . HIS B 2 66 ? -37.031 -19.530 11.595 1.00 23.35 ? 102 HIS B CE1 1 ATOM 757 N NE2 . HIS B 2 66 ? -37.807 -19.800 10.561 1.00 22.86 ? 102 HIS B NE2 1 ATOM 758 N N . SER B 2 67 ? -33.771 -21.125 7.554 1.00 24.70 ? 103 SER B N 1 ATOM 759 C CA . SER B 2 67 ? -33.960 -22.471 7.029 1.00 26.44 ? 103 SER B CA 1 ATOM 760 C C . SER B 2 67 ? -32.585 -23.154 7.030 1.00 28.52 ? 103 SER B C 1 ATOM 761 O O . SER B 2 67 ? -31.566 -22.517 6.737 1.00 29.60 ? 103 SER B O 1 ATOM 762 C CB . SER B 2 67 ? -34.534 -22.379 5.610 1.00 28.29 ? 103 SER B CB 1 ATOM 763 O OG . SER B 2 67 ? -34.117 -23.448 4.788 1.00 30.91 ? 103 SER B OG 1 ATOM 764 N N . ARG B 2 68 ? -32.547 -24.440 7.374 1.00 28.61 ? 104 ARG B N 1 ATOM 765 C CA . ARG B 2 68 ? -31.283 -25.176 7.416 1.00 28.25 ? 104 ARG B CA 1 ATOM 766 C C . ARG B 2 68 ? -30.644 -25.487 6.065 1.00 29.85 ? 104 ARG B C 1 ATOM 767 O O . ARG B 2 68 ? -29.431 -25.336 5.899 1.00 28.74 ? 104 ARG B O 1 ATOM 768 C CB . ARG B 2 68 ? -31.468 -26.490 8.173 1.00 27.19 ? 104 ARG B CB 1 ATOM 769 C CG . ARG B 2 68 ? -30.199 -27.355 8.259 1.00 29.48 ? 104 ARG B CG 1 ATOM 770 C CD . ARG B 2 68 ? -30.430 -28.590 9.122 1.00 30.66 ? 104 ARG B CD 1 ATOM 771 N NE . ARG B 2 68 ? -31.457 -29.470 8.555 1.00 36.51 ? 104 ARG B NE 1 ATOM 772 C CZ . ARG B 2 68 ? -31.225 -30.425 7.651 1.00 38.38 ? 104 ARG B CZ 1 ATOM 773 N NH1 . ARG B 2 68 ? -29.993 -30.641 7.197 1.00 38.36 ? 104 ARG B NH1 1 ATOM 774 N NH2 . ARG B 2 68 ? -32.230 -31.158 7.182 1.00 37.99 ? 104 ARG B NH2 1 ATOM 775 N N . THR B 2 69 ? -31.449 -25.895 5.089 1.00 30.03 ? 105 THR B N 1 ATOM 776 C CA . THR B 2 69 ? -30.902 -26.294 3.790 1.00 33.12 ? 105 THR B CA 1 ATOM 777 C C . THR B 2 69 ? -31.122 -25.386 2.590 1.00 33.41 ? 105 THR B C 1 ATOM 778 O O . THR B 2 69 ? -30.380 -25.464 1.609 1.00 33.91 ? 105 THR B O 1 ATOM 779 C CB . THR B 2 69 ? -31.432 -27.668 3.412 1.00 34.26 ? 105 THR B CB 1 ATOM 780 O OG1 . THR B 2 69 ? -32.864 -27.606 3.343 1.00 36.09 ? 105 THR B OG1 1 ATOM 781 C CG2 . THR B 2 69 ? -31.019 -28.701 4.468 1.00 36.08 ? 105 THR B CG2 1 ATOM 782 N N . ARG B 2 70 ? -32.121 -24.522 2.649 1.00 32.87 ? 106 ARG B N 1 ATOM 783 C CA . ARG B 2 70 ? -32.373 -23.660 1.514 1.00 35.23 ? 106 ARG B CA 1 ATOM 784 C C . ARG B 2 70 ? -31.406 -22.488 1.411 1.00 34.48 ? 106 ARG B C 1 ATOM 785 O O . ARG B 2 70 ? -30.963 -21.953 2.422 1.00 35.20 ? 106 ARG B O 1 ATOM 786 C CB . ARG B 2 70 ? -33.800 -23.123 1.586 1.00 37.68 ? 106 ARG B CB 1 ATOM 787 C CG . ARG B 2 70 ? -34.371 -22.772 0.229 1.00 42.64 ? 106 ARG B CG 1 ATOM 788 C CD . ARG B 2 70 ? -34.237 -21.291 -0.071 0.01 41.13 ? 106 ARG B CD 1 ATOM 789 N NE . ARG B 2 70 ? -33.469 -21.047 -1.287 0.01 41.61 ? 106 ARG B NE 1 ATOM 790 C CZ . ARG B 2 70 ? -33.987 -20.980 -2.508 0.01 41.47 ? 106 ARG B CZ 1 ATOM 791 N NH1 . ARG B 2 70 ? -35.290 -21.140 -2.692 0.01 41.42 ? 106 ARG B NH1 1 ATOM 792 N NH2 . ARG B 2 70 ? -33.200 -20.735 -3.548 0.01 41.56 ? 106 ARG B NH2 1 ATOM 793 N N . TYR B 2 71 ? -31.063 -22.102 0.185 1.00 33.14 ? 107 TYR B N 1 ATOM 794 C CA . TYR B 2 71 ? -30.198 -20.946 -0.010 1.00 33.97 ? 107 TYR B CA 1 ATOM 795 C C . TYR B 2 71 ? -31.174 -19.771 0.010 1.00 34.03 ? 107 TYR B C 1 ATOM 796 O O . TYR B 2 71 ? -31.838 -19.491 -0.982 1.00 35.89 ? 107 TYR B O 1 ATOM 797 C CB . TYR B 2 71 ? -29.483 -20.998 -1.357 1.00 35.31 ? 107 TYR B CB 1 ATOM 798 C CG . TYR B 2 71 ? -28.830 -19.683 -1.714 1.00 37.64 ? 107 TYR B CG 1 ATOM 799 C CD1 . TYR B 2 71 ? -27.784 -19.172 -0.945 1.00 39.07 ? 107 TYR B CD1 1 ATOM 800 C CD2 . TYR B 2 71 ? -29.281 -18.932 -2.796 1.00 38.99 ? 107 TYR B CD2 1 ATOM 801 C CE1 . TYR B 2 71 ? -27.203 -17.943 -1.244 1.00 41.44 ? 107 TYR B CE1 1 ATOM 802 C CE2 . TYR B 2 71 ? -28.710 -17.700 -3.107 1.00 40.50 ? 107 TYR B CE2 1 ATOM 803 C CZ . TYR B 2 71 ? -27.673 -17.212 -2.330 1.00 43.43 ? 107 TYR B CZ 1 ATOM 804 O OH . TYR B 2 71 ? -27.096 -16.006 -2.651 1.00 46.25 ? 107 TYR B OH 1 ATOM 805 N N . GLU B 2 72 ? -31.263 -19.101 1.152 1.00 32.92 ? 108 GLU B N 1 ATOM 806 C CA . GLU B 2 72 ? -32.187 -17.992 1.342 1.00 30.67 ? 108 GLU B CA 1 ATOM 807 C C . GLU B 2 72 ? -31.832 -16.674 0.628 1.00 31.05 ? 108 GLU B C 1 ATOM 808 O O . GLU B 2 72 ? -31.372 -15.703 1.237 1.00 30.52 ? 108 GLU B O 1 ATOM 809 C CB . GLU B 2 72 ? -32.389 -17.812 2.853 1.00 29.14 ? 108 GLU B CB 1 ATOM 810 C CG . GLU B 2 72 ? -32.942 -19.103 3.490 1.00 26.27 ? 108 GLU B CG 1 ATOM 811 C CD . GLU B 2 72 ? -32.983 -19.087 5.005 1.00 25.44 ? 108 GLU B CD 1 ATOM 812 O OE1 . GLU B 2 72 ? -34.088 -18.911 5.562 1.00 26.04 ? 108 GLU B OE1 1 ATOM 813 O OE2 . GLU B 2 72 ? -31.923 -19.266 5.644 1.00 25.60 ? 108 GLU B OE2 1 ATOM 814 N N . ARG B 2 73 ? -32.087 -16.677 -0.683 1.00 30.57 ? 109 ARG B N 1 ATOM 815 C CA . ARG B 2 73 ? -31.843 -15.561 -1.605 1.00 30.08 ? 109 ARG B CA 1 ATOM 816 C C . ARG B 2 73 ? -32.300 -14.196 -1.069 1.00 27.91 ? 109 ARG B C 1 ATOM 817 O O . ARG B 2 73 ? -33.399 -14.064 -0.527 1.00 26.90 ? 109 ARG B O 1 ATOM 818 C CB . ARG B 2 73 ? -32.547 -15.868 -2.944 1.00 29.84 ? 109 ARG B CB 1 ATOM 819 C CG . ARG B 2 73 ? -32.155 -14.972 -4.120 1.00 32.47 ? 109 ARG B CG 1 ATOM 820 C CD . ARG B 2 73 ? -32.511 -15.589 -5.501 1.00 30.64 ? 109 ARG B CD 1 ATOM 821 N NE . ARG B 2 73 ? -33.847 -16.195 -5.550 1.00 31.38 ? 109 ARG B NE 1 ATOM 822 C CZ . ARG B 2 73 ? -34.900 -15.659 -6.167 1.00 30.20 ? 109 ARG B CZ 1 ATOM 823 N NH1 . ARG B 2 73 ? -34.793 -14.492 -6.800 1.00 27.92 ? 109 ARG B NH1 1 ATOM 824 N NH2 . ARG B 2 73 ? -36.071 -16.290 -6.147 1.00 26.11 ? 109 ARG B NH2 1 ATOM 825 N N . ASN B 2 74 ? -31.441 -13.191 -1.230 1.00 27.58 ? 110 ASN B N 1 ATOM 826 C CA . ASN B 2 74 ? -31.699 -11.815 -0.787 1.00 26.37 ? 110 ASN B CA 1 ATOM 827 C C . ASN B 2 74 ? -31.764 -11.634 0.733 1.00 27.45 ? 110 ASN B C 1 ATOM 828 O O . ASN B 2 74 ? -31.957 -10.516 1.213 1.00 27.16 ? 110 ASN B O 1 ATOM 829 C CB . ASN B 2 74 ? -33.000 -11.281 -1.406 1.00 26.37 ? 110 ASN B CB 1 ATOM 830 C CG . ASN B 2 74 ? -32.890 -11.048 -2.906 1.00 25.66 ? 110 ASN B CG 1 ATOM 831 O OD1 . ASN B 2 74 ? -31.943 -11.490 -3.545 1.00 26.88 ? 110 ASN B OD1 1 ATOM 832 N ND2 . ASN B 2 74 ? -33.873 -10.352 -3.473 1.00 30.54 ? 110 ASN B ND2 1 ATOM 833 N N . ILE B 2 75 ? -31.612 -12.717 1.490 1.00 26.34 ? 111 ILE B N 1 ATOM 834 C CA . ILE B 2 75 ? -31.662 -12.620 2.949 1.00 24.84 ? 111 ILE B CA 1 ATOM 835 C C . ILE B 2 75 ? -30.316 -12.975 3.575 1.00 25.78 ? 111 ILE B C 1 ATOM 836 O O . ILE B 2 75 ? -29.698 -12.143 4.248 1.00 24.37 ? 111 ILE B O 1 ATOM 837 C CB . ILE B 2 75 ? -32.779 -13.519 3.521 1.00 22.69 ? 111 ILE B CB 1 ATOM 838 C CG1 . ILE B 2 75 ? -34.145 -12.953 3.094 1.00 25.19 ? 111 ILE B CG1 1 ATOM 839 C CG2 . ILE B 2 75 ? -32.711 -13.559 5.055 1.00 22.49 ? 111 ILE B CG2 1 ATOM 840 C CD1 . ILE B 2 75 ? -35.320 -13.836 3.431 1.00 25.08 ? 111 ILE B CD1 1 ATOM 841 N N . GLU B 2 76 ? -29.849 -14.196 3.330 1.00 25.67 ? 112 GLU B N 1 ATOM 842 C CA . GLU B 2 76 ? -28.573 -14.646 3.877 1.00 27.15 ? 112 GLU B CA 1 ATOM 843 C C . GLU B 2 76 ? -27.372 -14.115 3.108 1.00 28.35 ? 112 GLU B C 1 ATOM 844 O O . GLU B 2 76 ? -27.473 -13.756 1.936 1.00 29.07 ? 112 GLU B O 1 ATOM 845 C CB . GLU B 2 76 ? -28.520 -16.181 3.932 1.00 27.23 ? 112 GLU B CB 1 ATOM 846 C CG . GLU B 2 76 ? -28.274 -16.891 2.597 1.00 25.43 ? 112 GLU B CG 1 ATOM 847 C CD . GLU B 2 76 ? -27.973 -18.378 2.773 1.00 27.67 ? 112 GLU B CD 1 ATOM 848 O OE1 . GLU B 2 76 ? -28.894 -19.208 2.641 1.00 27.17 ? 112 GLU B OE1 1 ATOM 849 O OE2 . GLU B 2 76 ? -26.806 -18.722 3.048 1.00 26.56 ? 112 GLU B OE2 1 ATOM 850 N N . LYS B 2 77 ? -26.243 -14.038 3.802 1.00 28.92 ? 113 LYS B N 1 ATOM 851 C CA . LYS B 2 77 ? -24.977 -13.595 3.233 1.00 30.72 ? 113 LYS B CA 1 ATOM 852 C C . LYS B 2 77 ? -23.966 -14.715 3.488 1.00 31.44 ? 113 LYS B C 1 ATOM 853 O O . LYS B 2 77 ? -23.887 -15.256 4.594 1.00 29.78 ? 113 LYS B O 1 ATOM 854 C CB . LYS B 2 77 ? -24.479 -12.324 3.926 1.00 31.09 ? 113 LYS B CB 1 ATOM 855 C CG . LYS B 2 77 ? -25.409 -11.136 3.809 1.00 37.34 ? 113 LYS B CG 1 ATOM 856 C CD . LYS B 2 77 ? -25.531 -10.662 2.374 1.00 42.18 ? 113 LYS B CD 1 ATOM 857 C CE . LYS B 2 77 ? -26.823 -9.883 2.180 1.00 45.90 ? 113 LYS B CE 1 ATOM 858 N NZ . LYS B 2 77 ? -26.741 -8.956 1.027 1.00 49.48 ? 113 LYS B NZ 1 ATOM 859 N N . ILE B 2 78 ? -23.208 -15.068 2.461 1.00 31.82 ? 114 ILE B N 1 ATOM 860 C CA . ILE B 2 78 ? -22.185 -16.104 2.575 1.00 33.03 ? 114 ILE B CA 1 ATOM 861 C C . ILE B 2 78 ? -20.838 -15.389 2.543 1.00 34.46 ? 114 ILE B C 1 ATOM 862 O O . ILE B 2 78 ? -20.610 -14.536 1.684 1.00 35.39 ? 114 ILE B O 1 ATOM 863 C CB . ILE B 2 78 ? -22.271 -17.100 1.398 1.00 34.01 ? 114 ILE B CB 1 ATOM 864 C CG1 . ILE B 2 78 ? -23.630 -17.806 1.428 1.00 34.75 ? 114 ILE B CG1 1 ATOM 865 C CG2 . ILE B 2 78 ? -21.132 -18.116 1.483 1.00 34.22 ? 114 ILE B CG2 1 ATOM 866 C CD1 . ILE B 2 78 ? -23.866 -18.768 0.289 1.00 34.99 ? 114 ILE B CD1 1 ATOM 867 N N . SER B 2 79 ? -19.955 -15.714 3.482 1.00 34.08 ? 115 SER B N 1 ATOM 868 C CA . SER B 2 79 ? -18.646 -15.069 3.546 1.00 36.11 ? 115 SER B CA 1 ATOM 869 C C . SER B 2 79 ? -17.493 -16.059 3.561 1.00 36.79 ? 115 SER B C 1 ATOM 870 O O . SER B 2 79 ? -17.643 -17.202 3.993 1.00 34.10 ? 115 SER B O 1 ATOM 871 C CB . SER B 2 79 ? -18.538 -14.203 4.803 1.00 37.96 ? 115 SER B CB 1 ATOM 872 O OG . SER B 2 79 ? -19.315 -13.029 4.693 1.00 44.49 ? 115 SER B OG 1 ATOM 873 N N . MET B 2 80 ? -16.338 -15.596 3.094 1.00 37.70 ? 116 MET B N 1 ATOM 874 C CA . MET B 2 80 ? -15.136 -16.410 3.064 1.00 39.06 ? 116 MET B CA 1 ATOM 875 C C . MET B 2 80 ? -14.261 -15.967 4.224 1.00 38.14 ? 116 MET B C 1 ATOM 876 O O . MET B 2 80 ? -14.334 -14.818 4.671 1.00 37.37 ? 116 MET B O 1 ATOM 877 C CB . MET B 2 80 ? -14.383 -16.214 1.752 1.00 42.70 ? 116 MET B CB 1 ATOM 878 C CG . MET B 2 80 ? -14.864 -17.098 0.612 1.00 48.37 ? 116 MET B CG 1 ATOM 879 S SD . MET B 2 80 ? -14.123 -16.631 -0.983 1.00 57.42 ? 116 MET B SD 1 ATOM 880 C CE . MET B 2 80 ? -14.129 -14.834 -0.849 1.00 56.50 ? 116 MET B CE 1 ATOM 881 N N . LEU B 2 81 ? -13.424 -16.878 4.700 1.00 36.89 ? 117 LEU B N 1 ATOM 882 C CA . LEU B 2 81 ? -12.543 -16.591 5.820 1.00 36.63 ? 117 LEU B CA 1 ATOM 883 C C . LEU B 2 81 ? -11.175 -16.120 5.396 1.00 36.47 ? 117 LEU B C 1 ATOM 884 O O . LEU B 2 81 ? -10.629 -16.587 4.405 1.00 36.73 ? 117 LEU B O 1 ATOM 885 C CB . LEU B 2 81 ? -12.386 -17.834 6.691 1.00 36.69 ? 117 LEU B CB 1 ATOM 886 C CG . LEU B 2 81 ? -13.698 -18.310 7.295 1.00 36.93 ? 117 LEU B CG 1 ATOM 887 C CD1 . LEU B 2 81 ? -13.482 -19.621 8.030 1.00 40.70 ? 117 LEU B CD1 1 ATOM 888 C CD2 . LEU B 2 81 ? -14.228 -17.236 8.225 1.00 38.69 ? 117 LEU B CD2 1 ATOM 889 N N . GLU B 2 82 ? -10.624 -15.197 6.172 1.00 36.75 ? 118 GLU B N 1 ATOM 890 C CA . GLU B 2 82 ? -9.309 -14.654 5.909 1.00 38.12 ? 118 GLU B CA 1 ATOM 891 C C . GLU B 2 82 ? -8.286 -15.338 6.812 1.00 37.84 ? 118 GLU B C 1 ATOM 892 O O . GLU B 2 82 ? -7.179 -15.658 6.385 1.00 37.97 ? 118 GLU B O 1 ATOM 893 C CB . GLU B 2 82 ? -9.312 -13.153 6.168 1.00 39.48 ? 118 GLU B CB 1 ATOM 894 C CG . GLU B 2 82 ? -8.044 -12.457 5.742 1.00 46.49 ? 118 GLU B CG 1 ATOM 895 C CD . GLU B 2 82 ? -7.873 -11.123 6.431 1.00 50.86 ? 118 GLU B CD 1 ATOM 896 O OE1 . GLU B 2 82 ? -6.745 -10.594 6.455 1.00 55.18 ? 118 GLU B OE1 1 ATOM 897 O OE2 . GLU B 2 82 ? -8.872 -10.595 6.961 1.00 55.74 ? 118 GLU B OE2 1 ATOM 898 N N . LYS B 2 83 ? -8.658 -15.550 8.069 1.00 37.12 ? 119 LYS B N 1 ATOM 899 C CA . LYS B 2 83 ? -7.774 -16.210 9.022 1.00 35.45 ? 119 LYS B CA 1 ATOM 900 C C . LYS B 2 83 ? -8.538 -16.785 10.203 1.00 34.71 ? 119 LYS B C 1 ATOM 901 O O . LYS B 2 83 ? -9.578 -16.260 10.610 1.00 34.16 ? 119 LYS B O 1 ATOM 902 C CB . LYS B 2 83 ? -6.701 -15.245 9.533 1.00 36.25 ? 119 LYS B CB 1 ATOM 903 C CG . LYS B 2 83 ? -5.380 -15.928 9.865 1.00 34.26 ? 119 LYS B CG 1 ATOM 904 C CD . LYS B 2 83 ? -4.648 -16.362 8.607 0.01 34.87 ? 119 LYS B CD 1 ATOM 905 C CE . LYS B 2 83 ? -4.336 -15.171 7.715 0.01 34.66 ? 119 LYS B CE 1 ATOM 906 N NZ . LYS B 2 83 ? -3.421 -15.535 6.601 0.01 34.85 ? 119 LYS B NZ 1 ATOM 907 N N . ILE B 2 84 ? -8.007 -17.877 10.740 1.00 33.67 ? 120 ILE B N 1 ATOM 908 C CA . ILE B 2 84 ? -8.593 -18.567 11.883 1.00 31.90 ? 120 ILE B CA 1 ATOM 909 C C . ILE B 2 84 ? -7.613 -18.487 13.047 1.00 30.55 ? 120 ILE B C 1 ATOM 910 O O . ILE B 2 84 ? -6.410 -18.648 12.859 1.00 31.14 ? 120 ILE B O 1 ATOM 911 C CB . ILE B 2 84 ? -8.831 -20.056 11.561 1.00 32.56 ? 120 ILE B CB 1 ATOM 912 C CG1 . ILE B 2 84 ? -10.038 -20.205 10.639 1.00 34.91 ? 120 ILE B CG1 1 ATOM 913 C CG2 . ILE B 2 84 ? -9.042 -20.844 12.844 1.00 33.37 ? 120 ILE B CG2 1 ATOM 914 C CD1 . ILE B 2 84 ? -10.275 -21.640 10.191 1.00 34.88 ? 120 ILE B CD1 1 ATOM 915 N N . TYR B 2 85 ? -8.123 -18.242 14.246 1.00 28.48 ? 121 TYR B N 1 ATOM 916 C CA . TYR B 2 85 ? -7.276 -18.169 15.424 1.00 27.75 ? 121 TYR B CA 1 ATOM 917 C C . TYR B 2 85 ? -7.790 -19.100 16.496 1.00 28.03 ? 121 TYR B C 1 ATOM 918 O O . TYR B 2 85 ? -8.894 -18.916 17.020 1.00 29.69 ? 121 TYR B O 1 ATOM 919 C CB . TYR B 2 85 ? -7.236 -16.753 15.987 1.00 29.86 ? 121 TYR B CB 1 ATOM 920 C CG . TYR B 2 85 ? -6.717 -15.747 14.997 1.00 34.54 ? 121 TYR B CG 1 ATOM 921 C CD1 . TYR B 2 85 ? -7.557 -15.209 14.028 1.00 35.53 ? 121 TYR B CD1 1 ATOM 922 C CD2 . TYR B 2 85 ? -5.382 -15.364 15.005 1.00 32.95 ? 121 TYR B CD2 1 ATOM 923 C CE1 . TYR B 2 85 ? -7.079 -14.314 13.088 1.00 41.06 ? 121 TYR B CE1 1 ATOM 924 C CE2 . TYR B 2 85 ? -4.893 -14.472 14.071 1.00 38.97 ? 121 TYR B CE2 1 ATOM 925 C CZ . TYR B 2 85 ? -5.744 -13.952 13.113 1.00 40.04 ? 121 TYR B CZ 1 ATOM 926 O OH . TYR B 2 85 ? -5.264 -13.090 12.165 1.00 44.40 ? 121 TYR B OH 1 ATOM 927 N N . ILE B 2 86 ? -6.989 -20.103 16.825 1.00 24.40 ? 122 ILE B N 1 ATOM 928 C CA . ILE B 2 86 ? -7.359 -21.055 17.853 1.00 23.65 ? 122 ILE B CA 1 ATOM 929 C C . ILE B 2 86 ? -6.584 -20.698 19.107 1.00 22.99 ? 122 ILE B C 1 ATOM 930 O O . ILE B 2 86 ? -5.425 -20.326 19.035 1.00 23.03 ? 122 ILE B O 1 ATOM 931 C CB . ILE B 2 86 ? -7.040 -22.486 17.390 1.00 23.59 ? 122 ILE B CB 1 ATOM 932 C CG1 . ILE B 2 86 ? -8.057 -22.885 16.321 1.00 27.04 ? 122 ILE B CG1 1 ATOM 933 C CG2 . ILE B 2 86 ? -7.104 -23.463 18.564 1.00 21.09 ? 122 ILE B CG2 1 ATOM 934 C CD1 . ILE B 2 86 ? -7.479 -23.607 15.160 1.00 29.27 ? 122 ILE B CD1 1 ATOM 935 N N . HIS B 2 87 ? -7.232 -20.779 20.261 1.00 23.18 ? 123 HIS B N 1 ATOM 936 C CA . HIS B 2 87 ? -6.552 -20.444 21.500 1.00 24.00 ? 123 HIS B CA 1 ATOM 937 C C . HIS B 2 87 ? -5.289 -21.286 21.642 1.00 25.00 ? 123 HIS B C 1 ATOM 938 O O . HIS B 2 87 ? -5.327 -22.509 21.489 1.00 21.18 ? 123 HIS B O 1 ATOM 939 C CB . HIS B 2 87 ? -7.460 -20.688 22.696 1.00 24.44 ? 123 HIS B CB 1 ATOM 940 C CG . HIS B 2 87 ? -6.929 -20.112 23.971 1.00 26.85 ? 123 HIS B CG 1 ATOM 941 N ND1 . HIS B 2 87 ? -5.833 -20.638 24.619 1.00 25.71 ? 123 HIS B ND1 1 ATOM 942 C CD2 . HIS B 2 87 ? -7.319 -19.042 24.698 1.00 26.39 ? 123 HIS B CD2 1 ATOM 943 C CE1 . HIS B 2 87 ? -5.570 -19.916 25.693 1.00 26.21 ? 123 HIS B CE1 1 ATOM 944 N NE2 . HIS B 2 87 ? -6.456 -18.940 25.765 1.00 27.47 ? 123 HIS B NE2 1 ATOM 945 N N . PRO B 2 88 ? -4.150 -20.633 21.918 1.00 25.32 ? 124 PRO B N 1 ATOM 946 C CA . PRO B 2 88 ? -2.850 -21.290 22.088 1.00 25.18 ? 124 PRO B CA 1 ATOM 947 C C . PRO B 2 88 ? -2.863 -22.455 23.079 1.00 25.70 ? 124 PRO B C 1 ATOM 948 O O . PRO B 2 88 ? -2.122 -23.409 22.911 1.00 24.86 ? 124 PRO B O 1 ATOM 949 C CB . PRO B 2 88 ? -1.932 -20.156 22.568 1.00 27.26 ? 124 PRO B CB 1 ATOM 950 C CG . PRO B 2 88 ? -2.871 -19.056 23.014 1.00 27.77 ? 124 PRO B CG 1 ATOM 951 C CD . PRO B 2 88 ? -4.038 -19.175 22.088 1.00 26.34 ? 124 PRO B CD 1 ATOM 952 N N . ARG B 2 89 ? -3.708 -22.370 24.100 1.00 24.70 ? 125 ARG B N 1 ATOM 953 C CA . ARG B 2 89 ? -3.783 -23.396 25.129 1.00 25.15 ? 125 ARG B CA 1 ATOM 954 C C . ARG B 2 89 ? -5.047 -24.253 25.094 1.00 24.09 ? 125 ARG B C 1 ATOM 955 O O . ARG B 2 89 ? -5.484 -24.788 26.117 1.00 22.22 ? 125 ARG B O 1 ATOM 956 C CB . ARG B 2 89 ? -3.646 -22.745 26.501 1.00 27.62 ? 125 ARG B CB 1 ATOM 957 C CG . ARG B 2 89 ? -2.360 -21.948 26.663 1.00 33.81 ? 125 ARG B CG 1 ATOM 958 C CD . ARG B 2 89 ? -1.602 -22.400 27.895 1.00 37.07 ? 125 ARG B CD 1 ATOM 959 N NE . ARG B 2 89 ? -1.983 -21.609 29.056 1.00 39.36 ? 125 ARG B NE 1 ATOM 960 C CZ . ARG B 2 89 ? -1.954 -22.048 30.312 1.00 40.61 ? 125 ARG B CZ 1 ATOM 961 N NH1 . ARG B 2 89 ? -1.558 -23.288 30.587 1.00 38.95 ? 125 ARG B NH1 1 ATOM 962 N NH2 . ARG B 2 89 ? -2.332 -21.242 31.292 1.00 40.49 ? 125 ARG B NH2 1 ATOM 963 N N . TYR B 2 90 ? -5.642 -24.364 23.913 1.00 23.58 ? 126 TYR B N 1 ATOM 964 C CA . TYR B 2 90 ? -6.821 -25.196 23.724 1.00 21.96 ? 126 TYR B CA 1 ATOM 965 C C . TYR B 2 90 ? -6.372 -26.634 24.076 1.00 21.66 ? 126 TYR B C 1 ATOM 966 O O . TYR B 2 90 ? -5.451 -27.167 23.465 1.00 21.71 ? 126 TYR B O 1 ATOM 967 C CB . TYR B 2 90 ? -7.238 -25.088 22.255 1.00 21.32 ? 126 TYR B CB 1 ATOM 968 C CG . TYR B 2 90 ? -8.107 -26.193 21.707 1.00 21.74 ? 126 TYR B CG 1 ATOM 969 C CD1 . TYR B 2 90 ? -9.240 -26.636 22.391 1.00 19.75 ? 126 TYR B CD1 1 ATOM 970 C CD2 . TYR B 2 90 ? -7.826 -26.755 20.459 1.00 22.60 ? 126 TYR B CD2 1 ATOM 971 C CE1 . TYR B 2 90 ? -10.072 -27.611 21.837 1.00 23.70 ? 126 TYR B CE1 1 ATOM 972 C CE2 . TYR B 2 90 ? -8.645 -27.721 19.904 1.00 22.77 ? 126 TYR B CE2 1 ATOM 973 C CZ . TYR B 2 90 ? -9.764 -28.143 20.588 1.00 21.99 ? 126 TYR B CZ 1 ATOM 974 O OH . TYR B 2 90 ? -10.584 -29.072 19.991 1.00 25.39 ? 126 TYR B OH 1 ATOM 975 N N . ASN B 2 91 ? -7.003 -27.252 25.065 1.00 22.89 ? 127 ASN B N 1 ATOM 976 C CA . ASN B 2 91 ? -6.619 -28.607 25.469 1.00 22.37 ? 127 ASN B CA 1 ATOM 977 C C . ASN B 2 91 ? -7.473 -29.721 24.860 1.00 22.45 ? 127 ASN B C 1 ATOM 978 O O . ASN B 2 91 ? -8.338 -30.291 25.526 1.00 23.11 ? 127 ASN B O 1 ATOM 979 C CB . ASN B 2 91 ? -6.650 -28.710 26.992 1.00 24.90 ? 127 ASN B CB 1 ATOM 980 C CG . ASN B 2 91 ? -6.042 -30.008 27.503 1.00 28.58 ? 127 ASN B CG 1 ATOM 981 O OD1 . ASN B 2 91 ? -5.737 -30.910 26.726 1.00 25.65 ? 127 ASN B OD1 1 ATOM 982 N ND2 . ASN B 2 91 ? -5.869 -30.105 28.814 1.00 26.29 ? 127 ASN B ND2 1 ATOM 983 N N . TRP B 2 92 ? -7.209 -30.050 23.603 1.00 22.44 ? 128 TRP B N 1 ATOM 984 C CA . TRP B 2 92 ? -7.969 -31.086 22.920 1.00 25.36 ? 128 TRP B CA 1 ATOM 985 C C . TRP B 2 92 ? -7.631 -32.524 23.316 1.00 28.50 ? 128 TRP B C 1 ATOM 986 O O . TRP B 2 92 ? -8.393 -33.430 23.007 1.00 29.28 ? 128 TRP B O 1 ATOM 987 C CB . TRP B 2 92 ? -7.808 -30.944 21.407 1.00 22.67 ? 128 TRP B CB 1 ATOM 988 C CG . TRP B 2 92 ? -6.392 -30.995 20.906 1.00 24.71 ? 128 TRP B CG 1 ATOM 989 C CD1 . TRP B 2 92 ? -5.590 -29.926 20.622 1.00 25.36 ? 128 TRP B CD1 1 ATOM 990 C CD2 . TRP B 2 92 ? -5.620 -32.173 20.589 1.00 23.24 ? 128 TRP B CD2 1 ATOM 991 N NE1 . TRP B 2 92 ? -4.373 -30.361 20.149 1.00 25.15 ? 128 TRP B NE1 1 ATOM 992 C CE2 . TRP B 2 92 ? -4.362 -31.733 20.117 1.00 24.37 ? 128 TRP B CE2 1 ATOM 993 C CE3 . TRP B 2 92 ? -5.876 -33.557 20.658 1.00 23.17 ? 128 TRP B CE3 1 ATOM 994 C CZ2 . TRP B 2 92 ? -3.345 -32.629 19.713 1.00 24.95 ? 128 TRP B CZ2 1 ATOM 995 C CZ3 . TRP B 2 92 ? -4.866 -34.453 20.254 1.00 24.14 ? 128 TRP B CZ3 1 ATOM 996 C CH2 . TRP B 2 92 ? -3.616 -33.979 19.789 1.00 25.98 ? 128 TRP B CH2 1 ATOM 997 N N . ARG B 2 93 ? -6.505 -32.737 23.994 1.00 30.03 ? 129 ARG B N 1 ATOM 998 C CA . ARG B 2 93 ? -6.104 -34.089 24.389 1.00 31.85 ? 129 ARG B CA 1 ATOM 999 C C . ARG B 2 93 ? -6.867 -34.632 25.574 1.00 32.33 ? 129 ARG B C 1 ATOM 1000 O O . ARG B 2 93 ? -7.148 -35.826 25.640 1.00 32.89 ? 129 ARG B O 1 ATOM 1001 C CB . ARG B 2 93 ? -4.613 -34.147 24.726 1.00 33.22 ? 129 ARG B CB 1 ATOM 1002 C CG . ARG B 2 93 ? -3.728 -33.397 23.765 1.00 34.47 ? 129 ARG B CG 1 ATOM 1003 C CD . ARG B 2 93 ? -2.283 -33.649 24.062 1.00 38.47 ? 129 ARG B CD 1 ATOM 1004 N NE . ARG B 2 93 ? -1.818 -34.760 23.257 1.00 43.37 ? 129 ARG B NE 1 ATOM 1005 C CZ . ARG B 2 93 ? -0.988 -34.643 22.231 1.00 44.92 ? 129 ARG B CZ 1 ATOM 1006 N NH1 . ARG B 2 93 ? -0.520 -33.449 21.879 1.00 45.10 ? 129 ARG B NH1 1 ATOM 1007 N NH2 . ARG B 2 93 ? -0.661 -35.716 21.533 1.00 44.53 ? 129 ARG B NH2 1 ATOM 1008 N N . GLU B 2 94 ? -7.212 -33.761 26.509 1.00 32.27 ? 130 GLU B N 1 ATOM 1009 C CA . GLU B 2 94 ? -7.913 -34.215 27.695 1.00 33.49 ? 130 GLU B CA 1 ATOM 1010 C C . GLU B 2 94 ? -9.380 -33.819 27.906 1.00 32.91 ? 130 GLU B C 1 ATOM 1011 O O . GLU B 2 94 ? -10.259 -34.677 27.862 1.00 32.72 ? 130 GLU B O 1 ATOM 1012 C CB . GLU B 2 94 ? -7.121 -33.807 28.933 1.00 34.10 ? 