data_3MW4 # _entry.id 3MW4 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3MW4 RCSB RCSB059067 WWPDB D_1000059067 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3MW2 . unspecified PDB 3MW3 . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3MW4 _pdbx_database_status.recvd_initial_deposition_date 2010-05-05 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jin, X.' 1 'Shapiro, L.' 2 # _citation.id primary _citation.title 'Splice Form Dependence of beta-Neurexin/Neuroligin Binding Interactions.' _citation.journal_abbrev Neuron _citation.journal_volume 67 _citation.page_first 61 _citation.page_last 74 _citation.year 2010 _citation.journal_id_ASTM NERNET _citation.country US _citation.journal_id_ISSN 0896-6273 _citation.journal_id_CSD 2038 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 20624592 _citation.pdbx_database_id_DOI 10.1016/j.neuron.2010.06.001 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Koehnke, J.' 1 primary 'Katsamba, P.S.' 2 primary 'Ahlsen, G.' 3 primary 'Bahna, F.' 4 primary 'Vendome, J.' 5 primary 'Honig, B.' 6 primary 'Shapiro, L.' 7 primary 'Jin, X.' 8 # _cell.entry_id 3MW4 _cell.length_a 74.714 _cell.length_b 83.398 _cell.length_c 119.800 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 12 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3MW4 _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man Neurexin-2-beta 19393.906 3 ? ? 'UNP residues 854 to 1027' ? 2 non-polymer syn 'CALCIUM ION' 40.078 1 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 3 ? ? ? ? 5 non-polymer syn 'SULFATE ION' 96.063 8 ? ? ? ? 6 water nat water 18.015 727 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Neurexin III-alpha' # _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 ;GPGSATYIFGKSGGLILYTWPANDRPSTRSDRLAVGFSTTVKDGILVRIDSAPGLGDFLQLHIEQGKIGVVFNIGTVDIS IKEERTPVNDGKYHVVRFTRNGANATLQVDNWPVNEHYPTGRQLTIFNTQAQIAIGGKDKGRLFQGQLSGLYYDGLKVLN MAAENNPNIKINGSVRLV ; _entity_poly.pdbx_seq_one_letter_code_can ;GPGSATYIFGKSGGLILYTWPANDRPSTRSDRLAVGFSTTVKDGILVRIDSAPGLGDFLQLHIEQGKIGVVFNIGTVDIS IKEERTPVNDGKYHVVRFTRNGANATLQVDNWPVNEHYPTGRQLTIFNTQAQIAIGGKDKGRLFQGQLSGLYYDGLKVLN MAAENNPNIKINGSVRLV ; _entity_poly.pdbx_strand_id A,B,C _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 GLY n 1 2 PRO n 1 3 GLY n 1 4 SER n 1 5 ALA n 1 6 THR n 1 7 TYR n 1 8 ILE n 1 9 PHE n 1 10 GLY n 1 11 LYS n 1 12 SER n 1 13 GLY n 1 14 GLY n 1 15 LEU n 1 16 ILE n 1 17 LEU n 1 18 TYR n 1 19 THR n 1 20 TRP n 1 21 PRO n 1 22 ALA n 1 23 ASN n 1 24 ASP n 1 25 ARG n 1 26 PRO n 1 27 SER n 1 28 THR n 1 29 ARG n 1 30 SER n 1 31 ASP n 1 32 ARG n 1 33 LEU n 1 34 ALA n 1 35 VAL n 1 36 GLY n 1 37 PHE n 1 38 SER n 1 39 THR n 1 40 THR n 1 41 VAL n 1 42 LYS n 1 43 ASP n 1 44 GLY n 1 45 ILE n 1 46 LEU n 1 47 VAL n 1 48 ARG n 1 49 ILE n 1 50 ASP n 1 51 SER n 1 52 ALA n 1 53 PRO n 1 54 GLY n 1 55 LEU n 1 56 GLY n 1 57 ASP n 1 58 PHE n 1 59 LEU n 1 60 GLN n 1 61 LEU n 1 62 HIS n 1 63 ILE n 1 64 GLU n 1 65 GLN n 1 66 GLY n 1 67 LYS n 1 68 ILE n 1 69 GLY n 1 70 VAL n 1 71 VAL n 1 72 PHE n 1 73 ASN n 1 74 ILE n 1 75 GLY n 1 76 THR n 1 77 VAL n 1 78 ASP n 1 79 ILE n 1 80 SER n 1 81 ILE n 1 82 LYS n 1 83 GLU n 1 84 GLU n 1 85 ARG n 1 86 THR n 1 87 PRO n 1 88 VAL n 1 89 ASN n 1 90 ASP n 1 91 GLY n 1 92 LYS n 1 93 TYR n 1 94 HIS n 1 95 VAL n 1 96 VAL n 1 97 ARG n 1 98 PHE n 1 99 THR n 1 100 ARG n 1 101 ASN n 1 102 GLY n 1 103 ALA n 1 104 ASN n 1 105 ALA n 1 106 THR n 1 107 LEU n 1 108 GLN n 1 109 VAL n 1 110 ASP n 1 111 ASN n 1 112 TRP n 1 113 PRO n 1 114 VAL n 1 115 ASN n 1 116 GLU n 1 117 HIS n 1 118 TYR n 1 119 PRO n 1 120 THR n 1 121 GLY n 1 122 ARG n 1 123 GLN n 1 124 LEU n 1 125 THR n 1 126 ILE n 1 127 PHE n 1 128 ASN n 1 129 THR n 1 130 GLN n 1 131 ALA n 1 132 GLN n 1 133 ILE n 1 134 ALA n 1 135 ILE n 1 136 GLY n 1 137 GLY n 1 138 LYS n 1 139 ASP n 1 140 LYS n 1 141 GLY n 1 142 ARG n 1 143 LEU n 1 144 PHE n 1 145 GLN n 1 146 GLY n 1 147 GLN n 1 148 LEU n 1 149 SER n 1 150 GLY n 1 151 LEU n 1 152 TYR n 1 153 TYR n 1 154 ASP n 1 155 GLY n 1 156 LEU n 1 157 LYS n 1 158 VAL n 1 159 LEU n 1 160 ASN n 1 161 MET n 1 162 ALA n 1 163 ALA n 1 164 GLU n 1 165 ASN n 1 166 ASN n 1 167 PRO n 1 168 ASN n 1 169 ILE n 1 170 LYS n 1 171 ILE n 1 172 ASN n 1 173 GLY n 1 174 SER n 1 175 VAL n 1 176 ARG n 1 177 LEU n 1 178 VAL n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name mouse _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'C14orf60, KIAA0743, mKIAA0743, Nrxn3' _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Mus musculus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10090 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name human _entity_src_gen.pdbx_host_org_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9606 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line HEK293 _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code Q6ZQ56_MOUSE _struct_ref.pdbx_db_accession Q6ZQ56 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;ATYIFGKSGGLILYTWPANDRPSTRSDRLAVGFSTTVKDGILVRIDSAPGLGDFLQLHIEQGKIGVVFNIGTVDISIKEE RTPVNDGKYHVVRFTRNGGNATLQVDNWPVNEHYPTGRQLTIFNTQAQIAIGGKDKGRLFQGQLSGLYYDGLKVLNMAAE NNPNIKINGSVRLV ; _struct_ref.pdbx_align_begin 854 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3MW4 A 5 ? 178 ? Q6ZQ56 854 ? 1027 ? 83 256 2 1 3MW4 B 5 ? 178 ? Q6ZQ56 854 ? 1027 ? 83 256 3 1 3MW4 C 5 ? 178 ? Q6ZQ56 854 ? 1027 ? 83 256 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 3MW4 GLY A 1 ? UNP Q6ZQ56 ? ? 'EXPRESSION TAG' 79 1 1 3MW4 PRO A 2 ? UNP Q6ZQ56 ? ? 'EXPRESSION TAG' 80 2 1 3MW4 GLY A 3 ? UNP Q6ZQ56 ? ? 'EXPRESSION TAG' 81 3 1 3MW4 SER A 4 ? UNP Q6ZQ56 ? ? 'EXPRESSION TAG' 82 4 1 3MW4 ALA A 103 ? UNP Q6ZQ56 GLY 952 ENGINEERED 181 5 2 3MW4 GLY B 1 ? UNP Q6ZQ56 ? ? 'EXPRESSION TAG' 79 6 2 3MW4 PRO B 2 ? UNP Q6ZQ56 ? ? 'EXPRESSION TAG' 80 7 2 3MW4 GLY B 3 ? UNP Q6ZQ56 ? ? 'EXPRESSION TAG' 81 8 2 3MW4 SER B 4 ? UNP Q6ZQ56 ? ? 'EXPRESSION TAG' 82 9 2 3MW4 ALA B 103 ? UNP Q6ZQ56 GLY 952 ENGINEERED 181 10 3 3MW4 GLY C 1 ? UNP Q6ZQ56 ? ? 'EXPRESSION TAG' 79 11 3 3MW4 PRO C 2 ? UNP Q6ZQ56 ? ? 'EXPRESSION TAG' 80 12 3 3MW4 GLY C 3 ? UNP Q6ZQ56 ? ? 'EXPRESSION TAG' 81 13 3 3MW4 SER C 4 ? UNP Q6ZQ56 ? ? 'EXPRESSION TAG' 82 14 3 3MW4 ALA C 103 ? UNP Q6ZQ56 GLY 952 ENGINEERED 181 15 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 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 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 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 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3MW4 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.21 _exptl_crystal.density_percent_sol 61.65 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5 _exptl_crystal_grow.pdbx_details '27% PEG3350, 0.2M lithium sulfate, 0.1M sodium acetate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MAR CCD 165 mm' _diffrn_detector.pdbx_collection_date 2009-06-12 _diffrn_detector.details 'Si (111) crystal monochromator with vertical focusing mirror' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'Si 111' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9795 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'NSLS BEAMLINE X4C' _diffrn_source.pdbx_synchrotron_site NSLS _diffrn_source.pdbx_synchrotron_beamline X4C _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.9795 # _reflns.entry_id 3MW4 _reflns.observed_criterion_sigma_I 1 _reflns.observed_criterion_sigma_F 1 _reflns.d_resolution_low 50 _reflns.d_resolution_high 2.0 _reflns.number_obs 51068 _reflns.number_all 59661 _reflns.percent_possible_obs 85.6 _reflns.pdbx_Rmerge_I_obs 0.120 _reflns.pdbx_Rsym_value 0.12 _reflns.pdbx_netI_over_sigmaI 14.2 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 5.9 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _refine.entry_id 3MW4 _refine.ls_number_reflns_obs 48469 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F . _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 20.00 _refine.ls_d_res_high 2.00 _refine.ls_percent_reflns_obs 99.71 _refine.ls_R_factor_obs 0.17856 _refine.ls_R_factor_all 0.18 _refine.ls_R_factor_R_work 0.17667 _refine.ls_R_factor_R_free 0.21453 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 2591 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.954 _refine.correlation_coeff_Fo_to_Fc_free 0.929 _refine.B_iso_mean 30.558 _refine.aniso_B[1][1] -0.05 _refine.aniso_B[2][2] -0.65 _refine.aniso_B[3][3] 0.70 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free 0.143 _refine.overall_SU_ML 0.093 _refine.overall_SU_B 6.309 _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_ESU_R ? _refine.pdbx_TLS_residual_ADP_flag 'LIKELY RESIDUAL' _refine.pdbx_diffrn_id 1 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 4110 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 158 _refine_hist.number_atoms_solvent 727 _refine_hist.number_atoms_total 4995 _refine_hist.d_res_high 2.00 _refine_hist.d_res_low 20.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.009 0.022 ? 4552 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.196 1.993 ? 6243 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.510 5.000 ? 596 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 39.613 23.846 ? 208 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 13.189 15.000 ? 746 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 16.967 15.000 ? 37 'X-RAY DIFFRACTION' ? r_chiral_restr 0.073 0.200 ? 714 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.003 0.020 ? 3446 'X-RAY DIFFRACTION' ? r_nbd_refined 0.188 0.200 ? 1953 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.301 0.200 ? 3081 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.141 0.200 ? 615 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.154 0.200 ? 27 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.194 0.200 ? 18 'X-RAY DIFFRACTION' ? r_mcbond_it 0.497 1.500 ? 2820 'X-RAY DIFFRACTION' ? r_mcangle_it 0.794 2.000 ? 4434 'X-RAY DIFFRACTION' ? r_scbond_it 1.449 3.000 ? 1943 'X-RAY DIFFRACTION' ? r_scangle_it 2.334 4.500 ? 1767 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.000 _refine_ls_shell.d_res_low 2.051 _refine_ls_shell.number_reflns_R_work 3481 _refine_ls_shell.R_factor_R_work 0.233 _refine_ls_shell.percent_reflns_obs 99.68 _refine_ls_shell.R_factor_R_free 0.306 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 200 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3MW4 _struct.title 'Crystal structure of beta-neurexin 3 without the splice insert 4' _struct.pdbx_descriptor Neurexin-3-alpha _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3MW4 _struct_keywords.pdbx_keywords 'CELL ADHESION' _struct_keywords.text 'NEUREXIN, LNS domain, CALCIUM-binding, CELL ADHESION, GLYCOPROTEIN' # 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 1 ? C N N 1 ? D N N 2 ? E N N 3 ? F N N 3 ? G N N 4 ? H N N 5 ? I N N 5 ? J N N 3 ? K N N 3 ? L N N 4 ? M N N 5 ? N N N 5 ? O N N 5 ? P N N 3 ? Q N N 3 ? R N N 4 ? S N N 5 ? T N N 5 ? U N N 5 ? V N N 6 ? W N N 6 ? X N N 6 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 PRO A 21 ? ARG A 25 ? PRO A 99 ARG A 103 5 ? 5 HELX_P HELX_P2 2 GLY A 137 ? GLY A 141 ? GLY A 215 GLY A 219 5 ? 5 HELX_P HELX_P3 3 LYS A 157 ? GLU A 164 ? LYS A 235 GLU A 242 1 ? 8 HELX_P HELX_P4 4 PRO B 21 ? ARG B 25 ? PRO B 99 ARG B 103 5 ? 5 HELX_P HELX_P5 5 GLY B 137 ? GLY B 141 ? GLY B 215 GLY B 219 5 ? 5 HELX_P HELX_P6 6 LYS B 157 ? GLU B 164 ? LYS B 235 GLU B 242 1 ? 8 HELX_P HELX_P7 7 PRO C 21 ? ARG C 25 ? PRO C 99 ARG C 103 5 ? 5 HELX_P HELX_P8 8 GLY C 137 ? GLY C 141 ? GLY C 215 GLY C 219 5 ? 5 HELX_P HELX_P9 9 LYS C 157 ? GLU C 164 ? LYS C 235 GLU C 242 1 ? 8 # _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 ? ? J NAG . O6 ? ? ? 1_555 L BMA . C1 ? ? B NAG 301 B BMA 303 1_555 ? ? ? ? ? ? ? 1.441 ? covale2 covale ? ? E NAG . O6 ? ? ? 1_555 G BMA . C1 ? ? A NAG 301 A BMA 303 1_555 ? ? ? ? ? ? ? 1.441 ? covale3 covale ? ? P NAG . O6 ? ? ? 1_555 R BMA . C1 ? ? C NAG 301 C BMA 303 1_555 ? ? ? ? ? ? ? 1.441 ? covale4 covale ? ? C ASN 104 ND2 ? ? ? 1_555 P NAG . C1 ? ? C ASN 182 C NAG 301 1_555 ? ? ? ? ? ? ? 1.445 ? covale5 covale ? ? J NAG . O4 ? ? ? 1_555 K NAG . C1 ? ? B NAG 301 B NAG 302 1_555 ? ? ? ? ? ? ? 1.445 ? covale6 covale ? ? A ASN 104 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 182 A NAG 301 1_555 ? ? ? ? ? ? ? 1.447 ? covale7 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 301 A NAG 302 1_555 ? ? ? ? ? ? ? 1.447 ? covale8 covale ? ? B ASN 104 ND2 ? ? ? 1_555 J NAG . C1 ? ? B ASN 182 B NAG 301 1_555 ? ? ? ? ? ? ? 1.452 ? covale9 covale ? ? P NAG . O4 ? ? ? 1_555 Q NAG . C1 ? ? C NAG 301 C NAG 302 1_555 ? ? ? ? ? ? ? 1.452 ? metalc1 metalc ? ? A ASN 128 OD1 B ? ? 1_555 D CA . CA ? ? A ASN 206 A CA 1 1_555 ? ? ? ? ? ? ? 2.614 ? metalc2 metalc ? ? D CA . CA ? ? ? 1_555 V HOH . O ? ? A CA 1 A HOH 300 1_555 ? ? ? ? ? ? ? 2.638 ? metalc3 metalc ? ? A ASP 57 OD2 ? ? ? 1_555 D CA . CA ? ? A ASP 135 A CA 1 1_555 ? ? ? ? ? ? ? 2.774 ? metalc4 metalc ? ? A ILE 74 O ? ? ? 1_555 D CA . CA ? ? A ILE 152 A CA 1 1_555 ? ? ? ? ? ? ? 2.780 ? metalc5 metalc ? ? A ILE 126 O ? ? ? 1_555 D CA . CA ? ? A ILE 204 A CA 1 1_555 ? ? ? ? ? ? ? 2.954 ? metalc6 metalc ? ? D CA . CA ? ? ? 1_555 V HOH . O ? ? A CA 1 A HOH 576 1_555 ? ? ? ? ? ? ? 3.184 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference covale ? ? metalc ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 11 ? B ? 7 ? C ? 11 ? D ? 7 ? E ? 11 ? F ? 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 A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel A 6 7 ? anti-parallel A 7 8 ? anti-parallel A 8 9 ? anti-parallel A 9 10 ? anti-parallel A 10 11 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? anti-parallel B 5 6 ? anti-parallel B 6 7 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel C 6 7 ? anti-parallel C 7 8 ? anti-parallel C 8 9 ? anti-parallel C 9 10 ? anti-parallel C 10 11 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel D 5 6 ? anti-parallel D 6 7 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel E 4 5 ? anti-parallel E 5 6 ? anti-parallel E 6 7 ? anti-parallel E 7 8 ? anti-parallel E 8 9 ? anti-parallel E 9 10 ? anti-parallel E 10 11 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel F 4 5 ? anti-parallel F 5 6 ? anti-parallel F 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 A 1 ILE A 79 ? LYS A 82 ? ILE A 157 LYS A 160 A 2 LYS A 67 ? ASN A 73 ? LYS A 145 ASN A 151 A 3 PHE A 58 ? GLU A 64 ? PHE A 136 GLU A 142 A 4 ASP A 43 ? SER A 51 ? ASP A 121 SER A 129 A 5 GLN A 130 ? ILE A 135 ? GLN A 208 ILE A 213 A 6 THR A 6 ? THR A 19 ? THR A 84 THR A 97 A 7 GLY A 146 ? TYR A 153 ? GLY A 224 TYR A 231 A 8 SER A 30 ? SER A 38 ? SER A 108 SER A 116 A 9 HIS A 94 ? ASN A 101 ? HIS A 172 ASN A 179 A 10 ASN A 104 ? VAL A 109 ? ASN A 182 VAL A 187 A 11 ASN A 115 ? HIS A 117 ? ASN A 193 HIS A 195 B 1 ILE A 79 ? LYS A 82 ? ILE A 157 LYS A 160 B 2 LYS A 67 ? ASN A 73 ? LYS A 145 ASN A 151 B 3 PHE A 58 ? GLU A 64 ? PHE A 136 GLU A 142 B 4 ASP A 43 ? SER A 51 ? ASP A 121 SER A 129 B 5 GLN A 130 ? ILE A 135 ? GLN A 208 ILE A 213 B 6 THR A 6 ? THR A 19 ? THR A 84 THR A 97 B 7 ILE A 169 ? VAL A 178 ? ILE A 247 VAL A 256 C 1 ASP B 78 ? LYS B 82 ? ASP B 156 LYS B 160 C 2 LYS B 67 ? ASN B 73 ? LYS B 145 ASN B 151 C 3 PHE B 58 ? GLU B 64 ? PHE B 136 GLU B 142 C 4 GLY B 44 ? SER B 51 ? GLY B 122 SER B 129 C 5 GLN B 130 ? ILE B 135 ? GLN B 208 ILE B 213 C 6 THR B 6 ? THR B 19 ? THR B 84 THR B 97 C 7 GLY B 146 ? TYR B 153 ? GLY B 224 TYR B 231 C 8 SER B 30 ? SER B 38 ? SER B 108 SER B 116 C 9 HIS B 94 ? ASN B 101 ? HIS B 172 ASN B 179 C 10 ASN B 104 ? VAL B 109 ? ASN B 182 VAL B 187 C 11 ASN B 115 ? HIS B 117 ? ASN B 193 HIS B 195 D 1 ASP B 78 ? LYS B 82 ? ASP B 156 LYS B 160 D 2 LYS B 67 ? ASN B 73 ? LYS B 145 ASN B 151 D 3 PHE B 58 ? GLU B 64 ? PHE B 136 GLU B 142 D 4 GLY B 44 ? SER B 51 ? GLY B 122 SER B 129 D 5 GLN B 130 ? ILE B 135 ? GLN B 208 ILE B 213 D 6 THR B 6 ? THR B 19 ? THR B 84 THR B 97 D 7 ILE B 169 ? LEU B 177 ? ILE B 247 LEU B 255 E 1 ILE C 79 ? LYS C 82 ? ILE C 157 LYS C 160 E 2 LYS C 67 ? ASN C 73 ? LYS C 145 ASN C 151 E 3 PHE C 58 ? GLU C 64 ? PHE C 136 GLU C 142 E 4 GLY C 44 ? SER C 51 ? GLY C 122 SER C 129 E 5 GLN C 130 ? ILE C 135 ? GLN C 208 ILE C 213 E 6 THR C 6 ? THR C 19 ? THR C 84 THR C 97 E 7 GLY C 146 ? TYR C 153 ? GLY C 224 TYR C 231 E 8 SER C 30 ? SER C 38 ? SER C 108 SER C 116 E 9 HIS C 94 ? ASN C 101 ? HIS C 172 ASN C 179 E 10 ASN C 104 ? VAL C 109 ? ASN C 182 VAL C 187 E 11 ASN C 115 ? HIS C 117 ? ASN C 193 HIS C 195 F 1 ILE C 79 ? LYS C 82 ? ILE C 157 LYS C 160 F 2 LYS C 67 ? ASN C 73 ? LYS C 145 ASN C 151 F 3 PHE C 58 ? GLU C 64 ? PHE C 136 GLU C 142 F 4 GLY C 44 ? SER C 51 ? GLY C 122 SER C 129 F 5 GLN C 130 ? ILE C 135 ? GLN C 208 ILE C 213 F 6 THR C 6 ? THR C 19 ? THR C 84 THR C 97 F 7 ILE C 169 ? VAL C 178 ? ILE C 247 VAL C 256 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O ILE A 79 ? O ILE A 157 N PHE A 72 ? N PHE A 150 A 2 3 O VAL A 71 ? O VAL A 149 N GLN A 60 ? N GLN A 138 A 3 4 O LEU A 61 ? O LEU A 139 N VAL A 47 ? N VAL A 125 A 4 5 N ARG A 48 ? N ARG A 126 O ALA A 134 ? O ALA A 212 A 5 6 O ILE A 133 ? O ILE A 211 N TYR A 18 ? N TYR A 96 A 6 7 N PHE A 9 ? N PHE A 87 O GLY A 146 ? O GLY A 224 A 7 8 O TYR A 152 ? O TYR A 230 N ALA A 34 ? N ALA A 112 A 8 9 N LEU A 33 ? N LEU A 111 O PHE A 98 ? O PHE A 176 A 9 10 N ARG A 97 ? N ARG A 175 O GLN A 108 ? O GLN A 186 A 10 11 N LEU A 107 ? N LEU A 185 O ASN A 115 ? O ASN A 193 B 1 2 O ILE A 79 ? O ILE A 157 N PHE A 72 ? N PHE A 150 B 2 3 O VAL A 71 ? O VAL A 149 N GLN A 60 ? N GLN A 138 B 3 4 O LEU A 61 ? O LEU A 139 N VAL A 47 ? N VAL A 125 B 4 5 N ARG A 48 ? N ARG A 126 O ALA A 134 ? O ALA A 212 B 5 6 O ILE A 133 ? O ILE A 211 N TYR A 18 ? N TYR A 96 B 6 7 N LEU A 17 ? N LEU A 95 O LYS A 170 ? O LYS A 248 C 1 2 O ILE B 79 ? O ILE B 157 N PHE B 72 ? N PHE B 150 C 2 3 O VAL B 71 ? O VAL B 149 N GLN B 60 ? N GLN B 138 C 3 4 O LEU B 61 ? O LEU B 139 N VAL B 47 ? N VAL B 125 C 4 5 N ARG B 48 ? N ARG B 126 O ALA B 134 ? O ALA B 212 C 5 6 O ILE B 135 ? O ILE B 213 N ILE B 16 ? N ILE B 94 C 6 7 N PHE B 9 ? N PHE B 87 O GLY B 146 ? O GLY B 224 C 7 8 O SER B 149 ? O SER B 227 N GLY B 36 ? N GLY B 114 C 8 9 N LEU B 33 ? N LEU B 111 O PHE B 98 ? O PHE B 176 C 9 10 N ARG B 97 ? N ARG B 175 O GLN B 108 ? O GLN B 186 C 10 11 N LEU B 107 ? N LEU B 185 O ASN B 115 ? O ASN B 193 D 1 2 O ILE B 79 ? O ILE B 157 N PHE B 72 ? N PHE B 150 D 2 3 O VAL B 71 ? O VAL B 149 N GLN B 60 ? N GLN B 138 D 3 4 O LEU B 61 ? O LEU B 139 N VAL B 47 ? N VAL B 125 D 4 5 N ARG B 48 ? N ARG B 126 O ALA B 134 ? O ALA B 212 D 5 6 O ILE B 135 ? O ILE B 213 N ILE B 16 ? N ILE B 94 D 6 7 N LEU B 17 ? N LEU B 95 O LYS B 170 ? O LYS B 248 E 1 2 O ILE C 79 ? O ILE C 157 N PHE C 72 ? N PHE C 150 E 2 3 O VAL C 71 ? O VAL C 149 N GLN C 60 ? N GLN C 138 E 3 4 O LEU C 61 ? O LEU C 139 N VAL C 47 ? N VAL C 125 E 4 5 N ASP C 50 ? N ASP C 128 O ALA C 131 ? O ALA C 209 E 5 6 O ILE C 133 ? O ILE C 211 N TYR C 18 ? N TYR C 96 E 6 7 N PHE C 9 ? N PHE C 87 O GLY C 146 ? O GLY C 224 E 7 8 O SER C 149 ? O SER C 227 N GLY C 36 ? N GLY C 114 E 8 9 N LEU C 33 ? N LEU C 111 O PHE C 98 ? O PHE C 176 E 9 10 N ARG C 97 ? N ARG C 175 O GLN C 108 ? O GLN C 186 E 10 11 N LEU C 107 ? N LEU C 185 O ASN C 115 ? O ASN C 193 F 1 2 O ILE C 79 ? O ILE C 157 N PHE C 72 ? N PHE C 150 F 2 3 O VAL C 71 ? O VAL C 149 N GLN C 60 ? N GLN C 138 F 3 4 O LEU C 61 ? O LEU C 139 N VAL C 47 ? N VAL C 125 F 4 5 N ASP C 50 ? N ASP C 128 O ALA C 131 ? O ALA C 209 F 5 6 O ILE C 133 ? O ILE C 211 N TYR C 18 ? N TYR C 96 F 6 7 N LEU C 17 ? N LEU C 95 O LYS C 170 ? O LYS C 248 # 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 ? ? ? ? 5 'BINDING SITE FOR RESIDUE CA A 1' AC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 301' AC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 302' AC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA A 303' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 257' AC6 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE SO4 A 4' AC7 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG B 301' AC8 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG B 302' AC9 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE BMA B 303' BC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 B 2' BC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 B 3' BC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 B 5' BC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG C 301' BC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG C 302' BC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA C 303' BC7 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE SO4 C 6' BC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 C 7' BC9 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 C 8' # 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 5 ASP A 57 ? ASP A 135 . ? 1_555 ? 2 AC1 5 ILE A 74 ? ILE A 152 . ? 1_555 ? 3 AC1 5 ILE A 126 ? ILE A 204 . ? 1_555 ? 4 AC1 5 ASN A 128 ? ASN A 206 . ? 1_555 ? 5 AC1 5 HOH V . ? HOH A 300 . ? 1_555 ? 6 AC2 6 ASN A 101 ? ASN A 179 . ? 1_555 ? 7 AC2 6 ASN A 104 ? ASN A 182 . ? 1_555 ? 8 AC2 6 TYR A 118 ? TYR A 196 . ? 1_555 ? 9 AC2 6 NAG F . ? NAG A 302 . ? 1_555 ? 10 AC2 6 BMA G . ? BMA A 303 . ? 1_555 ? 11 AC2 6 HOH V . ? HOH A 624 . ? 1_555 ? 12 AC3 2 NAG E . ? NAG A 301 . ? 1_555 ? 13 AC3 2 HOH V . ? HOH A 625 . ? 1_555 ? 14 AC4 2 TYR A 118 ? TYR A 196 . ? 1_555 ? 15 AC4 2 NAG E . ? NAG A 301 . ? 1_555 ? 16 AC5 6 GLY A 10 ? GLY A 88 . ? 1_555 ? 17 AC5 6 LYS A 11 ? LYS A 89 . ? 1_555 ? 18 AC5 6 SER A 12 ? SER A 90 . ? 1_555 ? 19 AC5 6 SER A 174 ? SER A 252 . ? 1_555 ? 20 AC5 6 HOH V . ? HOH A 331 . ? 1_555 ? 21 AC5 6 HOH V . ? HOH A 349 . ? 1_555 ? 22 AC6 7 GLY A 3 ? GLY A 81 . ? 1_555 ? 23 AC6 7 SER A 4 ? SER A 82 . ? 1_555 ? 24 AC6 7 LYS A 157 ? LYS A 235 . ? 1_555 ? 25 AC6 7 ASN A 160 ? ASN A 238 . ? 1_555 ? 26 AC6 7 HOH V . ? HOH A 674 . ? 1_555 ? 27 AC6 7 HOH V . ? HOH A 695 . ? 1_555 ? 28 AC6 7 LYS B 157 ? LYS B 235 . ? 1_555 ? 29 AC7 8 ARG B 29 ? ARG B 107 . ? 1_555 ? 30 AC7 8 ASN B 101 ? ASN B 179 . ? 1_555 ? 31 AC7 8 GLY B 102 ? GLY B 180 . ? 1_555 ? 32 AC7 8 ASN B 104 ? ASN B 182 . ? 1_555 ? 33 AC7 8 TYR B 118 ? TYR B 196 . ? 1_555 ? 34 AC7 8 HOH W . ? HOH B 261 . ? 1_555 ? 35 AC7 8 NAG K . ? NAG B 302 . ? 1_555 ? 36 AC7 8 BMA L . ? BMA B 303 . ? 1_555 ? 37 AC8 7 LYS A 92 ? LYS A 170 . ? 4_455 ? 38 AC8 7 NAG J . ? NAG B 301 . ? 1_555 ? 39 AC8 7 BMA L . ? BMA B 303 . ? 1_555 ? 40 AC8 7 HOH W . ? HOH B 343 . ? 1_555 ? 41 AC8 7 HOH W . ? HOH B 428 . ? 1_555 ? 42 AC8 7 HOH W . ? HOH B 596 . ? 1_555 ? 43 AC8 7 HOH W . ? HOH B 700 . ? 1_555 ? 44 AC9 4 TYR B 118 ? TYR B 196 . ? 1_555 ? 45 AC9 4 NAG J . ? NAG B 301 . ? 1_555 ? 46 AC9 4 NAG K . ? NAG B 302 . ? 1_555 ? 47 AC9 4 LYS C 92 ? LYS C 170 . ? 4_455 ? 48 BC1 5 GLY B 10 ? GLY B 88 . ? 1_555 ? 49 BC1 5 LYS B 11 ? LYS B 89 . ? 1_555 ? 50 BC1 5 SER B 12 ? SER B 90 . ? 1_555 ? 51 BC1 5 SER B 174 ? SER B 252 . ? 1_555 ? 52 BC1 5 HOH W . ? HOH B 340 . ? 1_555 ? 53 BC2 4 THR B 28 ? THR B 106 . ? 1_555 ? 54 BC2 4 ARG B 29 ? ARG B 107 . ? 1_555 ? 55 BC2 4 SER B 30 ? SER B 108 . ? 1_555 ? 56 BC2 4 HOH W . ? HOH B 647 . ? 1_555 ? 57 BC3 6 SER B 4 ? SER B 82 . ? 1_555 ? 58 BC3 6 LYS B 157 ? LYS B 235 . ? 1_555 ? 59 BC3 6 ASN B 160 ? ASN B 238 . ? 1_555 ? 60 BC3 6 HOH W . ? HOH B 429 . ? 1_555 ? 61 BC3 6 HOH W . ? HOH B 563 . ? 1_555 ? 62 BC3 6 LYS C 157 ? LYS C 235 . ? 1_555 ? 63 BC4 4 ASN C 104 ? ASN C 182 . ? 1_555 ? 64 BC4 4 TYR C 118 ? TYR C 196 . ? 1_555 ? 65 BC4 4 NAG Q . ? NAG C 302 . ? 1_555 ? 66 BC4 4 BMA R . ? BMA C 303 . ? 1_555 ? 67 BC5 2 NAG P . ? NAG C 301 . ? 1_555 ? 68 BC5 2 BMA R . ? BMA C 303 . ? 1_555 ? 69 BC6 2 NAG P . ? NAG C 301 . ? 1_555 ? 70 BC6 2 NAG Q . ? NAG C 302 . ? 1_555 ? 71 BC7 7 LYS A 157 ? LYS A 235 . ? 1_555 ? 72 BC7 7 HOH V . ? HOH A 695 . ? 1_555 ? 73 BC7 7 HOH X . ? HOH C 74 . ? 1_555 ? 74 BC7 7 SER C 4 ? SER C 82 . ? 1_555 ? 75 BC7 7 LYS C 157 ? LYS C 235 . ? 1_555 ? 76 BC7 7 ASN C 160 ? ASN C 238 . ? 1_555 ? 77 BC7 7 HOH X . ? HOH C 358 . ? 1_555 ? 78 BC8 5 GLY C 10 ? GLY C 88 . ? 1_555 ? 79 BC8 5 LYS C 11 ? LYS C 89 . ? 1_555 ? 80 BC8 5 SER C 12 ? SER C 90 . ? 1_555 ? 81 BC8 5 SER C 174 ? SER C 252 . ? 1_555 ? 82 BC8 5 HOH X . ? HOH C 607 . ? 1_555 ? 83 BC9 4 THR C 28 ? THR C 106 . ? 1_555 ? 84 BC9 4 ARG C 29 ? ARG C 107 . ? 1_555 ? 85 BC9 4 SER C 30 ? SER C 108 . ? 1_555 ? 86 BC9 4 HOH X . ? HOH C 458 . ? 1_555 ? # _database_PDB_matrix.entry_id 3MW4 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 3MW4 _atom_sites.fract_transf_matrix[1][1] 0.013384 _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] 0.011991 _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] 0.008347 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CA N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLY A 1 1 ? 33.668 3.739 -4.433 1.00 35.57 ? 79 GLY A N 1 ATOM 2 C CA . GLY A 1 1 ? 34.558 4.754 -5.098 1.00 35.37 ? 79 GLY A CA 1 ATOM 3 C C . GLY A 1 1 ? 33.903 6.104 -5.406 1.00 35.44 ? 79 GLY A C 1 ATOM 4 O O . GLY A 1 1 ? 32.964 6.528 -4.718 1.00 35.70 ? 79 GLY A O 1 ATOM 5 N N . PRO A 1 2 ? 34.424 6.813 -6.425 1.00 35.12 ? 80 PRO A N 1 ATOM 6 C CA . PRO A 1 2 ? 33.762 7.995 -6.985 1.00 35.05 ? 80 PRO A CA 1 ATOM 7 C C . PRO A 1 2 ? 32.309 7.715 -7.367 1.00 35.05 ? 80 PRO A C 1 ATOM 8 O O . PRO A 1 2 ? 31.463 8.596 -7.251 1.00 35.48 ? 80 PRO A O 1 ATOM 9 C CB . PRO A 1 2 ? 34.577 8.281 -8.244 1.00 34.24 ? 80 PRO A CB 1 ATOM 10 C CG . PRO A 1 2 ? 35.914 7.755 -7.936 1.00 34.51 ? 80 PRO A CG 1 ATOM 11 C CD . PRO A 1 2 ? 35.706 6.540 -7.097 1.00 34.80 ? 80 PRO A CD 1 ATOM 12 N N . GLY A 1 3 ? 32.036 6.492 -7.802 1.00 34.92 ? 81 GLY A N 1 ATOM 13 C CA . GLY A 1 3 ? 30.706 6.093 -8.230 1.00 35.38 ? 81 GLY A CA 1 ATOM 14 C C . GLY A 1 3 ? 29.708 5.800 -7.122 1.00 35.54 ? 81 GLY A C 1 ATOM 15 O O . GLY A 1 3 ? 28.503 5.790 -7.398 1.00 36.27 ? 81 GLY A O 1 ATOM 16 N N . SER A 1 4 ? 30.196 5.549 -5.894 1.00 34.85 ? 82 SER A N 1 ATOM 17 C CA . SER A 1 4 ? 29.342 5.378 -4.712 1.00 34.31 ? 82 SER A CA 1 ATOM 18 C C . SER A 1 4 ? 28.365 6.532 -4.636 1.00 32.86 ? 82 SER A C 1 ATOM 19 O O . SER A 1 4 ? 28.767 7.696 -4.707 1.00 31.85 ? 82 SER A O 1 ATOM 20 C CB . SER A 1 4 ? 30.158 5.357 -3.420 1.00 34.62 ? 82 SER A CB 1 ATOM 21 O OG . SER A 1 4 ? 30.989 4.213 -3.356 1.00 39.06 ? 82 SER A OG 1 ATOM 22 N N . ALA A 1 5 ? 27.085 6.199 -4.508 1.00 31.75 ? 83 ALA A N 1 ATOM 23 C CA . ALA A 1 5 ? 26.039 7.203 -4.473 1.00 30.45 ? 83 ALA A CA 1 ATOM 24 C C . ALA A 1 5 ? 26.159 8.018 -3.197 1.00 29.73 ? 83 ALA A C 1 ATOM 25 O O . ALA A 1 5 ? 26.336 7.475 -2.111 1.00 29.30 ? 83 ALA A O 1 ATOM 26 C CB . ALA A 1 5 ? 24.674 6.558 -4.569 1.00 30.83 ? 83 ALA A CB 1 ATOM 27 N N . THR A 1 6 ? 26.063 9.330 -3.348 1.00 28.37 ? 84 THR A N 1 ATOM 28 C CA . THR A 1 6 ? 26.283 10.244 -2.246 1.00 27.89 ? 84 THR A CA 1 ATOM 29 C C . THR A 1 6 ? 25.108 11.197 -2.158 1.00 26.97 ? 84 THR A C 1 ATOM 30 O O . THR A 1 6 ? 24.660 11.715 -3.178 1.00 25.75 ? 84 THR A O 1 ATOM 31 C CB . THR A 1 6 ? 27.592 11.025 -2.465 1.00 27.92 ? 84 THR A CB 1 ATOM 32 O OG1 . THR A 1 6 ? 28.676 10.091 -2.541 1.00 30.44 ? 84 THR A OG1 1 ATOM 33 C CG2 . THR A 1 6 ? 27.848 11.979 -1.345 1.00 28.86 ? 84 THR A CG2 1 ATOM 34 N N . TYR A 1 7 ? 24.609 11.419 -0.938 1.00 26.00 ? 85 TYR A N 1 ATOM 35 C CA . TYR A 1 7 ? 23.464 12.304 -0.738 1.00 25.96 ? 85 TYR A CA 1 ATOM 36 C C . TYR A 1 7 ? 23.810 13.391 0.272 1.00 25.86 ? 85 TYR A C 1 ATOM 37 O O . TYR A 1 7 ? 24.493 13.123 1.254 1.00 26.12 ? 85 TYR A O 1 ATOM 38 C CB . TYR A 1 7 ? 22.234 11.504 -0.272 1.00 25.05 ? 85 TYR A CB 1 ATOM 39 C CG . TYR A 1 7 ? 21.501 10.790 -1.400 1.00 25.55 ? 85 TYR A CG 1 ATOM 40 C CD1 . TYR A 1 7 ? 21.928 9.543 -1.865 1.00 24.13 ? 85 TYR A CD1 1 ATOM 41 C CD2 . TYR A 1 7 ? 20.380 11.366 -1.995 1.00 23.86 ? 85 TYR A CD2 1 ATOM 42 C CE1 . TYR A 1 7 ? 21.243 8.878 -2.909 1.00 25.27 ? 85 TYR A CE1 1 ATOM 43 C CE2 . TYR A 1 7 ? 19.692 10.716 -3.031 1.00 25.30 ? 85 TYR A CE2 1 ATOM 44 C CZ . TYR A 1 7 ? 20.128 9.474 -3.483 1.00 24.53 ? 85 TYR A CZ 1 ATOM 45 O OH . TYR A 1 7 ? 19.437 8.848 -4.513 1.00 25.64 ? 85 TYR A OH 1 ATOM 46 N N . ILE A 1 8 ? 23.347 14.611 0.014 1.00 26.09 ? 86 ILE A N 1 ATOM 47 C CA . ILE A 1 8 ? 23.500 15.719 0.958 1.00 26.99 ? 86 ILE A CA 1 ATOM 48 C C . ILE A 1 8 ? 22.170 15.964 1.635 1.00 26.85 ? 86 ILE A C 1 ATOM 49 O O . ILE A 1 8 ? 21.144 16.063 0.956 1.00 26.28 ? 86 ILE A O 1 ATOM 50 C CB . ILE A 1 8 ? 23.919 17.040 0.260 1.00 27.54 ? 86 ILE A CB 1 ATOM 51 C CG1 . ILE A 1 8 ? 25.097 16.809 -0.690 1.00 29.36 ? 86 ILE A CG1 1 ATOM 52 C CG2 . ILE A 1 8 ? 24.221 18.143 1.289 1.00 28.72 ? 86 ILE A CG2 1 ATOM 53 C CD1 . ILE A 1 8 ? 26.286 16.176 -0.047 1.00 30.59 ? 86 ILE A CD1 1 ATOM 54 N N . PHE A 1 9 ? 22.216 16.071 2.962 1.00 26.50 ? 87 PHE A N 1 ATOM 55 C CA . PHE A 1 9 ? 21.068 16.400 3.800 1.00 26.58 ? 87 PHE A CA 1 ATOM 56 C C . PHE A 1 9 ? 21.218 17.827 4.316 1.00 26.52 ? 87 PHE A C 1 ATOM 57 O O . PHE A 1 9 ? 22.251 18.185 4.901 1.00 26.58 ? 87 PHE A O 1 ATOM 58 C CB . PHE A 1 9 ? 20.964 15.422 4.972 1.00 26.49 ? 87 PHE A CB 1 ATOM 59 C CG . PHE A 1 9 ? 20.646 14.013 4.556 1.00 27.54 ? 87 PHE A CG 1 ATOM 60 C CD1 . PHE A 1 9 ? 21.608 13.221 3.918 1.00 27.03 ? 87 PHE A CD1 1 ATOM 61 C CD2 . PHE A 1 9 ? 19.386 13.468 4.813 1.00 27.59 ? 87 PHE A CD2 1 ATOM 62 C CE1 . PHE A 1 9 ? 21.309 11.914 3.522 1.00 27.70 ? 87 PHE A CE1 1 ATOM 63 C CE2 . PHE A 1 9 ? 19.085 12.170 4.422 1.00 28.00 ? 87 PHE A CE2 1 ATOM 64 C CZ . PHE A 1 9 ? 20.047 11.391 3.776 1.00 27.81 ? 87 PHE A CZ 1 ATOM 65 N N . GLY A 1 10 ? 20.191 18.641 4.082 1.00 25.95 ? 88 GLY A N 1 ATOM 66 C CA . GLY A 1 10 ? 20.239 20.056 4.424 1.00 25.73 ? 88 GLY A CA 1 ATOM 67 C C . GLY A 1 10 ? 19.799 20.331 5.847 1.00 25.32 ? 88 GLY A C 1 ATOM 68 O O . GLY A 1 10 ? 19.441 19.414 6.588 1.00 25.30 ? 88 GLY A O 1 ATOM 69 N N . LYS A 1 11 ? 19.822 21.602 6.226 1.00 25.42 ? 89 LYS A N 1 ATOM 70 C CA . LYS A 1 11 ? 19.498 21.990 7.599 1.00 25.68 ? 89 LYS A CA 1 ATOM 71 C C . LYS A 1 11 ? 18.077 21.633 8.028 1.00 25.02 ? 89 LYS A C 1 ATOM 72 O O . LYS A 1 11 ? 17.839 21.423 9.206 1.00 25.10 ? 89 LYS A O 1 ATOM 73 C CB . LYS A 1 11 ? 19.787 23.482 7.836 1.00 25.83 ? 89 LYS A CB 1 ATOM 74 C CG . LYS A 1 11 ? 18.813 24.435 7.182 1.00 27.10 ? 89 LYS A CG 1 ATOM 75 C CD . LYS A 1 11 ? 19.161 25.887 7.490 1.00 27.09 ? 89 LYS A CD 1 ATOM 76 C CE . LYS A 1 11 ? 18.132 26.848 6.891 1.00 29.54 ? 89 LYS A CE 1 ATOM 77 N NZ . LYS A 1 11 ? 18.125 26.810 5.402 1.00 30.37 ? 89 LYS A NZ 1 ATOM 78 N N . SER A 1 12 ? 17.140 21.563 7.082 1.00 24.75 ? 90 SER A N 1 ATOM 79 C CA . SER A 1 12 ? 15.755 21.220 7.406 1.00 24.97 ? 90 SER A CA 1 ATOM 80 C C . SER A 1 12 ? 15.538 19.725 7.588 1.00 25.15 ? 90 SER A C 1 ATOM 81 O O . SER A 1 12 ? 14.492 19.295 8.098 1.00 25.83 ? 90 SER A O 1 ATOM 82 C CB . SER A 1 12 ? 14.791 21.785 6.365 1.00 24.69 ? 90 SER A CB 1 ATOM 83 O OG . SER A 1 12 ? 14.771 23.195 6.453 1.00 24.46 ? 90 SER A OG 1 ATOM 84 N N . GLY A 1 13 ? 16.528 18.942 7.169 1.00 25.01 ? 91 GLY A N 1 ATOM 85 C CA . GLY A 1 13 ? 16.518 17.491 7.351 1.00 25.20 ? 91 GLY A CA 1 ATOM 86 C C . GLY A 1 13 ? 15.735 16.805 6.249 1.00 25.68 ? 91 GLY A C 1 ATOM 87 O O . GLY A 1 13 ? 14.876 17.419 5.588 1.00 25.55 ? 91 GLY A O 1 ATOM 88 N N . GLY A 1 14 ? 16.033 15.529 6.050 1.00 25.78 ? 92 GLY A N 1 ATOM 89 C CA . GLY A 1 14 ? 15.328 14.719 5.072 1.00 26.07 ? 92 GLY A CA 1 ATOM 90 C C . GLY A 1 14 ? 15.427 13.262 5.445 1.00 26.53 ? 92 GLY A C 1 ATOM 91 O O . GLY A 1 14 ? 16.046 12.902 6.446 1.00 26.25 ? 92 GLY A O 1 ATOM 92 N N . LEU A 1 15 ? 14.825 12.417 4.623 1.00 26.95 ? 93 LEU A N 1 ATOM 93 C CA . LEU A 1 15 ? 14.828 10.995 4.890 1.00 27.21 ? 93 LEU A CA 1 ATOM 94 C C . LEU A 1 15 ? 14.860 10.210 3.593 1.00 26.75 ? 93 LEU A C 1 ATOM 95 O O . LEU A 1 15 ? 14.161 10.551 2.631 1.00 26.37 ? 93 LEU A O 1 ATOM 96 C CB . LEU A 1 15 ? 13.580 10.599 5.696 1.00 27.70 ? 93 LEU A CB 1 ATOM 97 C CG . LEU A 1 15 ? 13.656 9.271 6.464 1.00 29.14 ? 93 LEU A CG 1 ATOM 98 C CD1 . LEU A 1 15 ? 14.554 9.425 7.705 1.00 31.44 ? 93 LEU A CD1 1 ATOM 99 C CD2 . LEU A 1 15 ? 12.267 8.804 6.854 1.00 31.75 ? 93 LEU A CD2 1 ATOM 100 N N . ILE A 1 16 ? 15.722 9.200 3.573 1.00 26.13 ? 94 ILE A N 1 ATOM 101 C CA . ILE A 1 16 ? 15.682 8.165 2.553 0.50 26.05 ? 94 ILE A CA 1 ATOM 102 C C . ILE A 1 16 ? 15.227 6.887 3.251 1.00 26.14 ? 94 ILE A C 1 ATOM 103 O O . ILE A 1 16 ? 15.830 6.457 4.239 1.00 25.90 ? 94 ILE A O 1 ATOM 104 C CB A ILE A 1 16 ? 17.049 7.962 1.864 0.50 25.91 ? 94 ILE A CB 1 ATOM 105 C CB B ILE A 1 16 ? 17.049 7.963 1.864 0.50 25.91 ? 94 ILE A CB 1 ATOM 106 C CG1 A ILE A 1 16 ? 17.509 9.261 1.187 0.50 25.78 ? 94 ILE A CG1 1 ATOM 107 C CG1 B ILE A 1 16 ? 17.511 9.262 1.190 0.50 25.78 ? 94 ILE A CG1 1 ATOM 108 C CG2 A ILE A 1 16 ? 16.981 6.809 0.851 0.50 25.69 ? 94 ILE A CG2 1 ATOM 109 C CG2 B ILE A 1 16 ? 16.980 6.812 0.848 0.50 25.69 ? 94 ILE A CG2 1 ATOM 110 C CD1 A ILE A 1 16 ? 18.966 9.245 0.726 0.50 26.30 ? 94 ILE A CD1 1 ATOM 111 C CD1 B ILE A 1 16 ? 18.968 9.246 0.730 0.50 26.30 ? 94 ILE A CD1 1 ATOM 112 N N . LEU A 1 17 ? 14.157 6.292 2.742 1.00 26.27 ? 95 LEU A N 1 ATOM 113 C CA . LEU A 1 17 ? 13.536 5.173 3.422 1.00 26.75 ? 95 LEU A CA 1 ATOM 114 C C . LEU A 1 17 ? 13.436 3.949 2.530 1.00 26.89 ? 95 LEU A C 1 ATOM 115 O O . LEU A 1 17 ? 12.714 3.948 1.525 1.00 27.34 ? 95 LEU A O 1 ATOM 116 C CB . LEU A 1 17 ? 12.151 5.579 3.962 1.00 26.63 ? 95 LEU A CB 1 ATOM 117 C CG . LEU A 1 17 ? 11.404 4.496 4.744 1.00 27.37 ? 95 LEU A CG 1 ATOM 118 C CD1 . LEU A 1 17 ? 11.994 4.327 6.147 1.00 25.66 ? 95 LEU A CD1 1 ATOM 119 C CD2 . LEU A 1 17 ? 9.902 4.784 4.801 1.00 27.07 ? 95 LEU A CD2 1 ATOM 120 N N . TYR A 1 18 ? 14.181 2.913 2.899 1.00 26.81 ? 96 TYR A N 1 ATOM 121 C CA . TYR A 1 18 ? 14.065 1.626 2.248 1.00 27.09 ? 96 TYR A CA 1 ATOM 122 C C . TYR A 1 18 ? 13.109 0.738 3.050 1.00 27.05 ? 96 TYR A C 1 ATOM 123 O O . TYR A 1 18 ? 13.353 0.476 4.230 1.00 26.97 ? 96 TYR A O 1 ATOM 124 C CB . TYR A 1 18 ? 15.432 0.941 2.113 1.00 27.27 ? 96 TYR A CB 1 ATOM 125 C CG . TYR A 1 18 ? 15.315 -0.414 1.445 1.00 28.38 ? 96 TYR A CG 1 ATOM 126 C CD1 . TYR A 1 18 ? 15.117 -0.515 0.070 1.00 28.92 ? 96 TYR A CD1 1 ATOM 127 C CD2 . TYR A 1 18 ? 15.362 -1.589 2.193 1.00 29.00 ? 96 TYR A CD2 1 ATOM 128 C CE1 . TYR A 1 18 ? 14.976 -1.757 -0.548 1.00 29.60 ? 96 TYR A CE1 1 ATOM 129 C CE2 . TYR A 1 18 ? 15.226 -2.836 1.585 1.00 29.43 ? 96 TYR A CE2 1 ATOM 130 C CZ . TYR A 1 18 ? 15.034 -2.906 0.214 1.00 29.03 ? 96 TYR A CZ 1 ATOM 131 O OH . TYR A 1 18 ? 14.890 -4.128 -0.397 1.00 29.67 ? 96 TYR A OH 1 ATOM 132 N N . THR A 1 19 ? 12.036 0.284 2.396 1.00 27.00 ? 97 THR A N 1 ATOM 133 C CA . THR A 1 19 ? 11.067 -0.631 2.989 1.00 26.96 ? 97 THR A CA 1 ATOM 134 C C . THR A 1 19 ? 11.151 -1.978 2.262 1.00 26.91 ? 