data_4AX9 # _entry.id 4AX9 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4AX9 PDBE EBI-52837 WWPDB D_1290052837 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 4AXL unspecified 'HUMAN CATHEPSIN L APO FORM WITH ZN' PDB 4AXM unspecified 'TRIAZINE CATHEPSIN INHIBITOR COMPLEX' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4AX9 _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2012-06-11 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Banner, D.W.' 1 ;D'Arcy, A. ; 2 'Winkler, F.K.' 3 'Hilpert, K.' 4 'Spinelli, S.' 5 'Cambillau, C.' 6 # _citation.id primary _citation.title 'Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.' _citation.journal_abbrev J.Med.Chem. _citation.journal_volume 37 _citation.page_first 3889 _citation.page_last ? _citation.year 1994 _citation.journal_id_ASTM JMCMAR _citation.country US _citation.journal_id_ISSN 0022-2623 _citation.journal_id_CSD 0151 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 7966150 _citation.pdbx_database_id_DOI 10.1021/JM00049A008 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Hilpert, K.' 1 primary 'Ackermann, J.' 2 primary 'Banner, D.W.' 3 primary 'Gast, A.' 4 primary 'Gubernator, K.' 5 primary 'Hadvary, P.' 6 primary 'Labler, L.' 7 primary 'Muller, K.' 8 primary 'Schmid, G.' 9 primary 'Tschopp, T.B.' 10 # _cell.entry_id 4AX9 _cell.length_a 71.400 _cell.length_b 72.040 _cell.length_c 72.700 _cell.angle_alpha 90.00 _cell.angle_beta 100.80 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4AX9 _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 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat PROTHROMBIN 29594.055 1 3.4.21.5 ? 'THROMBIN HEAVY CHAIN, RESIDUES 364-620' ? 2 polymer nat 'HIRUDIN VARIANT-1' 1411.465 1 ? ? 'C-TERMINAL DOMAIN, RESIDUES 55-65' ? 3 polymer nat PROTHROMBIN 3303.715 1 3.4.21.5 ? 'THROMBIN LIGHT CHAIN, RESIDUES 334-361' ? 4 non-polymer syn 'SODIUM ION' 22.990 2 ? ? ? ? 5 non-polymer syn ;2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclopropyl-amino]ethanoic acid ; 558.650 1 ? ? ? ? 6 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 7 water nat water 18.015 217 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 ;THROMBIN, COAGULATION FACTOR II, ACTIVATION PEPTIDE FRAGMENT 1, ACTIVATION PEPTIDE FRAGMENT 2, THROMBIN LIGHT CHAIN, THROMBIN HEAVY CHAIN ; 2 'HIRUDIN, HIRUDIN-1, HIRUDIN-I, LEPIRUDIN' 3 ;THROMBIN, COAGULATION FACTOR II, ACTIVATION PEPTIDE FRAGMENT 1, ACTIVATION PEPTIDE FRAGMENT 2, THROMBIN LIGHT CHAIN, THROMBIN HEAVY CHAIN ; # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQF ; ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQF ; H ? 2 'polypeptide(L)' no no DFEEIPEEYLQ DFEEIPEEYLQ I ? 3 'polypeptide(L)' no no ADCGLRPLFEKKSLEDKTERELLESYID ADCGLRPLFEKKSLEDKTERELLESYID L ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ILE n 1 2 VAL n 1 3 GLU n 1 4 GLY n 1 5 SER n 1 6 ASP n 1 7 ALA n 1 8 GLU n 1 9 ILE n 1 10 GLY n 1 11 MET n 1 12 SER n 1 13 PRO n 1 14 TRP n 1 15 GLN n 1 16 VAL n 1 17 MET n 1 18 LEU n 1 19 PHE n 1 20 ARG n 1 21 LYS n 1 22 SER n 1 23 PRO n 1 24 GLN n 1 25 GLU n 1 26 LEU n 1 27 LEU n 1 28 CYS n 1 29 GLY n 1 30 ALA n 1 31 SER n 1 32 LEU n 1 33 ILE n 1 34 SER n 1 35 ASP n 1 36 ARG n 1 37 TRP n 1 38 VAL n 1 39 LEU n 1 40 THR n 1 41 ALA n 1 42 ALA n 1 43 HIS n 1 44 CYS n 1 45 LEU n 1 46 LEU n 1 47 TYR n 1 48 PRO n 1 49 PRO n 1 50 TRP n 1 51 ASP n 1 52 LYS n 1 53 ASN n 1 54 PHE n 1 55 THR n 1 56 GLU n 1 57 ASN n 1 58 ASP n 1 59 LEU n 1 60 LEU n 1 61 VAL n 1 62 ARG n 1 63 ILE n 1 64 GLY n 1 65 LYS n 1 66 HIS n 1 67 SER n 1 68 ARG n 1 69 THR n 1 70 ARG n 1 71 TYR n 1 72 GLU n 1 73 ARG n 1 74 ASN n 1 75 ILE n 1 76 GLU n 1 77 LYS n 1 78 ILE n 1 79 SER n 1 80 MET n 1 81 LEU n 1 82 GLU n 1 83 LYS n 1 84 ILE n 1 85 TYR n 1 86 ILE n 1 87 HIS n 1 88 PRO n 1 89 ARG n 1 90 TYR n 1 91 ASN n 1 92 TRP n 1 93 ARG n 1 94 GLU n 1 95 ASN n 1 96 LEU n 1 97 ASP n 1 98 ARG n 1 99 ASP n 1 100 ILE n 1 101 ALA n 1 102 LEU n 1 103 MET n 1 104 LYS n 1 105 LEU n 1 106 LYS n 1 107 LYS n 1 108 PRO n 1 109 VAL n 1 110 ALA n 1 111 PHE n 1 112 SER n 1 113 ASP n 1 114 TYR n 1 115 ILE n 1 116 HIS n 1 117 PRO n 1 118 VAL n 1 119 CYS n 1 120 LEU n 1 121 PRO n 1 122 ASP n 1 123 ARG n 1 124 GLU n 1 125 THR n 1 126 ALA n 1 127 ALA n 1 128 SER n 1 129 LEU n 1 130 LEU n 1 131 GLN n 1 132 ALA n 1 133 GLY n 1 134 TYR n 1 135 LYS n 1 136 GLY n 1 137 ARG n 1 138 VAL n 1 139 THR n 1 140 GLY n 1 141 TRP n 1 142 GLY n 1 143 ASN n 1 144 LEU n 1 145 LYS n 1 146 GLU n 1 147 THR n 1 148 TRP n 1 149 THR n 1 150 ALA n 1 151 ASN n 1 152 VAL n 1 153 GLY n 1 154 LYS n 1 155 GLY n 1 156 GLN n 1 157 PRO n 1 158 SER n 1 159 VAL n 1 160 LEU n 1 161 GLN n 1 162 VAL n 1 163 VAL n 1 164 ASN n 1 165 LEU n 1 166 PRO n 1 167 ILE n 1 168 VAL n 1 169 GLU n 1 170 ARG n 1 171 PRO n 1 172 VAL n 1 173 CYS n 1 174 LYS n 1 175 ASP n 1 176 SER n 1 177 THR n 1 178 ARG n 1 179 ILE n 1 180 ARG n 1 181 ILE n 1 182 THR n 1 183 ASP n 1 184 ASN n 1 185 MET n 1 186 PHE n 1 187 CYS n 1 188 ALA n 1 189 GLY n 1 190 TYR n 1 191 LYS n 1 192 PRO n 1 193 ASP n 1 194 GLU n 1 195 GLY n 1 196 LYS n 1 197 ARG n 1 198 GLY n 1 199 ASP n 1 200 ALA n 1 201 CYS n 1 202 GLU n 1 203 GLY n 1 204 ASP n 1 205 SER n 1 206 GLY n 1 207 GLY n 1 208 PRO n 1 209 PHE n 1 210 VAL n 1 211 MET n 1 212 LYS n 1 213 SER n 1 214 PRO n 1 215 PHE n 1 216 ASN n 1 217 ASN n 1 218 ARG n 1 219 TRP n 1 220 TYR n 1 221 GLN n 1 222 MET n 1 223 GLY n 1 224 ILE n 1 225 VAL n 1 226 SER n 1 227 TRP n 1 228 GLY n 1 229 GLU n 1 230 GLY n 1 231 CYS n 1 232 ASP n 1 233 ARG n 1 234 ASP n 1 235 GLY n 1 236 LYS n 1 237 TYR n 1 238 GLY n 1 239 PHE n 1 240 TYR n 1 241 THR n 1 242 HIS n 1 243 VAL n 1 244 PHE n 1 245 ARG n 1 246 LEU n 1 247 LYS n 1 248 LYS n 1 249 TRP n 1 250 ILE n 1 251 GLN n 1 252 LYS n 1 253 VAL n 1 254 ILE n 1 255 ASP n 1 256 GLN n 1 257 PHE n 2 1 ASP n 2 2 PHE n 2 3 GLU n 2 4 GLU n 2 5 ILE n 2 6 PRO n 2 7 GLU n 2 8 GLU n 2 9 TYR n 2 10 LEU n 2 11 GLN n 3 1 ALA n 3 2 ASP n 3 3 CYS n 3 4 GLY n 3 5 LEU n 3 6 ARG n 3 7 PRO n 3 8 LEU n 3 9 PHE n 3 10 GLU n 3 11 LYS n 3 12 LYS n 3 13 SER n 3 14 LEU n 3 15 GLU n 3 16 ASP n 3 17 LYS n 3 18 THR n 3 19 GLU n 3 20 ARG n 3 21 GLU n 3 22 LEU n 3 23 LEU n 3 24 GLU n 3 25 SER n 3 26 TYR n 3 27 ILE n 3 28 ASP n # loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_alt_source_flag _entity_src_nat.pdbx_beg_seq_num _entity_src_nat.pdbx_end_seq_num _entity_src_nat.common_name _entity_src_nat.pdbx_organism_scientific _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.genus _entity_src_nat.species _entity_src_nat.strain _entity_src_nat.tissue _entity_src_nat.tissue_fraction _entity_src_nat.pdbx_secretion _entity_src_nat.pdbx_fragment _entity_src_nat.pdbx_variant _entity_src_nat.pdbx_cell_line _entity_src_nat.pdbx_atcc _entity_src_nat.pdbx_cellular_location _entity_src_nat.pdbx_organ _entity_src_nat.pdbx_organelle _entity_src_nat.pdbx_cell _entity_src_nat.pdbx_plasmid_name _entity_src_nat.pdbx_plasmid_details _entity_src_nat.details 1 1 sample ? ? HUMAN 'HOMO SAPIENS' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample ? ? 'MEDICINAL LEECH' 'HIRUDO MEDICINALIS' 6421 ? ? ? ? ? ? ? ? ? ? ? 'SALIVARY GLAND' ? ? ? ? ? 3 1 sample ? ? HUMAN 'HOMO SAPIENS' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform 1 UNP THRB_HUMAN 1 ? ? P00734 ? 2 UNP HIRV1_HIRME 2 ? ? P01050 ? 3 UNP THRB_HUMAN 3 ? ? P00734 ? # 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 4AX9 H 1 ? 257 ? P00734 364 ? 620 ? 16 245 2 2 4AX9 I 1 ? 11 ? P01050 55 ? 65 ? 1 11 3 3 4AX9 L 1 A 28 ? P00734 334 ? 361 ? 1 15 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 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 N5N non-polymer . ;2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclopropyl-amino]ethanoic acid ; 'NAPSAGATRAN; Ro-46-6240' 'C26 H34 N6 O6 S' 558.650 NA non-polymer . 'SODIUM ION' ? 'Na 1' 22.990 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4AX9 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.87 _exptl_crystal.density_percent_sol 57 _exptl_crystal.description ;SOME DATA PROCESSING INFORMATION HAS BEEN LOST. A SECOND DATA COLLECTION RUN WAS MERGED TO GIVE GOOD COMPLETENESS. CRYSTALS GROWN, SOAKED AND DATA COLLECTED BY S. SPINELLI AND C.CAMBILLAU UNDER CONTRACT. ; # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 1993-10-29 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'NI FILTER' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type ? _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength 1.5418 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4AX9 _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 50.00 _reflns.d_resolution_high 1.91 _reflns.number_obs 25336 _reflns.number_all ? _reflns.percent_possible_obs 71.0 _reflns.pdbx_Rmerge_I_obs 0.06 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 2.15 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.91 _reflns_shell.d_res_low 2.02 _reflns_shell.percent_possible_all 60.2 _reflns_shell.Rmerge_I_obs 0.23 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy 1.09 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4AX9 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 25336 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F . _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 19.87 _refine.ls_d_res_high 1.90 _refine.ls_percent_reflns_obs 93.41 _refine.ls_R_factor_obs 0.16265 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.16090 _refine.ls_R_factor_R_free 0.19609 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 1353 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.966 _refine.correlation_coeff_Fo_to_Fc_free 0.945 _refine.B_iso_mean 23.367 _refine.aniso_B[1][1] 0.19 _refine.aniso_B[2][2] -0.43 _refine.aniso_B[3][3] 0.14 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.23 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS IN REFMAC, BUT NOT OUTPUT.' _refine.pdbx_starting_model 'IN HOUSE STRUCTURES' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.135 _refine.pdbx_overall_ESU_R_Free 0.125 _refine.overall_SU_ML 0.079 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 2.710 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2341 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 55 _refine_hist.number_atoms_solvent 217 _refine_hist.number_atoms_total 2613 _refine_hist.d_res_high 1.90 _refine_hist.d_res_low 19.87 # 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 r_bond_refined_d 0.011 0.019 ? 2493 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.490 1.988 ? 3377 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.111 5.000 ? 291 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 33.065 23.559 ? 118 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 12.907 15.000 ? 436 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 14.272 15.000 ? 20 'X-RAY DIFFRACTION' ? r_chiral_restr 0.100 0.200 ? 349 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.007 0.021 ? 1907 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.901 _refine_ls_shell.d_res_low 1.950 _refine_ls_shell.number_reflns_R_work 1135 _refine_ls_shell.R_factor_R_work 0.228 _refine_ls_shell.percent_reflns_obs 55.97 _refine_ls_shell.R_factor_R_free 0.244 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 60 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? # _struct.entry_id 4AX9 _struct.title 'Human thrombin complexed with Napsagatran, RO0466240' _struct.pdbx_descriptor 'PROTHROMBIN (E.C.3.4.21.5), HIRUDIN VARIANT-1' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4AX9 _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR' _struct_keywords.text 'HYDROLASE-HYDROLASE INHIBITOR COMPLEX, 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 4 ? F N N 5 ? G N N 6 ? H N N 7 ? I N N 7 ? J N N 7 ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ALA A 41 ? CYS A 44 ? ALA H 55 CYS H 58 5 ? 4 HELX_P HELX_P2 2 PRO A 48 B ASP A 51 E PRO H 60 ASP H 60 5 ? 4 HELX_P HELX_P3 3 THR A 55 I ASN A 57 ? THR H 60 ASN H 62 5 ? 3 HELX_P HELX_P4 4 ASP A 122 ? LEU A 130 ? ASP H 125 LEU H 130 1 ? 9 HELX_P HELX_P5 5 GLU A 169 ? SER A 176 ? GLU H 164 SER H 171 1 ? 8 HELX_P HELX_P6 6 LYS A 191 ? GLY A 195 C LYS H 185 GLY H 186 5 ? 5 HELX_P HELX_P7 7 LEU A 246 ? PHE A 257 ? LEU H 234 PHE H 245 1 ? 12 HELX_P HELX_P8 8 PRO B 6 ? LEU B 10 ? PRO I 6 LEU I 10 5 ? 5 HELX_P HELX_P9 9 PHE C 9 ? SER C 13 ? PHE L 7 SER L 11 5 ? 5 HELX_P HELX_P10 10 THR C 18 B TYR C 26 J THR L 14 TYR L 14 1 ? 9 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 28 SG ? ? ? 1_555 A CYS 44 SG ? ? H CYS 42 H CYS 58 1_555 ? ? ? ? ? ? ? 2.004 ? disulf2 disulf ? ? A CYS 119 SG ? ? ? 1_555 C CYS 3 SG ? ? H CYS 122 L CYS 1 1_555 ? ? ? ? ? ? ? 2.042 ? disulf3 disulf ? ? A CYS 173 SG ? ? ? 1_555 A CYS 187 SG ? ? H CYS 168 H CYS 182 1_555 ? ? ? ? ? ? ? 1.962 ? disulf4 disulf ? ? A CYS 201 SG ? ? ? 1_555 A CYS 231 SG ? ? H CYS 191 H CYS 220 1_555 ? ? ? ? ? ? ? 2.018 ? covale1 covale ? ? A ASN 53 ND2 ? G ? 1_555 G NAG . C1 ? ? H ASN 60 H NAG 1247 1_555 ? ? ? ? ? ? ? 1.446 ? metalc1 metalc ? ? D NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 1244 H HOH 2145 1_555 ? ? ? ? ? ? ? 2.230 ? metalc2 metalc ? ? D NA . NA ? ? ? 1_555 A PHE 215 O ? A H NA 1244 H PHE 204 4_546 ? ? ? ? ? ? ? 2.489 ? metalc3 metalc ? ? D NA . NA ? ? ? 1_555 A LYS 174 O ? ? H NA 1244 H LYS 169 1_555 ? ? ? ? ? ? ? 2.548 ? metalc4 metalc ? ? D NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 1244 H HOH 2141 1_555 ? ? ? ? ? ? ? 2.749 ? metalc5 metalc ? ? D NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 1244 H HOH 2142 1_555 ? ? ? ? ? ? ? 2.475 ? metalc6 metalc ? ? D NA . NA ? ? ? 1_555 A THR 177 O ? ? H NA 1244 H THR 172 1_555 ? ? ? ? ? ? ? 2.377 ? metalc7 metalc ? ? E NA . NA ? ? ? 1_555 A ARG 233 O ? A H NA 1245 H ARG 221 1_555 ? ? ? ? ? ? ? 2.357 ? metalc8 metalc ? ? E NA . NA ? ? ? 1_555 A LYS 236 O ? ? H NA 1245 H LYS 224 1_555 ? ? ? ? ? ? ? 2.340 ? metalc9 metalc ? ? E NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 1245 H HOH 2159 1_555 ? ? ? ? ? ? ? 2.476 ? metalc10 metalc ? ? E NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 1245 H HOH 2166 1_555 ? ? ? ? ? ? ? 2.357 ? metalc11 metalc ? ? E NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 1245 H HOH 2160 1_555 ? ? ? ? ? ? ? 2.710 ? metalc12 metalc ? ? E NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 1245 H HOH 2180 1_555 ? ? ? ? ? ? ? 2.382 ? # 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 A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code A _struct_mon_prot_cis.auth_comp_id SER _struct_mon_prot_cis.auth_seq_id 36 _struct_mon_prot_cis.auth_asym_id H _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 23 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 37 _struct_mon_prot_cis.pdbx_auth_asym_id_2 H _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -5.78 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details HA ? 7 ? HB ? 7 ? HC ? 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 HA 1 2 ? anti-parallel HA 2 3 ? anti-parallel HA 3 4 ? anti-parallel HA 4 5 ? anti-parallel HA 5 6 ? anti-parallel HA 6 7 ? anti-parallel HB 1 2 ? anti-parallel HB 2 3 ? anti-parallel HB 3 4 ? anti-parallel HB 4 5 ? anti-parallel HB 5 6 ? anti-parallel HB 6 7 ? anti-parallel HC 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 HA 1 SER A 5 ? ASP A 6 ? SER H 20 ASP H 21 HA 2 GLN A 161 ? PRO A 166 ? GLN H 156 PRO H 161 HA 3 LYS A 135 ? GLY A 140 ? LYS H 135 GLY H 140 HA 4 PRO A 208 ? LYS A 212 ? PRO H 198 LYS H 202 HA 5 TRP A 219 ? TRP A 227 ? TRP H 207 TRP H 215 HA 6 GLY A 238 ? HIS A 242 ? GLY H 226 HIS H 230 HA 7 MET A 185 ? ALA A 188 ? MET H 180 ALA H 183 HB 1 GLN A 15 ? ARG A 20 ? GLN H 30 ARG H 35 HB 2 GLU A 25 ? LEU A 32 ? GLU H 39 LEU H 46 HB 3 TRP A 37 ? THR A 40 ? TRP H 51 THR H 54 HB 4 ALA A 101 ? LEU A 105 ? ALA H 104 LEU H 108 HB 5 LYS A 77 ? ILE A 86 ? LYS H 81 ILE H 90 HB 6 LEU A 59 ? ILE A 63 ? LEU H 64 ILE H 68 HB 7 GLN A 15 ? ARG A 20 ? GLN H 30 ARG H 35 HC 1 LEU A 46 ? TYR A 47 A LEU H 60 TYR H 60 HC 2 LYS A 52 F ASN A 53 G LYS H 60 ASN H 60 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id HA 1 2 N SER A 5 ? N SER H 20 O VAL A 162 ? O VAL H 157 HA 2 3 N LEU A 165 ? N LEU H 160 O GLY A 136 ? O GLY H 136 HA 3 4 N THR A 139 ? N THR H 139 O PRO A 208 ? O PRO H 198 HA 4 5 N MET A 211 ? N MET H 201 O TYR A 220 ? O TYR H 208 HA 5 6 N SER A 226 ? N SER H 214 O PHE A 239 ? O PHE H 227 HA 6 7 N TYR A 240 ? N TYR H 228 O PHE A 186 ? O PHE H 181 HB 1 2 N ARG A 20 ? N ARG H 35 O GLU A 25 ? O GLU H 39 HB 2 3 N SER A 31 ? N SER H 45 O LEU A 39 ? O LEU H 53 HB 3 4 N THR A 40 ? N THR H 54 O ALA A 101 ? O ALA H 104 HB 4 5 O LYS A 104 ? O LYS H 107 N GLU A 82 ? N GLU H 86 HB 5 6 N LEU A 81 ? N LEU H 85 O LEU A 59 ? O LEU H 64 HB 6 7 N ARG A 62 ? N ARG H 67 O MET A 17 ? O MET H 32 HC 1 2 N TYR A 47 A N TYR H 60 O LYS A 52 F O LYS H 60 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NA H 1244' AC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NA H 1245' AC3 Software ? ? ? ? 17 'BINDING SITE FOR RESIDUE N5N H 1246' AC4 Software ? ? ? ? 14 'BINDING SITE FOR CHAIN I OF HIRUDIN VARIANT-1' AC5 Software ? ? ? ? 4 'Binding site for Mono-Saccharide NAG H1247 bound to ASN H 60G' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 LYS A 174 ? LYS H 169 . ? 1_555 ? 2 AC1 6 THR A 177 ? THR H 172 . ? 1_555 ? 3 AC1 6 PHE A 215 A PHE H 204 . ? 4_546 ? 4 AC1 6 HOH H . ? HOH H 2141 . ? 1_555 ? 5 AC1 6 HOH H . ? HOH H 2142 . ? 1_555 ? 6 AC1 6 HOH H . ? HOH H 2145 . ? 1_555 ? 7 AC2 6 ARG A 233 A ARG H 221 . ? 1_555 ? 8 AC2 6 LYS A 236 ? LYS H 224 . ? 1_555 ? 9 AC2 6 HOH H . ? HOH H 2159 . ? 1_555 ? 10 AC2 6 HOH H . ? HOH H 2160 . ? 1_555 ? 11 AC2 6 HOH H . ? HOH H 2166 . ? 1_555 ? 12 AC2 6 HOH H . ? HOH H 2180 . ? 1_555 ? 13 AC3 17 HIS A 43 ? HIS H 57 . ? 1_555 ? 14 AC3 17 TYR A 47 A TYR H 60 . ? 1_555 ? 15 AC3 17 TRP A 50 D TRP H 60 . ? 1_555 ? 16 AC3 17 GLU A 94 A GLU H 97 . ? 1_555 ? 17 AC3 17 ASN A 95 ? ASN H 98 . ? 1_555 ? 18 AC3 17 ASP A 199 ? ASP H 189 . ? 1_555 ? 19 AC3 17 ALA A 200 ? ALA H 190 . ? 1_555 ? 20 AC3 17 CYS A 201 ? CYS H 191 . ? 1_555 ? 21 AC3 17 SER A 205 ? SER H 195 . ? 1_555 ? 22 AC3 17 SER A 226 ? SER H 214 . ? 1_555 ? 23 AC3 17 TRP A 227 ? TRP H 215 . ? 1_555 ? 24 AC3 17 GLY A 228 ? GLY H 216 . ? 1_555 ? 25 AC3 17 GLU A 229 ? GLU H 217 . ? 1_555 ? 26 AC3 17 GLY A 230 ? GLY H 219 . ? 1_555 ? 27 AC3 17 GLY A 238 ? GLY H 226 . ? 1_555 ? 28 AC3 17 HOH H . ? HOH H 2177 . ? 1_555 ? 29 AC3 17 HOH H . ? HOH H 2179 . ? 1_555 ? 30 AC4 14 PHE A 19 ? PHE H 34 . ? 1_555 ? 31 AC4 14 GLN A 24 ? GLN H 38 . ? 1_555 ? 32 AC4 14 LEU A 60 ? LEU H 65 . ? 1_555 ? 33 AC4 14 ARG A 68 ? ARG H 73 . ? 1_555 ? 34 AC4 14 THR A 69 ? THR H 74 . ? 1_555 ? 35 AC4 14 ARG A 70 ? ARG H 75 . ? 1_555 ? 36 AC4 14 TYR A 71 ? TYR H 76 . ? 1_555 ? 37 AC4 14 HOH H . ? HOH H 2056 . ? 1_555 ? 38 AC4 14 HOH H . ? HOH H 2061 . ? 2_555 ? 39 AC4 14 HOH H . ? HOH H 2065 . ? 1_555 ? 40 AC4 14 HOH H . ? HOH H 2068 . ? 1_555 ? 41 AC4 14 HOH H . ? HOH H 2076 . ? 1_555 ? 42 AC4 14 HOH I . ? HOH I 2001 . ? 1_555 ? 43 AC4 14 HOH I . ? HOH I 2002 . ? 1_555 ? 44 AC5 4 ASN A 53 G ASN H 60 . ? 1_555 ? 45 AC5 4 HOH H . ? HOH H 2193 . ? 1_555 ? 46 AC5 4 HOH H . ? HOH H 2194 . ? 1_555 ? 47 AC5 4 HOH H . ? HOH H 2195 . ? 1_555 ? # _database_PDB_matrix.entry_id 4AX9 _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 4AX9 _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] 0.002672 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013881 _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] 0.014003 _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 . ILE A 1 1 ? 4.964 -8.472 18.043 1.00 16.03 ? 16 ILE H N 1 ATOM 2 C CA . ILE A 1 1 ? 4.301 -8.163 19.345 1.00 16.93 ? 16 ILE H CA 1 ATOM 3 C C . ILE A 1 1 ? 3.230 -9.219 19.587 1.00 18.08 ? 16 ILE H C 1 ATOM 4 O O . ILE A 1 1 ? 2.408 -9.486 18.701 1.00 17.85 ? 16 ILE H O 1 ATOM 5 C CB . ILE A 1 1 ? 3.625 -6.766 19.319 1.00 16.58 ? 16 ILE H CB 1 ATOM 6 C CG1 . ILE A 1 1 ? 4.644 -5.651 18.968 1.00 16.98 ? 16 ILE H CG1 1 ATOM 7 C CG2 . ILE A 1 1 ? 2.877 -6.491 20.631 1.00 15.77 ? 16 ILE H CG2 1 ATOM 8 C CD1 . ILE A 1 1 ? 5.755 -5.449 19.982 1.00 16.91 ? 16 ILE H CD1 1 ATOM 9 N N . VAL A 1 2 ? 3.240 -9.806 20.779 1.00 19.90 ? 17 VAL H N 1 ATOM 10 C CA . VAL A 1 2 ? 2.259 -10.822 21.154 1.00 21.47 ? 17 VAL H CA 1 ATOM 11 C C . VAL A 1 2 ? 1.207 -10.164 22.029 1.00 20.11 ? 17 VAL H C 1 ATOM 12 O O . VAL A 1 2 ? 1.538 -9.418 22.935 1.00 19.64 ? 17 VAL H O 1 ATOM 13 C CB . VAL A 1 2 ? 2.935 -12.010 21.907 1.00 22.57 ? 17 VAL H CB 1 ATOM 14 C CG1 . VAL A 1 2 ? 1.909 -13.086 22.266 1.00 23.32 ? 17 VAL H CG1 1 ATOM 15 C CG2 . VAL A 1 2 ? 4.084 -12.589 21.085 1.00 21.81 ? 17 VAL H CG2 1 ATOM 16 N N . GLU A 1 3 ? -0.068 -10.423 21.735 1.00 21.29 ? 18 GLU H N 1 ATOM 17 C CA . GLU A 1 3 ? -1.191 -9.873 22.501 1.00 22.74 ? 18 GLU H CA 1 ATOM 18 C C . GLU A 1 3 ? -1.220 -8.344 22.491 1.00 21.37 ? 18 GLU H C 1 ATOM 19 O O . GLU A 1 3 ? -1.561 -7.733 23.493 1.00 22.13 ? 18 GLU H O 1 ATOM 20 C CB . GLU A 1 3 ? -1.195 -10.395 23.953 1.00 24.43 ? 18 GLU H CB 1 ATOM 21 C CG . GLU A 1 3 ? -1.439 -11.899 24.061 1.00 31.65 ? 18 GLU H CG 1 ATOM 22 C CD . GLU A 1 3 ? -2.903 -12.283 23.888 1.00 34.26 ? 18 GLU H CD 1 ATOM 23 O OE1 . GLU A 1 3 ? -3.786 -11.402 23.957 1.00 37.78 ? 18 GLU H OE1 1 ATOM 24 O OE2 . GLU A 1 3 ? -3.171 -13.481 23.684 1.00 41.26 ? 18 GLU H OE2 1 ATOM 25 N N . GLY A 1 4 ? -0.847 -7.732 21.368 1.00 21.02 ? 19 GLY H N 1 ATOM 26 C CA . GLY A 1 4 ? -0.978 -6.280 21.227 1.00 19.99 ? 19 GLY H CA 1 ATOM 27 C C . GLY A 1 4 ? -2.222 -5.954 20.405 1.00 20.69 ? 19 GLY H C 1 ATOM 28 O O . GLY A 1 4 ? -3.118 -6.797 20.255 1.00 19.88 ? 19 GLY H O 1 ATOM 29 N N . SER A 1 5 ? -2.283 -4.739 19.875 1.00 20.42 ? 20 SER H N 1 ATOM 30 C CA . SER A 1 5 ? -3.393 -4.345 18.998 1.00 23.00 ? 20 SER H CA 1 ATOM 31 C C . SER A 1 5 ? -2.818 -3.531 17.860 1.00 22.03 ? 20 SER H C 1 ATOM 32 O O . SER A 1 5 ? -1.624 -3.179 17.897 1.00 21.92 ? 20 SER H O 1 ATOM 33 C CB . SER A 1 5 ? -4.461 -3.568 19.782 1.00 23.49 ? 20 SER H CB 1 ATOM 34 O OG . SER A 1 5 ? -3.968 -2.282 20.119 1.00 26.89 ? 20 SER H OG 1 ATOM 35 N N . ASP A 1 6 ? -3.617 -3.276 16.821 1.00 20.59 ? 21 ASP H N 1 ATOM 36 C CA . ASP A 1 6 ? -3.141 -2.476 15.688 1.00 20.55 ? 21 ASP H CA 1 ATOM 37 C C . ASP A 1 6 ? -2.880 -1.074 16.187 1.00 19.06 ? 21 ASP H C 1 ATOM 38 O O . ASP A 1 6 ? -3.664 -0.532 16.960 1.00 18.43 ? 21 ASP H O 1 ATOM 39 C CB . ASP A 1 6 ? -4.178 -2.373 14.565 1.00 21.16 ? 21 ASP H CB 1 ATOM 40 C CG . ASP A 1 6 ? -4.484 -3.709 13.916 1.00 23.05 ? 21 ASP H CG 1 ATOM 41 O OD1 . ASP A 1 6 ? -3.803 -4.717 14.201 1.00 22.86 ? 21 ASP H OD1 1 ATOM 42 O OD2 . ASP A 1 6 ? -5.425 -3.738 13.111 1.00 23.84 ? 21 ASP H OD2 1 ATOM 43 N N . ALA A 1 7 ? -1.788 -0.488 15.729 1.00 18.96 ? 22 ALA H N 1 ATOM 44 C CA . ALA A 1 7 ? -1.477 0.888 16.040 1.00 17.85 ? 22 ALA H CA 1 ATOM 45 C C . ALA A 1 7 ? -2.434 1.817 15.311 1.00 16.90 ? 22 ALA H C 1 ATOM 46 O O . ALA A 1 7 ? -2.931 1.477 14.255 1.00 17.73 ? 22 ALA H O 1 ATOM 47 C CB . ALA A 1 7 ? -0.054 1.180 15.590 1.00 17.69 ? 22 ALA H CB 1 ATOM 48 N N . GLU A 1 8 ? -2.670 3.008 15.844 1.00 17.41 ? 23 GLU H N 1 ATOM 49 C CA . GLU A 1 8 ? -3.353 4.048 15.071 1.00 17.62 ? 23 GLU H CA 1 ATOM 50 C C . GLU A 1 8 ? -2.366 4.697 14.106 1.00 17.01 ? 23 GLU H C 1 ATOM 51 O O . GLU A 1 8 ? -1.167 4.696 14.344 1.00 15.38 ? 23 GLU H O 1 ATOM 52 C CB . GLU A 1 8 ? -3.928 5.125 15.982 1.00 18.43 ? 23 GLU H CB 1 ATOM 53 C CG . GLU A 1 8 ? -5.000 4.564 16.897 1.00 20.47 ? 23 GLU H CG 1 ATOM 54 C CD . GLU A 1 8 ? -5.353 5.520 18.006 1.00 22.50 ? 23 GLU H CD 1 ATOM 55 O OE1 . GLU A 1 8 ? -5.919 6.575 17.704 1.00 24.05 ? 23 GLU H OE1 1 ATOM 56 O OE2 . GLU A 1 8 ? -5.040 5.222 19.165 1.00 24.93 ? 23 GLU H OE2 1 ATOM 57 N N . ILE A 1 9 ? -2.898 5.280 13.038 1.00 17.15 ? 24 ILE H N 1 ATOM 58 C CA . ILE A 1 9 ? -2.083 6.008 12.079 1.00 17.00 ? 24 ILE H CA 1 ATOM 59 C C . ILE A 1 9 ? -1.355 7.141 12.826 1.00 16.13 ? 24 ILE H C 1 ATOM 60 O O . ILE A 1 9 ? -2.002 7.898 13.539 1.00 15.81 ? 24 ILE H O 1 ATOM 61 C CB . ILE A 1 9 ? -2.970 6.631 10.953 1.00 17.19 ? 24 ILE H CB 1 ATOM 62 C CG1 . ILE A 1 9 ? -3.737 5.557 10.184 1.00 19.64 ? 24 ILE H CG1 1 ATOM 63 C CG2 . ILE A 1 9 ? -2.140 7.477 10.000 1.00 16.63 ? 24 ILE H CG2 1 ATOM 64 C CD1 . ILE A 1 9 ? -2.859 4.551 9.498 1.00 20.38 ? 24 ILE H CD1 1 ATOM 65 N N . GLY A 1 10 ? -0.031 7.230 12.665 1.00 14.53 ? 25 GLY H N 1 ATOM 66 C CA . GLY A 1 10 ? 0.779 8.319 13.244 1.00 13.45 ? 25 GLY H CA 1 ATOM 67 C C . GLY A 1 10 ? 0.995 8.182 14.745 1.00 12.72 ? 25 GLY H C 1 ATOM 68 O O . GLY A 1 10 ? 1.434 9.143 15.413 1.00 12.54 ? 25 GLY H O 1 ATOM 69 N N . MET A 1 11 ? 0.647 7.016 15.294 1.00 12.12 ? 26 MET H N 1 ATOM 70 C CA . MET A 1 11 ? 0.732 6.817 16.750 1.00 12.31 ? 26 MET H CA 1 ATOM 71 C C . MET A 1 11 ? 2.204 6.726 17.234 1.00 11.24 ? 26 MET H C 1 ATOM 72 O O . MET A 1 11 ? 2.514 7.026 18.376 1.00 10.43 ? 26 MET H O 1 ATOM 73 C CB . MET A 1 11 ? 0.024 5.530 17.114 1.00 13.90 ? 26 MET H CB 1 ATOM 74 C CG . MET A 1 11 ? -0.325 5.384 18.583 1.00 17.01 ? 26 MET H CG 1 ATOM 75 S SD . MET A 1 11 ? -0.837 3.666 18.787 1.00 19.29 ? 26 MET H SD 1 ATOM 76 C CE . MET A 1 11 ? -1.749 3.686 20.338 1.00 19.94 ? 26 MET H CE 1 ATOM 77 N N . SER A 1 12 ? 3.086 6.299 16.345 1.00 11.35 ? 27 SER H N 1 ATOM 78 C CA . SER A 1 12 ? 4.483 6.026 16.697 1.00 12.10 ? 27 SER H CA 1 ATOM 79 C C . SER A 1 12 ? 5.350 6.502 15.521 1.00 12.11 ? 27 SER H C 1 ATOM 80 O O . SER A 1 12 ? 5.946 5.707 14.791 1.00 12.48 ? 27 SER H O 1 ATOM 81 C CB . SER A 1 12 ? 4.615 4.520 16.995 1.00 13.89 ? 27 SER H CB 1 ATOM 82 O OG . SER A 1 12 ? 5.923 4.234 17.461 1.00 16.82 ? 27 SER H OG 1 ATOM 83 N N . PRO A 1 13 ? 5.396 7.829 15.303 1.00 11.28 ? 28 PRO H N 1 ATOM 84 C CA . PRO A 1 13 ? 6.009 8.365 14.091 1.00 11.15 ? 28 PRO H CA 1 ATOM 85 C C . PRO A 1 13 ? 7.554 8.304 14.119 1.00 11.10 ? 28 PRO H C 1 ATOM 86 O O . PRO A 1 13 ? 8.180 8.590 13.122 1.00 10.91 ? 28 PRO H O 1 ATOM 87 C CB . PRO A 1 13 ? 5.548 9.846 14.097 1.00 11.03 ? 28 PRO H CB 1 ATOM 88 C CG . PRO A 1 13 ? 5.402 10.160 15.563 1.00 10.91 ? 28 PRO H CG 1 ATOM 89 C CD . PRO A 1 13 ? 4.839 8.892 16.165 1.00 10.82 ? 28 PRO H CD 1 ATOM 90 N N . TRP A 1 14 ? 8.135 7.900 15.247 1.00 11.12 ? 29 TRP H N 1 ATOM 91 C CA . TRP A 1 14 ? 9.580 7.608 15.338 1.00 11.01 ? 29 TRP H CA 1 ATOM 92 C C . TRP A 1 14 ? 9.918 6.137 15.017 1.00 11.16 ? 29 TRP H C 1 ATOM 93 O O . TRP A 1 14 ? 11.098 5.767 15.024 1.00 11.37 ? 29 TRP H O 1 ATOM 94 C CB . TRP A 1 14 ? 10.086 7.963 16.732 1.00 11.00 ? 29 TRP H CB 1 ATOM 95 C CG . TRP A 1 14 ? 9.065 7.605 17.780 1.00 11.73 ? 29 TRP H CG 1 ATOM 96 C CD1 . TRP A 1 14 ? 8.802 6.365 18.280 1.00 11.85 ? 29 TRP H CD1 1 ATOM 97 C CD2 . TRP A 1 14 ? 8.135 8.504 18.416 1.00 11.94 ? 29 TRP H CD2 1 ATOM 98 N NE1 . TRP A 1 14 ? 7.754 6.433 19.187 1.00 12.81 ? 29 TRP H NE1 1 ATOM 99 C CE2 . TRP A 1 14 ? 7.318 7.727 19.275 1.00 12.49 ? 29 TRP H CE2 1 ATOM 100 C CE3 . TRP A 1 14 ? 7.890 9.871 18.306 1.00 12.80 ? 29 TRP H CE3 1 ATOM 101 C CZ2 . TRP A 1 14 ? 6.292 8.290 20.071 1.00 12.76 ? 29 TRP H CZ2 1 ATOM 102 C CZ3 . TRP A 1 14 ? 6.864 10.444 19.110 1.00 12.64 ? 29 TRP H CZ3 1 ATOM 103 C CH2 . TRP A 1 14 ? 6.094 9.644 19.975 1.00 12.54 ? 29 TRP H CH2 1 ATOM 104 N N . GLN A 1 15 ? 8.910 5.303 14.747 1.00 11.67 ? 30 GLN H N 1 ATOM 105 C CA . GLN A 1 15 ? 9.160 3.889 14.480 1.00 12.09 ? 30 GLN H CA 1 ATOM 106 C C . GLN A 1 15 ? 9.882 3.740 13.145 1.00 12.41 ? 30 GLN H C 1 ATOM 107 O O . GLN A 1 15 ? 9.549 4.392 12.150 1.00 11.83 ? 30 GLN H O 1 ATOM 108 C CB . GLN A 1 15 ? 7.871 3.078 14.468 1.00 13.86 ? 30 GLN H CB 1 ATOM 109 C CG . GLN A 1 15 ? 8.000 1.567 14.207 1.00 15.03 ? 30 GLN H CG 1 ATOM 110 C CD . GLN A 1 15 ? 8.667 0.774 15.310 1.00 17.57 ? 30 GLN H CD 1 ATOM 111 O OE1 . GLN A 1 15 ? 9.503 -0.109 15.032 1.00 22.94 ? 30 GLN H OE1 1 ATOM 112 N NE2 . GLN A 1 15 ? 8.310 1.046 16.535 1.00 16.10 ? 30 GLN H NE2 1 ATOM 113 N N . VAL A 1 16 ? 10.892 2.895 13.150 1.00 11.85 ? 31 VAL H N 1 ATOM 114 C CA . VAL A 1 16 ? 11.727 2.708 11.972 1.00 12.04 ? 31 VAL H CA 1 ATOM 115 C C . VAL A 1 16 ? 11.797 1.219 11.707 1.00 12.65 ? 31 VAL H C 1 ATOM 116 O O . VAL A 1 16 ? 11.884 0.408 12.629 1.00 11.95 ? 31 VAL H O 1 ATOM 117 C CB . VAL A 1 16 ? 13.145 3.272 12.185 1.00 12.12 ? 31 VAL H CB 1 ATOM 118 C CG1 . VAL A 1 16 ? 14.066 2.857 11.027 1.00 11.70 ? 31 VAL H CG1 1 ATOM 119 C CG2 . VAL A 1 16 ? 13.107 4.786 12.391 1.00 11.82 ? 31 VAL H CG2 1 ATOM 120 N N . MET A 1 17 ? 11.746 0.842 10.441 1.00 13.06 ? 32 MET H N 1 ATOM 121 C CA . MET A 1 17 ? 11.889 -0.579 10.113 1.00 14.43 ? 32 MET H CA 1 ATOM 122 C C . MET A 1 17 ? 13.300 -0.773 9.521 1.00 14.75 ? 32 MET H C 1 ATOM 123 O O . MET A 1 17 ? 13.688 -0.033 8.628 1.00 13.90 ? 32 MET H O 1 ATOM 124 C CB . MET A 1 17 ? 10.816 -0.995 9.082 1.00 14.74 ? 32 MET H CB 1 ATOM 125 C CG . MET A 1 17 ? 11.002 -2.419 8.533 1.00 15.89 ? 32 MET H CG 1 ATOM 126 S SD . MET A 1 17 ? 9.812 -2.884 7.243 1.00 18.56 ? 32 MET H SD 1 ATOM 127 C CE . MET A 1 17 ? 8.253 -2.932 8.135 1.00 16.56 ? 32 MET H CE 1 ATOM 128 N N A LEU A 1 18 ? 14.058 -1.726 10.067 0.60 16.09 ? 33 LEU H N 1 ATOM 129 N N B LEU A 1 18 ? 14.034 -1.750 10.051 0.40 15.00 ? 33 LEU H N 1 ATOM 130 C CA A LEU A 1 18 ? 15.332 -2.169 9.473 0.60 17.78 ? 33 LEU H CA 1 ATOM 131 C CA B LEU A 1 18 ? 15.320 -2.181 9.494 0.40 15.65 ? 33 LEU H CA 1 ATOM 132 C C A LEU A 1 18 ? 15.045 -3.286 8.491 0.60 17.45 ? 33 LEU H C 1 ATOM 133 C C B LEU A 1 18 ? 15.059 -3.298 8.498 0.40 16.31 ? 33 LEU H C 1 ATOM 134 O O A LEU A 1 18 ? 14.481 -4.330 8.849 0.60 17.51 ? 33 LEU H O 1 ATOM 135 O O B LEU A 1 18 ? 14.521 -4.351 8.855 0.40 16.51 ? 33 LEU H O 1 ATOM 136 C CB A LEU A 1 18 ? 16.342 -2.655 10.536 0.60 18.84 ? 33 LEU H CB 1 ATOM 137 C CB B LEU A 1 18 ? 16.263 -2.662 10.608 0.40 14.82 ? 33 LEU H CB 1 ATOM 138 C CG A LEU A 1 18 ? 17.636 -1.872 10.821 0.60 21.83 ? 33 LEU H CG 1 ATOM 139 C CG B LEU A 1 18 ? 17.190 -1.593 11.195 0.40 14.80 ? 33 LEU H CG 1 ATOM 140 C CD1 A LEU A 1 18 ? 18.578 -2.668 11.719 0.60 21.14 ? 33 LEU H CD1 1 ATOM 141 C CD1 B LEU A 1 18 ? 16.534 -0.230 11.148 0.40 14.54 ? 33 LEU H CD1 1 ATOM 142 C CD2 A LEU A 1 18 ? 18.376 -1.500 9.542 0.60 22.00 ? 33 LEU H CD2 1 ATOM 143 C CD2 B LEU A 1 18 ? 17.697 -1.920 12.596 0.40 14.01 ? 33 LEU H CD2 1 ATOM 144 N N . PHE A 1 19 ? 15.433 -3.058 7.247 1.00 17.89 ? 34 PHE H N 1 ATOM 145 C CA . PHE A 1 19 ? 14.993 -3.904 6.149 1.00 19.50 ? 34 PHE H CA 1 ATOM 146 C C . PHE A 1 19 ? 16.233 -4.336 5.370 1.00 21.52 ? 34 PHE H C 1 ATOM 147 O O . PHE A 1 19 ? 17.047 -3.501 4.975 1.00 20.93 ? 34 PHE H O 1 ATOM 148 C CB . PHE A 1 19 ? 14.045 -3.083 5.287 1.00 19.85 ? 34 PHE H CB 1 ATOM 149 C CG . PHE A 1 19 ? 13.308 -3.870 4.250 1.00 20.85 ? 34 PHE H CG 1 ATOM 150 C CD1 . PHE A 1 19 ? 12.281 -4.736 4.618 1.00 21.22 ? 34 PHE H CD1 1 ATOM 151 C CD2 . PHE A 1 19 ? 13.618 -3.713 2.900 1.00 21.39 ? 34 PHE H CD2 1 ATOM 152 C CE1 . PHE A 1 19 ? 11.582 -5.445 3.667 1.00 22.03 ? 34 PHE H CE1 1 ATOM 153 C CE2 . PHE A 1 19 ? 12.912 -4.424 1.932 1.00 22.48 ? 34 PHE H CE2 1 ATOM 154 C CZ . PHE A 1 19 ? 11.899 -5.292 2.322 1.00 22.85 ? 34 PHE H CZ 1 ATOM 155 N N . ARG A 1 20 ? 16.394 -5.652 5.226 1.00 23.88 ? 35 ARG H N 1 ATOM 156 C CA . ARG A 1 20 ? 17.523 -6.239 4.512 1.00 26.13 ? 35 ARG H CA 1 ATOM 157 C C . ARG A 1 20 ? 17.301 -6.063 3.006 1.00 27.79 ? 35 ARG H C 1 ATOM 158 O O . ARG A 1 20 ? 