data_5EYY # _entry.id 5EYY # _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 5EYY WWPDB D_1000215747 # _pdbx_database_related.content_type unspecified _pdbx_database_related.db_id 5EXY _pdbx_database_related.db_name PDB _pdbx_database_related.details . # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5EYY _pdbx_database_status.recvd_initial_deposition_date 2015-11-25 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Pinto-Junior, V.R.' 1 'Osterne, V.J.S.' 2 'Santiago, M.Q.' 3 'Almeida, A.C.' 4 'Lossio, C.F.' 5 'Silva-Filho, J.C.' 6 'Almeida, R.P.H.' 7 'Teixeira, C.S.' 8 'Delatorre, P.' 9 'Rocha, B.A.M.' 10 'Nascimento, K.S.' 11 'Cavada, B.S.' 12 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Arch.Biochem.Biophys. _citation.journal_id_ASTM ABBIA4 _citation.journal_id_CSD 0158 _citation.journal_id_ISSN 1096-0384 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 596 _citation.language ? _citation.page_first 73 _citation.page_last 83 _citation.title 'Structural analysis of Centrolobium tomentosum seed lectin with inflammatory activity.' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1016/j.abb.2016.03.001 _citation.pdbx_database_id_PubMed 26946944 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Almeida, A.C.' 1 primary 'Osterne, V.J.' 2 primary 'Santiago, M.Q.' 3 primary 'Pinto-Junior, V.R.' 4 primary 'Silva-Filho, J.C.' 5 primary 'Lossio, C.F.' 6 primary 'Nascimento, F.L.' 7 primary 'Almeida, R.P.' 8 primary 'Teixeira, C.S.' 9 primary 'Leal, R.B.' 10 primary 'Delatorre, P.' 11 primary 'Rocha, B.A.' 12 primary 'Assreuy, A.M.' 13 primary 'Nascimento, K.S.' 14 primary 'Cavada, B.S.' 15 # _cell.angle_alpha 90.000 _cell.angle_alpha_esd ? _cell.angle_beta 90.000 _cell.angle_beta_esd ? _cell.angle_gamma 90.000 _cell.angle_gamma_esd ? _cell.entry_id 5EYY _cell.details ? _cell.formula_units_Z ? _cell.length_a 72.580 _cell.length_a_esd ? _cell.length_b 72.580 _cell.length_b_esd ? _cell.length_c 128.450 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 8 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5EYY _symmetry.cell_setting ? _symmetry.Int_Tables_number 92 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 41 21 2' _symmetry.pdbx_full_space_group_name_H-M ? # 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 'Centrolobium tomentosum lectin' 27081.812 1 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 non-polymer syn 'CALCIUM ION' 40.078 1 ? ? ? ? 4 non-polymer syn 'MANGANESE (II) ION' 54.938 1 ? ? ? ? 5 non-polymer man 'METHYL-O3-(ALPHA-D-MANNOSE)-ALPHA-D-MANNOSE' 356.323 1 ? ? ? ? 6 water nat water 18.015 226 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;SDSLSFSFINFDQDERNVIAQGDARISGNNILQLTRTDSDGTPVRSTVGRILYSAQVRLWEKSTNRVANFQSQFSFFLES PLSNPADGIAFFIAPPDTAIPSGSAGGLLGLFSPKTAQNESANQVLAVEFDTFYAQNSNTWDPNYPHIGIDVNSIKSAKT VRWERREGVTLNVLVTYNPSTKTLDVVATYPDGQRYQISVVVDVTTVLPEWVRVGFSAASGEQFQTHNLESWSFTSTLLY TAQKE ; _entity_poly.pdbx_seq_one_letter_code_can ;SDSLSFSFINFDQDERNVIAQGDARISGNNILQLTRTDSDGTPVRSTVGRILYSAQVRLWEKSTNRVANFQSQFSFFLES PLSNPADGIAFFIAPPDTAIPSGSAGGLLGLFSPKTAQNESANQVLAVEFDTFYAQNSNTWDPNYPHIGIDVNSIKSAKT VRWERREGVTLNVLVTYNPSTKTLDVVATYPDGQRYQISVVVDVTTVLPEWVRVGFSAASGEQFQTHNLESWSFTSTLLY TAQKE ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 SER n 1 2 ASP n 1 3 SER n 1 4 LEU n 1 5 SER n 1 6 PHE n 1 7 SER n 1 8 PHE n 1 9 ILE n 1 10 ASN n 1 11 PHE n 1 12 ASP n 1 13 GLN n 1 14 ASP n 1 15 GLU n 1 16 ARG n 1 17 ASN n 1 18 VAL n 1 19 ILE n 1 20 ALA n 1 21 GLN n 1 22 GLY n 1 23 ASP n 1 24 ALA n 1 25 ARG n 1 26 ILE n 1 27 SER n 1 28 GLY n 1 29 ASN n 1 30 ASN n 1 31 ILE n 1 32 LEU n 1 33 GLN n 1 34 LEU n 1 35 THR n 1 36 ARG n 1 37 THR n 1 38 ASP n 1 39 SER n 1 40 ASP n 1 41 GLY n 1 42 THR n 1 43 PRO n 1 44 VAL n 1 45 ARG n 1 46 SER n 1 47 THR n 1 48 VAL n 1 49 GLY n 1 50 ARG n 1 51 ILE n 1 52 LEU n 1 53 TYR n 1 54 SER n 1 55 ALA n 1 56 GLN n 1 57 VAL n 1 58 ARG n 1 59 LEU n 1 60 TRP n 1 61 GLU n 1 62 LYS n 1 63 SER n 1 64 THR n 1 65 ASN n 1 66 ARG n 1 67 VAL n 1 68 ALA n 1 69 ASN n 1 70 PHE n 1 71 GLN n 1 72 SER n 1 73 GLN n 1 74 PHE n 1 75 SER n 1 76 PHE n 1 77 PHE n 1 78 LEU n 1 79 GLU n 1 80 SER n 1 81 PRO n 1 82 LEU n 1 83 SER n 1 84 ASN n 1 85 PRO n 1 86 ALA n 1 87 ASP n 1 88 GLY n 1 89 ILE n 1 90 ALA n 1 91 PHE n 1 92 PHE n 1 93 ILE n 1 94 ALA n 1 95 PRO n 1 96 PRO n 1 97 ASP n 1 98 THR n 1 99 ALA n 1 100 ILE n 1 101 PRO n 1 102 SER n 1 103 GLY n 1 104 SER n 1 105 ALA n 1 106 GLY n 1 107 GLY n 1 108 LEU n 1 109 LEU n 1 110 GLY n 1 111 LEU n 1 112 PHE n 1 113 SER n 1 114 PRO n 1 115 LYS n 1 116 THR n 1 117 ALA n 1 118 GLN n 1 119 ASN n 1 120 GLU n 1 121 SER n 1 122 ALA n 1 123 ASN n 1 124 GLN n 1 125 VAL n 1 126 LEU n 1 127 ALA n 1 128 VAL n 1 129 GLU n 1 130 PHE n 1 131 ASP n 1 132 THR n 1 133 PHE n 1 134 TYR n 1 135 ALA n 1 136 GLN n 1 137 ASN n 1 138 SER n 1 139 ASN n 1 140 THR n 1 141 TRP n 1 142 ASP n 1 143 PRO n 1 144 ASN n 1 145 TYR n 1 146 PRO n 1 147 HIS n 1 148 ILE n 1 149 GLY n 1 150 ILE n 1 151 ASP n 1 152 VAL n 1 153 ASN n 1 154 SER n 1 155 ILE n 1 156 LYS n 1 157 SER n 1 158 ALA n 1 159 LYS n 1 160 THR n 1 161 VAL n 1 162 ARG n 1 163 TRP n 1 164 GLU n 1 165 ARG n 1 166 ARG n 1 167 GLU n 1 168 GLY n 1 169 VAL n 1 170 THR n 1 171 LEU n 1 172 ASN n 1 173 VAL n 1 174 LEU n 1 175 VAL n 1 176 THR n 1 177 TYR n 1 178 ASN n 1 179 PRO n 1 180 SER n 1 181 THR n 1 182 LYS n 1 183 THR n 1 184 LEU n 1 185 ASP n 1 186 VAL n 1 187 VAL n 1 188 ALA n 1 189 THR n 1 190 TYR n 1 191 PRO n 1 192 ASP n 1 193 GLY n 1 194 GLN n 1 195 ARG n 1 196 TYR n 1 197 GLN n 1 198 ILE n 1 199 SER n 1 200 VAL n 1 201 VAL n 1 202 VAL n 1 203 ASP n 1 204 VAL n 1 205 THR n 1 206 THR n 1 207 VAL n 1 208 LEU n 1 209 PRO n 1 210 GLU n 1 211 TRP n 1 212 VAL n 1 213 ARG n 1 214 VAL n 1 215 GLY n 1 216 PHE n 1 217 SER n 1 218 ALA n 1 219 ALA n 1 220 SER n 1 221 GLY n 1 222 GLU n 1 223 GLN n 1 224 PHE n 1 225 GLN n 1 226 THR n 1 227 HIS n 1 228 ASN n 1 229 LEU n 1 230 GLU n 1 231 SER n 1 232 TRP n 1 233 SER n 1 234 PHE n 1 235 THR n 1 236 SER n 1 237 THR n 1 238 LEU n 1 239 LEU n 1 240 TYR n 1 241 THR n 1 242 ALA n 1 243 GLN n 1 244 LYS n 1 245 GLU n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num 1 _entity_src_nat.pdbx_end_seq_num 245 _entity_src_nat.common_name ? _entity_src_nat.pdbx_organism_scientific 'Centrolobium tomentosum' _entity_src_nat.pdbx_ncbi_taxonomy_id 500182 _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 ? # _struct_ref.id 1 _struct_ref.db_name PDB _struct_ref.db_code 5EYY _struct_ref.pdbx_db_accession 5EYY _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin 1 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5EYY _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 245 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession 5EYY _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 245 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 245 # 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 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 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 MDM D-saccharide . 'METHYL-O3-(ALPHA-D-MANNOSE)-ALPHA-D-MANNOSE' ? 'C13 H24 O11' 356.323 MN non-polymer . 'MANGANESE (II) ION' ? 'Mn 2' 54.938 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.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5EYY _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.21 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 61.65 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 7.2 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details 'Peg 8000, 2-Pentanediol, HEPES sodium' _exptl_crystal_grow.pdbx_pH_range 7.0-8.2 # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'MAR CCD 165 mm' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2014-07-01 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.47 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'LNLS BEAMLINE D03B-MX1' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.47 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline D03B-MX1 _diffrn_source.pdbx_synchrotron_site LNLS # _reflns.B_iso_Wilson_estimate 16.410 _reflns.entry_id 5EYY _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.902 _reflns.d_resolution_low 63.190 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all 27589 _reflns.number_obs 27589 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99.000 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 8.000 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.067 _reflns.pdbx_netI_over_av_sigmaI 7.666 _reflns.pdbx_netI_over_sigmaI 19.100 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all 0.072 _reflns.pdbx_Rpim_I_all 0.025 _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all 219670 _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.meanI_over_sigI_all _reflns_shell.meanI_over_sigI_obs _reflns_shell.number_measured_all _reflns_shell.number_measured_obs _reflns_shell.number_possible _reflns_shell.number_unique_all _reflns_shell.number_unique_obs _reflns_shell.percent_possible_all _reflns_shell.percent_possible_obs _reflns_shell.Rmerge_F_all _reflns_shell.Rmerge_F_obs _reflns_shell.Rmerge_I_all _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_gt _reflns_shell.meanI_over_uI_all _reflns_shell.meanI_over_uI_gt _reflns_shell.number_measured_gt _reflns_shell.number_unique_gt _reflns_shell.percent_possible_gt _reflns_shell.Rmerge_F_gt _reflns_shell.Rmerge_I_gt _reflns_shell.pdbx_redundancy _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_netI_over_sigmaI_all _reflns_shell.pdbx_netI_over_sigmaI_obs _reflns_shell.pdbx_Rrim_I_all _reflns_shell.pdbx_Rpim_I_all _reflns_shell.pdbx_rejects _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id _reflns_shell.pdbx_CC_half _reflns_shell.pdbx_R_split 1.900 2.000 ? 3.600 29076 ? ? 3735 ? 94.300 ? ? ? ? 0.165 ? ? ? ? ? ? ? ? 7.800 0.165 ? ? 10.200 ? 0.063 0 1 1 ? ? 2.000 2.120 ? 4.400 29982 ? ? 3787 ? 100.000 ? ? ? ? 0.139 ? ? ? ? ? ? ? ? 7.900 0.139 ? ? 13.200 ? 0.053 0 2 1 ? ? 2.120 2.270 ? 5.200 27623 ? ? 3558 ? 100.000 ? ? ? ? 0.117 ? ? ? ? ? ? ? ? 7.800 0.117 ? ? 15.400 ? 0.044 0 3 1 ? ? 2.270 2.450 ? 5.800 25516 ? ? 3322 ? 100.000 ? ? ? ? 0.102 ? ? ? ? ? ? ? ? 7.700 0.102 ? ? 16.500 ? 0.038 0 4 1 ? ? 2.450 2.690 ? 8.200 23841 ? ? 3085 ? 100.000 ? ? ? ? 0.074 ? ? ? ? ? ? ? ? 7.700 0.074 ? ? 18.100 ? 0.028 0 5 1 ? ? 2.690 3.000 ? 9.000 21990 ? ? 2799 ? 100.000 ? ? ? ? 0.063 ? ? ? ? ? ? ? ? 7.900 0.063 ? ? 21.200 ? 0.025 0 6 1 ? ? 3.000 3.470 ? 10.600 20215 ? ? 2489 ? 100.000 ? ? ? ? 0.054 ? ? ? ? ? ? ? ? 8.100 0.054 ? ? 27.000 ? 0.020 0 7 1 ? ? 3.470 4.250 ? 10.600 18744 ? ? 2141 ? 100.000 ? ? ? ? 0.054 ? ? ? ? ? ? ? ? 8.800 0.054 ? ? 32.100 ? 0.019 0 8 1 ? ? 4.250 6.010 ? 12.700 15016 ? ? 1696 ? 100.000 ? ? ? ? 0.045 ? ? ? ? ? ? ? ? 8.900 0.045 ? ? 32.200 ? 0.016 0 9 1 ? ? 6.010 32.459 ? 16.600 7667 ? ? 977 ? 96.300 ? ? ? ? 0.038 ? ? ? ? ? ? ? ? 7.800 0.038 ? ? 25.000 ? 0.014 0 10 1 ? ? # _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max 48.960 _refine.B_iso_mean 17.1236 _refine.B_iso_min 8.660 _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5EYY _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.9020 _refine.ls_d_res_low 32.4590 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 27494 _refine.ls_number_reflns_R_free 1350 _refine.ls_number_reflns_R_work 26144 _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.2200 _refine.ls_percent_reflns_R_free 4.9100 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1566 _refine.ls_R_factor_R_free 0.1772 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.1556 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.350 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.pdbx_method_to_determine_struct ? _refine.pdbx_starting_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_R_Free_selection_details ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.1100 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.9000 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error 15.3500 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML 0.1500 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.cycle_id final _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.d_res_high 1.9020 _refine_hist.d_res_low 32.4590 _refine_hist.pdbx_number_atoms_ligand 40 _refine_hist.number_atoms_solvent 226 _refine_hist.number_atoms_total 2132 _refine_hist.pdbx_number_residues_total 239 _refine_hist.pdbx_B_iso_mean_ligand 22.76 _refine_hist.pdbx_B_iso_mean_solvent 25.22 _refine_hist.pdbx_number_atoms_protein 1866 _refine_hist.pdbx_number_atoms_nucleic_acid 0 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.009 ? 1963 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 0.886 ? 2668 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.061 ? 312 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.005 ? 345 ? f_plane_restr ? ? 'X-RAY DIFFRACTION' ? 11.958 ? 1129 ? f_dihedral_angle_d ? ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _refine_ls_shell.redundancy_reflns_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.wR_factor_all _refine_ls_shell.wR_factor_obs _refine_ls_shell.wR_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.pdbx_phase_error _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free 'X-RAY DIFFRACTION' 1.9024 1.9703 . . 128 2430 94.0000 . . . 0.2304 . 0.1637 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.9703 2.0492 . . 127 2593 100.0000 . . . 0.1748 . 0.1476 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.0492 2.1425 . . 137 2581 100.0000 . . . 0.2152 . 0.1569 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.1425 2.2554 . . 131 2575 100.0000 . . . 0.1791 . 0.1491 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.2554 2.3967 . . 143 2574 100.0000 . . . 0.1722 . 0.1461 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.3967 2.5816 . . 142 2636 100.0000 . . . 0.1697 . 0.1559 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.5816 2.8413 . . 133 2611 100.0000 . . . 0.1753 . 0.1584 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.8413 3.2521 . . 131 2637 100.0000 . . . 0.2087 . 0.1661 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.2521 4.0960 . . 130 2704 100.0000 . . . 0.1499 . 0.1585 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.0960 32.4635 . . 148 2803 99.0000 . . . 0.1674 . 0.1504 . . . . . . . . . . # _struct.entry_id 5EYY _struct.title 'Tetragonal Form of Centrolobium tomentosum seed lectin (CTL) complexed with Man1-3Man-OMe.' _struct.pdbx_descriptor 'Centrolobium tomentosum lectin' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5EYY _struct_keywords.text 'Lectin, Centrolobium tomentosum, Dalbergieae, CTL, Methyl Dimannoside., SUGAR BINDING PROTEIN' _struct_keywords.pdbx_keywords 'SUGAR BINDING PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 5 ? F N N 6 ? # 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 AA1 SER A 113 ? ALA A 117 ? SER A 113 ALA A 117 5 ? 5 HELX_P HELX_P2 AA2 ASP A 203 ? VAL A 207 ? ASP A 203 VAL A 207 5 ? 5 # _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 covale1 covale one ? A ASN 119 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 119 A NAG 301 1_555 ? ? ? ? ? ? ? 1.278 ? metalc1 metalc ? ? A GLU 129 OE2 ? ? ? 1_555 D MN . MN ? ? A GLU 129 A MN 303 1_555 ? ? ? ? ? ? ? 2.159 ? metalc2 metalc ? ? A ASP 131 OD1 ? ? ? 1_555 C CA . CA ? ? A ASP 131 A CA 302 1_555 ? ? ? ? ? ? ? 2.403 ? metalc3 metalc ? ? A ASP 131 OD2 ? ? ? 1_555 D MN . MN ? ? A ASP 131 A MN 303 1_555 ? ? ? ? ? ? ? 2.129 ? metalc4 metalc ? ? A ASP 131 OD2 ? ? ? 1_555 C CA . CA ? ? A ASP 131 A CA 302 1_555 ? ? ? ? ? ? ? 2.495 ? metalc5 metalc ? ? A PHE 133 O ? ? ? 1_555 C CA . CA ? ? A PHE 133 A CA 302 1_555 ? ? ? ? ? ? ? 2.274 ? metalc6 metalc ? ? A ASP 142 OD1 ? ? ? 1_555 D MN . MN ? ? A ASP 142 A MN 303 1_555 ? ? ? ? ? ? ? 2.131 ? metalc7 metalc ? ? A ASP 142 OD2 ? ? ? 1_555 C CA . CA ? ? A ASP 142 A CA 302 1_555 ? ? ? ? ? ? ? 2.270 ? metalc8 metalc ? ? A HIS 147 NE2 ? ? ? 1_555 D MN . MN ? ? A HIS 147 A MN 303 1_555 ? ? ? ? ? ? ? 2.160 ? metalc9 metalc ? ? C CA . CA ? ? ? 1_555 F HOH . O ? ? A CA 302 A HOH 426 1_555 ? ? ? ? ? ? ? 2.389 ? metalc10 metalc ? ? C CA . CA ? ? ? 1_555 F HOH . O ? ? A CA 302 A HOH 525 1_555 ? ? ? ? ? ? ? 2.363 ? metalc11 metalc ? ? D MN . MN ? ? ? 1_555 F HOH . O ? ? A MN 303 A HOH 419 1_555 ? ? ? ? ? ? ? 2.206 ? metalc12 metalc ? ? D MN . MN ? ? ? 1_555 F HOH . O ? ? A MN 303 A HOH 476 1_555 ? ? ? ? ? ? ? 2.097 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference covale ? ? metalc ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id ALA _struct_mon_prot_cis.label_seq_id 86 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id ALA _struct_mon_prot_cis.auth_seq_id 86 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 ASP _struct_mon_prot_cis.pdbx_label_seq_id_2 87 _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 ASP _struct_mon_prot_cis.pdbx_auth_seq_id_2 87 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle 4.28 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 7 ? AA3 ? 4 ? AA4 ? 7 ? # 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 AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA2 5 6 ? anti-parallel AA2 6 7 ? anti-parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA4 4 5 ? anti-parallel AA4 5 6 ? anti-parallel AA4 6 7 ? 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 AA1 1 SER A 3 ? PHE A 8 ? SER A 3 PHE A 8 AA1 2 THR A 226 ? LEU A 239 ? THR A 226 LEU A 239 AA1 3 ARG A 66 ? GLU A 79 ? ARG A 66 GLU A 79 AA1 4 TRP A 60 ? GLU A 61 ? TRP A 60 GLU A 61 AA2 1 ARG A 25 ? ILE A 26 ? ARG A 25 ILE A 26 AA2 2 LEU A 32 ? GLN A 33 ? LEU A 32 GLN A 33 AA2 3 THR A 226 ? LEU A 239 ? THR A 226 LEU A 239 AA2 4 ARG A 66 ? GLU A 79 ? ARG A 66 GLU A 79 AA2 5 LEU A 171 ? ASN A 178 ? LEU A 171 ASN A 178 AA2 6 THR A 183 ? THR A 189 ? THR A 183 THR A 189 AA2 7 ARG A 195 ? VAL A 201 ? ARG A 195 VAL A 201 AA3 1 VAL A 18 ? GLY A 22 ? VAL A 18 GLY A 22 AA3 2 THR A 47 ? TYR A 53 ? THR A 47 TYR A 53 AA3 3 TRP A 211 ? SER A 220 ? TRP A 211 SER A 220 AA3 4 VAL A 57 ? ARG A 58 ? VAL A 57 ARG A 58 AA4 1 VAL A 18 ? GLY A 22 ? VAL A 18 GLY A 22 AA4 2 THR A 47 ? TYR A 53 ? THR A 47 TYR A 53 AA4 3 TRP A 211 ? SER A 220 ? TRP A 211 SER A 220 AA4 4 GLY A 88 ? ALA A 94 ? GLY A 88 ALA A 94 AA4 5 LEU A 126 ? ASP A 131 ? LEU A 126 ASP A 131 AA4 6 HIS A 147 ? VAL A 152 ? HIS A 147 VAL A 152 AA4 7 LYS A 159 ? ARG A 162 ? LYS A 159 ARG A 162 # 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 AA1 1 2 N PHE A 8 ? N PHE A 8 O TRP A 232 ? O TRP A 232 AA1 2 3 O THR A 226 ? O THR A 226 N GLU A 79 ? N GLU A 79 AA1 3 4 O ARG A 66 ? O ARG A 66 N GLU A 61 ? N GLU A 61 AA2 1 2 N ARG A 25 ? N ARG A 25 O GLN A 33 ? O GLN A 33 AA2 2 3 N LEU A 32 ? N LEU A 32 O LEU A 229 ? O LEU A 229 AA2 3 4 O THR A 226 ? O THR A 226 N GLU A 79 ? N GLU A 79 AA2 4 5 N SER A 72 ? N SER A 72 O VAL A 175 ? O VAL A 175 AA2 5 6 N THR A 176 ? N THR A 176 O ASP A 185 ? O ASP A 185 AA2 6 7 N LEU A 184 ? N LEU A 184 O VAL A 200 ? O VAL A 200 AA3 1 2 N GLN A 21 ? N GLN A 21 O ARG A 50 ? O ARG A 50 AA3 2 3 N TYR A 53 ? N TYR A 53 O VAL A 214 ? O VAL A 214 AA3 3 4 O VAL A 212 ? O VAL A 212 N VAL A 57 ? N VAL A 57 AA4 1 2 N GLN A 21 ? N GLN A 21 O ARG A 50 ? O ARG A 50 AA4 2 3 N TYR A 53 ? N TYR A 53 O VAL A 214 ? O VAL A 214 AA4 3 4 O GLY A 215 ? O GLY A 215 N PHE A 92 ? N PHE A 92 AA4 4 5 N PHE A 91 ? N PHE A 91 O VAL A 128 ? O VAL A 128 AA4 5 6 N ALA A 127 ? N ALA A 127 O ASP A 151 ? O ASP A 151 AA4 6 7 N ILE A 148 ? N ILE A 148 O VAL A 161 ? O VAL A 161 # 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 A CA 302 ? 6 'binding site for residue CA A 302' AC2 Software A MN 303 ? 6 'binding site for residue MN A 303' AC3 Software A MDM 304 ? 17 'binding site for residue MDM A 304' AC4 Software A NAG 301 ? 2 'binding site for Mono-Saccharide NAG A 301 bound to ASN A 119' # 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 ASP A 131 ? ASP A 131 . ? 1_555 ? 2 AC1 6 PHE A 133 ? PHE A 133 . ? 1_555 ? 3 AC1 6 ASN A 139 ? ASN A 139 . ? 1_555 ? 4 AC1 6 ASP A 142 ? ASP A 142 . ? 1_555 ? 5 AC1 6 HOH F . ? HOH A 426 . ? 1_555 ? 6 AC1 6 HOH F . ? HOH A 525 . ? 1_555 ? 7 AC2 6 GLU A 129 ? GLU A 129 . ? 1_555 ? 8 AC2 6 ASP A 131 ? ASP A 131 . ? 1_555 ? 9 AC2 6 ASP A 142 ? ASP A 142 . ? 1_555 ? 10 AC2 6 HIS A 147 ? HIS A 147 . ? 1_555 ? 11 AC2 6 HOH F . ? HOH A 419 . ? 1_555 ? 12 AC2 6 HOH F . ? HOH A 476 . ? 1_555 ? 13 AC3 17 GLN A 13 ? GLN A 13 . ? 4_554 ? 14 AC3 17 GLY A 28 ? GLY A 28 . ? 4_554 ? 15 AC3 17 ALA A 86 ? ALA A 86 . ? 1_555 ? 16 AC3 17 ASP A 87 ? ASP A 87 . ? 1_555 ? 17 AC3 17 GLY A 106 ? GLY A 106 . ? 1_555 ? 18 AC3 17 GLY A 107 ? GLY A 107 . ? 1_555 ? 19 AC3 17 PHE A 133 ? PHE A 133 . ? 1_555 ? 20 AC3 17 ASN A 137 ? ASN A 137 . ? 1_555 ? 21 AC3 17 SER A 138 ? SER A 138 . ? 1_555 ? 22 AC3 17 ASN A 139 ? ASN A 139 . ? 1_555 ? 23 AC3 17 GLY A 221 ? GLY A 221 . ? 1_555 ? 24 AC3 17 GLU A 222 ? GLU A 222 . ? 1_555 ? 25 AC3 17 GLN A 223 ? GLN A 223 . ? 1_555 ? 26 AC3 17 HOH F . ? HOH A 435 . ? 1_555 ? 27 AC3 17 HOH F . ? HOH A 472 . ? 1_555 ? 28 AC3 17 HOH F . ? HOH A 475 . ? 1_555 ? 29 AC3 17 HOH F . ? HOH A 555 . ? 1_555 ? 30 AC4 2 ASN A 119 ? ASN A 119 . ? 1_555 ? 31 AC4 2 PRO A 191 ? PRO A 191 . ? 5_545 ? # _atom_sites.entry_id 5EYY _atom_sites.fract_transf_matrix[1][1] 0.013778 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013778 _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] 0.007785 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C CA MN N O # 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 . SER A 1 1 ? 2.039 -12.332 26.044 1.00 14.14 ? 1 SER A N 1 ATOM 2 C CA . SER A 1 1 ? 0.800 -11.917 26.721 1.00 16.36 ? 1 SER A CA 1 ATOM 3 C C . SER A 1 1 ? 0.072 -10.869 25.885 1.00 14.87 ? 1 SER A C 1 ATOM 4 O O . SER A 1 1 ? 0.586 -10.417 24.861 1.00 13.81 ? 1 SER A O 1 ATOM 5 C CB . SER A 1 1 ? 1.094 -11.359 28.119 1.00 13.99 ? 1 SER A CB 1 ATOM 6 O OG . SER A 1 1 ? 1.734 -10.086 28.053 1.00 16.54 ? 1 SER A OG 1 ATOM 7 N N . ASP A 1 2 ? -1.131 -10.501 26.298 1.00 13.22 ? 2 ASP A N 1 ATOM 8 C CA . ASP A 1 2 ? -1.921 -9.526 25.583 1.00 13.54 ? 2 ASP A CA 1 ATOM 9 C C . ASP A 1 2 ? -1.458 -8.070 25.727 1.00 16.16 ? 2 ASP A C 1 ATOM 10 O O . ASP A 1 2 ? -1.764 -7.272 24.918 1.00 18.88 ? 2 ASP A O 1 ATOM 11 C CB . ASP A 1 2 ? -3.400 -9.678 25.864 1.00 30.00 ? 2 ASP A CB 1 ATOM 12 C CG . ASP A 1 2 ? -3.936 -10.995 25.354 1.00 30.00 ? 2 ASP A CG 1 ATOM 13 O OD1 . ASP A 1 2 ? -3.919 -11.191 24.165 1.00 30.00 ? 2 ASP A OD1 1 ATOM 14 O OD2 . ASP A 1 2 ? -4.285 -11.801 26.175 1.00 30.00 ? 2 ASP A OD2 1 ATOM 15 N N . SER A 1 3 ? -0.741 -7.775 26.792 1.00 14.96 ? 3 SER A N 1 ATOM 16 C CA . SER A 1 3 ? -0.183 -6.443 26.950 1.00 15.29 ? 3 SER A CA 1 ATOM 17 C C . SER A 1 3 ? 0.958 -6.522 27.947 1.00 15.75 ? 3 SER A C 1 ATOM 18 O O . SER A 1 3 ? 1.040 -7.451 28.757 1.00 14.78 ? 3 SER A O 1 ATOM 19 C CB . SER A 1 3 ? -1.230 -5.430 27.422 1.00 20.00 ? 3 SER A CB 1 ATOM 20 O OG . SER A 1 3 ? -1.492 -5.597 28.806 1.00 21.22 ? 3 SER A OG 1 ATOM 21 N N . LEU A 1 4 ? 1.823 -5.517 27.884 1.00 14.55 ? 4 LEU A N 1 ATOM 22 C CA . LEU A 1 4 ? 2.974 -5.411 28.764 1.00 14.59 ? 4 LEU A CA 1 ATOM 23 C C . LEU A 1 4 ? 3.382 -3.942 28.802 1.00 15.50 ? 4 LEU A C 1 ATOM 24 O O . LEU A 1 4 ? 3.274 -3.245 27.792 1.00 16.58 ? 4 LEU A O 1 ATOM 25 C CB . LEU A 1 4 ? 4.101 -6.304 28.240 1.00 21.08 ? 4 LEU A CB 1 ATOM 26 C CG . LEU A 1 4 ? 5.561 -6.017 28.518 1.00 23.17 ? 4 LEU A CG 1 ATOM 27 C CD1 . LEU A 1 4 ? 5.768 -6.092 30.015 1.00 28.22 ? 4 LEU A CD1 1 ATOM 28 C CD2 . LEU A 1 4 ? 6.364 -7.081 27.829 1.00 23.99 ? 4 LEU A CD2 1 ATOM 29 N N . SER A 1 5 ? 3.813 -3.470 29.969 1.00 13.48 ? 5 SER A N 1 ATOM 30 C CA . SER A 1 5 ? 4.341 -2.118 30.080 1.00 13.80 ? 5 SER A CA 1 ATOM 31 C C . SER A 1 5 ? 5.378 -2.074 31.192 1.00 14.65 ? 5 SER A C 1 ATOM 32 O O . SER A 1 5 ? 5.401 -2.926 32.086 1.00 13.30 ? 5 SER A O 1 ATOM 33 C CB . SER A 1 5 ? 3.230 -1.088 30.350 1.00 14.77 ? 5 SER A CB 1 ATOM 34 O OG . SER A 1 5 ? 2.858 -1.086 31.723 1.00 14.90 ? 5 SER A OG 1 ATOM 35 N N . PHE A 1 6 ? 6.239 -1.061 31.133 1.00 13.16 ? 6 PHE A N 1 ATOM 36 C CA . PHE A 1 6 ? 7.181 -0.818 32.217 1.00 13.12 ? 6 PHE A CA 1 ATOM 37 C C . PHE A 1 6 ? 7.633 0.630 32.143 1.00 13.53 ? 6 PHE A C 1 ATOM 38 O O . PHE A 1 6 ? 7.494 1.289 31.109 1.00 13.26 ? 6 PHE A O 1 ATOM 39 C CB . PHE A 1 6 ? 8.388 -1.770 32.154 1.00 11.51 ? 6 PHE A CB 1 ATOM 40 C CG . PHE A 1 6 ? 9.095 -1.779 30.826 1.00 13.78 ? 6 PHE A CG 1 ATOM 41 C CD1 . PHE A 1 6 ? 10.059 -0.823 30.527 1.00 14.67 ? 6 PHE A CD1 1 ATOM 42 C CD2 . PHE A 1 6 ? 8.809 -2.754 29.881 1.00 15.79 ? 6 PHE A CD2 1 ATOM 43 C CE1 . PHE A 1 6 ? 10.723 -0.839 29.287 1.00 15.23 ? 6 PHE A CE1 1 ATOM 44 C CE2 . PHE A 1 6 ? 9.464 -2.776 28.654 1.00 16.89 ? 6 PHE A CE2 1 ATOM 45 C CZ . PHE A 1 6 ? 10.427 -1.824 28.364 1.00 14.08 ? 6 PHE A CZ 1 ATOM 46 N N . SER A 1 7 ? 8.186 1.120 33.249 1.00 16.86 ? 7 SER A N 1 ATOM 47 C CA . SER A 1 7 ? 8.736 2.467 33.237 1.00 14.56 ? 7 SER A CA 1 ATOM 48 C C . SER A 1 7 ? 9.993 2.526 34.081 1.00 14.66 ? 7 SER A C 1 ATOM 49 O O . SER A 1 7 ? 10.055 1.947 35.170 1.00 15.92 ? 7 SER A O 1 ATOM 50 C CB . SER A 1 7 ? 7.721 3.512 33.741 1.00 15.13 ? 7 SER A CB 1 ATOM 51 O OG . SER A 1 7 ? 7.468 3.351 35.126 1.00 21.85 ? 7 SER A OG 1 ATOM 52 N N . PHE A 1 8 ? 10.988 3.235 33.561 1.00 12.52 ? 8 PHE A N 1 ATOM 53 C CA . PHE A 1 8 ? 12.190 3.616 34.291 1.00 12.57 ? 8 PHE A CA 1 ATOM 54 C C . PHE A 1 8 ? 12.188 5.140 34.362 1.00 16.59 ? 8 PHE A C 1 ATOM 55 O O . PHE A 1 8 ? 12.507 5.803 33.368 1.00 14.11 ? 8 PHE A O 1 ATOM 56 C CB . PHE A 1 8 ? 13.451 3.118 33.584 1.00 14.87 ? 8 PHE A CB 1 ATOM 57 C CG . PHE A 1 8 ? 13.520 1.626 33.411 1.00 12.27 ? 8 PHE A CG 1 ATOM 58 C CD1 . PHE A 1 8 ? 14.057 0.822 34.409 1.00 15.87 ? 8 PHE A CD1 1 ATOM 59 C CD2 . PHE A 1 8 ? 13.091 1.031 32.236 1.00 11.65 ? 8 PHE A CD2 1 ATOM 60 C CE1 . PHE A 1 8 ? 14.150 -0.545 34.252 1.00 12.96 ? 8 PHE A CE1 1 ATOM 61 C CE2 . PHE A 1 8 ? 13.171 -0.345 32.071 1.00 14.70 ? 8 PHE A CE2 1 ATOM 62 C CZ . PHE A 1 8 ? 13.708 -1.137 33.084 1.00 14.47 ? 8 PHE A CZ 1 ATOM 63 N N . ILE A 1 9 ? 