97 THR A C 1 ATOM 135 O O . THR A 1 19 ? 10.860 -2.063 1.064 1.00 25.94 ? 97 THR A O 1 ATOM 136 C CB . THR A 1 19 ? 9.634 -0.050 2.919 1.00 27.16 ? 97 THR A CB 1 ATOM 137 O OG1 . THR A 1 19 ? 9.618 1.230 3.565 1.00 28.41 ? 97 THR A OG1 1 ATOM 138 C CG2 . THR A 1 19 ? 8.623 -0.963 3.623 1.00 27.22 ? 97 THR A CG2 1 ATOM 139 N N . TRP A 1 20 ? 11.587 -3.013 2.983 1.00 26.76 ? 98 TRP A N 1 ATOM 140 C CA . TRP A 1 20 ? 11.645 -4.367 2.435 1.00 26.93 ? 98 TRP A CA 1 ATOM 141 C C . TRP A 1 20 ? 10.262 -4.822 1.993 1.00 27.71 ? 98 TRP A C 1 ATOM 142 O O . TRP A 1 20 ? 9.282 -4.627 2.722 1.00 28.06 ? 98 TRP A O 1 ATOM 143 C CB . TRP A 1 20 ? 12.153 -5.364 3.481 1.00 26.26 ? 98 TRP A CB 1 ATOM 144 C CG . TRP A 1 20 ? 13.628 -5.486 3.603 1.00 26.10 ? 98 TRP A CG 1 ATOM 145 C CD1 . TRP A 1 20 ? 14.460 -6.219 2.800 1.00 25.62 ? 98 TRP A CD1 1 ATOM 146 C CD2 . TRP A 1 20 ? 14.462 -4.879 4.599 1.00 24.56 ? 98 TRP A CD2 1 ATOM 147 N NE1 . TRP A 1 20 ? 15.760 -6.099 3.228 1.00 24.59 ? 98 TRP A NE1 1 ATOM 148 C CE2 . TRP A 1 20 ? 15.792 -5.287 4.334 1.00 25.49 ? 98 TRP A CE2 1 ATOM 149 C CE3 . TRP A 1 20 ? 14.218 -4.025 5.688 1.00 25.63 ? 98 TRP A CE3 1 ATOM 150 C CZ2 . TRP A 1 20 ? 16.873 -4.876 5.123 1.00 25.41 ? 98 TRP A CZ2 1 ATOM 151 C CZ3 . TRP A 1 20 ? 15.280 -3.626 6.477 1.00 24.21 ? 98 TRP A CZ3 1 ATOM 152 C CH2 . TRP A 1 20 ? 16.598 -4.048 6.192 1.00 26.27 ? 98 TRP A CH2 1 ATOM 153 N N . PRO A 1 21 ? 10.167 -5.435 0.796 1.00 28.42 ? 99 PRO A N 1 ATOM 154 C CA . PRO A 1 21 ? 8.938 -6.143 0.464 1.00 28.84 ? 99 PRO A CA 1 ATOM 155 C C . PRO A 1 21 ? 8.643 -7.165 1.568 1.00 29.48 ? 99 PRO A C 1 ATOM 156 O O . PRO A 1 21 ? 9.583 -7.755 2.116 1.00 29.97 ? 99 PRO A O 1 ATOM 157 C CB . PRO A 1 21 ? 9.291 -6.847 -0.850 1.00 29.02 ? 99 PRO A CB 1 ATOM 158 C CG . PRO A 1 21 ? 10.352 -5.970 -1.465 1.00 28.31 ? 99 PRO A CG 1 ATOM 159 C CD . PRO A 1 21 ? 11.157 -5.491 -0.296 1.00 28.21 ? 99 PRO A CD 1 ATOM 160 N N . ALA A 1 22 ? 7.364 -7.360 1.896 1.00 29.56 ? 100 ALA A N 1 ATOM 161 C CA . ALA A 1 22 ? 6.951 -8.157 3.063 1.00 29.74 ? 100 ALA A CA 1 ATOM 162 C C . ALA A 1 22 ? 7.680 -9.497 3.228 1.00 29.90 ? 100 ALA A C 1 ATOM 163 O O . ALA A 1 22 ? 8.166 -9.818 4.323 1.00 30.00 ? 100 ALA A O 1 ATOM 164 C CB . ALA A 1 22 ? 5.432 -8.377 3.051 1.00 30.05 ? 100 ALA A CB 1 ATOM 165 N N . ASN A 1 23 ? 7.757 -10.267 2.142 1.00 29.82 ? 101 ASN A N 1 ATOM 166 C CA A ASN A 1 23 ? 8.366 -11.592 2.205 0.47 29.87 ? 101 ASN A CA 1 ATOM 167 C CA B ASN A 1 23 ? 8.369 -11.598 2.154 0.53 29.83 ? 101 ASN A CA 1 ATOM 168 C C . ASN A 1 23 ? 9.902 -11.568 2.203 1.00 29.76 ? 101 ASN A C 1 ATOM 169 O O . ASN A 1 23 ? 10.544 -12.576 2.515 1.00 30.13 ? 101 ASN A O 1 ATOM 170 C CB A ASN A 1 23 ? 7.792 -12.508 1.115 0.47 29.91 ? 101 ASN A CB 1 ATOM 171 C CB B ASN A 1 23 ? 7.889 -12.414 0.947 0.53 29.79 ? 101 ASN A CB 1 ATOM 172 C CG A ASN A 1 23 ? 6.338 -12.915 1.385 0.47 30.18 ? 101 ASN A CG 1 ATOM 173 C CG B ASN A 1 23 ? 7.952 -13.915 1.188 0.53 30.03 ? 101 ASN A CG 1 ATOM 174 O OD1 A ASN A 1 23 ? 5.619 -13.315 0.471 0.47 31.28 ? 101 ASN A OD1 1 ATOM 175 O OD1 B ASN A 1 23 ? 7.342 -14.433 2.127 0.53 29.82 ? 101 ASN A OD1 1 ATOM 176 N ND2 A ASN A 1 23 ? 5.907 -12.818 2.642 0.47 30.26 ? 101 ASN A ND2 1 ATOM 177 N ND2 B ASN A 1 23 ? 8.682 -14.623 0.331 0.53 29.90 ? 101 ASN A ND2 1 ATOM 178 N N . ASP A 1 24 ? 10.485 -10.407 1.897 1.00 29.36 ? 102 ASP A N 1 ATOM 179 C CA . ASP A 1 24 ? 11.947 -10.230 1.890 1.00 28.76 ? 102 ASP A CA 1 ATOM 180 C C . ASP A 1 24 ? 12.529 -9.741 3.224 1.00 28.10 ? 102 ASP A C 1 ATOM 181 O O . ASP A 1 24 ? 13.750 -9.669 3.379 1.00 27.88 ? 102 ASP A O 1 ATOM 182 C CB . ASP A 1 24 ? 12.371 -9.287 0.750 1.00 28.63 ? 102 ASP A CB 1 ATOM 183 C CG . ASP A 1 24 ? 12.053 -9.848 -0.632 1.00 30.49 ? 102 ASP A CG 1 ATOM 184 O OD1 . ASP A 1 24 ? 11.931 -11.085 -0.777 1.00 31.03 ? 102 ASP A OD1 1 ATOM 185 O OD2 . ASP A 1 24 ? 11.929 -9.046 -1.583 1.00 32.23 ? 102 ASP A OD2 1 ATOM 186 N N . ARG A 1 25 ? 11.663 -9.402 4.181 1.00 27.65 ? 103 ARG A N 1 ATOM 187 C CA . ARG A 1 25 ? 12.110 -8.878 5.484 1.00 27.07 ? 103 ARG A CA 1 ATOM 188 C C . ARG A 1 25 ? 13.066 -9.863 6.158 1.00 26.48 ? 103 ARG A C 1 ATOM 189 O O . ARG A 1 25 ? 12.675 -11.005 6.438 1.00 25.84 ? 103 ARG A O 1 ATOM 190 C CB . ARG A 1 25 ? 10.916 -8.636 6.407 1.00 27.15 ? 103 ARG A CB 1 ATOM 191 C CG . ARG A 1 25 ? 10.027 -7.474 6.012 1.00 27.24 ? 103 ARG A CG 1 ATOM 192 C CD . ARG A 1 25 ? 8.812 -7.492 6.895 1.00 29.46 ? 103 ARG A CD 1 ATOM 193 N NE . ARG A 1 25 ? 8.101 -6.219 6.934 1.00 31.75 ? 103 ARG A NE 1 ATOM 194 C CZ . ARG A 1 25 ? 6.918 -6.052 7.527 1.00 33.80 ? 103 ARG A CZ 1 ATOM 195 N NH1 . ARG A 1 25 ? 6.310 -7.090 8.107 1.00 32.39 ? 103 ARG A NH1 1 ATOM 196 N NH2 . ARG A 1 25 ? 6.333 -4.856 7.524 1.00 33.68 ? 103 ARG A NH2 1 ATOM 197 N N . PRO A 1 26 ? 14.325 -9.435 6.398 1.00 25.95 ? 104 PRO A N 1 ATOM 198 C CA . PRO A 1 26 ? 15.327 -10.377 6.896 1.00 25.85 ? 104 PRO A CA 1 ATOM 199 C C . PRO A 1 26 ? 15.364 -10.564 8.409 1.00 25.56 ? 104 PRO A C 1 ATOM 200 O O . PRO A 1 26 ? 14.902 -9.704 9.170 1.00 25.14 ? 104 PRO A O 1 ATOM 201 C CB . PRO A 1 26 ? 16.653 -9.774 6.401 1.00 25.59 ? 104 PRO A CB 1 ATOM 202 C CG . PRO A 1 26 ? 16.392 -8.332 6.225 1.00 25.35 ? 104 PRO A CG 1 ATOM 203 C CD . PRO A 1 26 ? 14.904 -8.099 6.177 1.00 25.67 ? 104 PRO A CD 1 ATOM 204 N N . SER A 1 27 ? 15.902 -11.710 8.823 1.00 25.53 ? 105 SER A N 1 ATOM 205 C CA . SER A 1 27 ? 16.233 -11.958 10.214 1.00 25.18 ? 105 SER A CA 1 ATOM 206 C C . SER A 1 27 ? 17.679 -12.409 10.239 1.00 25.34 ? 105 SER A C 1 ATOM 207 O O . SER A 1 27 ? 18.060 -13.312 9.482 1.00 25.05 ? 105 SER A O 1 ATOM 208 C CB . SER A 1 27 ? 15.324 -13.040 10.818 1.00 25.05 ? 105 SER A CB 1 ATOM 209 O OG . SER A 1 27 ? 13.995 -12.564 10.926 1.00 24.48 ? 105 SER A OG 1 ATOM 210 N N . THR A 1 28 ? 18.488 -11.772 11.087 1.00 25.10 ? 106 THR A N 1 ATOM 211 C CA . THR A 1 28 ? 19.926 -12.015 11.096 1.00 24.96 ? 106 THR A CA 1 ATOM 212 C C . THR A 1 28 ? 20.508 -12.260 12.487 1.00 25.35 ? 106 THR A C 1 ATOM 213 O O . THR A 1 28 ? 20.070 -11.657 13.469 1.00 24.68 ? 106 THR A O 1 ATOM 214 C CB . THR A 1 28 ? 20.695 -10.830 10.480 1.00 25.26 ? 106 THR A CB 1 ATOM 215 O OG1 . THR A 1 28 ? 20.361 -9.627 11.183 1.00 25.27 ? 106 THR A OG1 1 ATOM 216 C CG2 . THR A 1 28 ? 20.358 -10.671 8.992 1.00 24.45 ? 106 THR A CG2 1 ATOM 217 N N . ARG A 1 29 ? 21.519 -13.127 12.536 1.00 25.59 ? 107 ARG A N 1 ATOM 218 C CA . ARG A 1 29 ? 22.335 -13.344 13.738 1.00 26.33 ? 107 ARG A CA 1 ATOM 219 C C . ARG A 1 29 ? 23.530 -12.410 13.765 1.00 26.95 ? 107 ARG A C 1 ATOM 220 O O . ARG A 1 29 ? 24.163 -12.245 14.800 1.00 27.35 ? 107 ARG A O 1 ATOM 221 C CB . ARG A 1 29 ? 22.860 -14.772 13.793 1.00 25.79 ? 107 ARG A CB 1 ATOM 222 C CG . ARG A 1 29 ? 21.788 -15.829 13.964 1.00 26.50 ? 107 ARG A CG 1 ATOM 223 C CD . ARG A 1 29 ? 22.438 -17.169 14.194 1.00 27.20 ? 107 ARG A CD 1 ATOM 224 N NE . ARG A 1 29 ? 21.433 -18.193 14.453 1.00 30.02 ? 107 ARG A NE 1 ATOM 225 C CZ . ARG A 1 29 ? 20.895 -18.958 13.512 1.00 30.08 ? 107 ARG A CZ 1 ATOM 226 N NH1 . ARG A 1 29 ? 21.271 -18.822 12.240 1.00 29.91 ? 107 ARG A NH1 1 ATOM 227 N NH2 . ARG A 1 29 ? 19.987 -19.862 13.845 1.00 31.63 ? 107 ARG A NH2 1 ATOM 228 N N . SER A 1 30 ? 23.876 -11.854 12.608 1.00 28.14 ? 108 SER A N 1 ATOM 229 C CA . SER A 1 30 ? 24.966 -10.896 12.515 1.00 29.04 ? 108 SER A CA 1 ATOM 230 C C . SER A 1 30 ? 24.681 -9.866 11.438 1.00 29.35 ? 108 SER A C 1 ATOM 231 O O . SER A 1 30 ? 23.942 -10.125 10.484 1.00 29.69 ? 108 SER A O 1 ATOM 232 C CB . SER A 1 30 ? 26.301 -11.601 12.247 1.00 29.08 ? 108 SER A CB 1 ATOM 233 O OG . SER A 1 30 ? 26.337 -12.123 10.942 1.00 31.60 ? 108 SER A OG 1 ATOM 234 N N . ASP A 1 31 ? 25.257 -8.684 11.620 1.00 28.99 ? 109 ASP A N 1 ATOM 235 C CA . ASP A 1 31 ? 25.068 -7.578 10.706 1.00 29.21 ? 109 ASP A CA 1 ATOM 236 C C . ASP A 1 31 ? 26.393 -6.882 10.435 1.00 28.93 ? 109 ASP A C 1 ATOM 237 O O . ASP A 1 31 ? 27.344 -6.979 11.227 1.00 29.04 ? 109 ASP A O 1 ATOM 238 C CB . ASP A 1 31 ? 24.068 -6.571 11.291 1.00 28.95 ? 109 ASP A CB 1 ATOM 239 C CG . ASP A 1 31 ? 22.678 -7.159 11.481 1.00 29.44 ? 109 ASP A CG 1 ATOM 240 O OD1 . ASP A 1 31 ? 22.082 -7.656 10.502 1.00 30.70 ? 109 ASP A OD1 1 ATOM 241 O OD2 . ASP A 1 31 ? 22.169 -7.112 12.602 1.00 29.81 ? 109 ASP A OD2 1 ATOM 242 N N . ARG A 1 32 ? 26.445 -6.211 9.292 1.00 28.56 ? 110 ARG A N 1 ATOM 243 C CA A ARG A 1 32 ? 27.563 -5.348 8.956 0.64 28.30 ? 110 ARG A CA 1 ATOM 244 C CA B ARG A 1 32 ? 27.571 -5.365 8.896 0.36 28.52 ? 110 ARG A CA 1 ATOM 245 C C . ARG A 1 32 ? 26.999 -4.055 8.368 1.00 28.42 ? 110 ARG A C 1 ATOM 246 O O . ARG A 1 32 ? 26.193 -4.074 7.424 1.00 28.05 ? 110 ARG A O 1 ATOM 247 C CB A ARG A 1 32 ? 28.525 -6.050 7.984 0.64 28.29 ? 110 ARG A CB 1 ATOM 248 C CB B ARG A 1 32 ? 28.388 -6.027 7.778 0.36 28.66 ? 110 ARG A CB 1 ATOM 249 C CG A ARG A 1 32 ? 29.746 -5.210 7.611 0.64 28.64 ? 110 ARG A CG 1 ATOM 250 C CG B ARG A 1 32 ? 29.032 -7.348 8.129 0.36 29.28 ? 110 ARG A CG 1 ATOM 251 C CD A ARG A 1 32 ? 30.959 -6.071 7.279 0.64 28.48 ? 110 ARG A CD 1 ATOM 252 C CD B ARG A 1 32 ? 30.130 -7.709 7.140 0.36 31.77 ? 110 ARG A CD 1 ATOM 253 N NE A ARG A 1 32 ? 30.757 -6.915 6.099 0.64 26.88 ? 110 ARG A NE 1 ATOM 254 N NE B ARG A 1 32 ? 29.630 -8.311 5.906 0.36 32.88 ? 110 ARG A NE 1 ATOM 255 C CZ A ARG A 1 32 ? 31.062 -6.564 4.854 0.64 28.39 ? 110 ARG A CZ 1 ATOM 256 C CZ B ARG A 1 32 ? 29.508 -9.619 5.699 0.36 33.82 ? 110 ARG A CZ 1 ATOM 257 N NH1 A ARG A 1 32 ? 31.568 -5.363 4.592 0.64 29.99 ? 110 ARG A NH1 1 ATOM 258 N NH1 B ARG A 1 32 ? 29.837 -10.484 6.650 0.36 35.25 ? 110 ARG A NH1 1 ATOM 259 N NH2 A ARG A 1 32 ? 30.844 -7.415 3.865 0.64 28.54 ? 110 ARG A NH2 1 ATOM 260 N NH2 B ARG A 1 32 ? 29.049 -10.067 4.536 0.36 34.29 ? 110 ARG A NH2 1 ATOM 261 N N . LEU A 1 33 ? 27.399 -2.935 8.964 1.00 28.25 ? 111 LEU A N 1 ATOM 262 C CA . LEU A 1 33 ? 26.942 -1.612 8.558 1.00 28.35 ? 111 LEU A CA 1 ATOM 263 C C . LEU A 1 33 ? 28.151 -0.705 8.339 1.00 28.48 ? 111 LEU A C 1 ATOM 264 O O . LEU A 1 33 ? 29.039 -0.631 9.197 1.00 29.33 ? 111 LEU A O 1 ATOM 265 C CB . LEU A 1 33 ? 25.977 -1.020 9.609 1.00 28.51 ? 111 LEU A CB 1 ATOM 266 C CG . LEU A 1 33 ? 25.503 0.450 9.496 1.00 28.19 ? 111 LEU A CG 1 ATOM 267 C CD1 . LEU A 1 33 ? 24.604 0.703 8.280 1.00 28.71 ? 111 LEU A CD1 1 ATOM 268 C CD2 . LEU A 1 33 ? 24.798 0.913 10.749 1.00 28.79 ? 111 LEU A CD2 1 ATOM 269 N N . ALA A 1 34 ? 28.205 -0.031 7.191 1.00 28.24 ? 112 ALA A N 1 ATOM 270 C CA . ALA A 1 34 ? 29.238 0.990 6.963 1.00 27.96 ? 112 ALA A CA 1 ATOM 271 C C . ALA A 1 34 ? 28.725 2.194 6.173 1.00 27.88 ? 112 ALA A C 1 ATOM 272 O O . ALA A 1 34 ? 27.849 2.062 5.309 1.00 27.33 ? 112 ALA A O 1 ATOM 273 C CB . ALA A 1 34 ? 30.456 0.383 6.280 1.00 27.84 ? 112 ALA A CB 1 ATOM 274 N N . VAL A 1 35 ? 29.270 3.370 6.474 1.00 27.49 ? 113 VAL A N 1 ATOM 275 C CA . VAL A 1 35 ? 28.938 4.567 5.706 1.00 27.31 ? 113 VAL A CA 1 ATOM 276 C C . VAL A 1 35 ? 30.056 5.597 5.814 1.00 27.00 ? 113 VAL A C 1 ATOM 277 O O . VAL A 1 35 ? 30.724 5.698 6.860 1.00 26.54 ? 113 VAL A O 1 ATOM 278 C CB . VAL A 1 35 ? 27.561 5.169 6.148 1.00 27.19 ? 113 VAL A CB 1 ATOM 279 C CG1 . VAL A 1 35 ? 27.650 5.800 7.533 1.00 28.12 ? 113 VAL A CG1 1 ATOM 280 C CG2 . VAL A 1 35 ? 27.016 6.180 5.120 1.00 27.98 ? 113 VAL A CG2 1 ATOM 281 N N . GLY A 1 36 ? 30.258 6.330 4.719 1.00 26.67 ? 114 GLY A N 1 ATOM 282 C CA . GLY A 1 36 ? 31.104 7.517 4.679 1.00 26.37 ? 114 GLY A CA 1 ATOM 283 C C . GLY A 1 36 ? 30.231 8.726 4.980 1.00 26.58 ? 114 GLY A C 1 ATOM 284 O O . GLY A 1 36 ? 29.079 8.798 4.552 1.00 26.26 ? 114 GLY A O 1 ATOM 285 N N . PHE A 1 37 ? 30.766 9.676 5.733 1.00 26.48 ? 115 PHE A N 1 ATOM 286 C CA . PHE A 1 37 ? 29.999 10.849 6.135 1.00 26.38 ? 115 PHE A CA 1 ATOM 287 C C . PHE A 1 37 ? 30.910 12.045 6.372 1.00 26.55 ? 115 PHE A C 1 ATOM 288 O O . PHE A 1 37 ? 32.113 11.906 6.621 1.00 26.36 ? 115 PHE A O 1 ATOM 289 C CB . PHE A 1 37 ? 29.149 10.542 7.392 1.00 26.71 ? 115 PHE A CB 1 ATOM 290 C CG . PHE A 1 37 ? 29.971 10.302 8.625 1.00 27.31 ? 115 PHE A CG 1 ATOM 291 C CD1 . PHE A 1 37 ? 30.253 11.353 9.503 1.00 26.76 ? 115 PHE A CD1 1 ATOM 292 C CD2 . PHE A 1 37 ? 30.502 9.034 8.895 1.00 27.13 ? 115 PHE A CD2 1 ATOM 293 C CE1 . PHE A 1 37 ? 31.037 11.138 10.631 1.00 26.16 ? 115 PHE A CE1 1 ATOM 294 C CE2 . PHE A 1 37 ? 31.292 8.821 10.020 1.00 27.24 ? 115 PHE A CE2 1 ATOM 295 C CZ . PHE A 1 37 ? 31.555 9.871 10.888 1.00 27.09 ? 115 PHE A CZ 1 ATOM 296 N N . SER A 1 38 ? 30.320 13.221 6.240 1.00 26.49 ? 116 SER A N 1 ATOM 297 C CA A SER A 1 38 ? 30.953 14.465 6.655 0.25 26.86 ? 116 SER A CA 1 ATOM 298 C CA B SER A 1 38 ? 30.955 14.473 6.626 0.75 26.84 ? 116 SER A CA 1 ATOM 299 C C . SER A 1 38 ? 29.864 15.335 7.254 1.00 26.97 ? 116 SER A C 1 ATOM 300 O O . SER A 1 38 ? 28.776 15.479 6.679 1.00 27.21 ? 116 SER A O 1 ATOM 301 C CB A SER A 1 38 ? 31.653 15.172 5.489 0.25 26.79 ? 116 SER A CB 1 ATOM 302 C CB B SER A 1 38 ? 31.576 15.158 5.401 0.75 26.75 ? 116 SER A CB 1 ATOM 303 O OG A SER A 1 38 ? 30.720 15.639 4.532 0.25 27.14 ? 116 SER A OG 1 ATOM 304 O OG B SER A 1 38 ? 32.165 16.391 5.734 0.75 26.79 ? 116 SER A OG 1 ATOM 305 N N . THR A 1 39 ? 30.151 15.887 8.431 1.00 27.00 ? 117 THR A N 1 ATOM 306 C CA . THR A 1 39 ? 29.163 16.639 9.192 1.00 26.74 ? 117 THR A CA 1 ATOM 307 C C . THR A 1 39 ? 29.811 17.490 10.267 1.00 27.20 ? 117 THR A C 1 ATOM 308 O O . THR A 1 39 ? 30.925 17.205 10.704 1.00 27.04 ? 117 THR A O 1 ATOM 309 C CB . THR A 1 39 ? 28.149 15.675 9.864 1.00 26.77 ? 117 THR A CB 1 ATOM 310 O OG1 . THR A 1 39 ? 27.036 16.412 10.365 1.00 26.46 ? 117 THR A OG1 1 ATOM 311 C CG2 . THR A 1 39 ? 28.800 14.856 10.988 1.00 25.51 ? 117 THR A CG2 1 ATOM 312 N N . THR A 1 40 ? 29.096 18.529 10.689 1.00 27.62 ? 118 THR A N 1 ATOM 313 C CA . THR A 1 40 ? 29.478 19.319 11.854 1.00 28.47 ? 118 THR A CA 1 ATOM 314 C C . THR A 1 40 ? 28.410 19.263 12.964 1.00 28.94 ? 118 THR A C 1 ATOM 315 O O . THR A 1 40 ? 28.577 19.905 14.008 1.00 29.37 ? 118 THR A O 1 ATOM 316 C CB . THR A 1 40 ? 29.784 20.798 11.490 1.00 28.34 ? 118 THR A CB 1 ATOM 317 O OG1 . THR A 1 40 ? 28.643 21.377 10.853 1.00 28.63 ? 118 THR A OG1 1 ATOM 318 C CG2 . THR A 1 40 ? 30.990 20.909 10.564 1.00 28.11 ? 118 THR A CG2 1 ATOM 319 N N . VAL A 1 41 ? 27.348 18.473 12.757 1.00 29.69 ? 119 VAL A N 1 ATOM 320 C CA . VAL A 1 41 ? 26.253 18.360 13.738 1.00 30.03 ? 119 VAL A CA 1 ATOM 321 C C . VAL A 1 41 ? 26.744 17.778 15.053 1.00 29.82 ? 119 VAL A C 1 ATOM 322 O O . VAL A 1 41 ? 27.517 16.824 15.060 1.00 30.02 ? 119 VAL A O 1 ATOM 323 C CB . VAL A 1 41 ? 24.998 17.527 13.242 1.00 30.05 ? 119 VAL A CB 1 ATOM 324 C CG1 . VAL A 1 41 ? 24.473 18.059 11.930 1.00 30.41 ? 119 VAL A CG1 1 ATOM 325 C CG2 . VAL A 1 41 ? 25.276 15.991 13.155 1.00 30.75 ? 119 VAL A CG2 1 ATOM 326 N N . LYS A 1 42 ? 26.269 18.340 16.159 1.00 29.18 ? 120 LYS A N 1 ATOM 327 C CA . LYS A 1 42 ? 26.559 17.783 17.475 1.00 29.70 ? 120 LYS A CA 1 ATOM 328 C C . LYS A 1 42 ? 25.712 16.536 17.736 1.00 29.16 ? 120 LYS A C 1 ATOM 329 O O . LYS A 1 42 ? 26.094 15.671 18.527 1.00 28.90 ? 120 LYS A O 1 ATOM 330 C CB . LYS A 1 42 ? 26.317 18.824 18.575 1.00 29.83 ? 120 LYS A CB 1 ATOM 331 C CG . LYS A 1 42 ? 27.308 19.972 18.571 1.00 32.67 ? 120 LYS A CG 1 ATOM 332 C CD . LYS A 1 42 ? 26.876 21.081 19.526 1.00 35.98 ? 120 LYS A CD 1 ATOM 333 C CE . LYS A 1 42 ? 27.787 22.310 19.429 1.00 39.16 ? 120 LYS A CE 1 ATOM 334 N NZ . LYS A 1 42 ? 27.990 22.791 18.020 1.00 40.66 ? 120 LYS A NZ 1 ATOM 335 N N . ASP A 1 43 ? 24.566 16.456 17.062 1.00 28.94 ? 121 ASP A N 1 ATOM 336 C CA . ASP A 1 43 ? 23.590 15.403 17.295 1.00 28.96 ? 121 ASP A CA 1 ATOM 337 C C . ASP A 1 43 ? 22.822 15.075 16.017 1.00 28.73 ? 121 ASP A C 1 ATOM 338 O O . ASP A 1 43 ? 22.405 15.968 15.277 1.00 28.55 ? 121 ASP A O 1 ATOM 339 C CB . ASP A 1 43 ? 22.627 15.808 18.426 1.00 29.32 ? 121 ASP A CB 1 ATOM 340 C CG . ASP A 1 43 ? 21.750 14.649 18.895 1.00 30.89 ? 121 ASP A CG 1 ATOM 341 O OD1 . ASP A 1 43 ? 20.688 14.385 18.273 1.00 32.53 ? 121 ASP A OD1 1 ATOM 342 O OD2 . ASP A 1 43 ? 22.127 13.999 19.887 1.00 31.56 ? 121 ASP A OD2 1 ATOM 343 N N . GLY A 1 44 ? 22.658 13.782 15.748 1.00 28.38 ? 122 GLY A N 1 ATOM 344 C CA . GLY A 1 44 ? 21.856 13.352 14.621 1.00 27.61 ? 122 GLY A CA 1 ATOM 345 C C . GLY A 1 44 ? 21.892 11.856 14.431 1.00 27.63 ? 122 GLY A C 1 ATOM 346 O O . GLY A 1 44 ? 22.905 11.205 14.705 1.00 27.48 ? 122 GLY A O 1 ATOM 347 N N . ILE A 1 45 ? 20.774 11.303 13.971 1.00 27.47 ? 123 ILE A N 1 ATOM 348 C CA . ILE A 1 45 ? 20.730 9.890 13.602 1.00 27.43 ? 123 ILE A CA 1 ATOM 349 C C . ILE A 1 45 ? 21.013 9.795 12.111 1.00 27.58 ? 123 ILE A C 1 ATOM 350 O O . ILE A 1 45 ? 20.358 10.463 11.308 1.00 27.89 ? 123 ILE A O 1 ATOM 351 C CB . ILE A 1 45 ? 19.359 9.248 13.924 1.00 27.21 ? 123 ILE A CB 1 ATOM 352 C CG1 . ILE A 1 45 ? 19.067 9.328 15.433 1.00 26.92 ? 123 ILE A CG1 1 ATOM 353 C CG2 . ILE A 1 45 ? 19.304 7.796 13.434 1.00 27.84 ? 123 ILE A CG2 1 ATOM 354 C CD1 . ILE A 1 45 ? 17.631 8.988 15.814 1.00 26.73 ? 123 ILE A CD1 1 ATOM 355 N N . LEU A 1 46 ? 21.988 8.963 11.757 1.00 27.20 ? 124 LEU A N 1 ATOM 356 C CA . LEU A 1 46 ? 22.404 8.763 10.373 1.00 27.37 ? 124 LEU A CA 1 ATOM 357 C C . LEU A 1 46 ? 21.563 7.673 9.729 1.00 27.44 ? 124 LEU A C 1 ATOM 358 O O . LEU A 1 46 ? 21.024 7.864 8.659 1.00 28.07 ? 124 LEU A O 1 ATOM 359 C CB . LEU A 1 46 ? 23.884 8.376 10.308 1.00 26.56 ? 124 LEU A CB 1 ATOM 360 C CG . LEU A 1 46 ? 24.942 9.496 10.439 1.00 27.56 ? 124 LEU A CG 1 ATOM 361 C CD1 . LEU A 1 46 ? 25.100 9.942 11.877 1.00 28.88 ? 124 LEU A CD1 1 ATOM 362 C CD2 . LEU A 1 46 ? 26.285 9.020 9.907 1.00 27.13 ? 124 LEU A CD2 1 ATOM 363 N N . VAL A 1 47 ? 21.466 6.530 10.401 1.00 27.65 ? 125 VAL A N 1 ATOM 364 C CA . VAL A 1 47 ? 20.742 5.373 9.885 1.00 28.20 ? 125 VAL A CA 1 ATOM 365 C C . VAL A 1 47 ? 20.103 4.628 11.054 1.00 27.91 ? 125 VAL A C 1 ATOM 366 O O . VAL A 1 47 ? 20.745 4.416 12.100 1.00 28.27 ? 125 VAL A O 1 ATOM 367 C CB . VAL A 1 47 ? 21.673 4.373 9.138 1.00 28.10 ? 125 VAL A CB 1 ATOM 368 C CG1 . VAL A 1 47 ? 20.850 3.328 8.380 1.00 29.01 ? 125 VAL A CG1 1 ATOM 369 C CG2 . VAL A 1 47 ? 22.601 5.085 8.190 1.00 30.44 ? 125 VAL A CG2 1 ATOM 370 N N . ARG A 1 48 ? 18.841 4.246 10.871 1.00 27.39 ? 126 ARG A N 1 ATOM 371 C CA . ARG A 1 48 ? 18.163 3.350 11.785 1.00 27.43 ? 126 ARG A CA 1 ATOM 372 C C . ARG A 1 48 ? 17.360 2.284 11.040 1.00 27.35 ? 126 ARG A C 1 ATOM 373 O O . ARG A 1 48 ? 16.534 2.588 10.166 1.00 27.06 ? 126 ARG A O 1 ATOM 374 C CB . ARG A 1 48 ? 17.256 4.114 12.763 1.00 27.28 ? 126 ARG A CB 1 ATOM 375 C CG . ARG A 1 48 ? 16.643 3.232 13.866 1.00 27.23 ? 126 ARG A CG 1 ATOM 376 C CD . ARG A 1 48 ? 15.707 4.043 14.770 1.00 27.93 ? 126 ARG A CD 1 ATOM 377 N NE . ARG A 1 48 ? 14.755 3.187 15.483 1.00 27.30 ? 126 ARG A NE 1 ATOM 378 C CZ . ARG A 1 48 ? 14.587 3.166 16.806 1.00 29.41 ? 126 ARG A CZ 1 ATOM 379 N NH1 . ARG A 1 48 ? 15.312 3.957 17.598 1.00 28.36 ? 126 ARG A NH1 1 ATOM 380 N NH2 . ARG A 1 48 ? 13.675 2.360 17.340 1.00 27.00 ? 126 ARG A NH2 1 ATOM 381 N N . ILE A 1 49 ? 17.615 1.033 11.416 1.00 27.06 ? 127 ILE A N 1 ATOM 382 C CA . ILE A 1 49 ? 16.859 -0.114 10.926 1.00 26.59 ? 127 ILE A CA 1 ATOM 383 C C . ILE A 1 49 ? 15.874 -0.517 12.018 1.00 26.79 ? 127 ILE A C 1 ATOM 384 O O . ILE A 1 49 ? 16.268 -0.683 13.173 1.00 26.36 ? 127 ILE A O 1 ATOM 385 C CB . ILE A 1 49 ? 17.799 -1.299 10.574 1.00 26.17 ? 127 ILE A CB 1 ATOM 386 C CG1 . ILE A 1 49 ? 18.880 -0.862 9.568 1.00 27.65 ? 127 ILE A CG1 1 ATOM 387 C CG2 . ILE A 1 49 ? 17.012 -2.518 10.031 1.00 26.20 ? 127 ILE A CG2 1 ATOM 388 C CD1 . ILE A 1 49 ? 20.246 -0.569 10.188 1.00 28.55 ? 127 ILE A CD1 1 ATOM 389 N N . ASP A 1 50 ? 14.597 -0.654 11.653 1.00 26.75 ? 128 ASP A N 1 ATOM 390 C CA . ASP A 1 50 ? 13.560 -1.080 12.590 1.00 27.42 ? 128 ASP A CA 1 ATOM 391 C C . ASP A 1 50 ? 12.895 -2.355 12.107 1.00 27.62 ? 128 ASP A C 1 ATOM 392 O O . ASP A 1 50 ? 12.692 -2.532 10.905 1.00 27.47 ? 128 ASP A O 1 ATOM 393 C CB . ASP A 1 50 ? 12.475 -0.007 12.751 1.00 27.58 ? 128 ASP A CB 1 ATOM 394 C CG . ASP A 1 50 ? 12.820 1.033 13.803 1.00 28.57 ? 128 ASP A CG 1 ATOM 395 O OD1 . ASP A 1 50 ? 12.425 0.860 14.978 1.00 30.14 ? 128 ASP A OD1 1 ATOM 396 O OD2 . ASP A 1 50 ? 13.468 2.030 13.450 1.00 30.57 ? 128 ASP A OD2 1 ATOM 397 N N . SER A 1 51 ? 12.550 -3.221 13.060 1.00 27.95 ? 129 SER A N 1 ATOM 398 C CA A SER A 1 51 ? 11.733 -4.398 12.789 0.32 28.44 ? 129 SER A CA 1 ATOM 399 C CA B SER A 1 51 ? 11.722 -4.397 12.801 0.68 28.40 ? 129 SER A CA 1 ATOM 400 C C . SER A 1 51 ? 10.273 -4.018 12.519 1.00 28.77 ? 129 SER A C 1 ATOM 401 O O . SER A 1 51 ? 9.879 -2.856 12.679 1.00 28.69 ? 129 SER A O 1 ATOM 402 C CB A SER A 1 51 ? 11.816 -5.380 13.961 0.32 28.33 ? 129 SER A CB 1 ATOM 403 C CB B SER A 1 51 ? 11.768 -5.351 13.995 0.68 28.19 ? 129 SER A CB 1 ATOM 404 O OG A SER A 1 51 ? 11.474 -4.743 15.176 0.32 28.67 ? 129 SER A OG 1 ATOM 405 O OG B SER A 1 51 ? 13.077 -5.836 14.178 0.68 28.64 ? 129 SER A OG 1 ATOM 406 N N . ALA A 1 52 ? 9.479 -5.006 12.106 1.00 29.35 ? 130 ALA A N 1 ATOM 407 C CA . ALA A 1 52 ? 8.048 -4.835 11.837 1.00 30.61 ? 130 ALA A CA 1 ATOM 408 C C . ALA A 1 52 ? 7.306 -4.333 13.083 1.00 31.38 ? 130 ALA A C 1 ATOM 409 O O . ALA A 1 52 ? 7.772 -4.554 14.204 1.00 31.28 ? 130 ALA A O 1 ATOM 410 C CB . ALA A 1 52 ? 7.445 -6.166 11.357 1.00 30.37 ? 130 ALA A CB 1 ATOM 411 N N . PRO A 1 53 ? 6.155 -3.655 12.895 1.00 32.34 ? 131 PRO A N 1 ATOM 412 C CA . PRO A 1 53 ? 5.372 -3.162 14.035 1.00 33.24 ? 131 PRO A CA 1 ATOM 413 C C . PRO A 1 53 ? 5.082 -4.225 15.090 1.00 33.62 ? 131 PRO A C 1 ATOM 414 O O . PRO A 1 53 ? 4.756 -5.371 14.758 1.00 33.95 ? 131 PRO A O 1 ATOM 415 C CB . PRO A 1 53 ? 4.070 -2.680 13.377 1.00 33.19 ? 131 PRO A CB 1 ATOM 416 C CG . PRO A 1 53 ? 4.527 -2.221 12.019 1.00 32.97 ? 131 PRO A CG 1 ATOM 417 C CD . PRO A 1 53 ? 5.521 -3.281 11.613 1.00 32.46 ? 131 PRO A CD 1 ATOM 418 N N . GLY A 1 54 ? 5.229 -3.842 16.356 1.00 34.07 ? 132 GLY A N 1 ATOM 419 C CA . GLY A 1 54 ? 4.986 -4.757 17.466 1.00 34.31 ? 132 GLY A CA 1 ATOM 420 C C . GLY A 1 54 ? 6.239 -5.451 17.960 1.00 34.47 ? 132 GLY A C 1 ATOM 421 O O . GLY A 1 54 ? 6.255 -5.990 19.068 1.00 35.06 ? 132 GLY A O 1 ATOM 422 N N . LEU A 1 55 ? 7.282 -5.466 17.132 1.00 33.99 ? 133 LEU A N 1 ATOM 423 C CA . LEU A 1 55 ? 8.578 -5.988 17.535 1.00 33.63 ? 133 LEU A CA 1 ATOM 424 C C . LEU A 1 55 ? 9.467 -4.793 17.878 1.00 33.35 ? 133 LEU A C 1 ATOM 425 O O . LEU A 1 55 ? 9.475 -3.792 17.157 1.00 33.88 ? 133 LEU A O 1 ATOM 426 C CB . LEU A 1 55 ? 9.204 -6.825 16.412 1.00 33.78 ? 133 LEU A CB 1 ATOM 427 C CG . LEU A 1 55 ? 8.334 -7.857 15.675 1.00 34.37 ? 133 LEU A CG 1 ATOM 428 C CD1 . LEU A 1 55 ? 9.102 -8.476 14.518 1.00 33.55 ? 133 LEU A CD1 1 ATOM 429 C CD2 . LEU A 1 55 ? 7.813 -8.944 16.607 1.00 34.52 ? 133 LEU A CD2 1 ATOM 430 N N . GLY A 1 56 ? 10.199 -4.892 18.983 1.00 32.49 ? 134 GLY A N 1 ATOM 431 C CA . GLY A 1 56 ? 11.009 -3.780 19.464 1.00 30.96 ? 134 GLY A CA 1 ATOM 432 C C . GLY A 1 56 ? 12.414 -3.675 18.905 1.00 30.34 ? 134 GLY A C 1 ATOM 433 O O . GLY A 1 56 ? 13.123 -2.712 19.219 1.00 30.39 ? 134 GLY A O 1 ATOM 434 N N . ASP A 1 57 ? 12.827 -4.649 18.085 1.00 29.04 ? 135 ASP A N 1 ATOM 435 C CA . ASP A 1 57 ? 14.203 -4.698 17.587 1.00 28.41 ? 135 ASP A CA 1 ATOM 436 C C . ASP A 1 57 ? 14.535 -3.476 16.723 1.00 27.90 ? 135 ASP A C 1 ATOM 437 O O . ASP A 1 57 ? 13.712 -3.012 15.928 1.00 27.25 ? 135 ASP A O 1 ATOM 438 C CB . ASP A 1 57 ? 14.491 -5.971 16.769 1.00 28.22 ? 135 ASP A CB 1 ATOM 439 C CG . ASP A 1 57 ? 14.330 -7.266 17.565 1.00 28.37 ? 135 ASP A CG 1 ATOM 440 O OD1 . ASP A 1 57 ? 13.621 -7.294 18.587 1.00 29.54 ? 135 ASP A OD1 1 ATOM 441 O OD2 . ASP A 1 57 ? 14.916 -8.281 17.138 1.00 27.44 ? 135 ASP A OD2 1 ATOM 442 N N . PHE A 1 58 ? 15.748 -2.967 16.895 1.00 27.69 ? 136 PHE A N 1 ATOM 443 C CA . PHE A 1 58 ? 16.251 -1.876 16.067 1.00 27.79 ? 136 PHE A CA 1 ATOM 444 C C . PHE A 1 58 ? 17.776 -1.834 16.115 1.00 28.25 ? 136 PHE A C 1 ATOM 445 O O . PHE A 1 58 ? 18.411 -2.483 16.968 1.00 27.81 ? 136 PHE A O 1 ATOM 446 C CB . PHE A 1 58 ? 15.653 -0.524 16.497 1.00 27.81 ? 136 PHE A CB 1 ATOM 447 C CG . PHE A 1 58 ? 16.205 -0.011 17.794 1.00 28.05 ? 136 PHE A CG 1 ATOM 448 C CD1 . PHE A 1 58 ? 15.612 -0.360 19.002 1.00 28.48 ? 136 PHE A CD1 1 ATOM 449 C CD2 . PHE A 1 58 ? 17.328 0.816 17.807 1.00 28.18 ? 136 PHE A CD2 1 ATOM 450 C CE1 . PHE A 1 58 ? 16.125 0.107 20.203 1.00 29.12 ? 136 PHE A CE1 1 ATOM 451 C CE2 . PHE A 1 58 ? 17.853 1.282 19.009 1.00 28.11 ? 136 PHE A CE2 1 ATOM 452 C CZ . PHE A 1 58 ? 17.254 0.930 20.199 1.00 29.13 ? 136 PHE A CZ 1 ATOM 453 N N . LEU A 1 59 ? 18.348 -1.078 15.181 1.00 27.82 ? 137 LEU A N 1 ATOM 454 C CA . LEU A 1 59 ? 19.783 -0.852 15.102 1.00 28.26 ? 137 LEU A CA 1 ATOM 455 C C . LEU A 1 59 ? 19.954 0.582 14.620 1.00 28.13 ? 137 LEU A C 1 ATOM 456 O O . LEU A 1 59 ? 19.501 0.924 13.530 1.00 28.25 ? 137 LEU A O 1 ATOM 457 C CB . LEU A 1 59 ? 20.423 -1.843 14.117 1.00 27.97 ? 137 LEU A CB 1 ATOM 458 C CG . LEU A 1 59 ? 21.949 -2.001 14.074 1.00 30.33 ? 137 LEU A CG 1 ATOM 459 C CD1 . LEU A 1 59 ? 22.338 -3.326 13.390 1.00 30.57 ? 137 LEU A CD1 1 ATOM 460 C CD2 . LEU A 1 59 ? 22.614 -0.822 13.368 1.00 28.49 ? 137 LEU A CD2 1 ATOM 461 N N . GLN A 1 60 ? 20.597 1.419 15.434 1.00 27.99 ? 138 GLN A N 1 ATOM 462 C CA . GLN A 1 60 ? 20.661 2.860 15.171 1.00 27.60 ? 138 GLN A CA 1 ATOM 463 C C . GLN A 1 60 ? 22.102 3.378 15.200 1.00 27.70 ? 138 GLN A C 1 ATOM 464 O O . GLN A 1 60 ? 22.793 3.229 16.200 1.00 28.30 ? 138 GLN A O 1 ATOM 465 C CB . GLN A 1 60 ? 19.789 3.590 16.204 1.00 27.52 ? 138 GLN A CB 1 ATOM 466 C CG . GLN A 1 60 ? 19.799 5.109 16.151 1.00 27.20 ? 138 GLN A CG 1 ATOM 467 C CD . GLN A 1 60 ? 18.928 5.707 17.221 1.00 27.76 ? 138 GLN A CD 1 ATOM 468 O OE1 . GLN A 1 60 ? 17.711 5.566 17.178 1.00 29.59 ? 138 GLN A OE1 1 ATOM 469 N NE2 . GLN A 1 60 ? 19.543 6.374 18.201 1.00 26.77 ? 138 GLN A NE2 1 ATOM 470 N N . LEU A 1 61 ? 22.549 3.952 14.086 1.00 27.78 ? 139 LEU A N 1 ATOM 471 C CA . LEU A 1 61 ? 23.842 4.633 13.996 1.00 27.60 ? 139 LEU A CA 1 ATOM 472 C C . LEU A 1 61 ? 23.600 6.126 14.174 1.00 27.84 ? 139 LEU A C 1 ATOM 473 O O . LEU A 1 61 ? 22.819 6.719 13.433 1.00 27.47 ? 139 LEU A O 1 ATOM 474 C CB . LEU A 1 61 ? 24.486 4.363 12.619 1.00 27.24 ? 139 LEU A CB 1 ATOM 475 C CG . LEU A 1 61 ? 25.775 5.127 12.264 1.00 27.20 ? 139 LEU A CG 1 ATOM 476 C CD1 . LEU A 1 61 ? 26.978 4.618 13.094 1.00 26.29 ? 139 LEU A CD1 1 ATOM 477 C CD2 . LEU A 1 61 ? 26.068 5.028 10.749 1.00 25.40 ? 139 LEU A CD2 1 ATOM 478 N N . HIS A 1 62 ? 24.260 6.742 15.153 1.00 28.23 ? 140 HIS A N 1 ATOM 479 C CA . HIS A 1 62 ? 23.969 8.134 15.465 1.00 28.76 ? 140 HIS A CA 1 ATOM 480 C C . HIS A 1 62 ? 25.178 8.888 16.028 1.00 28.22 ? 140 HIS A C 1 ATOM 481 O O . HIS A 1 62 ? 26.178 8.289 16.427 1.00 28.11 ? 140 HIS A O 1 ATOM 482 C CB . HIS A 1 62 ? 22.770 8.230 16.434 1.00 28.79 ? 140 HIS A CB 1 ATOM 483 C CG . HIS A 1 62 ? 23.041 7.651 17.789 1.00 31.84 ? 140 HIS A CG 1 ATOM 484 N ND1 . HIS A 1 62 ? 23.418 6.339 17.978 1.00 35.52 ? 140 HIS A ND1 1 ATOM 485 C CD2 . HIS A 1 62 ? 22.978 8.201 19.021 1.00 34.17 ? 140 HIS A CD2 1 ATOM 486 C CE1 . HIS A 1 62 ? 23.599 6.112 19.265 1.00 33.66 ? 140 HIS A CE1 1 ATOM 487 N NE2 . HIS A 1 62 ? 23.337 7.225 19.921 1.00 35.60 ? 140 HIS A NE2 1 ATOM 488 N N . ILE A 1 63 ? 25.059 10.209 16.055 1.00 28.17 ? 141 ILE A N 1 ATOM 489 C CA . ILE A 1 63 ? 26.056 11.077 16.667 1.00 27.79 ? 141 ILE A CA 1 ATOM 490 C C . ILE A 1 63 ? 25.422 11.748 17.891 1.00 28.03 ? 141 ILE A C 1 ATOM 491 O O . ILE A 1 63 ? 24.297 12.230 17.816 1.00 27.55 ? 141 ILE A O 1 ATOM 492 C CB . ILE A 1 63 ? 26.596 12.106 15.642 1.00 27.70 ? 141 ILE A CB 1 ATOM 493 C CG1 . ILE A 1 63 ? 27.468 11.395 14.586 1.00 28.37 ? 141 ILE A CG1 1 ATOM 494 C CG2 . ILE A 1 63 ? 27.370 13.222 16.331 1.00 27.51 ? 141 ILE A CG2 1 ATOM 495 C CD1 . ILE A 1 63 ? 27.904 12.270 13.428 1.00 27.31 ? 141 ILE A CD1 1 ATOM 496 N N . GLU A 1 64 ? 26.137 11.734 19.014 1.00 28.36 ? 142 GLU A N 1 ATOM 497 C CA . GLU A 1 64 ? 25.704 12.377 20.255 1.00 29.49 ? 142 GLU A CA 1 ATOM 498 C C . GLU A 1 64 ? 26.884 13.142 20.828 1.00 28.99 ? 142 GLU A C 1 ATOM 499 O O . GLU A 1 64 ? 27.955 12.559 21.050 1.00 28.42 ? 142 GLU A O 1 ATOM 500 C CB . GLU A 1 64 ? 25.270 11.343 21.291 1.00 30.36 ? 142 GLU A CB 1 ATOM 501 C CG . GLU A 1 64 ? 23.927 10.703 21.053 1.00 34.30 ? 142 GLU A CG 1 ATOM 502 C CD . GLU A 1 64 ? 23.425 9.946 22.282 1.00 38.58 ? 142 GLU A CD 1 ATOM 503 O OE1 . GLU A 1 64 ? 24.198 9.151 22.870 1.00 40.60 ? 142 GLU A OE1 1 ATOM 504 O OE2 . GLU A 1 64 ? 22.251 10.147 22.655 1.00 41.44 ? 142 GLU A OE2 1 ATOM 505 N N . GLN A 1 65 ? 26.689 14.436 21.064 1.00 28.91 ? 143 GLN A N 1 ATOM 506 C CA . GLN A 1 65 ? 27.780 15.334 21.465 1.00 28.83 ? 143 GLN A CA 1 ATOM 507 C C . GLN A 1 65 ? 29.018 15.172 20.558 1.00 28.64 ? 143 GLN A C 1 ATOM 508 O O . GLN A 1 65 ? 30.156 15.118 21.031 1.00 28.68 ? 143 GLN A O 1 ATOM 509 C CB . GLN A 1 65 ? 28.130 15.130 22.941 1.00 29.48 ? 143 GLN A CB 1 ATOM 510 C CG . GLN A 1 65 ? 27.098 15.701 23.907 1.00 31.94 ? 143 GLN A CG 1 ATOM 511 C CD . GLN A 1 65 ? 27.369 15.302 25.343 1.00 36.00 ? 143 GLN A CD 1 ATOM 512 O OE1 . GLN A 1 65 ? 27.482 14.115 25.659 1.00 38.58 ? 143 GLN A OE1 1 ATOM 513 N NE2 . GLN A 1 65 ? 27.470 16.290 26.222 1.00 37.54 ? 143 GLN A NE2 1 ATOM 514 N N . GLY A 1 66 ? 28.778 15.073 19.251 1.00 27.72 ? 144 GLY A N 1 ATOM 515 C CA . GLY A 1 66 ? 29.856 15.023 18.262 1.00 27.26 ? 144 GLY A CA 1 ATOM 516 C C . GLY A 1 66 ? 30.522 13.670 18.114 1.00 27.06 ? 144 GLY A C 1 ATOM 517 O O . GLY A 1 66 ? 31.400 13.488 17.259 1.00 26.89 ? 144 GLY A O 1 ATOM 518 N N . LYS A 1 67 ? 30.097 12.715 18.936 1.00 26.84 ? 145 LYS A N 1 ATOM 519 C CA . LYS A 1 67 ? 30.676 11.379 18.933 1.00 27.01 ? 145 LYS A CA 1 ATOM 520 C C . LYS A 1 67 ? 29.727 10.344 18.357 1.00 26.82 ? 145 LYS A C 1 ATOM 521 O O . LYS A 1 67 ? 28.527 10.332 18.670 1.00 26.53 ? 145 LYS A O 1 ATOM 522 C CB . LYS A 1 67 ? 31.134 10.998 20.338 1.00 26.88 ? 145 LYS A CB 1 ATOM 523 C CG . LYS A 1 67 ? 32.236 11.931 20.829 1.00 27.80 ? 145 LYS A CG 1 ATOM 524 C CD . LYS A 1 67 ? 32.646 11.639 22.231 1.00 29.17 ? 145 LYS A CD 1 ATOM 525 C CE . LYS A 1 67 ? 33.904 12.420 22.545 1.00 30.48 ? 145 LYS A CE 1 ATOM 526 N NZ . LYS A 1 67 ? 34.208 12.342 23.990 1.00 32.37 ? 145 LYS A NZ 1 ATOM 527 N N . ILE A 1 68 ? 30.281 9.492 17.502 1.00 26.43 ? 146 ILE A N 1 ATOM 528 C CA . ILE A 1 68 ? 29.495 8.503 16.758 1.00 26.59 ? 146 ILE A CA 1 ATOM 529 C C . ILE A 1 68 ? 29.439 7.168 17.497 1.00 26.41 ? 146 ILE A C 1 ATOM 530 O O . ILE A 1 68 ? 30.424 6.730 18.101 1.00 26.08 ? 146 ILE A O 1 ATOM 531 C CB . ILE A 1 68 ? 30.027 8.313 15.299 1.00 26.29 ? 146 ILE A CB 1 ATOM 532 C CG1 . ILE A 1 68 ? 29.005 7.569 14.422 1.00 26.95 ? 146 ILE A CG1 1 ATOM 533 C CG2 . ILE A 1 68 ? 31.399 7.623 15.282 1.00 26.83 ? 146 ILE A CG2 1 ATOM 534 C CD1 . ILE A 1 68 ? 29.047 7.991 12.954 1.00 25.56 ? 146 ILE A CD1 1 ATOM 535 N N . GLY A 1 69 ? 28.278 6.531 17.430 1.00 26.37 ? 147 GLY A N 1 ATOM 536 C CA . GLY A 1 69 ? 28.039 5.270 18.123 1.00 26.35 ? 147 GLY A CA 1 ATOM 537 C C . GLY A 1 69 ? 26.890 4.517 17.490 1.00 26.56 ? 147 GLY A C 1 ATOM 538 O O . GLY A 1 69 ? 26.187 5.045 16.626 1.00 26.49 ? 147 GLY A O 1 ATOM 539 N N . VAL A 1 70 ? 26.721 3.265 17.898 1.00 26.54 ? 148 VAL A N 1 ATOM 540 C CA . VAL A 1 70 ? 25.560 2.471 17.502 1.00 26.36 ? 148 VAL A CA 1 ATOM 541 C C . VAL A 1 70 ? 24.873 2.017 18.790 1.00 26.86 ? 148 VAL A C 1 ATOM 542 O O . VAL A 1 70 ? 25.534 1.579 19.745 1.00 27.01 ? 148 VAL A O 1 ATOM 543 C CB . VAL A 1 70 ? 25.933 1.243 16.606 1.00 26.03 ? 148 VAL A CB 1 ATOM 544 C CG1 . VAL A 1 70 ? 24.728 0.309 16.389 1.00 25.46 ? 148 VAL A CG1 1 ATOM 545 C CG2 . VAL A 1 70 ? 26.486 1.687 15.262 1.00 26.14 ? 148 VAL A CG2 1 ATOM 546 N N . VAL A 1 71 ? 23.553 2.167 18.821 1.00 26.74 ? 149 VAL A N 1 ATOM 547 C CA . VAL A 1 71 ? 22.715 1.551 19.846 1.00 26.94 ? 149 VAL A CA 1 ATOM 548 C C . VAL A 1 71 ? 21.766 0.586 19.135 1.00 26.92 ? 149 VAL A C 1 ATOM 549 O O . VAL A 1 71 ? 21.222 0.899 18.073 1.00 26.76 ? 149 VAL A O 1 ATOM 550 C CB . VAL A 1 71 ? 21.980 2.598 20.753 1.00 26.73 ? 149 VAL A CB 1 ATOM 551 C CG1 . VAL A 1 71 ? 21.110 3.544 19.949 1.00 27.66 ? 149 VAL A CG1 1 ATOM 552 C CG2 . VAL A 1 71 ? 21.165 1.918 21.867 1.00 27.39 ? 149 VAL A CG2 1 ATOM 553 N N . PHE A 1 72 ? 21.609 -0.607 19.701 1.00 26.62 ? 150 PHE A N 1 ATOM 554 C CA . PHE A 1 72 ? 20.732 -1.602 19.101 1.00 26.52 ? 150 PHE A CA 1 ATOM 555 C C . PHE A 1 72 ? 20.008 -2.415 20.168 1.00 26.19 ? 150 PHE A C 1 ATOM 556 O O . PHE A 1 72 ? 20.373 -2.381 21.344 1.00 26.13 ? 150 PHE A O 1 ATOM 557 C CB . PHE A 1 72 ? 21.491 -2.498 18.085 1.00 26.89 ? 150 PHE A CB 1 ATOM 558 C CG . PHE A 1 72 ? 22.530 -3.409 18.702 1.00 27.11 ? 150 PHE A CG 1 ATOM 559 C CD1 . PHE A 1 72 ? 22.206 -4.714 19.057 1.00 27.13 ? 150 PHE A CD1 1 ATOM 560 C CD2 . PHE A 1 72 ? 23.841 -2.971 18.896 1.00 28.95 ? 150 PHE A CD2 1 ATOM 561 C CE1 . PHE A 1 72 ? 23.160 -5.559 19.611 1.00 27.66 ? 150 PHE A CE1 1 ATOM 562 C CE2 . PHE A 1 72 ? 24.797 -3.815 19.457 1.00 26.74 ? 150 PHE A CE2 1 ATOM 563 C CZ . PHE A 1 72 ? 24.454 -5.108 19.804 1.00 27.40 ? 150 PHE A CZ 1 ATOM 564 N N . ASN A 1 73 ? 18.967 -3.119 19.747 1.00 25.89 ? 151 ASN A N 1 ATOM 565 C CA . ASN A 1 73 ? 18.177 -3.958 20.631 1.00 26.33 ? 151 ASN A CA 1 ATOM 566 C C . ASN A 1 73 ? 17.724 -5.136 19.795 1.00 26.34 ? 151 ASN A C 1 ATOM 567 O O . ASN A 1 73 ? 17.114 -4.953 18.744 1.00 26.55 ? 151 ASN A O 1 ATOM 568 C CB . ASN A 1 73 ? 16.981 -3.167 21.183 1.00 26.22 ? 151 ASN A CB 1 ATOM 569 C CG . ASN A 1 73 ? 16.224 -3.906 22.290 1.00 27.07 ? 151 ASN A CG 1 ATOM 570 O OD1 . ASN A 1 73 ? 15.810 -5.055 22.124 1.00 26.86 ? 151 ASN A OD1 1 ATOM 571 N ND2 . ASN A 1 73 ? 16.021 -3.230 23.420 1.00 27.55 ? 151 ASN A ND2 1 ATOM 572 N N . ILE A 1 74 ? 18.070 -6.338 20.237 1.00 26.41 ? 152 ILE A N 1 ATOM 573 C CA . ILE A 1 74 ? 17.661 -7.570 19.559 1.00 25.99 ? 152 ILE A CA 1 ATOM 574 C C . ILE A 1 74 ? 16.712 -8.400 20.443 1.00 26.17 ? 152 ILE A C 1 ATOM 575 O O . ILE A 1 74 ? 16.560 -9.613 20.262 1.00 25.74 ? 152 ILE A O 1 ATOM 576 C CB . ILE A 1 74 ? 18.883 -8.393 19.110 1.00 26.34 ? 152 ILE A CB 1 ATOM 577 C CG1 . ILE A 1 74 ? 19.818 -8.668 20.294 1.00 26.31 ? 152 ILE A CG1 1 ATOM 578 C CG2 . ILE A 1 74 ? 19.628 -7.670 17.947 1.00 26.27 ? 152 ILE A CG2 1 ATOM 579 C CD1 . ILE A 1 74 ? 20.871 -9.731 20.020 1.00 27.67 ? 152 ILE A CD1 1 ATOM 580 N N . GLY A 1 75 ? 16.074 -7.730 21.400 1.00 25.57 ? 153 GLY A N 1 ATOM 581 C CA . GLY A 1 75 ? 15.016 -8.349 22.185 1.00 25.37 ? 153 GLY A CA 1 ATOM 582 C C . GLY A 1 75 ? 15.224 -8.364 23.688 1.00 25.43 ? 153 GLY A C 1 ATOM 583 O O . GLY A 1 75 ? 14.364 -8.860 24.423 1.00 25.82 ? 153 GLY A O 1 ATOM 584 N N . THR A 1 76 ? 16.360 -7.847 24.153 1.00 24.69 ? 