16.176 -6.223 2.510 1.00 26.74 ? 35 ARG H O 1 ATOM 159 C CB . ARG A 1 20 ? 17.632 -7.721 4.856 1.00 27.03 ? 35 ARG H CB 1 ATOM 160 C CG . ARG A 1 20 ? 18.973 -8.344 4.527 1.00 30.64 ? 35 ARG H CG 1 ATOM 161 C CD . ARG A 1 20 ? 18.906 -9.844 4.763 1.00 34.18 ? 35 ARG H CD 1 ATOM 162 N NE . ARG A 1 20 ? 20.185 -10.484 4.477 1.00 37.90 ? 35 ARG H NE 1 ATOM 163 C CZ . ARG A 1 20 ? 20.528 -11.692 4.911 1.00 39.29 ? 35 ARG H CZ 1 ATOM 164 N NH1 . ARG A 1 20 ? 19.694 -12.403 5.662 1.00 39.01 ? 35 ARG H NH1 1 ATOM 165 N NH2 . ARG A 1 20 ? 21.711 -12.184 4.586 1.00 42.10 ? 35 ARG H NH2 1 ATOM 166 N N . LYS A 1 21 ? 18.367 -5.703 2.294 1.00 31.14 ? 36 LYS H N 1 ATOM 167 C CA . LYS A 1 21 ? 18.288 -5.505 0.844 1.00 35.61 ? 36 LYS H CA 1 ATOM 168 C C . LYS A 1 21 ? 18.051 -6.813 0.087 1.00 37.58 ? 36 LYS H C 1 ATOM 169 O O . LYS A 1 21 ? 17.121 -6.904 -0.713 1.00 37.71 ? 36 LYS H O 1 ATOM 170 C CB . LYS A 1 21 ? 19.535 -4.817 0.305 1.00 34.55 ? 36 LYS H CB 1 ATOM 171 C CG . LYS A 1 21 ? 19.530 -3.307 0.408 1.00 35.16 ? 36 LYS H CG 1 ATOM 172 C CD . LYS A 1 21 ? 20.808 -2.790 -0.231 1.00 33.91 ? 36 LYS H CD 1 ATOM 173 C CE . LYS A 1 21 ? 21.057 -1.341 0.110 1.00 35.95 ? 36 LYS H CE 1 ATOM 174 N NZ . LYS A 1 21 ? 22.432 -0.973 -0.305 1.00 35.64 ? 36 LYS H NZ 1 ATOM 175 N N . SER A 1 22 A 18.874 -7.826 0.350 1.00 39.57 ? 36 SER H N 1 ATOM 176 C CA . SER A 1 22 A 18.739 -9.104 -0.357 1.00 40.20 ? 36 SER H CA 1 ATOM 177 C C . SER A 1 22 A 19.124 -10.294 0.505 1.00 37.44 ? 36 SER H C 1 ATOM 178 O O . SER A 1 22 A 20.253 -10.357 0.972 1.00 38.41 ? 36 SER H O 1 ATOM 179 C CB . SER A 1 22 A 19.587 -9.094 -1.627 1.00 44.12 ? 36 SER H CB 1 ATOM 180 O OG . SER A 1 22 A 19.292 -10.234 -2.411 1.00 50.11 ? 36 SER H OG 1 ATOM 181 N N . PRO A 1 23 ? 18.182 -11.230 0.742 1.00 36.69 ? 37 PRO H N 1 ATOM 182 C CA . PRO A 1 23 ? 16.773 -11.170 0.351 1.00 37.97 ? 37 PRO H CA 1 ATOM 183 C C . PRO A 1 23 ? 16.041 -10.051 1.090 1.00 39.73 ? 37 PRO H C 1 ATOM 184 O O . PRO A 1 23 ? 16.492 -9.600 2.150 1.00 36.83 ? 37 PRO H O 1 ATOM 185 C CB . PRO A 1 23 ? 16.213 -12.526 0.806 1.00 38.21 ? 37 PRO H CB 1 ATOM 186 C CG . PRO A 1 23 ? 17.154 -13.002 1.854 1.00 39.32 ? 37 PRO H CG 1 ATOM 187 C CD . PRO A 1 23 ? 18.501 -12.488 1.438 1.00 38.95 ? 37 PRO H CD 1 ATOM 188 N N . GLN A 1 24 ? 14.919 -9.616 0.530 1.00 40.14 ? 38 GLN H N 1 ATOM 189 C CA . GLN A 1 24 ? 14.116 -8.576 1.147 1.00 40.46 ? 38 GLN H CA 1 ATOM 190 C C . GLN A 1 24 ? 13.428 -9.141 2.379 1.00 38.83 ? 38 GLN H C 1 ATOM 191 O O . GLN A 1 24 ? 12.544 -9.991 2.280 1.00 41.24 ? 38 GLN H O 1 ATOM 192 C CB . GLN A 1 24 ? 13.109 -7.993 0.149 1.00 44.16 ? 38 GLN H CB 1 ATOM 193 C CG . GLN A 1 24 ? 13.781 -7.286 -1.021 1.00 50.19 ? 38 GLN H CG 1 ATOM 194 C CD . GLN A 1 24 ? 12.914 -6.250 -1.718 1.00 57.57 ? 38 GLN H CD 1 ATOM 195 O OE1 . GLN A 1 24 ? 13.424 -5.455 -2.510 1.00 63.06 ? 38 GLN H OE1 1 ATOM 196 N NE2 . GLN A 1 24 ? 11.606 -6.244 -1.427 1.00 59.60 ? 38 GLN H NE2 1 ATOM 197 N N . GLU A 1 25 ? 13.862 -8.688 3.551 1.00 35.57 ? 39 GLU H N 1 ATOM 198 C CA . GLU A 1 25 ? 13.217 -9.100 4.788 1.00 31.77 ? 39 GLU H CA 1 ATOM 199 C C . GLU A 1 25 ? 13.331 -8.068 5.920 1.00 28.16 ? 39 GLU H C 1 ATOM 200 O O . GLU A 1 25 ? 14.231 -7.225 5.932 1.00 24.12 ? 39 GLU H O 1 ATOM 201 C CB . GLU A 1 25 ? 13.714 -10.475 5.243 1.00 34.86 ? 39 GLU H CB 1 ATOM 202 C CG . GLU A 1 25 ? 15.206 -10.574 5.456 1.00 38.95 ? 39 GLU H CG 1 ATOM 203 C CD . GLU A 1 25 ? 15.638 -11.953 5.925 1.00 41.24 ? 39 GLU H CD 1 ATOM 204 O OE1 . GLU A 1 25 ? 14.847 -12.914 5.798 1.00 42.65 ? 39 GLU H OE1 1 ATOM 205 O OE2 . GLU A 1 25 ? 16.781 -12.071 6.417 1.00 43.19 ? 39 GLU H OE2 1 ATOM 206 N N . LEU A 1 26 ? 12.371 -8.137 6.835 1.00 26.06 ? 40 LEU H N 1 ATOM 207 C CA . LEU A 1 26 ? 12.361 -7.322 8.045 1.00 24.07 ? 40 LEU H CA 1 ATOM 208 C C . LEU A 1 26 ? 13.461 -7.865 8.928 1.00 22.75 ? 40 LEU H C 1 ATOM 209 O O . LEU A 1 26 ? 13.454 -9.044 9.265 1.00 23.14 ? 40 LEU H O 1 ATOM 210 C CB . LEU A 1 26 ? 11.025 -7.475 8.772 1.00 25.19 ? 40 LEU H CB 1 ATOM 211 C CG . LEU A 1 26 ? 10.941 -6.986 10.230 1.00 27.11 ? 40 LEU H CG 1 ATOM 212 C CD1 . LEU A 1 26 ? 10.938 -5.473 10.279 1.00 27.68 ? 40 LEU H CD1 1 ATOM 213 C CD2 . LEU A 1 26 ? 9.704 -7.541 10.923 1.00 27.94 ? 40 LEU H CD2 1 ATOM 214 N N . LEU A 1 27 ? 14.399 -7.005 9.310 1.00 20.72 ? 41 LEU H N 1 ATOM 215 C CA . LEU A 1 27 ? 15.471 -7.424 10.212 1.00 20.14 ? 41 LEU H CA 1 ATOM 216 C C . LEU A 1 27 ? 15.139 -7.110 11.665 1.00 18.79 ? 41 LEU H C 1 ATOM 217 O O . LEU A 1 27 ? 15.373 -7.938 12.531 1.00 19.97 ? 41 LEU H O 1 ATOM 218 C CB . LEU A 1 27 ? 16.783 -6.747 9.833 1.00 21.75 ? 41 LEU H CB 1 ATOM 219 C CG . LEU A 1 27 ? 17.426 -7.227 8.530 1.00 24.94 ? 41 LEU H CG 1 ATOM 220 C CD1 . LEU A 1 27 ? 18.584 -6.296 8.223 1.00 25.84 ? 41 LEU H CD1 1 ATOM 221 C CD2 . LEU A 1 27 ? 17.903 -8.689 8.550 1.00 24.78 ? 41 LEU H CD2 1 ATOM 222 N N . CYS A 1 28 ? 14.569 -5.930 11.931 1.00 16.18 ? 42 CYS H N 1 ATOM 223 C CA . CYS A 1 28 ? 14.481 -5.415 13.309 1.00 14.26 ? 42 CYS H CA 1 ATOM 224 C C . CYS A 1 28 ? 13.708 -4.101 13.291 1.00 12.95 ? 42 CYS H C 1 ATOM 225 O O . CYS A 1 28 ? 13.541 -3.504 12.248 1.00 12.43 ? 42 CYS H O 1 ATOM 226 C CB . CYS A 1 28 ? 15.894 -5.120 13.834 1.00 13.69 ? 42 CYS H CB 1 ATOM 227 S SG . CYS A 1 28 ? 16.732 -6.484 14.727 1.00 14.30 ? 42 CYS H SG 1 ATOM 228 N N . GLY A 1 29 ? 13.264 -3.657 14.467 1.00 11.73 ? 43 GLY H N 1 ATOM 229 C CA . GLY A 1 29 ? 12.793 -2.281 14.653 1.00 10.78 ? 43 GLY H CA 1 ATOM 230 C C . GLY A 1 29 ? 13.986 -1.380 14.956 1.00 10.61 ? 43 GLY H C 1 ATOM 231 O O . GLY A 1 29 ? 15.136 -1.831 15.140 1.00 10.83 ? 43 GLY H O 1 ATOM 232 N N . ALA A 1 30 ? 13.697 -0.093 15.048 1.00 10.16 ? 44 ALA H N 1 ATOM 233 C CA . ALA A 1 30 ? 14.676 0.939 15.306 1.00 9.71 ? 44 ALA H CA 1 ATOM 234 C C . ALA A 1 30 ? 13.845 2.192 15.599 1.00 9.81 ? 44 ALA H C 1 ATOM 235 O O . ALA A 1 30 ? 12.620 2.139 15.503 1.00 10.16 ? 44 ALA H O 1 ATOM 236 C CB . ALA A 1 30 ? 15.570 1.171 14.073 1.00 9.17 ? 44 ALA H CB 1 ATOM 237 N N . SER A 1 31 ? 14.499 3.309 15.934 1.00 10.70 ? 45 SER H N 1 ATOM 238 C CA . SER A 1 31 ? 13.766 4.547 16.184 1.00 10.97 ? 45 SER H CA 1 ATOM 239 C C . SER A 1 31 ? 14.487 5.764 15.653 1.00 11.79 ? 45 SER H C 1 ATOM 240 O O . SER A 1 31 ? 15.730 5.798 15.592 1.00 11.95 ? 45 SER H O 1 ATOM 241 C CB . SER A 1 31 ? 13.484 4.726 17.692 1.00 10.82 ? 45 SER H CB 1 ATOM 242 O OG . SER A 1 31 ? 14.720 4.868 18.378 1.00 13.19 ? 45 SER H OG 1 ATOM 243 N N . LEU A 1 32 ? 13.701 6.787 15.321 1.00 11.60 ? 46 LEU H N 1 ATOM 244 C CA . LEU A 1 32 ? 14.236 8.004 14.763 1.00 12.70 ? 46 LEU H CA 1 ATOM 245 C C . LEU A 1 32 ? 14.441 8.977 15.889 1.00 12.71 ? 46 LEU H C 1 ATOM 246 O O . LEU A 1 32 ? 13.470 9.367 16.533 1.00 11.65 ? 46 LEU H O 1 ATOM 247 C CB . LEU A 1 32 ? 13.242 8.595 13.749 1.00 13.33 ? 46 LEU H CB 1 ATOM 248 C CG . LEU A 1 32 ? 13.724 9.809 12.934 1.00 14.44 ? 46 LEU H CG 1 ATOM 249 C CD1 . LEU A 1 32 ? 14.840 9.375 12.004 1.00 14.20 ? 46 LEU H CD1 1 ATOM 250 C CD2 . LEU A 1 32 ? 12.582 10.491 12.151 1.00 14.62 ? 46 LEU H CD2 1 ATOM 251 N N . ILE A 1 33 ? 15.692 9.395 16.126 1.00 12.75 ? 47 ILE H N 1 ATOM 252 C CA . ILE A 1 33 ? 15.975 10.353 17.214 1.00 14.65 ? 47 ILE H CA 1 ATOM 253 C C . ILE A 1 33 ? 16.344 11.782 16.727 1.00 15.24 ? 47 ILE H C 1 ATOM 254 O O . ILE A 1 33 ? 16.449 12.688 17.533 1.00 13.55 ? 47 ILE H O 1 ATOM 255 C CB . ILE A 1 33 ? 17.040 9.841 18.217 1.00 15.89 ? 47 ILE H CB 1 ATOM 256 C CG1 . ILE A 1 33 ? 18.375 9.608 17.494 1.00 16.56 ? 47 ILE H CG1 1 ATOM 257 C CG2 . ILE A 1 33 ? 16.542 8.572 18.937 1.00 16.20 ? 47 ILE H CG2 1 ATOM 258 C CD1 . ILE A 1 33 ? 19.508 9.162 18.429 1.00 17.27 ? 47 ILE H CD1 1 ATOM 259 N N . SER A 1 34 ? 16.559 11.966 15.416 1.00 16.38 ? 48 SER H N 1 ATOM 260 C CA . SER A 1 34 ? 16.742 13.318 14.846 1.00 17.90 ? 48 SER H CA 1 ATOM 261 C C . SER A 1 34 ? 16.558 13.148 13.360 1.00 19.98 ? 48 SER H C 1 ATOM 262 O O . SER A 1 34 ? 16.219 12.045 12.922 1.00 20.06 ? 48 SER H O 1 ATOM 263 C CB . SER A 1 34 ? 18.137 13.878 15.157 1.00 18.83 ? 48 SER H CB 1 ATOM 264 O OG . SER A 1 34 ? 19.123 13.231 14.359 1.00 19.42 ? 48 SER H OG 1 ATOM 265 N N . ASP A 1 35 ? 16.816 14.197 12.571 1.00 20.53 ? 49 ASP H N 1 ATOM 266 C CA . ASP A 1 35 ? 16.647 14.084 11.127 1.00 23.25 ? 49 ASP H CA 1 ATOM 267 C C . ASP A 1 35 ? 17.649 13.158 10.432 1.00 22.74 ? 49 ASP H C 1 ATOM 268 O O . ASP A 1 35 ? 17.426 12.763 9.287 1.00 23.14 ? 49 ASP H O 1 ATOM 269 C CB . ASP A 1 35 ? 16.599 15.464 10.445 1.00 25.02 ? 49 ASP H CB 1 ATOM 270 C CG . ASP A 1 35 ? 17.918 16.204 10.495 1.00 27.80 ? 49 ASP H CG 1 ATOM 271 O OD1 . ASP A 1 35 ? 18.876 15.773 11.158 1.00 28.52 ? 49 ASP H OD1 1 ATOM 272 O OD2 . ASP A 1 35 ? 17.994 17.264 9.852 1.00 35.09 ? 49 ASP H OD2 1 ATOM 273 N N . ARG A 1 36 ? 18.744 12.805 11.097 1.00 22.03 ? 50 ARG H N 1 ATOM 274 C CA . ARG A 1 36 ? 19.682 11.877 10.461 1.00 22.36 ? 50 ARG H CA 1 ATOM 275 C C . ARG A 1 36 ? 20.266 10.754 11.344 1.00 20.80 ? 50 ARG H C 1 ATOM 276 O O . ARG A 1 36 ? 21.227 10.126 10.946 1.00 19.54 ? 50 ARG H O 1 ATOM 277 C CB . ARG A 1 36 ? 20.814 12.664 9.783 1.00 28.50 ? 50 ARG H CB 1 ATOM 278 C CG . ARG A 1 36 ? 21.752 13.335 10.764 1.00 33.01 ? 50 ARG H CG 1 ATOM 279 C CD . ARG A 1 36 ? 22.467 14.515 10.119 1.00 41.76 ? 50 ARG H CD 1 ATOM 280 N NE . ARG A 1 36 ? 21.612 15.704 10.135 1.00 45.11 ? 50 ARG H NE 1 ATOM 281 C CZ . ARG A 1 36 ? 21.774 16.774 9.360 1.00 49.03 ? 50 ARG H CZ 1 ATOM 282 N NH1 . ARG A 1 36 ? 22.769 16.831 8.484 1.00 48.44 ? 50 ARG H NH1 1 ATOM 283 N NH2 . ARG A 1 36 ? 20.926 17.787 9.461 1.00 50.38 ? 50 ARG H NH2 1 ATOM 284 N N . TRP A 1 37 ? 19.706 10.516 12.535 1.00 18.05 ? 51 TRP H N 1 ATOM 285 C CA . TRP A 1 37 ? 20.202 9.446 13.419 1.00 16.97 ? 51 TRP H CA 1 ATOM 286 C C . TRP A 1 37 ? 19.088 8.484 13.820 1.00 16.02 ? 51 TRP H C 1 ATOM 287 O O . TRP A 1 37 ? 17.983 8.918 14.179 1.00 13.81 ? 51 TRP H O 1 ATOM 288 C CB . TRP A 1 37 ? 20.825 10.022 14.673 1.00 16.80 ? 51 TRP H CB 1 ATOM 289 C CG . TRP A 1 37 ? 22.145 10.683 14.427 1.00 19.38 ? 51 TRP H CG 1 ATOM 290 C CD1 . TRP A 1 37 ? 22.361 12.021 14.247 1.00 20.07 ? 51 TRP H CD1 1 ATOM 291 C CD2 . TRP A 1 37 ? 23.428 10.043 14.306 1.00 19.13 ? 51 TRP H CD2 1 ATOM 292 N NE1 . TRP A 1 37 ? 23.706 12.256 14.032 1.00 21.39 ? 51 TRP H NE1 1 ATOM 293 C CE2 . TRP A 1 37 ? 24.385 11.066 14.073 1.00 21.14 ? 51 TRP H CE2 1 ATOM 294 C CE3 . TRP A 1 37 ? 23.865 8.714 14.384 1.00 20.40 ? 51 TRP H CE3 1 ATOM 295 C CZ2 . TRP A 1 37 ? 25.779 10.798 13.927 1.00 21.28 ? 51 TRP H CZ2 1 ATOM 296 C CZ3 . TRP A 1 37 ? 25.249 8.440 14.233 1.00 20.96 ? 51 TRP H CZ3 1 ATOM 297 C CH2 . TRP A 1 37 ? 26.180 9.482 14.005 1.00 20.84 ? 51 TRP H CH2 1 ATOM 298 N N . VAL A 1 38 ? 19.406 7.193 13.776 1.00 14.16 ? 52 VAL H N 1 ATOM 299 C CA . VAL A 1 38 ? 18.476 6.128 14.059 1.00 13.89 ? 52 VAL H CA 1 ATOM 300 C C . VAL A 1 38 ? 19.121 5.288 15.149 1.00 14.56 ? 52 VAL H C 1 ATOM 301 O O . VAL A 1 38 ? 20.320 4.962 15.078 1.00 14.89 ? 52 VAL H O 1 ATOM 302 C CB . VAL A 1 38 ? 18.138 5.297 12.781 1.00 14.06 ? 52 VAL H CB 1 ATOM 303 C CG1 . VAL A 1 38 ? 17.363 4.017 13.115 1.00 13.59 ? 52 VAL H CG1 1 ATOM 304 C CG2 . VAL A 1 38 ? 17.286 6.143 11.830 1.00 14.17 ? 52 VAL H CG2 1 ATOM 305 N N . LEU A 1 39 ? 18.334 4.954 16.170 1.00 13.43 ? 53 LEU H N 1 ATOM 306 C CA . LEU A 1 39 ? 18.810 4.140 17.274 1.00 12.84 ? 53 LEU H CA 1 ATOM 307 C C . LEU A 1 39 ? 18.255 2.721 17.157 1.00 12.02 ? 53 LEU H C 1 ATOM 308 O O . LEU A 1 39 ? 17.081 2.555 16.881 1.00 12.53 ? 53 LEU H O 1 ATOM 309 C CB . LEU A 1 39 ? 18.302 4.761 18.582 1.00 13.31 ? 53 LEU H CB 1 ATOM 310 C CG . LEU A 1 39 ? 18.749 4.165 19.904 1.00 14.04 ? 53 LEU H CG 1 ATOM 311 C CD1 . LEU A 1 39 ? 20.267 4.284 20.071 1.00 13.83 ? 53 LEU H CD1 1 ATOM 312 C CD2 . LEU A 1 39 ? 18.044 5.031 20.943 1.00 14.47 ? 53 LEU H CD2 1 ATOM 313 N N . THR A 1 40 ? 19.073 1.713 17.456 1.00 11.37 ? 54 THR H N 1 ATOM 314 C CA . THR A 1 40 ? 18.632 0.318 17.408 1.00 11.61 ? 54 THR H CA 1 ATOM 315 C C . THR A 1 40 ? 19.473 -0.556 18.371 1.00 11.28 ? 54 THR H C 1 ATOM 316 O O . THR A 1 40 ? 20.292 -0.042 19.129 1.00 11.15 ? 54 THR H O 1 ATOM 317 C CB . THR A 1 40 ? 18.669 -0.238 15.951 1.00 12.05 ? 54 THR H CB 1 ATOM 318 O OG1 . THR A 1 40 ? 17.990 -1.489 15.886 1.00 11.67 ? 54 THR H OG1 1 ATOM 319 C CG2 . THR A 1 40 ? 20.137 -0.440 15.422 1.00 12.36 ? 54 THR H CG2 1 ATOM 320 N N . ALA A 1 41 ? 19.229 -1.860 18.357 1.00 10.97 ? 55 ALA H N 1 ATOM 321 C CA . ALA A 1 41 ? 19.979 -2.803 19.176 1.00 11.77 ? 55 ALA H CA 1 ATOM 322 C C . ALA A 1 41 ? 21.219 -3.239 18.400 1.00 12.12 ? 55 ALA H C 1 ATOM 323 O O . ALA A 1 41 ? 21.144 -3.465 17.191 1.00 12.65 ? 55 ALA H O 1 ATOM 324 C CB . ALA A 1 41 ? 19.106 -3.986 19.526 1.00 10.77 ? 55 ALA H CB 1 ATOM 325 N N . ALA A 1 42 ? 22.356 -3.327 19.075 1.00 12.66 ? 56 ALA H N 1 ATOM 326 C CA . ALA A 1 42 ? 23.601 -3.791 18.412 1.00 13.37 ? 56 ALA H CA 1 ATOM 327 C C . ALA A 1 42 ? 23.431 -5.198 17.828 1.00 13.52 ? 56 ALA H C 1 ATOM 328 O O . ALA A 1 42 ? 23.975 -5.495 16.753 1.00 14.41 ? 56 ALA H O 1 ATOM 329 C CB . ALA A 1 42 ? 24.780 -3.755 19.385 1.00 13.25 ? 56 ALA H CB 1 ATOM 330 N N . HIS A 1 43 ? 22.674 -6.054 18.508 1.00 12.98 ? 57 HIS H N 1 ATOM 331 C CA . HIS A 1 43 ? 22.553 -7.441 18.086 1.00 14.78 ? 57 HIS H CA 1 ATOM 332 C C . HIS A 1 43 ? 21.739 -7.607 16.787 1.00 15.57 ? 57 HIS H C 1 ATOM 333 O O . HIS A 1 43 ? 21.769 -8.687 16.178 1.00 14.56 ? 57 HIS H O 1 ATOM 334 C CB . HIS A 1 43 ? 22.014 -8.339 19.211 1.00 15.06 ? 57 HIS H CB 1 ATOM 335 C CG . HIS A 1 43 ? 20.532 -8.372 19.307 1.00 16.83 ? 57 HIS H CG 1 ATOM 336 N ND1 . HIS A 1 43 ? 19.827 -7.613 20.223 1.00 17.24 ? 57 HIS H ND1 1 ATOM 337 C CD2 . HIS A 1 43 ? 19.608 -9.072 18.601 1.00 18.17 ? 57 HIS H CD2 1 ATOM 338 C CE1 . HIS A 1 43 ? 18.534 -7.845 20.071 1.00 19.59 ? 57 HIS H CE1 1 ATOM 339 N NE2 . HIS A 1 43 ? 18.376 -8.724 19.091 1.00 19.38 ? 57 HIS H NE2 1 ATOM 340 N N . CYS A 1 44 ? 21.032 -6.535 16.380 1.00 14.59 ? 58 CYS H N 1 ATOM 341 C CA . CYS A 1 44 ? 20.335 -6.494 15.110 1.00 14.61 ? 58 CYS H CA 1 ATOM 342 C C . CYS A 1 44 ? 21.343 -6.454 13.980 1.00 15.26 ? 58 CYS H C 1 ATOM 343 O O . CYS A 1 44 ? 21.028 -6.883 12.872 1.00 16.54 ? 58 CYS H O 1 ATOM 344 C CB . CYS A 1 44 ? 19.423 -5.254 15.008 1.00 14.47 ? 58 CYS H CB 1 ATOM 345 S SG . CYS A 1 44 ? 17.926 -5.463 15.971 1.00 15.45 ? 58 CYS H SG 1 ATOM 346 N N . LEU A 1 45 ? 22.539 -5.934 14.264 1.00 15.17 ? 59 LEU H N 1 ATOM 347 C CA . LEU A 1 45 ? 23.581 -5.751 13.254 1.00 15.95 ? 59 LEU H CA 1 ATOM 348 C C . LEU A 1 45 ? 24.722 -6.774 13.393 1.00 17.78 ? 59 LEU H C 1 ATOM 349 O O . LEU A 1 45 ? 25.240 -7.283 12.380 1.00 19.84 ? 59 LEU H O 1 ATOM 350 C CB . LEU A 1 45 ? 24.157 -4.333 13.351 1.00 17.24 ? 59 LEU H CB 1 ATOM 351 C CG . LEU A 1 45 ? 23.083 -3.230 13.278 1.00 18.24 ? 59 LEU H CG 1 ATOM 352 C CD1 . LEU A 1 45 ? 23.672 -1.856 13.532 1.00 19.56 ? 59 LEU H CD1 1 ATOM 353 C CD2 . LEU A 1 45 ? 22.332 -3.295 11.963 1.00 18.47 ? 59 LEU H CD2 1 ATOM 354 N N . LEU A 1 46 ? 25.089 -7.092 14.632 1.00 16.74 ? 60 LEU H N 1 ATOM 355 C CA . LEU A 1 46 ? 26.292 -7.880 14.901 1.00 16.41 ? 60 LEU H CA 1 ATOM 356 C C . LEU A 1 46 ? 25.978 -8.933 15.916 1.00 17.02 ? 60 LEU H C 1 ATOM 357 O O . LEU A 1 46 ? 25.702 -8.629 17.105 1.00 16.82 ? 60 LEU H O 1 ATOM 358 C CB . LEU A 1 46 ? 27.422 -6.984 15.431 1.00 17.71 ? 60 LEU H CB 1 ATOM 359 C CG . LEU A 1 46 ? 28.742 -7.710 15.778 1.00 18.57 ? 60 LEU H CG 1 ATOM 360 C CD1 . LEU A 1 46 ? 29.338 -8.325 14.512 1.00 18.68 ? 60 LEU H CD1 1 ATOM 361 C CD2 . LEU A 1 46 ? 29.738 -6.744 16.437 1.00 19.51 ? 60 LEU H CD2 1 ATOM 362 N N . TYR A 1 47 A 26.007 -10.188 15.475 1.00 16.50 ? 60 TYR H N 1 ATOM 363 C CA . TYR A 1 47 A 25.810 -11.279 16.395 1.00 17.01 ? 60 TYR H CA 1 ATOM 364 C C . TYR A 1 47 A 26.560 -12.535 15.881 1.00 17.21 ? 60 TYR H C 1 ATOM 365 O O . TYR A 1 47 A 25.951 -13.407 15.265 1.00 17.23 ? 60 TYR H O 1 ATOM 366 C CB . TYR A 1 47 A 24.305 -11.535 16.642 1.00 16.36 ? 60 TYR H CB 1 ATOM 367 C CG . TYR A 1 47 A 24.107 -12.467 17.786 1.00 16.69 ? 60 TYR H CG 1 ATOM 368 C CD1 . TYR A 1 47 A 24.569 -12.135 19.066 1.00 16.75 ? 60 TYR H CD1 1 ATOM 369 C CD2 . TYR A 1 47 A 23.508 -13.706 17.594 1.00 16.98 ? 60 TYR H CD2 1 ATOM 370 C CE1 . TYR A 1 47 A 24.400 -13.008 20.133 1.00 17.65 ? 60 TYR H CE1 1 ATOM 371 C CE2 . TYR A 1 47 A 23.362 -14.593 18.645 1.00 18.75 ? 60 TYR H CE2 1 ATOM 372 C CZ . TYR A 1 47 A 23.820 -14.235 19.907 1.00 18.48 ? 60 TYR H CZ 1 ATOM 373 O OH . TYR A 1 47 A 23.673 -15.117 20.938 1.00 19.88 ? 60 TYR H OH 1 ATOM 374 N N . PRO A 1 48 B 27.877 -12.610 16.138 1.00 17.51 ? 60 PRO H N 1 ATOM 375 C CA . PRO A 1 48 B 28.698 -13.724 15.620 1.00 18.80 ? 60 PRO H CA 1 ATOM 376 C C . PRO A 1 48 B 28.224 -15.149 15.863 1.00 18.91 ? 60 PRO H C 1 ATOM 377 O O . PRO A 1 48 B 28.481 -15.966 14.984 1.00 22.27 ? 60 PRO H O 1 ATOM 378 C CB . PRO A 1 48 B 30.087 -13.463 16.228 1.00 18.85 ? 60 PRO H CB 1 ATOM 379 C CG . PRO A 1 48 B 30.120 -11.958 16.363 1.00 18.06 ? 60 PRO H CG 1 ATOM 380 C CD . PRO A 1 48 B 28.716 -11.628 16.850 1.00 17.47 ? 60 PRO H CD 1 ATOM 381 N N . PRO A 1 49 C 27.536 -15.492 16.965 1.00 19.80 ? 60 PRO H N 1 ATOM 382 C CA . PRO A 1 49 C 27.050 -16.868 17.104 1.00 21.10 ? 60 PRO H CA 1 ATOM 383 C C . PRO A 1 49 C 26.084 -17.334 16.016 1.00 24.18 ? 60 PRO H C 1 ATOM 384 O O . PRO A 1 49 C 25.967 -18.552 15.781 1.00 25.92 ? 60 PRO H O 1 ATOM 385 C CB . PRO A 1 49 C 26.331 -16.855 18.456 1.00 21.31 ? 60 PRO H CB 1 ATOM 386 C CG . PRO A 1 49 C 27.059 -15.832 19.229 1.00 19.96 ? 60 PRO H CG 1 ATOM 387 C CD . PRO A 1 49 C 27.382 -14.763 18.240 1.00 20.11 ? 60 PRO H CD 1 ATOM 388 N N . TRP A 1 50 D 25.374 -16.392 15.388 1.00 24.58 ? 60 TRP H N 1 ATOM 389 C CA . TRP A 1 50 D 24.501 -16.695 14.245 1.00 24.88 ? 60 TRP H CA 1 ATOM 390 C C . TRP A 1 50 D 25.100 -16.226 12.931 1.00 25.60 ? 60 TRP H C 1 ATOM 391 O O . TRP A 1 50 D 24.372 -16.040 11.953 1.00 26.54 ? 60 TRP H O 1 ATOM 392 C CB . TRP A 1 50 D 23.134 -16.027 14.410 1.00 24.96 ? 60 TRP H CB 1 ATOM 393 C CG . TRP A 1 50 D 22.297 -16.573 15.542 1.00 26.43 ? 60 TRP H CG 1 ATOM 394 C CD1 . TRP A 1 50 D 22.570 -17.657 16.332 1.00 26.87 ? 60 TRP H CD1 1 ATOM 395 C CD2 . TRP A 1 50 D 21.019 -16.082 15.963 1.00 27.72 ? 60 TRP H CD2 1 ATOM 396 N NE1 . TRP A 1 50 D 21.564 -17.842 17.246 1.00 28.82 ? 60 TRP H NE1 1 ATOM 397 C CE2 . TRP A 1 50 D 20.592 -16.894 17.036 1.00 29.08 ? 60 TRP H CE2 1 ATOM 398 C CE3 . TRP A 1 50 D 20.202 -15.022 15.546 1.00 29.11 ? 60 TRP H CE3 1 ATOM 399 C CZ2 . TRP A 1 50 D 19.370 -16.686 17.698 1.00 30.72 ? 60 TRP H CZ2 1 ATOM 400 C CZ3 . TRP A 1 50 D 18.984 -14.804 16.210 1.00 29.58 ? 60 TRP H CZ3 1 ATOM 401 C CH2 . TRP A 1 50 D 18.588 -15.634 17.274 1.00 30.11 ? 60 TRP H CH2 1 ATOM 402 N N . ASP A 1 51 E 26.415 -16.023 12.904 1.00 25.04 ? 60 ASP H N 1 ATOM 403 C CA . ASP A 1 51 E 27.102 -15.452 11.742 1.00 27.74 ? 60 ASP H CA 1 ATOM 404 C C . ASP A 1 51 E 26.445 -14.179 11.210 1.00 27.00 ? 60 ASP H C 1 ATOM 405 O O . ASP A 1 51 E 26.406 -13.963 10.006 1.00 25.59 ? 60 ASP H O 1 ATOM 406 C CB . ASP A 1 51 E 27.234 -16.473 10.599 1.00 31.42 ? 60 ASP H CB 1 ATOM 407 C CG . ASP A 1 51 E 28.175 -17.596 10.947 1.00 35.98 ? 60 ASP H CG 1 ATOM 408 O OD1 . ASP A 1 51 E 29.390 -17.336 11.068 1.00 36.98 ? 60 ASP H OD1 1 ATOM 409 O OD2 . ASP A 1 51 E 27.689 -18.725 11.109 1.00 38.47 ? 60 ASP H OD2 1 ATOM 410 N N . LYS A 1 52 F 25.944 -13.337 12.100 1.00 25.32 ? 60 LYS H N 1 ATOM 411 C CA . LYS A 1 52 F 25.339 -12.083 11.658 1.00 23.52 ? 60 LYS H CA 1 ATOM 412 C C . LYS A 1 52 F 26.348 -10.956 11.821 1.00 22.97 ? 60 LYS H C 1 ATOM 413 O O . LYS A 1 52 F 26.878 -10.747 12.905 1.00 20.62 ? 60 LYS H O 1 ATOM 414 C CB . LYS A 1 52 F 24.066 -11.826 12.456 1.00 25.39 ? 60 LYS H CB 1 ATOM 415 C CG . LYS A 1 52 F 23.262 -10.617 11.989 1.00 29.39 ? 60 LYS H CG 1 ATOM 416 C CD . LYS A 1 52 F 22.231 -10.203 13.033 1.00 29.75 ? 60 LYS H CD 1 ATOM 417 C CE . LYS A 1 52 F 20.934 -11.004 12.976 1.00 33.52 ? 60 LYS H CE 1 ATOM 418 N NZ . LYS A 1 52 F 20.135 -10.664 14.199 1.00 36.21 ? 60 LYS H NZ 1 ATOM 419 N N . ASN A 1 53 G 26.623 -10.237 10.741 1.00 22.46 ? 60 ASN H N 1 ATOM 420 C CA . ASN A 1 53 G 27.530 -9.100 10.781 1.00 25.80 ? 60 ASN H CA 1 ATOM 421 C C . ASN A 1 53 G 27.196 -8.184 9.607 1.00 29.17 ? 60 ASN H C 1 ATOM 422 O O . ASN A 1 53 G 27.830 -8.265 8.551 1.00 26.97 ? 60 ASN H O 1 ATOM 423 C CB . ASN A 1 53 G 29.000 -9.565 10.754 1.00 29.47 ? 60 ASN H CB 1 ATOM 424 C CG . ASN A 1 53 G 29.973 -8.426 10.928 1.00 35.41 ? 60 ASN H CG 1 ATOM 425 O OD1 . ASN A 1 53 G 29.571 -7.272 11.085 1.00 35.94 ? 60 ASN H OD1 1 ATOM 426 N ND2 . ASN A 1 53 G 31.262 -8.738 10.906 1.00 41.23 ? 60 ASN H ND2 1 ATOM 427 N N . PHE A 1 54 H 26.168 -7.339 9.775 1.00 26.57 ? 60 PHE H N 1 ATOM 428 C CA . PHE A 1 54 H 25.695 -6.508 8.680 1.00 26.86 ? 60 PHE H CA 1 ATOM 429 C C . PHE A 1 54 H 26.531 -5.236 8.544 1.00 28.32 ? 60 PHE H C 1 ATOM 430 O O . PHE A 1 54 H 26.973 -4.656 9.534 1.00 29.12 ? 60 PHE H O 1 ATOM 431 C CB . PHE A 1 54 H 24.184 -6.180 8.827 1.00 25.79 ? 60 PHE H CB 1 ATOM 432 C CG . PHE A 1 54 H 23.263 -7.374 8.673 1.00 25.65 ? 60 PHE H CG 1 ATOM 433 C CD1 . PHE A 1 54 H 23.197 -8.086 7.474 1.00 26.05 ? 60 PHE H CD1 1 ATOM 434 C CD2 . PHE A 1 54 H 22.432 -7.768 9.716 1.00 25.98 ? 60 PHE H CD2 1 ATOM 435 C CE1 . PHE A 1 54 H 22.337 -9.161 7.321 1.00 26.15 ? 60 PHE H CE1 1 ATOM 436 C CE2 . PHE A 1 54 H 21.560 -8.842 9.569 1.00 26.33 ? 60 PHE H CE2 1 ATOM 437 C CZ . PHE A 1 54 H 21.522 -9.550 8.368 1.00 27.05 ? 60 PHE H CZ 1 ATOM 438 N N . THR A 1 55 I 26.774 -4.805 7.305 1.00 29.06 ? 60 THR H N 1 ATOM 439 C CA . THR A 1 55 I 27.444 -3.512 7.074 1.00 30.59 ? 60 THR H CA 1 ATOM 440 C C . THR A 1 55 I 26.430 -2.488 6.530 1.00 27.96 ? 60 THR H C 1 ATOM 441 O O . THR A 1 55 I 25.299 -2.846 6.214 1.00 26.44 ? 60 THR H O 1 ATOM 442 C CB . THR A 1 55 I 28.637 -3.650 6.094 1.00 32.01 ? 60 THR H CB 1 ATOM 443 O OG1 . THR A 1 55 I 28.142 -3.813 4.756 1.00 36.30 ? 60 THR H OG1 1 ATOM 444 C CG2 . THR A 1 55 I 29.474 -4.837 6.449 1.00 34.35 ? 60 THR H CG2 1 ATOM 445 N N . GLU A 1 56 ? 26.845 -1.234 6.418 1.00 28.03 ? 61 GLU H N 1 ATOM 446 C CA . GLU A 1 56 ? 25.982 -0.152 5.925 1.00 30.37 ? 61 GLU H CA 1 ATOM 447 C C . GLU A 1 56 ? 25.254 -0.500 4.636 1.00 32.20 ? 61 GLU H C 1 ATOM 448 O O . GLU A 1 56 ? 24.083 -0.162 4.474 1.00 31.56 ? 61 GLU H O 1 ATOM 449 C CB . GLU A 1 56 ? 26.789 1.133 5.707 1.00 31.21 ? 61 GLU H CB 1 ATOM 450 C CG . GLU A 1 56 ? 27.339 1.759 6.979 1.00 33.70 ? 61 GLU H CG 1 ATOM 451 C CD . GLU A 1 56 ? 28.587 1.067 7.512 1.00 34.62 ? 61 GLU H CD 1 ATOM 452 O OE1 . GLU A 1 56 ? 29.040 0.080 6.885 1.00 35.64 ? 61 GLU H OE1 1 ATOM 453 O OE2 . GLU A 1 56 ? 29.111 1.509 8.561 1.00 32.05 ? 61 GLU H OE2 1 ATOM 454 N N . ASN A 1 57 ? 25.935 -1.191 3.728 1.00 30.89 ? 62 ASN H N 1 ATOM 455 C CA . ASN A 1 57 ? 25.361 -1.489 2.414 1.00 33.14 ? 62 ASN H CA 1 ATOM 456 C C . ASN A 1 57 ? 24.397 -2.667 2.347 1.00 30.01 ? 62 ASN H C 1 ATOM 457 O O . ASN A 1 57 ? 23.746 -2.867 1.320 1.00 29.42 ? 62 ASN H O 1 ATOM 458 C CB . ASN A 1 57 ? 26.477 -1.656 1.371 1.00 39.27 ? 62 ASN H CB 1 ATOM 459 C CG . ASN A 1 57 ? 27.374 -0.439 1.290 1.00 44.29 ? 62 ASN H CG 1 ATOM 460 O OD1 . ASN A 1 57 ? 28.593 -0.551 1.390 1.00 53.42 ? 62 ASN H OD1 1 ATOM 461 N ND2 . ASN A 1 57 ? 26.775 0.735 1.127 1.00 46.23 ? 62 ASN H ND2 1 ATOM 462 N N . ASP A 1 58 ? 24.288 -3.439 3.430 1.00 27.28 ? 63 ASP H N 1 ATOM 463 C CA . ASP A 1 58 ? 23.359 -4.558 3.475 1.00 26.64 ? 63 ASP H CA 1 ATOM 464 C C . ASP A 1 58 ? 21.912 -4.157 3.780 1.00 25.12 ? 63 ASP H C 1 ATOM 465 O O . ASP A 1 58 ? 20.995 -4.968 3.606 1.00 25.93 ? 63 ASP H O 1 ATOM 466 C CB . ASP A 1 58 ? 23.802 -5.572 4.540 1.00 29.29 ? 63 ASP H CB 1 ATOM 467 C CG . ASP A 1 58 ? 25.149 -6.202 4.233 1.00 31.30 ? 63 ASP H CG 1 ATOM 468 O OD1 . ASP A 1 58 ? 25.451 -6.432 3.043 1.00 33.23 ? 63 ASP H OD1 1 ATOM 469 O OD2 . ASP A 1 58 ? 25.910 -6.436 5.177 1.00 29.43 ? 63 ASP H OD2 1 ATOM 470 N N . LEU A 1 59 ? 21.710 -2.927 4.249 1.00 25.10 ? 64 LEU H N 1 ATOM 471 C CA . LEU A 1 59 ? 20.457 -2.542 4.912 1.00 25.29 ? 64 LEU H CA 1 ATOM 472 C C . LEU A 1 59 ? 19.868 -1.236 4.398 1.00 24.34 ? 64 LEU H C 1 ATOM 473 O O . LEU A 1 59 ? 20.589 -0.361 3.923 1.00 24.55 ? 64 LEU H O 1 ATOM 474 C CB . LEU A 1 59 ? 20.691 -2.352 6.427 1.00 27.87 ? 64 LEU H CB 1 ATOM 475 C CG . LEU A 1 59 ? 21.642 -3.271 7.177 1.00 29.22 ? 64 LEU H CG 1 ATOM 476 C CD1 . LEU A 1 59 ? 22.217 -2.570 8.393 1.00 30.75 ? 64 LEU H CD1 1 ATOM 477 C CD2 . LEU A 1 59 ? 20.906 -4.530 7.570 1.00 31.23 ? 64 LEU H CD2 1 ATOM 478 N N . LEU A 1 60 ? 18.554 -1.107 4.556 1.00 23.60 ? 65 LEU H N 1 ATOM 479 C CA . LEU A 1 60 ? 17.842 0.155 4.356 1.00 22.56 ? 65 LEU H CA 1 ATOM 480 C C . LEU A 1 60 ? 17.040 0.466 5.626 1.00 21.33 ? 65 LEU H C 1 ATOM 481 O O . LEU A 1 60 ? 16.646 -0.467 6.321 1.00 20.95 ? 65 LEU H O 1 ATOM 482 C CB . LEU A 1 60 ? 16.853 -0.006 3.198 1.00 22.69 ? 65 LEU H CB 1 ATOM 483 C CG . LEU A 1 60 ? 17.445 -0.246 1.808 1.00 24.11 ? 65 LEU H CG 1 ATOM 484 C CD1 . LEU A 1 60 ? 16.334 -0.657 0.866 1.00 23.95 ? 65 LEU H CD1 1 ATOM 485 C CD2 . LEU A 1 60 ? 18.134 1.022 1.314 1.00 24.74 ? 65 LEU H CD2 1 ATOM 486 N N . VAL A 1 61 ? 16.787 1.746 5.918 1.00 20.23 ? 66 VAL H N 1 ATOM 487 C CA . VAL A 1 61 ? 15.756 2.063 6.935 1.00 19.81 ? 66 VAL H CA 1 ATOM 488 C C . VAL A 1 61 ? 14.489 2.588 6.253 1.00 18.90 ? 66 VAL H C 1 ATOM 489 O O . VAL A 1 61 ? 14.579 3.337 5.273 1.00 21.03 ? 66 VAL H O 1 ATOM 490 C CB . VAL A 1 61 ? 16.252 3.020 8.045 1.00 20.46 ? 66 VAL H CB 1 ATOM 491 C CG1 . VAL A 1 61 ? 17.385 2.389 8.836 1.00 22.20 ? 66 VAL H CG1 1 ATOM 492 C CG2 . VAL A 1 61 ? 16.675 4.345 7.488 1.00 20.99 ? 66 VAL H CG2 1 ATOM 493 N N . ARG A 1 62 ? 13.324 2.161 6.735 1.00 17.58 ? 67 ARG H N 1 ATOM 494 C CA . ARG A 1 62 ? 12.045 2.589 6.184 1.00 16.32 ? 67 ARG H CA 1 ATOM 495 C C . ARG A 1 62 ? 11.302 3.310 7.306 1.00 16.09 ? 67 ARG H C 1 ATOM 496 O O . ARG A 1 62 ? 11.110 2.752 8.370 1.00 15.70 ? 67 ARG H O 1 ATOM 497 C CB . ARG A 1 62 ? 11.265 1.391 5.651 1.00 16.39 ? 67 ARG H CB 1 ATOM 498 C CG . ARG A 1 62 ? 11.989 0.710 4.473 1.00 17.26 ? 67 ARG H CG 1 ATOM 499 C CD . ARG A 1 62 ? 11.291 -0.561 4.066 1.00 18.07 ? 67 ARG H CD 1 ATOM 500 N NE . ARG A 1 62 ? 10.061 -0.273 3.330 1.00 18.46 ? 67 ARG H NE 1 ATOM 501 C CZ . ARG A 1 62 ? 9.336 -1.187 2.690 1.00 19.10 ? 67 ARG H CZ 1 ATOM 502 N NH1 . ARG A 1 62 ? 9.709 -2.477 2.686 1.00 19.56 ? 67 ARG H NH1 1 ATOM 503 N NH2 . ARG A 1 62 ? 8.213 -0.815 2.080 1.00 18.70 ? 67 ARG H NH2 1 ATOM 504 N N . ILE A 1 63 ? 10.952 4.564 7.065 1.00 15.05 ? 68 ILE H N 1 ATOM 505 C CA . ILE A 1 63 ? 10.460 5.470 8.109 1.00 15.61 ? 68 ILE H CA 1 ATOM 506 C C . ILE A 1 63 ? 9.053 5.954 7.724 1.00 15.34 ? 68 ILE H C 1 ATOM 507 O O . ILE A 1 63 ? 8.788 6.172 6.542 1.00 15.71 ? 68 ILE H O 1 ATOM 508 C CB . ILE A 1 63 ? 11.406 6.678 8.204 1.00 16.16 ? 68 ILE H CB 1 ATOM 509 C CG1 . ILE A 1 63 ? 12.879 6.215 8.177 1.00 17.01 ? 68 ILE H CG1 1 ATOM 510 C CG2 . ILE A 1 63 ? 11.112 7.561 9.430 1.00 16.57 ? 68 ILE H CG2 1 ATOM 511 C CD1 . ILE A 1 63 ? 13.874 7.357 8.337 1.00 18.02 ? 68 ILE H CD1 1 ATOM 512 N N . GLY A 1 64 ? 8.164 6.125 8.701 1.00 14.37 ? 69 GLY H N 1 ATOM 513 C CA . GLY A 1 64 ? 6.791 6.587 8.418 1.00 14.36 ? 69 GLY H CA 1 ATOM 514 C C . GLY A 1 64 ? 5.835 5.483 8.029 1.00 14.10 ? 69 GLY H C 1 ATOM 515 O O . GLY A 1 64 ? 4.755 5.759 7.506 1.00 14.69 ? 69 GLY H O 1 ATOM 516 N N . LYS A 1 65 ? 6.217 4.227 8.268 1.00 13.78 ? 70 LYS H N 1 ATOM 517 C CA . LYS A 1 65 ? 5.387 3.086 7.841 1.00 14.35 ? 70 LYS H CA 1 ATOM 518 C C . LYS A 1 65 ? 4.274 2.713 8.806 1.00 15.03 ? 70 LYS H C 1 ATOM 519 O O . LYS A 1 65 ? 4.347 3.017 10.004 1.00 15.44 ? 70 LYS H O 1 ATOM 520 C CB . LYS A 1 65 ? 6.249 1.832 7.604 1.00 14.49 ? 70 LYS H CB 1 ATOM 521 C CG . LYS A 1 65 ? 7.173 1.953 6.400 1.00 14.94 ? 70 LYS H CG 1 ATOM 522 C CD . LYS A 1 65 ? 7.825 0.611 6.030 1.00 15.97 ? 70 LYS H CD 1 ATOM 523 C CE . LYS A 1 65 ? 6.819 -0.475 5.623 1.00 16.03 ? 70 LYS H CE 1 ATOM 524 N NZ . LYS A 1 65 ? 5.811 0.008 4.606 1.00 15.89 ? 70 LYS H NZ 1 ATOM 525 N N . HIS A 1 66 ? 3.278 2.002 8.275 1.00 15.23 ? 71 HIS H N 1 ATOM 526 C CA . HIS A 1 66 ? 2.190 1.448 9.063 1.00 15.82 ? 71 HIS H CA 1 ATOM 527 C C . HIS A 1 66 ? 1.989 -0.005 8.660 1.00 16.87 ? 71 HIS H C 1 ATOM 528 O O . HIS A 1 66 ? 2.052 -0.918 9.492 1.00 16.94 ? 71 HIS H O 1 ATOM 529 C CB . HIS A 1 66 ? 0.905 2.281 8.829 1.00 15.11 ? 71 HIS H CB 1 ATOM 530 C CG . HIS A 1 66 ? -0.289 1.783 9.584 1.00 16.28 ? 71 HIS H CG 1 ATOM 531 N ND1 . HIS A 1 66 ? -0.370 1.817 10.960 1.00 16.64 ? 71 HIS H ND1 1 ATOM 532 C CD2 . HIS A 1 66 ? -1.457 1.243 9.151 1.00 16.70 ? 71 HIS H CD2 1 ATOM 533 C CE1 . HIS A 1 66 ? -1.537 1.326 11.345 1.00 17.27 ? 71 HIS H CE1 1 ATOM 534 N NE2 . HIS A 1 66 ? -2.218 0.974 10.266 1.00 16.95 ? 71 HIS H NE2 1 ATOM 535 N N . SER A 1 67 ? 1.730 -0.229 7.369 1.00 16.58 ? 72 SER H N 1 ATOM 536 C CA . SER A 1 67 ? 1.605 -1.581 6.848 1.00 18.20 ? 72 SER H CA 1 ATOM 537 C C . SER A 1 67 ? 2.986 -2.247 6.932 1.00 17.90 ? 72 SER H C 1 ATOM 538 O O . SER A 1 67 ? 3.982 -1.585 6.658 1.00 18.69 ? 72 SER H O 1 ATOM 539 C CB . SER A 1 67 ? 1.172 -1.526 5.382 1.00 19.16 ? 72 SER H CB 1 ATOM 540 O OG . SER A 1 67 ? 1.277 -2.820 4.790 1.00 21.31 ? 72 SER H OG 1 ATOM 541 N N . ARG A 1 68 ? 3.033 -3.524 7.330 1.00 19.27 ? 73 ARG H N 1 ATOM 542 C CA . ARG A 1 68 ? 4.298 -4.287 7.372 1.00 20.56 ? 73 ARG H CA 1 ATOM 543 C C . ARG A 1 68 ? 4.906 -4.482 5.985 1.00 21.55 ? 73 ARG H C 1 ATOM 544 O O . ARG A 1 68 ? 6.091 -4.224 5.790 1.00 22.07 ? 73 ARG H O 1 ATOM 545 C CB . ARG A 1 68 ? 4.113 -5.643 8.040 1.00 20.53 ? 73 ARG H CB 1 ATOM 546 C CG . ARG A 1 68 ? 5.392 -6.492 8.136 1.00 22.59 ? 73 ARG H CG 1 ATOM 547 C CD . ARG A 1 68 ? 5.157 -7.749 8.957 1.00 23.66 ? 73 ARG H CD 1 ATOM 548 N NE . ARG A 1 68 ? 4.138 -8.622 8.349 1.00 26.09 ? 73 ARG H NE 1 ATOM 549 C CZ . ARG A 1 68 ? 4.382 -9.579 7.452 1.00 26.72 ? 73 ARG H CZ 1 ATOM 550 N NH1 . ARG A 1 68 ? 5.620 -9.829 7.050 1.00 27.99 ? 73 ARG H NH1 1 ATOM 551 N NH2 . ARG A 1 68 ? 3.369 -10.291 6.947 1.00 28.17 ? 73 ARG H NH2 1 ATOM 552 N N . THR A 1 69 ? 4.095 -4.942 5.032 1.00 21.13 ? 74 THR H N 1 ATOM 553 C CA . THR A 1 69 ? 4.651 -5.407 3.744 1.00 22.48 ? 74 THR H CA 1 ATOM 554 C C . THR A 1 69 ? 4.468 -4.485 2.537 1.00 22.51 ? 74 THR H C 1 ATOM 555 O O . THR A 1 69 ? 5.191 -4.627 1.544 1.00 23.74 ? 74 THR H O 1 ATOM 556 C CB . THR A 1 69 ? 4.084 -6.778 3.359 1.00 22.67 ? 74 THR H CB 1 ATOM 557 O OG1 . THR A 1 69 ? 2.659 -6.697 3.316 1.00 22.75 ? 74 THR H OG1 1 ATOM 558 C CG2 . THR A 1 69 ? 4.516 -7.834 4.372 1.00 23.80 ? 74 THR H CG2 1 ATOM 559 N N . ARG A 1 70 ? 3.522 -3.552 2.609 1.00 21.80 ? 75 ARG H N 1 ATOM 560 C CA . ARG A 1 70 ? 3.227 -2.704 1.472 1.00 22.39 ? 75 ARG H CA 1 ATOM 561 C C . ARG A 1 70 ? 4.296 -1.637 1.320 1.00 22.73 ? 75 ARG H C 1 ATOM 562 O O . ARG A 1 70 ? 4.877 -1.204 2.311 1.00 22.72 ? 75 ARG H O 1 ATOM 563 C CB . ARG A 1 70 ? 1.825 -2.062 1.601 1.00 24.18 ? 75 ARG H CB 1 ATOM 564 C CG . ARG A 1 70 ? 1.720 -0.691 0.943 0.50 22.72 ? 75 ARG H CG 1 ATOM 565 C CD . ARG A 1 70 ? 0.327 -0.279 0.495 0.50 22.25 ? 75 ARG H CD 1 ATOM 566 N NE . ARG A 1 70 ? 0.379 0.890 -0.396 0.50 21.44 ? 75 ARG H NE 1 ATOM 567 C CZ . ARG A 1 70 ? 0.074 2.139 -0.031 0.50 20.18 ? 75 ARG H CZ 1 ATOM 568 N NH1 . ARG A 1 70 ? -0.323 2.400 1.214 0.50 18.86 ? 