11.804 5.708 35.510 1.00 14.56 ? 9 ILE A N 1 ATOM 64 C CA . ILE A 1 9 ? 12.020 7.142 35.711 1.00 16.65 ? 9 ILE A CA 1 ATOM 65 C C . ILE A 1 9 ? 13.514 7.426 35.711 1.00 17.27 ? 9 ILE A C 1 ATOM 66 O O . ILE A 1 9 ? 13.995 8.372 35.077 1.00 14.61 ? 9 ILE A O 1 ATOM 67 C CB . ILE A 1 9 ? 11.359 7.620 37.019 1.00 19.55 ? 9 ILE A CB 1 ATOM 68 C CG1 . ILE A 1 9 ? 9.874 7.256 37.043 1.00 24.64 ? 9 ILE A CG1 1 ATOM 69 C CG2 . ILE A 1 9 ? 11.571 9.138 37.208 1.00 19.94 ? 9 ILE A CG2 1 ATOM 70 C CD1 . ILE A 1 9 ? 9.241 7.388 38.427 1.00 26.30 ? 9 ILE A CD1 1 ATOM 71 N N . ASN A 1 10 ? 14.264 6.599 36.432 1.00 14.51 ? 10 ASN A N 1 ATOM 72 C CA . ASN A 1 10 ? 15.704 6.466 36.331 1.00 17.68 ? 10 ASN A CA 1 ATOM 73 C C . ASN A 1 10 ? 16.016 4.980 36.248 1.00 16.31 ? 10 ASN A C 1 ATOM 74 O O . ASN A 1 10 ? 15.158 4.136 36.521 1.00 16.05 ? 10 ASN A O 1 ATOM 75 C CB . ASN A 1 10 ? 16.426 7.083 37.543 1.00 22.30 ? 10 ASN A CB 1 ATOM 76 C CG . ASN A 1 10 ? 16.062 8.543 37.769 1.00 29.09 ? 10 ASN A CG 1 ATOM 77 O OD1 . ASN A 1 10 ? 15.141 8.858 38.526 1.00 34.63 ? 10 ASN A OD1 1 ATOM 78 N ND2 . ASN A 1 10 ? 16.794 9.442 37.118 1.00 28.86 ? 10 ASN A ND2 1 ATOM 79 N N . PHE A 1 11 ? 17.254 4.666 35.876 1.00 13.67 ? 11 PHE A N 1 ATOM 80 C CA . PHE A 1 11 ? 17.795 3.316 35.962 1.00 14.66 ? 11 PHE A CA 1 ATOM 81 C C . PHE A 1 11 ? 18.626 3.182 37.227 1.00 16.56 ? 11 PHE A C 1 ATOM 82 O O . PHE A 1 11 ? 19.254 4.141 37.682 1.00 20.97 ? 11 PHE A O 1 ATOM 83 C CB . PHE A 1 11 ? 18.679 2.983 34.757 1.00 13.07 ? 11 PHE A CB 1 ATOM 84 C CG . PHE A 1 11 ? 17.946 2.961 33.461 1.00 16.42 ? 11 PHE A CG 1 ATOM 85 C CD1 . PHE A 1 11 ? 17.262 1.829 33.064 1.00 14.81 ? 11 PHE A CD1 1 ATOM 86 C CD2 . PHE A 1 11 ? 17.944 4.077 32.632 1.00 16.39 ? 11 PHE A CD2 1 ATOM 87 C CE1 . PHE A 1 11 ? 16.577 1.801 31.855 1.00 16.17 ? 11 PHE A CE1 1 ATOM 88 C CE2 . PHE A 1 11 ? 17.267 4.061 31.435 1.00 17.09 ? 11 PHE A CE2 1 ATOM 89 C CZ . PHE A 1 11 ? 16.577 2.922 31.045 1.00 15.39 ? 11 PHE A CZ 1 ATOM 90 N N . ASP A 1 12 ? 18.635 1.983 37.792 1.00 13.89 ? 12 ASP A N 1 ATOM 91 C CA . ASP A 1 12 ? 19.576 1.666 38.853 1.00 13.49 ? 12 ASP A CA 1 ATOM 92 C C . ASP A 1 12 ? 20.393 0.450 38.451 1.00 13.36 ? 12 ASP A C 1 ATOM 93 O O . ASP A 1 12 ? 19.911 -0.428 37.728 1.00 13.42 ? 12 ASP A O 1 ATOM 94 C CB . ASP A 1 12 ? 18.876 1.405 40.188 1.00 12.69 ? 12 ASP A CB 1 ATOM 95 C CG . ASP A 1 12 ? 19.861 1.323 41.352 1.00 18.94 ? 12 ASP A CG 1 ATOM 96 O OD1 . ASP A 1 12 ? 20.467 0.248 41.565 1.00 15.74 ? 12 ASP A OD1 1 ATOM 97 O OD2 . ASP A 1 12 ? 20.035 2.342 42.044 1.00 17.33 ? 12 ASP A OD2 1 ATOM 98 N N . GLN A 1 13 ? 21.640 0.408 38.932 1.00 12.36 ? 13 GLN A N 1 ATOM 99 C CA . GLN A 1 13 ? 22.552 -0.685 38.619 1.00 13.14 ? 13 GLN A CA 1 ATOM 100 C C . GLN A 1 13 ? 22.051 -2.039 39.101 1.00 11.46 ? 13 GLN A C 1 ATOM 101 O O . GLN A 1 13 ? 22.591 -3.063 38.668 1.00 12.69 ? 13 GLN A O 1 ATOM 102 C CB . GLN A 1 13 ? 23.920 -0.411 39.249 1.00 13.20 ? 13 GLN A CB 1 ATOM 103 C CG . GLN A 1 13 ? 23.850 -0.316 40.775 1.00 13.24 ? 13 GLN A CG 1 ATOM 104 C CD . GLN A 1 13 ? 25.101 0.278 41.377 1.00 16.76 ? 13 GLN A CD 1 ATOM 105 O OE1 . GLN A 1 13 ? 26.151 0.297 40.738 1.00 18.62 ? 13 GLN A OE1 1 ATOM 106 N NE2 . GLN A 1 13 ? 24.998 0.773 42.610 1.00 14.77 ? 13 GLN A NE2 1 ATOM 107 N N . ASP A 1 14 ? 21.059 -2.079 39.996 1.00 12.46 ? 14 ASP A N 1 ATOM 108 C CA . ASP A 1 14 ? 20.510 -3.353 40.456 1.00 14.90 ? 14 ASP A CA 1 ATOM 109 C C . ASP A 1 14 ? 19.420 -3.906 39.540 1.00 15.04 ? 14 ASP A C 1 ATOM 110 O O . ASP A 1 14 ? 18.872 -4.974 39.837 1.00 15.02 ? 14 ASP A O 1 ATOM 111 C CB . ASP A 1 14 ? 19.955 -3.217 41.888 1.00 15.65 ? 14 ASP A CB 1 ATOM 112 C CG . ASP A 1 14 ? 18.672 -2.385 41.964 1.00 17.75 ? 14 ASP A CG 1 ATOM 113 O OD1 . ASP A 1 14 ? 18.125 -1.982 40.913 1.00 15.62 ? 14 ASP A OD1 1 ATOM 114 O OD2 . ASP A 1 14 ? 18.186 -2.142 43.094 1.00 16.68 ? 14 ASP A OD2 1 ATOM 115 N N . GLU A 1 15 ? 19.085 -3.209 38.451 1.00 12.75 ? 15 GLU A N 1 ATOM 116 C CA . GLU A 1 15 ? 17.867 -3.524 37.707 1.00 13.38 ? 15 GLU A CA 1 ATOM 117 C C . GLU A 1 15 ? 17.877 -4.972 37.231 1.00 14.29 ? 15 GLU A C 1 ATOM 118 O O . GLU A 1 15 ? 18.799 -5.401 36.530 1.00 13.67 ? 15 GLU A O 1 ATOM 119 C CB . GLU A 1 15 ? 17.704 -2.584 36.515 1.00 13.58 ? 15 GLU A CB 1 ATOM 120 C CG . GLU A 1 15 ? 16.549 -3.003 35.603 1.00 11.43 ? 15 GLU A CG 1 ATOM 121 C CD . GLU A 1 15 ? 15.216 -3.094 36.338 1.00 14.22 ? 15 GLU A CD 1 ATOM 122 O OE1 . GLU A 1 15 ? 14.920 -2.198 37.158 1.00 12.75 ? 15 GLU A OE1 1 ATOM 123 O OE2 . GLU A 1 15 ? 14.463 -4.063 36.094 1.00 14.61 ? 15 GLU A OE2 1 ATOM 124 N N . ARG A 1 16 ? 16.835 -5.715 37.599 1.00 12.18 ? 16 ARG A N 1 ATOM 125 C CA . ARG A 1 16 ? 16.777 -7.150 37.331 1.00 11.42 ? 16 ARG A CA 1 ATOM 126 C C . ARG A 1 16 ? 16.266 -7.486 35.937 1.00 11.66 ? 16 ARG A C 1 ATOM 127 O O . ARG A 1 16 ? 16.553 -8.579 35.436 1.00 11.81 ? 16 ARG A O 1 ATOM 128 C CB . ARG A 1 16 ? 15.870 -7.836 38.359 1.00 13.36 ? 16 ARG A CB 1 ATOM 129 C CG . ARG A 1 16 ? 16.336 -7.686 39.812 1.00 13.09 ? 16 ARG A CG 1 ATOM 130 C CD . ARG A 1 16 ? 17.469 -8.660 40.150 1.00 13.86 ? 16 ARG A CD 1 ATOM 131 N NE . ARG A 1 16 ? 17.905 -8.514 41.544 1.00 11.86 ? 16 ARG A NE 1 ATOM 132 C CZ . ARG A 1 16 ? 17.403 -9.201 42.568 1.00 16.95 ? 16 ARG A CZ 1 ATOM 133 N NH1 . ARG A 1 16 ? 16.429 -10.090 42.369 1.00 13.93 ? 16 ARG A NH1 1 ATOM 134 N NH2 . ARG A 1 16 ? 17.867 -8.991 43.799 1.00 12.26 ? 16 ARG A NH2 1 ATOM 135 N N . ASN A 1 17 ? 15.512 -6.592 35.296 1.00 11.93 ? 17 ASN A N 1 ATOM 136 C CA . ASN A 1 17 ? 14.757 -6.957 34.100 1.00 11.22 ? 17 ASN A CA 1 ATOM 137 C C . ASN A 1 17 ? 15.359 -6.394 32.817 1.00 13.92 ? 17 ASN A C 1 ATOM 138 O O . ASN A 1 17 ? 14.645 -6.202 31.825 1.00 13.46 ? 17 ASN A O 1 ATOM 139 C CB . ASN A 1 17 ? 13.307 -6.504 34.231 1.00 11.58 ? 17 ASN A CB 1 ATOM 140 C CG . ASN A 1 17 ? 12.651 -7.056 35.466 1.00 14.49 ? 17 ASN A CG 1 ATOM 141 O OD1 . ASN A 1 17 ? 12.289 -6.315 36.384 1.00 19.41 ? 17 ASN A OD1 1 ATOM 142 N ND2 . ASN A 1 17 ? 12.545 -8.361 35.525 1.00 11.10 ? 17 ASN A ND2 1 ATOM 143 N N . VAL A 1 18 ? 16.652 -6.112 32.816 1.00 13.46 ? 18 VAL A N 1 ATOM 144 C CA . VAL A 1 18 ? 17.319 -5.707 31.587 1.00 13.85 ? 18 VAL A CA 1 ATOM 145 C C . VAL A 1 18 ? 18.473 -6.659 31.327 1.00 13.80 ? 18 VAL A C 1 ATOM 146 O O . VAL A 1 18 ? 19.081 -7.209 32.253 1.00 17.01 ? 18 VAL A O 1 ATOM 147 C CB . VAL A 1 18 ? 17.812 -4.247 31.620 1.00 16.81 ? 18 VAL A CB 1 ATOM 148 C CG1 . VAL A 1 18 ? 16.626 -3.287 31.641 1.00 16.06 ? 18 VAL A CG1 1 ATOM 149 C CG2 . VAL A 1 18 ? 18.712 -4.024 32.808 1.00 21.50 ? 18 VAL A CG2 1 ATOM 150 N N . ILE A 1 19 ? 18.747 -6.864 30.044 1.00 12.76 ? 19 ILE A N 1 ATOM 151 C CA . ILE A 1 19 ? 19.810 -7.734 29.558 1.00 12.77 ? 19 ILE A CA 1 ATOM 152 C C . ILE A 1 19 ? 20.869 -6.837 28.937 1.00 14.86 ? 19 ILE A C 1 ATOM 153 O O . ILE A 1 19 ? 20.577 -6.105 27.982 1.00 14.19 ? 19 ILE A O 1 ATOM 154 C CB . ILE A 1 19 ? 19.277 -8.737 28.522 1.00 15.43 ? 19 ILE A CB 1 ATOM 155 C CG1 . ILE A 1 19 ? 18.182 -9.620 29.130 1.00 15.27 ? 19 ILE A CG1 1 ATOM 156 C CG2 . ILE A 1 19 ? 20.414 -9.549 27.920 1.00 14.88 ? 19 ILE A CG2 1 ATOM 157 C CD1 . ILE A 1 19 ? 17.454 -10.463 28.106 1.00 17.27 ? 19 ILE A CD1 1 ATOM 158 N N . ALA A 1 20 ? 22.094 -6.901 29.455 1.00 14.41 ? 20 ALA A N 1 ATOM 159 C CA . ALA A 1 20 ? 23.197 -6.108 28.917 1.00 14.83 ? 20 ALA A CA 1 ATOM 160 C C . ALA A 1 20 ? 23.988 -6.929 27.906 1.00 15.70 ? 20 ALA A C 1 ATOM 161 O O . ALA A 1 20 ? 24.310 -8.093 28.162 1.00 14.24 ? 20 ALA A O 1 ATOM 162 C CB . ALA A 1 20 ? 24.119 -5.629 30.038 1.00 15.85 ? 20 ALA A CB 1 ATOM 163 N N . GLN A 1 21 ? 24.290 -6.324 26.758 1.00 11.47 ? 21 GLN A N 1 ATOM 164 C CA . GLN A 1 21 ? 25.113 -6.946 25.730 1.00 11.97 ? 21 GLN A CA 1 ATOM 165 C C . GLN A 1 21 ? 26.307 -6.053 25.411 1.00 11.52 ? 21 GLN A C 1 ATOM 166 O O . GLN A 1 21 ? 26.208 -4.824 25.448 1.00 13.57 ? 21 GLN A O 1 ATOM 167 C CB . GLN A 1 21 ? 24.288 -7.218 24.458 1.00 13.07 ? 21 GLN A CB 1 ATOM 168 C CG . GLN A 1 21 ? 22.989 -8.012 24.727 1.00 12.81 ? 21 GLN A CG 1 ATOM 169 C CD . GLN A 1 21 ? 22.279 -8.435 23.448 1.00 15.13 ? 21 GLN A CD 1 ATOM 170 O OE1 . GLN A 1 21 ? 22.190 -7.668 22.494 1.00 14.00 ? 21 GLN A OE1 1 ATOM 171 N NE2 . GLN A 1 21 ? 21.791 -9.670 23.419 1.00 12.12 ? 21 GLN A NE2 1 ATOM 172 N N . GLY A 1 22 ? 27.443 -6.678 25.108 1.00 15.19 ? 22 GLY A N 1 ATOM 173 C CA . GLY A 1 22 ? 28.635 -5.901 24.793 1.00 13.57 ? 22 GLY A CA 1 ATOM 174 C C . GLY A 1 22 ? 29.052 -5.036 25.965 1.00 14.43 ? 22 GLY A C 1 ATOM 175 O O . GLY A 1 22 ? 29.119 -5.492 27.109 1.00 12.66 ? 22 GLY A O 1 ATOM 176 N N . ASP A 1 23 ? 29.299 -3.758 25.692 1.00 11.61 ? 23 ASP A N 1 ATOM 177 C CA . ASP A 1 23 ? 29.870 -2.857 26.680 1.00 13.17 ? 23 ASP A CA 1 ATOM 178 C C . ASP A 1 23 ? 28.819 -2.109 27.498 1.00 11.81 ? 23 ASP A C 1 ATOM 179 O O . ASP A 1 23 ? 29.181 -1.216 28.270 1.00 12.80 ? 23 ASP A O 1 ATOM 180 C CB . ASP A 1 23 ? 30.810 -1.854 25.989 1.00 11.98 ? 23 ASP A CB 1 ATOM 181 C CG . ASP A 1 23 ? 32.013 -2.536 25.331 1.00 19.57 ? 23 ASP A CG 1 ATOM 182 O OD1 . ASP A 1 23 ? 32.531 -3.511 25.911 1.00 16.78 ? 23 ASP A OD1 1 ATOM 183 O OD2 . ASP A 1 23 ? 32.449 -2.098 24.242 1.00 15.59 ? 23 ASP A OD2 1 ATOM 184 N N . ALA A 1 24 ? 27.541 -2.456 27.365 1.00 13.01 ? 24 ALA A N 1 ATOM 185 C CA . ALA A 1 24 ? 26.494 -1.703 28.050 1.00 11.37 ? 24 ALA A CA 1 ATOM 186 C C . ALA A 1 24 ? 26.485 -1.989 29.549 1.00 13.04 ? 24 ALA A C 1 ATOM 187 O O . ALA A 1 24 ? 26.764 -3.109 29.995 1.00 12.43 ? 24 ALA A O 1 ATOM 188 C CB . ALA A 1 24 ? 25.128 -2.036 27.459 1.00 11.51 ? 24 ALA A CB 1 ATOM 189 N N . ARG A 1 25 ? 26.150 -0.958 30.329 1.00 12.33 ? 25 ARG A N 1 ATOM 190 C CA . ARG A 1 25 ? 26.060 -1.087 31.780 1.00 14.58 ? 25 ARG A CA 1 ATOM 191 C C . ARG A 1 25 ? 25.250 0.084 32.316 1.00 17.63 ? 25 ARG A C 1 ATOM 192 O O . ARG A 1 25 ? 25.154 1.132 31.677 1.00 17.52 ? 25 ARG A O 1 ATOM 193 C CB . ARG A 1 25 ? 27.450 -1.116 32.429 1.00 12.38 ? 25 ARG A CB 1 ATOM 194 C CG . ARG A 1 25 ? 28.193 0.212 32.308 1.00 15.61 ? 25 ARG A CG 1 ATOM 195 C CD . ARG A 1 25 ? 29.592 0.034 31.736 1.00 20.10 ? 25 ARG A CD 1 ATOM 196 N NE . ARG A 1 25 ? 30.239 1.325 31.516 1.00 22.66 ? 25 ARG A NE 1 ATOM 197 C CZ . ARG A 1 25 ? 30.212 1.987 30.361 1.00 25.71 ? 25 ARG A CZ 1 ATOM 198 N NH1 . ARG A 1 25 ? 29.573 1.472 29.316 1.00 17.45 ? 25 ARG A NH1 1 ATOM 199 N NH2 . ARG A 1 25 ? 30.824 3.164 30.245 1.00 20.24 ? 25 ARG A NH2 1 ATOM 200 N N . ILE A 1 26 ? 24.667 -0.101 33.498 1.00 15.96 ? 26 ILE A N 1 ATOM 201 C CA . ILE A 1 26 ? 24.051 0.998 34.234 1.00 12.19 ? 26 ILE A CA 1 ATOM 202 C C . ILE A 1 26 ? 25.044 1.436 35.298 1.00 14.20 ? 26 ILE A C 1 ATOM 203 O O . ILE A 1 26 ? 25.447 0.632 36.147 1.00 14.90 ? 26 ILE A O 1 ATOM 204 C CB . ILE A 1 26 ? 22.710 0.594 34.864 1.00 13.26 ? 26 ILE A CB 1 ATOM 205 C CG1 . ILE A 1 26 ? 21.710 0.175 33.781 1.00 16.19 ? 26 ILE A CG1 1 ATOM 206 C CG2 . ILE A 1 26 ? 22.133 1.756 35.683 1.00 11.69 ? 26 ILE A CG2 1 ATOM 207 C CD1 . ILE A 1 26 ? 20.559 -0.668 34.331 1.00 14.49 ? 26 ILE A CD1 1 ATOM 208 N N . SER A 1 27 ? 25.450 2.673 35.238 1.00 14.70 ? 27 SER A N 1 ATOM 209 C CA . SER A 1 27 ? 26.427 3.140 36.173 1.00 14.43 ? 27 SER A CA 1 ATOM 210 C C . SER A 1 27 ? 25.965 3.303 37.608 1.00 14.40 ? 27 SER A C 1 ATOM 211 O O . SER A 1 27 ? 24.817 3.389 37.874 1.00 14.08 ? 27 SER A O 1 ATOM 212 C CB . SER A 1 27 ? 26.949 4.486 35.703 1.00 20.00 ? 27 SER A CB 1 ATOM 213 O OG . SER A 1 27 ? 26.056 5.499 36.043 1.00 25.23 ? 27 SER A OG 1 ATOM 214 N N . GLY A 1 28 ? 26.938 3.420 38.512 1.00 17.46 ? 28 GLY A N 1 ATOM 215 C CA . GLY A 1 28 ? 26.607 3.750 39.884 1.00 17.68 ? 28 GLY A CA 1 ATOM 216 C C . GLY A 1 28 ? 25.926 5.096 40.050 1.00 21.14 ? 28 GLY A C 1 ATOM 217 O O . GLY A 1 28 ? 25.356 5.358 41.112 1.00 22.80 ? 28 GLY A O 1 ATOM 218 N N . ASN A 1 29 ? 25.902 6.049 39.158 1.00 20.98 ? 29 ASN A N 1 ATOM 219 C CA . ASN A 1 29 ? 25.246 7.351 39.215 1.00 21.87 ? 29 ASN A CA 1 ATOM 220 C C . ASN A 1 29 ? 23.899 7.358 38.490 1.00 20.75 ? 29 ASN A C 1 ATOM 221 O O . ASN A 1 29 ? 23.383 8.431 38.156 1.00 19.13 ? 29 ASN A O 1 ATOM 222 C CB . ASN A 1 29 ? 26.176 8.451 38.675 1.00 25.22 ? 29 ASN A CB 1 ATOM 223 C CG . ASN A 1 29 ? 26.421 8.371 37.162 1.00 34.49 ? 29 ASN A CG 1 ATOM 224 O OD1 . ASN A 1 29 ? 25.497 8.281 36.355 1.00 36.29 ? 29 ASN A OD1 1 ATOM 225 N ND2 . ASN A 1 29 ? 27.692 8.428 36.776 1.00 48.96 ? 29 ASN A ND2 1 ATOM 226 N N . ASN A 1 30 ? 23.399 6.087 38.103 1.00 18.11 ? 30 ASN A N 1 ATOM 227 C CA . ASN A 1 30 ? 22.032 5.925 37.600 1.00 19.08 ? 30 ASN A CA 1 ATOM 228 C C . ASN A 1 30 ? 21.881 6.339 36.138 1.00 22.84 ? 30 ASN A C 1 ATOM 229 O O . ASN A 1 30 ? 20.795 6.738 35.713 1.00 26.60 ? 30 ASN A O 1 ATOM 230 C CB . ASN A 1 30 ? 21.020 6.688 38.458 1.00 20.57 ? 30 ASN A CB 1 ATOM 231 C CG . ASN A 1 30 ? 21.162 6.377 39.936 1.00 26.69 ? 30 ASN A CG 1 ATOM 232 O OD1 . ASN A 1 30 ? 21.311 5.225 40.329 1.00 26.87 ? 30 ASN A OD1 1 ATOM 233 N ND2 . ASN A 1 30 ? 21.122 7.410 40.758 1.00 27.59 ? 30 ASN A ND2 1 ATOM 234 N N . ILE A 1 31 ? 22.944 6.238 35.349 1.00 18.31 ? 31 ILE A N 1 ATOM 235 C CA . ILE A 1 31 ? 22.887 6.480 33.912 1.00 18.52 ? 31 ILE A CA 1 ATOM 236 C C . ILE A 1 31 ? 23.155 5.161 33.206 1.00 14.53 ? 31 ILE A C 1 ATOM 237 O O . ILE A 1 31 ? 24.098 4.446 33.560 1.00 15.11 ? 31 ILE A O 1 ATOM 238 C CB . ILE A 1 31 ? 23.912 7.539 33.472 1.00 19.58 ? 31 ILE A CB 1 ATOM 239 C CG1 . ILE A 1 31 ? 23.673 8.868 34.200 1.00 21.69 ? 31 ILE A CG1 1 ATOM 240 C CG2 . ILE A 1 31 ? 23.870 7.708 31.955 1.00 18.02 ? 31 ILE A CG2 1 ATOM 241 C CD1 . ILE A 1 31 ? 22.359 9.524 33.834 1.00 23.47 ? 31 ILE A CD1 1 ATOM 242 N N . LEU A 1 32 ? 22.340 4.840 32.207 1.00 13.97 ? 32 LEU A N 1 ATOM 243 C CA . LEU A 1 32 ? 22.578 3.652 31.394 1.00 11.92 ? 32 LEU A CA 1 ATOM 244 C C . LEU A 1 32 ? 23.559 4.034 30.290 1.00 14.35 ? 32 LEU A C 1 ATOM 245 O O . LEU A 1 32 ? 23.218 4.799 29.385 1.00 14.23 ? 32 LEU A O 1 ATOM 246 C CB . LEU A 1 32 ? 21.264 3.106 30.837 1.00 14.18 ? 32 LEU A CB 1 ATOM 247 C CG . LEU A 1 32 ? 21.330 1.667 30.325 1.00 18.34 ? 32 LEU A CG 1 ATOM 248 C CD1 . LEU A 1 32 ? 19.953 1.000 30.410 1.00 20.08 ? 32 LEU A CD1 1 ATOM 249 C CD2 . LEU A 1 32 ? 21.824 1.655 28.901 1.00 19.36 ? 32 LEU A CD2 1 ATOM 250 N N . GLN A 1 33 ? 24.774 3.496 30.366 1.00 14.40 ? 33 GLN A N 1 ATOM 251 C CA . GLN A 1 33 ? 25.849 3.814 29.433 1.00 13.86 ? 33 GLN A CA 1 ATOM 252 C C . GLN A 1 33 ? 26.009 2.666 28.444 1.00 14.44 ? 33 GLN A C 1 ATOM 253 O O . GLN A 1 33 ? 26.340 1.546 28.845 1.00 13.53 ? 33 GLN A O 1 ATOM 254 C CB . GLN A 1 33 ? 27.157 4.050 30.191 1.00 14.57 ? 33 GLN A CB 1 ATOM 255 C CG . GLN A 1 33 ? 27.036 5.118 31.278 1.00 16.06 ? 33 GLN A CG 1 ATOM 256 C CD . GLN A 1 33 ? 28.233 5.116 32.223 1.00 25.11 ? 33 GLN A CD 1 ATOM 257 O OE1 . GLN A 1 33 ? 28.727 4.055 32.621 1.00 29.62 ? 33 GLN A OE1 1 ATOM 258 N NE2 . GLN A 1 33 ? 28.689 6.296 32.594 1.00 26.33 ? 33 GLN A NE2 1 ATOM 259 N N . LEU A 1 34 ? 25.796 2.942 27.155 1.00 11.46 ? 34 LEU A N 1 ATOM 260 C CA . LEU A 1 34 ? 25.820 1.845 26.195 1.00 12.53 ? 34 LEU A CA 1 ATOM 261 C C . LEU A 1 34 ? 27.231 1.511 25.724 1.00 12.95 ? 34 LEU A C 1 ATOM 262 O O . LEU A 1 34 ? 27.498 0.352 25.400 1.00 13.19 ? 34 LEU A O 1 ATOM 263 C CB . LEU A 1 34 ? 24.919 2.165 24.997 1.00 13.17 ? 34 LEU A CB 1 ATOM 264 C CG . LEU A 1 34 ? 23.415 2.193 25.309 1.00 11.46 ? 34 LEU A CG 1 ATOM 265 C CD1 . LEU A 1 34 ? 22.652 2.704 24.102 1.00 12.34 ? 34 LEU A CD1 1 ATOM 266 C CD2 . LEU A 1 34 ? 22.892 0.808 25.678 1.00 10.89 ? 34 LEU A CD2 1 ATOM 267 N N . THR A 1 35 ? 28.143 2.483 25.681 1.00 12.05 ? 35 THR A N 1 ATOM 268 C CA . THR A 1 35 ? 29.458 2.246 25.103 1.00 9.93 ? 35 THR A CA 1 ATOM 269 C C . THR A 1 35 ? 30.555 2.458 26.146 1.00 14.06 ? 35 THR A C 1 ATOM 270 O O . THR A 1 35 ? 30.362 3.134 27.161 1.00 13.13 ? 35 THR A O 1 ATOM 271 C CB . THR A 1 35 ? 29.698 3.136 23.869 1.00 11.83 ? 35 THR A CB 1 ATOM 272 O OG1 . THR A 1 35 ? 29.338 4.491 24.164 1.00 12.79 ? 35 THR A OG1 1 ATOM 273 C CG2 . THR A 1 35 ? 28.855 2.627 22.670 1.00 11.80 ? 35 THR A CG2 1 ATOM 274 N N . ARG A 1 36 ? 31.712 1.857 25.866 1.00 15.42 ? 36 ARG A N 1 ATOM 275 C CA . ARG A 1 36 ? 32.813 1.749 26.818 1.00 14.96 ? 36 ARG A CA 1 ATOM 276 C C . ARG A 1 36 ? 33.493 3.097 27.050 1.00 15.65 ? 36 ARG A C 1 ATOM 277 O O . ARG A 1 36 ? 33.573 3.947 26.157 1.00 14.05 ? 36 ARG A O 1 ATOM 278 C CB . ARG A 1 36 ? 33.839 0.723 26.303 1.00 15.27 ? 36 ARG A CB 1 ATOM 279 C CG . ARG A 1 36 ? 34.909 0.275 27.307 1.00 19.16 ? 36 ARG A CG 1 ATOM 280 C CD . ARG A 1 36 ? 35.743 -0.908 26.757 1.00 23.22 ? 36 ARG A CD 1 ATOM 281 N NE . ARG A 1 36 ? 36.440 -0.563 25.514 1.00 30.81 ? 36 ARG A NE 1 ATOM 282 C CZ . ARG A 1 36 ? 36.201 -1.105 24.313 1.00 33.67 ? 36 ARG A CZ 1 ATOM 283 N NH1 . ARG A 1 36 ? 35.287 -2.068 24.149 1.00 28.77 ? 36 ARG A NH1 1 ATOM 284 N NH2 . ARG A 1 36 ? 36.896 -0.688 23.263 1.00 23.89 ? 36 ARG A NH2 1 ATOM 285 N N . THR A 1 37 ? 33.995 3.283 28.274 1.00 16.69 ? 37 THR A N 1 ATOM 286 C CA . THR A 1 37 ? 34.792 4.447 28.640 1.00 17.11 ? 37 THR A CA 1 ATOM 287 C C . THR A 1 37 ? 36.057 3.980 29.354 1.00 21.20 ? 37 THR A C 1 ATOM 288 O O . THR A 1 37 ? 36.089 2.897 29.940 1.00 17.83 ? 37 THR A O 1 ATOM 289 C CB . THR A 1 37 ? 34.019 5.401 29.558 1.00 18.70 ? 37 THR A CB 1 ATOM 290 O OG1 . THR A 1 37 ? 33.579 4.679 30.717 1.00 18.40 ? 37 THR A OG1 1 ATOM 291 C CG2 . THR A 1 37 ? 32.811 5.997 28.837 1.00 16.15 ? 37 THR A CG2 1 ATOM 292 N N . ASP A 1 38 ? 37.104 4.810 29.320 1.00 20.56 ? 38 ASP A N 1 ATOM 293 C CA . ASP A 1 38 ? 38.328 4.469 30.039 1.00 23.45 ? 38 ASP A CA 1 ATOM 294 C C . ASP A 1 38 ? 38.126 4.797 31.520 1.00 23.44 ? 38 ASP A C 1 ATOM 295 O O . ASP A 1 38 ? 37.041 5.195 31.948 1.00 21.73 ? 38 ASP A O 1 ATOM 296 C CB . ASP A 1 38 ? 39.548 5.160 29.422 1.00 22.42 ? 38 ASP A CB 1 ATOM 297 C CG . ASP A 1 38 ? 39.528 6.691 29.576 1.00 21.41 ? 38 ASP A CG 1 ATOM 298 O OD1 . ASP A 1 38 ? 38.823 7.231 30.454 1.00 22.07 ? 38 ASP A OD1 1 ATOM 299 O OD2 . ASP A 1 38 ? 40.250 7.361 28.806 1.00 26.94 ? 38 ASP A OD2 1 ATOM 300 N N . SER A 1 39 ? 39.179 4.659 32.328 1.00 28.21 ? 39 SER A N 1 ATOM 301 C CA . SER A 1 39 ? 39.017 4.851 33.766 1.00 30.40 ? 39 SER A CA 1 ATOM 302 C C . SER A 1 39 ? 38.737 6.299 34.152 1.00 31.36 ? 39 SER A C 1 ATOM 303 O O . SER A 1 39 ? 38.323 6.544 35.291 1.00 34.60 ? 39 SER A O 1 ATOM 304 C CB . SER A 1 39 ? 40.254 4.333 34.511 1.00 32.30 ? 39 SER A CB 1 ATOM 305 O OG . SER A 1 39 ? 41.447 4.732 33.863 1.00 35.74 ? 39 SER A OG 1 ATOM 306 N N . ASP A 1 40 ? 38.910 7.240 33.243 1.00 28.61 ? 40 ASP A N 1 ATOM 307 C CA . ASP A 1 40 ? 38.570 8.617 33.519 1.00 26.45 ? 40 ASP A CA 1 ATOM 308 C C . ASP A 1 40 ? 37.140 8.950 33.079 1.00 30.13 ? 40 ASP A C 1 ATOM 309 O O . ASP A 1 40 ? 36.707 10.052 33.266 1.00 32.42 ? 40 ASP A O 1 ATOM 310 C CB . ASP A 1 40 ? 39.493 9.568 32.776 1.00 30.00 ? 40 ASP A CB 1 ATOM 311 C CG . ASP A 1 40 ? 40.902 9.514 33.249 1.00 30.00 ? 40 ASP A CG 1 ATOM 312 O OD1 . ASP A 1 40 ? 41.118 9.374 34.433 1.00 30.00 ? 40 ASP A OD1 1 ATOM 313 O OD2 . ASP A 1 40 ? 41.784 9.604 32.421 1.00 30.00 ? 40 ASP A OD2 1 ATOM 314 N N . GLY A 1 41 ? 36.414 7.998 32.501 1.00 26.21 ? 41 GLY A N 1 ATOM 315 C CA . GLY A 1 41 ? 35.105 8.269 31.945 1.00 22.44 ? 41 GLY A CA 1 ATOM 316 C C . GLY A 1 41 ? 35.121 8.786 30.524 1.00 19.59 ? 41 GLY A C 1 ATOM 317 O O . GLY A 1 41 ? 34.071 9.190 30.013 1.00 21.40 ? 41 GLY A O 1 ATOM 318 N N . THR A 1 42 ? 36.267 8.784 29.874 1.00 18.01 ? 42 THR A N 1 ATOM 319 C CA . THR A 1 42 ? 36.375 9.282 28.507 1.00 23.24 ? 42 THR A CA 1 ATOM 320 C C . THR A 1 42 ? 35.918 8.204 27.530 1.00 17.69 ? 42 THR A C 1 ATOM 321 O O . THR A 1 42 ? 36.306 7.045 27.683 1.00 15.44 ? 42 THR A O 1 ATOM 322 C CB . THR A 1 42 ? 37.823 9.683 28.224 1.00 24.12 ? 42 THR A CB 1 ATOM 323 O OG1 . THR A 1 42 ? 38.220 10.682 29.173 1.00 24.64 ? 42 THR A OG1 1 ATOM 324 C CG2 . THR A 1 42 ? 37.986 10.229 26.810 1.00 22.33 ? 42 THR A CG2 1 ATOM 325 N N . PRO A 1 43 ? 35.096 8.536 26.530 1.00 16.12 ? 43 PRO A N 1 ATOM 326 C CA . PRO A 1 43 ? 34.699 7.520 25.542 1.00 13.69 ? 43 PRO A CA 1 ATOM 327 C C . PRO A 1 43 ? 35.911 7.013 24.776 1.00 15.20 ? 43 PRO A C 1 ATOM 328 O O . PRO A 1 43 ? 36.906 7.720 24.617 1.00 14.99 ? 43 PRO A O 1 ATOM 329 C CB . PRO A 1 43 ? 33.723 8.264 24.623 1.00 14.46 ? 43 PRO A CB 1 ATOM 330 C CG . PRO A 1 43 ? 34.062 9.741 24.818 1.00 14.36 ? 43 PRO A CG 1 ATOM 331 C CD . PRO A 1 43 ? 34.498 9.856 26.254 1.00 13.73 ? 43 PRO A CD 1 ATOM 332 N N . VAL A 1 44 ? 35.821 5.769 24.296 1.00 14.70 ? 44 VAL A N 1 ATOM 333 C CA . VAL A 1 44 ? 36.935 5.128 23.608 1.00 16.51 ? 44 VAL A CA 1 ATOM 334 C C . VAL A 1 44 ? 36.472 4.594 22.260 1.00 16.21 ? 44 VAL A C 1 ATOM 335 O O . VAL A 1 44 ? 35.278 4.417 22.007 1.00 14.86 ? 44 VAL A O 1 ATOM 336 C CB . VAL A 1 44 ? 37.563 3.980 24.433 1.00 17.37 ? 44 VAL A CB 1 ATOM 337 C CG1 . VAL A 1 44 ? 38.066 4.494 25.780 1.00 16.67 ? 44 VAL A CG1 1 ATOM 338 C CG2 . VAL A 1 44 ? 36.554 2.853 24.612 1.00 16.52 ? 44 VAL A CG2 1 ATOM 339 N N . ARG A 1 45 ? 37.451 4.318 21.399 1.00 15.40 ? 45 ARG A N 1 ATOM 340 C CA . ARG A 1 45 ? 37.172 3.762 20.082 1.00 16.64 ? 45 ARG A CA 1 ATOM 341 C C . ARG A 1 45 ? 36.752 2.297 20.186 1.00 18.42 ? 45 ARG A C 1 ATOM 342 O O . ARG A 1 45 ? 37.035 1.608 21.170 1.00 16.69 ? 45 ARG A O 1 ATOM 343 C CB . ARG A 1 45 ? 38.402 3.882 19.172 1.00 20.41 ? 45 ARG A CB 1 ATOM 344 C CG . ARG A 1 45 ? 39.597 3.060 19.640 1.00 30.70 ? 45 ARG A CG 1 ATOM 345 C CD . ARG A 1 45 ? 40.749 3.039 18.614 1.00 36.46 ? 45 ARG A CD 1 ATOM 346 N NE . ARG A 1 45 ? 40.443 2.232 17.428 1.00 40.93 ? 45 ARG A NE 1 ATOM 347 C CZ . ARG A 1 45 ? 40.491 0.900 17.384 1.00 42.07 ? 45 ARG A CZ 1 ATOM 348 N NH1 . ARG A 1 45 ? 40.824 0.197 18.464 1.00 38.56 ? 45 ARG A NH1 1 ATOM 349 N NH2 . ARG A 1 45 ? 40.198 0.263 16.257 1.00 35.87 ? 45 ARG A NH2 1 ATOM 350 N N . SER A 1 46 ? 36.035 1.844 19.156 1.00 14.58 ? 46 SER A N 1 ATOM 351 C CA . SER A 1 46 ? 35.737 0.433 18.882 1.00 15.47 ? 46 SER A CA 1 ATOM 352 C C . SER A 1 46 ? 35.007 -0.237 20.053 1.00 18.53 ? 46 SER A C 1 ATOM 353 O O . SER A 1 46 ? 35.509 -1.165 20.703 1.00 15.71 ? 46 SER A O 1 ATOM 354 C CB . SER A 1 46 ? 37.015 -0.329 18.514 1.00 22.25 ? 46 SER A CB 1 ATOM 355 O OG . SER A 1 46 ? 36.679 -1.592 17.974 1.00 24.33 ? 46 SER A OG 1 ATOM 356 N N . THR A 1 47 ? 33.771 0.220 20.263 1.00 12.44 ? 47 THR A N 1 ATOM 357 C CA . THR A 1 47 ? 32.930 -0.280 21.340 1.00 13.10 ? 47 THR A CA 1 ATOM 358 C C . THR A 1 47 ? 31.494 -0.398 20.844 1.00 14.09 ? 47 THR A C 1 ATOM 359 O O . THR A 1 47 ? 31.053 0.349 19.966 1.00 12.80 ? 47 THR A O 1 ATOM 360 C CB . THR A 1 47 ? 33.003 0.622 22.598 1.00 14.49 ? 47 THR A CB 1 ATOM 361 O OG1 . THR A 1 47 ? 31.975 0.252 23.536 1.00 14.25 ? 47 THR A OG1 1 ATOM 362 C CG2 . THR A 1 47 ? 32.855 2.094 22.225 1.00 13.10 ? 47 THR A CG2 1 ATOM 363 N N . VAL A 1 48 ? 30.774 -1.367 21.400 1.00 12.66 ? 48 VAL A N 1 ATOM 364 C CA . VAL A 1 48 ? 29.367 -1.560 21.076 1.00 11.16 ? 48 VAL A CA 1 ATOM 365 C C . VAL A 1 48 ? 28.681 -2.102 22.320 1.00 12.42 ? 48 VAL A C 1 ATOM 366 O O . VAL A 1 48 ? 29.244 -2.926 23.046 1.00 12.59 ? 48 VAL A O 1 ATOM 367 C CB . VAL A 1 48 ? 29.205 -2.485 19.845 1.00 13.86 ? 48 VAL A CB 1 ATOM 368 C CG1 . VAL A 1 48 ? 30.007 -3.778 20.032 1.00 16.47 ? 48 VAL A CG1 1 ATOM 369 C CG2 . VAL A 1 48 ? 27.731 -2.777 19.565 1.00 16.07 ? 48 VAL A CG2 1 ATOM 370 N N . GLY A 1 49 ? 27.486 -1.603 22.596 1.00 9.77 ? 49 GLY A N 1 ATOM 371 C CA . GLY A 1 49 ? 26.710 -2.116 23.709 1.00 11.77 ? 49 GLY A CA 1 ATOM 372 C C . GLY A 1 49 ? 25.239 -1.993 23.409 1.00 11.82 ? 49 GLY A C 1 ATOM 373 O O . GLY A 1 49 ? 24.810 -1.108 22.664 1.00 11.59 ? 49 GLY A O 1 ATOM 374 N N . ARG A 1 50 ? 24.463 -2.914 23.965 1.00 9.90 ? 50 ARG A N 1 ATOM 375 C CA . ARG A 1 50 ? 23.024 -2.903 23.772 1.00 10.87 ? 50 ARG A CA 1 ATOM 376 C C . ARG A 1 50 ? 22.370 -3.328 25.076 1.00 10.50 ? 50 ARG A C 1 ATOM 377 O O . ARG A 1 50 ? 22.973 -4.039 25.883 1.00 11.75 ? 50 ARG A O 1 ATOM 378 C CB . ARG A 1 50 ? 22.593 -3.836 22.624 1.00 9.47 ? 50 ARG A CB 1 ATOM 379 C CG . ARG A 1 50 ? 23.535 -3.832 21.404 1.00 11.29 ? 50 ARG A CG 1 ATOM 380 C CD . ARG A 1 50 ? 22.904 -4.447 20.143 1.00 11.77 ? 50 ARG A CD 1 ATOM 381 N NE . ARG A 1 50 ? 22.409 -5.803 20.356 1.00 10.19 ? 50 ARG A NE 1 ATOM 382 C CZ . ARG A 1 50 ? 21.831 -6.539 19.409 1.00 13.30 ? 50 ARG A CZ 1 ATOM 383 N NH1 . ARG A 1 50 ? 21.722 -6.072 18.165 1.00 11.28 ? 50 ARG A NH1 1 ATOM 384 N NH2 . ARG A 1 50 ? 21.369 -7.744 19.701 1.00 12.62 ? 50 ARG A NH2 1 ATOM 385 N N . ILE A 1 51 ? 21.139 -2.876 25.287 1.00 12.49 ? 51 ILE A N 1 ATOM 386 C CA . ILE A 1 51 ? 20.326 -3.412 26.368 1.00 12.58 ? 51 ILE A CA 1 ATOM 387 C C . ILE A 1 51 ? 18.988 -3.829 25.786 1.00 15.00 ? 51 ILE A C 1 ATOM 388 O O . ILE A 1 51 ? 18.496 -3.236 24.820 1.00 13.33 ? 51 ILE A O 1 ATOM 389 C CB . ILE A 1 51 ? 20.125 -2.423 27.535 1.00 16.37 ? 51 ILE A CB 1 ATOM 390 C CG1 . ILE A 1 51 ? 19.515 -1.113 27.038 1.00 14.85 ? 51 ILE A CG1 1 ATOM 391 C CG2 . ILE A 1 51 ? 21.425 -2.219 28.299 1.00 21.10 ? 51 ILE A CG2 1 ATOM 392 C CD1 . ILE A 1 51 ? 18.077 -0.946 27.455 1.00 21.31 ? 51 ILE A CD1 1 ATOM 393 N N . LEU A 1 52 ? 18.422 -4.884 26.365 1.00 10.75 ? 52 LEU A N 1 ATOM 394 C CA . LEU A 1 52 ? 17.096 -5.370 26.025 1.00 13.73 ? 52 LEU A CA 1 ATOM 395 C C . LEU A 1 52 ? 16.285 -5.487 27.305 1.00 13.77 ? 52 LEU A C 1 ATOM 396 O O . LEU A 1 52 ? 16.810 -5.908 28.337 1.00 14.47 ? 52 LEU A O 1 ATOM 397 C CB . LEU A 1 52 ? 17.162 -6.741 25.348 1.00 12.25 ? 52 LEU A CB 1 ATOM 398 C CG . LEU A 1 52 ? 17.992 -6.869 24.065 1.00 15.98 ? 52 LEU A CG 1 ATOM 399 C CD1 . LEU A 1 52 ? 18.264 -8.340 23.793 1.00 16.97 ? 52 LEU A CD1 1 ATOM 400 C CD2 . LEU A 1 52 ? 17.234 -6.244 22.904 1.00 15.25 ? 52 LEU A CD2 1 ATOM 401 N N . TYR A 1 53 ? 15.015 -5.112 27.249 1.00 11.81 ? 53 TYR A N 1 ATOM 402 C CA . TYR A 1 53 ? 14.124 -5.505 28.328 1.00 11.49 ? 53 TYR A CA 1 ATOM 403 C C . TYR A 1 53 ? 13.937 -7.014 28.255 1.00 12.78 ? 53 TYR A C 1 ATOM 404 O O . TYR A 1 53 ? 13.888 -7.593 27.166 1.00 11.75 ? 53 TYR A O 1 ATOM 405 C CB . TYR A 1 53 ? 12.782 -4.775 28.221 1.00 12.62 ? 