154 THR A N 1 ATOM 585 C CA . THR A 1 76 ? 16.578 -7.697 25.593 1.00 25.01 ? 154 THR A CA 1 ATOM 586 C C . THR A 1 76 ? 16.533 -6.251 26.088 1.00 25.04 ? 154 THR A C 1 ATOM 587 O O . THR A 1 76 ? 15.469 -5.775 26.468 1.00 25.68 ? 154 THR A O 1 ATOM 588 C CB . THR A 1 76 ? 17.871 -8.426 26.105 1.00 24.74 ? 154 THR A CB 1 ATOM 589 O OG1 . THR A 1 76 ? 19.034 -7.915 25.435 1.00 24.96 ? 154 THR A OG1 1 ATOM 590 C CG2 . THR A 1 76 ? 17.775 -9.929 25.850 1.00 23.81 ? 154 THR A CG2 1 ATOM 591 N N . VAL A 1 77 ? 17.663 -5.553 26.056 1.00 24.89 ? 155 VAL A N 1 ATOM 592 C CA . VAL A 1 77 ? 17.736 -4.141 26.444 1.00 24.89 ? 155 VAL A CA 1 ATOM 593 C C . VAL A 1 77 ? 18.636 -3.478 25.396 1.00 25.33 ? 155 VAL A C 1 ATOM 594 O O . VAL A 1 77 ? 19.303 -4.173 24.626 1.00 24.42 ? 155 VAL A O 1 ATOM 595 C CB . VAL A 1 77 ? 18.279 -3.861 27.878 1.00 25.03 ? 155 VAL A CB 1 ATOM 596 C CG1 . VAL A 1 77 ? 17.328 -4.418 28.941 1.00 24.31 ? 155 VAL A CG1 1 ATOM 597 C CG2 . VAL A 1 77 ? 19.686 -4.458 28.058 1.00 24.72 ? 155 VAL A CG2 1 ATOM 598 N N . ASP A 1 78 ? 18.646 -2.144 25.358 1.00 26.17 ? 156 ASP A N 1 ATOM 599 C CA . ASP A 1 78 ? 19.513 -1.415 24.426 1.00 26.96 ? 156 ASP A CA 1 ATOM 600 C C . ASP A 1 78 ? 20.980 -1.718 24.723 1.00 27.18 ? 156 ASP A C 1 ATOM 601 O O . ASP A 1 78 ? 21.415 -1.686 25.878 1.00 27.30 ? 156 ASP A O 1 ATOM 602 C CB . ASP A 1 78 ? 19.255 0.098 24.474 1.00 27.34 ? 156 ASP A CB 1 ATOM 603 C CG . ASP A 1 78 ? 17.849 0.478 24.015 1.00 29.17 ? 156 ASP A CG 1 ATOM 604 O OD1 . ASP A 1 78 ? 17.077 -0.411 23.584 1.00 30.22 ? 156 ASP A OD1 1 ATOM 605 O OD2 . ASP A 1 78 ? 17.512 1.684 24.089 1.00 30.89 ? 156 ASP A OD2 1 ATOM 606 N N . ILE A 1 79 ? 21.720 -2.057 23.674 1.00 27.49 ? 157 ILE A N 1 ATOM 607 C CA . ILE A 1 79 ? 23.152 -2.325 23.765 1.00 27.87 ? 157 ILE A CA 1 ATOM 608 C C . ILE A 1 79 ? 23.850 -1.230 22.970 1.00 28.43 ? 157 ILE A C 1 ATOM 609 O O . ILE A 1 79 ? 23.511 -0.994 21.808 1.00 28.82 ? 157 ILE A O 1 ATOM 610 C CB . ILE A 1 79 ? 23.507 -3.734 23.198 1.00 27.58 ? 157 ILE A CB 1 ATOM 611 C CG1 . ILE A 1 79 ? 22.720 -4.819 23.939 1.00 27.40 ? 157 ILE A CG1 1 ATOM 612 C CG2 . ILE A 1 79 ? 25.019 -4.004 23.303 1.00 28.58 ? 157 ILE A CG2 1 ATOM 613 C CD1 . ILE A 1 79 ? 22.706 -6.173 23.263 1.00 27.25 ? 157 ILE A CD1 1 ATOM 614 N N . SER A 1 80 ? 24.822 -0.567 23.597 1.00 28.67 ? 158 SER A N 1 ATOM 615 C CA A SER A 1 80 ? 25.487 0.589 22.998 0.44 28.73 ? 158 SER A CA 1 ATOM 616 C CA B SER A 1 80 ? 25.483 0.574 22.977 0.56 28.82 ? 158 SER A CA 1 ATOM 617 C C . SER A 1 80 ? 26.991 0.376 22.821 1.00 28.51 ? 158 SER A C 1 ATOM 618 O O . SER A 1 80 ? 27.647 -0.241 23.668 1.00 28.16 ? 158 SER A O 1 ATOM 619 C CB A SER A 1 80 ? 25.252 1.838 23.859 0.44 28.74 ? 158 SER A CB 1 ATOM 620 C CB B SER A 1 80 ? 25.205 1.841 23.791 0.56 28.87 ? 158 SER A CB 1 ATOM 621 O OG A SER A 1 80 ? 23.876 2.022 24.146 0.44 29.46 ? 158 SER A OG 1 ATOM 622 O OG B SER A 1 80 ? 25.375 2.993 22.992 0.56 29.94 ? 158 SER A OG 1 ATOM 623 N N . ILE A 1 81 ? 27.524 0.900 21.723 1.00 28.45 ? 159 ILE A N 1 ATOM 624 C CA . ILE A 1 81 ? 28.958 0.932 21.476 1.00 28.20 ? 159 ILE A CA 1 ATOM 625 C C . ILE A 1 81 ? 29.275 2.292 20.845 1.00 28.38 ? 159 ILE A C 1 ATOM 626 O O . ILE A 1 81 ? 28.551 2.765 19.968 1.00 28.35 ? 159 ILE A O 1 ATOM 627 C CB . ILE A 1 81 ? 29.464 -0.281 20.621 1.00 28.73 ? 159 ILE A CB 1 ATOM 628 C CG1 . ILE A 1 81 ? 30.995 -0.245 20.466 1.00 27.90 ? 159 ILE A CG1 1 ATOM 629 C CG2 . ILE A 1 81 ? 28.748 -0.367 19.249 1.00 27.91 ? 159 ILE A CG2 1 ATOM 630 C CD1 . ILE A 1 81 ? 31.579 -1.527 19.876 1.00 27.96 ? 159 ILE A CD1 1 ATOM 631 N N . LYS A 1 82 ? 30.345 2.926 21.303 1.00 27.97 ? 160 LYS A N 1 ATOM 632 C CA . LYS A 1 82 ? 30.595 4.296 20.923 1.00 28.83 ? 160 LYS A CA 1 ATOM 633 C C . LYS A 1 82 ? 32.080 4.568 20.736 1.00 28.57 ? 160 LYS A C 1 ATOM 634 O O . LYS A 1 82 ? 32.906 4.026 21.458 1.00 28.01 ? 160 LYS A O 1 ATOM 635 C CB . LYS A 1 82 ? 30.037 5.193 22.018 1.00 29.50 ? 160 LYS A CB 1 ATOM 636 C CG . LYS A 1 82 ? 30.033 6.660 21.726 1.00 32.15 ? 160 LYS A CG 1 ATOM 637 C CD . LYS A 1 82 ? 29.270 7.354 22.835 1.00 37.55 ? 160 LYS A CD 1 ATOM 638 C CE . LYS A 1 82 ? 29.069 8.805 22.517 1.00 40.60 ? 160 LYS A CE 1 ATOM 639 N NZ . LYS A 1 82 ? 28.354 8.942 21.216 1.00 42.59 ? 160 LYS A NZ 1 ATOM 640 N N . GLU A 1 83 ? 32.408 5.406 19.757 1.00 28.23 ? 161 GLU A N 1 ATOM 641 C CA . GLU A 1 83 ? 33.742 5.967 19.661 1.00 28.47 ? 161 GLU A CA 1 ATOM 642 C C . GLU A 1 83 ? 33.798 7.182 20.602 1.00 28.81 ? 161 GLU A C 1 ATOM 643 O O . GLU A 1 83 ? 33.388 8.285 20.246 1.00 28.49 ? 161 GLU A O 1 ATOM 644 C CB . GLU A 1 83 ? 34.087 6.308 18.199 1.00 28.18 ? 161 GLU A CB 1 ATOM 645 C CG . GLU A 1 83 ? 35.445 6.995 17.989 1.00 28.14 ? 161 GLU A CG 1 ATOM 646 C CD . GLU A 1 83 ? 36.597 6.286 18.686 1.00 28.71 ? 161 GLU A CD 1 ATOM 647 O OE1 . GLU A 1 83 ? 36.928 5.133 18.318 1.00 26.51 ? 161 GLU A OE1 1 ATOM 648 O OE2 . GLU A 1 83 ? 37.196 6.904 19.592 1.00 29.89 ? 161 GLU A OE2 1 ATOM 649 N N . GLU A 1 84 ? 34.290 6.951 21.814 1.00 29.96 ? 162 GLU A N 1 ATOM 650 C CA . GLU A 1 84 ? 34.248 7.956 22.889 1.00 31.53 ? 162 GLU A CA 1 ATOM 651 C C . GLU A 1 84 ? 35.470 8.858 22.927 1.00 31.64 ? 162 GLU A C 1 ATOM 652 O O . GLU A 1 84 ? 35.449 9.926 23.548 1.00 31.83 ? 162 GLU A O 1 ATOM 653 C CB . GLU A 1 84 ? 34.077 7.279 24.254 1.00 31.98 ? 162 GLU A CB 1 ATOM 654 C CG . GLU A 1 84 ? 32.884 6.352 24.311 1.00 35.29 ? 162 GLU A CG 1 ATOM 655 C CD . GLU A 1 84 ? 32.189 6.352 25.650 1.00 40.36 ? 162 GLU A CD 1 ATOM 656 O OE1 . GLU A 1 84 ? 32.849 6.023 26.666 1.00 42.79 ? 162 GLU A OE1 1 ATOM 657 O OE2 . GLU A 1 84 ? 30.975 6.669 25.684 1.00 42.13 ? 162 GLU A OE2 1 ATOM 658 N N . ARG A 1 85 ? 36.540 8.420 22.277 1.00 31.92 ? 163 ARG A N 1 ATOM 659 C CA . ARG A 1 85 ? 37.822 9.098 22.384 1.00 32.39 ? 163 ARG A CA 1 ATOM 660 C C . ARG A 1 85 ? 37.906 10.366 21.545 1.00 31.56 ? 163 ARG A C 1 ATOM 661 O O . ARG A 1 85 ? 38.425 11.383 22.009 1.00 30.98 ? 163 ARG A O 1 ATOM 662 C CB . ARG A 1 85 ? 38.970 8.136 22.066 1.00 32.41 ? 163 ARG A CB 1 ATOM 663 C CG . ARG A 1 85 ? 39.189 7.106 23.173 1.00 34.52 ? 163 ARG A CG 1 ATOM 664 C CD . ARG A 1 85 ? 40.343 6.139 22.895 1.00 35.66 ? 163 ARG A CD 1 ATOM 665 N NE . ARG A 1 85 ? 40.598 5.286 24.063 1.00 42.56 ? 163 ARG A NE 1 ATOM 666 C CZ . ARG A 1 85 ? 41.437 4.250 24.093 1.00 44.92 ? 163 ARG A CZ 1 ATOM 667 N NH1 . ARG A 1 85 ? 42.128 3.902 23.008 1.00 46.87 ? 163 ARG A NH1 1 ATOM 668 N NH2 . ARG A 1 85 ? 41.582 3.553 25.217 1.00 46.32 ? 163 ARG A NH2 1 ATOM 669 N N . THR A 1 86 ? 37.387 10.306 20.321 1.00 30.72 ? 164 THR A N 1 ATOM 670 C CA . THR A 1 86 ? 37.555 11.401 19.372 1.00 30.42 ? 164 THR A CA 1 ATOM 671 C C . THR A 1 86 ? 36.239 11.724 18.663 1.00 29.43 ? 164 THR A C 1 ATOM 672 O O . THR A 1 86 ? 35.603 10.825 18.124 1.00 29.25 ? 164 THR A O 1 ATOM 673 C CB . THR A 1 86 ? 38.652 11.063 18.325 1.00 30.22 ? 164 THR A CB 1 ATOM 674 O OG1 . THR A 1 86 ? 39.848 10.664 19.007 1.00 31.81 ? 164 THR A OG1 1 ATOM 675 C CG2 . THR A 1 86 ? 38.959 12.278 17.430 1.00 30.40 ? 164 THR A CG2 1 ATOM 676 N N . PRO A 1 87 ? 35.837 13.013 18.660 1.00 29.08 ? 165 PRO A N 1 ATOM 677 C CA . PRO A 1 87 ? 34.633 13.443 17.938 1.00 28.91 ? 165 PRO A CA 1 ATOM 678 C C . PRO A 1 87 ? 34.811 13.309 16.421 1.00 28.57 ? 165 PRO A C 1 ATOM 679 O O . PRO A 1 87 ? 35.944 13.362 15.923 1.00 28.38 ? 165 PRO A O 1 ATOM 680 C CB . PRO A 1 87 ? 34.505 14.923 18.299 1.00 28.73 ? 165 PRO A CB 1 ATOM 681 C CG . PRO A 1 87 ? 35.422 15.141 19.458 1.00 29.28 ? 165 PRO A CG 1 ATOM 682 C CD . PRO A 1 87 ? 36.509 14.141 19.327 1.00 28.89 ? 165 PRO A CD 1 ATOM 683 N N . VAL A 1 88 ? 33.700 13.151 15.706 1.00 28.19 ? 166 VAL A N 1 ATOM 684 C CA . VAL A 1 88 ? 33.721 12.993 14.242 1.00 27.72 ? 166 VAL A CA 1 ATOM 685 C C . VAL A 1 88 ? 33.012 14.128 13.492 1.00 27.76 ? 166 VAL A C 1 ATOM 686 O O . VAL A 1 88 ? 32.905 14.093 12.252 1.00 27.87 ? 166 VAL A O 1 ATOM 687 C CB . VAL A 1 88 ? 33.089 11.652 13.796 1.00 27.88 ? 166 VAL A CB 1 ATOM 688 C CG1 . VAL A 1 88 ? 33.899 10.468 14.291 1.00 27.19 ? 166 VAL A CG1 1 ATOM 689 C CG2 . VAL A 1 88 ? 31.610 11.568 14.224 1.00 26.50 ? 166 VAL A CG2 1 ATOM 690 N N . ASN A 1 89 ? 32.529 15.122 14.234 1.00 27.19 ? 167 ASN A N 1 ATOM 691 C CA . ASN A 1 89 ? 31.815 16.251 13.641 1.00 27.02 ? 167 ASN A CA 1 ATOM 692 C C . ASN A 1 89 ? 32.735 17.419 13.304 1.00 26.82 ? 167 ASN A C 1 ATOM 693 O O . ASN A 1 89 ? 32.408 18.586 13.559 1.00 26.87 ? 167 ASN A O 1 ATOM 694 C CB . ASN A 1 89 ? 30.633 16.692 14.523 1.00 26.74 ? 167 ASN A CB 1 ATOM 695 C CG . ASN A 1 89 ? 31.069 17.248 15.864 1.00 27.50 ? 167 ASN A CG 1 ATOM 696 O OD1 . ASN A 1 89 ? 32.107 16.865 16.410 1.00 27.41 ? 167 ASN A OD1 1 ATOM 697 N ND2 . ASN A 1 89 ? 30.269 18.159 16.405 1.00 25.81 ? 167 ASN A ND2 1 ATOM 698 N N . ASP A 1 90 ? 33.889 17.096 12.718 1.00 26.66 ? 168 ASP A N 1 ATOM 699 C CA . ASP A 1 90 ? 34.897 18.108 12.378 1.00 26.64 ? 168 ASP A CA 1 ATOM 700 C C . ASP A 1 90 ? 34.753 18.603 10.935 1.00 26.77 ? 168 ASP A C 1 ATOM 701 O O . ASP A 1 90 ? 35.563 19.404 10.467 1.00 27.03 ? 168 ASP A O 1 ATOM 702 C CB . ASP A 1 90 ? 36.318 17.582 12.641 1.00 26.34 ? 168 ASP A CB 1 ATOM 703 C CG . ASP A 1 90 ? 36.595 16.230 11.969 1.00 26.53 ? 168 ASP A CG 1 ATOM 704 O OD1 . ASP A 1 90 ? 35.733 15.719 11.229 1.00 27.01 ? 168 ASP A OD1 1 ATOM 705 O OD2 . ASP A 1 90 ? 37.693 15.669 12.186 1.00 26.75 ? 168 ASP A OD2 1 ATOM 706 N N . GLY A 1 91 ? 33.724 18.118 10.243 1.00 26.91 ? 169 GLY A N 1 ATOM 707 C CA . GLY A 1 91 ? 33.453 18.497 8.863 1.00 27.15 ? 169 GLY A CA 1 ATOM 708 C C . GLY A 1 91 ? 34.428 17.867 7.890 1.00 27.52 ? 169 GLY A C 1 ATOM 709 O O . GLY A 1 91 ? 34.623 18.375 6.791 1.00 28.26 ? 169 GLY A O 1 ATOM 710 N N . LYS A 1 92 ? 35.069 16.782 8.307 1.00 27.33 ? 170 LYS A N 1 ATOM 711 C CA . LYS A 1 92 ? 35.973 16.039 7.439 1.00 27.49 ? 170 LYS A CA 1 ATOM 712 C C . LYS A 1 92 ? 35.314 14.716 7.096 1.00 27.35 ? 170 LYS A C 1 ATOM 713 O O . LYS A 1 92 ? 34.498 14.215 7.869 1.00 26.80 ? 170 LYS A O 1 ATOM 714 C CB . LYS A 1 92 ? 37.326 15.807 8.118 1.00 27.48 ? 170 LYS A CB 1 ATOM 715 C CG . LYS A 1 92 ? 38.173 17.066 8.228 1.00 29.05 ? 170 LYS A CG 1 ATOM 716 C CD . LYS A 1 92 ? 39.465 16.802 8.996 1.00 31.96 ? 170 LYS A CD 1 ATOM 717 C CE . LYS A 1 92 ? 40.295 18.063 9.125 1.00 33.26 ? 170 LYS A CE 1 ATOM 718 N NZ . LYS A 1 92 ? 41.656 17.767 9.679 1.00 35.20 ? 170 LYS A NZ 1 ATOM 719 N N . TYR A 1 93 ? 35.659 14.159 5.935 1.00 26.87 ? 171 TYR A N 1 ATOM 720 C CA . TYR A 1 93 ? 35.123 12.872 5.527 1.00 26.91 ? 171 TYR A CA 1 ATOM 721 C C . TYR A 1 93 ? 35.686 11.759 6.423 1.00 26.44 ? 171 TYR A C 1 ATOM 722 O O . TYR A 1 93 ? 36.895 11.685 6.641 1.00 25.64 ? 171 TYR A O 1 ATOM 723 C CB . TYR A 1 93 ? 35.457 12.588 4.054 1.00 27.65 ? 171 TYR A CB 1 ATOM 724 C CG . TYR A 1 93 ? 34.905 11.258 3.560 1.00 28.69 ? 171 TYR A CG 1 ATOM 725 C CD1 . TYR A 1 93 ? 33.551 11.111 3.249 1.00 28.78 ? 171 TYR A CD1 1 ATOM 726 C CD2 . TYR A 1 93 ? 35.739 10.157 3.393 1.00 29.99 ? 171 TYR A CD2 1 ATOM 727 C CE1 . TYR A 1 93 ? 33.041 9.895 2.784 1.00 28.28 ? 171 TYR A CE1 1 ATOM 728 C CE2 . TYR A 1 93 ? 35.237 8.933 2.948 1.00 30.90 ? 171 TYR A CE2 1 ATOM 729 C CZ . TYR A 1 93 ? 33.893 8.814 2.646 1.00 29.35 ? 171 TYR A CZ 1 ATOM 730 O OH . TYR A 1 93 ? 33.412 7.608 2.195 1.00 31.10 ? 171 TYR A OH 1 ATOM 731 N N . HIS A 1 94 ? 34.799 10.915 6.945 1.00 25.90 ? 172 HIS A N 1 ATOM 732 C CA . HIS A 1 94 ? 35.191 9.737 7.717 1.00 25.89 ? 172 HIS A CA 1 ATOM 733 C C . HIS A 1 94 ? 34.414 8.547 7.211 1.00 26.12 ? 172 HIS A C 1 ATOM 734 O O . HIS A 1 94 ? 33.353 8.705 6.602 1.00 25.62 ? 172 HIS A O 1 ATOM 735 C CB . HIS A 1 94 ? 34.843 9.895 9.212 1.00 26.15 ? 172 HIS A CB 1 ATOM 736 C CG . HIS A 1 94 ? 35.431 11.114 9.848 1.00 26.16 ? 172 HIS A CG 1 ATOM 737 N ND1 . HIS A 1 94 ? 36.775 11.230 10.129 1.00 27.65 ? 172 HIS A ND1 1 ATOM 738 C CD2 . HIS A 1 94 ? 34.856 12.267 10.264 1.00 25.70 ? 172 HIS A CD2 1 ATOM 739 C CE1 . HIS A 1 94 ? 37.004 12.408 10.683 1.00 26.55 ? 172 HIS A CE1 1 ATOM 740 N NE2 . HIS A 1 94 ? 35.857 13.057 10.774 1.00 25.89 ? 172 HIS A NE2 1 ATOM 741 N N . VAL A 1 95 ? 34.928 7.355 7.496 1.00 26.14 ? 173 VAL A N 1 ATOM 742 C CA . VAL A 1 95 ? 34.155 6.137 7.331 1.00 26.61 ? 173 VAL A CA 1 ATOM 743 C C . VAL A 1 95 ? 33.936 5.518 8.708 1.00 26.71 ? 173 VAL A C 1 ATOM 744 O O . VAL A 1 95 ? 34.870 5.401 9.503 1.00 26.81 ? 173 VAL A O 1 ATOM 745 C CB . VAL A 1 95 ? 34.852 5.132 6.366 1.00 26.64 ? 173 VAL A CB 1 ATOM 746 C CG1 . VAL A 1 95 ? 34.034 3.836 6.226 1.00 26.96 ? 173 VAL A CG1 1 ATOM 747 C CG2 . VAL A 1 95 ? 35.031 5.774 4.995 1.00 27.66 ? 173 VAL A CG2 1 ATOM 748 N N . VAL A 1 96 ? 32.693 5.132 8.978 1.00 26.75 ? 174 VAL A N 1 ATOM 749 C CA . VAL A 1 96 ? 32.360 4.425 10.198 1.00 26.77 ? 174 VAL A CA 1 ATOM 750 C C . VAL A 1 96 ? 31.938 3.009 9.807 1.00 27.23 ? 174 VAL A C 1 ATOM 751 O O . VAL A 1 96 ? 31.190 2.822 8.844 1.00 27.28 ? 174 VAL A O 1 ATOM 752 C CB . VAL A 1 96 ? 31.283 5.176 11.051 1.00 27.04 ? 174 VAL A CB 1 ATOM 753 C CG1 . VAL A 1 96 ? 29.948 5.355 10.275 1.00 25.98 ? 174 VAL A CG1 1 ATOM 754 C CG2 . VAL A 1 96 ? 31.047 4.457 12.368 1.00 26.06 ? 174 VAL A CG2 1 ATOM 755 N N . ARG A 1 97 ? 32.476 2.030 10.529 1.00 27.50 ? 175 ARG A N 1 ATOM 756 C CA A ARG A 1 97 ? 32.217 0.607 10.291 0.47 27.88 ? 175 ARG A CA 1 ATOM 757 C CA B ARG A 1 97 ? 32.201 0.621 10.274 0.53 27.98 ? 175 ARG A CA 1 ATOM 758 C C . ARG A 1 97 ? 31.737 -0.059 11.555 1.00 27.81 ? 175 ARG A C 1 ATOM 759 O O . ARG A 1 97 ? 32.366 0.089 12.612 1.00 28.12 ? 175 ARG A O 1 ATOM 760 C CB A ARG A 1 97 ? 33.493 -0.107 9.866 0.47 27.82 ? 175 ARG A CB 1 ATOM 761 C CB B ARG A 1 97 ? 33.451 -0.071 9.715 0.53 27.81 ? 175 ARG A CB 1 ATOM 762 C CG A ARG A 1 97 ? 33.704 -0.186 8.395 0.47 29.21 ? 175 ARG A CG 1 ATOM 763 C CG B ARG A 1 97 ? 34.046 0.630 8.494 0.53 28.93 ? 175 ARG A CG 1 ATOM 764 C CD A ARG A 1 97 ? 35.028 -0.875 8.123 0.47 29.20 ? 175 ARG A CD 1 ATOM 765 C CD B ARG A 1 97 ? 35.366 0.006 8.064 0.53 28.69 ? 175 ARG A CD 1 ATOM 766 N NE A ARG A 1 97 ? 35.795 -0.096 7.166 0.47 30.70 ? 175 ARG A NE 1 ATOM 767 N NE B ARG A 1 97 ? 35.890 0.643 6.853 0.53 31.13 ? 175 ARG A NE 1 ATOM 768 C CZ A ARG A 1 97 ? 36.654 0.870 7.492 0.47 30.63 ? 175 ARG A CZ 1 ATOM 769 C CZ B ARG A 1 97 ? 35.588 0.260 5.616 0.53 29.77 ? 175 ARG A CZ 1 ATOM 770 N NH1 A ARG A 1 97 ? 36.883 1.187 8.771 0.47 28.97 ? 175 ARG A NH1 1 ATOM 771 N NH1 B ARG A 1 97 ? 34.762 -0.757 5.424 0.53 30.31 ? 175 ARG A NH1 1 ATOM 772 N NH2 A ARG A 1 97 ? 37.284 1.517 6.528 0.47 29.55 ? 175 ARG A NH2 1 ATOM 773 N NH2 B ARG A 1 97 ? 36.110 0.893 4.578 0.53 29.72 ? 175 ARG A NH2 1 ATOM 774 N N . PHE A 1 98 ? 30.638 -0.801 11.447 1.00 27.73 ? 176 PHE A N 1 ATOM 775 C CA . PHE A 1 98 ? 30.033 -1.495 12.588 1.00 27.67 ? 176 PHE A CA 1 ATOM 776 C C . PHE A 1 98 ? 29.764 -2.948 12.218 1.00 27.30 ? 176 PHE A C 1 ATOM 777 O O . PHE A 1 98 ? 29.336 -3.233 11.092 1.00 26.93 ? 176 PHE A O 1 ATOM 778 C CB . PHE A 1 98 ? 28.732 -0.785 12.995 1.00 27.63 ? 176 PHE A CB 1 ATOM 779 C CG . PHE A 1 98 ? 27.861 -1.561 13.974 1.00 27.70 ? 176 PHE A CG 1 ATOM 780 C CD1 . PHE A 1 98 ? 28.097 -1.493 15.341 1.00 28.52 ? 176 PHE A CD1 1 ATOM 781 C CD2 . PHE A 1 98 ? 26.788 -2.328 13.520 1.00 28.31 ? 176 PHE A CD2 1 ATOM 782 C CE1 . PHE A 1 98 ? 27.291 -2.191 16.244 1.00 28.80 ? 176 PHE A CE1 1 ATOM 783 C CE2 . PHE A 1 98 ? 25.976 -3.025 14.410 1.00 28.22 ? 176 PHE A CE2 1 ATOM 784 C CZ . PHE A 1 98 ? 26.230 -2.959 15.778 1.00 27.82 ? 176 PHE A CZ 1 ATOM 785 N N . THR A 1 99 ? 30.031 -3.857 13.159 1.00 27.31 ? 177 THR A N 1 ATOM 786 C CA . THR A 1 99 ? 29.564 -5.247 13.051 1.00 26.70 ? 177 THR A CA 1 ATOM 787 C C . THR A 1 99 ? 28.833 -5.645 14.319 1.00 27.07 ? 177 THR A C 1 ATOM 788 O O . THR A 1 99 ? 29.084 -5.092 15.407 1.00 26.50 ? 177 THR A O 1 ATOM 789 C CB . THR A 1 99 ? 30.688 -6.303 12.763 1.00 27.06 ? 177 THR A CB 1 ATOM 790 O OG1 . THR A 1 99 ? 31.483 -6.538 13.937 1.00 27.07 ? 177 THR A OG1 1 ATOM 791 C CG2 . THR A 1 99 ? 31.576 -5.892 11.595 1.00 26.04 ? 177 THR A CG2 1 ATOM 792 N N . ARG A 1 100 ? 27.911 -6.588 14.156 1.00 26.44 ? 178 ARG A N 1 ATOM 793 C CA . ARG A 1 100 ? 27.171 -7.175 15.261 1.00 26.63 ? 178 ARG A CA 1 ATOM 794 C C . ARG A 1 100 ? 27.187 -8.681 15.071 1.00 26.41 ? 178 ARG A C 1 ATOM 795 O O . ARG A 1 100 ? 27.037 -9.156 13.955 1.00 26.37 ? 178 ARG A O 1 ATOM 796 C CB . ARG A 1 100 ? 25.724 -6.684 15.270 1.00 26.14 ? 178 ARG A CB 1 ATOM 797 C CG . ARG A 1 100 ? 24.926 -7.193 16.462 1.00 25.49 ? 178 ARG A CG 1 ATOM 798 C CD . ARG A 1 100 ? 23.443 -6.940 16.308 1.00 26.07 ? 178 ARG A CD 1 ATOM 799 N NE . ARG A 1 100 ? 22.848 -7.711 15.215 1.00 27.06 ? 178 ARG A NE 1 ATOM 800 C CZ . ARG A 1 100 ? 22.371 -8.947 15.328 1.00 27.58 ? 178 ARG A CZ 1 ATOM 801 N NH1 . ARG A 1 100 ? 22.433 -9.600 16.490 1.00 27.29 ? 178 ARG A NH1 1 ATOM 802 N NH2 . ARG A 1 100 ? 21.842 -9.542 14.268 1.00 26.97 ? 178 ARG A NH2 1 ATOM 803 N N . ASN A 1 101 ? 27.407 -9.414 16.160 1.00 26.51 ? 179 ASN A N 1 ATOM 804 C CA . ASN A 1 101 ? 27.312 -10.870 16.172 1.00 26.98 ? 179 ASN A CA 1 ATOM 805 C C . ASN A 1 101 ? 26.570 -11.223 17.439 1.00 26.71 ? 179 ASN A C 1 ATOM 806 O O . ASN A 1 101 ? 27.154 -11.190 18.516 1.00 26.31 ? 179 ASN A O 1 ATOM 807 C CB . ASN A 1 101 ? 28.693 -11.522 16.201 1.00 27.20 ? 179 ASN A CB 1 ATOM 808 C CG . ASN A 1 101 ? 29.394 -11.473 14.863 1.00 29.49 ? 179 ASN A CG 1 ATOM 809 O OD1 . ASN A 1 101 ? 29.276 -12.401 14.062 1.00 31.31 ? 179 ASN A OD1 1 ATOM 810 N ND2 . ASN A 1 101 ? 30.135 -10.396 14.614 1.00 28.83 ? 179 ASN A ND2 1 ATOM 811 N N . GLY A 1 102 ? 25.284 -11.530 17.307 1.00 26.37 ? 180 GLY A N 1 ATOM 812 C CA . GLY A 1 102 ? 24.388 -11.601 18.462 1.00 26.72 ? 180 GLY A CA 1 ATOM 813 C C . GLY A 1 102 ? 24.335 -10.298 19.246 1.00 27.09 ? 180 GLY A C 1 ATOM 814 O O . GLY A 1 102 ? 23.939 -9.260 18.714 1.00 26.65 ? 180 GLY A O 1 ATOM 815 N N . ALA A 1 103 ? 24.728 -10.356 20.520 1.00 27.43 ? 181 ALA A N 1 ATOM 816 C CA . ALA A 1 103 ? 24.791 -9.158 21.368 1.00 27.34 ? 181 ALA A CA 1 ATOM 817 C C . ALA A 1 103 ? 26.154 -8.444 21.308 1.00 27.49 ? 181 ALA A C 1 ATOM 818 O O . ALA A 1 103 ? 26.301 -7.338 21.839 1.00 27.74 ? 181 ALA A O 1 ATOM 819 C CB . ALA A 1 103 ? 24.443 -9.513 22.809 1.00 27.33 ? 181 ALA A CB 1 ATOM 820 N N . ASN A 1 104 ? 27.139 -9.078 20.668 1.00 27.30 ? 182 ASN A N 1 ATOM 821 C CA . ASN A 1 104 ? 28.490 -8.530 20.552 1.00 26.86 ? 182 ASN A CA 1 ATOM 822 C C . ASN A 1 104 ? 28.580 -7.539 19.410 1.00 26.78 ? 182 ASN A C 1 ATOM 823 O O . ASN A 1 104 ? 27.878 -7.678 18.401 1.00 26.00 ? 182 ASN A O 1 ATOM 824 C CB . ASN A 1 104 ? 29.527 -9.621 20.277 1.00 27.27 ? 182 ASN A CB 1 ATOM 825 C CG . ASN A 1 104 ? 29.508 -10.744 21.296 1.00 28.81 ? 182 ASN A CG 1 ATOM 826 O OD1 . ASN A 1 104 ? 29.181 -10.549 22.476 1.00 27.91 ? 182 ASN A OD1 1 ATOM 827 N ND2 . ASN A 1 104 ? 29.883 -11.939 20.836 1.00 30.57 ? 182 ASN A ND2 1 ATOM 828 N N . ALA A 1 105 ? 29.482 -6.571 19.536 1.00 26.08 ? 183 ALA A N 1 ATOM 829 C CA . ALA A 1 105 ? 29.636 -5.577 18.469 1.00 26.48 ? 183 ALA A CA 1 ATOM 830 C C . ALA A 1 105 ? 31.042 -5.025 18.364 1.00 26.53 ? 183 ALA A C 1 ATOM 831 O O . ALA A 1 105 ? 31.837 -5.136 19.307 1.00 26.96 ? 183 ALA A O 1 ATOM 832 C CB . ALA A 1 105 ? 28.627 -4.439 18.649 1.00 26.34 ? 183 ALA A CB 1 ATOM 833 N N . THR A 1 106 ? 31.340 -4.435 17.203 1.00 26.62 ? 184 THR A N 1 ATOM 834 C CA . THR A 1 106 ? 32.576 -3.707 16.994 1.00 26.77 ? 184 THR A CA 1 ATOM 835 C C . THR A 1 106 ? 32.239 -2.397 16.314 1.00 26.61 ? 184 THR A C 1 ATOM 836 O O . THR A 1 106 ? 31.218 -2.284 15.634 1.00 26.69 ? 184 THR A O 1 ATOM 837 C CB . THR A 1 106 ? 33.613 -4.474 16.114 1.00 26.48 ? 184 THR A CB 1 ATOM 838 O OG1 . THR A 1 106 ? 33.106 -4.627 14.777 1.00 27.76 ? 184 THR A OG1 1 ATOM 839 C CG2 . THR A 1 106 ? 33.973 -5.851 16.715 1.00 27.25 ? 184 THR A CG2 1 ATOM 840 N N . LEU A 1 107 ? 33.109 -1.415 16.478 1.00 26.41 ? 185 LEU A N 1 ATOM 841 C CA . LEU A 1 107 ? 32.918 -0.125 15.832 1.00 26.93 ? 185 LEU A CA 1 ATOM 842 C C . LEU A 1 107 ? 34.265 0.508 15.585 1.00 26.48 ? 185 LEU A C 1 ATOM 843 O O . LEU A 1 107 ? 35.078 0.658 16.501 1.00 26.79 ? 185 LEU A O 1 ATOM 844 C CB . LEU A 1 107 ? 32.030 0.794 16.697 1.00 26.93 ? 185 LEU A CB 1 ATOM 845 C CG . LEU A 1 107 ? 31.685 2.200 16.191 1.00 28.49 ? 185 LEU A CG 1 ATOM 846 C CD1 . LEU A 1 107 ? 30.546 2.157 15.181 1.00 30.23 ? 185 LEU A CD1 1 ATOM 847 C CD2 . LEU A 1 107 ? 31.296 3.086 17.346 1.00 28.77 ? 185 LEU A CD2 1 ATOM 848 N N . GLN A 1 108 ? 34.507 0.887 14.341 1.00 26.19 ? 186 GLN A N 1 ATOM 849 C CA . GLN A 1 108 ? 35.725 1.594 13.992 1.00 25.58 ? 186 GLN A CA 1 ATOM 850 C C . GLN A 1 108 ? 35.362 2.816 13.174 1.00 25.76 ? 186 GLN A C 1 ATOM 851 O O . GLN A 1 108 ? 34.471 2.755 12.318 1.00 26.41 ? 186 GLN A O 1 ATOM 852 C CB . GLN A 1 108 ? 36.680 0.693 13.196 1.00 25.46 ? 186 GLN A CB 1 ATOM 853 C CG . GLN A 1 108 ? 38.015 1.384 12.828 1.00 25.53 ? 186 GLN A CG 1 ATOM 854 C CD . GLN A 1 108 ? 39.002 0.483 12.086 1.00 26.07 ? 186 GLN A CD 1 ATOM 855 O OE1 . GLN A 1 108 ? 38.647 -0.179 11.116 1.00 27.74 ? 186 GLN A OE1 1 ATOM 856 N NE2 . GLN A 1 108 ? 40.258 0.483 12.530 1.00 23.90 ? 186 GLN A NE2 1 ATOM 857 N N . VAL A 1 109 ? 36.048 3.920 13.453 1.00 25.40 ? 187 VAL A N 1 ATOM 858 C CA . VAL A 1 109 ? 36.078 5.075 12.564 1.00 24.99 ? 187 VAL A CA 1 ATOM 859 C C . VAL A 1 109 ? 37.431 5.105 11.860 1.00 24.68 ? 187 VAL A C 1 ATOM 860 O O . VAL A 1 109 ? 38.463 4.957 12.499 1.00 24.55 ? 187 VAL A O 1 ATOM 861 C CB . VAL A 1 109 ? 35.865 6.398 13.332 1.00 24.96 ? 187 VAL A CB 1 ATOM 862 C CG1 . VAL A 1 109 ? 36.088 7.609 12.413 1.00 24.29 ? 187 VAL A CG1 1 ATOM 863 C CG2 . VAL A 1 109 ? 34.469 6.439 13.968 1.00 24.14 ? 187 VAL A CG2 1 ATOM 864 N N . ASP A 1 110 ? 37.416 5.289 10.543 1.00 24.61 ? 188 ASP A N 1 ATOM 865 C CA . ASP A 1 110 ? 38.639 5.368 9.745 1.00 24.25 ? 188 ASP A CA 1 ATOM 866 C C . ASP A 1 110 ? 39.589 4.207 10.090 1.00 23.96 ? 188 ASP A C 1 ATOM 867 O O . ASP A 1 110 ? 39.191 3.053 10.011 1.00 23.75 ? 188 ASP A O 1 ATOM 868 C CB . ASP A 1 110 ? 39.297 6.747 9.937 1.00 24.23 ? 188 ASP A CB 1 ATOM 869 C CG . ASP A 1 110 ? 38.393 7.893 9.469 1.00 25.97 ? 188 ASP A CG 1 ATOM 870 O OD1 . ASP A 1 110 ? 37.491 7.642 8.626 1.00 25.17 ? 188 ASP A OD1 1 ATOM 871 O OD2 . ASP A 1 110 ? 38.590 9.045 9.925 1.00 26.75 ? 188 ASP A OD2 1 ATOM 872 N N . ASN A 1 111 ? 40.818 4.514 10.492 1.00 23.63 ? 189 ASN A N 1 ATOM 873 C CA . ASN A 1 111 ? 41.782 3.492 10.899 1.00 23.68 ? 189 ASN A CA 1 ATOM 874 C C . ASN A 1 111 ? 42.091 3.550 12.409 1.00 23.85 ? 189 ASN A C 1 ATOM 875 O O . ASN A 1 111 ? 43.118 3.041 12.871 1.00 23.71 ? 189 ASN A O 1 ATOM 876 C CB . ASN A 1 111 ? 43.073 3.618 10.063 1.00 24.02 ? 189 ASN A CB 1 ATOM 877 C CG . ASN A 1 111 ? 43.833 4.897 10.356 1.00 23.97 ? 189 ASN A CG 1 ATOM 878 O OD1 . ASN A 1 111 ? 43.253 5.870 10.831 1.00 25.58 ? 189 ASN A OD1 1 ATOM 879 N ND2 . ASN A 1 111 ? 45.133 4.903 10.073 1.00 23.99 ? 189 ASN A ND2 1 ATOM 880 N N . TRP A 1 112 ? 41.187 4.155 13.176 1.00 24.06 ? 190 TRP A N 1 ATOM 881 C CA . TRP A 1 112 ? 41.404 4.352 14.613 1.00 24.04 ? 190 TRP A CA 1 ATOM 882 C C . TRP A 1 112 ? 41.298 3.021 15.351 1.00 24.19 ? 190 TRP A C 1 ATOM 883 O O . TRP A 1 112 ? 40.680 2.081 14.834 1.00 23.71 ? 190 TRP A O 1 ATOM 884 C CB . TRP A 1 112 ? 40.395 5.371 15.192 1.00 23.97 ? 190 TRP A CB 1 ATOM 885 C CG . TRP A 1 112 ? 40.337 6.711 14.472 1.00 23.67 ? 190 TRP A CG 1 ATOM 886 C CD1 . TRP A 1 112 ? 41.204 7.179 13.511 1.00 23.79 ? 190 TRP A CD1 1 ATOM 887 C CD2 . TRP A 1 112 ? 39.385 7.761 14.693 1.00 23.11 ? 190 TRP A CD2 1 ATOM 888 N NE1 . TRP A 1 112 ? 40.827 8.437 13.108 1.00 24.12 ? 190 TRP A NE1 1 ATOM 889 C CE2 . TRP A 1 112 ? 39.710 8.816 13.809 1.00 24.57 ? 190 TRP A CE2 1 ATOM 890 C CE3 . TRP A 1 112 ? 38.282 7.911 15.550 1.00 25.42 ? 190 TRP A CE3 1 ATOM 891 C CZ2 . TRP A 1 112 ? 38.971 10.016 13.754 1.00 24.21 ? 190 TRP A CZ2 1 ATOM 892 C CZ3 . TRP A 1 112 ? 37.538 9.110 15.490 1.00 24.71 ? 190 TRP A CZ3 1 ATOM 893 C CH2 . TRP A 1 112 ? 37.896 10.141 14.600 1.00 24.14 ? 190 TRP A CH2 1 ATOM 894 N N . PRO A 1 113 ? 41.868 2.936 16.575 1.00 24.36 ? 191 PRO A N 1 ATOM 895 C CA . PRO A 1 113 ? 41.714 1.697 17.330 1.00 24.78 ? 191 PRO A CA 1 ATOM 896 C C . PRO A 1 113 ? 40.249 1.254 17.356 1.00 25.26 ? 191 PRO A C 1 ATOM 897 O O . PRO A 1 113 ? 39.339 2.084 17.467 1.00 25.28 ? 191 PRO A O 1 ATOM 898 C CB . PRO A 1 113 ? 42.200 2.080 18.727 1.00 24.93 ? 191 PRO A CB 1 ATOM 899 C CG . PRO A 1 113 ? 43.225 3.132 18.461 1.00 24.78 ? 191 PRO A CG 1 ATOM 900 C CD . PRO A 1 113 ? 42.650 3.937 17.326 1.00 24.24 ? 191 PRO A CD 1 ATOM 901 N N . VAL A 1 114 ? 40.035 -0.046 17.211 1.00 25.96 ? 192 VAL A N 1 ATOM 902 C CA . VAL A 1 114 ? 38.698 -0.600 17.120 1.00 26.48 ? 192 VAL A CA 1 ATOM 903 C C . VAL A 1 114 ? 38.046 -0.659 18.497 1.00 26.66 ? 192 VAL A C 1 ATOM 904 O O . VAL A 1 114 ? 38.684 -1.039 19.478 1.00 26.33 ? 192 VAL A O 1 ATOM 905 C CB . VAL A 1 114 ? 38.726 -2.018 16.486 1.00 26.72 ? 192 VAL A CB 1 ATOM 906 C CG1 . VAL A 1 114 ? 37.314 -2.616 16.404 1.00 26.91 ? 192 VAL A CG1 1 ATOM 907 C CG2 . VAL A 1 114 ? 39.347 -1.954 15.110 1.00 26.71 ? 192 VAL A CG2 1 ATOM 908 N N . ASN A 1 115 ? 36.777 -0.264 18.556 1.00 26.80 ? 193 ASN A N 1 ATOM 909 C CA . ASN A 1 115 ? 35.959 -0.448 19.750 1.00 27.63 ? 193 ASN A CA 1 ATOM 910 C C . ASN A 1 115 ? 35.298 -1.822 19.708 1.00 28.34 ? 193 ASN A C 1 ATOM 911 O O . ASN A 1 115 ? 34.768 -2.226 18.670 1.00 28.36 ? 193 ASN A O 1 ATOM 912 C CB . ASN A 1 115 ? 34.893 0.654 19.824 1.00 27.08 ? 193 ASN A CB 1 ATOM 913 C CG . ASN A 1 115 ? 35.500 2.047 19.841 1.00 27.10 ? 193 ASN A CG 1 ATOM 914 O OD1 . ASN A 1 115 ? 36.007 2.493 20.870 1.00 24.36 ? 193 ASN A OD1 1 ATOM 915 N ND2 . ASN A 1 115 ? 35.468 2.734 18.694 1.00 24.77 ? 193 ASN A ND2 1 ATOM 916 N N . GLU A 1 116 ? 35.325 -2.533 20.827 1.00 29.18 ? 194 GLU A N 1 ATOM 917 C CA . GLU A 1 116 ? 34.655 -3.831 20.926 1.00 31.05 ? 194 GLU A CA 1 ATOM 918 C C . GLU A 1 116 ? 33.825 -3.931 22.203 1.00 30.82 ? 194 GLU A C 1 ATOM 919 O O . GLU A 1 116 ? 34.208 -3.400 23.247 1.00 31.20 ? 194 GLU A O 1 ATOM 920 C CB . GLU A 1 116 ? 35.670 -4.978 20.839 1.00 30.86 ? 194 GLU A CB 1 ATOM 921 C CG . GLU A 1 116 ? 36.621 -5.078 22.025 1.00 33.21 ? 194 GLU A CG 1 ATOM 922 C CD . GLU A 1 116 ? 37.697 -6.139 21.848 1.00 33.82 ? 194 GLU A CD 1 ATOM 923 O OE1 . GLU A 1 116 ? 37.958 -6.536 20.689 1.00 36.28 ? 194 GLU A OE1 1 ATOM 924 O OE2 . GLU A 1 116 ? 38.288 -6.569 22.874 1.00 37.83 ? 194 GLU A OE2 1 ATOM 925 N N . HIS A 1 117 ? 32.688 -4.612 22.110 1.00 30.96 ? 195 HIS A N 1 ATOM 926 C CA . HIS A 1 117 ? 31.793 -4.781 23.244 1.00 31.42 ? 195 HIS A CA 1 ATOM 927 C C . HIS A 1 117 ? 31.239 -6.204 23.269 1.00 31.18 ? 195 HIS A C 1 ATOM 928 O O . HIS A 1 117 ? 30.657 -6.668 22.293 1.00 30.34 ? 195 HIS A O 1 ATOM 929 C CB . HIS A 1 117 ? 30.664 -3.736 23.196 1.00 32.05 ? 195 HIS A CB 1 ATOM 930 C CG . HIS A 1 117 ? 29.798 -3.718 24.418 1.00 33.91 ? 195 HIS A CG 1 ATOM 931 N ND1 . HIS A 1 117 ? 30.306 -3.826 25.696 1.00 35.80 ? 195 HIS A ND1 1 ATOM 932 C CD2 . HIS A 1 117 ? 28.456 -3.591 24.557 1.00 34.76 ? 195 HIS A CD2 1 ATOM 933 C CE1 . HIS A 1 117 ? 29.314 -3.777 26.568 1.00 36.47 ? 195 HIS A CE1 1 ATOM 934 N NE2 . HIS A 1 117 ? 28.182 -3.634 25.902 1.00 36.40 ? 195 HIS A NE2 1 ATOM 935 N N . TYR A 1 118 ? 31.457 -6.898 24.383 1.00 31.06 ? 196 TYR A N 1 ATOM 936 C CA . TYR A 1 118 ? 30.972 -8.258 24.569 1.00 31.50 ? 196 TYR A CA 1 ATOM 937 C C . TYR A 1 118 ? 30.152 -8.367 25.855 1.00 31.57 ? 196 TYR A C 1 ATOM 938 O O . TYR A 1 118 ? 30.711 -8.645 26.917 1.00 31.43 ? 196 TYR A O 1 ATOM 939 C CB . TYR A 1 118 ? 32.141 -9.233 24.658 1.00 32.39 ? 196 TYR A CB 1 ATOM 940 C CG . TYR A 1 118 ? 33.041 -9.260 23.454 1.00 32.52 ? 196 TYR A CG 1 ATOM 941 C CD1 . TYR A 1 118 ? 34.169 -8.437 23.385 1.00 32.55 ? 196 TYR A CD1 1 ATOM 942 C CD2 . TYR A 1 118 ? 32.791 -10.135 22.397 1.00 33.26 ? 196 TYR A CD2 1 ATOM 943 C CE1 . TYR A 1 118 ? 35.019 -8.472 22.282 1.00 32.57 ? 196 TYR A CE1 1 ATOM 944 C CE2 . TYR A 1 118 ? 33.630 -10.174 21.283 1.00 33.79 ? 196 TYR A CE2 1 ATOM 945 C CZ . TYR A 1 118 ? 34.742 -9.342 21.242 1.00 33.76 ? 196 TYR A CZ 1 ATOM 946 O OH . TYR A 1 118 ? 35.574 -9.379 20.154 1.00 35.62 ? 196 TYR A OH 1 ATOM 947 N N . PRO A 1 119 ? 28.821 -8.155 25.767 1.00 31.44 ? 197 PRO A N 1 ATOM 948 C CA . PRO A 1 119 ? 27.970 -8.273 26.953 1.00 31.26 ? 197 PRO A CA 1 ATOM 949 C C . PRO A 1 119 ? 28.102 -9.650 27.602 1.00 31.08 ? 197 PRO A C 1 ATOM 950 O O . PRO A 1 119 ? 28.277 -10.654 26.908 1.00 30.97 ? 197 PRO A O 1 ATOM 951 C CB . PRO A 1 119 ? 26.558 -8.059 26.394 1.00 31.45 ? 197 PRO A CB 1 ATOM 952 C CG . PRO A 1 119 ? 26.765 -7.241 25.158 1.00 31.13 ? 197 PRO A CG 1 ATOM 953 C CD . PRO A 1 119 ? 28.041 -7.793 24.570 1.00 31.26 ? 197 PRO A CD 1 ATOM 954 N N . THR A 1 120 ? 28.041 -9.681 28.930 1.00 31.10 ? 198 THR A N 1 ATOM 955 C CA . THR A 1 120 ? 28.227 -10.909 29.687 1.00 30.91 ? 198 THR A CA 1 ATOM 956 C C . THR A 1 120 ? 26.890 -11.609 29.927 1.00 30.57 ? 198 THR A C 1 ATOM 957 O O . THR A 1 120 ? 25.826 -10.986 29.837 1.00 30.68 ? 198 THR A O 1 ATOM 958 C CB . THR A 1 120 ? 28.936 -10.639 31.054 1.00 31.14 ? 198 THR A CB 1 ATOM 959 O OG1 . THR A 1 120 ? 28.219 -9.632 31.776 1.00 31.17 ? 198 THR A OG1 1 ATOM 960 C CG2 . THR A 1 120 ? 30.371 -10.159 30.840 1.00 31.56 ? 198 THR A CG2 1 ATOM 961 N N . GLY A 1 121 ? 26.959 -12.905 30.221 1.00 29.90 ? 199 GLY A N 1 ATOM 962 C CA . GLY A 1 121 ? 25.782 -13.697 30.568 1.00 29.42 ? 199 GLY A CA 1 ATOM 963 C C . GLY A 1 121 ? 24.951 -14.083 29.361 1.00 28.91 ? 199 GLY A C 1 ATOM 964 O O . GLY A 1 121 ? 25.376 -13.915 28.215 1.00 28.73 ? 199 GLY A O 1 ATOM 965 N N . ARG A 1 122 ? 23.757 -14.602 29.629 1.00 28.28 ? 200 ARG A N 1 ATOM 966 C CA . ARG A 1 122 ? 22.876 -15.107 28.580 1.00 27.59 ? 200 ARG A CA 1 ATOM 967 C C . ARG A 1 122 ? 22.358 -13.960 27.725 1.00 26.87 ? 200 ARG A C 1 ATOM 968 O O . ARG A 1 122 ? 21.950 -12.921 28.246 1.00 26.32 ? 200 ARG A O 1 ATOM 969 C CB . ARG A 1 122 ? 21.716 -15.901 29.189 1.00 27.63 ? 200 ARG A CB 1 ATOM 970 C CG . ARG A 1 122 ? 22.126 -17.244 29.793 1.00 28.30 ? 200 ARG A CG 1 ATOM 971 C CD . ARG A 1 122 ? 21.006 -17.819 30.655 1.00 28.97 ? 200 ARG A CD 1 ATOM 972 N NE . ARG A 1 122 ? 19.782 -18.012 29.877 1.00 30.78 ? 200 ARG A NE 1 ATOM 973 C CZ . ARG A 1 122 ? 18.548 -17.926 30.370 1.00 31.80 ? 200 ARG A CZ 1 ATOM 974 N NH1 . ARG A 1 122 ? 18.348 -17.631 31.651 1.00 31.06 ? 200 ARG A NH1 1 ATOM 975 N NH2 . ARG A 1 122 ? 17.508 -18.121 29.572 1.00 32.06 ? 200 ARG A NH2 1 ATOM 976 N N . GLN A 1 123 ? 22.417 -14.147 26.410 1.00 26.33 ? 201 GLN A N 1 ATOM 977 C CA . GLN A 1 123 ? 22.006 -13.128 25.451 1.00 26.33 ? 201 GLN A CA 1 ATOM 978 C C . GLN A 1 123 ? 21.113 -13.753 24.376 1.00 26.39 ? 201 GLN A C 1 ATOM 979 O O . GLN A 1 123 ? 21.154 -14.971 24.153 1.00 26.05 ? 201 GLN A O 1 ATOM 980 C CB . GLN A 1 123 ? 23.243 -12.512 24.769 1.00 26.73 ? 201 GLN A CB 1 ATOM 981 C CG . GLN A 1 123 ? 24.226 -11.786 25.708 1.00 26.84 ? 201 GLN A CG 1 ATOM 982 C CD . GLN A 1 123 ? 23.626 -10.526 26.316 1.00 28.29 ? 201 GLN A CD 1 ATOM 983 O OE1 . GLN A 1 123 ? 22.784 -9.868 25.705 1.00 28.36 ? 201 GLN A OE1 1 ATOM 984 N NE2 . GLN A 1 123 ? 24.046 -10.198 27.536 1.00 29.84 ? 201 GLN A NE2 1 ATOM 985 N N . LEU A 1 124 ? 20.305 -12.921 23.723 1.00 26.12 ? 202 LEU A N 1 ATOM 986 C CA . LEU A 1 124 ? 19.634 -13.318 22.480 1.00 26.24 ? 202 LEU A CA 1 ATOM 987 C C . LEU A 1 124 ? 20.613 -13.110 21.320 1.00 26.58 ? 202 LEU A C 1 ATOM 988 O O . LEU A 1 124 ? 21.734 -12.625 21.537 1.00 26.27 ? 202 LEU A O 1 ATOM 989 C CB . LEU A 1 124 ? 18.319 -12.543 22.286 1.00 25.64 ? 202 LEU A CB 1 ATOM 990 C CG . LEU A 1 124 ? 17.237 -12.803 23.357 1.00 25.09 ? 202 LEU A CG 1 ATOM 991 C CD1 . LEU A 1 124 ? 16.032 -11.919 23.108 1.00 24.48 ? 202 LEU A CD1 1 ATOM 992 C CD2 . LEU A 1 124 ? 16.823 -14.274 23.421 1.00 24.69 ? 202 LEU A CD2 1 ATOM 993 N N . THR A 1 125 ? 20.219 -13.490 20.100 1.00 26.90 ? 203 THR A N 1 ATOM 994 C CA A THR A 1 125 ? 21.119 -13.432 18.947 0.48 26.80 ? 203 THR A CA 1 ATOM 995 C CA B THR A 1 125 ? 21.127 -13.378 18.953 0.52 26.80 ? 203 THR A CA 1 ATOM 996 C C . THR A 1 125 ? 20.497 -12.750 17.717 1.00 26.62 ? 203 THR A C 1 ATOM 997 O O . THR A 1 125 ? 21.183 -12.062 16.960 1.00 27.09 ? 203 THR A O 1 ATOM 998 C CB A THR A 1 125 ? 21.613 -14.856 18.570 0.48 26.94 ? 203 THR A CB 1 ATOM 999 C CB B THR A 1 125 ? 21.779 -14.731 18.554 0.52 27.00 ? 203 THR A CB 1 ATOM 1000 O OG1 A THR A 1 125 ? 21.963 -15.577 19.759 0.48 27.53 ? 203 THR A OG1 1 ATOM 1001 O OG1 B THR A 1 125 ? 20.765 -15.717 18.330 0.52 27.07 ? 203 THR A OG1 1 ATOM 1002 C CG2 A THR A 1 125 ? 22.828 -14.799 17.645 0.48 26.64 ? 203 THR A CG2 1 ATOM 1003 C CG2 B THR A 1 125 ? 22.760 -15.215 19.624 0.52 27.10 ? 203 THR A CG2 1 ATOM 1004 N N . ILE A 1 126 ? 19.198 -12.961 17.520 1.00 26.37 ? 204 ILE A N 1 ATOM 1005 C CA . ILE A 1 126 ? 18.542 -12.581 16.263 1.00 26.41 ? 204 ILE A CA 1 ATOM 1006 C C . ILE A 1 126 ? 17.924 -11.186 16.261 1.00 26.99 ? 204 ILE A C 1 ATOM 1007 O O . ILE A 1 126 ? 17.172 -10.833 17.177 1.00 27.01 ? 204 ILE A O 1 ATOM 1008 C CB . ILE A 1 126 ? 17.512 -13.678 15.796 1.00 26.37 ? 204 ILE A CB 1 ATOM 1009 C CG1 . ILE A 1 126 ? 18.242 -14.987 15.481 1.00 25.63 ? 204 ILE A CG1 1 ATOM 1010 C CG2 . ILE A 1 126 ? 16.713 -13.220 14.555 1.00 26.31 ? 204 ILE A CG2 1 ATOM 1011 C CD1 . ILE A 1 126 ? 17.331 -16.215 15.475 1.00 26.50 ? 204 ILE A CD1 1 ATOM 1012 N N . PHE A 1 127 ? 18.287 -10.406 15.236 1.00 26.69 ? 205 PHE A N 1 ATOM 1013 C CA . PHE A 1 127 ? 17.610 -9.159 14.843 1.00 26.53 ? 205 PHE A CA 1 ATOM 1014 C C . PHE A 1 127 ? 16.438 -9.590 13.945 1.00 26.45 ? 205 PHE A C 1 ATOM 1015 O O . PHE A 1 127 ? 16.623 -9.899 12.764 1.00 25.86 ? 205 PHE A O 1 ATOM 1016 C CB . PHE A 1 127 ? 18.623 -8.239 14.131 1.00 26.29 ? 205 PHE A CB 1 ATOM 1017 C CG . PHE A 1 127 ? 18.125 -6.840 13.816 1.00 26.09 ? 205 PHE A CG 1 ATOM 1018 C CD1 . PHE A 1 127 ? 16.904 -6.362 14.281 1.00 26.31 ? 205 PHE A CD1 1 ATOM 1019 C CD2 . PHE A 1 127 ? 18.925 -5.983 13.052 1.00 26.39 ? 205 PHE A CD2 1 ATOM 1020 C CE1 . PHE A 1 127 ? 16.467 -5.054 13.971 1.00 25.18 ? 205 PHE A CE1 1 ATOM 1021 C CE2 . PHE A 1 127 ? 18.510 -4.680 12.751 1.00 25.37 ? 205 PHE A CE2 1 ATOM 1022 C CZ . PHE A 1 127 ? 17.275 -4.218 13.213 1.00 26.46 ? 205 PHE A CZ 1 ATOM 1023 N N . ASN A 1 128 ? 15.242 -9.601 14.546 1.00 26.56 ? 206 ASN A N 1 ATOM 1024 C CA A ASN A 1 128 ? 14.062 -10.276 13.991 0.61 26.74 ? 206 ASN A CA 1 ATOM 1025 C CA B ASN A 1 128 ? 14.051 -10.267 13.995 0.39 26.68 ? 206 ASN A CA 1 ATOM 1026 C C . ASN A 1 128 ? 13.226 -9.415 13.038 1.00 26.70 ? 206 ASN A C 1 ATOM 1027 O O . ASN A 1 128 ? 12.857 -8.289 13.366 1.00 26.91 ? 206 ASN A O 1 ATOM 1028 C CB A ASN A 1 128 ? 