75 ARG H NH1 1 ATOM 569 N NH2 . ARG A 1 70 ? 0.167 3.128 -0.915 0.50 18.99 ? 75 ARG H NH2 1 ATOM 570 N N . TYR A 1 71 ? 4.575 -1.228 0.081 1.00 21.02 ? 76 TYR H N 1 ATOM 571 C CA . TYR A 1 71 ? 5.339 -0.016 -0.167 1.00 21.81 ? 76 TYR H CA 1 ATOM 572 C C . TYR A 1 71 ? 4.368 1.180 -0.106 1.00 22.98 ? 76 TYR H C 1 ATOM 573 O O . TYR A 1 71 ? 3.476 1.353 -0.985 1.00 22.92 ? 76 TYR H O 1 ATOM 574 C CB . TYR A 1 71 ? 6.065 -0.064 -1.520 1.00 24.80 ? 76 TYR H CB 1 ATOM 575 C CG . TYR A 1 71 ? 6.674 1.263 -1.828 1.00 25.89 ? 76 TYR H CG 1 ATOM 576 C CD1 . TYR A 1 71 ? 7.626 1.805 -0.969 1.00 26.86 ? 76 TYR H CD1 1 ATOM 577 C CD2 . TYR A 1 71 ? 6.251 2.020 -2.922 1.00 26.60 ? 76 TYR H CD2 1 ATOM 578 C CE1 . TYR A 1 71 ? 8.169 3.046 -1.194 1.00 27.79 ? 76 TYR H CE1 1 ATOM 579 C CE2 . TYR A 1 71 ? 6.792 3.275 -3.166 1.00 27.64 ? 76 TYR H CE2 1 ATOM 580 C CZ . TYR A 1 71 ? 7.748 3.780 -2.294 1.00 28.78 ? 76 TYR H CZ 1 ATOM 581 O OH . TYR A 1 71 ? 8.325 5.010 -2.493 1.00 29.23 ? 76 TYR H OH 1 ATOM 582 N N . GLU A 1 72 ? 4.524 1.993 0.939 1.00 20.27 ? 77 GLU H N 1 ATOM 583 C CA . GLU A 1 72 ? 3.519 3.004 1.298 1.00 19.10 ? 77 GLU H CA 1 ATOM 584 C C . GLU A 1 72 ? 3.848 4.292 0.591 1.00 19.18 ? 77 GLU H C 1 ATOM 585 O O . GLU A 1 72 ? 4.445 5.224 1.146 1.00 19.06 ? 77 GLU H O 1 ATOM 586 C CB . GLU A 1 72 ? 3.388 3.117 2.828 1.00 17.54 ? 77 GLU H CB 1 ATOM 587 C CG . GLU A 1 72 ? 2.727 1.867 3.365 1.00 16.78 ? 77 GLU H CG 1 ATOM 588 C CD . GLU A 1 72 ? 2.660 1.795 4.888 1.00 16.93 ? 77 GLU H CD 1 ATOM 589 O OE1 . GLU A 1 72 ? 3.707 1.628 5.538 1.00 15.26 ? 77 GLU H OE1 1 ATOM 590 O OE2 . GLU A 1 72 ? 1.541 1.871 5.417 1.00 16.73 ? 77 GLU H OE2 1 ATOM 591 N N . ARG A 1 73 A 3.512 4.284 -0.703 1.00 18.44 ? 77 ARG H N 1 ATOM 592 C CA . ARG A 1 73 A 3.898 5.325 -1.635 1.00 19.24 ? 77 ARG H CA 1 ATOM 593 C C . ARG A 1 73 A 3.374 6.678 -1.139 1.00 17.85 ? 77 ARG H C 1 ATOM 594 O O . ARG A 1 73 A 2.234 6.759 -0.666 1.00 19.24 ? 77 ARG H O 1 ATOM 595 C CB . ARG A 1 73 A 3.282 4.951 -2.999 1.00 19.44 ? 77 ARG H CB 1 ATOM 596 C CG . ARG A 1 73 A 3.564 5.913 -4.147 1.00 21.18 ? 77 ARG H CG 1 ATOM 597 C CD . ARG A 1 73 A 3.249 5.248 -5.500 1.00 20.24 ? 77 ARG H CD 1 ATOM 598 N NE . ARG A 1 73 A 1.900 4.665 -5.588 1.00 20.36 ? 77 ARG H NE 1 ATOM 599 C CZ . ARG A 1 73 A 0.834 5.264 -6.130 1.00 19.48 ? 77 ARG H CZ 1 ATOM 600 N NH1 . ARG A 1 73 A 0.906 6.510 -6.613 1.00 18.32 ? 77 ARG H NH1 1 ATOM 601 N NH2 . ARG A 1 73 A -0.323 4.620 -6.166 1.00 19.12 ? 77 ARG H NH2 1 ATOM 602 N N . ASN A 1 74 ? 4.216 7.710 -1.216 1.00 17.67 ? 78 ASN H N 1 ATOM 603 C CA . ASN A 1 74 ? 3.884 9.071 -0.787 1.00 19.17 ? 78 ASN H CA 1 ATOM 604 C C . ASN A 1 74 ? 3.814 9.233 0.733 1.00 18.78 ? 78 ASN H C 1 ATOM 605 O O . ASN A 1 74 ? 3.495 10.313 1.228 1.00 20.57 ? 78 ASN H O 1 ATOM 606 C CB . ASN A 1 74 ? 2.551 9.565 -1.380 1.00 19.84 ? 78 ASN H CB 1 ATOM 607 C CG . ASN A 1 74 ? 2.610 9.802 -2.873 1.00 21.75 ? 78 ASN H CG 1 ATOM 608 O OD1 . ASN A 1 74 ? 3.567 9.419 -3.545 1.00 21.34 ? 78 ASN H OD1 1 ATOM 609 N ND2 . ASN A 1 74 ? 1.554 10.416 -3.408 1.00 21.99 ? 78 ASN H ND2 1 ATOM 610 N N . ILE A 1 75 ? 4.095 8.166 1.464 1.00 18.38 ? 79 ILE H N 1 ATOM 611 C CA . ILE A 1 75 ? 4.013 8.195 2.928 1.00 16.14 ? 79 ILE H CA 1 ATOM 612 C C . ILE A 1 75 ? 5.348 7.815 3.554 1.00 16.34 ? 79 ILE H C 1 ATOM 613 O O . ILE A 1 75 ? 5.962 8.644 4.237 1.00 15.87 ? 79 ILE H O 1 ATOM 614 C CB . ILE A 1 75 ? 2.889 7.279 3.427 1.00 16.21 ? 79 ILE H CB 1 ATOM 615 C CG1 . ILE A 1 75 ? 1.547 7.773 2.843 1.00 16.37 ? 79 ILE H CG1 1 ATOM 616 C CG2 . ILE A 1 75 ? 2.870 7.240 4.976 1.00 14.93 ? 79 ILE H CG2 1 ATOM 617 C CD1 . ILE A 1 75 ? 0.337 6.951 3.207 1.00 18.04 ? 79 ILE H CD1 1 ATOM 618 N N . GLU A 1 76 ? 5.801 6.579 3.332 1.00 15.64 ? 80 GLU H N 1 ATOM 619 C CA . GLU A 1 76 ? 7.123 6.190 3.856 1.00 16.26 ? 80 GLU H CA 1 ATOM 620 C C . GLU A 1 76 ? 8.306 6.838 3.137 1.00 17.75 ? 80 GLU H C 1 ATOM 621 O O . GLU A 1 76 ? 8.194 7.247 1.984 1.00 16.04 ? 80 GLU H O 1 ATOM 622 C CB . GLU A 1 76 ? 7.289 4.672 3.918 1.00 15.97 ? 80 GLU H CB 1 ATOM 623 C CG . GLU A 1 76 ? 7.379 3.929 2.596 1.00 16.49 ? 80 GLU H CG 1 ATOM 624 C CD . GLU A 1 76 ? 7.723 2.468 2.828 1.00 17.43 ? 80 GLU H CD 1 ATOM 625 O OE1 . GLU A 1 76 ? 8.909 2.209 3.117 1.00 18.72 ? 80 GLU H OE1 1 ATOM 626 O OE2 . GLU A 1 76 ? 6.826 1.600 2.746 1.00 16.82 ? 80 GLU H OE2 1 ATOM 627 N N . LYS A 1 77 ? 9.429 6.965 3.845 1.00 17.10 ? 81 LYS H N 1 ATOM 628 C CA . LYS A 1 77 ? 10.683 7.387 3.244 1.00 19.44 ? 81 LYS H CA 1 ATOM 629 C C . LYS A 1 77 ? 11.684 6.259 3.493 1.00 21.68 ? 81 LYS H C 1 ATOM 630 O O . LYS A 1 77 ? 11.767 5.709 4.608 1.00 20.81 ? 81 LYS H O 1 ATOM 631 C CB . LYS A 1 77 ? 11.206 8.678 3.861 1.00 18.97 ? 81 LYS H CB 1 ATOM 632 C CG . LYS A 1 77 ? 10.342 9.899 3.552 0.50 21.44 ? 81 LYS H CG 1 ATOM 633 C CD . LYS A 1 77 ? 10.696 10.506 2.202 0.50 23.18 ? 81 LYS H CD 1 ATOM 634 C CE . LYS A 1 77 ? 9.749 11.637 1.820 0.50 24.93 ? 81 LYS H CE 1 ATOM 635 N NZ . LYS A 1 77 ? 8.354 11.148 1.652 0.50 25.70 ? 81 LYS H NZ 1 ATOM 636 N N . ILE A 1 78 ? 12.402 5.888 2.449 1.00 22.20 ? 82 ILE H N 1 ATOM 637 C CA . ILE A 1 78 ? 13.434 4.855 2.564 1.00 23.60 ? 82 ILE H CA 1 ATOM 638 C C . ILE A 1 78 ? 14.785 5.566 2.546 1.00 24.70 ? 82 ILE H C 1 ATOM 639 O O . ILE A 1 78 ? 15.006 6.434 1.705 1.00 25.09 ? 82 ILE H O 1 ATOM 640 C CB . ILE A 1 78 ? 13.291 3.794 1.459 1.00 24.87 ? 82 ILE H CB 1 ATOM 641 C CG1 . ILE A 1 78 ? 11.866 3.215 1.502 1.00 24.20 ? 82 ILE H CG1 1 ATOM 642 C CG2 . ILE A 1 78 ? 14.354 2.703 1.624 1.00 25.72 ? 82 ILE H CG2 1 ATOM 643 C CD1 . ILE A 1 78 ? 11.550 2.125 0.505 1.00 25.28 ? 82 ILE H CD1 1 ATOM 644 N N . SER A 1 79 ? 15.661 5.259 3.502 1.00 24.14 ? 83 SER H N 1 ATOM 645 C CA . SER A 1 79 ? 16.980 5.900 3.550 1.00 25.69 ? 83 SER H CA 1 ATOM 646 C C . SER A 1 79 ? 18.099 4.870 3.543 1.00 25.93 ? 83 SER H C 1 ATOM 647 O O . SER A 1 79 ? 17.949 3.744 4.030 1.00 22.00 ? 83 SER H O 1 ATOM 648 C CB . SER A 1 79 ? 17.158 6.769 4.782 1.00 27.14 ? 83 SER H CB 1 ATOM 649 O OG . SER A 1 79 ? 16.174 7.778 4.880 1.00 31.61 ? 83 SER H OG 1 ATOM 650 N N . MET A 1 80 ? 19.227 5.284 2.979 1.00 26.90 ? 84 MET H N 1 ATOM 651 C CA . MET A 1 80 ? 20.440 4.503 3.016 1.00 27.68 ? 84 MET H CA 1 ATOM 652 C C . MET A 1 80 ? 21.264 4.966 4.202 1.00 25.85 ? 84 MET H C 1 ATOM 653 O O . MET A 1 80 ? 21.104 6.105 4.689 1.00 26.19 ? 84 MET H O 1 ATOM 654 C CB . MET A 1 80 ? 21.211 4.685 1.713 1.00 31.56 ? 84 MET H CB 1 ATOM 655 C CG . MET A 1 80 ? 20.677 3.805 0.592 1.00 35.11 ? 84 MET H CG 1 ATOM 656 S SD . MET A 1 80 ? 21.346 4.233 -1.034 1.00 43.13 ? 84 MET H SD 1 ATOM 657 C CE . MET A 1 80 ? 23.015 4.797 -0.698 1.00 41.00 ? 84 MET H CE 1 ATOM 658 N N . LEU A 1 81 ? 22.136 4.081 4.674 1.00 23.87 ? 85 LEU H N 1 ATOM 659 C CA . LEU A 1 81 ? 22.991 4.385 5.815 1.00 24.25 ? 85 LEU H CA 1 ATOM 660 C C . LEU A 1 81 ? 24.340 4.850 5.353 1.00 25.64 ? 85 LEU H C 1 ATOM 661 O O . LEU A 1 81 ? 24.897 4.303 4.400 1.00 27.12 ? 85 LEU H O 1 ATOM 662 C CB . LEU A 1 81 ? 23.175 3.156 6.710 1.00 24.70 ? 85 LEU H CB 1 ATOM 663 C CG . LEU A 1 81 ? 21.891 2.445 7.112 1.00 24.98 ? 85 LEU H CG 1 ATOM 664 C CD1 . LEU A 1 81 ? 22.242 1.227 7.936 1.00 26.09 ? 85 LEU H CD1 1 ATOM 665 C CD2 . LEU A 1 81 ? 20.993 3.404 7.871 1.00 27.03 ? 85 LEU H CD2 1 ATOM 666 N N . GLU A 1 82 ? 24.855 5.866 6.027 1.00 25.94 ? 86 GLU H N 1 ATOM 667 C CA . GLU A 1 82 ? 26.216 6.310 5.836 1.00 25.91 ? 86 GLU H CA 1 ATOM 668 C C . GLU A 1 82 ? 27.185 5.519 6.715 1.00 26.21 ? 86 GLU H C 1 ATOM 669 O O . GLU A 1 82 ? 28.234 5.085 6.245 1.00 23.09 ? 86 GLU H O 1 ATOM 670 C CB . GLU A 1 82 ? 26.333 7.780 6.171 1.00 29.66 ? 86 GLU H CB 1 ATOM 671 C CG . GLU A 1 82 ? 27.735 8.318 5.992 1.00 35.86 ? 86 GLU H CG 1 ATOM 672 C CD . GLU A 1 82 ? 27.814 9.776 6.333 1.00 41.47 ? 86 GLU H CD 1 ATOM 673 O OE1 . GLU A 1 82 ? 26.840 10.502 6.053 1.00 46.80 ? 86 GLU H OE1 1 ATOM 674 O OE2 . GLU A 1 82 ? 28.847 10.200 6.886 1.00 48.03 ? 86 GLU H OE2 1 ATOM 675 N N . LYS A 1 83 ? 26.848 5.343 7.998 1.00 24.48 ? 87 LYS H N 1 ATOM 676 C CA . LYS A 1 83 ? 27.754 4.666 8.935 1.00 23.25 ? 87 LYS H CA 1 ATOM 677 C C . LYS A 1 83 ? 26.957 4.070 10.078 1.00 22.84 ? 87 LYS H C 1 ATOM 678 O O . LYS A 1 83 ? 25.950 4.660 10.503 1.00 20.75 ? 87 LYS H O 1 ATOM 679 C CB . LYS A 1 83 ? 28.806 5.641 9.487 1.00 24.91 ? 87 LYS H CB 1 ATOM 680 C CG . LYS A 1 83 ? 30.118 4.989 9.903 0.50 25.14 ? 87 LYS H CG 1 ATOM 681 C CD . LYS A 1 83 ? 30.925 4.563 8.679 0.50 26.17 ? 87 LYS H CD 1 ATOM 682 C CE . LYS A 1 83 ? 32.297 4.042 9.067 0.50 27.15 ? 87 LYS H CE 1 ATOM 683 N NZ . LYS A 1 83 ? 32.185 2.865 9.973 0.50 28.13 ? 87 LYS H NZ 1 ATOM 684 N N . ILE A 1 84 ? 27.401 2.899 10.528 1.00 20.86 ? 88 ILE H N 1 ATOM 685 C CA . ILE A 1 84 ? 26.886 2.221 11.719 1.00 22.09 ? 88 ILE H CA 1 ATOM 686 C C . ILE A 1 84 ? 27.899 2.349 12.855 1.00 22.26 ? 88 ILE H C 1 ATOM 687 O O . ILE A 1 84 ? 29.089 2.159 12.633 1.00 21.90 ? 88 ILE H O 1 ATOM 688 C CB . ILE A 1 84 ? 26.685 0.736 11.420 1.00 21.69 ? 88 ILE H CB 1 ATOM 689 C CG1 . ILE A 1 84 ? 25.460 0.537 10.517 1.00 23.38 ? 88 ILE H CG1 1 ATOM 690 C CG2 . ILE A 1 84 ? 26.593 -0.058 12.719 1.00 24.59 ? 88 ILE H CG2 1 ATOM 691 C CD1 . ILE A 1 84 ? 25.354 -0.859 9.903 1.00 23.52 ? 88 ILE H CD1 1 ATOM 692 N N . TYR A 1 85 ? 27.443 2.664 14.067 1.00 20.38 ? 89 TYR H N 1 ATOM 693 C CA . TYR A 1 85 ? 28.311 2.721 15.237 1.00 20.29 ? 89 TYR H CA 1 ATOM 694 C C . TYR A 1 85 ? 27.748 1.787 16.277 1.00 21.13 ? 89 TYR H C 1 ATOM 695 O O . TYR A 1 85 ? 26.599 1.963 16.718 1.00 20.22 ? 89 TYR H O 1 ATOM 696 C CB . TYR A 1 85 ? 28.345 4.117 15.833 1.00 23.11 ? 89 TYR H CB 1 ATOM 697 C CG . TYR A 1 85 ? 28.859 5.143 14.865 1.00 26.74 ? 89 TYR H CG 1 ATOM 698 C CD1 . TYR A 1 85 ? 27.992 5.790 13.979 1.00 26.64 ? 89 TYR H CD1 1 ATOM 699 C CD2 . TYR A 1 85 ? 30.222 5.448 14.814 1.00 28.76 ? 89 TYR H CD2 1 ATOM 700 C CE1 . TYR A 1 85 ? 28.469 6.724 13.077 1.00 31.66 ? 89 TYR H CE1 1 ATOM 701 C CE2 . TYR A 1 85 ? 30.708 6.379 13.907 1.00 32.76 ? 89 TYR H CE2 1 ATOM 702 C CZ . TYR A 1 85 ? 29.831 7.005 13.043 1.00 32.05 ? 89 TYR H CZ 1 ATOM 703 O OH . TYR A 1 85 ? 30.316 7.925 12.148 1.00 38.05 ? 89 TYR H OH 1 ATOM 704 N N . ILE A 1 86 ? 28.551 0.810 16.675 1.00 18.66 ? 90 ILE H N 1 ATOM 705 C CA . ILE A 1 86 ? 28.143 -0.167 17.682 1.00 18.78 ? 90 ILE H CA 1 ATOM 706 C C . ILE A 1 86 ? 28.896 0.149 18.957 1.00 18.26 ? 90 ILE H C 1 ATOM 707 O O . ILE A 1 86 ? 30.071 0.506 18.907 1.00 18.47 ? 90 ILE H O 1 ATOM 708 C CB . ILE A 1 86 ? 28.440 -1.594 17.175 1.00 19.43 ? 90 ILE H CB 1 ATOM 709 C CG1 . ILE A 1 86 ? 27.494 -1.906 16.018 1.00 21.03 ? 90 ILE H CG1 1 ATOM 710 C CG2 . ILE A 1 86 ? 28.346 -2.623 18.297 1.00 19.25 ? 90 ILE H CG2 1 ATOM 711 C CD1 . ILE A 1 86 ? 27.785 -3.210 15.315 1.00 22.93 ? 90 ILE H CD1 1 ATOM 712 N N . HIS A 1 87 ? 28.251 0.009 20.110 1.00 17.52 ? 91 HIS H N 1 ATOM 713 C CA . HIS A 1 87 ? 28.930 0.323 21.351 1.00 17.81 ? 91 HIS H CA 1 ATOM 714 C C . HIS A 1 87 ? 30.214 -0.528 21.483 1.00 18.24 ? 91 HIS H C 1 ATOM 715 O O . HIS A 1 87 ? 30.161 -1.730 21.281 1.00 17.01 ? 91 HIS H O 1 ATOM 716 C CB . HIS A 1 87 ? 28.006 0.119 22.555 1.00 17.68 ? 91 HIS H CB 1 ATOM 717 C CG . HIS A 1 87 ? 28.539 0.733 23.810 1.00 18.80 ? 91 HIS H CG 1 ATOM 718 N ND1 . HIS A 1 87 ? 29.598 0.195 24.508 1.00 18.59 ? 91 HIS H ND1 1 ATOM 719 C CD2 . HIS A 1 87 ? 28.175 1.849 24.482 1.00 19.84 ? 91 HIS H CD2 1 ATOM 720 C CE1 . HIS A 1 87 ? 29.866 0.953 25.557 1.00 19.21 ? 91 HIS H CE1 1 ATOM 721 N NE2 . HIS A 1 87 ? 29.011 1.959 25.569 1.00 20.18 ? 91 HIS H NE2 1 ATOM 722 N N . PRO A 1 88 ? 31.374 0.115 21.787 1.00 19.55 ? 92 PRO H N 1 ATOM 723 C CA . PRO A 1 88 ? 32.652 -0.617 21.837 1.00 19.68 ? 92 PRO H CA 1 ATOM 724 C C . PRO A 1 88 ? 32.650 -1.756 22.871 1.00 20.35 ? 92 PRO H C 1 ATOM 725 O O . PRO A 1 88 ? 33.392 -2.715 22.715 1.00 20.01 ? 92 PRO H O 1 ATOM 726 C CB . PRO A 1 88 ? 33.698 0.462 22.205 1.00 20.91 ? 92 PRO H CB 1 ATOM 727 C CG . PRO A 1 88 ? 32.947 1.698 22.558 1.00 21.80 ? 92 PRO H CG 1 ATOM 728 C CD . PRO A 1 88 ? 31.528 1.567 22.042 1.00 19.89 ? 92 PRO H CD 1 ATOM 729 N N . ARG A 1 89 ? 31.790 -1.677 23.887 1.00 19.11 ? 93 ARG H N 1 ATOM 730 C CA . ARG A 1 89 ? 31.737 -2.708 24.924 1.00 19.37 ? 93 ARG H CA 1 ATOM 731 C C . ARG A 1 89 ? 30.438 -3.524 24.908 1.00 18.31 ? 93 ARG H C 1 ATOM 732 O O . ARG A 1 89 ? 30.084 -4.177 25.897 1.00 18.10 ? 93 ARG H O 1 ATOM 733 C CB . ARG A 1 89 ? 32.011 -2.105 26.307 1.00 19.92 ? 93 ARG H CB 1 ATOM 734 C CG . ARG A 1 89 ? 33.275 -1.237 26.372 1.00 22.99 ? 93 ARG H CG 1 ATOM 735 C CD . ARG A 1 89 ? 33.573 -0.767 27.792 1.00 25.85 ? 93 ARG H CD 1 ATOM 736 N NE . ARG A 1 89 ? 33.771 -1.907 28.684 1.00 29.76 ? 93 ARG H NE 1 ATOM 737 C CZ . ARG A 1 89 ? 33.665 -1.856 30.012 1.00 31.11 ? 93 ARG H CZ 1 ATOM 738 N NH1 . ARG A 1 89 ? 33.349 -0.722 30.615 1.00 32.18 ? 93 ARG H NH1 1 ATOM 739 N NH2 . ARG A 1 89 ? 33.872 -2.943 30.733 1.00 31.94 ? 93 ARG H NH2 1 ATOM 740 N N . TYR A 1 90 ? 29.745 -3.513 23.762 1.00 17.11 ? 94 TYR H N 1 ATOM 741 C CA . TYR A 1 90 ? 28.670 -4.463 23.497 1.00 15.44 ? 94 TYR H CA 1 ATOM 742 C C . TYR A 1 90 ? 29.135 -5.901 23.756 1.00 16.89 ? 94 TYR H C 1 ATOM 743 O O . TYR A 1 90 ? 30.102 -6.368 23.136 1.00 17.76 ? 94 TYR H O 1 ATOM 744 C CB . TYR A 1 90 ? 28.252 -4.305 22.037 1.00 15.12 ? 94 TYR H CB 1 ATOM 745 C CG . TYR A 1 90 ? 27.396 -5.401 21.457 1.00 14.42 ? 94 TYR H CG 1 ATOM 746 C CD1 . TYR A 1 90 ? 26.272 -5.888 22.134 1.00 13.12 ? 94 TYR H CD1 1 ATOM 747 C CD2 . TYR A 1 90 ? 27.696 -5.920 20.194 1.00 14.09 ? 94 TYR H CD2 1 ATOM 748 C CE1 . TYR A 1 90 ? 25.488 -6.877 21.576 1.00 14.37 ? 94 TYR H CE1 1 ATOM 749 C CE2 . TYR A 1 90 ? 26.927 -6.914 19.645 1.00 14.31 ? 94 TYR H CE2 1 ATOM 750 C CZ . TYR A 1 90 ? 25.822 -7.378 20.322 1.00 14.49 ? 94 TYR H CZ 1 ATOM 751 O OH . TYR A 1 90 ? 25.085 -8.367 19.721 1.00 15.55 ? 94 TYR H OH 1 ATOM 752 N N . ASN A 1 91 ? 28.457 -6.604 24.652 1.00 15.44 ? 95 ASN H N 1 ATOM 753 C CA . ASN A 1 91 ? 28.905 -7.943 25.086 1.00 16.36 ? 95 ASN H CA 1 ATOM 754 C C . ASN A 1 91 ? 28.014 -9.029 24.503 1.00 16.27 ? 95 ASN H C 1 ATOM 755 O O . ASN A 1 91 ? 27.075 -9.498 25.141 1.00 18.57 ? 95 ASN H O 1 ATOM 756 C CB . ASN A 1 91 ? 28.954 -7.997 26.620 1.00 17.10 ? 95 ASN H CB 1 ATOM 757 C CG . ASN A 1 91 ? 29.514 -9.325 27.179 1.00 19.02 ? 95 ASN H CG 1 ATOM 758 O OD1 . ASN A 1 91 ? 29.661 -10.329 26.472 1.00 18.53 ? 95 ASN H OD1 1 ATOM 759 N ND2 . ASN A 1 91 ? 29.758 -9.337 28.488 1.00 17.48 ? 95 ASN H ND2 1 ATOM 760 N N . TRP A 1 92 ? 28.298 -9.419 23.277 1.00 15.66 ? 96 TRP H N 1 ATOM 761 C CA . TRP A 1 92 ? 27.528 -10.472 22.623 1.00 17.03 ? 96 TRP H CA 1 ATOM 762 C C . TRP A 1 92 ? 27.913 -11.888 23.069 1.00 18.47 ? 96 TRP H C 1 ATOM 763 O O . TRP A 1 92 ? 27.188 -12.857 22.766 1.00 19.83 ? 96 TRP H O 1 ATOM 764 C CB . TRP A 1 92 ? 27.690 -10.362 21.106 1.00 16.92 ? 96 TRP H CB 1 ATOM 765 C CG . TRP A 1 92 ? 29.118 -10.331 20.638 1.00 17.63 ? 96 TRP H CG 1 ATOM 766 C CD1 . TRP A 1 92 ? 29.882 -9.222 20.403 1.00 17.99 ? 96 TRP H CD1 1 ATOM 767 C CD2 . TRP A 1 92 ? 29.954 -11.467 20.331 1.00 18.47 ? 96 TRP H CD2 1 ATOM 768 N NE1 . TRP A 1 92 ? 31.129 -9.588 19.961 1.00 17.44 ? 96 TRP H NE1 1 ATOM 769 C CE2 . TRP A 1 92 ? 31.205 -10.957 19.903 1.00 18.78 ? 96 TRP H CE2 1 ATOM 770 C CE3 . TRP A 1 92 ? 29.760 -12.866 20.373 1.00 19.22 ? 96 TRP H CE3 1 ATOM 771 C CZ2 . TRP A 1 92 ? 32.286 -11.799 19.521 1.00 20.11 ? 96 TRP H CZ2 1 ATOM 772 C CZ3 . TRP A 1 92 ? 30.837 -13.713 19.973 1.00 19.36 ? 96 TRP H CZ3 1 ATOM 773 C CH2 . TRP A 1 92 ? 32.080 -13.168 19.571 1.00 19.77 ? 96 TRP H CH2 1 ATOM 774 N N . ARG A 1 93 ? 29.039 -12.025 23.763 1.00 19.85 ? 97 ARG H N 1 ATOM 775 C CA . ARG A 1 93 ? 29.484 -13.377 24.202 1.00 21.94 ? 97 ARG H CA 1 ATOM 776 C C . ARG A 1 93 ? 28.698 -13.910 25.366 1.00 23.23 ? 97 ARG H C 1 ATOM 777 O O . ARG A 1 93 ? 28.449 -15.105 25.439 1.00 24.26 ? 97 ARG H O 1 ATOM 778 C CB . ARG A 1 93 ? 30.972 -13.399 24.572 1.00 23.05 ? 97 ARG H CB 1 ATOM 779 C CG . ARG A 1 93 ? 31.884 -13.057 23.426 1.00 25.27 ? 97 ARG H CG 1 ATOM 780 C CD . ARG A 1 93 ? 33.342 -13.012 23.855 1.00 28.66 ? 97 ARG H CD 1 ATOM 781 N NE . ARG A 1 93 ? 34.173 -13.112 22.669 1.00 33.17 ? 97 ARG H NE 1 ATOM 782 C CZ . ARG A 1 93 ? 34.456 -14.268 22.060 1.00 34.76 ? 97 ARG H CZ 1 ATOM 783 N NH1 . ARG A 1 93 ? 33.999 -15.428 22.542 1.00 32.34 ? 97 ARG H NH1 1 ATOM 784 N NH2 . ARG A 1 93 ? 35.193 -14.258 20.965 1.00 37.45 ? 97 ARG H NH2 1 ATOM 785 N N . GLU A 1 94 A 28.307 -13.032 26.282 1.00 23.37 ? 97 GLU H N 1 ATOM 786 C CA . GLU A 1 94 A 27.738 -13.475 27.532 1.00 25.33 ? 97 GLU H CA 1 ATOM 787 C C . GLU A 1 94 A 26.258 -13.110 27.719 1.00 24.61 ? 97 GLU H C 1 ATOM 788 O O . GLU A 1 94 A 25.426 -13.997 27.909 1.00 24.80 ? 97 GLU H O 1 ATOM 789 C CB . GLU A 1 94 A 28.542 -12.918 28.691 1.00 28.90 ? 97 GLU H CB 1 ATOM 790 C CG . GLU A 1 94 A 28.213 -13.593 30.012 1.00 34.93 ? 97 GLU H CG 1 ATOM 791 C CD . GLU A 1 94 A 28.608 -12.759 31.225 1.00 41.46 ? 97 GLU H CD 1 ATOM 792 O OE1 . GLU A 1 94 A 29.419 -11.808 31.077 1.00 40.92 ? 97 GLU H OE1 1 ATOM 793 O OE2 . GLU A 1 94 A 28.097 -13.055 32.339 1.00 41.74 ? 97 GLU H OE2 1 ATOM 794 N N . ASN A 1 95 ? 25.915 -11.819 27.680 1.00 20.09 ? 98 ASN H N 1 ATOM 795 C CA . ASN A 1 95 ? 24.560 -11.425 28.122 1.00 17.74 ? 98 ASN H CA 1 ATOM 796 C C . ASN A 1 95 ? 23.884 -10.286 27.342 1.00 16.95 ? 98 ASN H C 1 ATOM 797 O O . ASN A 1 95 ? 22.859 -9.780 27.791 1.00 17.56 ? 98 ASN H O 1 ATOM 798 C CB . ASN A 1 95 ? 24.608 -11.058 29.616 1.00 16.61 ? 98 ASN H CB 1 ATOM 799 C CG . ASN A 1 95 ? 25.628 -9.983 29.894 1.00 17.21 ? 98 ASN H CG 1 ATOM 800 O OD1 . ASN A 1 95 ? 26.343 -9.549 28.975 1.00 16.27 ? 98 ASN H OD1 1 ATOM 801 N ND2 . ASN A 1 95 ? 25.711 -9.541 31.137 1.00 16.89 ? 98 ASN H ND2 1 ATOM 802 N N . LEU A 1 96 ? 24.462 -9.877 26.211 1.00 16.64 ? 99 LEU H N 1 ATOM 803 C CA . LEU A 1 96 ? 23.970 -8.751 25.400 1.00 16.91 ? 99 LEU H CA 1 ATOM 804 C C . LEU A 1 96 ? 23.990 -7.423 26.163 1.00 16.56 ? 99 LEU H C 1 ATOM 805 O O . LEU A 1 96 ? 23.180 -6.516 25.921 1.00 15.68 ? 99 LEU H O 1 ATOM 806 C CB . LEU A 1 96 ? 22.575 -9.022 24.797 1.00 17.74 ? 99 LEU H CB 1 ATOM 807 C CG . LEU A 1 96 ? 22.461 -10.164 23.804 1.00 19.33 ? 99 LEU H CG 1 ATOM 808 C CD1 . LEU A 1 96 ? 20.993 -10.316 23.384 1.00 20.53 ? 99 LEU H CD1 1 ATOM 809 C CD2 . LEU A 1 96 ? 23.363 -10.016 22.584 1.00 19.73 ? 99 LEU H CD2 1 ATOM 810 N N . ASP A 1 97 ? 24.942 -7.305 27.071 1.00 15.99 ? 100 ASP H N 1 ATOM 811 C CA . ASP A 1 97 ? 25.154 -6.059 27.789 1.00 16.29 ? 100 ASP H CA 1 ATOM 812 C C . ASP A 1 97 ? 25.530 -4.934 26.804 1.00 14.77 ? 100 ASP H C 1 ATOM 813 O O . ASP A 1 97 ? 26.309 -5.150 25.856 1.00 13.90 ? 100 ASP H O 1 ATOM 814 C CB . ASP A 1 97 ? 26.241 -6.262 28.853 1.00 17.41 ? 100 ASP H CB 1 ATOM 815 C CG . ASP A 1 97 ? 26.332 -5.101 29.822 1.00 19.45 ? 100 ASP H CG 1 ATOM 816 O OD1 . ASP A 1 97 ? 25.283 -4.462 30.083 1.00 19.01 ? 100 ASP H OD1 1 ATOM 817 O OD2 . ASP A 1 97 ? 27.452 -4.817 30.304 1.00 19.01 ? 100 ASP H OD2 1 ATOM 818 N N . ARG A 1 98 ? 24.969 -3.750 27.034 1.00 14.99 ? 101 ARG H N 1 ATOM 819 C CA . ARG A 1 98 ? 25.160 -2.572 26.173 1.00 14.25 ? 101 ARG H CA 1 ATOM 820 C C . ARG A 1 98 ? 24.736 -2.861 24.744 1.00 13.82 ? 101 ARG H C 1 ATOM 821 O O . ARG A 1 98 ? 25.481 -2.610 23.803 1.00 14.34 ? 101 ARG H O 1 ATOM 822 C CB . ARG A 1 98 ? 26.607 -2.060 26.209 1.00 16.82 ? 101 ARG H CB 1 ATOM 823 C CG . ARG A 1 98 ? 27.159 -1.954 27.624 1.00 19.91 ? 101 ARG H CG 1 ATOM 824 C CD . ARG A 1 98 ? 28.574 -1.389 27.631 1.00 22.17 ? 101 ARG H CD 1 ATOM 825 N NE . ARG A 1 98 ? 29.093 -1.407 28.990 1.00 26.79 ? 101 ARG H NE 1 ATOM 826 C CZ . ARG A 1 98 ? 29.697 -2.464 29.544 1.00 28.93 ? 101 ARG H CZ 1 ATOM 827 N NH1 . ARG A 1 98 ? 29.883 -3.608 28.853 1.00 28.31 ? 101 ARG H NH1 1 ATOM 828 N NH2 . ARG A 1 98 ? 30.128 -2.370 30.788 1.00 30.65 ? 101 ARG H NH2 1 ATOM 829 N N . ASP A 1 99 ? 23.527 -3.391 24.601 1.00 12.75 ? 102 ASP H N 1 ATOM 830 C CA . ASP A 1 99 ? 22.986 -3.772 23.295 1.00 12.36 ? 102 ASP H CA 1 ATOM 831 C C . ASP A 1 99 ? 22.397 -2.520 22.644 1.00 12.06 ? 102 ASP H C 1 ATOM 832 O O . ASP A 1 99 ? 21.196 -2.284 22.690 1.00 11.88 ? 102 ASP H O 1 ATOM 833 C CB . ASP A 1 99 ? 21.943 -4.845 23.484 1.00 11.40 ? 102 ASP H CB 1 ATOM 834 C CG . ASP A 1 99 ? 21.469 -5.469 22.191 1.00 11.22 ? 102 ASP H CG 1 ATOM 835 O OD1 . ASP A 1 99 ? 22.118 -5.341 21.129 1.00 10.31 ? 102 ASP H OD1 1 ATOM 836 O OD2 . ASP A 1 99 ? 20.420 -6.158 22.257 1.00 11.61 ? 102 ASP H OD2 1 ATOM 837 N N . ILE A 1 100 ? 23.276 -1.728 22.047 1.00 12.09 ? 103 ILE H N 1 ATOM 838 C CA . ILE A 1 100 ? 22.920 -0.441 21.455 1.00 12.08 ? 103 ILE H CA 1 ATOM 839 C C . ILE A 1 100 ? 23.813 -0.137 20.230 1.00 12.34 ? 103 ILE H C 1 ATOM 840 O O . ILE A 1 100 ? 25.005 -0.433 20.225 1.00 12.54 ? 103 ILE H O 1 ATOM 841 C CB . ILE A 1 100 ? 22.988 0.684 22.509 1.00 12.48 ? 103 ILE H CB 1 ATOM 842 C CG1 . ILE A 1 100 ? 22.245 1.932 22.022 1.00 12.59 ? 103 ILE H CG1 1 ATOM 843 C CG2 . ILE A 1 100 ? 24.440 1.035 22.866 1.00 12.69 ? 103 ILE H CG2 1 ATOM 844 C CD1 . ILE A 1 100 ? 22.019 2.953 23.137 1.00 13.02 ? 103 ILE H CD1 1 ATOM 845 N N . ALA A 1 101 ? 23.220 0.428 19.187 1.00 12.75 ? 104 ALA H N 1 ATOM 846 C CA . ALA A 1 101 ? 23.957 0.872 18.008 1.00 13.47 ? 104 ALA H CA 1 ATOM 847 C C . ALA A 1 101 ? 23.286 2.135 17.515 1.00 14.97 ? 104 ALA H C 1 ATOM 848 O O . ALA A 1 101 ? 22.051 2.274 17.674 1.00 15.41 ? 104 ALA H O 1 ATOM 849 C CB . ALA A 1 101 ? 23.892 -0.207 16.929 1.00 14.05 ? 104 ALA H CB 1 ATOM 850 N N . LEU A 1 102 ? 24.072 3.053 16.932 1.00 15.14 ? 105 LEU H N 1 ATOM 851 C CA . LEU A 1 102 ? 23.553 4.187 16.174 1.00 15.74 ? 105 LEU H CA 1 ATOM 852 C C . LEU A 1 102 ? 23.783 4.016 14.675 1.00 17.33 ? 105 LEU H C 1 ATOM 853 O O . LEU A 1 102 ? 24.787 3.394 14.254 1.00 17.51 ? 105 LEU H O 1 ATOM 854 C CB . LEU A 1 102 ? 24.214 5.477 16.637 1.00 16.05 ? 105 LEU H CB 1 ATOM 855 C CG . LEU A 1 102 ? 23.682 5.960 17.981 1.00 17.38 ? 105 LEU H CG 1 ATOM 856 C CD1 . LEU A 1 102 ? 24.740 6.859 18.618 1.00 18.87 ? 105 LEU H CD1 1 ATOM 857 C CD2 . LEU A 1 102 ? 22.376 6.721 17.740 1.00 17.11 ? 105 LEU H CD2 1 ATOM 858 N N . MET A 1 103 ? 22.862 4.541 13.871 1.00 17.22 ? 106 MET H N 1 ATOM 859 C CA . MET A 1 103 ? 23.009 4.511 12.415 1.00 19.23 ? 106 MET H CA 1 ATOM 860 C C . MET A 1 103 ? 22.824 5.927 11.895 1.00 20.02 ? 106 MET H C 1 ATOM 861 O O . MET A 1 103 ? 21.816 6.579 12.195 1.00 19.30 ? 106 MET H O 1 ATOM 862 C CB . MET A 1 103 ? 22.019 3.543 11.760 1.00 20.24 ? 106 MET H CB 1 ATOM 863 C CG . MET A 1 103 ? 22.168 2.110 12.262 1.00 23.35 ? 106 MET H CG 1 ATOM 864 S SD . MET A 1 103 ? 20.967 0.960 11.583 1.00 28.06 ? 106 MET H SD 1 ATOM 865 C CE . MET A 1 103 ? 19.492 1.536 12.390 1.00 28.08 ? 106 MET H CE 1 ATOM 866 N N . LYS A 1 104 ? 23.802 6.405 11.132 1.00 19.81 ? 107 LYS H N 1 ATOM 867 C CA . LYS A 1 104 ? 23.725 7.741 10.562 1.00 20.92 ? 107 LYS H CA 1 ATOM 868 C C . LYS A 1 104 ? 23.208 7.613 9.139 1.00 20.37 ? 107 LYS H C 1 ATOM 869 O O . LYS A 1 104 ? 23.740 6.826 8.346 1.00 19.06 ? 107 LYS H O 1 ATOM 870 C CB . LYS A 1 104 ? 25.084 8.442 10.567 1.00 22.72 ? 107 LYS H CB 1 ATOM 871 C CG . LYS A 1 104 ? 24.981 9.877 10.089 1.00 25.46 ? 107 LYS H CG 1 ATOM 872 C CD . LYS A 1 104 ? 26.320 10.579 10.064 1.00 29.23 ? 107 LYS H CD 1 ATOM 873 C CE . LYS A 1 104 ? 26.101 12.055 9.758 1.00 33.01 ? 107 LYS H CE 1 ATOM 874 N NZ . LYS A 1 104 ? 27.407 12.731 9.514 1.00 37.60 ? 107 LYS H NZ 1 ATOM 875 N N . LEU A 1 105 ? 22.163 8.372 8.836 1.00 19.62 ? 108 LEU H N 1 ATOM 876 C CA . LEU A 1 105 ? 21.526 8.333 7.520 1.00 21.18 ? 108 LEU H CA 1 ATOM 877 C C . LEU A 1 105 ? 22.369 9.078 6.496 1.00 20.70 ? 108 LEU H C 1 ATOM 878 O O . LEU A 1 105 ? 22.990 10.077 6.829 1.00 19.77 ? 108 LEU H O 1 ATOM 879 C CB . LEU A 1 105 ? 20.139 9.006 7.589 1.00 20.57 ? 108 LEU H CB 1 ATOM 880 C CG . LEU A 1 105 ? 19.112 8.427 8.583 1.00 20.13 ? 108 LEU H CG 1 ATOM 881 C CD1 . LEU A 1 105 ? 17.719 8.985 8.316 1.00 20.19 ? 108 LEU H CD1 1 ATOM 882 C CD2 . LEU A 1 105 ? 19.079 6.915 8.493 1.00 20.30 ? 108 LEU H CD2 1 ATOM 883 N N . LYS A 1 106 ? 22.355 8.619 5.249 1.00 24.38 ? 109 LYS H N 1 ATOM 884 C CA . LYS A 1 106 ? 23.104 9.319 4.206 1.00 26.28 ? 109 LYS H CA 1 ATOM 885 C C . LYS A 1 106 ? 22.641 10.765 4.014 1.00 29.23 ? 109 LYS H C 1 ATOM 886 O O . LYS A 1 106 ? 23.471 11.663 3.880 1.00 29.54 ? 109 LYS H O 1 ATOM 887 C CB . LYS A 1 106 ? 23.129 8.533 2.890 1.00 27.72 ? 109 LYS H CB 1 ATOM 888 C CG . LYS A 1 106 ? 24.544 8.152 2.491 0.50 27.68 ? 109 LYS H CG 1 ATOM 889 C CD . LYS A 1 106 ? 24.581 7.038 1.471 0.50 29.24 ? 109 LYS H CD 1 ATOM 890 C CE . LYS A 1 106 ? 26.003 6.533 1.325 0.50 30.45 ? 109 LYS H CE 1 ATOM 891 N NZ . LYS A 1 106 ? 26.074 5.341 0.439 0.50 32.73 ? 109 LYS H NZ 1 ATOM 892 N N . LYS A 1 107 ? 21.324 10.987 4.037 1.00 30.33 ? 110 LYS H N 1 ATOM 893 C CA . LYS A 1 107 ? 20.754 12.352 4.001 1.00 31.40 ? 110 LYS H CA 1 ATOM 894 C C . LYS A 1 107 ? 19.670 12.497 5.071 1.00 28.68 ? 110 LYS H C 1 ATOM 895 O O . LYS A 1 107 ? 19.004 11.527 5.387 1.00 27.41 ? 110 LYS H O 1 ATOM 896 C CB . LYS A 1 107 ? 20.118 12.645 2.643 1.00 33.71 ? 110 LYS H CB 1 ATOM 897 C CG . LYS A 1 107 ? 21.085 12.632 1.466 1.00 41.57 ? 110 LYS H CG 1 ATOM 898 C CD . LYS A 1 107 ? 20.350 12.709 0.136 1.00 48.07 ? 110 LYS H CD 1 ATOM 899 C CE . LYS A 1 107 ? 19.367 11.553 -0.018 1.00 50.90 ? 110 LYS H CE 1 ATOM 900 N NZ . LYS A 1 107 ? 19.259 11.111 -1.438 1.00 57.18 ? 110 LYS H NZ 1 ATOM 901 N N . PRO A 1 108 ? 19.480 13.712 5.598 1.00 27.81 ? 111 PRO H N 1 ATOM 902 C CA . PRO A 1 108 ? 18.396 14.001 6.543 1.00 27.08 ? 111 PRO H CA 1 ATOM 903 C C . PRO A 1 108 ? 17.028 13.630 5.985 1.00 26.82 ? 111 PRO H C 1 ATOM 904 O O . PRO A 1 108 ? 16.784 13.812 4.798 1.00 27.76 ? 111 PRO H O 1 ATOM 905 C CB . PRO A 1 108 ? 18.475 15.518 6.705 1.00 26.95 ? 111 PRO H CB 1 ATOM 906 C CG . PRO A 1 108 ? 19.884 15.861 6.388 1.00 29.12 ? 111 PRO H CG 1 ATOM 907 C CD . PRO A 1 108 ? 20.275 14.918 5.294 1.00 27.95 ? 111 PRO H CD 1 ATOM 908 N N . VAL A 1 109 ? 16.143 13.095 6.820 1.00 25.34 ? 112 VAL H N 1 ATOM 909 C CA . VAL A 1 109 ? 14.786 12.793 6.379 1.00 24.51 ? 112 VAL H CA 1 ATOM 910 C C . VAL A 1 109 ? 13.925 14.015 6.724 1.00 23.89 ? 112 VAL H C 1 ATOM 911 O O . VAL A 1 109 ? 14.144 14.667 7.745 1.00 23.14 ? 112 VAL H O 1 ATOM 912 C CB . VAL A 1 109 ? 14.243 11.509 7.052 1.00 26.29 ? 112 VAL H CB 1 ATOM 913 C CG1 . VAL A 1 109 ? 13.929 11.751 8.526 1.00 26.40 ? 112 VAL H CG1 1 ATOM 914 C CG2 . VAL A 1 109 ? 12.990 11.002 6.351 1.00 28.86 ? 112 VAL H CG2 1 ATOM 915 N N . ALA A 1 110 ? 12.946 14.325 5.885 1.00 23.93 ? 113 ALA H N 1 ATOM 916 C CA . ALA A 1 110 ? 12.029 15.423 6.193 1.00 23.71 ? 113 ALA H CA 1 ATOM 917 C C . ALA A 1 110 ? 10.939 14.901 7.133 1.00 21.57 ? 113 ALA H C 1 ATOM 918 O O . ALA A 1 110 ? 10.442 13.786 6.942 1.00 22.68 ? 113 ALA H O 1 ATOM 919 C CB . ALA A 1 110 ? 11.414 15.974 4.901 1.00 23.42 ? 113 ALA H CB 1 ATOM 920 N N . PHE A 1 111 ? 10.563 15.694 8.135 1.00 19.90 ? 114 PHE H N 1 ATOM 921 C CA . PHE A 1 111 ? 9.485 15.285 9.032 1.00 19.39 ? 114 PHE H CA 1 ATOM 922 C C . PHE A 1 111 ? 8.119 15.512 8.383 1.00 19.33 ? 114 PHE H C 1 ATOM 923 O O . PHE A 1 111 ? 7.998 16.276 7.438 1.00 20.98 ? 114 PHE H O 1 ATOM 924 C CB . PHE A 1 111 ? 9.582 16.001 10.392 1.00 18.53 ? 114 PHE H CB 1 ATOM 925 C CG . PHE A 1 111 ? 10.910 15.828 11.080 1.00 19.35 ? 114 PHE H CG 1 ATOM 926 C CD1 . PHE A 1 111 ? 11.690 14.686 10.868 1.00 19.10 ? 114 PHE H CD1 1 ATOM 927 C CD2 . PHE A 1 111 ? 11.351 16.772 11.986 1.00 19.36 ? 114 PHE H CD2 1 ATOM 928 C CE1 . PHE A 1 111 ? 12.901 14.524 11.523 1.00 19.80 ? 114 PHE H CE1 1 ATOM 929 C CE2 . PHE A 1 111 ? 12.564 16.612 12.644 1.00 20.09 ? 114 PHE H CE2 1 ATOM 930 C CZ . PHE A 1 111 ? 13.333 15.485 12.413 1.00 20.61 ? 114 PHE H CZ 1 ATOM 931 N N . SER A 1 112 ? 7.097 14.829 8.878 1.00 18.41 ? 115 SER H N 1 ATOM 932 C CA . SER A 1 112 ? 5.767 14.867 8.264 1.00 16.88 ? 115 SER H CA 1 ATOM 933 C C . SER A 1 112 ? 4.815 14.478 9.363 1.00 16.15 ? 115 SER H C 1 ATOM 934 O O . SER A 1 112 ? 5.267 14.278 10.498 1.00 15.38 ? 115 SER H O 1 ATOM 935 C CB . SER A 1 112 ? 5.686 13.874 7.104 1.00 17.46 ? 115 SER H CB 1 ATOM 936 O OG . SER A 1 112 ? 5.563 12.540 7.590 1.00 17.11 ? 115 SER H OG 1 ATOM 937 N N . ASP A 1 113 ? 3.527 14.333 9.044 1.00 15.49 ? 116 ASP H N 1 ATOM 938 C CA . ASP A 1 113 ? 2.569 13.815 10.012 1.00 15.86 ? 116 ASP H CA 1 ATOM 939 C C . ASP A 1 113 ? 2.911 12.400 10.494 1.00 15.13 ? 116 ASP H C 1 ATOM 940 O O . ASP A 1 113 ? 2.425 11.972 11.554 1.00 14.91 ? 116 ASP H O 1 ATOM 941 C CB . ASP A 1 113 ? 1.192 13.737 9.383 1.00 16.67 ? 116 ASP H CB 1 ATOM 942 C CG . ASP A 1 113 ? 0.525 15.103 9.254 1.00 19.62 ? 116 ASP H CG 1 ATOM 943 O OD1 . ASP A 1 113 ? 1.015 16.080 9.849 1.00 18.48 ? 116 ASP H OD1 1 ATOM 944 O OD2 . ASP A 1 113 ? -0.508 15.164 8.558 1.00 21.88 ? 116 ASP H OD2 1 ATOM 945 N N . TYR A 1 114 ? 3.670 11.663 9.683 1.00 14.68 ? 117 TYR H N 1 ATOM 946 C CA . TYR A 1 114 ? 3.967 10.230 9.943 1.00 14.91 ? 117 TYR H CA 1 ATOM 947 C C . TYR A 1 114 ? 5.403 9.931 10.400 1.00 14.69 ? 117 TYR H C 1 ATOM 948 O O . TYR A 1 114 ? 5.734 8.775 10.741 1.00 14.34 ? 117 TYR H O 1 ATOM 949 C CB . TYR A 1 114 ? 3.642 9.398 8.683 1.00 16.49 ? 117 TYR H CB 1 ATOM 950 C CG . TYR A 1 114 ? 2.314 9.814 8.048 1.00 18.26 ? 117 TYR H CG 1 ATOM 951 C CD1 . TYR A 1 114 ? 1.107 9.448 8.627 1.00 18.82 ? 117 TYR H CD1 1 ATOM 952 C CD2 . TYR A 1 114 ? 2.284 10.632 6.901 1.00 19.53 ? 117 TYR H CD2 1 ATOM 953 C CE1 . TYR A 1 114 ? -0.109 9.855 8.078 1.00 20.05 ? 117 TYR H CE1 1 ATOM 954 C CE2 . TYR A 1 114 ? 1.074 11.049 6.343 1.00 20.00 ? 117 TYR H CE2 1 ATOM 955 C CZ . TYR A 1 114 ? -0.109 10.651 6.932 1.00 20.66 ? 117 TYR H CZ 1 ATOM 956 O OH . TYR A 1 114 ? -1.303 11.042 6.385 1.00 22.27 ? 117 TYR H OH 1 ATOM 957 N N . ILE A 1 115 ? 6.237 10.965 10.382 1.00 13.66 ? 118 ILE H N 1 ATOM 958 C CA . ILE A 1 115 ? 7.679 10.858 10.623 1.00 13.72 ? 118 ILE H CA 1 ATOM 959 C C . ILE A 1 115 ? 8.094 11.990 11.553 1.00 14.63 ? 118 ILE H C 1 ATOM 960 O O . ILE A 1 115 ? 8.053 13.181 11.173 1.00 15.30 ? 118 ILE H O 1 ATOM 961 C CB . ILE A 1 115 ? 8.492 11.005 9.296 1.00 13.60 ? 118 ILE H CB 1 ATOM 962 C CG1 . ILE A 1 115 ? 8.136 9.872 8.311 1.00 13.20 ? 118 ILE H CG1 1 ATOM 963 C CG2 . ILE A 1 115 ? 9.986 11.084 9.612 1.00 13.51 ? 118 ILE H CG2 1 ATOM 964 C CD1 . ILE A 1 115 ? 8.770 10.055 6.937 1.00 12.86 ? 118 ILE H CD1 1 ATOM 965 N N . HIS A 1 116 ? 8.483 11.635 12.776 1.00 13.82 ? 119 HIS H N 1 ATOM 966 C CA . HIS A 1 116 ? 8.812 12.636 13.785 1.00 14.16 ? 119 HIS H CA 1 ATOM 967 C C . HIS A 1 116 ? 9.679 11.987 14.887 1.00 13.43 ? 119 HIS H C 1 ATOM 968 O O . HIS A 1 116 ? 9.403 10.853 15.269 1.00 13.13 ? 119 HIS H O 1 ATOM 969 C CB . HIS A 1 116 ? 7.509 13.195 14.387 1.00 14.65 ? 119 HIS H CB 1 ATOM 970 C CG . HIS A 1 116 ? 7.708 14.472 15.111 1.00 16.07 ? 119 HIS H CG 1 ATOM 971 N ND1 . HIS A 1 116 ? 7.740 15.688 14.463 1.00 17.34 ? 119 HIS H ND1 1 ATOM 972 C CD2 . HIS A 1 116 ? 7.937 14.732 16.421 1.00 16.72 ? 119 HIS H CD2 1 ATOM 973 C CE1 . HIS A 1 116 ? 7.978 16.644 15.345 1.00 17.99 ? 119 HIS H CE1 1 ATOM 974 N NE2 . HIS A 1 116 ? 8.105 16.090 16.540 1.00 16.73 ? 119 HIS H NE2 1 ATOM 975 N N . PRO A 1 117 ? 10.733 12.683 15.374 1.00 13.24 ? 120 PRO H N 1 ATOM 976 C CA . PRO A 1 117 ? 11.652 12.009 16.265 1.00 12.84 ? 