53 TYR A CB 1 ATOM 406 C CG . TYR A 1 53 ? 11.942 -4.918 29.470 1.00 11.49 ? 53 TYR A CG 1 ATOM 407 C CD1 . TYR A 1 53 ? 12.279 -4.237 30.634 1.00 13.50 ? 53 TYR A CD1 1 ATOM 408 C CD2 . TYR A 1 53 ? 10.829 -5.747 29.495 1.00 14.05 ? 53 TYR A CD2 1 ATOM 409 C CE1 . TYR A 1 53 ? 11.521 -4.367 31.796 1.00 13.82 ? 53 TYR A CE1 1 ATOM 410 C CE2 . TYR A 1 53 ? 10.059 -5.881 30.656 1.00 14.81 ? 53 TYR A CE2 1 ATOM 411 C CZ . TYR A 1 53 ? 10.412 -5.183 31.796 1.00 17.27 ? 53 TYR A CZ 1 ATOM 412 O OH . TYR A 1 53 ? 9.657 -5.309 32.945 1.00 16.84 ? 53 TYR A OH 1 ATOM 413 N N . SER A 1 54 ? 13.882 -7.664 29.414 1.00 11.95 ? 54 SER A N 1 ATOM 414 C CA . SER A 1 54 ? 13.924 -9.125 29.409 1.00 14.99 ? 54 SER A CA 1 ATOM 415 C C . SER A 1 54 ? 12.603 -9.744 28.959 1.00 13.53 ? 54 SER A C 1 ATOM 416 O O . SER A 1 54 ? 12.605 -10.778 28.279 1.00 13.94 ? 54 SER A O 1 ATOM 417 C CB . SER A 1 54 ? 14.309 -9.642 30.797 1.00 16.97 ? 54 SER A CB 1 ATOM 418 O OG . SER A 1 54 ? 13.327 -9.282 31.753 1.00 24.76 ? 54 SER A OG 1 ATOM 419 N N . ALA A 1 55 ? 11.470 -9.145 29.321 1.00 14.35 ? 55 ALA A N 1 ATOM 420 C CA . ALA A 1 55 ? 10.185 -9.722 28.936 1.00 17.50 ? 55 ALA A CA 1 ATOM 421 C C . ALA A 1 55 ? 9.983 -9.648 27.426 1.00 14.51 ? 55 ALA A C 1 ATOM 422 O O . ALA A 1 55 ? 10.288 -8.638 26.788 1.00 13.48 ? 55 ALA A O 1 ATOM 423 C CB . ALA A 1 55 ? 9.038 -9.013 29.648 1.00 16.51 ? 55 ALA A CB 1 ATOM 424 N N . GLN A 1 56 ? 9.439 -10.719 26.855 1.00 12.33 ? 56 GLN A N 1 ATOM 425 C CA . GLN A 1 56 ? 9.283 -10.818 25.411 1.00 11.70 ? 56 GLN A CA 1 ATOM 426 C C . GLN A 1 56 ? 7.907 -10.315 24.998 1.00 13.08 ? 56 GLN A C 1 ATOM 427 O O . GLN A 1 56 ? 6.884 -10.749 25.541 1.00 13.23 ? 56 GLN A O 1 ATOM 428 C CB . GLN A 1 56 ? 9.506 -12.259 24.953 1.00 13.43 ? 56 GLN A CB 1 ATOM 429 C CG . GLN A 1 56 ? 10.889 -12.763 25.343 1.00 12.87 ? 56 GLN A CG 1 ATOM 430 C CD . GLN A 1 56 ? 11.034 -14.267 25.220 1.00 14.05 ? 56 GLN A CD 1 ATOM 431 O OE1 . GLN A 1 56 ? 10.956 -14.821 24.127 1.00 12.70 ? 56 GLN A OE1 1 ATOM 432 N NE2 . GLN A 1 56 ? 11.255 -14.935 26.351 1.00 13.18 ? 56 GLN A NE2 1 ATOM 433 N N . VAL A 1 57 ? 7.896 -9.400 24.037 1.00 12.66 ? 57 VAL A N 1 ATOM 434 C CA . VAL A 1 57 ? 6.691 -8.710 23.591 1.00 13.40 ? 57 VAL A CA 1 ATOM 435 C C . VAL A 1 57 ? 6.039 -9.528 22.488 1.00 11.80 ? 57 VAL A C 1 ATOM 436 O O . VAL A 1 57 ? 6.720 -9.972 21.557 1.00 12.66 ? 57 VAL A O 1 ATOM 437 C CB . VAL A 1 57 ? 7.041 -7.298 23.083 1.00 12.76 ? 57 VAL A CB 1 ATOM 438 C CG1 . VAL A 1 57 ? 5.805 -6.594 22.510 1.00 13.25 ? 57 VAL A CG1 1 ATOM 439 C CG2 . VAL A 1 57 ? 7.700 -6.478 24.191 1.00 12.32 ? 57 VAL A CG2 1 ATOM 440 N N . ARG A 1 58 ? 4.719 -9.710 22.567 1.00 13.28 ? 58 ARG A N 1 ATOM 441 C CA . ARG A 1 58 ? 3.978 -10.323 21.463 1.00 14.15 ? 58 ARG A CA 1 ATOM 442 C C . ARG A 1 58 ? 3.628 -9.202 20.494 1.00 13.25 ? 58 ARG A C 1 ATOM 443 O O . ARG A 1 58 ? 2.664 -8.456 20.701 1.00 12.66 ? 58 ARG A O 1 ATOM 444 C CB . ARG A 1 58 ? 2.734 -11.062 21.947 1.00 12.48 ? 58 ARG A CB 1 ATOM 445 C CG . ARG A 1 58 ? 2.069 -11.909 20.842 1.00 13.73 ? 58 ARG A CG 1 ATOM 446 C CD . ARG A 1 58 ? 3.080 -12.940 20.291 1.00 11.93 ? 58 ARG A CD 1 ATOM 447 N NE . ARG A 1 58 ? 2.548 -13.899 19.311 1.00 13.02 ? 58 ARG A NE 1 ATOM 448 C CZ . ARG A 1 58 ? 2.000 -15.075 19.623 1.00 16.48 ? 58 ARG A CZ 1 ATOM 449 N NH1 . ARG A 1 58 ? 1.851 -15.441 20.891 1.00 14.06 ? 58 ARG A NH1 1 ATOM 450 N NH2 . ARG A 1 58 ? 1.608 -15.897 18.665 1.00 11.55 ? 58 ARG A NH2 1 ATOM 451 N N . LEU A 1 59 ? 4.428 -9.079 19.435 1.00 11.84 ? 59 LEU A N 1 ATOM 452 C CA . LEU A 1 59 ? 4.239 -8.013 18.459 1.00 12.80 ? 59 LEU A CA 1 ATOM 453 C C . LEU A 1 59 ? 3.071 -8.316 17.526 1.00 14.40 ? 59 LEU A C 1 ATOM 454 O O . LEU A 1 59 ? 2.349 -7.404 17.108 1.00 13.58 ? 59 LEU A O 1 ATOM 455 C CB . LEU A 1 59 ? 5.530 -7.807 17.662 1.00 13.04 ? 59 LEU A CB 1 ATOM 456 C CG . LEU A 1 59 ? 5.528 -6.658 16.640 1.00 13.55 ? 59 LEU A CG 1 ATOM 457 C CD1 . LEU A 1 59 ? 5.165 -5.333 17.305 1.00 15.15 ? 59 LEU A CD1 1 ATOM 458 C CD2 . LEU A 1 59 ? 6.873 -6.571 15.933 1.00 15.11 ? 59 LEU A CD2 1 ATOM 459 N N . TRP A 1 60 ? 2.869 -9.583 17.182 1.00 12.45 ? 60 TRP A N 1 ATOM 460 C CA . TRP A 1 60 ? 1.704 -9.949 16.390 1.00 12.73 ? 60 TRP A CA 1 ATOM 461 C C . TRP A 1 60 ? 1.447 -11.436 16.567 1.00 13.59 ? 60 TRP A C 1 ATOM 462 O O . TRP A 1 60 ? 2.314 -12.183 17.027 1.00 14.25 ? 60 TRP A O 1 ATOM 463 C CB . TRP A 1 60 ? 1.878 -9.565 14.906 1.00 12.17 ? 60 TRP A CB 1 ATOM 464 C CG . TRP A 1 60 ? 3.052 -10.185 14.170 1.00 14.68 ? 60 TRP A CG 1 ATOM 465 C CD1 . TRP A 1 60 ? 4.371 -9.837 14.272 1.00 13.90 ? 60 TRP A CD1 1 ATOM 466 C CD2 . TRP A 1 60 ? 2.989 -11.221 13.182 1.00 13.55 ? 60 TRP A CD2 1 ATOM 467 N NE1 . TRP A 1 60 ? 5.132 -10.612 13.428 1.00 14.05 ? 60 TRP A NE1 1 ATOM 468 C CE2 . TRP A 1 60 ? 4.308 -11.465 12.744 1.00 14.90 ? 60 TRP A CE2 1 ATOM 469 C CE3 . TRP A 1 60 ? 1.946 -11.969 12.628 1.00 16.37 ? 60 TRP A CE3 1 ATOM 470 C CZ2 . TRP A 1 60 ? 4.611 -12.437 11.785 1.00 17.03 ? 60 TRP A CZ2 1 ATOM 471 C CZ3 . TRP A 1 60 ? 2.248 -12.930 11.668 1.00 17.84 ? 60 TRP A CZ3 1 ATOM 472 C CH2 . TRP A 1 60 ? 3.568 -13.158 11.262 1.00 16.67 ? 60 TRP A CH2 1 ATOM 473 N N . GLU A 1 61 ? 0.233 -11.857 16.223 1.00 12.63 ? 61 GLU A N 1 ATOM 474 C CA . GLU A 1 61 ? -0.166 -13.256 16.361 1.00 12.10 ? 61 GLU A CA 1 ATOM 475 C C . GLU A 1 61 ? -0.733 -13.736 15.034 1.00 13.96 ? 61 GLU A C 1 ATOM 476 O O . GLU A 1 61 ? -1.805 -13.287 14.612 1.00 16.24 ? 61 GLU A O 1 ATOM 477 C CB . GLU A 1 61 ? -1.183 -13.455 17.479 1.00 13.79 ? 61 GLU A CB 1 ATOM 478 C CG . GLU A 1 61 ? -1.555 -14.924 17.675 1.00 13.51 ? 61 GLU A CG 1 ATOM 479 C CD . GLU A 1 61 ? -2.334 -15.144 18.952 1.00 21.61 ? 61 GLU A CD 1 ATOM 480 O OE1 . GLU A 1 61 ? -3.394 -14.501 19.119 1.00 19.19 ? 61 GLU A OE1 1 ATOM 481 O OE2 . GLU A 1 61 ? -1.872 -15.940 19.792 1.00 19.81 ? 61 GLU A OE2 1 ATOM 482 N N . LYS A 1 62 ? -0.020 -14.669 14.402 1.00 12.30 ? 62 LYS A N 1 ATOM 483 C CA . LYS A 1 62 ? -0.364 -15.092 13.049 1.00 14.05 ? 62 LYS A CA 1 ATOM 484 C C . LYS A 1 62 ? -1.703 -15.814 13.013 1.00 19.21 ? 62 LYS A C 1 ATOM 485 O O . LYS A 1 62 ? -2.492 -15.617 12.084 1.00 17.99 ? 62 LYS A O 1 ATOM 486 C CB . LYS A 1 62 ? 0.748 -15.988 12.501 1.00 14.99 ? 62 LYS A CB 1 ATOM 487 C CG . LYS A 1 62 ? 0.706 -16.263 10.994 1.00 17.09 ? 62 LYS A CG 1 ATOM 488 C CD . LYS A 1 62 ? 1.966 -17.022 10.569 1.00 19.48 ? 62 LYS A CD 1 ATOM 489 C CE . LYS A 1 62 ? 2.179 -16.976 9.070 1.00 19.77 ? 62 LYS A CE 1 ATOM 490 N NZ . LYS A 1 62 ? 3.530 -17.501 8.723 1.00 21.17 ? 62 LYS A NZ 1 ATOM 491 N N . SER A 1 63 ? -1.987 -16.658 14.008 1.00 18.26 ? 63 SER A N 1 ATOM 492 C CA . SER A 1 63 ? -3.188 -17.472 13.885 1.00 19.39 ? 63 SER A CA 1 ATOM 493 C C . SER A 1 63 ? -4.468 -16.691 14.167 1.00 23.11 ? 63 SER A C 1 ATOM 494 O O . SER A 1 63 ? -5.550 -17.174 13.823 1.00 22.51 ? 63 SER A O 1 ATOM 495 C CB . SER A 1 63 ? -3.089 -18.713 14.787 1.00 20.94 ? 63 SER A CB 1 ATOM 496 O OG . SER A 1 63 ? -2.774 -18.364 16.110 1.00 35.97 ? 63 SER A OG 1 ATOM 497 N N . THR A 1 64 ? -4.378 -15.483 14.733 1.00 18.05 ? 64 THR A N 1 ATOM 498 C CA . THR A 1 64 ? -5.561 -14.666 14.985 1.00 19.47 ? 64 THR A CA 1 ATOM 499 C C . THR A 1 64 ? -5.564 -13.349 14.225 1.00 21.23 ? 64 THR A C 1 ATOM 500 O O . THR A 1 64 ? -6.512 -12.573 14.380 1.00 21.39 ? 64 THR A O 1 ATOM 501 C CB . THR A 1 64 ? -5.695 -14.359 16.484 1.00 22.00 ? 64 THR A CB 1 ATOM 502 O OG1 . THR A 1 64 ? -4.516 -13.670 16.937 1.00 20.26 ? 64 THR A OG1 1 ATOM 503 C CG2 . THR A 1 64 ? -5.886 -15.642 17.281 1.00 20.27 ? 64 THR A CG2 1 ATOM 504 N N . ASN A 1 65 ? -4.528 -13.070 13.427 1.00 18.94 ? 65 ASN A N 1 ATOM 505 C CA . ASN A 1 65 ? -4.344 -11.780 12.751 1.00 18.25 ? 65 ASN A CA 1 ATOM 506 C C . ASN A 1 65 ? -4.393 -10.600 13.719 1.00 20.71 ? 65 ASN A C 1 ATOM 507 O O . ASN A 1 65 ? -4.847 -9.508 13.368 1.00 24.82 ? 65 ASN A O 1 ATOM 508 C CB . ASN A 1 65 ? -5.365 -11.586 11.629 1.00 22.17 ? 65 ASN A CB 1 ATOM 509 C CG . ASN A 1 65 ? -5.079 -12.465 10.442 1.00 27.71 ? 65 ASN A CG 1 ATOM 510 O OD1 . ASN A 1 65 ? -3.941 -12.536 9.974 1.00 32.75 ? 65 ASN A OD1 1 ATOM 511 N ND2 . ASN A 1 65 ? -6.106 -13.155 9.953 1.00 34.50 ? 65 ASN A ND2 1 ATOM 512 N N . ARG A 1 66 ? -3.912 -10.785 14.941 1.00 15.61 ? 66 ARG A N 1 ATOM 513 C CA . ARG A 1 66 ? -3.775 -9.657 15.852 1.00 15.81 ? 66 ARG A CA 1 ATOM 514 C C . ARG A 1 66 ? -2.410 -9.005 15.681 1.00 16.21 ? 66 ARG A C 1 ATOM 515 O O . ARG A 1 66 ? -1.414 -9.682 15.418 1.00 15.48 ? 66 ARG A O 1 ATOM 516 C CB . ARG A 1 66 ? -3.973 -10.106 17.297 1.00 15.62 ? 66 ARG A CB 1 ATOM 517 C CG . ARG A 1 66 ? -5.396 -10.567 17.562 1.00 19.38 ? 66 ARG A CG 1 ATOM 518 C CD . ARG A 1 66 ? -5.750 -10.275 18.997 1.00 29.14 ? 66 ARG A CD 1 ATOM 519 N NE . ARG A 1 66 ? -5.298 -11.349 19.850 1.00 27.75 ? 66 ARG A NE 1 ATOM 520 C CZ . ARG A 1 66 ? -5.110 -11.245 21.160 1.00 23.72 ? 66 ARG A CZ 1 ATOM 521 N NH1 . ARG A 1 66 ? -5.290 -10.093 21.793 1.00 23.90 ? 66 ARG A NH1 1 ATOM 522 N NH2 . ARG A 1 66 ? -4.704 -12.304 21.826 1.00 22.08 ? 66 ARG A NH2 1 ATOM 523 N N . VAL A 1 67 ? -2.372 -7.679 15.814 1.00 15.39 ? 67 VAL A N 1 ATOM 524 C CA . VAL A 1 67 ? -1.137 -6.910 15.722 1.00 15.46 ? 67 VAL A CA 1 ATOM 525 C C . VAL A 1 67 ? -1.096 -5.951 16.902 1.00 15.21 ? 67 VAL A C 1 ATOM 526 O O . VAL A 1 67 ? -2.123 -5.387 17.291 1.00 17.39 ? 67 VAL A O 1 ATOM 527 C CB . VAL A 1 67 ? -1.029 -6.147 14.383 1.00 18.93 ? 67 VAL A CB 1 ATOM 528 C CG1 . VAL A 1 67 ? 0.319 -5.450 14.274 1.00 17.52 ? 67 VAL A CG1 1 ATOM 529 C CG2 . VAL A 1 67 ? -1.231 -7.097 13.203 1.00 22.21 ? 67 VAL A CG2 1 ATOM 530 N N . ALA A 1 68 ? 0.083 -5.777 17.482 1.00 15.96 ? 68 ALA A N 1 ATOM 531 C CA . ALA A 1 68 ? 0.221 -4.928 18.657 1.00 14.83 ? 68 ALA A CA 1 ATOM 532 C C . ALA A 1 68 ? 0.464 -3.474 18.269 1.00 16.38 ? 68 ALA A C 1 ATOM 533 O O . ALA A 1 68 ? 1.090 -3.171 17.249 1.00 16.26 ? 68 ALA A O 1 ATOM 534 C CB . ALA A 1 68 ? 1.375 -5.412 19.545 1.00 13.82 ? 68 ALA A CB 1 ATOM 535 N N . ASN A 1 69 ? -0.032 -2.569 19.101 1.00 14.35 ? 69 ASN A N 1 ATOM 536 C CA . ASN A 1 69 ? 0.519 -1.229 19.091 1.00 17.25 ? 69 ASN A CA 1 ATOM 537 C C . ASN A 1 69 ? 1.724 -1.202 20.024 1.00 17.64 ? 69 ASN A C 1 ATOM 538 O O . ASN A 1 69 ? 1.979 -2.153 20.771 1.00 17.23 ? 69 ASN A O 1 ATOM 539 C CB . ASN A 1 69 ? -0.537 -0.189 19.496 1.00 19.20 ? 69 ASN A CB 1 ATOM 540 C CG . ASN A 1 69 ? -0.967 -0.295 20.961 1.00 21.83 ? 69 ASN A CG 1 ATOM 541 O OD1 . ASN A 1 69 ? -0.192 -0.675 21.843 1.00 17.24 ? 69 ASN A OD1 1 ATOM 542 N ND2 . ASN A 1 69 ? -2.217 0.066 21.222 1.00 23.67 ? 69 ASN A ND2 1 ATOM 543 N N . PHE A 1 70 ? 2.487 -0.112 19.969 1.00 15.16 ? 70 PHE A N 1 ATOM 544 C CA . PHE A 1 70 ? 3.421 0.122 21.058 1.00 15.49 ? 70 PHE A CA 1 ATOM 545 C C . PHE A 1 70 ? 3.773 1.596 21.107 1.00 16.87 ? 70 PHE A C 1 ATOM 546 O O . PHE A 1 70 ? 3.545 2.353 20.159 1.00 15.16 ? 70 PHE A O 1 ATOM 547 C CB . PHE A 1 70 ? 4.687 -0.756 20.966 1.00 13.92 ? 70 PHE A CB 1 ATOM 548 C CG . PHE A 1 70 ? 5.522 -0.550 19.726 1.00 16.66 ? 70 PHE A CG 1 ATOM 549 C CD1 . PHE A 1 70 ? 6.428 0.495 19.642 1.00 17.85 ? 70 PHE A CD1 1 ATOM 550 C CD2 . PHE A 1 70 ? 5.455 -1.456 18.676 1.00 19.06 ? 70 PHE A CD2 1 ATOM 551 C CE1 . PHE A 1 70 ? 7.216 0.665 18.514 1.00 17.99 ? 70 PHE A CE1 1 ATOM 552 C CE2 . PHE A 1 70 ? 6.240 -1.299 17.545 1.00 19.28 ? 70 PHE A CE2 1 ATOM 553 C CZ . PHE A 1 70 ? 7.120 -0.230 17.463 1.00 15.53 ? 70 PHE A CZ 1 ATOM 554 N N . GLN A 1 71 ? 4.331 1.985 22.242 1.00 14.29 ? 71 GLN A N 1 ATOM 555 C CA . GLN A 1 71 ? 4.735 3.355 22.486 1.00 14.75 ? 71 GLN A CA 1 ATOM 556 C C . GLN A 1 71 ? 5.975 3.289 23.358 1.00 17.67 ? 71 GLN A C 1 ATOM 557 O O . GLN A 1 71 ? 5.965 2.603 24.385 1.00 16.74 ? 71 GLN A O 1 ATOM 558 C CB . GLN A 1 71 ? 3.601 4.120 23.168 1.00 15.02 ? 71 GLN A CB 1 ATOM 559 C CG . GLN A 1 71 ? 3.723 5.612 23.161 1.00 28.19 ? 71 GLN A CG 1 ATOM 560 C CD . GLN A 1 71 ? 2.453 6.275 23.678 1.00 26.96 ? 71 GLN A CD 1 ATOM 561 O OE1 . GLN A 1 71 ? 1.346 5.820 23.393 1.00 48.43 ? 71 GLN A OE1 1 ATOM 562 N NE2 . GLN A 1 71 ? 2.610 7.333 24.454 1.00 38.39 ? 71 GLN A NE2 1 ATOM 563 N N . SER A 1 72 ? 7.043 3.959 22.932 1.00 14.66 ? 72 SER A N 1 ATOM 564 C CA . SER A 1 72 ? 8.305 3.964 23.664 1.00 14.03 ? 72 SER A CA 1 ATOM 565 C C . SER A 1 72 ? 8.763 5.403 23.848 1.00 14.66 ? 72 SER A C 1 ATOM 566 O O . SER A 1 72 ? 8.993 6.113 22.863 1.00 15.98 ? 72 SER A O 1 ATOM 567 C CB . SER A 1 72 ? 9.369 3.152 22.920 1.00 15.88 ? 72 SER A CB 1 ATOM 568 O OG . SER A 1 72 ? 10.609 3.189 23.605 1.00 16.51 ? 72 SER A OG 1 ATOM 569 N N . GLN A 1 73 ? 8.892 5.831 25.101 1.00 13.14 ? 73 GLN A N 1 ATOM 570 C CA . GLN A 1 73 ? 9.324 7.179 25.441 1.00 14.09 ? 73 GLN A CA 1 ATOM 571 C C . GLN A 1 73 ? 10.669 7.083 26.149 1.00 15.18 ? 73 GLN A C 1 ATOM 572 O O . GLN A 1 73 ? 10.831 6.262 27.056 1.00 14.21 ? 73 GLN A O 1 ATOM 573 C CB . GLN A 1 73 ? 8.280 7.869 26.337 1.00 17.89 ? 73 GLN A CB 1 ATOM 574 C CG . GLN A 1 73 ? 8.287 9.393 26.284 1.00 25.28 ? 73 GLN A CG 1 ATOM 575 C CD . GLN A 1 73 ? 9.495 9.984 26.953 1.00 34.01 ? 73 GLN A CD 1 ATOM 576 O OE1 . GLN A 1 73 ? 9.939 9.487 27.993 1.00 38.62 ? 73 GLN A OE1 1 ATOM 577 N NE2 . GLN A 1 73 ? 10.050 11.047 26.361 1.00 31.76 ? 73 GLN A NE2 1 ATOM 578 N N . PHE A 1 74 ? 11.636 7.903 25.743 1.00 12.09 ? 74 PHE A N 1 ATOM 579 C CA . PHE A 1 74 ? 12.951 7.818 26.371 1.00 12.90 ? 74 PHE A CA 1 ATOM 580 C C . PHE A 1 74 ? 13.687 9.143 26.219 1.00 14.33 ? 74 PHE A C 1 ATOM 581 O O . PHE A 1 74 ? 13.283 10.019 25.453 1.00 13.92 ? 74 PHE A O 1 ATOM 582 C CB . PHE A 1 74 ? 13.767 6.641 25.797 1.00 10.58 ? 74 PHE A CB 1 ATOM 583 C CG . PHE A 1 74 ? 13.941 6.664 24.292 1.00 13.91 ? 74 PHE A CG 1 ATOM 584 C CD1 . PHE A 1 74 ? 13.013 6.049 23.458 1.00 11.69 ? 74 PHE A CD1 1 ATOM 585 C CD2 . PHE A 1 74 ? 15.059 7.260 23.715 1.00 13.84 ? 74 PHE A CD2 1 ATOM 586 C CE1 . PHE A 1 74 ? 13.179 6.048 22.078 1.00 14.45 ? 74 PHE A CE1 1 ATOM 587 C CE2 . PHE A 1 74 ? 15.238 7.256 22.335 1.00 13.31 ? 74 PHE A CE2 1 ATOM 588 C CZ . PHE A 1 74 ? 14.304 6.649 21.516 1.00 11.80 ? 74 PHE A CZ 1 ATOM 589 N N . SER A 1 75 ? 14.777 9.281 26.974 1.00 12.91 ? 75 SER A N 1 ATOM 590 C CA . SER A 1 75 ? 15.619 10.464 26.886 1.00 13.75 ? 75 SER A CA 1 ATOM 591 C C . SER A 1 75 ? 17.078 10.047 26.972 1.00 14.00 ? 75 SER A C 1 ATOM 592 O O . SER A 1 75 ? 17.424 9.113 27.703 1.00 11.95 ? 75 SER A O 1 ATOM 593 C CB . SER A 1 75 ? 15.274 11.486 27.986 1.00 18.30 ? 75 SER A CB 1 ATOM 594 O OG . SER A 1 75 ? 15.518 10.953 29.270 1.00 24.79 ? 75 SER A OG 1 ATOM 595 N N . PHE A 1 76 ? 17.931 10.734 26.214 1.00 12.31 ? 76 PHE A N 1 ATOM 596 C CA . PHE A 1 76 ? 19.345 10.392 26.181 1.00 10.36 ? 76 PHE A CA 1 ATOM 597 C C . PHE A 1 76 ? 20.170 11.649 25.944 1.00 12.36 ? 76 PHE A C 1 ATOM 598 O O . PHE A 1 76 ? 19.654 12.692 25.523 1.00 13.94 ? 76 PHE A O 1 ATOM 599 C CB . PHE A 1 76 ? 19.652 9.338 25.095 1.00 12.22 ? 76 PHE A CB 1 ATOM 600 C CG . PHE A 1 76 ? 19.590 9.876 23.674 1.00 11.65 ? 76 PHE A CG 1 ATOM 601 C CD1 . PHE A 1 76 ? 20.703 10.468 23.083 1.00 10.28 ? 76 PHE A CD1 1 ATOM 602 C CD2 . PHE A 1 76 ? 18.417 9.782 22.937 1.00 10.17 ? 76 PHE A CD2 1 ATOM 603 C CE1 . PHE A 1 76 ? 20.647 10.963 21.786 1.00 10.68 ? 76 PHE A CE1 1 ATOM 604 C CE2 . PHE A 1 76 ? 18.352 10.264 21.639 1.00 10.47 ? 76 PHE A CE2 1 ATOM 605 C CZ . PHE A 1 76 ? 19.472 10.859 21.059 1.00 11.16 ? 76 PHE A CZ 1 ATOM 606 N N . PHE A 1 77 ? 21.470 11.538 26.213 1.00 13.94 ? 77 PHE A N 1 ATOM 607 C CA . PHE A 1 77 ? 22.413 12.591 25.854 1.00 11.79 ? 77 PHE A CA 1 ATOM 608 C C . PHE A 1 77 ? 23.733 11.936 25.473 1.00 12.60 ? 77 PHE A C 1 ATOM 609 O O . PHE A 1 77 ? 24.021 10.808 25.887 1.00 12.79 ? 77 PHE A O 1 ATOM 610 C CB . PHE A 1 77 ? 22.604 13.603 26.997 1.00 10.39 ? 77 PHE A CB 1 ATOM 611 C CG . PHE A 1 77 ? 23.272 13.026 28.220 1.00 14.94 ? 77 PHE A CG 1 ATOM 612 C CD1 . PHE A 1 77 ? 22.519 12.425 29.221 1.00 14.90 ? 77 PHE A CD1 1 ATOM 613 C CD2 . PHE A 1 77 ? 24.654 13.088 28.372 1.00 16.19 ? 77 PHE A CD2 1 ATOM 614 C CE1 . PHE A 1 77 ? 23.130 11.889 30.339 1.00 15.30 ? 77 PHE A CE1 1 ATOM 615 C CE2 . PHE A 1 77 ? 25.267 12.561 29.491 1.00 19.36 ? 77 PHE A CE2 1 ATOM 616 C CZ . PHE A 1 77 ? 24.502 11.956 30.478 1.00 15.82 ? 77 PHE A CZ 1 ATOM 617 N N . LEU A 1 78 ? 24.518 12.645 24.659 1.00 11.21 ? 78 LEU A N 1 ATOM 618 C CA . LEU A 1 78 ? 25.795 12.169 24.142 1.00 14.60 ? 78 LEU A CA 1 ATOM 619 C C . LEU A 1 78 ? 26.888 13.164 24.499 1.00 12.59 ? 78 LEU A C 1 ATOM 620 O O . LEU A 1 78 ? 26.662 14.380 24.474 1.00 14.11 ? 78 LEU A O 1 ATOM 621 C CB . LEU A 1 78 ? 25.747 12.002 22.613 1.00 13.38 ? 78 LEU A CB 1 ATOM 622 C CG . LEU A 1 78 ? 24.495 11.322 22.058 1.00 9.19 ? 78 LEU A CG 1 ATOM 623 C CD1 . LEU A 1 78 ? 24.487 11.343 20.522 1.00 10.75 ? 78 LEU A CD1 1 ATOM 624 C CD2 . LEU A 1 78 ? 24.401 9.878 22.587 1.00 9.89 ? 78 LEU A CD2 1 ATOM 625 N N . GLU A 1 79 ? 28.081 12.656 24.807 1.00 14.69 ? 79 GLU A N 1 ATOM 626 C CA . GLU A 1 79 ? 29.212 13.525 25.118 1.00 16.07 ? 79 GLU A CA 1 ATOM 627 C C . GLU A 1 79 ? 30.474 13.013 24.443 1.00 15.18 ? 79 GLU A C 1 ATOM 628 O O . GLU A 1 79 ? 30.687 11.802 24.348 1.00 14.72 ? 79 GLU A O 1 ATOM 629 C CB . GLU A 1 79 ? 29.461 13.626 26.628 1.00 15.69 ? 79 GLU A CB 1 ATOM 630 C CG . GLU A 1 79 ? 28.258 14.129 27.417 1.00 15.42 ? 79 GLU A CG 1 ATOM 631 C CD . GLU A 1 79 ? 28.613 14.461 28.848 1.00 18.62 ? 79 GLU A CD 1 ATOM 632 O OE1 . GLU A 1 79 ? 28.921 13.531 29.612 1.00 19.37 ? 79 GLU A OE1 1 ATOM 633 O OE2 . GLU A 1 79 ? 28.601 15.657 29.200 1.00 27.33 ? 79 GLU A OE2 1 ATOM 634 N N . SER A 1 80 ? 31.320 13.948 23.986 1.00 14.04 ? 80 SER A N 1 ATOM 635 C CA . SER A 1 80 ? 32.614 13.580 23.427 1.00 14.04 ? 80 SER A CA 1 ATOM 636 C C . SER A 1 80 ? 33.570 14.748 23.559 1.00 13.33 ? 80 SER A C 1 ATOM 637 O O . SER A 1 80 ? 33.153 15.896 23.357 1.00 15.08 ? 80 SER A O 1 ATOM 638 C CB . SER A 1 80 ? 32.508 13.179 21.954 1.00 15.77 ? 80 SER A CB 1 ATOM 639 O OG . SER A 1 80 ? 33.802 12.949 21.408 1.00 15.17 ? 80 SER A OG 1 ATOM 640 N N . PRO A 1 81 ? 34.849 14.503 23.856 1.00 16.21 ? 81 PRO A N 1 ATOM 641 C CA . PRO A 1 81 ? 35.816 15.607 23.907 1.00 15.55 ? 81 PRO A CA 1 ATOM 642 C C . PRO A 1 81 ? 36.299 16.060 22.541 1.00 19.73 ? 81 PRO A C 1 ATOM 643 O O . PRO A 1 81 ? 37.039 17.049 22.464 1.00 18.86 ? 81 PRO A O 1 ATOM 644 C CB . PRO A 1 81 ? 36.966 15.015 24.724 1.00 19.84 ? 81 PRO A CB 1 ATOM 645 C CG . PRO A 1 81 ? 36.927 13.539 24.368 1.00 18.20 ? 81 PRO A CG 1 ATOM 646 C CD . PRO A 1 81 ? 35.454 13.208 24.234 1.00 16.05 ? 81 PRO A CD 1 ATOM 647 N N . LEU A 1 82 ? 35.914 15.387 21.462 1.00 16.74 ? 82 LEU A N 1 ATOM 648 C CA . LEU A 1 82 ? 36.460 15.717 20.156 1.00 18.52 ? 82 LEU A CA 1 ATOM 649 C C . LEU A 1 82 ? 35.350 16.057 19.170 1.00 17.35 ? 82 LEU A C 1 ATOM 650 O O . LEU A 1 82 ? 34.160 15.869 19.436 1.00 15.37 ? 82 LEU A O 1 ATOM 651 C CB . LEU A 1 82 ? 37.320 14.567 19.620 1.00 23.10 ? 82 LEU A CB 1 ATOM 652 C CG . LEU A 1 82 ? 38.565 14.254 20.462 1.00 22.15 ? 82 LEU A CG 1 ATOM 653 C CD1 . LEU A 1 82 ? 39.338 13.100 19.841 1.00 24.62 ? 82 LEU A CD1 1 ATOM 654 C CD2 . LEU A 1 82 ? 39.466 15.500 20.624 1.00 24.14 ? 82 LEU A CD2 1 ATOM 655 N N . SER A 1 83 ? 35.773 16.569 18.018 1.00 15.18 ? 83 SER A N 1 ATOM 656 C CA . SER A 1 83 ? 34.882 16.856 16.905 1.00 14.22 ? 83 SER A CA 1 ATOM 657 C C . SER A 1 83 ? 34.401 15.568 16.243 1.00 16.98 ? 83 SER A C 1 ATOM 658 O O . SER A 1 83 ? 34.987 14.496 16.412 1.00 18.07 ? 83 SER A O 1 ATOM 659 C CB . SER A 1 83 ? 35.599 17.714 15.862 1.00 13.18 ? 83 SER A CB 1 ATOM 660 O OG . SER A 1 83 ? 35.998 18.952 16.416 1.00 15.73 ? 83 SER A OG 1 ATOM 661 N N . ASN A 1 84 ? 33.338 15.703 15.455 1.00 14.07 ? 84 ASN A N 1 ATOM 662 C CA . ASN A 1 84 ? 32.779 14.616 14.658 1.00 17.12 ? 84 ASN A CA 1 ATOM 663 C C . ASN A 1 84 ? 32.574 13.345 15.494 1.00 15.82 ? 84 ASN A C 1 ATOM 664 O O . ASN A 1 84 ? 33.126 12.288 15.176 1.00 15.01 ? 84 ASN A O 1 ATOM 665 C CB . ASN A 1 84 ? 33.668 14.343 13.452 1.00 17.36 ? 84 ASN A CB 1 ATOM 666 C CG . ASN A 1 84 ? 32.935 13.653 12.311 1.00 20.90 ? 84 ASN A CG 1 ATOM 667 O OD1 . ASN A 1 84 ? 31.695 13.610 12.266 1.00 19.44 ? 84 ASN A OD1 1 ATOM 668 N ND2 . ASN A 1 84 ? 33.711 13.107 11.367 1.00 18.77 ? 84 ASN A ND2 1 ATOM 669 N N . PRO A 1 85 ? 31.796 13.425 16.577 1.00 13.62 ? 85 PRO A N 1 ATOM 670 C CA . PRO A 1 85 ? 31.600 12.250 17.439 1.00 13.03 ? 85 PRO A CA 1 ATOM 671 C C . PRO A 1 85 ? 30.738 11.186 16.775 1.00 14.13 ? 85 PRO A C 1 ATOM 672 O O . PRO A 1 85 ? 29.893 11.474 15.923 1.00 12.00 ? 85 PRO A O 1 ATOM 673 C CB . PRO A 1 85 ? 30.897 12.835 18.670 1.00 13.17 ? 85 PRO A CB 1 ATOM 674 C CG . PRO A 1 85 ? 30.144 14.016 18.127 1.00 14.25 ? 85 PRO A CG 1 ATOM 675 C CD . PRO A 1 85 ? 31.054 14.600 17.074 1.00 16.33 ? 85 PRO A CD 1 ATOM 676 N N . ALA A 1 86 ? 30.934 9.942 17.214 1.00 11.99 ? 86 ALA A N 1 ATOM 677 C CA . ALA A 1 86 ? 30.371 8.775 16.529 1.00 12.45 ? 86 ALA A CA 1 ATOM 678 C C . ALA A 1 86 ? 30.113 7.640 17.525 1.00 11.94 ? 86 ALA A C 1 ATOM 679 O O . ALA A 1 86 ? 30.761 7.585 18.566 1.00 11.56 ? 86 ALA A O 1 ATOM 680 C CB . ALA A 1 86 ? 31.328 8.311 15.417 1.00 11.73 ? 86 ALA A CB 1 ATOM 681 N N . ASP A 1 87 ? 29.192 6.726 17.217 1.00 8.66 ? 87 ASP A N 1 ATOM 682 C CA . ASP A 1 87 ? 28.469 6.682 15.945 1.00 10.48 ? 87 ASP A CA 1 ATOM 683 C C . ASP A 1 87 ? 26.985 6.970 16.077 1.00 13.12 ? 87 ASP A C 1 ATOM 684 O O . ASP A 1 87 ? 26.330 7.357 15.103 1.00 13.48 ? 87 ASP A O 1 ATOM 685 C CB . ASP A 1 87 ? 28.665 5.317 15.282 1.00 10.73 ? 87 ASP A CB 1 ATOM 686 C CG . ASP A 1 87 ? 29.924 5.277 14.434 1.00 14.48 ? 87 ASP A CG 1 ATOM 687 O OD1 . ASP A 1 87 ? 29.846 5.660 13.247 1.00 12.37 ? 87 ASP A OD1 1 ATOM 688 O OD2 . ASP A 1 87 ? 30.989 4.909 14.966 1.00 11.50 ? 87 ASP A OD2 1 ATOM 689 N N . GLY A 1 88 ? 26.443 6.780 17.273 1.00 12.50 ? 88 GLY A N 1 ATOM 690 C CA . GLY A 1 88 ? 25.025 7.022 17.441 1.00 9.93 ? 88 GLY A CA 1 ATOM 691 C C . GLY A 1 88 ? 24.327 5.998 18.307 1.00 12.55 ? 88 GLY A C 1 ATOM 692 O O . GLY A 1 88 ? 24.906 4.961 18.651 1.00 10.14 ? 88 GLY A O 1 ATOM 693 N N . ILE A 1 89 ? 23.071 6.287 18.654 1.00 10.90 ? 89 ILE A N 1 ATOM 694 C CA . ILE A 1 89 ? 22.265 5.450 19.533 1.00 9.95 ? 89 ILE A CA 1 ATOM 695 C C . ILE A 1 89 ? 20.953 5.179 18.817 1.00 11.38 ? 89 ILE A C 1 ATOM 696 O O . ILE A 1 89 ? 20.470 6.006 18.036 1.00 10.34 ? 89 ILE A O 1 ATOM 697 C CB . ILE A 1 89 ? 22.040 6.130 20.912 1.00 10.33 ? 89 ILE A CB 1 ATOM 698 C CG1 . ILE A 1 89 ? 21.224 5.247 21.862 1.00 11.92 ? 89 ILE A CG1 1 ATOM 699 C CG2 . ILE A 1 89 ? 21.355 7.480 20.751 1.00 10.06 ? 89 ILE A CG2 1 ATOM 700 C CD1 . ILE A 1 89 ? 21.104 5.853 23.272 1.00 13.81 ? 89 ILE A CD1 1 ATOM 701 N N . ALA A 1 90 ? 20.393 3.995 19.048 1.00 10.41 ? 90 ALA A N 1 ATOM 702 C CA . ALA A 1 90 ? 19.153 3.613 18.394 1.00 10.82 ? 90 ALA A CA 1 ATOM 703 C C . ALA A 1 90 ? 18.246 2.882 19.369 1.00 12.26 ? 90 ALA A C 1 ATOM 704 O O . ALA A 1 90 ? 18.707 2.056 20.160 1.00 12.06 ? 90 ALA A O 1 ATOM 705 C CB . ALA A 1 90 ? 19.412 2.713 17.178 1.00 11.71 ? 90 ALA A CB 1 ATOM 706 N N . PHE A 1 91 ? 16.956 3.193 19.305 1.00 9.99 ? 91 PHE A N 1 ATOM 707 C CA . PHE A 1 91 ? 15.939 2.309 19.854 1.00 10.90 ? 91 PHE A CA 1 ATOM 708 C C . PHE A 1 91 ? 15.670 1.218 18.830 1.00 10.73 ? 91 PHE A C 1 ATOM 709 O O . PHE A 1 91 ? 15.547 1.508 17.637 1.00 12.56 ? 91 PHE A O 1 ATOM 710 C CB . PHE A 1 91 ? 14.659 3.095 20.158 1.00 9.99 ? 91 PHE A CB 1 ATOM 711 C CG . PHE A 1 91 ? 13.484 2.228 20.496 1.00 10.05 ? 91 PHE A CG 1 ATOM 712 C CD1 . PHE A 1 91 ? 13.408 1.596 21.729 1.00 11.99 ? 91 PHE A CD1 1 ATOM 713 C CD2 . PHE A 1 91 ? 12.452 2.051 19.586 1.00 13.35 ? 91 PHE A CD2 1 ATOM 714 C CE1 . PHE A 1 91 ? 12.317 0.788 22.046 1.00 13.33 ? 91 PHE A CE1 1 ATOM 715 C CE2 . PHE A 1 91 ? 11.359 1.253 19.892 1.00 13.82 ? 91 PHE A CE2 1 ATOM 716 C CZ . PHE A 1 91 ? 11.291 0.620 21.132 1.00 13.48 ? 91 PHE A CZ 1 ATOM 717 N N . PHE A 1 92 ? 15.594 -0.036 19.267 1.00 10.52 ? 92 PHE A N 1 ATOM 718 C CA . PHE A 1 92 ? 15.385 -1.088 18.284 1.00 12.87 ? 92 PHE A CA 1 ATOM 719 C C . PHE A 1 92 ? 14.509 -2.211 18.822 1.00 14.29 ? 92 PHE A C 1 ATOM 720 O O . PHE A 1 92 ? 14.292 -2.367 20.030 1.00 11.49 ? 92 PHE A O 1 ATOM 721 C CB . PHE A 1 92 ? 16.723 -1.650 17.744 1.00 11.59 ? 92 PHE A CB 1 ATOM 722 C CG . PHE A 1 92 ? 17.435 -2.630 18.661 1.00 10.32 ? 92 PHE A CG 1 ATOM 723 C CD1 . PHE A 1 92 ? 18.045 -2.203 19.832 1.00 11.47 ? 92 PHE A CD1 1 ATOM 724 C CD2 . PHE A 1 92 ? 17.570 -3.969 18.287 1.00 13.47 ? 92 PHE A CD2 1 ATOM 725 C CE1 . PHE A 1 92 ? 18.733 -3.100 20.652 1.00 11.14 ? 92 PHE A CE1 1 ATOM 726 C CE2 . PHE A 1 92 ? 18.261 -4.871 19.082 1.00 14.87 ? 92 PHE A CE2 1 ATOM 727 C CZ . PHE A 1 92 ? 18.844 -4.437 20.278 1.00 14.18 ? 92 PHE A CZ 1 ATOM 728 N N . ILE A 1 93 ? 13.983 -2.970 17.864 1.00 12.42 ? 93 ILE A N 1 ATOM 729 C CA . ILE A 1 93 ? 13.137 -4.134 18.085 1.00 13.60 ? 93 ILE A CA 1 ATOM 730 C C . ILE A 1 93 ? 13.688 -5.265 17.229 1.00 11.54 ? 93 ILE A C 1 ATOM 731 O O . ILE A 1 93 ? 13.943 -5.073 16.036 1.00 11.84 ? 93 ILE A O 1 ATOM 732 C CB . ILE A 1 93 ? 11.676 -3.841 17.707 1.00 11.34 ? 93 ILE A CB 1 ATOM 733 C CG1 . ILE A 1 93 ? 11.201 -2.575 18.420 1.00 12.14 ? 93 ILE A CG1 1 ATOM 734 C CG2 . ILE A 1 93 ? 10.797 -5.041 18.019 1.00 12.64 ? 93 ILE A CG2 1 ATOM 735 C CD1 . ILE A 1 93 ? 9.827 -2.148 18.029 1.00 17.78 ? 93 ILE A CD1 1 ATOM 736 N N . ALA A 1 94 ? 13.869 -6.431 17.828 1.00 12.61 ? 94 ALA A N 1 ATOM 737 C CA . ALA A 1 94 ? 14.538 -7.542 17.167 1.00 11.80 ? 94 ALA A CA 1 ATOM 738 C C . ALA A 1 94 ? 14.001 -8.825 17.781 1.00 13.01 ? 94 ALA A C 1 ATOM 739 O O . ALA A 1 94 ? 13.283 -8.781 18.785 1.00 15.20 ? 94 ALA A O 1 ATOM 740 C CB . ALA A 1 94 ? 16.064 -7.430 17.327 1.00 10.42 ? 94 ALA A CB 1 ATOM 741 N N . PRO A 1 95 ? 14.291 -9.983 17.184 1.00 12.36 ? 95 PRO A N 1 ATOM 742 C CA . PRO A 1 95 ? 13.842 -11.251 17.799 1.00 11.44 ? 95 PRO A CA 1 ATOM 743 C C . PRO A 1 95 ? 14.453 -11.412 19.178 1.00 10.78 ? 95 PRO A C 1 ATOM 744 O O . PRO A 1 95 ? 15.511 -10.832 19.464 1.00 10.95 ? 95 PRO A O 1 ATOM 745 C CB . PRO A 1 95 ? 14.353 -12.333 16.826 1.00 14.01 ? 95 PRO A CB 1 ATOM 746 C CG . PRO A 1 95 ? 