130 GLU B CB 1 ATOM 1013 C CG . GLU B 2 94 ? -7.789 -34.199 30.236 1.00 39.06 ? 130 GLU B CG 1 ATOM 1014 C CD . GLU B 2 94 ? -7.364 -33.316 31.402 1.00 41.99 ? 130 GLU B CD 1 ATOM 1015 O OE1 . GLU B 2 94 ? -6.502 -32.428 31.199 1.00 43.87 ? 130 GLU B OE1 1 ATOM 1016 O OE2 . GLU B 2 94 ? -7.892 -33.510 32.519 1.00 42.82 ? 130 GLU B OE2 1 ATOM 1017 N N . ASN B 2 95 ? -9.649 -32.532 28.134 1.00 29.24 ? 131 ASN B N 1 ATOM 1018 C CA . ASN B 2 95 ? -11.013 -32.093 28.441 1.00 23.75 ? 131 ASN B CA 1 ATOM 1019 C C . ASN B 2 95 ? -11.641 -30.958 27.605 1.00 23.03 ? 131 ASN B C 1 ATOM 1020 O O . ASN B 2 95 ? -12.703 -30.453 27.968 1.00 22.93 ? 131 ASN B O 1 ATOM 1021 C CB . ASN B 2 95 ? -11.047 -31.691 29.914 1.00 19.08 ? 131 ASN B CB 1 ATOM 1022 C CG . ASN B 2 95 ? -9.991 -30.653 30.244 1.00 21.01 ? 131 ASN B CG 1 ATOM 1023 O OD1 . ASN B 2 95 ? -9.265 -30.194 29.354 1.00 21.69 ? 131 ASN B OD1 1 ATOM 1024 N ND2 . ASN B 2 95 ? -9.898 -30.270 31.514 1.00 21.21 ? 131 ASN B ND2 1 ATOM 1025 N N . LEU B 2 96 ? -10.995 -30.550 26.514 1.00 23.59 ? 132 LEU B N 1 ATOM 1026 C CA . LEU B 2 96 ? -11.506 -29.458 25.672 1.00 23.83 ? 132 LEU B CA 1 ATOM 1027 C C . LEU B 2 96 ? -11.513 -28.115 26.417 1.00 24.66 ? 132 LEU B C 1 ATOM 1028 O O . LEU B 2 96 ? -12.336 -27.240 26.132 1.00 26.34 ? 132 LEU B O 1 ATOM 1029 C CB . LEU B 2 96 ? -12.927 -29.767 25.150 1.00 22.26 ? 132 LEU B CB 1 ATOM 1030 C CG . LEU B 2 96 ? -13.107 -30.744 23.982 1.00 26.96 ? 132 LEU B CG 1 ATOM 1031 C CD1 . LEU B 2 96 ? -14.383 -30.419 23.189 1.00 27.30 ? 132 LEU B CD1 1 ATOM 1032 C CD2 . LEU B 2 96 ? -11.907 -30.687 23.076 1.00 27.08 ? 132 LEU B CD2 1 ATOM 1033 N N . ASP B 2 97 ? -10.594 -27.960 27.369 1.00 23.51 ? 133 ASP B N 1 ATOM 1034 C CA . ASP B 2 97 ? -10.437 -26.731 28.154 1.00 21.59 ? 133 ASP B CA 1 ATOM 1035 C C . ASP B 2 97 ? -10.048 -25.612 27.168 1.00 20.37 ? 133 ASP B C 1 ATOM 1036 O O . ASP B 2 97 ? -9.221 -25.814 26.279 1.00 17.23 ? 133 ASP B O 1 ATOM 1037 C CB . ASP B 2 97 ? -9.333 -26.943 29.208 1.00 21.89 ? 133 ASP B CB 1 ATOM 1038 C CG . ASP B 2 97 ? -9.198 -25.781 30.180 1.00 23.96 ? 133 ASP B CG 1 ATOM 1039 O OD1 . ASP B 2 97 ? -8.052 -25.443 30.530 1.00 24.34 ? 133 ASP B OD1 1 ATOM 1040 O OD2 . ASP B 2 97 ? -10.224 -25.211 30.614 1.00 24.30 ? 133 ASP B OD2 1 ATOM 1041 N N . ARG B 2 98 ? -10.649 -24.439 27.328 1.00 18.08 ? 134 ARG B N 1 ATOM 1042 C CA . ARG B 2 98 ? -10.392 -23.315 26.424 1.00 19.57 ? 134 ARG B CA 1 ATOM 1043 C C . ARG B 2 98 ? -10.808 -23.657 24.998 1.00 15.29 ? 134 ARG B C 1 ATOM 1044 O O . ARG B 2 98 ? -10.080 -23.399 24.052 1.00 14.76 ? 134 ARG B O 1 ATOM 1045 C CB . ARG B 2 98 ? -8.915 -22.908 26.452 1.00 24.55 ? 134 ARG B CB 1 ATOM 1046 C CG . ARG B 2 98 ? -8.474 -22.385 27.806 1.00 31.84 ? 134 ARG B CG 1 ATOM 1047 C CD . ARG B 2 98 ? -6.996 -22.013 27.827 1.00 35.64 ? 134 ARG B CD 1 ATOM 1048 N NE . ARG B 2 98 ? -6.308 -22.712 28.902 1.00 43.29 ? 134 ARG B NE 1 ATOM 1049 C CZ . ARG B 2 98 ? -6.071 -22.210 30.109 1.00 44.47 ? 134 ARG B CZ 1 ATOM 1050 N NH1 . ARG B 2 98 ? -6.466 -20.979 30.413 1.00 47.02 ? 134 ARG B NH1 1 ATOM 1051 N NH2 . ARG B 2 98 ? -5.457 -22.955 31.020 1.00 43.02 ? 134 ARG B NH2 1 ATOM 1052 N N . ASP B 2 99 ? -11.991 -24.247 24.859 1.00 15.82 ? 135 ASP B N 1 ATOM 1053 C CA . ASP B 2 99 ? -12.531 -24.616 23.546 1.00 17.73 ? 135 ASP B CA 1 ATOM 1054 C C . ASP B 2 99 ? -13.053 -23.325 22.879 1.00 17.62 ? 135 ASP B C 1 ATOM 1055 O O . ASP B 2 99 ? -14.235 -23.019 22.955 1.00 18.55 ? 135 ASP B O 1 ATOM 1056 C CB . ASP B 2 99 ? -13.677 -25.609 23.749 1.00 15.54 ? 135 ASP B CB 1 ATOM 1057 C CG . ASP B 2 99 ? -14.127 -26.266 22.472 1.00 16.13 ? 135 ASP B CG 1 ATOM 1058 O OD1 . ASP B 2 99 ? -13.471 -26.111 21.413 1.00 17.97 ? 135 ASP B OD1 1 ATOM 1059 O OD2 . ASP B 2 99 ? -15.165 -26.952 22.534 1.00 19.90 ? 135 ASP B OD2 1 ATOM 1060 N N . ILE B 2 100 ? -12.168 -22.564 22.251 1.00 17.70 ? 136 ILE B N 1 ATOM 1061 C CA . ILE B 2 100 ? -12.581 -21.316 21.627 1.00 17.51 ? 136 ILE B CA 1 ATOM 1062 C C . ILE B 2 100 ? -11.748 -20.936 20.415 1.00 19.79 ? 136 ILE B C 1 ATOM 1063 O O . ILE B 2 100 ? -10.543 -21.231 20.349 1.00 21.38 ? 136 ILE B O 1 ATOM 1064 C CB . ILE B 2 100 ? -12.533 -20.167 22.658 1.00 16.21 ? 136 ILE B CB 1 ATOM 1065 C CG1 . ILE B 2 100 ? -13.219 -18.919 22.094 1.00 17.43 ? 136 ILE B CG1 1 ATOM 1066 C CG2 . ILE B 2 100 ? -11.076 -19.846 23.035 1.00 15.28 ? 136 ILE B CG2 1 ATOM 1067 C CD1 . ILE B 2 100 ? -13.548 -17.898 23.163 1.00 14.58 ? 136 ILE B CD1 1 ATOM 1068 N N . ALA B 2 101 ? -12.396 -20.293 19.445 1.00 18.05 ? 137 ALA B N 1 ATOM 1069 C CA . ALA B 2 101 ? -11.727 -19.841 18.237 1.00 18.03 ? 137 ALA B CA 1 ATOM 1070 C C . ALA B 2 101 ? -12.392 -18.610 17.621 1.00 22.42 ? 137 ALA B C 1 ATOM 1071 O O . ALA B 2 101 ? -13.607 -18.419 17.728 1.00 21.18 ? 137 ALA B O 1 ATOM 1072 C CB . ALA B 2 101 ? -11.685 -20.938 17.215 1.00 15.70 ? 137 ALA B CB 1 ATOM 1073 N N . LEU B 2 102 ? -11.573 -17.794 16.960 1.00 23.07 ? 138 LEU B N 1 ATOM 1074 C CA . LEU B 2 102 ? -12.027 -16.593 16.285 1.00 24.60 ? 138 LEU B CA 1 ATOM 1075 C C . LEU B 2 102 ? -11.790 -16.778 14.793 1.00 27.32 ? 138 LEU B C 1 ATOM 1076 O O . LEU B 2 102 ? -10.823 -17.428 14.377 1.00 29.16 ? 138 LEU B O 1 ATOM 1077 C CB . LEU B 2 102 ? -11.241 -15.380 16.778 1.00 23.32 ? 138 LEU B CB 1 ATOM 1078 C CG . LEU B 2 102 ? -11.732 -14.845 18.109 1.00 23.86 ? 138 LEU B CG 1 ATOM 1079 C CD1 . LEU B 2 102 ? -10.701 -13.882 18.687 1.00 26.39 ? 138 LEU B CD1 1 ATOM 1080 C CD2 . LEU B 2 102 ? -13.083 -14.160 17.897 1.00 25.38 ? 138 LEU B CD2 1 ATOM 1081 N N . MET B 2 103 ? -12.677 -16.217 13.984 1.00 25.45 ? 139 MET B N 1 ATOM 1082 C CA . MET B 2 103 ? -12.529 -16.309 12.544 1.00 28.85 ? 139 MET B CA 1 ATOM 1083 C C . MET B 2 103 ? -12.705 -14.911 11.959 1.00 28.43 ? 139 MET B C 1 ATOM 1084 O O . MET B 2 103 ? -13.668 -14.221 12.270 1.00 28.51 ? 139 MET B O 1 ATOM 1085 C CB . MET B 2 103 ? -13.568 -17.272 11.962 1.00 27.99 ? 139 MET B CB 1 ATOM 1086 C CG . MET B 2 103 ? -13.506 -18.656 12.573 1.00 31.15 ? 139 MET B CG 1 ATOM 1087 S SD . MET B 2 103 ? -14.598 -19.799 11.730 1.00 34.58 ? 139 MET B SD 1 ATOM 1088 C CE . MET B 2 103 ? -16.137 -19.324 12.469 1.00 32.38 ? 139 MET B CE 1 ATOM 1089 N N . LYS B 2 104 ? -11.755 -14.492 11.133 1.00 31.19 ? 140 LYS B N 1 ATOM 1090 C CA . LYS B 2 104 ? -11.812 -13.175 10.508 1.00 32.40 ? 140 LYS B CA 1 ATOM 1091 C C . LYS B 2 104 ? -12.372 -13.325 9.112 1.00 31.53 ? 140 LYS B C 1 ATOM 1092 O O . LYS B 2 104 ? -11.867 -14.124 8.331 1.00 30.13 ? 140 LYS B O 1 ATOM 1093 C CB . LYS B 2 104 ? -10.421 -12.547 10.417 1.00 34.31 ? 140 LYS B CB 1 ATOM 1094 C CG . LYS B 2 104 ? -10.452 -11.070 10.036 1.00 36.85 ? 140 LYS B CG 1 ATOM 1095 C CD . LYS B 2 104 ? -9.065 -10.489 10.001 1.00 40.25 ? 140 LYS B CD 1 ATOM 1096 C CE . LYS B 2 104 ? -9.089 -8.988 10.227 1.00 44.74 ? 140 LYS B CE 1 ATOM 1097 N NZ . LYS B 2 104 ? -8.258 -8.287 9.207 1.00 47.59 ? 140 LYS B NZ 1 ATOM 1098 N N . LEU B 2 105 ? -13.419 -12.564 8.805 1.00 31.38 ? 141 LEU B N 1 ATOM 1099 C CA . LEU B 2 105 ? -14.046 -12.625 7.486 1.00 32.16 ? 141 LEU B CA 1 ATOM 1100 C C . LEU B 2 105 ? -13.218 -11.851 6.477 1.00 31.44 ? 141 LEU B C 1 ATOM 1101 O O . LEU B 2 105 ? -12.558 -10.883 6.829 1.00 30.71 ? 141 LEU B O 1 ATOM 1102 C CB . LEU B 2 105 ? -15.459 -12.036 7.539 1.00 32.20 ? 141 LEU B CB 1 ATOM 1103 C CG . LEU B 2 105 ? -16.445 -12.613 8.562 1.00 32.60 ? 141 LEU B CG 1 ATOM 1104 C CD1 . LEU B 2 105 ? -17.849 -12.076 8.296 1.00 28.94 ? 141 LEU B CD1 1 ATOM 1105 C CD2 . LEU B 2 105 ? -16.432 -14.133 8.475 1.00 31.36 ? 141 LEU B CD2 1 ATOM 1106 N N . LYS B 2 106 ? -13.254 -12.279 5.223 1.00 33.75 ? 142 LYS B N 1 ATOM 1107 C CA . LYS B 2 106 ? -12.501 -11.589 4.189 1.00 37.04 ? 142 LYS B CA 1 ATOM 1108 C C . LYS B 2 106 ? -12.996 -10.150 4.053 1.00 37.65 ? 142 LYS B C 1 ATOM 1109 O O . LYS B 2 106 ? -12.193 -9.217 3.984 1.00 38.46 ? 142 LYS B O 1 ATOM 1110 C CB . LYS B 2 106 ? -12.626 -12.321 2.860 1.00 39.90 ? 142 LYS B CB 1 ATOM 1111 C CG . LYS B 2 106 ? -11.327 -12.348 2.085 1.00 44.49 ? 142 LYS B CG 1 ATOM 1112 C CD . LYS B 2 106 ? -11.285 -13.509 1.110 1.00 48.16 ? 142 LYS B CD 1 ATOM 1113 C CE . LYS B 2 106 ? -10.267 -14.545 1.552 1.00 50.90 ? 142 LYS B CE 1 ATOM 1114 N NZ . LYS B 2 106 ? -9.588 -15.180 0.384 1.00 54.68 ? 142 LYS B NZ 1 ATOM 1115 N N . LYS B 2 107 ? -14.312 -9.960 4.008 1.00 37.04 ? 143 LYS B N 1 ATOM 1116 C CA . LYS B 2 107 ? -14.864 -8.604 3.930 1.00 37.26 ? 143 LYS B CA 1 ATOM 1117 C C . LYS B 2 107 ? -15.980 -8.464 4.947 1.00 35.93 ? 143 LYS B C 1 ATOM 1118 O O . LYS B 2 107 ? -16.669 -9.433 5.269 1.00 35.90 ? 143 LYS B O 1 ATOM 1119 C CB . LYS B 2 107 ? -15.405 -8.260 2.529 1.00 36.17 ? 143 LYS B CB 1 ATOM 1120 C CG . LYS B 2 107 ? -15.467 -9.411 1.538 1.00 38.08 ? 143 LYS B CG 1 ATOM 1121 C CD . LYS B 2 107 ? -16.832 -10.084 1.568 0.00 37.61 ? 143 LYS B CD 1 ATOM 1122 C CE . LYS B 2 107 ? -16.901 -11.142 2.658 0.00 37.85 ? 143 LYS B CE 1 ATOM 1123 N NZ . LYS B 2 107 ? -16.682 -12.508 2.112 0.00 37.75 ? 143 LYS B NZ 1 ATOM 1124 N N . PRO B 2 108 ? -16.176 -7.250 5.471 1.00 36.17 ? 144 PRO B N 1 ATOM 1125 C CA . PRO B 2 108 ? -17.241 -7.071 6.459 1.00 35.32 ? 144 PRO B CA 1 ATOM 1126 C C . PRO B 2 108 ? -18.603 -7.411 5.855 1.00 34.66 ? 144 PRO B C 1 ATOM 1127 O O . PRO B 2 108 ? -18.792 -7.365 4.638 1.00 33.46 ? 144 PRO B O 1 ATOM 1128 C CB . PRO B 2 108 ? -17.142 -5.594 6.851 1.00 36.37 ? 144 PRO B CB 1 ATOM 1129 C CG . PRO B 2 108 ? -15.803 -5.132 6.347 1.00 36.53 ? 144 PRO B CG 1 ATOM 1130 C CD . PRO B 2 108 ? -15.469 -5.993 5.171 1.00 35.51 ? 144 PRO B CD 1 ATOM 1131 N N . VAL B 2 109 ? -19.538 -7.776 6.715 1.00 32.36 ? 145 VAL B N 1 ATOM 1132 C CA . VAL B 2 109 ? -20.881 -8.099 6.284 1.00 32.46 ? 145 VAL B CA 1 ATOM 1133 C C . VAL B 2 109 ? -21.709 -6.884 6.697 1.00 31.15 ? 145 VAL B C 1 ATOM 1134 O O . VAL B 2 109 ? -21.389 -6.228 7.683 1.00 28.81 ? 145 VAL B O 1 ATOM 1135 C CB . VAL B 2 109 ? -21.402 -9.391 7.001 1.00 32.88 ? 145 VAL B CB 1 ATOM 1136 C CG1 . VAL B 2 109 ? -21.610 -9.126 8.485 1.00 32.59 ? 145 VAL B CG1 1 ATOM 1137 C CG2 . VAL B 2 109 ? -22.696 -9.869 6.361 1.00 33.37 ? 145 VAL B CG2 1 ATOM 1138 N N . ALA B 2 110 ? -22.746 -6.561 5.932 1.00 31.89 ? 146 ALA B N 1 ATOM 1139 C CA . ALA B 2 110 ? -23.604 -5.431 6.280 1.00 29.52 ? 146 ALA B CA 1 ATOM 1140 C C . ALA B 2 110 ? -24.736 -5.962 7.149 1.00 28.37 ? 146 ALA B C 1 ATOM 1141 O O . ALA B 2 110 ? -25.264 -7.038 6.889 1.00 28.57 ? 146 ALA B O 1 ATOM 1142 C CB . ALA B 2 110 ? -24.183 -4.781 5.012 1.00 31.14 ? 146 ALA B CB 1 ATOM 1143 N N . PHE B 2 111 ? -25.108 -5.209 8.176 1.00 25.15 ? 147 PHE B N 1 ATOM 1144 C CA . PHE B 2 111 ? -26.182 -5.633 9.049 1.00 24.73 ? 147 PHE B CA 1 ATOM 1145 C C . PHE B 2 111 ? -27.535 -5.413 8.378 1.00 23.80 ? 147 PHE B C 1 ATOM 1146 O O . PHE B 2 111 ? -27.640 -4.672 7.406 1.00 25.91 ? 147 PHE B O 1 ATOM 1147 C CB . PHE B 2 111 ? -26.103 -4.877 10.377 1.00 23.70 ? 147 PHE B CB 1 ATOM 1148 C CG . PHE B 2 111 ? -24.785 -5.039 11.081 1.00 26.34 ? 147 PHE B CG 1 ATOM 1149 C CD1 . PHE B 2 111 ? -23.984 -6.163 10.837 1.00 26.41 ? 147 PHE B CD1 1 ATOM 1150 C CD2 . PHE B 2 111 ? -24.329 -4.075 11.963 1.00 24.72 ? 147 PHE B CD2 1 ATOM 1151 C CE1 . PHE B 2 111 ? -22.755 -6.314 11.458 1.00 24.82 ? 147 PHE B CE1 1 ATOM 1152 C CE2 . PHE B 2 111 ? -23.092 -4.218 12.595 1.00 25.25 ? 147 PHE B CE2 1 ATOM 1153 C CZ . PHE B 2 111 ? -22.305 -5.338 12.340 1.00 25.34 ? 147 PHE B CZ 1 ATOM 1154 N N . SER B 2 112 ? -28.560 -6.081 8.889 1.00 22.01 ? 148 SER B N 1 ATOM 1155 C CA . SER B 2 112 ? -29.907 -5.977 8.346 1.00 20.09 ? 148 SER B CA 1 ATOM 1156 C C . SER B 2 112 ? -30.830 -6.383 9.473 1.00 19.65 ? 148 SER B C 1 ATOM 1157 O O . SER B 2 112 ? -30.394 -6.505 10.616 1.00 17.69 ? 148 SER B O 1 ATOM 1158 C CB . SER B 2 112 ? -30.073 -6.944 7.172 1.00 22.80 ? 148 SER B CB 1 ATOM 1159 O OG . SER B 2 112 ? -30.165 -8.288 7.632 1.00 25.09 ? 148 SER B OG 1 ATOM 1160 N N . ASP B 2 113 ? -32.098 -6.600 9.149 1.00 20.06 ? 149 ASP B N 1 ATOM 1161 C CA . ASP B 2 113 ? -33.075 -7.026 10.138 1.00 21.62 ? 149 ASP B CA 1 ATOM 1162 C C . ASP B 2 113 ? -32.756 -8.455 10.622 1.00 20.28 ? 149 ASP B C 1 ATOM 1163 O O . ASP B 2 113 ? -33.181 -8.864 11.710 1.00 21.82 ? 149 ASP B O 1 ATOM 1164 C CB . ASP B 2 113 ? -34.474 -7.031 9.513 1.00 22.41 ? 149 ASP B CB 1 ATOM 1165 C CG . ASP B 2 113 ? -35.075 -5.623 9.369 1.00 28.99 ? 149 ASP B CG 1 ATOM 1166 O OD1 . ASP B 2 113 ? -36.019 -5.483 8.563 1.00 30.84 ? 149 ASP B OD1 1 ATOM 1167 O OD2 . ASP B 2 113 ? -34.626 -4.668 10.047 1.00 28.43 ? 149 ASP B OD2 1 ATOM 1168 N N . TYR B 2 114 ? -32.021 -9.195 9.794 1.00 20.31 ? 150 TYR B N 1 ATOM 1169 C CA . TYR B 2 114 ? -31.675 -10.600 10.058 1.00 23.43 ? 150 TYR B CA 1 ATOM 1170 C C . TYR B 2 114 ? -30.211 -10.865 10.462 1.00 23.57 ? 150 TYR B C 1 ATOM 1171 O O . TYR B 2 114 ? -29.858 -11.994 10.826 1.00 24.82 ? 150 TYR B O 1 ATOM 1172 C CB . TYR B 2 114 ? -32.001 -11.428 8.803 1.00 22.75 ? 150 TYR B CB 1 ATOM 1173 C CG . TYR B 2 114 ? -33.337 -11.067 8.171 1.00 25.20 ? 150 TYR B CG 1 ATOM 1174 C CD1 . TYR B 2 114 ? -33.404 -10.311 6.998 1.00 25.11 ? 150 TYR B CD1 1 ATOM 1175 C CD2 . TYR B 2 114 ? -34.537 -11.444 8.774 1.00 24.69 ? 150 TYR B CD2 1 ATOM 1176 C CE1 . TYR B 2 114 ? -34.638 -9.935 6.447 1.00 27.10 ? 150 TYR B CE1 1 ATOM 1177 C CE2 . TYR B 2 114 ? -35.762 -11.079 8.237 1.00 25.92 ? 150 TYR B CE2 1 ATOM 1178 C CZ . TYR B 2 114 ? -35.808 -10.328 7.080 1.00 27.50 ? 150 TYR B CZ 1 ATOM 1179 O OH . TYR B 2 114 ? -37.036 -9.976 6.565 1.00 32.16 ? 150 TYR B OH 1 ATOM 1180 N N . ILE B 2 115 ? -29.370 -9.833 10.384 1.00 21.74 ? 151 ILE B N 1 ATOM 1181 C CA . ILE B 2 115 ? -27.938 -9.934 10.698 1.00 20.46 ? 151 ILE B CA 1 ATOM 1182 C C . ILE B 2 115 ? -27.567 -8.801 11.656 1.00 21.99 ? 151 ILE B C 1 ATOM 1183 O O . ILE B 2 115 ? -27.658 -7.626 11.302 1.00 20.85 ? 151 ILE B O 1 ATOM 1184 C CB . ILE B 2 115 ? -27.078 -9.807 9.397 1.00 20.93 ? 151 ILE B CB 1 ATOM 1185 C CG1 . ILE B 2 115 ? -27.484 -10.894 8.382 1.00 19.97 ? 151 ILE B CG1 1 ATOM 1186 C CG2 . ILE B 2 115 ? -25.597 -9.936 9.732 1.00 17.53 ? 151 ILE B CG2 1 ATOM 1187 C CD1 . ILE B 2 115 ? -26.752 -10.803 7.044 1.00 20.12 ? 151 ILE B CD1 1 ATOM 1188 N N . HIS B 2 116 ? -27.146 -9.155 12.863 1.00 19.37 ? 152 HIS B N 1 ATOM 1189 C CA . HIS B 2 116 ? -26.797 -8.168 13.881 1.00 18.35 ? 152 HIS B CA 1 ATOM 1190 C C . HIS B 2 116 ? -25.931 -8.856 14.945 1.00 21.00 ? 152 HIS B C 1 ATOM 1191 O O . HIS B 2 116 ? -26.237 -9.973 15.382 1.00 18.52 ? 152 HIS B O 1 ATOM 1192 C CB . HIS B 2 116 ? -28.079 -7.615 14.508 1.00 21.77 ? 152 HIS B CB 1 ATOM 1193 C CG . HIS B 2 116 ? -27.902 -6.297 15.191 1.00 23.88 ? 152 HIS B CG 1 ATOM 1194 N ND1 . HIS B 2 116 ? -27.885 -5.097 14.507 1.00 24.16 ? 152 HIS B ND1 1 ATOM 1195 C CD2 . HIS B 2 116 ? -27.687 -5.989 16.497 1.00 24.43 ? 152 HIS B CD2 1 ATOM 1196 C CE1 . HIS B 2 116 ? -27.669 -4.110 15.361 1.00 24.08 ? 152 HIS B CE1 1 ATOM 1197 N NE2 . HIS B 2 116 ? -27.546 -4.624 16.573 1.00 27.36 ? 152 HIS B NE2 1 ATOM 1198 N N . PRO B 2 117 ? -24.845 -8.196 15.386 1.00 19.25 ? 153 PRO B N 1 ATOM 1199 C CA . PRO B 2 117 ? -23.986 -8.827 16.395 1.00 18.50 ? 153 PRO B CA 1 ATOM 1200 C C . PRO B 2 117 ? -24.522 -8.870 17.814 1.00 18.58 ? 153 PRO B C 1 ATOM 1201 O O . PRO B 2 117 ? -25.358 -8.058 18.215 1.00 16.36 ? 153 PRO B O 1 ATOM 1202 C CB . PRO B 2 117 ? -22.677 -8.029 16.303 1.00 18.54 ? 153 PRO B CB 1 ATOM 1203 C CG . PRO B 2 117 ? -23.106 -6.656 15.860 1.00 19.13 ? 153 PRO B CG 1 ATOM 1204 C CD . PRO B 2 117 ? -24.351 -6.864 14.988 1.00 20.81 ? 153 PRO B CD 1 ATOM 1205 N N . VAL B 2 118 ? -24.031 -9.849 18.569 1.00 14.80 ? 154 VAL B N 1 ATOM 1206 C CA . VAL B 2 118 ? -24.390 -10.038 19.968 1.00 12.52 ? 154 VAL B CA 1 ATOM 1207 C C . VAL B 2 118 ? -23.269 -9.367 20.795 1.00 13.55 ? 154 VAL B C 1 ATOM 1208 O O . VAL B 2 118 ? -22.146 -9.231 20.313 1.00 16.36 ? 154 VAL B O 1 ATOM 1209 C CB . VAL B 2 118 ? -24.431 -11.574 20.322 1.00 11.75 ? 154 VAL B CB 1 ATOM 1210 C CG1 . VAL B 2 118 ? -23.004 -12.138 20.336 1.00 8.69 ? 154 VAL B CG1 1 ATOM 1211 C CG2 . VAL B 2 118 ? -25.080 -11.802 21.681 1.00 12.60 ? 154 VAL B CG2 1 ATOM 1212 N N . CYS B 2 119 ? -23.560 -8.962 22.028 1.00 14.87 ? 155 CYS B N 1 ATOM 1213 C CA . CYS B 2 119 ? -22.534 -8.357 22.889 1.00 16.29 ? 155 CYS B CA 1 ATOM 1214 C C . CYS B 2 119 ? -21.695 -9.405 23.640 1.00 17.21 ? 155 CYS B C 1 ATOM 1215 O O . CYS B 2 119 ? -22.163 -10.509 23.915 1.00 18.49 ? 155 CYS B O 1 ATOM 1216 C CB . CYS B 2 119 ? -23.167 -7.473 23.975 1.00 18.45 ? 155 CYS B CB 1 ATOM 1217 S SG . CYS B 2 119 ? -24.304 -6.172 23.421 1.00 16.82 ? 155 CYS B SG 1 ATOM 1218 N N . LEU B 2 120 ? -20.475 -9.022 24.008 1.00 18.98 ? 156 LEU B N 1 ATOM 1219 C CA . LEU B 2 120 ? -19.572 -9.866 24.799 1.00 19.19 ? 156 LEU B CA 1 ATOM 1220 C C . LEU B 2 120 ? -19.733 -9.335 26.219 1.00 19.25 ? 156 LEU B C 1 ATOM 1221 O O . LEU B 2 120 ? -19.805 -8.135 26.424 1.00 20.24 ? 156 LEU B O 1 ATOM 1222 C CB . LEU B 2 120 ? -18.136 -9.705 24.307 1.00 17.69 ? 156 LEU B CB 1 ATOM 1223 C CG . LEU B 2 120 ? -17.536 -10.808 23.426 1.00 21.53 ? 156 LEU B CG 1 ATOM 1224 C CD1 . LEU B 2 120 ? -18.598 -11.634 22.739 1.00 23.65 ? 156 LEU B CD1 1 ATOM 1225 C CD2 . LEU B 2 120 ? -16.620 -10.185 22.408 1.00 22.01 ? 156 LEU B CD2 1 ATOM 1226 N N . PRO B 2 121 ? -19.763 -10.211 27.229 1.00 20.96 ? 157 PRO B N 1 ATOM 1227 C CA . PRO B 2 121 ? -19.943 -9.679 28.581 1.00 21.23 ? 157 PRO B CA 1 ATOM 1228 C C . PRO B 2 121 ? -18.751 -8.943 29.195 1.00 25.31 ? 157 PRO B C 1 ATOM 1229 O O . PRO B 2 121 ? -17.603 -9.122 28.786 1.00 22.21 ? 157 PRO B O 1 ATOM 1230 C CB . PRO B 2 121 ? -20.304 -10.917 29.394 1.00 20.09 ? 157 PRO B CB 1 ATOM 1231 C CG . PRO B 2 121 ? -19.523 -11.995 28.722 1.00 18.98 ? 157 PRO B CG 1 ATOM 1232 C CD . PRO B 2 121 ? -19.585 -11.674 27.241 1.00 20.06 ? 157 PRO B CD 1 ATOM 1233 N N . ASP B 2 122 ? -19.057 -8.110 30.183 1.00 27.66 ? 158 ASP B N 1 ATOM 1234 C CA . ASP B 2 122 ? -18.058 -7.366 30.943 1.00 32.68 ? 158 ASP B CA 1 ATOM 1235 C C . ASP B 2 122 ? -18.088 -8.086 32.291 1.00 33.14 ? 158 ASP B C 1 ATOM 1236 O O . ASP B 2 122 ? -19.036 -8.818 32.574 1.00 33.00 ? 158 ASP B O 1 ATOM 1237 C CB . ASP B 2 122 ? -18.506 -5.914 31.113 1.00 36.91 ? 158 ASP B CB 1 ATOM 1238 C CG . ASP B 2 122 ? -19.984 -5.808 31.425 1.00 43.57 ? 158 ASP B CG 1 ATOM 1239 O OD1 . ASP B 2 122 ? -20.345 -5.868 32.619 1.00 47.86 ? 158 ASP B OD1 1 ATOM 1240 O OD2 . ASP B 2 122 ? -20.791 -5.681 30.479 1.00 47.21 ? 158 ASP B OD2 1 ATOM 1241 N N . ARG B 2 123 ? -17.075 -7.887 33.127 1.00 34.55 ? 159 ARG B N 1 ATOM 1242 C CA . ARG B 2 123 ? -17.030 -8.563 34.422 1.00 35.63 ? 159 ARG B CA 1 ATOM 1243 C C . ARG B 2 123 ? -18.305 -8.488 35.255 1.00 33.47 ? 159 ARG B C 1 ATOM 1244 O O . ARG B 2 123 ? -18.711 -9.475 35.877 1.00 32.42 ? 159 ARG B O 1 ATOM 1245 C CB . ARG B 2 123 ? -15.874 -8.021 35.265 1.00 41.17 ? 159 ARG B CB 1 ATOM 1246 C CG . ARG B 2 123 ? -15.427 -8.968 36.372 1.00 47.72 ? 159 ARG B CG 1 ATOM 1247 C CD . ARG B 2 123 ? -15.732 -8.406 37.749 1.00 56.22 ? 159 ARG B CD 1 ATOM 1248 N NE . ARG B 2 123 ? -14.542 -7.843 38.389 1.00 61.84 ? 159 ARG B NE 1 ATOM 1249 C CZ . ARG B 2 123 ? -14.129 -6.586 38.235 1.00 64.13 ? 159 ARG B CZ 1 ATOM 1250 N NH1 . ARG B 2 123 ? -14.805 -5.745 37.459 1.00 65.87 ? 159 ARG B NH1 1 ATOM 1251 N NH2 . ARG B 2 123 ? -13.041 -6.162 38.867 1.00 65.92 ? 159 ARG B NH2 1 ATOM 1252 N N . GLU B 2 124 ? -18.926 -7.316 35.281 1.00 31.61 ? 160 GLU B N 1 ATOM 1253 C CA . GLU B 2 124 ? -20.131 -7.116 36.071 1.00 33.13 ? 160 GLU B CA 1 ATOM 1254 C C . GLU B 2 124 ? -21.329 -7.884 35.516 1.00 31.88 ? 160 GLU B C 1 ATOM 1255 O O . GLU B 2 124 ? -22.138 -8.434 36.272 1.00 30.34 ? 160 GLU B O 1 ATOM 1256 C CB . GLU B 2 124 ? -20.459 -5.624 36.148 1.00 38.26 ? 160 GLU B CB 1 ATOM 1257 C CG . GLU B 2 124 ? -19.328 -4.765 36.712 1.00 44.32 ? 160 GLU B CG 1 ATOM 1258 C CD . GLU B 2 124 ? -18.138 -4.633 35.763 1.00 48.21 ? 160 GLU B CD 1 ATOM 1259 O OE1 . GLU B 2 124 ? -18.303 -4.052 34.665 1.00 50.93 ? 160 GLU B OE1 1 ATOM 1260 O OE2 . GLU B 2 124 ? -17.033 -5.107 36.116 1.00 49.27 ? 160 GLU B OE2 1 ATOM 1261 N N . THR B 2 125 ? -21.450 -7.919 34.195 1.00 30.59 ? 161 THR B N 1 ATOM 1262 C CA . THR B 2 125 ? -22.550 -8.640 33.580 1.00 30.82 ? 161 THR B CA 1 ATOM 1263 C C . THR B 2 125 ? -22.382 -10.122 33.920 1.00 27.63 ? 161 THR B C 1 ATOM 1264 O O . THR B 2 125 ? -23.329 -10.769 34.339 1.00 28.12 ? 