120 PRO H CA 1 ATOM 977 C C . PRO A 1 117 ? 11.120 11.926 17.691 1.00 12.88 ? 120 PRO H C 1 ATOM 978 O O . PRO A 1 117 ? 10.317 12.783 18.123 1.00 11.87 ? 120 PRO H O 1 ATOM 979 C CB . PRO A 1 117 ? 12.909 12.898 16.231 1.00 13.55 ? 120 PRO H CB 1 ATOM 980 C CG . PRO A 1 117 ? 12.443 14.258 15.848 1.00 13.99 ? 120 PRO H CG 1 ATOM 981 C CD . PRO A 1 117 ? 11.168 14.062 15.061 1.00 13.65 ? 120 PRO H CD 1 ATOM 982 N N . VAL A 1 118 ? 11.557 10.884 18.397 1.00 11.99 ? 121 VAL H N 1 ATOM 983 C CA . VAL A 1 118 ? 11.215 10.694 19.807 1.00 11.57 ? 121 VAL H CA 1 ATOM 984 C C . VAL A 1 118 ? 12.296 11.422 20.623 1.00 11.55 ? 121 VAL H C 1 ATOM 985 O O . VAL A 1 118 ? 13.414 11.605 20.117 1.00 12.14 ? 121 VAL H O 1 ATOM 986 C CB . VAL A 1 118 ? 11.160 9.174 20.131 1.00 11.25 ? 121 VAL H CB 1 ATOM 987 C CG1 . VAL A 1 118 ? 12.549 8.558 20.027 1.00 11.30 ? 121 VAL H CG1 1 ATOM 988 C CG2 . VAL A 1 118 ? 10.566 8.888 21.510 1.00 10.95 ? 121 VAL H CG2 1 ATOM 989 N N . CYS A 1 119 ? 12.009 11.822 21.869 1.00 11.16 ? 122 CYS H N 1 ATOM 990 C CA . CYS A 1 119 ? 13.044 12.409 22.724 1.00 11.90 ? 122 CYS H CA 1 ATOM 991 C C . CYS A 1 119 ? 13.910 11.352 23.428 1.00 12.08 ? 122 CYS H C 1 ATOM 992 O O . CYS A 1 119 ? 13.448 10.238 23.719 1.00 12.31 ? 122 CYS H O 1 ATOM 993 C CB . CYS A 1 119 ? 12.443 13.291 23.826 1.00 12.11 ? 122 CYS H CB 1 ATOM 994 S SG . CYS A 1 119 ? 11.274 14.531 23.240 1.00 12.63 ? 122 CYS H SG 1 ATOM 995 N N . LEU A 1 120 ? 15.161 11.709 23.716 1.00 12.83 ? 123 LEU H N 1 ATOM 996 C CA . LEU A 1 120 ? 15.985 10.876 24.598 1.00 14.23 ? 123 LEU H CA 1 ATOM 997 C C . LEU A 1 120 ? 15.871 11.441 25.998 1.00 14.26 ? 123 LEU H C 1 ATOM 998 O O . LEU A 1 120 ? 15.777 12.665 26.161 1.00 14.73 ? 123 LEU H O 1 ATOM 999 C CB . LEU A 1 120 ? 17.445 10.813 24.136 1.00 14.89 ? 123 LEU H CB 1 ATOM 1000 C CG . LEU A 1 120 ? 17.719 10.243 22.737 1.00 15.89 ? 123 LEU H CG 1 ATOM 1001 C CD1 . LEU A 1 120 ? 19.207 10.349 22.515 1.00 17.05 ? 123 LEU H CD1 1 ATOM 1002 C CD2 . LEU A 1 120 ? 17.264 8.797 22.657 1.00 17.97 ? 123 LEU H CD2 1 ATOM 1003 N N . PRO A 1 121 ? 15.829 10.564 27.014 1.00 15.20 ? 124 PRO H N 1 ATOM 1004 C CA . PRO A 1 121 ? 15.626 11.026 28.389 1.00 16.43 ? 124 PRO H CA 1 ATOM 1005 C C . PRO A 1 121 ? 16.879 11.727 28.955 1.00 19.42 ? 124 PRO H C 1 ATOM 1006 O O . PRO A 1 121 ? 18.002 11.446 28.523 1.00 19.12 ? 124 PRO H O 1 ATOM 1007 C CB . PRO A 1 121 ? 15.333 9.722 29.150 1.00 16.05 ? 124 PRO H CB 1 ATOM 1008 C CG . PRO A 1 121 ? 16.069 8.681 28.396 1.00 15.11 ? 124 PRO H CG 1 ATOM 1009 C CD . PRO A 1 121 ? 15.982 9.094 26.940 1.00 15.08 ? 124 PRO H CD 1 ATOM 1010 N N . ASP A 1 122 ? 16.668 12.687 29.852 1.00 23.03 ? 125 ASP H N 1 ATOM 1011 C CA . ASP A 1 122 ? 17.748 13.230 30.662 1.00 25.90 ? 125 ASP H CA 1 ATOM 1012 C C . ASP A 1 122 ? 17.652 12.548 32.017 1.00 24.65 ? 125 ASP H C 1 ATOM 1013 O O . ASP A 1 122 ? 16.730 11.763 32.241 1.00 23.25 ? 125 ASP H O 1 ATOM 1014 C CB . ASP A 1 122 ? 17.637 14.751 30.771 1.00 29.56 ? 125 ASP H CB 1 ATOM 1015 C CG . ASP A 1 122 ? 16.222 15.212 31.014 1.00 34.26 ? 125 ASP H CG 1 ATOM 1016 O OD1 . ASP A 1 122 ? 15.530 14.661 31.899 1.00 37.45 ? 125 ASP H OD1 1 ATOM 1017 O OD2 . ASP A 1 122 ? 15.788 16.131 30.295 1.00 41.84 ? 125 ASP H OD2 1 ATOM 1018 N N . ARG A 1 123 ? 18.601 12.822 32.916 1.00 23.73 ? 126 ARG H N 1 ATOM 1019 C CA . ARG A 1 123 ? 18.660 12.119 34.203 1.00 24.26 ? 126 ARG H CA 1 ATOM 1020 C C . ARG A 1 123 ? 17.339 12.193 34.944 1.00 24.23 ? 126 ARG H C 1 ATOM 1021 O O . ARG A 1 123 ? 16.864 11.184 35.466 1.00 26.30 ? 126 ARG H O 1 ATOM 1022 C CB . ARG A 1 123 ? 19.808 12.641 35.096 1.00 24.97 ? 126 ARG H CB 1 ATOM 1023 C CG . ARG A 1 123 ? 19.963 11.891 36.414 0.50 25.12 ? 126 ARG H CG 1 ATOM 1024 C CD . ARG A 1 123 ? 21.106 12.448 37.246 0.50 26.12 ? 126 ARG H CD 1 ATOM 1025 N NE . ARG A 1 123 ? 22.329 12.491 36.458 0.50 28.24 ? 126 ARG H NE 1 ATOM 1026 C CZ . ARG A 1 123 ? 23.118 11.442 36.248 0.50 28.74 ? 126 ARG H CZ 1 ATOM 1027 N NH1 . ARG A 1 123 ? 22.816 10.263 36.777 0.50 28.90 ? 126 ARG H NH1 1 ATOM 1028 N NH2 . ARG A 1 123 ? 24.207 11.570 35.504 0.50 28.80 ? 126 ARG H NH2 1 ATOM 1029 N N . GLU A 1 124 ? 16.742 13.381 34.962 1.00 24.19 ? 127 GLU H N 1 ATOM 1030 C CA . GLU A 1 124 ? 15.534 13.655 35.746 1.00 23.62 ? 127 GLU H CA 1 ATOM 1031 C C . GLU A 1 124 ? 14.338 12.849 35.217 1.00 23.25 ? 127 GLU H C 1 ATOM 1032 O O . GLU A 1 124 ? 13.579 12.244 35.988 1.00 22.42 ? 127 GLU H O 1 ATOM 1033 C CB . GLU A 1 124 ? 15.216 15.160 35.732 1.00 24.03 ? 127 GLU H CB 1 ATOM 1034 C CG . GLU A 1 124 ? 16.261 16.109 36.327 0.50 24.06 ? 127 GLU H CG 1 ATOM 1035 C CD . GLU A 1 124 ? 17.631 16.080 35.646 0.50 24.14 ? 127 GLU H CD 1 ATOM 1036 O OE1 . GLU A 1 124 ? 17.754 16.457 34.456 0.50 24.19 ? 127 GLU H OE1 1 ATOM 1037 O OE2 . GLU A 1 124 ? 18.601 15.686 36.320 0.50 24.76 ? 127 GLU H OE2 1 ATOM 1038 N N . THR A 1 125 ? 14.184 12.816 33.894 1.00 22.59 ? 128 THR H N 1 ATOM 1039 C CA . THR A 1 125 ? 13.104 12.049 33.277 1.00 23.78 ? 128 THR H CA 1 ATOM 1040 C C . THR A 1 125 ? 13.254 10.543 33.571 1.00 21.89 ? 128 THR H C 1 ATOM 1041 O O . THR A 1 125 ? 12.281 9.898 33.940 1.00 22.25 ? 128 THR H O 1 ATOM 1042 C CB . THR A 1 125 ? 12.994 12.326 31.758 1.00 26.39 ? 128 THR H CB 1 ATOM 1043 O OG1 . THR A 1 125 ? 12.906 13.745 31.545 1.00 31.16 ? 128 THR H OG1 1 ATOM 1044 C CG2 . THR A 1 125 ? 11.729 11.694 31.202 1.00 27.25 ? 128 THR H CG2 1 ATOM 1045 N N . ALA A 1 126 ? 14.466 10.007 33.455 1.00 20.09 ? 129 ALA H N 1 ATOM 1046 C CA . ALA A 1 126 ? 14.719 8.600 33.794 1.00 21.31 ? 129 ALA H CA 1 ATOM 1047 C C . ALA A 1 126 ? 14.437 8.285 35.260 1.00 21.77 ? 129 ALA H C 1 ATOM 1048 O O . ALA A 1 126 ? 13.751 7.298 35.591 1.00 22.20 ? 129 ALA H O 1 ATOM 1049 C CB . ALA A 1 126 ? 16.143 8.192 33.404 1.00 22.46 ? 129 ALA H CB 1 ATOM 1050 N N . ALA A 1 127 A 14.932 9.142 36.144 1.00 21.89 ? 129 ALA H N 1 ATOM 1051 C CA . ALA A 1 127 A 14.683 8.975 37.570 1.00 22.71 ? 129 ALA H CA 1 ATOM 1052 C C . ALA A 1 127 A 13.183 8.921 37.864 1.00 23.29 ? 129 ALA H C 1 ATOM 1053 O O . ALA A 1 127 A 12.725 8.008 38.537 1.00 25.64 ? 129 ALA H O 1 ATOM 1054 C CB . ALA A 1 127 A 15.366 10.080 38.373 1.00 22.93 ? 129 ALA H CB 1 ATOM 1055 N N . SER A 1 128 B 12.394 9.840 37.323 1.00 23.74 ? 129 SER H N 1 ATOM 1056 C CA . SER A 1 128 B 10.978 9.828 37.685 1.00 25.05 ? 129 SER H CA 1 ATOM 1057 C C . SER A 1 128 B 10.073 8.810 36.972 1.00 24.29 ? 129 SER H C 1 ATOM 1058 O O . SER A 1 128 B 9.050 8.425 37.536 1.00 24.86 ? 129 SER H O 1 ATOM 1059 C CB . SER A 1 128 B 10.380 11.230 37.618 1.00 29.43 ? 129 SER H CB 1 ATOM 1060 O OG . SER A 1 128 B 10.683 11.799 36.377 1.00 36.50 ? 129 SER H OG 1 ATOM 1061 N N . LEU A 1 129 C 10.440 8.365 35.769 1.00 19.93 ? 129 LEU H N 1 ATOM 1062 C CA . LEU A 1 129 C 9.585 7.454 34.998 1.00 19.66 ? 129 LEU H CA 1 ATOM 1063 C C . LEU A 1 129 C 9.979 5.972 35.067 1.00 19.37 ? 129 LEU H C 1 ATOM 1064 O O . LEU A 1 129 C 9.124 5.092 34.943 1.00 18.64 ? 129 LEU H O 1 ATOM 1065 C CB . LEU A 1 129 C 9.543 7.906 33.528 1.00 20.06 ? 129 LEU H CB 1 ATOM 1066 C CG . LEU A 1 129 C 8.751 9.203 33.298 1.00 20.76 ? 129 LEU H CG 1 ATOM 1067 C CD1 . LEU A 1 129 C 8.574 9.434 31.806 1.00 21.67 ? 129 LEU H CD1 1 ATOM 1068 C CD2 . LEU A 1 129 C 7.402 9.047 33.971 1.00 21.25 ? 129 LEU H CD2 1 ATOM 1069 N N . LEU A 1 130 ? 11.266 5.688 35.248 1.00 19.87 ? 130 LEU H N 1 ATOM 1070 C CA . LEU A 1 130 ? 11.707 4.278 35.274 1.00 23.03 ? 130 LEU H CA 1 ATOM 1071 C C . LEU A 1 130 ? 11.521 3.637 36.645 1.00 24.46 ? 130 LEU H C 1 ATOM 1072 O O . LEU A 1 130 ? 12.484 3.454 37.403 1.00 24.55 ? 130 LEU H O 1 ATOM 1073 C CB . LEU A 1 130 ? 13.154 4.163 34.857 1.00 25.12 ? 130 LEU H CB 1 ATOM 1074 C CG . LEU A 1 130 ? 13.457 4.115 33.382 1.00 28.37 ? 130 LEU H CG 1 ATOM 1075 C CD1 . LEU A 1 130 ? 14.961 4.011 33.234 1.00 30.47 ? 130 LEU H CD1 1 ATOM 1076 C CD2 . LEU A 1 130 ? 12.791 2.928 32.720 1.00 28.12 ? 130 LEU H CD2 1 ATOM 1077 N N . GLN A 1 131 ? 10.274 3.316 36.955 1.00 23.35 ? 131 GLN H N 1 ATOM 1078 C CA . GLN A 1 131 ? 9.913 2.828 38.253 1.00 23.96 ? 131 GLN H CA 1 ATOM 1079 C C . GLN A 1 131 ? 9.020 1.625 38.044 1.00 22.05 ? 131 GLN H C 1 ATOM 1080 O O . GLN A 1 131 ? 8.162 1.635 37.155 1.00 19.33 ? 131 GLN H O 1 ATOM 1081 C CB . GLN A 1 131 ? 9.172 3.904 39.033 1.00 25.98 ? 131 GLN H CB 1 ATOM 1082 C CG . GLN A 1 131 ? 10.029 5.116 39.366 1.00 32.97 ? 131 GLN H CG 1 ATOM 1083 C CD . GLN A 1 131 ? 9.404 5.989 40.443 1.00 39.25 ? 131 GLN H CD 1 ATOM 1084 O OE1 . GLN A 1 131 ? 8.935 7.101 40.174 1.00 42.60 ? 131 GLN H OE1 1 ATOM 1085 N NE2 . GLN A 1 131 ? 9.391 5.485 41.673 1.00 41.18 ? 131 GLN H NE2 1 ATOM 1086 N N . ALA A 1 132 ? 9.220 0.597 38.868 1.00 20.17 ? 132 ALA H N 1 ATOM 1087 C CA . ALA A 1 132 ? 8.400 -0.621 38.808 1.00 19.43 ? 132 ALA H CA 1 ATOM 1088 C C . ALA A 1 132 ? 6.918 -0.285 38.818 1.00 19.09 ? 132 ALA H C 1 ATOM 1089 O O . ALA A 1 132 ? 6.490 0.572 39.588 1.00 21.26 ? 132 ALA H O 1 ATOM 1090 C CB . ALA A 1 132 ? 8.736 -1.534 39.982 1.00 19.53 ? 132 ALA H CB 1 ATOM 1091 N N . GLY A 1 133 ? 6.142 -0.949 37.968 1.00 18.00 ? 133 GLY H N 1 ATOM 1092 C CA . GLY A 1 133 ? 4.694 -0.700 37.845 1.00 18.42 ? 133 GLY H CA 1 ATOM 1093 C C . GLY A 1 133 ? 4.276 0.364 36.823 1.00 17.61 ? 133 GLY H C 1 ATOM 1094 O O . GLY A 1 133 ? 3.151 0.326 36.301 1.00 16.76 ? 133 GLY H O 1 ATOM 1095 N N . TYR A 1 134 ? 5.170 1.308 36.532 1.00 16.40 ? 134 TYR H N 1 ATOM 1096 C CA . TYR A 1 134 ? 4.892 2.331 35.521 1.00 15.77 ? 134 TYR H CA 1 ATOM 1097 C C . TYR A 1 134 ? 4.949 1.666 34.166 1.00 15.74 ? 134 TYR H C 1 ATOM 1098 O O . TYR A 1 134 ? 5.856 0.835 33.912 1.00 14.29 ? 134 TYR H O 1 ATOM 1099 C CB . TYR A 1 134 ? 5.939 3.436 35.556 1.00 17.14 ? 134 TYR H CB 1 ATOM 1100 C CG . TYR A 1 134 ? 5.807 4.427 36.706 1.00 18.96 ? 134 TYR H CG 1 ATOM 1101 C CD1 . TYR A 1 134 ? 5.232 4.060 37.942 1.00 20.67 ? 134 TYR H CD1 1 ATOM 1102 C CD2 . TYR A 1 134 ? 6.282 5.726 36.558 1.00 20.56 ? 134 TYR H CD2 1 ATOM 1103 C CE1 . TYR A 1 134 ? 5.134 4.984 38.989 1.00 21.55 ? 134 TYR H CE1 1 ATOM 1104 C CE2 . TYR A 1 134 ? 6.188 6.648 37.586 1.00 22.60 ? 134 TYR H CE2 1 ATOM 1105 C CZ . TYR A 1 134 ? 5.614 6.274 38.787 1.00 22.19 ? 134 TYR H CZ 1 ATOM 1106 O OH . TYR A 1 134 ? 5.547 7.214 39.786 1.00 23.62 ? 134 TYR H OH 1 ATOM 1107 N N . LYS A 1 135 ? 4.018 2.051 33.291 1.00 14.14 ? 135 LYS H N 1 ATOM 1108 C CA . LYS A 1 135 ? 3.879 1.385 32.007 1.00 13.89 ? 135 LYS H CA 1 ATOM 1109 C C . LYS A 1 135 ? 4.576 2.146 30.897 1.00 13.51 ? 135 LYS H C 1 ATOM 1110 O O . LYS A 1 135 ? 4.543 3.391 30.843 1.00 12.59 ? 135 LYS H O 1 ATOM 1111 C CB . LYS A 1 135 ? 2.408 1.167 31.660 1.00 15.20 ? 135 LYS H CB 1 ATOM 1112 C CG . LYS A 1 135 ? 1.779 0.011 32.416 1.00 16.38 ? 135 LYS H CG 1 ATOM 1113 C CD . LYS A 1 135 ? 0.270 0.011 32.267 1.00 15.82 ? 135 LYS H CD 1 ATOM 1114 C CE . LYS A 1 135 ? -0.347 -1.016 33.210 1.00 16.80 ? 135 LYS H CE 1 ATOM 1115 N NZ . LYS A 1 135 ? -1.784 -1.159 32.848 1.00 16.98 ? 135 LYS H NZ 1 ATOM 1116 N N . GLY A 1 136 ? 5.199 1.383 30.003 1.00 12.29 ? 136 GLY H N 1 ATOM 1117 C CA . GLY A 1 136 ? 5.734 1.958 28.777 1.00 12.42 ? 136 GLY H CA 1 ATOM 1118 C C . GLY A 1 136 ? 5.095 1.246 27.607 1.00 12.32 ? 136 GLY H C 1 ATOM 1119 O O . GLY A 1 136 ? 4.189 0.410 27.788 1.00 14.05 ? 136 GLY H O 1 ATOM 1120 N N . ARG A 1 137 ? 5.530 1.577 26.399 1.00 11.55 ? 137 ARG H N 1 ATOM 1121 C CA . ARG A 1 137 ? 4.837 1.100 25.210 1.00 11.25 ? 137 ARG H CA 1 ATOM 1122 C C . ARG A 1 137 ? 5.864 0.564 24.232 1.00 11.30 ? 137 ARG H C 1 ATOM 1123 O O . ARG A 1 137 ? 6.880 1.221 23.982 1.00 11.60 ? 137 ARG H O 1 ATOM 1124 C CB . ARG A 1 137 ? 4.070 2.266 24.554 1.00 10.65 ? 137 ARG H CB 1 ATOM 1125 C CG . ARG A 1 137 ? 3.426 1.943 23.212 1.00 10.97 ? 137 ARG H CG 1 ATOM 1126 C CD . ARG A 1 137 ? 2.647 3.152 22.676 1.00 11.39 ? 137 ARG H CD 1 ATOM 1127 N NE . ARG A 1 137 ? 1.352 3.318 23.342 1.00 11.73 ? 137 ARG H NE 1 ATOM 1128 C CZ . ARG A 1 137 ? 0.513 4.343 23.129 1.00 12.79 ? 137 ARG H CZ 1 ATOM 1129 N NH1 . ARG A 1 137 ? 0.841 5.347 22.300 1.00 11.93 ? 137 ARG H NH1 1 ATOM 1130 N NH2 . ARG A 1 137 ? -0.656 4.389 23.791 1.00 12.46 ? 137 ARG H NH2 1 ATOM 1131 N N . VAL A 1 138 ? 5.586 -0.624 23.677 1.00 11.40 ? 138 VAL H N 1 ATOM 1132 C CA . VAL A 1 138 ? 6.475 -1.268 22.705 1.00 12.66 ? 138 VAL H CA 1 ATOM 1133 C C . VAL A 1 138 ? 5.727 -1.403 21.387 1.00 12.29 ? 138 VAL H C 1 ATOM 1134 O O . VAL A 1 138 ? 4.529 -1.710 21.371 1.00 12.99 ? 138 VAL H O 1 ATOM 1135 C CB . VAL A 1 138 ? 6.942 -2.655 23.236 1.00 13.08 ? 138 VAL H CB 1 ATOM 1136 C CG1 . VAL A 1 138 ? 8.030 -3.237 22.340 1.00 13.29 ? 138 VAL H CG1 1 ATOM 1137 C CG2 . VAL A 1 138 ? 7.516 -2.478 24.613 1.00 13.57 ? 138 VAL H CG2 1 ATOM 1138 N N . THR A 1 139 ? 6.419 -1.194 20.281 1.00 12.23 ? 139 THR H N 1 ATOM 1139 C CA . THR A 1 139 ? 5.781 -1.250 18.993 1.00 12.06 ? 139 THR H CA 1 ATOM 1140 C C . THR A 1 139 ? 6.661 -2.031 18.038 1.00 12.24 ? 139 THR H C 1 ATOM 1141 O O . THR A 1 139 ? 7.870 -2.028 18.167 1.00 10.60 ? 139 THR H O 1 ATOM 1142 C CB . THR A 1 139 ? 5.569 0.169 18.405 1.00 12.57 ? 139 THR H CB 1 ATOM 1143 O OG1 . THR A 1 139 ? 6.752 0.963 18.628 1.00 13.15 ? 139 THR H OG1 1 ATOM 1144 C CG2 . THR A 1 139 ? 4.372 0.837 19.038 1.00 12.25 ? 139 THR H CG2 1 ATOM 1145 N N . GLY A 1 140 ? 6.049 -2.728 17.081 1.00 12.29 ? 140 GLY H N 1 ATOM 1146 C CA . GLY A 1 140 ? 6.868 -3.432 16.080 1.00 12.54 ? 140 GLY H CA 1 ATOM 1147 C C . GLY A 1 140 ? 6.028 -4.269 15.144 1.00 12.66 ? 140 GLY H C 1 ATOM 1148 O O . GLY A 1 140 ? 4.824 -4.424 15.336 1.00 12.56 ? 140 GLY H O 1 ATOM 1149 N N . TRP A 1 141 ? 6.674 -4.761 14.106 1.00 14.11 ? 141 TRP H N 1 ATOM 1150 C CA . TRP A 1 141 ? 6.030 -5.612 13.100 1.00 14.27 ? 141 TRP H CA 1 ATOM 1151 C C . TRP A 1 141 ? 6.419 -7.069 13.274 1.00 16.28 ? 141 TRP H C 1 ATOM 1152 O O . TRP A 1 141 ? 6.267 -7.866 12.333 1.00 15.86 ? 141 TRP H O 1 ATOM 1153 C CB . TRP A 1 141 ? 6.462 -5.159 11.711 1.00 14.05 ? 141 TRP H CB 1 ATOM 1154 C CG . TRP A 1 141 ? 5.933 -3.800 11.326 1.00 14.33 ? 141 TRP H CG 1 ATOM 1155 C CD1 . TRP A 1 141 ? 4.670 -3.514 10.861 1.00 14.23 ? 141 TRP H CD1 1 ATOM 1156 C CD2 . TRP A 1 141 ? 6.647 -2.561 11.348 1.00 14.02 ? 141 TRP H CD2 1 ATOM 1157 N NE1 . TRP A 1 141 ? 4.564 -2.171 10.590 1.00 13.99 ? 141 TRP H NE1 1 ATOM 1158 C CE2 . TRP A 1 141 ? 5.762 -1.563 10.874 1.00 14.22 ? 141 TRP H CE2 1 ATOM 1159 C CE3 . TRP A 1 141 ? 7.959 -2.195 11.700 1.00 14.20 ? 141 TRP H CE3 1 ATOM 1160 C CZ2 . TRP A 1 141 ? 6.139 -0.219 10.758 1.00 14.52 ? 141 TRP H CZ2 1 ATOM 1161 C CZ3 . TRP A 1 141 ? 8.339 -0.853 11.570 1.00 14.76 ? 141 TRP H CZ3 1 ATOM 1162 C CH2 . TRP A 1 141 ? 7.419 0.119 11.112 1.00 14.29 ? 141 TRP H CH2 1 ATOM 1163 N N . GLY A 1 142 ? 6.947 -7.409 14.450 1.00 16.67 ? 142 GLY H N 1 ATOM 1164 C CA . GLY A 1 142 ? 7.402 -8.773 14.748 1.00 17.80 ? 142 GLY H CA 1 ATOM 1165 C C . GLY A 1 142 ? 6.279 -9.776 14.894 1.00 20.15 ? 142 GLY H C 1 ATOM 1166 O O . GLY A 1 142 ? 5.081 -9.431 14.841 1.00 19.44 ? 142 GLY H O 1 ATOM 1167 N N . ASN A 1 143 ? 6.665 -11.037 15.092 1.00 20.85 ? 143 ASN H N 1 ATOM 1168 C CA . ASN A 1 143 ? 5.706 -12.119 15.144 1.00 21.96 ? 143 ASN H CA 1 ATOM 1169 C C . ASN A 1 143 ? 4.665 -11.920 16.223 1.00 21.44 ? 143 ASN H C 1 ATOM 1170 O O . ASN A 1 143 ? 4.939 -11.333 17.292 1.00 20.23 ? 143 ASN H O 1 ATOM 1171 C CB . ASN A 1 143 ? 6.437 -13.459 15.357 1.00 24.66 ? 143 ASN H CB 1 ATOM 1172 C CG . ASN A 1 143 ? 7.349 -13.820 14.193 1.00 26.46 ? 143 ASN H CG 1 ATOM 1173 O OD1 . ASN A 1 143 ? 7.232 -13.282 13.099 1.00 28.25 ? 143 ASN H OD1 1 ATOM 1174 N ND2 . ASN A 1 143 ? 8.267 -14.734 14.436 1.00 30.75 ? 143 ASN H ND2 1 ATOM 1175 N N . LEU A 1 144 ? 3.471 -12.430 15.930 1.00 21.34 ? 144 LEU H N 1 ATOM 1176 C CA . LEU A 1 144 ? 2.336 -12.366 16.829 1.00 22.18 ? 144 LEU H CA 1 ATOM 1177 C C . LEU A 1 144 ? 2.339 -13.474 17.907 1.00 23.63 ? 144 LEU H C 1 ATOM 1178 O O . LEU A 1 144 ? 1.594 -13.406 18.893 1.00 24.28 ? 144 LEU H O 1 ATOM 1179 C CB . LEU A 1 144 ? 1.039 -12.386 16.006 1.00 23.33 ? 144 LEU H CB 1 ATOM 1180 C CG . LEU A 1 144 ? 0.786 -11.221 15.022 1.00 23.46 ? 144 LEU H CG 1 ATOM 1181 C CD1 . LEU A 1 144 ? -0.467 -11.503 14.189 1.00 24.27 ? 144 LEU H CD1 1 ATOM 1182 C CD2 . LEU A 1 144 ? 0.644 -9.863 15.723 1.00 23.47 ? 144 LEU H CD2 1 ATOM 1183 N N . LYS A 1 145 ? 3.174 -14.489 17.712 1.00 24.55 ? 145 LYS H N 1 ATOM 1184 C CA . LYS A 1 145 ? 3.204 -15.667 18.597 1.00 27.90 ? 145 LYS H CA 1 ATOM 1185 C C . LYS A 1 145 ? 4.586 -16.259 18.523 1.00 26.64 ? 145 LYS H C 1 ATOM 1186 O O . LYS A 1 145 ? 5.248 -16.143 17.496 1.00 25.38 ? 145 LYS H O 1 ATOM 1187 C CB . LYS A 1 145 ? 2.202 -16.739 18.142 1.00 30.91 ? 145 LYS H CB 1 ATOM 1188 C CG . LYS A 1 145 ? 0.789 -16.519 18.643 1.00 36.97 ? 145 LYS H CG 1 ATOM 1189 C CD . LYS A 1 145 ? -0.214 -17.486 18.023 1.00 39.79 ? 145 LYS H CD 1 ATOM 1190 C CE . LYS A 1 145 ? -1.634 -16.953 18.224 1.00 45.52 ? 145 LYS H CE 1 ATOM 1191 N NZ . LYS A 1 145 ? -2.699 -17.962 17.935 1.00 46.28 ? 145 LYS H NZ 1 ATOM 1192 N N . GLU A 1 146 ? 5.012 -16.907 19.599 1.00 28.54 ? 146 GLU H N 1 ATOM 1193 C CA . GLU A 1 146 ? 6.319 -17.559 19.622 1.00 32.52 ? 146 GLU H CA 1 ATOM 1194 C C . GLU A 1 146 ? 6.455 -18.642 18.539 1.00 32.38 ? 146 GLU H C 1 ATOM 1195 O O . GLU A 1 146 ? 7.467 -18.706 17.846 1.00 35.94 ? 146 GLU H O 1 ATOM 1196 C CB . GLU A 1 146 ? 6.602 -18.150 20.999 1.00 31.68 ? 146 GLU H CB 1 ATOM 1197 C CG . GLU A 1 146 ? 8.061 -18.520 21.172 1.00 32.95 ? 146 GLU H CG 1 ATOM 1198 C CD . GLU A 1 146 ? 8.328 -19.180 22.501 1.00 33.14 ? 146 GLU H CD 1 ATOM 1199 O OE1 . GLU A 1 146 ? 7.761 -18.742 23.524 1.00 30.60 ? 146 GLU H OE1 1 ATOM 1200 O OE2 . GLU A 1 146 ? 9.114 -20.147 22.514 1.00 37.17 ? 146 GLU H OE2 1 ATOM 1201 N N . THR A 1 147 ? 5.440 -19.483 18.400 0.50 31.96 ? 147 THR H N 1 ATOM 1202 C CA . THR A 1 147 ? 5.460 -20.501 17.371 0.50 33.15 ? 147 THR H CA 1 ATOM 1203 C C . THR A 1 147 ? 4.170 -20.424 16.590 0.50 34.74 ? 147 THR H C 1 ATOM 1204 O O . THR A 1 147 ? 3.090 -20.407 17.164 0.50 33.23 ? 147 THR H O 1 ATOM 1205 C CB . THR A 1 147 ? 5.630 -21.899 17.975 0.50 32.69 ? 147 THR H CB 1 ATOM 1206 O OG1 . THR A 1 147 ? 4.822 -22.003 19.148 0.50 32.45 ? 147 THR H OG1 1 ATOM 1207 C CG2 . THR A 1 147 ? 7.087 -22.139 18.360 0.50 31.83 ? 147 THR H CG2 1 ATOM 1208 N N . TRP A 1 148 ? 4.189 -20.355 15.368 1.00 42.05 ? 148 TRP H N 1 ATOM 1209 N N . GLY A 1 155 ? 0.207 -15.402 12.374 1.00 42.53 ? 150 GLY H N 1 ATOM 1210 C CA . GLY A 1 155 ? 1.699 -15.473 12.427 1.00 38.57 ? 150 GLY H CA 1 ATOM 1211 C C . GLY A 1 155 ? 2.379 -14.110 12.422 1.00 38.05 ? 150 GLY H C 1 ATOM 1212 O O . GLY A 1 155 ? 3.044 -13.730 13.386 1.00 37.02 ? 150 GLY H O 1 ATOM 1213 N N . GLN A 1 156 ? 2.232 -13.381 11.323 1.00 35.76 ? 151 GLN H N 1 ATOM 1214 C CA . GLN A 1 156 ? 2.804 -12.040 11.183 1.00 33.23 ? 151 GLN H CA 1 ATOM 1215 C C . GLN A 1 156 ? 1.689 -10.993 11.016 1.00 31.75 ? 151 GLN H C 1 ATOM 1216 O O . GLN A 1 156 ? 0.624 -11.317 10.486 1.00 31.61 ? 151 GLN H O 1 ATOM 1217 C CB . GLN A 1 156 ? 3.771 -12.031 10.016 1.00 35.29 ? 151 GLN H CB 1 ATOM 1218 C CG . GLN A 1 156 ? 4.855 -13.081 10.214 1.00 38.91 ? 151 GLN H CG 1 ATOM 1219 C CD . GLN A 1 156 ? 5.737 -13.275 9.003 1.00 42.67 ? 151 GLN H CD 1 ATOM 1220 O OE1 . GLN A 1 156 ? 5.262 -13.325 7.863 1.00 45.98 ? 151 GLN H OE1 1 ATOM 1221 N NE2 . GLN A 1 156 ? 7.036 -13.396 9.245 1.00 45.31 ? 151 GLN H NE2 1 ATOM 1222 N N . PRO A 1 157 ? 1.905 -9.750 11.512 1.00 27.68 ? 152 PRO H N 1 ATOM 1223 C CA . PRO A 1 157 ? 0.795 -8.777 11.479 1.00 23.36 ? 152 PRO H CA 1 ATOM 1224 C C . PRO A 1 157 ? 0.712 -8.052 10.143 1.00 21.46 ? 152 PRO H C 1 ATOM 1225 O O . PRO A 1 157 ? 1.728 -7.914 9.442 1.00 22.71 ? 152 PRO H O 1 ATOM 1226 C CB . PRO A 1 157 ? 1.192 -7.757 12.570 1.00 23.09 ? 152 PRO H CB 1 ATOM 1227 C CG . PRO A 1 157 ? 2.685 -7.782 12.593 1.00 24.39 ? 152 PRO H CG 1 ATOM 1228 C CD . PRO A 1 157 ? 3.124 -9.176 12.131 1.00 25.39 ? 152 PRO H CD 1 ATOM 1229 N N A SER A 1 158 ? -0.475 -7.559 9.808 0.50 19.75 ? 153 SER H N 1 ATOM 1230 N N B SER A 1 158 ? -0.478 -7.567 9.798 0.50 19.57 ? 153 SER H N 1 ATOM 1231 C CA A SER A 1 158 ? -0.634 -6.772 8.598 0.50 18.92 ? 153 SER H CA 1 ATOM 1232 C CA B SER A 1 158 ? -0.619 -6.761 8.594 0.50 18.60 ? 153 SER H CA 1 ATOM 1233 C C A SER A 1 158 ? -0.173 -5.328 8.816 0.50 17.85 ? 153 SER H C 1 ATOM 1234 C C B SER A 1 158 ? -0.131 -5.334 8.827 0.50 17.69 ? 153 SER H C 1 ATOM 1235 O O A SER A 1 158 ? 0.339 -4.699 7.898 0.50 17.74 ? 153 SER H O 1 ATOM 1236 O O B SER A 1 158 ? 0.437 -4.721 7.932 0.50 17.71 ? 153 SER H O 1 ATOM 1237 C CB A SER A 1 158 ? -2.087 -6.819 8.116 0.50 18.97 ? 153 SER H CB 1 ATOM 1238 C CB B SER A 1 158 ? -2.066 -6.751 8.089 0.50 18.40 ? 153 SER H CB 1 ATOM 1239 O OG A SER A 1 158 ? -2.952 -6.299 9.105 0.50 20.04 ? 153 SER H OG 1 ATOM 1240 O OG B SER A 1 158 ? -2.209 -5.791 7.053 0.50 18.78 ? 153 SER H OG 1 ATOM 1241 N N . VAL A 1 159 ? -0.366 -4.799 10.025 1.00 16.87 ? 154 VAL H N 1 ATOM 1242 C CA . VAL A 1 159 ? 0.103 -3.419 10.338 1.00 16.68 ? 154 VAL H CA 1 ATOM 1243 C C . VAL A 1 159 ? 0.877 -3.353 11.670 1.00 14.95 ? 154 VAL H C 1 ATOM 1244 O O . VAL A 1 159 ? 0.897 -4.323 12.415 1.00 15.70 ? 154 VAL H O 1 ATOM 1245 C CB . VAL A 1 159 ? -1.050 -2.370 10.357 1.00 15.93 ? 154 VAL H CB 1 ATOM 1246 C CG1 . VAL A 1 159 ? -1.835 -2.370 9.044 1.00 17.53 ? 154 VAL H CG1 1 ATOM 1247 C CG2 . VAL A 1 159 ? -1.964 -2.616 11.545 1.00 16.70 ? 154 VAL H CG2 1 ATOM 1248 N N . LEU A 1 160 ? 1.520 -2.211 11.936 1.00 14.83 ? 155 LEU H N 1 ATOM 1249 C CA . LEU A 1 160 ? 2.293 -2.013 13.155 1.00 13.90 ? 155 LEU H CA 1 ATOM 1250 C C . LEU A 1 160 ? 1.443 -2.377 14.381 1.00 14.08 ? 155 LEU H C 1 ATOM 1251 O O . LEU A 1 160 ? 0.271 -1.989 14.465 1.00 14.24 ? 155 LEU H O 1 ATOM 1252 C CB . LEU A 1 160 ? 2.781 -0.558 13.240 1.00 13.41 ? 155 LEU H CB 1 ATOM 1253 C CG . LEU A 1 160 ? 3.672 -0.163 14.421 1.00 13.69 ? 155 LEU H CG 1 ATOM 1254 C CD1 . LEU A 1 160 ? 5.068 -0.818 14.248 1.00 13.15 ? 155 LEU H CD1 1 ATOM 1255 C CD2 . LEU A 1 160 ? 3.749 1.374 14.497 1.00 13.96 ? 155 LEU H CD2 1 ATOM 1256 N N . GLN A 1 161 ? 2.029 -3.135 15.307 1.00 12.89 ? 156 GLN H N 1 ATOM 1257 C CA . GLN A 1 161 ? 1.355 -3.538 16.537 1.00 13.27 ? 156 GLN H CA 1 ATOM 1258 C C . GLN A 1 161 ? 1.857 -2.741 17.725 1.00 13.38 ? 156 GLN H C 1 ATOM 1259 O O . GLN A 1 161 ? 2.998 -2.274 17.738 1.00 12.83 ? 156 GLN H O 1 ATOM 1260 C CB . GLN A 1 161 ? 1.575 -5.044 16.826 1.00 13.21 ? 156 GLN H CB 1 ATOM 1261 C CG . GLN A 1 161 ? 1.032 -5.978 15.754 1.00 14.16 ? 156 GLN H CG 1 ATOM 1262 C CD . GLN A 1 161 ? -0.484 -5.921 15.629 1.00 15.48 ? 156 GLN H CD 1 ATOM 1263 O OE1 . GLN A 1 161 ? -1.033 -5.429 14.607 1.00 18.42 ? 156 GLN H OE1 1 ATOM 1264 N NE2 . GLN A 1 161 ? -1.167 -6.348 16.661 1.00 13.86 ? 156 GLN H NE2 1 ATOM 1265 N N . VAL A 1 162 ? 1.033 -2.661 18.769 1.00 14.29 ? 157 VAL H N 1 ATOM 1266 C CA . VAL A 1 162 ? 1.381 -1.852 19.930 1.00 14.36 ? 157 VAL H CA 1 ATOM 1267 C C . VAL A 1 162 ? 0.982 -2.624 21.166 1.00 14.78 ? 157 VAL H C 1 ATOM 1268 O O . VAL A 1 162 ? -0.070 -3.259 21.185 1.00 15.37 ? 157 VAL H O 1 ATOM 1269 C CB . VAL A 1 162 ? 0.687 -0.454 19.906 1.00 15.12 ? 157 VAL H CB 1 ATOM 1270 C CG1 . VAL A 1 162 ? -0.823 -0.571 19.824 1.00 16.35 ? 157 VAL H CG1 1 ATOM 1271 C CG2 . VAL A 1 162 ? 1.049 0.336 21.153 1.00 14.69 ? 157 VAL H CG2 1 ATOM 1272 N N . VAL A 1 163 ? 1.815 -2.583 22.187 1.00 14.83 ? 158 VAL H N 1 ATOM 1273 C CA . VAL A 1 163 ? 1.431 -3.143 23.493 1.00 14.89 ? 158 VAL H CA 1 ATOM 1274 C C . VAL A 1 163 ? 1.976 -2.270 24.599 1.00 14.74 ? 158 VAL H C 1 ATOM 1275 O O . VAL A 1 163 ? 3.102 -1.769 24.492 1.00 13.69 ? 158 VAL H O 1 ATOM 1276 C CB . VAL A 1 163 ? 1.868 -4.634 23.652 1.00 15.93 ? 158 VAL H CB 1 ATOM 1277 C CG1 . VAL A 1 163 ? 3.397 -4.764 23.684 1.00 15.34 ? 158 VAL H CG1 1 ATOM 1278 C CG2 . VAL A 1 163 ? 1.229 -5.253 24.889 1.00 17.02 ? 158 VAL H CG2 1 ATOM 1279 N N . ASN A 1 164 ? 1.189 -2.080 25.662 1.00 14.30 ? 159 ASN H N 1 ATOM 1280 C CA . ASN A 1 164 ? 1.645 -1.333 26.842 1.00 15.36 ? 159 ASN H CA 1 ATOM 1281 C C . ASN A 1 164 ? 2.022 -2.323 27.939 1.00 14.77 ? 159 ASN H C 1 ATOM 1282 O O . ASN A 1 164 ? 1.268 -3.268 28.181 1.00 14.80 ? 159 ASN H O 1 ATOM 1283 C CB . ASN A 1 164 ? 0.540 -0.391 27.350 1.00 16.49 ? 159 ASN H CB 1 ATOM 1284 C CG . ASN A 1 164 ? 0.134 0.638 26.302 1.00 18.48 ? 159 ASN H CG 1 ATOM 1285 O OD1 . ASN A 1 164 ? 0.949 1.024 25.447 1.00 17.58 ? 159 ASN H OD1 1 ATOM 1286 N ND2 . ASN A 1 164 ? -1.113 1.105 26.372 1.00 19.71 ? 159 ASN H ND2 1 ATOM 1287 N N . LEU A 1 165 ? 3.178 -2.132 28.574 1.00 13.61 ? 160 LEU H N 1 ATOM 1288 C CA . LEU A 1 165 ? 3.712 -3.132 29.530 1.00 14.55 ? 160 LEU H CA 1 ATOM 1289 C C . LEU A 1 165 ? 4.335 -2.444 30.723 1.00 13.65 ? 160 LEU H C 1 ATOM 1290 O O . LEU A 1 165 ? 4.995 -1.421 30.557 1.00 13.40 ? 160 LEU H O 1 ATOM 1291 C CB . LEU A 1 165 ? 4.771 -4.017 28.858 1.00 15.18 ? 160 LEU H CB 1 ATOM 1292 C CG . LEU A 1 165 ? 4.309 -4.816 27.647 1.00 16.25 ? 160 LEU H CG 1 ATOM 1293 C CD1 . LEU A 1 165 ? 5.510 -5.328 26.860 1.00 17.60 ? 160 LEU H CD1 1 ATOM 1294 C CD2 . LEU A 1 165 ? 3.430 -5.967 28.113 1.00 15.89 ? 160 LEU H CD2 1 ATOM 1295 N N . PRO A 1 166 ? 4.128 -2.992 31.939 1.00 13.59 ? 161 PRO H N 1 ATOM 1296 C CA . PRO A 1 166 ? 4.713 -2.358 33.128 1.00 13.06 ? 161 PRO H CA 1 ATOM 1297 C C . PRO A 1 166 ? 6.175 -2.770 33.324 1.00 13.72 ? 161 PRO H C 1 ATOM 1298 O O . PRO A 1 166 ? 6.552 -3.913 33.004 1.00 12.92 ? 161 PRO H O 1 ATOM 1299 C CB . PRO A 1 166 ? 3.844 -2.909 34.285 1.00 13.55 ? 161 PRO H CB 1 ATOM 1300 C CG . PRO A 1 166 ? 3.391 -4.253 33.793 1.00 13.25 ? 161 PRO H CG 1 ATOM 1301 C CD . PRO A 1 166 ? 3.329 -4.194 32.273 1.00 13.96 ? 161 PRO H CD 1 ATOM 1302 N N . ILE A 1 167 ? 6.979 -1.828 33.808 1.00 12.96 ? 162 ILE H N 1 ATOM 1303 C CA . ILE A 1 167 ? 8.355 -2.079 34.220 1.00 13.56 ? 162 ILE H CA 1 ATOM 1304 C C . ILE A 1 167 ? 8.325 -2.990 35.437 1.00 14.62 ? 162 ILE H C 1 ATOM 1305 O O . ILE A 1 167 ? 7.445 -2.854 36.299 1.00 14.27 ? 162 ILE H O 1 ATOM 1306 C CB . ILE A 1 167 ? 9.075 -0.760 34.534 1.00 12.90 ? 162 ILE H CB 1 ATOM 1307 C CG1 . ILE A 1 167 ? 9.291 -0.001 33.217 1.00 13.80 ? 162 ILE H CG1 1 ATOM 1308 C CG2 . ILE A 1 167 ? 10.444 -1.009 35.179 1.00 12.86 ? 162 ILE H CG2 1 ATOM 1309 C CD1 . ILE A 1 167 ? 9.455 1.474 33.463 1.00 14.92 ? 162 ILE H CD1 1 ATOM 1310 N N . VAL A 1 168 ? 9.247 -3.940 35.487 1.00 15.49 ? 163 VAL H N 1 ATOM 1311 C CA . VAL A 1 168 ? 9.233 -4.946 36.572 1.00 16.11 ? 163 VAL H CA 1 ATOM 1312 C C . VAL A 1 168 ? 10.402 -4.694 37.535 1.00 17.80 ? 163 VAL H C 1 ATOM 1313 O O . VAL A 1 168 ? 11.475 -4.267 37.112 1.00 16.26 ? 163 VAL H O 1 ATOM 1314 C CB . VAL A 1 168 ? 9.224 -6.384 35.972 1.00 15.82 ? 163 VAL H CB 1 ATOM 1315 C CG1 . VAL A 1 168 ? 9.403 -7.459 37.037 1.00 16.43 ? 163 VAL H CG1 1 ATOM 1316 C CG2 . VAL A 1 168 ? 7.913 -6.637 35.228 1.00 15.03 ? 163 VAL H CG2 1 ATOM 1317 N N . GLU A 1 169 ? 10.196 -4.951 38.830 1.00 18.27 ? 164 GLU H N 1 ATOM 1318 C CA . GLU A 1 169 ? 11.224 -4.745 39.840 1.00 20.63 ? 164 GLU H CA 1 ATOM 1319 C C . GLU A 1 169 ? 12.461 -5.568 39.498 1.00 19.73 ? 164 GLU H C 1 ATOM 1320 O O . GLU A 1 169 ? 12.325 -6.705 39.071 1.00 17.98 ? 164 GLU H O 1 ATOM 1321 C CB . GLU A 1 169 ? 10.719 -5.198 41.215 1.00 24.33 ? 164 GLU H CB 1 ATOM 1322 C CG . GLU A 1 169 ? 9.380 -4.618 41.633 1.00 30.51 ? 164 GLU H CG 1 ATOM 1323 C CD . GLU A 1 169 ? 8.180 -5.490 41.258 1.00 36.38 ? 164 GLU H CD 1 ATOM 1324 O OE1 . GLU A 1 169 ? 7.966 -5.832 40.066 1.00 33.29 ? 164 GLU H OE1 1 ATOM 1325 O OE2 . GLU A 1 169 ? 7.404 -5.818 42.182 1.00 44.94 ? 164 GLU H OE2 1 ATOM 1326 N N . ARG A 1 170 ? 13.650 -5.003 39.700 1.00 18.74 ? 165 ARG H N 1 ATOM 1327 C CA . ARG A 1 170 ? 14.898 -5.676 39.319 1.00 19.87 ? 165 ARG H CA 1 ATOM 1328 C C . ARG A 1 170 ? 15.096 -7.112 39.894 1.00 18.98 ? 165 ARG H C 1 ATOM 1329 O O . ARG A 1 170 ? 15.528 -7.986 39.142 1.00 18.11 ? 165 ARG H O 1 ATOM 1330 C CB . ARG A 1 170 ? 16.126 -4.795 39.596 1.00 23.09 ? 165 ARG H CB 1 ATOM 1331 C CG . ARG A 1 170 ? 16.029 -3.396 38.988 1.00 29.00 ? 165 ARG H CG 1 ATOM 1332 C CD . ARG A 1 170 ? 17.390 -2.696 38.914 1.00 34.78 ? 165 ARG H CD 1 ATOM 1333 N NE . ARG A 1 170 ? 18.329 -3.438 38.063 1.00 35.02 ? 165 ARG H NE 1 ATOM 1334 C CZ . ARG A 1 170 ? 18.404 -3.326 36.734 1.00 34.10 ? 165 ARG H CZ 1 ATOM 1335 N NH1 . ARG A 1 170 ? 17.607 -2.491 36.072 1.00 34.46 ? 165 ARG H NH1 1 ATOM 1336 N NH2 . ARG A 1 170 ? 19.282 -4.055 36.066 1.00 30.36 ? 165 ARG H NH2 1 ATOM 1337 N N . PRO A 1 171 ? 14.759 -7.363 41.188 1.00 18.18 ? 166 PRO H N 1 ATOM 1338 C CA . PRO A 1 171 ? 14.922 -8.734 41.718 1.00 18.12 ? 166 PRO H CA 1 ATOM 1339 C C . PRO A 1 171 ? 14.080 -9.770 41.013 1.00 17.43 ? 166 PRO H C 1 ATOM 1340 O O . PRO A 1 171 ? 14.567 -10.888 40.807 1.00 18.39 ? 166 PRO H O 1 ATOM 1341 C CB . PRO A 1 171 ? 14.463 -8.607 43.201 1.00 18.38 ? 166 PRO H CB 1 ATOM 1342 C CG . PRO A 1 171 ? 14.710 -7.175 43.514 1.00 18.73 ? 166 PRO H CG 1 ATOM 1343 C CD . PRO A 1 171 ? 14.280 -6.461 42.258 1.00 18.02 ? 166 PRO H CD 1 ATOM 1344 N N . VAL A 1 172 ? 12.852 -9.400 40.621 1.00 16.46 ? 167 VAL H N 1 ATOM 1345 C CA . VAL A 1 172 ? 11.958 -10.275 39.902 1.00 16.45 ? 167 VAL H CA 1 ATOM 1346 C C . VAL A 1 172 ? 12.548 -10.542 38.498 1.00 16.72 ? 167 VAL H C 1 ATOM 1347 O O . VAL A 1 172 ? 12.587 -11.695 38.046 1.00 16.32 ? 167 VAL H O 1 ATOM 1348 C CB . VAL A 1 172 ? 10.497 -9.699 39.877 1.00 17.27 ? 167 VAL H CB 1 ATOM 1349 C CG1 . VAL A 1 172 ? 9.591 -10.495 38.948 1.00 17.27 ? 167 VAL H CG1 1 ATOM 1350 C CG2 . VAL A 1 172 ? 9.893 -9.649 41.305 1.00 18.45 ? 167 VAL H CG2 1 ATOM 1351 N N . CYS A 1 173 ? 13.058 -9.500 37.831 1.00 15.58 ? 168 CYS H N 1 ATOM 1352 C CA . CYS A 1 173 ? 13.800 -9.717 36.559 1.00 15.24 ? 168 CYS H CA 1 ATOM 1353 C C . CYS A 1 173 ? 14.953 -10.754 36.728 1.00 15.35 ? 168 CYS H C 1 ATOM 1354 O O . CYS A 1 173 ? 15.085 -11.710 35.936 1.00 14.10 ? 168 CYS H O 1 ATOM 1355 C CB . CYS A 1 173 ? 14.385 -8.400 36.044 1.00 15.07 ? 168 CYS H CB 1 ATOM 1356 S SG . CYS A 1 173 ? 13.136 -7.107 35.689 1.00 16.09 ? 168 CYS H SG 1 ATOM 1357 N N . LYS A 1 174 ? 15.754 -10.556 37.771 1.00 16.66 ? 169 LYS H N 1 ATOM 1358 C CA . LYS A 1 174 ? 16.954 -11.357 38.014 1.00 19.35 ? 169 LYS H CA 1 ATOM 1359 C C . LYS A 1 174 ? 16.591 -12.841 38.255 1.00 19.44 ? 169 LYS H C 1 ATOM 1360 O O . LYS A 1 174 ? 17.235 -13.760 37.716 1.00 19.15 ? 169 LYS H O 1 ATOM 1361 C CB . LYS A 1 174 ? 17.692 -10.745 39.201 1.00 23.24 ? 169 LYS H CB 1 ATOM 1362 C CG . LYS A 1 174 ? 19.115 -11.217 39.401 1.00 32.62 ? 169 LYS H CG 1 ATOM 1363 C CD . LYS A 1 174 ? 19.915 -10.244 40.273 1.00 39.39 ? 169 LYS H CD 1 ATOM 1364 C CE . LYS A 1 174 ? 21.246 -10.867 40.697 1.00 45.68 ? 169 LYS H CE 1 ATOM 1365 N NZ . LYS A 1 174 ? 21.036 -12.122 41.489 1.00 46.19 ? 169 LYS H NZ 1 ATOM 1366 N N . ASP A 1 175 ? 15.522 -13.056 39.015 1.00 18.67 ? 170 ASP H N 1 ATOM 1367 C CA . ASP A 1 175 ? 15.064 -14.400 39.399 1.00 19.65 ? 170 ASP H CA 1 ATOM 1368 C C . ASP A 1 175 ? 14.290 -15.153 38.337 1.00 19.17 ? 170 ASP H C 1 ATOM 1369 O O . ASP A 1 175 ? 13.972 -16.339 38.529 1.00 18.50 ? 170 ASP H O 1 ATOM 1370 C CB . ASP A 1 175 ? 14.216 -14.320 40.674 1.00 20.29 ? 170 ASP H CB 1 ATOM 1371 C CG . ASP A 1 175 ? 15.060 -14.081 41.894 1.00 21.21 ? 170 ASP H CG 1 ATOM 1372 O OD1 . ASP A 1 175 ? 16.286 -14.156 41.784 1.00 21.14 ? 