14.588 -11.610 15.517 1.00 13.45 ? 95 PRO A CG 1 ATOM 747 C CD . PRO A 1 95 ? 15.021 -10.216 15.922 1.00 14.29 ? 95 PRO A CD 1 ATOM 748 N N . PRO A 1 96 ? 13.829 -12.192 20.068 1.00 12.84 ? 96 PRO A N 1 ATOM 749 C CA . PRO A 1 96 ? 14.341 -12.270 21.452 1.00 12.07 ? 96 PRO A CA 1 ATOM 750 C C . PRO A 1 96 ? 15.721 -12.902 21.575 1.00 12.32 ? 96 PRO A C 1 ATOM 751 O O . PRO A 1 96 ? 16.374 -12.713 22.610 1.00 12.76 ? 96 PRO A O 1 ATOM 752 C CB . PRO A 1 96 ? 13.274 -13.107 22.179 1.00 11.76 ? 96 PRO A CB 1 ATOM 753 C CG . PRO A 1 96 ? 11.997 -12.883 21.340 1.00 12.16 ? 96 PRO A CG 1 ATOM 754 C CD . PRO A 1 96 ? 12.525 -12.866 19.915 1.00 11.14 ? 96 PRO A CD 1 ATOM 755 N N . ASP A 1 97 ? 16.185 -13.643 20.567 1.00 11.11 ? 97 ASP A N 1 ATOM 756 C CA . ASP A 1 97 ? 17.507 -14.252 20.586 1.00 14.16 ? 97 ASP A CA 1 ATOM 757 C C . ASP A 1 97 ? 18.602 -13.314 20.088 1.00 14.99 ? 97 ASP A C 1 ATOM 758 O O . ASP A 1 97 ? 19.734 -13.762 19.884 1.00 13.64 ? 97 ASP A O 1 ATOM 759 C CB . ASP A 1 97 ? 17.514 -15.521 19.727 1.00 11.47 ? 97 ASP A CB 1 ATOM 760 C CG . ASP A 1 97 ? 17.253 -15.230 18.253 1.00 12.36 ? 97 ASP A CG 1 ATOM 761 O OD1 . ASP A 1 97 ? 16.917 -14.079 17.907 1.00 13.63 ? 97 ASP A OD1 1 ATOM 762 O OD2 . ASP A 1 97 ? 17.367 -16.159 17.429 1.00 14.24 ? 97 ASP A OD2 1 ATOM 763 N N . THR A 1 98 ? 18.286 -12.040 19.865 1.00 14.15 ? 98 THR A N 1 ATOM 764 C CA . THR A 1 98 ? 19.208 -11.166 19.154 1.00 13.52 ? 98 THR A CA 1 ATOM 765 C C . THR A 1 98 ? 20.512 -10.988 19.932 1.00 13.07 ? 98 THR A C 1 ATOM 766 O O . THR A 1 98 ? 20.533 -10.956 21.167 1.00 14.45 ? 98 THR A O 1 ATOM 767 C CB . THR A 1 98 ? 18.547 -9.808 18.876 1.00 13.78 ? 98 THR A CB 1 ATOM 768 O OG1 . THR A 1 98 ? 19.427 -9.007 18.069 1.00 14.38 ? 98 THR A OG1 1 ATOM 769 C CG2 . THR A 1 98 ? 18.228 -9.069 20.175 1.00 12.16 ? 98 THR A CG2 1 ATOM 770 N N . ALA A 1 99 ? 21.613 -10.906 19.192 1.00 13.23 ? 99 ALA A N 1 ATOM 771 C CA . ALA A 1 99 ? 22.930 -10.675 19.763 1.00 13.09 ? 99 ALA A CA 1 ATOM 772 C C . ALA A 1 99 ? 23.670 -9.685 18.873 1.00 14.47 ? 99 ALA A C 1 ATOM 773 O O . ALA A 1 99 ? 23.325 -9.492 17.704 1.00 14.26 ? 99 ALA A O 1 ATOM 774 C CB . ALA A 1 99 ? 23.733 -11.979 19.897 1.00 18.15 ? 99 ALA A CB 1 ATOM 775 N N . ILE A 1 100 ? 24.696 -9.063 19.435 1.00 13.86 ? 100 ILE A N 1 ATOM 776 C CA . ILE A 1 100 ? 25.517 -8.112 18.686 1.00 12.83 ? 100 ILE A CA 1 ATOM 777 C C . ILE A 1 100 ? 26.171 -8.838 17.516 1.00 14.20 ? 100 ILE A C 1 ATOM 778 O O . ILE A 1 100 ? 26.890 -9.829 17.723 1.00 13.18 ? 100 ILE A O 1 ATOM 779 C CB . ILE A 1 100 ? 26.573 -7.459 19.587 1.00 13.14 ? 100 ILE A CB 1 ATOM 780 C CG1 . ILE A 1 100 ? 25.899 -6.619 20.673 1.00 11.95 ? 100 ILE A CG1 1 ATOM 781 C CG2 . ILE A 1 100 ? 27.524 -6.582 18.760 1.00 14.70 ? 100 ILE A CG2 1 ATOM 782 C CD1 . ILE A 1 100 ? 26.868 -6.171 21.758 1.00 12.84 ? 100 ILE A CD1 1 ATOM 783 N N . PRO A 1 101 ? 25.952 -8.397 16.282 1.00 15.41 ? 101 PRO A N 1 ATOM 784 C CA . PRO A 1 101 ? 26.614 -9.043 15.144 1.00 15.21 ? 101 PRO A CA 1 ATOM 785 C C . PRO A 1 101 ? 28.059 -8.589 14.999 1.00 17.37 ? 101 PRO A C 1 ATOM 786 O O . PRO A 1 101 ? 28.429 -7.468 15.350 1.00 13.54 ? 101 PRO A O 1 ATOM 787 C CB . PRO A 1 101 ? 25.770 -8.610 13.935 1.00 17.71 ? 101 PRO A CB 1 ATOM 788 C CG . PRO A 1 101 ? 24.868 -7.499 14.400 1.00 15.80 ? 101 PRO A CG 1 ATOM 789 C CD . PRO A 1 101 ? 25.080 -7.278 15.881 1.00 13.79 ? 101 PRO A CD 1 ATOM 790 N N . SER A 1 102 ? 28.886 -9.495 14.489 1.00 18.02 ? 102 SER A N 1 ATOM 791 C CA . SER A 1 102 ? 30.286 -9.165 14.262 1.00 18.23 ? 102 SER A CA 1 ATOM 792 C C . SER A 1 102 ? 30.399 -8.038 13.239 1.00 17.80 ? 102 SER A C 1 ATOM 793 O O . SER A 1 102 ? 29.606 -7.950 12.296 1.00 20.24 ? 102 SER A O 1 ATOM 794 C CB . SER A 1 102 ? 31.054 -10.405 13.790 1.00 26.24 ? 102 SER A CB 1 ATOM 795 O OG . SER A 1 102 ? 32.443 -10.082 13.638 1.00 35.98 ? 102 SER A OG 1 ATOM 796 N N . GLY A 1 103 ? 31.366 -7.145 13.457 1.00 16.63 ? 103 GLY A N 1 ATOM 797 C CA . GLY A 1 103 ? 31.569 -6.021 12.560 1.00 16.54 ? 103 GLY A CA 1 ATOM 798 C C . GLY A 1 103 ? 30.655 -4.834 12.768 1.00 16.80 ? 103 GLY A C 1 ATOM 799 O O . GLY A 1 103 ? 30.689 -3.902 11.953 1.00 14.93 ? 103 GLY A O 1 ATOM 800 N N . SER A 1 104 ? 29.857 -4.813 13.839 1.00 16.11 ? 104 SER A N 1 ATOM 801 C CA . SER A 1 104 ? 28.858 -3.768 14.044 1.00 14.02 ? 104 SER A CA 1 ATOM 802 C C . SER A 1 104 ? 29.323 -2.644 14.964 1.00 16.37 ? 104 SER A C 1 ATOM 803 O O . SER A 1 104 ? 28.521 -1.752 15.274 1.00 14.22 ? 104 SER A O 1 ATOM 804 C CB . SER A 1 104 ? 27.573 -4.383 14.611 1.00 15.03 ? 104 SER A CB 1 ATOM 805 O OG . SER A 1 104 ? 27.827 -4.964 15.882 1.00 15.47 ? 104 SER A OG 1 ATOM 806 N N . ALA A 1 105 ? 30.585 -2.654 15.411 1.00 12.11 ? 105 ALA A N 1 ATOM 807 C CA . ALA A 1 105 ? 31.077 -1.632 16.341 1.00 12.18 ? 105 ALA A CA 1 ATOM 808 C C . ALA A 1 105 ? 31.540 -0.422 15.535 1.00 15.90 ? 105 ALA A C 1 ATOM 809 O O . ALA A 1 105 ? 32.726 -0.218 15.278 1.00 17.18 ? 105 ALA A O 1 ATOM 810 C CB . ALA A 1 105 ? 32.197 -2.183 17.218 1.00 13.45 ? 105 ALA A CB 1 ATOM 811 N N . GLY A 1 106 ? 30.573 0.402 15.145 1.00 14.29 ? 106 GLY A N 1 ATOM 812 C CA . GLY A 1 106 ? 30.832 1.514 14.252 1.00 13.60 ? 106 GLY A CA 1 ATOM 813 C C . GLY A 1 106 ? 29.545 2.027 13.639 1.00 12.27 ? 106 GLY A C 1 ATOM 814 O O . GLY A 1 106 ? 28.526 2.123 14.328 1.00 10.91 ? 106 GLY A O 1 ATOM 815 N N . GLY A 1 107 ? 29.570 2.354 12.345 1.00 12.23 ? 107 GLY A N 1 ATOM 816 C CA . GLY A 1 107 ? 28.394 2.917 11.688 1.00 13.02 ? 107 GLY A CA 1 ATOM 817 C C . GLY A 1 107 ? 27.224 1.966 11.545 1.00 13.55 ? 107 GLY A C 1 ATOM 818 O O . GLY A 1 107 ? 26.130 2.401 11.163 1.00 11.03 ? 107 GLY A O 1 ATOM 819 N N . LEU A 1 108 ? 27.422 0.684 11.826 1.00 12.45 ? 108 LEU A N 1 ATOM 820 C CA . LEU A 1 108 ? 26.305 -0.241 11.823 1.00 12.70 ? 108 LEU A CA 1 ATOM 821 C C . LEU A 1 108 ? 25.575 -0.250 13.160 1.00 11.51 ? 108 LEU A C 1 ATOM 822 O O . LEU A 1 108 ? 24.615 -1.006 13.310 1.00 12.73 ? 108 LEU A O 1 ATOM 823 C CB . LEU A 1 108 ? 26.778 -1.655 11.442 1.00 10.92 ? 108 LEU A CB 1 ATOM 824 C CG . LEU A 1 108 ? 27.425 -1.708 10.044 1.00 13.06 ? 108 LEU A CG 1 ATOM 825 C CD1 . LEU A 1 108 ? 27.809 -3.139 9.654 1.00 11.98 ? 108 LEU A CD1 1 ATOM 826 C CD2 . LEU A 1 108 ? 26.499 -1.094 8.983 1.00 11.89 ? 108 LEU A CD2 1 ATOM 827 N N . LEU A 1 109 ? 26.027 0.565 14.126 1.00 11.89 ? 109 LEU A N 1 ATOM 828 C CA . LEU A 1 109 ? 25.266 0.906 15.336 1.00 9.92 ? 109 LEU A CA 1 ATOM 829 C C . LEU A 1 109 ? 24.959 -0.313 16.198 1.00 12.68 ? 109 LEU A C 1 ATOM 830 O O . LEU A 1 109 ? 23.988 -0.313 16.968 1.00 11.48 ? 109 LEU A O 1 ATOM 831 C CB . LEU A 1 109 ? 23.966 1.642 14.988 1.00 12.19 ? 109 LEU A CB 1 ATOM 832 C CG . LEU A 1 109 ? 24.146 2.938 14.202 1.00 11.21 ? 109 LEU A CG 1 ATOM 833 C CD1 . LEU A 1 109 ? 22.804 3.608 13.981 1.00 12.96 ? 109 LEU A CD1 1 ATOM 834 C CD2 . LEU A 1 109 ? 25.111 3.871 14.943 1.00 11.49 ? 109 LEU A CD2 1 ATOM 835 N N . GLY A 1 110 ? 25.791 -1.349 16.098 1.00 11.43 ? 110 GLY A N 1 ATOM 836 C CA . GLY A 1 110 ? 25.524 -2.573 16.827 1.00 13.14 ? 110 GLY A CA 1 ATOM 837 C C . GLY A 1 110 ? 24.347 -3.374 16.321 1.00 11.42 ? 110 GLY A C 1 ATOM 838 O O . GLY A 1 110 ? 23.942 -4.332 16.985 1.00 13.86 ? 110 GLY A O 1 ATOM 839 N N . LEU A 1 111 ? 23.789 -3.027 15.156 1.00 11.68 ? 111 LEU A N 1 ATOM 840 C CA . LEU A 1 111 ? 22.530 -3.614 14.706 1.00 12.51 ? 111 LEU A CA 1 ATOM 841 C C . LEU A 1 111 ? 22.650 -4.501 13.472 1.00 13.13 ? 111 LEU A C 1 ATOM 842 O O . LEU A 1 111 ? 21.767 -5.337 13.248 1.00 13.75 ? 111 LEU A O 1 ATOM 843 C CB . LEU A 1 111 ? 21.504 -2.505 14.417 1.00 10.83 ? 111 LEU A CB 1 ATOM 844 C CG . LEU A 1 111 ? 21.059 -1.681 15.635 1.00 12.63 ? 111 LEU A CG 1 ATOM 845 C CD1 . LEU A 1 111 ? 20.107 -0.567 15.194 1.00 15.29 ? 111 LEU A CD1 1 ATOM 846 C CD2 . LEU A 1 111 ? 20.392 -2.586 16.656 1.00 13.79 ? 111 LEU A CD2 1 ATOM 847 N N . PHE A 1 112 ? 23.715 -4.359 12.685 1.00 14.26 ? 112 PHE A N 1 ATOM 848 C CA . PHE A 1 112 ? 23.837 -5.041 11.404 1.00 13.62 ? 112 PHE A CA 1 ATOM 849 C C . PHE A 1 112 ? 25.246 -5.586 11.237 1.00 14.31 ? 112 PHE A C 1 ATOM 850 O O . PHE A 1 112 ? 26.185 -5.143 11.897 1.00 12.34 ? 112 PHE A O 1 ATOM 851 C CB . PHE A 1 112 ? 23.526 -4.089 10.241 1.00 12.49 ? 112 PHE A CB 1 ATOM 852 C CG . PHE A 1 112 ? 22.134 -3.539 10.271 1.00 11.88 ? 112 PHE A CG 1 ATOM 853 C CD1 . PHE A 1 112 ? 21.096 -4.223 9.660 1.00 14.43 ? 112 PHE A CD1 1 ATOM 854 C CD2 . PHE A 1 112 ? 21.859 -2.343 10.919 1.00 12.65 ? 112 PHE A CD2 1 ATOM 855 C CE1 . PHE A 1 112 ? 19.802 -3.723 9.691 1.00 13.70 ? 112 PHE A CE1 1 ATOM 856 C CE2 . PHE A 1 112 ? 20.572 -1.838 10.949 1.00 14.48 ? 112 PHE A CE2 1 ATOM 857 C CZ . PHE A 1 112 ? 19.545 -2.525 10.335 1.00 14.04 ? 112 PHE A CZ 1 ATOM 858 N N . SER A 1 113 ? 25.386 -6.544 10.322 1.00 16.73 ? 113 SER A N 1 ATOM 859 C CA . SER A 1 113 ? 26.649 -7.110 9.866 1.00 18.45 ? 113 SER A CA 1 ATOM 860 C C . SER A 1 113 ? 27.030 -6.514 8.510 1.00 17.69 ? 113 SER A C 1 ATOM 861 O O . SER A 1 113 ? 26.151 -6.275 7.674 1.00 15.41 ? 113 SER A O 1 ATOM 862 C CB . SER A 1 113 ? 26.537 -8.632 9.752 1.00 20.76 ? 113 SER A CB 1 ATOM 863 O OG . SER A 1 113 ? 27.819 -9.227 9.734 1.00 36.03 ? 113 SER A OG 1 ATOM 864 N N . PRO A 1 114 ? 28.322 -6.255 8.269 1.00 17.37 ? 114 PRO A N 1 ATOM 865 C CA . PRO A 1 114 ? 28.712 -5.483 7.071 1.00 17.96 ? 114 PRO A CA 1 ATOM 866 C C . PRO A 1 114 ? 28.186 -6.016 5.745 1.00 17.99 ? 114 PRO A C 1 ATOM 867 O O . PRO A 1 114 ? 27.744 -5.220 4.912 1.00 17.18 ? 114 PRO A O 1 ATOM 868 C CB . PRO A 1 114 ? 30.243 -5.527 7.126 1.00 21.33 ? 114 PRO A CB 1 ATOM 869 C CG . PRO A 1 114 ? 30.561 -5.638 8.589 1.00 21.84 ? 114 PRO A CG 1 ATOM 870 C CD . PRO A 1 114 ? 29.452 -6.449 9.200 1.00 19.31 ? 114 PRO A CD 1 ATOM 871 N N . LYS A 1 115 ? 28.214 -7.328 5.513 1.00 14.49 ? 115 LYS A N 1 ATOM 872 C CA . LYS A 1 115 ? 27.888 -7.830 4.178 1.00 18.68 ? 115 LYS A CA 1 ATOM 873 C C . LYS A 1 115 ? 26.395 -7.781 3.885 1.00 17.54 ? 115 LYS A C 1 ATOM 874 O O . LYS A 1 115 ? 26.002 -7.857 2.718 1.00 17.12 ? 115 LYS A O 1 ATOM 875 C CB . LYS A 1 115 ? 28.378 -9.269 3.974 1.00 24.26 ? 115 LYS A CB 1 ATOM 876 C CG . LYS A 1 115 ? 29.823 -9.540 4.124 1.00 27.68 ? 115 LYS A CG 1 ATOM 877 C CD . LYS A 1 115 ? 30.307 -9.420 5.492 1.00 38.14 ? 115 LYS A CD 1 ATOM 878 C CE . LYS A 1 115 ? 29.482 -10.119 6.412 1.00 35.68 ? 115 LYS A CE 1 ATOM 879 N NZ . LYS A 1 115 ? 29.628 -9.716 7.761 1.00 28.56 ? 115 LYS A NZ 1 ATOM 880 N N . THR A 1 116 ? 25.554 -7.616 4.904 1.00 13.35 ? 116 THR A N 1 ATOM 881 C CA . THR A 1 116 ? 24.112 -7.658 4.706 1.00 13.92 ? 116 THR A CA 1 ATOM 882 C C . THR A 1 116 ? 23.412 -6.440 5.294 1.00 13.94 ? 116 THR A C 1 ATOM 883 O O . THR A 1 116 ? 22.181 -6.440 5.395 1.00 14.25 ? 116 THR A O 1 ATOM 884 C CB . THR A 1 116 ? 23.542 -8.933 5.330 1.00 16.82 ? 116 THR A CB 1 ATOM 885 O OG1 . THR A 1 116 ? 24.061 -9.049 6.658 1.00 16.84 ? 116 THR A OG1 1 ATOM 886 C CG2 . THR A 1 116 ? 23.972 -10.159 4.528 1.00 22.43 ? 116 THR A CG2 1 ATOM 887 N N . ALA A 1 117 ? 24.163 -5.405 5.678 1.00 13.43 ? 117 ALA A N 1 ATOM 888 C CA . ALA A 1 117 ? 23.571 -4.284 6.400 1.00 14.10 ? 117 ALA A CA 1 ATOM 889 C C . ALA A 1 117 ? 22.480 -3.584 5.598 1.00 15.92 ? 117 ALA A C 1 ATOM 890 O O . ALA A 1 117 ? 21.579 -2.979 6.188 1.00 16.02 ? 117 ALA A O 1 ATOM 891 C CB . ALA A 1 117 ? 24.656 -3.281 6.795 1.00 15.63 ? 117 ALA A CB 1 ATOM 892 N N . GLN A 1 118 ? 22.540 -3.628 4.265 1.00 12.78 ? 118 GLN A N 1 ATOM 893 C CA . GLN A 1 118 ? 21.517 -2.982 3.449 1.00 14.49 ? 118 GLN A CA 1 ATOM 894 C C . GLN A 1 118 ? 20.613 -3.993 2.760 1.00 17.40 ? 118 GLN A C 1 ATOM 895 O O . GLN A 1 118 ? 19.877 -3.641 1.834 1.00 16.70 ? 118 GLN A O 1 ATOM 896 C CB . GLN A 1 118 ? 22.157 -2.044 2.424 1.00 17.23 ? 118 GLN A CB 1 ATOM 897 C CG . GLN A 1 118 ? 22.902 -0.883 3.078 1.00 16.65 ? 118 GLN A CG 1 ATOM 898 C CD . GLN A 1 118 ? 23.383 0.147 2.068 1.00 16.76 ? 118 GLN A CD 1 ATOM 899 O OE1 . GLN A 1 118 ? 22.577 0.800 1.412 1.00 17.14 ? 118 GLN A OE1 1 ATOM 900 N NE2 . GLN A 1 118 ? 24.695 0.291 1.941 1.00 13.98 ? 118 GLN A NE2 1 ATOM 901 N N . ASN A 1 119 ? 20.631 -5.237 3.211 1.00 16.44 ? 119 ASN A N 1 ATOM 902 C CA . ASN A 1 119 ? 19.860 -6.299 2.576 1.00 20.41 ? 119 ASN A CA 1 ATOM 903 C C . ASN A 1 119 ? 18.597 -6.520 3.400 1.00 17.70 ? 119 ASN A C 1 ATOM 904 O O . ASN A 1 119 ? 18.620 -7.239 4.406 1.00 15.04 ? 119 ASN A O 1 ATOM 905 C CB . ASN A 1 119 ? 20.704 -7.560 2.470 1.00 20.40 ? 119 ASN A CB 1 ATOM 906 C CG . ASN A 1 119 ? 20.014 -8.645 1.701 1.00 25.19 ? 119 ASN A CG 1 ATOM 907 O OD1 . ASN A 1 119 ? 18.793 -8.665 1.602 1.00 20.90 ? 119 ASN A OD1 1 ATOM 908 N ND2 . ASN A 1 119 ? 20.789 -9.556 1.144 1.00 24.49 ? 119 ASN A ND2 1 ATOM 909 N N . GLU A 1 120 ? 17.491 -5.910 2.958 1.00 15.81 ? 120 GLU A N 1 ATOM 910 C CA . GLU A 1 120 ? 16.243 -5.981 3.717 1.00 17.89 ? 120 GLU A CA 1 ATOM 911 C C . GLU A 1 120 ? 15.760 -7.411 3.886 1.00 20.77 ? 120 GLU A C 1 ATOM 912 O O . GLU A 1 120 ? 15.092 -7.724 4.876 1.00 19.98 ? 120 GLU A O 1 ATOM 913 C CB . GLU A 1 120 ? 15.144 -5.165 3.037 1.00 20.89 ? 120 GLU A CB 1 ATOM 914 C CG . GLU A 1 120 ? 15.203 -3.680 3.313 1.00 26.01 ? 120 GLU A CG 1 ATOM 915 C CD . GLU A 1 120 ? 15.786 -2.908 2.150 1.00 33.82 ? 120 GLU A CD 1 ATOM 916 O OE1 . GLU A 1 120 ? 16.414 -3.552 1.277 1.00 42.22 ? 120 GLU A OE1 1 ATOM 917 O OE2 . GLU A 1 120 ? 15.603 -1.667 2.101 1.00 28.89 ? 120 GLU A OE2 1 ATOM 918 N N . SER A 1 121 ? 16.066 -8.285 2.928 1.00 20.00 ? 121 SER A N 1 ATOM 919 C CA . SER A 1 121 ? 15.616 -9.670 3.015 1.00 17.29 ? 121 SER A CA 1 ATOM 920 C C . SER A 1 121 ? 16.338 -10.455 4.093 1.00 19.56 ? 121 SER A C 1 ATOM 921 O O . SER A 1 121 ? 15.845 -11.508 4.503 1.00 22.58 ? 121 SER A O 1 ATOM 922 C CB . SER A 1 121 ? 15.812 -10.379 1.673 1.00 22.82 ? 121 SER A CB 1 ATOM 923 O OG . SER A 1 121 ? 15.154 -9.660 0.647 1.00 33.26 ? 121 SER A OG 1 ATOM 924 N N . ALA A 1 122 ? 17.497 -9.991 4.542 1.00 17.85 ? 122 ALA A N 1 ATOM 925 C CA . ALA A 1 122 ? 18.298 -10.761 5.484 1.00 16.83 ? 122 ALA A CA 1 ATOM 926 C C . ALA A 1 122 ? 18.039 -10.390 6.938 1.00 15.82 ? 122 ALA A C 1 ATOM 927 O O . ALA A 1 122 ? 18.137 -11.254 7.816 1.00 15.52 ? 122 ALA A O 1 ATOM 928 C CB . ALA A 1 122 ? 19.789 -10.572 5.176 1.00 16.76 ? 122 ALA A CB 1 ATOM 929 N N . ASN A 1 123 ? 17.702 -9.134 7.215 1.00 13.73 ? 123 ASN A N 1 ATOM 930 C CA . ASN A 1 123 ? 17.699 -8.638 8.581 1.00 15.02 ? 123 ASN A CA 1 ATOM 931 C C . ASN A 1 123 ? 16.336 -8.796 9.254 1.00 16.72 ? 123 ASN A C 1 ATOM 932 O O . ASN A 1 123 ? 15.305 -8.996 8.607 1.00 15.23 ? 123 ASN A O 1 ATOM 933 C CB . ASN A 1 123 ? 18.136 -7.170 8.598 1.00 12.83 ? 123 ASN A CB 1 ATOM 934 C CG . ASN A 1 123 ? 19.581 -6.997 8.134 1.00 13.39 ? 123 ASN A CG 1 ATOM 935 O OD1 . ASN A 1 123 ? 20.510 -7.482 8.781 1.00 16.61 ? 123 ASN A OD1 1 ATOM 936 N ND2 . ASN A 1 123 ? 19.774 -6.305 7.012 1.00 13.48 ? 123 ASN A ND2 1 ATOM 937 N N . GLN A 1 124 ? 16.356 -8.690 10.597 1.00 16.63 ? 124 GLN A N 1 ATOM 938 C CA . GLN A 1 124 ? 15.164 -8.711 11.449 1.00 13.78 ? 124 GLN A CA 1 ATOM 939 C C . GLN A 1 124 ? 15.350 -7.608 12.493 1.00 15.87 ? 124 GLN A C 1 ATOM 940 O O . GLN A 1 124 ? 15.538 -7.854 13.682 1.00 15.12 ? 124 GLN A O 1 ATOM 941 C CB . GLN A 1 124 ? 14.965 -10.081 12.106 1.00 16.67 ? 124 GLN A CB 1 ATOM 942 C CG . GLN A 1 124 ? 14.584 -11.175 11.140 1.00 19.17 ? 124 GLN A CG 1 ATOM 943 C CD . GLN A 1 124 ? 13.167 -11.001 10.652 1.00 21.16 ? 124 GLN A CD 1 ATOM 944 O OE1 . GLN A 1 124 ? 12.224 -11.488 11.275 1.00 24.18 ? 124 GLN A OE1 1 ATOM 945 N NE2 . GLN A 1 124 ? 13.003 -10.287 9.547 1.00 25.79 ? 124 GLN A NE2 1 ATOM 946 N N . VAL A 1 125 ? 15.336 -6.358 12.034 1.00 13.91 ? 125 VAL A N 1 ATOM 947 C CA . VAL A 1 125 ? 15.590 -5.203 12.890 1.00 17.34 ? 125 VAL A CA 1 ATOM 948 C C . VAL A 1 125 ? 14.655 -4.089 12.462 1.00 13.79 ? 125 VAL A C 1 ATOM 949 O O . VAL A 1 125 ? 14.622 -3.725 11.282 1.00 13.37 ? 125 VAL A O 1 ATOM 950 C CB . VAL A 1 125 ? 17.043 -4.680 12.806 1.00 20.56 ? 125 VAL A CB 1 ATOM 951 C CG1 . VAL A 1 125 ? 17.215 -3.472 13.742 1.00 17.96 ? 125 VAL A CG1 1 ATOM 952 C CG2 . VAL A 1 125 ? 18.053 -5.748 13.148 1.00 23.85 ? 125 VAL A CG2 1 ATOM 953 N N . LEU A 1 126 ? 13.921 -3.530 13.419 1.00 11.92 ? 126 LEU A N 1 ATOM 954 C CA . LEU A 1 126 ? 13.221 -2.263 13.238 1.00 12.08 ? 126 LEU A CA 1 ATOM 955 C C . LEU A 1 126 ? 13.808 -1.271 14.241 1.00 12.14 ? 126 LEU A C 1 ATOM 956 O O . LEU A 1 126 ? 13.855 -1.564 15.438 1.00 12.71 ? 126 LEU A O 1 ATOM 957 C CB . LEU A 1 126 ? 11.711 -2.439 13.446 1.00 12.97 ? 126 LEU A CB 1 ATOM 958 C CG . LEU A 1 126 ? 10.810 -1.212 13.244 1.00 12.78 ? 126 LEU A CG 1 ATOM 959 C CD1 . LEU A 1 126 ? 10.850 -0.721 11.803 1.00 15.10 ? 126 LEU A CD1 1 ATOM 960 C CD2 . LEU A 1 126 ? 9.371 -1.505 13.671 1.00 20.18 ? 126 LEU A CD2 1 ATOM 961 N N . ALA A 1 127 ? 14.280 -0.116 13.767 1.00 12.55 ? 127 ALA A N 1 ATOM 962 C CA . ALA A 1 127 ? 15.031 0.767 14.649 1.00 12.18 ? 127 ALA A CA 1 ATOM 963 C C . ALA A 1 127 ? 14.761 2.233 14.344 1.00 13.97 ? 127 ALA A C 1 ATOM 964 O O . ALA A 1 127 ? 14.444 2.613 13.216 1.00 13.19 ? 127 ALA A O 1 ATOM 965 C CB . ALA A 1 127 ? 16.542 0.502 14.554 1.00 12.70 ? 127 ALA A CB 1 ATOM 966 N N . VAL A 1 128 ? 14.894 3.050 15.378 1.00 12.18 ? 128 VAL A N 1 ATOM 967 C CA . VAL A 1 128 ? 14.886 4.502 15.253 1.00 11.61 ? 128 VAL A CA 1 ATOM 968 C C . VAL A 1 128 ? 16.278 4.959 15.657 1.00 12.38 ? 128 VAL A C 1 ATOM 969 O O . VAL A 1 128 ? 16.672 4.815 16.823 1.00 10.94 ? 128 VAL A O 1 ATOM 970 C CB . VAL A 1 128 ? 13.804 5.146 16.129 1.00 11.44 ? 128 VAL A CB 1 ATOM 971 C CG1 . VAL A 1 128 ? 13.856 6.669 15.997 1.00 10.28 ? 128 VAL A CG1 1 ATOM 972 C CG2 . VAL A 1 128 ? 12.416 4.603 15.739 1.00 11.09 ? 128 VAL A CG2 1 ATOM 973 N N . GLU A 1 129 ? 17.040 5.473 14.695 1.00 10.68 ? 129 GLU A N 1 ATOM 974 C CA . GLU A 1 129 ? 18.436 5.806 14.929 1.00 11.59 ? 129 GLU A CA 1 ATOM 975 C C . GLU A 1 129 ? 18.640 7.308 15.113 1.00 12.35 ? 129 GLU A C 1 ATOM 976 O O . GLU A 1 129 ? 17.957 8.138 14.502 1.00 11.42 ? 129 GLU A O 1 ATOM 977 C CB . GLU A 1 129 ? 19.315 5.309 13.775 1.00 10.68 ? 129 GLU A CB 1 ATOM 978 C CG . GLU A 1 129 ? 18.977 5.945 12.431 1.00 11.28 ? 129 GLU A CG 1 ATOM 979 C CD . GLU A 1 129 ? 20.065 5.706 11.402 1.00 14.93 ? 129 GLU A CD 1 ATOM 980 O OE1 . GLU A 1 129 ? 20.454 4.539 11.208 1.00 13.49 ? 129 GLU A OE1 1 ATOM 981 O OE2 . GLU A 1 129 ? 20.533 6.690 10.795 1.00 11.64 ? 129 GLU A OE2 1 ATOM 982 N N . PHE A 1 130 ? 19.616 7.642 15.954 1.00 10.72 ? 130 PHE A N 1 ATOM 983 C CA . PHE A 1 130 ? 20.062 9.010 16.209 1.00 9.65 ? 130 PHE A CA 1 ATOM 984 C C . PHE A 1 130 ? 21.532 8.985 15.830 1.00 13.32 ? 130 PHE A C 1 ATOM 985 O O . PHE A 1 130 ? 22.395 8.628 16.638 1.00 12.01 ? 130 PHE A O 1 ATOM 986 C CB . PHE A 1 130 ? 19.785 9.407 17.659 1.00 10.71 ? 130 PHE A CB 1 ATOM 987 C CG . PHE A 1 130 ? 18.324 9.328 17.990 1.00 11.36 ? 130 PHE A CG 1 ATOM 988 C CD1 . PHE A 1 130 ? 17.735 8.109 18.286 1.00 11.60 ? 130 PHE A CD1 1 ATOM 989 C CD2 . PHE A 1 130 ? 17.525 10.450 17.895 1.00 12.27 ? 130 PHE A CD2 1 ATOM 990 C CE1 . PHE A 1 130 ? 16.370 8.020 18.533 1.00 10.12 ? 130 PHE A CE1 1 ATOM 991 C CE2 . PHE A 1 130 ? 16.156 10.373 18.138 1.00 12.17 ? 130 PHE A CE2 1 ATOM 992 C CZ . PHE A 1 130 ? 15.586 9.152 18.456 1.00 12.22 ? 130 PHE A CZ 1 ATOM 993 N N . ASP A 1 131 ? 21.787 9.316 14.564 1.00 9.66 ? 131 ASP A N 1 ATOM 994 C CA . ASP A 1 131 ? 23.010 8.945 13.861 1.00 12.57 ? 131 ASP A CA 1 ATOM 995 C C . ASP A 1 131 ? 23.871 10.190 13.729 1.00 12.23 ? 131 ASP A C 1 ATOM 996 O O . ASP A 1 131 ? 23.531 11.111 12.973 1.00 12.23 ? 131 ASP A O 1 ATOM 997 C CB . ASP A 1 131 ? 22.662 8.343 12.498 1.00 10.93 ? 131 ASP A CB 1 ATOM 998 C CG . ASP A 1 131 ? 23.872 7.782 11.772 1.00 12.13 ? 131 ASP A CG 1 ATOM 999 O OD1 . ASP A 1 131 ? 25.020 8.076 12.176 1.00 11.08 ? 131 ASP A OD1 1 ATOM 1000 O OD2 . ASP A 1 131 ? 23.666 7.050 10.784 1.00 11.93 ? 131 ASP A OD2 1 ATOM 1001 N N . THR A 1 132 ? 24.986 10.217 14.457 1.00 11.27 ? 132 THR A N 1 ATOM 1002 C CA . THR A 1 132 ? 25.801 11.419 14.532 1.00 12.82 ? 132 THR A CA 1 ATOM 1003 C C . THR A 1 132 ? 26.939 11.453 13.517 1.00 13.39 ? 132 THR A C 1 ATOM 1004 O O . THR A 1 132 ? 27.549 12.514 13.338 1.00 13.53 ? 132 THR A O 1 ATOM 1005 C CB . THR A 1 132 ? 26.389 11.578 15.943 1.00 12.00 ? 132 THR A CB 1 ATOM 1006 O OG1 . THR A 1 132 ? 27.301 10.502 16.213 1.00 12.31 ? 132 THR A OG1 1 ATOM 1007 C CG2 . THR A 1 132 ? 25.275 11.581 17.008 1.00 10.97 ? 132 THR A CG2 1 ATOM 1008 N N . PHE A 1 133 ? 27.243 10.338 12.856 1.00 13.24 ? 133 PHE A N 1 ATOM 1009 C CA . PHE A 1 133 ? 28.431 10.222 12.011 1.00 12.02 ? 133 PHE A CA 1 ATOM 1010 C C . PHE A 1 133 ? 28.020 9.730 10.632 1.00 12.02 ? 133 PHE A C 1 ATOM 1011 O O . PHE A 1 133 ? 27.307 8.728 10.514 1.00 13.17 ? 133 PHE A O 1 ATOM 1012 C CB . PHE A 1 133 ? 29.467 9.271 12.637 1.00 11.69 ? 133 PHE A CB 1 ATOM 1013 C CG . PHE A 1 133 ? 30.766 9.169 11.866 1.00 12.00 ? 133 PHE A CG 1 ATOM 1014 C CD1 . PHE A 1 133 ? 30.916 8.228 10.853 1.00 11.52 ? 133 PHE A CD1 1 ATOM 1015 C CD2 . PHE A 1 133 ? 31.843 10.000 12.174 1.00 11.43 ? 133 PHE A CD2 1 ATOM 1016 C CE1 . PHE A 1 133 ? 32.117 8.128 10.144 1.00 12.67 ? 133 PHE A CE1 1 ATOM 1017 C CE2 . PHE A 1 133 ? 33.038 9.903 11.477 1.00 12.79 ? 133 PHE A CE2 1 ATOM 1018 C CZ . PHE A 1 133 ? 33.174 8.961 10.465 1.00 13.04 ? 133 PHE A CZ 1 ATOM 1019 N N . TYR A 1 134 ? 28.509 10.419 9.593 1.00 11.10 ? 134 TYR A N 1 ATOM 1020 C CA . TYR A 1 134 ? 27.955 10.310 8.249 1.00 12.01 ? 134 TYR A CA 1 ATOM 1021 C C . TYR A 1 134 ? 29.037 10.279 7.169 1.00 13.17 ? 134 TYR A C 1 ATOM 1022 O O . TYR A 1 134 ? 28.698 10.351 5.981 1.00 13.65 ? 134 TYR A O 1 ATOM 1023 C CB . TYR A 1 134 ? 26.993 11.504 7.992 1.00 12.02 ? 134 TYR A CB 1 ATOM 1024 C CG . TYR A 1 134 ? 27.675 12.818 8.321 1.00 12.65 ? 134 TYR A CG 1 ATOM 1025 C CD1 . TYR A 1 134 ? 28.492 13.458 7.389 1.00 11.98 ? 134 TYR A CD1 1 ATOM 1026 C CD2 . TYR A 1 134 ? 27.553 13.390 9.581 1.00 13.62 ? 134 TYR A CD2 1 ATOM 1027 C CE1 . TYR A 1 134 ? 29.152 14.631 7.702 1.00 12.07 ? 134 TYR A CE1 1 ATOM 1028 C CE2 . TYR A 1 134 ? 28.209 14.567 9.901 1.00 12.23 ? 134 TYR A CE2 1 ATOM 1029 C CZ . TYR A 1 134 ? 29.007 15.178 8.960 1.00 13.25 ? 134 TYR A CZ 1 ATOM 1030 O OH . TYR A 1 134 ? 29.660 16.345 9.281 1.00 13.54 ? 134 TYR A OH 1 ATOM 1031 N N . ALA A 1 135 ? 30.318 10.177 7.535 1.00 11.88 ? 135 ALA A N 1 ATOM 1032 C CA . ALA A 1 135 ? 31.405 10.277 6.561 1.00 13.72 ? 135 ALA A CA 1 ATOM 1033 C C . ALA A 1 135 ? 31.243 9.276 5.424 1.00 14.11 ? 135 ALA A C 1 ATOM 1034 O O . ALA A 1 135 ? 31.076 8.073 5.651 1.00 12.46 ? 135 ALA A O 1 ATOM 1035 C CB . ALA A 1 135 ? 32.760 10.053 7.238 1.00 12.77 ? 135 ALA A CB 1 ATOM 1036 N N . GLN A 1 136 ? 31.343 9.779 4.191 1.00 10.86 ? 136 GLN A N 1 ATOM 1037 C CA . GLN A 1 136 ? 31.201 8.924 3.018 1.00 13.35 ? 136 GLN A CA 1 ATOM 1038 C C . GLN A 1 136 ? 32.280 7.849 2.948 1.00 12.03 ? 136 GLN A C 1 ATOM 1039 O O . GLN A 1 136 ? 32.069 6.817 2.303 1.00 14.84 ? 136 GLN A O 1 ATOM 1040 C CB . GLN A 1 136 ? 31.220 9.783 1.746 1.00 15.52 ? 136 GLN A CB 1 ATOM 1041 C CG . GLN A 1 136 ? 30.957 9.021 0.438 1.00 13.54 ? 136 GLN A CG 1 ATOM 1042 C CD . GLN A 1 136 ? 29.568 8.398 0.372 1.00 16.23 ? 136 GLN A CD 1 ATOM 1043 O OE1 . GLN A 1 136 ? 28.680 8.711 1.179 1.00 17.04 ? 136 GLN A OE1 1 ATOM 1044 N NE2 . GLN A 1 136 ? 29.367 7.517 -0.607 1.00 13.99 ? 136 GLN A NE2 1 ATOM 1045 N N . ASN A 1 137 ? 33.412 8.034 3.626 1.00 12.19 ? 137 ASN A N 1 ATOM 1046 C CA . ASN A 1 137 ? 34.461 7.024 3.512 1.00 13.50 ? 137 ASN A CA 1 ATOM 1047 C C . ASN A 1 137 ? 34.090 5.704 4.180 1.00 17.56 ? 137 ASN A C 1 ATOM 1048 O O . ASN A 1 137 ? 34.779 4.704 3.945 1.00 15.43 ? 137 ASN A O 1 ATOM 1049 C CB . ASN A 1 137 ? 35.793 7.565 4.067 1.00 15.30 ? 137 ASN A CB 1 ATOM 1050 C CG . ASN A 1 137 ? 35.761 7.823 5.581 1.00 15.21 ? 137 ASN A CG 1 ATOM 1051 O OD1 . ASN A 1 137 ? 35.296 6.988 6.355 1.00 14.83 ? 137 ASN A OD1 1 ATOM 1052 N ND2 . ASN A 1 137 ? 36.275 8.988 6.002 1.00 13.36 ? 137 ASN A ND2 1 ATOM 1053 N N . SER A 1 138 ? 33.010 5.657 4.971 1.00 14.53 ? 138 SER A N 1 ATOM 1054 C CA . SER A 1 138 ? 32.622 4.409 5.624 1.00 14.29 ? 138 SER A CA 1 ATOM 1055 C C . SER A 1 138 ? 31.110 4.258 5.807 1.00 15.38 ? 138 SER A C 1 ATOM 1056 O O . SER A 1 138 ? 30.611 3.131 5.906 1.00 17.92 ? 138 SER A O 1 ATOM 1057 C CB . SER A 1 138 ? 33.315 4.290 6.985 1.00 13.35 ? 138 SER A CB 1 ATOM 1058 O OG . SER A 1 138 ? 32.897 5.335 7.851 1.00 12.99 ? 138 SER A OG 1 ATOM 1059 N N . ASN A 1 139 ? 30.378 5.366 5.897 1.00 12.50 ? 139 ASN A N 1 ATOM 1060 C CA . ASN A 1 139 ? 28.917 5.351 6.045 1.00 12.30 ? 139 ASN A CA 1 ATOM 1061 C C . ASN A 1 139 ? 28.289 5.800 4.728 1.00 14.10 ? 139 ASN A C 1 ATOM 1062 O O . ASN A 1 139 ? 27.664 6.860 4.640 1.00 11.87 ? 139 ASN A O 1 ATOM 1063 C CB . ASN A 1 139 ? 28.463 6.274 7.197 1.00 10.96 ? 139 ASN A CB 1 ATOM 1064 C CG . ASN A 1 139 ? 28.894 5.776 8.574 1.00 14.60 ? 139 ASN A CG 1 ATOM 1065 O OD1 . ASN A 1 139 ? 30.057 5.385 8.793 1.00 14.56 ? 139 ASN A OD1 1 ATOM 1066 N ND2 . ASN A 1 139 ? 27.956 5.797 9.514 1.00 9.10 ? 139 ASN A ND2 1 ATOM 1067 N N . THR A 1 140 ? 28.464 4.975 3.692 1.00 12.86 ? 140 THR A N 1 ATOM 1068 C CA . THR A 1 140 ? 28.023 5.345 2.350 1.00 15.03 ? 140 THR A CA 1 ATOM 1069 C C . THR A 1 140 ? 26.508 5.468 2.236 1.00 16.79 ? 140 THR A C 1 ATOM 1070 O O . THR A 1 140 ? 26.021 6.117 1.304 1.00 17.40 ? 140 THR A O 1 ATOM 1071 C CB . THR A 1 140 ? 28.512 4.314 1.346 1.00 17.27 ? 140 THR A CB 1 ATOM 1072 O OG1 . THR A 1 140 ? 28.042 3.025 1.760 1.00 14.70 ? 140 THR A OG1 1 ATOM 1073 C CG2 . THR A 1 140 ? 30.033 4.296 1.303 1.00 17.04 ? 140 THR A CG2 1 ATOM 1074 N N . TRP A 1 141 ? 25.759 4.849 3.148 1.00 13.92 ? 141 TRP A N 1 ATOM 1075 C CA . TRP A 1 141 ? 24.303 4.843 3.123 1.00 13.77 ? 141 TRP A CA 1 ATOM 1076 C C . TRP A 1 141 ? 23.681 6.097 3.725 1.00 14.96 ? 141 TRP A C 1 ATOM 1077 O O . TRP A 1 141 ? 22.462 6.268 3.623 1.00 15.74 ? 141 TRP A O 1 ATOM 1078 C CB . TRP A 1 141 ? 23.802 3.631 3.905 1.00 12.66 ? 141 TRP A CB 1 ATOM 1079 C CG . TRP A 1 141 ? 24.466 3.573 5.229 1.00 13.05 ? 141 TRP A CG 1 ATOM 1080 C CD1 . TRP A 1 141 ? 