13.200 -10.800 15.157 0.61 26.89 ? 206 ASN A CB 1 ATOM 1029 C CB B ASN A 1 128 ? 13.133 -10.733 15.137 0.39 26.76 ? 206 ASN A CB 1 ATOM 1030 C CG A ASN A 1 128 ? 11.907 -11.473 14.706 0.61 27.50 ? 206 ASN A CG 1 ATOM 1031 C CG B ASN A 1 128 ? 13.443 -12.141 15.615 0.39 27.04 ? 206 ASN A CG 1 ATOM 1032 O OD1 A ASN A 1 128 ? 11.839 -12.096 13.643 0.61 28.97 ? 206 ASN A OD1 1 ATOM 1033 O OD1 B ASN A 1 128 ? 13.871 -12.343 16.752 0.39 28.19 ? 206 ASN A OD1 1 ATOM 1034 N ND2 A ASN A 1 128 ? 10.873 -11.366 15.538 0.61 28.05 ? 206 ASN A ND2 1 ATOM 1035 N ND2 B ASN A 1 128 ? 13.217 -13.123 14.756 0.39 27.02 ? 206 ASN A ND2 1 ATOM 1036 N N . THR A 1 129 ? 12.928 -9.966 11.860 1.00 26.48 ? 207 THR A N 1 ATOM 1037 C CA . THR A 1 129 ? 11.987 -9.362 10.893 1.00 26.35 ? 207 THR A CA 1 ATOM 1038 C C . THR A 1 129 ? 12.194 -7.859 10.671 1.00 25.91 ? 207 THR A C 1 ATOM 1039 O O . THR A 1 129 ? 11.337 -7.028 11.019 1.00 25.72 ? 207 THR A O 1 ATOM 1040 C CB . THR A 1 129 ? 10.518 -9.664 11.289 1.00 26.30 ? 207 THR A CB 1 ATOM 1041 O OG1 . THR A 1 129 ? 10.410 -11.040 11.674 1.00 27.53 ? 207 THR A OG1 1 ATOM 1042 C CG2 . THR A 1 129 ? 9.542 -9.389 10.128 1.00 26.78 ? 207 THR A CG2 1 ATOM 1043 N N . GLN A 1 130 ? 13.330 -7.527 10.070 1.00 25.31 ? 208 GLN A N 1 ATOM 1044 C CA . GLN A 1 130 ? 13.675 -6.150 9.775 1.00 24.83 ? 208 GLN A CA 1 ATOM 1045 C C . GLN A 1 130 ? 12.787 -5.629 8.641 1.00 24.54 ? 208 GLN A C 1 ATOM 1046 O O . GLN A 1 130 ? 12.655 -6.277 7.601 1.00 24.49 ? 208 GLN A O 1 ATOM 1047 C CB . GLN A 1 130 ? 15.168 -6.046 9.444 1.00 24.92 ? 208 GLN A CB 1 ATOM 1048 C CG . GLN A 1 130 ? 16.070 -6.575 10.583 1.00 25.27 ? 208 GLN A CG 1 ATOM 1049 C CD . GLN A 1 130 ? 17.454 -7.021 10.123 1.00 25.92 ? 208 GLN A CD 1 ATOM 1050 O OE1 . GLN A 1 130 ? 17.961 -8.066 10.556 1.00 27.57 ? 208 GLN A OE1 1 ATOM 1051 N NE2 . GLN A 1 130 ? 18.067 -6.242 9.251 1.00 24.88 ? 208 GLN A NE2 1 ATOM 1052 N N . ALA A 1 131 ? 12.188 -4.460 8.858 1.00 24.37 ? 209 ALA A N 1 ATOM 1053 C CA . ALA A 1 131 ? 11.121 -3.943 7.997 1.00 24.93 ? 209 ALA A CA 1 ATOM 1054 C C . ALA A 1 131 ? 11.489 -2.689 7.201 1.00 25.29 ? 209 ALA A C 1 ATOM 1055 O O . ALA A 1 131 ? 10.985 -2.490 6.090 1.00 24.87 ? 209 ALA A O 1 ATOM 1056 C CB . ALA A 1 131 ? 9.863 -3.682 8.828 1.00 25.13 ? 209 ALA A CB 1 ATOM 1057 N N . GLN A 1 132 ? 12.355 -1.847 7.767 1.00 25.66 ? 210 GLN A N 1 ATOM 1058 C CA . GLN A 1 132 ? 12.717 -0.587 7.120 1.00 26.55 ? 210 GLN A CA 1 ATOM 1059 C C . GLN A 1 132 ? 14.095 -0.084 7.513 1.00 26.63 ? 210 GLN A C 1 ATOM 1060 O O . GLN A 1 132 ? 14.560 -0.331 8.627 1.00 26.73 ? 210 GLN A O 1 ATOM 1061 C CB . GLN A 1 132 ? 11.672 0.503 7.412 1.00 26.57 ? 210 GLN A CB 1 ATOM 1062 C CG . GLN A 1 132 ? 11.703 1.054 8.841 1.00 26.90 ? 210 GLN A CG 1 ATOM 1063 C CD . GLN A 1 132 ? 10.815 2.279 9.017 1.00 27.42 ? 210 GLN A CD 1 ATOM 1064 O OE1 . GLN A 1 132 ? 11.198 3.260 9.668 1.00 29.83 ? 210 GLN A OE1 1 ATOM 1065 N NE2 . GLN A 1 132 ? 9.637 2.236 8.421 1.00 26.12 ? 210 GLN A NE2 1 ATOM 1066 N N . ILE A 1 133 ? 14.729 0.621 6.577 1.00 26.74 ? 211 ILE A N 1 ATOM 1067 C CA . ILE A 1 133 ? 15.975 1.340 6.813 1.00 26.74 ? 211 ILE A CA 1 ATOM 1068 C C . ILE A 1 133 ? 15.681 2.820 6.591 1.00 26.76 ? 211 ILE A C 1 ATOM 1069 O O . ILE A 1 133 ? 15.411 3.244 5.458 1.00 26.51 ? 211 ILE A O 1 ATOM 1070 C CB . ILE A 1 133 ? 17.113 0.896 5.827 1.00 26.41 ? 211 ILE A CB 1 ATOM 1071 C CG1 . ILE A 1 133 ? 17.309 -0.625 5.852 1.00 26.44 ? 211 ILE A CG1 1 ATOM 1072 C CG2 . ILE A 1 133 ? 18.418 1.662 6.128 1.00 26.02 ? 211 ILE A CG2 1 ATOM 1073 C CD1 . ILE A 1 133 ? 18.273 -1.159 4.798 1.00 27.22 ? 211 ILE A CD1 1 ATOM 1074 N N . ALA A 1 134 ? 15.712 3.591 7.677 1.00 27.27 ? 212 ALA A N 1 ATOM 1075 C CA . ALA A 1 134 ? 15.520 5.037 7.618 1.00 26.92 ? 212 ALA A CA 1 ATOM 1076 C C . ALA A 1 134 ? 16.875 5.735 7.706 1.00 26.97 ? 212 ALA A C 1 ATOM 1077 O O . ALA A 1 134 ? 17.629 5.533 8.668 1.00 27.38 ? 212 ALA A O 1 ATOM 1078 C CB . ALA A 1 134 ? 14.594 5.514 8.743 1.00 26.46 ? 212 ALA A CB 1 ATOM 1079 N N . ILE A 1 135 ? 17.164 6.561 6.708 1.00 26.71 ? 213 ILE A N 1 ATOM 1080 C CA . ILE A 1 135 ? 18.430 7.271 6.612 1.00 26.99 ? 213 ILE A CA 1 ATOM 1081 C C . ILE A 1 135 ? 18.190 8.778 6.729 1.00 27.30 ? 213 ILE A C 1 ATOM 1082 O O . ILE A 1 135 ? 17.390 9.329 5.982 1.00 27.95 ? 213 ILE A O 1 ATOM 1083 C CB . ILE A 1 135 ? 19.135 6.964 5.261 1.00 26.95 ? 213 ILE A CB 1 ATOM 1084 C CG1 . ILE A 1 135 ? 19.406 5.454 5.125 1.00 26.99 ? 213 ILE A CG1 1 ATOM 1085 C CG2 . ILE A 1 135 ? 20.429 7.793 5.109 1.00 25.10 ? 213 ILE A CG2 1 ATOM 1086 C CD1 . ILE A 1 135 ? 19.597 4.976 3.682 1.00 26.54 ? 213 ILE A CD1 1 ATOM 1087 N N . GLY A 1 136 ? 18.888 9.445 7.649 1.00 27.94 ? 214 GLY A N 1 ATOM 1088 C CA . GLY A 1 136 ? 18.753 10.913 7.800 1.00 27.27 ? 214 GLY A CA 1 ATOM 1089 C C . GLY A 1 136 ? 18.176 11.418 9.114 1.00 27.24 ? 214 GLY A C 1 ATOM 1090 O O . GLY A 1 136 ? 18.240 12.625 9.416 1.00 26.37 ? 214 GLY A O 1 ATOM 1091 N N . GLY A 1 137 ? 17.577 10.511 9.883 1.00 27.40 ? 215 GLY A N 1 ATOM 1092 C CA . GLY A 1 137 ? 17.151 10.801 11.257 1.00 27.50 ? 215 GLY A CA 1 ATOM 1093 C C . GLY A 1 137 ? 15.948 11.706 11.465 1.00 28.30 ? 215 GLY A C 1 ATOM 1094 O O . GLY A 1 137 ? 15.530 11.928 12.601 1.00 28.52 ? 215 GLY A O 1 ATOM 1095 N N . LYS A 1 138 ? 15.389 12.230 10.377 1.00 28.74 ? 216 LYS A N 1 ATOM 1096 C CA . LYS A 1 138 ? 14.308 13.233 10.447 1.00 29.08 ? 216 LYS A CA 1 ATOM 1097 C C . LYS A 1 138 ? 13.054 12.699 11.152 1.00 29.66 ? 216 LYS A C 1 ATOM 1098 O O . LYS A 1 138 ? 12.415 13.412 11.928 1.00 29.82 ? 216 LYS A O 1 ATOM 1099 C CB . LYS A 1 138 ? 13.971 13.735 9.029 1.00 29.12 ? 216 LYS A CB 1 ATOM 1100 C CG . LYS A 1 138 ? 12.912 14.868 8.932 1.00 28.48 ? 216 LYS A CG 1 ATOM 1101 C CD . LYS A 1 138 ? 13.428 16.147 9.535 1.00 29.33 ? 216 LYS A CD 1 ATOM 1102 C CE . LYS A 1 138 ? 12.295 17.109 9.874 1.00 30.86 ? 216 LYS A CE 1 ATOM 1103 N NZ . LYS A 1 138 ? 12.135 18.137 8.849 1.00 28.61 ? 216 LYS A NZ 1 ATOM 1104 N N . ASP A 1 139 ? 12.720 11.439 10.887 1.00 30.24 ? 217 ASP A N 1 ATOM 1105 C CA . ASP A 1 139 ? 11.542 10.795 11.464 1.00 31.03 ? 217 ASP A CA 1 ATOM 1106 C C . ASP A 1 139 ? 11.577 10.738 12.998 1.00 30.86 ? 217 ASP A C 1 ATOM 1107 O O . ASP A 1 139 ? 10.531 10.771 13.649 1.00 30.56 ? 217 ASP A O 1 ATOM 1108 C CB . ASP A 1 139 ? 11.330 9.391 10.860 1.00 31.49 ? 217 ASP A CB 1 ATOM 1109 C CG . ASP A 1 139 ? 12.564 8.487 10.977 1.00 33.34 ? 217 ASP A CG 1 ATOM 1110 O OD1 . ASP A 1 139 ? 13.713 8.984 11.040 1.00 34.50 ? 217 ASP A OD1 1 ATOM 1111 O OD2 . ASP A 1 139 ? 12.383 7.249 10.965 1.00 36.11 ? 217 ASP A OD2 1 ATOM 1112 N N . LYS A 1 140 ? 12.782 10.681 13.561 1.00 30.75 ? 218 LYS A N 1 ATOM 1113 C CA . LYS A 1 140 ? 12.960 10.611 15.012 1.00 31.03 ? 218 LYS A CA 1 ATOM 1114 C C . LYS A 1 140 ? 13.294 11.963 15.638 1.00 30.64 ? 218 LYS A C 1 ATOM 1115 O O . LYS A 1 140 ? 13.610 12.033 16.822 1.00 31.03 ? 218 LYS A O 1 ATOM 1116 C CB . LYS A 1 140 ? 14.027 9.564 15.383 1.00 31.44 ? 218 LYS A CB 1 ATOM 1117 C CG . LYS A 1 140 ? 13.661 8.112 15.042 1.00 32.24 ? 218 LYS A CG 1 ATOM 1118 C CD . LYS A 1 140 ? 12.706 7.509 16.078 1.00 36.04 ? 218 LYS A CD 1 ATOM 1119 C CE . LYS A 1 140 ? 12.386 6.041 15.770 1.00 36.17 ? 218 LYS A CE 1 ATOM 1120 N NZ . LYS A 1 140 ? 11.555 5.393 16.844 1.00 37.29 ? 218 LYS A NZ 1 ATOM 1121 N N . GLY A 1 141 ? 13.238 13.029 14.839 1.00 29.99 ? 219 GLY A N 1 ATOM 1122 C CA . GLY A 1 141 ? 13.469 14.392 15.334 1.00 29.26 ? 219 GLY A CA 1 ATOM 1123 C C . GLY A 1 141 ? 14.912 14.685 15.699 1.00 29.06 ? 219 GLY A C 1 ATOM 1124 O O . GLY A 1 141 ? 15.195 15.595 16.476 1.00 28.87 ? 219 GLY A O 1 ATOM 1125 N N . ARG A 1 142 ? 15.825 13.895 15.146 1.00 28.51 ? 220 ARG A N 1 ATOM 1126 C CA . ARG A 1 142 ? 17.254 14.100 15.329 1.00 28.67 ? 220 ARG A CA 1 ATOM 1127 C C . ARG A 1 142 ? 17.895 14.102 13.945 1.00 28.25 ? 220 ARG A C 1 ATOM 1128 O O . ARG A 1 142 ? 18.631 13.189 13.583 1.00 27.38 ? 220 ARG A O 1 ATOM 1129 C CB . ARG A 1 142 ? 17.857 12.999 16.205 1.00 28.53 ? 220 ARG A CB 1 ATOM 1130 C CG . ARG A 1 142 ? 17.389 13.042 17.668 1.00 29.66 ? 220 ARG A CG 1 ATOM 1131 C CD . ARG A 1 142 ? 17.957 11.861 18.434 1.00 31.06 ? 220 ARG A CD 1 ATOM 1132 N NE . ARG A 1 142 ? 19.409 11.939 18.544 1.00 30.62 ? 220 ARG A NE 1 ATOM 1133 C CZ . ARG A 1 142 ? 20.199 10.916 18.866 1.00 31.88 ? 220 ARG A CZ 1 ATOM 1134 N NH1 . ARG A 1 142 ? 19.689 9.711 19.107 1.00 31.26 ? 220 ARG A NH1 1 ATOM 1135 N NH2 . ARG A 1 142 ? 21.509 11.096 18.921 1.00 31.25 ? 220 ARG A NH2 1 ATOM 1136 N N . LEU A 1 143 ? 17.600 15.136 13.167 1.00 28.37 ? 221 LEU A N 1 ATOM 1137 C CA . LEU A 1 143 ? 18.010 15.147 11.764 1.00 28.84 ? 221 LEU A CA 1 ATOM 1138 C C . LEU A 1 143 ? 19.530 15.180 11.580 1.00 28.74 ? 221 LEU A C 1 ATOM 1139 O O . LEU A 1 143 ? 20.257 15.859 12.322 1.00 29.33 ? 221 LEU A O 1 ATOM 1140 C CB . LEU A 1 143 ? 17.299 16.271 10.985 1.00 29.06 ? 221 LEU A CB 1 ATOM 1141 C CG . LEU A 1 143 ? 17.695 17.721 11.252 1.00 29.43 ? 221 LEU A CG 1 ATOM 1142 C CD1 . LEU A 1 143 ? 18.844 18.169 10.324 1.00 30.17 ? 221 LEU A CD1 1 ATOM 1143 C CD2 . LEU A 1 143 ? 16.479 18.641 11.122 1.00 29.07 ? 221 LEU A CD2 1 ATOM 1144 N N . PHE A 1 144 ? 20.004 14.432 10.593 1.00 28.50 ? 222 PHE A N 1 ATOM 1145 C CA . PHE A 1 144 ? 21.395 14.497 10.183 1.00 28.23 ? 222 PHE A CA 1 ATOM 1146 C C . PHE A 1 144 ? 21.539 15.616 9.147 1.00 28.28 ? 222 PHE A C 1 ATOM 1147 O O . PHE A 1 144 ? 20.719 15.737 8.226 1.00 28.29 ? 222 PHE A O 1 ATOM 1148 C CB . PHE A 1 144 ? 21.877 13.140 9.630 1.00 27.89 ? 222 PHE A CB 1 ATOM 1149 C CG . PHE A 1 144 ? 23.261 13.188 9.018 1.00 28.19 ? 222 PHE A CG 1 ATOM 1150 C CD1 . PHE A 1 144 ? 24.393 13.137 9.821 1.00 28.44 ? 222 PHE A CD1 1 ATOM 1151 C CD2 . PHE A 1 144 ? 23.428 13.314 7.628 1.00 27.88 ? 222 PHE A CD2 1 ATOM 1152 C CE1 . PHE A 1 144 ? 25.680 13.202 9.250 1.00 28.50 ? 222 PHE A CE1 1 ATOM 1153 C CE2 . PHE A 1 144 ? 24.697 13.390 7.060 1.00 28.14 ? 222 PHE A CE2 1 ATOM 1154 C CZ . PHE A 1 144 ? 25.826 13.328 7.873 1.00 27.68 ? 222 PHE A CZ 1 ATOM 1155 N N . GLN A 1 145 ? 22.564 16.448 9.320 1.00 28.37 ? 223 GLN A N 1 ATOM 1156 C CA . GLN A 1 145 ? 22.898 17.470 8.336 1.00 28.69 ? 223 GLN A CA 1 ATOM 1157 C C . GLN A 1 145 ? 24.324 17.220 7.867 1.00 28.63 ? 223 GLN A C 1 ATOM 1158 O O . GLN A 1 145 ? 25.258 17.167 8.671 1.00 28.56 ? 223 GLN A O 1 ATOM 1159 C CB . GLN A 1 145 ? 22.760 18.883 8.914 1.00 28.41 ? 223 GLN A CB 1 ATOM 1160 C CG . GLN A 1 145 ? 23.153 19.973 7.933 1.00 29.29 ? 223 GLN A CG 1 ATOM 1161 C CD . GLN A 1 145 ? 22.957 21.384 8.463 1.00 29.41 ? 223 GLN A CD 1 ATOM 1162 O OE1 . GLN A 1 145 ? 22.559 21.594 9.616 1.00 30.56 ? 223 GLN A OE1 1 ATOM 1163 N NE2 . GLN A 1 145 ? 23.236 22.363 7.614 1.00 30.70 ? 223 GLN A NE2 1 ATOM 1164 N N . GLY A 1 146 ? 24.487 17.055 6.563 1.00 28.27 ? 224 GLY A N 1 ATOM 1165 C CA . GLY A 1 146 ? 25.804 16.774 6.021 1.00 28.29 ? 224 GLY A CA 1 ATOM 1166 C C . GLY A 1 146 ? 25.729 15.822 4.853 1.00 28.05 ? 224 GLY A C 1 ATOM 1167 O O . GLY A 1 146 ? 24.707 15.744 4.171 1.00 28.05 ? 224 GLY A O 1 ATOM 1168 N N . GLN A 1 147 ? 26.834 15.123 4.616 1.00 27.94 ? 225 GLN A N 1 ATOM 1169 C CA . GLN A 1 147 ? 26.977 14.254 3.469 1.00 28.28 ? 225 GLN A CA 1 ATOM 1170 C C . GLN A 1 147 ? 27.066 12.794 3.888 1.00 27.62 ? 225 GLN A C 1 ATOM 1171 O O . GLN A 1 147 ? 27.804 12.468 4.813 1.00 26.42 ? 225 GLN A O 1 ATOM 1172 C CB . GLN A 1 147 ? 28.239 14.648 2.703 1.00 29.21 ? 225 GLN A CB 1 ATOM 1173 C CG . GLN A 1 147 ? 28.497 13.861 1.422 1.00 32.79 ? 225 GLN A CG 1 ATOM 1174 C CD . GLN A 1 147 ? 29.503 14.575 0.529 1.00 39.61 ? 225 GLN A CD 1 ATOM 1175 O OE1 . GLN A 1 147 ? 29.375 15.769 0.286 1.00 43.29 ? 225 GLN A OE1 1 ATOM 1176 N NE2 . GLN A 1 147 ? 30.516 13.855 0.062 1.00 40.88 ? 225 GLN A NE2 1 ATOM 1177 N N . LEU A 1 148 ? 26.306 11.930 3.208 1.00 27.45 ? 226 LEU A N 1 ATOM 1178 C CA . LEU A 1 148 ? 26.395 10.473 3.394 1.00 26.96 ? 226 LEU A CA 1 ATOM 1179 C C . LEU A 1 148 ? 26.768 9.829 2.078 1.00 27.64 ? 226 LEU A C 1 ATOM 1180 O O . LEU A 1 148 ? 26.209 10.199 1.032 1.00 26.73 ? 226 LEU A O 1 ATOM 1181 C CB . LEU A 1 148 ? 25.066 9.883 3.883 1.00 27.05 ? 226 LEU A CB 1 ATOM 1182 C CG . LEU A 1 148 ? 24.598 10.212 5.308 1.00 27.31 ? 226 LEU A CG 1 ATOM 1183 C CD1 . LEU A 1 148 ? 23.329 9.421 5.641 1.00 25.36 ? 226 LEU A CD1 1 ATOM 1184 C CD2 . LEU A 1 148 ? 25.694 9.920 6.321 1.00 26.93 ? 226 LEU A CD2 1 ATOM 1185 N N . SER A 1 149 ? 27.676 8.850 2.130 1.00 27.47 ? 227 SER A N 1 ATOM 1186 C CA A SER A 1 149 ? 28.222 8.228 0.919 0.34 28.21 ? 227 SER A CA 1 ATOM 1187 C CA B SER A 1 149 ? 28.184 8.222 0.914 0.66 28.24 ? 227 SER A CA 1 ATOM 1188 C C . SER A 1 149 ? 28.425 6.728 1.095 1.00 28.51 ? 227 SER A C 1 ATOM 1189 O O . SER A 1 149 ? 28.985 6.297 2.102 1.00 28.31 ? 227 SER A O 1 ATOM 1190 C CB A SER A 1 149 ? 29.580 8.842 0.559 0.34 28.00 ? 227 SER A CB 1 ATOM 1191 C CB B SER A 1 149 ? 29.489 8.891 0.475 0.66 27.90 ? 227 SER A CB 1 ATOM 1192 O OG A SER A 1 149 ? 29.614 10.239 0.774 0.34 28.62 ? 227 SER A OG 1 ATOM 1193 O OG B SER A 1 149 ? 29.943 8.354 -0.756 0.66 28.72 ? 227 SER A OG 1 ATOM 1194 N N . GLY A 1 150 ? 28.002 5.952 0.097 1.00 29.02 ? 228 GLY A N 1 ATOM 1195 C CA . GLY A 1 150 ? 28.321 4.524 0.033 1.00 29.31 ? 228 GLY A CA 1 ATOM 1196 C C . GLY A 1 150 ? 27.838 3.699 1.204 1.00 29.64 ? 228 GLY A C 1 ATOM 1197 O O . GLY A 1 150 ? 28.555 2.821 1.687 1.00 29.91 ? 228 GLY A O 1 ATOM 1198 N N . LEU A 1 151 ? 26.625 3.980 1.670 1.00 29.30 ? 229 LEU A N 1 ATOM 1199 C CA . LEU A 1 151 ? 26.046 3.223 2.775 1.00 29.19 ? 229 LEU A CA 1 ATOM 1200 C C . LEU A 1 151 ? 25.924 1.749 2.403 1.00 29.18 ? 229 LEU A C 1 ATOM 1201 O O . LEU A 1 151 ? 25.416 1.402 1.326 1.00 28.63 ? 229 LEU A O 1 ATOM 1202 C CB . LEU A 1 151 ? 24.678 3.792 3.156 1.00 29.56 ? 229 LEU A CB 1 ATOM 1203 C CG . LEU A 1 151 ? 24.080 3.438 4.517 1.00 32.14 ? 229 LEU A CG 1 ATOM 1204 C CD1 . LEU A 1 151 ? 23.061 4.516 4.856 1.00 35.45 ? 229 LEU A CD1 1 ATOM 1205 C CD2 . LEU A 1 151 ? 23.418 2.072 4.502 1.00 33.93 ? 229 LEU A CD2 1 ATOM 1206 N N . TYR A 1 152 ? 26.400 0.886 3.294 1.00 28.69 ? 230 TYR A N 1 ATOM 1207 C CA . TYR A 1 152 ? 26.340 -0.551 3.073 1.00 28.77 ? 230 TYR A CA 1 ATOM 1208 C C . TYR A 1 152 ? 25.694 -1.165 4.300 1.00 28.29 ? 230 TYR A C 1 ATOM 1209 O O . TYR A 1 152 ? 26.128 -0.909 5.425 1.00 28.10 ? 230 TYR A O 1 ATOM 1210 C CB . TYR A 1 152 ? 27.746 -1.124 2.846 1.00 29.71 ? 230 TYR A CB 1 ATOM 1211 C CG . TYR A 1 152 ? 27.820 -2.643 2.789 1.00 31.42 ? 230 TYR A CG 1 ATOM 1212 C CD1 . TYR A 1 152 ? 27.942 -3.308 1.570 1.00 33.19 ? 230 TYR A CD1 1 ATOM 1213 C CD2 . TYR A 1 152 ? 27.778 -3.413 3.962 1.00 33.27 ? 230 TYR A CD2 1 ATOM 1214 C CE1 . TYR A 1 152 ? 28.016 -4.713 1.517 1.00 34.09 ? 230 TYR A CE1 1 ATOM 1215 C CE2 . TYR A 1 152 ? 27.839 -4.815 3.918 1.00 32.30 ? 230 TYR A CE2 1 ATOM 1216 C CZ . TYR A 1 152 ? 27.959 -5.447 2.702 1.00 32.92 ? 230 TYR A CZ 1 ATOM 1217 O OH . TYR A 1 152 ? 28.021 -6.828 2.669 1.00 34.12 ? 230 TYR A OH 1 ATOM 1218 N N . TYR A 1 153 ? 24.631 -1.934 4.092 1.00 27.59 ? 231 TYR A N 1 ATOM 1219 C CA . TYR A 1 153 ? 24.011 -2.665 5.192 1.00 27.37 ? 231 TYR A CA 1 ATOM 1220 C C . TYR A 1 153 ? 23.651 -4.070 4.748 1.00 27.36 ? 231 TYR A C 1 ATOM 1221 O O . TYR A 1 153 ? 22.766 -4.265 3.906 1.00 26.54 ? 231 TYR A O 1 ATOM 1222 C CB . TYR A 1 153 ? 22.769 -1.947 5.757 1.00 27.09 ? 231 TYR A CB 1 ATOM 1223 C CG . TYR A 1 153 ? 22.091 -2.747 6.868 1.00 26.76 ? 231 TYR A CG 1 ATOM 1224 C CD1 . TYR A 1 153 ? 22.703 -2.870 8.118 1.00 27.06 ? 231 TYR A CD1 1 ATOM 1225 C CD2 . TYR A 1 153 ? 20.869 -3.405 6.662 1.00 26.82 ? 231 TYR A CD2 1 ATOM 1226 C CE1 . TYR A 1 153 ? 22.122 -3.606 9.144 1.00 27.51 ? 231 TYR A CE1 1 ATOM 1227 C CE2 . TYR A 1 153 ? 20.254 -4.153 7.710 1.00 26.30 ? 231 TYR A CE2 1 ATOM 1228 C CZ . TYR A 1 153 ? 20.908 -4.247 8.942 1.00 27.08 ? 231 TYR A CZ 1 ATOM 1229 O OH . TYR A 1 153 ? 20.377 -4.944 10.001 1.00 27.12 ? 231 TYR A OH 1 ATOM 1230 N N . ASP A 1 154 ? 24.341 -5.052 5.321 1.00 27.76 ? 232 ASP A N 1 ATOM 1231 C CA . ASP A 1 154 ? 24.069 -6.464 5.030 1.00 28.07 ? 232 ASP A CA 1 ATOM 1232 C C . ASP A 1 154 ? 23.911 -6.745 3.535 1.00 28.40 ? 232 ASP A C 1 ATOM 1233 O O . ASP A 1 154 ? 22.952 -7.401 3.107 1.00 27.95 ? 232 ASP A O 1 ATOM 1234 C CB . ASP A 1 154 ? 22.826 -6.956 5.786 1.00 27.95 ? 232 ASP A CB 1 ATOM 1235 C CG . ASP A 1 154 ? 23.014 -6.961 7.281 1.00 29.64 ? 232 ASP A CG 1 ATOM 1236 O OD1 . ASP A 1 154 ? 24.134 -6.661 7.757 1.00 29.25 ? 232 ASP A OD1 1 ATOM 1237 O OD2 . ASP A 1 154 ? 22.022 -7.248 7.987 1.00 31.37 ? 232 ASP A OD2 1 ATOM 1238 N N . GLY A 1 155 ? 24.839 -6.230 2.736 1.00 28.83 ? 233 GLY A N 1 ATOM 1239 C CA . GLY A 1 155 ? 24.836 -6.527 1.304 1.00 28.98 ? 233 GLY A CA 1 ATOM 1240 C C . GLY A 1 155 ? 24.107 -5.493 0.466 1.00 29.03 ? 233 GLY A C 1 ATOM 1241 O O . GLY A 1 155 ? 24.282 -5.444 -0.747 1.00 29.58 ? 233 GLY A O 1 ATOM 1242 N N . LEU A 1 156 ? 23.288 -4.670 1.114 1.00 28.73 ? 234 LEU A N 1 ATOM 1243 C CA . LEU A 1 156 ? 22.521 -3.635 0.428 1.00 28.83 ? 234 LEU A CA 1 ATOM 1244 C C . LEU A 1 156 ? 23.277 -2.310 0.363 1.00 28.49 ? 234 LEU A C 1 ATOM 1245 O O . LEU A 1 156 ? 23.642 -1.744 1.390 1.00 28.50 ? 234 LEU A O 1 ATOM 1246 C CB . LEU A 1 156 ? 21.156 -3.428 1.106 1.00 28.67 ? 234 LEU A CB 1 ATOM 1247 C CG . LEU A 1 156 ? 20.272 -4.666 1.308 1.00 28.86 ? 234 LEU A CG 1 ATOM 1248 C CD1 . LEU A 1 156 ? 19.089 -4.299 2.193 1.00 29.79 ? 234 LEU A CD1 1 ATOM 1249 C CD2 . LEU A 1 156 ? 19.807 -5.245 -0.030 1.00 29.01 ? 234 LEU A CD2 1 ATOM 1250 N N . LYS A 1 157 ? 23.522 -1.840 -0.857 1.00 28.68 ? 235 LYS A N 1 ATOM 1251 C CA . LYS A 1 157 ? 24.066 -0.507 -1.078 1.00 28.76 ? 235 LYS A CA 1 ATOM 1252 C C . LYS A 1 157 ? 22.869 0.416 -1.248 1.00 28.48 ? 235 LYS A C 1 ATOM 1253 O O . LYS A 1 157 ? 22.429 0.708 -2.370 1.00 28.14 ? 235 LYS A O 1 ATOM 1254 C CB . LYS A 1 157 ? 24.994 -0.492 -2.292 1.00 28.97 ? 235 LYS A CB 1 ATOM 1255 C CG . LYS A 1 157 ? 26.373 -1.061 -1.973 1.00 31.83 ? 235 LYS A CG 1 ATOM 1256 C CD . LYS A 1 157 ? 27.120 -1.480 -3.208 1.00 34.93 ? 235 LYS A CD 1 ATOM 1257 C CE . LYS A 1 157 ? 28.506 -2.005 -2.841 1.00 37.65 ? 235 LYS A CE 1 ATOM 1258 N NZ . LYS A 1 157 ? 29.188 -2.608 -4.032 1.00 38.34 ? 235 LYS A NZ 1 ATOM 1259 N N . VAL A 1 158 ? 22.336 0.849 -0.112 1.00 28.59 ? 236 VAL A N 1 ATOM 1260 C CA . VAL A 1 158 ? 21.038 1.530 -0.056 1.00 28.30 ? 236 VAL A CA 1 ATOM 1261 C C . VAL A 1 158 ? 21.021 2.855 -0.815 1.00 28.01 ? 236 VAL A C 1 ATOM 1262 O O . VAL A 1 158 ? 20.038 3.169 -1.505 1.00 27.75 ? 236 VAL A O 1 ATOM 1263 C CB . VAL A 1 158 ? 20.533 1.712 1.415 1.00 28.68 ? 236 VAL A CB 1 ATOM 1264 C CG1 . VAL A 1 158 ? 19.109 2.266 1.431 1.00 28.24 ? 236 VAL A CG1 1 ATOM 1265 C CG2 . VAL A 1 158 ? 20.610 0.389 2.197 1.00 29.20 ? 236 VAL A CG2 1 ATOM 1266 N N . LEU A 1 159 ? 22.091 3.640 -0.690 1.00 27.77 ? 237 LEU A N 1 ATOM 1267 C CA . LEU A 1 159 ? 22.175 4.901 -1.436 1.00 27.87 ? 237 LEU A CA 1 ATOM 1268 C C . LEU A 1 159 ? 22.287 4.665 -2.950 1.00 28.00 ? 237 LEU A C 1 ATOM 1269 O O . LEU A 1 159 ? 21.747 5.444 -3.740 1.00 27.85 ? 237 LEU A O 1 ATOM 1270 C CB . LEU A 1 159 ? 23.300 5.814 -0.902 1.00 27.09 ? 237 LEU A CB 1 ATOM 1271 C CG . LEU A 1 159 ? 23.216 6.231 0.579 1.00 27.75 ? 237 LEU A CG 1 ATOM 1272 C CD1 . LEU A 1 159 ? 24.363 7.172 0.971 1.00 25.98 ? 237 LEU A CD1 1 ATOM 1273 C CD2 . LEU A 1 159 ? 21.825 6.875 0.925 1.00 25.78 ? 237 LEU A CD2 1 ATOM 1274 N N . ASN A 1 160 ? 22.992 3.603 -3.356 1.00 28.52 ? 238 ASN A N 1 ATOM 1275 C CA . ASN A 1 160 ? 23.000 3.190 -4.773 1.00 29.10 ? 238 ASN A CA 1 ATOM 1276 C C . ASN A 1 160 ? 21.603 2.808 -5.251 1.00 29.17 ? 238 ASN A C 1 ATOM 1277 O O . ASN A 1 160 ? 21.211 3.154 -6.358 1.00 28.70 ? 238 ASN A O 1 ATOM 1278 C CB . ASN A 1 160 ? 23.963 2.018 -5.037 1.00 29.36 ? 238 ASN A CB 1 ATOM 1279 C CG . ASN A 1 160 ? 25.429 2.420 -4.964 1.00 31.55 ? 238 ASN A CG 1 ATOM 1280 O OD1 . ASN A 1 160 ? 25.768 3.539 -4.568 1.00 33.76 ? 238 ASN A OD1 1 ATOM 1281 N ND2 . ASN A 1 160 ? 26.313 1.496 -5.340 1.00 33.23 ? 238 ASN A ND2 1 ATOM 1282 N N . MET A 1 161 ? 20.859 2.099 -4.404 1.00 29.58 ? 239 MET A N 1 ATOM 1283 C CA . MET A 1 161 ? 19.475 1.733 -4.712 1.00 30.57 ? 239 MET A CA 1 ATOM 1284 C C . MET A 1 161 ? 18.572 2.963 -4.818 1.00 29.87 ? 239 MET A C 1 ATOM 1285 O O . MET A 1 161 ? 17.704 3.026 -5.691 1.00 29.33 ? 239 MET A O 1 ATOM 1286 C CB . MET A 1 161 ? 18.943 0.780 -3.652 1.00 30.45 ? 239 MET A CB 1 ATOM 1287 C CG . MET A 1 161 ? 19.677 -0.560 -3.632 1.00 31.53 ? 239 MET A CG 1 ATOM 1288 S SD . MET A 1 161 ? 19.375 -1.471 -2.113 1.00 34.00 ? 239 MET A SD 1 ATOM 1289 C CE . MET A 1 161 ? 17.849 -2.287 -2.517 1.00 33.72 ? 239 MET A CE 1 ATOM 1290 N N . ALA A 1 162 ? 18.782 3.937 -3.929 1.00 29.24 ? 240 ALA A N 1 ATOM 1291 C CA . ALA A 1 162 ? 18.059 5.208 -4.004 1.00 29.06 ? 240 ALA A CA 1 ATOM 1292 C C . ALA A 1 162 ? 18.365 5.917 -5.328 1.00 29.25 ? 240 ALA A C 1 ATOM 1293 O O . ALA A 1 162 ? 17.450 6.344 -6.034 1.00 28.95 ? 240 ALA A O 1 ATOM 1294 C CB . ALA A 1 162 ? 18.405 6.095 -2.799 1.00 28.74 ? 240 ALA A CB 1 ATOM 1295 N N . ALA A 1 163 ? 19.650 5.998 -5.678 1.00 29.55 ? 241 ALA A N 1 ATOM 1296 C CA . ALA A 1 163 ? 20.093 6.663 -6.910 1.00 30.27 ? 241 ALA A CA 1 ATOM 1297 C C . ALA A 1 163 ? 19.563 5.994 -8.182 1.00 31.04 ? 241 ALA A C 1 ATOM 1298 O O . ALA A 1 163 ? 19.396 6.653 -9.211 1.00 30.54 ? 241 ALA A O 1 ATOM 1299 C CB . ALA A 1 163 ? 21.624 6.766 -6.941 1.00 30.06 ? 241 ALA A CB 1 ATOM 1300 N N . GLU A 1 164 ? 19.286 4.690 -8.095 1.00 31.79 ? 242 GLU A N 1 ATOM 1301 C CA . GLU A 1 164 ? 18.781 3.914 -9.229 1.00 33.33 ? 242 GLU A CA 1 ATOM 1302 C C . GLU A 1 164 ? 17.258 3.835 -9.261 1.00 32.25 ? 242 GLU A C 1 ATOM 1303 O O . GLU A 1 164 ? 16.698 3.059 -10.032 1.00 32.44 ? 242 GLU A O 1 ATOM 1304 C CB . GLU A 1 164 ? 19.358 2.498 -9.194 1.00 33.35 ? 242 GLU A CB 1 ATOM 1305 C CG . GLU A 1 164 ? 20.820 2.408 -9.583 1.00 36.11 ? 242 GLU A CG 1 ATOM 1306 C CD . GLU A 1 164 ? 21.428 1.035 -9.298 1.00 36.99 ? 242 GLU A CD 1 ATOM 1307 O OE1 . GLU A 1 164 ? 20.716 0.138 -8.774 1.00 41.69 ? 242 GLU A OE1 1 ATOM 1308 O OE2 . GLU A 1 164 ? 22.632 0.855 -9.601 1.00 42.14 ? 242 GLU A OE2 1 ATOM 1309 N N . ASN A 1 165 ? 16.599 4.630 -8.418 1.00 31.73 ? 243 ASN A N 1 ATOM 1310 C CA . ASN A 1 165 ? 15.132 4.688 -8.327 1.00 31.25 ? 243 ASN A CA 1 ATOM 1311 C C . ASN A 1 165 ? 14.487 3.335 -8.012 1.00 30.65 ? 243 ASN A C 1 ATOM 1312 O O . ASN A 1 165 ? 13.488 2.943 -8.632 1.00 30.05 ? 243 ASN A O 1 ATOM 1313 C CB . ASN A 1 165 ? 14.521 5.328 -9.592 1.00 31.87 ? 243 ASN A CB 1 ATOM 1314 C CG . ASN A 1 165 ? 15.088 6.717 -9.879 1.00 33.86 ? 243 ASN A CG 1 ATOM 1315 O OD1 . ASN A 1 165 ? 15.201 7.563 -8.982 1.00 37.04 ? 243 ASN A OD1 1 ATOM 1316 N ND2 . ASN A 1 165 ? 15.457 6.953 -11.131 1.00 35.55 ? 243 ASN A ND2 1 ATOM 1317 N N . ASN A 1 166 ? 15.081 2.618 -7.057 1.00 29.61 ? 244 ASN A N 1 ATOM 1318 C CA . ASN A 1 166 ? 14.530 1.368 -6.549 1.00 28.98 ? 244 ASN A CA 1 ATOM 1319 C C . ASN A 1 166 ? 13.098 1.622 -6.061 1.00 28.83 ? 244 ASN A C 1 ATOM 1320 O O . ASN A 1 166 ? 12.871 2.561 -5.301 1.00 29.12 ? 244 ASN A O 1 ATOM 1321 C CB . ASN A 1 166 ? 15.422 0.852 -5.413 1.00 29.20 ? 244 ASN A CB 1 ATOM 1322 C CG . ASN A 1 166 ? 14.978 -0.495 -4.865 1.00 28.81 ? 244 ASN A CG 1 ATOM 1323 O OD1 . ASN A 1 166 ? 15.610 -1.517 -5.121 1.00 29.14 ? 244 ASN A OD1 1 ATOM 1324 N ND2 . ASN A 1 166 ? 13.910 -0.496 -4.092 1.00 27.93 ? 244 ASN A ND2 1 ATOM 1325 N N . PRO A 1 167 ? 12.129 0.796 -6.500 1.00 28.81 ? 245 PRO A N 1 ATOM 1326 C CA . PRO A 1 167 ? 10.714 1.035 -6.188 1.00 28.63 ? 245 PRO A CA 1 ATOM 1327 C C . PRO A 1 167 ? 10.346 0.929 -4.699 1.00 28.24 ? 245 PRO A C 1 ATOM 1328 O O . PRO A 1 167 ? 9.237 1.306 -4.318 1.00 28.41 ? 245 PRO A O 1 ATOM 1329 C CB . PRO A 1 167 ? 9.991 -0.046 -6.999 1.00 28.62 ? 245 PRO A CB 1 ATOM 1330 C CG . PRO A 1 167 ? 10.994 -1.119 -7.168 1.00 28.93 ? 245 PRO A CG 1 ATOM 1331 C CD . PRO A 1 167 ? 12.301 -0.416 -7.324 1.00 28.76 ? 245 PRO A CD 1 ATOM 1332 N N . ASN A 1 168 ? 11.266 0.424 -3.882 1.00 27.52 ? 246 ASN A N 1 ATOM 1333 C CA . ASN A 1 168 ? 11.069 0.318 -2.435 1.00 27.60 ? 246 ASN A CA 1 ATOM 1334 C C . ASN A 1 168 ? 11.753 1.426 -1.629 1.00 27.60 ? 246 ASN A C 1 ATOM 1335 O O . ASN A 1 168 ? 11.809 1.365 -0.395 1.00 27.46 ? 246 ASN A O 1 ATOM 1336 C CB . ASN A 1 168 ? 11.535 -1.054 -1.962 1.00 27.47 ? 246 ASN A CB 1 ATOM 1337 C CG . ASN A 1 168 ? 10.763 -2.170 -2.620 1.00 27.72 ? 246 ASN A CG 1 ATOM 1338 O OD1 . ASN A 1 168 ? 9.553 -2.268 -2.451 1.00 28.63 ? 246 ASN A OD1 1 ATOM 1339 N ND2 . ASN A 1 168 ? 11.453 -3.007 -3.386 1.00 27.14 ? 246 ASN A ND2 1 ATOM 1340 N N . ILE A 1 169 ? 12.255 2.434 -2.342 1.00 27.79 ? 247 ILE A N 1 ATOM 1341 C CA . ILE A 1 169 ? 12.834 3.631 -1.733 1.00 28.12 ? 247 ILE A CA 1 ATOM 1342 C C . ILE A 1 169 ? 11.863 4.808 -1.836 1.00 28.52 ? 247 ILE A C 1 ATOM 1343 O O . ILE A 1 169 ? 11.278 5.060 -2.899 1.00 28.12 ? 247 ILE A O 1 ATOM 1344 C CB . ILE A 1 169 ? 14.195 4.025 -2.398 1.00 28.16 ? 247 ILE A CB 1 ATOM 1345 C CG1 . ILE A 1 169 ? 15.267 2.935 -2.186 1.00 28.28 ? 247 ILE A CG1 1 ATOM 1346 C CG2 . ILE A 1 169 ? 14.677 5.407 -1.900 1.00 28.05 ? 247 ILE A CG2 1 ATOM 1347 C CD1 . ILE A 1 169 ? 16.029 3.020 -0.872 1.00 30.74 ? 247 ILE A CD1 1 ATOM 1348 N N . LYS A 1 170 ? 11.688 5.514 -0.720 1.00 28.85 ? 248 LYS A N 1 ATOM 1349 C CA . LYS A 1 170 ? 10.989 6.797 -0.705 1.00 29.26 ? 248 LYS A CA 1 ATOM 1350 C C . LYS A 1 170 ? 11.960 7.856 -0.196 1.00 28.70 ? 248 LYS A C 1 ATOM 1351 O O . LYS A 1 170 ? 12.722 7.609 0.745 1.00 28.21 ? 248 LYS A O 1 ATOM 1352 C CB . LYS A 1 170 ? 9.741 6.736 0.179 1.00 29.37 ? 248 LYS A CB 1 ATOM 1353 C CG . LYS A 1 170 ? 8.552 6.036 -0.487 1.00 30.67 ? 248 LYS A CG 1 ATOM 1354 C CD . LYS A 1 170 ? 7.323 5.979 0.429 1.00 31.38 ? 248 LYS A CD 1 ATOM 1355 C CE . LYS A 1 170 ? 6.244 5.085 -0.170 1.00 35.74 ? 248 LYS A CE 1 ATOM 1356 N NZ . LYS A 1 170 ? 5.105 4.828 0.776 1.00 37.56 ? 248 LYS A NZ 1 ATOM 1357 N N . ILE A 1 171 ? 11.954 9.017 -0.846 1.00 27.98 ? 249 ILE A N 1 ATOM 1358 C CA . ILE A 1 171 ? 12.829 10.123 -0.457 1.00 28.01 ? 249 ILE A CA 1 ATOM 1359 C C . ILE A 1 171 ? 11.975 11.362 -0.272 1.00 27.82 ? 249 ILE A C 1 ATOM 1360 O O . ILE A 1 171 ? 11.143 11.674 -1.129 1.00 27.41 ? 249 ILE A O 1 ATOM 1361 C CB . ILE A 1 171 ? 13.934 10.409 -1.514 1.00 27.91 ? 249 ILE A CB 1 ATOM 1362 C CG1 . ILE A 1 171 ? 14.775 9.150 -1.778 1.00 28.27 ? 249 ILE A CG1 1 ATOM 1363 C CG2 . ILE A 1 171 ? 14.818 11.594 -1.076 1.00 27.28 ? 249 ILE A CG2 1 ATOM 1364 C CD1 . ILE A 1 171 ? 15.904 9.343 -2.800 1.00 28.64 ? 249 ILE A CD1 1 ATOM 1365 N N . ASN A 1 172 ? 12.163 12.043 0.857 1.00 27.79 ? 250 ASN A N 1 ATOM 1366 C CA A ASN A 1 172 ? 11.408 13.255 1.209 0.34 27.59 ? 250 ASN A CA 1 ATOM 1367 C CA B ASN A 1 172 ? 11.498 13.330 1.053 0.66 27.83 ? 250 ASN A CA 1 ATOM 1368 C C . ASN A 1 172 ? 12.276 14.285 1.942 1.00 27.46 ? 250 ASN A C 1 ATOM 1369 O O . ASN A 1 172 ? 13.267 13.919 2.559 1.00 26.87 ? 250 ASN A O 1 ATOM 1370 C CB A ASN A 1 172 ? 10.216 12.882 2.097 0.34 27.75 ? 250 ASN A CB 1 ATOM 1371 C CB B ASN A 1 172 ? 10.035 13.169 1.506 0.66 28.30 ? 250 ASN A CB 1 ATOM 1372 C CG A ASN A 1 172 ? 9.191 12.021 1.378 0.34 28.06 ? 250 ASN A CG 1 ATOM 1373 C CG B ASN A 1 172 ? 9.888 12.378 2.787 0.66 29.12 ? 250 ASN A CG 1 ATOM 1374 O OD1 A ASN A 1 172 ? 8.372 12.520 0.603 0.34 29.44 ? 250 ASN A OD1 1 ATOM 1375 O OD1 B ASN A 1 172 ? 10.829 12.236 3.566 0.66 29.58 ? 250 ASN A OD1 1 ATOM 1376 N ND2 A ASN A 1 172 ? 9.221 10.720 1.647 0.34 28.08 ? 250 ASN A ND2 1 ATOM 1377 N ND2 B ASN A 1 172 ? 8.680 11.862 3.017 0.66 30.89 ? 250 ASN A ND2 1 ATOM 1378 N N . GLY A 1 173 ? 11.865 15.548 1.928 1.00 26.93 ? 251 GLY A N 1 ATOM 1379 C CA . GLY A 1 173 ? 12.559 16.567 2.689 1.00 26.39 ? 251 GLY A CA 1 ATOM 1380 C C . GLY A 1 173 ? 13.818 17.064 2.008 1.00 26.48 ? 251 GLY A C 1 ATOM 1381 O O . GLY A 1 173 ? 13.984 16.925 0.795 1.00 26.11 ? 251 GLY A O 1 ATOM 1382 N N . SER A 1 174 ? 14.709 17.643 2.805 1.00 26.53 ? 252 SER A N 1 ATOM 1383 C CA . SER A 1 174 ? 15.885 18.328 2.279 1.00 27.23 ? 252 SER A CA 1 ATOM 1384 C C . SER A 1 174 ? 17.034 17.343 2.064 1.00 26.94 ? 252 SER A C 1 ATOM 1385 O O . SER A 1 174 ? 17.947 17.227 2.878 1.00 26.89 ? 252 SER A O 1 ATOM 1386 C CB . SER A 1 174 ? 16.292 19.469 3.205 1.00 27.06 ? 252 SER A CB 1 ATOM 1387 O OG . SER A 1 174 ? 17.291 20.257 2.596 1.00 30.47 ? 252 SER A OG 1 ATOM 1388 N N . VAL A 1 175 ? 16.960 16.617 0.956 1.00 26.84 ? 253 VAL A N 1 ATOM 1389 C CA . VAL A 1 175 ? 17.986 15.640 0.604 1.00 27.12 ? 253 VAL A CA 1 ATOM 1390 C C . VAL A 1 175 ? 18.133 15.594 -0.917 1.00 26.89 ? 253 VAL A C 1 ATOM 1391 O O . VAL A 1 175 ? 17.153 15.719 -1.674 1.00 26.27 ? 253 VAL A O 1 ATOM 1392 C CB . VAL A 1 175 ? 17.750 14.252 1.283 1.00 28.21 ? 253 VAL A CB 1 ATOM 1393 C CG1 . VAL A 1 175 ? 16.323 13.775 1.095 1.00 28.34 ? 253 VAL A CG1 1 ATOM 1394 C CG2 . VAL A 1 175 ? 18.805 13.196 0.838 1.00 28.01 ? 253 VAL A CG2 1 ATOM 1395 N N . ARG A 1 176 ? 19.375 15.476 -1.357 1.00 26.03 ? 254 ARG A N 1 ATOM 1396 C CA . ARG A 1 176 ? 19.696 15.626 -2.766 1.00 26.54 ? 254 ARG A CA 1 ATOM 1397 C C . ARG A 1 176 ? 20.836 14.690 -3.142 1.00 25.65 ? 254 ARG A C 1 ATOM 1398 O O . ARG A 1 176 ? 21.847 14.629 -2.441 1.00 24.74 ? 254 ARG A O 1 ATOM 1399 C CB . ARG A 1 176 ? 20.124 17.070 -3.034 1.00 26.86 ? 254 ARG A CB 1 ATOM 1400 C CG . ARG A 1 176 ? 20.104 17.434 -4.490 1.00 31.25 ? 254 ARG A CG 1 ATOM 1401 C CD . ARG A 1 176 ? 21.327 18.240 -4.865 1.00 35.71 ? 254 ARG A CD 1 ATOM 1402 N NE . ARG A 1 176 ? 21.106 19.687 -4.865 1.00 39.46 ? 254 ARG A NE 1 ATOM 1403 C CZ . ARG A 1 176 ? 20.395 20.349 -5.777 1.00 41.57 ? 254 ARG A CZ 1 ATOM 1404 N NH1 . ARG A 1 176 ? 19.784 19.710 -6.771 1.00 43.15 ? 254 ARG A NH1 1 ATOM 1405 N NH2 . ARG A 1 176 ? 20.279 21.662 -5.690 1.00 42.08 ? 254 ARG A NH2 1 ATOM 1406 N N . LEU A 1 177 ? 20.661 13.967 -4.243 1.00 25.31 ? 255 LEU A N 1 ATOM 1407 C CA . LEU A 1 177 ? 21.735 13.182 -4.843 1.00 25.58 ? 255 LEU A CA 1 ATOM 1408 C C . LEU A 1 177 ? 22.813 14.111 -5.413 1.00 25.90 ? 255 LEU A C 1 ATOM 1409 O O . LEU A 1 177 ? 22.499 15.080 -6.077 1.00 25.24 ? 255 LEU A O 1 ATOM 1410 C CB . LEU A 1 177 ? 21.171 12.302 -5.971 1.00 25.31 ? 255 LEU A CB 1 ATOM 1411 C CG . LEU A 1 177 ? 22.145 11.384 -6.727 1.00 24.77 ? 255 LEU A CG 1 ATOM 1412 C CD1 . LEU A 1 177 ? 22.763 10.326 -5.802 1.00 24.04 ? 255 LEU A CD1 1 ATOM 1413 C CD2 . LEU A 1 177 ? 21.450 10.737 -7.942 1.00 25.09 ? 255 LEU A CD2 1 ATOM 1414 N N . VAL A 1 178 ? 24.082 13.812 -5.154 1.00 27.13 ? 256 VAL A N 1 ATOM 1415 C CA . VAL A 1 178 ? 25.175 14.555 -5.804 1.00 28.75 ? 256 VAL A CA 1 ATOM 1416 C C . VAL A 1 178 ? 26.089 13.613 -6.614 1.00 29.84 ? 256 VAL A C 1 ATOM 1417 O O . VAL A 1 178 ? 26.046 12.387 -6.461 1.00 31.19 ? 256 VAL A O 1 ATOM 1418 C CB . VAL A 1 178 ? 25.972 15.476 -4.812 1.00 29.33 ? 256 VAL A CB 1 ATOM 1419 C CG1 . VAL A 1 178 ? 25.054 16.554 -4.217 1.00 29.05 ? 256 VAL A CG1 1 ATOM 1420 C CG2 . VAL A 1 178 ? 26.637 14.671 -3.715 1.00 29.54 ? 256 VAL A CG2 1 ATOM 1421 O OXT . VAL A 1 178 ? 26.857 14.021 -7.482 1.00 30.21 ? 256 VAL A OXT 1 ATOM 1422 N N . GLY B 1 1 ? 36.847 1.461 -4.789 1.00 34.63 ? 79 GLY B N 1 ATOM 1423 C CA . GLY B 1 1 ? 37.793 0.737 -3.887 1.00 35.03 ? 79 GLY B CA 1 ATOM 1424 C C . GLY B 1 1 ? 39.210 0.637 -4.442 1.00 35.00 ? 79 GLY B C 1 ATOM 1425 O O . GLY B 1 1 ? 39.476 1.077 -5.569 1.00 35.79 ? 79 GLY B O 1 ATOM 1426 N N . PRO B 1 2 ? 40.136 0.065 -3.649 1.00 34.69 ? 80 PRO B N 1 ATOM 1427 C CA . PRO B 1 2 ? 41.532 -0.117 -4.053 1.00 34.17 ? 80 PRO B CA 1 ATOM 1428 C C . PRO B 1 2 ? 41.709 -0.777 -5.421 1.00 34.00 ? 80 PRO B C 1 ATOM 1429 O O . PRO B 1 2 ? 42.654 -0.452 -6.120 1.00 33.81 ? 80 PRO B O 1 ATOM 1430 C CB . PRO B 1 2 ? 42.094 -1.031 -2.959 1.00 34.03 ? 80 PRO B CB 1 ATOM 1431 C CG . PRO B 1 2 ? 41.286 -0.716 -1.771 1.00 33.81 ? 80 PRO B CG 1 ATOM 1432 C CD . PRO B 1 2 ? 39.898 -0.444 -2.284 1.00 34.52 ? 80 PRO B CD 1 ATOM 1433 N N . GLY B 1 3 ? 40.814 -1.689 -5.793 1.00 33.78 ? 81 GLY B N 1 ATOM 1434 C CA . GLY B 1 3 ? 40.924 -2.405 -7.063 1.00 33.97 ? 81 GLY B CA 1 ATOM 1435 C C . GLY B 1 3 ? 40.366 -1.695 -8.290 1.00 34.13 ? 81 GLY B C 1 ATOM 1436 O O . GLY B 1 3 ? 40.573 -2.155 -9.424 1.00 34.28 ? 81 GLY B O 1 ATOM 1437 N N . SER B 1 4 ? 39.653 -0.588 -8.072 1.00 33.66 ? 82 SER B N 1 ATOM 1438 C CA . SER B 1 4 ? 39.047 0.166 -9.173 1.00 33.63 ? 82 SER B CA 1 ATOM 1439 C C . SER B 1 4 ? 40.131 0.697 -10.119 1.00 32.33 ? 82 SER B C 1 ATOM 1440 O O . SER B 1 4 ? 41.154 1.226 -9.669 1.00 32.20 ? 82 SER B O 1 ATOM 1441 C CB . SER B 1 4 ? 38.146 1.284 -8.646 1.00 33.92 ? 82 SER B CB 1 ATOM 1442 O OG . SER B 1 4 ? 38.853 2.492 -8.459 1.00 37.78 ? 82 SER B OG 1 ATOM 1443 N N . ALA B 1 5 ? 39.917 0.513 -11.422 1.00 30.78 ? 83 ALA B N 1 ATOM 1444 C CA . ALA B 1 5 ? 40.968 0.740 -12.414 1.00 29.11 ? 83 ALA B CA 1 ATOM 1445 C C . ALA B 1 5 ? 41.444 2.187 -12.399 1.00 28.45 ? 83 ALA B C 1 ATOM 1446 O O . ALA B 1 5 ? 40.641 3.112 -12.305 1.00 27.66 ? 83 ALA B O 1 ATOM 1447 C CB . ALA B 1 5 ? 40.496 0.346 -13.794 1.00 29.41 ? 83 ALA B CB 1 ATOM 1448 N N . THR B 1 6 ? 42.761 2.356 -12.473 1.00 27.41 ? 84 THR B N 1 ATOM 1449 C CA . THR B 1 6 ? 43.384 3.664 -12.457 1.00 27.29 ? 84 THR B CA 1 ATOM 1450 C C . THR B 1 6 ? 44.350 3.779 -13.633 1.00 26.50 ? 84 THR B C 1 ATOM 1451 O O . THR B 1 6 ? 45.103 2.839 -13.908 1.00 25.92 ? 84 THR B O 1 ATOM 1452 C CB . THR B 1 6 ? 44.150 3.888 -11.129 1.00 27.61 ? 84 THR B CB 1 ATOM 1453 O OG1 . THR B 1 6 ? 43.267 3.649 -10.023 1.00 30.30 ? 84 THR B OG1 1 ATOM 1454 C CG2 . THR B 1 6 ? 44.644 5.292 -11.046 1.00 27.91 ? 84 THR B CG2 1 ATOM 1455 N N . TYR B 1 7 ? 44.315 4.921 -14.323 1.00 25.79 ? 85 TYR B N 1 ATOM 1456 C CA . TYR B 1 7 ? 45.210 5.187 -15.455 1.00 25.63 ? 85 TYR B CA 1 ATOM 1457 C C . TYR B 1 7 ? 46.012 6.469 -15.251 1.00 26.16 ? 85 TYR B C 1 ATOM 1458 O O . TYR B 1 7 ? 45.492 7.450 -14.702 1.00 25.44 ? 85 TYR B O 1 ATOM 1459 C CB . TYR B 1 7 ? 44.418 5.310 -16.769 1.00 25.39 ? 85 TYR B CB 1 ATOM 1460 C CG . TYR B 1 7 ? 43.984 3.976 -17.336 1.00 24.63 ? 85 TYR B CG 1 ATOM 1461 C CD1 . TYR B 1 7 ? 42.810 3.366 -16.903 1.00 22.41 ? 85 TYR B CD1 1 ATOM 1462 C CD2 . TYR B 1 7 ? 44.753 3.322 -18.296 1.00 23.35 ? 85 TYR B CD2 1 ATOM 1463 C CE1 . TYR B 1 7 ? 42.400 2.144 -17.418 1.00 22.60 ? 85 TYR B CE1 1 ATOM 1464 C CE2 . TYR B 1 7 ? 44.357 2.089 -18.821 1.00 24.32 ? 85 TYR B CE2 1 ATOM 1465 C CZ . TYR B 1 7 ? 43.179 1.506 -18.370 1.00 23.80 ? 85 TYR B CZ 1 ATOM 1466 O OH . TYR B 1 7 ? 42.778 0.291 -18.875 1.00 23.74 ? 85 TYR B OH 1 ATOM 1467 N N . ILE B 1 8 ? 47.263 6.440 -15.715 1.00 26.38 ? 86 ILE B N 1 ATOM 1468 C CA . ILE B 1 8 ? 48.132 7.612 -15.739 1.00 27.02 ? 86 ILE B CA 1 ATOM 1469 C C . ILE B 1 8 ? 48.220 8.152 -17.162 1.00 27.01 ? 