170 ASP H OD1 1 ATOM 1373 O OD2 . ASP A 1 175 ? 14.507 -13.837 42.970 1.00 24.22 ? 170 ASP H OD2 1 ATOM 1374 N N . SER A 1 176 ? 13.991 -14.486 37.216 1.00 18.03 ? 171 SER H N 1 ATOM 1375 C CA . SER A 1 176 ? 13.291 -15.137 36.108 1.00 17.19 ? 171 SER H CA 1 ATOM 1376 C C . SER A 1 176 ? 14.234 -15.815 35.119 1.00 17.56 ? 171 SER H C 1 ATOM 1377 O O . SER A 1 176 ? 13.768 -16.493 34.218 1.00 18.64 ? 171 SER H O 1 ATOM 1378 C CB . SER A 1 176 ? 12.405 -14.137 35.336 1.00 17.67 ? 171 SER H CB 1 ATOM 1379 O OG . SER A 1 176 ? 13.211 -13.210 34.596 1.00 17.62 ? 171 SER H OG 1 ATOM 1380 N N . THR A 1 177 ? 15.540 -15.632 35.257 1.00 16.11 ? 172 THR H N 1 ATOM 1381 C CA . THR A 1 177 ? 16.465 -16.052 34.214 1.00 17.45 ? 172 THR H CA 1 ATOM 1382 C C . THR A 1 177 ? 17.827 -16.523 34.770 1.00 17.46 ? 172 THR H C 1 ATOM 1383 O O . THR A 1 177 ? 18.206 -16.151 35.884 1.00 16.50 ? 172 THR H O 1 ATOM 1384 C CB . THR A 1 177 ? 16.704 -14.884 33.214 1.00 16.86 ? 172 THR H CB 1 ATOM 1385 O OG1 . THR A 1 177 ? 17.597 -15.298 32.168 1.00 18.05 ? 172 THR H OG1 1 ATOM 1386 C CG2 . THR A 1 177 ? 17.243 -13.646 33.917 1.00 16.34 ? 172 THR H CG2 1 ATOM 1387 N N . ARG A 1 178 ? 18.553 -17.318 33.992 1.00 18.58 ? 173 ARG H N 1 ATOM 1388 C CA . ARG A 1 178 ? 19.921 -17.683 34.354 1.00 21.04 ? 173 ARG H CA 1 ATOM 1389 C C . ARG A 1 178 ? 20.935 -16.720 33.775 1.00 21.34 ? 173 ARG H C 1 ATOM 1390 O O . ARG A 1 178 ? 22.070 -16.741 34.191 1.00 21.41 ? 173 ARG H O 1 ATOM 1391 C CB . ARG A 1 178 ? 20.265 -19.125 33.925 1.00 23.12 ? 173 ARG H CB 1 ATOM 1392 C CG . ARG A 1 178 ? 19.337 -20.158 34.560 1.00 27.36 ? 173 ARG H CG 1 ATOM 1393 C CD . ARG A 1 178 ? 19.356 -21.506 33.844 1.00 29.04 ? 173 ARG H CD 1 ATOM 1394 N NE . ARG A 1 178 ? 20.550 -22.252 34.214 1.00 31.30 ? 173 ARG H NE 1 ATOM 1395 C CZ . ARG A 1 178 ? 20.661 -23.576 34.167 1.00 32.48 ? 173 ARG H CZ 1 ATOM 1396 N NH1 . ARG A 1 178 ? 19.646 -24.331 33.759 1.00 33.71 ? 173 ARG H NH1 1 ATOM 1397 N NH2 . ARG A 1 178 ? 21.793 -24.140 34.539 1.00 32.86 ? 173 ARG H NH2 1 ATOM 1398 N N . ILE A 1 179 ? 20.529 -15.882 32.816 1.00 21.25 ? 174 ILE H N 1 ATOM 1399 C CA . ILE A 1 179 ? 21.407 -14.846 32.236 1.00 20.64 ? 174 ILE H CA 1 ATOM 1400 C C . ILE A 1 179 ? 21.796 -13.812 33.310 1.00 20.20 ? 174 ILE H C 1 ATOM 1401 O O . ILE A 1 179 ? 20.960 -13.440 34.156 1.00 19.12 ? 174 ILE H O 1 ATOM 1402 C CB . ILE A 1 179 ? 20.749 -14.140 31.005 1.00 21.66 ? 174 ILE H CB 1 ATOM 1403 C CG1 . ILE A 1 179 ? 20.314 -15.155 29.930 1.00 23.80 ? 174 ILE H CG1 1 ATOM 1404 C CG2 . ILE A 1 179 ? 21.689 -13.129 30.349 1.00 22.03 ? 174 ILE H CG2 1 ATOM 1405 C CD1 . ILE A 1 179 ? 21.467 -15.811 29.200 1.00 26.06 ? 174 ILE H CD1 1 ATOM 1406 N N . ARG A 1 180 ? 23.065 -13.389 33.307 1.00 18.72 ? 175 ARG H N 1 ATOM 1407 C CA . ARG A 1 180 ? 23.532 -12.342 34.218 1.00 21.48 ? 175 ARG H CA 1 ATOM 1408 C C . ARG A 1 180 ? 23.021 -10.941 33.787 1.00 20.96 ? 175 ARG H C 1 ATOM 1409 O O . ARG A 1 180 ? 23.457 -10.407 32.757 1.00 22.12 ? 175 ARG H O 1 ATOM 1410 C CB . ARG A 1 180 ? 25.071 -12.320 34.302 1.00 22.57 ? 175 ARG H CB 1 ATOM 1411 C CG . ARG A 1 180 ? 25.599 -11.385 35.392 1.00 26.11 ? 175 ARG H CG 1 ATOM 1412 C CD . ARG A 1 180 ? 27.125 -11.355 35.455 1.00 26.66 ? 175 ARG H CD 1 ATOM 1413 N NE . ARG A 1 180 ? 27.716 -10.984 34.169 1.00 28.77 ? 175 ARG H NE 1 ATOM 1414 C CZ . ARG A 1 180 ? 27.955 -9.734 33.770 1.00 31.30 ? 175 ARG H CZ 1 ATOM 1415 N NH1 . ARG A 1 180 ? 27.683 -8.692 34.556 1.00 31.24 ? 175 ARG H NH1 1 ATOM 1416 N NH2 . ARG A 1 180 ? 28.488 -9.529 32.575 1.00 33.15 ? 175 ARG H NH2 1 ATOM 1417 N N . ILE A 1 181 ? 22.144 -10.351 34.599 1.00 20.00 ? 176 ILE H N 1 ATOM 1418 C CA . ILE A 1 181 ? 21.517 -9.038 34.314 1.00 20.19 ? 176 ILE H CA 1 ATOM 1419 C C . ILE A 1 181 ? 22.494 -7.937 34.721 1.00 20.01 ? 176 ILE H C 1 ATOM 1420 O O . ILE A 1 181 ? 23.233 -8.109 35.701 1.00 22.46 ? 176 ILE H O 1 ATOM 1421 C CB . ILE A 1 181 ? 20.162 -8.924 35.084 1.00 20.54 ? 176 ILE H CB 1 ATOM 1422 C CG1 . ILE A 1 181 ? 19.235 -10.040 34.618 1.00 21.58 ? 176 ILE H CG1 1 ATOM 1423 C CG2 . ILE A 1 181 ? 19.414 -7.634 34.800 1.00 23.98 ? 176 ILE H CG2 1 ATOM 1424 C CD1 . ILE A 1 181 ? 19.438 -10.400 33.168 1.00 20.97 ? 176 ILE H CD1 1 ATOM 1425 N N . THR A 1 182 ? 22.531 -6.818 33.988 1.00 16.81 ? 177 THR H N 1 ATOM 1426 C CA . THR A 1 182 ? 23.400 -5.694 34.381 1.00 15.57 ? 177 THR H CA 1 ATOM 1427 C C . THR A 1 182 ? 22.555 -4.435 34.574 1.00 15.75 ? 177 THR H C 1 ATOM 1428 O O . THR A 1 182 ? 21.355 -4.455 34.272 1.00 14.61 ? 177 THR H O 1 ATOM 1429 C CB . THR A 1 182 ? 24.464 -5.360 33.306 1.00 15.47 ? 177 THR H CB 1 ATOM 1430 O OG1 . THR A 1 182 ? 23.810 -4.796 32.152 1.00 14.61 ? 177 THR H OG1 1 ATOM 1431 C CG2 . THR A 1 182 ? 25.244 -6.596 32.877 1.00 15.64 ? 177 THR H CG2 1 ATOM 1432 N N . ASP A 1 183 ? 23.195 -3.364 35.052 1.00 15.35 ? 178 ASP H N 1 ATOM 1433 C CA . ASP A 1 183 ? 22.571 -2.039 35.215 1.00 17.23 ? 178 ASP H CA 1 ATOM 1434 C C . ASP A 1 183 ? 22.179 -1.397 33.875 1.00 15.79 ? 178 ASP H C 1 ATOM 1435 O O . ASP A 1 183 ? 21.448 -0.413 33.858 1.00 16.64 ? 178 ASP H O 1 ATOM 1436 C CB . ASP A 1 183 ? 23.533 -1.077 35.935 1.00 19.38 ? 178 ASP H CB 1 ATOM 1437 C CG . ASP A 1 183 ? 23.734 -1.422 37.436 1.00 23.16 ? 178 ASP H CG 1 ATOM 1438 O OD1 . ASP A 1 183 ? 23.086 -2.346 37.947 1.00 21.51 ? 178 ASP H OD1 1 ATOM 1439 O OD2 . ASP A 1 183 ? 24.556 -0.740 38.090 1.00 26.23 ? 178 ASP H OD2 1 ATOM 1440 N N . ASN A 1 184 ? 22.699 -1.923 32.765 1.00 14.73 ? 179 ASN H N 1 ATOM 1441 C CA . ASN A 1 184 ? 22.335 -1.423 31.431 1.00 13.99 ? 179 ASN H CA 1 ATOM 1442 C C . ASN A 1 184 ? 21.091 -2.061 30.827 1.00 13.05 ? 179 ASN H C 1 ATOM 1443 O O . ASN A 1 184 ? 20.815 -1.883 29.642 1.00 12.38 ? 179 ASN H O 1 ATOM 1444 C CB . ASN A 1 184 ? 23.528 -1.603 30.498 1.00 14.36 ? 179 ASN H CB 1 ATOM 1445 C CG . ASN A 1 184 ? 24.767 -0.981 31.074 1.00 15.75 ? 179 ASN H CG 1 ATOM 1446 O OD1 . ASN A 1 184 ? 24.724 0.163 31.512 1.00 15.67 ? 179 ASN H OD1 1 ATOM 1447 N ND2 . ASN A 1 184 ? 25.860 -1.750 31.139 1.00 15.97 ? 179 ASN H ND2 1 ATOM 1448 N N . MET A 1 185 ? 20.374 -2.839 31.625 1.00 12.79 ? 180 MET H N 1 ATOM 1449 C CA . MET A 1 185 ? 19.142 -3.523 31.195 1.00 13.49 ? 180 MET H CA 1 ATOM 1450 C C . MET A 1 185 ? 18.037 -3.223 32.175 1.00 13.61 ? 180 MET H C 1 ATOM 1451 O O . MET A 1 185 ? 18.325 -2.950 33.334 1.00 15.54 ? 180 MET H O 1 ATOM 1452 C CB . MET A 1 185 ? 19.319 -5.048 31.243 1.00 13.60 ? 180 MET H CB 1 ATOM 1453 C CG . MET A 1 185 ? 20.492 -5.550 30.462 1.00 14.72 ? 180 MET H CG 1 ATOM 1454 S SD . MET A 1 185 ? 20.680 -7.304 30.750 1.00 15.33 ? 180 MET H SD 1 ATOM 1455 C CE . MET A 1 185 ? 22.273 -7.422 29.959 1.00 15.62 ? 180 MET H CE 1 ATOM 1456 N N . PHE A 1 186 ? 16.785 -3.290 31.718 1.00 12.92 ? 181 PHE H N 1 ATOM 1457 C CA . PHE A 1 186 ? 15.658 -3.404 32.627 1.00 13.21 ? 181 PHE H CA 1 ATOM 1458 C C . PHE A 1 186 ? 14.705 -4.427 32.002 1.00 13.31 ? 181 PHE H C 1 ATOM 1459 O O . PHE A 1 186 ? 14.797 -4.714 30.792 1.00 11.97 ? 181 PHE H O 1 ATOM 1460 C CB . PHE A 1 186 ? 14.987 -2.030 32.947 1.00 12.75 ? 181 PHE H CB 1 ATOM 1461 C CG . PHE A 1 186 ? 14.314 -1.347 31.760 1.00 13.94 ? 181 PHE H CG 1 ATOM 1462 C CD1 . PHE A 1 186 ? 12.977 -1.636 31.422 1.00 13.99 ? 181 PHE H CD1 1 ATOM 1463 C CD2 . PHE A 1 186 ? 15.014 -0.391 30.992 1.00 14.09 ? 181 PHE H CD2 1 ATOM 1464 C CE1 . PHE A 1 186 ? 12.358 -1.005 30.342 1.00 15.37 ? 181 PHE H CE1 1 ATOM 1465 C CE2 . PHE A 1 186 ? 14.391 0.257 29.917 1.00 15.04 ? 181 PHE H CE2 1 ATOM 1466 C CZ . PHE A 1 186 ? 13.065 -0.054 29.588 1.00 15.27 ? 181 PHE H CZ 1 ATOM 1467 N N . CYS A 1 187 ? 13.795 -4.984 32.803 1.00 13.20 ? 182 CYS H N 1 ATOM 1468 C CA . CYS A 1 187 ? 12.817 -5.902 32.217 1.00 13.52 ? 182 CYS H CA 1 ATOM 1469 C C . CYS A 1 187 ? 11.391 -5.350 32.379 1.00 13.55 ? 182 CYS H C 1 ATOM 1470 O O . CYS A 1 187 ? 11.156 -4.454 33.193 1.00 12.79 ? 182 CYS H O 1 ATOM 1471 C CB . CYS A 1 187 ? 13.005 -7.345 32.724 1.00 14.71 ? 182 CYS H CB 1 ATOM 1472 S SG . CYS A 1 187 ? 12.099 -7.862 34.205 1.00 15.72 ? 182 CYS H SG 1 ATOM 1473 N N . ALA A 1 188 ? 10.482 -5.838 31.544 1.00 13.06 ? 183 ALA H N 1 ATOM 1474 C CA . ALA A 1 188 ? 9.097 -5.380 31.548 1.00 13.10 ? 183 ALA H CA 1 ATOM 1475 C C . ALA A 1 188 ? 8.147 -6.514 31.145 1.00 13.78 ? 183 ALA H C 1 ATOM 1476 O O . ALA A 1 188 ? 8.501 -7.420 30.368 1.00 14.35 ? 183 ALA H O 1 ATOM 1477 C CB . ALA A 1 188 ? 8.910 -4.184 30.612 1.00 12.84 ? 183 ALA H CB 1 ATOM 1478 N N . GLY A 1 189 ? 6.923 -6.437 31.653 1.00 13.13 ? 184 GLY H N 1 ATOM 1479 C CA . GLY A 1 189 ? 5.879 -7.384 31.288 1.00 13.82 ? 184 GLY H CA 1 ATOM 1480 C C . GLY A 1 189 ? 5.031 -7.677 32.502 1.00 14.76 ? 184 GLY H C 1 ATOM 1481 O O . GLY A 1 189 ? 5.355 -7.275 33.606 1.00 13.77 ? 184 GLY H O 1 ATOM 1482 N N . TYR A 1 190 A 3.903 -8.323 32.270 1.00 16.55 ? 184 TYR H N 1 ATOM 1483 C CA . TYR A 1 190 A 3.034 -8.721 33.345 1.00 18.36 ? 184 TYR H CA 1 ATOM 1484 C C . TYR A 1 190 A 3.549 -10.010 33.971 1.00 20.05 ? 184 TYR H C 1 ATOM 1485 O O . TYR A 1 190 A 4.140 -10.851 33.289 1.00 20.44 ? 184 TYR H O 1 ATOM 1486 C CB . TYR A 1 190 A 1.632 -8.941 32.792 1.00 18.69 ? 184 TYR H CB 1 ATOM 1487 C CG . TYR A 1 190 A 1.003 -7.648 32.350 1.00 19.22 ? 184 TYR H CG 1 ATOM 1488 C CD1 . TYR A 1 190 A 0.536 -6.735 33.295 1.00 20.78 ? 184 TYR H CD1 1 ATOM 1489 C CD2 . TYR A 1 190 A 0.901 -7.319 30.998 1.00 20.53 ? 184 TYR H CD2 1 ATOM 1490 C CE1 . TYR A 1 190 A -0.040 -5.527 32.911 1.00 21.41 ? 184 TYR H CE1 1 ATOM 1491 C CE2 . TYR A 1 190 A 0.316 -6.116 30.600 1.00 20.99 ? 184 TYR H CE2 1 ATOM 1492 C CZ . TYR A 1 190 A -0.152 -5.234 31.565 1.00 22.13 ? 184 TYR H CZ 1 ATOM 1493 O OH . TYR A 1 190 A -0.732 -4.039 31.207 1.00 23.56 ? 184 TYR H OH 1 ATOM 1494 N N . LYS A 1 191 ? 3.309 -10.115 35.272 1.00 22.10 ? 185 LYS H N 1 ATOM 1495 C CA . LYS A 1 191 ? 3.558 -11.296 36.088 1.00 25.63 ? 185 LYS H CA 1 ATOM 1496 C C . LYS A 1 191 ? 2.464 -12.321 35.819 1.00 27.31 ? 185 LYS H C 1 ATOM 1497 O O . LYS A 1 191 ? 1.386 -11.954 35.337 1.00 26.86 ? 185 LYS H O 1 ATOM 1498 C CB . LYS A 1 191 ? 3.564 -10.892 37.568 1.00 25.67 ? 185 LYS H CB 1 ATOM 1499 C CG . LYS A 1 191 ? 4.792 -10.060 37.897 1.00 27.77 ? 185 LYS H CG 1 ATOM 1500 C CD . LYS A 1 191 ? 4.677 -9.269 39.169 1.00 29.98 ? 185 LYS H CD 1 ATOM 1501 C CE . LYS A 1 191 ? 5.894 -8.374 39.291 1.00 32.40 ? 185 LYS H CE 1 ATOM 1502 N NZ . LYS A 1 191 ? 5.654 -7.357 40.343 1.00 37.33 ? 185 LYS H NZ 1 ATOM 1503 N N . PRO A 1 192 ? 2.733 -13.610 36.114 1.00 30.39 ? 186 PRO H N 1 ATOM 1504 C CA . PRO A 1 192 ? 1.730 -14.628 35.775 1.00 33.45 ? 186 PRO H CA 1 ATOM 1505 C C . PRO A 1 192 ? 0.389 -14.432 36.492 1.00 34.81 ? 186 PRO H C 1 ATOM 1506 O O . PRO A 1 192 ? -0.645 -14.835 35.959 1.00 36.31 ? 186 PRO H O 1 ATOM 1507 C CB . PRO A 1 192 ? 2.407 -15.947 36.185 1.00 33.16 ? 186 PRO H CB 1 ATOM 1508 C CG . PRO A 1 192 ? 3.864 -15.646 36.166 1.00 31.81 ? 186 PRO H CG 1 ATOM 1509 C CD . PRO A 1 192 ? 3.971 -14.219 36.635 1.00 31.18 ? 186 PRO H CD 1 ATOM 1510 N N . ASP A 1 193 A 0.399 -13.784 37.658 1.00 39.01 ? 186 ASP H N 1 ATOM 1511 C CA . ASP A 1 193 A -0.836 -13.618 38.441 1.00 42.91 ? 186 ASP H CA 1 ATOM 1512 C C . ASP A 1 193 A -1.717 -12.441 37.990 1.00 45.38 ? 186 ASP H C 1 ATOM 1513 O O . ASP A 1 193 A -2.876 -12.331 38.407 1.00 46.59 ? 186 ASP H O 1 ATOM 1514 C CB . ASP A 1 193 A -0.548 -13.583 39.963 1.00 43.50 ? 186 ASP H CB 1 ATOM 1515 C CG . ASP A 1 193 A 0.260 -12.358 40.412 0.50 45.49 ? 186 ASP H CG 1 ATOM 1516 O OD1 . ASP A 1 193 A 0.411 -11.378 39.652 0.50 45.78 ? 186 ASP H OD1 1 ATOM 1517 O OD2 . ASP A 1 193 A 0.744 -12.379 41.564 0.50 46.12 ? 186 ASP H OD2 1 ATOM 1518 N N . GLU A 1 194 B -1.172 -11.590 37.119 1.00 41.98 ? 186 GLU H N 1 ATOM 1519 C CA . GLU A 1 194 B -1.790 -10.307 36.783 1.00 40.15 ? 186 GLU H CA 1 ATOM 1520 C C . GLU A 1 194 B -2.898 -10.376 35.740 1.00 40.14 ? 186 GLU H C 1 ATOM 1521 O O . GLU A 1 194 B -3.604 -9.390 35.529 1.00 43.09 ? 186 GLU H O 1 ATOM 1522 C CB . GLU A 1 194 B -0.724 -9.261 36.396 1.00 40.87 ? 186 GLU H CB 1 ATOM 1523 C CG . GLU A 1 194 B 0.117 -8.802 37.583 1.00 42.00 ? 186 GLU H CG 1 ATOM 1524 C CD . GLU A 1 194 B 1.096 -7.689 37.259 1.00 43.01 ? 186 GLU H CD 1 ATOM 1525 O OE1 . GLU A 1 194 B 2.053 -7.908 36.489 1.00 40.07 ? 186 GLU H OE1 1 ATOM 1526 O OE2 . GLU A 1 194 B 0.918 -6.587 37.799 1.00 46.64 ? 186 GLU H OE2 1 ATOM 1527 N N . GLY A 1 195 C -3.064 -11.518 35.083 1.00 38.43 ? 186 GLY H N 1 ATOM 1528 C CA . GLY A 1 195 C -4.166 -11.675 34.131 1.00 40.34 ? 186 GLY H CA 1 ATOM 1529 C C . GLY A 1 195 C -4.181 -10.822 32.860 1.00 42.70 ? 186 GLY H C 1 ATOM 1530 O O . GLY A 1 195 C -5.139 -10.878 32.089 1.00 46.62 ? 186 GLY H O 1 ATOM 1531 N N . LYS A 1 196 D -3.143 -10.016 32.644 1.00 39.33 ? 186 LYS H N 1 ATOM 1532 C CA . LYS A 1 196 D -2.899 -9.383 31.346 1.00 32.69 ? 186 LYS H CA 1 ATOM 1533 C C . LYS A 1 196 D -1.615 -9.991 30.740 1.00 29.91 ? 186 LYS H C 1 ATOM 1534 O O . LYS A 1 196 D -0.758 -10.480 31.470 1.00 28.89 ? 186 LYS H O 1 ATOM 1535 C CB . LYS A 1 196 D -2.759 -7.866 31.513 1.00 34.97 ? 186 LYS H CB 1 ATOM 1536 C CG . LYS A 1 196 D -4.067 -7.108 31.622 1.00 34.63 ? 186 LYS H CG 1 ATOM 1537 C CD . LYS A 1 196 D -3.926 -5.737 30.971 0.50 35.52 ? 186 LYS H CD 1 ATOM 1538 C CE . LYS A 1 196 D -5.238 -4.971 30.931 0.50 35.71 ? 186 LYS H CE 1 ATOM 1539 N NZ . LYS A 1 196 D -5.664 -4.508 32.282 0.50 35.30 ? 186 LYS H NZ 1 ATOM 1540 N N . ARG A 1 197 ? -1.490 -9.972 29.411 1.00 26.53 ? 187 ARG H N 1 ATOM 1541 C CA . ARG A 1 197 ? -0.349 -10.581 28.725 1.00 24.67 ? 187 ARG H CA 1 ATOM 1542 C C . ARG A 1 197 ? 0.351 -9.578 27.817 1.00 21.41 ? 187 ARG H C 1 ATOM 1543 O O . ARG A 1 197 ? -0.065 -8.419 27.695 1.00 20.61 ? 187 ARG H O 1 ATOM 1544 C CB . ARG A 1 197 ? -0.822 -11.753 27.847 1.00 25.09 ? 187 ARG H CB 1 ATOM 1545 C CG . ARG A 1 197 ? -1.529 -12.863 28.597 1.00 27.21 ? 187 ARG H CG 1 ATOM 1546 C CD . ARG A 1 197 ? -1.532 -14.143 27.781 1.00 26.53 ? 187 ARG H CD 1 ATOM 1547 N NE . ARG A 1 197 ? -0.209 -14.765 27.780 1.00 28.32 ? 187 ARG H NE 1 ATOM 1548 C CZ . ARG A 1 197 ? 0.308 -15.434 28.808 1.00 29.16 ? 187 ARG H CZ 1 ATOM 1549 N NH1 . ARG A 1 197 ? -0.375 -15.572 29.949 1.00 28.76 ? 187 ARG H NH1 1 ATOM 1550 N NH2 . ARG A 1 197 ? 1.524 -15.951 28.696 1.00 30.29 ? 187 ARG H NH2 1 ATOM 1551 N N . GLY A 1 198 ? 1.377 -10.039 27.119 1.00 19.00 ? 188 GLY H N 1 ATOM 1552 C CA . GLY A 1 198 ? 1.960 -9.211 26.078 1.00 17.56 ? 188 GLY H CA 1 ATOM 1553 C C . GLY A 1 198 ? 3.466 -9.170 26.136 1.00 15.61 ? 188 GLY H C 1 ATOM 1554 O O . GLY A 1 198 ? 4.044 -9.183 27.211 1.00 16.06 ? 188 GLY H O 1 ATOM 1555 N N . ASP A 1 199 ? 4.106 -9.083 24.981 1.00 14.21 ? 189 ASP H N 1 ATOM 1556 C CA . ASP A 1 199 ? 5.576 -9.122 24.944 1.00 14.68 ? 189 ASP H CA 1 ATOM 1557 C C . ASP A 1 199 ? 5.985 -8.718 23.542 1.00 14.17 ? 189 ASP H C 1 ATOM 1558 O O . ASP A 1 199 ? 5.161 -8.739 22.631 1.00 14.63 ? 189 ASP H O 1 ATOM 1559 C CB . ASP A 1 199 ? 6.055 -10.552 25.225 1.00 14.07 ? 189 ASP H CB 1 ATOM 1560 C CG . ASP A 1 199 ? 7.547 -10.653 25.580 1.00 15.77 ? 189 ASP H CG 1 ATOM 1561 O OD1 . ASP A 1 199 ? 8.271 -9.624 25.681 1.00 14.43 ? 189 ASP H OD1 1 ATOM 1562 O OD2 . ASP A 1 199 ? 7.997 -11.819 25.758 1.00 15.82 ? 189 ASP H OD2 1 ATOM 1563 N N . ALA A 1 200 ? 7.247 -8.346 23.372 1.00 13.40 ? 190 ALA H N 1 ATOM 1564 C CA . ALA A 1 200 ? 7.831 -8.288 22.047 1.00 14.66 ? 190 ALA H CA 1 ATOM 1565 C C . ALA A 1 200 ? 8.159 -9.724 21.612 1.00 15.34 ? 190 ALA H C 1 ATOM 1566 O O . ALA A 1 200 ? 8.206 -10.631 22.434 1.00 15.52 ? 190 ALA H O 1 ATOM 1567 C CB . ALA A 1 200 ? 9.109 -7.452 22.051 1.00 14.68 ? 190 ALA H CB 1 ATOM 1568 N N . CYS A 1 201 ? 8.394 -9.917 20.322 1.00 16.72 ? 191 CYS H N 1 ATOM 1569 C CA . CYS A 1 201 ? 8.753 -11.240 19.811 1.00 18.38 ? 191 CYS H CA 1 ATOM 1570 C C . CYS A 1 201 ? 9.754 -11.069 18.651 1.00 19.46 ? 191 CYS H C 1 ATOM 1571 O O . CYS A 1 201 ? 10.228 -9.940 18.401 1.00 18.93 ? 191 CYS H O 1 ATOM 1572 C CB . CYS A 1 201 ? 7.482 -11.987 19.397 1.00 18.85 ? 191 CYS H CB 1 ATOM 1573 S SG . CYS A 1 201 ? 7.692 -13.796 19.326 1.00 20.56 ? 191 CYS H SG 1 ATOM 1574 N N . GLU A 1 202 ? 10.109 -12.168 17.973 1.00 19.16 ? 192 GLU H N 1 ATOM 1575 C CA . GLU A 1 202 ? 11.065 -12.119 16.875 1.00 19.06 ? 192 GLU H CA 1 ATOM 1576 C C . GLU A 1 202 ? 10.672 -11.053 15.860 1.00 18.72 ? 192 GLU H C 1 ATOM 1577 O O . GLU A 1 202 ? 9.525 -11.014 15.432 1.00 17.99 ? 192 GLU H O 1 ATOM 1578 C CB . GLU A 1 202 ? 11.118 -13.480 16.161 1.00 22.03 ? 192 GLU H CB 1 ATOM 1579 C CG . GLU A 1 202 ? 12.264 -13.580 15.174 0.50 23.25 ? 192 GLU H CG 1 ATOM 1580 C CD . GLU A 1 202 ? 12.376 -14.952 14.558 0.50 25.67 ? 192 GLU H CD 1 ATOM 1581 O OE1 . GLU A 1 202 ? 12.155 -15.947 15.283 0.50 26.35 ? 192 GLU H OE1 1 ATOM 1582 O OE2 . GLU A 1 202 ? 12.690 -15.025 13.348 0.50 27.33 ? 192 GLU H OE2 1 ATOM 1583 N N . GLY A 1 203 ? 11.619 -10.195 15.468 1.00 17.13 ? 193 GLY H N 1 ATOM 1584 C CA . GLY A 1 203 ? 11.347 -9.162 14.480 1.00 16.24 ? 193 GLY H CA 1 ATOM 1585 C C . GLY A 1 203 ? 11.058 -7.810 15.138 1.00 15.66 ? 193 GLY H C 1 ATOM 1586 O O . GLY A 1 203 ? 11.169 -6.796 14.477 1.00 15.52 ? 193 GLY H O 1 ATOM 1587 N N . ASP A 1 204 ? 10.701 -7.800 16.429 1.00 14.51 ? 194 ASP H N 1 ATOM 1588 C CA . ASP A 1 204 ? 10.545 -6.553 17.212 1.00 13.16 ? 194 ASP H CA 1 ATOM 1589 C C . ASP A 1 204 ? 11.842 -5.991 17.791 1.00 13.04 ? 194 ASP H C 1 ATOM 1590 O O . ASP A 1 204 ? 11.872 -4.829 18.199 1.00 12.09 ? 194 ASP H O 1 ATOM 1591 C CB . ASP A 1 204 ? 9.583 -6.783 18.380 1.00 13.30 ? 194 ASP H CB 1 ATOM 1592 C CG . ASP A 1 204 ? 8.167 -7.104 17.899 1.00 13.84 ? 194 ASP H CG 1 ATOM 1593 O OD1 . ASP A 1 204 ? 7.721 -6.421 16.938 1.00 14.14 ? 194 ASP H OD1 1 ATOM 1594 O OD2 . ASP A 1 204 ? 7.506 -7.992 18.487 1.00 13.75 ? 194 ASP H OD2 1 ATOM 1595 N N . SER A 1 205 ? 12.889 -6.820 17.870 1.00 12.90 ? 195 SER H N 1 ATOM 1596 C CA . SER A 1 205 ? 14.195 -6.392 18.432 1.00 13.48 ? 195 SER H CA 1 ATOM 1597 C C . SER A 1 205 ? 14.677 -5.099 17.822 1.00 12.28 ? 195 SER H C 1 ATOM 1598 O O . SER A 1 205 ? 14.494 -4.886 16.635 1.00 11.44 ? 195 SER H O 1 ATOM 1599 C CB . SER A 1 205 ? 15.282 -7.463 18.194 1.00 15.86 ? 195 SER H CB 1 ATOM 1600 O OG . SER A 1 205 ? 14.971 -8.651 18.888 1.00 19.67 ? 195 SER H OG 1 ATOM 1601 N N . GLY A 1 206 ? 15.319 -4.274 18.645 1.00 11.68 ? 196 GLY H N 1 ATOM 1602 C CA . GLY A 1 206 ? 15.867 -2.998 18.225 1.00 11.23 ? 196 GLY H CA 1 ATOM 1603 C C . GLY A 1 206 ? 14.846 -1.881 18.269 1.00 11.17 ? 196 GLY H C 1 ATOM 1604 O O . GLY A 1 206 ? 15.226 -0.733 18.183 1.00 11.61 ? 196 GLY H O 1 ATOM 1605 N N . GLY A 1 207 ? 13.560 -2.224 18.411 1.00 11.49 ? 197 GLY H N 1 ATOM 1606 C CA . GLY A 1 207 ? 12.479 -1.230 18.483 1.00 11.80 ? 197 GLY H CA 1 ATOM 1607 C C . GLY A 1 207 ? 12.422 -0.513 19.838 1.00 12.11 ? 197 GLY H C 1 ATOM 1608 O O . GLY A 1 207 ? 13.107 -0.896 20.785 1.00 11.93 ? 197 GLY H O 1 ATOM 1609 N N . PRO A 1 208 ? 11.611 0.551 19.937 1.00 12.19 ? 198 PRO H N 1 ATOM 1610 C CA . PRO A 1 208 ? 11.597 1.435 21.106 1.00 11.42 ? 198 PRO H CA 1 ATOM 1611 C C . PRO A 1 208 ? 10.624 1.021 22.186 1.00 11.34 ? 198 PRO H C 1 ATOM 1612 O O . PRO A 1 208 ? 9.519 0.526 21.897 1.00 12.32 ? 198 PRO H O 1 ATOM 1613 C CB . PRO A 1 208 ? 11.115 2.781 20.508 1.00 12.76 ? 198 PRO H CB 1 ATOM 1614 C CG . PRO A 1 208 ? 10.246 2.373 19.357 1.00 12.05 ? 198 PRO H CG 1 ATOM 1615 C CD . PRO A 1 208 ? 10.850 1.110 18.807 1.00 12.13 ? 198 PRO H CD 1 ATOM 1616 N N . PHE A 1 209 ? 11.046 1.224 23.424 1.00 9.83 ? 199 PHE H N 1 ATOM 1617 C CA . PHE A 1 209 ? 10.152 1.121 24.583 1.00 9.76 ? 199 PHE H CA 1 ATOM 1618 C C . PHE A 1 209 ? 9.997 2.584 24.981 1.00 8.78 ? 199 PHE H C 1 ATOM 1619 O O . PHE A 1 209 ? 10.991 3.242 25.326 1.00 7.81 ? 199 PHE H O 1 ATOM 1620 C CB . PHE A 1 209 ? 10.818 0.288 25.668 1.00 9.92 ? 199 PHE H CB 1 ATOM 1621 C CG . PHE A 1 209 ? 10.038 0.206 26.958 1.00 11.23 ? 199 PHE H CG 1 ATOM 1622 C CD1 . PHE A 1 209 ? 10.080 1.247 27.890 1.00 11.97 ? 199 PHE H CD1 1 ATOM 1623 C CD2 . PHE A 1 209 ? 9.269 -0.912 27.233 1.00 12.24 ? 199 PHE H CD2 1 ATOM 1624 C CE1 . PHE A 1 209 ? 9.367 1.179 29.094 1.00 12.86 ? 199 PHE H CE1 1 ATOM 1625 C CE2 . PHE A 1 209 ? 8.524 -0.987 28.425 1.00 13.16 ? 199 PHE H CE2 1 ATOM 1626 C CZ . PHE A 1 209 ? 8.578 0.047 29.356 1.00 12.93 ? 199 PHE H CZ 1 ATOM 1627 N N . VAL A 1 210 ? 8.793 3.133 24.842 1.00 8.82 ? 200 VAL H N 1 ATOM 1628 C CA . VAL A 1 210 ? 8.639 4.594 25.106 1.00 9.27 ? 200 VAL H CA 1 ATOM 1629 C C . VAL A 1 210 ? 7.694 4.851 26.283 1.00 10.41 ? 200 VAL H C 1 ATOM 1630 O O . VAL A 1 210 ? 6.841 4.001 26.620 1.00 10.27 ? 200 VAL H O 1 ATOM 1631 C CB . VAL A 1 210 ? 8.154 5.412 23.868 1.00 9.62 ? 200 VAL H CB 1 ATOM 1632 C CG1 . VAL A 1 210 ? 9.211 5.328 22.747 1.00 9.05 ? 200 VAL H CG1 1 ATOM 1633 C CG2 . VAL A 1 210 ? 6.796 4.925 23.368 1.00 9.64 ? 200 VAL H CG2 1 ATOM 1634 N N . MET A 1 211 ? 7.844 6.030 26.882 1.00 10.16 ? 201 MET H N 1 ATOM 1635 C CA . MET A 1 211 ? 6.938 6.462 27.932 1.00 11.46 ? 201 MET H CA 1 ATOM 1636 C C . MET A 1 211 ? 6.558 7.907 27.669 1.00 11.43 ? 201 MET H C 1 ATOM 1637 O O . MET A 1 211 ? 7.357 8.654 27.140 1.00 10.47 ? 201 MET H O 1 ATOM 1638 C CB . MET A 1 211 ? 7.627 6.341 29.297 1.00 12.31 ? 201 MET H CB 1 ATOM 1639 C CG . MET A 1 211 ? 7.994 4.903 29.639 1.00 14.18 ? 201 MET H CG 1 ATOM 1640 S SD . MET A 1 211 ? 8.860 4.698 31.189 1.00 15.80 ? 201 MET H SD 1 ATOM 1641 C CE . MET A 1 211 ? 7.450 4.532 32.292 1.00 16.21 ? 201 MET H CE 1 ATOM 1642 N N . LYS A 1 212 ? 5.356 8.322 28.088 1.00 11.97 ? 202 LYS H N 1 ATOM 1643 C CA . LYS A 1 212 ? 4.983 9.729 27.866 1.00 12.58 ? 202 LYS H CA 1 ATOM 1644 C C . LYS A 1 212 ? 5.101 10.493 29.184 1.00 13.32 ? 202 LYS H C 1 ATOM 1645 O O . LYS A 1 212 ? 4.479 10.103 30.178 1.00 13.72 ? 202 LYS H O 1 ATOM 1646 C CB . LYS A 1 212 ? 3.553 9.810 27.306 1.00 12.29 ? 202 LYS H CB 1 ATOM 1647 C CG . LYS A 1 212 ? 3.001 11.244 27.193 1.00 13.11 ? 202 LYS H CG 1 ATOM 1648 C CD . LYS A 1 212 ? 1.693 11.255 26.401 1.00 12.51 ? 202 LYS H CD 1 ATOM 1649 C CE . LYS A 1 212 ? 1.125 12.682 26.356 1.00 12.96 ? 202 LYS H CE 1 ATOM 1650 N NZ . LYS A 1 212 ? 0.107 12.816 25.285 1.00 12.43 ? 202 LYS H NZ 1 ATOM 1651 N N . SER A 1 213 ? 5.925 11.535 29.219 1.00 13.51 ? 203 SER H N 1 ATOM 1652 C CA . SER A 1 213 ? 6.093 12.274 30.448 1.00 15.26 ? 203 SER H CA 1 ATOM 1653 C C . SER A 1 213 ? 4.801 12.998 30.838 1.00 15.71 ? 203 SER H C 1 ATOM 1654 O O . SER A 1 213 ? 4.235 13.720 30.038 1.00 15.54 ? 203 SER H O 1 ATOM 1655 C CB . SER A 1 213 ? 7.223 13.296 30.331 1.00 16.38 ? 203 SER H CB 1 ATOM 1656 O OG . SER A 1 213 ? 7.134 14.230 31.410 1.00 18.61 ? 203 SER H OG 1 ATOM 1657 N N . PRO A 1 214 ? 4.353 12.830 32.096 1.00 15.88 ? 204 PRO H N 1 ATOM 1658 C CA . PRO A 1 214 ? 3.186 13.626 32.533 1.00 16.31 ? 204 PRO H CA 1 ATOM 1659 C C . PRO A 1 214 ? 3.540 15.087 32.885 1.00 17.00 ? 204 PRO H C 1 ATOM 1660 O O . PRO A 1 214 ? 2.641 15.878 33.124 1.00 18.47 ? 204 PRO H O 1 ATOM 1661 C CB . PRO A 1 214 ? 2.695 12.861 33.781 1.00 16.07 ? 204 PRO H CB 1 ATOM 1662 C CG . PRO A 1 214 ? 3.959 12.274 34.340 1.00 15.93 ? 204 PRO H CG 1 ATOM 1663 C CD . PRO A 1 214 ? 4.851 11.937 33.151 1.00 15.39 ? 204 PRO H CD 1 ATOM 1664 N N . PHE A 1 215 A 4.822 15.435 32.884 1.00 16.02 ? 204 PHE H N 1 ATOM 1665 C CA . PHE A 1 215 A 5.293 16.796 33.161 1.00 17.28 ? 204 PHE H CA 1 ATOM 1666 C C . PHE A 1 215 A 5.254 17.705 31.968 1.00 17.50 ? 204 PHE H C 1 ATOM 1667 O O . PHE A 1 215 A 4.825 18.846 32.082 1.00 15.86 ? 204 PHE H O 1 ATOM 1668 C CB . PHE A 1 215 A 6.707 16.774 33.755 1.00 18.45 ? 204 PHE H CB 1 ATOM 1669 C CG . PHE A 1 215 A 6.818 15.863 34.936 1.00 22.43 ? 204 PHE H CG 1 ATOM 1670 C CD1 . PHE A 1 215 A 6.338 16.261 36.194 1.00 23.73 ? 204 PHE H CD1 1 ATOM 1671 C CD2 . PHE A 1 215 A 7.340 14.582 34.793 1.00 23.97 ? 204 PHE H CD2 1 ATOM 1672 C CE1 . PHE A 1 215 A 6.423 15.411 37.286 1.00 25.01 ? 204 PHE H CE1 1 ATOM 1673 C CE2 . PHE A 1 215 A 7.423 13.724 35.891 1.00 25.85 ? 204 PHE H CE2 1 ATOM 1674 C CZ . PHE A 1 215 A 6.945 14.134 37.130 1.00 25.70 ? 204 PHE H CZ 1 ATOM 1675 N N . ASN A 1 216 B 5.726 17.222 30.820 1.00 17.31 ? 204 ASN H N 1 ATOM 1676 C CA . ASN A 1 216 B 5.778 18.076 29.631 1.00 16.41 ? 204 ASN H CA 1 ATOM 1677 C C . ASN A 1 216 B 5.060 17.490 28.432 1.00 16.69 ? 204 ASN H C 1 ATOM 1678 O O . ASN A 1 216 B 5.103 18.061 27.354 1.00 16.35 ? 204 ASN H O 1 ATOM 1679 C CB . ASN A 1 216 B 7.229 18.422 29.277 1.00 16.75 ? 204 ASN H CB 1 ATOM 1680 C CG . ASN A 1 216 B 8.050 17.199 28.904 1.00 16.01 ? 204 ASN H CG 1 ATOM 1681 O OD1 . ASN A 1 216 B 7.508 16.114 28.694 1.00 14.28 ? 204 ASN H OD1 1 ATOM 1682 N ND2 . ASN A 1 216 B 9.363 17.367 28.840 1.00 16.49 ? 204 ASN H ND2 1 ATOM 1683 N N A ASN A 1 217 ? 4.384 16.354 28.634 0.70 17.32 ? 205 ASN H N 1 ATOM 1684 N N B ASN A 1 217 ? 4.424 16.339 28.639 0.30 16.28 ? 205 ASN H N 1 ATOM 1685 C CA A ASN A 1 217 ? 3.578 15.689 27.599 0.70 18.22 ? 205 ASN H CA 1 ATOM 1686 C CA B ASN A 1 217 ? 3.585 15.714 27.627 0.30 16.27 ? 205 ASN H CA 1 ATOM 1687 C C A ASN A 1 217 ? 4.331 15.162 26.366 0.70 16.68 ? 205 ASN H C 1 ATOM 1688 C C B ASN A 1 217 ? 4.328 15.189 26.378 0.30 15.54 ? 205 ASN H C 1 ATOM 1689 O O A ASN A 1 217 ? 3.715 14.840 25.369 0.70 16.63 ? 205 ASN H O 1 ATOM 1690 O O B ASN A 1 217 ? 3.699 14.916 25.364 0.30 15.56 ? 205 ASN H O 1 ATOM 1691 C CB A ASN A 1 217 ? 2.374 16.553 27.196 0.70 22.25 ? 205 ASN H CB 1 ATOM 1692 C CB B ASN A 1 217 ? 2.442 16.662 27.243 0.30 17.44 ? 205 ASN H CB 1 ATOM 1693 C CG A ASN A 1 217 ? 1.386 16.698 28.326 0.70 24.74 ? 205 ASN H CG 1 ATOM 1694 C CG B ASN A 1 217 ? 1.618 16.130 26.112 0.30 17.90 ? 205 ASN H CG 1 ATOM 1695 O OD1 A ASN A 1 217 ? 0.714 15.744 28.692 0.70 28.04 ? 205 ASN H OD1 1 ATOM 1696 O OD1 B ASN A 1 217 ? 0.395 16.150 26.153 0.30 18.08 ? 205 ASN H OD1 1 ATOM 1697 N ND2 A ASN A 1 217 ? 1.326 17.876 28.910 0.70 27.41 ? 205 ASN H ND2 1 ATOM 1698 N ND2 B ASN A 1 217 ? 2.295 15.621 25.091 0.30 19.06 ? 205 ASN H ND2 1 ATOM 1699 N N . ARG A 1 218 ? 5.651 15.034 26.478 1.00 14.69 ? 206 ARG H N 1 ATOM 1700 C CA . ARG A 1 218 ? 6.472 14.481 25.400 1.00 13.49 ? 206 ARG H CA 1 ATOM 1701 C C . ARG A 1 218 ? 6.715 12.983 25.591 1.00 11.57 ? 206 ARG H C 1 ATOM 1702 O O . ARG A 1 218 ? 6.801 12.496 26.704 1.00 10.09 ? 206 ARG H O 1 ATOM 1703 C CB . ARG A 1 218 ? 7.851 15.164 25.372 1.00 13.70 ? 206 ARG H CB 1 ATOM 1704 C CG . ARG A 1 218 ? 7.784 16.613 24.977 1.00 16.56 ? 206 ARG H CG 1 ATOM 1705 C CD . ARG A 1 218 ? 9.168 17.208 25.095 1.00 18.50 ? 206 ARG H CD 1 ATOM 1706 N NE . ARG A 1 218 ? 9.044 18.649 24.943 1.00 20.82 ? 206 ARG H NE 1 ATOM 1707 C CZ . ARG A 1 218 ? 9.277 19.316 23.823 1.00 23.16 ? 206 ARG H CZ 1 ATOM 1708 N NH1 . ARG A 1 218 ? 9.681 18.684 22.724 1.00 21.99 ? 206 ARG H NH1 1 ATOM 1709 N NH2 . ARG A 1 218 ? 9.114 20.642 23.815 1.00 23.84 ? 206 ARG H NH2 1 ATOM 1710 N N . TRP A 1 219 ? 6.903 12.286 24.487 1.00 10.25 ? 207 TRP H N 1 ATOM 1711 C CA . TRP A 1 219 ? 7.299 10.881 24.523 1.00 10.15 ? 207 TRP H CA 1 ATOM 1712 C C . TRP A 1 219 ? 8.827 10.741 24.574 1.00 10.04 ? 207 TRP H C 1 ATOM 1713 O O . TRP A 1 219 ? 9.548 11.413 23.824 1.00 9.67 ? 207 TRP H O 1 ATOM 1714 C CB . TRP A 1 219 ? 6.769 10.180 23.279 1.00 10.43 ? 207 TRP H CB 1 ATOM 1715 C CG . TRP A 1 219 ? 5.256 10.037 23.294 1.00 10.47 ? 207 TRP H CG 1 ATOM 1716 C CD1 . TRP A 1 219 ? 4.340 10.949 22.826 1.00 10.33 ? 207 TRP H CD1 1 ATOM 1717 C CD2 . TRP A 1 219 ? 4.511 8.928 23.778 1.00 10.58 ? 207 TRP H CD2 1 ATOM 1718 N NE1 . TRP A 1 219 ? 3.066 10.471 23.005 1.00 10.46 ? 207 TRP H NE1 1 ATOM 1719 C CE2 . TRP A 1 219 ? 3.144 9.222 23.578 1.00 10.80 ? 207 TRP H CE2 1 ATOM 1720 C CE3 . TRP A 1 219 ? 4.859 7.711 24.378 1.00 10.78 ? 207 TRP H CE3 1 ATOM 1721 C CZ2 . TRP A 1 219 ? 2.125 8.328 23.936 1.00 10.38 ? 207 TRP H CZ2 1 ATOM 1722 C CZ3 . TRP A 1 219 ? 3.843 6.830 24.735 1.00 10.52 ? 207 TRP H CZ3 1 ATOM 1723 C CH2 . TRP A 1 219 ? 2.498 7.142 24.503 1.00 10.92 ? 207 TRP H CH2 1 ATOM 1724 N N . TYR A 1 220 ? 9.302 9.850 25.450 1.00 9.95 ? 208 TYR H N 1 ATOM 1725 C CA . TYR A 1 220 ? 10.744 9.604 25.636 1.00 10.23 ? 208 TYR H CA 1 ATOM 1726 C C . TYR A 1 220 ? 11.048 8.141 25.376 1.00 10.60 ? 208 TYR H C 1 ATOM 1727 O O . TYR A 1 220 ? 10.286 7.271 25.808 1.00 10.26 ? 208 TYR H O 1 ATOM 1728 C CB . TYR A 1 220 ? 11.095 9.948 27.082 1.00 10.78 ? 208 TYR H CB 1 ATOM 1729 C CG . TYR A 1 220 ? 11.185 11.444 27.330 1.00 11.65 ? 208 TYR H CG 1 ATOM 1730 C CD1 . TYR A 1 220 ? 12.372 12.133 27.088 1.00 11.55 ? 208 TYR H CD1 1 ATOM 1731 C CD2 . TYR A 1 220 ? 10.050 12.178 27.760 1.00 12.14 ? 208 TYR H CD2 1 ATOM 1732 C CE1 . TYR A 1 220 ? 12.456 13.530 27.302 1.00 12.61 ? 208 TYR H CE1 1 ATOM 1733 C CE2 . TYR A 1 220 ? 10.121 13.555 27.960 1.00 13.02 ? 208 TYR H CE2 1 ATOM 1734 C CZ . TYR A 1 220 ? 11.329 14.225 27.751 1.00 13.48 ? 208 TYR H CZ 1 ATOM 1735 O OH . TYR A 1 220 ? 11.388 15.607 27.970 1.00 14.65 ? 208 TYR H OH 1 ATOM 1736 N N . GLN A 1 221 ? 12.139 7.854 24.651 1.00 9.97 ? 209 GLN H N 1 ATOM 1737 C CA . GLN A 1 221 ? 12.487 6.473 24.484 1.00 9.93 ? 209 GLN H CA 1 ATOM 1738 C C . GLN A 1 221 ? 13.351 6.031 25.674 1.00 10.20 ? 209 GLN H C 1 ATOM 1739 O O . GLN A 1 221 ? 14.484 6.496 25.807 1.00 9.81 ? 209 GLN H O 1 ATOM 1740 C CB . GLN A 1 221 ? 13.260 6.265 23.182 1.00 9.83 ? 209 GLN H CB 1 ATOM 1741 C CG . GLN A 1 221 ? 13.591 4.774 23.067 1.00 8.97 ? 209 GLN H CG 1 ATOM 1742 C CD . GLN A 1 221 ? 14.163 4.386 21.729 1.00 8.95 ? 209 GLN H CD 1 ATOM 1743 O OE1 . GLN A 1 221 ? 14.586 3.224 21.552 1.00 9.59 ? 209 GLN H OE1 1 ATOM 1744 N NE2 . GLN A 1 221 ? 14.194 5.314 20.794 1.00 8.28 ? 209 GLN H NE2 1 ATOM 1745 N N . MET A 1 222 ? 12.805 5.175 26.549 1.00 10.66 ? 210 MET H N 1 ATOM 1746 C CA . MET A 1 222 ? 13.514 4.712 27.745 1.00 10.83 ? 210 MET H CA 1 ATOM 1747 C C . MET A 1 222 ? 14.271 3.422 27.465 1.00 10.81 ? 210 MET H C 1 ATOM 1748 O O . MET A 1 222 ? 15.259 3.167 28.104 1.00 10.46 ? 210 MET H O 1 ATOM 1749 C CB . MET A 1 222 ? 12.558 4.469 28.923 1.00 11.49 ? 210 MET H CB 1 ATOM 1750 C CG . MET A 1 222 ? 11.601 5.633 29.201 1.00 13.71 ? 210 MET H CG 1 ATOM 1751 S SD . MET A 1 222 ? 12.503 7.154 29.380 1.00 18.13 ? 210 MET H SD 1 ATOM 1752 C CE . MET A 1 222 ? 13.446 6.823 30.834 1.00 17.09 ? 210 MET H CE 1 ATOM 1753 N N . GLY A 1 223 ? 13.793 2.615 26.503 1.00 11.22 ? 211 GLY H N 1 ATOM 1754 C CA . GLY A 1 223 ? 14.377 1.267 26.274 1.00 9.75 ? 211 GLY H CA 1 ATOM 1755 C C . GLY A 1 223 ? 14.516 0.905 24.804 1.00 9.59 ? 211 GLY H C 1 ATOM 1756 O O . GLY A 1 223 ? 13.916 1.540 23.929 1.00 9.26 ? 211 GLY H O 1 ATOM 1757 N N . ILE A 1 224 ? 15.302 -0.132 24.562 1.00 8.96 ? 212 ILE H N 1 ATOM 1758 C CA . ILE A 1 224 ? 15.404 -0.763 23.262 1.00 9.19 ? 212 ILE H CA 1 ATOM 1759 C C . ILE A 1 224 ? 15.102 -2.229 23.435 1.00 9.24 ? 212 ILE H C 1 ATOM 1760 O O . ILE A 1 224 ? 15.692 -2.880 24.293 1.00 10.03 ? 212 ILE H O 1 ATOM 1761 C CB . ILE A 1 224 ? 16.821 -0.611 22.671 1.00 9.11 ? 212 ILE H CB 1 ATOM 1762 C CG1 . ILE A 1 224 ? 17.148 0.875 22.442 1.00 9.34 ? 212 ILE H CG1 1 ATOM 1763 C CG2 . ILE A 1 224 ? 16.946 -1.360 21.333 1.00 9.00 ? 212 ILE H CG2 1 ATOM 1764 C CD1 . ILE A 1 224 ? 18.670 1.057 22.266 1.00 9.56 ? 212 ILE H CD1 1 ATOM 1765 N N . VAL A 1 225 ? 14.186 -2.762 22.645 1.00 9.46 ? 213 VAL H N 1 ATOM 1766 C CA . VAL A 1 225 ? 13.874 -4.194 22.719 1.00 9.68 ? 213 VAL H CA 1 ATOM 1767 C C . VAL A 1 225 ? 