24.136 4.294 6.347 1.00 12.40 ? 141 TRP A CD1 1 ATOM 1081 C CD2 . TRP A 1 141 ? 25.619 2.803 5.575 1.00 13.08 ? 141 TRP A CD2 1 ATOM 1082 N NE1 . TRP A 1 141 ? 25.003 4.004 7.368 1.00 11.77 ? 141 TRP A NE1 1 ATOM 1083 C CE2 . TRP A 1 141 ? 25.924 3.092 6.922 1.00 13.12 ? 141 TRP A CE2 1 ATOM 1084 C CE3 . TRP A 1 141 ? 26.418 1.883 4.882 1.00 13.99 ? 141 TRP A CE3 1 ATOM 1085 C CZ2 . TRP A 1 141 ? 26.990 2.497 7.588 1.00 13.45 ? 141 TRP A CZ2 1 ATOM 1086 C CZ3 . TRP A 1 141 ? 27.470 1.289 5.548 1.00 15.91 ? 141 TRP A CZ3 1 ATOM 1087 C CH2 . TRP A 1 141 ? 27.747 1.597 6.888 1.00 13.64 ? 141 TRP A CH2 1 ATOM 1088 N N . ASP A 1 142 ? 24.495 6.973 4.411 1.00 13.99 ? 142 ASP A N 1 ATOM 1089 C CA . ASP A 1 142 ? 23.976 8.105 5.169 1.00 11.22 ? 142 ASP A CA 1 ATOM 1090 C C . ASP A 1 142 ? 23.875 9.345 4.293 1.00 13.77 ? 142 ASP A C 1 ATOM 1091 O O . ASP A 1 142 ? 24.684 9.526 3.380 1.00 12.97 ? 142 ASP A O 1 ATOM 1092 C CB . ASP A 1 142 ? 24.890 8.437 6.346 1.00 11.30 ? 142 ASP A CB 1 ATOM 1093 C CG . ASP A 1 142 ? 24.622 7.584 7.572 1.00 12.06 ? 142 ASP A CG 1 ATOM 1094 O OD1 . ASP A 1 142 ? 23.497 7.078 7.728 1.00 11.25 ? 142 ASP A OD1 1 ATOM 1095 O OD2 . ASP A 1 142 ? 25.557 7.448 8.386 1.00 13.34 ? 142 ASP A OD2 1 ATOM 1096 N N . PRO A 1 143 ? 22.934 10.240 4.592 1.00 13.15 ? 143 PRO A N 1 ATOM 1097 C CA . PRO A 1 143 ? 23.039 11.609 4.078 1.00 15.05 ? 143 PRO A CA 1 ATOM 1098 C C . PRO A 1 143 ? 24.255 12.277 4.699 1.00 12.40 ? 143 PRO A C 1 ATOM 1099 O O . PRO A 1 143 ? 24.837 11.778 5.665 1.00 12.20 ? 143 PRO A O 1 ATOM 1100 C CB . PRO A 1 143 ? 21.733 12.266 4.530 1.00 13.43 ? 143 PRO A CB 1 ATOM 1101 C CG . PRO A 1 143 ? 21.426 11.563 5.837 1.00 15.10 ? 143 PRO A CG 1 ATOM 1102 C CD . PRO A 1 143 ? 21.856 10.113 5.595 1.00 13.24 ? 143 PRO A CD 1 ATOM 1103 N N . ASN A 1 144 ? 24.650 13.414 4.129 1.00 13.13 ? 144 ASN A N 1 ATOM 1104 C CA . ASN A 1 144 ? 25.887 14.089 4.535 1.00 13.78 ? 144 ASN A CA 1 ATOM 1105 C C . ASN A 1 144 ? 25.689 15.016 5.738 1.00 13.69 ? 144 ASN A C 1 ATOM 1106 O O . ASN A 1 144 ? 26.155 16.156 5.745 1.00 13.51 ? 144 ASN A O 1 ATOM 1107 C CB . ASN A 1 144 ? 26.470 14.861 3.354 1.00 14.91 ? 144 ASN A CB 1 ATOM 1108 C CG . ASN A 1 144 ? 27.894 15.316 3.610 1.00 15.76 ? 144 ASN A CG 1 ATOM 1109 O OD1 . ASN A 1 144 ? 28.690 14.585 4.215 1.00 14.80 ? 144 ASN A OD1 1 ATOM 1110 N ND2 . ASN A 1 144 ? 28.219 16.542 3.182 1.00 13.64 ? 144 ASN A ND2 1 ATOM 1111 N N . TYR A 1 145 ? 25.020 14.537 6.778 1.00 12.08 ? 145 TYR A N 1 ATOM 1112 C CA . TYR A 1 145 ? 24.792 15.322 7.983 1.00 11.14 ? 145 TYR A CA 1 ATOM 1113 C C . TYR A 1 145 ? 24.264 14.392 9.074 1.00 11.82 ? 145 TYR A C 1 ATOM 1114 O O . TYR A 1 145 ? 23.774 13.301 8.773 1.00 12.26 ? 145 TYR A O 1 ATOM 1115 C CB . TYR A 1 145 ? 23.802 16.475 7.733 1.00 12.96 ? 145 TYR A CB 1 ATOM 1116 C CG . TYR A 1 145 ? 22.563 16.110 6.931 1.00 12.45 ? 145 TYR A CG 1 ATOM 1117 C CD1 . TYR A 1 145 ? 21.472 15.486 7.530 1.00 11.93 ? 145 TYR A CD1 1 ATOM 1118 C CD2 . TYR A 1 145 ? 22.483 16.416 5.579 1.00 13.12 ? 145 TYR A CD2 1 ATOM 1119 C CE1 . TYR A 1 145 ? 20.346 15.170 6.792 1.00 12.43 ? 145 TYR A CE1 1 ATOM 1120 C CE2 . TYR A 1 145 ? 21.366 16.104 4.830 1.00 15.92 ? 145 TYR A CE2 1 ATOM 1121 C CZ . TYR A 1 145 ? 20.302 15.487 5.436 1.00 14.36 ? 145 TYR A CZ 1 ATOM 1122 O OH . TYR A 1 145 ? 19.196 15.172 4.686 1.00 18.03 ? 145 TYR A OH 1 ATOM 1123 N N . PRO A 1 146 ? 24.364 14.797 10.338 1.00 13.55 ? 146 PRO A N 1 ATOM 1124 C CA . PRO A 1 146 ? 23.753 13.996 11.402 1.00 12.22 ? 146 PRO A CA 1 ATOM 1125 C C . PRO A 1 146 ? 22.241 14.010 11.243 1.00 12.19 ? 146 PRO A C 1 ATOM 1126 O O . PRO A 1 146 ? 21.660 14.973 10.736 1.00 12.72 ? 146 PRO A O 1 ATOM 1127 C CB . PRO A 1 146 ? 24.199 14.699 12.692 1.00 12.58 ? 146 PRO A CB 1 ATOM 1128 C CG . PRO A 1 146 ? 25.382 15.535 12.293 1.00 16.98 ? 146 PRO A CG 1 ATOM 1129 C CD . PRO A 1 146 ? 25.091 15.961 10.874 1.00 12.91 ? 146 PRO A CD 1 ATOM 1130 N N . HIS A 1 147 ? 21.602 12.920 11.656 1.00 10.55 ? 147 HIS A N 1 ATOM 1131 C CA . HIS A 1 147 ? 20.213 12.733 11.266 1.00 10.66 ? 147 HIS A CA 1 ATOM 1132 C C . HIS A 1 147 ? 19.525 11.739 12.189 1.00 13.15 ? 147 HIS A C 1 ATOM 1133 O O . HIS A 1 147 ? 20.162 10.905 12.840 1.00 11.63 ? 147 HIS A O 1 ATOM 1134 C CB . HIS A 1 147 ? 20.127 12.238 9.818 1.00 10.18 ? 147 HIS A CB 1 ATOM 1135 C CG . HIS A 1 147 ? 20.954 11.013 9.567 1.00 11.61 ? 147 HIS A CG 1 ATOM 1136 N ND1 . HIS A 1 147 ? 22.304 11.074 9.301 1.00 9.98 ? 147 HIS A ND1 1 ATOM 1137 C CD2 . HIS A 1 147 ? 20.628 9.697 9.572 1.00 13.93 ? 147 HIS A CD2 1 ATOM 1138 C CE1 . HIS A 1 147 ? 22.773 9.848 9.135 1.00 11.90 ? 147 HIS A CE1 1 ATOM 1139 N NE2 . HIS A 1 147 ? 21.779 8.994 9.303 1.00 11.99 ? 147 HIS A NE2 1 ATOM 1140 N N . ILE A 1 148 ? 18.202 11.841 12.215 1.00 11.50 ? 148 ILE A N 1 ATOM 1141 C CA . ILE A 1 148 ? 17.325 10.883 12.875 1.00 11.54 ? 148 ILE A CA 1 ATOM 1142 C C . ILE A 1 148 ? 16.657 10.080 11.771 1.00 12.32 ? 148 ILE A C 1 ATOM 1143 O O . ILE A 1 148 ? 16.210 10.654 10.771 1.00 13.01 ? 148 ILE A O 1 ATOM 1144 C CB . ILE A 1 148 ? 16.299 11.608 13.768 1.00 11.77 ? 148 ILE A CB 1 ATOM 1145 C CG1 . ILE A 1 148 ? 17.035 12.277 14.939 1.00 12.36 ? 148 ILE A CG1 1 ATOM 1146 C CG2 . ILE A 1 148 ? 15.194 10.643 14.242 1.00 13.79 ? 148 ILE A CG2 1 ATOM 1147 C CD1 . ILE A 1 148 ? 16.198 13.281 15.722 1.00 14.04 ? 148 ILE A CD1 1 ATOM 1148 N N . GLY A 1 149 ? 16.621 8.757 11.921 1.00 10.37 ? 149 GLY A N 1 ATOM 1149 C CA . GLY A 1 149 ? 16.137 7.906 10.855 1.00 10.35 ? 149 GLY A CA 1 ATOM 1150 C C . GLY A 1 149 ? 15.323 6.743 11.386 1.00 12.06 ? 149 GLY A C 1 ATOM 1151 O O . GLY A 1 149 ? 15.450 6.340 12.539 1.00 13.46 ? 149 GLY A O 1 ATOM 1152 N N . ILE A 1 150 ? 14.462 6.222 10.522 1.00 11.76 ? 150 ILE A N 1 ATOM 1153 C CA . ILE A 1 150 ? 13.739 4.985 10.799 1.00 12.94 ? 150 ILE A CA 1 ATOM 1154 C C . ILE A 1 150 ? 14.318 3.914 9.891 1.00 14.86 ? 150 ILE A C 1 ATOM 1155 O O . ILE A 1 150 ? 14.343 4.082 8.664 1.00 13.29 ? 150 ILE A O 1 ATOM 1156 C CB . ILE A 1 150 ? 12.224 5.143 10.593 1.00 14.43 ? 150 ILE A CB 1 ATOM 1157 C CG1 . ILE A 1 150 ? 11.646 6.086 11.652 1.00 14.25 ? 150 ILE A CG1 1 ATOM 1158 C CG2 . ILE A 1 150 ? 11.525 3.769 10.648 1.00 14.78 ? 150 ILE A CG2 1 ATOM 1159 C CD1 . ILE A 1 150 ? 10.165 6.432 11.415 1.00 15.40 ? 150 ILE A CD1 1 ATOM 1160 N N . ASP A 1 151 ? 14.798 2.819 10.499 1.00 12.82 ? 151 ASP A N 1 ATOM 1161 C CA . ASP A 1 151 ? 15.518 1.758 9.803 1.00 12.67 ? 151 ASP A CA 1 ATOM 1162 C C . ASP A 1 151 ? 14.647 0.510 9.764 1.00 13.60 ? 151 ASP A C 1 ATOM 1163 O O . ASP A 1 151 ? 14.315 -0.049 10.817 1.00 12.59 ? 151 ASP A O 1 ATOM 1164 C CB . ASP A 1 151 ? 16.838 1.428 10.505 1.00 12.72 ? 151 ASP A CB 1 ATOM 1165 C CG . ASP A 1 151 ? 17.791 2.606 10.579 1.00 13.59 ? 151 ASP A CG 1 ATOM 1166 O OD1 . ASP A 1 151 ? 17.578 3.619 9.882 1.00 12.71 ? 151 ASP A OD1 1 ATOM 1167 O OD2 . ASP A 1 151 ? 18.777 2.499 11.335 1.00 12.55 ? 151 ASP A OD2 1 ATOM 1168 N N . VAL A 1 152 ? 14.313 0.055 8.559 1.00 12.75 ? 152 VAL A N 1 ATOM 1169 C CA . VAL A 1 152 ? 13.459 -1.116 8.395 1.00 14.36 ? 152 VAL A CA 1 ATOM 1170 C C . VAL A 1 152 ? 14.296 -2.210 7.745 1.00 14.34 ? 152 VAL A C 1 ATOM 1171 O O . VAL A 1 152 ? 14.411 -2.263 6.518 1.00 14.85 ? 152 VAL A O 1 ATOM 1172 C CB . VAL A 1 152 ? 12.206 -0.778 7.561 1.00 13.27 ? 152 VAL A CB 1 ATOM 1173 C CG1 . VAL A 1 152 ? 11.284 -1.985 7.439 1.00 13.23 ? 152 VAL A CG1 1 ATOM 1174 C CG2 . VAL A 1 152 ? 11.460 0.396 8.187 1.00 13.81 ? 152 VAL A CG2 1 ATOM 1175 N N . ASN A 1 153 ? 14.928 -3.053 8.567 1.00 10.53 ? 153 ASN A N 1 ATOM 1176 C CA . ASN A 1 153 ? 15.759 -4.164 8.098 1.00 13.65 ? 153 ASN A CA 1 ATOM 1177 C C . ASN A 1 153 ? 16.926 -3.693 7.230 1.00 13.56 ? 153 ASN A C 1 ATOM 1178 O O . ASN A 1 153 ? 17.443 -4.450 6.409 1.00 14.55 ? 153 ASN A O 1 ATOM 1179 C CB . ASN A 1 153 ? 14.913 -5.205 7.358 1.00 13.53 ? 153 ASN A CB 1 ATOM 1180 C CG . ASN A 1 153 ? 14.173 -6.102 8.314 1.00 14.51 ? 153 ASN A CG 1 ATOM 1181 O OD1 . ASN A 1 153 ? 14.649 -6.340 9.412 1.00 16.80 ? 153 ASN A OD1 1 ATOM 1182 N ND2 . ASN A 1 153 ? 13.010 -6.599 7.911 1.00 15.95 ? 153 ASN A ND2 1 ATOM 1183 N N . SER A 1 154 ? 17.369 -2.452 7.430 1.00 11.66 ? 154 SER A N 1 ATOM 1184 C CA . SER A 1 154 ? 18.520 -1.919 6.710 1.00 12.27 ? 154 SER A CA 1 ATOM 1185 C C . SER A 1 154 ? 19.102 -0.753 7.495 1.00 12.57 ? 154 SER A C 1 ATOM 1186 O O . SER A 1 154 ? 18.369 -0.014 8.156 1.00 12.72 ? 154 SER A O 1 ATOM 1187 C CB . SER A 1 154 ? 18.144 -1.450 5.304 1.00 14.35 ? 154 SER A CB 1 ATOM 1188 O OG . SER A 1 154 ? 19.233 -0.761 4.700 1.00 15.03 ? 154 SER A OG 1 ATOM 1189 N N . ILE A 1 155 ? 20.429 -0.599 7.416 1.00 12.31 ? 155 ILE A N 1 ATOM 1190 C CA . ILE A 1 155 ? 21.099 0.563 8.008 1.00 10.84 ? 155 ILE A CA 1 ATOM 1191 C C . ILE A 1 155 ? 20.863 1.813 7.167 1.00 13.53 ? 155 ILE A C 1 ATOM 1192 O O . ILE A 1 155 ? 21.072 2.931 7.652 1.00 12.66 ? 155 ILE A O 1 ATOM 1193 C CB . ILE A 1 155 ? 22.610 0.285 8.165 1.00 13.03 ? 155 ILE A CB 1 ATOM 1194 C CG1 . ILE A 1 155 ? 23.289 1.323 9.084 1.00 11.67 ? 155 ILE A CG1 1 ATOM 1195 C CG2 . ILE A 1 155 ? 23.275 0.257 6.789 1.00 12.69 ? 155 ILE A CG2 1 ATOM 1196 C CD1 . ILE A 1 155 ? 22.772 1.342 10.533 1.00 12.44 ? 155 ILE A CD1 1 ATOM 1197 N N . LYS A 1 156 ? 20.449 1.660 5.908 1.00 11.99 ? 156 LYS A N 1 ATOM 1198 C CA . LYS A 1 156 ? 20.000 2.807 5.119 1.00 14.03 ? 156 LYS A CA 1 ATOM 1199 C C . LYS A 1 156 ? 18.563 3.118 5.520 1.00 15.45 ? 156 LYS A C 1 ATOM 1200 O O . LYS A 1 156 ? 17.637 2.375 5.170 1.00 13.37 ? 156 LYS A O 1 ATOM 1201 C CB . LYS A 1 156 ? 20.100 2.530 3.621 1.00 14.33 ? 156 LYS A CB 1 ATOM 1202 C CG . LYS A 1 156 ? 19.775 3.772 2.772 1.00 17.05 ? 156 LYS A CG 1 ATOM 1203 C CD . LYS A 1 156 ? 19.992 3.534 1.282 1.00 18.67 ? 156 LYS A CD 1 ATOM 1204 C CE . LYS A 1 156 ? 20.090 4.857 0.537 1.00 26.13 ? 156 LYS A CE 1 ATOM 1205 N NZ . LYS A 1 156 ? 18.965 5.782 0.883 1.00 32.27 ? 156 LYS A NZ 1 ATOM 1206 N N . SER A 1 157 ? 18.377 4.211 6.256 1.00 13.02 ? 157 SER A N 1 ATOM 1207 C CA . SER A 1 157 ? 17.058 4.551 6.768 1.00 12.88 ? 157 SER A CA 1 ATOM 1208 C C . SER A 1 157 ? 16.043 4.689 5.641 1.00 16.14 ? 157 SER A C 1 ATOM 1209 O O . SER A 1 157 ? 16.340 5.230 4.570 1.00 13.56 ? 157 SER A O 1 ATOM 1210 C CB . SER A 1 157 ? 17.112 5.857 7.555 1.00 13.17 ? 157 SER A CB 1 ATOM 1211 O OG . SER A 1 157 ? 18.109 5.809 8.563 1.00 12.98 ? 157 SER A OG 1 ATOM 1212 N N . ALA A 1 158 ? 14.832 4.188 5.896 1.00 12.01 ? 158 ALA A N 1 ATOM 1213 C CA . ALA A 1 158 ? 13.725 4.423 4.977 1.00 14.47 ? 158 ALA A CA 1 ATOM 1214 C C . ALA A 1 158 ? 13.404 5.906 4.867 1.00 16.65 ? 158 ALA A C 1 ATOM 1215 O O . ALA A 1 158 ? 12.987 6.381 3.805 1.00 15.52 ? 158 ALA A O 1 ATOM 1216 C CB . ALA A 1 158 ? 12.492 3.650 5.451 1.00 17.01 ? 158 ALA A CB 1 ATOM 1217 N N . LYS A 1 159 ? 13.597 6.653 5.947 1.00 13.09 ? 159 LYS A N 1 ATOM 1218 C CA . LYS A 1 159 ? 13.349 8.084 5.921 1.00 15.19 ? 159 LYS A CA 1 ATOM 1219 C C . LYS A 1 159 ? 14.208 8.711 7.009 1.00 15.72 ? 159 LYS A C 1 ATOM 1220 O O . LYS A 1 159 ? 14.410 8.101 8.062 1.00 12.18 ? 159 LYS A O 1 ATOM 1221 C CB . LYS A 1 159 ? 11.859 8.375 6.140 1.00 19.80 ? 159 LYS A CB 1 ATOM 1222 C CG . LYS A 1 159 ? 11.405 9.716 5.584 1.00 31.13 ? 159 LYS A CG 1 ATOM 1223 C CD . LYS A 1 159 ? 9.919 9.969 5.837 1.00 30.82 ? 159 LYS A CD 1 ATOM 1224 C CE . LYS A 1 159 ? 9.022 9.078 5.007 1.00 33.07 ? 159 LYS A CE 1 ATOM 1225 N NZ . LYS A 1 159 ? 7.594 9.460 5.236 1.00 28.49 ? 159 LYS A NZ 1 ATOM 1226 N N . THR A 1 160 ? 14.748 9.901 6.735 1.00 12.78 ? 160 THR A N 1 ATOM 1227 C CA . THR A 1 160 ? 15.567 10.623 7.702 1.00 13.09 ? 160 THR A CA 1 ATOM 1228 C C . THR A 1 160 ? 15.068 12.056 7.832 1.00 16.11 ? 160 THR A C 1 ATOM 1229 O O . THR A 1 160 ? 14.346 12.573 6.975 1.00 14.14 ? 160 THR A O 1 ATOM 1230 C CB . THR A 1 160 ? 17.066 10.663 7.314 1.00 14.98 ? 160 THR A CB 1 ATOM 1231 O OG1 . THR A 1 160 ? 17.225 11.337 6.057 1.00 15.18 ? 160 THR A OG1 1 ATOM 1232 C CG2 . THR A 1 160 ? 17.672 9.256 7.221 1.00 15.12 ? 160 THR A CG2 1 ATOM 1233 N N . VAL A 1 161 ? 15.488 12.701 8.913 1.00 11.17 ? 161 VAL A N 1 ATOM 1234 C CA . VAL A 1 161 ? 15.347 14.141 9.071 1.00 12.89 ? 161 VAL A CA 1 ATOM 1235 C C . VAL A 1 161 ? 16.669 14.699 9.588 1.00 14.78 ? 161 VAL A C 1 ATOM 1236 O O . VAL A 1 161 ? 17.370 14.038 10.364 1.00 13.51 ? 161 VAL A O 1 ATOM 1237 C CB . VAL A 1 161 ? 14.167 14.476 10.015 1.00 18.86 ? 161 VAL A CB 1 ATOM 1238 C CG1 . VAL A 1 161 ? 14.416 13.883 11.400 1.00 15.20 ? 161 VAL A CG1 1 ATOM 1239 C CG2 . VAL A 1 161 ? 13.926 15.978 10.083 1.00 25.87 ? 161 VAL A CG2 1 ATOM 1240 N N . ARG A 1 162 ? 17.026 15.906 9.134 1.00 13.18 ? 162 ARG A N 1 ATOM 1241 C CA . ARG A 1 162 ? 18.259 16.559 9.571 1.00 13.22 ? 162 ARG A CA 1 ATOM 1242 C C . ARG A 1 162 ? 18.224 16.865 11.070 1.00 16.28 ? 162 ARG A C 1 ATOM 1243 O O . ARG A 1 162 ? 17.228 17.363 11.602 1.00 12.93 ? 162 ARG A O 1 ATOM 1244 C CB . ARG A 1 162 ? 18.469 17.854 8.765 1.00 16.68 ? 162 ARG A CB 1 ATOM 1245 C CG . ARG A 1 162 ? 19.811 18.563 8.979 1.00 14.86 ? 162 ARG A CG 1 ATOM 1246 C CD . ARG A 1 162 ? 19.872 19.879 8.194 1.00 17.38 ? 162 ARG A CD 1 ATOM 1247 N NE . ARG A 1 162 ? 19.519 19.700 6.786 1.00 18.15 ? 162 ARG A NE 1 ATOM 1248 C CZ . ARG A 1 162 ? 20.397 19.645 5.787 1.00 22.74 ? 162 ARG A CZ 1 ATOM 1249 N NH1 . ARG A 1 162 ? 21.702 19.780 6.025 1.00 14.81 ? 162 ARG A NH1 1 ATOM 1250 N NH2 . ARG A 1 162 ? 19.965 19.461 4.540 1.00 22.01 ? 162 ARG A NH2 1 ATOM 1251 N N . TRP A 1 163 ? 19.337 16.592 11.753 1.00 13.00 ? 163 TRP A N 1 ATOM 1252 C CA . TRP A 1 163 ? 19.406 16.745 13.206 1.00 13.87 ? 163 TRP A CA 1 ATOM 1253 C C . TRP A 1 163 ? 20.823 17.157 13.566 1.00 18.80 ? 163 TRP A C 1 ATOM 1254 O O . TRP A 1 163 ? 21.772 16.454 13.215 1.00 21.87 ? 163 TRP A O 1 ATOM 1255 C CB . TRP A 1 163 ? 19.018 15.428 13.904 1.00 14.99 ? 163 TRP A CB 1 ATOM 1256 C CG . TRP A 1 163 ? 19.399 15.298 15.373 1.00 16.95 ? 163 TRP A CG 1 ATOM 1257 C CD1 . TRP A 1 163 ? 18.958 16.074 16.410 1.00 19.82 ? 163 TRP A CD1 1 ATOM 1258 C CD2 . TRP A 1 163 ? 20.266 14.305 15.959 1.00 13.33 ? 163 TRP A CD2 1 ATOM 1259 N NE1 . TRP A 1 163 ? 19.504 15.636 17.597 1.00 18.06 ? 163 TRP A NE1 1 ATOM 1260 C CE2 . TRP A 1 163 ? 20.307 14.551 17.347 1.00 17.71 ? 163 TRP A CE2 1 ATOM 1261 C CE3 . TRP A 1 163 ? 21.014 13.239 15.438 1.00 14.19 ? 163 TRP A CE3 1 ATOM 1262 C CZ2 . TRP A 1 163 ? 21.070 13.770 18.230 1.00 13.41 ? 163 TRP A CZ2 1 ATOM 1263 C CZ3 . TRP A 1 163 ? 21.769 12.458 16.316 1.00 13.77 ? 163 TRP A CZ3 1 ATOM 1264 C CH2 . TRP A 1 163 ? 21.790 12.731 17.695 1.00 14.15 ? 163 TRP A CH2 1 ATOM 1265 N N . GLU A 1 164 ? 20.987 18.295 14.234 1.00 12.69 ? 164 GLU A N 1 ATOM 1266 C CA . GLU A 1 164 ? 22.307 18.702 14.694 1.00 12.29 ? 164 GLU A CA 1 ATOM 1267 C C . GLU A 1 164 ? 22.438 18.256 16.149 1.00 14.82 ? 164 GLU A C 1 ATOM 1268 O O . GLU A 1 164 ? 21.817 18.837 17.042 1.00 14.68 ? 164 GLU A O 1 ATOM 1269 C CB . GLU A 1 164 ? 22.532 20.206 14.543 1.00 12.60 ? 164 GLU A CB 1 ATOM 1270 C CG . GLU A 1 164 ? 24.007 20.622 14.742 1.00 13.86 ? 164 GLU A CG 1 ATOM 1271 C CD . GLU A 1 164 ? 24.927 20.145 13.614 1.00 13.75 ? 164 GLU A CD 1 ATOM 1272 O OE1 . GLU A 1 164 ? 24.484 20.107 12.443 1.00 14.10 ? 164 GLU A OE1 1 ATOM 1273 O OE2 . GLU A 1 164 ? 26.097 19.797 13.894 1.00 15.14 ? 164 GLU A OE2 1 ATOM 1274 N N . ARG A 1 165 ? 23.221 17.202 16.368 1.00 15.70 ? 165 ARG A N 1 ATOM 1275 C CA . ARG A 1 165 ? 23.538 16.732 17.713 1.00 16.32 ? 165 ARG A CA 1 ATOM 1276 C C . ARG A 1 165 ? 24.083 17.871 18.565 1.00 16.47 ? 165 ARG A C 1 ATOM 1277 O O . ARG A 1 165 ? 24.958 18.623 18.126 1.00 17.38 ? 165 ARG A O 1 ATOM 1278 C CB . ARG A 1 165 ? 24.567 15.600 17.617 1.00 16.72 ? 165 ARG A CB 1 ATOM 1279 C CG . ARG A 1 165 ? 25.262 15.196 18.919 1.00 14.47 ? 165 ARG A CG 1 ATOM 1280 C CD . ARG A 1 165 ? 26.661 14.689 18.586 1.00 14.03 ? 165 ARG A CD 1 ATOM 1281 N NE . ARG A 1 165 ? 27.336 14.031 19.701 1.00 14.21 ? 165 ARG A NE 1 ATOM 1282 C CZ . ARG A 1 165 ? 28.024 14.672 20.640 1.00 16.69 ? 165 ARG A CZ 1 ATOM 1283 N NH1 . ARG A 1 165 ? 28.127 16.003 20.611 1.00 13.52 ? 165 ARG A NH1 1 ATOM 1284 N NH2 . ARG A 1 165 ? 28.617 13.981 21.606 1.00 13.48 ? 165 ARG A NH2 1 ATOM 1285 N N . ARG A 1 166 ? 23.549 18.002 19.781 1.00 13.68 ? 166 ARG A N 1 ATOM 1286 C CA . ARG A 1 166 ? 23.998 18.996 20.750 1.00 13.32 ? 166 ARG A CA 1 ATOM 1287 C C . ARG A 1 166 ? 24.772 18.297 21.858 1.00 16.03 ? 166 ARG A C 1 ATOM 1288 O O . ARG A 1 166 ? 24.243 17.395 22.516 1.00 16.55 ? 166 ARG A O 1 ATOM 1289 C CB . ARG A 1 166 ? 22.817 19.767 21.337 1.00 13.55 ? 166 ARG A CB 1 ATOM 1290 C CG . ARG A 1 166 ? 22.019 20.521 20.283 1.00 13.36 ? 166 ARG A CG 1 ATOM 1291 C CD . ARG A 1 166 ? 20.912 21.335 20.923 1.00 13.21 ? 166 ARG A CD 1 ATOM 1292 N NE . ARG A 1 166 ? 20.039 21.941 19.925 1.00 14.11 ? 166 ARG A NE 1 ATOM 1293 C CZ . ARG A 1 166 ? 19.016 22.738 20.227 1.00 18.85 ? 166 ARG A CZ 1 ATOM 1294 N NH1 . ARG A 1 166 ? 18.748 23.016 21.499 1.00 13.78 ? 166 ARG A NH1 1 ATOM 1295 N NH2 . ARG A 1 166 ? 18.263 23.255 19.262 1.00 15.71 ? 166 ARG A NH2 1 ATOM 1296 N N . GLU A 1 167 ? 26.012 18.724 22.062 1.00 14.29 ? 167 GLU A N 1 ATOM 1297 C CA . GLU A 1 167 ? 26.879 18.119 23.066 1.00 15.49 ? 167 GLU A CA 1 ATOM 1298 C C . GLU A 1 167 ? 26.252 18.196 24.457 1.00 15.04 ? 167 GLU A C 1 ATOM 1299 O O . GLU A 1 167 ? 25.947 19.285 24.950 1.00 13.74 ? 167 GLU A O 1 ATOM 1300 C CB . GLU A 1 167 ? 28.237 18.829 23.054 1.00 15.82 ? 167 GLU A CB 1 ATOM 1301 C CG . GLU A 1 167 ? 29.169 18.427 24.199 1.00 15.79 ? 167 GLU A CG 1 ATOM 1302 C CD . GLU A 1 167 ? 29.820 17.055 23.997 1.00 15.80 ? 167 GLU A CD 1 ATOM 1303 O OE1 . GLU A 1 167 ? 29.785 16.521 22.868 1.00 16.53 ? 167 GLU A OE1 1 ATOM 1304 O OE2 . GLU A 1 167 ? 30.379 16.519 24.976 1.00 16.98 ? 167 GLU A OE2 1 ATOM 1305 N N . GLY A 1 168 ? 26.066 17.038 25.097 1.00 13.84 ? 168 GLY A N 1 ATOM 1306 C CA . GLY A 1 168 ? 25.640 16.986 26.485 1.00 13.35 ? 168 GLY A CA 1 ATOM 1307 C C . GLY A 1 168 ? 24.180 17.302 26.755 1.00 16.84 ? 168 GLY A C 1 ATOM 1308 O O . GLY A 1 168 ? 23.765 17.244 27.918 1.00 18.98 ? 168 GLY A O 1 ATOM 1309 N N . VAL A 1 169 ? 23.386 17.609 25.733 1.00 12.84 ? 169 VAL A N 1 ATOM 1310 C CA . VAL A 1 169 ? 21.994 18.037 25.897 1.00 14.65 ? 169 VAL A CA 1 ATOM 1311 C C . VAL A 1 169 ? 21.056 16.838 25.797 1.00 15.78 ? 169 VAL A C 1 ATOM 1312 O O . VAL A 1 169 ? 21.219 15.977 24.924 1.00 14.29 ? 169 VAL A O 1 ATOM 1313 C CB . VAL A 1 169 ? 21.637 19.098 24.836 1.00 16.12 ? 169 VAL A CB 1 ATOM 1314 C CG1 . VAL A 1 169 ? 20.163 19.471 24.915 1.00 15.98 ? 169 VAL A CG1 1 ATOM 1315 C CG2 . VAL A 1 169 ? 22.533 20.339 24.989 1.00 16.97 ? 169 VAL A CG2 1 ATOM 1316 N N . THR A 1 170 ? 20.039 16.796 26.667 1.00 14.57 ? 170 THR A N 1 ATOM 1317 C CA . THR A 1 170 ? 19.066 15.706 26.638 1.00 15.06 ? 170 THR A CA 1 ATOM 1318 C C . THR A 1 170 ? 18.083 15.878 25.485 1.00 13.37 ? 170 THR A C 1 ATOM 1319 O O . THR A 1 170 ? 17.480 16.946 25.322 1.00 12.94 ? 170 THR A O 1 ATOM 1320 C CB . THR A 1 170 ? 18.301 15.629 27.960 1.00 16.31 ? 170 THR A CB 1 ATOM 1321 O OG1 . THR A 1 170 ? 19.201 15.239 28.998 1.00 17.28 ? 170 THR A OG1 1 ATOM 1322 C CG2 . THR A 1 170 ? 17.170 14.620 27.866 1.00 19.04 ? 170 THR A CG2 1 ATOM 1323 N N . LEU A 1 171 ? 17.934 14.828 24.679 1.00 11.18 ? 171 LEU A N 1 ATOM 1324 C CA . LEU A 1 171 ? 16.873 14.741 23.682 1.00 13.50 ? 171 LEU A CA 1 ATOM 1325 C C . LEU A 1 171 ? 15.787 13.810 24.205 1.00 13.13 ? 171 LEU A C 1 ATOM 1326 O O . LEU A 1 171 ? 16.079 12.687 24.629 1.00 12.36 ? 171 LEU A O 1 ATOM 1327 C CB . LEU A 1 171 ? 17.413 14.227 22.341 1.00 12.15 ? 171 LEU A CB 1 ATOM 1328 C CG . LEU A 1 171 ? 16.468 14.279 21.134 1.00 11.11 ? 171 LEU A CG 1 ATOM 1329 C CD1 . LEU A 1 171 ? 16.246 15.732 20.675 1.00 12.58 ? 171 LEU A CD1 1 ATOM 1330 C CD2 . LEU A 1 171 ? 17.006 13.408 19.990 1.00 12.98 ? 171 LEU A CD2 1 ATOM 1331 N N . ASN A 1 172 ? 14.541 14.276 24.179 1.00 12.59 ? 172 ASN A N 1 ATOM 1332 C CA . ASN A 1 172 ? 13.392 13.476 24.580 1.00 14.00 ? 172 ASN A CA 1 ATOM 1333 C C . ASN A 1 172 ? 12.703 12.931 23.338 1.00 13.65 ? 172 ASN A C 1 ATOM 1334 O O . ASN A 1 172 ? 12.511 13.659 22.362 1.00 13.47 ? 172 ASN A O 1 ATOM 1335 C CB . ASN A 1 172 ? 12.401 14.307 25.400 1.00 17.11 ? 172 ASN A CB 1 ATOM 1336 C CG . ASN A 1 172 ? 12.837 14.466 26.840 1.00 24.85 ? 172 ASN A CG 1 ATOM 1337 O OD1 . ASN A 1 172 ? 12.644 13.570 27.660 1.00 35.90 ? 172 ASN A OD1 1 ATOM 1338 N ND2 . ASN A 1 172 ? 13.439 15.599 27.152 1.00 30.05 ? 172 ASN A ND2 1 ATOM 1339 N N . VAL A 1 173 ? 12.335 11.652 23.375 1.00 12.62 ? 173 VAL A N 1 ATOM 1340 C CA . VAL A 1 173 ? 11.860 10.946 22.189 1.00 12.79 ? 173 VAL A CA 1 ATOM 1341 C C . VAL A 1 173 ? 10.594 10.184 22.525 1.00 15.28 ? 173 VAL A C 1 ATOM 1342 O O . VAL A 1 173 ? 10.520 9.516 23.565 1.00 13.54 ? 173 VAL A O 1 ATOM 1343 C CB . VAL A 1 173 ? 12.906 9.953 21.637 1.00 11.54 ? 173 VAL A CB 1 ATOM 1344 C CG1 . VAL A 1 173 ? 12.436 9.408 20.292 1.00 11.67 ? 173 VAL A CG1 1 ATOM 1345 C CG2 . VAL A 1 173 ? 14.269 10.604 21.527 1.00 11.24 ? 173 VAL A CG2 1 ATOM 1346 N N . LEU A 1 174 ? 9.616 10.250 21.622 1.00 12.39 ? 174 LEU A N 1 ATOM 1347 C CA . LEU A 1 174 ? 8.435 9.397 21.666 1.00 13.84 ? 174 LEU A CA 1 ATOM 1348 C C . LEU A 1 174 ? 8.336 8.644 20.346 1.00 17.00 ? 174 LEU A C 1 ATOM 1349 O O . LEU A 1 174 ? 8.281 9.267 19.280 1.00 15.41 ? 174 LEU A O 1 ATOM 1350 C CB . LEU A 1 174 ? 7.167 10.216 21.911 1.00 14.62 ? 174 LEU A CB 1 ATOM 1351 C CG . LEU A 1 174 ? 5.889 9.383 21.986 1.00 15.37 ? 174 LEU A CG 1 ATOM 1352 C CD1 . LEU A 1 174 ? 5.936 8.409 23.164 1.00 17.81 ? 174 LEU A CD1 1 ATOM 1353 C CD2 . LEU A 1 174 ? 4.672 10.308 22.076 1.00 19.21 ? 174 LEU A CD2 1 ATOM 1354 N N . VAL A 1 175 ? 8.324 7.311 20.421 1.00 11.99 ? 175 VAL A N 1 ATOM 1355 C CA . VAL A 1 175 ? 8.152 6.431 19.265 1.00 12.40 ? 175 VAL A CA 1 ATOM 1356 C C . VAL A 1 175 ? 6.839 5.685 19.444 1.00 16.72 ? 175 VAL A C 1 ATOM 1357 O O . VAL A 1 175 ? 6.614 5.078 20.500 1.00 14.14 ? 175 VAL A O 1 ATOM 1358 C CB . VAL A 1 175 ? 9.315 5.430 19.138 1.00 14.32 ? 175 VAL A CB 1 ATOM 1359 C CG1 . VAL A 1 175 ? 9.083 4.482 17.958 1.00 13.92 ? 175 VAL A CG1 1 ATOM 1360 C CG2 . VAL A 1 175 ? 10.661 6.158 19.019 1.00 13.81 ? 175 VAL A CG2 1 ATOM 1361 N N . THR A 1 176 ? 5.971 5.715 18.416 1.00 14.30 ? 176 THR A N 1 ATOM 1362 C CA . THR A 1 176 ? 4.666 5.060 18.497 1.00 14.76 ? 176 THR A CA 1 ATOM 1363 C C . THR A 1 176 ? 4.377 4.264 17.231 1.00 17.92 ? 176 THR A C 1 ATOM 1364 O O . THR A 1 176 ? 4.648 4.730 16.120 1.00 16.00 ? 176 THR A O 1 ATOM 1365 C CB . THR A 1 176 ? 3.526 6.074 18.713 1.00 18.83 ? 176 THR A CB 1 ATOM 1366 O OG1 . THR A 1 176 ? 3.281 6.788 17.498 1.00 27.69 ? 176 THR A OG1 1 ATOM 1367 C CG2 . THR A 1 176 ? 3.876 7.070 19.800 1.00 12.84 ? 176 THR A CG2 1 ATOM 1368 N N . TYR A 1 177 ? 3.810 3.069 17.400 1.00 14.02 ? 177 TYR A N 1 ATOM 1369 C CA . TYR A 1 177 ? 3.329 2.272 16.275 1.00 14.45 ? 177 TYR A CA 1 ATOM 1370 C C . TYR A 1 177 ? 1.823 2.103 16.385 1.00 15.49 ? 177 TYR A C 1 ATOM 1371 O O . TYR A 1 177 ? 1.321 1.646 17.419 1.00 16.76 ? 177 TYR A O 1 ATOM 1372 C CB . TYR A 1 177 ? 3.986 0.891 16.209 1.00 13.94 ? 177 TYR A CB 1 ATOM 1373 C CG . TYR A 1 177 ? 3.565 0.114 14.987 1.00 15.01 ? 177 TYR A CG 1 ATOM 1374 C CD1 . TYR A 1 177 ? 3.946 0.534 13.715 1.00 17.08 ? 177 TYR A CD1 1 ATOM 1375 C CD2 . TYR A 1 177 ? 2.783 -1.034 15.092 1.00 13.29 ? 177 TYR A CD2 1 ATOM 1376 C CE1 . TYR A 1 177 ? 3.564 -0.165 12.578 1.00 16.01 ? 177 TYR A CE1 1 ATOM 1377 C CE2 . TYR A 1 177 ? 2.387 -1.734 13.954 1.00 18.21 ? 177 TYR A CE2 1 ATOM 1378 C CZ . TYR A 1 177 ? 2.789 -1.293 12.702 1.00 16.28 ? 177 TYR A CZ 1 ATOM 1379 O OH . TYR A 1 177 ? 2.425 -1.974 11.559 1.00 16.16 ? 177 TYR A OH 1 ATOM 1380 N N . ASN A 1 178 ? 1.118 2.457 15.312 1.00 13.43 ? 178 ASN A N 1 ATOM 1381 C CA . ASN A 1 178 ? -0.329 2.326 15.206 1.00 16.64 ? 178 ASN A CA 1 ATOM 1382 C C . ASN A 1 178 ? -0.630 1.240 14.182 1.00 14.85 ? 178 ASN A C 1 ATOM 1383 O O . ASN A 1 178 ? -0.438 1.465 12.978 1.00 16.68 ? 178 ASN A O 1 ATOM 1384 C CB . ASN A 1 178 ? -0.962 3.655 14.784 1.00 18.91 ? 178 ASN A CB 1 ATOM 1385 C CG . ASN A 1 178 ? -2.487 3.610 14.773 1.00 24.62 ? 178 ASN A CG 1 ATOM 1386 O OD1 . ASN A 1 178 ? -3.093 2.564 14.554 1.00 27.34 ? 178 ASN A OD1 1 ATOM 1387 N ND2 . ASN A 1 178 ? -3.111 4.757 15.010 1.00 24.87 ? 178 ASN A ND2 1 ATOM 1388 N N . PRO A 1 179 ? -1.087 0.057 14.599 1.00 17.60 ? 179 PRO A N 1 ATOM 1389 C CA . PRO A 1 179 ? -1.301 -1.025 13.626 1.00 18.10 ? 179 PRO A CA 1 ATOM 1390 C C . PRO A 1 179 ? -2.480 -0.787 12.694 1.00 19.64 ? 179 PRO A C 1 ATOM 1391 O O . PRO A 1 179 ? -2.496 -1.358 11.598 1.00 19.17 ? 179 PRO A O 1 ATOM 1392 C CB . PRO A 1 179 ? -1.522 -2.260 14.511 1.00 19.64 ? 179 PRO A CB 1 ATOM 1393 C CG . PRO A 1 179 ? -1.961 -1.724 15.816 1.00 19.70 ? 179 PRO A CG 1 ATOM 1394 C CD . PRO A 1 179 ? -1.323 -0.379 15.986 1.00 17.98 ? 179 PRO A CD 1 ATOM 1395 N N . SER A 1 180 ? -3.462 0.035 13.074 1.00 17.68 ? 180 SER A N 1 ATOM 1396 C CA . SER A 1 180 ? -4.582 0.257 12.162 1.00 19.78 ? 180 SER A CA 1 ATOM 1397 C C . SER A 1 180 ? -4.171 1.111 10.968 1.00 22.37 ? 180 SER A C 1 ATOM 1398 O O . SER A 1 180 ? -4.735 0.959 9.880 1.00 24.47 ? 180 SER A O 1 ATOM 1399 C CB . SER A 1 180 ? -5.760 0.892 12.902 1.00 25.11 ? 180 SER A CB 1 ATOM 1400 O OG . SER A 1 180 ? -5.444 2.203 13.327 1.00 32.61 ? 180 SER A OG 1 ATOM 1401 N N . THR A 1 181 ? -3.192 2.000 11.140 1.00 19.60 ? 181 THR A N 1 ATOM 1402 C CA . THR A 1 181 ? -2.641 2.779 10.034 1.00 19.80 ? 181 THR A CA 1 ATOM 1403 C C . THR A 1 181 ? -1.277 2.274 9.591 1.00 19.89 ? 181 THR A C 1 ATOM 1404 O O . THR A 1 181 ? -0.709 2.804 8.624 1.00 17.88 ? 181 THR A O 1 ATOM 1405 C CB . THR A 1 181 ? -2.531 4.254 10.422 1.00 22.73 ? 181 THR A CB 1 ATOM 1406 O OG1 . THR A 1 181 ? -1.563 4.395 11.474 1.00 18.37 ? 181 THR A OG1 1 ATOM 1407 C CG2 . THR A 1 181 ? -3.888 4.787 10.891 1.00 23.04 ? 181 THR A CG2 1 ATOM 1408 N N . LYS A 1 182 ? -0.745 1.266 10.278 1.00 16.17 ? 182 LYS A N 1 ATOM 1409 C CA . LYS A 1 182 ? 0.574 0.704 9.991 1.00 17.46 ? 