161 THR B O 1 ATOM 1265 C CB . THR B 2 125 ? -22.565 -8.426 32.059 1.00 33.07 ? 161 THR B CB 1 ATOM 1266 O OG1 . THR B 2 125 ? -22.775 -7.029 31.786 1.00 36.41 ? 161 THR B OG1 1 ATOM 1267 C CG2 . THR B 2 125 ? -23.687 -9.235 31.412 1.00 33.84 ? 161 THR B CG2 1 ATOM 1268 N N . ALA B 2 126 ? -21.165 -10.639 33.783 1.00 25.66 ? 162 ALA B N 1 ATOM 1269 C CA . ALA B 2 126 ? -20.895 -12.036 34.103 1.00 25.34 ? 162 ALA B CA 1 ATOM 1270 C C . ALA B 2 126 ? -21.147 -12.325 35.580 1.00 26.20 ? 162 ALA B C 1 ATOM 1271 O O . ALA B 2 126 ? -21.833 -13.290 35.925 1.00 24.88 ? 162 ALA B O 1 ATOM 1272 C CB . ALA B 2 126 ? -19.458 -12.388 33.747 1.00 25.71 ? 162 ALA B CB 1 ATOM 1273 N N . ALA B 2 127 ? -20.621 -11.479 36.458 1.00 25.64 ? 163 ALA B N 1 ATOM 1274 C CA . ALA B 2 127 ? -20.797 -11.718 37.886 1.00 27.50 ? 163 ALA B CA 1 ATOM 1275 C C . ALA B 2 127 ? -22.256 -11.733 38.273 1.00 29.11 ? 163 ALA B C 1 ATOM 1276 O O . ALA B 2 127 ? -22.691 -12.510 39.121 1.00 31.55 ? 163 ALA B O 1 ATOM 1277 C CB . ALA B 2 127 ? -20.060 -10.652 38.701 1.00 26.61 ? 163 ALA B CB 1 ATOM 1278 N N . SER B 2 128 ? -23.024 -10.877 37.626 1.00 30.10 ? 164 SER B N 1 ATOM 1279 C CA . SER B 2 128 ? -24.432 -10.745 37.927 1.00 28.58 ? 164 SER B CA 1 ATOM 1280 C C . SER B 2 128 ? -25.356 -11.813 37.322 1.00 27.64 ? 164 SER B C 1 ATOM 1281 O O . SER B 2 128 ? -26.306 -12.249 37.967 1.00 28.24 ? 164 SER B O 1 ATOM 1282 C CB . SER B 2 128 ? -24.884 -9.347 37.488 1.00 31.97 ? 164 SER B CB 1 ATOM 1283 O OG . SER B 2 128 ? -26.217 -9.092 37.872 1.00 38.11 ? 164 SER B OG 1 ATOM 1284 N N . LEU B 2 129 ? -25.077 -12.236 36.095 1.00 24.42 ? 165 LEU B N 1 ATOM 1285 C CA . LEU B 2 129 ? -25.933 -13.205 35.418 1.00 24.96 ? 165 LEU B CA 1 ATOM 1286 C C . LEU B 2 129 ? -25.525 -14.677 35.472 1.00 25.48 ? 165 LEU B C 1 ATOM 1287 O O . LEU B 2 129 ? -26.381 -15.547 35.389 1.00 24.45 ? 165 LEU B O 1 ATOM 1288 C CB . LEU B 2 129 ? -26.114 -12.790 33.954 1.00 24.92 ? 165 LEU B CB 1 ATOM 1289 C CG . LEU B 2 129 ? -26.895 -11.473 33.762 1.00 26.20 ? 165 LEU B CG 1 ATOM 1290 C CD1 . LEU B 2 129 ? -27.169 -11.226 32.297 1.00 27.46 ? 165 LEU B CD1 1 ATOM 1291 C CD2 . LEU B 2 129 ? -28.205 -11.549 34.529 1.00 27.89 ? 165 LEU B CD2 1 ATOM 1292 N N . LEU B 2 130 ? -24.236 -14.965 35.599 1.00 26.78 ? 166 LEU B N 1 ATOM 1293 C CA . LEU B 2 130 ? -23.805 -16.360 35.641 1.00 28.47 ? 166 LEU B CA 1 ATOM 1294 C C . LEU B 2 130 ? -24.029 -16.970 37.014 1.00 28.20 ? 166 LEU B C 1 ATOM 1295 O O . LEU B 2 130 ? -23.089 -17.171 37.772 1.00 28.85 ? 166 LEU B O 1 ATOM 1296 C CB . LEU B 2 130 ? -22.335 -16.466 35.265 1.00 30.05 ? 166 LEU B CB 1 ATOM 1297 C CG . LEU B 2 130 ? -22.059 -16.670 33.776 1.00 36.36 ? 166 LEU B CG 1 ATOM 1298 C CD1 . LEU B 2 130 ? -20.555 -16.790 33.563 1.00 35.79 ? 166 LEU B CD1 1 ATOM 1299 C CD2 . LEU B 2 130 ? -22.767 -17.911 33.266 1.00 33.82 ? 166 LEU B CD2 1 ATOM 1300 N N . GLN B 2 131 ? -25.288 -17.259 37.322 1.00 28.13 ? 167 GLN B N 1 ATOM 1301 C CA . GLN B 2 131 ? -25.671 -17.843 38.595 1.00 28.30 ? 167 GLN B CA 1 ATOM 1302 C C . GLN B 2 131 ? -26.536 -19.080 38.368 1.00 27.56 ? 167 GLN B C 1 ATOM 1303 O O . GLN B 2 131 ? -27.313 -19.129 37.417 1.00 24.41 ? 167 GLN B O 1 ATOM 1304 C CB . GLN B 2 131 ? -26.442 -16.825 39.413 1.00 29.35 ? 167 GLN B CB 1 ATOM 1305 C CG . GLN B 2 131 ? -25.645 -15.575 39.677 1.00 38.81 ? 167 GLN B CG 1 ATOM 1306 C CD . GLN B 2 131 ? -26.246 -14.735 40.779 1.00 45.35 ? 167 GLN B CD 1 ATOM 1307 O OE1 . GLN B 2 131 ? -26.197 -13.502 40.730 1.00 50.35 ? 167 GLN B OE1 1 ATOM 1308 N NE2 . GLN B 2 131 ? -26.824 -15.397 41.785 1.00 46.92 ? 167 GLN B NE2 1 ATOM 1309 N N . ALA B 2 132 ? -26.396 -20.063 39.257 1.00 24.91 ? 168 ALA B N 1 ATOM 1310 C CA . ALA B 2 132 ? -27.141 -21.315 39.175 1.00 24.96 ? 168 ALA B CA 1 ATOM 1311 C C . ALA B 2 132 ? -28.632 -21.051 39.230 1.00 24.18 ? 168 ALA B C 1 ATOM 1312 O O . ALA B 2 132 ? -29.103 -20.331 40.103 1.00 25.96 ? 168 ALA B O 1 ATOM 1313 C CB . ALA B 2 132 ? -26.732 -22.247 40.331 1.00 25.34 ? 168 ALA B CB 1 ATOM 1314 N N . GLY B 2 133 ? -29.378 -21.636 38.304 1.00 22.31 ? 169 GLY B N 1 ATOM 1315 C CA . GLY B 2 133 ? -30.804 -21.406 38.298 1.00 24.95 ? 169 GLY B CA 1 ATOM 1316 C C . GLY B 2 133 ? -31.220 -20.388 37.247 1.00 25.01 ? 169 GLY B C 1 ATOM 1317 O O . GLY B 2 133 ? -32.322 -20.477 36.719 1.00 26.64 ? 169 GLY B O 1 ATOM 1318 N N . TYR B 2 134 ? -30.358 -19.418 36.946 1.00 23.28 ? 170 TYR B N 1 ATOM 1319 C CA . TYR B 2 134 ? -30.690 -18.424 35.920 1.00 21.60 ? 170 TYR B CA 1 ATOM 1320 C C . TYR B 2 134 ? -30.661 -19.127 34.564 1.00 21.43 ? 170 TYR B C 1 ATOM 1321 O O . TYR B 2 134 ? -29.760 -19.933 34.302 1.00 21.27 ? 170 TYR B O 1 ATOM 1322 C CB . TYR B 2 134 ? -29.666 -17.279 35.922 1.00 21.17 ? 170 TYR B CB 1 ATOM 1323 C CG . TYR B 2 134 ? -29.756 -16.342 37.109 1.00 22.58 ? 170 TYR B CG 1 ATOM 1324 C CD1 . TYR B 2 134 ? -30.327 -16.757 38.313 1.00 23.50 ? 170 TYR B CD1 1 ATOM 1325 C CD2 . TYR B 2 134 ? -29.277 -15.028 37.022 1.00 26.19 ? 170 TYR B CD2 1 ATOM 1326 C CE1 . TYR B 2 134 ? -30.425 -15.893 39.401 1.00 24.58 ? 170 TYR B CE1 1 ATOM 1327 C CE2 . TYR B 2 134 ? -29.370 -14.154 38.099 1.00 24.67 ? 170 TYR B CE2 1 ATOM 1328 C CZ . TYR B 2 134 ? -29.945 -14.593 39.285 1.00 27.49 ? 170 TYR B CZ 1 ATOM 1329 O OH . TYR B 2 134 ? -30.037 -13.741 40.364 1.00 27.09 ? 170 TYR B OH 1 ATOM 1330 N N . LYS B 2 135 ? -31.614 -18.814 33.691 1.00 17.95 ? 171 LYS B N 1 ATOM 1331 C CA . LYS B 2 135 ? -31.664 -19.455 32.386 1.00 18.16 ? 171 LYS B CA 1 ATOM 1332 C C . LYS B 2 135 ? -31.018 -18.703 31.238 1.00 19.13 ? 171 LYS B C 1 ATOM 1333 O O . LYS B 2 135 ? -31.039 -17.466 31.177 1.00 18.08 ? 171 LYS B O 1 ATOM 1334 C CB . LYS B 2 135 ? -33.113 -19.760 31.991 1.00 19.73 ? 171 LYS B CB 1 ATOM 1335 C CG . LYS B 2 135 ? -33.906 -20.484 33.058 1.00 23.41 ? 171 LYS B CG 1 ATOM 1336 C CD . LYS B 2 135 ? -35.216 -20.981 32.491 1.00 24.76 ? 171 LYS B CD 1 ATOM 1337 C CE . LYS B 2 135 ? -35.921 -21.881 33.477 1.00 25.28 ? 171 LYS B CE 1 ATOM 1338 N NZ . LYS B 2 135 ? -37.375 -21.925 33.183 1.00 28.28 ? 171 LYS B NZ 1 ATOM 1339 N N . GLY B 2 136 ? -30.461 -19.480 30.319 1.00 15.76 ? 172 GLY B N 1 ATOM 1340 C CA . GLY B 2 136 ? -29.842 -18.940 29.131 1.00 14.44 ? 172 GLY B CA 1 ATOM 1341 C C . GLY B 2 136 ? -30.527 -19.586 27.937 1.00 16.34 ? 172 GLY B C 1 ATOM 1342 O O . GLY B 2 136 ? -31.352 -20.482 28.106 1.00 17.90 ? 172 GLY B O 1 ATOM 1343 N N . ARG B 2 137 ? -30.184 -19.152 26.730 1.00 16.92 ? 173 ARG B N 1 ATOM 1344 C CA . ARG B 2 137 ? -30.810 -19.687 25.529 1.00 16.67 ? 173 ARG B CA 1 ATOM 1345 C C . ARG B 2 137 ? -29.793 -20.244 24.555 1.00 16.81 ? 173 ARG B C 1 ATOM 1346 O O . ARG B 2 137 ? -28.762 -19.609 24.302 1.00 18.28 ? 173 ARG B O 1 ATOM 1347 C CB . ARG B 2 137 ? -31.609 -18.582 24.832 1.00 14.98 ? 173 ARG B CB 1 ATOM 1348 C CG . ARG B 2 137 ? -32.176 -18.948 23.480 1.00 15.44 ? 173 ARG B CG 1 ATOM 1349 C CD . ARG B 2 137 ? -32.951 -17.762 22.851 1.00 18.08 ? 173 ARG B CD 1 ATOM 1350 N NE . ARG B 2 137 ? -34.218 -17.516 23.540 1.00 16.57 ? 173 ARG B NE 1 ATOM 1351 C CZ . ARG B 2 137 ? -35.012 -16.461 23.331 1.00 21.26 ? 173 ARG B CZ 1 ATOM 1352 N NH1 . ARG B 2 137 ? -34.682 -15.528 22.443 1.00 15.37 ? 173 ARG B NH1 1 ATOM 1353 N NH2 . ARG B 2 137 ? -36.155 -16.351 24.002 1.00 17.93 ? 173 ARG B NH2 1 ATOM 1354 N N . VAL B 2 138 ? -30.093 -21.413 23.988 1.00 14.89 ? 174 VAL B N 1 ATOM 1355 C CA . VAL B 2 138 ? -29.197 -22.040 23.023 1.00 15.08 ? 174 VAL B CA 1 ATOM 1356 C C . VAL B 2 138 ? -29.930 -22.195 21.693 1.00 13.96 ? 174 VAL B C 1 ATOM 1357 O O . VAL B 2 138 ? -31.085 -22.566 21.674 1.00 16.54 ? 174 VAL B O 1 ATOM 1358 C CB . VAL B 2 138 ? -28.745 -23.454 23.532 1.00 18.40 ? 174 VAL B CB 1 ATOM 1359 C CG1 . VAL B 2 138 ? -27.710 -24.026 22.624 1.00 17.23 ? 174 VAL B CG1 1 ATOM 1360 C CG2 . VAL B 2 138 ? -28.219 -23.353 24.947 1.00 18.85 ? 174 VAL B CG2 1 ATOM 1361 N N . THR B 2 139 ? -29.266 -21.929 20.580 1.00 14.32 ? 175 THR B N 1 ATOM 1362 C CA . THR B 2 139 ? -29.914 -22.063 19.282 1.00 15.83 ? 175 THR B CA 1 ATOM 1363 C C . THR B 2 139 ? -29.051 -22.866 18.319 1.00 16.67 ? 175 THR B C 1 ATOM 1364 O O . THR B 2 139 ? -27.825 -22.874 18.440 1.00 17.77 ? 175 THR B O 1 ATOM 1365 C CB . THR B 2 139 ? -30.178 -20.667 18.631 1.00 18.50 ? 175 THR B CB 1 ATOM 1366 O OG1 . THR B 2 139 ? -28.986 -19.865 18.696 1.00 18.57 ? 175 THR B OG1 1 ATOM 1367 C CG2 . THR B 2 139 ? -31.309 -19.956 19.346 1.00 15.76 ? 175 THR B CG2 1 ATOM 1368 N N . GLY B 2 140 ? -29.681 -23.530 17.353 1.00 17.95 ? 176 GLY B N 1 ATOM 1369 C CA . GLY B 2 140 ? -28.905 -24.297 16.388 1.00 17.09 ? 176 GLY B CA 1 ATOM 1370 C C . GLY B 2 140 ? -29.690 -25.161 15.407 1.00 16.93 ? 176 GLY B C 1 ATOM 1371 O O . GLY B 2 140 ? -30.858 -25.436 15.613 1.00 16.13 ? 176 GLY B O 1 ATOM 1372 N N . TRP B 2 141 ? -29.028 -25.574 14.330 1.00 17.62 ? 177 TRP B N 1 ATOM 1373 C CA . TRP B 2 141 ? -29.630 -26.426 13.312 1.00 22.60 ? 177 TRP B CA 1 ATOM 1374 C C . TRP B 2 141 ? -29.246 -27.893 13.522 1.00 25.85 ? 177 TRP B C 1 ATOM 1375 O O . TRP B 2 141 ? -29.458 -28.724 12.639 1.00 27.15 ? 177 TRP B O 1 ATOM 1376 C CB . TRP B 2 141 ? -29.166 -25.995 11.921 1.00 20.43 ? 177 TRP B CB 1 ATOM 1377 C CG . TRP B 2 141 ? -29.717 -24.672 11.505 1.00 24.69 ? 177 TRP B CG 1 ATOM 1378 C CD1 . TRP B 2 141 ? -30.971 -24.418 11.028 1.00 25.84 ? 177 TRP B CD1 1 ATOM 1379 C CD2 . TRP B 2 141 ? -29.036 -23.417 11.543 1.00 23.37 ? 177 TRP B CD2 1 ATOM 1380 N NE1 . TRP B 2 141 ? -31.118 -23.073 10.765 1.00 23.65 ? 177 TRP B NE1 1 ATOM 1381 C CE2 . TRP B 2 141 ? -29.942 -22.435 11.073 1.00 25.68 ? 177 TRP B CE2 1 ATOM 1382 C CE3 . TRP B 2 141 ? -27.745 -23.023 11.927 1.00 23.34 ? 177 TRP B CE3 1 ATOM 1383 C CZ2 . TRP B 2 141 ? -29.598 -21.077 10.978 1.00 23.75 ? 177 TRP B CZ2 1 ATOM 1384 C CZ3 . TRP B 2 141 ? -27.400 -21.667 11.831 1.00 23.20 ? 177 TRP B CZ3 1 ATOM 1385 C CH2 . TRP B 2 141 ? -28.331 -20.712 11.360 1.00 21.52 ? 177 TRP B CH2 1 ATOM 1386 N N . GLY B 2 142 ? -28.677 -28.196 14.687 1.00 26.61 ? 178 GLY B N 1 ATOM 1387 C CA . GLY B 2 142 ? -28.247 -29.554 14.981 1.00 28.83 ? 178 GLY B CA 1 ATOM 1388 C C . GLY B 2 142 ? -29.319 -30.619 15.163 1.00 30.40 ? 178 GLY B C 1 ATOM 1389 O O . GLY B 2 142 ? -30.523 -30.342 15.161 1.00 29.23 ? 178 GLY B O 1 ATOM 1390 N N . ASN B 2 143 ? -28.853 -31.852 15.332 1.00 29.49 ? 179 ASN B N 1 ATOM 1391 C CA . ASN B 2 143 ? -29.712 -33.014 15.513 1.00 30.96 ? 179 ASN B CA 1 ATOM 1392 C C . ASN B 2 143 ? -30.806 -32.814 16.541 1.00 29.01 ? 179 ASN B C 1 ATOM 1393 O O . ASN B 2 143 ? -30.587 -32.206 17.589 1.00 28.53 ? 179 ASN B O 1 ATOM 1394 C CB . ASN B 2 143 ? -28.870 -34.225 15.921 1.00 31.57 ? 179 ASN B CB 1 ATOM 1395 C CG . ASN B 2 143 ? -28.144 -34.840 14.754 1.00 34.78 ? 179 ASN B CG 1 ATOM 1396 O OD1 . ASN B 2 143 ? -28.201 -34.334 13.634 1.00 34.96 ? 179 ASN B OD1 1 ATOM 1397 N ND2 . ASN B 2 143 ? -27.448 -35.944 15.010 1.00 39.20 ? 179 ASN B ND2 1 ATOM 1398 N N . LEU B 2 144 ? -31.979 -33.368 16.249 1.00 29.11 ? 180 LEU B N 1 ATOM 1399 C CA . LEU B 2 144 ? -33.124 -33.260 17.140 1.00 28.58 ? 180 LEU B CA 1 ATOM 1400 C C . LEU B 2 144 ? -33.155 -34.352 18.211 1.00 28.22 ? 180 LEU B C 1 ATOM 1401 O O . LEU B 2 144 ? -33.965 -34.307 19.123 1.00 27.00 ? 180 LEU B O 1 ATOM 1402 C CB . LEU B 2 144 ? -34.415 -33.302 16.324 1.00 29.16 ? 180 LEU B CB 1 ATOM 1403 C CG . LEU B 2 144 ? -34.548 -32.213 15.259 1.00 31.84 ? 180 LEU B CG 1 ATOM 1404 C CD1 . LEU B 2 144 ? -35.673 -32.584 14.290 1.00 33.01 ? 180 LEU B CD1 1 ATOM 1405 C CD2 . LEU B 2 144 ? -34.839 -30.872 15.931 1.00 31.37 ? 180 LEU B CD2 1 ATOM 1406 N N . LYS B 2 145 ? -32.291 -35.347 18.088 1.00 30.19 ? 181 LYS B N 1 ATOM 1407 C CA . LYS B 2 145 ? -32.234 -36.418 19.082 1.00 34.74 ? 181 LYS B CA 1 ATOM 1408 C C . LYS B 2 145 ? -30.873 -37.080 18.958 1.00 34.42 ? 181 LYS B C 1 ATOM 1409 O O . LYS B 2 145 ? -30.280 -37.070 17.878 1.00 31.64 ? 181 LYS B O 1 ATOM 1410 C CB . LYS B 2 145 ? -33.351 -37.451 18.856 1.00 39.57 ? 181 LYS B CB 1 ATOM 1411 C CG . LYS B 2 145 ? -33.775 -37.637 17.408 1.00 45.16 ? 181 LYS B CG 1 ATOM 1412 C CD . LYS B 2 145 ? -35.129 -38.347 17.323 1.00 50.59 ? 181 LYS B CD 1 ATOM 1413 C CE . LYS B 2 145 ? -35.316 -39.030 15.964 1.00 54.71 ? 181 LYS B CE 1 ATOM 1414 N NZ . LYS B 2 145 ? -36.516 -39.928 15.925 1.00 55.55 ? 181 LYS B NZ 1 ATOM 1415 N N . GLU B 2 146 ? -30.379 -37.635 20.061 1.00 35.90 ? 182 GLU B N 1 ATOM 1416 C CA . GLU B 2 146 ? -29.068 -38.280 20.076 1.00 40.26 ? 182 GLU B CA 1 ATOM 1417 C C . GLU B 2 146 ? -28.907 -39.244 18.912 1.00 42.80 ? 182 GLU B C 1 ATOM 1418 O O . GLU B 2 146 ? -27.901 -39.229 18.201 1.00 42.78 ? 182 GLU B O 1 ATOM 1419 C CB . GLU B 2 146 ? -28.866 -39.042 21.388 1.00 40.15 ? 182 GLU B CB 1 ATOM 1420 C CG . GLU B 2 146 ? -27.419 -39.366 21.683 1.00 40.98 ? 182 GLU B CG 1 ATOM 1421 C CD . GLU B 2 146 ? -27.250 -40.079 23.001 1.00 41.09 ? 182 GLU B CD 1 ATOM 1422 O OE1 . GLU B 2 146 ? -27.920 -39.697 23.985 1.00 39.90 ? 182 GLU B OE1 1 ATOM 1423 O OE2 . GLU B 2 146 ? -26.444 -41.028 23.051 1.00 44.07 ? 182 GLU B OE2 1 ATOM 1424 N N . THR B 2 147 ? -29.914 -40.079 18.713 1.00 44.99 ? 183 THR B N 1 ATOM 1425 C CA . THR B 2 147 ? -29.862 -41.046 17.643 1.00 50.18 ? 183 THR B CA 1 ATOM 1426 C C . THR B 2 147 ? -31.277 -41.318 17.148 1.00 50.99 ? 183 THR B C 1 ATOM 1427 O O . THR B 2 147 ? -31.452 -41.413 15.914 1.00 52.06 ? 183 THR B O 1 ATOM 1428 C CB . THR B 2 147 ? -29.202 -42.351 18.148 1.00 52.44 ? 183 THR B CB 1 ATOM 1429 O OG1 . THR B 2 147 ? -28.955 -43.227 17.041 1.00 55.87 ? 183 THR B OG1 1 ATOM 1430 C CG2 . THR B 2 147 ? -30.099 -43.037 19.183 1.00 52.52 ? 183 THR B CG2 1 ATOM 1431 N N . GLY B 2 155 ? -34.941 -36.299 12.313 1.00 43.20 ? 191 GLY B N 1 ATOM 1432 C CA . GLY B 2 155 ? -33.468 -36.264 12.581 1.00 43.41 ? 191 GLY B CA 1 ATOM 1433 C C . GLY B 2 155 ? -32.910 -34.850 12.591 1.00 43.76 ? 191 GLY B C 1 ATOM 1434 O O . GLY B 2 155 ? -32.335 -34.404 13.585 1.00 42.62 ? 191 GLY B O 1 ATOM 1435 N N . GLN B 2 156 ? -33.070 -34.153 11.470 1.00 44.15 ? 192 GLN B N 1 ATOM 1436 C CA . GLN B 2 156 ? -32.610 -32.777 11.327 1.00 45.07 ? 192 GLN B CA 1 ATOM 1437 C C . GLN B 2 156 ? -33.822 -31.855 11.272 1.00 42.83 ? 192 GLN B C 1 ATOM 1438 O O . GLN B 2 156 ? -34.893 -32.257 10.815 1.00 42.78 ? 192 GLN B O 1 ATOM 1439 C CB . GLN B 2 156 ? -31.804 -32.604 10.040 1.00 48.48 ? 192 GLN B CB 1 ATOM 1440 C CG . GLN B 2 156 ? -31.196 -33.881 9.502 1.00 54.27 ? 192 GLN B CG 1 ATOM 1441 C CD . GLN B 2 156 ? -29.950 -34.284 10.254 1.00 58.72 ? 192 GLN B CD 1 ATOM 1442 O OE1 . GLN B 2 156 ? -28.862 -34.368 9.678 1.00 60.15 ? 192 GLN B OE1 1 ATOM 1443 N NE2 . GLN B 2 156 ? -30.099 -34.537 11.554 1.00 61.18 ? 192 GLN B NE2 1 ATOM 1444 N N . PRO B 2 157 ? -33.674 -30.602 11.737 1.00 40.38 ? 193 PRO B N 1 ATOM 1445 C CA . PRO B 2 157 ? -34.820 -29.689 11.696 1.00 36.08 ? 193 PRO B CA 1 ATOM 1446 C C . PRO B 2 157 ? -34.882 -28.977 10.348 1.00 32.91 ? 193 PRO B C 1 ATOM 1447 O O . PRO B 2 157 ? -33.931 -29.018 9.571 1.00 32.98 ? 193 PRO B O 1 ATOM 1448 C CB . PRO B 2 157 ? -34.551 -28.721 12.855 1.00 36.34 ? 193 PRO B CB 1 ATOM 1449 C CG . PRO B 2 157 ? -33.051 -28.701 12.994 1.00 36.00 ? 193 PRO B CG 1 ATOM 1450 C CD . PRO B 2 157 ? -32.484 -29.960 12.325 1.00 37.62 ? 193 PRO B CD 1 ATOM 1451 N N . SER B 2 158 ? -35.999 -28.318 10.080 1.00 30.75 ? 194 SER B N 1 ATOM 1452 C CA . SER B 2 158 ? -36.164 -27.591 8.829 1.00 29.75 ? 194 SER B CA 1 ATOM 1453 C C . SER B 2 158 ? -35.717 -26.144 9.013 1.00 27.35 ? 194 SER B C 1 ATOM 1454 O O . SER B 2 158 ? -35.197 -25.512 8.088 1.00 27.95 ? 194 SER B O 1 ATOM 1455 C CB . SER B 2 158 ? -37.629 -27.634 8.391 1.00 30.36 ? 194 SER B CB 1 ATOM 1456 O OG . SER B 2 158 ? -37.761 -27.040 7.119 1.00 37.76 ? 194 SER B OG 1 ATOM 1457 N N . VAL B 2 159 ? -35.914 -25.625 10.218 1.00 24.22 ? 195 VAL B N 1 ATOM 1458 C CA . VAL B 2 159 ? -35.516 -24.252 10.529 1.00 24.47 ? 195 VAL B CA 1 ATOM 1459 C C . VAL B 2 159 ? -34.815 -24.191 11.893 1.00 21.69 ? 195 VAL B C 1 ATOM 1460 O O . VAL B 2 159 ? -34.924 -25.125 12.703 1.00 19.60 ? 195 VAL B O 1 ATOM 1461 C CB . VAL B 2 159 ? -36.742 -23.314 10.557 1.00 21.97 ? 195 VAL B CB 1 ATOM 1462 C CG1 . VAL B 2 159 ? -37.490 -23.384 9.218 1.00 25.15 ? 195 VAL B CG1 1 ATOM 1463 C CG2 . VAL B 2 159 ? -37.652 -23.696 11.692 1.00 22.08 ? 195 VAL B CG2 1 ATOM 1464 N N . LEU B 2 160 ? -34.102 -23.091 12.133 1.00 20.71 ? 196 LEU B N 1 ATOM 1465 C CA . LEU B 2 160 ? -33.383 -22.881 13.390 1.00 20.11 ? 196 LEU B CA 1 ATOM 1466 C C . LEU B 2 160 ? -34.227 -23.268 14.613 1.00 18.96 ? 196 LEU B C 1 ATOM 1467 O O . LEU B 2 160 ? -35.402 -22.924 14.692 1.00 24.21 ? 196 LEU B O 1 ATOM 1468 C CB . LEU B 2 160 ? -32.953 -21.407 13.501 1.00 18.92 ? 196 LEU B CB 1 ATOM 1469 C CG . LEU B 2 160 ? -32.060 -21.049 14.701 1.00 19.21 ? 196 LEU B CG 1 ATOM 1470 C CD1 . LEU B 2 160 ? -30.635 -21.616 14.466 1.00 16.72 ? 196 LEU B CD1 1 ATOM 1471 C CD2 . LEU B 2 160 ? -32.005 -19.506 14.861 1.00 19.38 ? 196 LEU B CD2 1 ATOM 1472 N N . GLN B 2 161 ? -33.629 -23.984 15.564 1.00 17.93 ? 197 GLN B N 1 ATOM 1473 C CA . GLN B 2 161 ? -34.324 -24.408 16.786 1.00 17.68 ? 197 GLN B CA 1 ATOM 1474 C C . GLN B 2 161 ? -33.798 -23.601 17.976 1.00 17.06 ? 197 GLN B C 1 ATOM 1475 O O . GLN B 2 161 ? -32.698 -23.074 17.922 1.00 16.35 ? 197 GLN B O 1 ATOM 1476 C CB . GLN B 2 161 ? -34.084 -25.905 17.064 1.00 18.54 ? 197 GLN B CB 1 ATOM 1477 C CG . GLN B 2 161 ? -34.637 -26.860 16.014 1.00 17.12 ? 197 GLN B CG 1 ATOM 1478 C CD . GLN B 2 161 ? -36.145 -26.802 15.918 1.00 17.99 ? 197 GLN B CD 1 ATOM 1479 O OE1 . GLN B 2 161 ? -36.855 -27.157 16.855 1.00 18.72 ? 197 GLN B OE1 1 ATOM 1480 N NE2 . GLN B 2 161 ? -36.640 -26.329 14.786 1.00 20.03 ? 197 GLN B NE2 1 ATOM 1481 N N . VAL B 2 162 ? -34.567 -23.545 19.056 1.00 19.12 ? 198 VAL B N 1 ATOM 1482 C CA . VAL B 2 162 ? -34.176 -22.782 20.237 1.00 19.67 ? 198 VAL B CA 1 ATOM 1483 C C . VAL B 2 162 ? -34.630 -23.475 21.511 1.00 19.10 ? 198 VAL B C 1 ATOM 1484 O O . VAL B 2 162 ? -35.683 -24.096 21.533 1.00 20.71 ? 198 VAL B O 1 ATOM 1485 C CB . VAL B 2 162 ? -34.840 -21.369 20.222 1.00 21.11 ? 198 VAL B CB 1 ATOM 1486 C CG1 . VAL B 2 162 ? -36.353 -21.522 20.080 1.00 23.62 ? 198 VAL B CG1 1 ATOM 1487 C CG2 . VAL B 2 162 ? -34.537 -20.607 21.528 1.00 20.84 ? 198 VAL B CG2 1 ATOM 1488 N N . VAL B 2 163 ? -33.850 -23.357 22.576 1.00 18.84 ? 199 VAL B N 1 ATOM 1489 C CA . VAL B 2 163 ? -34.240 -23.933 23.864 1.00 17.56 ? 199 VAL B CA 1 ATOM 1490 C C . VAL B 2 163 ? -33.628 -23.085 24.973 1.00 17.21 ? 199 VAL B C 1 ATOM 1491 O O . VAL B 2 163 ? -32.511 -22.593 24.824 1.00 19.18 ? 199 VAL B O 1 ATOM 1492 C CB . VAL B 2 163 ? -33.761 -25.421 24.024 1.00 17.92 ? 199 VAL B CB 1 ATOM 1493 C CG1 . VAL B 2 163 ? -32.241 -25.501 24.018 1.00 13.00 ? 199 VAL B CG1 1 ATOM 1494 C CG2 . VAL B 2 163 ? -34.300 -26.003 25.330 1.00 14.72 ? 199 VAL B CG2 1 ATOM 1495 N N . ASN B 2 164 ? -34.357 -22.902 26.070 1.00 17.79 ? 200 ASN B N 1 ATOM 1496 C CA . ASN B 2 164 ? -33.870 -22.128 27.202 1.00 17.90 ? 200 ASN B CA 1 ATOM 1497 C C . ASN B 2 164 ? -33.508 -23.114 28.299 1.00 19.02 ? 200 ASN B C 1 ATOM 1498 O O . ASN B 2 164 ? -34.291 -24.003 28.603 1.00 20.50 ? 200 ASN B O 1 ATOM 1499 C CB . ASN B 2 164 ? -34.953 -21.164 27.709 1.00 17.93 ? 200 ASN B CB 1 ATOM 1500 C CG . ASN B 2 164 ? -35.434 -20.210 26.625 1.00 20.15 ? 200 ASN B CG 1 ATOM 1501 O OD1 . ASN B 2 164 ? -34.672 -19.836 25.732 1.00 17.52 ? 200 ASN B OD1 1 ATOM 1502 N ND2 . ASN B 2 164 ? -36.710 -19.822 26.691 1.00 23.09 ? 200 ASN B ND2 1 ATOM 1503 N N . LEU B 2 165 ? -32.334 -22.952 28.903 1.00 16.78 ? 201 LEU B N 1 ATOM 1504 C CA . LEU B 2 165 ? -31.877 -23.875 29.942 1.00 19.17 ? 201 LEU B CA 1 ATOM 1505 C C . LEU B 2 165 ? -31.251 -23.187 31.139 1.00 18.66 ? 201 LEU B C 1 ATOM 1506 O O . LEU B 2 165 ? -30.590 -22.156 30.994 1.00 17.60 ? 201 LEU B O 1 ATOM 1507 C CB . LEU B 2 165 ? -30.844 -24.836 29.362 1.00 17.83 ? 201 LEU B CB 1 ATOM 1508 C CG . LEU B 2 165 ? -31.273 -25.537 28.079 1.00 20.20 ? 201 LEU B CG 1 ATOM 1509 C CD1 . LEU B 2 165 ? -30.041 -25.941 27.275 1.00 21.87 ? 201 LEU B CD1 1 ATOM 1510 C CD2 . LEU B 2 165 ? -32.129 -26.747 28.424 1.00 20.55 ? 201 LEU B CD2 1 ATOM 1511 N N . PRO B 2 166 ? -31.425 -23.765 32.335 1.00 18.57 ? 202 PRO B N 1 ATOM 1512 C CA . PRO B 2 166 ? -30.847 -23.158 33.532 1.00 17.32 ? 202 PRO B CA 1 ATOM 1513 C C . PRO B 2 166 ? -29.380 -23.550 33.720 1.00 20.08 ? 202 PRO B C 1 ATOM 1514 O O . PRO B 2 166 ? -28.955 -24.640 33.316 1.00 19.08 ? 