15.180 -4.999 22.498 1.00 9.70 ? 213 VAL H C 1 ATOM 1768 O O . VAL A 1 225 ? 15.772 -4.945 21.410 1.00 9.36 ? 213 VAL H O 1 ATOM 1769 C CB . VAL A 1 225 ? 12.812 -4.609 21.669 1.00 9.99 ? 213 VAL H CB 1 ATOM 1770 C CG1 . VAL A 1 225 ? 12.487 -6.098 21.790 1.00 10.08 ? 213 VAL H CG1 1 ATOM 1771 C CG2 . VAL A 1 225 ? 11.527 -3.800 21.794 1.00 10.33 ? 213 VAL H CG2 1 ATOM 1772 N N . SER A 1 226 ? 15.612 -5.732 23.524 1.00 10.14 ? 214 SER H N 1 ATOM 1773 C CA . SER A 1 226 ? 16.917 -6.410 23.462 1.00 11.21 ? 214 SER H CA 1 ATOM 1774 C C . SER A 1 226 ? 16.758 -7.930 23.410 1.00 11.76 ? 214 SER H C 1 ATOM 1775 O O . SER A 1 226 ? 17.110 -8.529 22.411 1.00 13.61 ? 214 SER H O 1 ATOM 1776 C CB . SER A 1 226 ? 17.832 -5.971 24.609 1.00 10.93 ? 214 SER H CB 1 ATOM 1777 O OG . SER A 1 226 ? 19.113 -6.575 24.525 1.00 11.37 ? 214 SER H OG 1 ATOM 1778 N N . TRP A 1 227 ? 16.280 -8.562 24.471 1.00 12.26 ? 215 TRP H N 1 ATOM 1779 C CA . TRP A 1 227 ? 16.160 -10.017 24.471 1.00 13.29 ? 215 TRP H CA 1 ATOM 1780 C C . TRP A 1 227 ? 15.082 -10.549 25.402 1.00 14.33 ? 215 TRP H C 1 ATOM 1781 O O . TRP A 1 227 ? 14.450 -9.801 26.174 1.00 13.54 ? 215 TRP H O 1 ATOM 1782 C CB . TRP A 1 227 ? 17.521 -10.683 24.807 1.00 13.54 ? 215 TRP H CB 1 ATOM 1783 C CG . TRP A 1 227 ? 18.072 -10.301 26.179 1.00 14.21 ? 215 TRP H CG 1 ATOM 1784 C CD1 . TRP A 1 227 ? 18.843 -9.211 26.477 1.00 14.08 ? 215 TRP H CD1 1 ATOM 1785 C CD2 . TRP A 1 227 ? 17.889 -11.005 27.408 1.00 14.98 ? 215 TRP H CD2 1 ATOM 1786 N NE1 . TRP A 1 227 ? 19.142 -9.186 27.821 1.00 14.52 ? 215 TRP H NE1 1 ATOM 1787 C CE2 . TRP A 1 227 ? 18.595 -10.293 28.408 1.00 15.92 ? 215 TRP H CE2 1 ATOM 1788 C CE3 . TRP A 1 227 ? 17.232 -12.183 27.760 1.00 15.64 ? 215 TRP H CE3 1 ATOM 1789 C CZ2 . TRP A 1 227 ? 18.636 -10.718 29.741 1.00 16.19 ? 215 TRP H CZ2 1 ATOM 1790 C CZ3 . TRP A 1 227 ? 17.280 -12.600 29.099 1.00 15.77 ? 215 TRP H CZ3 1 ATOM 1791 C CH2 . TRP A 1 227 ? 17.968 -11.868 30.056 1.00 14.89 ? 215 TRP H CH2 1 ATOM 1792 N N . GLY A 1 228 ? 14.860 -11.853 25.312 1.00 14.83 ? 216 GLY H N 1 ATOM 1793 C CA . GLY A 1 228 ? 13.899 -12.526 26.202 1.00 17.50 ? 216 GLY H CA 1 ATOM 1794 C C . GLY A 1 228 ? 13.879 -14.005 25.861 1.00 19.61 ? 216 GLY H C 1 ATOM 1795 O O . GLY A 1 228 ? 14.356 -14.404 24.813 1.00 21.26 ? 216 GLY H O 1 ATOM 1796 N N . GLU A 1 229 ? 13.327 -14.826 26.731 1.00 20.11 ? 217 GLU H N 1 ATOM 1797 C CA . GLU A 1 229 ? 13.338 -16.260 26.503 1.00 21.54 ? 217 GLU H CA 1 ATOM 1798 C C . GLU A 1 229 ? 11.991 -16.630 25.926 1.00 19.93 ? 217 GLU H C 1 ATOM 1799 O O . GLU A 1 229 ? 11.004 -16.650 26.637 1.00 20.69 ? 217 GLU H O 1 ATOM 1800 C CB . GLU A 1 229 ? 13.616 -16.992 27.817 1.00 24.86 ? 217 GLU H CB 1 ATOM 1801 C CG . GLU A 1 229 ? 15.045 -16.794 28.318 1.00 30.95 ? 217 GLU H CG 1 ATOM 1802 C CD . GLU A 1 229 ? 15.213 -17.075 29.809 1.00 32.27 ? 217 GLU H CD 1 ATOM 1803 O OE1 . GLU A 1 229 ? 14.827 -18.168 30.280 1.00 37.80 ? 217 GLU H OE1 1 ATOM 1804 O OE2 . GLU A 1 229 ? 15.713 -16.190 30.512 1.00 34.17 ? 217 GLU H OE2 1 ATOM 1805 N N . GLY A 1 230 ? 11.951 -16.847 24.621 1.00 18.92 ? 219 GLY H N 1 ATOM 1806 C CA . GLY A 1 230 ? 10.688 -17.068 23.935 1.00 19.44 ? 219 GLY H CA 1 ATOM 1807 C C . GLY A 1 230 ? 9.925 -15.750 23.827 1.00 19.01 ? 219 GLY H C 1 ATOM 1808 O O . GLY A 1 230 ? 10.522 -14.674 23.919 1.00 18.14 ? 219 GLY H O 1 ATOM 1809 N N . CYS A 1 231 ? 8.610 -15.834 23.679 1.00 19.06 ? 220 CYS H N 1 ATOM 1810 C CA . CYS A 1 231 ? 7.761 -14.637 23.670 1.00 19.48 ? 220 CYS H CA 1 ATOM 1811 C C . CYS A 1 231 ? 6.514 -14.872 24.463 1.00 21.05 ? 220 CYS H C 1 ATOM 1812 O O . CYS A 1 231 ? 5.787 -15.850 24.210 1.00 21.84 ? 220 CYS H O 1 ATOM 1813 C CB . CYS A 1 231 ? 7.329 -14.277 22.269 1.00 19.83 ? 220 CYS H CB 1 ATOM 1814 S SG . CYS A 1 231 ? 8.620 -14.301 21.045 1.00 20.30 ? 220 CYS H SG 1 ATOM 1815 N N . ASP A 1 232 ? 6.250 -13.959 25.394 1.00 19.10 ? 221 ASP H N 1 ATOM 1816 C CA . ASP A 1 232 ? 5.046 -13.977 26.202 1.00 21.26 ? 221 ASP H CA 1 ATOM 1817 C C . ASP A 1 232 ? 4.895 -15.282 27.019 1.00 22.72 ? 221 ASP H C 1 ATOM 1818 O O . ASP A 1 232 ? 3.779 -15.773 27.218 1.00 22.97 ? 221 ASP H O 1 ATOM 1819 C CB . ASP A 1 232 ? 3.786 -13.714 25.347 1.00 20.27 ? 221 ASP H CB 1 ATOM 1820 C CG . ASP A 1 232 ? 2.592 -13.317 26.186 1.00 20.27 ? 221 ASP H CG 1 ATOM 1821 O OD1 . ASP A 1 232 ? 2.755 -12.500 27.125 1.00 22.04 ? 221 ASP H OD1 1 ATOM 1822 O OD2 . ASP A 1 232 ? 1.471 -13.786 25.907 1.00 21.28 ? 221 ASP H OD2 1 ATOM 1823 N N . ARG A 1 233 A 6.016 -15.832 27.485 1.00 23.31 ? 221 ARG H N 1 ATOM 1824 C CA . ARG A 1 233 A 5.958 -17.005 28.360 1.00 24.77 ? 221 ARG H CA 1 ATOM 1825 C C . ARG A 1 233 A 5.645 -16.557 29.767 1.00 25.08 ? 221 ARG H C 1 ATOM 1826 O O . ARG A 1 233 A 6.159 -15.513 30.223 1.00 22.99 ? 221 ARG H O 1 ATOM 1827 C CB . ARG A 1 233 A 7.271 -17.772 28.349 1.00 24.75 ? 221 ARG H CB 1 ATOM 1828 C CG . ARG A 1 233 A 7.563 -18.418 27.022 1.00 27.98 ? 221 ARG H CG 1 ATOM 1829 C CD . ARG A 1 233 A 8.601 -19.513 27.173 1.00 28.65 ? 221 ARG H CD 1 ATOM 1830 N NE . ARG A 1 233 A 9.118 -19.839 25.857 1.00 29.31 ? 221 ARG H NE 1 ATOM 1831 C CZ . ARG A 1 233 A 10.325 -20.330 25.624 1.00 29.88 ? 221 ARG H CZ 1 ATOM 1832 N NH1 . ARG A 1 233 A 11.161 -20.560 26.623 1.00 31.46 ? 221 ARG H NH1 1 ATOM 1833 N NH2 . ARG A 1 233 A 10.703 -20.573 24.378 1.00 30.34 ? 221 ARG H NH2 1 ATOM 1834 N N . ASP A 1 234 ? 4.800 -17.324 30.460 1.00 24.39 ? 222 ASP H N 1 ATOM 1835 C CA . ASP A 1 234 ? 4.531 -17.065 31.870 1.00 25.15 ? 222 ASP H CA 1 ATOM 1836 C C . ASP A 1 234 ? 5.825 -17.125 32.664 1.00 23.47 ? 222 ASP H C 1 ATOM 1837 O O . ASP A 1 234 ? 6.643 -18.020 32.447 1.00 24.04 ? 222 ASP H O 1 ATOM 1838 C CB . ASP A 1 234 ? 3.509 -18.073 32.436 1.00 29.07 ? 222 ASP H CB 1 ATOM 1839 C CG . ASP A 1 234 ? 2.137 -17.957 31.774 1.00 32.31 ? 222 ASP H CG 1 ATOM 1840 O OD1 . ASP A 1 234 ? 1.697 -16.828 31.449 1.00 31.02 ? 222 ASP H OD1 1 ATOM 1841 O OD2 . ASP A 1 234 ? 1.492 -19.010 31.590 1.00 35.79 ? 222 ASP H OD2 1 ATOM 1842 N N . GLY A 1 235 ? 6.017 -16.164 33.567 1.00 22.87 ? 223 GLY H N 1 ATOM 1843 C CA . GLY A 1 235 ? 7.207 -16.104 34.424 1.00 22.14 ? 223 GLY H CA 1 ATOM 1844 C C . GLY A 1 235 ? 8.494 -15.645 33.746 1.00 22.29 ? 223 GLY H C 1 ATOM 1845 O O . GLY A 1 235 ? 9.566 -15.659 34.358 1.00 22.99 ? 223 GLY H O 1 ATOM 1846 N N . LYS A 1 236 ? 8.399 -15.249 32.478 1.00 20.81 ? 224 LYS H N 1 ATOM 1847 C CA . LYS A 1 236 ? 9.530 -14.666 31.770 1.00 18.80 ? 224 LYS H CA 1 ATOM 1848 C C . LYS A 1 236 ? 9.149 -13.211 31.404 1.00 19.07 ? 224 LYS H C 1 ATOM 1849 O O . LYS A 1 236 ? 7.956 -12.855 31.368 1.00 18.93 ? 224 LYS H O 1 ATOM 1850 C CB . LYS A 1 236 ? 9.851 -15.472 30.514 1.00 20.45 ? 224 LYS H CB 1 ATOM 1851 C CG . LYS A 1 236 ? 10.183 -16.951 30.776 1.00 21.72 ? 224 LYS H CG 1 ATOM 1852 C CD . LYS A 1 236 ? 11.545 -17.116 31.441 1.00 21.81 ? 224 LYS H CD 1 ATOM 1853 C CE . LYS A 1 236 ? 11.878 -18.598 31.628 1.00 24.91 ? 224 LYS H CE 1 ATOM 1854 N NZ . LYS A 1 236 ? 13.255 -18.740 32.195 1.00 25.70 ? 224 LYS H NZ 1 ATOM 1855 N N . TYR A 1 237 ? 10.162 -12.393 31.148 1.00 17.02 ? 225 TYR H N 1 ATOM 1856 C CA . TYR A 1 237 ? 9.992 -10.964 30.898 1.00 16.97 ? 225 TYR H CA 1 ATOM 1857 C C . TYR A 1 237 ? 10.855 -10.548 29.725 1.00 15.63 ? 225 TYR H C 1 ATOM 1858 O O . TYR A 1 237 ? 11.885 -11.166 29.450 1.00 15.45 ? 225 TYR H O 1 ATOM 1859 C CB . TYR A 1 237 ? 10.411 -10.168 32.140 1.00 16.81 ? 225 TYR H CB 1 ATOM 1860 C CG . TYR A 1 237 ? 9.567 -10.575 33.308 1.00 17.17 ? 225 TYR H CG 1 ATOM 1861 C CD1 . TYR A 1 237 ? 8.296 -10.029 33.479 1.00 18.01 ? 225 TYR H CD1 1 ATOM 1862 C CD2 . TYR A 1 237 ? 9.990 -11.578 34.197 1.00 18.50 ? 225 TYR H CD2 1 ATOM 1863 C CE1 . TYR A 1 237 ? 7.475 -10.435 34.528 1.00 19.04 ? 225 TYR H CE1 1 ATOM 1864 C CE2 . TYR A 1 237 ? 9.168 -11.995 35.249 1.00 19.60 ? 225 TYR H CE2 1 ATOM 1865 C CZ . TYR A 1 237 ? 7.912 -11.421 35.403 1.00 21.08 ? 225 TYR H CZ 1 ATOM 1866 O OH . TYR A 1 237 ? 7.065 -11.827 36.427 1.00 22.65 ? 225 TYR H OH 1 ATOM 1867 N N . GLY A 1 238 ? 10.455 -9.468 29.071 1.00 14.45 ? 226 GLY H N 1 ATOM 1868 C CA . GLY A 1 238 ? 11.259 -8.925 28.003 1.00 13.26 ? 226 GLY H CA 1 ATOM 1869 C C . GLY A 1 238 ? 12.339 -8.075 28.630 1.00 12.50 ? 226 GLY H C 1 ATOM 1870 O O . GLY A 1 238 ? 12.086 -7.418 29.637 1.00 11.85 ? 226 GLY H O 1 ATOM 1871 N N . PHE A 1 239 ? 13.559 -8.147 28.082 1.00 11.95 ? 227 PHE H N 1 ATOM 1872 C CA . PHE A 1 239 ? 14.657 -7.294 28.524 1.00 11.96 ? 227 PHE H CA 1 ATOM 1873 C C . PHE A 1 239 ? 14.948 -6.196 27.543 1.00 11.49 ? 227 PHE H C 1 ATOM 1874 O O . PHE A 1 239 ? 14.937 -6.430 26.329 1.00 12.01 ? 227 PHE H O 1 ATOM 1875 C CB . PHE A 1 239 ? 15.932 -8.130 28.836 1.00 12.65 ? 227 PHE H CB 1 ATOM 1876 C CG . PHE A 1 239 ? 15.822 -8.864 30.150 1.00 13.57 ? 227 PHE H CG 1 ATOM 1877 C CD1 . PHE A 1 239 ? 15.118 -10.060 30.230 1.00 14.81 ? 227 PHE H CD1 1 ATOM 1878 C CD2 . PHE A 1 239 ? 16.312 -8.313 31.303 1.00 14.25 ? 227 PHE H CD2 1 ATOM 1879 C CE1 . PHE A 1 239 ? 14.939 -10.698 31.453 1.00 15.47 ? 227 PHE H CE1 1 ATOM 1880 C CE2 . PHE A 1 239 ? 16.167 -8.961 32.531 1.00 14.23 ? 227 PHE H CE2 1 ATOM 1881 C CZ . PHE A 1 239 ? 15.494 -10.151 32.595 1.00 14.58 ? 227 PHE H CZ 1 ATOM 1882 N N . TYR A 1 240 ? 15.290 -5.015 28.078 1.00 10.97 ? 228 TYR H N 1 ATOM 1883 C CA . TYR A 1 240 ? 15.412 -3.820 27.284 1.00 10.58 ? 228 TYR H CA 1 ATOM 1884 C C . TYR A 1 240 ? 16.722 -3.122 27.622 1.00 10.45 ? 228 TYR H C 1 ATOM 1885 O O . TYR A 1 240 ? 17.092 -3.015 28.788 1.00 10.30 ? 228 TYR H O 1 ATOM 1886 C CB . TYR A 1 240 ? 14.217 -2.871 27.584 1.00 10.27 ? 228 TYR H CB 1 ATOM 1887 C CG . TYR A 1 240 ? 12.894 -3.473 27.169 1.00 11.47 ? 228 TYR H CG 1 ATOM 1888 C CD1 . TYR A 1 240 ? 12.224 -4.385 28.002 1.00 11.35 ? 228 TYR H CD1 1 ATOM 1889 C CD2 . TYR A 1 240 ? 12.354 -3.199 25.917 1.00 11.78 ? 228 TYR H CD2 1 ATOM 1890 C CE1 . TYR A 1 240 ? 11.044 -4.968 27.601 1.00 12.38 ? 228 TYR H CE1 1 ATOM 1891 C CE2 . TYR A 1 240 ? 11.159 -3.768 25.512 1.00 12.48 ? 228 TYR H CE2 1 ATOM 1892 C CZ . TYR A 1 240 ? 10.524 -4.667 26.353 1.00 12.85 ? 228 TYR H CZ 1 ATOM 1893 O OH . TYR A 1 240 ? 9.354 -5.253 25.950 1.00 14.46 ? 228 TYR H OH 1 ATOM 1894 N N . THR A 1 241 ? 17.415 -2.614 26.614 1.00 10.27 ? 229 THR H N 1 ATOM 1895 C CA . THR A 1 241 ? 18.609 -1.793 26.854 1.00 11.15 ? 229 THR H CA 1 ATOM 1896 C C . THR A 1 241 ? 18.199 -0.467 27.497 1.00 11.57 ? 229 THR H C 1 ATOM 1897 O O . THR A 1 241 ? 17.264 0.156 27.033 1.00 11.05 ? 229 THR H O 1 ATOM 1898 C CB . THR A 1 241 ? 19.306 -1.478 25.514 1.00 11.71 ? 229 THR H CB 1 ATOM 1899 O OG1 . THR A 1 241 ? 19.502 -2.694 24.826 1.00 12.15 ? 229 THR H OG1 1 ATOM 1900 C CG2 . THR A 1 241 ? 20.650 -0.804 25.759 1.00 12.02 ? 229 THR H CG2 1 ATOM 1901 N N . HIS A 1 242 ? 18.910 -0.068 28.557 1.00 11.90 ? 230 HIS H N 1 ATOM 1902 C CA . HIS A 1 242 ? 18.597 1.114 29.372 1.00 13.17 ? 230 HIS H CA 1 ATOM 1903 C C . HIS A 1 242 ? 19.213 2.320 28.675 1.00 13.19 ? 230 HIS H C 1 ATOM 1904 O O . HIS A 1 242 ? 20.417 2.546 28.753 1.00 13.80 ? 230 HIS H O 1 ATOM 1905 C CB . HIS A 1 242 ? 19.219 0.913 30.746 1.00 13.94 ? 230 HIS H CB 1 ATOM 1906 C CG . HIS A 1 242 ? 18.717 1.849 31.804 1.00 15.21 ? 230 HIS H CG 1 ATOM 1907 N ND1 . HIS A 1 242 ? 18.733 3.223 31.660 1.00 16.29 ? 230 HIS H ND1 1 ATOM 1908 C CD2 . HIS A 1 242 ? 18.278 1.609 33.060 1.00 16.32 ? 230 HIS H CD2 1 ATOM 1909 C CE1 . HIS A 1 242 ? 18.314 3.787 32.781 1.00 16.80 ? 230 HIS H CE1 1 ATOM 1910 N NE2 . HIS A 1 242 ? 18.018 2.831 33.641 1.00 17.00 ? 230 HIS H NE2 1 ATOM 1911 N N . VAL A 1 243 ? 18.392 3.080 27.958 1.00 12.38 ? 231 VAL H N 1 ATOM 1912 C CA . VAL A 1 243 ? 18.912 4.101 27.034 1.00 12.87 ? 231 VAL H CA 1 ATOM 1913 C C . VAL A 1 243 ? 19.620 5.213 27.799 1.00 13.41 ? 231 VAL H C 1 ATOM 1914 O O . VAL A 1 243 ? 20.666 5.709 27.363 1.00 15.21 ? 231 VAL H O 1 ATOM 1915 C CB . VAL A 1 243 ? 17.775 4.672 26.134 1.00 11.92 ? 231 VAL H CB 1 ATOM 1916 C CG1 . VAL A 1 243 ? 18.185 5.931 25.384 1.00 13.11 ? 231 VAL H CG1 1 ATOM 1917 C CG2 . VAL A 1 243 ? 17.320 3.615 25.140 1.00 12.15 ? 231 VAL H CG2 1 ATOM 1918 N N . PHE A 1 244 ? 19.060 5.612 28.933 1.00 13.66 ? 232 PHE H N 1 ATOM 1919 C CA . PHE A 1 244 ? 19.679 6.697 29.654 1.00 15.18 ? 232 PHE H CA 1 ATOM 1920 C C . PHE A 1 244 ? 21.078 6.352 30.158 1.00 15.78 ? 232 PHE H C 1 ATOM 1921 O O . PHE A 1 244 ? 21.964 7.209 30.118 1.00 15.37 ? 232 PHE H O 1 ATOM 1922 C CB . PHE A 1 244 ? 18.855 7.219 30.822 1.00 16.37 ? 232 PHE H CB 1 ATOM 1923 C CG . PHE A 1 244 ? 19.594 8.284 31.566 1.00 18.29 ? 232 PHE H CG 1 ATOM 1924 C CD1 . PHE A 1 244 ? 19.844 9.517 30.944 1.00 19.16 ? 232 PHE H CD1 1 ATOM 1925 C CD2 . PHE A 1 244 ? 20.175 8.015 32.810 1.00 19.39 ? 232 PHE H CD2 1 ATOM 1926 C CE1 . PHE A 1 244 ? 20.615 10.496 31.571 1.00 20.21 ? 232 PHE H CE1 1 ATOM 1927 C CE2 . PHE A 1 244 ? 20.950 8.991 33.436 1.00 20.39 ? 232 PHE H CE2 1 ATOM 1928 C CZ . PHE A 1 244 ? 21.158 10.227 32.826 1.00 20.80 ? 232 PHE H CZ 1 ATOM 1929 N N . ARG A 1 245 ? 21.273 5.128 30.656 1.00 15.72 ? 233 ARG H N 1 ATOM 1930 C CA . ARG A 1 245 ? 22.605 4.709 31.155 1.00 17.79 ? 233 ARG H CA 1 ATOM 1931 C C . ARG A 1 245 ? 23.666 4.760 30.057 1.00 18.50 ? 233 ARG H C 1 ATOM 1932 O O . ARG A 1 245 ? 24.871 4.796 30.351 1.00 19.38 ? 233 ARG H O 1 ATOM 1933 C CB . ARG A 1 245 ? 22.553 3.277 31.706 1.00 20.06 ? 233 ARG H CB 1 ATOM 1934 C CG . ARG A 1 245 ? 21.765 3.106 32.996 1.00 23.83 ? 233 ARG H CG 1 ATOM 1935 C CD . ARG A 1 245 ? 22.655 2.995 34.225 1.00 26.67 ? 233 ARG H CD 1 ATOM 1936 N NE . ARG A 1 245 ? 23.771 2.072 34.021 1.00 30.72 ? 233 ARG H NE 1 ATOM 1937 C CZ . ARG A 1 245 ? 24.908 2.079 34.732 1.00 34.09 ? 233 ARG H CZ 1 ATOM 1938 N NH1 . ARG A 1 245 ? 25.078 2.957 35.712 1.00 34.39 ? 233 ARG H NH1 1 ATOM 1939 N NH2 . ARG A 1 245 ? 25.886 1.211 34.455 1.00 31.23 ? 233 ARG H NH2 1 ATOM 1940 N N . LEU A 1 246 ? 23.238 4.699 28.799 1.00 17.03 ? 234 LEU H N 1 ATOM 1941 C CA . LEU A 1 246 ? 24.144 4.722 27.670 1.00 18.20 ? 234 LEU H CA 1 ATOM 1942 C C . LEU A 1 246 ? 24.119 6.031 26.892 1.00 18.95 ? 234 LEU H C 1 ATOM 1943 O O . LEU A 1 246 ? 24.679 6.128 25.795 1.00 19.05 ? 234 LEU H O 1 ATOM 1944 C CB . LEU A 1 246 ? 23.838 3.539 26.740 1.00 18.95 ? 234 LEU H CB 1 ATOM 1945 C CG . LEU A 1 246 ? 24.099 2.209 27.450 1.00 21.04 ? 234 LEU H CG 1 ATOM 1946 C CD1 . LEU A 1 246 ? 23.230 1.118 26.861 1.00 19.62 ? 234 LEU H CD1 1 ATOM 1947 C CD2 . LEU A 1 246 ? 25.583 1.851 27.382 1.00 22.80 ? 234 LEU H CD2 1 ATOM 1948 N N . LYS A 1 247 ? 23.483 7.045 27.466 1.00 19.99 ? 235 LYS H N 1 ATOM 1949 C CA . LYS A 1 247 ? 23.301 8.313 26.772 1.00 21.81 ? 235 LYS H CA 1 ATOM 1950 C C . LYS A 1 247 ? 24.622 9.046 26.515 1.00 22.39 ? 235 LYS H C 1 ATOM 1951 O O . LYS A 1 247 ? 24.799 9.657 25.456 1.00 21.32 ? 235 LYS H O 1 ATOM 1952 C CB . LYS A 1 247 ? 22.325 9.216 27.515 1.00 23.61 ? 235 LYS H CB 1 ATOM 1953 C CG . LYS A 1 247 ? 21.718 10.265 26.600 1.00 26.92 ? 235 LYS H CG 1 ATOM 1954 C CD . LYS A 1 247 ? 21.037 11.362 27.370 1.00 28.82 ? 235 LYS H CD 1 ATOM 1955 C CE . LYS A 1 247 ? 20.594 12.432 26.395 1.00 30.15 ? 235 LYS H CE 1 ATOM 1956 N NZ . LYS A 1 247 ? 19.595 13.308 27.052 1.00 32.92 ? 235 LYS H NZ 1 ATOM 1957 N N . LYS A 1 248 ? 25.561 8.965 27.449 1.00 23.15 ? 236 LYS H N 1 ATOM 1958 C CA . LYS A 1 248 ? 26.852 9.622 27.208 1.00 25.06 ? 236 LYS H CA 1 ATOM 1959 C C . LYS A 1 248 ? 27.558 9.091 25.961 1.00 23.86 ? 236 LYS H C 1 ATOM 1960 O O . LYS A 1 248 ? 28.176 9.862 25.226 1.00 24.74 ? 236 LYS H O 1 ATOM 1961 C CB . LYS A 1 248 ? 27.758 9.613 28.441 1.00 25.92 ? 236 LYS H CB 1 ATOM 1962 C CG . LYS A 1 248 ? 27.568 10.854 29.308 0.50 26.33 ? 236 LYS H CG 1 ATOM 1963 C CD . LYS A 1 248 ? 28.195 10.714 30.687 0.50 26.28 ? 236 LYS H CD 1 ATOM 1964 C CE . LYS A 1 248 ? 27.540 11.684 31.658 0.50 26.04 ? 236 LYS H CE 1 ATOM 1965 N NZ . LYS A 1 248 ? 27.676 11.225 33.071 0.50 26.48 ? 236 LYS H NZ 1 ATOM 1966 N N . TRP A 1 249 ? 27.443 7.791 25.706 1.00 23.13 ? 237 TRP H N 1 ATOM 1967 C CA . TRP A 1 249 ? 28.016 7.225 24.496 1.00 22.26 ? 237 TRP H CA 1 ATOM 1968 C C . TRP A 1 249 ? 27.267 7.771 23.303 1.00 21.57 ? 237 TRP H C 1 ATOM 1969 O O . TRP A 1 249 ? 27.882 8.159 22.314 1.00 23.05 ? 237 TRP H O 1 ATOM 1970 C CB . TRP A 1 249 ? 27.964 5.691 24.486 1.00 21.53 ? 237 TRP H CB 1 ATOM 1971 C CG . TRP A 1 249 ? 28.387 5.120 23.146 1.00 22.64 ? 237 TRP H CG 1 ATOM 1972 C CD1 . TRP A 1 249 ? 29.681 4.989 22.670 1.00 23.00 ? 237 TRP H CD1 1 ATOM 1973 C CD2 . TRP A 1 249 ? 27.525 4.605 22.108 1.00 22.67 ? 237 TRP H CD2 1 ATOM 1974 N NE1 . TRP A 1 249 ? 29.662 4.439 21.402 1.00 23.67 ? 237 TRP H NE1 1 ATOM 1975 C CE2 . TRP A 1 249 ? 28.365 4.182 21.037 1.00 22.58 ? 237 TRP H CE2 1 ATOM 1976 C CE3 . TRP A 1 249 ? 26.129 4.457 21.978 1.00 21.32 ? 237 TRP H CE3 1 ATOM 1977 C CZ2 . TRP A 1 249 ? 27.859 3.634 19.854 1.00 22.64 ? 237 TRP H CZ2 1 ATOM 1978 C CZ3 . TRP A 1 249 ? 25.625 3.905 20.789 1.00 20.65 ? 237 TRP H CZ3 1 ATOM 1979 C CH2 . TRP A 1 249 ? 26.491 3.498 19.753 1.00 22.46 ? 237 TRP H CH2 1 ATOM 1980 N N . ILE A 1 250 ? 25.930 7.779 23.388 1.00 20.37 ? 238 ILE H N 1 ATOM 1981 C CA . ILE A 1 250 ? 25.103 8.328 22.314 1.00 19.88 ? 238 ILE H CA 1 ATOM 1982 C C . ILE A 1 250 ? 25.567 9.747 21.951 1.00 20.84 ? 238 ILE H C 1 ATOM 1983 O O . ILE A 1 250 ? 25.837 10.029 20.788 1.00 20.78 ? 238 ILE H O 1 ATOM 1984 C CB . ILE A 1 250 ? 23.585 8.288 22.662 1.00 18.72 ? 238 ILE H CB 1 ATOM 1985 C CG1 . ILE A 1 250 ? 23.066 6.832 22.668 1.00 17.60 ? 238 ILE H CG1 1 ATOM 1986 C CG2 . ILE A 1 250 ? 22.792 9.126 21.663 1.00 18.47 ? 238 ILE H CG2 1 ATOM 1987 C CD1 . ILE A 1 250 ? 21.638 6.712 23.174 1.00 18.67 ? 238 ILE H CD1 1 ATOM 1988 N N A GLN A 1 251 ? 25.658 10.616 22.951 0.60 22.28 ? 239 GLN H N 1 ATOM 1989 N N B GLN A 1 251 ? 25.661 10.615 22.955 0.40 22.26 ? 239 GLN H N 1 ATOM 1990 C CA A GLN A 1 251 ? 26.040 12.020 22.753 0.60 24.47 ? 239 GLN H CA 1 ATOM 1991 C CA B GLN A 1 251 ? 26.051 12.016 22.761 0.40 24.37 ? 239 GLN H CA 1 ATOM 1992 C C A GLN A 1 251 ? 27.459 12.162 22.197 0.60 25.13 ? 239 GLN H C 1 ATOM 1993 C C B GLN A 1 251 ? 27.450 12.136 22.168 0.40 25.05 ? 239 GLN H C 1 ATOM 1994 O O A GLN A 1 251 ? 27.717 13.013 21.348 0.60 26.76 ? 239 GLN H O 1 ATOM 1995 O O B GLN A 1 251 ? 27.687 12.950 21.276 0.40 26.29 ? 239 GLN H O 1 ATOM 1996 C CB A GLN A 1 251 ? 25.906 12.790 24.070 0.60 25.41 ? 239 GLN H CB 1 ATOM 1997 C CB B GLN A 1 251 ? 25.999 12.771 24.089 0.40 25.13 ? 239 GLN H CB 1 ATOM 1998 C CG A GLN A 1 251 ? 24.466 13.142 24.441 0.60 26.22 ? 239 GLN H CG 1 ATOM 1999 C CG B GLN A 1 251 ? 25.920 14.280 23.920 0.40 26.08 ? 239 GLN H CG 1 ATOM 2000 C CD A GLN A 1 251 ? 24.317 13.661 25.867 0.60 26.25 ? 239 GLN H CD 1 ATOM 2001 C CD B GLN A 1 251 ? 24.705 14.696 23.125 0.40 26.27 ? 239 GLN H CD 1 ATOM 2002 O OE1 A GLN A 1 251 ? 24.830 13.077 26.824 0.60 29.00 ? 239 GLN H OE1 1 ATOM 2003 O OE1 B GLN A 1 251 ? 23.573 14.543 23.580 0.40 27.29 ? 239 GLN H OE1 1 ATOM 2004 N NE2 A GLN A 1 251 ? 23.602 14.755 26.014 0.60 26.49 ? 239 GLN H NE2 1 ATOM 2005 N NE2 B GLN A 1 251 ? 24.932 15.225 21.929 0.40 26.40 ? 239 GLN H NE2 1 ATOM 2006 N N . LYS A 1 252 ? 28.364 11.315 22.675 1.00 25.39 ? 240 LYS H N 1 ATOM 2007 C CA . LYS A 1 252 ? 29.749 11.281 22.209 1.00 27.57 ? 240 LYS H CA 1 ATOM 2008 C C . LYS A 1 252 ? 29.820 10.999 20.700 1.00 27.91 ? 240 LYS H C 1 ATOM 2009 O O . LYS A 1 252 ? 30.489 11.737 19.954 1.00 28.33 ? 240 LYS H O 1 ATOM 2010 C CB . LYS A 1 252 ? 30.532 10.243 23.034 1.00 29.21 ? 240 LYS H CB 1 ATOM 2011 C CG . LYS A 1 252 ? 31.834 9.743 22.414 1.00 35.08 ? 240 LYS H CG 1 ATOM 2012 C CD . LYS A 1 252 ? 32.946 10.778 22.494 0.50 33.93 ? 240 LYS H CD 1 ATOM 2013 C CE . LYS A 1 252 ? 34.296 10.161 22.158 0.50 35.23 ? 240 LYS H CE 1 ATOM 2014 N NZ . LYS A 1 252 ? 34.729 9.186 23.197 0.50 34.58 ? 240 LYS H NZ 1 ATOM 2015 N N . VAL A 1 253 ? 29.089 9.980 20.246 1.00 25.17 ? 241 VAL H N 1 ATOM 2016 C CA . VAL A 1 253 ? 29.040 9.629 18.824 1.00 24.75 ? 241 VAL H CA 1 ATOM 2017 C C . VAL A 1 253 ? 28.424 10.744 17.968 1.00 27.16 ? 241 VAL H C 1 ATOM 2018 O O . VAL A 1 253 ? 28.952 11.081 16.907 1.00 28.52 ? 241 VAL H O 1 ATOM 2019 C CB . VAL A 1 253 ? 28.293 8.295 18.569 1.00 24.68 ? 241 VAL H CB 1 ATOM 2020 C CG1 . VAL A 1 253 ? 28.094 8.065 17.080 1.00 24.89 ? 241 VAL H CG1 1 ATOM 2021 C CG2 . VAL A 1 253 ? 29.055 7.128 19.190 1.00 25.43 ? 241 VAL H CG2 1 ATOM 2022 N N . ILE A 1 254 ? 27.311 11.311 18.420 1.00 28.32 ? 242 ILE H N 1 ATOM 2023 C CA . ILE A 1 254 ? 26.619 12.359 17.665 1.00 30.41 ? 242 ILE H CA 1 ATOM 2024 C C . ILE A 1 254 ? 27.481 13.638 17.596 1.00 32.68 ? 242 ILE H C 1 ATOM 2025 O O . ILE A 1 254 ? 27.629 14.220 16.524 1.00 32.57 ? 242 ILE H O 1 ATOM 2026 C CB . ILE A 1 254 ? 25.188 12.621 18.213 1.00 30.26 ? 242 ILE H CB 1 ATOM 2027 C CG1 . ILE A 1 254 ? 24.281 11.419 17.886 1.00 29.60 ? 242 ILE H CG1 1 ATOM 2028 C CG2 . ILE A 1 254 ? 24.583 13.890 17.608 1.00 29.41 ? 242 ILE H CG2 1 ATOM 2029 C CD1 . ILE A 1 254 ? 22.949 11.402 18.618 1.00 29.55 ? 242 ILE H CD1 1 ATOM 2030 N N . ASP A 1 255 ? 28.072 14.045 18.718 1.00 36.09 ? 243 ASP H N 1 ATOM 2031 C CA . ASP A 1 255 ? 28.951 15.236 18.747 1.00 38.56 ? 243 ASP H CA 1 ATOM 2032 C C . ASP A 1 255 ? 30.208 15.094 17.868 1.00 40.10 ? 243 ASP H C 1 ATOM 2033 O O . ASP A 1 255 ? 30.593 16.035 17.179 1.00 38.57 ? 243 ASP H O 1 ATOM 2034 C CB . ASP A 1 255 ? 29.345 15.609 20.186 1.00 41.14 ? 243 ASP H CB 1 ATOM 2035 C CG . ASP A 1 255 ? 28.162 16.138 21.014 1.00 46.15 ? 243 ASP H CG 1 ATOM 2036 O OD1 . ASP A 1 255 ? 27.112 16.515 20.435 1.00 49.94 ? 243 ASP H OD1 1 ATOM 2037 O OD2 . ASP A 1 255 ? 28.271 16.163 22.260 1.00 47.73 ? 243 ASP H OD2 1 ATOM 2038 N N . GLN A 1 256 ? 30.815 13.910 17.885 1.00 39.47 ? 244 GLN H N 1 ATOM 2039 C CA . GLN A 1 256 ? 32.065 13.621 17.164 1.00 40.87 ? 244 GLN H CA 1 ATOM 2040 C C . GLN A 1 256 ? 31.882 13.340 15.669 1.00 43.11 ? 244 GLN H C 1 ATOM 2041 O O . GLN A 1 256 ? 32.820 13.510 14.890 1.00 44.78 ? 244 GLN H O 1 ATOM 2042 C CB . GLN A 1 256 ? 32.745 12.423 17.829 1.00 40.60 ? 244 GLN H CB 1 ATOM 2043 C CG . GLN A 1 256 ? 34.182 12.129 17.443 0.50 42.57 ? 244 GLN H CG 1 ATOM 2044 C CD . GLN A 1 256 ? 34.746 10.974 18.247 0.50 43.90 ? 244 GLN H CD 1 ATOM 2045 O OE1 . GLN A 1 256 ? 34.626 10.934 19.477 0.50 45.16 ? 244 GLN H OE1 1 ATOM 2046 N NE2 . GLN A 1 256 ? 35.355 10.021 17.559 0.50 44.26 ? 244 GLN H NE2 1 ATOM 2047 N N . PHE A 1 257 ? 30.687 12.915 15.262 1.00 43.02 ? 245 PHE H N 1 ATOM 2048 C CA . PHE A 1 257 ? 30.468 12.457 13.884 1.00 43.96 ? 245 PHE H CA 1 ATOM 2049 C C . PHE A 1 257 ? 29.260 13.096 13.200 1.00 45.04 ? 245 PHE H C 1 ATOM 2050 O O . PHE A 1 257 ? 28.953 12.701 12.070 1.00 44.25 ? 245 PHE H O 1 ATOM 2051 C CB . PHE A 1 257 ? 30.321 10.924 13.819 1.00 47.93 ? 245 PHE H CB 1 ATOM 2052 C CG . PHE A 1 257 ? 31.541 10.148 14.269 1.00 52.19 ? 245 PHE H CG 1 ATOM 2053 C CD1 . PHE A 1 257 ? 32.666 10.033 13.446 1.00 54.32 ? 245 PHE H CD1 1 ATOM 2054 C CD2 . PHE A 1 257 ? 31.543 9.478 15.500 1.00 52.47 ? 245 PHE H CD2 1 ATOM 2055 C CE1 . PHE A 1 257 ? 33.778 9.297 13.855 1.00 53.62 ? 245 PHE H CE1 1 ATOM 2056 C CE2 . PHE A 1 257 ? 32.651 8.739 15.913 1.00 53.65 ? 245 PHE H CE2 1 ATOM 2057 C CZ . PHE A 1 257 ? 33.769 8.648 15.088 1.00 54.46 ? 245 PHE H CZ 1 ATOM 2058 O OXT . PHE A 1 257 ? 28.567 13.987 13.719 1.00 44.21 ? 245 PHE H OXT 1 ATOM 2059 N N . ASP B 2 1 ? 6.745 -11.811 1.770 1.00 45.21 ? 1 ASP I N 1 ATOM 2060 C CA . ASP B 2 1 ? 5.474 -11.226 1.240 1.00 43.12 ? 1 ASP I CA 1 ATOM 2061 C C . ASP B 2 1 ? 5.568 -9.711 1.068 1.00 39.07 ? 1 ASP I C 1 ATOM 2062 O O . ASP B 2 1 ? 4.555 -9.021 0.972 1.00 39.73 ? 1 ASP I O 1 ATOM 2063 C CB . ASP B 2 1 ? 4.238 -11.650 2.080 1.00 48.55 ? 1 ASP I CB 1 ATOM 2064 C CG . ASP B 2 1 ? 4.493 -11.673 3.613 1.00 53.72 ? 1 ASP I CG 1 ATOM 2065 O OD1 . ASP B 2 1 ? 5.622 -11.410 4.094 1.00 55.67 ? 1 ASP I OD1 1 ATOM 2066 O OD2 . ASP B 2 1 ? 3.531 -11.977 4.351 1.00 53.79 ? 1 ASP I OD2 1 ATOM 2067 N N . PHE B 2 2 ? 6.798 -9.212 0.993 1.00 35.58 ? 2 PHE I N 1 ATOM 2068 C CA . PHE B 2 2 ? 7.052 -7.791 0.848 1.00 32.72 ? 2 PHE I CA 1 ATOM 2069 C C . PHE B 2 2 ? 6.852 -7.288 -0.570 1.00 33.60 ? 2 PHE I C 1 ATOM 2070 O O . PHE B 2 2 ? 7.392 -7.826 -1.535 1.00 32.00 ? 2 PHE I O 1 ATOM 2071 C CB . PHE B 2 2 ? 8.447 -7.437 1.360 1.00 34.38 ? 2 PHE I CB 1 ATOM 2072 C CG . PHE B 2 2 ? 8.559 -7.524 2.856 1.00 34.52 ? 2 PHE I CG 1 ATOM 2073 C CD1 . PHE B 2 2 ? 8.877 -8.734 3.475 1.00 34.63 ? 2 PHE I CD1 1 ATOM 2074 C CD2 . PHE B 2 2 ? 8.284 -6.406 3.654 1.00 33.11 ? 2 PHE I CD2 1 ATOM 2075 C CE1 . PHE B 2 2 ? 8.940 -8.821 4.865 1.00 34.32 ? 2 PHE I CE1 1 ATOM 2076 C CE2 . PHE B 2 2 ? 8.349 -6.492 5.037 1.00 32.82 ? 2 PHE I CE2 1 ATOM 2077 C CZ . PHE B 2 2 ? 8.671 -7.700 5.638 1.00 32.78 ? 2 PHE I CZ 1 ATOM 2078 N N . GLU B 2 3 ? 6.073 -6.234 -0.695 1.00 30.60 ? 3 GLU I N 1 ATOM 2079 C CA . GLU B 2 3 ? 5.952 -5.572 -1.966 1.00 34.06 ? 3 GLU I CA 1 ATOM 2080 C C . GLU B 2 3 ? 7.317 -4.977 -2.361 1.00 36.10 ? 3 GLU I C 1 ATOM 2081 O O . GLU B 2 3 ? 8.098 -4.530 -1.503 1.00 34.84 ? 3 GLU I O 1 ATOM 2082 C CB . GLU B 2 3 ? 4.856 -4.519 -1.884 1.00 31.78 ? 3 GLU I CB 1 ATOM 2083 C CG . GLU B 2 3 ? 4.657 -3.724 -3.150 1.00 32.56 ? 3 GLU I CG 1 ATOM 2084 C CD . GLU B 2 3 ? 3.551 -2.699 -3.034 1.00 33.42 ? 3 GLU I CD 1 ATOM 2085 O OE1 . GLU B 2 3 ? 2.909 -2.616 -1.957 1.00 32.64 ? 3 GLU I OE1 1 ATOM 2086 O OE2 . GLU B 2 3 ? 3.327 -1.983 -4.037 1.00 33.54 ? 3 GLU I OE2 1 ATOM 2087 N N . GLU B 2 4 ? 7.613 -5.015 -3.659 1.00 37.93 ? 4 GLU I N 1 ATOM 2088 C CA . GLU B 2 4 ? 8.864 -4.481 -4.181 1.00 40.38 ? 4 GLU I CA 1 ATOM 2089 C C . GLU B 2 4 ? 8.937 -2.992 -3.872 1.00 41.57 ? 4 GLU I C 1 ATOM 2090 O O . GLU B 2 4 ? 7.934 -2.274 -3.949 1.00 40.65 ? 4 GLU I O 1 ATOM 2091 C CB . GLU B 2 4 ? 8.969 -4.718 -5.698 1.00 43.38 ? 4 GLU I CB 1 ATOM 2092 C CG . GLU B 2 4 ? 9.005 -6.188 -6.117 0.50 45.08 ? 4 GLU I CG 1 ATOM 2093 C CD . GLU B 2 4 ? 10.400 -6.790 -6.081 0.50 47.09 ? 4 GLU I CD 1 ATOM 2094 O OE1 . GLU B 2 4 ? 11.258 -6.373 -6.885 0.50 47.25 ? 4 GLU I OE1 1 ATOM 2095 O OE2 . GLU B 2 4 ? 10.641 -7.686 -5.245 0.50 49.79 ? 4 GLU I OE2 1 ATOM 2096 N N . ILE B 2 5 ? 10.121 -2.538 -3.497 1.00 40.48 ? 5 ILE I N 1 ATOM 2097 C CA . ILE B 2 5 ? 10.358 -1.121 -3.325 1.00 42.74 ? 5 ILE I CA 1 ATOM 2098 C C . ILE B 2 5 ? 11.010 -0.588 -4.601 1.00 46.28 ? 5 ILE I C 1 ATOM 2099 O O . ILE B 2 5 ? 11.629 -1.363 -5.323 1.00 46.12 ? 5 ILE I O 1 ATOM 2100 C CB . ILE B 2 5 ? 11.223 -0.855 -2.077 1.00 42.64 ? 5 ILE I CB 1 ATOM 2101 C CG1 . ILE B 2 5 ? 12.597 -1.523 -2.206 1.00 44.35 ? 5 ILE I CG1 1 ATOM 2102 C CG2 . ILE B 2 5 ? 10.498 -1.345 -0.827 1.00 40.59 ? 5 ILE I CG2 1 ATOM 2103 C CD1 . ILE B 2 5 ? 13.450 -1.433 -0.956 1.00 45.23 ? 5 ILE I CD1 1 ATOM 2104 N N . PRO B 2 6 ? 10.844 0.720 -4.905 1.00 50.67 ? 6 PRO I N 1 ATOM 2105 C CA . PRO B 2 6 ? 11.525 1.365 -6.035 1.00 52.59 ? 6 PRO I CA 1 ATOM 2106 C C . PRO B 2 6 ? 12.979 0.913 -6.235 1.00 57.61 ? 6 PRO I C 1 ATOM 2107 O O . PRO B 2 6 ? 13.721 0.716 -5.256 1.00 56.38 ? 6 PRO I O 1 ATOM 2108 C CB . PRO B 2 6 ? 11.475 2.845 -5.658 1.00 53.11 ? 6 PRO I CB 1 ATOM 2109 C CG . PRO B 2 6 ? 10.203 2.982 -4.878 1.00 53.36 ? 6 PRO I CG 1 ATOM 2110 C CD . PRO B 2 6 ? 9.832 1.624 -4.322 1.00 51.99 ? 6 PRO I CD 1 ATOM 2111 N N . GLU B 2 7 ? 13.364 0.765 -7.505 1.00 59.08 ? 7 GLU I N 1 ATOM 2112 C CA . GLU B 2 7 ? 14.654 0.183 -7.897 1.00 60.36 ? 7 GLU I CA 1 ATOM 2113 C C . GLU B 2 7 ? 15.884 0.898 -7.321 1.00 61.43 ? 7 GLU I C 1 ATOM 2114 O O . GLU B 2 7 ? 16.814 0.232 -6.854 1.00 62.03 ? 7 GLU I O 1 ATOM 2115 C CB . GLU B 2 7 ? 14.764 0.091 -9.424 0.50 56.58 ? 7 GLU I CB 1 ATOM 2116 C CG . GLU B 2 7 ? 13.818 -0.916 -10.055 0.50 56.28 ? 7 GLU I CG 1 ATOM 2117 C CD . GLU B 2 7 ? 14.068 -1.096 -11.537 0.50 54.14 ? 7 GLU I CD 1 ATOM 2118 O OE1 . GLU B 2 7 ? 14.879 -0.333 -12.104 0.50 51.77 ? 7 GLU I OE1 1 ATOM 2119 O OE2 . GLU B 2 7 ? 13.455 -2.002 -12.132 0.50 53.60 ? 7 GLU I OE2 1 ATOM 2120 N N . GLU B 2 8 ? 15.877 2.236 -7.343 1.00 62.66 ? 8 GLU I N 1 ATOM 2121 C CA . GLU B 2 8 ? 17.049 3.042 -6.945 1.00 64.99 ? 8 GLU I CA 1 ATOM 2122 C C . GLU B 2 8 ? 17.642 2.675 -5.572 1.00 66.68 ? 8 GLU I C 1 ATOM 2123 O O . GLU B 2 8 ? 18.858 2.753 -5.368 1.00 65.73 ? 8 GLU I O 1 ATOM 2124 C CB . GLU B 2 8 ? 16.771 4.559 -7.051 1.00 66.85 ? 8 GLU I CB 1 ATOM 2125 C CG . GLU B 2 8 ? 15.698 5.131 -6.126 1.00 70.10 ? 8 GLU I CG 1 ATOM 2126 C CD . GLU B 2 8 ? 14.283 5.034 -6.685 1.00 73.66 ? 8 GLU I CD 1 ATOM 2127 O OE1 . GLU B 2 8 ? 14.051 4.311 -7.687 1.00 72.56 ? 8 GLU I OE1 1 ATOM 2128 O OE2 . GLU B 2 8 ? 13.388 5.690 -6.107 1.00 77.60 ? 8 GLU I OE2 1 ATOM 2129 N N . TYR B 2 9 ? 16.779 2.245 -4.655 1.00 66.26 ? 9 TYR I N 1 ATOM 2130 C CA . TYR B 2 9 ? 17.189 1.884 -3.300 1.00 63.43 ? 9 TYR I CA 1 ATOM 2131 C C . TYR B 2 9 ? 17.918 0.532 -3.196 1.00 62.99 ? 9 TYR I C 1 ATOM 2132 O O . TYR B 2 9 ? 18.624 0.283 -2.212 1.00 66.50 ? 9 TYR I O 1 ATOM 2133 C CB . TYR B 2 9 ? 15.982 1.943 -2.352 1.00 63.35 ? 9 TYR I CB 1 ATOM 2134 C CG . TYR B 2 9 ? 15.252 3.280 -2.361 1.00 60.05 ? 9 TYR I CG 1 ATOM 2135 C CD1 . TYR B 2 9 ? 15.911 4.467 -2.005 1.00 57.91 ? 9 TYR I CD1 1 ATOM 2136 C CD2 . TYR B 2 9 ? 13.901 3.356 -2.716 1.00 59.54 ? 9 TYR I CD2 1 ATOM 2137 C CE1 . TYR B 2 9 ? 15.247 5.685 -2.013 1.00 55.93 ? 9 TYR I CE1 1 ATOM 2138 C CE2 . TYR B 2 9 ? 13.230 4.574 -2.727 1.00 60.18 ? 9 TYR I CE2 1 ATOM 2139 C CZ . TYR B 2 9 ? 13.909 5.728 -2.374 1.00 57.35 ? 9 TYR I CZ 1 ATOM 2140 O OH . TYR B 2 9 ? 13.247 6.925 -2.379 1.00 58.04 ? 9 TYR I OH 1 ATOM 2141 N N . LEU B 2 10 ? 17.757 -0.324 -4.207 0.75 55.29 ? 10 LEU I N 1 ATOM 2142 C CA . LEU B 2 10 ? 18.412 -1.632 -4.234 0.50 49.80 ? 10 LEU I CA 1 ATOM 2143 C C . LEU B 2 10 ? 19.634 -1.624 -5.153 0.50 49.22 ? 10 LEU I C 1 ATOM 2144 O O . LEU B 2 10 ? 20.602 -0.888 -4.954 0.50 47.15 ? 10 LEU I O 1 ATOM 2145 C CB . LEU B 2 10 ? 17.434 -2.713 -4.694 0.50 46.95 ? 10 LEU I CB 1 ATOM 2146 C CG . LEU B 2 10 ? 16.147 -2.941 -3.903 0.50 45.22 ? 10 LEU I CG 1 ATOM 2147 C CD1 . LEU B 2 10 ? 15.230 -3.869 -4.682 0.50 45.23 ? 10 LEU I CD1 1 ATOM 2148 C CD2 . LEU B 2 10 ? 16.444 -3.508 -2.523 0.50 45.14 ? 10 LEU I CD2 1 ATOM 2149 N N . GLN B 2 11 ? 19.674 -2.363 -6.134 0.50 48.26 ? 11 GLN I N 1 ATOM 2150 N N . ALA C 3 1 A 13.761 18.785 20.373 1.00 36.01 ? 1 ALA L N 1 ATOM 2151 C CA . ALA C 3 1 A 13.394 20.247 20.403 1.00 38.09 ? 1 ALA L CA 1 ATOM 2152 C C . ALA C 3 1 A 11.885 20.370 20.267 1.00 33.53 ? 1 ALA L C 1 ATOM 2153 O O . ALA C 3 1 A 11.180 20.843 21.154 1.00 34.56 ? 1 ALA L O 1 ATOM 2154 C CB . ALA C 3 1 A 14.080 20.978 19.269 1.00 37.89 ? 1 ALA L CB 1 ATOM 2155 N N . ASP C 3 2 B 11.430 19.931 19.107 1.00 29.28 ? 1 ASP L N 1 ATOM 2156 C CA . ASP C 3 2 B 10.084 19.517 18.860 1.00 27.76 ? 1 ASP L CA 1 ATOM 2157 C C . ASP C 3 2 B 9.884 17.996 19.159 1.00 22.34 ? 1 ASP L C 1 ATOM 2158 O O . ASP C 3 2 B 8.797 17.426 18.920 1.00 20.07 ? 1 ASP L O 1 ATOM 2159 C CB . ASP C 3 2 B 9.835 19.762 17.389 1.00 32.31 ? 1 ASP L CB 1 ATOM 2160 C CG . ASP C 3 2 B 8.453 20.133 17.128 1.00 39.56 ? 1 ASP L CG 1 ATOM 2161 O OD1 . ASP C 3 2 B 7.754 20.419 18.128 1.00 43.60 ? 1 ASP L OD1 1 ATOM 2162 O OD2 . ASP C 3 2 B 8.068 20.144 15.937 1.00 45.81 ? 1 ASP L OD2 1 ATOM 2163 N N . CYS C 3 3 ? 10.922 17.359 19.694 1.00 17.43 ? 1 CYS L N 1 ATOM 2164 C CA . CYS C 3 3 ? 10.906 15.914 19.881 1.00 16.24 ? 1 CYS L CA 1 ATOM 2165 C C . CYS C 3 3 ? 9.714 15.421 20.709 1.00 15.37 ? 