182 LYS A CA 1 ATOM 1410 C C . LYS A 1 182 ? 1.645 1.791 9.940 1.00 18.03 ? 182 LYS A C 1 ATOM 1411 O O . LYS A 1 182 ? 2.587 1.740 9.143 1.00 17.69 ? 182 LYS A O 1 ATOM 1412 C CB . LYS A 1 182 ? 0.538 -0.122 8.707 1.00 18.12 ? 182 LYS A CB 1 ATOM 1413 C CG . LYS A 1 182 ? -0.266 -1.412 8.889 1.00 22.56 ? 182 LYS A CG 1 ATOM 1414 C CD . LYS A 1 182 ? -0.775 -1.988 7.590 1.00 28.54 ? 182 LYS A CD 1 ATOM 1415 C CE . LYS A 1 182 ? 0.340 -2.455 6.722 1.00 26.75 ? 182 LYS A CE 1 ATOM 1416 N NZ . LYS A 1 182 ? 0.965 -1.391 5.898 1.00 34.98 ? 182 LYS A NZ 1 ATOM 1417 N N . THR A 1 183 ? 1.520 2.770 10.834 1.00 19.15 ? 183 THR A N 1 ATOM 1418 C CA . THR A 1 183 ? 2.419 3.914 10.868 1.00 15.90 ? 183 THR A CA 1 ATOM 1419 C C . THR A 1 183 ? 3.319 3.867 12.096 1.00 17.81 ? 183 THR A C 1 ATOM 1420 O O . THR A 1 183 ? 2.834 3.766 13.230 1.00 14.98 ? 183 THR A O 1 ATOM 1421 C CB . THR A 1 183 ? 1.627 5.219 10.853 1.00 20.54 ? 183 THR A CB 1 ATOM 1422 O OG1 . THR A 1 183 ? 0.834 5.266 9.663 1.00 24.39 ? 183 THR A OG1 1 ATOM 1423 C CG2 . THR A 1 183 ? 2.578 6.396 10.857 1.00 20.69 ? 183 THR A CG2 1 ATOM 1424 N N . LEU A 1 184 ? 4.625 3.950 11.866 1.00 15.99 ? 184 LEU A N 1 ATOM 1425 C CA . LEU A 1 184 ? 5.604 4.146 12.926 1.00 15.17 ? 184 LEU A CA 1 ATOM 1426 C C . LEU A 1 184 ? 5.983 5.622 12.935 1.00 17.91 ? 184 LEU A C 1 ATOM 1427 O O . LEU A 1 184 ? 6.497 6.131 11.934 1.00 18.60 ? 184 LEU A O 1 ATOM 1428 C CB . LEU A 1 184 ? 6.831 3.261 12.705 1.00 16.05 ? 184 LEU A CB 1 ATOM 1429 C CG . LEU A 1 184 ? 7.906 3.285 13.793 1.00 18.89 ? 184 LEU A CG 1 ATOM 1430 C CD1 . LEU A 1 184 ? 7.383 2.727 15.113 1.00 17.62 ? 184 LEU A CD1 1 ATOM 1431 C CD2 . LEU A 1 184 ? 9.134 2.512 13.339 1.00 19.35 ? 184 LEU A CD2 1 ATOM 1432 N N . ASP A 1 185 ? 5.708 6.306 14.048 1.00 17.33 ? 185 ASP A N 1 ATOM 1433 C CA . ASP A 1 185 ? 5.932 7.741 14.199 1.00 19.09 ? 185 ASP A CA 1 ATOM 1434 C C . ASP A 1 185 ? 7.051 7.972 15.203 1.00 18.05 ? 185 ASP A C 1 ATOM 1435 O O . ASP A 1 185 ? 7.119 7.280 16.222 1.00 17.06 ? 185 ASP A O 1 ATOM 1436 C CB . ASP A 1 185 ? 4.675 8.458 14.719 1.00 18.37 ? 185 ASP A CB 1 ATOM 1437 C CG . ASP A 1 185 ? 3.547 8.484 13.716 1.00 34.77 ? 185 ASP A CG 1 ATOM 1438 O OD1 . ASP A 1 185 ? 3.777 8.791 12.533 1.00 37.33 ? 185 ASP A OD1 1 ATOM 1439 O OD2 . ASP A 1 185 ? 2.395 8.242 14.121 1.00 41.39 ? 185 ASP A OD2 1 ATOM 1440 N N . VAL A 1 186 ? 7.917 8.949 14.928 1.00 13.90 ? 186 VAL A N 1 ATOM 1441 C CA . VAL A 1 186 ? 8.932 9.387 15.882 1.00 13.56 ? 186 VAL A CA 1 ATOM 1442 C C . VAL A 1 186 ? 8.791 10.890 16.059 1.00 13.85 ? 186 VAL A C 1 ATOM 1443 O O . VAL A 1 186 ? 8.696 11.624 15.070 1.00 14.03 ? 186 VAL A O 1 ATOM 1444 C CB . VAL A 1 186 ? 10.364 9.053 15.420 1.00 15.60 ? 186 VAL A CB 1 ATOM 1445 C CG1 . VAL A 1 186 ? 11.378 9.530 16.447 1.00 12.83 ? 186 VAL A CG1 1 ATOM 1446 C CG2 . VAL A 1 186 ? 10.510 7.559 15.112 1.00 17.19 ? 186 VAL A CG2 1 ATOM 1447 N N . VAL A 1 187 ? 8.772 11.345 17.310 1.00 12.30 ? 187 VAL A N 1 ATOM 1448 C CA . VAL A 1 187 ? 8.834 12.769 17.627 1.00 13.66 ? 187 VAL A CA 1 ATOM 1449 C C . VAL A 1 187 ? 9.914 12.954 18.683 1.00 16.04 ? 187 VAL A C 1 ATOM 1450 O O . VAL A 1 187 ? 9.856 12.329 19.749 1.00 16.47 ? 187 VAL A O 1 ATOM 1451 C CB . VAL A 1 187 ? 7.489 13.325 18.127 1.00 15.98 ? 187 VAL A CB 1 ATOM 1452 C CG1 . VAL A 1 187 ? 7.629 14.807 18.487 1.00 19.68 ? 187 VAL A CG1 1 ATOM 1453 C CG2 . VAL A 1 187 ? 6.399 13.113 17.082 1.00 17.70 ? 187 VAL A CG2 1 ATOM 1454 N N . ALA A 1 188 ? 10.904 13.792 18.386 1.00 12.82 ? 188 ALA A N 1 ATOM 1455 C CA . ALA A 1 188 ? 11.986 14.083 19.316 1.00 13.24 ? 188 ALA A CA 1 ATOM 1456 C C . ALA A 1 188 ? 12.040 15.583 19.562 1.00 14.88 ? 188 ALA A C 1 ATOM 1457 O O . ALA A 1 188 ? 11.791 16.376 18.650 1.00 14.60 ? 188 ALA A O 1 ATOM 1458 C CB . ALA A 1 188 ? 13.337 13.579 18.779 1.00 10.50 ? 188 ALA A CB 1 ATOM 1459 N N . THR A 1 189 ? 12.351 15.980 20.795 1.00 12.46 ? 189 THR A N 1 ATOM 1460 C CA . THR A 1 189 ? 12.418 17.399 21.109 1.00 13.81 ? 189 THR A CA 1 ATOM 1461 C C . THR A 1 189 ? 13.620 17.687 21.984 1.00 17.01 ? 189 THR A C 1 ATOM 1462 O O . THR A 1 189 ? 13.931 16.928 22.907 1.00 15.06 ? 189 THR A O 1 ATOM 1463 C CB . THR A 1 189 ? 11.158 17.907 21.828 1.00 18.40 ? 189 THR A CB 1 ATOM 1464 O OG1 . THR A 1 189 ? 11.072 17.288 23.115 1.00 23.44 ? 189 THR A OG1 1 ATOM 1465 C CG2 . THR A 1 189 ? 9.903 17.594 21.023 1.00 17.03 ? 189 THR A CG2 1 ATOM 1466 N N . TYR A 1 190 ? 14.278 18.787 21.688 1.00 14.51 ? 190 TYR A N 1 ATOM 1467 C CA . TYR A 1 190 ? 15.297 19.403 22.519 1.00 16.49 ? 190 TYR A CA 1 ATOM 1468 C C . TYR A 1 190 ? 14.638 20.385 23.486 1.00 16.52 ? 190 TYR A C 1 ATOM 1469 O O . TYR A 1 190 ? 13.476 20.760 23.301 1.00 17.78 ? 190 TYR A O 1 ATOM 1470 C CB . TYR A 1 190 ? 16.329 20.104 21.629 1.00 15.09 ? 190 TYR A CB 1 ATOM 1471 C CG . TYR A 1 190 ? 17.498 19.226 21.241 1.00 15.17 ? 190 TYR A CG 1 ATOM 1472 C CD1 . TYR A 1 190 ? 18.123 18.405 22.181 1.00 12.72 ? 190 TYR A CD1 1 ATOM 1473 C CD2 . TYR A 1 190 ? 17.986 19.224 19.937 1.00 15.24 ? 190 TYR A CD2 1 ATOM 1474 C CE1 . TYR A 1 190 ? 19.216 17.596 21.818 1.00 14.81 ? 190 TYR A CE1 1 ATOM 1475 C CE2 . TYR A 1 190 ? 19.072 18.425 19.570 1.00 14.47 ? 190 TYR A CE2 1 ATOM 1476 C CZ . TYR A 1 190 ? 19.678 17.620 20.513 1.00 15.04 ? 190 TYR A CZ 1 ATOM 1477 O OH . TYR A 1 190 ? 20.739 16.835 20.150 1.00 16.23 ? 190 TYR A OH 1 ATOM 1478 N N . PRO A 1 191 ? 15.342 20.814 24.544 1.00 18.25 ? 191 PRO A N 1 ATOM 1479 C CA . PRO A 1 191 ? 14.671 21.597 25.599 1.00 17.28 ? 191 PRO A CA 1 ATOM 1480 C C . PRO A 1 191 ? 14.137 22.948 25.145 1.00 20.94 ? 191 PRO A C 1 ATOM 1481 O O . PRO A 1 191 ? 13.296 23.519 25.848 1.00 19.10 ? 191 PRO A O 1 ATOM 1482 C CB . PRO A 1 191 ? 15.761 21.784 26.665 1.00 18.15 ? 191 PRO A CB 1 ATOM 1483 C CG . PRO A 1 191 ? 16.845 20.849 26.323 1.00 26.27 ? 191 PRO A CG 1 ATOM 1484 C CD . PRO A 1 191 ? 16.754 20.542 24.868 1.00 17.22 ? 191 PRO A CD 1 ATOM 1485 N N . ASP A 1 192 ? 14.598 23.485 24.021 1.00 14.22 ? 192 ASP A N 1 ATOM 1486 C CA . ASP A 1 192 ? 14.106 24.755 23.503 1.00 15.35 ? 192 ASP A CA 1 ATOM 1487 C C . ASP A 1 192 ? 12.866 24.604 22.640 1.00 18.55 ? 192 ASP A C 1 ATOM 1488 O O . ASP A 1 192 ? 12.450 25.576 21.999 1.00 20.19 ? 192 ASP A O 1 ATOM 1489 C CB . ASP A 1 192 ? 15.197 25.451 22.683 1.00 16.37 ? 192 ASP A CB 1 ATOM 1490 C CG . ASP A 1 192 ? 15.735 24.574 21.558 1.00 17.62 ? 192 ASP A CG 1 ATOM 1491 O OD1 . ASP A 1 192 ? 15.227 23.442 21.377 1.00 17.37 ? 192 ASP A OD1 1 ATOM 1492 O OD2 . ASP A 1 192 ? 16.673 25.020 20.861 1.00 15.26 ? 192 ASP A OD2 1 ATOM 1493 N N . GLY A 1 193 ? 12.287 23.411 22.576 1.00 17.94 ? 193 GLY A N 1 ATOM 1494 C CA . GLY A 1 193 ? 11.154 23.177 21.712 1.00 17.93 ? 193 GLY A CA 1 ATOM 1495 C C . GLY A 1 193 ? 11.479 22.793 20.282 1.00 19.54 ? 193 GLY A C 1 ATOM 1496 O O . GLY A 1 193 ? 10.550 22.511 19.514 1.00 19.43 ? 193 GLY A O 1 ATOM 1497 N N . GLN A 1 194 ? 12.752 22.776 19.886 1.00 14.46 ? 194 GLN A N 1 ATOM 1498 C CA . GLN A 1 194 ? 13.075 22.308 18.542 1.00 15.16 ? 194 GLN A CA 1 ATOM 1499 C C . GLN A 1 194 ? 12.657 20.851 18.413 1.00 18.59 ? 194 GLN A C 1 ATOM 1500 O O . GLN A 1 194 ? 12.913 20.037 19.304 1.00 16.16 ? 194 GLN A O 1 ATOM 1501 C CB . GLN A 1 194 ? 14.566 22.478 18.246 1.00 14.94 ? 194 GLN A CB 1 ATOM 1502 C CG . GLN A 1 194 ? 14.990 23.937 18.088 1.00 21.04 ? 194 GLN A CG 1 ATOM 1503 C CD . GLN A 1 194 ? 14.366 24.606 16.864 1.00 25.19 ? 194 GLN A CD 1 ATOM 1504 O OE1 . GLN A 1 194 ? 13.754 25.681 16.963 1.00 23.84 ? 194 GLN A OE1 1 ATOM 1505 N NE2 . GLN A 1 194 ? 14.523 23.973 15.704 1.00 15.65 ? 194 GLN A NE2 1 ATOM 1506 N N . ARG A 1 195 ? 12.001 20.527 17.302 1.00 16.08 ? 195 ARG A N 1 ATOM 1507 C CA . ARG A 1 195 ? 11.249 19.290 17.177 1.00 16.23 ? 195 ARG A CA 1 ATOM 1508 C C . ARG A 1 195 ? 11.648 18.565 15.898 1.00 18.80 ? 195 ARG A C 1 ATOM 1509 O O . ARG A 1 195 ? 11.892 19.194 14.862 1.00 17.07 ? 195 ARG A O 1 ATOM 1510 C CB . ARG A 1 195 ? 9.748 19.609 17.212 1.00 19.92 ? 195 ARG A CB 1 ATOM 1511 C CG . ARG A 1 195 ? 8.808 18.507 16.777 1.00 30.11 ? 195 ARG A CG 1 ATOM 1512 C CD . ARG A 1 195 ? 7.361 19.012 16.828 1.00 29.07 ? 195 ARG A CD 1 ATOM 1513 N NE . ARG A 1 195 ? 6.760 18.748 18.126 1.00 40.49 ? 195 ARG A NE 1 ATOM 1514 C CZ . ARG A 1 195 ? 5.811 17.844 18.332 1.00 38.99 ? 195 ARG A CZ 1 ATOM 1515 N NH1 . ARG A 1 195 ? 5.340 17.131 17.314 1.00 32.96 ? 195 ARG A NH1 1 ATOM 1516 N NH2 . ARG A 1 195 ? 5.329 17.660 19.556 1.00 43.76 ? 195 ARG A NH2 1 ATOM 1517 N N . TYR A 1 196 ? 11.734 17.241 15.981 1.00 13.60 ? 196 TYR A N 1 ATOM 1518 C CA . TYR A 1 196 ? 12.129 16.396 14.864 1.00 16.23 ? 196 TYR A CA 1 ATOM 1519 C C . TYR A 1 196 ? 11.071 15.326 14.699 1.00 17.57 ? 196 TYR A C 1 ATOM 1520 O O . TYR A 1 196 ? 10.750 14.625 15.662 1.00 18.22 ? 196 TYR A O 1 ATOM 1521 C CB . TYR A 1 196 ? 13.505 15.756 15.107 1.00 12.87 ? 196 TYR A CB 1 ATOM 1522 C CG . TYR A 1 196 ? 14.532 16.779 15.516 1.00 16.28 ? 196 TYR A CG 1 ATOM 1523 C CD1 . TYR A 1 196 ? 14.695 17.130 16.854 1.00 15.70 ? 196 TYR A CD1 1 ATOM 1524 C CD2 . TYR A 1 196 ? 15.309 17.427 14.565 1.00 14.32 ? 196 TYR A CD2 1 ATOM 1525 C CE1 . TYR A 1 196 ? 15.611 18.082 17.231 1.00 13.10 ? 196 TYR A CE1 1 ATOM 1526 C CE2 . TYR A 1 196 ? 16.232 18.385 14.933 1.00 12.47 ? 196 TYR A CE2 1 ATOM 1527 C CZ . TYR A 1 196 ? 16.379 18.707 16.266 1.00 15.33 ? 196 TYR A CZ 1 ATOM 1528 O OH . TYR A 1 196 ? 17.291 19.658 16.647 1.00 14.62 ? 196 TYR A OH 1 ATOM 1529 N N . GLN A 1 197 ? 10.515 15.210 13.498 1.00 15.89 ? 197 GLN A N 1 ATOM 1530 C CA . GLN A 1 197 ? 9.438 14.260 13.252 1.00 14.77 ? 197 GLN A CA 1 ATOM 1531 C C . GLN A 1 197 ? 9.780 13.406 12.047 1.00 18.28 ? 197 GLN A C 1 ATOM 1532 O O . GLN A 1 197 ? 10.183 13.924 10.999 1.00 16.58 ? 197 GLN A O 1 ATOM 1533 C CB . GLN A 1 197 ? 8.100 14.968 13.017 1.00 18.91 ? 197 GLN A CB 1 ATOM 1534 C CG . GLN A 1 197 ? 7.639 15.817 14.178 1.00 23.86 ? 197 GLN A CG 1 ATOM 1535 C CD . GLN A 1 197 ? 6.314 16.508 13.890 1.00 37.15 ? 197 GLN A CD 1 ATOM 1536 O OE1 . GLN A 1 197 ? 5.859 17.344 14.667 1.00 40.18 ? 197 GLN A OE1 1 ATOM 1537 N NE2 . GLN A 1 197 ? 5.688 16.152 12.774 1.00 33.56 ? 197 GLN A NE2 1 ATOM 1538 N N . ILE A 1 198 ? 9.602 12.101 12.199 1.00 14.27 ? 198 ILE A N 1 ATOM 1539 C CA . ILE A 1 198 ? 9.843 11.168 11.118 1.00 15.83 ? 198 ILE A CA 1 ATOM 1540 C C . ILE A 1 198 ? 8.816 10.054 11.236 1.00 17.42 ? 198 ILE A C 1 ATOM 1541 O O . ILE A 1 198 ? 8.510 9.599 12.341 1.00 15.48 ? 198 ILE A O 1 ATOM 1542 C CB . ILE A 1 198 ? 11.299 10.652 11.161 1.00 21.83 ? 198 ILE A CB 1 ATOM 1543 C CG1 . ILE A 1 198 ? 11.480 9.577 10.131 1.00 24.43 ? 198 ILE A CG1 1 ATOM 1544 C CG2 . ILE A 1 198 ? 11.678 10.133 12.502 1.00 25.99 ? 198 ILE A CG2 1 ATOM 1545 C CD1 . ILE A 1 198 ? 11.313 10.152 8.875 1.00 31.73 ? 198 ILE A CD1 1 ATOM 1546 N N . SER A 1 199 ? 8.230 9.656 10.106 1.00 17.48 ? 199 SER A N 1 ATOM 1547 C CA . SER A 1 199 ? 7.234 8.601 10.162 1.00 18.94 ? 199 SER A CA 1 ATOM 1548 C C . SER A 1 199 ? 7.238 7.802 8.869 1.00 22.54 ? 199 SER A C 1 ATOM 1549 O O . SER A 1 199 ? 7.476 8.334 7.780 1.00 18.21 ? 199 SER A O 1 ATOM 1550 C CB . SER A 1 199 ? 5.841 9.162 10.444 1.00 23.93 ? 199 SER A CB 1 ATOM 1551 O OG . SER A 1 199 ? 5.182 9.546 9.271 1.00 31.65 ? 199 SER A OG 1 ATOM 1552 N N . VAL A 1 200 ? 6.955 6.514 9.012 1.00 15.67 ? 200 VAL A N 1 ATOM 1553 C CA . VAL A 1 200 ? 7.030 5.555 7.921 1.00 18.66 ? 200 VAL A CA 1 ATOM 1554 C C . VAL A 1 200 ? 5.830 4.625 8.031 1.00 20.25 ? 200 VAL A C 1 ATOM 1555 O O . VAL A 1 200 ? 5.425 4.246 9.135 1.00 17.85 ? 200 VAL A O 1 ATOM 1556 C CB . VAL A 1 200 ? 8.364 4.775 7.975 1.00 21.08 ? 200 VAL A CB 1 ATOM 1557 C CG1 . VAL A 1 200 ? 8.298 3.515 7.160 1.00 29.96 ? 200 VAL A CG1 1 ATOM 1558 C CG2 . VAL A 1 200 ? 9.513 5.658 7.494 1.00 19.66 ? 200 VAL A CG2 1 ATOM 1559 N N . VAL A 1 201 ? 5.245 4.279 6.890 1.00 19.04 ? 201 VAL A N 1 ATOM 1560 C CA . VAL A 1 201 ? 4.259 3.207 6.836 1.00 14.10 ? 201 VAL A CA 1 ATOM 1561 C C . VAL A 1 201 ? 5.007 1.880 6.765 1.00 21.01 ? 201 VAL A C 1 ATOM 1562 O O . VAL A 1 201 ? 5.837 1.668 5.877 1.00 17.38 ? 201 VAL A O 1 ATOM 1563 C CB . VAL A 1 201 ? 3.317 3.385 5.639 1.00 20.66 ? 201 VAL A CB 1 ATOM 1564 C CG1 . VAL A 1 201 ? 2.392 2.174 5.499 1.00 21.09 ? 201 VAL A CG1 1 ATOM 1565 C CG2 . VAL A 1 201 ? 2.511 4.665 5.813 1.00 23.77 ? 201 VAL A CG2 1 ATOM 1566 N N . VAL A 1 202 ? 4.735 0.991 7.714 1.00 14.47 ? 202 VAL A N 1 ATOM 1567 C CA . VAL A 1 202 ? 5.447 -0.280 7.773 1.00 16.79 ? 202 VAL A CA 1 ATOM 1568 C C . VAL A 1 202 ? 4.535 -1.305 8.429 1.00 17.04 ? 202 VAL A C 1 ATOM 1569 O O . VAL A 1 202 ? 3.952 -1.047 9.488 1.00 16.48 ? 202 VAL A O 1 ATOM 1570 C CB . VAL A 1 202 ? 6.796 -0.157 8.519 1.00 18.47 ? 202 VAL A CB 1 ATOM 1571 C CG1 . VAL A 1 202 ? 6.608 0.394 9.931 1.00 15.85 ? 202 VAL A CG1 1 ATOM 1572 C CG2 . VAL A 1 202 ? 7.531 -1.497 8.547 1.00 21.17 ? 202 VAL A CG2 1 ATOM 1573 N N . ASP A 1 203 ? 4.388 -2.455 7.777 1.00 16.96 ? 203 ASP A N 1 ATOM 1574 C CA . ASP A 1 203 ? 3.615 -3.579 8.308 1.00 18.35 ? 203 ASP A CA 1 ATOM 1575 C C . ASP A 1 203 ? 4.563 -4.430 9.140 1.00 14.67 ? 203 ASP A C 1 ATOM 1576 O O . ASP A 1 203 ? 5.371 -5.184 8.592 1.00 17.71 ? 203 ASP A O 1 ATOM 1577 C CB . ASP A 1 203 ? 3.009 -4.394 7.168 1.00 18.67 ? 203 ASP A CB 1 ATOM 1578 C CG . ASP A 1 203 ? 2.155 -5.556 7.653 1.00 23.54 ? 203 ASP A CG 1 ATOM 1579 O OD1 . ASP A 1 203 ? 2.118 -5.833 8.880 1.00 18.70 ? 203 ASP A OD1 1 ATOM 1580 O OD2 . ASP A 1 203 ? 1.527 -6.203 6.783 1.00 20.06 ? 203 ASP A OD2 1 ATOM 1581 N N . VAL A 1 204 ? 4.460 -4.330 10.469 1.00 14.77 ? 204 VAL A N 1 ATOM 1582 C CA . VAL A 1 204 ? 5.409 -5.044 11.312 1.00 16.92 ? 204 VAL A CA 1 ATOM 1583 C C . VAL A 1 204 ? 5.313 -6.549 11.123 1.00 16.71 ? 204 VAL A C 1 ATOM 1584 O O . VAL A 1 204 ? 6.272 -7.259 11.430 1.00 16.83 ? 204 VAL A O 1 ATOM 1585 C CB . VAL A 1 204 ? 5.242 -4.692 12.812 1.00 18.24 ? 204 VAL A CB 1 ATOM 1586 C CG1 . VAL A 1 204 ? 5.603 -3.233 13.082 1.00 16.93 ? 204 VAL A CG1 1 ATOM 1587 C CG2 . VAL A 1 204 ? 3.851 -5.046 13.305 1.00 15.20 ? 204 VAL A CG2 1 ATOM 1588 N N . THR A 1 205 ? 4.183 -7.062 10.620 1.00 14.40 ? 205 THR A N 1 ATOM 1589 C CA . THR A 1 205 ? 4.073 -8.514 10.466 1.00 16.43 ? 205 THR A CA 1 ATOM 1590 C C . THR A 1 205 ? 4.910 -9.045 9.312 1.00 18.70 ? 205 THR A C 1 ATOM 1591 O O . THR A 1 205 ? 5.074 -10.265 9.198 1.00 17.82 ? 205 THR A O 1 ATOM 1592 C CB . THR A 1 205 ? 2.610 -8.962 10.271 1.00 17.78 ? 205 THR A CB 1 ATOM 1593 O OG1 . THR A 1 205 ? 2.129 -8.579 8.970 1.00 17.19 ? 205 THR A OG1 1 ATOM 1594 C CG2 . THR A 1 205 ? 1.705 -8.383 11.358 1.00 15.68 ? 205 THR A CG2 1 ATOM 1595 N N . THR A 1 206 ? 5.430 -8.177 8.450 1.00 16.97 ? 206 THR A N 1 ATOM 1596 C CA . THR A 1 206 ? 6.293 -8.617 7.366 1.00 17.01 ? 206 THR A CA 1 ATOM 1597 C C . THR A 1 206 ? 7.762 -8.320 7.621 1.00 20.96 ? 206 THR A C 1 ATOM 1598 O O . THR A 1 206 ? 8.604 -8.715 6.812 1.00 20.56 ? 206 THR A O 1 ATOM 1599 C CB . THR A 1 206 ? 5.870 -7.967 6.041 1.00 20.25 ? 206 THR A CB 1 ATOM 1600 O OG1 . THR A 1 206 ? 6.126 -6.559 6.104 1.00 20.93 ? 206 THR A OG1 1 ATOM 1601 C CG2 . THR A 1 206 ? 4.394 -8.196 5.769 1.00 18.74 ? 206 THR A CG2 1 ATOM 1602 N N . VAL A 1 207 ? 8.106 -7.653 8.719 1.00 16.28 ? 207 VAL A N 1 ATOM 1603 C CA . VAL A 1 207 ? 9.500 -7.299 8.955 1.00 17.34 ? 207 VAL A CA 1 ATOM 1604 C C . VAL A 1 207 ? 10.090 -7.938 10.207 1.00 15.52 ? 207 VAL A C 1 ATOM 1605 O O . VAL A 1 207 ? 11.323 -7.983 10.332 1.00 14.17 ? 207 VAL A O 1 ATOM 1606 C CB . VAL A 1 207 ? 9.683 -5.766 8.996 1.00 24.29 ? 207 VAL A CB 1 ATOM 1607 C CG1 . VAL A 1 207 ? 9.258 -5.160 7.659 1.00 24.94 ? 207 VAL A CG1 1 ATOM 1608 C CG2 . VAL A 1 207 ? 8.874 -5.164 10.103 1.00 22.33 ? 207 VAL A CG2 1 ATOM 1609 N N . LEU A 1 208 ? 9.282 -8.450 11.125 1.00 15.63 ? 208 LEU A N 1 ATOM 1610 C CA . LEU A 1 208 ? 9.751 -8.975 12.398 1.00 14.80 ? 208 LEU A CA 1 ATOM 1611 C C . LEU A 1 208 ? 8.973 -10.233 12.753 1.00 14.45 ? 208 LEU A C 1 ATOM 1612 O O . LEU A 1 208 ? 7.847 -10.428 12.279 1.00 14.34 ? 208 LEU A O 1 ATOM 1613 C CB . LEU A 1 208 ? 9.588 -7.931 13.511 1.00 13.59 ? 208 LEU A CB 1 ATOM 1614 C CG . LEU A 1 208 ? 10.635 -6.811 13.540 1.00 15.51 ? 208 LEU A CG 1 ATOM 1615 C CD1 . LEU A 1 208 ? 10.149 -5.707 14.451 1.00 17.76 ? 208 LEU A CD1 1 ATOM 1616 C CD2 . LEU A 1 208 ? 11.989 -7.327 14.000 1.00 15.99 ? 208 LEU A CD2 1 ATOM 1617 N N . PRO A 1 209 ? 9.536 -11.096 13.598 1.00 16.53 ? 209 PRO A N 1 ATOM 1618 C CA . PRO A 1 209 ? 8.795 -12.281 14.037 1.00 13.88 ? 209 PRO A CA 1 ATOM 1619 C C . PRO A 1 209 ? 7.682 -11.896 15.004 1.00 13.64 ? 209 PRO A C 1 ATOM 1620 O O . PRO A 1 209 ? 7.547 -10.744 15.429 1.00 13.46 ? 209 PRO A O 1 ATOM 1621 C CB . PRO A 1 209 ? 9.861 -13.157 14.715 1.00 13.97 ? 209 PRO A CB 1 ATOM 1622 C CG . PRO A 1 209 ? 10.932 -12.207 15.114 1.00 17.80 ? 209 PRO A CG 1 ATOM 1623 C CD . PRO A 1 209 ? 10.909 -11.066 14.128 1.00 14.75 ? 209 PRO A CD 1 ATOM 1624 N N . GLU A 1 210 ? 6.872 -12.897 15.349 1.00 11.38 ? 210 GLU A N 1 ATOM 1625 C CA . GLU A 1 210 ? 5.725 -12.675 16.230 1.00 12.10 ? 210 GLU A CA 1 ATOM 1626 C C . GLU A 1 210 ? 6.148 -12.234 17.630 1.00 13.11 ? 210 GLU A C 1 ATOM 1627 O O . GLU A 1 210 ? 5.484 -11.392 18.252 1.00 13.23 ? 210 GLU A O 1 ATOM 1628 C CB . GLU A 1 210 ? 4.879 -13.940 16.316 1.00 12.40 ? 210 GLU A CB 1 ATOM 1629 C CG . GLU A 1 210 ? 4.126 -14.264 15.037 1.00 13.56 ? 210 GLU A CG 1 ATOM 1630 C CD . GLU A 1 210 ? 3.345 -15.555 15.176 1.00 14.03 ? 210 GLU A CD 1 ATOM 1631 O OE1 . GLU A 1 210 ? 3.842 -16.609 14.723 1.00 15.53 ? 210 GLU A OE1 1 ATOM 1632 O OE2 . GLU A 1 210 ? 2.250 -15.516 15.770 1.00 16.48 ? 210 GLU A OE2 1 ATOM 1633 N N . TRP A 1 211 ? 7.227 -12.810 18.154 1.00 11.06 ? 211 TRP A N 1 ATOM 1634 C CA . TRP A 1 211 ? 7.786 -12.423 19.445 1.00 12.78 ? 211 TRP A CA 1 ATOM 1635 C C . TRP A 1 211 ? 9.062 -11.616 19.230 1.00 12.05 ? 211 TRP A C 1 ATOM 1636 O O . TRP A 1 211 ? 9.888 -11.970 18.380 1.00 12.43 ? 211 TRP A O 1 ATOM 1637 C CB . TRP A 1 211 ? 8.117 -13.646 20.314 1.00 12.78 ? 211 TRP A CB 1 ATOM 1638 C CG . TRP A 1 211 ? 6.955 -14.478 20.775 1.00 13.44 ? 211 TRP A CG 1 ATOM 1639 C CD1 . TRP A 1 211 ? 6.433 -15.572 20.145 1.00 13.32 ? 211 TRP A CD1 1 ATOM 1640 C CD2 . TRP A 1 211 ? 6.193 -14.308 21.984 1.00 12.15 ? 211 TRP A CD2 1 ATOM 1641 N NE1 . TRP A 1 211 ? 5.397 -16.086 20.879 1.00 13.64 ? 211 TRP A NE1 1 ATOM 1642 C CE2 . TRP A 1 211 ? 5.228 -15.334 22.012 1.00 10.44 ? 211 TRP A CE2 1 ATOM 1643 C CE3 . TRP A 1 211 ? 6.231 -13.385 23.036 1.00 11.11 ? 211 TRP A CE3 1 ATOM 1644 C CZ2 . TRP A 1 211 ? 4.299 -15.464 23.052 1.00 11.55 ? 211 TRP A CZ2 1 ATOM 1645 C CZ3 . TRP A 1 211 ? 5.316 -13.517 24.076 1.00 13.67 ? 211 TRP A CZ3 1 ATOM 1646 C CH2 . TRP A 1 211 ? 4.362 -14.558 24.076 1.00 12.44 ? 211 TRP A CH2 1 ATOM 1647 N N . VAL A 1 212 ? 9.242 -10.558 20.034 1.00 10.86 ? 212 VAL A N 1 ATOM 1648 C CA . VAL A 1 212 ? 10.394 -9.667 19.923 1.00 11.17 ? 212 VAL A CA 1 ATOM 1649 C C . VAL A 1 212 ? 10.860 -9.239 21.311 1.00 13.12 ? 212 VAL A C 1 ATOM 1650 O O . VAL A 1 212 ? 10.149 -9.382 22.310 1.00 11.85 ? 212 VAL A O 1 ATOM 1651 C CB . VAL A 1 212 ? 10.095 -8.391 19.090 1.00 12.37 ? 212 VAL A CB 1 ATOM 1652 C CG1 . VAL A 1 212 ? 9.737 -8.732 17.639 1.00 15.49 ? 212 VAL A CG1 1 ATOM 1653 C CG2 . VAL A 1 212 ? 8.991 -7.559 19.759 1.00 12.32 ? 212 VAL A CG2 1 ATOM 1654 N N . ARG A 1 213 ? 12.066 -8.678 21.357 1.00 11.11 ? 213 ARG A N 1 ATOM 1655 C CA . ARG A 1 213 ? 12.490 -7.886 22.502 1.00 11.01 ? 213 ARG A CA 1 ATOM 1656 C C . ARG A 1 213 ? 12.757 -6.462 22.031 1.00 15.11 ? 213 ARG A C 1 ATOM 1657 O O . ARG A 1 213 ? 13.032 -6.220 20.848 1.00 12.18 ? 213 ARG A O 1 ATOM 1658 C CB . ARG A 1 213 ? 13.725 -8.485 23.193 1.00 9.87 ? 213 ARG A CB 1 ATOM 1659 C CG . ARG A 1 213 ? 13.346 -9.679 24.093 1.00 11.86 ? 213 ARG A CG 1 ATOM 1660 C CD . ARG A 1 213 ? 14.545 -10.403 24.652 1.00 13.02 ? 213 ARG A CD 1 ATOM 1661 N NE . ARG A 1 213 ? 14.218 -11.121 25.887 1.00 14.04 ? 213 ARG A NE 1 ATOM 1662 C CZ . ARG A 1 213 ? 14.909 -12.156 26.354 1.00 14.48 ? 213 ARG A CZ 1 ATOM 1663 N NH1 . ARG A 1 213 ? 15.941 -12.626 25.669 1.00 15.36 ? 213 ARG A NH1 1 ATOM 1664 N NH2 . ARG A 1 213 ? 14.567 -12.718 27.511 1.00 14.65 ? 213 ARG A NH2 1 ATOM 1665 N N . VAL A 1 214 ? 12.643 -5.517 22.960 1.00 11.03 ? 214 VAL A N 1 ATOM 1666 C CA . VAL A 1 214 ? 12.843 -4.102 22.669 1.00 11.59 ? 214 VAL A CA 1 ATOM 1667 C C . VAL A 1 214 ? 14.015 -3.592 23.502 1.00 12.10 ? 214 VAL A C 1 ATOM 1668 O O . VAL A 1 214 ? 14.301 -4.110 24.588 1.00 10.74 ? 214 VAL A O 1 ATOM 1669 C CB . VAL A 1 214 ? 11.560 -3.267 22.927 1.00 12.52 ? 214 VAL A CB 1 ATOM 1670 C CG1 . VAL A 1 214 ? 10.439 -3.713 21.997 1.00 11.73 ? 214 VAL A CG1 1 ATOM 1671 C CG2 . VAL A 1 214 ? 11.108 -3.363 24.390 1.00 11.76 ? 214 VAL A CG2 1 ATOM 1672 N N . GLY A 1 215 ? 14.700 -2.578 22.987 1.00 11.82 ? 215 GLY A N 1 ATOM 1673 C CA . GLY A 1 215 ? 15.864 -2.056 23.689 1.00 11.17 ? 215 GLY A CA 1 ATOM 1674 C C . GLY A 1 215 ? 16.579 -0.972 22.910 1.00 13.58 ? 215 GLY A C 1 ATOM 1675 O O . GLY A 1 215 ? 15.993 -0.302 22.055 1.00 10.73 ? 215 GLY A O 1 ATOM 1676 N N . PHE A 1 216 ? 17.866 -0.811 23.227 1.00 11.13 ? 216 PHE A N 1 ATOM 1677 C CA . PHE A 1 216 ? 18.700 0.246 22.673 1.00 10.80 ? 216 PHE A CA 1 ATOM 1678 C C . PHE A 1 216 ? 20.066 -0.307 22.314 1.00 12.06 ? 216 PHE A C 1 ATOM 1679 O O . PHE A 1 216 ? 20.563 -1.239 22.948 1.00 12.48 ? 216 PHE A O 1 ATOM 1680 C CB . PHE A 1 216 ? 18.875 1.403 23.659 1.00 9.86 ? 216 PHE A CB 1 ATOM 1681 C CG . PHE A 1 216 ? 17.599 2.087 23.984 1.00 11.57 ? 216 PHE A CG 1 ATOM 1682 C CD1 . PHE A 1 216 ? 16.801 1.623 25.012 1.00 12.63 ? 216 PHE A CD1 1 ATOM 1683 C CD2 . PHE A 1 216 ? 17.171 3.168 23.234 1.00 12.16 ? 216 PHE A CD2 1 ATOM 1684 C CE1 . PHE A 1 216 ? 15.602 2.241 25.301 1.00 12.87 ? 216 PHE A CE1 1 ATOM 1685 C CE2 . PHE A 1 216 ? 15.971 3.782 23.510 1.00 13.34 ? 216 PHE A CE2 1 ATOM 1686 C CZ . PHE A 1 216 ? 15.190 3.325 24.551 1.00 12.80 ? 216 PHE A CZ 1 ATOM 1687 N N . SER A 1 217 ? 20.677 0.294 21.300 1.00 10.95 ? 217 SER A N 1 ATOM 1688 C CA . SER A 1 217 ? 21.999 -0.102 20.843 1.00 11.32 ? 217 SER A CA 1 ATOM 1689 C C . SER A 1 217 ? 22.796 1.156 20.546 1.00 12.43 ? 217 SER A C 1 ATOM 1690 O O . SER A 1 217 ? 22.231 2.172 20.138 1.00 11.87 ? 217 SER A O 1 ATOM 1691 C CB . SER A 1 217 ? 21.910 -0.994 19.594 1.00 11.96 ? 217 SER A CB 1 ATOM 1692 O OG . SER A 1 217 ? 23.189 -1.436 19.173 1.00 12.57 ? 217 SER A OG 1 ATOM 1693 N N . ALA A 1 218 ? 24.108 1.089 20.763 1.00 9.06 ? 218 ALA A N 1 ATOM 1694 C CA . ALA A 1 218 ? 24.983 2.187 20.380 1.00 9.21 ? 218 ALA A CA 1 ATOM 1695 C C . ALA A 1 218 ? 26.365 1.630 20.093 1.00 13.36 ? 218 ALA A C 1 ATOM 1696 O O . ALA A 1 218 ? 26.713 0.526 20.525 1.00 11.59 ? 218 ALA A O 1 ATOM 1697 C CB . ALA A 1 218 ? 25.064 3.268 21.469 1.00 10.27 ? 218 ALA A CB 1 ATOM 1698 N N . ALA A 1 219 ? 27.159 2.410 19.363 1.00 11.02 ? 219 ALA A N 1 ATOM 1699 C CA . ALA A 1 219 ? 28.490 1.945 19.009 1.00 12.84 ? 219 ALA A CA 1 ATOM 1700 C C . ALA A 1 219 ? 29.373 3.138 18.685 1.00 11.25 ? 219 ALA A C 1 ATOM 1701 O O . ALA A 1 219 ? 28.891 4.236 18.385 1.00 10.62 ? 219 ALA A O 1 ATOM 1702 C CB . ALA A 1 219 ? 28.456 0.971 17.820 1.00 10.71 ? 219 ALA A CB 1 ATOM 1703 N N . SER A 1 220 ? 30.681 2.897 18.749 1.00 11.32 ? 220 SER A N 1 ATOM 1704 C CA . SER A 1 220 ? 31.688 3.830 18.269 1.00 12.89 ? 220 SER A CA 1 ATOM 1705 C C . SER A 1 220 ? 32.743 3.030 17.522 1.00 14.23 ? 220 SER A C 1 ATOM 1706 O O . SER A 1 220 ? 33.166 1.967 17.987 1.00 12.52 ? 220 SER A O 1 ATOM 1707 C CB . SER A 1 220 ? 32.359 4.623 19.411 1.00 13.20 ? 220 SER A CB 1 ATOM 1708 O OG . SER A 1 220 ? 31.446 5.466 20.113 1.00 12.08 ? 220 SER A OG 1 ATOM 1709 N N . GLY A 1 221 ? 33.152 3.539 16.360 1.00 12.49 ? 221 GLY A N 1 ATOM 1710 C CA . GLY A 1 221 ? 34.251 2.962 15.605 1.00 11.50 ? 221 GLY A CA 1 ATOM 1711 C C . GLY A 1 221 ? 35.541 3.715 15.863 1.00 13.39 ? 221 GLY A C 1 ATOM 1712 O O . GLY A 1 221 ? 36.027 3.756 16.997 1.00 14.91 ? 221 GLY A O 1 ATOM 1713 N N . GLU A 1 222 ? 36.095 4.342 14.822 1.00 13.14 ? 222 GLU A N 1 ATOM 1714 C CA . GLU A 1 222 ? 37.304 5.142 14.989 1.00 15.35 ? 222 GLU A CA 1 ATOM 1715 C C . GLU A 1 222 ? 37.021 6.487 15.664 1.00 17.10 ? 222 GLU A C 1 ATOM 1716 O O . GLU A 1 222 ? 37.901 7.036 16.338 1.00 18.10 ? 222 GLU A O 1 ATOM 1717 C CB . GLU A 1 222 ? 37.968 5.334 13.623 1.00 15.53 ? 222 GLU A CB 1 ATOM 1718 C CG . GLU A 1 222 ? 39.391 5.826 13.666 1.00 32.36 ? 222 GLU A CG 1 ATOM 1719 C CD . GLU A 1 222 ? 40.343 4.841 14.322 1.00 31.76 ? 222 GLU A CD 1 ATOM 1720 O OE1 . GLU A 1 222 ? 41.401 5.295 14.805 1.00 42.81 ? 222 GLU A OE1 1 ATOM 1721 O OE2 . GLU A 1 222 ? 40.040 3.626 14.359 1.00 28.85 ? 222 GLU A OE2 1 ATOM 1722 N N . GLN A 1 223 ? 35.816 7.030 15.508 1.00 13.50 ? 223 GLN A N 1 ATOM 1723 C CA . GLN A 1 223 ? 35.384 8.210 16.245 1.00 12.96 ? 223 GLN A CA 1 ATOM 1724 C C . GLN A 1 223 ? 34.454 7.770 17.371 1.00 16.14 ? 223 GLN A C 1 ATOM 1725 O O . GLN A 1 223 ? 33.823 6.715 17.284 1.00 13.34 ? 223 GLN A O 1 ATOM 1726 C CB . GLN A 1 223 ? 34.668 9.201 15.326 1.00 13.19 ? 223 GLN A CB 1 ATOM 1727 C CG . GLN A 1 223 ? 35.534 9.766 14.223 1.00 15.69 ? 223 GLN A CG 1 ATOM 1728 C CD . GLN A 1 223 ? 36.505 10.808 14.740 1.00 20.80 ? 223 GLN A CD 1 ATOM 1729 O OE1 . GLN A 1 223 ? 37.716 10.626 14.658 1.00 22.80 ? 223 GLN A OE1 1 ATOM 1730 N NE2 . GLN A 1 223 ? 35.978 11.909 15.276 1.00 16.50 ? 223 GLN A NE2 1 ATOM 1731 N N . PHE A 1 224 ? 34.356 8.577 18.429 1.00 14.51 ? 224 PHE A N 1 ATOM 1732 C CA . PHE A 1 224 ? 33.705 8.051 19.625 1.00 14.83 ? 224 PHE A CA 1 ATOM 1733 C C . PHE A 1 224 ? 32.942 9.130 20.381 1.00 13.85 ? 224 PHE A C 1 ATOM 1734 O O . PHE A 1 224 ? 33.090 10.330 20.135 1.00 16.68 ? 224 PHE A O 1 ATOM 1735 C CB . PHE A 1 224 ? 34.721 7.362 20.547 1.00 13.91 ? 224 PHE A CB 1 ATOM 1736 C CG . PHE A 1 224 ? 35.962 8.173 20.828 1.00 16.67 ? 224 PHE A CG 1 ATOM 1737 C CD1 . PHE A 1 224 ? 35.922 9.271 21.675 1.00 17.21 ? 224 PHE A CD1 1 ATOM 1738 C CD2 . PHE A 1 224 ? 37.182 7.803 20.275 1.00 20.30 ? 224 PHE A CD2 1 ATOM 1739 C CE1 . PHE A 1 224 ? 37.075 10.002 21.952 1.00 19.58 ? 