86 ILE B C 1 ATOM 1470 O O . ILE B 1 8 ? 48.519 7.409 -18.111 1.00 26.73 ? 86 ILE B O 1 ATOM 1471 C CB . ILE B 1 8 ? 49.575 7.309 -15.270 1.00 27.24 ? 86 ILE B CB 1 ATOM 1472 C CG1 . ILE B 1 8 ? 49.605 6.528 -13.945 1.00 28.62 ? 86 ILE B CG1 1 ATOM 1473 C CG2 . ILE B 1 8 ? 50.399 8.600 -15.193 1.00 27.04 ? 86 ILE B CG2 1 ATOM 1474 C CD1 . ILE B 1 8 ? 48.970 7.213 -12.784 1.00 28.84 ? 86 ILE B CD1 1 ATOM 1475 N N . PHE B 1 9 ? 47.949 9.446 -17.290 1.00 26.66 ? 87 PHE B N 1 ATOM 1476 C CA . PHE B 1 9 ? 48.037 10.154 -18.554 1.00 26.78 ? 87 PHE B CA 1 ATOM 1477 C C . PHE B 1 9 ? 49.325 10.959 -18.549 1.00 27.13 ? 87 PHE B C 1 ATOM 1478 O O . PHE B 1 9 ? 49.543 11.796 -17.671 1.00 26.77 ? 87 PHE B O 1 ATOM 1479 C CB . PHE B 1 9 ? 46.803 11.047 -18.757 1.00 26.19 ? 87 PHE B CB 1 ATOM 1480 C CG . PHE B 1 9 ? 45.549 10.277 -19.072 1.00 26.06 ? 87 PHE B CG 1 ATOM 1481 C CD1 . PHE B 1 9 ? 44.864 9.582 -18.075 1.00 25.51 ? 87 PHE B CD1 1 ATOM 1482 C CD2 . PHE B 1 9 ? 45.054 10.237 -20.372 1.00 26.35 ? 87 PHE B CD2 1 ATOM 1483 C CE1 . PHE B 1 9 ? 43.716 8.851 -18.378 1.00 25.45 ? 87 PHE B CE1 1 ATOM 1484 C CE2 . PHE B 1 9 ? 43.906 9.518 -20.682 1.00 24.50 ? 87 PHE B CE2 1 ATOM 1485 C CZ . PHE B 1 9 ? 43.233 8.824 -19.681 1.00 25.91 ? 87 PHE B CZ 1 ATOM 1486 N N . GLY B 1 10 ? 50.192 10.662 -19.516 1.00 27.76 ? 88 GLY B N 1 ATOM 1487 C CA . GLY B 1 10 ? 51.536 11.237 -19.563 1.00 28.55 ? 88 GLY B CA 1 ATOM 1488 C C . GLY B 1 10 ? 51.602 12.641 -20.134 1.00 29.18 ? 88 GLY B C 1 ATOM 1489 O O . GLY B 1 10 ? 50.588 13.199 -20.569 1.00 29.13 ? 88 GLY B O 1 ATOM 1490 N N . LYS B 1 11 ? 52.813 13.196 -20.139 1.00 29.58 ? 89 LYS B N 1 ATOM 1491 C CA . LYS B 1 11 ? 53.082 14.541 -20.657 1.00 30.81 ? 89 LYS B CA 1 ATOM 1492 C C . LYS B 1 11 ? 52.552 14.785 -22.072 1.00 30.41 ? 89 LYS B C 1 ATOM 1493 O O . LYS B 1 11 ? 51.936 15.814 -22.331 1.00 30.80 ? 89 LYS B O 1 ATOM 1494 C CB . LYS B 1 11 ? 54.585 14.863 -20.592 1.00 30.58 ? 89 LYS B CB 1 ATOM 1495 C CG . LYS B 1 11 ? 54.877 16.351 -20.748 1.00 32.41 ? 89 LYS B CG 1 ATOM 1496 C CD . LYS B 1 11 ? 56.324 16.708 -20.459 1.00 32.15 ? 89 LYS B CD 1 ATOM 1497 C CE . LYS B 1 11 ? 56.473 18.222 -20.339 1.00 34.66 ? 89 LYS B CE 1 ATOM 1498 N NZ . LYS B 1 11 ? 57.886 18.676 -20.506 1.00 36.10 ? 89 LYS B NZ 1 ATOM 1499 N N . SER B 1 12 ? 52.786 13.834 -22.972 1.00 30.50 ? 90 SER B N 1 ATOM 1500 C CA . SER B 1 12 ? 52.348 13.954 -24.360 1.00 30.54 ? 90 SER B CA 1 ATOM 1501 C C . SER B 1 12 ? 50.855 13.661 -24.521 1.00 30.24 ? 90 SER B C 1 ATOM 1502 O O . SER B 1 12 ? 50.294 13.818 -25.612 1.00 30.25 ? 90 SER B O 1 ATOM 1503 C CB . SER B 1 12 ? 53.186 13.043 -25.265 1.00 30.90 ? 90 SER B CB 1 ATOM 1504 O OG . SER B 1 12 ? 52.880 11.682 -25.011 1.00 32.55 ? 90 SER B OG 1 ATOM 1505 N N . GLY B 1 13 ? 50.216 13.232 -23.434 1.00 29.70 ? 91 GLY B N 1 ATOM 1506 C CA . GLY B 1 13 ? 48.777 13.040 -23.414 1.00 28.79 ? 91 GLY B CA 1 ATOM 1507 C C . GLY B 1 13 ? 48.330 11.752 -24.071 1.00 28.52 ? 91 GLY B C 1 ATOM 1508 O O . GLY B 1 13 ? 49.072 11.125 -24.833 1.00 28.09 ? 91 GLY B O 1 ATOM 1509 N N . GLY B 1 14 ? 47.098 11.363 -23.784 1.00 28.18 ? 92 GLY B N 1 ATOM 1510 C CA . GLY B 1 14 ? 46.521 10.175 -24.400 1.00 27.50 ? 92 GLY B CA 1 ATOM 1511 C C . GLY B 1 14 ? 45.016 10.229 -24.426 1.00 27.39 ? 92 GLY B C 1 ATOM 1512 O O . GLY B 1 14 ? 44.412 11.228 -24.022 1.00 27.09 ? 92 GLY B O 1 ATOM 1513 N N . LEU B 1 15 ? 44.411 9.146 -24.909 1.00 27.29 ? 93 LEU B N 1 ATOM 1514 C CA . LEU B 1 15 ? 42.969 9.060 -24.996 1.00 27.11 ? 93 LEU B CA 1 ATOM 1515 C C . LEU B 1 15 ? 42.483 7.644 -24.734 1.00 26.67 ? 93 LEU B C 1 ATOM 1516 O O . LEU B 1 15 ? 43.018 6.681 -25.273 1.00 26.22 ? 93 LEU B O 1 ATOM 1517 C CB . LEU B 1 15 ? 42.480 9.526 -26.372 1.00 27.55 ? 93 LEU B CB 1 ATOM 1518 C CG . LEU B 1 15 ? 40.975 9.760 -26.546 1.00 28.38 ? 93 LEU B CG 1 ATOM 1519 C CD1 . LEU B 1 15 ? 40.544 11.057 -25.863 1.00 30.44 ? 93 LEU B CD1 1 ATOM 1520 C CD2 . LEU B 1 15 ? 40.634 9.796 -28.021 1.00 30.89 ? 93 LEU B CD2 1 ATOM 1521 N N . ILE B 1 16 ? 41.475 7.542 -23.880 1.00 26.17 ? 94 ILE B N 1 ATOM 1522 C CA . ILE B 1 16 ? 40.655 6.345 -23.776 1.00 26.16 ? 94 ILE B CA 1 ATOM 1523 C C . ILE B 1 16 ? 39.296 6.689 -24.359 1.00 26.31 ? 94 ILE B C 1 ATOM 1524 O O . ILE B 1 16 ? 38.629 7.632 -23.906 1.00 26.55 ? 94 ILE B O 1 ATOM 1525 C CB . ILE B 1 16 ? 40.497 5.872 -22.316 1.00 25.79 ? 94 ILE B CB 1 ATOM 1526 C CG1 . ILE B 1 16 ? 41.876 5.595 -21.687 1.00 25.77 ? 94 ILE B CG1 1 ATOM 1527 C CG2 . ILE B 1 16 ? 39.597 4.633 -22.252 1.00 25.21 ? 94 ILE B CG2 1 ATOM 1528 C CD1 . ILE B 1 16 ? 41.823 5.317 -20.195 1.00 26.07 ? 94 ILE B CD1 1 ATOM 1529 N N . LEU B 1 17 ? 38.888 5.930 -25.372 1.00 26.28 ? 95 LEU B N 1 ATOM 1530 C CA . LEU B 1 17 ? 37.654 6.224 -26.081 1.00 26.12 ? 95 LEU B CA 1 ATOM 1531 C C . LEU B 1 17 ? 36.663 5.066 -25.989 1.00 26.27 ? 95 LEU B C 1 ATOM 1532 O O . LEU B 1 17 ? 36.967 3.953 -26.408 1.00 26.32 ? 95 LEU B O 1 ATOM 1533 C CB . LEU B 1 17 ? 37.955 6.585 -27.543 1.00 26.01 ? 95 LEU B CB 1 ATOM 1534 C CG . LEU B 1 17 ? 36.784 7.007 -28.442 1.00 26.48 ? 95 LEU B CG 1 ATOM 1535 C CD1 . LEU B 1 17 ? 36.193 8.349 -28.012 1.00 24.89 ? 95 LEU B CD1 1 ATOM 1536 C CD2 . LEU B 1 17 ? 37.243 7.051 -29.892 1.00 27.04 ? 95 LEU B CD2 1 ATOM 1537 N N . TYR B 1 18 ? 35.488 5.336 -25.420 1.00 26.21 ? 96 TYR B N 1 ATOM 1538 C CA . TYR B 1 18 ? 34.393 4.370 -25.428 1.00 26.70 ? 96 TYR B CA 1 ATOM 1539 C C . TYR B 1 18 ? 33.364 4.774 -26.474 1.00 26.73 ? 96 TYR B C 1 ATOM 1540 O O . TYR B 1 18 ? 32.847 5.894 -26.436 1.00 26.32 ? 96 TYR B O 1 ATOM 1541 C CB . TYR B 1 18 ? 33.716 4.260 -24.053 1.00 27.00 ? 96 TYR B CB 1 ATOM 1542 C CG . TYR B 1 18 ? 32.577 3.264 -24.047 1.00 27.79 ? 96 TYR B CG 1 ATOM 1543 C CD1 . TYR B 1 18 ? 32.821 1.896 -23.903 1.00 28.25 ? 96 TYR B CD1 1 ATOM 1544 C CD2 . TYR B 1 18 ? 31.255 3.684 -24.214 1.00 27.68 ? 96 TYR B CD2 1 ATOM 1545 C CE1 . TYR B 1 18 ? 31.773 0.972 -23.925 1.00 29.51 ? 96 TYR B CE1 1 ATOM 1546 C CE2 . TYR B 1 18 ? 30.213 2.779 -24.228 1.00 28.64 ? 96 TYR B CE2 1 ATOM 1547 C CZ . TYR B 1 18 ? 30.478 1.426 -24.084 1.00 29.43 ? 96 TYR B CZ 1 ATOM 1548 O OH . TYR B 1 18 ? 29.441 0.530 -24.099 1.00 30.19 ? 96 TYR B OH 1 ATOM 1549 N N . THR B 1 19 ? 33.062 3.853 -27.385 1.00 26.47 ? 97 THR B N 1 ATOM 1550 C CA . THR B 1 19 ? 32.059 4.074 -28.421 1.00 26.73 ? 97 THR B CA 1 ATOM 1551 C C . THR B 1 19 ? 30.919 3.071 -28.228 1.00 26.72 ? 97 THR B C 1 ATOM 1552 O O . THR B 1 19 ? 31.132 1.858 -28.317 1.00 26.73 ? 97 THR B O 1 ATOM 1553 C CB . THR B 1 19 ? 32.675 3.957 -29.853 1.00 27.31 ? 97 THR B CB 1 ATOM 1554 O OG1 . THR B 1 19 ? 33.806 4.835 -29.970 1.00 27.98 ? 97 THR B OG1 1 ATOM 1555 C CG2 . THR B 1 19 ? 31.646 4.328 -30.941 1.00 26.67 ? 97 THR B CG2 1 ATOM 1556 N N . TRP B 1 20 ? 29.723 3.574 -27.922 1.00 26.46 ? 98 TRP B N 1 ATOM 1557 C CA . TRP B 1 20 ? 28.534 2.721 -27.814 1.00 26.70 ? 98 TRP B CA 1 ATOM 1558 C C . TRP B 1 20 ? 28.285 1.991 -29.128 1.00 26.95 ? 98 TRP B C 1 ATOM 1559 O O . TRP B 1 20 ? 28.393 2.596 -30.204 1.00 27.00 ? 98 TRP B O 1 ATOM 1560 C CB . TRP B 1 20 ? 27.279 3.539 -27.480 1.00 26.20 ? 98 TRP B CB 1 ATOM 1561 C CG . TRP B 1 20 ? 27.062 3.829 -26.022 1.00 26.41 ? 98 TRP B CG 1 ATOM 1562 C CD1 . TRP B 1 20 ? 26.483 3.003 -25.094 1.00 26.31 ? 98 TRP B CD1 1 ATOM 1563 C CD2 . TRP B 1 20 ? 27.395 5.041 -25.326 1.00 26.05 ? 98 TRP B CD2 1 ATOM 1564 N NE1 . TRP B 1 20 ? 26.446 3.623 -23.866 1.00 25.91 ? 98 TRP B NE1 1 ATOM 1565 C CE2 . TRP B 1 20 ? 26.996 4.874 -23.980 1.00 25.93 ? 98 TRP B CE2 1 ATOM 1566 C CE3 . TRP B 1 20 ? 27.986 6.254 -25.712 1.00 26.08 ? 98 TRP B CE3 1 ATOM 1567 C CZ2 . TRP B 1 20 ? 27.170 5.874 -23.016 1.00 25.39 ? 98 TRP B CZ2 1 ATOM 1568 C CZ3 . TRP B 1 20 ? 28.165 7.246 -24.751 1.00 26.14 ? 98 TRP B CZ3 1 ATOM 1569 C CH2 . TRP B 1 20 ? 27.758 7.048 -23.420 1.00 26.46 ? 98 TRP B CH2 1 ATOM 1570 N N . PRO B 1 21 ? 27.959 0.688 -29.051 1.00 27.43 ? 99 PRO B N 1 ATOM 1571 C CA . PRO B 1 21 ? 27.401 0.021 -30.227 1.00 27.86 ? 99 PRO B CA 1 ATOM 1572 C C . PRO B 1 21 ? 26.204 0.843 -30.702 1.00 28.27 ? 99 PRO B C 1 ATOM 1573 O O . PRO B 1 21 ? 25.472 1.378 -29.865 1.00 28.48 ? 99 PRO B O 1 ATOM 1574 C CB . PRO B 1 21 ? 26.966 -1.336 -29.675 1.00 27.96 ? 99 PRO B CB 1 ATOM 1575 C CG . PRO B 1 21 ? 27.919 -1.588 -28.542 1.00 27.59 ? 99 PRO B CG 1 ATOM 1576 C CD . PRO B 1 21 ? 28.103 -0.234 -27.907 1.00 27.32 ? 99 PRO B CD 1 ATOM 1577 N N . ALA B 1 22 ? 26.032 0.974 -32.017 1.00 28.83 ? 100 ALA B N 1 ATOM 1578 C CA . ALA B 1 22 ? 25.126 1.983 -32.594 1.00 29.12 ? 100 ALA B CA 1 ATOM 1579 C C . ALA B 1 22 ? 23.722 1.943 -32.007 1.00 29.42 ? 100 ALA B C 1 ATOM 1580 O O . ALA B 1 22 ? 23.142 2.983 -31.684 1.00 29.52 ? 100 ALA B O 1 ATOM 1581 C CB . ALA B 1 22 ? 25.071 1.861 -34.099 1.00 29.60 ? 100 ALA B CB 1 ATOM 1582 N N . ASN B 1 23 ? 23.190 0.739 -31.842 1.00 29.66 ? 101 ASN B N 1 ATOM 1583 C CA . ASN B 1 23 ? 21.844 0.582 -31.315 1.00 29.83 ? 101 ASN B CA 1 ATOM 1584 C C . ASN B 1 23 ? 21.722 0.786 -29.798 1.00 29.59 ? 101 ASN B C 1 ATOM 1585 O O . ASN B 1 23 ? 20.614 0.935 -29.285 1.00 29.72 ? 101 ASN B O 1 ATOM 1586 C CB . ASN B 1 23 ? 21.251 -0.761 -31.755 1.00 30.24 ? 101 ASN B CB 1 ATOM 1587 C CG . ASN B 1 23 ? 19.756 -0.701 -31.920 1.00 31.08 ? 101 ASN B CG 1 ATOM 1588 O OD1 . ASN B 1 23 ? 19.219 0.269 -32.457 1.00 31.77 ? 101 ASN B OD1 1 ATOM 1589 N ND2 . ASN B 1 23 ? 19.065 -1.738 -31.454 1.00 33.54 ? 101 ASN B ND2 1 ATOM 1590 N N . ASP B 1 24 ? 22.857 0.817 -29.093 1.00 29.20 ? 102 ASP B N 1 ATOM 1591 C CA . ASP B 1 24 ? 22.874 1.022 -27.636 1.00 28.95 ? 102 ASP B CA 1 ATOM 1592 C C . ASP B 1 24 ? 23.072 2.482 -27.203 1.00 28.29 ? 102 ASP B C 1 ATOM 1593 O O . ASP B 1 24 ? 23.068 2.789 -26.007 1.00 28.12 ? 102 ASP B O 1 ATOM 1594 C CB . ASP B 1 24 ? 23.950 0.142 -26.988 1.00 29.55 ? 102 ASP B CB 1 ATOM 1595 C CG . ASP B 1 24 ? 23.651 -1.344 -27.119 1.00 30.71 ? 102 ASP B CG 1 ATOM 1596 O OD1 . ASP B 1 24 ? 22.504 -1.712 -27.459 1.00 31.79 ? 102 ASP B OD1 1 ATOM 1597 O OD2 . ASP B 1 24 ? 24.574 -2.146 -26.881 1.00 33.59 ? 102 ASP B OD2 1 ATOM 1598 N N . ARG B 1 25 ? 23.250 3.372 -28.176 1.00 27.40 ? 103 ARG B N 1 ATOM 1599 C CA . ARG B 1 25 ? 23.400 4.809 -27.919 1.00 26.26 ? 103 ARG B CA 1 ATOM 1600 C C . ARG B 1 25 ? 22.240 5.321 -27.069 1.00 25.84 ? 103 ARG B C 1 ATOM 1601 O O . ARG B 1 25 ? 21.104 5.319 -27.526 1.00 25.67 ? 103 ARG B O 1 ATOM 1602 C CB . ARG B 1 25 ? 23.448 5.575 -29.238 1.00 26.05 ? 103 ARG B CB 1 ATOM 1603 C CG . ARG B 1 25 ? 24.712 5.350 -30.043 1.00 24.79 ? 103 ARG B CG 1 ATOM 1604 C CD . ARG B 1 25 ? 24.545 5.953 -31.416 1.00 26.27 ? 103 ARG B CD 1 ATOM 1605 N NE . ARG B 1 25 ? 25.764 5.868 -32.215 1.00 25.46 ? 103 ARG B NE 1 ATOM 1606 C CZ . ARG B 1 25 ? 25.814 6.076 -33.522 1.00 26.89 ? 103 ARG B CZ 1 ATOM 1607 N NH1 . ARG B 1 25 ? 24.705 6.351 -34.205 1.00 26.35 ? 103 ARG B NH1 1 ATOM 1608 N NH2 . ARG B 1 25 ? 26.975 5.975 -34.159 1.00 27.82 ? 103 ARG B NH2 1 ATOM 1609 N N . PRO B 1 26 ? 22.518 5.739 -25.820 1.00 25.46 ? 104 PRO B N 1 ATOM 1610 C CA . PRO B 1 26 ? 21.421 6.110 -24.912 1.00 25.74 ? 104 PRO B CA 1 ATOM 1611 C C . PRO B 1 26 ? 20.971 7.566 -25.021 1.00 25.73 ? 104 PRO B C 1 ATOM 1612 O O . PRO B 1 26 ? 21.747 8.432 -25.408 1.00 25.76 ? 104 PRO B O 1 ATOM 1613 C CB . PRO B 1 26 ? 22.029 5.866 -23.528 1.00 25.34 ? 104 PRO B CB 1 ATOM 1614 C CG . PRO B 1 26 ? 23.491 6.146 -23.711 1.00 25.60 ? 104 PRO B CG 1 ATOM 1615 C CD . PRO B 1 26 ? 23.835 5.857 -25.167 1.00 25.34 ? 104 PRO B CD 1 ATOM 1616 N N . SER B 1 27 ? 19.712 7.811 -24.680 1.00 26.08 ? 105 SER B N 1 ATOM 1617 C CA . SER B 1 27 ? 19.183 9.156 -24.543 1.00 25.88 ? 105 SER B CA 1 ATOM 1618 C C . SER B 1 27 ? 18.643 9.236 -23.129 1.00 26.53 ? 105 SER B C 1 ATOM 1619 O O . SER B 1 27 ? 17.834 8.387 -22.723 1.00 26.35 ? 105 SER B O 1 ATOM 1620 C CB . SER B 1 27 ? 18.074 9.411 -25.567 1.00 26.03 ? 105 SER B CB 1 ATOM 1621 O OG . SER B 1 27 ? 18.581 9.359 -26.886 1.00 25.16 ? 105 SER B OG 1 ATOM 1622 N N . THR B 1 28 ? 19.095 10.236 -22.374 1.00 26.63 ? 106 THR B N 1 ATOM 1623 C CA . THR B 1 28 ? 18.750 10.335 -20.956 1.00 27.29 ? 106 THR B CA 1 ATOM 1624 C C . THR B 1 28 ? 18.153 11.678 -20.518 1.00 27.87 ? 106 THR B C 1 ATOM 1625 O O . THR B 1 28 ? 18.451 12.732 -21.091 1.00 27.71 ? 106 THR B O 1 ATOM 1626 C CB . THR B 1 28 ? 19.975 10.036 -20.058 1.00 27.35 ? 106 THR B CB 1 ATOM 1627 O OG1 . THR B 1 28 ? 21.036 10.933 -20.392 1.00 27.49 ? 106 THR B OG1 1 ATOM 1628 C CG2 . THR B 1 28 ? 20.458 8.587 -20.244 1.00 26.80 ? 106 THR B CG2 1 ATOM 1629 N N . ARG B 1 29 ? 17.303 11.594 -19.494 1.00 28.15 ? 107 ARG B N 1 ATOM 1630 C CA A ARG B 1 29 ? 16.732 12.767 -18.843 0.67 28.68 ? 107 ARG B CA 1 ATOM 1631 C CA B ARG B 1 29 ? 16.711 12.745 -18.822 0.33 28.50 ? 107 ARG B CA 1 ATOM 1632 C C . ARG B 1 29 ? 17.660 13.228 -17.724 1.00 28.52 ? 107 ARG B C 1 ATOM 1633 O O . ARG B 1 29 ? 17.672 14.400 -17.363 1.00 28.54 ? 107 ARG B O 1 ATOM 1634 C CB A ARG B 1 29 ? 15.356 12.439 -18.264 0.67 28.76 ? 107 ARG B CB 1 ATOM 1635 C CB B ARG B 1 29 ? 15.380 12.325 -18.193 0.33 28.58 ? 107 ARG B CB 1 ATOM 1636 C CG A ARG B 1 29 ? 14.377 11.870 -19.278 0.67 30.73 ? 107 ARG B CG 1 ATOM 1637 C CG B ARG B 1 29 ? 14.444 13.457 -17.802 0.33 29.50 ? 107 ARG B CG 1 ATOM 1638 C CD A ARG B 1 29 ? 12.986 11.747 -18.702 0.67 32.58 ? 107 ARG B CD 1 ATOM 1639 C CD B ARG B 1 29 ? 13.461 13.788 -18.926 0.33 31.46 ? 107 ARG B CD 1 ATOM 1640 N NE A ARG B 1 29 ? 12.003 11.505 -19.755 0.67 35.09 ? 107 ARG B NE 1 ATOM 1641 N NE B ARG B 1 29 ? 12.212 14.357 -18.420 0.33 32.40 ? 107 ARG B NE 1 ATOM 1642 C CZ A ARG B 1 29 ? 11.420 12.461 -20.476 0.67 36.54 ? 107 ARG B CZ 1 ATOM 1643 C CZ B ARG B 1 29 ? 12.075 15.602 -17.971 0.33 33.25 ? 107 ARG B CZ 1 ATOM 1644 N NH1 A ARG B 1 29 ? 11.715 13.742 -20.264 0.67 37.24 ? 107 ARG B NH1 1 ATOM 1645 N NH1 B ARG B 1 29 ? 13.116 16.422 -17.949 0.33 33.53 ? 107 ARG B NH1 1 ATOM 1646 N NH2 A ARG B 1 29 ? 10.538 12.136 -21.413 0.67 36.76 ? 107 ARG B NH2 1 ATOM 1647 N NH2 B ARG B 1 29 ? 10.897 16.028 -17.531 0.33 33.49 ? 107 ARG B NH2 1 ATOM 1648 N N . SER B 1 30 ? 18.443 12.298 -17.186 1.00 28.29 ? 108 SER B N 1 ATOM 1649 C CA . SER B 1 30 ? 19.378 12.616 -16.116 1.00 28.74 ? 108 SER B CA 1 ATOM 1650 C C . SER B 1 30 ? 20.686 11.859 -16.301 1.00 28.47 ? 108 SER B C 1 ATOM 1651 O O . SER B 1 30 ? 20.701 10.760 -16.867 1.00 27.95 ? 108 SER B O 1 ATOM 1652 C CB . SER B 1 30 ? 18.749 12.319 -14.748 1.00 28.98 ? 108 SER B CB 1 ATOM 1653 O OG . SER B 1 30 ? 18.539 10.927 -14.576 1.00 31.42 ? 108 SER B OG 1 ATOM 1654 N N . ASP B 1 31 ? 21.783 12.466 -15.858 1.00 27.62 ? 109 ASP B N 1 ATOM 1655 C CA . ASP B 1 31 ? 23.086 11.814 -15.894 1.00 28.19 ? 109 ASP B CA 1 ATOM 1656 C C . ASP B 1 31 ? 23.804 11.970 -14.559 1.00 28.37 ? 109 ASP B C 1 ATOM 1657 O O . ASP B 1 31 ? 23.550 12.908 -13.801 1.00 28.13 ? 109 ASP B O 1 ATOM 1658 C CB . ASP B 1 31 ? 23.978 12.358 -17.034 1.00 27.85 ? 109 ASP B CB 1 ATOM 1659 C CG . ASP B 1 31 ? 23.317 12.261 -18.397 1.00 28.66 ? 109 ASP B CG 1 ATOM 1660 O OD1 . ASP B 1 31 ? 23.111 11.126 -18.904 1.00 28.65 ? 109 ASP B OD1 1 ATOM 1661 O OD2 . ASP B 1 31 ? 22.990 13.330 -18.953 1.00 28.46 ? 109 ASP B OD2 1 ATOM 1662 N N . ARG B 1 32 ? 24.682 11.023 -14.275 1.00 28.51 ? 110 ARG B N 1 ATOM 1663 C CA A ARG B 1 32 ? 25.544 11.109 -13.107 0.65 29.06 ? 110 ARG B CA 1 ATOM 1664 C CA B ARG B 1 32 ? 25.535 11.087 -13.101 0.35 28.98 ? 110 ARG B CA 1 ATOM 1665 C C . ARG B 1 32 ? 26.960 10.758 -13.522 1.00 28.92 ? 110 ARG B C 1 ATOM 1666 O O . ARG B 1 32 ? 27.192 9.721 -14.144 1.00 28.99 ? 110 ARG B O 1 ATOM 1667 C CB A ARG B 1 32 ? 25.049 10.196 -11.978 0.65 28.93 ? 110 ARG B CB 1 ATOM 1668 C CB B ARG B 1 32 ? 25.034 10.110 -12.037 0.35 28.93 ? 110 ARG B CB 1 ATOM 1669 C CG A ARG B 1 32 ? 25.892 10.306 -10.708 0.65 30.11 ? 110 ARG B CG 1 ATOM 1670 C CG B ARG B 1 32 ? 25.644 10.318 -10.663 0.35 29.88 ? 110 ARG B CG 1 ATOM 1671 C CD A ARG B 1 32 ? 25.095 9.983 -9.442 0.65 29.55 ? 110 ARG B CD 1 ATOM 1672 C CD B ARG B 1 32 ? 24.728 9.816 -9.553 0.35 30.03 ? 110 ARG B CD 1 ATOM 1673 N NE A ARG B 1 32 ? 24.608 8.600 -9.428 0.65 29.36 ? 110 ARG B NE 1 ATOM 1674 N NE B ARG B 1 32 ? 24.634 8.356 -9.502 0.35 29.80 ? 110 ARG B NE 1 ATOM 1675 C CZ A ARG B 1 32 ? 25.267 7.575 -8.893 0.65 28.60 ? 110 ARG B CZ 1 ATOM 1676 C CZ B ARG B 1 32 ? 23.649 7.635 -10.034 0.35 29.66 ? 110 ARG B CZ 1 ATOM 1677 N NH1 A ARG B 1 32 ? 26.458 7.759 -8.329 0.65 28.92 ? 110 ARG B NH1 1 ATOM 1678 N NH1 B ARG B 1 32 ? 22.648 8.221 -10.682 0.35 29.22 ? 110 ARG B NH1 1 ATOM 1679 N NH2 A ARG B 1 32 ? 24.736 6.363 -8.927 0.65 27.03 ? 110 ARG B NH2 1 ATOM 1680 N NH2 B ARG B 1 32 ? 23.670 6.316 -9.919 0.35 29.47 ? 110 ARG B NH2 1 ATOM 1681 N N . LEU B 1 33 ? 27.895 11.649 -13.188 1.00 28.97 ? 111 LEU B N 1 ATOM 1682 C CA . LEU B 1 33 ? 29.301 11.508 -13.557 1.00 29.15 ? 111 LEU B CA 1 ATOM 1683 C C . LEU B 1 33 ? 30.198 11.742 -12.332 1.00 29.19 ? 111 LEU B C 1 ATOM 1684 O O . LEU B 1 33 ? 29.995 12.689 -11.571 1.00 29.32 ? 111 LEU B O 1 ATOM 1685 C CB . LEU B 1 33 ? 29.667 12.479 -14.701 1.00 29.01 ? 111 LEU B CB 1 ATOM 1686 C CG . LEU B 1 33 ? 31.143 12.615 -15.117 1.00 28.92 ? 111 LEU B CG 1 ATOM 1687 C CD1 . LEU B 1 33 ? 31.634 11.394 -15.871 1.00 30.23 ? 111 LEU B CD1 1 ATOM 1688 C CD2 . LEU B 1 33 ? 31.399 13.883 -15.951 1.00 29.98 ? 111 LEU B CD2 1 ATOM 1689 N N . ALA B 1 34 ? 31.168 10.852 -12.137 1.00 28.63 ? 112 ALA B N 1 ATOM 1690 C CA . ALA B 1 34 ? 32.135 10.983 -11.057 1.00 28.35 ? 112 ALA B CA 1 ATOM 1691 C C . ALA B 1 34 ? 33.458 10.344 -11.453 1.00 28.27 ? 112 ALA B C 1 ATOM 1692 O O . ALA B 1 34 ? 33.479 9.346 -12.170 1.00 28.04 ? 112 ALA B O 1 ATOM 1693 C CB . ALA B 1 34 ? 31.596 10.361 -9.769 1.00 27.81 ? 112 ALA B CB 1 ATOM 1694 N N . VAL B 1 35 ? 34.554 10.936 -10.986 1.00 28.13 ? 113 VAL B N 1 ATOM 1695 C CA . VAL B 1 35 ? 35.901 10.413 -11.228 1.00 28.26 ? 113 VAL B CA 1 ATOM 1696 C C . VAL B 1 35 ? 36.827 10.927 -10.125 1.00 28.17 ? 113 VAL B C 1 ATOM 1697 O O . VAL B 1 35 ? 36.624 12.030 -9.598 1.00 28.33 ? 113 VAL B O 1 ATOM 1698 C CB . VAL B 1 35 ? 36.436 10.780 -12.666 1.00 28.13 ? 113 VAL B CB 1 ATOM 1699 C CG1 . VAL B 1 35 ? 36.743 12.271 -12.786 1.00 28.79 ? 113 VAL B CG1 1 ATOM 1700 C CG2 . VAL B 1 35 ? 37.674 9.944 -13.046 1.00 27.30 ? 113 VAL B CG2 1 ATOM 1701 N N . GLY B 1 36 ? 37.803 10.105 -9.757 1.00 27.67 ? 114 GLY B N 1 ATOM 1702 C CA . GLY B 1 36 ? 38.899 10.524 -8.885 1.00 27.31 ? 114 GLY B CA 1 ATOM 1703 C C . GLY B 1 36 ? 40.051 10.957 -9.776 1.00 27.35 ? 114 GLY B C 1 ATOM 1704 O O . GLY B 1 36 ? 40.279 10.367 -10.844 1.00 27.53 ? 114 GLY B O 1 ATOM 1705 N N . PHE B 1 37 ? 40.776 11.988 -9.355 1.00 26.82 ? 115 PHE B N 1 ATOM 1706 C CA . PHE B 1 37 ? 41.872 12.522 -10.162 1.00 26.49 ? 115 PHE B CA 1 ATOM 1707 C C . PHE B 1 37 ? 42.954 13.172 -9.288 1.00 26.33 ? 115 PHE B C 1 ATOM 1708 O O . PHE B 1 37 ? 42.694 13.577 -8.144 1.00 25.61 ? 115 PHE B O 1 ATOM 1709 C CB . PHE B 1 37 ? 41.337 13.534 -11.199 1.00 26.61 ? 115 PHE B CB 1 ATOM 1710 C CG . PHE B 1 37 ? 40.741 14.777 -10.582 1.00 27.12 ? 115 PHE B CG 1 ATOM 1711 C CD1 . PHE B 1 37 ? 41.517 15.927 -10.415 1.00 27.15 ? 115 PHE B CD1 1 ATOM 1712 C CD2 . PHE B 1 37 ? 39.417 14.790 -10.152 1.00 27.26 ? 115 PHE B CD2 1 ATOM 1713 C CE1 . PHE B 1 37 ? 40.985 17.071 -9.837 1.00 27.25 ? 115 PHE B CE1 1 ATOM 1714 C CE2 . PHE B 1 37 ? 38.871 15.925 -9.551 1.00 27.07 ? 115 PHE B CE2 1 ATOM 1715 C CZ . PHE B 1 37 ? 39.651 17.068 -9.401 1.00 27.67 ? 115 PHE B CZ 1 ATOM 1716 N N . SER B 1 38 ? 44.160 13.232 -9.852 1.00 25.65 ? 116 SER B N 1 ATOM 1717 C CA A SER B 1 38 ? 45.264 13.987 -9.288 0.54 26.03 ? 116 SER B CA 1 ATOM 1718 C CA B SER B 1 38 ? 45.291 13.973 -9.289 0.46 25.94 ? 116 SER B CA 1 ATOM 1719 C C . SER B 1 38 ? 45.977 14.655 -10.457 1.00 25.92 ? 116 SER B C 1 ATOM 1720 O O . SER B 1 38 ? 46.304 14.001 -11.445 1.00 25.70 ? 116 SER B O 1 ATOM 1721 C CB A SER B 1 38 ? 46.215 13.062 -8.526 0.54 25.67 ? 116 SER B CB 1 ATOM 1722 C CB B SER B 1 38 ? 46.296 13.040 -8.604 0.46 25.61 ? 116 SER B CB 1 ATOM 1723 O OG A SER B 1 38 ? 47.382 13.751 -8.144 0.54 26.73 ? 116 SER B OG 1 ATOM 1724 O OG B SER B 1 38 ? 45.769 12.467 -7.428 0.46 26.08 ? 116 SER B OG 1 ATOM 1725 N N . THR B 1 39 ? 46.203 15.958 -10.355 1.00 25.98 ? 117 THR B N 1 ATOM 1726 C CA . THR B 1 39 ? 46.784 16.684 -11.477 1.00 26.18 ? 117 THR B CA 1 ATOM 1727 C C . THR B 1 39 ? 47.373 18.009 -11.049 1.00 26.00 ? 117 THR B C 1 ATOM 1728 O O . THR B 1 39 ? 46.996 18.552 -10.013 1.00 26.10 ? 117 THR B O 1 ATOM 1729 C CB . THR B 1 39 ? 45.718 16.935 -12.596 1.00 26.62 ? 117 THR B CB 1 ATOM 1730 O OG1 . THR B 1 39 ? 46.363 17.410 -13.780 1.00 26.27 ? 117 THR B OG1 1 ATOM 1731 C CG2 . THR B 1 39 ? 44.651 17.947 -12.151 1.00 26.12 ? 117 THR B CG2 1 ATOM 1732 N N . THR B 1 40 ? 48.300 18.519 -11.852 1.00 25.72 ? 118 THR B N 1 ATOM 1733 C CA . THR B 1 40 ? 48.794 19.883 -11.689 1.00 25.68 ? 118 THR B CA 1 ATOM 1734 C C . THR B 1 40 ? 48.507 20.780 -12.905 1.00 25.76 ? 118 THR B C 1 ATOM 1735 O O . THR B 1 40 ? 48.959 21.922 -12.940 1.00 24.98 ? 118 THR B O 1 ATOM 1736 C CB . THR B 1 40 ? 50.300 19.917 -11.371 1.00 25.53 ? 118 THR B CB 1 ATOM 1737 O OG1 . THR B 1 40 ? 51.019 19.214 -12.396 1.00 26.19 ? 118 THR B OG1 1 ATOM 1738 C CG2 . THR B 1 40 ? 50.576 19.283 -10.015 1.00 25.06 ? 118 THR B CG2 1 ATOM 1739 N N . VAL B 1 41 ? 47.736 20.282 -13.876 1.00 25.92 ? 119 VAL B N 1 ATOM 1740 C CA . VAL B 1 41 ? 47.474 21.046 -15.108 1.00 26.44 ? 119 VAL B CA 1 ATOM 1741 C C . VAL B 1 41 ? 46.630 22.282 -14.836 1.00 26.13 ? 119 VAL B C 1 ATOM 1742 O O . VAL B 1 41 ? 45.680 22.239 -14.059 1.00 26.15 ? 119 VAL B O 1 ATOM 1743 C CB . VAL B 1 41 ? 46.823 20.210 -16.266 1.00 26.17 ? 119 VAL B CB 1 ATOM 1744 C CG1 . VAL B 1 41 ? 47.722 19.061 -16.666 1.00 26.75 ? 119 VAL B CG1 1 ATOM 1745 C CG2 . VAL B 1 41 ? 45.404 19.734 -15.918 1.00 26.69 ? 119 VAL B CG2 1 ATOM 1746 N N . LYS B 1 42 ? 47.002 23.383 -15.473 1.00 25.92 ? 120 LYS B N 1 ATOM 1747 C CA . LYS B 1 42 ? 46.217 24.600 -15.403 1.00 26.45 ? 120 LYS B CA 1 ATOM 1748 C C . LYS B 1 42 ? 44.928 24.402 -16.202 1.00 26.58 ? 120 LYS B C 1 ATOM 1749 O O . LYS B 1 42 ? 43.864 24.870 -15.801 1.00 26.78 ? 120 LYS B O 1 ATOM 1750 C CB . LYS B 1 42 ? 47.029 25.779 -15.953 1.00 26.34 ? 120 LYS B CB 1 ATOM 1751 C CG . LYS B 1 42 ? 46.323 27.128 -15.854 1.00 27.30 ? 120 LYS B CG 1 ATOM 1752 C CD . LYS B 1 42 ? 47.277 28.283 -16.107 1.00 28.77 ? 120 LYS B CD 1 ATOM 1753 C CE . LYS B 1 42 ? 47.426 28.563 -17.592 1.00 30.15 ? 120 LYS B CE 1 ATOM 1754 N NZ . LYS B 1 42 ? 46.122 28.969 -18.188 1.00 31.40 ? 120 LYS B NZ 1 ATOM 1755 N N . ASP B 1 43 ? 45.039 23.673 -17.314 1.00 26.90 ? 121 ASP B N 1 ATOM 1756 C CA A ASP B 1 43 ? 43.943 23.524 -18.270 0.52 26.91 ? 121 ASP B CA 1 ATOM 1757 C CA B ASP B 1 43 ? 43.946 23.515 -18.262 0.48 26.91 ? 121 ASP B CA 1 ATOM 1758 C C . ASP B 1 43 ? 43.931 22.105 -18.849 1.00 27.06 ? 121 ASP B C 1 ATOM 1759 O O . ASP B 1 43 ? 44.971 21.563 -19.220 1.00 27.54 ? 121 ASP B O 1 ATOM 1760 C CB A ASP B 1 43 ? 44.059 24.556 -19.416 0.52 27.06 ? 121 ASP B CB 1 ATOM 1761 C CB B ASP B 1 43 ? 44.085 24.559 -19.378 0.48 27.07 ? 121 ASP B CB 1 ATOM 1762 C CG A ASP B 1 43 ? 44.049 26.017 -18.933 0.52 27.39 ? 121 ASP B CG 1 ATOM 1763 C CG B ASP B 1 43 ? 42.880 24.605 -20.294 0.48 27.31 ? 121 ASP B CG 1 ATOM 1764 O OD1 A ASP B 1 43 ? 43.000 26.517 -18.464 0.52 26.56 ? 121 ASP B OD1 1 ATOM 1765 O OD1 B ASP B 1 43 ? 42.675 23.643 -21.063 0.48 27.46 ? 121 ASP B OD1 1 ATOM 1766 O OD2 A ASP B 1 43 ? 45.094 26.690 -19.066 0.52 28.78 ? 121 ASP B OD2 1 ATOM 1767 O OD2 B ASP B 1 43 ? 42.146 25.613 -20.254 0.48 28.35 ? 121 ASP B OD2 1 ATOM 1768 N N . GLY B 1 44 ? 42.756 21.497 -18.931 1.00 26.86 ? 122 GLY B N 1 ATOM 1769 C CA . GLY B 1 44 ? 42.656 20.203 -19.591 1.00 27.02 ? 122 GLY B CA 1 ATOM 1770 C C . GLY B 1 44 ? 41.275 19.605 -19.542 1.00 27.15 ? 122 GLY B C 1 ATOM 1771 O O . GLY B 1 44 ? 40.529 19.822 -18.584 1.00 27.38 ? 122 GLY B O 1 ATOM 1772 N N . ILE B 1 45 ? 40.925 18.848 -20.576 1.00 27.31 ? 123 ILE B N 1 ATOM 1773 C CA . ILE B 1 45 ? 39.650 18.132 -20.565 1.00 27.22 ? 123 ILE B CA 1 ATOM 1774 C C . ILE B 1 45 ? 39.871 16.733 -20.007 1.00 26.91 ? 123 ILE B C 1 ATOM 1775 O O . ILE B 1 45 ? 40.750 16.016 -20.471 1.00 26.53 ? 123 ILE B O 1 ATOM 1776 C CB . ILE B 1 45 ? 38.970 18.083 -21.961 1.00 27.54 ? 123 ILE B CB 1 ATOM 1777 C CG1 . ILE B 1 45 ? 38.582 19.496 -22.426 1.00 27.76 ? 123 ILE B CG1 1 ATOM 1778 C CG2 . ILE B 1 45 ? 37.734 17.144 -21.921 1.00 27.43 ? 123 ILE B CG2 1 ATOM 1779 C CD1 . ILE B 1 45 ? 38.413 19.633 -23.931 1.00 29.16 ? 123 ILE B CD1 1 ATOM 1780 N N . LEU B 1 46 ? 39.076 16.364 -19.005 1.00 26.78 ? 124 LEU B N 1 ATOM 1781 C CA . LEU B 1 46 ? 39.162 15.036 -18.389 1.00 27.78 ? 124 LEU B CA 1 ATOM 1782 C C . LEU B 1 46 ? 38.268 14.022 -19.109 1.00 27.79 ? 124 LEU B C 1 ATOM 1783 O O . LEU B 1 46 ? 38.725 12.923 -19.461 1.00 27.37 ? 124 LEU B O 1 ATOM 1784 C CB . LEU B 1 46 ? 38.775 15.087 -16.908 1.00 27.20 ? 124 LEU B CB 1 ATOM 1785 C CG . LEU B 1 46 ? 39.802 15.636 -15.897 1.00 28.76 ? 124 LEU B CG 1 ATOM 1786 C CD1 . LEU B 1 46 ? 40.025 17.142 -16.054 1.00 27.49 ? 124 LEU B CD1 1 ATOM 1787 C CD2 . LEU B 1 46 ? 39.329 15.292 -14.480 1.00 28.40 ? 124 LEU B CD2 1 ATOM 1788 N N . VAL B 1 47 ? 36.998 14.392 -19.295 1.00 27.46 ? 125 VAL B N 1 ATOM 1789 C CA . VAL B 1 47 ? 35.988 13.508 -19.913 1.00 28.21 ? 125 VAL B CA 1 ATOM 1790 C C . VAL B 1 47 ? 35.066 14.347 -20.786 1.00 28.12 ? 125 VAL B C 1 ATOM 1791 O O . VAL B 1 47 ? 34.622 15.420 -20.355 1.00 28.77 ? 125 VAL B O 1 ATOM 1792 C CB . VAL B 1 47 ? 35.108 12.756 -18.855 1.00 28.52 ? 125 VAL B CB 1 ATOM 1793 C CG1 . VAL B 1 47 ? 34.202 11.713 -19.531 1.00 28.93 ? 125 VAL B CG1 1 ATOM 1794 C CG2 . VAL B 1 47 ? 35.962 12.075 -17.799 1.00 29.39 ? 125 VAL B CG2 1 ATOM 1795 N N . ARG B 1 48 ? 34.785 13.871 -22.002 1.00 27.55 ? 126 ARG B N 1 ATOM 1796 C CA . ARG B 1 48 ? 33.761 14.481 -22.842 1.00 27.58 ? 126 ARG B CA 1 ATOM 1797 C C . ARG B 1 48 ? 32.881 13.434 -23.524 1.00 27.50 ? 126 ARG B C 1 ATOM 1798 O O . ARG B 1 48 ? 33.371 12.553 -24.233 1.00 26.63 ? 126 ARG B O 1 ATOM 1799 C CB . ARG B 1 48 ? 34.353 15.433 -23.893 1.00 27.52 ? 126 ARG B CB 1 ATOM 1800 C CG . ARG B 1 48 ? 33.260 16.182 -24.683 1.00 27.65 ? 126 ARG B CG 1 ATOM 1801 C CD . ARG B 1 48 ? 33.839 17.120 -25.716 1.00 28.16 ? 126 ARG B CD 1 ATOM 1802 N NE . ARG B 1 48 ? 32.844 17.520 -26.715 1.00 28.86 ? 126 ARG B NE 1 ATOM 1803 C CZ . ARG B 1 48 ? 32.449 18.772 -26.947 1.00 29.09 ? 126 ARG B CZ 1 ATOM 1804 N NH1 . ARG B 1 48 ? 32.968 19.791 -26.269 1.00 28.92 ? 126 ARG B NH1 1 ATOM 1805 N NH2 . ARG B 1 48 ? 31.550 19.009 -27.895 1.00 28.99 ? 126 ARG B NH2 1 ATOM 1806 N N . ILE B 1 49 ? 31.578 13.553 -23.293 1.00 27.51 ? 127 ILE B N 1 ATOM 1807 C CA . ILE B 1 49 ? 30.591 12.711 -23.950 1.00 28.01 ? 127 ILE B CA 1 ATOM 1808 C C . ILE B 1 49 ? 29.985 13.541 -25.064 1.00 28.03 ? 127 ILE B C 1 ATOM 1809 O O . ILE B 1 49 ? 29.556 14.678 -24.840 1.00 27.20 ? 127 ILE B O 1 ATOM 1810 C CB . ILE B 1 49 ? 29.483 12.203 -22.977 1.00 28.03 ? 127 ILE B CB 1 ATOM 1811 C CG1 . ILE B 1 49 ? 30.093 11.459 -21.779 1.00 28.69 ? 127 ILE B CG1 1 ATOM 1812 C CG2 . ILE B 1 49 ? 28.504 11.265 -23.688 1.00 28.80 ? 127 ILE B CG2 1 ATOM 1813 C CD1 . ILE B 1 49 ? 30.316 12.307 -20.550 1.00 28.54 ? 127 ILE B CD1 1 ATOM 1814 N N . ASP B 1 50 ? 29.989 12.967 -26.265 1.00 27.72 ? 128 ASP B N 1 ATOM 1815 C CA . ASP B 1 50 ? 29.377 13.580 -27.437 1.00 28.24 ? 128 ASP B CA 1 ATOM 1816 C C . ASP B 1 50 ? 28.253 12.716 -27.986 1.00 27.52 ? 128 ASP B C 1 ATOM 1817 O O . ASP B 1 50 ? 28.363 11.474 -28.015 1.00 27.62 ? 128 ASP B O 1 ATOM 1818 C CB . ASP B 1 50 ? 30.416 13.796 -28.543 1.00 28.18 ? 128 ASP B CB 1 ATOM 1819 C CG . ASP B 1 50 ? 31.223 15.063 -28.343 1.00 29.66 ? 128 ASP B CG 1 ATOM 1820 O OD1 . ASP B 1 50 ? 30.739 16.151 -28.716 1.00 31.94 ? 128 ASP B OD1 1 ATOM 1821 O OD2 . ASP B 1 50 ? 32.346 14.971 -27.816 1.00 32.20 ? 128 ASP B OD2 1 ATOM 1822 N N . SER B 1 51 ? 27.191 13.388 -28.427 1.00 26.54 ? 129 SER B N 1 ATOM 1823 C CA A SER B 1 51 ? 26.099 12.739 -29.140 0.35 26.42 ? 129 SER B CA 1 ATOM 1824 C CA B SER B 1 51 ? 26.103 12.740 -29.143 0.65 26.18 ? 129 SER B CA 1 ATOM 1825 C C . SER B 1 51 ? 26.517 12.381 -30.566 1.00 26.35 ? 129 SER B C 1 ATOM 1826 O O . SER B 1 51 ? 27.554 12.844 -31.056 1.00 26.08 ? 129 SER B O 1 ATOM 1827 C CB A SER B 1 51 ? 24.868 13.645 -29.165 0.35 26.35 ? 129 SER B CB 1 ATOM 1828 C CB B SER B 1 51 ? 24.872 13.642 -29.167 0.65 26.02 ? 129 SER B CB 1 ATOM 1829 O OG A SER B 1 51 ? 25.099 14.800 -29.951 0.35 26.80 ? 129 SER B OG 1 ATOM 1830 O OG B SER B 1 51 ? 24.248 13.663 -27.897 0.65 25.68 ? 129 SER B OG 1 ATOM 1831 N N . ALA B 1 52 ? 25.706 11.555 -31.231 1.00 25.87 ? 130 ALA B N 1 ATOM 1832 C CA . ALA B 1 52 ? 25.955 11.189 -32.619 1.00 26.22 ? 130 ALA B CA 1 ATOM 1833 C C . ALA B 1 52 ? 26.040 12.455 -33.475 1.00 26.41 ? 130 ALA B C 1 ATOM 1834 O O . ALA B 1 52 ? 25.352 13.444 -33.186 1.00 26.41 ? 130 ALA B O 1 ATOM 1835 C CB . ALA B 1 52 ? 24.845 10.272 -33.136 1.00 25.98 ? 130 ALA B CB 1 ATOM 1836 N N . PRO B 1 53 ? 26.880 12.434 -34.530 1.00 26.40 ? 131 PRO B N 1 ATOM 1837 C CA . PRO B 1 53 ? 26.992 13.586 -35.432 1.00 26.50 ? 131 PRO B CA 1 ATOM 1838 C C . PRO B 1 53 ? 25.621 14.093 -35.899 1.00 26.52 ? 131 PRO B C 1 ATOM 1839 O O . PRO B 1 53 ? 24.757 13.290 -36.278 1.00 26.43 ? 131 PRO B O 1 ATOM 1840 C CB . PRO B 1 53 ? 27.764 13.022 -36.624 1.00 26.31 ? 131 PRO B CB 1 ATOM 1841 C CG . PRO B 1 53 ? 28.543 11.897 -36.074 1.00 26.59 ? 131 PRO B CG 1 ATOM 1842 C CD . PRO B 1 53 ? 27.767 11.326 -34.930 1.00 26.41 ? 131 PRO B CD 1 ATOM 1843 N N . GLY B 1 54 ? 25.439 15.414 -35.865 1.00 26.42 ? 132 GLY B N 1 ATOM 1844 C CA . GLY B 1 54 ? 24.187 16.049 -36.271 1.00 26.56 ? 132 GLY B CA 1 ATOM 1845 C C . GLY B 1 54 ? 23.293 16.492 -35.124 1.00 27.13 ? 132 GLY B C 1 ATOM 1846 O O . GLY B 1 54 ? 22.392 17.310 -35.317 1.00 27.29 ? 132 GLY B O 1 ATOM 1847 N N . LEU B 1 55 ? 23.529 15.947 -33.932 1.00 27.48 ? 133 LEU B N 1 ATOM 1848 C CA . LEU B 1 55 ? 22.709 16.259 -32.761 1.00 27.89 ? 133 LEU B CA 1 ATOM 1849 C C . LEU B 1 55 ? 23.266 17.417 -31.933 1.00 27.89 ? 133 LEU B C 1 ATOM 1850 O O . LEU B 1 55 ? 22.501 18.234 -31.420 1.00 27.84 ? 133 LEU B O 1 ATOM 1851 C CB . LEU B 1 55 ? 22.498 15.020 -31.884 1.00 28.21 ? 133 LEU B CB 1 ATOM 1852 C CG . LEU B 1 55 ? 21.483 14.041 -32.488 1.00 29.01 ? 133 LEU B CG 1 ATOM 1853 C CD1 . LEU B 1 55 ? 21.586 12.707 -31.829 1.00 29.72 ? 133 LEU B CD1 1 ATOM 1854 C CD2 . LEU B 1 55 ? 20.050 14.601 -32.383 1.00 30.47 ? 133 LEU B CD2 1 ATOM 1855 N N . GLY B 1 56 ? 24.590 17.488 -31.819 1.00 27.52 ? 134 GLY B N 1 ATOM 1856 C CA . GLY B 1 56 ? 25.244 18.637 -31.200 1.00 27.03 ? 134 GLY B CA 1 ATOM 1857 C C . GLY B 1 56 ? 25.436 18.547 -29.700 1.00 26.94 ? 134 GLY B C 1 ATOM 1858 O O . GLY B 1 56 ? 26.301 19.239 -29.149 1.00 26.78 ? 134 GLY B O 1 ATOM 1859 N N . ASP B 1 57 ? 24.643 17.698 -29.034 1.00 26.47 ? 135 ASP B N 1 ATOM 1860 C CA . ASP B 1 57 ? 24.673 17.594 -27.571 1.00 26.64 ? 135 ASP B CA 1 ATOM 1861 C C . ASP B 1 57 ? 26.021 17.101 -27.092 1.00 26.13 ? 135 ASP B C 1 ATOM 1862 O O . ASP B 1 57 ? 26.669 16.297 -27.766 1.00 26.19 ? 135 ASP B O 1 ATOM 1863 C CB . ASP B 1 57 ? 23.602 16.626 -27.039 1.00 26.29 ? 135 ASP B CB 1 ATOM 1864 C CG . ASP B 1 57 ? 22.189 17.022 -27.422 1.00 27.59 ? 135 ASP B CG 1 ATOM 1865 O OD1 . ASP B 1 57 ? 22.002 18.006 -28.170 1.00 28.67 ? 135 ASP B OD1 1 ATOM 1866 O OD2 . ASP B 1 57 ? 21.259 16.327 -26.961 1.00 26.16 ? 135 ASP B OD2 1 ATOM 1867 N N . PHE B 1 58 ? 26.421 17.570 -25.916 1.00 26.28 ? 136 PHE B N 1 ATOM 1868 C CA . PHE B 1 58 ? 27.686 17.167 -25.315 1.00 26.50 ? 136 PHE B CA 1 ATOM 1869 C C . PHE B 1 58 ? 27.680 17.428 -23.816 1.00 26.65 ? 136 PHE B C 1 ATOM 1870 O O . PHE B 1 58 ? 26.875 18.207 -23.308 1.00 26.25 ? 136 PHE B O 1 ATOM 1871 C CB . PHE B 1 58 ? 28.883 17.867 -25.994 1.00 26.38 ? 136 PHE B CB 1 ATOM 1872 C CG . PHE B 1 58 ? 28.983 19.345 -25.696 1.00 26.84 ? 136 PHE B CG 1 ATOM 1873 C CD1 . PHE B 1 58 ? 28.392 20.280 -26.537 1.00 27.68 ? 136 PHE B CD1 1 ATOM 1874 C CD2 . PHE B 1 58 ? 29.654 19.798 -24.554 1.00 28.18 ? 136 PHE B CD2 1 ATOM 1875 C CE1 . PHE B 1 58 ? 28.487 21.654 -26.261 1.00 26.56 ? 136 PHE B CE1 1 ATOM 1876 C CE2 . PHE B 1 58 ? 29.742 21.161 -24.271 1.00 27.44 ? 136 PHE B CE2 1 ATOM 1877 C CZ . PHE B 1 58 ? 29.158 22.083 -25.122 1.00 27.28 ? 136 PHE B CZ 1 ATOM 1878 N N . LEU B 1 59 ? 28.597 16.765 -23.122 1.00 27.01 ? 137 LEU B N 1 ATOM 1879 C CA . LEU B 1 59 ? 28.793 16.959 -21.704 1.00 27.54 ? 137 LEU B CA 1 ATOM 1880 C C . LEU B 1 59 ? 30.291 16.829 -21.472 1.00 27.62 ? 137 LEU B C 1 ATOM 1881 O O . LEU B 1 59 ? 30.888 15.783 -21.763 1.00 27.29 ? 137 LEU B O 1 ATOM 1882 C CB . LEU B 1 59 ? 27.992 15.917 -20.909 1.00 27.51 ? 137 LEU B CB 1 ATOM 1883 C CG . LEU B 1 59 ? 27.894 15.969 -19.373 1.00 28.77 ? 137 LEU B CG 1 ATOM 1884 C CD1 . LEU B 1 59 ? 26.813 14.995 -18.903 1.00 27.62 ? 137 LEU B CD1 1 ATOM 1885 C CD2 . LEU B 1 59 ? 29.223 15.636 -18.705 1.00 29.82 ? 137 LEU B CD2 1 ATOM 1886 N N . GLN B 1 60 ? 30.893 17.910 -20.980 1.00 26.93 ? 138 GLN B N 1 ATOM 1887 C CA . GLN B 1 60 ? 32.342 18.016 -20.867 1.00 26.94 ? 138 GLN B CA 1 ATOM 1888 C C . GLN B 1 60 ? 32.797 18.385 -19.449 1.00 26.76 ? 138 GLN B C 1 ATOM 1889 O O . GLN B 1 60 ? 32.442 19.449 -18.919 1.00 27.01 ? 138 GLN B O 1 ATOM 1890 C CB . GLN B 1 60 ? 32.849 19.055 -21.877 1.00 26.48 ? 138 GLN B CB 1 ATOM 1891 C CG . GLN B 1 60 ? 34.331 19.345 -21.816 1.00 25.57 ? 138 GLN B CG 1 ATOM 1892 C CD . GLN B 1 60 ? 34.767 20.315 -22.880 1.00 27.22 ? 138 GLN B CD 1 ATOM 1893 O OE1 . GLN B 1 60 ? 34.737 20.001 -24.070 1.00 28.92 ? 138 GLN B OE1 1 ATOM 1894 N NE2 . GLN B 1 60 ? 35.200 21.496 -22.462 1.00 26.44 ? 138 GLN B NE2 1 ATOM 1895 N N . LEU B 1 61 ? 33.585 17.501 -18.849 1.00 26.36 ? 139 LEU B N 1 ATOM 1896 C CA . LEU B 1 61 ? 34.245 17.759 -17.570 1.00 26.03 ? 139 LEU B CA 1 ATOM 1897 C C . LEU B 1 61 ? 35.667 18.237 -17.833 1.00 26.70 ? 139 LEU B C 1 ATOM 1898 O O . LEU B 1 61 ? 36.470 17.525 -18.466 1.00 26.77 ? 139 LEU B O 1 ATOM 1899 C CB . LEU B 1 61 ? 34.265 16.487 -16.696 1.00 25.93 ? 139 LEU B CB 1 ATOM 1900 C CG . LEU B 1 61 ? 35.065 16.509 -15.376 1.00 26.03 ? 139 LEU B CG 1 ATOM 1901 C CD1 . LEU B 1 61 ? 34.423 17.417 -14.309 1.00 25.57 ? 139 LEU B CD1 1 ATOM 1902 C CD2 . LEU B 1 61 ? 35.221 15.088 -14.842 1.00 25.51 ? 139 LEU B CD2 1 ATOM 1903 N N . HIS B 1 62 ? 35.995 19.428 -17.343 1.00 27.27 ? 140 HIS B N 1 ATOM 1904 C CA . HIS B 1 62 ? 37.301 20.019 -17.643 1.00 28.18 ? 140 HIS B CA 1 ATOM 1905 C C . HIS B 1 62 ? 37.852 20.884 -16.511 1.00 27.89 ? 140 HIS B C 1 ATOM 1906 O O . HIS B 1 62 ? 37.140 21.257 -15.580 1.00 27.48 ? 140 HIS B O 1 ATOM 1907 C CB . HIS B 1 62 ? 37.260 20.801 -18.972 1.00 28.75 ? 140 HIS B CB 1 ATOM 1908 C CG . HIS B 1 62 ? 