1 CYS L C 1 ATOM 2166 O O . CYS C 3 3 ? 9.275 16.087 21.655 1.00 15.26 ? 1 CYS L O 1 ATOM 2167 C CB . CYS C 3 3 ? 12.242 15.428 20.496 1.00 14.71 ? 1 CYS L CB 1 ATOM 2168 S SG . CYS C 3 3 ? 12.497 15.823 22.238 1.00 15.21 ? 1 CYS L SG 1 ATOM 2169 N N . GLY C 3 4 ? 9.191 14.256 20.329 1.00 15.10 ? 2 GLY L N 1 ATOM 2170 C CA . GLY C 3 4 ? 8.255 13.521 21.163 1.00 14.59 ? 2 GLY L CA 1 ATOM 2171 C C . GLY C 3 4 ? 6.862 14.118 21.216 1.00 14.88 ? 2 GLY L C 1 ATOM 2172 O O . GLY C 3 4 ? 6.063 13.685 22.017 1.00 15.27 ? 2 GLY L O 1 ATOM 2173 N N . LEU C 3 5 ? 6.586 15.120 20.376 1.00 14.21 ? 3 LEU L N 1 ATOM 2174 C CA . LEU C 3 5 ? 5.249 15.686 20.225 1.00 14.75 ? 3 LEU L CA 1 ATOM 2175 C C . LEU C 3 5 ? 4.734 15.272 18.867 1.00 14.35 ? 3 LEU L C 1 ATOM 2176 O O . LEU C 3 5 ? 5.262 15.718 17.844 1.00 15.13 ? 3 LEU L O 1 ATOM 2177 C CB . LEU C 3 5 ? 5.283 17.219 20.381 1.00 15.59 ? 3 LEU L CB 1 ATOM 2178 C CG . LEU C 3 5 ? 5.670 17.722 21.782 1.00 17.60 ? 3 LEU L CG 1 ATOM 2179 C CD1 . LEU C 3 5 ? 5.882 19.247 21.813 1.00 18.83 ? 3 LEU L CD1 1 ATOM 2180 C CD2 . LEU C 3 5 ? 4.629 17.305 22.821 1.00 17.20 ? 3 LEU L CD2 1 ATOM 2181 N N . ARG C 3 6 ? 3.755 14.368 18.848 1.00 12.80 ? 4 ARG L N 1 ATOM 2182 C CA . ARG C 3 6 ? 3.255 13.799 17.589 1.00 12.54 ? 4 ARG L CA 1 ATOM 2183 C C . ARG C 3 6 ? 2.327 14.755 16.843 1.00 13.15 ? 4 ARG L C 1 ATOM 2184 O O . ARG C 3 6 ? 1.361 15.266 17.417 1.00 13.04 ? 4 ARG L O 1 ATOM 2185 C CB . ARG C 3 6 ? 2.538 12.463 17.821 1.00 11.74 ? 4 ARG L CB 1 ATOM 2186 C CG . ARG C 3 6 ? 3.382 11.411 18.578 1.00 11.74 ? 4 ARG L CG 1 ATOM 2187 C CD . ARG C 3 6 ? 2.502 10.232 19.006 1.00 12.07 ? 4 ARG L CD 1 ATOM 2188 N NE . ARG C 3 6 ? 1.552 10.599 20.073 1.00 11.66 ? 4 ARG L NE 1 ATOM 2189 C CZ . ARG C 3 6 ? 0.665 9.767 20.604 1.00 12.02 ? 4 ARG L CZ 1 ATOM 2190 N NH1 . ARG C 3 6 ? 0.603 8.490 20.186 1.00 11.99 ? 4 ARG L NH1 1 ATOM 2191 N NH2 . ARG C 3 6 ? -0.150 10.189 21.570 1.00 11.42 ? 4 ARG L NH2 1 ATOM 2192 N N . PRO C 3 7 ? 2.563 14.932 15.540 1.00 13.68 ? 5 PRO L N 1 ATOM 2193 C CA . PRO C 3 7 ? 1.742 15.857 14.739 1.00 13.68 ? 5 PRO L CA 1 ATOM 2194 C C . PRO C 3 7 ? 0.270 15.487 14.774 1.00 14.28 ? 5 PRO L C 1 ATOM 2195 O O . PRO C 3 7 ? -0.581 16.390 14.843 1.00 15.40 ? 5 PRO L O 1 ATOM 2196 C CB . PRO C 3 7 ? 2.303 15.679 13.315 1.00 14.06 ? 5 PRO L CB 1 ATOM 2197 C CG . PRO C 3 7 ? 3.731 15.313 13.530 1.00 14.27 ? 5 PRO L CG 1 ATOM 2198 C CD . PRO C 3 7 ? 3.737 14.444 14.787 1.00 14.05 ? 5 PRO L CD 1 ATOM 2199 N N . LEU C 3 8 ? -0.065 14.198 14.787 1.00 13.00 ? 6 LEU L N 1 ATOM 2200 C CA . LEU C 3 8 ? -1.487 13.828 14.759 1.00 13.51 ? 6 LEU L CA 1 ATOM 2201 C C . LEU C 3 8 ? -2.139 13.660 16.107 1.00 13.05 ? 6 LEU L C 1 ATOM 2202 O O . LEU C 3 8 ? -3.345 13.354 16.181 1.00 13.39 ? 6 LEU L O 1 ATOM 2203 C CB . LEU C 3 8 ? -1.755 12.578 13.897 1.00 13.18 ? 6 LEU L CB 1 ATOM 2204 C CG . LEU C 3 8 ? -1.320 12.762 12.438 1.00 14.48 ? 6 LEU L CG 1 ATOM 2205 C CD1 . LEU C 3 8 ? -1.450 11.464 11.650 1.00 14.98 ? 6 LEU L CD1 1 ATOM 2206 C CD2 . LEU C 3 8 ? -2.099 13.876 11.767 1.00 15.58 ? 6 LEU L CD2 1 ATOM 2207 N N . PHE C 3 9 ? -1.360 13.827 17.162 1.00 12.45 ? 7 PHE L N 1 ATOM 2208 C CA . PHE C 3 9 ? -1.902 13.662 18.517 1.00 12.85 ? 7 PHE L CA 1 ATOM 2209 C C . PHE C 3 9 ? -1.576 14.890 19.352 1.00 13.15 ? 7 PHE L C 1 ATOM 2210 O O . PHE C 3 9 ? -2.386 15.828 19.350 1.00 14.26 ? 7 PHE L O 1 ATOM 2211 C CB . PHE C 3 9 ? -1.433 12.335 19.135 1.00 12.89 ? 7 PHE L CB 1 ATOM 2212 C CG . PHE C 3 9 ? -2.014 11.147 18.430 1.00 13.64 ? 7 PHE L CG 1 ATOM 2213 C CD1 . PHE C 3 9 ? -3.285 10.727 18.717 1.00 13.33 ? 7 PHE L CD1 1 ATOM 2214 C CD2 . PHE C 3 9 ? -1.317 10.521 17.389 1.00 14.25 ? 7 PHE L CD2 1 ATOM 2215 C CE1 . PHE C 3 9 ? -3.880 9.670 18.024 1.00 13.86 ? 7 PHE L CE1 1 ATOM 2216 C CE2 . PHE C 3 9 ? -1.900 9.455 16.707 1.00 14.08 ? 7 PHE L CE2 1 ATOM 2217 C CZ . PHE C 3 9 ? -3.178 9.031 17.024 1.00 14.27 ? 7 PHE L CZ 1 ATOM 2218 N N . GLU C 3 10 ? -0.398 14.963 19.987 1.00 12.69 ? 8 GLU L N 1 ATOM 2219 C CA . GLU C 3 10 ? -0.113 16.084 20.897 1.00 13.93 ? 8 GLU L CA 1 ATOM 2220 C C . GLU C 3 10 ? -0.278 17.444 20.224 1.00 15.39 ? 8 GLU L C 1 ATOM 2221 O O . GLU C 3 10 ? -0.789 18.376 20.844 1.00 14.46 ? 8 GLU L O 1 ATOM 2222 C CB . GLU C 3 10 ? 1.291 16.012 21.528 1.00 13.23 ? 8 GLU L CB 1 ATOM 2223 C CG . GLU C 3 10 ? 1.373 14.956 22.633 1.00 12.70 ? 8 GLU L CG 1 ATOM 2224 C CD . GLU C 3 10 ? 1.450 13.537 22.085 1.00 12.77 ? 8 GLU L CD 1 ATOM 2225 O OE1 . GLU C 3 10 ? 1.745 13.360 20.877 1.00 11.88 ? 8 GLU L OE1 1 ATOM 2226 O OE2 . GLU C 3 10 ? 1.184 12.606 22.857 1.00 12.68 ? 8 GLU L OE2 1 ATOM 2227 N N . LYS C 3 11 ? 0.178 17.571 18.973 1.00 16.77 ? 9 LYS L N 1 ATOM 2228 C CA . LYS C 3 11 ? 0.160 18.893 18.320 1.00 17.96 ? 9 LYS L CA 1 ATOM 2229 C C . LYS C 3 11 ? -1.273 19.363 18.034 1.00 17.93 ? 9 LYS L C 1 ATOM 2230 O O . LYS C 3 11 ? -1.512 20.560 17.911 1.00 18.53 ? 9 LYS L O 1 ATOM 2231 C CB . LYS C 3 11 ? 1.034 18.907 17.052 1.00 20.70 ? 9 LYS L CB 1 ATOM 2232 C CG . LYS C 3 11 ? 2.510 18.735 17.398 1.00 25.68 ? 9 LYS L CG 1 ATOM 2233 C CD . LYS C 3 11 ? 3.399 18.723 16.161 1.00 30.71 ? 9 LYS L CD 1 ATOM 2234 C CE . LYS C 3 11 ? 4.828 19.079 16.516 1.00 35.58 ? 9 LYS L CE 1 ATOM 2235 N NZ . LYS C 3 11 ? 5.552 19.438 15.256 1.00 37.69 ? 9 LYS L NZ 1 ATOM 2236 N N . LYS C 3 12 ? -2.221 18.428 17.964 1.00 18.30 ? 10 LYS L N 1 ATOM 2237 C CA . LYS C 3 12 ? -3.641 18.751 17.766 1.00 19.38 ? 10 LYS L CA 1 ATOM 2238 C C . LYS C 3 12 ? -4.466 18.600 19.033 1.00 18.95 ? 10 LYS L C 1 ATOM 2239 O O . LYS C 3 12 ? -5.708 18.731 18.973 1.00 19.57 ? 10 LYS L O 1 ATOM 2240 C CB . LYS C 3 12 ? -4.291 17.807 16.746 1.00 20.32 ? 10 LYS L CB 1 ATOM 2241 C CG . LYS C 3 12 ? -3.790 17.911 15.328 1.00 23.62 ? 10 LYS L CG 1 ATOM 2242 C CD . LYS C 3 12 ? -4.647 16.967 14.490 1.00 25.23 ? 10 LYS L CD 1 ATOM 2243 C CE . LYS C 3 12 ? -4.410 17.167 13.007 1.00 30.29 ? 10 LYS L CE 1 ATOM 2244 N NZ . LYS C 3 12 ? -5.365 16.310 12.244 1.00 31.02 ? 10 LYS L NZ 1 ATOM 2245 N N . SER C 3 13 ? -3.808 18.297 20.145 1.00 18.09 ? 11 SER L N 1 ATOM 2246 C CA . SER C 3 13 ? -4.492 17.969 21.402 1.00 19.24 ? 11 SER L CA 1 ATOM 2247 C C . SER C 3 13 ? -5.495 16.807 21.257 1.00 20.41 ? 11 SER L C 1 ATOM 2248 O O . SER C 3 13 ? -6.642 16.885 21.748 1.00 21.06 ? 11 SER L O 1 ATOM 2249 C CB . SER C 3 13 ? -5.181 19.214 21.986 1.00 19.79 ? 11 SER L CB 1 ATOM 2250 O OG . SER C 3 13 ? -5.622 18.933 23.293 1.00 24.08 ? 11 SER L OG 1 ATOM 2251 N N . LEU C 3 14 ? -5.083 15.742 20.560 1.00 17.73 ? 12 LEU L N 1 ATOM 2252 C CA . LEU C 3 14 ? -5.877 14.525 20.450 1.00 17.75 ? 12 LEU L CA 1 ATOM 2253 C C . LEU C 3 14 ? -5.106 13.403 21.139 1.00 18.22 ? 12 LEU L C 1 ATOM 2254 O O . LEU C 3 14 ? -3.884 13.405 21.110 1.00 14.93 ? 12 LEU L O 1 ATOM 2255 C CB . LEU C 3 14 ? -6.135 14.168 18.991 1.00 18.58 ? 12 LEU L CB 1 ATOM 2256 C CG . LEU C 3 14 ? -7.081 15.051 18.153 1.00 19.02 ? 12 LEU L CG 1 ATOM 2257 C CD1 . LEU C 3 14 ? -6.957 14.598 16.705 1.00 19.57 ? 12 LEU L CD1 1 ATOM 2258 C CD2 . LEU C 3 14 ? -8.525 14.956 18.660 1.00 19.78 ? 12 LEU L CD2 1 ATOM 2259 N N . GLU C 3 15 ? -5.812 12.482 21.784 1.00 19.33 ? 13 GLU L N 1 ATOM 2260 C CA . GLU C 3 15 ? -5.146 11.410 22.539 1.00 19.76 ? 13 GLU L CA 1 ATOM 2261 C C . GLU C 3 15 ? -5.312 10.167 21.753 1.00 17.70 ? 13 GLU L C 1 ATOM 2262 O O . GLU C 3 15 ? -6.358 10.001 21.116 1.00 17.18 ? 13 GLU L O 1 ATOM 2263 C CB . GLU C 3 15 ? -5.814 11.180 23.882 1.00 23.44 ? 13 GLU L CB 1 ATOM 2264 C CG . GLU C 3 15 ? -5.605 12.332 24.836 1.00 30.55 ? 13 GLU L CG 1 ATOM 2265 C CD . GLU C 3 15 ? -6.164 12.062 26.224 1.00 35.76 ? 13 GLU L CD 1 ATOM 2266 O OE1 . GLU C 3 15 ? -6.856 11.030 26.430 1.00 37.93 ? 13 GLU L OE1 1 ATOM 2267 O OE2 . GLU C 3 15 ? -5.895 12.902 27.110 1.00 42.17 ? 13 GLU L OE2 1 ATOM 2268 N N . ASP C 3 16 ? -4.314 9.275 21.805 1.00 15.40 ? 14 ASP L N 1 ATOM 2269 C CA . ASP C 3 16 ? -4.490 7.939 21.225 1.00 14.84 ? 14 ASP L CA 1 ATOM 2270 C C . ASP C 3 16 ? -5.327 7.055 22.151 1.00 14.93 ? 14 ASP L C 1 ATOM 2271 O O . ASP C 3 16 ? -5.599 7.432 23.314 1.00 15.13 ? 14 ASP L O 1 ATOM 2272 C CB . ASP C 3 16 ? -3.143 7.292 20.750 1.00 14.11 ? 14 ASP L CB 1 ATOM 2273 C CG . ASP C 3 16 ? -2.262 6.835 21.888 1.00 13.76 ? 14 ASP L CG 1 ATOM 2274 O OD1 . ASP C 3 16 ? -2.754 6.107 22.793 1.00 13.81 ? 14 ASP L OD1 1 ATOM 2275 O OD2 . ASP C 3 16 ? -1.045 7.190 21.884 1.00 13.92 ? 14 ASP L OD2 1 ATOM 2276 N N . LYS C 3 17 A -5.737 5.892 21.640 1.00 16.11 ? 14 LYS L N 1 ATOM 2277 C CA . LYS C 3 17 A -6.714 5.023 22.310 1.00 17.67 ? 14 LYS L CA 1 ATOM 2278 C C . LYS C 3 17 A -6.237 4.400 23.622 1.00 17.52 ? 14 LYS L C 1 ATOM 2279 O O . LYS C 3 17 A -7.050 4.009 24.446 1.00 17.11 ? 14 LYS L O 1 ATOM 2280 C CB . LYS C 3 17 A -7.179 3.904 21.358 1.00 19.68 ? 14 LYS L CB 1 ATOM 2281 C CG . LYS C 3 17 A -8.097 4.377 20.243 0.50 20.89 ? 14 LYS L CG 1 ATOM 2282 C CD . LYS C 3 17 A -8.238 3.326 19.154 0.50 23.63 ? 14 LYS L CD 1 ATOM 2283 C CE . LYS C 3 17 A -9.117 3.839 18.022 0.50 24.86 ? 14 LYS L CE 1 ATOM 2284 N NZ . LYS C 3 17 A -10.204 4.696 18.576 0.50 25.01 ? 14 LYS L NZ 1 ATOM 2285 N N . THR C 3 18 B -4.932 4.287 23.840 1.00 16.21 ? 14 THR L N 1 ATOM 2286 C CA . THR C 3 18 B -4.499 3.645 25.071 1.00 16.25 ? 14 THR L CA 1 ATOM 2287 C C . THR C 3 18 B -3.481 4.461 25.853 1.00 16.32 ? 14 THR L C 1 ATOM 2288 O O . THR C 3 18 B -2.944 3.953 26.831 1.00 17.92 ? 14 THR L O 1 ATOM 2289 C CB . THR C 3 18 B -3.889 2.247 24.820 1.00 16.19 ? 14 THR L CB 1 ATOM 2290 O OG1 . THR C 3 18 B -2.681 2.390 24.068 1.00 14.96 ? 14 THR L OG1 1 ATOM 2291 C CG2 . THR C 3 18 B -4.850 1.330 24.060 1.00 16.56 ? 14 THR L CG2 1 ATOM 2292 N N . GLU C 3 19 C -3.185 5.709 25.467 1.00 15.57 ? 14 GLU L N 1 ATOM 2293 C CA . GLU C 3 19 C -2.163 6.448 26.260 1.00 15.65 ? 14 GLU L CA 1 ATOM 2294 C C . GLU C 3 19 C -2.584 6.737 27.699 1.00 16.63 ? 14 GLU L C 1 ATOM 2295 O O . GLU C 3 19 C -1.729 6.898 28.567 1.00 16.75 ? 14 GLU L O 1 ATOM 2296 C CB . GLU C 3 19 C -1.670 7.715 25.579 1.00 15.44 ? 14 GLU L CB 1 ATOM 2297 C CG . GLU C 3 19 C -2.774 8.715 25.258 1.00 16.24 ? 14 GLU L CG 1 ATOM 2298 C CD . GLU C 3 19 C -2.216 9.990 24.705 1.00 15.99 ? 14 GLU L CD 1 ATOM 2299 O OE1 . GLU C 3 19 C -1.757 10.840 25.509 1.00 17.53 ? 14 GLU L OE1 1 ATOM 2300 O OE2 . GLU C 3 19 C -2.204 10.124 23.467 1.00 16.66 ? 14 GLU L OE2 1 ATOM 2301 N N . ARG C 3 20 D -3.895 6.803 27.948 1.00 17.06 ? 14 ARG L N 1 ATOM 2302 C CA . ARG C 3 20 D -4.393 7.012 29.292 1.00 19.71 ? 14 ARG L CA 1 ATOM 2303 C C . ARG C 3 20 D -3.943 5.914 30.250 1.00 18.23 ? 14 ARG L C 1 ATOM 2304 O O . ARG C 3 20 D -3.704 6.179 31.433 1.00 20.72 ? 14 ARG L O 1 ATOM 2305 C CB . ARG C 3 20 D -5.925 7.069 29.268 1.00 22.13 ? 14 ARG L CB 1 ATOM 2306 C CG . ARG C 3 20 D -6.518 7.623 30.547 1.00 25.57 ? 14 ARG L CG 1 ATOM 2307 C CD . ARG C 3 20 D -7.775 8.448 30.292 0.50 26.67 ? 14 ARG L CD 1 ATOM 2308 N NE . ARG C 3 20 D -7.467 9.718 29.629 0.50 28.47 ? 14 ARG L NE 1 ATOM 2309 C CZ . ARG C 3 20 D -8.291 10.762 29.596 0.50 29.38 ? 14 ARG L CZ 1 ATOM 2310 N NH1 . ARG C 3 20 D -9.464 10.690 30.208 0.50 29.47 ? 14 ARG L NH1 1 ATOM 2311 N NH2 . ARG C 3 20 D -7.940 11.880 28.972 0.50 29.49 ? 14 ARG L NH2 1 ATOM 2312 N N . GLU C 3 21 E -3.839 4.689 29.743 1.00 17.34 ? 14 GLU L N 1 ATOM 2313 C CA . GLU C 3 21 E -3.377 3.544 30.529 1.00 17.58 ? 14 GLU L CA 1 ATOM 2314 C C . GLU C 3 21 E -1.950 3.796 31.060 1.00 16.21 ? 14 GLU L C 1 ATOM 2315 O O . GLU C 3 21 E -1.642 3.497 32.217 1.00 15.30 ? 14 GLU L O 1 ATOM 2316 C CB . GLU C 3 21 E -3.453 2.261 29.700 1.00 18.99 ? 14 GLU L CB 1 ATOM 2317 C CG . GLU C 3 21 E -2.901 1.024 30.400 1.00 22.88 ? 14 GLU L CG 1 ATOM 2318 C CD . GLU C 3 21 E -2.768 -0.207 29.499 1.00 23.14 ? 14 GLU L CD 1 ATOM 2319 O OE1 . GLU C 3 21 E -3.090 -0.134 28.288 1.00 25.37 ? 14 GLU L OE1 1 ATOM 2320 O OE2 . GLU C 3 21 E -2.333 -1.265 30.010 1.00 23.08 ? 14 GLU L OE2 1 ATOM 2321 N N . LEU C 3 22 F -1.090 4.388 30.246 1.00 15.85 ? 14 LEU L N 1 ATOM 2322 C CA . LEU C 3 22 F 0.248 4.757 30.715 1.00 15.77 ? 14 LEU L CA 1 ATOM 2323 C C . LEU C 3 22 F 0.143 5.815 31.807 1.00 16.78 ? 14 LEU L C 1 ATOM 2324 O O . LEU C 3 22 F 0.664 5.611 32.905 1.00 16.38 ? 14 LEU L O 1 ATOM 2325 C CB . LEU C 3 22 F 1.104 5.305 29.567 1.00 16.42 ? 14 LEU L CB 1 ATOM 2326 C CG . LEU C 3 22 F 1.186 4.428 28.328 1.00 18.60 ? 14 LEU L CG 1 ATOM 2327 C CD1 . LEU C 3 22 F 2.152 5.078 27.355 1.00 18.06 ? 14 LEU L CD1 1 ATOM 2328 C CD2 . LEU C 3 22 F 1.559 2.986 28.647 1.00 17.38 ? 14 LEU L CD2 1 ATOM 2329 N N . LEU C 3 23 G -0.551 6.921 31.502 1.00 17.73 ? 14 LEU L N 1 ATOM 2330 C CA . LEU C 3 23 G -0.698 8.037 32.457 1.00 19.43 ? 14 LEU L CA 1 ATOM 2331 C C . LEU C 3 23 G -1.262 7.565 33.800 1.00 18.67 ? 14 LEU L C 1 ATOM 2332 O O . LEU C 3 23 G -0.785 7.984 34.862 1.00 19.10 ? 14 LEU L O 1 ATOM 2333 C CB . LEU C 3 23 G -1.550 9.184 31.871 1.00 22.01 ? 14 LEU L CB 1 ATOM 2334 C CG . LEU C 3 23 G -1.991 10.328 32.836 1.00 26.70 ? 14 LEU L CG 1 ATOM 2335 C CD1 . LEU C 3 23 G -0.816 11.069 33.490 1.00 28.85 ? 14 LEU L CD1 1 ATOM 2336 C CD2 . LEU C 3 23 G -2.963 11.334 32.204 1.00 26.49 ? 14 LEU L CD2 1 ATOM 2337 N N . GLU C 3 24 H -2.259 6.681 33.751 1.00 19.08 ? 14 GLU L N 1 ATOM 2338 C CA . GLU C 3 24 H -2.881 6.171 34.978 1.00 19.23 ? 14 GLU L CA 1 ATOM 2339 C C . GLU C 3 24 H -1.913 5.317 35.782 1.00 20.10 ? 14 GLU L C 1 ATOM 2340 O O . GLU C 3 24 H -2.087 5.148 36.985 1.00 19.79 ? 14 GLU L O 1 ATOM 2341 C CB . GLU C 3 24 H -4.137 5.372 34.650 1.00 20.71 ? 14 GLU L CB 1 ATOM 2342 C CG . GLU C 3 24 H -5.264 6.292 34.230 1.00 23.53 ? 14 GLU L CG 1 ATOM 2343 C CD . GLU C 3 24 H -6.505 5.564 33.769 1.00 25.79 ? 14 GLU L CD 1 ATOM 2344 O OE1 . GLU C 3 24 H -6.496 4.318 33.619 1.00 26.44 ? 14 GLU L OE1 1 ATOM 2345 O OE2 . GLU C 3 24 H -7.500 6.276 33.546 1.00 29.37 ? 14 GLU L OE2 1 ATOM 2346 N N . SER C 3 25 I -0.878 4.796 35.134 1.00 18.53 ? 14 SER L N 1 ATOM 2347 C CA . SER C 3 25 I 0.099 3.974 35.837 1.00 18.74 ? 14 SER L CA 1 ATOM 2348 C C . SER C 3 25 I 1.166 4.834 36.538 1.00 20.17 ? 14 SER L C 1 ATOM 2349 O O . SER C 3 25 I 1.906 4.319 37.373 1.00 20.68 ? 14 SER L O 1 ATOM 2350 C CB . SER C 3 25 I 0.750 2.977 34.863 1.00 18.98 ? 14 SER L CB 1 ATOM 2351 O OG . SER C 3 25 I 1.771 3.623 34.105 1.00 18.76 ? 14 SER L OG 1 ATOM 2352 N N . TYR C 3 26 J 1.262 6.124 36.195 1.00 20.22 ? 14 TYR L N 1 ATOM 2353 C CA . TYR C 3 26 J 2.322 6.985 36.742 1.00 24.27 ? 14 TYR L CA 1 ATOM 2354 C C . TYR C 3 26 J 1.893 7.619 38.067 1.00 30.48 ? 14 TYR L C 1 ATOM 2355 O O . TYR C 3 26 J 1.597 8.813 38.112 1.00 33.00 ? 14 TYR L O 1 ATOM 2356 C CB . TYR C 3 26 J 2.744 8.081 35.742 1.00 22.27 ? 14 TYR L CB 1 ATOM 2357 C CG . TYR C 3 26 J 3.183 7.570 34.371 1.00 21.38 ? 14 TYR L CG 1 ATOM 2358 C CD1 . TYR C 3 26 J 3.750 6.300 34.219 1.00 19.91 ? 14 TYR L CD1 1 ATOM 2359 C CD2 . TYR C 3 26 J 3.049 8.370 33.232 1.00 21.00 ? 14 TYR L CD2 1 ATOM 2360 C CE1 . TYR C 3 26 J 4.143 5.824 32.965 1.00 20.29 ? 14 TYR L CE1 1 ATOM 2361 C CE2 . TYR C 3 26 J 3.438 7.900 31.973 1.00 20.77 ? 14 TYR L CE2 1 ATOM 2362 C CZ . TYR C 3 26 J 4.004 6.629 31.839 1.00 20.20 ? 14 TYR L CZ 1 ATOM 2363 O OH . TYR C 3 26 J 4.401 6.137 30.566 1.00 19.37 ? 14 TYR L OH 1 ATOM 2364 N N . ILE C 3 27 K 1.863 6.815 39.128 1.00 35.44 ? 14 ILE L N 1 ATOM 2365 C CA . ILE C 3 27 K 1.241 7.211 40.407 1.00 45.38 ? 14 ILE L CA 1 ATOM 2366 C C . ILE C 3 27 K 2.162 8.066 41.280 1.00 51.35 ? 14 ILE L C 1 ATOM 2367 O O . ILE C 3 27 K 1.784 9.142 41.737 1.00 57.32 ? 14 ILE L O 1 ATOM 2368 C CB . ILE C 3 27 K 0.739 5.988 41.222 1.00 47.16 ? 14 ILE L CB 1 ATOM 2369 C CG1 . ILE C 3 27 K 1.873 4.963 41.422 1.00 50.59 ? 14 ILE L CG1 1 ATOM 2370 C CG2 . ILE C 3 27 K -0.475 5.357 40.546 1.00 46.05 ? 14 ILE L CG2 1 ATOM 2371 C CD1 . ILE C 3 27 K 1.660 3.953 42.535 1.00 54.13 ? 14 ILE L CD1 1 ATOM 2372 N N . ASP C 3 28 ? 3.310 7.716 41.556 1.00 55.27 ? 15 ASP L N 1 HETATM 2373 NA NA . NA D 4 . ? 18.847 -15.690 38.126 1.00 19.17 ? 1244 NA H NA 1 HETATM 2374 NA NA . NA E 4 . ? 5.856 -13.181 30.389 1.00 22.54 ? 1245 NA H NA 1 HETATM 2375 N N1 . N5N F 5 . ? 17.737 -12.975 21.127 1.00 26.89 ? 1246 N5N H N1 1 HETATM 2376 C C2 . N5N F 5 . ? 18.683 -13.722 20.352 1.00 27.96 ? 1246 N5N H C2 1 HETATM 2377 C C3 . N5N F 5 . ? 16.879 -13.615 22.019 1.00 25.89 ? 1246 N5N H C3 1 HETATM 2378 C C4 . N5N F 5 . ? 17.659 -11.582 20.844 1.00 26.71 ? 1246 N5N H C4 1 HETATM 2379 C C5 . N5N F 5 . ? 20.070 -13.147 20.065 1.00 28.78 ? 1246 N5N H C5 1 HETATM 2380 C C6 . N5N F 5 . ? 19.920 -14.328 20.977 1.00 28.74 ? 1246 N5N H C6 1 HETATM 2381 C C7 . N5N F 5 . ? 16.946 -15.160 22.165 1.00 25.53 ? 1246 N5N H C7 1 HETATM 2382 O O8 . N5N F 5 . ? 16.058 -12.975 22.691 1.00 22.65 ? 1246 N5N H O8 1 HETATM 2383 C C9 . N5N F 5 . ? 16.666 -11.627 19.679 1.00 27.21 ? 1246 N5N H C9 1 HETATM 2384 N N10 . N5N F 5 . ? 16.485 -15.646 23.411 1.00 25.72 ? 1246 N5N H N10 1 HETATM 2385 C C11 . N5N F 5 . ? 15.977 -15.656 21.055 1.00 25.83 ? 1246 N5N H C11 1 HETATM 2386 O O12 . N5N F 5 . ? 16.590 -10.557 18.856 1.00 25.88 ? 1246 N5N H O12 1 HETATM 2387 O O13 . N5N F 5 . ? 15.920 -12.553 19.365 1.00 27.02 ? 1246 N5N H O13 1 HETATM 2388 S S14 . N5N F 5 . ? 17.412 -16.746 24.138 1.00 26.90 ? 1246 N5N H S14 1 HETATM 2389 C C15 . N5N F 5 . ? 14.484 -15.331 21.312 1.00 27.31 ? 1246 N5N H C15 1 HETATM 2390 C C16 . N5N F 5 . ? 18.743 -15.826 24.575 1.00 26.40 ? 1246 N5N H C16 1 HETATM 2391 O O17 . N5N F 5 . ? 16.688 -17.072 25.291 1.00 26.20 ? 1246 N5N H O17 1 HETATM 2392 O O18 . N5N F 5 . ? 17.662 -17.684 23.135 1.00 25.87 ? 1246 N5N H O18 1 HETATM 2393 N N19 . N5N F 5 . ? 13.887 -14.227 20.723 1.00 23.52 ? 1246 N5N H N19 1 HETATM 2394 O O20 . N5N F 5 . ? 13.786 -16.085 22.030 1.00 28.71 ? 1246 N5N H O20 1 HETATM 2395 C C21 . N5N F 5 . ? 20.040 -16.017 24.153 1.00 27.34 ? 1246 N5N H C21 1 HETATM 2396 C C22 . N5N F 5 . ? 18.475 -14.750 25.465 1.00 28.20 ? 1246 N5N H C22 1 HETATM 2397 C C23 . N5N F 5 . ? 12.499 -13.898 20.899 1.00 21.85 ? 1246 N5N H C23 1 HETATM 2398 C C24 . N5N F 5 . ? 21.057 -15.140 24.618 1.00 26.87 ? 1246 N5N H C24 1 HETATM 2399 C C25 . N5N F 5 . ? 19.433 -13.899 25.925 1.00 26.45 ? 1246 N5N H C25 1 HETATM 2400 C C26 . N5N F 5 . ? 12.190 -12.450 21.333 1.00 20.59 ? 1246 N5N H C26 1 HETATM 2401 C C27 . N5N F 5 . ? 20.748 -14.080 25.510 1.00 26.90 ? 1246 N5N H C27 1 HETATM 2402 C C28 . N5N F 5 . ? 22.399 -15.294 24.212 1.00 26.71 ? 1246 N5N H C28 1 HETATM 2403 C C29 . N5N F 5 . ? 12.576 -12.316 22.809 1.00 19.04 ? 1246 N5N H C29 1 HETATM 2404 C C30 . N5N F 5 . ? 12.971 -11.434 20.502 1.00 18.64 ? 1246 N5N H C30 1 HETATM 2405 C C31 . N5N F 5 . ? 21.761 -13.202 25.970 1.00 27.84 ? 1246 N5N H C31 1 HETATM 2406 C C32 . N5N F 5 . ? 23.363 -14.435 24.658 1.00 27.93 ? 1246 N5N H C32 1 HETATM 2407 N N33 . N5N F 5 . ? 12.438 -10.966 23.338 1.00 18.01 ? 1246 N5N H N33 1 HETATM 2408 C C34 . N5N F 5 . ? 12.688 -10.032 21.030 1.00 18.96 ? 1246 N5N H C34 1 HETATM 2409 C C35 . N5N F 5 . ? 23.047 -13.379 25.547 1.00 27.65 ? 1246 N5N H C35 1 HETATM 2410 C C36 . N5N F 5 . ? 13.038 -9.916 22.512 1.00 16.52 ? 1246 N5N H C36 1 HETATM 2411 C C37 . N5N F 5 . ? 11.225 -10.771 24.116 1.00 16.68 ? 1246 N5N H C37 1 HETATM 2412 N N38 . N5N F 5 . ? 10.460 -11.953 24.333 1.00 16.09 ? 1246 N5N H N38 1 HETATM 2413 N N39 . N5N F 5 . ? 10.886 -9.605 24.572 1.00 18.60 ? 1246 N5N H N39 1 HETATM 2414 C C1 . NAG G 6 . ? 32.283 -7.723 11.039 1.00 49.48 ? 1247 NAG H C1 1 HETATM 2415 C C2 . NAG G 6 . ? 33.598 -8.291 11.584 1.00 53.88 ? 1247 NAG H C2 1 HETATM 2416 C C3 . NAG G 6 . ? 34.792 -7.348 11.415 1.00 58.40 ? 1247 NAG H C3 1 HETATM 2417 C C4 . NAG G 6 . ? 34.844 -6.741 10.017 1.00 58.60 ? 1247 NAG H C4 1 HETATM 2418 C C5 . NAG G 6 . ? 33.478 -6.119 9.720 1.00 58.21 ? 1247 NAG H C5 1 HETATM 2419 C C6 . NAG G 6 . ? 33.437 -5.474 8.343 1.00 60.08 ? 1247 NAG H C6 1 HETATM 2420 C C7 . NAG G 6 . ? 33.360 -9.863 13.392 1.00 52.02 ? 1247 NAG H C7 1 HETATM 2421 C C8 . NAG G 6 . ? 33.289 -10.118 14.869 1.00 50.41 ? 1247 NAG H C8 1 HETATM 2422 N N2 . NAG G 6 . ? 33.504 -8.604 12.996 1.00 50.39 ? 1247 NAG H N2 1 HETATM 2423 O O3 . NAG G 6 . ? 35.977 -8.060 11.690 1.00 59.70 ? 1247 NAG H O3 1 HETATM 2424 O O4 . NAG G 6 . ? 35.879 -5.777 9.951 1.00 61.80 ? 1247 NAG H O4 1 HETATM 2425 O O5 . NAG G 6 . ? 32.478 -7.121 9.770 1.00 51.12 ? 1247 NAG H O5 1 HETATM 2426 O O6 . NAG G 6 . ? 33.701 -6.479 7.391 1.00 66.49 ? 1247 NAG H O6 1 HETATM 2427 O O7 . NAG G 6 . ? 33.278 -10.790 12.589 1.00 54.87 ? 1247 NAG H O7 1 HETATM 2428 O O . HOH H 7 . ? 3.979 -7.186 15.806 1.00 16.24 ? 2001 HOH H O 1 HETATM 2429 O O . HOH H 7 . ? 0.000 -8.084 18.641 1.00 20.96 ? 2002 HOH H O 1 HETATM 2430 O O . HOH H 7 . ? -0.802 -12.251 19.726 1.00 24.19 ? 2003 HOH H O 1 HETATM 2431 O O . HOH H 7 . ? -1.805 -6.640 26.596 1.00 41.58 ? 2004 HOH H O 1 HETATM 2432 O O . HOH H 7 . ? -1.616 -14.560 21.408 1.00 41.76 ? 2005 HOH H O 1 HETATM 2433 O O . HOH H 7 . ? -3.814 -7.003 16.669 1.00 35.67 ? 2006 HOH H O 1 HETATM 2434 O O . HOH H 7 . ? -2.675 -2.807 22.594 1.00 42.62 ? 2007 HOH H O 1 HETATM 2435 O O . HOH H 7 . ? -6.208 -4.562 17.018 1.00 30.66 ? 2008 HOH H O 1 HETATM 2436 O O . HOH H 7 . ? -2.496 -6.225 11.892 1.00 32.74 ? 2009 HOH H O 1 HETATM 2437 O O . HOH H 7 . ? -2.187 -9.953 18.550 1.00 42.64 ? 2010 HOH H O 1 HETATM 2438 O O . HOH H 7 . ? -5.270 0.985 13.145 1.00 38.01 ? 2011 HOH H O 1 HETATM 2439 O O . HOH H 7 . ? 1.307 3.582 12.467 1.00 27.11 ? 2012 HOH H O 1 HETATM 2440 O O . HOH H 7 . ? -7.599 8.056 19.196 1.00 35.47 ? 2013 HOH H O 1 HETATM 2441 O O . HOH H 7 . ? -6.336 7.692 15.221 1.00 38.52 ? 2014 HOH H O 1 HETATM 2442 O O . HOH H 7 . ? -4.849 2.349 19.498 1.00 54.49 ? 2015 HOH H O 1 HETATM 2443 O O . HOH H 7 . ? -7.156 10.673 16.455 1.00 33.41 ? 2016 HOH H O 1 HETATM 2444 O O . HOH H 7 . ? -5.705 5.280 12.918 1.00 27.50 ? 2017 HOH H O 1 HETATM 2445 O O . HOH H 7 . ? -4.424 9.187 13.443 1.00 25.60 ? 2018 HOH H O 1 HETATM 2446 O O . HOH H 7 . ? -4.863 10.016 10.428 1.00 38.56 ? 2019 HOH H O 1 HETATM 2447 O O . HOH H 7 . ? 1.569 5.830 10.735 1.00 18.92 ? 2020 HOH H O 1 HETATM 2448 O O . HOH H 7 . ? 1.811 11.819 14.163 1.00 13.70 ? 2021 HOH H O 1 HETATM 2449 O O . HOH H 7 . ? 3.112 4.870 13.824 1.00 15.19 ? 2022 HOH H O 1 HETATM 2450 O O . HOH H 7 . ? 3.373 5.850 20.891 1.00 16.89 ? 2023 HOH H O 1 HETATM 2451 O O . HOH H 7 . ? 5.242 4.741 11.968 1.00 17.74 ? 2024 HOH H O 1 HETATM 2452 O O . HOH H 7 . ? 5.781 4.510 20.199 1.00 16.49 ? 2025 HOH H O 1 HETATM 2453 O O . HOH H 7 . ? 7.790 6.182 11.466 1.00 13.88 ? 2026 HOH H O 1 HETATM 2454 O O . HOH H 7 . ? 20.814 -14.718 1.336 1.00 51.64 ? 2027 HOH H O 1 HETATM 2455 O O . HOH H 7 . ? 8.521 3.029 9.749 1.00 10.12 ? 2028 HOH H O 1 HETATM 2456 O O . HOH H 7 . ? 10.127 -2.997 16.857 1.00 11.01 ? 2029 HOH H O 1 HETATM 2457 O O . HOH H 7 . ? 22.289 -12.458 1.510 1.00 43.21 ? 2030 HOH H O 1 HETATM 2458 O O . HOH H 7 . ? 21.109 -7.195 2.090 1.00 43.96 ? 2031 HOH H O 1 HETATM 2459 O O . HOH H 7 . ? 22.905 1.584 0.348 1.00 44.11 ? 2032 HOH H O 1 HETATM 2460 O O . HOH H 7 . ? 23.686 -20.387 19.024 1.00 50.04 ? 2033 HOH H O 1 HETATM 2461 O O . HOH H 7 . ? 33.217 -15.228 13.622 1.00 37.81 ? 2034 HOH H O 1 HETATM 2462 O O . HOH H 7 . ? 14.036 -10.140 -2.237 1.00 49.48 ? 2035 HOH H O 1 HETATM 2463 O O . HOH H 7 . ? 10.632 -10.720 7.045 1.00 32.88 ? 2036 HOH H O 1 HETATM 2464 O O . HOH H 7 . ? 15.556 -10.055 14.138 1.00 44.39 ? 2037 HOH H O 1 HETATM 2465 O O . HOH H 7 . ? 15.158 1.880 19.045 1.00 16.45 ? 2038 HOH H O 1 HETATM 2466 O O . HOH H 7 . ? 15.468 13.248 19.910 1.00 26.10 ? 2039 HOH H O 1 HETATM 2467 O O . HOH H 7 . ? 20.516 15.301 13.568 1.00 51.06 ? 2040 HOH H O 1 HETATM 2468 O O . HOH H 7 . ? 16.876 16.856 13.880 1.00 37.38 ? 2041 HOH H O 1 HETATM 2469 O O . HOH H 7 . ? 15.833 19.174 11.669 1.00 45.06 ? 2042 HOH H O 1 HETATM 2470 O O . HOH H 7 . ? 7.902 19.132 11.655 1.00 48.65 ? 2043 HOH H O 1 HETATM 2471 O O . HOH H 7 . ? 17.679 -10.418 15.944 1.00 38.19 ? 2044 HOH H O 1 HETATM 2472 O O . HOH H 7 . ? 19.055 -8.390 12.405 1.00 34.35 ? 2045 HOH H O 1 HETATM 2473 O O . HOH H 7 . ? 27.862 -5.169 12.049 1.00 42.90 ? 2046 HOH H O 1 HETATM 2474 O O . HOH H 7 . ? 22.622 -17.631 20.784 1.00 30.16 ? 2047 HOH H O 1 HETATM 2475 O O . HOH H 7 . ? 25.906 -15.140 22.804 1.00 26.71 ? 2048 HOH H O 1 HETATM 2476 O O . HOH H 7 . ? 30.468 -15.571 13.029 1.00 37.09 ? 2049 HOH H O 1 HETATM 2477 O O . HOH H 7 . ? 27.199 -19.973 13.304 1.00 42.08 ? 2050 HOH H O 1 HETATM 2478 O O . HOH H 7 . ? 25.234 -10.913 8.075 1.00 41.14 ? 2051 HOH H O 1 HETATM 2479 O O . HOH H 7 . ? -1.489 0.938 36.431 1.00 46.01 ? 2052 HOH H O 1 HETATM 2480 O O . HOH H 7 . ? 22.349 1.552 3.240 1.00 27.44 ? 2053 HOH H O 1 HETATM 2481 O O . HOH H 7 . ? 10.427 -13.899 41.429 1.00 45.02 ? 2054 HOH H O 1 HETATM 2482 O O . HOH H 7 . ? 18.511 -9.355 43.520 1.00 46.66 ? 2055 HOH H O 1 HETATM 2483 O O . HOH H 7 . ? 7.577 -3.414 0.940 1.00 27.16 ? 2056 HOH H O 1 HETATM 2484 O O . HOH H 7 . ? 23.957 -13.155 38.262 1.00 51.68 ? 2057 HOH H O 1 HETATM 2485 O O . HOH H 7 . ? 1.981 5.976 7.985 1.00 16.85 ? 2058 HOH H O 1 HETATM 2486 O O . HOH H 7 . ? -4.665 -0.010 9.219 1.00 40.25 ? 2059 HOH H O 1 HETATM 2487 O O . HOH H 7 . ? 1.352 -6.070 5.447 1.00 33.18 ? 2060 HOH H O 1 HETATM 2488 O O . HOH H 7 . ? -1.338 -3.706 5.512 1.00 37.19 ? 2061 HOH H O 1 HETATM 2489 O O . HOH H 7 . ? 7.827 -9.821 8.747 1.00 31.46 ? 2062 HOH H O 1 HETATM 2490 O O . HOH H 7 . ? 0.719 -9.468 6.857 1.00 44.69 ? 2063 HOH H O 1 HETATM 2491 O O . HOH H 7 . ? 1.454 -5.419 0.549 1.00 42.09 ? 2064 HOH H O 1 HETATM 2492 O O . HOH H 7 . ? 1.170 -0.476 -2.892 1.00 33.43 ? 2065 HOH H O 1 HETATM 2493 O O . HOH H 7 . ? 0.000 5.520 0.000 0.50 16.68 ? 2066 HOH H O 1 HETATM 2494 O O . HOH H 7 . ? 0.736 2.213 -4.100 1.00 22.85 ? 2067 HOH H O 1 HETATM 2495 O O . HOH H 7 . ? 3.115 0.680 -3.654 1.00 32.06 ? 2068 HOH H O 1 HETATM 2496 O O . HOH H 7 . ? 0.750 11.256 1.624 1.00 36.37 ? 2069 HOH H O 1 HETATM 2497 O O . HOH H 7 . ? 3.637 12.756 3.911 1.00 39.63 ? 2070 HOH H O 1 HETATM 2498 O O . HOH H 7 . ? 5.783 11.195 5.276 1.00 19.14 ? 2071 HOH H O 1 HETATM 2499 O O . HOH H 7 . ? 8.168 -18.647 37.597 1.00 47.30 ? 2072 HOH H O 1 HETATM 2500 O O . HOH H 7 . ? 10.564 10.257 -1.050 1.00 53.75 ? 2073 HOH H O 1 HETATM 2501 O O . HOH H 7 . ? 8.708 12.711 4.539 1.00 45.02 ? 2074 HOH H O 1 HETATM 2502 O O . HOH H 7 . ? 19.644 5.557 35.539 0.50 32.95 ? 2075 HOH H O 1 HETATM 2503 O O . HOH H 7 . ? 12.017 7.407 -0.041 1.00 38.03 ? 2076 HOH H O 1 HETATM 2504 O O . HOH H 7 . ? 23.885 6.970 33.956 1.00 40.01 ? 2077 HOH H O 1 HETATM 2505 O O . HOH H 7 . ? 17.540 10.203 4.196 1.00 31.40 ? 2078 HOH H O 1 HETATM 2506 O O . HOH H 7 . ? 29.825 5.987 30.640 1.00 54.40 ? 2079 HOH H O 1 HETATM 2507 O O . HOH H 7 . ? 19.435 8.128 3.146 1.00 52.51 ? 2080 HOH H O 1 HETATM 2508 O O . HOH H 7 . ? 31.032 0.233 15.209 1.00 32.62 ? 2081 HOH H O 1 HETATM 2509 O O . HOH H 7 . ? 31.412 -3.570 19.655 1.00 36.25 ? 2082 HOH H O 1 HETATM 2510 O O . HOH H 7 . ? 28.871 3.932 27.578 1.00 30.68 ? 2083 HOH H O 1 HETATM 2511 O O . HOH H 7 . ? 31.886 -5.721 21.382 1.00 37.52 ? 2084 HOH H O 1 HETATM 2512 O O . HOH H 7 . ? 31.377 -9.838 23.727 1.00 29.40 ? 2085 HOH H O 1 HETATM 2513 O O . HOH H 7 . ? 31.343 -11.723 29.577 1.00 44.52 ? 2086 HOH H O 1 HETATM 2514 O O . HOH H 7 . ? 29.779 -6.564 30.027 1.00 36.34 ? 2087 HOH H O 1 HETATM 2515 O O . HOH H 7 . ? 32.954 -7.957 19.018 1.00 50.29 ? 2088 HOH H O 1 HETATM 2516 O O . HOH H 7 . ? 34.201 -10.337 22.152 1.00 40.88 ? 2089 HOH H O 1 HETATM 2517 O O . HOH H 7 . ? 35.944 -12.903 18.137 1.00 48.07 ? 2090 HOH H O 1 HETATM 2518 O O . HOH H 7 . ? 25.036 -14.513 31.542 1.00 27.65 ? 2091 HOH H O 1 HETATM 2519 O O . HOH H 7 . ? 37.617 -16.858 23.926 1.00 48.42 ? 2092 HOH H O 1 HETATM 2520 O O . HOH H 7 . ? 20.711 -5.717 26.788 1.00 19.40 ? 2093 HOH H O 1 HETATM 2521 O O . HOH H 7 . ? 22.130 -3.497 27.585 1.00 14.53 ? 2094 HOH H O 1 HETATM 2522 O O . HOH H 7 . ? 28.083 -4.096 32.761 1.00 23.25 ? 2095 HOH H O 1 HETATM 2523 O O . HOH H 7 . ? 28.498 1.256 29.686 1.00 44.07 ? 2096 HOH H O 1 HETATM 2524 O O . HOH H 7 . ? 28.622 -0.460 32.036 1.00 41.79 ? 2097 HOH H O 1 HETATM 2525 O O . HOH H 7 . ? 22.960 12.839 7.467 1.00 43.85 ? 2098 HOH H O 1 HETATM 2526 O O . HOH H 7 . ? 14.270 17.062 8.989 1.00 47.03 ? 2099 HOH H O 1 HETATM 2527 O O . HOH H 7 . ? 12.691 13.287 3.363 1.00 42.96 ? 2100 HOH H O 1 HETATM 2528 O O . HOH H 7 . ? 9.161 18.882 7.930 1.00 50.62 ? 2101 HOH H O 1 HETATM 2529 O O . HOH H 7 . ? 11.666 18.199 8.620 1.00 41.08 ? 2102 HOH H O 1 HETATM 2530 O O . HOH H 7 . ? 6.731 16.338 12.101 1.00 18.88 ? 2103 HOH H O 1 HETATM 2531 O O . HOH H 7 . ? 2.356 15.199 6.520 1.00 28.78 ? 2104 HOH H O 1 HETATM 2532 O O . HOH H 7 . ? 3.168 17.634 10.250 1.00 39.65 ? 2105 HOH H O 1 HETATM 2533 O O . HOH H 7 . ? -0.777 17.778 10.870 1.00 43.95 ? 2106 HOH H O 1 HETATM 2534 O O . HOH H 7 . ? -3.346 16.602 10.284 1.00 45.34 ? 2107 HOH H O 1 HETATM 2535 O O . HOH H 7 . ? 3.814 7.060 11.624 1.00 17.85 ? 2108 HOH H O 1 HETATM 2536 O O . HOH H 7 . ? -2.965 8.434 6.291 1.00 27.02 ? 2109 HOH H O 1 HETATM 2537 O O . HOH H 7 . ? 16.301 13.987 22.741 1.00 20.76 ? 2110 HOH H O 1 HETATM 2538 O O . HOH H 7 . ? 20.759 14.374 32.063 1.00 36.84 ? 2111 HOH H O 1 HETATM 2539 O O . HOH H 7 . ? 18.615 8.987 36.319 1.00 37.94 ? 2112 HOH H O 1 HETATM 2540 O O . HOH H 7 . ? 17.241 14.133 38.714 1.00 51.26 ? 2113 HOH H O 1 HETATM 2541 O O . HOH H 7 . ? 9.677 15.154 31.672 1.00 22.37 ? 2114 HOH H O 1 HETATM 2542 O O . HOH H 7 . ? 6.921 9.982 38.636 1.00 39.93 ? 2115 HOH H O 1 HETATM 2543 O O . HOH H 7 . ? 7.563 1.837 41.762 1.00 43.80 ? 2116 HOH H O 1 HETATM 2544 O O . HOH H 7 . ? 11.226 0.784 40.901 1.00 44.19 ? 2117 HOH H O 1 HETATM 2545 O O . HOH H 7 . ? 5.570 -4.444 37.438 1.00 24.72 ? 2118 HOH H O 1 HETATM 2546 O O . HOH H 7 . ? 1.044 -0.942 36.540 1.00 30.95 ? 2119 HOH H O 1 HETATM 2547 O O . HOH H 7 . ? 2.038 2.144 38.762 1.00 32.15 ? 2120 HOH H O 1 HETATM 2548 O O . HOH H 7 . ? -2.637 1.456 33.788 1.00 22.78 ? 2121 HOH H O 1 HETATM 2549 O O . HOH H 7 . ? 6.802 2.178 21.178 1.00 14.45 ? 2122 HOH H O 1 HETATM 2550 O O . HOH H 7 . ? 9.552 -4.287 14.255 1.00 14.42 ? 2123 HOH H O 1 HETATM 2551 O O . HOH H 7 . ? 6.915 -10.363 11.202 1.00 30.19 ? 2124 HOH H O 1 HETATM 2552 O O . HOH H 7 . ? 7.913 -16.112 16.533 1.00 45.86 ? 2125 HOH H O 1 HETATM 2553 O O . HOH H 7 . ? 3.773 -16.625 21.870 1.00 34.87 ? 2126 HOH H O 1 HETATM 2554 O O . HOH H 7 . ? 4.997 -18.759 24.185 1.00 37.42 ? 2127 HOH H O 1 HETATM 2555 O O . HOH H 7 . ? -3.049 -7.099 4.586 1.00 51.13 ? 2128 HOH H O 1 HETATM 2556 O O . HOH H 7 . ? -4.494 -4.430 7.066 1.00 46.44 ? 2129 HOH H O 1 HETATM 2557 O O . HOH H 7 . ? -1.418 -3.108 25.545 1.00 28.61 ? 2130 HOH H O 1 HETATM 2558 O O . HOH H 7 . ? -1.429 -3.606 28.964 1.00 24.89 ? 2131 HOH H O 1 HETATM 2559 O O . HOH H 7 . ? 13.623 -3.807 35.618 1.00 18.64 ? 2132 HOH H O 1 HETATM 2560 O O . HOH H 7 . ? 5.368 -4.018 40.083 1.00 44.27 ? 2133 HOH H O 1 HETATM 2561 O O . HOH H 7 . ? 8.008 -2.238 43.432 1.00 43.22 ? 2134 HOH H O 1 HETATM 2562 O O . HOH H 7 . ? 13.550 -2.408 40.971 1.00 34.25 ? 2135 HOH H O 1 HETATM 2563 O O . HOH H 7 . ? 21.522 -4.995 37.574 1.00 41.47 ? 2136 HOH H O 1 HETATM 2564 O O . HOH H 7 . ? 14.652 -1.273 36.493 1.00 25.65 ? 2137 HOH H O 1 HETATM 2565 O O . HOH H 7 . ? 12.085 -12.093 43.011 1.00 38.61 ? 2138 HOH H O 1 HETATM 2566 O O . HOH H 7 . ? 16.893 -11.510 42.839 1.00 38.89 ? 