202 PRO B O 1 ATOM 1515 C CB . PRO B 2 166 ? -31.732 -23.682 34.664 1.00 17.46 ? 202 PRO B CB 1 ATOM 1516 C CG . PRO B 2 166 ? -32.242 -25.015 34.159 1.00 17.98 ? 202 PRO B CG 1 ATOM 1517 C CD . PRO B 2 166 ? -32.144 -25.019 32.641 1.00 19.78 ? 202 PRO B CD 1 ATOM 1518 N N . ILE B 2 167 ? -28.611 -22.636 34.306 1.00 17.19 ? 203 ILE B N 1 ATOM 1519 C CA . ILE B 2 167 ? -27.209 -22.869 34.605 1.00 16.33 ? 203 ILE B CA 1 ATOM 1520 C C . ILE B 2 167 ? -27.236 -23.789 35.834 1.00 16.43 ? 203 ILE B C 1 ATOM 1521 O O . ILE B 2 167 ? -28.088 -23.644 36.703 1.00 16.15 ? 203 ILE B O 1 ATOM 1522 C CB . ILE B 2 167 ? -26.505 -21.532 34.922 1.00 16.32 ? 203 ILE B CB 1 ATOM 1523 C CG1 . ILE B 2 167 ? -26.167 -20.822 33.609 1.00 20.56 ? 203 ILE B CG1 1 ATOM 1524 C CG2 . ILE B 2 167 ? -25.218 -21.752 35.693 1.00 14.83 ? 203 ILE B CG2 1 ATOM 1525 C CD1 . ILE B 2 167 ? -26.015 -19.330 33.748 1.00 19.68 ? 203 ILE B CD1 1 ATOM 1526 N N . VAL B 2 168 ? -26.312 -24.733 35.913 1.00 18.53 ? 204 VAL B N 1 ATOM 1527 C CA . VAL B 2 168 ? -26.322 -25.683 37.029 1.00 17.89 ? 204 VAL B CA 1 ATOM 1528 C C . VAL B 2 168 ? -25.148 -25.481 37.994 1.00 17.55 ? 204 VAL B C 1 ATOM 1529 O O . VAL B 2 168 ? -24.070 -25.092 37.579 1.00 16.48 ? 204 VAL B O 1 ATOM 1530 C CB . VAL B 2 168 ? -26.312 -27.144 36.462 1.00 18.14 ? 204 VAL B CB 1 ATOM 1531 C CG1 . VAL B 2 168 ? -26.330 -28.174 37.600 1.00 16.66 ? 204 VAL B CG1 1 ATOM 1532 C CG2 . VAL B 2 168 ? -27.520 -27.351 35.546 1.00 14.72 ? 204 VAL B CG2 1 ATOM 1533 N N . GLU B 2 169 ? -25.381 -25.735 39.278 1.00 20.38 ? 205 GLU B N 1 ATOM 1534 C CA . GLU B 2 169 ? -24.368 -25.612 40.327 1.00 24.32 ? 205 GLU B CA 1 ATOM 1535 C C . GLU B 2 169 ? -23.095 -26.364 39.923 1.00 26.12 ? 205 GLU B C 1 ATOM 1536 O O . GLU B 2 169 ? -23.177 -27.470 39.390 1.00 25.14 ? 205 GLU B O 1 ATOM 1537 C CB . GLU B 2 169 ? -24.900 -26.211 41.631 1.00 28.35 ? 205 GLU B CB 1 ATOM 1538 C CG . GLU B 2 169 ? -26.187 -25.600 42.145 1.00 33.60 ? 205 GLU B CG 1 ATOM 1539 C CD . GLU B 2 169 ? -27.426 -26.161 41.467 1.00 38.14 ? 205 GLU B CD 1 ATOM 1540 O OE1 . GLU B 2 169 ? -27.320 -26.675 40.336 1.00 41.30 ? 205 GLU B OE1 1 ATOM 1541 O OE2 . GLU B 2 169 ? -28.522 -26.080 42.063 1.00 44.85 ? 205 GLU B OE2 1 ATOM 1542 N N . ARG B 2 170 ? -21.931 -25.772 40.187 1.00 22.87 ? 206 ARG B N 1 ATOM 1543 C CA . ARG B 2 170 ? -20.649 -26.390 39.834 1.00 25.30 ? 206 ARG B CA 1 ATOM 1544 C C . ARG B 2 170 ? -20.471 -27.837 40.367 1.00 23.99 ? 206 ARG B C 1 ATOM 1545 O O . ARG B 2 170 ? -20.078 -28.723 39.612 1.00 23.13 ? 206 ARG B O 1 ATOM 1546 C CB . ARG B 2 170 ? -19.485 -25.497 40.300 1.00 27.47 ? 206 ARG B CB 1 ATOM 1547 C CG . ARG B 2 170 ? -18.104 -25.934 39.793 1.00 32.94 ? 206 ARG B CG 1 ATOM 1548 C CD . ARG B 2 170 ? -17.128 -24.755 39.565 1.00 37.56 ? 206 ARG B CD 1 ATOM 1549 N NE . ARG B 2 170 ? -17.526 -23.876 38.462 1.00 37.15 ? 206 ARG B NE 1 ATOM 1550 C CZ . ARG B 2 170 ? -17.070 -23.963 37.214 1.00 37.28 ? 206 ARG B CZ 1 ATOM 1551 N NH1 . ARG B 2 170 ? -16.182 -24.892 36.881 1.00 37.57 ? 206 ARG B NH1 1 ATOM 1552 N NH2 . ARG B 2 170 ? -17.513 -23.119 36.288 1.00 38.68 ? 206 ARG B NH2 1 ATOM 1553 N N . PRO B 2 171 ? -20.762 -28.087 41.660 1.00 22.83 ? 207 PRO B N 1 ATOM 1554 C CA . PRO B 2 171 ? -20.628 -29.430 42.254 1.00 22.98 ? 207 PRO B CA 1 ATOM 1555 C C . PRO B 2 171 ? -21.415 -30.475 41.467 1.00 23.51 ? 207 PRO B C 1 ATOM 1556 O O . PRO B 2 171 ? -20.914 -31.566 41.185 1.00 24.21 ? 207 PRO B O 1 ATOM 1557 C CB . PRO B 2 171 ? -21.176 -29.270 43.674 1.00 21.42 ? 207 PRO B CB 1 ATOM 1558 C CG . PRO B 2 171 ? -21.076 -27.812 43.966 1.00 24.68 ? 207 PRO B CG 1 ATOM 1559 C CD . PRO B 2 171 ? -21.234 -27.095 42.645 1.00 22.74 ? 207 PRO B CD 1 ATOM 1560 N N . VAL B 2 172 ? -22.649 -30.127 41.112 1.00 21.55 ? 208 VAL B N 1 ATOM 1561 C CA . VAL B 2 172 ? -23.509 -31.006 40.338 1.00 21.74 ? 208 VAL B CA 1 ATOM 1562 C C . VAL B 2 172 ? -22.899 -31.303 38.963 1.00 22.47 ? 208 VAL B C 1 ATOM 1563 O O . VAL B 2 172 ? -22.929 -32.444 38.495 1.00 21.13 ? 208 VAL B O 1 ATOM 1564 C CB . VAL B 2 172 ? -24.919 -30.378 40.198 1.00 22.17 ? 208 VAL B CB 1 ATOM 1565 C CG1 . VAL B 2 172 ? -25.859 -31.322 39.471 1.00 18.73 ? 208 VAL B CG1 1 ATOM 1566 C CG2 . VAL B 2 172 ? -25.464 -30.061 41.591 1.00 22.46 ? 208 VAL B CG2 1 ATOM 1567 N N . CYS B 2 173 ? -22.333 -30.285 38.318 1.00 20.23 ? 209 CYS B N 1 ATOM 1568 C CA . CYS B 2 173 ? -21.697 -30.474 37.014 1.00 19.93 ? 209 CYS B CA 1 ATOM 1569 C C . CYS B 2 173 ? -20.530 -31.474 37.156 1.00 23.34 ? 209 CYS B C 1 ATOM 1570 O O . CYS B 2 173 ? -20.336 -32.371 36.320 1.00 20.57 ? 209 CYS B O 1 ATOM 1571 C CB . CYS B 2 173 ? -21.141 -29.135 36.495 1.00 22.13 ? 209 CYS B CB 1 ATOM 1572 S SG . CYS B 2 173 ? -22.382 -27.830 36.142 1.00 20.72 ? 209 CYS B SG 1 ATOM 1573 N N . LYS B 2 174 ? -19.754 -31.284 38.220 1.00 23.07 ? 210 LYS B N 1 ATOM 1574 C CA . LYS B 2 174 ? -18.585 -32.103 38.522 1.00 26.98 ? 210 LYS B CA 1 ATOM 1575 C C . LYS B 2 174 ? -18.935 -33.556 38.804 1.00 24.64 ? 210 LYS B C 1 ATOM 1576 O O . LYS B 2 174 ? -18.305 -34.459 38.277 1.00 24.90 ? 210 LYS B O 1 ATOM 1577 C CB . LYS B 2 174 ? -17.859 -31.538 39.741 1.00 31.08 ? 210 LYS B CB 1 ATOM 1578 C CG . LYS B 2 174 ? -16.535 -30.886 39.434 1.00 39.61 ? 210 LYS B CG 1 ATOM 1579 C CD . LYS B 2 174 ? -16.573 -29.407 39.778 1.00 45.00 ? 210 LYS B CD 1 ATOM 1580 C CE . LYS B 2 174 ? -15.905 -29.130 41.118 1.00 49.21 ? 210 LYS B CE 1 ATOM 1581 N NZ . LYS B 2 174 ? -15.223 -27.794 41.121 1.00 50.77 ? 210 LYS B NZ 1 ATOM 1582 N N . ASP B 2 175 ? -19.947 -33.761 39.635 1.00 23.93 ? 211 ASP B N 1 ATOM 1583 C CA . ASP B 2 175 ? -20.377 -35.104 40.020 1.00 24.40 ? 211 ASP B CA 1 ATOM 1584 C C . ASP B 2 175 ? -21.157 -35.894 38.978 1.00 22.98 ? 211 ASP B C 1 ATOM 1585 O O . ASP B 2 175 ? -21.535 -37.033 39.236 1.00 25.80 ? 211 ASP B O 1 ATOM 1586 C CB . ASP B 2 175 ? -21.183 -35.027 41.321 1.00 21.25 ? 211 ASP B CB 1 ATOM 1587 C CG . ASP B 2 175 ? -20.297 -34.772 42.504 1.00 20.86 ? 211 ASP B CG 1 ATOM 1588 O OD1 . ASP B 2 175 ? -19.072 -34.801 42.317 1.00 23.03 ? 211 ASP B OD1 1 ATOM 1589 O OD2 . ASP B 2 175 ? -20.803 -34.547 43.616 1.00 24.59 ? 211 ASP B OD2 1 ATOM 1590 N N . SER B 2 176 ? -21.355 -35.316 37.795 1.00 22.07 ? 212 SER B N 1 ATOM 1591 C CA . SER B 2 176 ? -22.096 -35.964 36.713 1.00 18.67 ? 212 SER B CA 1 ATOM 1592 C C . SER B 2 176 ? -21.205 -36.570 35.639 1.00 20.29 ? 212 SER B C 1 ATOM 1593 O O . SER B 2 176 ? -21.692 -37.192 34.699 1.00 22.44 ? 212 SER B O 1 ATOM 1594 C CB . SER B 2 176 ? -23.031 -34.947 36.042 1.00 24.42 ? 212 SER B CB 1 ATOM 1595 O OG . SER B 2 176 ? -22.315 -34.090 35.146 1.00 23.94 ? 212 SER B OG 1 ATOM 1596 N N . THR B 2 177 ? -19.900 -36.396 35.775 1.00 18.34 ? 213 THR B N 1 ATOM 1597 C CA . THR B 2 177 ? -18.976 -36.882 34.760 1.00 18.35 ? 213 THR B CA 1 ATOM 1598 C C . THR B 2 177 ? -17.648 -37.296 35.371 1.00 17.94 ? 213 THR B C 1 ATOM 1599 O O . THR B 2 177 ? -17.337 -36.919 36.503 1.00 18.46 ? 213 THR B O 1 ATOM 1600 C CB . THR B 2 177 ? -18.705 -35.759 33.725 1.00 17.32 ? 213 THR B CB 1 ATOM 1601 O OG1 . THR B 2 177 ? -17.761 -36.213 32.745 1.00 17.54 ? 213 THR B OG1 1 ATOM 1602 C CG2 . THR B 2 177 ? -18.160 -34.502 34.436 1.00 11.30 ? 213 THR B CG2 1 ATOM 1603 N N . ARG B 2 178 ? -16.877 -38.059 34.607 1.00 19.89 ? 214 ARG B N 1 ATOM 1604 C CA . ARG B 2 178 ? -15.546 -38.519 35.017 1.00 25.29 ? 214 ARG B CA 1 ATOM 1605 C C . ARG B 2 178 ? -14.515 -37.501 34.556 1.00 24.17 ? 214 ARG B C 1 ATOM 1606 O O . ARG B 2 178 ? -13.421 -37.415 35.107 1.00 26.24 ? 214 ARG B O 1 ATOM 1607 C CB . ARG B 2 178 ? -15.211 -39.861 34.357 1.00 26.78 ? 214 ARG B CB 1 ATOM 1608 C CG . ARG B 2 178 ? -15.757 -41.074 35.083 1.00 34.45 ? 214 ARG B CG 1 ATOM 1609 C CD . ARG B 2 178 ? -14.860 -42.287 34.845 1.00 39.86 ? 214 ARG B CD 1 ATOM 1610 N NE . ARG B 2 178 ? -15.613 -43.422 34.325 1.00 44.77 ? 214 ARG B NE 1 ATOM 1611 C CZ . ARG B 2 178 ? -15.205 -44.686 34.395 1.00 44.46 ? 214 ARG B CZ 1 ATOM 1612 N NH1 . ARG B 2 178 ? -14.048 -44.980 34.963 1.00 44.47 ? 214 ARG B NH1 1 ATOM 1613 N NH2 . ARG B 2 178 ? -15.962 -45.655 33.907 1.00 47.28 ? 214 ARG B NH2 1 ATOM 1614 N N . ILE B 2 179 ? -14.867 -36.747 33.518 1.00 25.94 ? 215 ILE B N 1 ATOM 1615 C CA . ILE B 2 179 ? -13.978 -35.731 32.965 1.00 24.76 ? 215 ILE B CA 1 ATOM 1616 C C . ILE B 2 179 ? -13.654 -34.671 34.009 1.00 23.27 ? 215 ILE B C 1 ATOM 1617 O O . ILE B 2 179 ? -14.500 -34.313 34.825 1.00 23.73 ? 215 ILE B O 1 ATOM 1618 C CB . ILE B 2 179 ? -14.621 -35.028 31.750 1.00 26.42 ? 215 ILE B CB 1 ATOM 1619 C CG1 . ILE B 2 179 ? -15.021 -36.071 30.701 1.00 26.28 ? 215 ILE B CG1 1 ATOM 1620 C CG2 . ILE B 2 179 ? -13.648 -34.009 31.155 1.00 25.67 ? 215 ILE B CG2 1 ATOM 1621 C CD1 . ILE B 2 179 ? -13.858 -36.912 30.185 1.00 23.41 ? 215 ILE B CD1 1 ATOM 1622 N N . ARG B 2 180 ? -12.421 -34.187 33.990 1.00 22.45 ? 216 ARG B N 1 ATOM 1623 C CA . ARG B 2 180 ? -12.011 -33.136 34.924 1.00 26.69 ? 216 ARG B CA 1 ATOM 1624 C C . ARG B 2 180 ? -12.492 -31.789 34.347 1.00 24.60 ? 216 ARG B C 1 ATOM 1625 O O . ARG B 2 180 ? -12.083 -31.395 33.255 1.00 25.46 ? 216 ARG B O 1 ATOM 1626 C CB . ARG B 2 180 ? -10.483 -33.123 35.059 1.00 26.52 ? 216 ARG B CB 1 ATOM 1627 C CG . ARG B 2 180 ? -9.922 -31.920 35.812 1.00 32.19 ? 216 ARG B CG 1 ATOM 1628 C CD . ARG B 2 180 ? -8.395 -31.937 35.827 1.00 32.91 ? 216 ARG B CD 1 ATOM 1629 N NE . ARG B 2 180 ? -7.837 -31.583 34.526 1.00 35.54 ? 216 ARG B NE 1 ATOM 1630 C CZ . ARG B 2 180 ? -7.521 -30.341 34.167 1.00 37.32 ? 216 ARG B CZ 1 ATOM 1631 N NH1 . ARG B 2 180 ? -7.708 -29.334 35.015 1.00 36.63 ? 216 ARG B NH1 1 ATOM 1632 N NH2 . ARG B 2 180 ? -7.025 -30.104 32.962 1.00 36.58 ? 216 ARG B NH2 1 ATOM 1633 N N . ILE B 2 181 ? -13.366 -31.089 35.059 1.00 25.00 ? 217 ILE B N 1 ATOM 1634 C CA . ILE B 2 181 ? -13.836 -29.819 34.525 1.00 27.23 ? 217 ILE B CA 1 ATOM 1635 C C . ILE B 2 181 ? -13.088 -28.612 35.105 1.00 26.29 ? 217 ILE B C 1 ATOM 1636 O O . ILE B 2 181 ? -12.745 -28.585 36.283 1.00 29.60 ? 217 ILE B O 1 ATOM 1637 C CB . ILE B 2 181 ? -15.367 -29.671 34.697 1.00 27.44 ? 217 ILE B CB 1 ATOM 1638 C CG1 . ILE B 2 181 ? -15.725 -29.371 36.141 1.00 28.41 ? 217 ILE B CG1 1 ATOM 1639 C CG2 . ILE B 2 181 ? -16.068 -30.936 34.208 1.00 24.58 ? 217 ILE B CG2 1 ATOM 1640 C CD1 . ILE B 2 181 ? -16.859 -28.389 36.246 1.00 36.58 ? 217 ILE B CD1 1 ATOM 1641 N N . THR B 2 182 ? -12.819 -27.622 34.264 1.00 24.01 ? 218 THR B N 1 ATOM 1642 C CA . THR B 2 182 ? -12.076 -26.425 34.681 1.00 22.78 ? 218 THR B CA 1 ATOM 1643 C C . THR B 2 182 ? -12.944 -25.192 34.918 1.00 22.89 ? 218 THR B C 1 ATOM 1644 O O . THR B 2 182 ? -14.162 -25.221 34.717 1.00 21.08 ? 218 THR B O 1 ATOM 1645 C CB . THR B 2 182 ? -11.024 -26.036 33.629 1.00 21.97 ? 218 THR B CB 1 ATOM 1646 O OG1 . THR B 2 182 ? -11.689 -25.515 32.462 1.00 20.93 ? 218 THR B OG1 1 ATOM 1647 C CG2 . THR B 2 182 ? -10.187 -27.242 33.233 1.00 21.19 ? 218 THR B CG2 1 ATOM 1648 N N . ASP B 2 183 ? -12.289 -24.106 35.334 1.00 22.18 ? 219 ASP B N 1 ATOM 1649 C CA . ASP B 2 183 ? -12.955 -22.830 35.605 1.00 23.72 ? 219 ASP B CA 1 ATOM 1650 C C . ASP B 2 183 ? -13.383 -22.181 34.294 1.00 20.47 ? 219 ASP B C 1 ATOM 1651 O O . ASP B 2 183 ? -14.189 -21.265 34.297 1.00 23.42 ? 219 ASP B O 1 ATOM 1652 C CB . ASP B 2 183 ? -12.015 -21.864 36.336 1.00 26.46 ? 219 ASP B CB 1 ATOM 1653 C CG . ASP B 2 183 ? -11.791 -22.239 37.795 1.00 31.58 ? 219 ASP B CG 1 ATOM 1654 O OD1 . ASP B 2 183 ? -12.656 -22.899 38.405 1.00 31.28 ? 219 ASP B OD1 1 ATOM 1655 O OD2 . ASP B 2 183 ? -10.734 -21.857 38.333 1.00 34.93 ? 219 ASP B OD2 1 ATOM 1656 N N . ASN B 2 184 ? -12.825 -22.648 33.181 1.00 19.19 ? 220 ASN B N 1 ATOM 1657 C CA . ASN B 2 184 ? -13.158 -22.114 31.870 1.00 18.05 ? 220 ASN B CA 1 ATOM 1658 C C . ASN B 2 184 ? -14.399 -22.754 31.253 1.00 16.69 ? 220 ASN B C 1 ATOM 1659 O O . ASN B 2 184 ? -14.648 -22.622 30.059 1.00 16.80 ? 220 ASN B O 1 ATOM 1660 C CB . ASN B 2 184 ? -11.971 -22.262 30.927 1.00 17.41 ? 220 ASN B CB 1 ATOM 1661 C CG . ASN B 2 184 ? -10.716 -21.636 31.491 1.00 24.52 ? 220 ASN B CG 1 ATOM 1662 O OD1 . ASN B 2 184 ? -10.738 -20.487 31.954 1.00 18.48 ? 220 ASN B OD1 1 ATOM 1663 N ND2 . ASN B 2 184 ? -9.613 -22.386 31.467 1.00 22.79 ? 220 ASN B ND2 1 ATOM 1664 N N . MET B 2 185 ? -15.168 -23.469 32.060 1.00 17.23 ? 221 MET B N 1 ATOM 1665 C CA . MET B 2 185 ? -16.391 -24.070 31.550 1.00 19.24 ? 221 MET B CA 1 ATOM 1666 C C . MET B 2 185 ? -17.470 -24.045 32.607 1.00 16.94 ? 221 MET B C 1 ATOM 1667 O O . MET B 2 185 ? -17.183 -23.878 33.780 1.00 18.08 ? 221 MET B O 1 ATOM 1668 C CB . MET B 2 185 ? -16.179 -25.536 31.094 1.00 21.09 ? 221 MET B CB 1 ATOM 1669 C CG . MET B 2 185 ? -14.877 -26.196 31.478 1.00 22.38 ? 221 MET B CG 1 ATOM 1670 S SD . MET B 2 185 ? -14.847 -28.018 31.199 1.00 22.66 ? 221 MET B SD 1 ATOM 1671 C CE . MET B 2 185 ? -13.331 -28.158 30.384 1.00 18.82 ? 221 MET B CE 1 ATOM 1672 N N . PHE B 2 186 ? -18.720 -24.145 32.166 1.00 16.02 ? 222 PHE B N 1 ATOM 1673 C CA . PHE B 2 186 ? -19.846 -24.241 33.073 1.00 16.02 ? 222 PHE B CA 1 ATOM 1674 C C . PHE B 2 186 ? -20.822 -25.212 32.388 1.00 15.44 ? 222 PHE B C 1 ATOM 1675 O O . PHE B 2 186 ? -20.720 -25.450 31.182 1.00 16.08 ? 222 PHE B O 1 ATOM 1676 C CB . PHE B 2 186 ? -20.483 -22.857 33.387 1.00 15.95 ? 222 PHE B CB 1 ATOM 1677 C CG . PHE B 2 186 ? -21.164 -22.188 32.218 1.00 19.22 ? 222 PHE B CG 1 ATOM 1678 C CD1 . PHE B 2 186 ? -22.499 -22.465 31.919 1.00 17.97 ? 222 PHE B CD1 1 ATOM 1679 C CD2 . PHE B 2 186 ? -20.480 -21.240 31.438 1.00 19.12 ? 222 PHE B CD2 1 ATOM 1680 C CE1 . PHE B 2 186 ? -23.148 -21.812 30.861 1.00 20.06 ? 222 PHE B CE1 1 ATOM 1681 C CE2 . PHE B 2 186 ? -21.119 -20.582 30.378 1.00 19.43 ? 222 PHE B CE2 1 ATOM 1682 C CZ . PHE B 2 186 ? -22.454 -20.866 30.086 1.00 21.17 ? 222 PHE B CZ 1 ATOM 1683 N N . CYS B 2 187 ? -21.725 -25.816 33.150 1.00 15.94 ? 223 CYS B N 1 ATOM 1684 C CA . CYS B 2 187 ? -22.663 -26.745 32.534 1.00 18.12 ? 223 CYS B CA 1 ATOM 1685 C C . CYS B 2 187 ? -24.071 -26.231 32.725 1.00 17.68 ? 223 CYS B C 1 ATOM 1686 O O . CYS B 2 187 ? -24.335 -25.443 33.634 1.00 19.02 ? 223 CYS B O 1 ATOM 1687 C CB . CYS B 2 187 ? -22.491 -28.168 33.117 1.00 17.20 ? 223 CYS B CB 1 ATOM 1688 S SG . CYS B 2 187 ? -23.442 -28.595 34.602 1.00 19.60 ? 223 CYS B SG 1 ATOM 1689 N N . ALA B 2 188 ? -24.973 -26.659 31.856 1.00 17.92 ? 224 ALA B N 1 ATOM 1690 C CA . ALA B 2 188 ? -26.363 -26.222 31.939 1.00 20.83 ? 224 ALA B CA 1 ATOM 1691 C C . ALA B 2 188 ? -27.364 -27.300 31.521 1.00 19.81 ? 224 ALA B C 1 ATOM 1692 O O . ALA B 2 188 ? -27.067 -28.182 30.711 1.00 22.94 ? 224 ALA B O 1 ATOM 1693 C CB . ALA B 2 188 ? -26.569 -24.966 31.074 1.00 20.06 ? 224 ALA B CB 1 ATOM 1694 N N . GLY B 2 189 ? -28.570 -27.208 32.068 1.00 21.64 ? 225 GLY B N 1 ATOM 1695 C CA . GLY B 2 189 ? -29.593 -28.172 31.729 1.00 22.50 ? 225 GLY B CA 1 ATOM 1696 C C . GLY B 2 189 ? -30.493 -28.432 32.901 1.00 24.15 ? 225 GLY B C 1 ATOM 1697 O O . GLY B 2 189 ? -30.225 -27.990 34.016 1.00 23.14 ? 225 GLY B O 1 ATOM 1698 N N . TYR B 2 190 ? -31.579 -29.143 32.641 1.00 26.22 ? 226 TYR B N 1 ATOM 1699 C CA . TYR B 2 190 ? -32.515 -29.469 33.693 1.00 27.26 ? 226 TYR B CA 1 ATOM 1700 C C . TYR B 2 190 ? -32.062 -30.739 34.400 1.00 28.48 ? 226 TYR B C 1 ATOM 1701 O O . TYR B 2 190 ? -31.381 -31.578 33.802 1.00 28.47 ? 226 TYR B O 1 ATOM 1702 C CB . TYR B 2 190 ? -33.897 -29.675 33.090 1.00 27.13 ? 226 TYR B CB 1 ATOM 1703 C CG . TYR B 2 190 ? -34.543 -28.384 32.672 1.00 26.54 ? 226 TYR B CG 1 ATOM 1704 C CD1 . TYR B 2 190 ? -34.673 -28.043 31.323 1.00 26.51 ? 226 TYR B CD1 1 ATOM 1705 C CD2 . TYR B 2 190 ? -35.027 -27.496 33.629 1.00 26.89 ? 226 TYR B CD2 1 ATOM 1706 C CE1 . TYR B 2 190 ? -35.280 -26.832 30.943 1.00 24.51 ? 226 TYR B CE1 1 ATOM 1707 C CE2 . TYR B 2 190 ? -35.628 -26.292 33.258 1.00 26.09 ? 226 TYR B CE2 1 ATOM 1708 C CZ . TYR B 2 190 ? -35.752 -25.971 31.924 1.00 25.54 ? 226 TYR B CZ 1 ATOM 1709 O OH . TYR B 2 190 ? -36.363 -24.784 31.594 1.00 30.03 ? 226 TYR B OH 1 ATOM 1710 N N . LYS B 2 191 ? -32.424 -30.851 35.674 1.00 30.25 ? 227 LYS B N 1 ATOM 1711 C CA . LYS B 2 191 ? -32.117 -32.026 36.491 1.00 33.92 ? 227 LYS B CA 1 ATOM 1712 C C . LYS B 2 191 ? -33.226 -33.057 36.227 1.00 37.18 ? 227 LYS B C 1 ATOM 1713 O O . LYS B 2 191 ? -34.319 -32.698 35.784 1.00 37.66 ? 227 LYS B O 1 ATOM 1714 C CB . LYS B 2 191 ? -32.094 -31.643 37.972 1.00 30.78 ? 227 LYS B CB 1 ATOM 1715 C CG . LYS B 2 191 ? -30.828 -30.912 38.382 1.00 33.83 ? 227 LYS B CG 1 ATOM 1716 C CD . LYS B 2 191 ? -31.048 -30.068 39.617 1.00 36.50 ? 227 LYS B CD 1 ATOM 1717 C CE . LYS B 2 191 ? -29.765 -29.360 40.039 1.00 38.95 ? 227 LYS B CE 1 ATOM 1718 N NZ . LYS B 2 191 ? -29.938 -27.879 40.077 1.00 40.26 ? 227 LYS B NZ 1 ATOM 1719 N N . PRO B 2 192 ? -32.967 -34.347 36.506 1.00 40.60 ? 228 PRO B N 1 ATOM 1720 C CA . PRO B 2 192 ? -33.974 -35.396 36.273 1.00 41.80 ? 228 PRO B CA 1 ATOM 1721 C C . PRO B 2 192 ? -35.329 -35.173 36.945 1.00 43.32 ? 228 PRO B C 1 ATOM 1722 O O . PRO B 2 192 ? -36.360 -35.617 36.444 1.00 43.94 ? 228 PRO B O 1 ATOM 1723 C CB . PRO B 2 192 ? -33.294 -36.674 36.773 1.00 41.55 ? 228 PRO B CB 1 ATOM 1724 C CG . PRO B 2 192 ? -31.836 -36.367 36.762 1.00 41.11 ? 228 PRO B CG 1 ATOM 1725 C CD . PRO B 2 192 ? -31.722 -34.897 37.069 1.00 40.56 ? 228 PRO B CD 1 ATOM 1726 N N . ASP B 2 193 ? -35.328 -34.475 38.071 1.00 45.83 ? 229 ASP B N 1 ATOM 1727 C CA . ASP B 2 193 ? -36.561 -34.232 38.802 1.00 50.13 ? 229 ASP B CA 1 ATOM 1728 C C . ASP B 2 193 ? -37.284 -32.931 38.460 1.00 51.39 ? 229 ASP B C 1 ATOM 1729 O O . ASP B 2 193 ? -38.342 -32.652 39.026 1.00 52.76 ? 229 ASP B O 1 ATOM 1730 C CB . ASP B 2 193 ? -36.275 -34.247 40.301 1.00 53.90 ? 229 ASP B CB 1 ATOM 1731 C CG . ASP B 2 193 ? -36.031 -32.853 40.859 1.00 59.30 ? 229 ASP B CG 1 ATOM 1732 O OD1 . ASP B 2 193 ? -37.001 -32.208 41.316 1.00 61.88 ? 229 ASP B OD1 1 ATOM 1733 O OD2 . ASP B 2 193 ? -34.869 -32.396 40.838 1.00 61.13 ? 229 ASP B OD2 1 ATOM 1734 N N . GLU B 2 194 ? -36.737 -32.136 37.545 1.00 50.41 ? 230 GLU B N 1 ATOM 1735 C CA . GLU B 2 194 ? -37.366 -30.866 37.215 1.00 49.58 ? 230 GLU B CA 1 ATOM 1736 C C . GLU B 2 194 ? -38.509 -30.973 36.215 1.00 50.19 ? 230 GLU B C 1 ATOM 1737 O O . GLU B 2 194 ? -39.257 -30.009 36.014 1.00 50.99 ? 230 GLU B O 1 ATOM 1738 C CB . GLU B 2 194 ? -36.307 -29.873 36.730 1.00 48.75 ? 230 GLU B CB 1 ATOM 1739 C CG . GLU B 2 194 ? -35.220 -29.633 37.771 1.00 49.19 ? 230 GLU B CG 1 ATOM 1740 C CD . GLU B 2 194 ? -34.388 -28.385 37.515 1.00 48.95 ? 230 GLU B CD 1 ATOM 1741 O OE1 . GLU B 2 194 ? -33.401 -28.462 36.754 1.00 46.30 ? 230 GLU B OE1 1 ATOM 1742 O OE2 . GLU B 2 194 ? -34.717 -27.327 38.085 1.00 51.17 ? 230 GLU B OE2 1 ATOM 1743 N N . GLY B 2 195 ? -38.653 -32.138 35.591 1.00 48.07 ? 231 GLY B N 1 ATOM 1744 C CA . GLY B 2 195 ? -39.741 -32.326 34.647 1.00 47.08 ? 231 GLY B CA 1 ATOM 1745 C C . GLY B 2 195 ? -39.743 -31.422 33.428 1.00 46.23 ? 231 GLY B C 1 ATOM 1746 O O . GLY B 2 195 ? -40.793 -30.942 32.997 1.00 47.19 ? 231 GLY B O 1 ATOM 1747 N N . LYS B 2 196 ? -38.560 -31.183 32.877 1.00 44.66 ? 232 LYS B N 1 ATOM 1748 C CA . LYS B 2 196 ? -38.393 -30.368 31.678 1.00 39.58 ? 232 LYS B CA 1 ATOM 1749 C C . LYS B 2 196 ? -37.092 -30.875 31.113 1.00 35.50 ? 232 LYS B C 1 ATOM 1750 O O . LYS B 2 196 ? -36.171 -31.160 31.864 1.00 36.07 ? 232 LYS B O 1 ATOM 1751 C CB . LYS B 2 196 ? -38.273 -28.891 32.027 1.00 41.97 ? 232 LYS B CB 1 ATOM 1752 C CG . LYS B 2 196 ? -39.537 -28.280 32.583 1.00 43.75 ? 232 LYS B CG 1 ATOM 1753 C CD . LYS B 2 196 ? -39.291 -26.838 33.000 1.00 46.96 ? 232 LYS B CD 1 ATOM 1754 C CE . LYS B 2 196 ? -39.549 -25.879 31.844 1.00 48.00 ? 232 LYS B CE 1 ATOM 1755 N NZ . LYS B 2 196 ? -39.283 -26.511 30.518 1.00 48.75 ? 232 LYS B NZ 1 ATOM 1756 N N . ARG B 2 197 ? -37.018 -31.003 29.798 1.00 33.21 ? 233 ARG B N 1 ATOM 1757 C CA . ARG B 2 197 ? -35.816 -31.513 29.154 1.00 31.43 ? 233 ARG B CA 1 ATOM 1758 C C . ARG B 2 197 ? -35.274 -30.487 28.180 1.00 27.51 ? 233 ARG B C 1 ATOM 1759 O O . ARG B 2 197 ? -35.800 -29.387 28.086 1.00 29.42 ? 233 ARG B O 1 ATOM 1760 C CB . ARG B 2 197 ? -36.139 -32.814 28.404 1.00 32.75 ? 233 ARG B CB 1 ATOM 1761 C CG . ARG B 2 197 ? -37.396 -33.519 28.901 1.00 35.42 ? 233 ARG B CG 1 ATOM 1762 C CD . ARG B 2 197 ? -37.409 -35.016 28.577 1.00 34.83 ? 