224 PHE A CE1 1 ATOM 1740 C CE2 . PHE A 1 224 ? 38.335 8.528 20.547 1.00 20.56 ? 224 PHE A CE2 1 ATOM 1741 C CZ . PHE A 1 224 ? 38.280 9.624 21.388 1.00 19.60 ? 224 PHE A CZ 1 ATOM 1742 N N . GLN A 1 225 ? 32.111 8.667 21.317 1.00 12.34 ? 225 GLN A N 1 ATOM 1743 C CA . GLN A 1 225 ? 31.297 9.481 22.214 1.00 13.26 ? 225 GLN A CA 1 ATOM 1744 C C . GLN A 1 225 ? 30.621 8.533 23.195 1.00 13.44 ? 225 GLN A C 1 ATOM 1745 O O . GLN A 1 225 ? 30.447 7.346 22.905 1.00 12.51 ? 225 GLN A O 1 ATOM 1746 C CB . GLN A 1 225 ? 30.234 10.299 21.461 1.00 11.26 ? 225 GLN A CB 1 ATOM 1747 C CG . GLN A 1 225 ? 29.095 9.446 20.908 1.00 12.21 ? 225 GLN A CG 1 ATOM 1748 C CD . GLN A 1 225 ? 28.220 10.194 19.915 1.00 13.26 ? 225 GLN A CD 1 ATOM 1749 O OE1 . GLN A 1 225 ? 28.109 11.425 19.968 1.00 13.91 ? 225 GLN A OE1 1 ATOM 1750 N NE2 . GLN A 1 225 ? 27.596 9.450 18.996 1.00 12.54 ? 225 GLN A NE2 1 ATOM 1751 N N . THR A 1 226 ? 30.241 9.065 24.354 1.00 13.59 ? 226 THR A N 1 ATOM 1752 C CA . THR A 1 226 ? 29.404 8.296 25.259 1.00 12.50 ? 226 THR A CA 1 ATOM 1753 C C . THR A 1 226 ? 27.955 8.354 24.788 1.00 13.53 ? 226 THR A C 1 ATOM 1754 O O . THR A 1 226 ? 27.519 9.336 24.182 1.00 12.01 ? 226 THR A O 1 ATOM 1755 C CB . THR A 1 226 ? 29.506 8.814 26.695 1.00 12.34 ? 226 THR A CB 1 ATOM 1756 O OG1 . THR A 1 226 ? 29.108 10.193 26.750 1.00 12.47 ? 226 THR A OG1 1 ATOM 1757 C CG2 . THR A 1 226 ? 30.936 8.662 27.217 1.00 13.51 ? 226 THR A CG2 1 ATOM 1758 N N . HIS A 1 227 ? 27.213 7.277 25.052 1.00 9.78 ? 227 HIS A N 1 ATOM 1759 C CA . HIS A 1 227 ? 25.803 7.183 24.668 1.00 10.34 ? 227 HIS A CA 1 ATOM 1760 C C . HIS A 1 227 ? 25.016 6.842 25.926 1.00 13.22 ? 227 HIS A C 1 ATOM 1761 O O . HIS A 1 227 ? 25.087 5.706 26.410 1.00 11.82 ? 227 HIS A O 1 ATOM 1762 C CB . HIS A 1 227 ? 25.581 6.123 23.586 1.00 12.45 ? 227 HIS A CB 1 ATOM 1763 C CG . HIS A 1 227 ? 26.397 6.320 22.339 1.00 12.33 ? 227 HIS A CG 1 ATOM 1764 N ND1 . HIS A 1 227 ? 27.698 5.878 22.218 1.00 12.51 ? 227 HIS A ND1 1 ATOM 1765 C CD2 . HIS A 1 227 ? 26.076 6.876 21.145 1.00 10.94 ? 227 HIS A CD2 1 ATOM 1766 C CE1 . HIS A 1 227 ? 28.145 6.154 21.002 1.00 12.33 ? 227 HIS A CE1 1 ATOM 1767 N NE2 . HIS A 1 227 ? 27.180 6.762 20.331 1.00 11.45 ? 227 HIS A NE2 1 ATOM 1768 N N . ASN A 1 228 ? 24.261 7.816 26.442 1.00 10.86 ? 228 ASN A N 1 ATOM 1769 C CA . ASN A 1 228 ? 23.776 7.822 27.820 1.00 12.84 ? 228 ASN A CA 1 ATOM 1770 C C . ASN A 1 228 ? 22.257 7.886 27.829 1.00 12.88 ? 228 ASN A C 1 ATOM 1771 O O . ASN A 1 228 ? 21.677 8.921 27.492 1.00 13.16 ? 228 ASN A O 1 ATOM 1772 C CB . ASN A 1 228 ? 24.355 9.015 28.578 1.00 14.56 ? 228 ASN A CB 1 ATOM 1773 C CG . ASN A 1 228 ? 25.855 9.086 28.474 1.00 16.80 ? 228 ASN A CG 1 ATOM 1774 O OD1 . ASN A 1 228 ? 26.564 8.387 29.196 1.00 17.82 ? 228 ASN A OD1 1 ATOM 1775 N ND2 . ASN A 1 228 ? 26.352 9.923 27.570 1.00 12.76 ? 228 ASN A ND2 1 ATOM 1776 N N . LEU A 1 229 ? 21.614 6.802 28.246 1.00 10.57 ? 229 LEU A N 1 ATOM 1777 C CA . LEU A 1 229 ? 20.162 6.766 28.361 1.00 13.71 ? 229 LEU A CA 1 ATOM 1778 C C . LEU A 1 229 ? 19.758 7.129 29.787 1.00 16.46 ? 229 LEU A C 1 ATOM 1779 O O . LEU A 1 229 ? 20.266 6.541 30.745 1.00 16.52 ? 229 LEU A O 1 ATOM 1780 C CB . LEU A 1 229 ? 19.634 5.377 27.981 1.00 15.18 ? 229 LEU A CB 1 ATOM 1781 C CG . LEU A 1 229 ? 18.121 5.298 27.731 1.00 22.16 ? 229 LEU A CG 1 ATOM 1782 C CD1 . LEU A 1 229 ? 17.744 5.892 26.375 1.00 19.15 ? 229 LEU A CD1 1 ATOM 1783 C CD2 . LEU A 1 229 ? 17.627 3.845 27.845 1.00 24.94 ? 229 LEU A CD2 1 ATOM 1784 N N . GLU A 1 230 ? 18.851 8.103 29.933 1.00 12.96 ? 230 GLU A N 1 ATOM 1785 C CA . GLU A 1 230 ? 18.466 8.579 31.258 1.00 12.94 ? 230 GLU A CA 1 ATOM 1786 C C . GLU A 1 230 ? 17.175 7.968 31.773 1.00 15.48 ? 230 GLU A C 1 ATOM 1787 O O . GLU A 1 230 ? 17.025 7.820 32.991 1.00 13.45 ? 230 GLU A O 1 ATOM 1788 C CB . GLU A 1 230 ? 18.299 10.101 31.259 1.00 17.84 ? 230 GLU A CB 1 ATOM 1789 C CG . GLU A 1 230 ? 19.522 10.889 30.825 1.00 15.52 ? 230 GLU A CG 1 ATOM 1790 C CD . GLU A 1 230 ? 19.187 12.351 30.565 1.00 22.92 ? 230 GLU A CD 1 ATOM 1791 O OE1 . GLU A 1 230 ? 19.196 12.765 29.387 1.00 22.41 ? 230 GLU A OE1 1 ATOM 1792 O OE2 . GLU A 1 230 ? 18.888 13.075 31.534 1.00 26.01 ? 230 GLU A OE2 1 ATOM 1793 N N . SER A 1 231 ? 16.233 7.640 30.883 1.00 13.09 ? 231 SER A N 1 ATOM 1794 C CA . SER A 1 231 ? 14.910 7.184 31.289 1.00 14.38 ? 231 SER A CA 1 ATOM 1795 C C . SER A 1 231 ? 14.255 6.498 30.099 1.00 14.61 ? 231 SER A C 1 ATOM 1796 O O . SER A 1 231 ? 14.662 6.686 28.952 1.00 12.07 ? 231 SER A O 1 ATOM 1797 C CB . SER A 1 231 ? 14.037 8.345 31.783 1.00 16.08 ? 231 SER A CB 1 ATOM 1798 O OG . SER A 1 231 ? 13.753 9.235 30.714 1.00 18.29 ? 231 SER A OG 1 ATOM 1799 N N . TRP A 1 232 ? 13.226 5.704 30.390 1.00 13.86 ? 232 TRP A N 1 ATOM 1800 C CA . TRP A 1 232 ? 12.581 4.876 29.376 1.00 10.80 ? 232 TRP A CA 1 ATOM 1801 C C . TRP A 1 232 ? 11.281 4.313 29.919 1.00 15.04 ? 232 TRP A C 1 ATOM 1802 O O . TRP A 1 232 ? 11.259 3.739 31.012 1.00 12.97 ? 232 TRP A O 1 ATOM 1803 C CB . TRP A 1 232 ? 13.490 3.716 28.961 1.00 10.84 ? 232 TRP A CB 1 ATOM 1804 C CG . TRP A 1 232 ? 12.964 2.829 27.851 1.00 10.03 ? 232 TRP A CG 1 ATOM 1805 C CD1 . TRP A 1 232 ? 12.111 3.179 26.830 1.00 12.29 ? 232 TRP A CD1 1 ATOM 1806 C CD2 . TRP A 1 232 ? 13.281 1.441 27.648 1.00 12.05 ? 232 TRP A CD2 1 ATOM 1807 N NE1 . TRP A 1 232 ? 11.884 2.091 26.011 1.00 12.85 ? 232 TRP A NE1 1 ATOM 1808 C CE2 . TRP A 1 232 ? 12.596 1.017 26.488 1.00 14.07 ? 232 TRP A CE2 1 ATOM 1809 C CE3 . TRP A 1 232 ? 14.085 0.521 28.331 1.00 13.14 ? 232 TRP A CE3 1 ATOM 1810 C CZ2 . TRP A 1 232 ? 12.688 -0.294 26.000 1.00 13.85 ? 232 TRP A CZ2 1 ATOM 1811 C CZ3 . TRP A 1 232 ? 14.176 -0.778 27.848 1.00 12.01 ? 232 TRP A CZ3 1 ATOM 1812 C CH2 . TRP A 1 232 ? 13.484 -1.171 26.688 1.00 13.43 ? 232 TRP A CH2 1 ATOM 1813 N N . SER A 1 233 ? 10.197 4.474 29.170 1.00 14.09 ? 233 SER A N 1 ATOM 1814 C CA . SER A 1 233 ? 8.947 3.796 29.467 1.00 13.85 ? 233 SER A CA 1 ATOM 1815 C C . SER A 1 233 ? 8.409 3.214 28.172 1.00 16.08 ? 233 SER A C 1 ATOM 1816 O O . SER A 1 233 ? 8.630 3.763 27.085 1.00 14.35 ? 233 SER A O 1 ATOM 1817 C CB . SER A 1 233 ? 7.919 4.733 30.103 1.00 16.47 ? 233 SER A CB 1 ATOM 1818 O OG . SER A 1 233 ? 7.475 5.682 29.160 1.00 21.48 ? 233 SER A OG 1 ATOM 1819 N N . PHE A 1 234 ? 7.717 2.085 28.295 1.00 15.40 ? 234 PHE A N 1 ATOM 1820 C CA . PHE A 1 234 ? 7.289 1.322 27.133 1.00 12.49 ? 234 PHE A CA 1 ATOM 1821 C C . PHE A 1 234 ? 5.944 0.688 27.431 1.00 13.41 ? 234 PHE A C 1 ATOM 1822 O O . PHE A 1 234 ? 5.711 0.235 28.550 1.00 12.39 ? 234 PHE A O 1 ATOM 1823 C CB . PHE A 1 234 ? 8.314 0.231 26.796 1.00 13.07 ? 234 PHE A CB 1 ATOM 1824 C CG . PHE A 1 234 ? 7.931 -0.625 25.629 1.00 13.16 ? 234 PHE A CG 1 ATOM 1825 C CD1 . PHE A 1 234 ? 8.285 -0.248 24.343 1.00 11.91 ? 234 PHE A CD1 1 ATOM 1826 C CD2 . PHE A 1 234 ? 7.225 -1.814 25.813 1.00 13.60 ? 234 PHE A CD2 1 ATOM 1827 C CE1 . PHE A 1 234 ? 7.937 -1.034 23.245 1.00 13.03 ? 234 PHE A CE1 1 ATOM 1828 C CE2 . PHE A 1 234 ? 6.865 -2.602 24.721 1.00 11.24 ? 234 PHE A CE2 1 ATOM 1829 C CZ . PHE A 1 234 ? 7.223 -2.212 23.437 1.00 11.68 ? 234 PHE A CZ 1 ATOM 1830 N N . THR A 1 235 ? 5.061 0.660 26.435 1.00 14.67 ? 235 THR A N 1 ATOM 1831 C CA . THR A 1 235 ? 3.827 -0.107 26.542 1.00 13.57 ? 235 THR A CA 1 ATOM 1832 C C . THR A 1 235 ? 3.518 -0.725 25.189 1.00 16.82 ? 235 THR A C 1 ATOM 1833 O O . THR A 1 235 ? 3.813 -0.141 24.142 1.00 12.36 ? 235 THR A O 1 ATOM 1834 C CB . THR A 1 235 ? 2.634 0.748 27.015 1.00 16.61 ? 235 THR A CB 1 ATOM 1835 O OG1 . THR A 1 235 ? 1.478 -0.089 27.159 1.00 13.91 ? 235 THR A OG1 1 ATOM 1836 C CG2 . THR A 1 235 ? 2.319 1.856 26.004 1.00 15.12 ? 235 THR A CG2 1 ATOM 1837 N N . SER A 1 236 ? 2.941 -1.927 25.222 1.00 13.70 ? 236 SER A N 1 ATOM 1838 C CA . SER A 1 236 ? 2.502 -2.606 24.012 1.00 14.70 ? 236 SER A CA 1 ATOM 1839 C C . SER A 1 236 ? 1.234 -3.376 24.330 1.00 14.66 ? 236 SER A C 1 ATOM 1840 O O . SER A 1 236 ? 1.169 -4.053 25.360 1.00 13.45 ? 236 SER A O 1 ATOM 1841 C CB . SER A 1 236 ? 3.573 -3.562 23.487 1.00 14.25 ? 236 SER A CB 1 ATOM 1842 O OG . SER A 1 236 ? 3.135 -4.187 22.298 1.00 14.66 ? 236 SER A OG 1 ATOM 1843 N N . THR A 1 237 ? 0.238 -3.276 23.453 1.00 15.31 ? 237 THR A N 1 ATOM 1844 C CA . THR A 1 237 ? -1.011 -4.010 23.603 1.00 15.48 ? 237 THR A CA 1 ATOM 1845 C C . THR A 1 237 ? -1.336 -4.710 22.293 1.00 15.02 ? 237 THR A C 1 ATOM 1846 O O . THR A 1 237 ? -1.368 -4.071 21.237 1.00 14.21 ? 237 THR A O 1 ATOM 1847 C CB . THR A 1 237 ? -2.173 -3.085 23.999 1.00 15.56 ? 237 THR A CB 1 ATOM 1848 O OG1 . THR A 1 237 ? -1.883 -2.455 25.252 1.00 17.19 ? 237 THR A OG1 1 ATOM 1849 C CG2 . THR A 1 237 ? -3.473 -3.884 24.129 1.00 17.37 ? 237 THR A CG2 1 ATOM 1850 N N . LEU A 1 238 ? -1.587 -6.014 22.369 1.00 13.66 ? 238 LEU A N 1 ATOM 1851 C CA . LEU A 1 238 ? -1.957 -6.812 21.207 1.00 12.42 ? 238 LEU A CA 1 ATOM 1852 C C . LEU A 1 238 ? -3.434 -6.576 20.896 1.00 19.21 ? 238 LEU A C 1 ATOM 1853 O O . LEU A 1 238 ? -4.302 -6.880 21.720 1.00 20.72 ? 238 LEU A O 1 ATOM 1854 C CB . LEU A 1 238 ? -1.676 -8.289 21.493 1.00 15.68 ? 238 LEU A CB 1 ATOM 1855 C CG . LEU A 1 238 ? -1.776 -9.343 20.391 1.00 20.64 ? 238 LEU A CG 1 ATOM 1856 C CD1 . LEU A 1 238 ? -0.761 -9.094 19.269 1.00 15.62 ? 238 LEU A CD1 1 ATOM 1857 C CD2 . LEU A 1 238 ? -1.602 -10.744 20.986 1.00 16.54 ? 238 LEU A CD2 1 ATOM 1858 N N . LEU A 1 239 ? -3.714 -6.016 19.724 1.00 18.57 ? 239 LEU A N 1 ATOM 1859 C CA . LEU A 1 239 ? -5.078 -5.672 19.332 1.00 23.90 ? 239 LEU A CA 1 ATOM 1860 C C . LEU A 1 239 ? -5.654 -6.696 18.344 1.00 34.24 ? 239 LEU A C 1 ATOM 1861 O O . LEU A 1 239 ? -5.267 -6.727 17.163 1.00 30.06 ? 239 LEU A O 1 ATOM 1862 C CB . LEU A 1 239 ? -5.112 -4.275 18.714 1.00 22.60 ? 239 LEU A CB 1 ATOM 1863 C CG . LEU A 1 239 ? -4.573 -3.125 19.567 1.00 26.47 ? 239 LEU A CG 1 ATOM 1864 C CD1 . LEU A 1 239 ? -4.621 -1.815 18.792 1.00 28.41 ? 239 LEU A CD1 1 ATOM 1865 C CD2 . LEU A 1 239 ? -5.362 -3.018 20.851 1.00 30.03 ? 239 LEU A CD2 1 HETATM 1866 C C1 . NAG B 2 . ? 20.139 -10.410 0.450 1.00 31.12 ? 301 NAG A C1 1 HETATM 1867 C C2 . NAG B 2 . ? 20.972 -10.971 -0.697 1.00 31.37 ? 301 NAG A C2 1 HETATM 1868 C C3 . NAG B 2 . ? 20.288 -12.178 -1.328 1.00 35.71 ? 301 NAG A C3 1 HETATM 1869 C C4 . NAG B 2 . ? 19.855 -13.179 -0.263 1.00 37.31 ? 301 NAG A C4 1 HETATM 1870 C C5 . NAG B 2 . ? 19.090 -12.486 0.858 1.00 35.24 ? 301 NAG A C5 1 HETATM 1871 C C6 . NAG B 2 . ? 18.724 -13.474 1.960 1.00 26.90 ? 301 NAG A C6 1 HETATM 1872 C C7 . NAG B 2 . ? 22.408 -9.687 -2.172 1.00 41.97 ? 301 NAG A C7 1 HETATM 1873 C C8 . NAG B 2 . ? 22.492 -8.573 -3.172 1.00 40.58 ? 301 NAG A C8 1 HETATM 1874 N N2 . NAG B 2 . ? 21.192 -9.946 -1.698 1.00 36.23 ? 301 NAG A N2 1 HETATM 1875 O O3 . NAG B 2 . ? 21.188 -12.813 -2.243 1.00 39.54 ? 301 NAG A O3 1 HETATM 1876 O O4 . NAG B 2 . ? 19.025 -14.181 -0.860 1.00 37.17 ? 301 NAG A O4 1 HETATM 1877 O O5 . NAG B 2 . ? 19.890 -11.440 1.404 1.00 27.54 ? 301 NAG A O5 1 HETATM 1878 O O6 . NAG B 2 . ? 19.871 -14.263 2.293 1.00 36.69 ? 301 NAG A O6 1 HETATM 1879 O O7 . NAG B 2 . ? 23.391 -10.316 -1.815 1.00 39.57 ? 301 NAG A O7 1 HETATM 1880 CA CA . CA C 3 . ? 26.128 6.784 10.480 1.00 11.30 ? 302 CA A CA 1 HETATM 1881 MN MN . MN D 4 . ? 22.116 6.861 9.337 1.00 15.12 ? 303 MN A MN 1 HETATM 1882 C C1 . MDM E 5 . ? 35.277 3.522 11.068 1.00 13.62 ? 304 MDM A C1 1 HETATM 1883 C C2 . MDM E 5 . ? 34.217 2.429 11.022 1.00 14.76 ? 304 MDM A C2 1 HETATM 1884 C C3 . MDM E 5 . ? 32.834 3.020 10.775 1.00 15.54 ? 304 MDM A C3 1 HETATM 1885 C C4 . MDM E 5 . ? 32.559 4.180 11.724 1.00 13.12 ? 304 MDM A C4 1 HETATM 1886 C C5 . MDM E 5 . ? 33.719 5.169 11.730 1.00 12.87 ? 304 MDM A C5 1 HETATM 1887 C C6 . MDM E 5 . ? 33.478 6.288 12.735 1.00 14.40 ? 304 MDM A C6 1 HETATM 1888 O O2 . MDM E 5 . ? 34.215 1.712 12.262 1.00 15.18 ? 304 MDM A O2 1 HETATM 1889 O O3 . MDM E 5 . ? 31.841 2.005 10.962 1.00 12.95 ? 304 MDM A O3 1 HETATM 1890 O O4 . MDM E 5 . ? 31.361 4.853 11.320 1.00 12.53 ? 304 MDM A O4 1 HETATM 1891 O O5 . MDM E 5 . ? 34.925 4.484 12.061 1.00 15.20 ? 304 MDM A O5 1 HETATM 1892 O O6 . MDM E 5 . ? 33.429 5.740 14.057 1.00 13.61 ? 304 MDM A O6 1 HETATM 1893 C "C1'" . MDM E 5 . ? 37.387 7.303 9.497 1.00 16.55 ? 304 MDM A "C1'" 1 HETATM 1894 C "C2'" . MDM E 5 . ? 36.201 6.417 9.858 1.00 13.99 ? 304 MDM A "C2'" 1 HETATM 1895 C "C3'" . MDM E 5 . ? 36.543 4.943 9.670 1.00 15.19 ? 304 MDM A "C3'" 1 HETATM 1896 C "C4'" . MDM E 5 . ? 37.171 4.698 8.303 1.00 16.44 ? 304 MDM A "C4'" 1 HETATM 1897 C "C5'" . MDM E 5 . ? 38.299 5.687 8.036 1.00 16.40 ? 304 MDM A "C5'" 1 HETATM 1898 C "C6'" . MDM E 5 . ? 38.877 5.492 6.639 1.00 21.24 ? 304 MDM A "C6'" 1 HETATM 1899 C "C7'" . MDM E 5 . ? 38.805 8.202 11.158 1.00 33.21 ? 304 MDM A "C7'" 1 HETATM 1900 O "O1'" . MDM E 5 . ? 38.463 7.045 10.397 1.00 16.68 ? 304 MDM A "O1'" 1 HETATM 1901 O "O2'" . MDM E 5 . ? 35.083 6.756 9.030 1.00 15.04 ? 304 MDM A "O2'" 1 HETATM 1902 O "O3'" . MDM E 5 . ? 35.358 4.160 9.796 1.00 13.16 ? 304 MDM A "O3'" 1 HETATM 1903 O "O4'" . MDM E 5 . ? 37.683 3.362 8.246 1.00 16.74 ? 304 MDM A "O4'" 1 HETATM 1904 O "O5'" . MDM E 5 . ? 37.805 7.019 8.164 1.00 16.57 ? 304 MDM A "O5'" 1 HETATM 1905 O "O6'" . MDM E 5 . ? 39.769 6.570 6.336 1.00 21.88 ? 304 MDM A "O6'" 1 HETATM 1906 O O . HOH F 6 . ? 18.692 6.972 35.001 1.00 22.85 ? 401 HOH A O 1 HETATM 1907 O O . HOH F 6 . ? 11.611 8.712 29.394 1.00 25.79 ? 402 HOH A O 1 HETATM 1908 O O . HOH F 6 . ? 15.494 22.051 14.755 1.00 17.86 ? 403 HOH A O 1 HETATM 1909 O O . HOH F 6 . ? 11.281 -13.695 11.035 1.00 23.29 ? 404 HOH A O 1 HETATM 1910 O O . HOH F 6 . ? -2.243 -14.431 9.946 1.00 30.92 ? 405 HOH A O 1 HETATM 1911 O O . HOH F 6 . ? 37.580 18.553 24.363 1.00 31.84 ? 406 HOH A O 1 HETATM 1912 O O . HOH F 6 . ? 2.005 5.909 14.951 1.00 25.26 ? 407 HOH A O 1 HETATM 1913 O O . HOH F 6 . ? 16.536 -7.639 0.043 1.00 34.46 ? 408 HOH A O 1 HETATM 1914 O O . HOH F 6 . ? 10.386 -4.136 35.062 1.00 23.16 ? 409 HOH A O 1 HETATM 1915 O O . HOH F 6 . ? 15.299 18.877 10.983 1.00 19.97 ? 410 HOH A O 1 HETATM 1916 O O . HOH F 6 . ? 27.529 -11.098 19.818 1.00 27.20 ? 411 HOH A O 1 HETATM 1917 O O . HOH F 6 . ? 17.429 27.361 20.243 1.00 17.37 ? 412 HOH A O 1 HETATM 1918 O O . HOH F 6 . ? 29.801 11.201 29.065 1.00 23.71 ? 413 HOH A O 1 HETATM 1919 O O . HOH F 6 . ? 41.103 6.848 26.452 1.00 24.33 ? 414 HOH A O 1 HETATM 1920 O O . HOH F 6 . ? 40.891 9.709 29.638 1.00 30.48 ? 415 HOH A O 1 HETATM 1921 O O . HOH F 6 . ? -1.867 -3.797 11.028 1.00 32.55 ? 416 HOH A O 1 HETATM 1922 O O . HOH F 6 . ? -5.455 -14.727 20.669 1.00 28.30 ? 417 HOH A O 1 HETATM 1923 O O . HOH F 6 . ? 25.964 2.335 0.373 1.00 24.36 ? 418 HOH A O 1 HETATM 1924 O O . HOH F 6 . ? 22.322 4.666 9.414 1.00 10.65 ? 419 HOH A O 1 HETATM 1925 O O . HOH F 6 . ? 31.041 0.823 4.790 1.00 25.77 ? 420 HOH A O 1 HETATM 1926 O O . HOH F 6 . ? 31.214 14.865 3.645 1.00 18.69 ? 421 HOH A O 1 HETATM 1927 O O . HOH F 6 . ? 19.181 -10.350 15.853 1.00 20.21 ? 422 HOH A O 1 HETATM 1928 O O . HOH F 6 . ? 29.507 14.195 13.684 1.00 23.46 ? 423 HOH A O 1 HETATM 1929 O O . HOH F 6 . ? 34.516 12.815 18.899 1.00 23.36 ? 424 HOH A O 1 HETATM 1930 O O . HOH F 6 . ? 28.099 20.755 15.278 1.00 16.23 ? 425 HOH A O 1 HETATM 1931 O O . HOH F 6 . ? 25.107 4.635 10.266 1.00 11.60 ? 426 HOH A O 1 HETATM 1932 O O . HOH F 6 . ? 5.553 -17.184 12.825 1.00 22.49 ? 427 HOH A O 1 HETATM 1933 O O . HOH F 6 . ? 22.574 19.049 10.993 1.00 18.43 ? 428 HOH A O 1 HETATM 1934 O O . HOH F 6 . ? 28.946 -4.527 29.677 1.00 15.77 ? 429 HOH A O 1 HETATM 1935 O O . HOH F 6 . ? 23.126 -7.400 8.619 1.00 16.10 ? 430 HOH A O 1 HETATM 1936 O O . HOH F 6 . ? -5.367 -6.947 24.119 1.00 26.51 ? 431 HOH A O 1 HETATM 1937 O O . HOH F 6 . ? 1.931 -5.734 4.224 1.00 29.17 ? 432 HOH A O 1 HETATM 1938 O O . HOH F 6 . ? 18.166 -13.113 15.796 1.00 16.31 ? 433 HOH A O 1 HETATM 1939 O O . HOH F 6 . ? 12.427 18.193 25.188 1.00 27.01 ? 434 HOH A O 1 HETATM 1940 O O . HOH F 6 . ? 32.890 -0.571 12.196 1.00 18.27 ? 435 HOH A O 1 HETATM 1941 O O . HOH F 6 . ? 25.916 -10.908 7.049 1.00 29.25 ? 436 HOH A O 1 HETATM 1942 O O . HOH F 6 . ? 18.383 -4.216 44.741 1.00 13.78 ? 437 HOH A O 1 HETATM 1943 O O . HOH F 6 . ? 17.089 13.984 5.862 1.00 16.43 ? 438 HOH A O 1 HETATM 1944 O O . HOH F 6 . ? 19.080 -12.218 23.005 1.00 18.01 ? 439 HOH A O 1 HETATM 1945 O O . HOH F 6 . ? 29.407 17.496 27.452 1.00 27.91 ? 440 HOH A O 1 HETATM 1946 O O . HOH F 6 . ? 25.515 -2.021 35.894 1.00 14.03 ? 441 HOH A O 1 HETATM 1947 O O . HOH F 6 . ? 35.294 -0.870 15.593 1.00 18.75 ? 442 HOH A O 1 HETATM 1948 O O . HOH F 6 . ? 25.959 17.466 15.186 1.00 17.53 ? 443 HOH A O 1 HETATM 1949 O O . HOH F 6 . ? 4.471 -18.234 16.745 1.00 16.57 ? 444 HOH A O 1 HETATM 1950 O O . HOH F 6 . ? -3.198 -2.286 27.570 1.00 35.79 ? 445 HOH A O 1 HETATM 1951 O O . HOH F 6 . ? 29.326 0.735 2.252 1.00 29.04 ? 446 HOH A O 1 HETATM 1952 O O . HOH F 6 . ? 10.136 13.865 8.325 1.00 28.02 ? 447 HOH A O 1 HETATM 1953 O O . HOH F 6 . ? 4.003 -0.044 33.910 1.00 20.70 ? 448 HOH A O 1 HETATM 1954 O O . HOH F 6 . ? -1.465 6.897 12.430 1.00 31.53 ? 449 HOH A O 1 HETATM 1955 O O . HOH F 6 . ? 4.294 -10.501 26.190 1.00 15.08 ? 450 HOH A O 1 HETATM 1956 O O . HOH F 6 . ? 18.043 7.190 3.891 1.00 15.40 ? 451 HOH A O 1 HETATM 1957 O O . HOH F 6 . ? 11.806 13.220 6.396 1.00 33.51 ? 452 HOH A O 1 HETATM 1958 O O . HOH F 6 . ? 39.301 1.316 22.582 1.00 26.47 ? 453 HOH A O 1 HETATM 1959 O O . HOH F 6 . ? 23.787 -10.705 27.801 1.00 22.59 ? 454 HOH A O 1 HETATM 1960 O O . HOH F 6 . ? 9.510 7.778 30.037 1.00 29.20 ? 455 HOH A O 1 HETATM 1961 O O . HOH F 6 . ? 26.828 -12.411 16.936 1.00 33.41 ? 456 HOH A O 1 HETATM 1962 O O . HOH F 6 . ? 0.899 -4.396 10.814 1.00 30.12 ? 457 HOH A O 1 HETATM 1963 O O . HOH F 6 . ? 1.038 7.092 7.684 1.00 26.76 ? 458 HOH A O 1 HETATM 1964 O O . HOH F 6 . ? 33.655 -3.133 28.341 1.00 35.76 ? 459 HOH A O 1 HETATM 1965 O O . HOH F 6 . ? 31.636 5.566 25.100 1.00 12.55 ? 460 HOH A O 1 HETATM 1966 O O . HOH F 6 . ? 18.422 -0.831 2.121 1.00 23.21 ? 461 HOH A O 1 HETATM 1967 O O . HOH F 6 . ? 32.849 5.481 22.550 1.00 15.26 ? 462 HOH A O 1 HETATM 1968 O O . HOH F 6 . ? 42.329 2.816 15.572 1.00 43.43 ? 463 HOH A O 1 HETATM 1969 O O . HOH F 6 . ? 27.899 -2.527 5.188 1.00 21.20 ? 464 HOH A O 1 HETATM 1970 O O . HOH F 6 . ? 36.904 0.311 30.098 1.00 30.61 ? 465 HOH A O 1 HETATM 1971 O O . HOH F 6 . ? 16.002 -0.396 40.311 1.00 13.12 ? 466 HOH A O 1 HETATM 1972 O O . HOH F 6 . ? 27.539 -9.349 24.597 1.00 30.16 ? 467 HOH A O 1 HETATM 1973 O O . HOH F 6 . ? 34.915 3.380 32.701 1.00 31.50 ? 468 HOH A O 1 HETATM 1974 O O . HOH F 6 . ? 23.365 15.003 23.561 1.00 14.06 ? 469 HOH A O 1 HETATM 1975 O O . HOH F 6 . ? -0.124 -17.999 19.446 1.00 14.67 ? 470 HOH A O 1 HETATM 1976 O O . HOH F 6 . ? 28.823 6.883 29.436 1.00 18.32 ? 471 HOH A O 1 HETATM 1977 O O . HOH F 6 . ? 31.302 1.311 8.383 1.00 27.98 ? 472 HOH A O 1 HETATM 1978 O O . HOH F 6 . ? 39.609 7.679 24.277 1.00 18.96 ? 473 HOH A O 1 HETATM 1979 O O . HOH F 6 . ? 13.879 -9.653 6.380 1.00 22.09 ? 474 HOH A O 1 HETATM 1980 O O . HOH F 6 . ? 36.393 0.789 13.615 1.00 18.37 ? 475 HOH A O 1 HETATM 1981 O O . HOH F 6 . ? 20.621 6.623 7.886 1.00 12.36 ? 476 HOH A O 1 HETATM 1982 O O . HOH F 6 . ? 26.613 -4.468 2.547 1.00 32.03 ? 477 HOH A O 1 HETATM 1983 O O . HOH F 6 . ? 22.153 0.098 43.704 1.00 19.78 ? 478 HOH A O 1 HETATM 1984 O O . HOH F 6 . ? 20.159 0.161 0.319 1.00 22.16 ? 479 HOH A O 1 HETATM 1985 O O . HOH F 6 . ? 22.990 19.820 8.433 1.00 18.19 ? 480 HOH A O 1 HETATM 1986 O O . HOH F 6 . ? 20.375 21.148 17.254 1.00 14.91 ? 481 HOH A O 1 HETATM 1987 O O . HOH F 6 . ? 23.767 -3.808 36.314 1.00 18.98 ? 482 HOH A O 1 HETATM 1988 O O . HOH F 6 . ? 25.551 18.648 4.789 1.00 14.05 ? 483 HOH A O 1 HETATM 1989 O O . HOH F 6 . ? 16.278 -13.259 7.960 1.00 18.37 ? 484 HOH A O 1 HETATM 1990 O O . HOH F 6 . ? 41.198 3.014 31.480 1.00 39.49 ? 485 HOH A O 1 HETATM 1991 O O . HOH F 6 . ? 27.691 17.918 18.696 1.00 23.20 ? 486 HOH A O 1 HETATM 1992 O O . HOH F 6 . ? 3.958 -16.534 6.189 1.00 30.87 ? 487 HOH A O 1 HETATM 1993 O O . HOH F 6 . ? 2.001 -6.794 22.786 1.00 15.71 ? 488 HOH A O 1 HETATM 1994 O O . HOH F 6 . ? 14.914 17.705 25.962 1.00 25.48 ? 489 HOH A O 1 HETATM 1995 O O . HOH F 6 . ? 32.927 -7.343 15.715 1.00 34.48 ? 490 HOH A O 1 HETATM 1996 O O . HOH F 6 . ? 37.028 4.578 2.357 1.00 30.71 ? 491 HOH A O 1 HETATM 1997 O O . HOH F 6 . ? 15.309 1.137 6.228 1.00 15.19 ? 492 HOH A O 1 HETATM 1998 O O . HOH F 6 . ? 25.687 21.884 24.063 1.00 27.25 ? 493 HOH A O 1 HETATM 1999 O O . HOH F 6 . ? -1.476 4.437 6.535 1.00 34.04 ? 494 HOH A O 1 HETATM 2000 O O . HOH F 6 . ? -5.471 -7.126 12.117 1.00 37.04 ? 495 HOH A O 1 HETATM 2001 O O . HOH F 6 . ? -0.211 -0.294 24.845 1.00 19.96 ? 496 HOH A O 1 HETATM 2002 O O . HOH F 6 . ? 21.027 -7.367 11.494 1.00 17.99 ? 497 HOH A O 1 HETATM 2003 O O . HOH F 6 . ? 27.551 9.714 3.499 1.00 18.84 ? 498 HOH A O 1 HETATM 2004 O O . HOH F 6 . ? 11.880 -6.752 25.448 1.00 11.25 ? 499 HOH A O 1 HETATM 2005 O O . HOH F 6 . ? 10.235 7.031 32.344 1.00 25.80 ? 500 HOH A O 1 HETATM 2006 O O . HOH F 6 . ? 16.144 0.251 37.636 1.00 14.93 ? 501 HOH A O 1 HETATM 2007 O O . HOH F 6 . ? 16.730 9.831 3.774 1.00 29.24 ? 502 HOH A O 1 HETATM 2008 O O . HOH F 6 . ? 28.807 11.996 3.207 1.00 24.09 ? 503 HOH A O 1 HETATM 2009 O O . HOH F 6 . ? 16.367 2.161 2.704 1.00 23.66 ? 504 HOH A O 1 HETATM 2010 O O . HOH F 6 . ? 3.907 7.988 7.350 1.00 28.97 ? 505 HOH A O 1 HETATM 2011 O O . HOH F 6 . ? 7.541 -11.470 9.706 1.00 16.37 ? 506 HOH A O 1 HETATM 2012 O O . HOH F 6 . ? 21.154 14.601 21.773 1.00 19.19 ? 507 HOH A O 1 HETATM 2013 O O . HOH F 6 . ? 32.811 -3.492 10.183 1.00 27.60 ? 508 HOH A O 1 HETATM 2014 O O . HOH F 6 . ? 26.877 6.478 -1.334 1.00 31.73 ? 509 HOH A O 1 HETATM 2015 O O . HOH F 6 . ? 37.685 -2.910 20.926 1.00 40.90 ? 510 HOH A O 1 HETATM 2016 O O . HOH F 6 . ? 30.756 12.379 9.932 1.00 17.62 ? 511 HOH A O 1 HETATM 2017 O O . HOH F 6 . ? 1.034 -13.332 23.627 1.00 15.60 ? 512 HOH A O 1 HETATM 2018 O O . HOH F 6 . ? 5.337 -16.000 10.252 1.00 21.10 ? 513 HOH A O 1 HETATM 2019 O O . HOH F 6 . ? 20.297 6.790 5.325 1.00 16.76 ? 514 HOH A O 1 HETATM 2020 O O . HOH F 6 . ? 22.898 2.837 39.842 1.00 15.70 ? 515 HOH A O 1 HETATM 2021 O O . HOH F 6 . ? 13.987 1.932 37.800 1.00 13.61 ? 516 HOH A O 1 HETATM 2022 O O . HOH F 6 . ? 12.476 10.554 34.176 1.00 28.08 ? 517 HOH A O 1 HETATM 2023 O O . HOH F 6 . ? 33.434 4.807 0.893 1.00 19.98 ? 518 HOH A O 1 HETATM 2024 O O . HOH F 6 . ? 19.492 -6.872 44.679 1.00 17.82 ? 519 HOH A O 1 HETATM 2025 O O . HOH F 6 . ? 4.733 -5.222 4.056 1.00 32.31 ? 520 HOH A O 1 HETATM 2026 O O . HOH F 6 . ? 23.897 11.043 37.229 1.00 38.42 ? 521 HOH A O 1 HETATM 2027 O O . HOH F 6 . ? 21.733 16.515 29.734 1.00 28.47 ? 522 HOH A O 1 HETATM 2028 O O . HOH F 6 . ? 23.234 14.375 1.886 1.00 22.18 ? 523 HOH A O 1 HETATM 2029 O O . HOH F 6 . ? 13.839 -10.831 35.077 1.00 21.21 ? 524 HOH A O 1 HETATM 2030 O O . HOH F 6 . ? 27.178 6.260 12.531 1.00 11.07 ? 525 HOH A O 1 HETATM 2031 O O . HOH F 6 . ? 22.581 3.468 42.556 1.00 26.59 ? 526 HOH A O 1 HETATM 2032 O O . HOH F 6 . ? 3.646 -12.268 7.787 1.00 32.83 ? 527 HOH A O 1 HETATM 2033 O O . HOH F 6 . ? -2.016 -15.367 22.568 1.00 19.63 ? 528 HOH A O 1 HETATM 2034 O O . HOH F 6 . ? 10.948 17.327 11.653 1.00 21.10 ? 529 HOH A O 1 HETATM 2035 O O . HOH F 6 . ? -1.789 -13.053 23.818 1.00 16.34 ? 530 HOH A O 1 HETATM 2036 O O . HOH F 6 . ? 6.259 5.440 4.492 1.00 20.85 ? 531 HOH A O 1 HETATM 2037 O O . HOH F 6 . ? 31.575 16.547 20.455 1.00 18.69 ? 532 HOH A O 1 HETATM 2038 O O . HOH F 6 . ? 8.121 21.261 20.370 1.00 30.71 ? 533 HOH A O 1 HETATM 2039 O O . HOH F 6 . ? 29.723 2.823 35.008 1.00 25.87 ? 534 HOH A O 1 HETATM 2040 O O . HOH F 6 . ? 5.576 -2.861 5.197 1.00 28.05 ? 535 HOH A O 1 HETATM 2041 O O . HOH F 6 . ? 19.595 18.891 28.579 1.00 21.24 ? 536 HOH A O 1 HETATM 2042 O O . HOH F 6 . ? 24.017 -5.208 2.371 1.00 18.64 ? 537 HOH A O 1 HETATM 2043 O O . HOH F 6 . ? 2.798 -8.598 24.604 1.00 15.58 ? 538 HOH A O 1 HETATM 2044 O O . HOH F 6 . ? 5.264 7.784 5.060 1.00 30.33 ? 539 HOH A O 1 HETATM 2045 O O . HOH F 6 . ? 13.639 26.860 19.586 1.00 20.10 ? 540 HOH A O 1 HETATM 2046 O O . HOH F 6 . ? 20.741 -6.867 15.576 1.00 20.72 ? 541 HOH A O 1 HETATM 2047 O O . HOH F 6 . ? 11.277 -11.277 32.112 0.50 36.10 ? 542 HOH A O 1 HETATM 2048 O O . HOH F 6 . ? -5.589 -13.607 24.343 1.00 18.21 ? 543 HOH A O 1 HETATM 2049 O O . HOH F 6 . ? 15.357 17.114 7.110 1.00 20.96 ? 544 HOH A O 1 HETATM 2050 O O . HOH F 6 . ? 18.202 -8.532 14.584 1.00 18.71 ? 545 HOH A O 1 HETATM 2051 O O . HOH F 6 . ? 17.959 -14.092 27.135 1.00 24.63 ? 546 HOH A O 1 HETATM 2052 O O . HOH F 6 . ? 32.595 15.663 26.632 1.00 28.41 ? 547 HOH A O 1 HETATM 2053 O O . HOH F 6 . ? 14.315 15.276 29.900 1.00 35.34 ? 548 HOH A O 1 HETATM 2054 O O . HOH F 6 . ? 6.331 4.957 37.264 1.00 31.15 ? 549 HOH A O 1 HETATM 2055 O O . HOH F 6 . ? 12.116 -5.909 5.232 1.00 23.78 ? 550 HOH A O 1 HETATM 2056 O O . HOH F 6 . ? 18.858 -9.956 33.194 1.00 20.88 ? 551 HOH A O 1 HETATM 2057 O O . HOH F 6 . ? 8.694 24.060 17.877 1.00 31.62 ? 552 HOH A O 1 HETATM 2058 O O . HOH F 6 . ? -3.888 0.278 23.615 1.00 33.69 ? 553 HOH A O 1 HETATM 2059 O O . HOH F 6 . ? 27.030 21.076 20.644 1.00 18.44 ? 554 HOH A O 1 HETATM 2060 O O . HOH F 6 . ? 41.144 5.433 4.012 1.00 32.57 ? 555 HOH A O 1 HETATM 2061 O O . HOH F 6 . ? 11.726 22.699 15.349 1.00 23.24 ? 556 HOH A O 1 HETATM 2062 O O . HOH F 6 . ? 13.244 7.956 40.579 1.00 27.45 ? 557 HOH A O 1 HETATM 2063 O O . HOH F 6 . ? 32.916 -4.384 14.931 1.00 25.19 ? 558 HOH A O 1 HETATM 2064 O O . HOH F 6 . ? 14.582 10.634 3.885 1.00 22.15 ? 559 HOH A O 1 HETATM 2065 O O . HOH F 6 . ? 7.992 11.749 8.040 1.00 24.16 ? 560 HOH A O 1 HETATM 2066 O O . HOH F 6 . ? 31.984 -1.002 29.169 1.00 20.18 ? 561 HOH A O 1 HETATM 2067 O O . HOH F 6 . ? 23.818 -8.974 1.072 1.00 26.83 ? 562 HOH A O 1 HETATM 2068 O O . HOH F 6 . ? 28.838 -8.318 27.948 1.00 32.29 ? 563 HOH A O 1 HETATM 2069 O O . HOH F 6 . ? 25.552 -9.949 22.129 1.00 17.69 ? 564 HOH A O 1 HETATM 2070 O O . HOH F 6 . ? 27.185 8.900 32.048 1.00 28.64 ? 565 HOH A O 1 HETATM 2071 O O . HOH F 6 . ? 