2139 HOH H O 1 HETATM 2567 O O . HOH H 7 . ? 11.144 -14.003 38.829 1.00 24.66 ? 2140 HOH H O 1 HETATM 2568 O O . HOH H 7 . ? 19.986 -13.610 36.736 1.00 33.29 ? 2141 HOH H O 1 HETATM 2569 O O . HOH H 7 . ? 18.930 -14.663 40.376 1.00 29.05 ? 2142 HOH H O 1 HETATM 2570 O O . HOH H 7 . ? 12.087 -17.979 39.012 1.00 33.19 ? 2143 HOH H O 1 HETATM 2571 O O . HOH H 7 . ? 12.804 -13.711 32.065 1.00 19.04 ? 2144 HOH H O 1 HETATM 2572 O O . HOH H 7 . ? 20.233 -17.437 38.129 1.00 25.92 ? 2145 HOH H O 1 HETATM 2573 O O . HOH H 7 . ? 17.630 -18.420 31.703 1.00 29.92 ? 2146 HOH H O 1 HETATM 2574 O O . HOH H 7 . ? 22.749 -17.779 36.778 1.00 39.82 ? 2147 HOH H O 1 HETATM 2575 O O . HOH H 7 . ? 28.539 -6.062 34.465 1.00 40.91 ? 2148 HOH H O 1 HETATM 2576 O O . HOH H 7 . ? 26.046 -8.388 36.727 1.00 42.42 ? 2149 HOH H O 1 HETATM 2577 O O . HOH H 7 . ? 21.912 -11.380 37.195 1.00 37.36 ? 2150 HOH H O 1 HETATM 2578 O O . HOH H 7 . ? 22.772 -8.860 38.375 1.00 51.59 ? 2151 HOH H O 1 HETATM 2579 O O . HOH H 7 . ? 25.995 -3.712 35.932 1.00 29.28 ? 2152 HOH H O 1 HETATM 2580 O O . HOH H 7 . ? 20.006 0.514 35.897 1.00 31.17 ? 2153 HOH H O 1 HETATM 2581 O O . HOH H 7 . ? 26.570 1.913 31.400 1.00 52.70 ? 2154 HOH H O 1 HETATM 2582 O O . HOH H 7 . ? 6.588 -9.734 28.675 1.00 20.80 ? 2155 HOH H O 1 HETATM 2583 O O . HOH H 7 . ? 8.360 -7.382 27.414 1.00 12.37 ? 2156 HOH H O 1 HETATM 2584 O O . HOH H 7 . ? 4.517 -6.690 36.236 1.00 19.28 ? 2157 HOH H O 1 HETATM 2585 O O . HOH H 7 . ? 3.306 -9.827 29.784 1.00 14.87 ? 2158 HOH H O 1 HETATM 2586 O O . HOH H 7 . ? 6.006 -10.884 31.301 1.00 17.23 ? 2159 HOH H O 1 HETATM 2587 O O . HOH H 7 . ? 4.692 -13.615 32.798 1.00 21.62 ? 2160 HOH H O 1 HETATM 2588 O O . HOH H 7 . ? 0.206 -12.677 32.900 1.00 29.16 ? 2161 HOH H O 1 HETATM 2589 O O . HOH H 7 . ? -2.210 -14.361 33.100 1.00 48.11 ? 2162 HOH H O 1 HETATM 2590 O O . HOH H 7 . ? -3.692 -8.813 27.798 1.00 35.94 ? 2163 HOH H O 1 HETATM 2591 O O . HOH H 7 . ? 0.704 -15.957 24.513 1.00 43.99 ? 2164 HOH H O 1 HETATM 2592 O O . HOH H 7 . ? 2.310 -14.089 31.736 1.00 26.65 ? 2165 HOH H O 1 HETATM 2593 O O . HOH H 7 . ? 7.062 -12.596 28.450 1.00 22.43 ? 2166 HOH H O 1 HETATM 2594 O O . HOH H 7 . ? 8.800 -15.054 27.029 1.00 28.20 ? 2167 HOH H O 1 HETATM 2595 O O . HOH H 7 . ? 10.277 -13.052 27.612 0.50 35.42 ? 2168 HOH H O 1 HETATM 2596 O O . HOH H 7 . ? 14.089 -10.109 16.445 1.00 36.92 ? 2169 HOH H O 1 HETATM 2597 O O . HOH H 7 . ? 1.477 10.811 30.632 1.00 28.86 ? 2170 HOH H O 1 HETATM 2598 O O . HOH H 7 . ? -1.951 12.902 22.835 1.00 18.40 ? 2171 HOH H O 1 HETATM 2599 O O . HOH H 7 . ? -0.433 15.593 25.659 0.70 35.86 ? 2172 HOH H O 1 HETATM 2600 O O . HOH H 7 . ? -0.036 15.191 34.062 1.00 38.09 ? 2173 HOH H O 1 HETATM 2601 O O . HOH H 7 . ? 6.614 20.276 26.038 1.00 36.52 ? 2174 HOH H O 1 HETATM 2602 O O . HOH H 7 . ? 13.234 16.914 26.566 1.00 40.11 ? 2175 HOH H O 1 HETATM 2603 O O . HOH H 7 . ? 16.532 4.831 30.050 1.00 14.71 ? 2176 HOH H O 1 HETATM 2604 O O . HOH H 7 . ? 12.384 -7.173 25.089 1.00 12.67 ? 2177 HOH H O 1 HETATM 2605 O O . HOH H 7 . ? 12.990 -13.704 29.206 1.00 30.23 ? 2178 HOH H O 1 HETATM 2606 O O . HOH H 7 . ? 14.262 -18.684 22.669 1.00 39.12 ? 2179 HOH H O 1 HETATM 2607 O O . HOH H 7 . ? 3.612 -12.748 29.716 1.00 19.08 ? 2180 HOH H O 1 HETATM 2608 O O . HOH H 7 . ? 4.097 -19.662 29.105 1.00 47.92 ? 2181 HOH H O 1 HETATM 2609 O O . HOH H 7 . ? 9.848 -15.655 37.101 1.00 36.96 ? 2182 HOH H O 1 HETATM 2610 O O . HOH H 7 . ? 7.697 -13.892 37.995 1.00 27.79 ? 2183 HOH H O 1 HETATM 2611 O O . HOH H 7 . ? 17.338 2.928 36.343 1.00 36.42 ? 2184 HOH H O 1 HETATM 2612 O O . HOH H 7 . ? 24.070 8.867 30.921 1.00 32.93 ? 2185 HOH H O 1 HETATM 2613 O O . HOH H 7 . ? 27.472 6.085 28.231 1.00 41.05 ? 2186 HOH H O 1 HETATM 2614 O O . HOH H 7 . ? 25.831 7.421 29.945 1.00 48.46 ? 2187 HOH H O 1 HETATM 2615 O O . HOH H 7 . ? 22.263 5.717 35.862 1.00 50.49 ? 2188 HOH H O 1 HETATM 2616 O O . HOH H 7 . ? 18.995 14.473 23.981 1.00 40.75 ? 2189 HOH H O 1 HETATM 2617 O O . HOH H 7 . ? 29.074 12.399 25.993 1.00 41.30 ? 2190 HOH H O 1 HETATM 2618 O O . HOH H 7 . ? 32.209 4.386 19.885 1.00 31.60 ? 2191 HOH H O 1 HETATM 2619 O O . HOH H 7 . ? 29.887 14.400 23.739 1.00 57.02 ? 2192 HOH H O 1 HETATM 2620 O O . HOH H 7 . ? 33.169 -7.076 14.951 1.00 52.01 ? 2193 HOH H O 1 HETATM 2621 O O . HOH H 7 . ? 38.791 -6.251 9.304 1.00 54.62 ? 2194 HOH H O 1 HETATM 2622 O O . HOH H 7 . ? 36.430 -3.106 8.576 1.00 56.05 ? 2195 HOH H O 1 HETATM 2623 O O . HOH I 7 . ? 8.837 -10.652 0.256 1.00 50.03 ? 2001 HOH I O 1 HETATM 2624 O O . HOH I 7 . ? 0.280 -4.174 -1.659 1.00 43.77 ? 2002 HOH I O 1 HETATM 2625 O O . HOH I 7 . ? 5.717 -6.629 -5.585 1.00 48.17 ? 2003 HOH I O 1 HETATM 2626 O O . HOH I 7 . ? 21.332 4.839 -6.006 1.00 46.20 ? 2004 HOH I O 1 HETATM 2627 O O . HOH J 7 . ? 14.378 18.174 17.498 1.00 51.90 ? 2001 HOH L O 1 HETATM 2628 O O . HOH J 7 . ? -0.658 18.650 13.246 1.00 27.50 ? 2002 HOH L O 1 HETATM 2629 O O . HOH J 7 . ? -5.135 11.665 14.932 1.00 23.91 ? 2003 HOH L O 1 HETATM 2630 O O . HOH J 7 . ? 5.148 18.735 13.224 1.00 37.26 ? 2004 HOH L O 1 HETATM 2631 O O . HOH J 7 . ? -2.044 22.606 16.217 1.00 47.49 ? 2005 HOH L O 1 HETATM 2632 O O . HOH J 7 . ? -5.909 13.766 13.106 1.00 26.72 ? 2006 HOH L O 1 HETATM 2633 O O . HOH J 7 . ? -9.201 17.898 21.960 1.00 38.31 ? 2007 HOH L O 1 HETATM 2634 O O . HOH J 7 . ? -2.576 15.481 23.807 1.00 30.57 ? 2008 HOH L O 1 HETATM 2635 O O . HOH J 7 . ? -8.744 12.991 21.906 1.00 33.17 ? 2009 HOH L O 1 HETATM 2636 O O . HOH J 7 . ? -8.850 8.220 23.316 1.00 45.12 ? 2010 HOH L O 1 HETATM 2637 O O . HOH J 7 . ? -6.134 7.023 25.988 1.00 18.99 ? 2011 HOH L O 1 HETATM 2638 O O . HOH J 7 . ? -7.920 1.699 26.538 1.00 42.17 ? 2012 HOH L O 1 HETATM 2639 O O . HOH J 7 . ? -0.060 9.383 29.118 1.00 37.45 ? 2013 HOH L O 1 HETATM 2640 O O . HOH J 7 . ? -2.006 11.003 28.247 1.00 34.33 ? 2014 HOH L O 1 HETATM 2641 O O . HOH J 7 . ? -5.433 0.513 27.721 1.00 39.03 ? 2015 HOH L O 1 HETATM 2642 O O . HOH J 7 . ? -1.521 9.800 36.916 1.00 35.62 ? 2016 HOH L O 1 HETATM 2643 O O . HOH J 7 . ? -4.087 5.750 38.988 1.00 41.96 ? 2017 HOH L O 1 HETATM 2644 O O . HOH J 7 . ? -5.290 1.915 34.237 1.00 38.66 ? 2018 HOH L O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ILE 1 16 16 ILE ILE H . n A 1 2 VAL 2 17 17 VAL VAL H . n A 1 3 GLU 3 18 18 GLU GLU H . n A 1 4 GLY 4 19 19 GLY GLY H . n A 1 5 SER 5 20 20 SER SER H . n A 1 6 ASP 6 21 21 ASP ASP H . n A 1 7 ALA 7 22 22 ALA ALA H . n A 1 8 GLU 8 23 23 GLU GLU H . n A 1 9 ILE 9 24 24 ILE ILE H . n A 1 10 GLY 10 25 25 GLY GLY H . n A 1 11 MET 11 26 26 MET MET H . n A 1 12 SER 12 27 27 SER SER H . n A 1 13 PRO 13 28 28 PRO PRO H . n A 1 14 TRP 14 29 29 TRP TRP H . n A 1 15 GLN 15 30 30 GLN GLN H . n A 1 16 VAL 16 31 31 VAL VAL H . n A 1 17 MET 17 32 32 MET MET H . n A 1 18 LEU 18 33 33 LEU LEU H . n A 1 19 PHE 19 34 34 PHE PHE H . n A 1 20 ARG 20 35 35 ARG ARG H . n A 1 21 LYS 21 36 36 LYS LYS H . n A 1 22 SER 22 36 36 SER SER H A n A 1 23 PRO 23 37 37 PRO PRO H . n A 1 24 GLN 24 38 38 GLN GLN H . n A 1 25 GLU 25 39 39 GLU GLU H . n A 1 26 LEU 26 40 40 LEU LEU H . n A 1 27 LEU 27 41 41 LEU LEU H . n A 1 28 CYS 28 42 42 CYS CYS H . n A 1 29 GLY 29 43 43 GLY GLY H . n A 1 30 ALA 30 44 44 ALA ALA H . n A 1 31 SER 31 45 45 SER SER H . n A 1 32 LEU 32 46 46 LEU LEU H . n A 1 33 ILE 33 47 47 ILE ILE H . n A 1 34 SER 34 48 48 SER SER H . n A 1 35 ASP 35 49 49 ASP ASP H . n A 1 36 ARG 36 50 50 ARG ARG H . n A 1 37 TRP 37 51 51 TRP TRP H . n A 1 38 VAL 38 52 52 VAL VAL H . n A 1 39 LEU 39 53 53 LEU LEU H . n A 1 40 THR 40 54 54 THR THR H . n A 1 41 ALA 41 55 55 ALA ALA H . n A 1 42 ALA 42 56 56 ALA ALA H . n A 1 43 HIS 43 57 57 HIS HIS H . n A 1 44 CYS 44 58 58 CYS CYS H . n A 1 45 LEU 45 59 59 LEU LEU H . n A 1 46 LEU 46 60 60 LEU LEU H . n A 1 47 TYR 47 60 60 TYR TYR H A n A 1 48 PRO 48 60 60 PRO PRO H B n A 1 49 PRO 49 60 60 PRO PRO H C n A 1 50 TRP 50 60 60 TRP TRP H D n A 1 51 ASP 51 60 60 ASP ASP H E n A 1 52 LYS 52 60 60 LYS LYS H F n A 1 53 ASN 53 60 60 ASN ASN H G n A 1 54 PHE 54 60 60 PHE PHE H H n A 1 55 THR 55 60 60 THR THR H I n A 1 56 GLU 56 61 61 GLU GLU H . n A 1 57 ASN 57 62 62 ASN ASN H . n A 1 58 ASP 58 63 63 ASP ASP H . n A 1 59 LEU 59 64 64 LEU LEU H . n A 1 60 LEU 60 65 65 LEU LEU H . n A 1 61 VAL 61 66 66 VAL VAL H . n A 1 62 ARG 62 67 67 ARG ARG H . n A 1 63 ILE 63 68 68 ILE ILE H . n A 1 64 GLY 64 69 69 GLY GLY H . n A 1 65 LYS 65 70 70 LYS LYS H . n A 1 66 HIS 66 71 71 HIS HIS H . n A 1 67 SER 67 72 72 SER SER H . n A 1 68 ARG 68 73 73 ARG ARG H . n A 1 69 THR 69 74 74 THR THR H . n A 1 70 ARG 70 75 75 ARG ARG H . n A 1 71 TYR 71 76 76 TYR TYR H . n A 1 72 GLU 72 77 77 GLU GLU H . n A 1 73 ARG 73 77 77 ARG ARG H A n A 1 74 ASN 74 78 78 ASN ASN H . n A 1 75 ILE 75 79 79 ILE ILE H . n A 1 76 GLU 76 80 80 GLU GLU H . n A 1 77 LYS 77 81 81 LYS LYS H . n A 1 78 ILE 78 82 82 ILE ILE H . n A 1 79 SER 79 83 83 SER SER H . n A 1 80 MET 80 84 84 MET MET H . n A 1 81 LEU 81 85 85 LEU LEU H . n A 1 82 GLU 82 86 86 GLU GLU H . n A 1 83 LYS 83 87 87 LYS LYS H . n A 1 84 ILE 84 88 88 ILE ILE H . n A 1 85 TYR 85 89 89 TYR TYR H . n A 1 86 ILE 86 90 90 ILE ILE H . n A 1 87 HIS 87 91 91 HIS HIS H . n A 1 88 PRO 88 92 92 PRO PRO H . n A 1 89 ARG 89 93 93 ARG ARG H . n A 1 90 TYR 90 94 94 TYR TYR H . n A 1 91 ASN 91 95 95 ASN ASN H . n A 1 92 TRP 92 96 96 TRP TRP H . n A 1 93 ARG 93 97 97 ARG ARG H . n A 1 94 GLU 94 97 97 GLU GLU H A n A 1 95 ASN 95 98 98 ASN ASN H . n A 1 96 LEU 96 99 99 LEU LEU H . n A 1 97 ASP 97 100 100 ASP ASP H . n A 1 98 ARG 98 101 101 ARG ARG H . n A 1 99 ASP 99 102 102 ASP ASP H . n A 1 100 ILE 100 103 103 ILE ILE H . n A 1 101 ALA 101 104 104 ALA ALA H . n A 1 102 LEU 102 105 105 LEU LEU H . n A 1 103 MET 103 106 106 MET MET H . n A 1 104 LYS 104 107 107 LYS LYS H . n A 1 105 LEU 105 108 108 LEU LEU H . n A 1 106 LYS 106 109 109 LYS LYS H . n A 1 107 LYS 107 110 110 LYS LYS H . n A 1 108 PRO 108 111 111 PRO PRO H . n A 1 109 VAL 109 112 112 VAL VAL H . n A 1 110 ALA 110 113 113 ALA ALA H . n A 1 111 PHE 111 114 114 PHE PHE H . n A 1 112 SER 112 115 115 SER SER H . n A 1 113 ASP 113 116 116 ASP ASP H . n A 1 114 TYR 114 117 117 TYR TYR H . n A 1 115 ILE 115 118 118 ILE ILE H . n A 1 116 HIS 116 119 119 HIS HIS H . n A 1 117 PRO 117 120 120 PRO PRO H . n A 1 118 VAL 118 121 121 VAL VAL H . n A 1 119 CYS 119 122 122 CYS CYS H . n A 1 120 LEU 120 123 123 LEU LEU H . n A 1 121 PRO 121 124 124 PRO PRO H . n A 1 122 ASP 122 125 125 ASP ASP H . n A 1 123 ARG 123 126 126 ARG ARG H . n A 1 124 GLU 124 127 127 GLU GLU H . n A 1 125 THR 125 128 128 THR THR H . n A 1 126 ALA 126 129 129 ALA ALA H . n A 1 127 ALA 127 129 129 ALA ALA H A n A 1 128 SER 128 129 129 SER SER H B n A 1 129 LEU 129 129 129 LEU LEU H C n A 1 130 LEU 130 130 130 LEU LEU H . n A 1 131 GLN 131 131 131 GLN GLN H . n A 1 132 ALA 132 132 132 ALA ALA H . n A 1 133 GLY 133 133 133 GLY GLY H . n A 1 134 TYR 134 134 134 TYR TYR H . n A 1 135 LYS 135 135 135 LYS LYS H . n A 1 136 GLY 136 136 136 GLY GLY H . n A 1 137 ARG 137 137 137 ARG ARG H . n A 1 138 VAL 138 138 138 VAL VAL H . n A 1 139 THR 139 139 139 THR THR H . n A 1 140 GLY 140 140 140 GLY GLY H . n A 1 141 TRP 141 141 141 TRP TRP H . n A 1 142 GLY 142 142 142 GLY GLY H . n A 1 143 ASN 143 143 143 ASN ASN H . n A 1 144 LEU 144 144 144 LEU LEU H . n A 1 145 LYS 145 145 145 LYS LYS H . n A 1 146 GLU 146 146 146 GLU GLU H . n A 1 147 THR 147 147 147 THR THR H . n A 1 148 TRP 148 148 148 TRP TRP H . n A 1 149 THR 149 148 ? ? ? H A n A 1 150 ALA 150 148 ? ? ? H B n A 1 151 ASN 151 148 ? ? ? H C n A 1 152 VAL 152 148 ? ? ? H D n A 1 153 GLY 153 148 ? ? ? H E n A 1 154 LYS 154 149 ? ? ? H . n A 1 155 GLY 155 150 150 GLY GLY H . n A 1 156 GLN 156 151 151 GLN GLN H . n A 1 157 PRO 157 152 152 PRO PRO H . n A 1 158 SER 158 153 153 SER SER H . n A 1 159 VAL 159 154 154 VAL VAL H . n A 1 160 LEU 160 155 155 LEU LEU H . n A 1 161 GLN 161 156 156 GLN GLN H . n A 1 162 VAL 162 157 157 VAL VAL H . n A 1 163 VAL 163 158 158 VAL VAL H . n A 1 164 ASN 164 159 159 ASN ASN H . n A 1 165 LEU 165 160 160 LEU LEU H . n A 1 166 PRO 166 161 161 PRO PRO H . n A 1 167 ILE 167 162 162 ILE ILE H . n A 1 168 VAL 168 163 163 VAL VAL H . n A 1 169 GLU 169 164 164 GLU GLU H . n A 1 170 ARG 170 165 165 ARG ARG H . n A 1 171 PRO 171 166 166 PRO PRO H . n A 1 172 VAL 172 167 167 VAL VAL H . n A 1 173 CYS 173 168 168 CYS CYS H . n A 1 174 LYS 174 169 169 LYS LYS H . n A 1 175 ASP 175 170 170 ASP ASP H . n A 1 176 SER 176 171 171 SER SER H . n A 1 177 THR 177 172 172 THR THR H . n A 1 178 ARG 178 173 173 ARG ARG H . n A 1 179 ILE 179 174 174 ILE ILE H . n A 1 180 ARG 180 175 175 ARG ARG H . n A 1 181 ILE 181 176 176 ILE ILE H . n A 1 182 THR 182 177 177 THR THR H . n A 1 183 ASP 183 178 178 ASP ASP H . n A 1 184 ASN 184 179 179 ASN ASN H . n A 1 185 MET 185 180 180 MET MET H . n A 1 186 PHE 186 181 181 PHE PHE H . n A 1 187 CYS 187 182 182 CYS CYS H . n A 1 188 ALA 188 183 183 ALA ALA H . n A 1 189 GLY 189 184 184 GLY GLY H . n A 1 190 TYR 190 184 184 TYR TYR H A n A 1 191 LYS 191 185 185 LYS LYS H . n A 1 192 PRO 192 186 186 PRO PRO H . n A 1 193 ASP 193 186 186 ASP ASP H A n A 1 194 GLU 194 186 186 GLU GLU H B n A 1 195 GLY 195 186 186 GLY GLY H C n A 1 196 LYS 196 186 186 LYS LYS H D n A 1 197 ARG 197 187 187 ARG ARG H . n A 1 198 GLY 198 188 188 GLY GLY H . n A 1 199 ASP 199 189 189 ASP ASP H . n A 1 200 ALA 200 190 190 ALA ALA H . n A 1 201 CYS 201 191 191 CYS CYS H . n A 1 202 GLU 202 192 192 GLU GLU H . n A 1 203 GLY 203 193 193 GLY GLY H . n A 1 204 ASP 204 194 194 ASP ASP H . n A 1 205 SER 205 195 195 SER SER H . n A 1 206 GLY 206 196 196 GLY GLY H . n A 1 207 GLY 207 197 197 GLY GLY H . n A 1 208 PRO 208 198 198 PRO PRO H . n A 1 209 PHE 209 199 199 PHE PHE H . n A 1 210 VAL 210 200 200 VAL VAL H . n A 1 211 MET 211 201 201 MET MET H . n A 1 212 LYS 212 202 202 LYS LYS H . n A 1 213 SER 213 203 203 SER SER H . n A 1 214 PRO 214 204 204 PRO PRO H . n A 1 215 PHE 215 204 204 PHE PHE H A n A 1 216 ASN 216 204 204 ASN ASN H B n A 1 217 ASN 217 205 205 ASN ASN H . n A 1 218 ARG 218 206 206 ARG ARG H . n A 1 219 TRP 219 207 207 TRP TRP H . n A 1 220 TYR 220 208 208 TYR TYR H . n A 1 221 GLN 221 209 209 GLN GLN H . n A 1 222 MET 222 210 210 MET MET H . n A 1 223 GLY 223 211 211 GLY GLY H . n A 1 224 ILE 224 212 212 ILE ILE H . n A 1 225 VAL 225 213 213 VAL VAL H . n A 1 226 SER 226 214 214 SER SER H . n A 1 227 TRP 227 215 215 TRP TRP H . n A 1 228 GLY 228 216 216 GLY GLY H . n A 1 229 GLU 229 217 217 GLU GLU H . n A 1 230 GLY 230 219 219 GLY GLY H . n A 1 231 CYS 231 220 220 CYS CYS H . n A 1 232 ASP 232 221 221 ASP ASP H . n A 1 233 ARG 233 221 221 ARG ARG H A n A 1 234 ASP 234 222 222 ASP ASP H . n A 1 235 GLY 235 223 223 GLY GLY H . n A 1 236 LYS 236 224 224 LYS LYS H . n A 1 237 TYR 237 225 225 TYR TYR H . n A 1 238 GLY 238 226 226 GLY GLY H . n A 1 239 PHE 239 227 227 PHE PHE H . n A 1 240 TYR 240 228 228 TYR TYR H . n A 1 241 THR 241 229 229 THR THR H . n A 1 242 HIS 242 230 230 HIS HIS H . n A 1 243 VAL 243 231 231 VAL VAL H . n A 1 244 PHE 244 232 232 PHE PHE H . n A 1 245 ARG 245 233 233 ARG ARG H . n A 1 246 LEU 246 234 234 LEU LEU H . n A 1 247 LYS 247 235 235 LYS LYS H . n A 1 248 LYS 248 236 236 LYS LYS H . n A 1 249 TRP 249 237 237 TRP TRP H . n A 1 250 ILE 250 238 238 ILE ILE H . n A 1 251 GLN 251 239 239 GLN GLN H . n A 1 252 LYS 252 240 240 LYS LYS H . n A 1 253 VAL 253 241 241 VAL VAL H . n A 1 254 ILE 254 242 242 ILE ILE H . n A 1 255 ASP 255 243 243 ASP ASP H . n A 1 256 GLN 256 244 244 GLN GLN H . n A 1 257 PHE 257 245 245 PHE PHE H . n B 2 1 ASP 1 1 1 ASP ASP I . n B 2 2 PHE 2 2 2 PHE PHE I . n B 2 3 GLU 3 3 3 GLU GLU I . n B 2 4 GLU 4 4 4 GLU GLU I . n B 2 5 ILE 5 5 5 ILE ILE I . n B 2 6 PRO 6 6 6 PRO PRO I . n B 2 7 GLU 7 7 7 GLU GLU I . n B 2 8 GLU 8 8 8 GLU GLU I . n B 2 9 TYR 9 9 9 TYR TYR I . n B 2 10 LEU 10 10 10 LEU LEU I . n B 2 11 GLN 11 11 11 GLN GLN I . n C 3 1 ALA 1 1 1 ALA ALA L A n C 3 2 ASP 2 1 1 ASP ASP L B n C 3 3 CYS 3 1 1 CYS CYS L . n C 3 4 GLY 4 2 2 GLY GLY L . n C 3 5 LEU 5 3 3 LEU LEU L . n C 3 6 ARG 6 4 4 ARG ARG L . n C 3 7 PRO 7 5 5 PRO PRO L . n C 3 8 LEU 8 6 6 LEU LEU L . n C 3 9 PHE 9 7 7 PHE PHE L . n C 3 10 GLU 10 8 8 GLU GLU L . n C 3 11 LYS 11 9 9 LYS LYS L . n C 3 12 LYS 12 10 10 LYS LYS L . n C 3 13 SER 13 11 11 SER SER L . n C 3 14 LEU 14 12 12 LEU LEU L . n C 3 15 GLU 15 13 13 GLU GLU L . n C 3 16 ASP 16 14 14 ASP ASP L . n C 3 17 LYS 17 14 14 LYS LYS L A n C 3 18 THR 18 14 14 THR THR L B n C 3 19 GLU 19 14 14 GLU GLU L C n C 3 20 ARG 20 14 14 ARG ARG L D n C 3 21 GLU 21 14 14 GLU GLU L E n C 3 22 LEU 22 14 14 LEU LEU L F n C 3 23 LEU 23 14 14 LEU LEU L G n C 3 24 GLU 24 14 14 GLU GLU L H n C 3 25 SER 25 14 14 SER SER L I n C 3 26 TYR 26 14 14 TYR TYR L J n C 3 27 ILE 27 14 14 ILE ILE L K n C 3 28 ASP 28 15 15 ASP ASP L . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code D 4 NA 1 1244 1244 NA NA H . E 4 NA 1 1245 1245 NA NA H . F 5 N5N 1 1246 1246 N5N N5N H . G 6 NAG 1 1247 1247 NAG NAG H . H 7 HOH 1 2001 2001 HOH HOH H . H 7 HOH 2 2002 2002 HOH HOH H . H 7 HOH 3 2003 2003 HOH HOH H . H 7 HOH 4 2004 2004 HOH HOH H . H 7 HOH 5 2005 2005 HOH HOH H . H 7 HOH 6 2006 2006 HOH HOH H . H 7 HOH 7 2007 2007 HOH HOH H . H 7 HOH 8 2008 2008 HOH HOH H . H 7 HOH 9 2009 2009 HOH HOH H . H 7 HOH 10 2010 2010 HOH HOH H . H 7 HOH 11 2011 2011 HOH HOH H . H 7 HOH 12 2012 2012 HOH HOH H . H 7 HOH 13 2013 2013 HOH HOH H . H 7 HOH 14 2014 2014 HOH HOH H . H 7 HOH 15 2015 2015 HOH HOH H . H 7 HOH 16 2016 2016 HOH HOH H . H 7 HOH 17 2017 2017 HOH HOH H . H 7 HOH 18 2018 2018 HOH HOH H . H 7 HOH 19 2019 2019 HOH HOH H . H 7 HOH 20 2020 2020 HOH HOH H . H 7 HOH 21 2021 2021 HOH HOH H . H 7 HOH 22 2022 2022 HOH HOH H . H 7 HOH 23 2023 2023 HOH HOH H . H 7 HOH 24 2024 2024 HOH HOH H . H 7 HOH 25 2025 2025 HOH HOH H . H 7 HOH 26 2026 2026 HOH HOH H . H 7 HOH 27 2027 2027 HOH HOH H . H 7 HOH 28 2028 2028 HOH HOH H . H 7 HOH 29 2029 2029 HOH HOH H . H 7 HOH 30 2030 2030 HOH HOH H . H 7 HOH 31 2031 2031 HOH HOH H . H 7 HOH 32 2032 2032 HOH HOH H . H 7 HOH 33 2033 2033 HOH HOH H . H 7 HOH 34 2034 2034 HOH HOH H . H 7 HOH 35 2035 2035 HOH HOH H . H 7 HOH 36 2036 2036 HOH HOH H . H 7 HOH 37 2037 2037 HOH HOH H . H 7 HOH 38 2038 2038 HOH HOH H . H 7 HOH 39 2039 2039 HOH HOH H . H 7 HOH 40 2040 2040 HOH HOH H . H 7 HOH 41 2041 2041 HOH HOH H . H 7 HOH 42 2042 2042 HOH HOH H . H 7 HOH 43 2043 2043 HOH HOH H . H 7 HOH 44 2044 2044 HOH HOH H . H 7 HOH 45 2045 2045 HOH HOH H . H 7 HOH 46 2046 2046 HOH HOH H . H 7 HOH 47 2047 2047 HOH HOH H . H 7 HOH 48 2048 2048 HOH HOH H . H 7 HOH 49 2049 2049 HOH HOH H . H 7 HOH 50 2050 2050 HOH HOH H . H 7 HOH 51 2051 2051 HOH HOH H . H 7 HOH 52 2052 2052 HOH HOH H . H 7 HOH 53 2053 2053 HOH HOH H . H 7 HOH 54 2054 2054 HOH HOH H . H 7 HOH 55 2055 2055 HOH HOH H . H 7 HOH 56 2056 2056 HOH HOH H . H 7 HOH 57 2057 2057 HOH HOH H . H 7 HOH 58 2058 2058 HOH HOH H . H 7 HOH 59 2059 2059 HOH HOH H . H 7 HOH 60 2060 2060 HOH HOH H . H 7 HOH 61 2061 2061 HOH HOH H . H 7 HOH 62 2062 2062 HOH HOH H . H 7 HOH 63 2063 2063 HOH HOH H . H 7 HOH 64 2064 2064 HOH HOH H . H 7 HOH 65 2065 2065 HOH HOH H . H 7 HOH 66 2066 2066 HOH HOH H . H 7 HOH 67 2067 2067 HOH HOH H . H 7 HOH 68 2068 2068 HOH HOH H . H 7 HOH 69 2069 2069 HOH HOH H . H 7 HOH 70 2070 2070 HOH HOH H . H 7 HOH 71 2071 2071 HOH HOH H . H 7 HOH 72 2072 2072 HOH HOH H . H 7 HOH 73 2073 2073 HOH HOH H . H 7 HOH 74 2074 2074 HOH HOH H . H 7 HOH 75 2075 2075 HOH HOH H . H 7 HOH 76 2076 2076 HOH HOH H . H 7 HOH 77 2077 2077 HOH HOH H . H 7 HOH 78 2078 2078 HOH HOH H . H 7 HOH 79 2079 2079 HOH HOH H . H 7 HOH 80 2080 2080 HOH HOH H . H 7 HOH 81 2081 2081 HOH HOH H . H 7 HOH 82 2082 2082 HOH HOH H . H 7 HOH 83 2083 2083 HOH HOH H . H 7 HOH 84 2084 2084 HOH HOH H . H 7 HOH 85 2085 2085 HOH HOH H . H 7 HOH 86 2086 2086 HOH HOH H . H 7 HOH 87 2087 2087 HOH HOH H . H 7 HOH 88 2088 2088 HOH HOH H . H 7 HOH 89 2089 2089 HOH HOH H . H 7 HOH 90 2090 2090 HOH HOH H . H 7 HOH 91 2091 2091 HOH HOH H . H 7 HOH 92 2092 2092 HOH HOH H . H 7 HOH 93 2093 2093 HOH HOH H . H 7 HOH 94 2094 2094 HOH HOH H . H 7 HOH 95 2095 2095 HOH HOH H . H 7 HOH 96 2096 2096 HOH HOH H . H 7 HOH 97 2097 2097 HOH HOH H . H 7 HOH 98 2098 2098 HOH HOH H . H 7 HOH 99 2099 2099 HOH HOH H . H 7 HOH 100 2100 2100 HOH HOH H . H 7 HOH 101 2101 2101 HOH HOH H . H 7 HOH 102 2102 2102 HOH HOH H . H 7 HOH 103 2103 2103 HOH HOH H . H 7 HOH 104 2104 2104 HOH HOH H . H 7 HOH 105 2105 2105 HOH HOH H . H 7 HOH 106 2106 2106 HOH HOH H . H 7 HOH 107 2107 2107 HOH HOH H . H 7 HOH 108 2108 2108 HOH HOH H . H 7 HOH 109 2109 2109 HOH HOH H . H 7 HOH 110 2110 2110 HOH HOH H . H 7 HOH 111 2111 2111 HOH HOH H . H 7 HOH 112 2112 2112 HOH HOH H . H 7 HOH 113 2113 2113 HOH HOH H . H 7 HOH 114 2114 2114 HOH HOH H . H 7 HOH 115 2115 2115 HOH HOH H . H 7 HOH 116 2116 2116 HOH HOH H . H 7 HOH 117 2117 2117 HOH HOH H . H 7 HOH 118 2118 2118 HOH HOH H . H 7 HOH 119 2119 2119 HOH HOH H . H 7 HOH 120 2120 2120 HOH HOH H . H 7 HOH 121 2121 2121 HOH HOH H . H 7 HOH 122 2122 2122 HOH HOH H . H 7 HOH 123 2123 2123 HOH HOH H . H 7 HOH 124 2124 2124 HOH HOH H . H 7 HOH 125 2125 2125 HOH HOH H . H 7 HOH 126 2126 2126 HOH HOH H . H 7 HOH 127 2127 2127 HOH HOH H . H 7 HOH 128 2128 2128 HOH HOH H . H 7 HOH 129 2129 2129 HOH HOH H . H 7 HOH 130 2130 2130 HOH HOH H . H 7 HOH 131 2131 2131 HOH HOH H . H 7 HOH 132 2132 2132 HOH HOH H . H 7 HOH 133 2133 2133 HOH HOH H . H 7 HOH 134 2134 2134 HOH HOH H . H 7 HOH 135 2135 2135 HOH HOH H . H 7 HOH 136 2136 2136 HOH HOH H . H 7 HOH 137 2137 2137 HOH HOH H . H 7 HOH 138 2138 2138 HOH HOH H . H 7 HOH 139 2139 2139 HOH HOH H . H 7 HOH 140 2140 2140 HOH HOH H . H 7 HOH 141 2141 2141 HOH HOH H . H 7 HOH 142 2142 2142 HOH HOH H . H 7 HOH 143 2143 2143 HOH HOH H . H 7 HOH 144 2144 2144 HOH HOH H . H 7 HOH 145 2145 2145 HOH HOH H . H 7 HOH 146 2146 2146 HOH HOH H . H 7 HOH 147 2147 2147 HOH HOH H . H 7 HOH 148 2148 2148 HOH HOH H . H 7 HOH 149 2149 2149 HOH HOH H . H 7 HOH 150 2150 2150 HOH HOH H . H 7 HOH 151 2151 2151 HOH HOH H . H 7 HOH 152 2152 2152 HOH HOH H . H 7 HOH 153 2153 2153 HOH HOH H . H 7 HOH 154 2154 2154 HOH HOH H . H 7 HOH 155 2155 2155 HOH HOH H . H 7 HOH 156 2156 2156 HOH HOH H . H 7 HOH 157 2157 2157 HOH HOH H . H 7 HOH 158 2158 2158 HOH HOH H . H 7 HOH 159 2159 2159 HOH HOH H . H 7 HOH 160 2160 2160 HOH HOH H . H 7 HOH 161 2161 2161 HOH HOH H . H 7 HOH 162 2162 2162 HOH HOH H . H 7 HOH 163 2163 2163 HOH HOH H . H 7 HOH 164 2164 2164 HOH HOH H . H 7 HOH 165 2165 2165 HOH HOH H . H 7 HOH 166 2166 2166 HOH HOH H . H 7 HOH 167 2167 2167 HOH HOH H . H 7 HOH 168 2168 2168 HOH HOH H . H 7 HOH 169 2169 2169 HOH HOH H . H 7 HOH 170 2170 2170 HOH HOH H . H 7 HOH 171 2171 2171 HOH HOH H . H 7 HOH 172 2172 2172 HOH HOH H . H 7 HOH 173 2173 2173 HOH HOH H . H 7 HOH 174 2174 2174 HOH HOH H . H 7 HOH 175 2175 2175 HOH HOH H . H 7 HOH 176 2176 2176 HOH HOH H . H 7 HOH 177 2177 2177 HOH HOH H . H 7 HOH 178 2178 2178 HOH HOH H . H 7 HOH 179 2179 2179 HOH HOH H . H 7 HOH 180 2180 2180 HOH HOH H . H 7 HOH 181 2181 2181 HOH HOH H . H 7 HOH 182 2182 2182 HOH HOH H . H 7 HOH 183 2183 2183 HOH HOH H . H 7 HOH 184 2184 2184 HOH HOH H . H 7 HOH 185 2185 2185 HOH HOH H . H 7 HOH 186 2186 2186 HOH HOH H . H 7 HOH 187 2187 2187 HOH HOH H . H 7 HOH 188 2188 2188 HOH HOH H . H 7 HOH 189 2189 2189 HOH HOH H . H 7 HOH 190 2190 2190 HOH HOH H . H 7 HOH 191 2191 2191 HOH HOH H . H 7 HOH 192 2192 2192 HOH HOH H . H 7 HOH 193 2193 2193 HOH HOH H . H 7 HOH 194 2194 2194 HOH HOH H . H 7 HOH 195 2195 2195 HOH HOH H . I 7 HOH 1 2001 2001 HOH HOH I . I 7 HOH 2 2002 2002 HOH HOH I . I 7 HOH 3 2003 2003 HOH HOH I . I 7 HOH 4 2004 2004 HOH HOH I . J 7 HOH 1 2001 2001 HOH HOH L . J 7 HOH 2 2002 2002 HOH HOH L . J 7 HOH 3 2003 2003 HOH HOH L . J 7 HOH 4 2004 2004 HOH HOH L . J 7 HOH 5 2005 2005 HOH HOH L . J 7 HOH 6 2006 2006 HOH HOH L . J 7 HOH 7 2007 2007 HOH HOH L . J 7 HOH 8 2008 2008 HOH HOH L . J 7 HOH 9 2009 2009 HOH HOH L . J 7 HOH 10 2010 2010 HOH HOH L . J 7 HOH 11 2011 2011 HOH HOH L . J 7 HOH 12 2012 2012 HOH HOH L . J 7 HOH 13 2013 2013 HOH HOH L . J 7 HOH 14 2014 2014 HOH HOH L . J 7 HOH 15 2015 2015 HOH HOH L . J 7 HOH 16 2016 2016 HOH HOH L . J 7 HOH 17 2017 2017 HOH HOH L . J 7 HOH 18 2018 2018 HOH HOH L . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 53 _pdbx_struct_mod_residue.auth_asym_id H _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 60 _pdbx_struct_mod_residue.PDB_ins_code G _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details trimeric _pdbx_struct_assembly.oligomeric_count 3 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 3590 ? 1 MORE -19.9 ? 1 'SSA (A^2)' 13150 ? # _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_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 H ARG 75 ? A ARG 70 2 1 H HOH 2066 ? H HOH . # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 O ? H HOH . ? H HOH 2145 ? 1_555 NA ? D NA . ? H NA 1244 ? 1_555 O ? A PHE 215 ? H PHE 204 A 4_546 86.0 ? 2 O ? H HOH . ? H HOH 2145 ? 1_555 NA ? D NA . ? H NA 1244 ? 1_555 O ? A LYS 174 ? H LYS 169 ? 1_555 170.7 ? 3 O ? A PHE 215 ? H PHE 204 A 4_546 NA ? D NA . ? H NA 1244 ? 1_555 O ? A LYS 174 ? H LYS 169 ? 1_555 97.1 ? 4 O ? H HOH . ? H HOH 2145 ? 1_555 NA ? D NA . ? H NA 1244 ? 1_555 O ? H HOH . ? H HOH 2141 ? 1_555 109.6 ? 5 O ? A PHE 215 ? H PHE 204 A 4_546 NA ? D NA . ? H NA 1244 ? 1_555 O ? H HOH . ? H HOH 2141 ? 1_555 164.0 ? 6 O ? A LYS 174 ? H LYS 169 ? 1_555 NA ? D NA . ? H NA 1244 ? 1_555 O ? H HOH . ? H HOH 2141 ? 1_555 66.9 ? 7 O ? H HOH . ? H HOH 2145 ? 1_555 NA ? D NA . ? H NA 1244 ? 1_555 O ? H HOH . ? H HOH 2142 ? 1_555 107.6 ? 8 O ? A PHE 215 ? H PHE 204 A 4_546 NA ? D NA . ? H NA 1244 ? 1_555 O ? H HOH . ? H HOH 2142 ? 1_555 80.2 ? 9 O ? A LYS 174 ? H LYS 169 ? 1_555 NA ? D NA . ? H NA 1244 ? 1_555 O ? H HOH . ? H HOH 2142 ? 1_555 81.6 ? 10 O ? H HOH . ? H HOH 2141 ? 1_555 NA ? D NA . ? H NA 1244 ? 1_555 O ? H HOH . ? H HOH 2142 ? 1_555 97.6 ? 11 O ? H HOH . ? H HOH 2145 ? 1_555 NA ? D NA . ? H NA 1244 ? 1_555 O ? A THR 177 ? H THR 172 ? 1_555 91.0 ? 12 O ? A PHE 215 ? H PHE 204 A 4_546 NA ? D NA . ? H NA 1244 ? 1_555 O ? A THR 177 ? H THR 172 ? 1_555 99.7 ? 13 O ? A LYS 174 ? H LYS 169 ? 1_555 NA ? D NA . ? H NA 1244 ? 1_555 O ? A THR 177 ? H THR 172 ? 1_555 79.9 ? 14 O ? H HOH . ? H HOH 2141 ? 1_555 NA ? D NA . ? H NA 1244 ? 1_555 O ? A THR 177 ? H THR 172 ? 1_555 77.4 ? 15 O ? H HOH . ? H HOH 2142 ? 1_555 NA ? D NA . ? H NA 1244 ? 1_555 O ? A THR 177 ? H THR 172 ? 1_555 161.3 ? 16 O ? A ARG 233 ? H ARG 221 A 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? A LYS 236 ? H LYS 224 ? 1_555 93.0 ? 17 O ? A ARG 233 ? H ARG 221 A 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? H HOH . ? H HOH 2159 ? 1_555 159.4 ? 18 O ? A LYS 236 ? H LYS 224 ? 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? H HOH . ? H HOH 2159 ? 1_555 70.3 ? 19 O ? A ARG 233 ? H ARG 221 A 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? H HOH . ? H HOH 2166 ? 1_555 97.0 ? 20 O ? A LYS 236 ? H LYS 224 ? 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? H HOH . ? H HOH 2166 ? 1_555 81.4 ? 21 O ? H HOH . ? H HOH 2159 ? 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? H HOH . ? H HOH 2166 ? 1_555 92.4 ? 22 O ? A ARG 233 ? H ARG 221 A 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? H HOH . ? H HOH 2160 ? 1_555 87.7 ? 23 O ? A LYS 236 ? H LYS 224 ? 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? H HOH . ? H HOH 2160 ? 1_555 92.1 ? 24 O ? H HOH . ? H HOH 2159 ? 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? H HOH . ? H HOH 2160 ? 1_555 81.2 ? 25 O ? H HOH . ? H HOH 2166 ? 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? H HOH . ? H HOH 2160 ? 1_555 172.1 ? 26 O ? A ARG 233 ? H ARG 221 A 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? H HOH . ? H HOH 2180 ? 1_555 106.3 ? 27 O ? A LYS 236 ? H LYS 224 ? 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? H HOH . ? H HOH 2180 ? 1_555 159.8 ? 28 O ? H HOH . ? H HOH 2159 ? 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? H HOH . ? H HOH 2180 ? 1_555 89.6 ? 29 O ? H HOH . ? H HOH 2166 ? 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? H HOH . ? H HOH 2180 ? 1_555 101.8 ? 30 O ? H HOH . ? H HOH 2160 ? 1_555 NA ? E NA . ? H NA 1245 ? 1_555 O ? H HOH . ? H HOH 2180 ? 1_555 82.9 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2012-06-20 2 'Structure model' 1 1 2013-08-07 3 'Structure model' 1 2 2015-09-16 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' Other 2 3 'Structure model' 'Source and taxonomy' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.7.0025 ? 1 XDS 'data reduction' . ? 2 XDS 'data scaling' . ? 3 AMoRE phasing . ? 4 # _pdbx_database_remark.id 700 _pdbx_database_remark.text ; SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "HB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. ; # _pdbx_entry_details.entry_id 4AX9 _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details 'THE N-TERMINAL RESIDUE IS MODIFIED' # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 NZ _pdbx_validate_close_contact.auth_asym_id_1 L _pdbx_validate_close_contact.auth_comp_id_1 LYS _pdbx_validate_close_contact.auth_seq_id_1 9 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O _pdbx_validate_close_contact.auth_asym_id_2 L _pdbx_validate_close_contact.auth_comp_id_2 HOH _pdbx_validate_close_contact.auth_seq_id_2 2004 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.19 # 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 TYR H 60 A ? -151.45 81.59 2 1 ASN H 60 G ? -156.96 81.73 3 1 HIS H 71 ? ? -132.74 -57.55 4 1 ILE H 79 ? ? -122.51 -63.72 5 1 ASN H 98 ? ? -143.22 10.12 6 1 PRO I 6 ? ? -39.39 141.07 7 1 LEU I 10 ? ? -101.82 -118.48 8 1 PHE L 7 ? ? -127.66 -85.85 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 H TRP 148 ? CA ? A TRP 148 CA 2 1 Y 1 H TRP 148 ? C ? A TRP 148 C 3 1 Y 1 H TRP 148 ? O ? A TRP 148 O 4 1 Y 1 H TRP 148 ? CB ? A TRP 148 CB 5 1 Y 1 H TRP 148 ? CG ? A TRP 148 CG 6 1 Y 1 H TRP 148 ? CD1 ? A TRP 148 CD1 7 1 Y 1 H TRP 148 ? CD2 ? A TRP 148 CD2 8 1 Y 1 H TRP 148 ? NE1 ? A TRP 148 NE1 9 1 Y 1 H TRP 148 ? CE2 ? A TRP 148 CE2 10 1 Y 1 H TRP 148 ? CE3 ? A TRP 148 CE3 11 1 Y 1 H TRP 148 ? CZ2 ? A TRP 148 CZ2 12 1 Y 1 H TRP 148 ? CZ3 ? A TRP 148 CZ3 13 1 Y 1 H TRP 148 ? CH2 ? A TRP 148 CH2 14 1 Y 1 I GLN 11 ? CA ? B GLN 11 CA 15 1 Y 1 I GLN 11 ? C ? B GLN 11 C 16 1 Y 1 I GLN 11 ? O ? B GLN 11 O 17 1 Y 1 I GLN 11 ? CB ? B GLN 11 CB 18 1 Y 1 I GLN 11 ? CG ? B GLN 11 CG 19 1 Y 1 I GLN 11 ? CD ? B GLN 11 CD 20 1 Y 1 I GLN 11 ? OE1 ? B GLN 11 OE1 21 1 Y 1 I GLN 11 ? NE2 ? B GLN 11 NE2 22 1 Y 1 L ASP 15 ? CA ? C ASP 28 CA 23 1 Y 1 L ASP 15 ? C ? C ASP 28 C 24 1 Y 1 L ASP 15 ? O ? C ASP 28 O 25 1 Y 1 L ASP 15 ? CB ? C ASP 28 CB 26 1 Y 1 L ASP 15 ? CG ? C ASP 28 CG 27 1 Y 1 L ASP 15 ? OD1 ? C ASP 28 OD1 28 1 Y 1 L ASP 15 ? OD2 ? C ASP 28 OD2 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 H THR 148 A A THR 149 2 1 Y 1 H ALA 148 B A ALA 150 3 1 Y 1 H ASN 148 C A ASN 151 4 1 Y 1 H VAL 148 D A VAL 152 5 1 Y 1 H GLY 148 E A GLY 153 6 1 Y 1 H LYS 149 ? A LYS 154 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 'SODIUM ION' NA 5 ;2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclopropyl-amino]ethanoic acid ; N5N 6 N-ACETYL-D-GLUCOSAMINE NAG 7 water HOH #