233 ARG B CD 1 ATOM 1763 N NE . ARG B 2 197 ? -36.071 -35.549 28.344 1.00 34.18 ? 233 ARG B NE 1 ATOM 1764 C CZ . ARG B 2 197 ? -35.357 -36.195 29.257 1.00 33.81 ? 233 ARG B CZ 1 ATOM 1765 N NH1 . ARG B 2 197 ? -35.851 -36.392 30.472 1.00 34.84 ? 233 ARG B NH1 1 ATOM 1766 N NH2 . ARG B 2 197 ? -34.144 -36.635 28.958 1.00 33.79 ? 233 ARG B NH2 1 ATOM 1767 N N . GLY B 2 198 ? -34.233 -30.852 27.447 1.00 23.59 ? 234 GLY B N 1 ATOM 1768 C CA . GLY B 2 198 ? -33.662 -29.931 26.483 1.00 22.70 ? 234 GLY B CA 1 ATOM 1769 C C . GLY B 2 198 ? -32.148 -29.963 26.516 1.00 20.15 ? 234 GLY B C 1 ATOM 1770 O O . GLY B 2 198 ? -31.540 -30.037 27.583 1.00 22.70 ? 234 GLY B O 1 ATOM 1771 N N . ASP B 2 199 ? -31.525 -29.893 25.350 1.00 20.14 ? 235 ASP B N 1 ATOM 1772 C CA . ASP B 2 199 ? -30.079 -29.949 25.295 1.00 21.59 ? 235 ASP B CA 1 ATOM 1773 C C . ASP B 2 199 ? -29.649 -29.586 23.887 1.00 21.11 ? 235 ASP B C 1 ATOM 1774 O O . ASP B 2 199 ? -30.486 -29.467 22.982 1.00 19.65 ? 235 ASP B O 1 ATOM 1775 C CB . ASP B 2 199 ? -29.635 -31.391 25.628 1.00 23.00 ? 235 ASP B CB 1 ATOM 1776 C CG . ASP B 2 199 ? -28.131 -31.526 25.898 1.00 27.93 ? 235 ASP B CG 1 ATOM 1777 O OD1 . ASP B 2 199 ? -27.408 -30.500 25.933 1.00 22.99 ? 235 ASP B OD1 1 ATOM 1778 O OD2 . ASP B 2 199 ? -27.672 -32.685 26.074 1.00 25.00 ? 235 ASP B OD2 1 ATOM 1779 N N . ALA B 2 200 ? -28.348 -29.387 23.713 1.00 18.59 ? 236 ALA B N 1 ATOM 1780 C CA . ALA B 2 200 ? -27.818 -29.188 22.413 1.00 19.22 ? 236 ALA B CA 1 ATOM 1781 C C . ALA B 2 200 ? -27.472 -30.549 21.922 1.00 20.29 ? 236 ALA B C 1 ATOM 1782 O O . ALA B 2 200 ? -27.546 -31.536 22.644 1.00 20.90 ? 236 ALA B O 1 ATOM 1783 C CB . ALA B 2 200 ? -26.552 -28.339 22.533 1.00 17.36 ? 236 ALA B CB 1 ATOM 1784 N N . CYS B 2 201 ? -27.101 -30.707 20.657 1.00 21.81 ? 237 CYS B N 1 ATOM 1785 C CA . CYS B 2 201 ? -26.728 -32.025 20.133 1.00 24.06 ? 237 CYS B CA 1 ATOM 1786 C C . CYS B 2 201 ? -25.775 -31.830 18.958 1.00 25.83 ? 237 CYS B C 1 ATOM 1787 O O . CYS B 2 201 ? -25.387 -30.699 18.643 1.00 24.01 ? 237 CYS B O 1 ATOM 1788 C CB . CYS B 2 201 ? -27.973 -32.822 19.693 1.00 26.89 ? 237 CYS B CB 1 ATOM 1789 S SG . CYS B 2 201 ? -27.764 -34.654 19.702 1.00 26.15 ? 237 CYS B SG 1 ATOM 1790 N N . GLU B 2 202 ? -25.384 -32.929 18.320 1.00 25.41 ? 238 GLU B N 1 ATOM 1791 C CA . GLU B 2 202 ? -24.466 -32.886 17.196 1.00 25.01 ? 238 GLU B CA 1 ATOM 1792 C C . GLU B 2 202 ? -24.879 -31.839 16.161 1.00 24.87 ? 238 GLU B C 1 ATOM 1793 O O . GLU B 2 202 ? -26.038 -31.808 15.745 1.00 26.91 ? 238 GLU B O 1 ATOM 1794 C CB . GLU B 2 202 ? -24.405 -34.265 16.527 1.00 26.75 ? 238 GLU B CB 1 ATOM 1795 C CG . GLU B 2 202 ? -23.373 -34.354 15.419 1.00 29.46 ? 238 GLU B CG 1 ATOM 1796 C CD . GLU B 2 202 ? -23.234 -35.759 14.843 1.00 33.11 ? 238 GLU B CD 1 ATOM 1797 O OE1 . GLU B 2 202 ? -23.743 -36.721 15.459 1.00 33.73 ? 238 GLU B OE1 1 ATOM 1798 O OE2 . GLU B 2 202 ? -22.607 -35.892 13.769 1.00 35.21 ? 238 GLU B OE2 1 ATOM 1799 N N . GLY B 2 203 ? -23.930 -31.006 15.730 1.00 21.54 ? 239 GLY B N 1 ATOM 1800 C CA . GLY B 2 203 ? -24.237 -29.974 14.750 1.00 19.51 ? 239 GLY B CA 1 ATOM 1801 C C . GLY B 2 203 ? -24.484 -28.602 15.377 1.00 18.29 ? 239 GLY B C 1 ATOM 1802 O O . GLY B 2 203 ? -24.383 -27.577 14.703 1.00 15.94 ? 239 GLY B O 1 ATOM 1803 N N . ASP B 2 204 ? -24.810 -28.591 16.666 1.00 16.04 ? 240 ASP B N 1 ATOM 1804 C CA . ASP B 2 204 ? -25.070 -27.363 17.420 1.00 17.86 ? 240 ASP B CA 1 ATOM 1805 C C . ASP B 2 204 ? -23.820 -26.763 18.078 1.00 19.62 ? 240 ASP B C 1 ATOM 1806 O O . ASP B 2 204 ? -23.778 -25.554 18.362 1.00 17.12 ? 240 ASP B O 1 ATOM 1807 C CB . ASP B 2 204 ? -26.066 -27.631 18.540 1.00 14.51 ? 240 ASP B CB 1 ATOM 1808 C CG . ASP B 2 204 ? -27.471 -27.853 18.043 1.00 19.84 ? 240 ASP B CG 1 ATOM 1809 O OD1 . ASP B 2 204 ? -28.169 -28.688 18.654 1.00 19.62 ? 240 ASP B OD1 1 ATOM 1810 O OD2 . ASP B 2 204 ? -27.886 -27.205 17.052 1.00 18.67 ? 240 ASP B OD2 1 ATOM 1811 N N . SER B 2 205 ? -22.813 -27.596 18.347 1.00 19.10 ? 241 SER B N 1 ATOM 1812 C CA . SER B 2 205 ? -21.624 -27.090 19.026 1.00 18.56 ? 241 SER B CA 1 ATOM 1813 C C . SER B 2 205 ? -21.005 -25.916 18.276 1.00 18.65 ? 241 SER B C 1 ATOM 1814 O O . SER B 2 205 ? -21.211 -25.731 17.054 1.00 15.42 ? 241 SER B O 1 ATOM 1815 C CB . SER B 2 205 ? -20.605 -28.222 19.324 1.00 19.27 ? 241 SER B CB 1 ATOM 1816 O OG . SER B 2 205 ? -19.965 -28.716 18.176 1.00 18.74 ? 241 SER B OG 1 ATOM 1817 N N . GLY B 2 206 ? -20.290 -25.092 19.038 1.00 17.77 ? 242 GLY B N 1 ATOM 1818 C CA . GLY B 2 206 ? -19.686 -23.896 18.479 1.00 16.91 ? 242 GLY B CA 1 ATOM 1819 C C . GLY B 2 206 ? -20.681 -22.752 18.564 1.00 18.79 ? 242 GLY B C 1 ATOM 1820 O O . GLY B 2 206 ? -20.302 -21.581 18.469 1.00 21.85 ? 242 GLY B O 1 ATOM 1821 N N . GLY B 2 207 ? -21.956 -23.088 18.756 1.00 18.36 ? 243 GLY B N 1 ATOM 1822 C CA . GLY B 2 207 ? -23.014 -22.095 18.847 1.00 15.38 ? 243 GLY B CA 1 ATOM 1823 C C . GLY B 2 207 ? -23.056 -21.299 20.139 1.00 17.53 ? 243 GLY B C 1 ATOM 1824 O O . GLY B 2 207 ? -22.407 -21.652 21.127 1.00 14.60 ? 243 GLY B O 1 ATOM 1825 N N . PRO B 2 208 ? -23.843 -20.209 20.171 1.00 17.65 ? 244 PRO B N 1 ATOM 1826 C CA . PRO B 2 208 ? -23.943 -19.365 21.372 1.00 16.00 ? 244 PRO B CA 1 ATOM 1827 C C . PRO B 2 208 ? -24.951 -19.706 22.448 1.00 14.92 ? 244 PRO B C 1 ATOM 1828 O O . PRO B 2 208 ? -26.044 -20.168 22.158 1.00 17.57 ? 244 PRO B O 1 ATOM 1829 C CB . PRO B 2 208 ? -24.252 -17.989 20.786 1.00 19.38 ? 244 PRO B CB 1 ATOM 1830 C CG . PRO B 2 208 ? -25.181 -18.340 19.602 1.00 16.47 ? 244 PRO B CG 1 ATOM 1831 C CD . PRO B 2 208 ? -24.649 -19.670 19.056 1.00 16.04 ? 244 PRO B CD 1 ATOM 1832 N N . PHE B 2 209 ? -24.561 -19.483 23.702 1.00 12.37 ? 245 PHE B N 1 ATOM 1833 C CA . PHE B 2 209 ? -25.422 -19.570 24.823 1.00 12.63 ? 245 PHE B CA 1 ATOM 1834 C C . PHE B 2 209 ? -25.622 -18.161 25.240 1.00 14.10 ? 245 PHE B C 1 ATOM 1835 O O . PHE B 2 209 ? -24.704 -17.478 25.673 1.00 10.99 ? 245 PHE B O 1 ATOM 1836 C CB . PHE B 2 209 ? -24.698 -20.344 25.925 1.00 12.15 ? 245 PHE B CB 1 ATOM 1837 C CG . PHE B 2 209 ? -25.520 -20.343 27.182 1.00 13.50 ? 245 PHE B CG 1 ATOM 1838 C CD1 . PHE B 2 209 ? -26.328 -21.436 27.472 1.00 13.42 ? 245 PHE B CD1 1 ATOM 1839 C CD2 . PHE B 2 209 ? -25.381 -19.313 28.099 1.00 14.89 ? 245 PHE B CD2 1 ATOM 1840 C CE1 . PHE B 2 209 ? -26.985 -21.504 28.693 1.00 17.01 ? 245 PHE B CE1 1 ATOM 1841 C CE2 . PHE B 2 209 ? -26.042 -19.390 29.323 1.00 17.40 ? 245 PHE B CE2 1 ATOM 1842 C CZ . PHE B 2 209 ? -26.842 -20.485 29.626 1.00 19.85 ? 245 PHE B CZ 1 ATOM 1843 N N . VAL B 2 210 ? -26.808 -17.579 25.079 1.00 13.99 ? 246 VAL B N 1 ATOM 1844 C CA . VAL B 2 210 ? -26.968 -16.157 25.424 1.00 16.31 ? 246 VAL B CA 1 ATOM 1845 C C . VAL B 2 210 ? -27.925 -15.858 26.554 1.00 15.53 ? 246 VAL B C 1 ATOM 1846 O O . VAL B 2 210 ? -28.769 -16.675 26.906 1.00 19.05 ? 246 VAL B O 1 ATOM 1847 C CB . VAL B 2 210 ? -27.414 -15.295 24.187 1.00 15.59 ? 246 VAL B CB 1 ATOM 1848 C CG1 . VAL B 2 210 ? -26.381 -15.402 23.085 1.00 15.93 ? 246 VAL B CG1 1 ATOM 1849 C CG2 . VAL B 2 210 ? -28.791 -15.746 23.668 1.00 14.90 ? 246 VAL B CG2 1 ATOM 1850 N N . MET B 2 211 ? -27.769 -14.678 27.145 1.00 14.67 ? 247 MET B N 1 ATOM 1851 C CA . MET B 2 211 ? -28.642 -14.236 28.221 1.00 14.52 ? 247 MET B CA 1 ATOM 1852 C C . MET B 2 211 ? -29.044 -12.773 27.956 1.00 17.29 ? 247 MET B C 1 ATOM 1853 O O . MET B 2 211 ? -28.293 -12.019 27.343 1.00 14.00 ? 247 MET B O 1 ATOM 1854 C CB . MET B 2 211 ? -27.932 -14.345 29.571 1.00 14.93 ? 247 MET B CB 1 ATOM 1855 C CG . MET B 2 211 ? -27.819 -15.792 30.062 1.00 20.44 ? 247 MET B CG 1 ATOM 1856 S SD . MET B 2 211 ? -26.776 -15.991 31.500 1.00 19.06 ? 247 MET B SD 1 ATOM 1857 C CE . MET B 2 211 ? -27.979 -15.988 32.738 1.00 13.77 ? 247 MET B CE 1 ATOM 1858 N N . LYS B 2 212 ? -30.230 -12.379 28.412 1.00 18.17 ? 248 LYS B N 1 ATOM 1859 C CA . LYS B 2 212 ? -30.686 -11.006 28.197 1.00 21.09 ? 248 LYS B CA 1 ATOM 1860 C C . LYS B 2 212 ? -30.533 -10.216 29.480 1.00 18.20 ? 248 LYS B C 1 ATOM 1861 O O . LYS B 2 212 ? -31.164 -10.527 30.476 1.00 19.08 ? 248 LYS B O 1 ATOM 1862 C CB . LYS B 2 212 ? -32.154 -10.985 27.748 1.00 19.05 ? 248 LYS B CB 1 ATOM 1863 C CG . LYS B 2 212 ? -32.723 -9.583 27.598 1.00 22.44 ? 248 LYS B CG 1 ATOM 1864 C CD . LYS B 2 212 ? -33.962 -9.555 26.704 1.00 21.36 ? 248 LYS B CD 1 ATOM 1865 C CE . LYS B 2 212 ? -34.537 -8.130 26.611 1.00 20.04 ? 248 LYS B CE 1 ATOM 1866 N NZ . LYS B 2 212 ? -35.496 -7.965 25.481 1.00 17.31 ? 248 LYS B NZ 1 ATOM 1867 N N . SER B 2 213 ? -29.686 -9.199 29.471 1.00 18.03 ? 249 SER B N 1 ATOM 1868 C CA . SER B 2 213 ? -29.512 -8.406 30.687 1.00 19.33 ? 249 SER B CA 1 ATOM 1869 C C . SER B 2 213 ? -30.780 -7.656 31.088 1.00 18.05 ? 249 SER B C 1 ATOM 1870 O O . SER B 2 213 ? -31.400 -6.988 30.273 1.00 19.44 ? 249 SER B O 1 ATOM 1871 C CB . SER B 2 213 ? -28.398 -7.367 30.508 1.00 20.39 ? 249 SER B CB 1 ATOM 1872 O OG . SER B 2 213 ? -28.402 -6.464 31.613 1.00 17.73 ? 249 SER B OG 1 ATOM 1873 N N . PRO B 2 214 ? -31.200 -7.783 32.351 1.00 21.71 ? 250 PRO B N 1 ATOM 1874 C CA . PRO B 2 214 ? -32.406 -7.060 32.783 1.00 20.71 ? 250 PRO B CA 1 ATOM 1875 C C . PRO B 2 214 ? -32.066 -5.595 33.138 1.00 23.73 ? 250 PRO B C 1 ATOM 1876 O O . PRO B 2 214 ? -32.961 -4.787 33.422 1.00 23.20 ? 250 PRO B O 1 ATOM 1877 C CB . PRO B 2 214 ? -32.858 -7.837 34.005 1.00 21.60 ? 250 PRO B CB 1 ATOM 1878 C CG . PRO B 2 214 ? -31.554 -8.344 34.594 1.00 21.94 ? 250 PRO B CG 1 ATOM 1879 C CD . PRO B 2 214 ? -30.632 -8.617 33.426 1.00 19.08 ? 250 PRO B CD 1 ATOM 1880 N N . PHE B 2 215 ? -30.776 -5.262 33.123 1.00 21.88 ? 251 PHE B N 1 ATOM 1881 C CA . PHE B 2 215 ? -30.323 -3.904 33.453 1.00 25.32 ? 251 PHE B CA 1 ATOM 1882 C C . PHE B 2 215 ? -30.298 -2.992 32.241 1.00 24.29 ? 251 PHE B C 1 ATOM 1883 O O . PHE B 2 215 ? -30.652 -1.825 32.335 1.00 23.69 ? 251 PHE B O 1 ATOM 1884 C CB . PHE B 2 215 ? -28.923 -3.932 34.080 1.00 25.34 ? 251 PHE B CB 1 ATOM 1885 C CG . PHE B 2 215 ? -28.802 -4.874 35.230 1.00 31.47 ? 251 PHE B CG 1 ATOM 1886 C CD1 . PHE B 2 215 ? -29.405 -4.583 36.448 1.00 32.88 ? 251 PHE B CD1 1 ATOM 1887 C CD2 . PHE B 2 215 ? -28.132 -6.082 35.085 1.00 32.79 ? 251 PHE B CD2 1 ATOM 1888 C CE1 . PHE B 2 215 ? -29.349 -5.481 37.503 1.00 33.15 ? 251 PHE B CE1 1 ATOM 1889 C CE2 . PHE B 2 215 ? -28.070 -6.993 36.141 1.00 33.68 ? 251 PHE B CE2 1 ATOM 1890 C CZ . PHE B 2 215 ? -28.682 -6.692 37.352 1.00 32.95 ? 251 PHE B CZ 1 ATOM 1891 N N . ASN B 2 216 ? -29.870 -3.509 31.098 1.00 23.13 ? 252 ASN B N 1 ATOM 1892 C CA . ASN B 2 216 ? -29.826 -2.665 29.921 1.00 21.05 ? 252 ASN B CA 1 ATOM 1893 C C . ASN B 2 216 ? -30.520 -3.263 28.709 1.00 21.43 ? 252 ASN B C 1 ATOM 1894 O O . ASN B 2 216 ? -30.415 -2.735 27.603 1.00 18.35 ? 252 ASN B O 1 ATOM 1895 C CB . ASN B 2 216 ? -28.377 -2.281 29.593 1.00 22.12 ? 252 ASN B CB 1 ATOM 1896 C CG . ASN B 2 216 ? -27.539 -3.453 29.110 1.00 22.67 ? 252 ASN B CG 1 ATOM 1897 O OD1 . ASN B 2 216 ? -26.337 -3.299 28.870 1.00 23.39 ? 252 ASN B OD1 1 ATOM 1898 N ND2 . ASN B 2 216 ? -28.154 -4.620 28.965 1.00 17.86 ? 252 ASN B ND2 1 ATOM 1899 N N . ASN B 2 217 ? -31.213 -4.383 28.920 1.00 20.84 ? 253 ASN B N 1 ATOM 1900 C CA . ASN B 2 217 ? -31.964 -5.031 27.857 1.00 20.46 ? 253 ASN B CA 1 ATOM 1901 C C . ASN B 2 217 ? -31.212 -5.576 26.661 1.00 18.38 ? 253 ASN B C 1 ATOM 1902 O O . ASN B 2 217 ? -31.819 -5.814 25.616 1.00 17.89 ? 253 ASN B O 1 ATOM 1903 C CB . ASN B 2 217 ? -33.017 -4.064 27.335 1.00 29.37 ? 253 ASN B CB 1 ATOM 1904 C CG . ASN B 2 217 ? -34.393 -4.447 27.766 1.00 34.70 ? 253 ASN B CG 1 ATOM 1905 O OD1 . ASN B 2 217 ? -34.699 -4.456 28.970 1.00 35.91 ? 253 ASN B OD1 1 ATOM 1906 N ND2 . ASN B 2 217 ? -35.248 -4.783 26.791 1.00 38.25 ? 253 ASN B ND2 1 ATOM 1907 N N . ARG B 2 218 ? -29.906 -5.751 26.782 1.00 13.38 ? 254 ARG B N 1 ATOM 1908 C CA . ARG B 2 218 ? -29.128 -6.277 25.670 1.00 17.85 ? 254 ARG B CA 1 ATOM 1909 C C . ARG B 2 218 ? -28.876 -7.779 25.822 1.00 14.34 ? 254 ARG B C 1 ATOM 1910 O O . ARG B 2 218 ? -28.892 -8.311 26.923 1.00 13.31 ? 254 ARG B O 1 ATOM 1911 C CB . ARG B 2 218 ? -27.773 -5.579 25.587 1.00 16.23 ? 254 ARG B CB 1 ATOM 1912 C CG . ARG B 2 218 ? -27.802 -4.183 25.011 1.00 21.49 ? 254 ARG B CG 1 ATOM 1913 C CD . ARG B 2 218 ? -26.464 -3.510 25.225 1.00 23.25 ? 254 ARG B CD 1 ATOM 1914 N NE . ARG B 2 218 ? -26.562 -2.066 25.048 1.00 28.30 ? 254 ARG B NE 1 ATOM 1915 C CZ . ARG B 2 218 ? -26.286 -1.435 23.912 1.00 31.39 ? 254 ARG B CZ 1 ATOM 1916 N NH1 . ARG B 2 218 ? -25.894 -2.121 22.846 1.00 27.13 ? 254 ARG B NH1 1 ATOM 1917 N NH2 . ARG B 2 218 ? -26.404 -0.109 23.845 1.00 32.40 ? 254 ARG B NH2 1 ATOM 1918 N N . TRP B 2 219 ? -28.632 -8.439 24.700 1.00 13.47 ? 255 TRP B N 1 ATOM 1919 C CA . TRP B 2 219 ? -28.326 -9.862 24.698 1.00 15.57 ? 255 TRP B CA 1 ATOM 1920 C C . TRP B 2 219 ? -26.802 -10.020 24.755 1.00 12.27 ? 255 TRP B C 1 ATOM 1921 O O . TRP B 2 219 ? -26.066 -9.377 23.995 1.00 12.23 ? 255 TRP B O 1 ATOM 1922 C CB . TRP B 2 219 ? -28.873 -10.523 23.433 1.00 13.42 ? 255 TRP B CB 1 ATOM 1923 C CG . TRP B 2 219 ? -30.362 -10.697 23.467 1.00 16.97 ? 255 TRP B CG 1 ATOM 1924 C CD1 . TRP B 2 219 ? -31.290 -9.839 22.960 1.00 18.61 ? 255 TRP B CD1 1 ATOM 1925 C CD2 . TRP B 2 219 ? -31.097 -11.785 24.050 1.00 16.81 ? 255 TRP B CD2 1 ATOM 1926 N NE1 . TRP B 2 219 ? -32.554 -10.314 23.188 1.00 16.48 ? 255 TRP B NE1 1 ATOM 1927 C CE2 . TRP B 2 219 ? -32.471 -11.508 23.856 1.00 18.51 ? 255 TRP B CE2 1 ATOM 1928 C CE3 . TRP B 2 219 ? -30.730 -12.962 24.714 1.00 14.49 ? 255 TRP B CE3 1 ATOM 1929 C CZ2 . TRP B 2 219 ? -33.489 -12.368 24.305 1.00 14.35 ? 255 TRP B CZ2 1 ATOM 1930 C CZ3 . TRP B 2 219 ? -31.746 -13.823 25.163 1.00 13.39 ? 255 TRP B CZ3 1 ATOM 1931 C CH2 . TRP B 2 219 ? -33.111 -13.515 24.952 1.00 16.85 ? 255 TRP B CH2 1 ATOM 1932 N N . TYR B 2 220 ? -26.351 -10.861 25.679 1.00 11.66 ? 256 TYR B N 1 ATOM 1933 C CA . TYR B 2 220 ? -24.920 -11.136 25.890 1.00 14.18 ? 256 TYR B CA 1 ATOM 1934 C C . TYR B 2 220 ? -24.588 -12.623 25.662 1.00 14.05 ? 256 TYR B C 1 ATOM 1935 O O . TYR B 2 220 ? -25.333 -13.486 26.111 1.00 13.89 ? 256 TYR B O 1 ATOM 1936 C CB . TYR B 2 220 ? -24.549 -10.776 27.332 1.00 12.68 ? 256 TYR B CB 1 ATOM 1937 C CG . TYR B 2 220 ? -24.419 -9.276 27.566 1.00 17.68 ? 256 TYR B CG 1 ATOM 1938 C CD1 . TYR B 2 220 ? -23.197 -8.624 27.377 1.00 13.53 ? 256 TYR B CD1 1 ATOM 1939 C CD2 . TYR B 2 220 ? -25.518 -8.522 27.971 1.00 17.50 ? 256 TYR B CD2 1 ATOM 1940 C CE1 . TYR B 2 220 ? -23.072 -7.243 27.591 1.00 19.34 ? 256 TYR B CE1 1 ATOM 1941 C CE2 . TYR B 2 220 ? -25.409 -7.146 28.186 1.00 21.78 ? 256 TYR B CE2 1 ATOM 1942 C CZ . TYR B 2 220 ? -24.182 -6.517 27.992 1.00 21.57 ? 256 TYR B CZ 1 ATOM 1943 O OH . TYR B 2 220 ? -24.084 -5.164 28.197 1.00 22.80 ? 256 TYR B OH 1 ATOM 1944 N N . GLN B 2 221 ? -23.489 -12.918 24.968 1.00 14.28 ? 257 GLN B N 1 ATOM 1945 C CA . GLN B 2 221 ? -23.117 -14.313 24.771 1.00 16.29 ? 257 GLN B CA 1 ATOM 1946 C C . GLN B 2 221 ? -22.256 -14.717 25.971 1.00 16.32 ? 257 GLN B C 1 ATOM 1947 O O . GLN B 2 221 ? -21.105 -14.289 26.087 1.00 14.95 ? 257 GLN B O 1 ATOM 1948 C CB . GLN B 2 221 ? -22.315 -14.524 23.477 1.00 15.09 ? 257 GLN B CB 1 ATOM 1949 C CG . GLN B 2 221 ? -21.860 -16.003 23.325 1.00 14.65 ? 257 GLN B CG 1 ATOM 1950 C CD . GLN B 2 221 ? -21.375 -16.360 21.950 1.00 13.62 ? 257 GLN B CD 1 ATOM 1951 O OE1 . GLN B 2 221 ? -21.426 -15.554 21.026 1.00 18.38 ? 257 GLN B OE1 1 ATOM 1952 N NE2 . GLN B 2 221 ? -20.889 -17.587 21.802 1.00 17.08 ? 257 GLN B NE2 1 ATOM 1953 N N . MET B 2 222 ? -22.811 -15.530 26.860 1.00 16.63 ? 258 MET B N 1 ATOM 1954 C CA . MET B 2 222 ? -22.079 -15.969 28.039 1.00 15.66 ? 258 MET B CA 1 ATOM 1955 C C . MET B 2 222 ? -21.304 -17.263 27.787 1.00 18.49 ? 258 MET B C 1 ATOM 1956 O O . MET B 2 222 ? -20.319 -17.539 28.481 1.00 18.96 ? 258 MET B O 1 ATOM 1957 C CB . MET B 2 222 ? -23.040 -16.208 29.202 1.00 15.30 ? 258 MET B CB 1 ATOM 1958 C CG . MET B 2 222 ? -23.938 -15.036 29.526 1.00 23.74 ? 258 MET B CG 1 ATOM 1959 S SD . MET B 2 222 ? -23.018 -13.515 29.694 1.00 25.17 ? 258 MET B SD 1 ATOM 1960 C CE . MET B 2 222 ? -22.267 -13.694 31.282 1.00 22.39 ? 258 MET B CE 1 ATOM 1961 N N . GLY B 2 223 ? -21.744 -18.059 26.812 1.00 17.96 ? 259 GLY B N 1 ATOM 1962 C CA . GLY B 2 223 ? -21.068 -19.322 26.564 1.00 14.70 ? 259 GLY B CA 1 ATOM 1963 C C . GLY B 2 223 ? -21.003 -19.778 25.126 1.00 14.88 ? 259 GLY B C 1 ATOM 1964 O O . GLY B 2 223 ? -21.603 -19.166 24.237 1.00 15.02 ? 259 GLY B O 1 ATOM 1965 N N . ILE B 2 224 ? -20.219 -20.830 24.895 1.00 12.78 ? 260 ILE B N 1 ATOM 1966 C CA . ILE B 2 224 ? -20.097 -21.450 23.581 1.00 13.88 ? 260 ILE B CA 1 ATOM 1967 C C . ILE B 2 224 ? -20.381 -22.940 23.811 1.00 15.88 ? 260 ILE B C 1 ATOM 1968 O O . ILE B 2 224 ? -19.804 -23.538 24.727 1.00 13.22 ? 260 ILE B O 1 ATOM 1969 C CB . ILE B 2 224 ? -18.676 -21.341 22.997 1.00 16.36 ? 260 ILE B CB 1 ATOM 1970 C CG1 . ILE B 2 224 ? -18.273 -19.876 22.830 1.00 16.30 ? 260 ILE B CG1 1 ATOM 1971 C CG2 . ILE B 2 224 ? -18.621 -22.024 21.639 1.00 11.51 ? 260 ILE B CG2 1 ATOM 1972 C CD1 . ILE B 2 224 ? -16.827 -19.732 22.472 1.00 11.86 ? 260 ILE B CD1 1 ATOM 1973 N N . VAL B 2 225 ? -21.281 -23.522 23.018 1.00 14.55 ? 261 VAL B N 1 ATOM 1974 C CA . VAL B 2 225 ? -21.613 -24.944 23.150 1.00 14.54 ? 261 VAL B CA 1 ATOM 1975 C C . VAL B 2 225 ? -20.303 -25.700 22.914 1.00 14.53 ? 261 VAL B C 1 ATOM 1976 O O . VAL B 2 225 ? -19.737 -25.651 21.825 1.00 13.37 ? 261 VAL B O 1 ATOM 1977 C CB . VAL B 2 225 ? -22.697 -25.368 22.112 1.00 16.28 ? 261 VAL B CB 1 ATOM 1978 C CG1 . VAL B 2 225 ? -23.107 -26.847 22.326 1.00 11.46 ? 261 VAL B CG1 1 ATOM 1979 C CG2 . VAL B 2 225 ? -23.931 -24.498 22.282 1.00 13.38 ? 261 VAL B CG2 1 ATOM 1980 N N . SER B 2 226 ? -19.827 -26.399 23.941 1.00 17.04 ? 262 SER B N 1 ATOM 1981 C CA . SER B 2 226 ? -18.549 -27.089 23.853 1.00 16.61 ? 262 SER B CA 1 ATOM 1982 C C . SER B 2 226 ? -18.623 -28.611 23.747 1.00 16.83 ? 262 SER B C 1 ATOM 1983 O O . SER B 2 226 ? -18.251 -29.172 22.727 1.00 17.68 ? 262 SER B O 1 ATOM 1984 C CB . SER B 2 226 ? -17.680 -26.687 25.058 1.00 14.75 ? 262 SER B CB 1 ATOM 1985 O OG . SER B 2 226 ? -16.366 -27.194 24.932 1.00 16.53 ? 262 SER B OG 1 ATOM 1986 N N . TRP B 2 227 ? -19.088 -29.283 24.792 1.00 17.53 ? 263 TRP B N 1 ATOM 1987 C CA . TRP B 2 227 ? -19.174 -30.736 24.720 1.00 19.92 ? 263 TRP B CA 1 ATOM 1988 C C . TRP B 2 227 ? -20.188 -31.305 25.691 1.00 21.03 ? 263 TRP B C 1 ATOM 1989 O O . TRP B 2 227 ? -20.627 -30.637 26.632 1.00 20.53 ? 263 TRP B O 1 ATOM 1990 C CB . TRP B 2 227 ? -17.786 -31.387 24.966 1.00 20.18 ? 263 TRP B CB 1 ATOM 1991 C CG . TRP B 2 227 ? -17.240 -31.169 26.374 1.00 22.53 ? 263 TRP B CG 1 ATOM 1992 C CD1 . TRP B 2 227 ? -16.513 -30.095 26.813 1.00 23.84 ? 263 TRP B CD1 1 ATOM 1993 C CD2 . TRP B 2 227 ? -17.422 -32.019 27.522 1.00 21.81 ? 263 TRP B CD2 1 ATOM 1994 N NE1 . TRP B 2 227 ? -16.235 -30.216 28.160 1.00 20.37 ? 263 TRP B NE1 1 ATOM 1995 C CE2 . TRP B 2 227 ? -16.781 -31.388 28.619 1.00 24.01 ? 263 TRP B CE2 1 ATOM 1996 C CE3 . TRP B 2 227 ? -18.063 -33.249 27.733 1.00 22.73 ? 263 TRP B CE3 1 ATOM 1997 C CZ2 . TRP B 2 227 ? -16.767 -31.947 29.908 1.00 24.06 ? 263 TRP B CZ2 1 ATOM 1998 C CZ3 . TRP B 2 227 ? -18.051 -33.803 29.015 1.00 23.18 ? 263 TRP B CZ3 1 ATOM 1999 C CH2 . TRP B 2 227 ? -17.405 -33.150 30.084 1.00 23.48 ? 263 TRP B CH2 1 ATOM 2000 N N . GLY B 2 228 ? -20.579 -32.546 25.428 1.00 19.35 ? 264 GLY B N 1 ATOM 2001 C CA . GLY B 2 228 ? -21.518 -33.236 26.287 1.00 19.79 ? 264 GLY B CA 1 ATOM 2002 C C . GLY B 2 228 ? -21.347 -34.729 26.041 1.00 22.45 ? 264 GLY B C 1 ATOM 2003 O O . GLY B 2 228 ? -20.633 -35.137 25.134 1.00 22.61 ? 264 GLY B O 1 ATOM 2004 N N . GLU B 2 229 ? -21.977 -35.550 26.856 1.00 21.51 ? 265 GLU B N 1 ATOM 2005 C CA . GLU B 2 229 ? -21.895 -36.995 26.671 1.00 25.10 ? 265 GLU B CA 1 ATOM 2006 C C . GLU B 2 229 ? -23.322 -37.400 26.297 1.00 23.33 ? 265 GLU B C 1 ATOM 2007 O O . GLU B 2 229 ? -24.182 -37.549 27.152 1.00 25.30 ? 265 GLU B O 1 ATOM 2008 C CB . GLU B 2 229 ? -21.391 -37.644 27.969 1.00 25.17 ? 265 GLU B CB 1 ATOM 2009 C CG . GLU B 2 229 ? -19.969 -37.156 28.310 1.00 29.54 ? 265 GLU B CG 1 ATOM 2010 C CD . GLU B 2 229 ? -19.590 -37.296 29.778 1.00 34.37 ? 265 GLU B CD 1 ATOM 2011 O OE1 . GLU B 2 229 ? -20.432 -37.036 30.663 1.00 37.27 ? 265 GLU B OE1 1 ATOM 2012 O OE2 . GLU B 2 229 ? -18.429 -37.664 30.049 1.00 35.90 ? 