36.341 21.984 -18.957 1.00 31.95 ? 140 HIS B CG 1 ATOM 1909 N ND1 . HIS B 1 62 ? 35.020 21.902 -18.570 1.00 36.94 ? 140 HIS B ND1 1 ATOM 1910 C CD2 . HIS B 1 62 ? 36.547 23.273 -19.295 1.00 34.85 ? 140 HIS B CD2 1 ATOM 1911 C CE1 . HIS B 1 62 ? 34.459 23.093 -18.651 1.00 35.47 ? 140 HIS B CE1 1 ATOM 1912 N NE2 . HIS B 1 62 ? 35.361 23.941 -19.102 1.00 36.88 ? 140 HIS B NE2 1 ATOM 1913 N N . ILE B 1 63 ? 39.138 21.179 -16.603 1.00 28.24 ? 141 ILE B N 1 ATOM 1914 C CA . ILE B 1 63 ? 39.788 22.115 -15.697 1.00 27.96 ? 141 ILE B CA 1 ATOM 1915 C C . ILE B 1 63 ? 40.199 23.335 -16.520 1.00 28.43 ? 141 ILE B C 1 ATOM 1916 O O . ILE B 1 63 ? 40.762 23.188 -17.606 1.00 28.01 ? 141 ILE B O 1 ATOM 1917 C CB . ILE B 1 63 ? 40.993 21.456 -14.978 1.00 27.91 ? 141 ILE B CB 1 ATOM 1918 C CG1 . ILE B 1 63 ? 40.502 20.383 -13.987 1.00 27.61 ? 141 ILE B CG1 1 ATOM 1919 C CG2 . ILE B 1 63 ? 41.847 22.496 -14.269 1.00 26.55 ? 141 ILE B CG2 1 ATOM 1920 C CD1 . ILE B 1 63 ? 41.605 19.428 -13.494 1.00 27.65 ? 141 ILE B CD1 1 ATOM 1921 N N . GLU B 1 64 ? 39.880 24.523 -16.003 1.00 28.88 ? 142 GLU B N 1 ATOM 1922 C CA . GLU B 1 64 ? 40.221 25.802 -16.617 1.00 30.17 ? 142 GLU B CA 1 ATOM 1923 C C . GLU B 1 64 ? 40.753 26.698 -15.521 1.00 28.80 ? 142 GLU B C 1 ATOM 1924 O O . GLU B 1 64 ? 40.076 26.901 -14.503 1.00 28.57 ? 142 GLU B O 1 ATOM 1925 C CB . GLU B 1 64 ? 38.989 26.473 -17.226 1.00 30.25 ? 142 GLU B CB 1 ATOM 1926 C CG . GLU B 1 64 ? 38.464 25.842 -18.505 1.00 33.50 ? 142 GLU B CG 1 ATOM 1927 C CD . GLU B 1 64 ? 37.349 26.679 -19.148 1.00 34.73 ? 142 GLU B CD 1 ATOM 1928 O OE1 . GLU B 1 64 ? 36.480 27.203 -18.401 1.00 38.80 ? 142 GLU B OE1 1 ATOM 1929 O OE2 . GLU B 1 64 ? 37.353 26.820 -20.398 1.00 40.03 ? 142 GLU B OE2 1 ATOM 1930 N N . GLN B 1 65 ? 41.953 27.241 -15.736 1.00 28.21 ? 143 GLN B N 1 ATOM 1931 C CA A GLN B 1 65 ? 42.650 28.048 -14.730 0.44 28.10 ? 143 GLN B CA 1 ATOM 1932 C CA B GLN B 1 65 ? 42.637 28.049 -14.724 0.56 28.04 ? 143 GLN B CA 1 ATOM 1933 C C . GLN B 1 65 ? 42.725 27.299 -13.392 1.00 27.70 ? 143 GLN B C 1 ATOM 1934 O O . GLN B 1 65 ? 42.527 27.877 -12.327 1.00 26.99 ? 143 GLN B O 1 ATOM 1935 C CB A GLN B 1 65 ? 41.989 29.426 -14.563 0.44 28.06 ? 143 GLN B CB 1 ATOM 1936 C CB B GLN B 1 65 ? 41.945 29.408 -14.537 0.56 28.13 ? 143 GLN B CB 1 ATOM 1937 C CG A GLN B 1 65 ? 42.303 30.421 -15.677 0.44 28.92 ? 143 GLN B CG 1 ATOM 1938 C CG B GLN B 1 65 ? 41.933 30.284 -15.774 0.56 29.52 ? 143 GLN B CG 1 ATOM 1939 C CD A GLN B 1 65 ? 41.344 31.606 -15.707 0.44 28.81 ? 143 GLN B CD 1 ATOM 1940 C CD B GLN B 1 65 ? 43.322 30.532 -16.327 0.56 30.28 ? 143 GLN B CD 1 ATOM 1941 O OE1 A GLN B 1 65 ? 40.261 31.567 -15.117 0.44 30.51 ? 143 GLN B OE1 1 ATOM 1942 O OE1 B GLN B 1 65 ? 44.248 30.880 -15.589 0.56 30.82 ? 143 GLN B OE1 1 ATOM 1943 N NE2 A GLN B 1 65 ? 41.737 32.663 -16.409 0.44 29.67 ? 143 GLN B NE2 1 ATOM 1944 N NE2 B GLN B 1 65 ? 43.475 30.355 -17.634 0.56 30.75 ? 143 GLN B NE2 1 ATOM 1945 N N . GLY B 1 66 ? 43.005 25.997 -13.467 1.00 27.21 ? 144 GLY B N 1 ATOM 1946 C CA . GLY B 1 66 ? 43.167 25.169 -12.279 1.00 26.87 ? 144 GLY B CA 1 ATOM 1947 C C . GLY B 1 66 ? 41.880 24.755 -11.590 1.00 26.72 ? 144 GLY B C 1 ATOM 1948 O O . GLY B 1 66 ? 41.919 24.046 -10.585 1.00 26.54 ? 144 GLY B O 1 ATOM 1949 N N . LYS B 1 67 ? 40.742 25.198 -12.123 1.00 26.60 ? 145 LYS B N 1 ATOM 1950 C CA . LYS B 1 67 ? 39.430 24.952 -11.498 1.00 27.03 ? 145 LYS B CA 1 ATOM 1951 C C . LYS B 1 67 ? 38.536 24.026 -12.322 1.00 27.24 ? 145 LYS B C 1 ATOM 1952 O O . LYS B 1 67 ? 38.415 24.181 -13.540 1.00 27.18 ? 145 LYS B O 1 ATOM 1953 C CB . LYS B 1 67 ? 38.703 26.275 -11.235 1.00 27.17 ? 145 LYS B CB 1 ATOM 1954 C CG . LYS B 1 67 ? 39.360 27.117 -10.153 1.00 27.76 ? 145 LYS B CG 1 ATOM 1955 C CD . LYS B 1 67 ? 38.796 28.501 -10.137 1.00 30.48 ? 145 LYS B CD 1 ATOM 1956 C CE . LYS B 1 67 ? 39.382 29.312 -8.999 1.00 30.31 ? 145 LYS B CE 1 ATOM 1957 N NZ . LYS B 1 67 ? 38.837 30.689 -9.083 1.00 32.10 ? 145 LYS B NZ 1 ATOM 1958 N N . ILE B 1 68 ? 37.902 23.077 -11.642 1.00 27.13 ? 146 ILE B N 1 ATOM 1959 C CA . ILE B 1 68 ? 37.141 22.038 -12.315 1.00 27.55 ? 146 ILE B CA 1 ATOM 1960 C C . ILE B 1 68 ? 35.683 22.459 -12.513 1.00 27.93 ? 146 ILE B C 1 ATOM 1961 O O . ILE B 1 68 ? 35.103 23.162 -11.672 1.00 28.07 ? 146 ILE B O 1 ATOM 1962 C CB . ILE B 1 68 ? 37.258 20.675 -11.583 1.00 27.66 ? 146 ILE B CB 1 ATOM 1963 C CG1 . ILE B 1 68 ? 36.874 19.521 -12.527 1.00 27.88 ? 146 ILE B CG1 1 ATOM 1964 C CG2 . ILE B 1 68 ? 36.435 20.660 -10.285 1.00 26.90 ? 146 ILE B CG2 1 ATOM 1965 C CD1 . ILE B 1 68 ? 37.463 18.180 -12.131 1.00 26.30 ? 146 ILE B CD1 1 ATOM 1966 N N . GLY B 1 69 ? 35.116 22.034 -13.642 1.00 28.55 ? 147 GLY B N 1 ATOM 1967 C CA . GLY B 1 69 ? 33.736 22.348 -13.996 1.00 28.50 ? 147 GLY B CA 1 ATOM 1968 C C . GLY B 1 69 ? 33.190 21.466 -15.100 1.00 28.68 ? 147 GLY B C 1 ATOM 1969 O O . GLY B 1 69 ? 33.911 20.651 -15.695 1.00 28.37 ? 147 GLY B O 1 ATOM 1970 N N . VAL B 1 70 ? 31.899 21.630 -15.372 1.00 28.29 ? 148 VAL B N 1 ATOM 1971 C CA . VAL B 1 70 ? 31.243 20.917 -16.440 1.00 27.73 ? 148 VAL B CA 1 ATOM 1972 C C . VAL B 1 70 ? 30.504 21.926 -17.307 1.00 28.22 ? 148 VAL B C 1 ATOM 1973 O O . VAL B 1 70 ? 29.876 22.849 -16.794 1.00 28.02 ? 148 VAL B O 1 ATOM 1974 C CB . VAL B 1 70 ? 30.270 19.823 -15.915 1.00 28.25 ? 148 VAL B CB 1 ATOM 1975 C CG1 . VAL B 1 70 ? 29.497 19.185 -17.064 1.00 26.86 ? 148 VAL B CG1 1 ATOM 1976 C CG2 . VAL B 1 70 ? 31.020 18.761 -15.111 1.00 26.97 ? 148 VAL B CG2 1 ATOM 1977 N N . VAL B 1 71 ? 30.648 21.778 -18.621 1.00 27.45 ? 149 VAL B N 1 ATOM 1978 C CA . VAL B 1 71 ? 29.829 22.515 -19.572 1.00 27.93 ? 149 VAL B CA 1 ATOM 1979 C C . VAL B 1 71 ? 29.091 21.482 -20.412 1.00 27.35 ? 149 VAL B C 1 ATOM 1980 O O . VAL B 1 71 ? 29.685 20.505 -20.874 1.00 27.33 ? 149 VAL B O 1 ATOM 1981 C CB . VAL B 1 71 ? 30.659 23.502 -20.429 1.00 27.92 ? 149 VAL B CB 1 ATOM 1982 C CG1 . VAL B 1 71 ? 31.797 22.772 -21.171 1.00 29.42 ? 149 VAL B CG1 1 ATOM 1983 C CG2 . VAL B 1 71 ? 29.763 24.269 -21.402 1.00 28.53 ? 149 VAL B CG2 1 ATOM 1984 N N . PHE B 1 72 ? 27.787 21.667 -20.559 1.00 27.40 ? 150 PHE B N 1 ATOM 1985 C CA . PHE B 1 72 ? 26.996 20.770 -21.385 1.00 26.78 ? 150 PHE B CA 1 ATOM 1986 C C . PHE B 1 72 ? 25.982 21.531 -22.226 1.00 27.38 ? 150 PHE B C 1 ATOM 1987 O O . PHE B 1 72 ? 25.672 22.696 -21.958 1.00 27.22 ? 150 PHE B O 1 ATOM 1988 C CB . PHE B 1 72 ? 26.337 19.652 -20.540 1.00 26.72 ? 150 PHE B CB 1 ATOM 1989 C CG . PHE B 1 72 ? 25.278 20.138 -19.567 1.00 27.23 ? 150 PHE B CG 1 ATOM 1990 C CD1 . PHE B 1 72 ? 23.925 20.100 -19.911 1.00 27.29 ? 150 PHE B CD1 1 ATOM 1991 C CD2 . PHE B 1 72 ? 25.632 20.627 -18.308 1.00 27.47 ? 150 PHE B CD2 1 ATOM 1992 C CE1 . PHE B 1 72 ? 22.934 20.543 -19.007 1.00 26.33 ? 150 PHE B CE1 1 ATOM 1993 C CE2 . PHE B 1 72 ? 24.648 21.071 -17.400 1.00 27.77 ? 150 PHE B CE2 1 ATOM 1994 C CZ . PHE B 1 72 ? 23.300 21.024 -17.756 1.00 25.56 ? 150 PHE B CZ 1 ATOM 1995 N N . ASN B 1 73 ? 25.501 20.859 -23.270 1.00 27.18 ? 151 ASN B N 1 ATOM 1996 C CA . ASN B 1 73 ? 24.499 21.391 -24.162 1.00 27.35 ? 151 ASN B CA 1 ATOM 1997 C C . ASN B 1 73 ? 23.581 20.235 -24.531 1.00 27.64 ? 151 ASN B C 1 ATOM 1998 O O . ASN B 1 73 ? 24.046 19.188 -24.990 1.00 27.47 ? 151 ASN B O 1 ATOM 1999 C CB . ASN B 1 73 ? 25.161 21.994 -25.409 1.00 26.90 ? 151 ASN B CB 1 ATOM 2000 C CG . ASN B 1 73 ? 24.182 22.739 -26.295 1.00 26.84 ? 151 ASN B CG 1 ATOM 2001 O OD1 . ASN B 1 73 ? 23.263 22.146 -26.860 1.00 27.02 ? 151 ASN B OD1 1 ATOM 2002 N ND2 . ASN B 1 73 ? 24.395 24.038 -26.450 1.00 25.42 ? 151 ASN B ND2 1 ATOM 2003 N N . ILE B 1 74 ? 22.287 20.412 -24.283 1.00 27.88 ? 152 ILE B N 1 ATOM 2004 C CA . ILE B 1 74 ? 21.278 19.408 -24.644 1.00 28.20 ? 152 ILE B CA 1 ATOM 2005 C C . ILE B 1 74 ? 20.228 19.992 -25.604 1.00 28.29 ? 152 ILE B C 1 ATOM 2006 O O . ILE B 1 74 ? 19.081 19.539 -25.653 1.00 28.56 ? 152 ILE B O 1 ATOM 2007 C CB . ILE B 1 74 ? 20.638 18.725 -23.401 1.00 28.10 ? 152 ILE B CB 1 ATOM 2008 C CG1 . ILE B 1 74 ? 20.161 19.769 -22.388 1.00 28.52 ? 152 ILE B CG1 1 ATOM 2009 C CG2 . ILE B 1 74 ? 21.629 17.741 -22.751 1.00 27.77 ? 152 ILE B CG2 1 ATOM 2010 C CD1 . ILE B 1 74 ? 19.533 19.179 -21.158 1.00 28.90 ? 152 ILE B CD1 1 ATOM 2011 N N . GLY B 1 75 ? 20.645 21.003 -26.361 1.00 28.45 ? 153 GLY B N 1 ATOM 2012 C CA . GLY B 1 75 ? 19.889 21.487 -27.516 1.00 28.92 ? 153 GLY B CA 1 ATOM 2013 C C . GLY B 1 75 ? 19.394 22.914 -27.438 1.00 29.20 ? 153 GLY B C 1 ATOM 2014 O O . GLY B 1 75 ? 18.809 23.418 -28.396 1.00 29.13 ? 153 GLY B O 1 ATOM 2015 N N . THR B 1 76 ? 19.616 23.571 -26.300 1.00 29.51 ? 154 THR B N 1 ATOM 2016 C CA . THR B 1 76 ? 19.115 24.933 -26.091 1.00 30.36 ? 154 THR B CA 1 ATOM 2017 C C . THR B 1 76 ? 20.257 25.936 -26.064 1.00 30.40 ? 154 THR B C 1 ATOM 2018 O O . THR B 1 76 ? 20.299 26.853 -26.876 1.00 31.17 ? 154 THR B O 1 ATOM 2019 C CB . THR B 1 76 ? 18.269 25.050 -24.785 1.00 30.35 ? 154 THR B CB 1 ATOM 2020 O OG1 . THR B 1 76 ? 17.091 24.246 -24.903 1.00 30.56 ? 154 THR B OG1 1 ATOM 2021 C CG2 . THR B 1 76 ? 17.854 26.498 -24.518 1.00 30.65 ? 154 THR B CG2 1 ATOM 2022 N N . VAL B 1 77 ? 21.178 25.744 -25.125 1.00 30.40 ? 155 VAL B N 1 ATOM 2023 C CA . VAL B 1 77 ? 22.280 26.664 -24.875 1.00 29.97 ? 155 VAL B CA 1 ATOM 2024 C C . VAL B 1 77 ? 23.328 25.882 -24.091 1.00 29.36 ? 155 VAL B C 1 ATOM 2025 O O . VAL B 1 77 ? 22.995 24.878 -23.463 1.00 28.96 ? 155 VAL B O 1 ATOM 2026 C CB . VAL B 1 77 ? 21.797 27.894 -24.051 1.00 30.27 ? 155 VAL B CB 1 ATOM 2027 C CG1 . VAL B 1 77 ? 21.380 27.482 -22.638 1.00 29.65 ? 155 VAL B CG1 1 ATOM 2028 C CG2 . VAL B 1 77 ? 22.855 28.996 -24.015 1.00 30.84 ? 155 VAL B CG2 1 ATOM 2029 N N . ASP B 1 78 ? 24.585 26.323 -24.148 1.00 29.08 ? 156 ASP B N 1 ATOM 2030 C CA . ASP B 1 78 ? 25.632 25.771 -23.287 1.00 29.23 ? 156 ASP B CA 1 ATOM 2031 C C . ASP B 1 78 ? 25.297 26.125 -21.842 1.00 28.52 ? 156 ASP B C 1 ATOM 2032 O O . ASP B 1 78 ? 24.975 27.269 -21.538 1.00 28.20 ? 156 ASP B O 1 ATOM 2033 C CB . ASP B 1 78 ? 27.013 26.327 -23.647 1.00 29.72 ? 156 ASP B CB 1 ATOM 2034 C CG . ASP B 1 78 ? 27.576 25.745 -24.953 1.00 31.69 ? 156 ASP B CG 1 ATOM 2035 O OD1 . ASP B 1 78 ? 26.838 25.068 -25.711 1.00 32.28 ? 156 ASP B OD1 1 ATOM 2036 O OD2 . ASP B 1 78 ? 28.773 25.985 -25.225 1.00 33.44 ? 156 ASP B OD2 1 ATOM 2037 N N . ILE B 1 79 ? 25.334 25.115 -20.979 1.00 28.08 ? 157 ILE B N 1 ATOM 2038 C CA A ILE B 1 79 ? 25.095 25.287 -19.549 0.11 27.93 ? 157 ILE B CA 1 ATOM 2039 C CA B ILE B 1 79 ? 25.104 25.307 -19.554 0.89 27.78 ? 157 ILE B CA 1 ATOM 2040 C C . ILE B 1 79 ? 26.373 24.924 -18.806 1.00 27.78 ? 157 ILE B C 1 ATOM 2041 O O . ILE B 1 79 ? 26.901 23.820 -18.986 1.00 27.76 ? 157 ILE B O 1 ATOM 2042 C CB A ILE B 1 79 ? 23.939 24.380 -19.039 0.11 27.93 ? 157 ILE B CB 1 ATOM 2043 C CB B ILE B 1 79 ? 23.903 24.470 -19.051 0.89 27.75 ? 157 ILE B CB 1 ATOM 2044 C CG1 A ILE B 1 79 ? 22.666 24.550 -19.886 0.11 27.92 ? 157 ILE B CG1 1 ATOM 2045 C CG1 B ILE B 1 79 ? 22.619 24.890 -19.770 0.89 27.35 ? 157 ILE B CG1 1 ATOM 2046 C CG2 A ILE B 1 79 ? 23.678 24.610 -17.543 0.11 27.91 ? 157 ILE B CG2 1 ATOM 2047 C CG2 B ILE B 1 79 ? 23.749 24.594 -17.527 0.89 27.45 ? 157 ILE B CG2 1 ATOM 2048 C CD1 A ILE B 1 79 ? 21.905 25.846 -19.660 0.11 28.07 ? 157 ILE B CD1 1 ATOM 2049 C CD1 B ILE B 1 79 ? 21.581 23.795 -19.860 0.89 27.47 ? 157 ILE B CD1 1 ATOM 2050 N N . SER B 1 80 ? 26.854 25.851 -17.975 1.00 27.59 ? 158 SER B N 1 ATOM 2051 C CA A SER B 1 80 ? 28.108 25.667 -17.245 0.33 27.54 ? 158 SER B CA 1 ATOM 2052 C CA B SER B 1 80 ? 28.114 25.683 -17.251 0.67 27.73 ? 158 SER B CA 1 ATOM 2053 C C . SER B 1 80 ? 27.924 25.665 -15.733 1.00 27.52 ? 158 SER B C 1 ATOM 2054 O O . SER B 1 80 ? 27.111 26.419 -15.192 1.00 27.46 ? 158 SER B O 1 ATOM 2055 C CB A SER B 1 80 ? 29.111 26.755 -17.631 0.33 27.47 ? 158 SER B CB 1 ATOM 2056 C CB B SER B 1 80 ? 29.078 26.816 -17.628 0.67 27.60 ? 158 SER B CB 1 ATOM 2057 O OG A SER B 1 80 ? 29.682 26.478 -18.893 0.33 27.48 ? 158 SER B OG 1 ATOM 2058 O OG B SER B 1 80 ? 30.300 26.691 -16.929 0.67 28.98 ? 158 SER B OG 1 ATOM 2059 N N . ILE B 1 81 ? 28.690 24.808 -15.058 1.00 27.56 ? 159 ILE B N 1 ATOM 2060 C CA . ILE B 1 81 ? 28.750 24.782 -13.597 1.00 27.32 ? 159 ILE B CA 1 ATOM 2061 C C . ILE B 1 81 ? 30.207 24.527 -13.216 1.00 27.43 ? 159 ILE B C 1 ATOM 2062 O O . ILE B 1 81 ? 30.857 23.655 -13.799 1.00 26.98 ? 159 ILE B O 1 ATOM 2063 C CB . ILE B 1 81 ? 27.744 23.749 -12.957 1.00 27.47 ? 159 ILE B CB 1 ATOM 2064 C CG1 . ILE B 1 81 ? 27.771 23.834 -11.418 1.00 27.98 ? 159 ILE B CG1 1 ATOM 2065 C CG2 . ILE B 1 81 ? 27.976 22.317 -13.478 1.00 26.97 ? 159 ILE B CG2 1 ATOM 2066 C CD1 . ILE B 1 81 ? 26.551 23.225 -10.725 1.00 27.55 ? 159 ILE B CD1 1 ATOM 2067 N N . LYS B 1 82 ? 30.720 25.308 -12.264 1.00 27.92 ? 160 LYS B N 1 ATOM 2068 C CA . LYS B 1 82 ? 32.144 25.300 -11.929 1.00 28.62 ? 160 LYS B CA 1 ATOM 2069 C C . LYS B 1 82 ? 32.352 25.355 -10.419 1.00 27.87 ? 160 LYS B C 1 ATOM 2070 O O . LYS B 1 82 ? 31.617 26.040 -9.703 1.00 26.90 ? 160 LYS B O 1 ATOM 2071 C CB . LYS B 1 82 ? 32.854 26.497 -12.601 1.00 28.97 ? 160 LYS B CB 1 ATOM 2072 C CG . LYS B 1 82 ? 34.396 26.431 -12.652 1.00 31.00 ? 160 LYS B CG 1 ATOM 2073 C CD . LYS B 1 82 ? 35.033 27.662 -13.376 1.00 30.62 ? 160 LYS B CD 1 ATOM 2074 C CE . LYS B 1 82 ? 36.574 27.518 -13.528 1.00 33.04 ? 160 LYS B CE 1 ATOM 2075 N NZ . LYS B 1 82 ? 37.329 28.710 -14.119 1.00 31.77 ? 160 LYS B NZ 1 ATOM 2076 N N . GLU B 1 83 ? 33.358 24.628 -9.942 1.00 27.68 ? 161 GLU B N 1 ATOM 2077 C CA . GLU B 1 83 ? 33.877 24.862 -8.605 1.00 28.12 ? 161 GLU B CA 1 ATOM 2078 C C . GLU B 1 83 ? 34.804 26.073 -8.669 1.00 28.52 ? 161 GLU B C 1 ATOM 2079 O O . GLU B 1 83 ? 35.988 25.956 -9.005 1.00 27.90 ? 161 GLU B O 1 ATOM 2080 C CB . GLU B 1 83 ? 34.586 23.623 -8.042 1.00 27.79 ? 161 GLU B CB 1 ATOM 2081 C CG . GLU B 1 83 ? 35.230 23.836 -6.664 1.00 28.26 ? 161 GLU B CG 1 ATOM 2082 C CD . GLU B 1 83 ? 34.301 24.497 -5.657 1.00 30.26 ? 161 GLU B CD 1 ATOM 2083 O OE1 . GLU B 1 83 ? 33.276 23.888 -5.280 1.00 30.54 ? 161 GLU B OE1 1 ATOM 2084 O OE2 . GLU B 1 83 ? 34.606 25.631 -5.227 1.00 32.46 ? 161 GLU B OE2 1 ATOM 2085 N N . GLU B 1 84 ? 34.232 27.234 -8.348 1.00 29.55 ? 162 GLU B N 1 ATOM 2086 C CA . GLU B 1 84 ? 34.868 28.537 -8.551 1.00 31.01 ? 162 GLU B CA 1 ATOM 2087 C C . GLU B 1 84 ? 35.794 28.960 -7.425 1.00 31.10 ? 162 GLU B C 1 ATOM 2088 O O . GLU B 1 84 ? 36.708 29.758 -7.637 1.00 31.13 ? 162 GLU B O 1 ATOM 2089 C CB . GLU B 1 84 ? 33.795 29.621 -8.720 1.00 31.48 ? 162 GLU B CB 1 ATOM 2090 C CG . GLU B 1 84 ? 32.972 29.510 -10.000 1.00 35.53 ? 162 GLU B CG 1 ATOM 2091 C CD . GLU B 1 84 ? 33.678 30.084 -11.229 1.00 40.62 ? 162 GLU B CD 1 ATOM 2092 O OE1 . GLU B 1 84 ? 32.990 30.279 -12.256 1.00 42.96 ? 162 GLU B OE1 1 ATOM 2093 O OE2 . GLU B 1 84 ? 34.909 30.349 -11.176 1.00 42.72 ? 162 GLU B OE2 1 ATOM 2094 N N . ARG B 1 85 ? 35.550 28.443 -6.227 1.00 31.38 ? 163 ARG B N 1 ATOM 2095 C CA . ARG B 1 85 ? 36.207 28.968 -5.020 1.00 31.77 ? 163 ARG B CA 1 ATOM 2096 C C . ARG B 1 85 ? 37.617 28.444 -4.828 1.00 31.15 ? 163 ARG B C 1 ATOM 2097 O O . ARG B 1 85 ? 38.511 29.183 -4.418 1.00 30.70 ? 163 ARG B O 1 ATOM 2098 C CB . ARG B 1 85 ? 35.367 28.668 -3.773 1.00 32.36 ? 163 ARG B CB 1 ATOM 2099 C CG . ARG B 1 85 ? 33.911 29.090 -3.917 1.00 35.79 ? 163 ARG B CG 1 ATOM 2100 C CD . ARG B 1 85 ? 33.327 29.640 -2.630 1.00 40.28 ? 163 ARG B CD 1 ATOM 2101 N NE . ARG B 1 85 ? 32.039 30.280 -2.907 1.00 44.08 ? 163 ARG B NE 1 ATOM 2102 C CZ . ARG B 1 85 ? 31.486 31.228 -2.153 1.00 45.54 ? 163 ARG B CZ 1 ATOM 2103 N NH1 . ARG B 1 85 ? 32.102 31.658 -1.055 1.00 45.90 ? 163 ARG B NH1 1 ATOM 2104 N NH2 . ARG B 1 85 ? 30.312 31.747 -2.501 1.00 46.09 ? 163 ARG B NH2 1 ATOM 2105 N N . THR B 1 86 ? 37.811 27.160 -5.115 1.00 30.24 ? 164 THR B N 1 ATOM 2106 C CA . THR B 1 86 ? 39.079 26.502 -4.820 1.00 30.28 ? 164 THR B CA 1 ATOM 2107 C C . THR B 1 86 ? 39.552 25.655 -6.001 1.00 29.59 ? 164 THR B C 1 ATOM 2108 O O . THR B 1 86 ? 38.807 24.811 -6.501 1.00 29.43 ? 164 THR B O 1 ATOM 2109 C CB . THR B 1 86 ? 38.969 25.622 -3.554 1.00 30.20 ? 164 THR B CB 1 ATOM 2110 O OG1 . THR B 1 86 ? 38.421 26.397 -2.481 1.00 31.63 ? 164 THR B OG1 1 ATOM 2111 C CG2 . THR B 1 86 ? 40.339 25.076 -3.134 1.00 31.08 ? 164 THR B CG2 1 ATOM 2112 N N . PRO B 1 87 ? 40.792 25.895 -6.459 1.00 29.29 ? 165 PRO B N 1 ATOM 2113 C CA . PRO B 1 87 ? 41.393 25.103 -7.525 1.00 28.58 ? 165 PRO B CA 1 ATOM 2114 C C . PRO B 1 87 ? 41.678 23.675 -7.068 1.00 27.85 ? 165 PRO B C 1 ATOM 2115 O O . PRO B 1 87 ? 41.837 23.425 -5.869 1.00 27.58 ? 165 PRO B O 1 ATOM 2116 C CB . PRO B 1 87 ? 42.710 25.839 -7.819 1.00 28.47 ? 165 PRO B CB 1 ATOM 2117 C CG . PRO B 1 87 ? 42.543 27.192 -7.213 1.00 29.75 ? 165 PRO B CG 1 ATOM 2118 C CD . PRO B 1 87 ? 41.702 26.957 -6.000 1.00 29.28 ? 165 PRO B CD 1 ATOM 2119 N N . VAL B 1 88 ? 41.738 22.758 -8.031 1.00 26.84 ? 166 VAL B N 1 ATOM 2120 C CA . VAL B 1 88 ? 41.896 21.322 -7.766 1.00 25.92 ? 166 VAL B CA 1 ATOM 2121 C C . VAL B 1 88 ? 43.201 20.762 -8.349 1.00 25.43 ? 166 VAL B C 1 ATOM 2122 O O . VAL B 1 88 ? 43.477 19.570 -8.234 1.00 25.86 ? 166 VAL B O 1 ATOM 2123 C CB . VAL B 1 88 ? 40.698 20.491 -8.331 1.00 25.78 ? 166 VAL B CB 1 ATOM 2124 C CG1 . VAL B 1 88 ? 39.382 20.837 -7.613 1.00 25.90 ? 166 VAL B CG1 1 ATOM 2125 C CG2 . VAL B 1 88 ? 40.579 20.652 -9.837 1.00 24.97 ? 166 VAL B CG2 1 ATOM 2126 N N . ASN B 1 89 ? 44.006 21.629 -8.960 1.00 24.96 ? 167 ASN B N 1 ATOM 2127 C CA . ASN B 1 89 ? 45.235 21.201 -9.628 1.00 24.16 ? 167 ASN B CA 1 ATOM 2128 C C . ASN B 1 89 ? 46.466 21.308 -8.701 1.00 24.05 ? 167 ASN B C 1 ATOM 2129 O O . ASN B 1 89 ? 47.521 21.817 -9.086 1.00 24.14 ? 167 ASN B O 1 ATOM 2130 C CB . ASN B 1 89 ? 45.418 21.975 -10.943 1.00 24.09 ? 167 ASN B CB 1 ATOM 2131 C CG . ASN B 1 89 ? 45.698 23.463 -10.724 1.00 24.52 ? 167 ASN B CG 1 ATOM 2132 O OD1 . ASN B 1 89 ? 45.262 24.060 -9.732 1.00 24.89 ? 167 ASN B OD1 1 ATOM 2133 N ND2 . ASN B 1 89 ? 46.429 24.063 -11.648 1.00 23.28 ? 167 ASN B ND2 1 ATOM 2134 N N . ASP B 1 90 ? 46.304 20.815 -7.474 1.00 23.91 ? 168 ASP B N 1 ATOM 2135 C CA . ASP B 1 90 ? 47.324 20.893 -6.442 1.00 24.35 ? 168 ASP B CA 1 ATOM 2136 C C . ASP B 1 90 ? 48.128 19.600 -6.296 1.00 24.24 ? 168 ASP B C 1 ATOM 2137 O O . ASP B 1 90 ? 48.927 19.462 -5.372 1.00 23.18 ? 168 ASP B O 1 ATOM 2138 C CB . ASP B 1 90 ? 46.694 21.278 -5.100 1.00 24.90 ? 168 ASP B CB 1 ATOM 2139 C CG . ASP B 1 90 ? 45.558 20.352 -4.688 1.00 25.90 ? 168 ASP B CG 1 ATOM 2140 O OD1 . ASP B 1 90 ? 45.266 19.354 -5.391 1.00 28.86 ? 168 ASP B OD1 1 ATOM 2141 O OD2 . ASP B 1 90 ? 44.945 20.626 -3.640 1.00 29.10 ? 168 ASP B OD2 1 ATOM 2142 N N . GLY B 1 91 ? 47.903 18.656 -7.205 1.00 24.01 ? 169 GLY B N 1 ATOM 2143 C CA . GLY B 1 91 ? 48.626 17.390 -7.185 1.00 24.88 ? 169 GLY B CA 1 ATOM 2144 C C . GLY B 1 91 ? 48.130 16.419 -6.129 1.00 25.61 ? 169 GLY B C 1 ATOM 2145 O O . GLY B 1 91 ? 48.745 15.377 -5.917 1.00 26.76 ? 169 GLY B O 1 ATOM 2146 N N . LYS B 1 92 ? 47.042 16.772 -5.442 1.00 26.05 ? 170 LYS B N 1 ATOM 2147 C CA . LYS B 1 92 ? 46.417 15.907 -4.438 1.00 26.43 ? 170 LYS B CA 1 ATOM 2148 C C . LYS B 1 92 ? 45.235 15.176 -5.041 1.00 26.16 ? 170 LYS B C 1 ATOM 2149 O O . LYS B 1 92 ? 44.637 15.648 -6.008 1.00 25.91 ? 170 LYS B O 1 ATOM 2150 C CB . LYS B 1 92 ? 45.956 16.715 -3.216 1.00 26.53 ? 170 LYS B CB 1 ATOM 2151 C CG . LYS B 1 92 ? 47.094 17.405 -2.472 1.00 27.26 ? 170 LYS B CG 1 ATOM 2152 C CD . LYS B 1 92 ? 46.606 18.066 -1.191 1.00 28.80 ? 170 LYS B CD 1 ATOM 2153 C CE . LYS B 1 92 ? 47.777 18.607 -0.372 1.00 32.98 ? 170 LYS B CE 1 ATOM 2154 N NZ . LYS B 1 92 ? 47.456 18.742 1.091 1.00 35.83 ? 170 LYS B NZ 1 ATOM 2155 N N . TYR B 1 93 ? 44.894 14.021 -4.467 1.00 26.45 ? 171 TYR B N 1 ATOM 2156 C CA . TYR B 1 93 ? 43.759 13.240 -4.949 1.00 26.63 ? 171 TYR B CA 1 ATOM 2157 C C . TYR B 1 93 ? 42.436 13.899 -4.551 1.00 26.42 ? 171 TYR B C 1 ATOM 2158 O O . TYR B 1 93 ? 42.243 14.264 -3.393 1.00 26.21 ? 171 TYR B O 1 ATOM 2159 C CB . TYR B 1 93 ? 43.834 11.786 -4.442 1.00 27.41 ? 171 TYR B CB 1 ATOM 2160 C CG . TYR B 1 93 ? 42.645 10.930 -4.851 1.00 28.18 ? 171 TYR B CG 1 ATOM 2161 C CD1 . TYR B 1 93 ? 42.514 10.456 -6.157 1.00 28.65 ? 171 TYR B CD1 1 ATOM 2162 C CD2 . TYR B 1 93 ? 41.648 10.604 -3.926 1.00 28.66 ? 171 TYR B CD2 1 ATOM 2163 C CE1 . TYR B 1 93 ? 41.414 9.668 -6.535 1.00 29.16 ? 171 TYR B CE1 1 ATOM 2164 C CE2 . TYR B 1 93 ? 40.548 9.819 -4.289 1.00 29.26 ? 171 TYR B CE2 1 ATOM 2165 C CZ . TYR B 1 93 ? 40.435 9.362 -5.589 1.00 29.33 ? 171 TYR B CZ 1 ATOM 2166 O OH . TYR B 1 93 ? 39.348 8.587 -5.938 1.00 31.23 ? 171 TYR B OH 1 ATOM 2167 N N . HIS B 1 94 ? 41.543 14.055 -5.527 1.00 25.82 ? 172 HIS B N 1 ATOM 2168 C CA . HIS B 1 94 ? 40.204 14.596 -5.305 1.00 25.74 ? 172 HIS B CA 1 ATOM 2169 C C . HIS B 1 94 ? 39.182 13.731 -6.022 1.00 26.30 ? 172 HIS B C 1 ATOM 2170 O O . HIS B 1 94 ? 39.495 13.061 -7.010 1.00 26.16 ? 172 HIS B O 1 ATOM 2171 C CB . HIS B 1 94 ? 40.065 16.014 -5.886 1.00 25.57 ? 172 HIS B CB 1 ATOM 2172 C CG . HIS B 1 94 ? 41.043 17.000 -5.336 1.00 24.22 ? 172 HIS B CG 1 ATOM 2173 N ND1 . HIS B 1 94 ? 40.943 17.512 -4.061 1.00 26.11 ? 172 HIS B ND1 1 ATOM 2174 C CD2 . HIS B 1 94 ? 42.126 17.583 -5.892 1.00 24.34 ? 172 HIS B CD2 1 ATOM 2175 C CE1 . HIS B 1 94 ? 41.939 18.355 -3.848 1.00 26.05 ? 172 HIS B CE1 1 ATOM 2176 N NE2 . HIS B 1 94 ? 42.668 18.419 -4.947 1.00 25.70 ? 172 HIS B NE2 1 ATOM 2177 N N . VAL B 1 95 ? 37.947 13.782 -5.545 1.00 25.79 ? 173 VAL B N 1 ATOM 2178 C CA . VAL B 1 95 ? 36.853 13.213 -6.293 1.00 26.35 ? 173 VAL B CA 1 ATOM 2179 C C . VAL B 1 95 ? 35.930 14.344 -6.725 1.00 26.58 ? 173 VAL B C 1 ATOM 2180 O O . VAL B 1 95 ? 35.610 15.229 -5.927 1.00 25.95 ? 173 VAL B O 1 ATOM 2181 C CB . VAL B 1 95 ? 36.091 12.143 -5.476 1.00 26.49 ? 173 VAL B CB 1 ATOM 2182 C CG1 . VAL B 1 95 ? 34.874 11.623 -6.261 1.00 26.80 ? 173 VAL B CG1 1 ATOM 2183 C CG2 . VAL B 1 95 ? 37.043 10.997 -5.094 1.00 27.00 ? 173 VAL B CG2 1 ATOM 2184 N N . VAL B 1 96 ? 35.527 14.317 -7.993 1.00 26.10 ? 174 VAL B N 1 ATOM 2185 C CA . VAL B 1 96 ? 34.539 15.261 -8.499 1.00 26.23 ? 174 VAL B CA 1 ATOM 2186 C C . VAL B 1 96 ? 33.263 14.494 -8.851 1.00 26.89 ? 174 VAL B C 1 ATOM 2187 O O . VAL B 1 96 ? 33.325 13.435 -9.479 1.00 26.59 ? 174 VAL B O 1 ATOM 2188 C CB . VAL B 1 96 ? 35.079 16.116 -9.699 1.00 26.05 ? 174 VAL B CB 1 ATOM 2189 C CG1 . VAL B 1 96 ? 35.429 15.248 -10.921 1.00 25.86 ? 174 VAL B CG1 1 ATOM 2190 C CG2 . VAL B 1 96 ? 34.095 17.243 -10.088 1.00 24.71 ? 174 VAL B CG2 1 ATOM 2191 N N . ARG B 1 97 ? 32.124 15.028 -8.398 1.00 26.96 ? 175 ARG B N 1 ATOM 2192 C CA A ARG B 1 97 ? 30.823 14.424 -8.669 0.45 27.13 ? 175 ARG B CA 1 ATOM 2193 C CA B ARG B 1 97 ? 30.808 14.427 -8.620 0.55 27.20 ? 175 ARG B CA 1 ATOM 2194 C C . ARG B 1 97 ? 29.906 15.422 -9.349 1.00 27.00 ? 175 ARG B C 1 ATOM 2195 O O . ARG B 1 97 ? 29.762 16.563 -8.899 1.00 27.12 ? 175 ARG B O 1 ATOM 2196 C CB A ARG B 1 97 ? 30.165 13.926 -7.383 0.45 27.10 ? 175 ARG B CB 1 ATOM 2197 C CB B ARG B 1 97 ? 30.150 14.051 -7.282 0.55 27.07 ? 175 ARG B CB 1 ATOM 2198 C CG A ARG B 1 97 ? 30.730 12.630 -6.853 0.45 28.21 ? 175 ARG B CG 1 ATOM 2199 C CG B ARG B 1 97 ? 31.080 13.428 -6.248 0.55 28.07 ? 175 ARG B CG 1 ATOM 2200 C CD A ARG B 1 97 ? 30.273 12.393 -5.423 0.45 28.30 ? 175 ARG B CD 1 ATOM 2201 C CD B ARG B 1 97 ? 30.330 12.898 -5.033 0.55 27.65 ? 175 ARG B CD 1 ATOM 2202 N NE A ARG B 1 97 ? 31.407 12.012 -4.583 0.45 29.76 ? 175 ARG B NE 1 ATOM 2203 N NE B ARG B 1 97 ? 31.166 11.968 -4.263 0.55 30.26 ? 175 ARG B NE 1 ATOM 2204 C CZ A ARG B 1 97 ? 32.133 12.862 -3.858 0.45 29.44 ? 175 ARG B CZ 1 ATOM 2205 C CZ B ARG B 1 97 ? 31.230 10.655 -4.483 0.55 30.40 ? 175 ARG B CZ 1 ATOM 2206 N NH1 A ARG B 1 97 ? 31.847 14.166 -3.832 0.45 28.00 ? 175 ARG B NH1 1 ATOM 2207 N NH1 B ARG B 1 97 ? 30.494 10.105 -5.436 0.55 29.84 ? 175 ARG B NH1 1 ATOM 2208 N NH2 A ARG B 1 97 ? 33.148 12.400 -3.149 0.45 29.67 ? 175 ARG B NH2 1 ATOM 2209 N NH2 B ARG B 1 97 ? 32.021 9.889 -3.743 0.55 30.61 ? 175 ARG B NH2 1 ATOM 2210 N N . PHE B 1 98 ? 29.282 14.983 -10.437 1.00 26.34 ? 176 PHE B N 1 ATOM 2211 C CA . PHE B 1 98 ? 28.364 15.835 -11.205 1.00 26.44 ? 176 PHE B CA 1 ATOM 2212 C C . PHE B 1 98 ? 27.051 15.099 -11.428 1.00 26.58 ? 176 PHE B C 1 ATOM 2213 O O . PHE B 1 98 ? 27.052 13.896 -11.720 1.00 26.09 ? 176 PHE B O 1 ATOM 2214 C CB . PHE B 1 98 ? 29.018 16.224 -12.547 1.00 26.04 ? 176 PHE B CB 1 ATOM 2215 C CG . PHE B 1 98 ? 28.076 16.863 -13.537 1.00 26.29 ? 176 PHE B CG 1 ATOM 2216 C CD1 . PHE B 1 98 ? 27.872 18.249 -13.540 1.00 24.78 ? 176 PHE B CD1 1 ATOM 2217 C CD2 . PHE B 1 98 ? 27.394 16.088 -14.466 1.00 25.90 ? 176 PHE B CD2 1 ATOM 2218 C CE1 . PHE B 1 98 ? 26.995 18.840 -14.451 1.00 24.23 ? 176 PHE B CE1 1 ATOM 2219 C CE2 . PHE B 1 98 ? 26.517 16.678 -15.388 1.00 26.14 ? 176 PHE B CE2 1 ATOM 2220 C CZ . PHE B 1 98 ? 26.323 18.053 -15.382 1.00 24.66 ? 176 PHE B CZ 1 ATOM 2221 N N . THR B 1 99 ? 25.929 15.801 -11.265 1.00 26.64 ? 177 THR B N 1 ATOM 2222 C CA . THR B 1 99 ? 24.647 15.290 -11.776 1.00 26.61 ? 177 THR B CA 1 ATOM 2223 C C . THR B 1 99 ? 23.991 16.293 -12.715 1.00 26.63 ? 177 THR B C 1 ATOM 2224 O O . THR B 1 99 ? 24.249 17.506 -12.643 1.00 25.95 ? 177 THR B O 1 ATOM 2225 C CB . THR B 1 99 ? 23.629 14.904 -10.656 1.00 27.05 ? 177 THR B CB 1 ATOM 2226 O OG1 . THR B 1 99 ? 23.113 16.084 -10.018 1.00 26.92 ? 177 THR B OG1 1 ATOM 2227 C CG2 . THR B 1 99 ? 24.264 13.969 -9.621 1.00 26.75 ? 177 THR B CG2 1 ATOM 2228 N N . ARG B 1 100 ? 23.154 15.772 -13.602 1.00 26.71 ? 178 ARG B N 1 ATOM 2229 C CA . ARG B 1 100 ? 22.315 16.591 -14.453 1.00 26.82 ? 178 ARG B CA 1 ATOM 2230 C C . ARG B 1 100 ? 20.899 16.044 -14.348 1.00 27.08 ? 178 ARG B C 1 ATOM 2231 O O . ARG B 1 100 ? 20.705 14.829 -14.339 1.00 26.21 ? 178 ARG B O 1 ATOM 2232 C CB . ARG B 1 100 ? 22.809 16.532 -15.898 1.00 26.49 ? 178 ARG B CB 1 ATOM 2233 C CG . ARG B 1 100 ? 21.988 17.381 -16.854 1.00 27.43 ? 178 ARG B CG 1 ATOM 2234 C CD . ARG B 1 100 ? 22.318 17.097 -18.307 1.00 27.34 ? 178 ARG B CD 1 ATOM 2235 N NE . ARG B 1 100 ? 21.898 15.758 -18.707 1.00 26.68 ? 178 ARG B NE 1 ATOM 2236 C CZ . ARG B 1 100 ? 20.688 15.438 -19.150 1.00 25.85 ? 178 ARG B CZ 1 ATOM 2237 N NH1 . ARG B 1 100 ? 19.737 16.355 -19.258 1.00 25.13 ? 178 ARG B NH1 1 ATOM 2238 N NH2 . ARG B 1 100 ? 20.433 14.182 -19.500 1.00 25.05 ? 178 ARG B NH2 1 ATOM 2239 N N . ASN B 1 101 ? 19.927 16.948 -14.222 1.00 27.17 ? 179 ASN B N 1 ATOM 2240 C CA . ASN B 1 101 ? 18.514 16.616 -14.306 1.00 27.91 ? 179 ASN B CA 1 ATOM 2241 C C . ASN B 1 101 ? 17.845 17.621 -15.213 1.00 27.58 ? 179 ASN B C 1 ATOM 2242 O O . ASN B 1 101 ? 17.570 18.748 -14.792 1.00 27.52 ? 179 ASN B O 1 ATOM 2243 C CB . ASN B 1 101 ? 17.850 16.642 -12.921 1.00 28.06 ? 179 ASN B CB 1 ATOM 2244 C CG . ASN B 1 101 ? 18.190 15.426 -12.102 1.00 30.30 ? 179 ASN B CG 1 ATOM 2245 O OD1 . ASN B 1 101 ? 17.469 14.427 -12.130 1.00 33.82 ? 179 ASN B OD1 1 ATOM 2246 N ND2 . ASN B 1 101 ? 19.310 15.485 -11.389 1.00 32.04 ? 179 ASN B ND2 1 ATOM 2247 N N . GLY B 1 102 ? 17.595 17.221 -16.460 1.00 27.79 ? 180 GLY B N 1 ATOM 2248 C CA . GLY B 1 102 ? 17.169 18.168 -17.487 1.00 27.29 ? 180 GLY B CA 1 ATOM 2249 C C . GLY B 1 102 ? 18.251 19.215 -17.683 1.00 27.37 ? 180 GLY B C 1 ATOM 2250 O O . GLY B 1 102 ? 19.393 18.879 -17.997 1.00 27.31 ? 180 GLY B O 1 ATOM 2251 N N . ALA B 1 103 ? 17.893 20.480 -17.476 1.00 27.01 ? 181 ALA B N 1 ATOM 2252 C CA . ALA B 1 103 ? 18.832 21.600 -17.586 1.00 26.90 ? 181 ALA B CA 1 ATOM 2253 C C . ALA B 1 103 ? 19.590 21.867 -16.283 1.00 26.81 ? 181 ALA B C 1 ATOM 2254 O O . ALA B 1 103 ? 20.579 22.595 -16.276 1.00 27.00 ? 181 ALA B O 1 ATOM 2255 C CB . ALA B 1 103 ? 18.094 22.848 -18.016 1.00 26.92 ? 181 ALA B CB 1 ATOM 2256 N N . ASN B 1 104 ? 19.121 21.280 -15.184 1.00 26.69 ? 182 ASN B N 1 ATOM 2257 C CA . ASN B 1 104 ? 19.712 21.511 -13.863 1.00 26.55 ? 182 ASN B CA 1 ATOM 2258 C C . ASN B 1 104 ? 20.948 20.671 -13.630 1.00 26.43 ? 182 ASN B C 1 ATOM 2259 O O . ASN B 1 104 ? 21.056 19.567 -14.163 1.00 26.56 ? 182 ASN B O 1 ATOM 2260 C CB . ASN B 1 104 ? 18.694 21.221 -12.759 1.00 26.59 ? 182 ASN B CB 1 ATOM 2261 C CG . ASN B 1 104 ? 17.360 21.876 -13.013 1.00 28.30 ? 182 ASN B CG 1 ATOM 2262 O OD1 . ASN B 1 104 ? 17.298 23.007 -13.505 1.00 27.79 ? 182 ASN B OD1 1 ATOM 2263 N ND2 . ASN B 1 104 ? 16.272 21.158 -12.678 1.00 30.75 ? 182 ASN B ND2 1 ATOM 2264 N N . ALA B 1 105 ? 21.865 21.189 -12.812 1.00 26.04 ? 183 ALA B N 1 ATOM 2265 C CA . ALA B 1 105 ? 23.130 20.514 -12.531 1.00 25.65 ? 183 ALA B CA 1 ATOM 2266 C C . ALA B 1 105 ? 23.591 20.729 -11.098 1.00 25.62 ? 183 ALA B C 1 ATOM 2267 O O . ALA B 1 105 ? 23.245 21.735 -10.462 1.00 24.60 ? 183 ALA B O 1 ATOM 2268 C CB . ALA B 1 105 ? 24.211 20.993 -13.488 1.00 26.20 ? 183 ALA B CB 1 ATOM 2269 N N . THR B 1 106 ? 24.362 19.763 -10.604 1.00 25.08 ? 184 THR B N 1 ATOM 2270 C CA . THR B 1 106 ? 25.076 19.888 -9.338 1.00 25.88 ? 184 THR B CA 1 ATOM 2271 C C . THR B 1 106 ? 26.525 19.516 -9.596 1.00 26.04 ? 184 THR B C 1 ATOM 2272 O O . THR B 1 106 ? 26.828 18.775 -10.526 1.00 26.03 ? 184 THR B O 1 ATOM 2273 C CB . THR B 1 106 ? 24.497 18.987 -8.200 1.00 25.64 ? 184 THR B CB 1 ATOM 2274 O OG1 . THR B 1 106 ? 24.694 17.603 -8.521 1.00 26.32 ? 184 THR B OG1 1 ATOM 2275 C CG2 . THR B 1 106 ? 23.022 19.247 -7.979 1.00 25.73 ? 184 THR B CG2 1 ATOM 2276 N N . LEU B 1 107 ? 27.422 20.048 -8.780 1.00 26.22 ? 185 LEU B N 1 ATOM 2277 C CA . LEU B 1 107 ? 28.832 19.729 -8.902 1.00 26.62 ? 185 LEU B CA 1 ATOM 2278 C C . LEU B 1 107 ? 29.473 19.845 -7.529 1.00 26.34 ? 185 LEU B C 1 ATOM 2279 O O . LEU B 1 107 ? 29.354 20.870 -6.867 1.00 26.43 ? 185 LEU B O 1 ATOM 2280 C CB . LEU B 1 107 ? 29.523 20.670 -9.905 1.00 26.85 ? 185 LEU B CB 1 ATOM 2281 C CG . LEU B 1 107 ? 31.009 20.419 -10.194 1.00 28.60 ? 185 LEU B CG 1 ATOM 2282 C CD1 . LEU B 1 107 ? 31.128 19.356 -11.246 1.00 31.06 ? 185 LEU B CD1 1 ATOM 2283 C CD2 . LEU B 1 107 ? 31.663 21.711 -10.684 1.00 31.51 ? 185 LEU B CD2 1 ATOM 2284 N N . GLN B 1 108 ? 30.135 18.778 -7.102 1.00 26.38 ? 186 GLN B N 1 ATOM 2285 C CA . GLN B 1 108 ? 30.823 18.770 -5.821 1.00 26.46 ? 186 GLN B CA 1 ATOM 2286 C C . GLN B 1 108 ? 32.224 18.205 -5.956 1.00 26.70 ? 186 GLN B C 1 ATOM 2287 O O . GLN B 1 108 ? 32.433 17.212 -6.651 1.00 27.03 ? 186 GLN B O 1 ATOM 2288 C CB . GLN B 1 108 ? 30.045 17.982 -4.755 1.00 26.47 ? 186 GLN B CB 1 ATOM 2289 C CG . GLN B 1 108 ? 30.758 17.984 -3.384 1.00 25.41 ? 186 GLN B CG 1 ATOM 2290 C CD . GLN B 1 108 ? 30.038 17.179 -2.323 1.00 26.24 ? 186 GLN B CD 1 ATOM 2291 O OE1 . GLN B 1 108 ? 29.611 16.045 -2.559 1.00 25.94 ? 186 GLN B OE1 1 ATOM 2292 N NE2 . GLN B 1 108 ? 29.910 17.757 -1.138 1.00 24.32 ? 186 GLN B NE2 1 ATOM 2293 N N . VAL B 1 109 ? 33.183 18.851 -5.296 1.00 26.81 ? 187 VAL B N 1 ATOM 2294 C CA . VAL B 1 109 ? 34.505 18.275 -5.143 1.00 27.11 ? 187 VAL B CA 1 ATOM 2295 C C . VAL B 1 109 ? 34.639 17.824 -3.694 1.00 26.78 ? 187 VAL B C 1 ATOM 2296 O O . VAL B 1 109 ? 34.278 18.566 -2.780 1.00 26.64 ? 187 VAL B O 1 ATOM 2297 C CB . VAL B 1 109 ? 35.636 19.280 -5.498 1.00 27.28 ? 187 VAL B CB 1 ATOM 2298 C CG1 . VAL B 1 109 ? 37.007 18.622 -5.316 1.00 27.97 ? 187 VAL B CG1 1 ATOM 2299 C CG2 . VAL B 1 109 ? 35.480 19.778 -6.923 1.00 26.94 ? 187 VAL B CG2 1 ATOM 2300 N N . ASP B 1 110 ? 35.155 16.609 -3.499 1.00 26.32 ? 188 ASP B N 1 ATOM 2301 C CA . ASP B 1 110 ? 35.392 16.052 -2.173 1.00 26.18 ? 188 ASP B CA 1 ATOM 2302 C C . ASP B 1 110 ? 34.154 16.262 -1.308 1.00 25.58 ? 188 ASP B C 1 ATOM 2303 O O . ASP B 1 110 ? 33.060 15.906 -1.740 1.00 25.80 ? 188 ASP B O 1 ATOM 2304 C CB . ASP B 1 110 ? 36.667 16.648 -1.561 1.00 26.27 ? 188 ASP B CB 1 ATOM 2305 C CG . ASP B 1 110 ? 37.910 16.332 -2.399 1.00 27.75 ? 188 ASP B CG 1 ATOM 2306 O OD1 . ASP B 1 110 ? 37.853 15.400 -3.234 1.00 28.80 ? 188 ASP B OD1 1 ATOM 2307 O OD2 . ASP B 1 110 ? 38.934 17.016 -2.238 1.00 29.96 ? 188 ASP B OD2 1 ATOM 2308 N N . ASN B 1 111 ? 34.306 16.855 -0.126 1.00 24.72 ? 189 ASN B N 1 ATOM 2309 C CA . ASN B 1 111 ? 33.150 17.151 0.735 1.00 24.39 ? 189 ASN B CA 1 ATOM 2310 C C . ASN B 1 111 ? 32.783 18.643 0.744 1.00 24.31 ? 189 ASN B C 1 ATOM 2311 O O . ASN B 1 111 ? 32.042 19.101 1.611 1.00 24.79 ? 189 ASN B O 1 ATOM 2312 C CB . ASN B 1 111 ? 33.400 16.645 2.158 1.00 23.99 ? 189 ASN B CB 1 ATOM 2313 C CG . ASN B 1 111 ? 34.540 17.380 2.848 1.00 23.84 ? 189 ASN B CG 1 ATOM 2314 O OD1 . ASN B 1 111 ? 35.399 17.965 2.191 1.00 23.68 ? 189 ASN B OD1 1 ATOM 2315 N ND2 . ASN B 1 111 ? 34.563 17.338 4.177 1.00 22.15 ? 189 ASN B ND2 1 ATOM 2316 N N . TRP B 1 112 ? 33.311 19.394 -0.221 1.00 24.66 ? 190 TRP B N 1 ATOM 2317 C CA . TRP B 1 112 ? 33.133 20.856 -0.256 1.00 24.48 ? 190 TRP B CA 1 ATOM 2318 C C . TRP B 1 112 ? 31.667 21.245 -0.488 1.00 24.03 ? 190 TRP B C 1 ATOM 2319 O O . TRP B 1 112 ? 30.890 20.442 -1.002 1.00 23.97 ? 190 TRP B O 1 ATOM 2320 C CB . TRP B 1 112 ? 34.017 21.501 -1.337 1.00 24.86 ? 190 TRP B CB 1 ATOM 2321 C CG . TRP B 1 112 ? 35.483 21.157 -1.286 1.00 25.34 ? 190 TRP B CG 1 ATOM 2322 C CD1 . TRP B 1 112 ? 36.151 20.498 -0.291 1.00 26.04 ? 190 TRP B CD1 1 ATOM 2323 C CD2 . TRP B 1 112 ? 36.467 21.482 -2.280 1.00 26.43 ? 190 TRP B CD2 1 ATOM 2324 N NE1 . TRP B 1 112 ? 37.479 20.373 -0.617 1.00 26.29 ? 190 TRP B NE1 1 ATOM 2325 C CE2 . TRP B 1 112 ? 37.703 20.973 -1.828 1.00 25.97 ? 190 TRP B CE2 1 ATOM 2326 C CE3 . TRP B 1 112 ? 36.422 22.164 -3.506 1.00 25.92 ? 190 TRP B CE3 1 ATOM 2327 C CZ2 . TRP B 1 112 ? 38.891 21.113 -2.565 1.00 27.21 ? 190 TRP B CZ2 1 ATOM 2328 C CZ3 . TRP B 1 112 ? 37.602 22.295 -4.247 1.00 26.45 ? 190 TRP B CZ3 1 ATOM 2329 C CH2 . TRP B 1 112 ? 38.815 21.769 -3.776 1.00 25.54 ? 190 TRP B CH2 1 ATOM 2330 N N . PRO B 1 113 ? 31.280 22.484 -0.120 1.00 24.06 ? 191 PRO B N 1 ATOM 2331 C CA . PRO B 1 113 ? 29.908 22.882 -0.395 1.00 24.25 ? 191 PRO B CA 1 ATOM 2332 C C . PRO B 1 113 ? 29.518 22.590 -1.854 1.00 24.66 ? 191 PRO B C 1 ATOM 2333 O O . PRO B 1 113 ? 30.318 22.789 -2.779 1.00 25.02 ? 191 PRO B O 1 ATOM 2334 C CB . PRO B 1 113 ? 29.906 24.387 -0.077 1.00 24.07 ? 191 PRO B CB 1 ATOM 2335 C CG . PRO B 1 113 ? 30.971 24.545 0.936 1.00 23.89 ? 191 PRO B CG 1 ATOM 2336 C CD . PRO B 1 113 ? 32.037 23.549 0.565 1.00 23.89 ? 191 PRO B CD 1 ATOM 2337 N N . VAL B 1 114 ? 28.305 22.083 -2.046 1.00 25.07 ? 192 VAL B N 1 ATOM 2338 C CA . VAL B 1 114 ? 27.847 21.649 -3.361 1.00 25.16 ? 192 VAL B CA 1 ATOM 2339 C C . VAL B 1 114 ? 27.481 22.876 -4.185 1.00 25.38 ? 192 VAL B C 1 ATOM 2340 O O . VAL B 1 114 ? 26.885 23.828 -3.661 1.00 25.43 ? 192 VAL B O 1 ATOM 2341 C CB . VAL B 1 114 ? 26.610 20.716 -3.238 1.00 25.39 ? 192 VAL B CB 1 ATOM 2342 C CG1 . VAL B 1 114 ? 26.061 20.319 -4.606 1.00 25.67 ? 192 VAL B CG1 1 ATOM 2343 C CG2 . VAL B 1 114 ? 26.961 19.474 -2.432 1.00 26.89 ? 