26.640 -1.546 3.222 1.00 23.16 ? 566 HOH A O 1 HETATM 2072 O O . HOH F 6 . ? 16.600 19.616 6.232 1.00 30.77 ? 567 HOH A O 1 HETATM 2073 O O . HOH F 6 . ? 28.532 5.479 27.061 1.00 13.48 ? 568 HOH A O 1 HETATM 2074 O O . HOH F 6 . ? 22.775 -8.891 31.563 1.00 28.05 ? 569 HOH A O 1 HETATM 2075 O O . HOH F 6 . ? 38.551 0.639 27.252 1.00 33.62 ? 570 HOH A O 1 HETATM 2076 O O . HOH F 6 . ? 23.463 3.312 0.040 1.00 30.16 ? 571 HOH A O 1 HETATM 2077 O O . HOH F 6 . ? 33.373 1.077 30.205 1.00 17.66 ? 572 HOH A O 1 HETATM 2078 O O . HOH F 6 . ? 10.208 -10.833 8.613 1.00 30.76 ? 573 HOH A O 1 HETATM 2079 O O . HOH F 6 . ? 30.182 -0.947 11.952 1.00 14.95 ? 574 HOH A O 1 HETATM 2080 O O . HOH F 6 . ? 22.392 -11.528 25.695 1.00 19.74 ? 575 HOH A O 1 HETATM 2081 O O . HOH F 6 . ? 32.544 11.619 29.108 1.00 30.41 ? 576 HOH A O 1 HETATM 2082 O O . HOH F 6 . ? 6.170 12.074 13.494 1.00 24.51 ? 577 HOH A O 1 HETATM 2083 O O . HOH F 6 . ? 40.114 5.463 22.247 1.00 22.66 ? 578 HOH A O 1 HETATM 2084 O O . HOH F 6 . ? -0.116 -10.516 8.360 1.00 39.93 ? 579 HOH A O 1 HETATM 2085 O O . HOH F 6 . ? 23.638 -2.928 33.874 1.00 26.56 ? 580 HOH A O 1 HETATM 2086 O O . HOH F 6 . ? 32.075 6.131 32.932 1.00 30.58 ? 581 HOH A O 1 HETATM 2087 O O . HOH F 6 . ? 23.295 19.058 3.497 1.00 18.06 ? 582 HOH A O 1 HETATM 2088 O O . HOH F 6 . ? 7.490 -15.562 13.936 1.00 18.65 ? 583 HOH A O 1 HETATM 2089 O O . HOH F 6 . ? 5.368 9.520 18.296 1.00 17.04 ? 584 HOH A O 1 HETATM 2090 O O . HOH F 6 . ? 16.120 -10.728 33.257 1.00 22.06 ? 585 HOH A O 1 HETATM 2091 O O . HOH F 6 . ? 36.481 10.832 18.602 1.00 18.25 ? 586 HOH A O 1 HETATM 2092 O O . HOH F 6 . ? 8.941 13.083 24.291 1.00 27.73 ? 587 HOH A O 1 HETATM 2093 O O . HOH F 6 . ? 8.934 14.003 22.204 1.00 30.18 ? 588 HOH A O 1 HETATM 2094 O O . HOH F 6 . ? -3.307 1.622 18.728 1.00 33.44 ? 589 HOH A O 1 HETATM 2095 O O . HOH F 6 . ? 16.977 -13.889 29.140 1.00 29.44 ? 590 HOH A O 1 HETATM 2096 O O . HOH F 6 . ? 13.471 22.893 28.962 1.00 41.52 ? 591 HOH A O 1 HETATM 2097 O O . HOH F 6 . ? 14.032 0.489 3.937 1.00 29.84 ? 592 HOH A O 1 HETATM 2098 O O . HOH F 6 . ? 16.033 4.384 1.252 1.00 35.29 ? 593 HOH A O 1 HETATM 2099 O O . HOH F 6 . ? 31.100 8.375 31.117 1.00 25.53 ? 594 HOH A O 1 HETATM 2100 O O . HOH F 6 . ? 9.248 19.099 12.920 1.00 34.81 ? 595 HOH A O 1 HETATM 2101 O O . HOH F 6 . ? 15.189 18.061 28.473 1.00 34.87 ? 596 HOH A O 1 HETATM 2102 O O . HOH F 6 . ? 20.038 -15.376 22.808 1.00 26.20 ? 597 HOH A O 1 HETATM 2103 O O . HOH F 6 . ? 13.414 -12.445 6.686 1.00 30.15 ? 598 HOH A O 1 HETATM 2104 O O . HOH F 6 . ? 33.553 2.428 1.680 1.00 37.39 ? 599 HOH A O 1 HETATM 2105 O O . HOH F 6 . ? 24.222 -11.738 1.204 1.00 36.75 ? 600 HOH A O 1 HETATM 2106 O O . HOH F 6 . ? 21.015 8.602 1.329 1.00 36.04 ? 601 HOH A O 1 HETATM 2107 O O . HOH F 6 . ? 24.578 -11.923 23.591 1.00 29.88 ? 602 HOH A O 1 HETATM 2108 O O . HOH F 6 . ? 43.636 6.583 30.030 1.00 44.22 ? 603 HOH A O 1 HETATM 2109 O O . HOH F 6 . ? 30.539 -9.316 18.193 1.00 32.81 ? 604 HOH A O 1 HETATM 2110 O O . HOH F 6 . ? 35.817 13.382 27.916 1.00 31.73 ? 605 HOH A O 1 HETATM 2111 O O . HOH F 6 . ? -4.035 -4.769 12.540 1.00 34.58 ? 606 HOH A O 1 HETATM 2112 O O . HOH F 6 . ? -4.379 -15.857 23.353 1.00 24.00 ? 607 HOH A O 1 HETATM 2113 O O . HOH F 6 . ? 33.358 13.106 27.186 1.00 29.56 ? 608 HOH A O 1 HETATM 2114 O O . HOH F 6 . ? 30.723 -0.974 8.683 1.00 26.06 ? 609 HOH A O 1 HETATM 2115 O O . HOH F 6 . ? 31.299 -3.738 30.440 1.00 21.45 ? 610 HOH A O 1 HETATM 2116 O O . HOH F 6 . ? 20.000 -12.509 25.647 1.00 25.28 ? 611 HOH A O 1 HETATM 2117 O O . HOH F 6 . ? 29.254 17.721 15.460 1.00 30.32 ? 612 HOH A O 1 HETATM 2118 O O . HOH F 6 . ? 41.174 3.445 23.246 1.00 33.99 ? 613 HOH A O 1 HETATM 2119 O O . HOH F 6 . ? 21.163 -11.000 31.916 1.00 31.22 ? 614 HOH A O 1 HETATM 2120 O O . HOH F 6 . ? 25.916 -11.609 26.096 1.00 40.24 ? 615 HOH A O 1 HETATM 2121 O O . HOH F 6 . ? 10.032 9.724 33.098 1.00 35.47 ? 616 HOH A O 1 HETATM 2122 O O . HOH F 6 . ? 35.445 -2.268 29.526 1.00 35.63 ? 617 HOH A O 1 HETATM 2123 O O . HOH F 6 . ? 22.404 17.215 1.506 1.00 31.21 ? 618 HOH A O 1 HETATM 2124 O O . HOH F 6 . ? 7.450 -14.059 9.627 1.00 19.49 ? 619 HOH A O 1 HETATM 2125 O O . HOH F 6 . ? 27.019 11.699 33.264 1.00 38.29 ? 620 HOH A O 1 HETATM 2126 O O . HOH F 6 . ? -2.237 -7.077 9.307 1.00 41.03 ? 621 HOH A O 1 HETATM 2127 O O . HOH F 6 . ? 41.872 4.244 25.800 1.00 39.64 ? 622 HOH A O 1 HETATM 2128 O O . HOH F 6 . ? 11.140 19.619 27.129 1.00 39.92 ? 623 HOH A O 1 HETATM 2129 O O . HOH F 6 . ? 30.143 -1.531 6.412 1.00 26.24 ? 624 HOH A O 1 HETATM 2130 O O . HOH F 6 . ? 40.838 10.059 23.778 1.00 32.22 ? 625 HOH A O 1 HETATM 2131 O O . HOH F 6 . ? 22.336 -12.258 29.797 1.00 36.48 ? 626 HOH A 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 SER 1 1 1 SER SER A . n A 1 2 ASP 2 2 2 ASP ASP A . n A 1 3 SER 3 3 3 SER SER A . n A 1 4 LEU 4 4 4 LEU LEU A . n A 1 5 SER 5 5 5 SER SER A . n A 1 6 PHE 6 6 6 PHE PHE A . n A 1 7 SER 7 7 7 SER SER A . n A 1 8 PHE 8 8 8 PHE PHE A . n A 1 9 ILE 9 9 9 ILE ILE A . n A 1 10 ASN 10 10 10 ASN ASN A . n A 1 11 PHE 11 11 11 PHE PHE A . n A 1 12 ASP 12 12 12 ASP ASP A . n A 1 13 GLN 13 13 13 GLN GLN A . n A 1 14 ASP 14 14 14 ASP ASP A . n A 1 15 GLU 15 15 15 GLU GLU A . n A 1 16 ARG 16 16 16 ARG ARG A . n A 1 17 ASN 17 17 17 ASN ASN A . n A 1 18 VAL 18 18 18 VAL VAL A . n A 1 19 ILE 19 19 19 ILE ILE A . n A 1 20 ALA 20 20 20 ALA ALA A . n A 1 21 GLN 21 21 21 GLN GLN A . n A 1 22 GLY 22 22 22 GLY GLY A . n A 1 23 ASP 23 23 23 ASP ASP A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 ARG 25 25 25 ARG ARG A . n A 1 26 ILE 26 26 26 ILE ILE A . n A 1 27 SER 27 27 27 SER SER A . n A 1 28 GLY 28 28 28 GLY GLY A . n A 1 29 ASN 29 29 29 ASN ASN A . n A 1 30 ASN 30 30 30 ASN ASN A . n A 1 31 ILE 31 31 31 ILE ILE A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 GLN 33 33 33 GLN GLN A . n A 1 34 LEU 34 34 34 LEU LEU A . n A 1 35 THR 35 35 35 THR THR A . n A 1 36 ARG 36 36 36 ARG ARG A . n A 1 37 THR 37 37 37 THR THR A . n A 1 38 ASP 38 38 38 ASP ASP A . n A 1 39 SER 39 39 39 SER SER A . n A 1 40 ASP 40 40 40 ASP ASP A . n A 1 41 GLY 41 41 41 GLY GLY A . n A 1 42 THR 42 42 42 THR THR A . n A 1 43 PRO 43 43 43 PRO PRO A . n A 1 44 VAL 44 44 44 VAL VAL A . n A 1 45 ARG 45 45 45 ARG ARG A . n A 1 46 SER 46 46 46 SER SER A . n A 1 47 THR 47 47 47 THR THR A . n A 1 48 VAL 48 48 48 VAL VAL A . n A 1 49 GLY 49 49 49 GLY GLY A . n A 1 50 ARG 50 50 50 ARG ARG A . n A 1 51 ILE 51 51 51 ILE ILE A . n A 1 52 LEU 52 52 52 LEU LEU A . n A 1 53 TYR 53 53 53 TYR TYR A . n A 1 54 SER 54 54 54 SER SER A . n A 1 55 ALA 55 55 55 ALA ALA A . n A 1 56 GLN 56 56 56 GLN GLN A . n A 1 57 VAL 57 57 57 VAL VAL A . n A 1 58 ARG 58 58 58 ARG ARG A . n A 1 59 LEU 59 59 59 LEU LEU A . n A 1 60 TRP 60 60 60 TRP TRP A . n A 1 61 GLU 61 61 61 GLU GLU A . n A 1 62 LYS 62 62 62 LYS LYS A . n A 1 63 SER 63 63 63 SER SER A . n A 1 64 THR 64 64 64 THR THR A . n A 1 65 ASN 65 65 65 ASN ASN A . n A 1 66 ARG 66 66 66 ARG ARG A . n A 1 67 VAL 67 67 67 VAL VAL A . n A 1 68 ALA 68 68 68 ALA ALA A . n A 1 69 ASN 69 69 69 ASN ASN A . n A 1 70 PHE 70 70 70 PHE PHE A . n A 1 71 GLN 71 71 71 GLN GLN A . n A 1 72 SER 72 72 72 SER SER A . n A 1 73 GLN 73 73 73 GLN GLN A . n A 1 74 PHE 74 74 74 PHE PHE A . n A 1 75 SER 75 75 75 SER SER A . n A 1 76 PHE 76 76 76 PHE PHE A . n A 1 77 PHE 77 77 77 PHE PHE A . n A 1 78 LEU 78 78 78 LEU LEU A . n A 1 79 GLU 79 79 79 GLU GLU A . n A 1 80 SER 80 80 80 SER SER A . n A 1 81 PRO 81 81 81 PRO PRO A . n A 1 82 LEU 82 82 82 LEU LEU A . n A 1 83 SER 83 83 83 SER SER A . n A 1 84 ASN 84 84 84 ASN ASN A . n A 1 85 PRO 85 85 85 PRO PRO A . n A 1 86 ALA 86 86 86 ALA ALA A . n A 1 87 ASP 87 87 87 ASP ASP A . n A 1 88 GLY 88 88 88 GLY GLY A . n A 1 89 ILE 89 89 89 ILE ILE A . n A 1 90 ALA 90 90 90 ALA ALA A . n A 1 91 PHE 91 91 91 PHE PHE A . n A 1 92 PHE 92 92 92 PHE PHE A . n A 1 93 ILE 93 93 93 ILE ILE A . n A 1 94 ALA 94 94 94 ALA ALA A . n A 1 95 PRO 95 95 95 PRO PRO A . n A 1 96 PRO 96 96 96 PRO PRO A . n A 1 97 ASP 97 97 97 ASP ASP A . n A 1 98 THR 98 98 98 THR THR A . n A 1 99 ALA 99 99 99 ALA ALA A . n A 1 100 ILE 100 100 100 ILE ILE A . n A 1 101 PRO 101 101 101 PRO PRO A . n A 1 102 SER 102 102 102 SER SER A . n A 1 103 GLY 103 103 103 GLY GLY A . n A 1 104 SER 104 104 104 SER SER A . n A 1 105 ALA 105 105 105 ALA ALA A . n A 1 106 GLY 106 106 106 GLY GLY A . n A 1 107 GLY 107 107 107 GLY GLY A . n A 1 108 LEU 108 108 108 LEU LEU A . n A 1 109 LEU 109 109 109 LEU LEU A . n A 1 110 GLY 110 110 110 GLY GLY A . n A 1 111 LEU 111 111 111 LEU LEU A . n A 1 112 PHE 112 112 112 PHE PHE A . n A 1 113 SER 113 113 113 SER SER A . n A 1 114 PRO 114 114 114 PRO PRO A . n A 1 115 LYS 115 115 115 LYS LYS A . n A 1 116 THR 116 116 116 THR THR A . n A 1 117 ALA 117 117 117 ALA ALA A . n A 1 118 GLN 118 118 118 GLN GLN A . n A 1 119 ASN 119 119 119 ASN ASN A . n A 1 120 GLU 120 120 120 GLU GLU A . n A 1 121 SER 121 121 121 SER SER A . n A 1 122 ALA 122 122 122 ALA ALA A . n A 1 123 ASN 123 123 123 ASN ASN A . n A 1 124 GLN 124 124 124 GLN GLN A . n A 1 125 VAL 125 125 125 VAL VAL A . n A 1 126 LEU 126 126 126 LEU LEU A . n A 1 127 ALA 127 127 127 ALA ALA A . n A 1 128 VAL 128 128 128 VAL VAL A . n A 1 129 GLU 129 129 129 GLU GLU A . n A 1 130 PHE 130 130 130 PHE PHE A . n A 1 131 ASP 131 131 131 ASP ASP A . n A 1 132 THR 132 132 132 THR THR A . n A 1 133 PHE 133 133 133 PHE PHE A . n A 1 134 TYR 134 134 134 TYR TYR A . n A 1 135 ALA 135 135 135 ALA ALA A . n A 1 136 GLN 136 136 136 GLN GLN A . n A 1 137 ASN 137 137 137 ASN ASN A . n A 1 138 SER 138 138 138 SER SER A . n A 1 139 ASN 139 139 139 ASN ASN A . n A 1 140 THR 140 140 140 THR THR A . n A 1 141 TRP 141 141 141 TRP TRP A . n A 1 142 ASP 142 142 142 ASP ASP A . n A 1 143 PRO 143 143 143 PRO PRO A . n A 1 144 ASN 144 144 144 ASN ASN A . n A 1 145 TYR 145 145 145 TYR TYR A . n A 1 146 PRO 146 146 146 PRO PRO A . n A 1 147 HIS 147 147 147 HIS HIS A . n A 1 148 ILE 148 148 148 ILE ILE A . n A 1 149 GLY 149 149 149 GLY GLY A . n A 1 150 ILE 150 150 150 ILE ILE A . n A 1 151 ASP 151 151 151 ASP ASP A . n A 1 152 VAL 152 152 152 VAL VAL A . n A 1 153 ASN 153 153 153 ASN ASN A . n A 1 154 SER 154 154 154 SER SER A . n A 1 155 ILE 155 155 155 ILE ILE A . n A 1 156 LYS 156 156 156 LYS LYS A . n A 1 157 SER 157 157 157 SER SER A . n A 1 158 ALA 158 158 158 ALA ALA A . n A 1 159 LYS 159 159 159 LYS LYS A . n A 1 160 THR 160 160 160 THR THR A . n A 1 161 VAL 161 161 161 VAL VAL A . n A 1 162 ARG 162 162 162 ARG ARG A . n A 1 163 TRP 163 163 163 TRP TRP A . n A 1 164 GLU 164 164 164 GLU GLU A . n A 1 165 ARG 165 165 165 ARG ARG A . n A 1 166 ARG 166 166 166 ARG ARG A . n A 1 167 GLU 167 167 167 GLU GLU A . n A 1 168 GLY 168 168 168 GLY GLY A . n A 1 169 VAL 169 169 169 VAL VAL A . n A 1 170 THR 170 170 170 THR THR A . n A 1 171 LEU 171 171 171 LEU LEU A . n A 1 172 ASN 172 172 172 ASN ASN A . n A 1 173 VAL 173 173 173 VAL VAL A . n A 1 174 LEU 174 174 174 LEU LEU A . n A 1 175 VAL 175 175 175 VAL VAL A . n A 1 176 THR 176 176 176 THR THR A . n A 1 177 TYR 177 177 177 TYR TYR A . n A 1 178 ASN 178 178 178 ASN ASN A . n A 1 179 PRO 179 179 179 PRO PRO A . n A 1 180 SER 180 180 180 SER SER A . n A 1 181 THR 181 181 181 THR THR A . n A 1 182 LYS 182 182 182 LYS LYS A . n A 1 183 THR 183 183 183 THR THR A . n A 1 184 LEU 184 184 184 LEU LEU A . n A 1 185 ASP 185 185 185 ASP ASP A . n A 1 186 VAL 186 186 186 VAL VAL A . n A 1 187 VAL 187 187 187 VAL VAL A . n A 1 188 ALA 188 188 188 ALA ALA A . n A 1 189 THR 189 189 189 THR THR A . n A 1 190 TYR 190 190 190 TYR TYR A . n A 1 191 PRO 191 191 191 PRO PRO A . n A 1 192 ASP 192 192 192 ASP ASP A . n A 1 193 GLY 193 193 193 GLY GLY A . n A 1 194 GLN 194 194 194 GLN GLN A . n A 1 195 ARG 195 195 195 ARG ARG A . n A 1 196 TYR 196 196 196 TYR TYR A . n A 1 197 GLN 197 197 197 GLN GLN A . n A 1 198 ILE 198 198 198 ILE ILE A . n A 1 199 SER 199 199 199 SER SER A . n A 1 200 VAL 200 200 200 VAL VAL A . n A 1 201 VAL 201 201 201 VAL VAL A . n A 1 202 VAL 202 202 202 VAL VAL A . n A 1 203 ASP 203 203 203 ASP ASP A . n A 1 204 VAL 204 204 204 VAL VAL A . n A 1 205 THR 205 205 205 THR THR A . n A 1 206 THR 206 206 206 THR THR A . n A 1 207 VAL 207 207 207 VAL VAL A . n A 1 208 LEU 208 208 208 LEU LEU A . n A 1 209 PRO 209 209 209 PRO PRO A . n A 1 210 GLU 210 210 210 GLU GLU A . n A 1 211 TRP 211 211 211 TRP TRP A . n A 1 212 VAL 212 212 212 VAL VAL A . n A 1 213 ARG 213 213 213 ARG ARG A . n A 1 214 VAL 214 214 214 VAL VAL A . n A 1 215 GLY 215 215 215 GLY GLY A . n A 1 216 PHE 216 216 216 PHE PHE A . n A 1 217 SER 217 217 217 SER SER A . n A 1 218 ALA 218 218 218 ALA ALA A . n A 1 219 ALA 219 219 219 ALA ALA A . n A 1 220 SER 220 220 220 SER SER A . n A 1 221 GLY 221 221 221 GLY GLY A . n A 1 222 GLU 222 222 222 GLU GLU A . n A 1 223 GLN 223 223 223 GLN GLN A . n A 1 224 PHE 224 224 224 PHE PHE A . n A 1 225 GLN 225 225 225 GLN GLN A . n A 1 226 THR 226 226 226 THR THR A . n A 1 227 HIS 227 227 227 HIS HIS A . n A 1 228 ASN 228 228 228 ASN ASN A . n A 1 229 LEU 229 229 229 LEU LEU A . n A 1 230 GLU 230 230 230 GLU GLU A . n A 1 231 SER 231 231 231 SER SER A . n A 1 232 TRP 232 232 232 TRP TRP A . n A 1 233 SER 233 233 233 SER SER A . n A 1 234 PHE 234 234 234 PHE PHE A . n A 1 235 THR 235 235 235 THR THR A . n A 1 236 SER 236 236 236 SER SER A . n A 1 237 THR 237 237 237 THR THR A . n A 1 238 LEU 238 238 238 LEU LEU A . n A 1 239 LEU 239 239 239 LEU LEU A . n A 1 240 TYR 240 240 ? ? ? A . n A 1 241 THR 241 241 ? ? ? A . n A 1 242 ALA 242 242 ? ? ? A . n A 1 243 GLN 243 243 ? ? ? A . n A 1 244 LYS 244 244 ? ? ? A . n A 1 245 GLU 245 245 ? ? ? A . 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 B 2 NAG 1 301 240 NAG NAG A . C 3 CA 1 302 1 CA CA A . D 4 MN 1 303 2 MN MN A . E 5 MDM 1 304 3 MDM MDM A . F 6 HOH 1 401 103 HOH HOH A . F 6 HOH 2 402 101 HOH HOH A . F 6 HOH 3 403 181 HOH HOH A . F 6 HOH 4 404 93 HOH HOH A . F 6 HOH 5 405 169 HOH HOH A . F 6 HOH 6 406 134 HOH HOH A . F 6 HOH 7 407 89 HOH HOH A . F 6 HOH 8 408 79 HOH HOH A . F 6 HOH 9 409 123 HOH HOH A . F 6 HOH 10 410 35 HOH HOH A . F 6 HOH 11 411 177 HOH HOH A . F 6 HOH 12 412 73 HOH HOH A . F 6 HOH 13 413 45 HOH HOH A . F 6 HOH 14 414 85 HOH HOH A . F 6 HOH 15 415 111 HOH HOH A . F 6 HOH 16 416 168 HOH HOH A . F 6 HOH 17 417 174 HOH HOH A . F 6 HOH 18 418 143 HOH HOH A . F 6 HOH 19 419 17 HOH HOH A . F 6 HOH 20 420 150 HOH HOH A . F 6 HOH 21 421 107 HOH HOH A . F 6 HOH 22 422 144 HOH HOH A . F 6 HOH 23 423 100 HOH HOH A . F 6 HOH 24 424 5 HOH HOH A . F 6 HOH 25 425 9 HOH HOH A . F 6 HOH 26 426 21 HOH HOH A . F 6 HOH 27 427 71 HOH HOH A . F 6 HOH 28 428 77 HOH HOH A . F 6 HOH 29 429 41 HOH HOH A . F 6 HOH 30 430 7 HOH HOH A . F 6 HOH 31 431 66 HOH HOH A . F 6 HOH 32 432 127 HOH HOH A . F 6 HOH 33 433 12 HOH HOH A . F 6 HOH 34 434 131 HOH HOH A . F 6 HOH 35 435 34 HOH HOH A . F 6 HOH 36 436 157 HOH HOH A . F 6 HOH 37 437 13 HOH HOH A . F 6 HOH 38 438 58 HOH HOH A . F 6 HOH 39 439 56 HOH HOH A . F 6 HOH 40 440 46 HOH HOH A . F 6 HOH 41 441 8 HOH HOH A . F 6 HOH 42 442 60 HOH HOH A . F 6 HOH 43 443 116 HOH HOH A . F 6 HOH 44 444 108 HOH HOH A . F 6 HOH 45 445 166 HOH HOH A . F 6 HOH 46 446 84 HOH HOH A . F 6 HOH 47 447 165 HOH HOH A . F 6 HOH 48 448 141 HOH HOH A . F 6 HOH 49 449 170 HOH HOH A . F 6 HOH 50 450 136 HOH HOH A . F 6 HOH 51 451 67 HOH HOH A . F 6 HOH 52 452 223 HOH HOH A . F 6 HOH 53 453 76 HOH HOH A . F 6 HOH 54 454 87 HOH HOH A . F 6 HOH 55 455 119 HOH HOH A . F 6 HOH 56 456 222 HOH HOH A . F 6 HOH 57 457 215 HOH HOH A . F 6 HOH 58 458 121 HOH HOH A . F 6 HOH 59 459 151 HOH HOH A . F 6 HOH 60 460 15 HOH HOH A . F 6 HOH 61 461 94 HOH HOH A . F 6 HOH 62 462 26 HOH HOH A . F 6 HOH 63 463 193 HOH HOH A . F 6 HOH 64 464 125 HOH HOH A . F 6 HOH 65 465 173 HOH HOH A . F 6 HOH 66 466 6 HOH HOH A . F 6 HOH 67 467 105 HOH HOH A . F 6 HOH 68 468 148 HOH HOH A . F 6 HOH 69 469 24 HOH HOH A . F 6 HOH 70 470 48 HOH HOH A . F 6 HOH 71 471 2 HOH HOH A . F 6 HOH 72 472 221 HOH HOH A . F 6 HOH 73 473 52 HOH HOH A . F 6 HOH 74 474 114 HOH HOH A . F 6 HOH 75 475 36 HOH HOH A . F 6 HOH 76 476 51 HOH HOH A . F 6 HOH 77 477 172 HOH HOH A . F 6 HOH 78 478 97 HOH HOH A . F 6 HOH 79 479 61 HOH HOH A . F 6 HOH 80 480 16 HOH HOH A . F 6 HOH 81 481 142 HOH HOH A . F 6 HOH 82 482 72 HOH HOH A . F 6 HOH 83 483 57 HOH HOH A . F 6 HOH 84 484 113 HOH HOH A . F 6 HOH 85 485 160 HOH HOH A . F 6 HOH 86 486 62 HOH HOH A . F 6 HOH 87 487 211 HOH HOH A . F 6 HOH 88 488 32 HOH HOH A . F 6 HOH 89 489 135 HOH HOH A . F 6 HOH 90 490 152 HOH HOH A . F 6 HOH 91 491 171 HOH HOH A . F 6 HOH 92 492 20 HOH HOH A . F 6 HOH 93 493 159 HOH HOH A . F 6 HOH 94 494 99 HOH HOH A . F 6 HOH 95 495 212 HOH HOH A . F 6 HOH 96 496 40 HOH HOH A . F 6 HOH 97 497 23 HOH HOH A . F 6 HOH 98 498 115 HOH HOH A . F 6 HOH 99 499 1 HOH HOH A . F 6 HOH 100 500 130 HOH HOH A . F 6 HOH 101 501 42 HOH HOH A . F 6 HOH 102 502 104 HOH HOH A . F 6 HOH 103 503 153 HOH HOH A . F 6 HOH 104 504 82 HOH HOH A . F 6 HOH 105 505 164 HOH HOH A . F 6 HOH 106 506 38 HOH HOH A . F 6 HOH 107 507 98 HOH HOH A . F 6 HOH 108 508 117 HOH HOH A . F 6 HOH 109 509 198 HOH HOH A . F 6 HOH 110 510 219 HOH HOH A . F 6 HOH 111 511 22 HOH HOH A . F 6 HOH 112 512 19 HOH HOH A . F 6 HOH 113 513 138 HOH HOH A . F 6 HOH 114 514 70 HOH HOH A . F 6 HOH 115 515 14 HOH HOH A . F 6 HOH 116 516 226 HOH HOH A . F 6 HOH 117 517 90 HOH HOH A . F 6 HOH 118 518 28 HOH HOH A . F 6 HOH 119 519 63 HOH HOH A . F 6 HOH 120 520 146 HOH HOH A . F 6 HOH 121 521 161 HOH HOH A . F 6 HOH 122 522 140 HOH HOH A . F 6 HOH 123 523 109 HOH HOH A . F 6 HOH 124 524 31 HOH HOH A . F 6 HOH 125 525 18 HOH HOH A . F 6 HOH 126 526 78 HOH HOH A . F 6 HOH 127 527 128 HOH HOH A . F 6 HOH 128 528 88 HOH HOH A . F 6 HOH 129 529 47 HOH HOH A . F 6 HOH 130 530 225 HOH HOH A . F 6 HOH 131 531 81 HOH HOH A . F 6 HOH 132 532 55 HOH HOH A . F 6 HOH 133 533 91 HOH HOH A . F 6 HOH 134 534 186 HOH HOH A . F 6 HOH 135 535 122 HOH HOH A . F 6 HOH 136 536 53 HOH HOH A . F 6 HOH 137 537 92 HOH HOH A . F 6 HOH 138 538 64 HOH HOH A . F 6 HOH 139 539 154 HOH HOH A . F 6 HOH 140 540 65 HOH HOH A . F 6 HOH 141 541 33 HOH HOH A . F 6 HOH 142 542 120 HOH HOH A . F 6 HOH 143 543 49 HOH HOH A . F 6 HOH 144 544 25 HOH HOH A . F 6 HOH 145 545 3 HOH HOH A . F 6 HOH 146 546 183 HOH HOH A . F 6 HOH 147 547 202 HOH HOH A . F 6 HOH 148 548 156 HOH HOH A . F 6 HOH 149 549 203 HOH HOH A . F 6 HOH 150 550 106 HOH HOH A . F 6 HOH 151 551 30 HOH HOH A . F 6 HOH 152 552 163 HOH HOH A . F 6 HOH 153 553 218 HOH HOH A . F 6 HOH 154 554 50 HOH HOH A . F 6 HOH 155 555 129 HOH HOH A . F 6 HOH 156 556 110 HOH HOH A . F 6 HOH 157 557 75 HOH HOH A . F 6 HOH 158 558 11 HOH HOH A . F 6 HOH 159 559 68 HOH HOH A . F 6 HOH 160 560 43 HOH HOH A . F 6 HOH 161 561 4 HOH HOH A . F 6 HOH 162 562 132 HOH HOH A . F 6 HOH 163 563 201 HOH HOH A . F 6 HOH 164 564 39 HOH HOH A . F 6 HOH 165 565 149 HOH HOH A . F 6 HOH 166 566 95 HOH HOH A . F 6 HOH 167 567 86 HOH HOH A . F 6 HOH 168 568 37 HOH HOH A . F 6 HOH 169 569 155 HOH HOH A . F 6 HOH 170 570 205 HOH HOH A . F 6 HOH 171 571 112 HOH HOH A . F 6 HOH 172 572 147 HOH HOH A . F 6 HOH 173 573 145 HOH HOH A . F 6 HOH 174 574 10 HOH HOH A . F 6 HOH 175 575 44 HOH HOH A . F 6 HOH 176 576 133 HOH HOH A . F 6 HOH 177 577 83 HOH HOH A . F 6 HOH 178 578 54 HOH HOH A . F 6 HOH 179 579 187 HOH HOH A . F 6 HOH 180 580 162 HOH HOH A . F 6 HOH 181 581 126 HOH HOH A . F 6 HOH 182 582 182 HOH HOH A . F 6 HOH 183 583 27 HOH HOH A . F 6 HOH 184 584 29 HOH HOH A . F 6 HOH 185 585 102 HOH HOH A . F 6 HOH 186 586 224 HOH HOH A . F 6 HOH 187 587 80 HOH HOH A . F 6 HOH 188 588 188 HOH HOH A . F 6 HOH 189 589 192 HOH HOH A . F 6 HOH 190 590 194 HOH HOH A . F 6 HOH 191 591 176 HOH HOH A . F 6 HOH 192 592 69 HOH HOH A . F 6 HOH 193 593 167 HOH HOH A . F 6 HOH 194 594 124 HOH HOH A . F 6 HOH 195 595 220 HOH HOH A . F 6 HOH 196 596 179 HOH HOH A . F 6 HOH 197 597 96 HOH HOH A . F 6 HOH 198 598 189 HOH HOH A . F 6 HOH 199 599 180 HOH HOH A . F 6 HOH 200 600 217 HOH HOH A . F 6 HOH 201 601 209 HOH HOH A . F 6 HOH 202 602 200 HOH HOH A . F 6 HOH 203 603 206 HOH HOH A . F 6 HOH 204 604 195 HOH HOH A . F 6 HOH 205 605 214 HOH HOH A . F 6 HOH 206 606 175 HOH HOH A . F 6 HOH 207 607 178 HOH HOH A . F 6 HOH 208 608 191 HOH HOH A . F 6 HOH 209 609 139 HOH HOH A . F 6 HOH 210 610 59 HOH HOH A . F 6 HOH 211 611 118 HOH HOH A . F 6 HOH 212 612 190 HOH HOH A . F 6 HOH 213 613 199 HOH HOH A . F 6 HOH 214 614 210 HOH HOH A . F 6 HOH 215 615 137 HOH HOH A . F 6 HOH 216 616 197 HOH HOH A . F 6 HOH 217 617 196 HOH HOH A . F 6 HOH 218 618 213 HOH HOH A . F 6 HOH 219 619 74 HOH HOH A . F 6 HOH 220 620 184 HOH HOH A . F 6 HOH 221 621 185 HOH HOH A . F 6 HOH 222 622 204 HOH HOH A . F 6 HOH 223 623 207 HOH HOH A . F 6 HOH 224 624 158 HOH HOH A . F 6 HOH 225 625 216 HOH HOH A . F 6 HOH 226 626 208 HOH HOH A . # _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 dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F # 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)' 3570 ? 1 MORE -32 ? 1 'SSA (A^2)' 18990 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 8_555 -y,-x,-z+1/2 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 64.2250000000 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id A _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 542 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id F _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # 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 OE2 ? A GLU 129 ? A GLU 129 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 OD2 ? A ASP 131 ? A ASP 131 ? 1_555 94.7 ? 2 OE2 ? A GLU 129 ? A GLU 129 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 OD1 ? A ASP 142 ? A ASP 142 ? 1_555 173.2 ? 3 OD2 ? A ASP 131 ? A ASP 131 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 OD1 ? A ASP 142 ? A ASP 142 ? 1_555 91.9 ? 4 OE2 ? A GLU 129 ? A GLU 129 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 NE2 ? A HIS 147 ? A HIS 147 ? 1_555 88.5 ? 5 OD2 ? A ASP 131 ? A ASP 131 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 NE2 ? A HIS 147 ? A HIS 147 ? 1_555 92.1 ? 6 OD1 ? A ASP 142 ? A ASP 142 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 NE2 ? A HIS 147 ? A HIS 147 ? 1_555 89.4 ? 7 OE2 ? A GLU 129 ? A GLU 129 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 O ? F HOH . ? A HOH 419 ? 1_555 88.1 ? 8 OD2 ? A ASP 131 ? A ASP 131 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 O ? F HOH . ? A HOH 419 ? 1_555 89.8 ? 9 OD1 ? A ASP 142 ? A ASP 142 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 O ? F HOH . ? A HOH 419 ? 1_555 93.9 ? 10 NE2 ? A HIS 147 ? A HIS 147 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 O ? F HOH . ? A HOH 419 ? 1_555 176.2 ? 11 OE2 ? A GLU 129 ? A GLU 129 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 O ? F HOH . ? A HOH 476 ? 1_555 86.3 ? 12 OD2 ? A ASP 131 ? A ASP 131 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 O ? F HOH . ? A HOH 476 ? 1_555 178.2 ? 13 OD1 ? A ASP 142 ? A ASP 142 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 O ? F HOH . ? A HOH 476 ? 1_555 87.2 ? 14 NE2 ? A HIS 147 ? A HIS 147 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 O ? F HOH . ? A HOH 476 ? 1_555 89.4 ? 15 O ? F HOH . ? A HOH 419 ? 1_555 MN ? D MN . ? A MN 303 ? 1_555 O ? F HOH . ? A HOH 476 ? 1_555 88.7 ? 16 OD1 ? A ASP 131 ? A ASP 131 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 OD2 ? A ASP 131 ? A ASP 131 ? 1_555 53.2 ? 17 OD1 ? A ASP 131 ? A ASP 131 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? A PHE 133 ? A PHE 133 ? 1_555 76.6 ? 18 OD2 ? A ASP 131 ? A ASP 131 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? A PHE 133 ? A PHE 133 ? 1_555 114.8 ? 19 OD1 ? A ASP 131 ? A ASP 131 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 OD2 ? A ASP 142 ? A ASP 142 ? 1_555 112.2 ? 20 OD2 ? A ASP 131 ? A ASP 131 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 OD2 ? A ASP 142 ? A ASP 142 ? 1_555 80.4 ? 21 O ? A PHE 133 ? A PHE 133 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 OD2 ? A ASP 142 ? A ASP 142 ? 1_555 83.9 ? 22 OD1 ? A ASP 131 ? A ASP 131 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 426 ? 1_555 110.5 ? 23 OD2 ? A ASP 131 ? A ASP 131 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 426 ? 1_555 71.6 ? 24 O ? A PHE 133 ? A PHE 133 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 426 ? 1_555 172.8 ? 25 OD2 ? A ASP 142 ? A ASP 142 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 426 ? 1_555 94.2 ? 26 OD1 ? A ASP 131 ? A ASP 131 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 525 ? 1_555 73.2 ? 27 OD2 ? A ASP 131 ? A ASP 131 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 525 ? 1_555 110.9 ? 28 O ? A PHE 133 ? A PHE 133 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 525 ? 1_555 86.9 ? 29 OD2 ? A ASP 142 ? A ASP 142 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 525 ? 1_555 167.8 ? 30 O ? F HOH . ? A HOH 426 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 525 ? 1_555 93.9 ? # 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 2016-03-16 2 'Structure model' 1 1 2016-03-30 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALA ? ? ? 3.3.22 1 ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? . 2 ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.15 3 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? MOSFLM ? ? ? . 4 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 ND2 A ASN 119 ? ? O5 A NAG 301 ? ? 2.10 2 1 CG A ASN 119 ? ? C1 A NAG 301 ? ? 2.17 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 SER A 138 ? ? -147.71 -26.77 2 1 ASN A 139 ? ? -107.48 66.49 3 1 ASN A 144 ? ? -85.56 47.37 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A TYR 240 ? A TYR 240 2 1 Y 1 A THR 241 ? A THR 241 3 1 Y 1 A ALA 242 ? A ALA 242 4 1 Y 1 A GLN 243 ? A GLN 243 5 1 Y 1 A LYS 244 ? A LYS 244 6 1 Y 1 A GLU 245 ? A GLU 245 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 'CALCIUM ION' CA 4 'MANGANESE (II) ION' MN 5 'METHYL-O3-(ALPHA-D-MANNOSE)-ALPHA-D-MANNOSE' MDM 6 water HOH #