265 GLU B OE2 1 ATOM 2013 N N . GLY B 2 230 ? -23.566 -37.533 25.000 1.00 23.11 ? 266 GLY B N 1 ATOM 2014 C CA . GLY B 2 230 ? -24.906 -37.839 24.532 1.00 27.13 ? 266 GLY B CA 1 ATOM 2015 C C . GLY B 2 230 ? -25.688 -36.531 24.425 1.00 28.33 ? 266 GLY B C 1 ATOM 2016 O O . GLY B 2 230 ? -25.090 -35.454 24.515 1.00 27.13 ? 266 GLY B O 1 ATOM 2017 N N . CYS B 2 231 ? -27.004 -36.614 24.233 1.00 26.92 ? 267 CYS B N 1 ATOM 2018 C CA . CYS B 2 231 ? -27.866 -35.429 24.129 1.00 25.97 ? 267 CYS B CA 1 ATOM 2019 C C . CYS B 2 231 ? -29.126 -35.663 24.926 1.00 25.92 ? 267 CYS B C 1 ATOM 2020 O O . CYS B 2 231 ? -29.834 -36.646 24.699 1.00 27.93 ? 267 CYS B O 1 ATOM 2021 C CB . CYS B 2 231 ? -28.282 -35.146 22.680 1.00 21.91 ? 267 CYS B CB 1 ATOM 2022 S SG . CYS B 2 231 ? -26.917 -35.060 21.502 1.00 23.33 ? 267 CYS B SG 1 ATOM 2023 N N . ASP B 2 232 ? -29.403 -34.769 25.865 1.00 23.57 ? 268 ASP B N 1 ATOM 2024 C CA . ASP B 2 232 ? -30.606 -34.854 26.682 1.00 24.12 ? 268 ASP B CA 1 ATOM 2025 C C . ASP B 2 232 ? -30.766 -36.141 27.509 1.00 26.82 ? 268 ASP B C 1 ATOM 2026 O O . ASP B 2 232 ? -31.888 -36.629 27.703 1.00 24.24 ? 268 ASP B O 1 ATOM 2027 C CB . ASP B 2 232 ? -31.855 -34.645 25.808 1.00 23.42 ? 268 ASP B CB 1 ATOM 2028 C CG . ASP B 2 232 ? -33.052 -34.143 26.610 1.00 25.70 ? 268 ASP B CG 1 ATOM 2029 O OD1 . ASP B 2 232 ? -32.858 -33.467 27.642 1.00 28.77 ? 268 ASP B OD1 1 ATOM 2030 O OD2 . ASP B 2 232 ? -34.199 -34.427 26.223 1.00 30.36 ? 268 ASP B OD2 1 ATOM 2031 N N . ARG B 2 233 ? -29.654 -36.672 28.010 1.00 25.34 ? 269 ARG B N 1 ATOM 2032 C CA . ARG B 2 233 ? -29.702 -37.867 28.853 1.00 27.77 ? 269 ARG B CA 1 ATOM 2033 C C . ARG B 2 233 ? -29.956 -37.407 30.275 1.00 29.92 ? 269 ARG B C 1 ATOM 2034 O O . ARG B 2 233 ? -29.402 -36.404 30.705 1.00 28.90 ? 269 ARG B O 1 ATOM 2035 C CB . ARG B 2 233 ? -28.370 -38.620 28.808 1.00 26.64 ? 269 ARG B CB 1 ATOM 2036 C CG . ARG B 2 233 ? -27.903 -38.963 27.426 1.00 30.99 ? 269 ARG B CG 1 ATOM 2037 C CD . ARG B 2 233 ? -27.445 -40.405 27.351 1.00 35.20 ? 269 ARG B CD 1 ATOM 2038 N NE . ARG B 2 233 ? -26.670 -40.660 26.141 1.00 38.66 ? 269 ARG B NE 1 ATOM 2039 C CZ . ARG B 2 233 ? -25.443 -41.167 26.137 1.00 39.16 ? 269 ARG B CZ 1 ATOM 2040 N NH1 . ARG B 2 233 ? -24.852 -41.475 27.283 1.00 43.34 ? 269 ARG B NH1 1 ATOM 2041 N NH2 . ARG B 2 233 ? -24.801 -41.348 24.995 1.00 38.98 ? 269 ARG B NH2 1 ATOM 2042 N N . ASP B 2 234 ? -30.786 -38.130 31.016 1.00 30.90 ? 270 ASP B N 1 ATOM 2043 C CA . ASP B 2 234 ? -31.054 -37.737 32.391 1.00 31.71 ? 270 ASP B CA 1 ATOM 2044 C C . ASP B 2 234 ? -29.771 -37.771 33.204 1.00 31.63 ? 270 ASP B C 1 ATOM 2045 O O . ASP B 2 234 ? -28.936 -38.660 33.022 1.00 30.78 ? 270 ASP B O 1 ATOM 2046 C CB . ASP B 2 234 ? -32.076 -38.672 33.033 1.00 36.84 ? 270 ASP B CB 1 ATOM 2047 C CG . ASP B 2 234 ? -33.421 -38.626 32.346 1.00 42.21 ? 270 ASP B CG 1 ATOM 2048 O OD1 . ASP B 2 234 ? -33.832 -37.530 31.914 1.00 40.97 ? 270 ASP B OD1 1 ATOM 2049 O OD2 . ASP B 2 234 ? -34.068 -39.689 32.237 1.00 46.26 ? 270 ASP B OD2 1 ATOM 2050 N N . GLY B 2 235 ? -29.612 -36.798 34.094 1.00 29.14 ? 271 GLY B N 1 ATOM 2051 C CA . GLY B 2 235 ? -28.437 -36.759 34.937 1.00 27.01 ? 271 GLY B CA 1 ATOM 2052 C C . GLY B 2 235 ? -27.141 -36.351 34.271 1.00 26.72 ? 271 GLY B C 1 ATOM 2053 O O . GLY B 2 235 ? -26.094 -36.404 34.908 1.00 28.87 ? 271 GLY B O 1 ATOM 2054 N N . LYS B 2 236 ? -27.189 -35.976 32.994 1.00 24.03 ? 272 LYS B N 1 ATOM 2055 C CA . LYS B 2 236 ? -25.996 -35.509 32.288 1.00 23.17 ? 272 LYS B CA 1 ATOM 2056 C C . LYS B 2 236 ? -26.247 -34.028 31.931 1.00 24.13 ? 272 LYS B C 1 ATOM 2057 O O . LYS B 2 236 ? -27.389 -33.577 31.941 1.00 21.08 ? 272 LYS B O 1 ATOM 2058 C CB . LYS B 2 236 ? -25.759 -36.323 31.017 1.00 26.48 ? 272 LYS B CB 1 ATOM 2059 C CG . LYS B 2 236 ? -25.210 -37.732 31.289 1.00 30.38 ? 272 LYS B CG 1 ATOM 2060 C CD . LYS B 2 236 ? -23.701 -37.708 31.504 1.00 32.55 ? 272 LYS B CD 1 ATOM 2061 C CE . LYS B 2 236 ? -23.227 -38.928 32.268 1.00 36.74 ? 272 LYS B CE 1 ATOM 2062 N NZ . LYS B 2 236 ? -21.741 -39.052 32.219 1.00 38.45 ? 272 LYS B NZ 1 ATOM 2063 N N . TYR B 2 237 ? -25.193 -33.282 31.619 1.00 22.63 ? 273 TYR B N 1 ATOM 2064 C CA . TYR B 2 237 ? -25.357 -31.856 31.325 1.00 23.11 ? 273 TYR B CA 1 ATOM 2065 C C . TYR B 2 237 ? -24.452 -31.380 30.176 1.00 20.32 ? 273 TYR B C 1 ATOM 2066 O O . TYR B 2 237 ? -23.364 -31.895 29.953 1.00 21.95 ? 273 TYR B O 1 ATOM 2067 C CB . TYR B 2 237 ? -25.040 -31.066 32.595 1.00 22.70 ? 273 TYR B CB 1 ATOM 2068 C CG . TYR B 2 237 ? -25.965 -31.470 33.687 1.00 24.16 ? 273 TYR B CG 1 ATOM 2069 C CD1 . TYR B 2 237 ? -25.578 -32.450 34.596 1.00 25.59 ? 273 TYR B CD1 1 ATOM 2070 C CD2 . TYR B 2 237 ? -27.206 -30.848 33.829 1.00 23.58 ? 273 TYR B CD2 1 ATOM 2071 C CE1 . TYR B 2 237 ? -26.420 -32.805 35.640 1.00 26.38 ? 273 TYR B CE1 1 ATOM 2072 C CE2 . TYR B 2 237 ? -28.048 -31.202 34.873 1.00 24.35 ? 273 TYR B CE2 1 ATOM 2073 C CZ . TYR B 2 237 ? -27.659 -32.174 35.776 1.00 28.28 ? 273 TYR B CZ 1 ATOM 2074 O OH . TYR B 2 237 ? -28.477 -32.509 36.837 1.00 27.37 ? 273 TYR B OH 1 ATOM 2075 N N . GLY B 2 238 ? -24.924 -30.376 29.454 1.00 18.53 ? 274 GLY B N 1 ATOM 2076 C CA . GLY B 2 238 ? -24.120 -29.829 28.386 1.00 17.03 ? 274 GLY B CA 1 ATOM 2077 C C . GLY B 2 238 ? -23.072 -28.914 28.999 1.00 14.63 ? 274 GLY B C 1 ATOM 2078 O O . GLY B 2 238 ? -23.353 -28.236 29.983 1.00 16.27 ? 274 GLY B O 1 ATOM 2079 N N . PHE B 2 239 ? -21.865 -28.913 28.438 1.00 15.30 ? 275 PHE B N 1 ATOM 2080 C CA . PHE B 2 239 ? -20.806 -28.059 28.943 1.00 17.48 ? 275 PHE B CA 1 ATOM 2081 C C . PHE B 2 239 ? -20.504 -26.940 27.955 1.00 15.10 ? 275 PHE B C 1 ATOM 2082 O O . PHE B 2 239 ? -20.523 -27.122 26.745 1.00 18.37 ? 275 PHE B O 1 ATOM 2083 C CB . PHE B 2 239 ? -19.560 -28.919 29.156 1.00 15.99 ? 275 PHE B CB 1 ATOM 2084 C CG . PHE B 2 239 ? -19.634 -29.595 30.493 1.00 19.53 ? 275 PHE B CG 1 ATOM 2085 C CD1 . PHE B 2 239 ? -20.279 -30.820 30.609 1.00 18.82 ? 275 PHE B CD1 1 ATOM 2086 C CD2 . PHE B 2 239 ? -19.083 -28.985 31.609 1.00 20.15 ? 275 PHE B CD2 1 ATOM 2087 C CE1 . PHE B 2 239 ? -20.374 -31.434 31.849 1.00 22.74 ? 275 PHE B CE1 1 ATOM 2088 C CE2 . PHE B 2 239 ? -19.182 -29.608 32.850 1.00 21.64 ? 275 PHE B CE2 1 ATOM 2089 C CZ . PHE B 2 239 ? -19.826 -30.833 32.975 1.00 21.69 ? 275 PHE B CZ 1 ATOM 2090 N N . TYR B 2 240 ? -20.216 -25.765 28.498 1.00 16.34 ? 276 TYR B N 1 ATOM 2091 C CA . TYR B 2 240 ? -20.041 -24.566 27.683 1.00 17.04 ? 276 TYR B CA 1 ATOM 2092 C C . TYR B 2 240 ? -18.743 -23.837 28.023 1.00 13.07 ? 276 TYR B C 1 ATOM 2093 O O . TYR B 2 240 ? -18.270 -23.837 29.152 1.00 17.91 ? 276 TYR B O 1 ATOM 2094 C CB . TYR B 2 240 ? -21.222 -23.634 27.952 1.00 14.33 ? 276 TYR B CB 1 ATOM 2095 C CG . TYR B 2 240 ? -22.484 -24.266 27.495 1.00 16.96 ? 276 TYR B CG 1 ATOM 2096 C CD1 . TYR B 2 240 ? -23.148 -25.166 28.323 1.00 17.15 ? 276 TYR B CD1 1 ATOM 2097 C CD2 . TYR B 2 240 ? -23.043 -23.915 26.266 1.00 15.82 ? 276 TYR B CD2 1 ATOM 2098 C CE1 . TYR B 2 240 ? -24.365 -25.703 27.932 1.00 18.38 ? 276 TYR B CE1 1 ATOM 2099 C CE2 . TYR B 2 240 ? -24.260 -24.453 25.875 1.00 14.36 ? 276 TYR B CE2 1 ATOM 2100 C CZ . TYR B 2 240 ? -24.920 -25.340 26.704 1.00 17.07 ? 276 TYR B CZ 1 ATOM 2101 O OH . TYR B 2 240 ? -26.131 -25.878 26.323 1.00 21.60 ? 276 TYR B OH 1 ATOM 2102 N N . THR B 2 241 ? -18.144 -23.225 26.985 1.00 15.50 ? 277 THR B N 1 ATOM 2103 C CA . THR B 2 241 ? -16.953 -22.416 27.224 1.00 16.67 ? 277 THR B CA 1 ATOM 2104 C C . THR B 2 241 ? -17.312 -21.094 27.906 1.00 18.03 ? 277 THR B C 1 ATOM 2105 O O . THR B 2 241 ? -18.241 -20.395 27.525 1.00 15.85 ? 277 THR B O 1 ATOM 2106 C CB . THR B 2 241 ? -16.286 -22.134 25.879 1.00 17.31 ? 277 THR B CB 1 ATOM 2107 O OG1 . THR B 2 241 ? -15.959 -23.379 25.260 1.00 21.95 ? 277 THR B OG1 1 ATOM 2108 C CG2 . THR B 2 241 ? -14.993 -21.338 26.089 1.00 19.83 ? 277 THR B CG2 1 ATOM 2109 N N . HIS B 2 242 ? -16.556 -20.784 28.974 1.00 15.11 ? 278 HIS B N 1 ATOM 2110 C CA . HIS B 2 242 ? -16.752 -19.551 29.723 1.00 16.79 ? 278 HIS B CA 1 ATOM 2111 C C . HIS B 2 242 ? -16.213 -18.342 28.957 1.00 17.36 ? 278 HIS B C 1 ATOM 2112 O O . HIS B 2 242 ? -15.044 -17.991 29.041 1.00 18.08 ? 278 HIS B O 1 ATOM 2113 C CB . HIS B 2 242 ? -16.024 -19.686 31.061 1.00 16.91 ? 278 HIS B CB 1 ATOM 2114 C CG . HIS B 2 242 ? -16.654 -18.763 32.073 1.00 19.25 ? 278 HIS B CG 1 ATOM 2115 N ND1 . HIS B 2 242 ? -16.758 -17.423 31.895 1.00 21.72 ? 278 HIS B ND1 1 ATOM 2116 C CD2 . HIS B 2 242 ? -17.204 -19.090 33.317 1.00 19.28 ? 278 HIS B CD2 1 ATOM 2117 C CE1 . HIS B 2 242 ? -17.356 -16.954 33.007 1.00 18.66 ? 278 HIS B CE1 1 ATOM 2118 N NE2 . HIS B 2 242 ? -17.634 -17.930 33.876 1.00 20.56 ? 278 HIS B NE2 1 ATOM 2119 N N . VAL B 2 243 ? -17.066 -17.695 28.131 1.00 16.05 ? 279 VAL B N 1 ATOM 2120 C CA . VAL B 2 243 ? -16.588 -16.575 27.320 1.00 17.16 ? 279 VAL B CA 1 ATOM 2121 C C . VAL B 2 243 ? -15.981 -15.463 28.172 1.00 17.39 ? 279 VAL B C 1 ATOM 2122 O O . VAL B 2 243 ? -14.947 -14.891 27.850 1.00 18.57 ? 279 VAL B O 1 ATOM 2123 C CB . VAL B 2 243 ? -17.768 -16.015 26.528 1.00 15.91 ? 279 VAL B CB 1 ATOM 2124 C CG1 . VAL B 2 243 ? -17.346 -14.721 25.831 1.00 18.18 ? 279 VAL B CG1 1 ATOM 2125 C CG2 . VAL B 2 243 ? -18.219 -17.018 25.485 1.00 14.19 ? 279 VAL B CG2 1 ATOM 2126 N N . PHE B 2 244 ? -16.530 -15.067 29.306 1.00 17.82 ? 280 PHE B N 1 ATOM 2127 C CA . PHE B 2 244 ? -15.864 -13.943 29.961 1.00 19.75 ? 280 PHE B CA 1 ATOM 2128 C C . PHE B 2 244 ? -14.472 -14.321 30.484 1.00 23.84 ? 280 PHE B C 1 ATOM 2129 O O . PHE B 2 244 ? -13.517 -13.562 30.388 1.00 21.75 ? 280 PHE B O 1 ATOM 2130 C CB . PHE B 2 244 ? -16.745 -13.474 31.119 1.00 21.80 ? 280 PHE B CB 1 ATOM 2131 C CG . PHE B 2 244 ? -16.016 -12.438 31.923 1.00 25.44 ? 280 PHE B CG 1 ATOM 2132 C CD1 . PHE B 2 244 ? -15.771 -11.188 31.369 1.00 25.15 ? 280 PHE B CD1 1 ATOM 2133 C CD2 . PHE B 2 244 ? -15.583 -12.734 33.205 1.00 24.36 ? 280 PHE B CD2 1 ATOM 2134 C CE1 . PHE B 2 244 ? -15.088 -10.230 32.106 1.00 25.75 ? 280 PHE B CE1 1 ATOM 2135 C CE2 . PHE B 2 244 ? -14.899 -11.768 33.938 1.00 28.31 ? 280 PHE B CE2 1 ATOM 2136 C CZ . PHE B 2 244 ? -14.650 -10.514 33.393 1.00 26.04 ? 280 PHE B CZ 1 ATOM 2137 N N . ARG B 2 245 ? -14.300 -15.517 31.030 1.00 21.74 ? 281 ARG B N 1 ATOM 2138 C CA . ARG B 2 245 ? -12.997 -15.934 31.507 1.00 24.77 ? 281 ARG B CA 1 ATOM 2139 C C . ARG B 2 245 ? -11.961 -15.890 30.390 1.00 24.39 ? 281 ARG B C 1 ATOM 2140 O O . ARG B 2 245 ? -10.769 -15.843 30.647 1.00 24.48 ? 281 ARG B O 1 ATOM 2141 C CB . ARG B 2 245 ? -13.098 -17.345 32.081 1.00 27.23 ? 281 ARG B CB 1 ATOM 2142 C CG . ARG B 2 245 ? -12.250 -17.569 33.287 1.00 36.48 ? 281 ARG B CG 1 ATOM 2143 C CD . ARG B 2 245 ? -13.071 -17.806 34.529 1.00 38.90 ? 281 ARG B CD 1 ATOM 2144 N NE . ARG B 2 245 ? -12.280 -18.364 35.632 1.00 47.16 ? 281 ARG B NE 1 ATOM 2145 C CZ . ARG B 2 245 ? -10.951 -18.299 35.755 1.00 49.70 ? 281 ARG B CZ 1 ATOM 2146 N NH1 . ARG B 2 245 ? -10.199 -17.697 34.842 1.00 53.35 ? 281 ARG B NH1 1 ATOM 2147 N NH2 . ARG B 2 245 ? -10.363 -18.838 36.813 1.00 53.45 ? 281 ARG B NH2 1 ATOM 2148 N N . LEU B 2 246 ? -12.404 -15.895 29.141 1.00 23.85 ? 282 LEU B N 1 ATOM 2149 C CA . LEU B 2 246 ? -11.457 -15.859 28.037 1.00 22.98 ? 282 LEU B CA 1 ATOM 2150 C C . LEU B 2 246 ? -11.482 -14.557 27.232 1.00 23.61 ? 282 LEU B C 1 ATOM 2151 O O . LEU B 2 246 ? -10.859 -14.470 26.183 1.00 24.24 ? 282 LEU B O 1 ATOM 2152 C CB . LEU B 2 246 ? -11.707 -17.046 27.096 1.00 24.79 ? 282 LEU B CB 1 ATOM 2153 C CG . LEU B 2 246 ? -11.456 -18.419 27.739 1.00 26.66 ? 282 LEU B CG 1 ATOM 2154 C CD1 . LEU B 2 246 ? -12.094 -19.514 26.897 1.00 26.13 ? 282 LEU B CD1 1 ATOM 2155 C CD2 . LEU B 2 246 ? -9.961 -18.655 27.880 1.00 28.07 ? 282 LEU B CD2 1 ATOM 2156 N N . LYS B 2 247 ? -12.188 -13.545 27.724 1.00 25.81 ? 283 LYS B N 1 ATOM 2157 C CA . LYS B 2 247 ? -12.295 -12.270 27.004 1.00 29.03 ? 283 LYS B CA 1 ATOM 2158 C C . LYS B 2 247 ? -10.957 -11.593 26.693 1.00 30.36 ? 283 LYS B C 1 ATOM 2159 O O . LYS B 2 247 ? -10.788 -10.998 25.624 1.00 28.71 ? 283 LYS B O 1 ATOM 2160 C CB . LYS B 2 247 ? -13.187 -11.304 27.785 1.00 31.17 ? 283 LYS B CB 1 ATOM 2161 C CG . LYS B 2 247 ? -13.861 -10.256 26.904 1.00 32.81 ? 283 LYS B CG 1 ATOM 2162 C CD . LYS B 2 247 ? -14.621 -9.252 27.748 1.00 35.03 ? 283 LYS B CD 1 ATOM 2163 C CE . LYS B 2 247 ? -14.878 -7.958 26.986 1.00 34.44 ? 283 LYS B CE 1 ATOM 2164 N NZ . LYS B 2 247 ? -16.197 -7.394 27.375 1.00 35.42 ? 283 LYS B NZ 1 ATOM 2165 N N . LYS B 2 248 ? -10.010 -11.689 27.624 1.00 31.31 ? 284 LYS B N 1 ATOM 2166 C CA . LYS B 2 248 ? -8.696 -11.088 27.435 1.00 34.03 ? 284 LYS B CA 1 ATOM 2167 C C . LYS B 2 248 ? -8.059 -11.586 26.149 1.00 32.60 ? 284 LYS B C 1 ATOM 2168 O O . LYS B 2 248 ? -7.539 -10.793 25.367 1.00 34.00 ? 284 LYS B O 1 ATOM 2169 C CB . LYS B 2 248 ? -7.776 -11.419 28.611 1.00 38.20 ? 284 LYS B CB 1 ATOM 2170 C CG . LYS B 2 248 ? -8.100 -10.669 29.890 1.00 44.42 ? 284 LYS B CG 1 ATOM 2171 C CD . LYS B 2 248 ? -8.465 -11.642 31.020 1.00 50.42 ? 284 LYS B CD 1 ATOM 2172 C CE . LYS B 2 248 ? -7.269 -11.957 31.921 1.00 52.28 ? 284 LYS B CE 1 ATOM 2173 N NZ . LYS B 2 248 ? -6.911 -10.807 32.813 1.00 54.00 ? 284 LYS B NZ 1 ATOM 2174 N N . TRP B 2 249 ? -8.087 -12.900 25.928 1.00 29.42 ? 285 TRP B N 1 ATOM 2175 C CA . TRP B 2 249 ? -7.508 -13.472 24.717 1.00 25.35 ? 285 TRP B CA 1 ATOM 2176 C C . TRP B 2 249 ? -8.249 -12.953 23.487 1.00 25.16 ? 285 TRP B C 1 ATOM 2177 O O . TRP B 2 249 ? -7.642 -12.686 22.450 1.00 24.20 ? 285 TRP B O 1 ATOM 2178 C CB . TRP B 2 249 ? -7.602 -15.006 24.740 1.00 24.54 ? 285 TRP B CB 1 ATOM 2179 C CG . TRP B 2 249 ? -7.187 -15.638 23.434 1.00 22.64 ? 285 TRP B CG 1 ATOM 2180 C CD1 . TRP B 2 249 ? -5.906 -15.812 22.981 1.00 23.55 ? 285 TRP B CD1 1 ATOM 2181 C CD2 . TRP B 2 249 ? -8.050 -16.120 22.386 1.00 22.36 ? 285 TRP B CD2 1 ATOM 2182 N NE1 . TRP B 2 249 ? -5.921 -16.368 21.721 1.00 24.45 ? 285 TRP B NE1 1 ATOM 2183 C CE2 . TRP B 2 249 ? -7.218 -16.569 21.332 1.00 21.93 ? 285 TRP B CE2 1 ATOM 2184 C CE3 . TRP B 2 249 ? -9.446 -16.215 22.235 1.00 21.49 ? 285 TRP B CE3 1 ATOM 2185 C CZ2 . TRP B 2 249 ? -7.733 -17.107 20.141 1.00 23.53 ? 285 TRP B CZ2 1 ATOM 2186 C CZ3 . TRP B 2 249 ? -9.959 -16.752 21.049 1.00 17.59 ? 285 TRP B CZ3 1 ATOM 2187 C CH2 . TRP B 2 249 ? -9.101 -17.189 20.020 1.00 22.94 ? 285 TRP B CH2 1 ATOM 2188 N N . ILE B 2 250 ? -9.571 -12.840 23.600 1.00 24.31 ? 286 ILE B N 1 ATOM 2189 C CA . ILE B 2 250 ? -10.386 -12.367 22.481 1.00 25.71 ? 286 ILE B CA 1 ATOM 2190 C C . ILE B 2 250 ? -9.993 -10.941 22.098 1.00 26.52 ? 286 ILE B C 1 ATOM 2191 O O . ILE B 2 250 ? -9.753 -10.655 20.938 1.00 26.69 ? 286 ILE B O 1 ATOM 2192 C CB . ILE B 2 250 ? -11.898 -12.419 22.830 1.00 24.91 ? 286 ILE B CB 1 ATOM 2193 C CG1 . ILE B 2 250 ? -12.383 -13.875 22.821 1.00 22.97 ? 286 ILE B CG1 1 ATOM 2194 C CG2 . ILE B 2 250 ? -12.712 -11.609 21.811 1.00 24.77 ? 286 ILE B CG2 1 ATOM 2195 C CD1 . ILE B 2 250 ? -13.630 -14.084 23.620 1.00 24.73 ? 286 ILE B CD1 1 ATOM 2196 N N . GLN B 2 251 ? -9.923 -10.054 23.082 1.00 31.23 ? 287 GLN B N 1 ATOM 2197 C CA . GLN B 2 251 ? -9.540 -8.675 22.819 1.00 34.50 ? 287 GLN B CA 1 ATOM 2198 C C . GLN B 2 251 ? -8.121 -8.640 22.257 1.00 34.98 ? 287 GLN B C 1 ATOM 2199 O O . GLN B 2 251 ? -7.822 -7.865 21.355 1.00 34.98 ? 287 GLN B O 1 ATOM 2200 C CB . GLN B 2 251 ? -9.622 -7.856 24.102 1.00 37.67 ? 287 GLN B CB 1 ATOM 2201 C CG . GLN B 2 251 ? -10.959 -7.161 24.277 1.00 43.83 ? 287 GLN B CG 1 ATOM 2202 C CD . GLN B 2 251 ? -11.317 -6.931 25.733 1.00 48.09 ? 287 GLN B CD 1 ATOM 2203 O OE1 . GLN B 2 251 ? -10.632 -7.407 26.639 1.00 51.76 ? 287 GLN B OE1 1 ATOM 2204 N NE2 . GLN B 2 251 ? -12.397 -6.195 25.965 1.00 50.87 ? 287 GLN B NE2 1 ATOM 2205 N N . LYS B 2 252 ? -7.251 -9.493 22.790 1.00 35.11 ? 288 LYS B N 1 ATOM 2206 C CA . LYS B 2 252 ? -5.875 -9.567 22.320 1.00 35.03 ? 288 LYS B CA 1 ATOM 2207 C C . LYS B 2 252 ? -5.848 -9.796 20.811 1.00 35.99 ? 288 LYS B C 1 ATOM 2208 O O . LYS B 2 252 ? -5.306 -8.975 20.061 1.00 36.77 ? 288 LYS B O 1 ATOM 2209 C CB . LYS B 2 252 ? -5.132 -10.705 23.026 1.00 37.55 ? 288 LYS B CB 1 ATOM 2210 C CG . LYS B 2 252 ? -3.805 -10.298 23.650 1.00 40.69 ? 288 LYS B CG 1 ATOM 2211 C CD . LYS B 2 252 ? -2.647 -10.543 22.700 0.01 39.65 ? 288 LYS B CD 1 ATOM 2212 C CE . LYS B 2 252 ? -2.191 -11.990 22.763 0.01 39.96 ? 288 LYS B CE 1 ATOM 2213 N NZ . LYS B 2 252 ? -1.267 -12.229 23.906 0.01 39.76 ? 288 LYS B NZ 1 ATOM 2214 N N . VAL B 2 253 ? -6.437 -10.906 20.364 1.00 31.90 ? 289 VAL B N 1 ATOM 2215 C CA . VAL B 2 253 ? -6.466 -11.237 18.941 1.00 31.37 ? 289 VAL B CA 1 ATOM 2216 C C . VAL B 2 253 ? -7.071 -10.139 18.067 1.00 32.25 ? 289 VAL B C 1 ATOM 2217 O O . VAL B 2 253 ? -6.537 -9.800 17.011 1.00 31.52 ? 289 VAL B O 1 ATOM 2218 C CB . VAL B 2 253 ? -7.265 -12.536 18.671 1.00 30.16 ? 289 VAL B CB 1 ATOM 2219 C CG1 . VAL B 2 253 ? -7.534 -12.674 17.181 1.00 27.00 ? 289 VAL B CG1 1 ATOM 2220 C CG2 . VAL B 2 253 ? -6.494 -13.750 19.181 1.00 32.05 ? 289 VAL B CG2 1 ATOM 2221 N N . ILE B 2 254 ? -8.201 -9.599 18.491 1.00 34.30 ? 290 ILE B N 1 ATOM 2222 C CA . ILE B 2 254 ? -8.863 -8.568 17.717 1.00 37.89 ? 290 ILE B CA 1 ATOM 2223 C C . ILE B 2 254 ? -8.021 -7.284 17.657 1.00 41.33 ? 290 ILE B C 1 ATOM 2224 O O . ILE B 2 254 ? -7.820 -6.716 16.583 1.00 40.02 ? 290 ILE B O 1 ATOM 2225 C CB . ILE B 2 254 ? -10.278 -8.285 18.306 1.00 38.43 ? 290 ILE B CB 1 ATOM 2226 C CG1 . ILE B 2 254 ? -11.256 -9.361 17.810 1.00 35.82 ? 290 ILE B CG1 1 ATOM 2227 C CG2 . ILE B 2 254 ? -10.764 -6.881 17.914 1.00 36.75 ? 290 ILE B CG2 1 ATOM 2228 C CD1 . ILE B 2 254 ? -12.513 -9.487 18.641 1.00 34.79 ? 290 ILE B CD1 1 ATOM 2229 N N . ASP B 2 255 ? -7.515 -6.842 18.805 1.00 44.63 ? 291 ASP B N 1 ATOM 2230 C CA . ASP B 2 255 ? -6.706 -5.627 18.865 1.00 49.46 ? 291 ASP B CA 1 ATOM 2231 C C . ASP B 2 255 ? -5.408 -5.730 18.063 1.00 52.56 ? 291 ASP B C 1 ATOM 2232 O O . ASP B 2 255 ? -5.022 -4.781 17.379 1.00 53.97 ? 291 ASP B O 1 ATOM 2233 C CB . ASP B 2 255 ? -6.368 -5.284 20.318 1.00 50.05 ? 291 ASP B CB 1 ATOM 2234 C CG . ASP B 2 255 ? -7.561 -4.730 21.080 1.00 52.53 ? 291 ASP B CG 1 ATOM 2235 O OD1 . ASP B 2 255 ? -8.635 -4.547 20.460 1.00 52.97 ? 291 ASP B OD1 1 ATOM 2236 O OD2 . ASP B 2 255 ? -7.420 -4.481 22.302 1.00 51.86 ? 291 ASP B OD2 1 ATOM 2237 N N . GLN B 2 256 ? -4.739 -6.878 18.144 1.00 54.66 ? 292 GLN B N 1 ATOM 2238 C CA . GLN B 2 256 ? -3.474 -7.080 17.432 1.00 57.58 ? 292 GLN B CA 1 ATOM 2239 C C . GLN B 2 256 ? -3.639 -7.420 15.951 1.00 58.55 ? 292 GLN B C 1 ATOM 2240 O O . GLN B 2 256 ? -2.864 -6.955 15.114 1.00 59.19 ? 292 GLN B O 1 ATOM 2241 C CB . GLN B 2 256 ? -2.646 -8.178 18.117 1.00 58.65 ? 292 GLN B CB 1 ATOM 2242 C CG . GLN B 2 256 ? -2.318 -7.894 19.585 1.00 63.35 ? 292 GLN B CG 1 ATOM 2243 C CD . GLN B 2 256 ? -0.993 -7.155 19.771 1.00 66.94 ? 292 GLN B CD 1 ATOM 2244 O OE1 . GLN B 2 256 ? -0.436 -6.596 18.818 1.00 68.06 ? 292 GLN B OE1 1 ATOM 2245 N NE2 . GLN B 2 256 ? -0.485 -7.149 21.005 1.00 67.06 ? 292 GLN B NE2 1 ATOM 2246 N N . PHE B 2 257 ? -4.641 -8.228 15.623 1.00 59.04 ? 293 PHE B N 1 ATOM 2247 C CA . PHE B 2 257 ? -4.878 -8.611 14.232 1.00 58.95 ? 293 PHE B CA 1 ATOM 2248 C C . PHE B 2 257 ? -6.044 -7.841 13.633 1.00 59.01 ? 293 PHE B C 1 ATOM 2249 O O . PHE B 2 257 ? -6.612 -6.986 14.341 1.00 60.87 ? 293 PHE B O 1 ATOM 2250 C CB . PHE B 2 257 ? -5.153 -10.115 14.129 1.00 59.66 ? 293 PHE B CB 1 ATOM 2251 C CG . PHE B 2 257 ? -4.078 -10.969 14.736 1.00 60.56 ? 293 PHE B CG 1 ATOM 2252 C CD1 . PHE B 2 257 ? -4.310 -11.662 15.921 1.00 61.10 ? 293 PHE B CD1 1 ATOM 2253 C CD2 . PHE B 2 257 ? -2.828 -11.072 14.133 1.00 60.69 ? 293 PHE B CD2 1 ATOM 2254 C CE1 . PHE B 2 257 ? -3.309 -12.446 16.502 1.00 60.64 ? 293 PHE B CE1 1 ATOM 2255 C CE2 . PHE B 2 257 ? -1.824 -11.851 14.705 1.00 61.15 ? 293 PHE B CE2 1 ATOM 2256 C CZ . PHE B 2 257 ? -2.067 -12.540 15.893 1.00 60.30 ? 293 PHE B CZ 1 ATOM 2257 N N . GLY C 3 1 ? -32.788 -33.495 4.859 1.00 88.60 ? 300 GLY H N 1 ATOM 2258 C CA . GLY C 3 1 ? -32.207 -33.910 3.552 1.00 88.55 ? 300 GLY H CA 1 ATOM 2259 C C . GLY C 3 1 ? -30.923 -33.173 3.230 1.00 88.26 ? 300 GLY H C 1 ATOM 2260 O O . GLY C 3 1 ? -30.295 -32.587 4.117 1.00 88.07 ? 300 GLY H O 1 ATOM 2261 N N . ASP C 3 2 ? -30.525 -33.204 1.959 1.00 88.09 ? 301 ASP H N 1 ATOM 2262 C CA . ASP C 3 2 ? -29.307 -32.531 1.524 1.00 86.98 ? 