192 VAL B CG2 1 ATOM 2344 N N . ASN B 1 115 ? 27.861 22.853 -5.457 1.00 25.33 ? 193 ASN B N 1 ATOM 2345 C CA . ASN B 1 115 ? 27.433 23.854 -6.429 1.00 26.24 ? 193 ASN B CA 1 ATOM 2346 C C . ASN B 1 115 ? 26.169 23.349 -7.104 1.00 26.85 ? 193 ASN B C 1 ATOM 2347 O O . ASN B 1 115 ? 26.075 22.171 -7.443 1.00 26.37 ? 193 ASN B O 1 ATOM 2348 C CB . ASN B 1 115 ? 28.528 24.093 -7.481 1.00 25.70 ? 193 ASN B CB 1 ATOM 2349 C CG . ASN B 1 115 ? 29.859 24.485 -6.858 1.00 25.80 ? 193 ASN B CG 1 ATOM 2350 O OD1 . ASN B 1 115 ? 30.082 25.649 -6.530 1.00 25.13 ? 193 ASN B OD1 1 ATOM 2351 N ND2 . ASN B 1 115 ? 30.747 23.512 -6.692 1.00 23.90 ? 193 ASN B ND2 1 ATOM 2352 N N . GLU B 1 116 ? 25.193 24.238 -7.272 1.00 27.71 ? 194 GLU B N 1 ATOM 2353 C CA . GLU B 1 116 ? 23.949 23.899 -7.962 1.00 29.18 ? 194 GLU B CA 1 ATOM 2354 C C . GLU B 1 116 ? 23.614 25.018 -8.940 1.00 29.25 ? 194 GLU B C 1 ATOM 2355 O O . GLU B 1 116 ? 23.948 26.181 -8.710 1.00 29.81 ? 194 GLU B O 1 ATOM 2356 C CB . GLU B 1 116 ? 22.803 23.691 -6.959 1.00 28.54 ? 194 GLU B CB 1 ATOM 2357 C CG . GLU B 1 116 ? 22.333 24.971 -6.278 1.00 30.45 ? 194 GLU B CG 1 ATOM 2358 C CD . GLU B 1 116 ? 21.336 24.736 -5.150 1.00 31.32 ? 194 GLU B CD 1 ATOM 2359 O OE1 . GLU B 1 116 ? 21.174 23.572 -4.717 1.00 34.08 ? 194 GLU B OE1 1 ATOM 2360 O OE2 . GLU B 1 116 ? 20.722 25.726 -4.694 1.00 33.25 ? 194 GLU B OE2 1 ATOM 2361 N N . HIS B 1 117 ? 22.962 24.662 -10.034 1.00 29.73 ? 195 HIS B N 1 ATOM 2362 C CA . HIS B 1 117 ? 22.605 25.635 -11.048 1.00 30.04 ? 195 HIS B CA 1 ATOM 2363 C C . HIS B 1 117 ? 21.270 25.232 -11.650 1.00 29.99 ? 195 HIS B C 1 ATOM 2364 O O . HIS B 1 117 ? 21.067 24.068 -11.998 1.00 29.38 ? 195 HIS B O 1 ATOM 2365 C CB . HIS B 1 117 ? 23.708 25.708 -12.117 1.00 30.42 ? 195 HIS B CB 1 ATOM 2366 C CG . HIS B 1 117 ? 23.439 26.703 -13.198 1.00 32.23 ? 195 HIS B CG 1 ATOM 2367 N ND1 . HIS B 1 117 ? 22.999 27.984 -12.942 1.00 33.96 ? 195 HIS B ND1 1 ATOM 2368 C CD2 . HIS B 1 117 ? 23.553 26.605 -14.543 1.00 33.73 ? 195 HIS B CD2 1 ATOM 2369 C CE1 . HIS B 1 117 ? 22.846 28.629 -14.085 1.00 34.65 ? 195 HIS B CE1 1 ATOM 2370 N NE2 . HIS B 1 117 ? 23.174 27.814 -15.071 1.00 34.29 ? 195 HIS B NE2 1 ATOM 2371 N N . TYR B 1 118 ? 20.361 26.198 -11.742 1.00 30.20 ? 196 TYR B N 1 ATOM 2372 C CA . TYR B 1 118 ? 19.017 25.965 -12.259 1.00 31.27 ? 196 TYR B CA 1 ATOM 2373 C C . TYR B 1 118 ? 18.714 26.948 -13.383 1.00 31.56 ? 196 TYR B C 1 ATOM 2374 O O . TYR B 1 118 ? 18.140 28.006 -13.132 1.00 31.46 ? 196 TYR B O 1 ATOM 2375 C CB . TYR B 1 118 ? 17.972 26.124 -11.157 1.00 31.40 ? 196 TYR B CB 1 ATOM 2376 C CG . TYR B 1 118 ? 18.069 25.103 -10.058 1.00 32.45 ? 196 TYR B CG 1 ATOM 2377 C CD1 . TYR B 1 118 ? 18.851 25.343 -8.924 1.00 32.29 ? 196 TYR B CD1 1 ATOM 2378 C CD2 . TYR B 1 118 ? 17.368 23.901 -10.140 1.00 32.58 ? 196 TYR B CD2 1 ATOM 2379 C CE1 . TYR B 1 118 ? 18.932 24.413 -7.903 1.00 32.24 ? 196 TYR B CE1 1 ATOM 2380 C CE2 . TYR B 1 118 ? 17.447 22.961 -9.124 1.00 33.25 ? 196 TYR B CE2 1 ATOM 2381 C CZ . TYR B 1 118 ? 18.228 23.228 -8.011 1.00 32.90 ? 196 TYR B CZ 1 ATOM 2382 O OH . TYR B 1 118 ? 18.304 22.302 -7.006 1.00 33.96 ? 196 TYR B OH 1 ATOM 2383 N N . PRO B 1 119 ? 19.124 26.611 -14.618 1.00 31.83 ? 197 PRO B N 1 ATOM 2384 C CA . PRO B 1 119 ? 18.916 27.479 -15.774 1.00 32.40 ? 197 PRO B CA 1 ATOM 2385 C C . PRO B 1 119 ? 17.474 27.952 -15.916 1.00 32.69 ? 197 PRO B C 1 ATOM 2386 O O . PRO B 1 119 ? 16.530 27.185 -15.706 1.00 32.80 ? 197 PRO B O 1 ATOM 2387 C CB . PRO B 1 119 ? 19.315 26.591 -16.954 1.00 32.27 ? 197 PRO B CB 1 ATOM 2388 C CG . PRO B 1 119 ? 20.320 25.688 -16.384 1.00 32.13 ? 197 PRO B CG 1 ATOM 2389 C CD . PRO B 1 119 ? 19.859 25.392 -14.987 1.00 31.95 ? 197 PRO B CD 1 ATOM 2390 N N . THR B 1 120 ? 17.325 29.224 -16.260 1.00 33.25 ? 198 THR B N 1 ATOM 2391 C CA . THR B 1 120 ? 16.016 29.841 -16.375 1.00 33.72 ? 198 THR B CA 1 ATOM 2392 C C . THR B 1 120 ? 15.467 29.719 -17.802 1.00 33.99 ? 198 THR B C 1 ATOM 2393 O O . THR B 1 120 ? 16.221 29.453 -18.746 1.00 33.95 ? 198 THR B O 1 ATOM 2394 C CB . THR B 1 120 ? 16.059 31.323 -15.928 1.00 33.67 ? 198 THR B CB 1 ATOM 2395 O OG1 . THR B 1 120 ? 14.742 31.883 -15.999 1.00 34.75 ? 198 THR B OG1 1 ATOM 2396 C CG2 . THR B 1 120 ? 17.006 32.139 -16.807 1.00 33.70 ? 198 THR B CG2 1 ATOM 2397 N N . GLY B 1 121 ? 14.153 29.898 -17.934 1.00 34.12 ? 199 GLY B N 1 ATOM 2398 C CA . GLY B 1 121 ? 13.479 29.912 -19.228 1.00 34.64 ? 199 GLY B CA 1 ATOM 2399 C C . GLY B 1 121 ? 13.269 28.535 -19.827 1.00 34.88 ? 199 GLY B C 1 ATOM 2400 O O . GLY B 1 121 ? 13.511 27.515 -19.174 1.00 35.13 ? 199 GLY B O 1 ATOM 2401 N N . ARG B 1 122 ? 12.817 28.521 -21.078 1.00 34.84 ? 200 ARG B N 1 ATOM 2402 C CA . ARG B 1 122 ? 12.579 27.291 -21.831 1.00 34.90 ? 200 ARG B CA 1 ATOM 2403 C C . ARG B 1 122 ? 13.875 26.498 -21.982 1.00 34.09 ? 200 ARG B C 1 ATOM 2404 O O . ARG B 1 122 ? 14.894 27.022 -22.447 1.00 34.20 ? 200 ARG B O 1 ATOM 2405 C CB . ARG B 1 122 ? 11.928 27.619 -23.190 1.00 35.43 ? 200 ARG B CB 1 ATOM 2406 C CG . ARG B 1 122 ? 12.279 26.702 -24.359 1.00 37.65 ? 200 ARG B CG 1 ATOM 2407 C CD . ARG B 1 122 ? 11.405 25.451 -24.426 1.00 41.47 ? 200 ARG B CD 1 ATOM 2408 N NE . ARG B 1 122 ? 11.808 24.575 -25.531 1.00 43.73 ? 200 ARG B NE 1 ATOM 2409 C CZ . ARG B 1 122 ? 11.438 24.738 -26.802 1.00 45.45 ? 200 ARG B CZ 1 ATOM 2410 N NH1 . ARG B 1 122 ? 10.645 25.749 -27.156 1.00 46.32 ? 200 ARG B NH1 1 ATOM 2411 N NH2 . ARG B 1 122 ? 11.860 23.885 -27.729 1.00 46.24 ? 200 ARG B NH2 1 ATOM 2412 N N . GLN B 1 123 ? 13.828 25.239 -21.555 1.00 32.95 ? 201 GLN B N 1 ATOM 2413 C CA . GLN B 1 123 ? 14.996 24.373 -21.583 1.00 31.96 ? 201 GLN B CA 1 ATOM 2414 C C . GLN B 1 123 ? 14.630 22.981 -22.081 1.00 31.65 ? 201 GLN B C 1 ATOM 2415 O O . GLN B 1 123 ? 13.632 22.400 -21.640 1.00 31.63 ? 201 GLN B O 1 ATOM 2416 C CB . GLN B 1 123 ? 15.632 24.286 -20.188 1.00 31.89 ? 201 GLN B CB 1 ATOM 2417 C CG . GLN B 1 123 ? 16.197 25.610 -19.636 1.00 30.65 ? 201 GLN B CG 1 ATOM 2418 C CD . GLN B 1 123 ? 17.461 26.076 -20.354 1.00 30.49 ? 201 GLN B CD 1 ATOM 2419 O OE1 . GLN B 1 123 ? 18.157 25.286 -20.994 1.00 29.37 ? 201 GLN B OE1 1 ATOM 2420 N NE2 . GLN B 1 123 ? 17.759 27.368 -20.252 1.00 30.00 ? 201 GLN B NE2 1 ATOM 2421 N N . LEU B 1 124 ? 15.432 22.464 -23.013 1.00 30.73 ? 202 LEU B N 1 ATOM 2422 C CA . LEU B 1 124 ? 15.352 21.060 -23.413 1.00 30.09 ? 202 LEU B CA 1 ATOM 2423 C C . LEU B 1 124 ? 15.983 20.199 -22.324 1.00 29.76 ? 202 LEU B C 1 ATOM 2424 O O . LEU B 1 124 ? 16.825 20.673 -21.570 1.00 29.93 ? 202 LEU B O 1 ATOM 2425 C CB . LEU B 1 124 ? 16.008 20.832 -24.784 1.00 30.03 ? 202 LEU B CB 1 ATOM 2426 C CG . LEU B 1 124 ? 15.295 21.541 -25.945 1.00 29.18 ? 202 LEU B CG 1 ATOM 2427 C CD1 . LEU B 1 124 ? 16.063 21.385 -27.247 1.00 29.65 ? 202 LEU B CD1 1 ATOM 2428 C CD2 . LEU B 1 124 ? 13.864 21.033 -26.096 1.00 28.90 ? 202 LEU B CD2 1 ATOM 2429 N N . THR B 1 125 ? 15.549 18.950 -22.221 1.00 29.22 ? 203 THR B N 1 ATOM 2430 C CA . THR B 1 125 ? 15.838 18.147 -21.035 1.00 29.00 ? 203 THR B CA 1 ATOM 2431 C C . THR B 1 125 ? 16.629 16.857 -21.294 1.00 28.57 ? 203 THR B C 1 ATOM 2432 O O . THR B 1 125 ? 17.077 16.206 -20.354 1.00 28.35 ? 203 THR B O 1 ATOM 2433 C CB . THR B 1 125 ? 14.532 17.792 -20.279 1.00 29.12 ? 203 THR B CB 1 ATOM 2434 O OG1 . THR B 1 125 ? 13.727 16.922 -21.084 1.00 29.34 ? 203 THR B OG1 1 ATOM 2435 C CG2 . THR B 1 125 ? 13.723 19.044 -19.949 1.00 29.65 ? 203 THR B CG2 1 ATOM 2436 N N . ILE B 1 126 ? 16.800 16.496 -22.561 1.00 28.59 ? 204 ILE B N 1 ATOM 2437 C CA . ILE B 1 126 ? 17.330 15.178 -22.921 1.00 28.46 ? 204 ILE B CA 1 ATOM 2438 C C . ILE B 1 126 ? 18.690 15.232 -23.616 1.00 28.11 ? 204 ILE B C 1 ATOM 2439 O O . ILE B 1 126 ? 18.869 15.932 -24.617 1.00 28.48 ? 204 ILE B O 1 ATOM 2440 C CB . ILE B 1 126 ? 16.285 14.363 -23.745 1.00 28.84 ? 204 ILE B CB 1 ATOM 2441 C CG1 . ILE B 1 126 ? 15.076 14.029 -22.849 1.00 28.27 ? 204 ILE B CG1 1 ATOM 2442 C CG2 . ILE B 1 126 ? 16.913 13.094 -24.354 1.00 28.12 ? 204 ILE B CG2 1 ATOM 2443 C CD1 . ILE B 1 126 ? 14.030 13.171 -23.484 1.00 29.74 ? 204 ILE B CD1 1 ATOM 2444 N N . PHE B 1 127 ? 19.647 14.489 -23.065 1.00 27.17 ? 205 PHE B N 1 ATOM 2445 C CA . PHE B 1 127 ? 20.951 14.297 -23.682 1.00 26.52 ? 205 PHE B CA 1 ATOM 2446 C C . PHE B 1 127 ? 20.766 13.156 -24.687 1.00 26.37 ? 205 PHE B C 1 ATOM 2447 O O . PHE B 1 127 ? 20.848 11.975 -24.327 1.00 26.30 ? 205 PHE B O 1 ATOM 2448 C CB . PHE B 1 127 ? 21.989 13.981 -22.599 1.00 25.94 ? 205 PHE B CB 1 ATOM 2449 C CG . PHE B 1 127 ? 23.423 13.977 -23.074 1.00 25.50 ? 205 PHE B CG 1 ATOM 2450 C CD1 . PHE B 1 127 ? 23.775 14.346 -24.380 1.00 24.38 ? 205 PHE B CD1 1 ATOM 2451 C CD2 . PHE B 1 127 ? 24.437 13.626 -22.189 1.00 25.60 ? 205 PHE B CD2 1 ATOM 2452 C CE1 . PHE B 1 127 ? 25.110 14.330 -24.789 1.00 24.75 ? 205 PHE B CE1 1 ATOM 2453 C CE2 . PHE B 1 127 ? 25.778 13.606 -22.594 1.00 23.34 ? 205 PHE B CE2 1 ATOM 2454 C CZ . PHE B 1 127 ? 26.114 13.967 -23.887 1.00 24.87 ? 205 PHE B CZ 1 ATOM 2455 N N . ASN B 1 128 ? 20.520 13.551 -25.941 1.00 25.84 ? 206 ASN B N 1 ATOM 2456 C CA A ASN B 1 128 ? 20.039 12.668 -27.009 0.49 25.92 ? 206 ASN B CA 1 ATOM 2457 C CA B ASN B 1 128 ? 20.027 12.638 -26.964 0.51 26.09 ? 206 ASN B CA 1 ATOM 2458 C C . ASN B 1 128 ? 21.132 11.861 -27.681 1.00 25.84 ? 206 ASN B C 1 ATOM 2459 O O . ASN B 1 128 ? 22.135 12.429 -28.092 1.00 26.20 ? 206 ASN B O 1 ATOM 2460 C CB A ASN B 1 128 ? 19.363 13.496 -28.110 0.49 25.94 ? 206 ASN B CB 1 ATOM 2461 C CB B ASN B 1 128 ? 19.153 13.403 -27.974 0.51 26.26 ? 206 ASN B CB 1 ATOM 2462 C CG A ASN B 1 128 ? 17.961 13.908 -27.759 0.49 26.02 ? 206 ASN B CG 1 ATOM 2463 C CG B ASN B 1 128 ? 18.463 12.487 -28.981 0.51 27.08 ? 206 ASN B CG 1 ATOM 2464 O OD1 A ASN B 1 128 ? 16.994 13.275 -28.179 0.49 25.65 ? 206 ASN B OD1 1 ATOM 2465 O OD1 B ASN B 1 128 ? 17.846 11.484 -28.622 0.51 28.62 ? 206 ASN B OD1 1 ATOM 2466 N ND2 A ASN B 1 128 ? 17.836 14.987 -26.996 0.49 27.39 ? 206 ASN B ND2 1 ATOM 2467 N ND2 B ASN B 1 128 ? 18.551 12.847 -30.248 0.51 28.26 ? 206 ASN B ND2 1 ATOM 2468 N N . THR B 1 129 ? 20.924 10.551 -27.817 1.00 25.34 ? 207 THR B N 1 ATOM 2469 C CA . THR B 1 129 ? 21.805 9.691 -28.627 1.00 25.04 ? 207 THR B CA 1 ATOM 2470 C C . THR B 1 129 ? 23.293 9.897 -28.351 1.00 25.05 ? 207 THR B C 1 ATOM 2471 O O . THR B 1 129 ? 24.056 10.273 -29.240 1.00 25.23 ? 207 THR B O 1 ATOM 2472 C CB . THR B 1 129 ? 21.510 9.875 -30.157 1.00 25.07 ? 207 THR B CB 1 ATOM 2473 O OG1 . THR B 1 129 ? 20.095 9.940 -30.361 1.00 25.41 ? 207 THR B OG1 1 ATOM 2474 C CG2 . THR B 1 129 ? 22.095 8.734 -30.999 1.00 23.65 ? 207 THR B CG2 1 ATOM 2475 N N . GLN B 1 130 ? 23.704 9.640 -27.114 1.00 24.79 ? 208 GLN B N 1 ATOM 2476 C CA . GLN B 1 130 ? 25.112 9.696 -26.741 1.00 24.94 ? 208 GLN B CA 1 ATOM 2477 C C . GLN B 1 130 ? 25.901 8.631 -27.505 1.00 25.12 ? 208 GLN B C 1 ATOM 2478 O O . GLN B 1 130 ? 25.502 7.469 -27.542 1.00 25.56 ? 208 GLN B O 1 ATOM 2479 C CB . GLN B 1 130 ? 25.245 9.523 -25.224 1.00 24.94 ? 208 GLN B CB 1 ATOM 2480 C CG . GLN B 1 130 ? 24.526 10.635 -24.476 1.00 25.05 ? 208 GLN B CG 1 ATOM 2481 C CD . GLN B 1 130 ? 24.077 10.255 -23.083 1.00 26.76 ? 208 GLN B CD 1 ATOM 2482 O OE1 . GLN B 1 130 ? 22.900 10.433 -22.724 1.00 27.72 ? 208 GLN B OE1 1 ATOM 2483 N NE2 . GLN B 1 130 ? 25.002 9.749 -22.284 1.00 25.08 ? 208 GLN B NE2 1 ATOM 2484 N N . ALA B 1 131 ? 27.011 9.035 -28.114 1.00 24.88 ? 209 ALA B N 1 ATOM 2485 C CA . ALA B 1 131 ? 27.704 8.188 -29.081 1.00 25.37 ? 209 ALA B CA 1 ATOM 2486 C C . ALA B 1 131 ? 29.106 7.747 -28.663 1.00 25.73 ? 209 ALA B C 1 ATOM 2487 O O . ALA B 1 131 ? 29.555 6.664 -29.037 1.00 25.62 ? 209 ALA B O 1 ATOM 2488 C CB . ALA B 1 131 ? 27.742 8.872 -30.440 1.00 25.26 ? 209 ALA B CB 1 ATOM 2489 N N . GLN B 1 132 ? 29.790 8.581 -27.884 1.00 26.20 ? 210 GLN B N 1 ATOM 2490 C CA . GLN B 1 132 ? 31.128 8.249 -27.408 1.00 26.57 ? 210 GLN B CA 1 ATOM 2491 C C . GLN B 1 132 ? 31.475 8.962 -26.102 1.00 26.60 ? 210 GLN B C 1 ATOM 2492 O O . GLN B 1 132 ? 30.956 10.043 -25.811 1.00 26.40 ? 210 GLN B O 1 ATOM 2493 C CB . GLN B 1 132 ? 32.187 8.558 -28.481 1.00 26.67 ? 210 GLN B CB 1 ATOM 2494 C CG . GLN B 1 132 ? 32.276 10.037 -28.871 1.00 26.99 ? 210 GLN B CG 1 ATOM 2495 C CD . GLN B 1 132 ? 33.534 10.382 -29.639 1.00 27.96 ? 210 GLN B CD 1 ATOM 2496 O OE1 . GLN B 1 132 ? 34.243 11.333 -29.286 1.00 30.04 ? 210 GLN B OE1 1 ATOM 2497 N NE2 . GLN B 1 132 ? 33.819 9.624 -30.696 1.00 27.81 ? 210 GLN B NE2 1 ATOM 2498 N N . ILE B 1 133 ? 32.348 8.328 -25.326 1.00 26.35 ? 211 ILE B N 1 ATOM 2499 C CA . ILE B 1 133 ? 32.962 8.924 -24.139 1.00 26.37 ? 211 ILE B CA 1 ATOM 2500 C C . ILE B 1 133 ? 34.457 9.020 -24.415 1.00 26.48 ? 211 ILE B C 1 ATOM 2501 O O . ILE B 1 133 ? 35.138 7.993 -24.552 1.00 26.61 ? 211 ILE B O 1 ATOM 2502 C CB . ILE B 1 133 ? 32.718 8.065 -22.856 1.00 26.49 ? 211 ILE B CB 1 ATOM 2503 C CG1 . ILE B 1 133 ? 31.232 7.688 -22.720 1.00 26.83 ? 211 ILE B CG1 1 ATOM 2504 C CG2 . ILE B 1 133 ? 33.267 8.788 -21.587 1.00 26.48 ? 211 ILE B CG2 1 ATOM 2505 C CD1 . ILE B 1 133 ? 30.909 6.681 -21.594 1.00 26.50 ? 211 ILE B CD1 1 ATOM 2506 N N . ALA B 1 134 ? 34.959 10.247 -24.526 1.00 26.05 ? 212 ALA B N 1 ATOM 2507 C CA . ALA B 1 134 ? 36.384 10.481 -24.709 1.00 26.76 ? 212 ALA B CA 1 ATOM 2508 C C . ALA B 1 134 ? 37.012 10.885 -23.383 1.00 26.86 ? 212 ALA B C 1 ATOM 2509 O O . ALA B 1 134 ? 36.577 11.857 -22.765 1.00 27.09 ? 212 ALA B O 1 ATOM 2510 C CB . ALA B 1 134 ? 36.623 11.559 -25.775 1.00 26.27 ? 212 ALA B CB 1 ATOM 2511 N N . ILE B 1 135 ? 38.014 10.127 -22.940 1.00 27.08 ? 213 ILE B N 1 ATOM 2512 C CA . ILE B 1 135 ? 38.715 10.402 -21.678 1.00 27.07 ? 213 ILE B CA 1 ATOM 2513 C C . ILE B 1 135 ? 40.161 10.827 -21.961 1.00 27.56 ? 213 ILE B C 1 ATOM 2514 O O . ILE B 1 135 ? 40.904 10.102 -22.630 1.00 27.91 ? 213 ILE B O 1 ATOM 2515 C CB . ILE B 1 135 ? 38.714 9.152 -20.754 1.00 27.50 ? 213 ILE B CB 1 ATOM 2516 C CG1 . ILE B 1 135 ? 37.280 8.667 -20.503 1.00 26.58 ? 213 ILE B CG1 1 ATOM 2517 C CG2 . ILE B 1 135 ? 39.453 9.430 -19.426 1.00 25.81 ? 213 ILE B CG2 1 ATOM 2518 C CD1 . ILE B 1 135 ? 37.211 7.207 -20.114 1.00 27.48 ? 213 ILE B CD1 1 ATOM 2519 N N . GLY B 1 136 ? 40.566 11.992 -21.460 1.00 28.01 ? 214 GLY B N 1 ATOM 2520 C CA . GLY B 1 136 ? 41.953 12.448 -21.630 1.00 28.62 ? 214 GLY B CA 1 ATOM 2521 C C . GLY B 1 136 ? 42.157 13.760 -22.367 1.00 29.35 ? 214 GLY B C 1 ATOM 2522 O O . GLY B 1 136 ? 43.227 14.368 -22.271 1.00 29.73 ? 214 GLY B O 1 ATOM 2523 N N . GLY B 1 137 ? 41.147 14.182 -23.124 1.00 30.16 ? 215 GLY B N 1 ATOM 2524 C CA . GLY B 1 137 ? 41.116 15.511 -23.741 1.00 31.18 ? 215 GLY B CA 1 ATOM 2525 C C . GLY B 1 137 ? 42.001 15.757 -24.947 1.00 32.38 ? 215 GLY B C 1 ATOM 2526 O O . GLY B 1 137 ? 41.908 16.820 -25.568 1.00 32.44 ? 215 GLY B O 1 ATOM 2527 N N . LYS B 1 138 ? 42.861 14.792 -25.273 1.00 33.22 ? 216 LYS B N 1 ATOM 2528 C CA . LYS B 1 138 ? 43.880 14.974 -26.317 1.00 34.42 ? 216 LYS B CA 1 ATOM 2529 C C . LYS B 1 138 ? 43.248 15.186 -27.694 1.00 35.00 ? 216 LYS B C 1 ATOM 2530 O O . LYS B 1 138 ? 43.776 15.939 -28.518 1.00 35.34 ? 216 LYS B O 1 ATOM 2531 C CB . LYS B 1 138 ? 44.867 13.797 -26.340 1.00 34.27 ? 216 LYS B CB 1 ATOM 2532 C CG . LYS B 1 138 ? 46.033 13.984 -27.317 1.00 34.76 ? 216 LYS B CG 1 ATOM 2533 C CD . LYS B 1 138 ? 47.153 12.985 -27.067 1.00 34.32 ? 216 LYS B CD 1 ATOM 2534 C CE . LYS B 1 138 ? 48.285 13.176 -28.061 1.00 34.75 ? 216 LYS B CE 1 ATOM 2535 N NZ . LYS B 1 138 ? 49.440 12.258 -27.792 1.00 34.42 ? 216 LYS B NZ 1 ATOM 2536 N N . ASP B 1 139 ? 42.112 14.526 -27.922 1.00 35.91 ? 217 ASP B N 1 ATOM 2537 C CA . ASP B 1 139 ? 41.360 14.657 -29.165 1.00 36.75 ? 217 ASP B CA 1 ATOM 2538 C C . ASP B 1 139 ? 40.875 16.090 -29.429 1.00 37.15 ? 217 ASP B C 1 ATOM 2539 O O . ASP B 1 139 ? 40.696 16.484 -30.587 1.00 37.26 ? 217 ASP B O 1 ATOM 2540 C CB . ASP B 1 139 ? 40.199 13.650 -29.217 1.00 37.06 ? 217 ASP B CB 1 ATOM 2541 C CG . ASP B 1 139 ? 39.173 13.855 -28.110 1.00 37.71 ? 217 ASP B CG 1 ATOM 2542 O OD1 . ASP B 1 139 ? 37.969 13.673 -28.399 1.00 38.84 ? 217 ASP B OD1 1 ATOM 2543 O OD2 . ASP B 1 139 ? 39.554 14.177 -26.954 1.00 39.32 ? 217 ASP B OD2 1 ATOM 2544 N N . LYS B 1 140 ? 40.678 16.863 -28.359 1.00 37.49 ? 218 LYS B N 1 ATOM 2545 C CA A LYS B 1 140 ? 40.244 18.253 -28.484 0.53 37.62 ? 218 LYS B CA 1 ATOM 2546 C CA B LYS B 1 140 ? 40.253 18.255 -28.494 0.47 37.60 ? 218 LYS B CA 1 ATOM 2547 C C . LYS B 1 140 ? 41.380 19.245 -28.207 1.00 37.73 ? 218 LYS B C 1 ATOM 2548 O O . LYS B 1 140 ? 41.138 20.438 -27.969 1.00 38.18 ? 218 LYS B O 1 ATOM 2549 C CB A LYS B 1 140 ? 39.022 18.533 -27.596 0.53 37.72 ? 218 LYS B CB 1 ATOM 2550 C CB B LYS B 1 140 ? 39.019 18.537 -27.636 0.47 37.66 ? 218 LYS B CB 1 ATOM 2551 C CG A LYS B 1 140 ? 37.851 17.571 -27.827 0.53 38.06 ? 218 LYS B CG 1 ATOM 2552 C CG B LYS B 1 140 ? 37.724 18.107 -28.311 0.47 37.87 ? 218 LYS B CG 1 ATOM 2553 C CD A LYS B 1 140 ? 36.524 18.299 -28.042 0.53 38.97 ? 218 LYS B CD 1 ATOM 2554 C CD B LYS B 1 140 ? 36.493 18.440 -27.487 0.47 38.22 ? 218 LYS B CD 1 ATOM 2555 C CE A LYS B 1 140 ? 36.344 18.718 -29.497 0.53 39.00 ? 218 LYS B CE 1 ATOM 2556 C CE B LYS B 1 140 ? 36.055 19.887 -27.651 0.47 37.94 ? 218 LYS B CE 1 ATOM 2557 N NZ A LYS B 1 140 ? 34.941 19.123 -29.823 0.53 39.71 ? 218 LYS B NZ 1 ATOM 2558 N NZ B LYS B 1 140 ? 36.571 20.760 -26.563 0.47 37.90 ? 218 LYS B NZ 1 ATOM 2559 N N . GLY B 1 141 ? 42.617 18.751 -28.254 1.00 37.38 ? 219 GLY B N 1 ATOM 2560 C CA . GLY B 1 141 ? 43.799 19.595 -28.067 1.00 36.85 ? 219 GLY B CA 1 ATOM 2561 C C . GLY B 1 141 ? 43.895 20.238 -26.695 1.00 36.66 ? 219 GLY B C 1 ATOM 2562 O O . GLY B 1 141 ? 44.516 21.294 -26.544 1.00 36.46 ? 219 GLY B O 1 ATOM 2563 N N . ARG B 1 142 ? 43.262 19.613 -25.702 1.00 35.67 ? 220 ARG B N 1 ATOM 2564 C CA . ARG B 1 142 ? 43.329 20.081 -24.316 1.00 35.39 ? 220 ARG B CA 1 ATOM 2565 C C . ARG B 1 142 ? 43.654 18.907 -23.397 1.00 34.32 ? 220 ARG B C 1 ATOM 2566 O O . ARG B 1 142 ? 42.788 18.396 -22.684 1.00 33.91 ? 220 ARG B O 1 ATOM 2567 C CB . ARG B 1 142 ? 42.030 20.777 -23.900 1.00 35.22 ? 220 ARG B CB 1 ATOM 2568 C CG . ARG B 1 142 ? 41.839 22.169 -24.514 1.00 36.37 ? 220 ARG B CG 1 ATOM 2569 C CD . ARG B 1 142 ? 40.579 22.840 -23.987 1.00 36.67 ? 220 ARG B CD 1 ATOM 2570 N NE . ARG B 1 142 ? 40.634 23.081 -22.540 1.00 38.38 ? 220 ARG B NE 1 ATOM 2571 C CZ . ARG B 1 142 ? 39.570 23.317 -21.773 1.00 39.04 ? 220 ARG B CZ 1 ATOM 2572 N NH1 . ARG B 1 142 ? 38.349 23.333 -22.299 1.00 40.08 ? 220 ARG B NH1 1 ATOM 2573 N NH2 . ARG B 1 142 ? 39.721 23.525 -20.475 1.00 38.14 ? 220 ARG B NH2 1 ATOM 2574 N N . LEU B 1 143 ? 44.923 18.507 -23.431 1.00 33.38 ? 221 LEU B N 1 ATOM 2575 C CA . LEU B 1 143 ? 45.424 17.286 -22.802 1.00 32.93 ? 221 LEU B CA 1 ATOM 2576 C C . LEU B 1 143 ? 45.314 17.260 -21.277 1.00 31.75 ? 221 LEU B C 1 ATOM 2577 O O . LEU B 1 143 ? 45.753 18.184 -20.594 1.00 31.71 ? 221 LEU B O 1 ATOM 2578 C CB . LEU B 1 143 ? 46.890 17.069 -23.209 1.00 33.41 ? 221 LEU B CB 1 ATOM 2579 C CG . LEU B 1 143 ? 47.265 16.653 -24.640 1.00 35.01 ? 221 LEU B CG 1 ATOM 2580 C CD1 . LEU B 1 143 ? 46.604 17.502 -25.740 1.00 37.05 ? 221 LEU B CD1 1 ATOM 2581 C CD2 . LEU B 1 143 ? 48.784 16.682 -24.799 1.00 33.40 ? 221 LEU B CD2 1 ATOM 2582 N N . PHE B 1 144 ? 44.725 16.193 -20.742 1.00 30.52 ? 222 PHE B N 1 ATOM 2583 C CA . PHE B 1 144 ? 44.825 15.929 -19.311 1.00 29.08 ? 222 PHE B CA 1 ATOM 2584 C C . PHE B 1 144 ? 46.154 15.225 -19.017 1.00 28.71 ? 222 PHE B C 1 ATOM 2585 O O . PHE B 1 144 ? 46.541 14.283 -19.719 1.00 28.27 ? 222 PHE B O 1 ATOM 2586 C CB . PHE B 1 144 ? 43.656 15.066 -18.814 1.00 28.80 ? 222 PHE B CB 1 ATOM 2587 C CG . PHE B 1 144 ? 43.754 14.697 -17.355 1.00 28.66 ? 222 PHE B CG 1 ATOM 2588 C CD1 . PHE B 1 144 ? 43.404 15.616 -16.367 1.00 28.00 ? 222 PHE B CD1 1 ATOM 2589 C CD2 . PHE B 1 144 ? 44.216 13.437 -16.966 1.00 27.81 ? 222 PHE B CD2 1 ATOM 2590 C CE1 . PHE B 1 144 ? 43.501 15.279 -15.008 1.00 28.28 ? 222 PHE B CE1 1 ATOM 2591 C CE2 . PHE B 1 144 ? 44.329 13.101 -15.614 1.00 27.55 ? 222 PHE B CE2 1 ATOM 2592 C CZ . PHE B 1 144 ? 43.963 14.022 -14.637 1.00 27.60 ? 222 PHE B CZ 1 ATOM 2593 N N . GLN B 1 145 ? 46.855 15.706 -17.993 1.00 27.98 ? 223 GLN B N 1 ATOM 2594 C CA A GLN B 1 145 ? 48.058 15.045 -17.498 0.48 28.03 ? 223 GLN B CA 1 ATOM 2595 C CA B GLN B 1 145 ? 48.049 15.033 -17.501 0.52 27.92 ? 223 GLN B CA 1 ATOM 2596 C C . GLN B 1 145 ? 47.847 14.727 -16.023 1.00 28.08 ? 223 GLN B C 1 ATOM 2597 O O . GLN B 1 145 ? 47.461 15.604 -15.241 1.00 28.18 ? 223 GLN B O 1 ATOM 2598 C CB A GLN B 1 145 ? 49.293 15.938 -17.676 0.48 27.68 ? 223 GLN B CB 1 ATOM 2599 C CB B GLN B 1 145 ? 49.300 15.893 -17.720 0.52 27.56 ? 223 GLN B CB 1 ATOM 2600 C CG A GLN B 1 145 ? 49.653 16.266 -19.125 0.48 27.95 ? 223 GLN B CG 1 ATOM 2601 C CG B GLN B 1 145 ? 50.612 15.197 -17.360 0.52 27.74 ? 223 GLN B CG 1 ATOM 2602 C CD A GLN B 1 145 ? 50.499 17.529 -19.265 0.48 28.19 ? 223 GLN B CD 1 ATOM 2603 C CD B GLN B 1 145 ? 51.843 16.058 -17.605 0.52 27.78 ? 223 GLN B CD 1 ATOM 2604 O OE1 A GLN B 1 145 ? 50.829 18.190 -18.279 0.48 28.68 ? 223 GLN B OE1 1 ATOM 2605 O OE1 B GLN B 1 145 ? 51.807 17.020 -18.377 0.52 28.07 ? 223 GLN B OE1 1 ATOM 2606 N NE2 A GLN B 1 145 ? 50.850 17.867 -20.500 0.48 28.28 ? 223 GLN B NE2 1 ATOM 2607 N NE2 B GLN B 1 145 ? 52.946 15.703 -16.956 0.52 26.05 ? 223 GLN B NE2 1 ATOM 2608 N N . GLY B 1 146 ? 48.090 13.477 -15.649 1.00 28.28 ? 224 GLY B N 1 ATOM 2609 C CA . GLY B 1 146 ? 47.920 13.046 -14.272 1.00 28.57 ? 224 GLY B CA 1 ATOM 2610 C C . GLY B 1 146 ? 47.248 11.695 -14.171 1.00 28.88 ? 224 GLY B C 1 ATOM 2611 O O . GLY B 1 146 ? 47.374 10.848 -15.063 1.00 29.04 ? 224 GLY B O 1 ATOM 2612 N N . GLN B 1 147 ? 46.521 11.505 -13.081 1.00 28.48 ? 225 GLN B N 1 ATOM 2613 C CA . GLN B 1 147 ? 45.960 10.211 -12.747 1.00 29.23 ? 225 GLN B CA 1 ATOM 2614 C C . GLN B 1 147 ? 44.443 10.295 -12.735 1.00 28.18 ? 225 GLN B C 1 ATOM 2615 O O . GLN B 1 147 ? 43.888 11.240 -12.186 1.00 26.92 ? 225 GLN B O 1 ATOM 2616 C CB . GLN B 1 147 ? 46.490 9.787 -11.380 1.00 29.66 ? 225 GLN B CB 1 ATOM 2617 C CG . GLN B 1 147 ? 46.091 8.389 -10.925 1.00 33.30 ? 225 GLN B CG 1 ATOM 2618 C CD . GLN B 1 147 ? 47.028 7.880 -9.848 1.00 38.34 ? 225 GLN B CD 1 ATOM 2619 O OE1 . GLN B 1 147 ? 48.224 8.173 -9.871 1.00 39.21 ? 225 GLN B OE1 1 ATOM 2620 N NE2 . GLN B 1 147 ? 46.490 7.142 -8.883 1.00 41.15 ? 225 GLN B NE2 1 ATOM 2621 N N . LEU B 1 148 ? 43.786 9.321 -13.371 1.00 28.16 ? 226 LEU B N 1 ATOM 2622 C CA . LEU B 1 148 ? 42.325 9.176 -13.302 1.00 28.08 ? 226 LEU B CA 1 ATOM 2623 C C . LEU B 1 148 ? 41.950 7.817 -12.740 1.00 28.60 ? 226 LEU B C 1 ATOM 2624 O O . LEU B 1 148 ? 42.548 6.805 -13.109 1.00 28.16 ? 226 LEU B O 1 ATOM 2625 C CB . LEU B 1 148 ? 41.656 9.371 -14.666 1.00 28.23 ? 226 LEU B CB 1 ATOM 2626 C CG . LEU B 1 148 ? 41.696 10.761 -15.310 1.00 29.20 ? 226 LEU B CG 1 ATOM 2627 C CD1 . LEU B 1 148 ? 41.024 10.711 -16.665 1.00 29.02 ? 226 LEU B CD1 1 ATOM 2628 C CD2 . LEU B 1 148 ? 41.023 11.817 -14.436 1.00 27.77 ? 226 LEU B CD2 1 ATOM 2629 N N . SER B 1 149 ? 40.953 7.812 -11.854 1.00 28.64 ? 227 SER B N 1 ATOM 2630 C CA A SER B 1 149 ? 40.557 6.617 -11.104 0.40 29.17 ? 227 SER B CA 1 ATOM 2631 C CA B SER B 1 149 ? 40.556 6.609 -11.149 0.60 29.07 ? 227 SER B CA 1 ATOM 2632 C C . SER B 1 149 ? 39.047 6.554 -10.930 1.00 29.28 ? 227 SER B C 1 ATOM 2633 O O . SER B 1 149 ? 38.410 7.576 -10.671 1.00 29.42 ? 227 SER B O 1 ATOM 2634 C CB A SER B 1 149 ? 41.173 6.617 -9.698 0.40 29.05 ? 227 SER B CB 1 ATOM 2635 C CB B SER B 1 149 ? 41.265 6.536 -9.797 0.60 28.92 ? 227 SER B CB 1 ATOM 2636 O OG A SER B 1 149 ? 42.486 7.129 -9.689 0.40 30.10 ? 227 SER B OG 1 ATOM 2637 O OG B SER B 1 149 ? 40.876 5.369 -9.107 0.60 29.49 ? 227 SER B OG 1 ATOM 2638 N N . GLY B 1 150 ? 38.496 5.351 -11.046 1.00 29.46 ? 228 GLY B N 1 ATOM 2639 C CA . GLY B 1 150 ? 37.098 5.077 -10.723 1.00 30.39 ? 228 GLY B CA 1 ATOM 2640 C C . GLY B 1 150 ? 36.065 5.881 -11.483 1.00 30.84 ? 228 GLY B C 1 ATOM 2641 O O . GLY B 1 150 ? 35.049 6.271 -10.909 1.00 32.05 ? 228 GLY B O 1 ATOM 2642 N N . LEU B 1 151 ? 36.313 6.133 -12.760 1.00 30.66 ? 229 LEU B N 1 ATOM 2643 C CA . LEU B 1 151 ? 35.367 6.890 -13.577 1.00 30.81 ? 229 LEU B CA 1 ATOM 2644 C C . LEU B 1 151 ? 34.032 6.146 -13.660 1.00 30.66 ? 229 LEU B C 1 ATOM 2645 O O . LEU B 1 151 ? 33.993 4.961 -13.984 1.00 29.70 ? 229 LEU B O 1 ATOM 2646 C CB . LEU B 1 151 ? 35.955 7.186 -14.963 1.00 30.79 ? 229 LEU B CB 1 ATOM 2647 C CG . LEU B 1 151 ? 35.170 7.845 -16.111 1.00 31.56 ? 229 LEU B CG 1 ATOM 2648 C CD1 . LEU B 1 151 ? 34.234 8.905 -15.653 1.00 31.88 ? 229 LEU B CD1 1 ATOM 2649 C CD2 . LEU B 1 151 ? 36.178 8.469 -17.051 1.00 31.60 ? 229 LEU B CD2 1 ATOM 2650 N N . TYR B 1 152 ? 32.960 6.853 -13.295 1.00 30.37 ? 230 TYR B N 1 ATOM 2651 C CA . TYR B 1 152 ? 31.598 6.338 -13.326 1.00 30.25 ? 230 TYR B CA 1 ATOM 2652 C C . TYR B 1 152 ? 30.769 7.274 -14.182 1.00 29.49 ? 230 TYR B C 1 ATOM 2653 O O . TYR B 1 152 ? 30.739 8.482 -13.928 1.00 29.21 ? 230 TYR B O 1 ATOM 2654 C CB . TYR B 1 152 ? 31.005 6.307 -11.913 1.00 31.98 ? 230 TYR B CB 1 ATOM 2655 C CG . TYR B 1 152 ? 29.544 5.851 -11.851 1.00 33.00 ? 230 TYR B CG 1 ATOM 2656 C CD1 . TYR B 1 152 ? 29.225 4.528 -11.577 1.00 33.57 ? 230 TYR B CD1 1 ATOM 2657 C CD2 . TYR B 1 152 ? 28.490 6.758 -12.063 1.00 34.62 ? 230 TYR B CD2 1 ATOM 2658 C CE1 . TYR B 1 152 ? 27.901 4.101 -11.511 1.00 34.83 ? 230 TYR B CE1 1 ATOM 2659 C CE2 . TYR B 1 152 ? 27.150 6.335 -12.016 1.00 34.23 ? 230 TYR B CE2 1 ATOM 2660 C CZ . TYR B 1 152 ? 26.870 5.009 -11.730 1.00 35.05 ? 230 TYR B CZ 1 ATOM 2661 O OH . TYR B 1 152 ? 25.559 4.575 -11.673 1.00 35.92 ? 230 TYR B OH 1 ATOM 2662 N N . TYR B 1 153 ? 30.104 6.735 -15.198 1.00 28.33 ? 231 TYR B N 1 ATOM 2663 C CA . TYR B 1 153 ? 29.176 7.542 -15.990 1.00 27.76 ? 231 TYR B CA 1 ATOM 2664 C C . TYR B 1 153 ? 27.932 6.735 -16.286 1.00 27.39 ? 231 TYR B C 1 ATOM 2665 O O . TYR B 1 153 ? 27.992 5.748 -17.006 1.00 26.84 ? 231 TYR B O 1 ATOM 2666 C CB . TYR B 1 153 ? 29.803 8.028 -17.307 1.00 27.66 ? 231 TYR B CB 1 ATOM 2667 C CG . TYR B 1 153 ? 28.829 8.850 -18.150 1.00 27.66 ? 231 TYR B CG 1 ATOM 2668 C CD1 . TYR B 1 153 ? 28.419 10.120 -17.720 1.00 26.80 ? 231 TYR B CD1 1 ATOM 2669 C CD2 . TYR B 1 153 ? 28.293 8.351 -19.339 1.00 26.49 ? 231 TYR B CD2 1 ATOM 2670 C CE1 . TYR B 1 153 ? 27.532 10.881 -18.444 1.00 27.26 ? 231 TYR B CE1 1 ATOM 2671 C CE2 . TYR B 1 153 ? 27.382 9.124 -20.094 1.00 27.49 ? 231 TYR B CE2 1 ATOM 2672 C CZ . TYR B 1 153 ? 27.020 10.390 -19.630 1.00 27.91 ? 231 TYR B CZ 1 ATOM 2673 O OH . TYR B 1 153 ? 26.136 11.179 -20.315 1.00 28.41 ? 231 TYR B OH 1 ATOM 2674 N N . ASP B 1 154 ? 26.808 7.160 -15.719 1.00 27.26 ? 232 ASP B N 1 ATOM 2675 C CA . ASP B 1 154 ? 25.522 6.502 -15.945 1.00 27.26 ? 232 ASP B CA 1 ATOM 2676 C C . ASP B 1 154 ? 25.605 4.980 -15.824 1.00 27.45 ? 232 ASP B C 1 ATOM 2677 O O . ASP B 1 154 ? 25.081 4.250 -16.671 1.00 26.72 ? 232 ASP B O 1 ATOM 2678 C CB . ASP B 1 154 ? 24.940 6.906 -17.304 1.00 27.04 ? 232 ASP B CB 1 ATOM 2679 C CG . ASP B 1 154 ? 24.588 8.385 -17.372 1.00 28.33 ? 232 ASP B CG 1 ATOM 2680 O OD1 . ASP B 1 154 ? 24.724 9.097 -16.353 1.00 27.94 ? 232 ASP B OD1 1 ATOM 2681 O OD2 . ASP B 1 154 ? 24.176 8.836 -18.451 1.00 27.49 ? 232 ASP B OD2 1 ATOM 2682 N N . GLY B 1 155 ? 26.279 4.508 -14.778 1.00 27.56 ? 233 GLY B N 1 ATOM 2683 C CA . GLY B 1 155 ? 26.361 3.075 -14.506 1.00 28.13 ? 233 GLY B CA 1 ATOM 2684 C C . GLY B 1 155 ? 27.532 2.388 -15.175 1.00 28.52 ? 233 GLY B C 1 ATOM 2685 O O . GLY B 1 155 ? 27.815 1.225 -14.886 1.00 28.68 ? 233 GLY B O 1 ATOM 2686 N N . LEU B 1 156 ? 28.209 3.104 -16.071 1.00 28.42 ? 234 LEU B N 1 ATOM 2687 C CA . LEU B 1 156 ? 29.375 2.576 -16.781 1.00 28.42 ? 234 LEU B CA 1 ATOM 2688 C C . LEU B 1 156 ? 30.659 2.928 -16.038 1.00 28.19 ? 234 LEU B C 1 ATOM 2689 O O . LEU B 1 156 ? 30.954 4.100 -15.804 1.00 27.84 ? 234 LEU B O 1 ATOM 2690 C CB . LEU B 1 156 ? 29.451 3.130 -18.212 1.00 28.33 ? 234 LEU B CB 1 ATOM 2691 C CG . LEU B 1 156 ? 28.342 2.887 -19.249 1.00 29.25 ? 234 LEU B CG 1 ATOM 2692 C CD1 . LEU B 1 156 ? 28.702 3.604 -20.556 1.00 28.14 ? 234 LEU B CD1 1 ATOM 2693 C CD2 . LEU B 1 156 ? 28.083 1.382 -19.501 1.00 28.99 ? 234 LEU B CD2 1 ATOM 2694 N N . LYS B 1 157 ? 31.420 1.908 -15.670 1.00 28.36 ? 235 LYS B N 1 ATOM 2695 C CA . LYS B 1 157 ? 32.711 2.125 -15.031 1.00 28.88 ? 235 LYS B CA 1 ATOM 2696 C C . LYS B 1 157 ? 33.773 2.006 -16.129 1.00 28.48 ? 235 LYS B C 1 ATOM 2697 O O . LYS B 1 157 ? 34.374 0.943 -16.338 1.00 28.15 ? 235 LYS B O 1 ATOM 2698 C CB . LYS B 1 157 ? 32.907 1.146 -13.868 1.00 28.58 ? 235 LYS B CB 1 ATOM 2699 C CG . LYS B 1 157 ? 32.015 1.493 -12.663 1.00 29.99 ? 235 LYS B CG 1 ATOM 2700 C CD . LYS B 1 157 ? 32.065 0.439 -11.568 1.00 31.06 ? 235 LYS B CD 1 ATOM 2701 C CE . LYS B 1 157 ? 31.244 0.863 -10.354 1.00 33.65 ? 235 LYS B CE 1 ATOM 2702 N NZ . LYS B 1 157 ? 31.171 -0.250 -9.373 1.00 37.11 ? 235 LYS B NZ 1 ATOM 2703 N N . VAL B 1 158 ? 33.974 3.113 -16.836 1.00 27.98 ? 236 VAL B N 1 ATOM 2704 C CA . VAL B 1 158 ? 34.659 3.096 -18.138 1.00 27.82 ? 236 VAL B CA 1 ATOM 2705 C C . VAL B 1 158 ? 36.125 2.676 -18.045 1.00 27.08 ? 236 VAL B C 1 ATOM 2706 O O . VAL B 1 158 ? 36.626 1.966 -18.917 1.00 27.25 ? 236 VAL B O 1 ATOM 2707 C CB . VAL B 1 158 ? 34.503 4.434 -18.893 1.00 28.18 ? 236 VAL B CB 1 ATOM 2708 C CG1 . VAL B 1 158 ? 35.101 4.324 -20.306 1.00 28.66 ? 236 VAL B CG1 1 ATOM 2709 C CG2 . VAL B 1 158 ? 33.027 4.813 -18.988 1.00 29.04 ? 236 VAL B CG2 1 ATOM 2710 N N . LEU B 1 159 ? 36.809 3.118 -16.993 1.00 26.73 ? 237 LEU B N 1 ATOM 2711 C CA . LEU B 1 159 ? 38.191 2.694 -16.760 1.00 26.69 ? 237 LEU B CA 1 ATOM 2712 C C . LEU B 1 159 ? 38.296 1.206 -16.447 1.00 26.65 ? 237 LEU B C 1 ATOM 2713 O O . LEU B 1 159 ? 39.233 0.555 -16.903 1.00 26.57 ? 237 LEU B O 1 ATOM 2714 C CB . LEU B 1 159 ? 38.871 3.543 -15.675 1.00 26.05 ? 237 LEU B CB 1 ATOM 2715 C CG . LEU B 1 159 ? 38.922 5.052 -15.962 1.00 26.82 ? 237 LEU B CG 1 ATOM 2716 C CD1 . LEU B 1 159 ? 39.725 5.805 -14.890 1.00 26.25 ? 237 LEU B CD1 1 ATOM 2717 C CD2 . LEU B 1 159 ? 39.479 5.343 -17.368 1.00 26.54 ? 237 LEU B CD2 1 ATOM 2718 N N . ASN B 1 160 ? 37.343 0.678 -15.675 1.00 27.26 ? 238 ASN B N 1 ATOM 2719 C CA . ASN B 1 160 ? 37.264 -0.766 -15.398 1.00 28.26 ? 238 ASN B CA 1 ATOM 2720 C C . ASN B 1 160 ? 37.088 -1.559 -16.689 1.00 28.18 ? 238 ASN B C 1 ATOM 2721 O O . ASN B 1 160 ? 37.689 -2.617 -16.856 1.00 27.85 ? 238 ASN B O 1 ATOM 2722 C CB . ASN B 1 160 ? 36.091 -1.107 -14.466 1.00 28.58 ? 238 ASN B CB 1 ATOM 2723 C CG . ASN B 1 160 ? 36.369 -0.799 -13.004 1.00 31.23 ? 238 ASN B CG 1 ATOM 2724 O OD1 . ASN B 1 160 ? 37.373 -0.171 -12.654 1.00 33.42 ? 238 ASN B OD1 1 ATOM 2725 N ND2 . ASN B 1 160 ? 35.451 -1.234 -12.130 1.00 32.68 ? 238 ASN B ND2 1 ATOM 2726 N N . MET B 1 161 ? 36.254 -1.032 -17.588 1.00 28.03 ? 239 MET B N 1 ATOM 2727 C CA . MET B 1 161 ? 35.988 -1.653 -18.886 1.00 29.04 ? 239 MET B CA 1 ATOM 2728 C C . MET B 1 161 ? 37.221 -1.622 -19.792 1.00 27.99 ? 239 MET B C 1 ATOM 2729 O O . MET B 1 161 ? 37.517 -2.611 -20.469 1.00 27.88 ? 239 MET B O 1 ATOM 2730 C CB . MET B 1 161 ? 34.803 -0.964 -19.574 1.00 28.81 ? 239 MET B CB 1 ATOM 2731 C CG . MET B 1 161 ? 33.466 -1.145 -18.858 1.00 29.79 ? 239 MET B CG 1 ATOM 2732 S SD . MET B 1 161 ? 32.257 0.131 -19.290 1.00 33.21 ? 239 MET B SD 1 ATOM 2733 C CE . MET B 1 161 ? 31.685 -0.464 -20.862 1.00 32.24 ? 239 MET B CE 1 ATOM 2734 N N . ALA B 1 162 ? 37.936 -0.493 -19.788 1.00 27.28 ? 240 ALA B N 1 ATOM 2735 C CA . ALA B 1 162 ? 39.209 -0.366 -20.506 1.00 26.64 ? 240 ALA B CA 1 ATOM 2736 C C . ALA B 1 162 ? 40.203 -1.429 -20.022 1.00 26.77 ? 240 ALA B C 1 ATOM 2737 O O . ALA B 1 162 ? 40.813 -2.132 -20.828 1.00 25.76 ? 240 ALA B O 1 ATOM 2738 C CB . ALA B 1 162 ? 39.781 1.035 -20.331 1.00 26.50 ? 240 ALA B CB 1 ATOM 2739 N N . ALA B 1 163 ? 40.316 -1.563 -18.699 1.00 26.82 ? 241 ALA B N 1 ATOM 2740 C CA . ALA B 1 163 ? 41.214 -2.527 -18.064 1.00 27.46 ? 241 ALA B CA 1 ATOM 2741 C C . ALA B 1 163 ? 40.851 -3.973 -18.397 1.00 28.35 ? 241 ALA B C 1 ATOM 2742 O O . ALA B 1 163 ? 41.732 -4.829 -18.484 1.00 27.94 ? 241 ALA B O 1 ATOM 2743 C CB . ALA B 1 163 ? 41.233 -2.317 -16.553 1.00 27.06 ? 241 ALA B CB 1 ATOM 2744 N N . GLU B 1 164 ? 39.552 -4.226 -18.573 1.00 29.41 ? 242 GLU B N 1 ATOM 2745 C CA . GLU B 1 164 ? 39.023 -5.543 -18.947 1.00 31.16 ? 242 GLU B CA 1 ATOM 2746 C C . GLU B 1 164 ? 39.061 -5.784 -20.453 1.00 30.42 ? 242 GLU B C 1 ATOM 2747 O O . GLU B 1 164 ? 38.478 -6.757 -20.939 1.00 30.13 ? 242 GLU B O 1 ATOM 2748 C CB . GLU B 1 164 ? 37.574 -5.678 -18.471 1.00 31.08 ? 242 GLU B CB 1 ATOM 2749 C CG . GLU B 1 164 ? 37.419 -6.044 -17.005 1.00 33.74 ? 242 GLU B CG 1 ATOM 2750 C CD . GLU B 1 164 ? 36.027 -5.723 -16.452 1.00 34.84 ? 242 GLU B CD 1 ATOM 2751 O OE1 . GLU B 1 164 ? 35.136 -5.268 -17.220 1.00 39.52 ? 242 GLU B OE1 1 ATOM 2752 O OE2 . GLU B 1 164 ? 35.832 -5.907 -15.225 1.00 40.61 ? 242 GLU B OE2 1 ATOM 2753 N N . ASN B 1 165 ? 39.739 -4.898 -21.184 1.00 30.23 ? 243 ASN B N 1 ATOM 2754 C CA . ASN B 1 165 ? 39.825 -4.977 -22.646 1.00 30.16 ? 243 ASN B CA 1 ATOM 2755 C C . ASN B 1 165 ? 38.449 -5.074 -23.319 1.00 29.60 ? 243 ASN B C 1 ATOM 2756 O O . ASN B 1 165 ? 38.228 -5.929 -24.171 1.00 29.27 ? 243 ASN B O 1 ATOM 2757 C CB . ASN B 1 165 ? 40.719 -6.147 -23.091 1.00 30.65 ? 243 ASN B CB 1 ATOM 2758 C CG . ASN B 1 165 ? 42.141 -6.038 -22.566 1.00 32.17 ? 243 ASN B CG 1 ATOM 2759 O OD1 . ASN B 1 165 ? 42.744 -4.963 -22.573 1.00 35.24 ? 243 ASN B OD1 1 ATOM 2760 N ND2 . ASN B 1 165 ? 42.685 -7.156 -22.107 1.00 34.12 ? 243 ASN B ND2 1 ATOM 2761 N N . ASN B 1 166 ? 37.527 -4.206 -22.911 1.00 29.06 ? 244 ASN B N 1 ATOM 2762 C CA . ASN B 1 166 ? 36.206 -4.109 -23.537 1.00 28.73 ? 244 ASN B CA 1 ATOM 2763 C C . ASN B 1 166 ? 36.365 -3.806 -25.036 1.00 28.22 ? 244 ASN B C 1 ATOM 2764 O O . ASN B 1 166 ? 37.137 -2.916 -25.399 1.00 28.13 ? 244 ASN B O 1 ATOM 2765 C CB . ASN B 1 166 ? 35.378 -3.033 -22.813 1.00 28.86 ? 244 ASN B CB 1 ATOM 2766 C CG . ASN B 1 166 ? 33.941 -2.936 -23.317 1.00 29.59 ? 244 ASN B CG 1 ATOM 2767 O OD1 . ASN B 1 166 ? 32.978 -3.221 -22.586 1.00 30.15 ? 244 ASN B OD1 1 ATOM 2768 N ND2 . ASN B 1 166 ? 33.788 -2.508 -24.553 1.00 28.68 ? 244 ASN B ND2 1 ATOM 2769 N N . PRO B 1 167 ? 35.652 -4.554 -25.909 1.00 27.95 ? 245 PRO B N 1 ATOM 2770 C CA . PRO B 1 167 ? 35.830 -4.418 -27.364 1.00 27.84 ? 245 PRO B CA 1 ATOM 2771 C C . PRO B 1 167 ? 35.433 -3.049 -27.948 1.00 27.73 ? 245 PRO B C 1 ATOM 2772 O O . PRO B 1 167 ? 35.822 -2.727 -29.076 1.00 27.76 ? 245 PRO B O 1 ATOM 2773 C CB . PRO B 1 167 ? 34.936 -5.534 -27.936 1.00 28.24 ? 245 PRO B CB 1 ATOM 2774 C CG . PRO B 1 167 ? 33.924 -5.793 -26.875 1.00 28.14 ? 245 PRO B CG 1 ATOM 2775 C CD . PRO B 1 167 ? 