301 ASP H CA 1 ATOM 2263 C C . ASP C 3 2 ? -29.555 -31.038 1.327 1.00 85.88 ? 301 ASP H C 1 ATOM 2264 O O . ASP C 3 2 ? -30.698 -30.590 1.225 1.00 85.03 ? 301 ASP H O 1 ATOM 2265 C CB . ASP C 3 2 ? -28.770 -33.163 0.230 1.00 88.04 ? 301 ASP H CB 1 ATOM 2266 C CG . ASP C 3 2 ? -29.682 -32.930 -0.972 1.00 89.36 ? 301 ASP H CG 1 ATOM 2267 O OD1 . ASP C 3 2 ? -30.776 -32.349 -0.809 1.00 90.29 ? 301 ASP H OD1 1 ATOM 2268 O OD2 . ASP C 3 2 ? -29.295 -33.333 -2.089 1.00 89.75 ? 301 ASP H OD2 1 ATOM 2269 N N . PHE C 3 3 ? -28.474 -30.272 1.272 1.00 84.87 ? 302 PHE H N 1 ATOM 2270 C CA . PHE C 3 3 ? -28.570 -28.832 1.112 1.00 83.71 ? 302 PHE H CA 1 ATOM 2271 C C . PHE C 3 3 ? -28.804 -28.405 -0.331 1.00 83.62 ? 302 PHE H C 1 ATOM 2272 O O . PHE C 3 3 ? -28.619 -29.186 -1.266 1.00 83.43 ? 302 PHE H O 1 ATOM 2273 C CB . PHE C 3 3 ? -27.308 -28.171 1.664 1.00 82.95 ? 302 PHE H CB 1 ATOM 2274 C CG . PHE C 3 3 ? -27.160 -28.314 3.154 1.00 82.38 ? 302 PHE H CG 1 ATOM 2275 C CD1 . PHE C 3 3 ? -27.451 -27.248 4.000 1.00 81.90 ? 302 PHE H CD1 1 ATOM 2276 C CD2 . PHE C 3 3 ? -26.747 -29.518 3.714 1.00 82.10 ? 302 PHE H CD2 1 ATOM 2277 C CE1 . PHE C 3 3 ? -27.332 -27.380 5.382 1.00 81.09 ? 302 PHE H CE1 1 ATOM 2278 C CE2 . PHE C 3 3 ? -26.626 -29.660 5.097 1.00 81.82 ? 302 PHE H CE2 1 ATOM 2279 C CZ . PHE C 3 3 ? -26.920 -28.589 5.931 1.00 80.88 ? 302 PHE H CZ 1 ATOM 2280 N N . GLU C 3 4 ? -29.214 -27.153 -0.499 1.00 83.29 ? 303 GLU H N 1 ATOM 2281 C CA . GLU C 3 4 ? -29.483 -26.613 -1.821 1.00 83.09 ? 303 GLU H CA 1 ATOM 2282 C C . GLU C 3 4 ? -28.280 -25.875 -2.414 1.00 83.92 ? 303 GLU H C 1 ATOM 2283 O O . GLU C 3 4 ? -27.417 -25.364 -1.691 1.00 83.76 ? 303 GLU H O 1 ATOM 2284 C CB . GLU C 3 4 ? -30.696 -25.684 -1.760 1.00 81.96 ? 303 GLU H CB 1 ATOM 2285 C CG . GLU C 3 4 ? -30.735 -24.629 -2.844 1.00 80.76 ? 303 GLU H CG 1 ATOM 2286 C CD . GLU C 3 4 ? -31.988 -23.793 -2.785 1.00 80.63 ? 303 GLU H CD 1 ATOM 2287 O OE1 . GLU C 3 4 ? -32.767 -23.956 -1.824 1.00 80.21 ? 303 GLU H OE1 1 ATOM 2288 O OE2 . GLU C 3 4 ? -32.197 -22.974 -3.700 1.00 80.92 ? 303 GLU H OE2 1 ATOM 2289 N N . GLU C 3 5 ? -28.243 -25.829 -3.742 1.00 84.62 ? 304 GLU H N 1 ATOM 2290 C CA . GLU C 3 5 ? -27.172 -25.183 -4.492 1.00 84.77 ? 304 GLU H CA 1 ATOM 2291 C C . GLU C 3 5 ? -26.981 -23.709 -4.157 1.00 84.30 ? 304 GLU H C 1 ATOM 2292 O O . GLU C 3 5 ? -27.902 -22.901 -4.296 1.00 83.72 ? 304 GLU H O 1 ATOM 2293 C CB . GLU C 3 5 ? -27.436 -25.326 -5.996 1.00 85.68 ? 304 GLU H CB 1 ATOM 2294 C CG . GLU C 3 5 ? -28.863 -25.764 -6.338 1.00 87.45 ? 304 GLU H CG 1 ATOM 2295 C CD . GLU C 3 5 ? -29.452 -25.008 -7.521 1.00 88.20 ? 304 GLU H CD 1 ATOM 2296 O OE1 . GLU C 3 5 ? -28.727 -24.183 -8.123 1.00 89.12 ? 304 GLU H OE1 1 ATOM 2297 O OE2 . GLU C 3 5 ? -30.640 -25.243 -7.846 1.00 86.70 ? 304 GLU H OE2 1 ATOM 2298 N N . ILE C 3 6 ? -25.778 -23.368 -3.711 1.00 83.90 ? 305 ILE H N 1 ATOM 2299 C CA . ILE C 3 6 ? -25.448 -21.989 -3.386 1.00 83.54 ? 305 ILE H CA 1 ATOM 2300 C C . ILE C 3 6 ? -24.639 -21.447 -4.568 1.00 84.57 ? 305 ILE H C 1 ATOM 2301 O O . ILE C 3 6 ? -23.885 -22.191 -5.200 1.00 84.45 ? 305 ILE H O 1 ATOM 2302 C CB . ILE C 3 6 ? -24.621 -21.899 -2.076 1.00 82.29 ? 305 ILE H CB 1 ATOM 2303 C CG1 . ILE C 3 6 ? -23.234 -22.510 -2.272 1.00 81.66 ? 305 ILE H CG1 1 ATOM 2304 C CG2 . ILE C 3 6 ? -25.348 -22.629 -0.953 1.00 81.19 ? 305 ILE H CG2 1 ATOM 2305 C CD1 . ILE C 3 6 ? -22.279 -22.211 -1.142 1.00 80.33 ? 305 ILE H CD1 1 ATOM 2306 N N . PRO C 3 7 ? -24.806 -20.155 -4.903 1.00 85.73 ? 306 PRO H N 1 ATOM 2307 C CA . PRO C 3 7 ? -24.074 -19.548 -6.023 1.00 86.13 ? 306 PRO H CA 1 ATOM 2308 C C . PRO C 3 7 ? -22.596 -19.944 -6.120 1.00 86.75 ? 306 PRO H C 1 ATOM 2309 O O . PRO C 3 7 ? -21.904 -20.090 -5.109 1.00 86.51 ? 306 PRO H O 1 ATOM 2310 C CB . PRO C 3 7 ? -24.266 -18.051 -5.807 1.00 85.73 ? 306 PRO H CB 1 ATOM 2311 C CG . PRO C 3 7 ? -25.596 -17.956 -5.128 1.00 85.31 ? 306 PRO H CG 1 ATOM 2312 C CD . PRO C 3 7 ? -25.707 -19.184 -4.249 1.00 85.36 ? 306 PRO H CD 1 ATOM 2313 N N . GLU C 3 8 ? -22.129 -20.116 -7.353 1.00 87.58 ? 307 GLU H N 1 ATOM 2314 C CA . GLU C 3 8 ? -20.749 -20.507 -7.625 1.00 88.60 ? 307 GLU H CA 1 ATOM 2315 C C . GLU C 3 8 ? -19.728 -19.489 -7.125 1.00 88.52 ? 307 GLU H C 1 ATOM 2316 O O . GLU C 3 8 ? -18.610 -19.850 -6.756 1.00 88.18 ? 307 GLU H O 1 ATOM 2317 C CB . GLU C 3 8 ? -20.562 -20.724 -9.130 1.00 89.41 ? 307 GLU H CB 1 ATOM 2318 C CG . GLU C 3 8 ? -19.251 -21.396 -9.516 1.00 91.52 ? 307 GLU H CG 1 ATOM 2319 C CD . GLU C 3 8 ? -19.016 -22.706 -8.776 1.00 93.34 ? 307 GLU H CD 1 ATOM 2320 O OE1 . GLU C 3 8 ? -17.840 -23.017 -8.480 1.00 94.13 ? 307 GLU H OE1 1 ATOM 2321 O OE2 . GLU C 3 8 ? -20.004 -23.423 -8.490 1.00 93.80 ? 307 GLU H OE2 1 ATOM 2322 N N . GLU C 3 9 ? -20.113 -18.217 -7.115 1.00 88.90 ? 308 GLU H N 1 ATOM 2323 C CA . GLU C 3 9 ? -19.227 -17.147 -6.663 1.00 89.81 ? 308 GLU H CA 1 ATOM 2324 C C . GLU C 3 9 ? -18.668 -17.408 -5.268 1.00 90.34 ? 308 GLU H C 1 ATOM 2325 O O . GLU C 3 9 ? -17.595 -16.910 -4.920 1.00 90.52 ? 308 GLU H O 1 ATOM 2326 C CB . GLU C 3 9 ? -19.970 -15.809 -6.658 1.00 90.08 ? 308 GLU H CB 1 ATOM 2327 C CG . GLU C 3 9 ? -21.473 -15.916 -6.881 1.00 91.11 ? 308 GLU H CG 1 ATOM 2328 C CD . GLU C 3 9 ? -21.813 -16.358 -8.292 1.00 92.44 ? 308 GLU H CD 1 ATOM 2329 O OE1 . GLU C 3 9 ? -20.928 -16.278 -9.174 1.00 92.55 ? 308 GLU H OE1 1 ATOM 2330 O OE2 . GLU C 3 9 ? -22.964 -16.789 -8.518 1.00 93.15 ? 308 GLU H OE2 1 HETATM 2331 N N . TYS C 3 10 ? -19.388 -18.196 -4.475 1.00 90.85 ? 309 TYS H N 1 HETATM 2332 C CA . TYS C 3 10 ? -18.973 -18.505 -3.109 1.00 90.96 ? 309 TYS H CA 1 HETATM 2333 C CB . TYS C 3 10 ? -20.202 -18.578 -2.198 1.00 89.51 ? 309 TYS H CB 1 HETATM 2334 C CG . TYS C 3 10 ? -21.027 -17.324 -2.333 1.00 88.11 ? 309 TYS H CG 1 HETATM 2335 C CD1 . TYS C 3 10 ? -22.459 -17.435 -2.810 1.00 87.50 ? 309 TYS H CD1 1 HETATM 2336 C CD2 . TYS C 3 10 ? -20.449 -15.952 -2.019 1.00 87.43 ? 309 TYS H CD2 1 HETATM 2337 C CE1 . TYS C 3 10 ? -23.327 -16.189 -2.903 1.00 87.39 ? 309 TYS H CE1 1 HETATM 2338 C CE2 . TYS C 3 10 ? -21.312 -14.710 -2.124 1.00 86.81 ? 309 TYS H CE2 1 HETATM 2339 C CZ . TYS C 3 10 ? -22.780 -14.845 -2.448 1.00 87.25 ? 309 TYS H CZ 1 HETATM 2340 O OH . TYS C 3 10 ? -23.625 -13.796 -2.129 1.00 87.20 ? 309 TYS H OH 1 HETATM 2341 S S . TYS C 3 10 ? -24.421 -13.789 -0.812 1.00 87.16 ? 309 TYS H S 1 HETATM 2342 O O1 . TYS C 3 10 ? -23.486 -13.438 0.355 1.00 87.23 ? 309 TYS H O1 1 HETATM 2343 O O2 . TYS C 3 10 ? -25.492 -12.673 -0.943 1.00 88.52 ? 309 TYS H O2 1 HETATM 2344 O O3 . TYS C 3 10 ? -25.141 -15.136 -0.565 1.00 86.25 ? 309 TYS H O3 1 HETATM 2345 C C . TYS C 3 10 ? -18.180 -19.801 -2.963 1.00 91.77 ? 309 TYS H C 1 HETATM 2346 O O . TYS C 3 10 ? -17.821 -20.194 -1.854 1.00 92.22 ? 309 TYS H O 1 ATOM 2347 N N . LEU C 3 11 ? -17.892 -20.456 -4.079 1.00 92.42 ? 310 LEU H N 1 ATOM 2348 C CA . LEU C 3 11 ? -17.149 -21.708 -4.035 1.00 93.02 ? 310 LEU H CA 1 ATOM 2349 C C . LEU C 3 11 ? -15.766 -21.598 -4.677 1.00 93.69 ? 310 LEU H C 1 ATOM 2350 O O . LEU C 3 11 ? -15.082 -22.598 -4.876 1.00 93.95 ? 310 LEU H O 1 ATOM 2351 C CB . LEU C 3 11 ? -17.964 -22.811 -4.714 1.00 92.57 ? 310 LEU H CB 1 ATOM 2352 C CG . LEU C 3 11 ? -19.081 -23.405 -3.848 1.00 92.05 ? 310 LEU H CG 1 ATOM 2353 C CD1 . LEU C 3 11 ? -20.301 -23.722 -4.706 1.00 91.88 ? 310 LEU H CD1 1 ATOM 2354 C CD2 . LEU C 3 11 ? -18.568 -24.656 -3.155 1.00 91.80 ? 310 LEU H CD2 1 ATOM 2355 N N . GLN C 3 12 ? -15.352 -20.372 -4.986 1.00 94.20 ? 311 GLN H N 1 ATOM 2356 C CA . GLN C 3 12 ? -14.047 -20.136 -5.599 1.00 94.49 ? 311 GLN H CA 1 ATOM 2357 C C . GLN C 3 12 ? -13.248 -19.123 -4.774 1.00 94.86 ? 311 GLN H C 1 ATOM 2358 O O . GLN C 3 12 ? -13.820 -18.590 -3.800 1.00 95.33 ? 311 GLN H O 1 ATOM 2359 C CB . GLN C 3 12 ? -14.231 -19.650 -7.046 1.00 94.14 ? 311 GLN H CB 1 ATOM 2360 C CG . GLN C 3 12 ? -13.539 -18.339 -7.399 1.00 94.25 ? 311 GLN H CG 1 ATOM 2361 C CD . GLN C 3 12 ? -14.467 -17.141 -7.299 1.00 94.53 ? 311 GLN H CD 1 ATOM 2362 O OE1 . GLN C 3 12 ? -15.038 -16.699 -8.298 1.00 94.83 ? 311 GLN H OE1 1 ATOM 2363 N NE2 . GLN C 3 12 ? -14.622 -16.610 -6.090 1.00 93.91 ? 311 GLN H NE2 1 ATOM 2364 O OXT . GLN C 3 12 ? -12.063 -18.884 -5.098 1.00 95.57 ? 311 GLN H OXT 1 HETATM 2365 C C1 . NAG D 4 . ? -3.432 -29.010 10.938 1.00 55.47 ? 500 NAG B C1 1 HETATM 2366 C C2 . NAG D 4 . ? -2.095 -29.737 11.216 1.00 56.11 ? 500 NAG B C2 1 HETATM 2367 C C3 . NAG D 4 . ? -0.864 -28.802 11.335 1.00 57.73 ? 500 NAG B C3 1 HETATM 2368 C C4 . NAG D 4 . ? -0.896 -27.949 10.043 1.00 58.66 ? 500 NAG B C4 1 HETATM 2369 C C5 . NAG D 4 . ? -2.275 -27.253 9.881 1.00 57.88 ? 500 NAG B C5 1 HETATM 2370 C C6 . NAG D 4 . ? -2.265 -26.310 8.671 1.00 57.96 ? 500 NAG B C6 1 HETATM 2371 C C7 . NAG D 4 . ? -2.371 -30.147 13.599 1.00 54.69 ? 500 NAG B C7 1 HETATM 2372 C C8 . NAG D 4 . ? -2.564 -31.233 14.634 1.00 52.57 ? 500 NAG B C8 1 HETATM 2373 N N2 . NAG D 4 . ? -2.212 -30.621 12.369 1.00 54.96 ? 500 NAG B N2 1 HETATM 2374 O O3 . NAG D 4 . ? 0.354 -29.559 11.376 1.00 58.44 ? 500 NAG B O3 1 HETATM 2375 O O4 . NAG D 4 . ? 0.187 -26.992 10.099 1.00 62.46 ? 500 NAG B O4 1 HETATM 2376 O O5 . NAG D 4 . ? -3.326 -28.230 9.721 1.00 57.56 ? 500 NAG B O5 1 HETATM 2377 O O6 . NAG D 4 . ? -2.379 -26.978 7.410 1.00 58.94 ? 500 NAG B O6 1 HETATM 2378 O O7 . NAG D 4 . ? -2.360 -28.942 13.862 1.00 54.94 ? 500 NAG B O7 1 HETATM 2379 NA NA . NA E 5 . ? -16.711 -36.394 38.700 1.00 24.92 ? 398 NA B NA 1 HETATM 2380 NA NA . NA F 5 . ? -29.490 -33.889 30.624 1.00 34.37 ? 399 NA B NA 1 HETATM 2381 C C1 . BT3 G 6 . ? -23.994 -30.775 24.325 1.00 22.38 ? 400 BT3 B C1 1 HETATM 2382 C C2 . BT3 G 6 . ? -24.327 -32.009 23.506 1.00 23.31 ? 400 BT3 B C2 1 HETATM 2383 C C3 . BT3 G 6 . ? -23.438 -32.389 22.388 1.00 25.01 ? 400 BT3 B C3 1 HETATM 2384 C C4 . BT3 G 6 . ? -22.237 -31.565 22.039 1.00 24.34 ? 400 BT3 B C4 1 HETATM 2385 C C5 . BT3 G 6 . ? -21.930 -30.361 22.801 1.00 21.70 ? 400 BT3 B C5 1 HETATM 2386 C C6 . BT3 G 6 . ? -22.797 -29.950 23.971 1.00 24.72 ? 400 BT3 B C6 1 HETATM 2387 S S1 . BT3 G 6 . ? -23.472 -33.766 21.386 1.00 29.93 ? 400 BT3 B S1 1 HETATM 2388 C C8 . BT3 G 6 . ? -22.089 -33.373 20.486 1.00 31.10 ? 400 BT3 B C8 1 HETATM 2389 C C9 . BT3 G 6 . ? -21.485 -32.165 20.983 1.00 26.64 ? 400 BT3 B C9 1 HETATM 2390 C C7 . BT3 G 6 . ? -20.022 -31.772 20.676 1.00 27.86 ? 400 BT3 B C7 1 HETATM 2391 C C10 . BT3 G 6 . ? -21.567 -34.248 19.408 1.00 35.53 ? 400 BT3 B C10 1 HETATM 2392 C C12 . BT3 G 6 . ? -20.921 -33.719 18.181 1.00 36.92 ? 400 BT3 B C12 1 HETATM 2393 C C14 . BT3 G 6 . ? -20.284 -34.656 17.191 1.00 42.26 ? 400 BT3 B C14 1 HETATM 2394 C C16 . BT3 G 6 . ? -20.412 -36.146 17.526 1.00 45.06 ? 400 BT3 B C16 1 HETATM 2395 N N1 . BT3 G 6 . ? -21.010 -36.618 18.720 1.00 42.42 ? 400 BT3 B N1 1 HETATM 2396 C C20 . BT3 G 6 . ? -21.580 -35.713 19.634 1.00 39.34 ? 400 BT3 B C20 1 HETATM 2397 O O2 . BT3 G 6 . ? -20.272 -36.991 16.503 1.00 51.61 ? 400 BT3 B O2 1 HETATM 2398 C C24 . BT3 G 6 . ? -19.267 -38.056 16.816 1.00 59.43 ? 400 BT3 B C24 1 HETATM 2399 C C11 . BT3 G 6 . ? -18.990 -33.876 22.094 1.00 29.07 ? 400 BT3 B C11 1 HETATM 2400 C C13 . BT3 G 6 . ? -18.825 -32.632 21.243 1.00 29.53 ? 400 BT3 B C13 1 HETATM 2401 C C15 . BT3 G 6 . ? -17.402 -32.226 20.917 1.00 31.40 ? 400 BT3 B C15 1 HETATM 2402 C C32 . BT3 G 6 . ? -16.230 -33.093 21.354 1.00 33.74 ? 400 BT3 B C32 1 HETATM 2403 C C19 . BT3 G 6 . ? -16.490 -34.380 22.093 1.00 31.72 ? 400 BT3 B C19 1 HETATM 2404 C C21 . BT3 G 6 . ? -17.851 -34.701 22.543 1.00 29.44 ? 400 BT3 B C21 1 HETATM 2405 O O3 . BT3 G 6 . ? -15.437 -35.269 22.185 1.00 36.58 ? 400 BT3 B O3 1 HETATM 2406 C C25 . BT3 G 6 . ? -15.297 -36.353 23.142 1.00 39.70 ? 400 BT3 B C25 1 HETATM 2407 C C17 . BT3 G 6 . ? -13.321 -33.903 26.103 1.00 50.33 ? 400 BT3 B C17 1 HETATM 2408 C C23 . BT3 G 6 . ? -14.320 -34.177 27.184 1.00 50.31 ? 400 BT3 B C23 1 HETATM 2409 C C26 . BT3 G 6 . ? -15.136 -35.411 26.788 1.00 48.53 ? 400 BT3 B C26 1 HETATM 2410 N N2 . BT3 G 6 . ? -14.528 -35.772 25.469 1.00 47.47 ? 400 BT3 B N2 1 HETATM 2411 C C27 . BT3 G 6 . ? -13.740 -34.646 24.862 1.00 48.90 ? 400 BT3 B C27 1 HETATM 2412 C C22 . BT3 G 6 . ? -18.392 -37.547 13.833 1.00 69.87 ? 400 BT3 B C22 1 HETATM 2413 N N3 . BT3 G 6 . ? -17.774 -38.312 14.993 1.00 68.18 ? 400 BT3 B N3 1 HETATM 2414 C C28 . BT3 G 6 . ? -16.597 -39.169 14.522 1.00 69.91 ? 400 BT3 B C28 1 HETATM 2415 C C29 . BT3 G 6 . ? -16.114 -38.334 13.330 1.00 71.21 ? 400 BT3 B C29 1 HETATM 2416 C C30 . BT3 G 6 . ? -17.102 -37.181 13.116 1.00 71.19 ? 400 BT3 B C30 1 HETATM 2417 C C33 . BT3 G 6 . ? -15.699 -36.021 24.581 1.00 46.06 ? 400 BT3 B C33 1 HETATM 2418 C C34 . BT3 G 6 . ? -19.066 -38.886 15.536 1.00 64.22 ? 400 BT3 B C34 1 HETATM 2419 O O1 . BT3 G 6 . ? -24.693 -30.497 25.485 1.00 27.03 ? 400 BT3 B O1 1 HETATM 2420 O O . HOH H 7 . ? -37.697 -7.796 23.063 1.00 22.07 ? 37 HOH A O 1 HETATM 2421 O O . HOH H 7 . ? -41.912 -13.756 26.158 1.00 29.24 ? 38 HOH A O 1 HETATM 2422 O O . HOH H 7 . ? -33.682 -18.612 39.178 1.00 35.62 ? 39 HOH A O 1 HETATM 2423 O O . HOH H 7 . ? -36.261 -2.319 13.364 1.00 42.59 ? 40 HOH A O 1 HETATM 2424 O O . HOH H 7 . ? -40.909 -9.140 15.417 1.00 29.72 ? 41 HOH A O 1 HETATM 2425 O O . HOH H 7 . ? -38.014 -0.195 13.378 1.00 47.80 ? 42 HOH A O 1 HETATM 2426 O O . HOH H 7 . ? -45.123 -4.652 14.260 1.00 45.14 ? 43 HOH A O 1 HETATM 2427 O O . HOH H 7 . ? -37.058 -1.058 23.530 1.00 34.30 ? 44 HOH A O 1 HETATM 2428 O O . HOH H 7 . ? -44.589 -8.030 22.379 1.00 35.24 ? 45 HOH A O 1 HETATM 2429 O O . HOH H 7 . ? -16.967 -3.716 17.240 1.00 48.15 ? 46 HOH A O 1 HETATM 2430 O O . HOH H 7 . ? -33.784 -9.942 47.330 1.00 64.19 ? 47 HOH A O 1 HETATM 2431 O O . HOH H 7 . ? -26.271 3.236 17.384 1.00 60.32 ? 48 HOH A O 1 HETATM 2432 O O . HOH H 7 . ? -42.004 -7.310 13.583 1.00 44.27 ? 49 HOH A O 1 HETATM 2433 O O . HOH H 7 . ? -41.663 -11.813 37.649 1.00 49.51 ? 50 HOH A O 1 HETATM 2434 O O . HOH I 7 . ? -25.471 -23.812 17.073 1.00 15.69 ? 501 HOH B O 1 HETATM 2435 O O . HOH I 7 . ? -27.762 -14.620 11.470 1.00 16.37 ? 502 HOH B O 1 HETATM 2436 O O . HOH I 7 . ? -20.321 -18.781 19.336 1.00 18.99 ? 503 HOH B O 1 HETATM 2437 O O . HOH I 7 . ? -28.777 -18.625 21.451 1.00 21.24 ? 504 HOH B O 1 HETATM 2438 O O . HOH I 7 . ? -27.060 -17.830 9.841 1.00 22.88 ? 505 HOH B O 1 HETATM 2439 O O . HOH I 7 . ? -33.901 -9.029 14.285 1.00 19.86 ? 506 HOH B O 1 HETATM 2440 O O . HOH I 7 . ? -30.860 -27.353 36.620 1.00 25.74 ? 507 HOH B O 1 HETATM 2441 O O . HOH I 7 . ? -13.345 -24.182 27.908 1.00 20.17 ? 508 HOH B O 1 HETATM 2442 O O . HOH I 7 . ? -32.246 -14.800 21.053 1.00 28.21 ? 509 HOH B O 1 HETATM 2443 O O . HOH I 7 . ? -26.981 -28.197 27.732 1.00 16.25 ? 510 HOH B O 1 HETATM 2444 O O . HOH I 7 . ? -18.987 -15.705 30.426 1.00 20.40 ? 511 HOH B O 1 HETATM 2445 O O . HOH I 7 . ? -25.997 -25.310 14.498 1.00 19.78 ? 512 HOH B O 1 HETATM 2446 O O . HOH I 7 . ? -29.679 -31.626 31.795 1.00 20.25 ? 513 HOH B O 1 HETATM 2447 O O . HOH I 7 . ? -30.060 -25.216 37.821 1.00 23.97 ? 514 HOH B O 1 HETATM 2448 O O . HOH I 7 . ? -14.767 -26.375 27.109 1.00 24.05 ? 515 HOH B O 1 HETATM 2449 O O . HOH I 7 . ? -26.607 -35.624 27.711 1.00 32.85 ? 516 HOH B O 1 HETATM 2450 O O . HOH I 7 . ? -31.927 -13.696 11.845 1.00 29.21 ? 517 HOH B O 1 HETATM 2451 O O . HOH I 7 . ? -29.818 -9.609 5.217 1.00 22.73 ? 518 HOH B O 1 HETATM 2452 O O . HOH I 7 . ? -35.689 -29.102 18.848 1.00 31.21 ? 519 HOH B O 1 HETATM 2453 O O . HOH I 7 . ? -32.635 -16.118 13.992 1.00 18.33 ? 520 HOH B O 1 HETATM 2454 O O . HOH I 7 . ? -31.512 -28.078 16.069 1.00 19.57 ? 521 HOH B O 1 HETATM 2455 O O . HOH I 7 . ? -32.230 -30.636 30.200 1.00 20.91 ? 522 HOH B O 1 HETATM 2456 O O . HOH I 7 . ? -28.913 -4.606 12.024 1.00 23.28 ? 523 HOH B O 1 HETATM 2457 O O . HOH I 7 . ? -29.110 -30.745 29.259 1.00 37.14 ? 524 HOH B O 1 HETATM 2458 O O . HOH I 7 . ? -22.716 -34.319 32.284 1.00 23.30 ? 525 HOH B O 1 HETATM 2459 O O . HOH I 7 . ? -28.251 -33.441 28.428 1.00 34.29 ? 526 HOH B O 1 HETATM 2460 O O . HOH I 7 . ? -21.322 -30.292 16.617 1.00 30.83 ? 527 HOH B O 1 HETATM 2461 O O . HOH I 7 . ? -36.718 -18.677 4.379 1.00 31.49 ? 528 HOH B O 1 HETATM 2462 O O . HOH I 7 . ? -33.704 -14.971 7.944 1.00 32.27 ? 529 HOH B O 1 HETATM 2463 O O . HOH I 7 . ? -13.308 -19.560 3.359 1.00 36.65 ? 530 HOH B O 1 HETATM 2464 O O . HOH I 7 . ? -24.362 -34.670 39.416 1.00 24.34 ? 531 HOH B O 1 HETATM 2465 O O . HOH I 7 . ? -33.988 -14.863 10.908 1.00 28.53 ? 532 HOH B O 1 HETATM 2466 O O . HOH I 7 . ? -30.450 -16.245 12.170 1.00 28.72 ? 533 HOH B O 1 HETATM 2467 O O . HOH I 7 . ? -20.092 -7.517 20.050 1.00 34.06 ? 534 HOH B O 1 HETATM 2468 O O . HOH I 7 . ? -4.433 -20.391 15.175 1.00 38.94 ? 535 HOH B O 1 HETATM 2469 O O . HOH I 7 . ? -29.807 -16.347 20.368 1.00 22.72 ? 536 HOH B O 1 HETATM 2470 O O . HOH I 7 . ? -28.136 -24.285 0.881 1.00 41.04 ? 537 HOH B O 1 HETATM 2471 O O . HOH I 7 . ? -13.868 -31.986 37.833 1.00 36.85 ? 538 HOH B O 1 HETATM 2472 O O . HOH I 7 . ? -19.387 -6.569 22.674 1.00 29.20 ? 539 HOH B O 1 HETATM 2473 O O . HOH I 7 . ? -40.244 -11.691 13.802 1.00 34.98 ? 540 HOH B O 1 HETATM 2474 O O . HOH I 7 . ? -33.348 -34.816 32.406 1.00 33.02 ? 541 HOH B O 1 HETATM 2475 O O . HOH I 7 . ? -20.675 -21.955 37.034 1.00 35.43 ? 542 HOH B O 1 HETATM 2476 O O . HOH I 7 . ? -22.419 -22.984 41.605 1.00 41.87 ? 543 HOH B O 1 HETATM 2477 O O . HOH I 7 . ? -31.344 -3.299 40.117 1.00 29.91 ? 544 HOH B O 1 HETATM 2478 O O . HOH I 7 . ? -41.873 -25.710 17.301 1.00 39.85 ? 545 HOH B O 1 HETATM 2479 O O . HOH I 7 . ? -22.888 -41.572 40.434 1.00 21.59 ? 546 HOH B O 1 HETATM 2480 O O . HOH I 7 . ? -16.697 -35.186 40.946 1.00 30.75 ? 547 HOH B O 1 HETATM 2481 O O . HOH I 7 . ? -6.228 -27.921 30.912 1.00 37.52 ? 548 HOH B O 1 HETATM 2482 O O . HOH I 7 . ? -38.844 -12.589 6.314 1.00 32.51 ? 549 HOH B O 1 HETATM 2483 O O . HOH I 7 . ? -15.064 -38.004 38.726 1.00 22.63 ? 550 HOH B O 1 HETATM 2484 O O . HOH I 7 . ? -28.362 -12.196 -0.352 1.00 47.44 ? 551 HOH B O 1 HETATM 2485 O O . HOH I 7 . ? -32.038 -33.534 30.152 1.00 32.35 ? 552 HOH B O 1 HETATM 2486 O O . HOH I 7 . ? -36.331 -33.040 19.960 1.00 31.39 ? 553 HOH B O 1 HETATM 2487 O O . HOH I 7 . ? -22.032 -24.649 36.063 1.00 25.50 ? 554 HOH B O 1 HETATM 2488 O O . HOH I 7 . ? -38.202 -19.462 34.256 1.00 35.80 ? 555 HOH B O 1 HETATM 2489 O O . HOH I 7 . ? -41.432 -15.544 13.009 1.00 35.62 ? 556 HOH B O 1 HETATM 2490 O O . HOH I 7 . ? -35.350 -33.250 33.408 1.00 32.32 ? 557 HOH B O 1 HETATM 2491 O O . HOH I 7 . ? -30.921 -34.400 33.608 1.00 26.90 ? 558 HOH B O 1 HETATM 2492 O O . HOH I 7 . ? -34.357 -17.253 12.503 1.00 32.28 ? 559 HOH B O 1 HETATM 2493 O O . HOH I 7 . ? -43.170 -12.684 19.327 1.00 36.30 ? 560 HOH B O 1 HETATM 2494 O O . HOH I 7 . ? -7.578 -24.856 33.075 1.00 39.20 ? 561 HOH B O 1 HETATM 2495 O O . HOH I 7 . ? -31.586 -37.409 22.233 1.00 43.90 ? 562 HOH B O 1 HETATM 2496 O O . HOH I 7 . ? -37.258 -23.838 25.805 1.00 34.82 ? 563 HOH B O 1 HETATM 2497 O O . HOH I 7 . ? -6.588 -16.828 27.966 1.00 34.87 ? 564 HOH B O 1 HETATM 2498 O O . HOH I 7 . ? -13.772 -25.776 38.240 1.00 38.43 ? 565 HOH B O 1 HETATM 2499 O O . HOH I 7 . ? -18.833 -32.111 43.889 1.00 51.53 ? 566 HOH B O 1 HETATM 2500 O O . HOH I 7 . ? -22.084 -24.387 44.538 1.00 60.02 ? 567 HOH B O 1 HETATM 2501 O O . HOH I 7 . ? -38.189 -23.645 23.421 1.00 47.39 ? 568 HOH B O 1 HETATM 2502 O O . HOH I 7 . ? -25.128 -33.411 26.777 1.00 32.60 ? 569 HOH B O 1 HETATM 2503 O O . HOH I 7 . ? -13.390 -41.109 38.577 1.00 43.17 ? 570 HOH B O 1 HETATM 2504 O O . HOH I 7 . ? -9.453 -24.614 36.451 1.00 29.04 ? 571 HOH B O 1 HETATM 2505 O O . HOH I 7 . ? -14.869 -6.275 32.216 1.00 36.86 ? 572 HOH B O 1 HETATM 2506 O O . HOH I 7 . ? -10.065 -35.379 23.530 1.00 45.27 ? 573 HOH B O 1 HETATM 2507 O O . HOH I 7 . ? -17.658 -17.213 36.810 1.00 47.94 ? 574 HOH B O 1 HETATM 2508 O O . HOH I 7 . ? -5.430 -24.964 28.776 1.00 51.65 ? 575 HOH B O 1 HETATM 2509 O O . HOH I 7 . ? -24.650 -19.659 41.559 1.00 43.86 ? 576 HOH B O 1 HETATM 2510 O O . HOH I 7 . ? -36.850 -25.033 5.184 1.00 61.54 ? 577 HOH B O 1 HETATM 2511 O O . HOH I 7 . ? -42.223 -13.109 15.564 1.00 37.93 ? 578 HOH B O 1 HETATM 2512 O O . HOH I 7 . ? -24.917 -31.464 6.800 1.00 54.42 ? 579 HOH B O 1 HETATM 2513 O O . HOH I 7 . ? -39.708 -27.862 17.034 1.00 46.19 ? 580 HOH B O 1 HETATM 2514 O O . HOH I 7 . ? -17.698 -24.775 43.386 1.00 60.90 ? 581 HOH B O 1 HETATM 2515 O O . HOH I 7 . ? -32.225 -8.316 3.957 1.00 68.75 ? 582 HOH B O 1 HETATM 2516 O O . HOH I 7 . ? -27.928 -34.767 38.480 1.00 36.48 ? 583 HOH B O 1 HETATM 2517 O O . HOH I 7 . ? -14.995 -5.361 14.144 1.00 44.74 ? 584 HOH B O 1 HETATM 2518 O O . HOH I 7 . ? -32.164 -40.395 30.179 1.00 56.59 ? 585 HOH B O 1 HETATM 2519 O O . HOH I 7 . ? -28.245 -31.150 11.082 1.00 38.19 ? 586 HOH B O 1 HETATM 2520 O O . HOH I 7 . ? -9.447 -29.398 37.620 1.00 60.09 ? 587 HOH B O 1 HETATM 2521 O O . HOH I 7 . ? -3.440 -16.119 20.085 1.00 39.68 ? 588 HOH B O 1 HETATM 2522 O O . HOH I 7 . ? -4.097 -30.570 24.008 1.00 34.75 ? 589 HOH B O 1 HETATM 2523 O O . HOH I 7 . ? -34.882 -9.791 1.920 1.00 64.24 ? 590 HOH B O 1 HETATM 2524 O O . HOH I 7 . ? -33.071 -5.782 6.336 1.00 39.71 ? 591 HOH B O 1 HETATM 2525 O O . HOH I 7 . ? -24.521 -37.615 17.726 1.00 50.72 ? 592 HOH B O 1 HETATM 2526 O O . HOH I 7 . ? -31.248 -39.062 25.312 1.00 47.59 ? 593 HOH B O 1 HETATM 2527 O O . HOH I 7 . ? -26.880 -8.032 4.546 1.00 52.19 ? 594 HOH B O 1 HETATM 2528 O O . HOH I 7 . ? -13.350 -2.851 20.986 1.00 66.91 ? 595 HOH B O 1 HETATM 2529 O O . HOH I 7 . ? -3.989 -14.398 26.722 1.00 41.25 ? 596 HOH B O 1 HETATM 2530 O O . HOH I 7 . ? -20.211 -36.369 45.744 1.00 47.09 ? 597 HOH B O 1 HETATM 2531 O O . HOH I 7 . ? -4.056 -18.571 16.816 1.00 61.31 ? 598 HOH B O 1 HETATM 2532 O O . HOH I 7 . ? -35.490 -3.367 6.347 1.00 55.23 ? 599 HOH B O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 THR 1 1 ? ? ? A . n A 1 2 PHE 2 2 ? ? ? A . n A 1 3 GLY 3 3 ? ? ? A . n A 1 4 SER 4 4 ? ? ? A . n A 1 5 GLY 5 5 ? ? ? A . n A 1 6 GLU 6 6 6 GLU GLU A . n A 1 7 ALA 7 7 7 ALA ALA A . n A 1 8 ASP 8 8 8 ASP ASP A . n A 1 9 CYS 9 9 9 CYS CYS A . n A 1 10 GLY 10 10 10 GLY GLY A . n A 1 11 LEU 11 11 11 LEU LEU A . n A 1 12 ARG 12 12 12 ARG ARG A . n A 1 13 PRO 13 13 13 PRO PRO A . n A 1 14 LEU 14 14 14 LEU LEU A . n A 1 15 PHE 15 15 15 PHE PHE A . n A 1 16 GLU 16 16 16 GLU GLU A . n A 1 17 LYS 17 17 17 LYS LYS A . n A 1 18 LYS 18 18 18 LYS LYS A . n A 1 19 SER 19 19 19 SER SER A . n A 1 20 LEU 20 20 20 LEU LEU A . n A 1 21 GLU 21 21 21 GLU GLU A . n A 1 22 ASP 22 22 22 ASP ASP A . n A 1 23 LYS 23 23 23 LYS LYS A . n A 1 24 THR 24 24 24 THR THR A . n A 1 25 GLU 25 25 25 GLU GLU A . n A 1 26 ARG 26 26 26 ARG ARG A . n A 1 27 GLU 27 27 27 GLU GLU A . n A 1 28 LEU 28 28 28 LEU LEU A . n A 1 29 LEU 29 29 29 LEU LEU A . n A 1 30 GLU 30 30 30 GLU GLU A . n A 1 31 SER 31 31 31 SER SER A . n A 1 32 TYR 32 32 32 TYR TYR A . n A 1 33 ILE 33 33 33 ILE ILE A . n A 1 34 ASP 34 34 ? ? ? A . n A 1 35 GLY 35 35 ? ? ? A . n A 1 36 ARG 36 36 ? ? ? A . n B 2 1 ILE 1 37 37 ILE ILE B . n B 2 2 VAL 2 38 38 VAL VAL B . n B 2 3 GLU 3 39 39 GLU GLU B . n B 2 4 GLY 4 40 40 GLY GLY B . n B 2 5 SER 5 41 41 SER SER B . n B 2 6 ASP 6 42 42 ASP ASP B . n B 2 7 ALA 7 43 43 ALA ALA B . n B 2 8 GLU 8 44 44 GLU GLU B . n B 2 9 ILE 9 45 45 ILE ILE B . n B 2 10 GLY 10 46 46 GLY GLY B . n B 2 11 MET 11 47 47 MET MET B . n B 2 12 SER 12 48 48 SER SER B . n B 2 13 PRO 13 49 49 PRO PRO B . n B 2 14 TRP 14 50 50 TRP TRP B . n B 2 15 GLN 15 51 51 GLN GLN B . n B 2 16 VAL 16 52 52 VAL VAL B . n B 2 17 MET 17 53 53 MET MET B . n B 2 18 LEU 18 54 54 LEU LEU B . n B 2 19 PHE 19 55 55 PHE PHE B . n B 2 20 ARG 20 56 56 ARG ARG B . n B 2 21 LYS 21 57 57 LYS LYS B . n B 2 22 SER 22 58 58 SER SER B . n B 2 23 PRO 23 59 59 PRO PRO B . n B 2 24 GLN 24 60 60 GLN GLN B . n B 2 25 GLU 25 61 61 GLU GLU B . n B 2 26 LEU 26 62 62 LEU LEU B . n B 2 27 LEU 27 63 63 LEU LEU B . n B 2 28 CYS 28 64 64 CYS CYS B . n B 2 29 GLY 29 65 65 GLY GLY B . n B 2 30 ALA 30 66 66 ALA ALA B . n B 2 31 SER 31 67 67 SER SER B . n B 2 32 LEU 32 68 68 LEU LEU B . n B 2 33 ILE 33 69 69 ILE ILE B . n B 2 34 SER 34 70 70 SER SER B . n B 2 35 ASP 35 71 71 ASP ASP B . n B 2 36 ARG 36 72 72 ARG ARG B . n B 2 37 TRP 37 73 73 TRP TRP B . n B 2 38 VAL 38 74 74 VAL VAL B . n B 2 39 LEU 39 75 75 LEU LEU B . n B 2 40 THR 40 76 76 THR THR B . n B 2 41 ALA 41 77 77 ALA ALA B . n B 2 42 ALA 42 78 78 ALA ALA B . n B 2 43 HIS 43 79 79 HIS HIS B . n B 2 44 CYS 44 80 80 CYS CYS B . n B 2 45 LEU 45 81 81 LEU LEU B . n B 2 46 LEU 46 82 82 LEU LEU B . n B 2 47 TYR 47 83 83 TYR TYR B . n B 2 48 PRO 48 84 84 PRO PRO B . n B 2 49 PRO 49 85 85 PRO PRO B . n B 2 50 TRP 50 86 86 TRP TRP B . n B 2 51 ASP 51 87 87 ASP ASP B . n B 2 52 LYS 52 88 88 LYS LYS B . n B 2 53 ASN 53 89 89 ASN ASN B . n B 2 54 PHE 54 90 90 PHE PHE B . n B 2 55 THR 55 91 91 THR THR B . n B 2 56 GLU 56 92 92 GLU GLU B . n B 2 57 ASN 57 93 93 ASN ASN B . n B 2 58 ASP 58 94 94 ASP ASP B . n B 2 59 LEU 59 95 95 LEU LEU B . n B 2 60 LEU 60 96 96 LEU LEU B . n B 2 61 VAL 61 97 97 VAL VAL B . n B 2 62 ARG 62 98 98 ARG ARG B . n B 2 63 ILE 63 99 99 ILE ILE B . n B 2 64 GLY 64 100 100 GLY GLY B . n B 2 65 LYS 65 101 101 LYS LYS B . n B 2 66 HIS 66 102 102 HIS HIS B . n B 2 67 SER 67 103 103 SER SER B . n B 2 68 ARG 68 104 104 ARG ARG B . n B 2 69 THR 69 105 105 THR THR B . n B 2 70 ARG 70 106 106 ARG ARG B . n B 2 71 TYR 71 107 107 TYR TYR B . n B 2 72 GLU 72 108 108 GLU GLU B . n B 2 73 ARG 73 109 109 ARG ARG B . n B 2 74 ASN 74 110 110 ASN ASN B . n B 2 75 ILE 75 111 111 ILE ILE B . n B 2 76 GLU 76 112 112 GLU GLU B . n B 2 77 LYS 77 113 113 LYS LYS B . n B 2 78 ILE 78 114 114 ILE ILE B . n B 2 79 SER 79 115 115 SER SER B . n B 2 80 MET 80 116 116 MET MET B . n B 2 81 LEU 81 117 117 LEU LEU B . n B 2 82 GLU 82 118 118 GLU GLU B . n B 2 83 LYS 83 119 119 LYS LYS B . n B 2 84 ILE 84 120 120 ILE ILE B . n B 2 85 TYR 85 121 121 TYR TYR B . n B 2 86 ILE 86 122 122 ILE ILE B . n B 2 87 HIS 87 123 123 HIS HIS B . n B 2 88 PRO 88 124 124 PRO PRO B . n B 2 89 ARG 89 125 125 ARG ARG B . n B 2 90 TYR 90 126 126 TYR TYR B . n B 2 91 ASN 91 127 127 ASN ASN B . n B 2 92 TRP 92 128 128 TRP TRP B . n B 2 93 ARG 93 129 129 ARG ARG B . n B 2 94 GLU 94 130 130 GLU GLU B . n B 2 95 ASN 95 131 131 ASN ASN B . n B 2 96 LEU 96 132 132 LEU LEU B . n B 2 97 ASP 97 133 133 ASP ASP B . n B 2 98 ARG 98 134 134 ARG ARG B . n B 2 99 ASP 99 135 135 ASP ASP B . n B 2 100 ILE 100 136 136 ILE ILE B . n B 2 101 ALA 101 137 137 ALA ALA B . n B 2 102 LEU 102 138 138 LEU LEU B . n B 2 103 MET 103 139 139 MET MET B . n B 2 104 LYS 104 140 140 LYS LYS B . n B 2 105 LEU 105 141 141 LEU LEU B . n B 2 106 LYS 106 142 142 LYS LYS B . n B 2 107 LYS 107 143 143 LYS LYS B . n B 2 108 PRO 108 144 144 PRO PRO B . n B 2 109 VAL 109 145 145 VAL VAL B . n B 2 110 ALA 110 146 146 ALA ALA B . n B 2 111 PHE 111 147 147 PHE PHE B . n B 2 112 SER 112 148 148 SER SER B . n B 2 113 ASP 113 149 149 ASP ASP B . n B 2 114 TYR 114 150 150 TYR TYR B . n B 2 115 ILE 115 151 151 ILE ILE B . n B 2 116 HIS 116 152 152 HIS HIS B . n B 2 117 PRO 117 153 153 PRO PRO B . n B 2 118 VAL 118 154 154 VAL VAL B . n B 2 119 CYS 119 155 155 CYS CYS B . n B 2 120 LEU 120 156 156 LEU LEU B . n B 2 121 PRO 121 157 157 PRO PRO B . n B 2 122 ASP 122 158 158 ASP ASP B . n B 2 123 ARG 123 159 159 ARG ARG B . n B 2 124 GLU 124 160 160 GLU GLU B . n B 2 125 THR 125 161 161 THR THR B . n B 2 126 ALA 126 162 162 ALA ALA B . n B 2 127 ALA 127 163 163 ALA ALA B . n B 2 128 SER 128 164 164 SER SER B . n B 2 129 LEU 129 165 165 LEU LEU B . n B 2 130 LEU 130 166 166 LEU LEU B . n B 2 131 GLN 131 167 167 GLN GLN B . n B 2 132 ALA 132 168 168 ALA ALA B . n B 2 133 GLY 133 169 169 GLY GLY B . n B 2 134 TYR 134 170 170 TYR TYR B . n B 2 135 LYS 135 171 171 LYS LYS B . n B 2 136 GLY 136 172 172 GLY GLY B . n B 2 137 ARG 137 173 173 ARG ARG B . n B 2 138 VAL 138 174 174 VAL VAL B . n B 2 139 THR 139 175 175 THR THR B . n B 2 140 GLY 140 176 176 GLY GLY B . n B 2 141 TRP 141 177 177 TRP TRP B . n B 2 142 GLY 142 178 178 GLY GLY B . n B 2 143 ASN 143 179 179 ASN ASN B . n B 2 144 LEU 144 180 180 LEU LEU B . n B 2 145 LYS 145 181 181 LYS LYS B . n B 2 146 GLU 146 182 182 GLU GLU B . n B 2 147 THR 147 183 183 THR THR B . n B 2 148 TRP 148 184 ? ? ? B . n B 2 149 THR 149 185 ? ? ? B . n B 2 150 ALA 150 186 ? ? ? B . n B 2 151 ASN 151 187 ? ? ? B . n B 2 152 VAL 152 188 ? ? ? B . n B 2 153 GLY 153 189 ? ? ? B . n B 2 154 LYS 154 190 ? ? ? B . n B 2 155 GLY 155 191 191 GLY GLY B . n B 2 156 GLN 156 192 192 GLN GLN B . n B 2 157 PRO 157 193 193 PRO PRO B . n B 2 158 SER 158 194 194 SER SER B . n B 2 159 VAL 159 195 195 VAL VAL B . n B 2 160 LEU 160 196 196 LEU LEU B . n B 2 161 GLN 161 197 197 GLN GLN B . n B 2 162 VAL 162 198 198 VAL VAL B . n B 2 163 VAL 163 199 199 VAL VAL B . n B 2 164 ASN 164 200 200 ASN ASN B . n B 2 165 LEU 165 201 201 LEU LEU B . n B 2 166 PRO 166 202 202 PRO PRO B . n B 2 167 ILE 167 203 203 ILE ILE B . n B 2 168 VAL 168 204 204 VAL VAL B . n B 2 169 GLU 169 205 205 GLU GLU B . n B 2 170 ARG 170 206 206 ARG ARG B . n B 2 171 PRO 171 207 207 PRO PRO B . n B 2 172 VAL 172 208 208 VAL VAL B . n B 2 173 CYS 173 209 209 CYS CYS B . n B 2 174 LYS 174 210 210 LYS LYS B . n B 2 175 ASP 175 211 211 ASP ASP B . n B 2 176 SER 176 212 212 SER SER B . n B 2 177 THR 177 213 213 THR THR B . n B 2 178 ARG 178 214 214 ARG ARG B . n B 2 179 ILE 179 215 215 ILE ILE B . n B 2 180 ARG 180 216 216 ARG ARG B . n B 2 181 ILE 181 217 217 ILE ILE B . n B 2 182 THR 182 218 218 THR THR B . n B 2 183 ASP 183 219 219 ASP ASP B . n B 2 184 ASN 184 220 220 ASN ASN B . n B 2 185 MET 185 221 221 MET MET B . n B 2 186 PHE 186 222 222 PHE PHE B . n B 2 187 CYS 187 223 223 CYS CYS B . n B 2 188 ALA 188 224 224 ALA ALA B . n B 2 189 GLY 189 225 225 GLY GLY B . n B 2 190 TYR 190 226 226 TYR TYR B . n B 2 191 LYS 191 227 227 LYS LYS B . n B 2 192 PRO 192 228 228 PRO PRO B . n B 2 193 ASP 193 229 229 ASP ASP B . n B 2 194 GLU 194 230 230 GLU GLU B . n B 2 195 GLY 195 231 231 GLY GLY B . n B 2 196 LYS 196 232 232 LYS LYS B . n B 2 197 ARG 197 233 233 ARG ARG B . n B 2 198 GLY 198 234 234 GLY GLY B . n B 2 199 ASP 199 235 235 ASP ASP B . n B 2 200 ALA 200 236 236 ALA ALA B . n B 2 201 CYS 201 237 237 CYS CYS B . n B 2 202 GLU 202 238 238 GLU GLU B . n B 2 203 GLY 203 239 239 GLY GLY B . n B 2 204 ASP 204 240 240 ASP ASP B . n B 2 205 SER 205 241 241 SER SER B . n B 2 206 GLY 206 242 242 GLY GLY B . n B 2 207 GLY 207 243 243 GLY GLY B . n B 2 208 PRO 208 244 244 PRO PRO B . n B 2 209 PHE 209 245 245 PHE PHE B . n B 2 210 VAL 210 246 246 VAL VAL B . n B 2 211 MET 211 247 247 MET MET B . n B 2 212 LYS 212 248 248 LYS LYS B . n B 2 213 SER 213 249 249 SER SER B . n B 2 214 PRO 214 250 250 PRO PRO B . n B 2 215 PHE 215 251 251 PHE PHE B . n B 2 216 ASN 216 252 252 ASN ASN B . n B 2 217 ASN 217 253 253 ASN ASN B . n B 2 218 ARG 218 254 254 ARG ARG B . n B 2 219 TRP 219 255 255 TRP TRP B . n B 2 220 TYR 220 256 256 TYR TYR B . n B 2 221 GLN 221 257 257 GLN GLN B . n B 2 222 MET 222 258 258 MET MET B . n B 2 223 GLY 223 259 259 GLY GLY B . n B 2 224 ILE 224 260 260 ILE ILE B . n B 2 225 VAL 225 261 261 VAL VAL B . n B 2 226 SER 226 262 262 SER SER B . n B 2 227 TRP 227 263 263 TRP TRP B . n B 2 228 GLY 228 264 264 GLY GLY B . n B 2 229 GLU 229 265 265 GLU GLU B . n B 2 230 GLY 230 266 266 GLY GLY B . n B 2 231 CYS 231 267 267 CYS CYS B . n B 2 232 ASP 232 268 268 ASP ASP B . n B 2 233 ARG 233 269 269 ARG ARG B . n B 2 234 ASP 234 270 270 ASP ASP B . n B 2 235 GLY 235 271 271 GLY GLY B . n B 2 236 LYS 236 272 272 LYS LYS B . n B 2 237 TYR 237 273 273 TYR TYR B . n B 2 238 GLY 238 274 274 GLY GLY B . n B 2 239 PHE 239 275 275 PHE PHE B . n B 2 240 TYR 240 276 276 TYR TYR B . n B 2 241 THR 241 277 277 THR THR B . n B 2 242 HIS 242 278 278 HIS HIS B . n B 2 243 VAL 243 279 279 VAL VAL B . n B 2 244 PHE 244 280 280 PHE PHE B . n B 2 245 ARG 245 281 281 ARG ARG B . n B 2 246 LEU 246 282 282 LEU LEU B . n B 2 247 LYS 247 283 283 LYS LYS B . n B 2 248 LYS 248 284 284 LYS LYS B . n B 2 249 TRP 249 285 285 TRP TRP B . n B 2 250 ILE 250 286 286 ILE ILE B . n B 2 251 GLN 251 287 287 GLN GLN B . n B 2 252 LYS 252 288 288 LYS LYS B . n B 2 253 VAL 253 289 289 VAL VAL B . n B 2 254 ILE 254 290 290 ILE ILE B . n B 2 255 ASP 255 291 291 ASP ASP B . n B 2 256 GLN 256 292 292 GLN GLN B . n B 2 257 PHE 257 293 293 PHE PHE B . n B 2 258 GLY 258 294 ? ? ? B . n B 2 259 GLU 259 295 ? ? ? B . n C 3 1 GLY 1 300 300 GLY GLY H . n C 3 2 ASP 2 301 301 ASP ASP H . n C 3 3 PHE 3 302 302 PHE PHE H . n C 3 4 GLU 4 303 303 GLU GLU H . n C 3 5 GLU 5 304 304 GLU GLU H . n C 3 6 ILE 6 305 305 ILE ILE H . n C 3 7 PRO 7 306 306 PRO PRO H . n C 3 8 GLU 8 307 307 GLU GLU H . n C 3 9 GLU 9 308 308 GLU GLU H . n C 3 10 TYS 10 309 309 TYS TYS H . n C 3 11 LEU 11 310 310 LEU LEU H . n C 3 12 GLN 12 311 311 GLN GLN H . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 B ASN 53 B ASN 89 ? ASN 'GLYCOSYLATION SITE' 2 C TYS 10 H TYS 309 ? TYR O-SULFO-L-TYROSINE # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _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 # _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 ? B LYS 174 ? B LYS 210 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? B THR 177 ? B THR 213 ? 1_555 81.2 ? 2 O ? B LYS 174 ? B LYS 210 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 550 ? 1_555 169.2 ? 3 O ? B THR 177 ? B THR 213 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 550 ? 1_555 92.6 ? 4 O ? B LYS 174 ? B LYS 210 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 547 ? 1_555 77.8 ? 5 O ? B THR 177 ? B THR 213 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 547 ? 1_555 158.9 ? 6 O ? I HOH . ? B HOH 550 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 547 ? 1_555 108.5 ? 7 O ? B LYS 174 ? B LYS 210 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? B PHE 215 ? B PHE 251 ? 4_446 98.0 ? 8 O ? B THR 177 ? B THR 213 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? B PHE 215 ? B PHE 251 ? 4_446 99.6 ? 9 O ? I HOH . ? B HOH 550 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? B PHE 215 ? B PHE 251 ? 4_446 91.8 ? 10 O ? I HOH . ? B HOH 547 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? B PHE 215 ? B PHE 251 ? 4_446 81.1 ? 11 O ? I HOH . ? B HOH 526 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? B ARG 233 ? B ARG 269 ? 1_555 100.7 ? 12 O ? I HOH . ? B HOH 526 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? I HOH . ? B HOH 513 ? 1_555 105.9 ? 13 O ? B ARG 233 ? B ARG 269 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? I HOH . ? B HOH 513 ? 1_555 150.8 ? 14 O ? I HOH . ? B HOH 526 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? B LYS 236 ? B LYS 272 ? 1_555 91.3 ? 15 O ? B ARG 233 ? B ARG 269 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? B LYS 236 ? B LYS 272 ? 1_555 94.5 ? 16 O ? I HOH . ? B HOH 513 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? B LYS 236 ? B LYS 272 ? 1_555 73.1 ? 17 O ? I HOH . ? B HOH 526 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? I HOH . ? B HOH 552 ? 1_555 107.0 ? 18 O ? B ARG 233 ? B ARG 269 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? I HOH . ? B HOH 552 ? 1_555 100.1 ? 19 O ? I HOH . ? B HOH 513 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? I HOH . ? B HOH 552 ? 1_555 83.7 ? 20 O ? B LYS 236 ? B LYS 272 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? I HOH . ? B HOH 552 ? 1_555 153.8 ? # 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 2000-10-04 2 'Structure model' 1 1 2008-04-27 3 'Structure model' 1 2 2011-07-13 # _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' 'Version format compliance' 2 3 'Structure model' 'Atomic model' 3 3 'Structure model' 'Database references' 4 3 'Structure model' 'Derived calculations' 5 3 'Structure model' 'Non-polymer description' 6 3 'Structure model' 'Structure summary' 7 3 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal DENZO 'data reduction' . ? 1 SCALEPACK 'data scaling' . ? 2 X-PLOR 'model building' . ? 3 X-PLOR refinement 98.0 ? 4 X-PLOR phasing . ? 5 # 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 A 15 ? ? -130.00 -82.63 2 1 TYR B 83 ? ? -159.65 86.30 3 1 ASN B 89 ? ? -160.53 82.37 4 1 HIS B 102 ? ? -135.40 -51.00 5 1 ASN B 110 ? ? 67.33 -1.32 6 1 SER B 262 ? ? -107.22 -66.46 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 0 B LYS 143 ? CD ? B LYS 107 CD 2 1 Y 0 B LYS 143 ? CE ? B LYS 107 CE 3 1 Y 0 B LYS 143 ? NZ ? B LYS 107 NZ # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A THR 1 ? A THR 1 2 1 Y 1 A PHE 2 ? A PHE 2 3 1 Y 1 A GLY 3 ? A GLY 3 4 1 Y 1 A SER 4 ? A SER 4 5 1 Y 1 A GLY 5 ? A GLY 5 6 1 Y 1 A ASP 34 ? A ASP 34 7 1 Y 1 A GLY 35 ? A GLY 35 8 1 Y 1 A ARG 36 ? A ARG 36 9 1 Y 1 B TRP 184 ? B TRP 148 10 1 Y 1 B THR 185 ? B THR 149 11 1 Y 1 B ALA 186 ? B ALA 150 12 1 Y 1 B ASN 187 ? B ASN 151 13 1 Y 1 B VAL 188 ? B VAL 152 14 1 Y 1 B GLY 189 ? B GLY 153 15 1 Y 1 B LYS 190 ? B LYS 154 16 1 Y 1 B GLY 294 ? B GLY 258 17 1 Y 1 B GLU 295 ? B GLU 259 # 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 '3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHEN-6-OL' BT3 7 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 1 500 500 NAG NAG B . E 5 NA 1 398 398 NA NA B . F 5 NA 1 399 399 NA NA B . G 6 BT3 1 400 400 BT3 BT3 B . H 7 HOH 1 37 26 HOH HOH A . H 7 HOH 2 38 31 HOH HOH A . H 7 HOH 3 39 52 HOH HOH A . H 7 HOH 4 40 57 HOH HOH A . H 7 HOH 5 41 58 HOH HOH A . H 7 HOH 6 42 86 HOH HOH A . H 7 HOH 7 43 89 HOH HOH A . H 7 HOH 8 44 92 HOH HOH A . H 7 HOH 9 45 94 HOH HOH A . H 7 HOH 10 46 102 HOH HOH A . H 7 HOH 11 47 106 HOH HOH A . H 7 HOH 12 48 107 HOH HOH A . H 7 HOH 13 49 110 HOH HOH A . H 7 HOH 14 50 116 HOH HOH A . I 7 HOH 1 501 1 HOH HOH B . I 7 HOH 2 502 2 HOH HOH B . I 7 HOH 3 503 3 HOH HOH B . I 7 HOH 4 504 4 HOH HOH B . I 7 HOH 5 505 5 HOH HOH B . I 7 HOH 6 506 6 HOH HOH B . I 7 HOH 7 507 7 HOH HOH B . I 7 HOH 8 508 8 HOH HOH B . I 7 HOH 9 509 9 HOH HOH B . I 7 HOH 10 510 10 HOH HOH B . I 7 HOH 11 511 11 HOH HOH B . I 7 HOH 12 512 12 HOH HOH B . I 7 HOH 13 513 13 HOH HOH B . I 7 HOH 14 514 14 HOH HOH B . I 7 HOH 15 515 15 HOH HOH B . I 7 HOH 16 516 16 HOH HOH B . I 7 HOH 17 517 17 HOH HOH B . I 7 HOH 18 518 18 HOH HOH B . I 7 HOH 19 519 19 HOH HOH B . I 7 HOH 20 520 20 HOH HOH B . I 7 HOH 21 521 21 HOH HOH B . I 7 HOH 22 522 22 HOH HOH B . I 7 HOH 23 523 23 HOH HOH B . I 7 HOH 24 524 24 HOH HOH B . I 7 HOH 25 525 25 HOH HOH B . I 7 HOH 26 526 27 HOH HOH B . I 7 HOH 27 527 28 HOH HOH B . I 7 HOH 28 528 29 HOH HOH B . I 7 HOH 29 529 30 HOH HOH B . I 7 HOH 30 530 32 HOH HOH B . I 7 HOH 31 531 33 HOH HOH B . I 7 HOH 32 532 34 HOH HOH B . I 7 HOH 33 533 35 HOH HOH B . I 7 HOH 34 534 36 HOH HOH B . I 7 HOH 35 535 37 HOH HOH B . I 7 HOH 36 536 38 HOH HOH B . I 7 HOH 37 537 39 HOH HOH B . I 7 HOH 38 538 40 HOH HOH B . I 7 HOH 39 539 41 HOH HOH B . I 7 HOH 40 540 42 HOH HOH B . I 7 HOH 41 541 43 HOH HOH B . I 7 HOH 42 542 44 HOH HOH B . I 7 HOH 43 543 45 HOH HOH B . I 7 HOH 44 544 46 HOH HOH B . I 7 HOH 45 545 47 HOH HOH B . I 7 HOH 46 546 48 HOH HOH B . I 7 HOH 47 547 49 HOH HOH B . I 7 HOH 48 548 50 HOH HOH B . I 7 HOH 49 549 51 HOH HOH B . I 7 HOH 50 550 53 HOH HOH B . I 7 HOH 51 551 54 HOH HOH B . I 7 HOH 52 552 55 HOH HOH B . I 7 HOH 53 553 56 HOH HOH B . I 7 HOH 54 554 59 HOH HOH B . I 7 HOH 55 555 60 HOH HOH B . I 7 HOH 56 556 61 HOH HOH B . I 7 HOH 57 557 62 HOH HOH B . I 7 HOH 58 558 63 HOH HOH B . I 7 HOH 59 559 64 HOH HOH B . I 7 HOH 60 560 65 HOH HOH B . I 7 HOH 61 561 66 HOH HOH B . I 7 HOH 62 562 67 HOH HOH B . I 7 HOH 63 563 68 HOH HOH B . I 7 HOH 64 564 69 HOH HOH B . I 7 HOH 65 565 70 HOH HOH B . I 7 HOH 66 566 71 HOH HOH B . I 7 HOH 67 567 72 HOH HOH B . I 7 HOH 68 568 73 HOH HOH B . I 7 HOH 69 569 74 HOH HOH B . I 7 HOH 70 570 76 HOH HOH B . I 7 HOH 71 571 77 HOH HOH B . I 7 HOH 72 572 78 HOH HOH B . I 7 HOH 73 573 79 HOH HOH B . I 7 HOH 74 574 80 HOH HOH B . I 7 HOH 75 575 81 HOH HOH B . I 7 HOH 76 576 82 HOH HOH B . I 7 HOH 77 577 83 HOH HOH B . I 7 HOH 78 578 84 HOH HOH B . I 7 HOH 79 579 87 HOH HOH B . I 7 HOH 80 580 88 HOH HOH B . I 7 HOH 81 581 90 HOH HOH B . I 7 HOH 82 582 91 HOH HOH B . I 7 HOH 83 583 93 HOH HOH B . I 7 HOH 84 584 97 HOH HOH B . I 7 HOH 85 585 98 HOH HOH B . I 7 HOH 86 586 99 HOH HOH B . I 7 HOH 87 587 100 HOH HOH B . I 7 HOH 88 588 101 HOH HOH B . I 7 HOH 89 589 105 HOH HOH B . I 7 HOH 90 590 108 HOH HOH B . I 7 HOH 91 591 109 HOH HOH B . I 7 HOH 92 592 111 HOH HOH B . I 7 HOH 93 593 112 HOH HOH B . I 7 HOH 94 594 113 HOH HOH B . I 7 HOH 95 595 114 HOH HOH B . I 7 HOH 96 596 115 HOH HOH B . I 7 HOH 97 597 117 HOH HOH B . I 7 HOH 98 598 118 HOH HOH B . I 7 HOH 99 599 119 HOH HOH B . #