34.631 -5.569 -25.577 1.00 27.88 ? 245 PRO B CD 1 ATOM 2776 N N . ASN B 1 168 ? 34.676 -2.267 -27.182 1.00 27.28 ? 246 ASN B N 1 ATOM 2777 C CA . ASN B 1 168 ? 34.210 -0.928 -27.586 1.00 27.01 ? 246 ASN B CA 1 ATOM 2778 C C . ASN B 1 168 ? 35.102 0.208 -27.088 1.00 26.60 ? 246 ASN B C 1 ATOM 2779 O O . ASN B 1 168 ? 34.760 1.385 -27.227 1.00 26.26 ? 246 ASN B O 1 ATOM 2780 C CB . ASN B 1 168 ? 32.775 -0.715 -27.101 1.00 27.07 ? 246 ASN B CB 1 ATOM 2781 C CG . ASN B 1 168 ? 31.832 -1.769 -27.638 1.00 27.14 ? 246 ASN B CG 1 ATOM 2782 O OD1 . ASN B 1 168 ? 31.686 -1.916 -28.841 1.00 28.07 ? 246 ASN B OD1 1 ATOM 2783 N ND2 . ASN B 1 168 ? 31.226 -2.530 -26.747 1.00 28.83 ? 246 ASN B ND2 1 ATOM 2784 N N . ILE B 1 169 ? 36.248 -0.165 -26.528 1.00 26.40 ? 247 ILE B N 1 ATOM 2785 C CA . ILE B 1 169 ? 37.243 0.784 -26.033 1.00 26.74 ? 247 ILE B CA 1 ATOM 2786 C C . ILE B 1 169 ? 38.488 0.755 -26.911 1.00 26.76 ? 247 ILE B C 1 ATOM 2787 O O . ILE B 1 169 ? 39.008 -0.315 -27.219 1.00 26.62 ? 247 ILE B O 1 ATOM 2788 C CB . ILE B 1 169 ? 37.608 0.491 -24.548 1.00 26.38 ? 247 ILE B CB 1 ATOM 2789 C CG1 . ILE B 1 169 ? 36.373 0.735 -23.667 1.00 27.34 ? 247 ILE B CG1 1 ATOM 2790 C CG2 . ILE B 1 169 ? 38.881 1.262 -24.105 1.00 27.01 ? 247 ILE B CG2 1 ATOM 2791 C CD1 . ILE B 1 169 ? 36.609 1.443 -22.361 1.00 31.20 ? 247 ILE B CD1 1 ATOM 2792 N N . LYS B 1 170 ? 38.934 1.937 -27.326 1.00 27.04 ? 248 LYS B N 1 ATOM 2793 C CA . LYS B 1 170 ? 40.219 2.110 -27.991 1.00 27.96 ? 248 LYS B CA 1 ATOM 2794 C C . LYS B 1 170 ? 41.067 3.031 -27.121 1.00 27.95 ? 248 LYS B C 1 ATOM 2795 O O . LYS B 1 170 ? 40.579 4.066 -26.640 1.00 27.98 ? 248 LYS B O 1 ATOM 2796 C CB . LYS B 1 170 ? 40.054 2.733 -29.383 1.00 28.33 ? 248 LYS B CB 1 ATOM 2797 C CG . LYS B 1 170 ? 39.141 1.979 -30.377 1.00 30.99 ? 248 LYS B CG 1 ATOM 2798 C CD . LYS B 1 170 ? 39.661 0.586 -30.753 1.00 35.26 ? 248 LYS B CD 1 ATOM 2799 C CE . LYS B 1 170 ? 38.703 -0.527 -30.305 1.00 37.70 ? 248 LYS B CE 1 ATOM 2800 N NZ . LYS B 1 170 ? 39.298 -1.890 -30.487 1.00 39.37 ? 248 LYS B NZ 1 ATOM 2801 N N . ILE B 1 171 ? 42.322 2.645 -26.915 1.00 28.01 ? 249 ILE B N 1 ATOM 2802 C CA . ILE B 1 171 ? 43.278 3.452 -26.148 1.00 28.45 ? 249 ILE B CA 1 ATOM 2803 C C . ILE B 1 171 ? 44.447 3.881 -27.043 1.00 28.81 ? 249 ILE B C 1 ATOM 2804 O O . ILE B 1 171 ? 44.987 3.076 -27.802 1.00 28.42 ? 249 ILE B O 1 ATOM 2805 C CB . ILE B 1 171 ? 43.811 2.691 -24.901 1.00 28.46 ? 249 ILE B CB 1 ATOM 2806 C CG1 . ILE B 1 171 ? 42.650 2.215 -24.016 1.00 28.46 ? 249 ILE B CG1 1 ATOM 2807 C CG2 . ILE B 1 171 ? 44.787 3.575 -24.100 1.00 28.33 ? 249 ILE B CG2 1 ATOM 2808 C CD1 . ILE B 1 171 ? 43.087 1.419 -22.787 1.00 29.13 ? 249 ILE B CD1 1 ATOM 2809 N N . ASN B 1 172 ? 44.833 5.148 -26.932 1.00 29.41 ? 250 ASN B N 1 ATOM 2810 C CA . ASN B 1 172 ? 45.836 5.755 -27.810 1.00 30.41 ? 250 ASN B CA 1 ATOM 2811 C C . ASN B 1 172 ? 46.723 6.717 -27.006 1.00 29.66 ? 250 ASN B C 1 ATOM 2812 O O . ASN B 1 172 ? 46.243 7.365 -26.076 1.00 29.24 ? 250 ASN B O 1 ATOM 2813 C CB . ASN B 1 172 ? 45.096 6.517 -28.917 1.00 31.16 ? 250 ASN B CB 1 ATOM 2814 C CG . ASN B 1 172 ? 45.940 6.765 -30.143 1.00 34.58 ? 250 ASN B CG 1 ATOM 2815 O OD1 . ASN B 1 172 ? 47.011 6.165 -30.331 1.00 38.68 ? 250 ASN B OD1 1 ATOM 2816 N ND2 . ASN B 1 172 ? 45.456 7.660 -31.009 1.00 37.38 ? 250 ASN B ND2 1 ATOM 2817 N N . GLY B 1 173 ? 48.007 6.793 -27.347 1.00 29.22 ? 251 GLY B N 1 ATOM 2818 C CA . GLY B 1 173 ? 48.918 7.756 -26.717 1.00 28.90 ? 251 GLY B CA 1 ATOM 2819 C C . GLY B 1 173 ? 49.513 7.306 -25.391 1.00 29.08 ? 251 GLY B C 1 ATOM 2820 O O . GLY B 1 173 ? 49.589 6.102 -25.114 1.00 28.61 ? 251 GLY B O 1 ATOM 2821 N N . SER B 1 174 ? 49.947 8.279 -24.582 1.00 29.04 ? 252 SER B N 1 ATOM 2822 C CA A SER B 1 174 ? 50.602 8.004 -23.301 0.12 29.23 ? 252 SER B CA 1 ATOM 2823 C CA B SER B 1 174 ? 50.605 7.999 -23.300 0.88 29.46 ? 252 SER B CA 1 ATOM 2824 C C . SER B 1 174 ? 49.586 7.774 -22.182 1.00 29.37 ? 252 SER B C 1 ATOM 2825 O O . SER B 1 174 ? 49.297 8.677 -21.386 1.00 29.56 ? 252 SER B O 1 ATOM 2826 C CB A SER B 1 174 ? 51.566 9.136 -22.933 0.12 29.23 ? 252 SER B CB 1 ATOM 2827 C CB B SER B 1 174 ? 51.575 9.128 -22.923 0.88 29.67 ? 252 SER B CB 1 ATOM 2828 O OG A SER B 1 174 ? 52.644 9.208 -23.849 0.12 29.12 ? 252 SER B OG 1 ATOM 2829 O OG B SER B 1 174 ? 52.330 8.786 -21.770 0.88 30.90 ? 252 SER B OG 1 ATOM 2830 N N . VAL B 1 175 ? 49.041 6.561 -22.148 1.00 29.28 ? 253 VAL B N 1 ATOM 2831 C CA . VAL B 1 175 ? 48.045 6.137 -21.169 1.00 28.99 ? 253 VAL B CA 1 ATOM 2832 C C . VAL B 1 175 ? 48.522 4.792 -20.639 1.00 28.68 ? 253 VAL B C 1 ATOM 2833 O O . VAL B 1 175 ? 48.806 3.886 -21.429 1.00 28.59 ? 253 VAL B O 1 ATOM 2834 C CB . VAL B 1 175 ? 46.650 5.907 -21.812 1.00 29.51 ? 253 VAL B CB 1 ATOM 2835 C CG1 . VAL B 1 175 ? 45.595 5.663 -20.731 1.00 29.74 ? 253 VAL B CG1 1 ATOM 2836 C CG2 . VAL B 1 175 ? 46.239 7.071 -22.686 1.00 30.27 ? 253 VAL B CG2 1 ATOM 2837 N N . ARG B 1 176 ? 48.614 4.666 -19.316 1.00 28.11 ? 254 ARG B N 1 ATOM 2838 C CA . ARG B 1 176 ? 49.087 3.435 -18.681 1.00 28.05 ? 254 ARG B CA 1 ATOM 2839 C C . ARG B 1 176 ? 48.166 3.008 -17.536 1.00 27.26 ? 254 ARG B C 1 ATOM 2840 O O . ARG B 1 176 ? 47.866 3.811 -16.641 1.00 26.74 ? 254 ARG B O 1 ATOM 2841 C CB . ARG B 1 176 ? 50.513 3.626 -18.147 1.00 28.42 ? 254 ARG B CB 1 ATOM 2842 C CG . ARG B 1 176 ? 51.122 2.366 -17.538 1.00 31.49 ? 254 ARG B CG 1 ATOM 2843 C CD . ARG B 1 176 ? 52.298 2.661 -16.606 1.00 36.28 ? 254 ARG B CD 1 ATOM 2844 N NE . ARG B 1 176 ? 53.478 3.118 -17.337 1.00 40.77 ? 254 ARG B NE 1 ATOM 2845 C CZ . ARG B 1 176 ? 54.309 2.318 -18.001 1.00 43.49 ? 254 ARG B CZ 1 ATOM 2846 N NH1 . ARG B 1 176 ? 54.108 1.003 -18.026 1.00 44.84 ? 254 ARG B NH1 1 ATOM 2847 N NH2 . ARG B 1 176 ? 55.352 2.835 -18.643 1.00 45.22 ? 254 ARG B NH2 1 ATOM 2848 N N . LEU B 1 177 ? 47.719 1.753 -17.576 1.00 26.68 ? 255 LEU B N 1 ATOM 2849 C CA . LEU B 1 177 ? 47.033 1.135 -16.440 1.00 26.75 ? 255 LEU B CA 1 ATOM 2850 C C . LEU B 1 177 ? 48.035 0.938 -15.304 1.00 27.01 ? 255 LEU B C 1 ATOM 2851 O O . LEU B 1 177 ? 49.140 0.448 -15.524 1.00 26.14 ? 255 LEU B O 1 ATOM 2852 C CB . LEU B 1 177 ? 46.424 -0.215 -16.838 1.00 26.52 ? 255 LEU B CB 1 ATOM 2853 C CG . LEU B 1 177 ? 45.671 -1.018 -15.764 1.00 27.08 ? 255 LEU B CG 1 ATOM 2854 C CD1 . LEU B 1 177 ? 44.434 -0.264 -15.246 1.00 24.45 ? 255 LEU B CD1 1 ATOM 2855 C CD2 . LEU B 1 177 ? 45.288 -2.410 -16.290 1.00 26.30 ? 255 LEU B CD2 1 ATOM 2856 N N . VAL B 1 178 ? 47.651 1.330 -14.095 1.00 27.57 ? 256 VAL B N 1 ATOM 2857 C CA . VAL B 1 178 ? 48.502 1.110 -12.919 1.00 28.51 ? 256 VAL B CA 1 ATOM 2858 C C . VAL B 1 178 ? 47.744 0.426 -11.781 1.00 29.29 ? 256 VAL B C 1 ATOM 2859 O O . VAL B 1 178 ? 48.329 -0.285 -10.964 1.00 29.32 ? 256 VAL B O 1 ATOM 2860 C CB . VAL B 1 178 ? 49.180 2.423 -12.419 1.00 28.54 ? 256 VAL B CB 1 ATOM 2861 C CG1 . VAL B 1 178 ? 50.206 2.924 -13.443 1.00 28.11 ? 256 VAL B CG1 1 ATOM 2862 C CG2 . VAL B 1 178 ? 48.150 3.501 -12.097 1.00 28.28 ? 256 VAL B CG2 1 ATOM 2863 O OXT . VAL B 1 178 ? 46.521 0.562 -11.658 1.00 30.61 ? 256 VAL B OXT 1 ATOM 2864 N N . GLY C 1 1 ? 34.679 1.085 -1.406 1.00 30.88 ? 79 GLY C N 1 ATOM 2865 C CA . GLY C 1 1 ? 33.985 2.113 -0.557 1.00 30.89 ? 79 GLY C CA 1 ATOM 2866 C C . GLY C 1 1 ? 33.939 1.747 0.923 1.00 30.94 ? 79 GLY C C 1 ATOM 2867 O O . GLY C 1 1 ? 34.718 0.890 1.378 1.00 31.35 ? 79 GLY C O 1 ATOM 2868 N N . PRO C 1 2 ? 33.042 2.408 1.689 1.00 30.38 ? 80 PRO C N 1 ATOM 2869 C CA . PRO C 1 2 ? 32.740 2.003 3.064 1.00 30.19 ? 80 PRO C CA 1 ATOM 2870 C C . PRO C 1 2 ? 32.361 0.520 3.145 1.00 30.15 ? 80 PRO C C 1 ATOM 2871 O O . PRO C 1 2 ? 32.711 -0.143 4.103 1.00 30.42 ? 80 PRO C O 1 ATOM 2872 C CB . PRO C 1 2 ? 31.532 2.868 3.427 1.00 29.42 ? 80 PRO C CB 1 ATOM 2873 C CG . PRO C 1 2 ? 31.663 4.072 2.567 1.00 30.05 ? 80 PRO C CG 1 ATOM 2874 C CD . PRO C 1 2 ? 32.263 3.595 1.283 1.00 30.12 ? 80 PRO C CD 1 ATOM 2875 N N . GLY C 1 3 ? 31.663 0.014 2.135 1.00 30.46 ? 81 GLY C N 1 ATOM 2876 C CA . GLY C 1 3 ? 31.311 -1.403 2.056 1.00 30.86 ? 81 GLY C CA 1 ATOM 2877 C C . GLY C 1 3 ? 32.462 -2.391 1.884 1.00 31.25 ? 81 GLY C C 1 ATOM 2878 O O . GLY C 1 3 ? 32.314 -3.569 2.240 1.00 31.76 ? 81 GLY C O 1 ATOM 2879 N N . SER C 1 4 ? 33.592 -1.941 1.331 1.00 31.17 ? 82 SER C N 1 ATOM 2880 C CA . SER C 1 4 ? 34.772 -2.808 1.169 1.00 31.32 ? 82 SER C CA 1 ATOM 2881 C C . SER C 1 4 ? 35.062 -3.569 2.461 1.00 30.15 ? 82 SER C C 1 ATOM 2882 O O . SER C 1 4 ? 35.203 -2.956 3.516 1.00 29.39 ? 82 SER C O 1 ATOM 2883 C CB . SER C 1 4 ? 36.022 -2.004 0.800 1.00 31.85 ? 82 SER C CB 1 ATOM 2884 O OG . SER C 1 4 ? 35.967 -1.519 -0.525 1.00 35.68 ? 82 SER C OG 1 ATOM 2885 N N . ALA C 1 5 ? 35.148 -4.896 2.369 1.00 29.32 ? 83 ALA C N 1 ATOM 2886 C CA . ALA C 1 5 ? 35.494 -5.727 3.528 1.00 28.66 ? 83 ALA C CA 1 ATOM 2887 C C . ALA C 1 5 ? 36.862 -5.369 4.100 1.00 28.11 ? 83 ALA C C 1 ATOM 2888 O O . ALA C 1 5 ? 37.865 -5.305 3.377 1.00 28.39 ? 83 ALA C O 1 ATOM 2889 C CB . ALA C 1 5 ? 35.447 -7.207 3.179 1.00 28.40 ? 83 ALA C CB 1 ATOM 2890 N N . THR C 1 6 ? 36.886 -5.160 5.409 1.00 27.35 ? 84 THR C N 1 ATOM 2891 C CA . THR C 1 6 ? 38.057 -4.648 6.107 1.00 27.12 ? 84 THR C CA 1 ATOM 2892 C C . THR C 1 6 ? 38.397 -5.574 7.276 1.00 26.80 ? 84 THR C C 1 ATOM 2893 O O . THR C 1 6 ? 37.509 -5.977 8.024 1.00 26.62 ? 84 THR C O 1 ATOM 2894 C CB . THR C 1 6 ? 37.802 -3.193 6.584 1.00 27.36 ? 84 THR C CB 1 ATOM 2895 O OG1 . THR C 1 6 ? 37.493 -2.367 5.447 1.00 27.38 ? 84 THR C OG1 1 ATOM 2896 C CG2 . THR C 1 6 ? 39.008 -2.627 7.266 1.00 27.84 ? 84 THR C CG2 1 ATOM 2897 N N . TYR C 1 7 ? 39.677 -5.935 7.406 1.00 26.24 ? 85 TYR C N 1 ATOM 2898 C CA . TYR C 1 7 ? 40.125 -6.833 8.471 1.00 26.13 ? 85 TYR C CA 1 ATOM 2899 C C . TYR C 1 7 ? 41.261 -6.221 9.282 1.00 26.24 ? 85 TYR C C 1 ATOM 2900 O O . TYR C 1 7 ? 42.154 -5.583 8.725 1.00 26.70 ? 85 TYR C O 1 ATOM 2901 C CB . TYR C 1 7 ? 40.571 -8.183 7.891 1.00 25.90 ? 85 TYR C CB 1 ATOM 2902 C CG . TYR C 1 7 ? 39.422 -9.112 7.598 1.00 24.91 ? 85 TYR C CG 1 ATOM 2903 C CD1 . TYR C 1 7 ? 38.769 -9.072 6.363 1.00 24.68 ? 85 TYR C CD1 1 ATOM 2904 C CD2 . TYR C 1 7 ? 38.975 -10.021 8.556 1.00 22.99 ? 85 TYR C CD2 1 ATOM 2905 C CE1 . TYR C 1 7 ? 37.696 -9.925 6.082 1.00 24.19 ? 85 TYR C CE1 1 ATOM 2906 C CE2 . TYR C 1 7 ? 37.900 -10.883 8.290 1.00 25.01 ? 85 TYR C CE2 1 ATOM 2907 C CZ . TYR C 1 7 ? 37.274 -10.832 7.042 1.00 25.02 ? 85 TYR C CZ 1 ATOM 2908 O OH . TYR C 1 7 ? 36.203 -11.662 6.765 1.00 24.67 ? 85 TYR C OH 1 ATOM 2909 N N . ILE C 1 8 ? 41.215 -6.428 10.592 1.00 26.48 ? 86 ILE C N 1 ATOM 2910 C CA . ILE C 1 8 ? 42.259 -5.961 11.507 1.00 26.79 ? 86 ILE C CA 1 ATOM 2911 C C . ILE C 1 8 ? 43.090 -7.161 11.930 1.00 26.66 ? 86 ILE C C 1 ATOM 2912 O O . ILE C 1 8 ? 42.547 -8.159 12.383 1.00 26.64 ? 86 ILE C O 1 ATOM 2913 C CB . ILE C 1 8 ? 41.673 -5.276 12.774 1.00 26.93 ? 86 ILE C CB 1 ATOM 2914 C CG1 . ILE C 1 8 ? 40.752 -4.108 12.403 1.00 27.08 ? 86 ILE C CG1 1 ATOM 2915 C CG2 . ILE C 1 8 ? 42.783 -4.829 13.732 1.00 26.74 ? 86 ILE C CG2 1 ATOM 2916 C CD1 . ILE C 1 8 ? 41.373 -3.080 11.456 1.00 27.86 ? 86 ILE C CD1 1 ATOM 2917 N N . PHE C 1 9 ? 44.402 -7.053 11.761 1.00 26.73 ? 87 PHE C N 1 ATOM 2918 C CA . PHE C 1 9 ? 45.340 -8.084 12.175 1.00 26.95 ? 87 PHE C CA 1 ATOM 2919 C C . PHE C 1 9 ? 46.031 -7.600 13.448 1.00 27.32 ? 87 PHE C C 1 ATOM 2920 O O . PHE C 1 9 ? 46.613 -6.502 13.484 1.00 26.96 ? 87 PHE C O 1 ATOM 2921 C CB . PHE C 1 9 ? 46.347 -8.369 11.051 1.00 27.01 ? 87 PHE C CB 1 ATOM 2922 C CG . PHE C 1 9 ? 45.733 -9.033 9.840 1.00 27.24 ? 87 PHE C CG 1 ATOM 2923 C CD1 . PHE C 1 9 ? 44.958 -8.297 8.938 1.00 27.40 ? 87 PHE C CD1 1 ATOM 2924 C CD2 . PHE C 1 9 ? 45.922 -10.391 9.607 1.00 26.40 ? 87 PHE C CD2 1 ATOM 2925 C CE1 . PHE C 1 9 ? 44.378 -8.905 7.822 1.00 27.47 ? 87 PHE C CE1 1 ATOM 2926 C CE2 . PHE C 1 9 ? 45.350 -11.014 8.487 1.00 28.15 ? 87 PHE C CE2 1 ATOM 2927 C CZ . PHE C 1 9 ? 44.572 -10.272 7.595 1.00 26.84 ? 87 PHE C CZ 1 ATOM 2928 N N . GLY C 1 10 ? 45.933 -8.409 14.494 1.00 27.62 ? 88 GLY C N 1 ATOM 2929 C CA . GLY C 1 10 ? 46.415 -8.030 15.821 1.00 28.58 ? 88 GLY C CA 1 ATOM 2930 C C . GLY C 1 10 ? 47.874 -8.383 16.036 1.00 29.23 ? 88 GLY C C 1 ATOM 2931 O O . GLY C 1 10 ? 48.502 -9.024 15.189 1.00 29.18 ? 88 GLY C O 1 ATOM 2932 N N . LYS C 1 11 ? 48.398 -7.964 17.186 1.00 29.94 ? 89 LYS C N 1 ATOM 2933 C CA . LYS C 1 11 ? 49.793 -8.183 17.582 1.00 30.56 ? 89 LYS C CA 1 ATOM 2934 C C . LYS C 1 11 ? 50.282 -9.620 17.367 1.00 30.28 ? 89 LYS C C 1 ATOM 2935 O O . LYS C 1 11 ? 51.375 -9.829 16.844 1.00 30.42 ? 89 LYS C O 1 ATOM 2936 C CB . LYS C 1 11 ? 49.974 -7.782 19.049 1.00 30.93 ? 89 LYS C CB 1 ATOM 2937 C CG . LYS C 1 11 ? 51.355 -7.266 19.388 1.00 33.16 ? 89 LYS C CG 1 ATOM 2938 C CD . LYS C 1 11 ? 51.502 -7.036 20.885 1.00 35.68 ? 89 LYS C CD 1 ATOM 2939 C CE . LYS C 1 11 ? 52.944 -6.710 21.260 1.00 38.32 ? 89 LYS C CE 1 ATOM 2940 N NZ . LYS C 1 11 ? 53.904 -7.784 20.838 1.00 39.88 ? 89 LYS C NZ 1 ATOM 2941 N N . SER C 1 12 ? 49.464 -10.594 17.769 1.00 30.03 ? 90 SER C N 1 ATOM 2942 C CA . SER C 1 12 ? 49.768 -12.022 17.606 1.00 29.81 ? 90 SER C CA 1 ATOM 2943 C C . SER C 1 12 ? 49.786 -12.494 16.152 1.00 29.64 ? 90 SER C C 1 ATOM 2944 O O . SER C 1 12 ? 50.292 -13.575 15.854 1.00 29.56 ? 90 SER C O 1 ATOM 2945 C CB . SER C 1 12 ? 48.769 -12.875 18.391 1.00 29.57 ? 90 SER C CB 1 ATOM 2946 O OG . SER C 1 12 ? 48.906 -12.662 19.783 1.00 30.88 ? 90 SER C OG 1 ATOM 2947 N N . GLY C 1 13 ? 49.211 -11.700 15.256 1.00 29.62 ? 91 GLY C N 1 ATOM 2948 C CA . GLY C 1 13 ? 49.162 -12.055 13.845 1.00 29.55 ? 91 GLY C CA 1 ATOM 2949 C C . GLY C 1 13 ? 48.067 -13.056 13.525 1.00 29.55 ? 91 GLY C C 1 ATOM 2950 O O . GLY C 1 13 ? 47.544 -13.747 14.410 1.00 29.46 ? 91 GLY C O 1 ATOM 2951 N N . GLY C 1 14 ? 47.720 -13.127 12.248 1.00 29.42 ? 92 GLY C N 1 ATOM 2952 C CA . GLY C 1 14 ? 46.710 -14.052 11.776 1.00 28.91 ? 92 GLY C CA 1 ATOM 2953 C C . GLY C 1 14 ? 46.839 -14.294 10.289 1.00 28.94 ? 92 GLY C C 1 ATOM 2954 O O . GLY C 1 14 ? 47.716 -13.737 9.630 1.00 28.59 ? 92 GLY C O 1 ATOM 2955 N N . LEU C 1 15 ? 45.963 -15.139 9.763 1.00 28.75 ? 93 LEU C N 1 ATOM 2956 C CA . LEU C 1 15 ? 45.999 -15.473 8.354 1.00 28.59 ? 93 LEU C CA 1 ATOM 2957 C C . LEU C 1 15 ? 44.597 -15.690 7.806 1.00 28.32 ? 93 LEU C C 1 ATOM 2958 O O . LEU C 1 15 ? 43.756 -16.353 8.431 1.00 28.29 ? 93 LEU C O 1 ATOM 2959 C CB . LEU C 1 15 ? 46.851 -16.732 8.125 1.00 28.77 ? 93 LEU C CB 1 ATOM 2960 C CG . LEU C 1 15 ? 47.216 -17.091 6.679 1.00 28.85 ? 93 LEU C CG 1 ATOM 2961 C CD1 . LEU C 1 15 ? 48.401 -16.277 6.225 1.00 31.06 ? 93 LEU C CD1 1 ATOM 2962 C CD2 . LEU C 1 15 ? 47.508 -18.581 6.561 1.00 29.45 ? 93 LEU C CD2 1 ATOM 2963 N N . ILE C 1 16 ? 44.358 -15.102 6.641 1.00 27.51 ? 94 ILE C N 1 ATOM 2964 C CA . ILE C 1 16 ? 43.202 -15.421 5.826 1.00 26.86 ? 94 ILE C CA 1 ATOM 2965 C C . ILE C 1 16 ? 43.764 -16.114 4.597 1.00 27.30 ? 94 ILE C C 1 ATOM 2966 O O . ILE C 1 16 ? 44.601 -15.562 3.884 1.00 27.25 ? 94 ILE C O 1 ATOM 2967 C CB . ILE C 1 16 ? 42.437 -14.146 5.380 1.00 26.68 ? 94 ILE C CB 1 ATOM 2968 C CG1 . ILE C 1 16 ? 41.972 -13.335 6.597 1.00 26.22 ? 94 ILE C CG1 1 ATOM 2969 C CG2 . ILE C 1 16 ? 41.282 -14.512 4.432 1.00 24.20 ? 94 ILE C CG2 1 ATOM 2970 C CD1 . ILE C 1 16 ? 41.484 -11.899 6.256 1.00 26.28 ? 94 ILE C CD1 1 ATOM 2971 N N . LEU C 1 17 ? 43.297 -17.328 4.359 1.00 27.62 ? 95 LEU C N 1 ATOM 2972 C CA . LEU C 1 17 ? 43.792 -18.145 3.267 1.00 27.94 ? 95 LEU C CA 1 ATOM 2973 C C . LEU C 1 17 ? 42.676 -18.481 2.291 1.00 27.91 ? 95 LEU C C 1 ATOM 2974 O O . LEU C 1 17 ? 41.660 -19.075 2.682 1.00 28.21 ? 95 LEU C O 1 ATOM 2975 C CB . LEU C 1 17 ? 44.410 -19.433 3.827 1.00 27.77 ? 95 LEU C CB 1 ATOM 2976 C CG . LEU C 1 17 ? 45.215 -20.331 2.890 1.00 28.65 ? 95 LEU C CG 1 ATOM 2977 C CD1 . LEU C 1 17 ? 46.498 -19.651 2.470 1.00 29.13 ? 95 LEU C CD1 1 ATOM 2978 C CD2 . LEU C 1 17 ? 45.503 -21.667 3.565 1.00 28.13 ? 95 LEU C CD2 1 ATOM 2979 N N . TYR C 1 18 ? 42.862 -18.095 1.029 1.00 27.12 ? 96 TYR C N 1 ATOM 2980 C CA . TYR C 1 18 ? 41.995 -18.554 -0.055 1.00 27.12 ? 96 TYR C CA 1 ATOM 2981 C C . TYR C 1 18 ? 42.706 -19.641 -0.858 1.00 26.71 ? 96 TYR C C 1 ATOM 2982 O O . TYR C 1 18 ? 43.833 -19.456 -1.290 1.00 26.48 ? 96 TYR C O 1 ATOM 2983 C CB . TYR C 1 18 ? 41.623 -17.393 -0.987 1.00 27.13 ? 96 TYR C CB 1 ATOM 2984 C CG . TYR C 1 18 ? 40.798 -17.823 -2.186 1.00 28.11 ? 96 TYR C CG 1 ATOM 2985 C CD1 . TYR C 1 18 ? 39.438 -18.107 -2.053 1.00 27.76 ? 96 TYR C CD1 1 ATOM 2986 C CD2 . TYR C 1 18 ? 41.381 -17.948 -3.453 1.00 27.39 ? 96 TYR C CD2 1 ATOM 2987 C CE1 . TYR C 1 18 ? 38.683 -18.513 -3.143 1.00 28.87 ? 96 TYR C CE1 1 ATOM 2988 C CE2 . TYR C 1 18 ? 40.631 -18.345 -4.550 1.00 27.72 ? 96 TYR C CE2 1 ATOM 2989 C CZ . TYR C 1 18 ? 39.287 -18.623 -4.388 1.00 28.42 ? 96 TYR C CZ 1 ATOM 2990 O OH . TYR C 1 18 ? 38.536 -19.027 -5.471 1.00 29.64 ? 96 TYR C OH 1 ATOM 2991 N N . THR C 1 19 ? 42.040 -20.767 -1.056 1.00 26.61 ? 97 THR C N 1 ATOM 2992 C CA . THR C 1 19 ? 42.602 -21.856 -1.840 1.00 26.83 ? 97 THR C CA 1 ATOM 2993 C C . THR C 1 19 ? 41.665 -22.067 -3.024 1.00 26.86 ? 97 THR C C 1 ATOM 2994 O O . THR C 1 19 ? 40.474 -22.314 -2.839 1.00 26.56 ? 97 THR C O 1 ATOM 2995 C CB . THR C 1 19 ? 42.739 -23.136 -0.987 1.00 26.96 ? 97 THR C CB 1 ATOM 2996 O OG1 . THR C 1 19 ? 43.517 -22.841 0.180 1.00 27.48 ? 97 THR C OG1 1 ATOM 2997 C CG2 . THR C 1 19 ? 43.418 -24.250 -1.765 1.00 26.96 ? 97 THR C CG2 1 ATOM 2998 N N . TRP C 1 20 ? 42.187 -21.925 -4.238 1.00 26.61 ? 98 TRP C N 1 ATOM 2999 C CA . TRP C 1 20 ? 41.363 -22.154 -5.423 1.00 26.76 ? 98 TRP C CA 1 ATOM 3000 C C . TRP C 1 20 ? 40.897 -23.599 -5.444 1.00 27.08 ? 98 TRP C C 1 ATOM 3001 O O . TRP C 1 20 ? 41.659 -24.492 -5.074 1.00 26.51 ? 98 TRP C O 1 ATOM 3002 C CB . TRP C 1 20 ? 42.145 -21.892 -6.709 1.00 26.27 ? 98 TRP C CB 1 ATOM 3003 C CG . TRP C 1 20 ? 42.179 -20.468 -7.183 1.00 25.29 ? 98 TRP C CG 1 ATOM 3004 C CD1 . TRP C 1 20 ? 41.267 -19.850 -7.996 1.00 24.88 ? 98 TRP C CD1 1 ATOM 3005 C CD2 . TRP C 1 20 ? 43.211 -19.505 -6.934 1.00 26.06 ? 98 TRP C CD2 1 ATOM 3006 N NE1 . TRP C 1 20 ? 41.658 -18.551 -8.245 1.00 25.30 ? 98 TRP C NE1 1 ATOM 3007 C CE2 . TRP C 1 20 ? 42.844 -18.313 -7.603 1.00 25.79 ? 98 TRP C CE2 1 ATOM 3008 C CE3 . TRP C 1 20 ? 44.408 -19.529 -6.203 1.00 26.15 ? 98 TRP C CE3 1 ATOM 3009 C CZ2 . TRP C 1 20 ? 43.632 -17.165 -7.568 1.00 26.10 ? 98 TRP C CZ2 1 ATOM 3010 C CZ3 . TRP C 1 20 ? 45.184 -18.387 -6.163 1.00 25.57 ? 98 TRP C CZ3 1 ATOM 3011 C CH2 . TRP C 1 20 ? 44.794 -17.219 -6.843 1.00 25.97 ? 98 TRP C CH2 1 ATOM 3012 N N . PRO C 1 21 ? 39.647 -23.842 -5.901 1.00 27.44 ? 99 PRO C N 1 ATOM 3013 C CA . PRO C 1 21 ? 39.298 -25.211 -6.263 1.00 27.66 ? 99 PRO C CA 1 ATOM 3014 C C . PRO C 1 21 ? 40.320 -25.724 -7.290 1.00 27.76 ? 99 PRO C C 1 ATOM 3015 O O . PRO C 1 21 ? 40.771 -24.957 -8.140 1.00 27.49 ? 99 PRO C O 1 ATOM 3016 C CB . PRO C 1 21 ? 37.903 -25.060 -6.879 1.00 27.52 ? 99 PRO C CB 1 ATOM 3017 C CG . PRO C 1 21 ? 37.343 -23.853 -6.222 1.00 27.72 ? 99 PRO C CG 1 ATOM 3018 C CD . PRO C 1 21 ? 38.520 -22.917 -6.108 1.00 27.73 ? 99 PRO C CD 1 ATOM 3019 N N . ALA C 1 22 ? 40.704 -26.993 -7.186 1.00 28.43 ? 100 ALA C N 1 ATOM 3020 C CA . ALA C 1 22 ? 41.827 -27.533 -7.973 1.00 29.29 ? 100 ALA C CA 1 ATOM 3021 C C . ALA C 1 22 ? 41.686 -27.317 -9.484 1.00 29.75 ? 100 ALA C C 1 ATOM 3022 O O . ALA C 1 22 ? 42.647 -26.920 -10.155 1.00 30.25 ? 100 ALA C O 1 ATOM 3023 C CB . ALA C 1 22 ? 42.052 -29.010 -7.648 1.00 29.11 ? 100 ALA C CB 1 ATOM 3024 N N . ASN C 1 23 ? 40.485 -27.557 -10.009 1.00 30.02 ? 101 ASN C N 1 ATOM 3025 C CA . ASN C 1 23 ? 40.206 -27.367 -11.434 1.00 30.41 ? 101 ASN C CA 1 ATOM 3026 C C . ASN C 1 23 ? 40.181 -25.907 -11.875 1.00 30.29 ? 101 ASN C C 1 ATOM 3027 O O . ASN C 1 23 ? 40.168 -25.628 -13.075 1.00 30.68 ? 101 ASN C O 1 ATOM 3028 C CB . ASN C 1 23 ? 38.887 -28.039 -11.819 1.00 30.81 ? 101 ASN C CB 1 ATOM 3029 C CG . ASN C 1 23 ? 38.964 -29.556 -11.779 1.00 32.61 ? 101 ASN C CG 1 ATOM 3030 O OD1 . ASN C 1 23 ? 38.024 -30.217 -11.338 1.00 36.61 ? 101 ASN C OD1 1 ATOM 3031 N ND2 . ASN C 1 23 ? 40.072 -30.119 -12.260 1.00 34.49 ? 101 ASN C ND2 1 ATOM 3032 N N . ASP C 1 24 ? 40.170 -24.993 -10.907 1.00 29.56 ? 102 ASP C N 1 ATOM 3033 C CA . ASP C 1 24 ? 40.072 -23.556 -11.168 1.00 29.67 ? 102 ASP C CA 1 ATOM 3034 C C . ASP C 1 24 ? 41.363 -22.779 -10.956 1.00 28.63 ? 102 ASP C C 1 ATOM 3035 O O . ASP C 1 24 ? 41.350 -21.551 -11.043 1.00 28.99 ? 102 ASP C O 1 ATOM 3036 C CB . ASP C 1 24 ? 38.973 -22.924 -10.304 1.00 30.12 ? 102 ASP C CB 1 ATOM 3037 C CG . ASP C 1 24 ? 37.586 -23.364 -10.720 1.00 31.37 ? 102 ASP C CG 1 ATOM 3038 O OD1 . ASP C 1 24 ? 37.443 -23.891 -11.844 1.00 34.10 ? 102 ASP C OD1 1 ATOM 3039 O OD2 . ASP C 1 24 ? 36.643 -23.195 -9.921 1.00 33.95 ? 102 ASP C OD2 1 ATOM 3040 N N . ARG C 1 25 ? 42.462 -23.480 -10.671 1.00 27.54 ? 103 ARG C N 1 ATOM 3041 C CA A ARG C 1 25 ? 43.752 -22.826 -10.451 0.61 26.65 ? 103 ARG C CA 1 ATOM 3042 C CA B ARG C 1 25 ? 43.754 -22.834 -10.455 0.39 27.09 ? 103 ARG C CA 1 ATOM 3043 C C . ARG C 1 25 ? 44.180 -22.095 -11.721 1.00 26.86 ? 103 ARG C C 1 ATOM 3044 O O . ARG C 1 25 ? 44.338 -22.715 -12.777 1.00 26.67 ? 103 ARG C O 1 ATOM 3045 C CB A ARG C 1 25 ? 44.819 -23.841 -10.023 0.61 26.59 ? 103 ARG C CB 1 ATOM 3046 C CB B ARG C 1 25 ? 44.810 -23.868 -10.061 0.39 26.90 ? 103 ARG C CB 1 ATOM 3047 C CG A ARG C 1 25 ? 44.558 -24.489 -8.667 0.61 25.35 ? 103 ARG C CG 1 ATOM 3048 C CG B ARG C 1 25 ? 44.659 -24.404 -8.648 0.39 26.17 ? 103 ARG C CG 1 ATOM 3049 C CD A ARG C 1 25 ? 45.540 -25.623 -8.392 0.61 25.10 ? 103 ARG C CD 1 ATOM 3050 C CD B ARG C 1 25 ? 45.417 -25.704 -8.494 0.39 25.23 ? 103 ARG C CD 1 ATOM 3051 N NE A ARG C 1 25 ? 45.431 -26.701 -9.377 0.61 21.56 ? 103 ARG C NE 1 ATOM 3052 N NE B ARG C 1 25 ? 46.006 -25.850 -7.168 0.39 24.94 ? 103 ARG C NE 1 ATOM 3053 C CZ A ARG C 1 25 ? 46.293 -27.707 -9.498 0.61 20.92 ? 103 ARG C CZ 1 ATOM 3054 C CZ B ARG C 1 25 ? 46.905 -26.779 -6.848 0.39 24.21 ? 103 ARG C CZ 1 ATOM 3055 N NH1 A ARG C 1 25 ? 47.347 -27.792 -8.697 0.61 19.67 ? 103 ARG C NH1 1 ATOM 3056 N NH1 B ARG C 1 25 ? 47.316 -27.651 -7.758 0.39 23.58 ? 103 ARG C NH1 1 ATOM 3057 N NH2 A ARG C 1 25 ? 46.106 -28.631 -10.429 0.61 20.07 ? 103 ARG C NH2 1 ATOM 3058 N NH2 B ARG C 1 25 ? 47.396 -26.835 -5.619 0.39 23.21 ? 103 ARG C NH2 1 ATOM 3059 N N . PRO C 1 26 ? 44.354 -20.763 -11.630 1.00 26.77 ? 104 PRO C N 1 ATOM 3060 C CA . PRO C 1 26 ? 44.666 -20.021 -12.848 1.00 26.67 ? 104 PRO C CA 1 ATOM 3061 C C . PRO C 1 26 ? 46.143 -19.940 -13.221 1.00 26.67 ? 104 PRO C C 1 ATOM 3062 O O . PRO C 1 26 ? 47.022 -20.009 -12.360 1.00 26.45 ? 104 PRO C O 1 ATOM 3063 C CB . PRO C 1 26 ? 44.132 -18.623 -12.533 1.00 26.88 ? 104 PRO C CB 1 ATOM 3064 C CG . PRO C 1 26 ? 44.279 -18.487 -11.056 1.00 26.42 ? 104 PRO C CG 1 ATOM 3065 C CD . PRO C 1 26 ? 44.242 -19.868 -10.460 1.00 26.74 ? 104 PRO C CD 1 ATOM 3066 N N . SER C 1 27 ? 46.384 -19.775 -14.517 1.00 26.80 ? 105 SER C N 1 ATOM 3067 C CA . SER C 1 27 ? 47.688 -19.431 -15.057 1.00 26.84 ? 105 SER C CA 1 ATOM 3068 C C . SER C 1 27 ? 47.517 -18.139 -15.852 1.00 27.32 ? 105 SER C C 1 ATOM 3069 O O . SER C 1 27 ? 46.686 -18.073 -16.765 1.00 27.36 ? 105 SER C O 1 ATOM 3070 C CB . SER C 1 27 ? 48.211 -20.553 -15.951 1.00 27.13 ? 105 SER C CB 1 ATOM 3071 O OG . SER C 1 27 ? 48.363 -21.759 -15.219 1.00 26.37 ? 105 SER C OG 1 ATOM 3072 N N . THR C 1 28 ? 48.293 -17.114 -15.501 1.00 27.22 ? 106 THR C N 1 ATOM 3073 C CA . THR C 1 28 ? 48.109 -15.780 -16.078 1.00 27.48 ? 106 THR C CA 1 ATOM 3074 C C . THR C 1 28 ? 49.369 -15.198 -16.721 1.00 27.77 ? 106 THR C C 1 ATOM 3075 O O . THR C 1 28 ? 50.490 -15.427 -16.244 1.00 27.10 ? 106 THR C O 1 ATOM 3076 C CB . THR C 1 28 ? 47.627 -14.776 -15.021 1.00 27.30 ? 106 THR C CB 1 ATOM 3077 O OG1 . THR C 1 28 ? 48.555 -14.766 -13.931 1.00 27.10 ? 106 THR C OG1 1 ATOM 3078 C CG2 . THR C 1 28 ? 46.212 -15.132 -14.520 1.00 27.24 ? 106 THR C CG2 1 ATOM 3079 N N . ARG C 1 29 ? 49.155 -14.426 -17.789 1.00 28.09 ? 107 ARG C N 1 ATOM 3080 C CA . ARG C 1 29 ? 50.207 -13.665 -18.459 1.00 29.46 ? 107 ARG C CA 1 ATOM 3081 C C . ARG C 1 29 ? 50.415 -12.334 -17.747 1.00 29.37 ? 107 ARG C C 1 ATOM 3082 O O . ARG C 1 29 ? 51.489 -11.729 -17.830 1.00 29.43 ? 107 ARG C O 1 ATOM 3083 C CB . ARG C 1 29 ? 49.827 -13.394 -19.917 1.00 29.31 ? 107 ARG C CB 1 ATOM 3084 C CG . ARG C 1 29 ? 49.788 -14.614 -20.826 1.00 31.03 ? 107 ARG C CG 1 ATOM 3085 C CD . ARG C 1 29 ? 49.286 -14.253 -22.233 1.00 31.89 ? 107 ARG C CD 1 ATOM 3086 N NE . ARG C 1 29 ? 47.865 -13.890 -22.223 1.00 37.52 ? 107 ARG C NE 1 ATOM 3087 C CZ . ARG C 1 29 ? 47.128 -13.663 -23.310 1.00 39.65 ? 107 ARG C CZ 1 ATOM 3088 N NH1 . ARG C 1 29 ? 47.661 -13.753 -24.526 1.00 40.66 ? 107 ARG C NH1 1 ATOM 3089 N NH2 . ARG C 1 29 ? 45.844 -13.342 -23.178 1.00 41.15 ? 107 ARG C NH2 1 ATOM 3090 N N . SER C 1 30 ? 49.372 -11.880 -17.055 1.00 29.51 ? 108 SER C N 1 ATOM 3091 C CA . SER C 1 30 ? 49.417 -10.629 -16.315 1.00 29.56 ? 108 SER C CA 1 ATOM 3092 C C . SER C 1 30 ? 48.554 -10.687 -15.054 1.00 29.72 ? 108 SER C C 1 ATOM 3093 O O . SER C 1 30 ? 47.588 -11.457 -14.978 1.00 29.80 ? 108 SER C O 1 ATOM 3094 C CB . SER C 1 30 ? 49.004 -9.453 -17.209 1.00 29.94 ? 108 SER C CB 1 ATOM 3095 O OG . SER C 1 30 ? 47.708 -9.632 -17.744 1.00 30.60 ? 108 SER C OG 1 ATOM 3096 N N . ASP C 1 31 ? 48.921 -9.878 -14.061 1.00 29.36 ? 109 ASP C N 1 ATOM 3097 C CA . ASP C 1 31 ? 48.171 -9.785 -12.817 1.00 28.92 ? 109 ASP C CA 1 ATOM 3098 C C . ASP C 1 31 ? 47.956 -8.328 -12.417 1.00 29.08 ? 109 ASP C C 1 ATOM 3099 O O . ASP C 1 31 ? 48.695 -7.430 -12.839 1.00 28.33 ? 109 ASP C O 1 ATOM 3100 C CB . ASP C 1 31 ? 48.874 -10.545 -11.683 1.00 28.64 ? 109 ASP C CB 1 ATOM 3101 C CG . ASP C 1 31 ? 49.142 -12.001 -12.026 1.00 29.90 ? 109 ASP C CG 1 ATOM 3102 O OD1 . ASP C 1 31 ? 48.176 -12.786 -12.205 1.00 29.24 ? 109 ASP C OD1 1 ATOM 3103 O OD2 . ASP C 1 31 ? 50.329 -12.362 -12.123 1.00 30.51 ? 109 ASP C OD2 1 ATOM 3104 N N . ARG C 1 32 ? 46.922 -8.113 -11.612 1.00 29.11 ? 110 ARG C N 1 ATOM 3105 C CA . ARG C 1 32 ? 46.628 -6.824 -11.028 1.00 30.05 ? 110 ARG C CA 1 ATOM 3106 C C . ARG C 1 32 ? 46.309 -7.090 -9.561 1.00 29.87 ? 110 ARG C C 1 ATOM 3107 O O . ARG C 1 32 ? 45.457 -7.930 -9.250 1.00 30.05 ? 110 ARG C O 1 ATOM 3108 C CB . ARG C 1 32 ? 45.443 -6.188 -11.748 1.00 30.41 ? 110 ARG C CB 1 ATOM 3109 C CG . ARG C 1 32 ? 45.476 -4.674 -11.834 1.00 33.98 ? 110 ARG C CG 1 ATOM 3110 C CD . ARG C 1 32 ? 44.520 -4.190 -12.954 1.00 36.74 ? 110 ARG C CD 1 ATOM 3111 N NE . ARG C 1 32 ? 43.201 -3.846 -12.428 1.00 41.06 ? 110 ARG C NE 1 ATOM 3112 C CZ . ARG C 1 32 ? 42.038 -4.130 -13.011 1.00 42.10 ? 110 ARG C CZ 1 ATOM 3113 N NH1 . ARG C 1 32 ? 41.990 -4.813 -14.151 1.00 43.77 ? 110 ARG C NH1 1 ATOM 3114 N NH2 . ARG C 1 32 ? 40.913 -3.752 -12.430 1.00 42.86 ? 110 ARG C NH2 1 ATOM 3115 N N . LEU C 1 33 ? 47.028 -6.402 -8.674 1.00 29.53 ? 111 LEU C N 1 ATOM 3116 C CA . LEU C 1 33 ? 46.856 -6.524 -7.223 1.00 29.20 ? 111 LEU C CA 1 ATOM 3117 C C . LEU C 1 33 ? 46.764 -5.129 -6.597 1.00 28.87 ? 111 LEU C C 1 ATOM 3118 O O . LEU C 1 33 ? 47.629 -4.281 -6.839 1.00 28.66 ? 111 LEU C O 1 ATOM 3119 C CB . LEU C 1 33 ? 48.032 -7.291 -6.611 1.00 29.27 ? 111 LEU C CB 1 ATOM 3120 C CG . LEU C 1 33 ? 48.180 -7.415 -5.083 1.00 30.03 ? 111 LEU C CG 1 ATOM 3121 C CD1 . LEU C 1 33 ? 47.007 -8.174 -4.468 1.00 31.48 ? 111 LEU C CD1 1 ATOM 3122 C CD2 . LEU C 1 33 ? 49.500 -8.108 -4.742 1.00 30.53 ? 111 LEU C CD2 1 ATOM 3123 N N . ALA C 1 34 ? 45.720 -4.898 -5.805 1.00 28.18 ? 112 ALA C N 1 ATOM 3124 C CA . ALA C 1 34 ? 45.568 -3.644 -5.061 1.00 28.14 ? 112 ALA C CA 1 ATOM 3125 C C . ALA C 1 34 ? 44.972 -3.909 -3.683 1.00 28.00 ? 112 ALA C C 1 ATOM 3126 O O . ALA C 1 34 ? 44.151 -4.809 -3.521 1.00 28.40 ? 112 ALA C O 1 ATOM 3127 C CB . ALA C 1 34 ? 44.704 -2.664 -5.838 1.00 27.77 ? 112 ALA C CB 1 ATOM 3128 N N . VAL C 1 35 ? 45.404 -3.142 -2.689 1.00 27.63 ? 113 VAL C N 1 ATOM 3129 C CA . VAL C 1 35 ? 44.852 -3.247 -1.337 1.00 27.47 ? 113 VAL C CA 1 ATOM 3130 C C . VAL C 1 35 ? 45.012 -1.935 -0.579 1.00 27.49 ? 113 VAL C C 1 ATOM 3131 O O . VAL C 1 35 ? 45.980 -1.199 -0.798 1.00 27.03 ? 113 VAL C O 1 ATOM 3132 C CB . VAL C 1 35 ? 45.459 -4.453 -0.522 1.00 27.42 ? 113 VAL C CB 1 ATOM 3133 C CG1 . VAL C 1 35 ? 46.913 -4.217 -0.146 1.00 27.37 ? 113 VAL C CG1 1 ATOM 3134 C CG2 . VAL C 1 35 ? 44.621 -4.759 0.735 1.00 27.27 ? 113 VAL C CG2 1 ATOM 3135 N N . GLY C 1 36 ? 44.035 -1.641 0.280 1.00 27.87 ? 114 GLY C N 1 ATOM 3136 C CA . GLY C 1 36 ? 44.146 -0.561 1.256 1.00 27.59 ? 114 GLY C CA 1 ATOM 3137 C C . GLY C 1 36 ? 44.724 -1.084 2.562 1.00 27.55 ? 114 GLY C C 1 ATOM 3138 O O . GLY C 1 36 ? 44.418 -2.199 2.999 1.00 27.65 ? 114 GLY C O 1 ATOM 3139 N N . PHE C 1 37 ? 45.572 -0.286 3.196 1.00 27.37 ? 115 PHE C N 1 ATOM 3140 C CA . PHE C 1 37 ? 46.237 -0.737 4.407 1.00 27.10 ? 115 PHE C CA 1 ATOM 3141 C C . PHE C 1 37 ? 46.606 0.433 5.300 1.00 27.33 ? 115 PHE C C 1 ATOM 3142 O O . PHE C 1 37 ? 46.795 1.556 4.827 1.00 27.36 ? 115 PHE C O 1 ATOM 3143 C CB . PHE C 1 37 ? 47.490 -1.580 4.081 1.00 26.95 ? 115 PHE C CB 1 ATOM 3144 C CG . PHE C 1 37 ? 48.623 -0.785 3.462 1.00 27.91 ? 115 PHE C CG 1 ATOM 3145 C CD1 . PHE C 1 37 ? 49.646 -0.269 4.261 1.00 27.20 ? 115 PHE C CD1 1 ATOM 3146 C CD2 . PHE C 1 37 ? 48.666 -0.561 2.080 1.00 26.97 ? 115 PHE C CD2 1 ATOM 3147 C CE1 . PHE C 1 37 ? 50.694 0.467 3.690 1.00 27.43 ? 115 PHE C CE1 1 ATOM 3148 C CE2 . PHE C 1 37 ? 49.708 0.175 1.498 1.00 26.43 ? 115 PHE C CE2 1 ATOM 3149 C CZ . PHE C 1 37 ? 50.721 0.691 2.305 1.00 26.67 ? 115 PHE C CZ 1 ATOM 3150 N N . SER C 1 38 ? 46.675 0.146 6.593 1.00 26.76 ? 116 SER C N 1 ATOM 3151 C CA A SER C 1 38 ? 47.239 1.069 7.567 0.18 27.13 ? 116 SER C CA 1 ATOM 3152 C CA B SER C 1 38 ? 47.214 1.070 7.576 0.82 27.19 ? 116 SER C CA 1 ATOM 3153 C C . SER C 1 38 ? 48.071 0.248 8.540 1.00 27.16 ? 116 SER C C 1 ATOM 3154 O O . SER C 1 38 ? 47.609 -0.773 9.063 1.00 27.36 ? 116 SER C O 1 ATOM 3155 C CB A SER C 1 38 ? 46.144 1.849 8.300 0.18 26.89 ? 116 SER C CB 1 ATOM 3156 C CB B SER C 1 38 ? 46.071 1.769 8.317 0.82 26.33 ? 116 SER C CB 1 ATOM 3157 O OG A SER C 1 38 ? 45.386 1.002 9.142 0.18 27.10 ? 116 SER C OG 1 ATOM 3158 O OG B SER C 1 38 ? 46.568 2.722 9.223 0.82 26.56 ? 116 SER C OG 1 ATOM 3159 N N . THR C 1 39 ? 49.310 0.679 8.764 1.00 27.18 ? 117 THR C N 1 ATOM 3160 C CA . THR C 1 39 ? 50.235 -0.095 9.585 1.00 27.13 ? 117 THR C CA 1 ATOM 3161 C C . THR C 1 39 ? 51.381 0.752 10.128 1.00 27.63 ? 117 THR C C 1 ATOM 3162 O O . THR C 1 39 ? 51.660 1.840 9.615 1.00 27.57 ? 117 THR C O 1 ATOM 3163 C CB . THR C 1 39 ? 50.806 -1.298 8.780 1.00 27.61 ? 117 THR C CB 1 ATOM 3164 O OG1 . THR C 1 39 ? 51.456 -2.215 9.664 1.00 26.50 ? 117 THR C OG1 1 ATOM 3165 C CG2 . THR C 1 39 ? 51.785 -0.840 7.692 1.00 27.61 ? 117 THR C CG2 1 ATOM 3166 N N . THR C 1 40 ? 52.018 0.255 11.183 1.00 27.88 ? 118 THR C N 1 ATOM 3167 C CA . THR C 1 40 ? 53.267 0.826 11.676 1.00 28.27 ? 118 THR C CA 1 ATOM 3168 C C . THR C 1 40 ? 54.400 -0.220 11.715 1.00 28.46 ? 118 THR C C 1 ATOM 3169 O O . THR C 1 40 ? 55.501 0.095 12.155 1.00 28.25 ? 118 THR C O 1 ATOM 3170 C CB . THR C 1 40 ? 53.114 1.490 13.081 1.00 27.89 ? 118 THR C CB 1 ATOM 3171 O OG1 . THR C 1 40 ? 52.752 0.502 14.047 1.00 28.55 ? 118 THR C OG1 1 ATOM 3172 C CG2 . THR C 1 40 ? 52.056 2.575 13.067 1.00 27.95 ? 118 THR C CG2 1 ATOM 3173 N N . VAL C 1 41 ? 54.133 -1.446 11.256 1.00 29.18 ? 119 VAL C N 1 ATOM 3174 C CA . VAL C 1 41 ? 55.160 -2.508 11.244 1.00 29.76 ? 119 VAL C CA 1 ATOM 3175 C C . VAL C 1 41 ? 56.335 -2.124 10.341 1.00 30.21 ? 119 VAL C C 1 ATOM 3176 O O . VAL C 1 41 ? 56.128 -1.591 9.243 1.00 30.32 ? 119 VAL C O 1 ATOM 3177 C CB . VAL C 1 41 ? 54.613 -3.922 10.803 1.00 29.98 ? 119 VAL C CB 1 ATOM 3178 C CG1 . VAL C 1 41 ? 53.498 -4.399 11.716 1.00 30.21 ? 119 VAL C CG1 1 ATOM 3179 C CG2 . VAL C 1 41 ? 54.161 -3.946 9.328 1.00 29.43 ? 119 VAL C CG2 1 ATOM 3180 N N . LYS C 1 42 ? 57.556 -2.384 10.810 1.00 30.37 ? 120 LYS C N 1 ATOM 3181 C CA . LYS C 1 42 ? 58.756 -2.200 9.986 1.00 30.73 ? 120 LYS C CA 1 ATOM 3182 C C . LYS C 1 42 ? 58.860 -3.294 8.927 1.00 30.42 ? 120 LYS C C 1 ATOM 3183 O O . LYS C 1 42 ? 59.411 -3.066 7.853 1.00 29.94 ? 120 LYS C O 1 ATOM 3184 C CB . LYS C 1 42 ? 60.043 -2.196 10.829 1.00 30.69 ? 120 LYS C CB 1 ATOM 3185 C CG . LYS C 1 42 ? 60.164 -1.080 11.878 1.00 33.25 ? 120 LYS C CG 1 ATOM 3186 C CD . LYS C 1 42 ? 59.893 0.327 11.318 1.00 36.99 ? 120 LYS C CD 1 ATOM 3187 C CE . LYS C 1 42 ? 61.040 0.885 10.452 1.00 39.14 ? 120 LYS C CE 1 ATOM 3188 N NZ . LYS C 1 42 ? 60.645 2.173 9.783 1.00 38.32 ? 120 LYS C NZ 1 ATOM 3189 N N . ASP C 1 43 ? 58.336 -4.478 9.249 1.00 30.48 ? 121 ASP C N 1 ATOM 3190 C CA . ASP C 1 43 ? 58.467 -5.657 8.397 1.00 30.64 ? 121 ASP C CA 1 ATOM 3191 C C . ASP C 1 43 ? 57.231 -6.530 8.515 1.00 30.49 ? 121 ASP C C 1 ATOM 3192 O O . ASP C 1 43 ? 56.718 -6.747 9.610 1.00 30.79 ? 121 ASP C O 1 ATOM 3193 C CB . ASP C 1 43 ? 59.711 -6.469 8.800 1.00 30.90 ? 121 ASP C CB 1 ATOM 3194 C CG . ASP C 1 43 ? 60.001 -7.627 7.844 1.00 32.41 ? 121 ASP C CG 1 ATOM 3195 O OD1 . ASP C 1 43 ? 59.305 -8.670 7.921 1.00 34.45 ? 121 ASP C OD1 1 ATOM 3196 O OD2 . ASP C 1 43 ? 60.942 -7.504 7.025 1.00 32.96 ? 121 ASP C OD2 1 ATOM 3197 N N . GLY C 1 44 ? 56.758 -7.031 7.381 1.00 30.30 ? 122 GLY C N 1 ATOM 3198 C CA . GLY C 1 44 ? 55.678 -8.010 7.368 1.00 29.87 ? 122 GLY C CA 1 ATOM 3199 C C . GLY C 1 44 ? 55.188 -8.296 5.969 1.00 29.58 ? 122 GLY C C 1 ATOM 3200 O O . GLY C 1 44 ? 55.250 -7.435 5.083 1.00 29.52 ? 122 GLY C O 1 ATOM 3201 N N . ILE C 1 45 ? 54.696 -9.513 5.763 1.00 29.24 ? 123 ILE C N 1 ATOM 3202 C CA . ILE C 1 45 ? 54.052 -9.866 4.496 1.00 28.72 ? 123 ILE C CA 1 ATOM 3203 C C . ILE C 1 45 ? 52.550 -9.575 4.568 1.00 28.74 ? 123 ILE C C 1 ATOM 3204 O O . ILE C 1 45 ? 51.869 -10.047 5.474 1.00 28.49 ? 123 ILE C O 1 ATOM 3205 C CB . ILE C 1 45 ? 54.319 -11.350 4.114 1.00 28.89 ? 123 ILE C CB 1 ATOM 3206 C CG1 . ILE C 1 45 ? 55.818 -11.558 3.814 1.00 28.75 ? 123 ILE C CG1 1 ATOM 3207 C CG2 . ILE C 1 45 ? 53.446 -11.773 2.949 1.00 28.58 ? 123 ILE C CG2 1 ATOM 3208 C CD1 . ILE C 1 45 ? 56.278 -13.002 3.789 1.00 28.51 ? 123 ILE C CD1 1 ATOM 3209 N N . LEU C 1 46 ? 52.046 -8.796 3.611 1.00 28.58 ? 124 LEU C N 1 ATOM 3210 C CA . LEU C 1 46 ? 50.626 -8.487 3.530 1.00 28.43 ? 124 LEU C CA 1 ATOM 3211 C C . LEU C 1 46 ? 49.847 -9.575 2.788 1.00 28.80 ? 124 LEU C C 1 ATOM 3212 O O . LEU C 1 46 ? 48.831 -10.071 3.290 1.00 29.06 ? 124 LEU C O 1 ATOM 3213 C CB . LEU C 1 46 ? 50.402 -7.132 2.848 1.00 28.56 ? 124 LEU C CB 1 ATOM 3214 C CG . LEU C 1 46 ? 50.684 -5.859 3.659 1.00 28.31 ? 124 LEU C CG 1 ATOM 3215 C CD1 . LEU C 1 46 ? 52.182 -5.652 3.866 1.00 28.71 ? 124 LEU C CD1 1 ATOM 3216 C CD2 . LEU C 1 46 ? 50.062 -4.658 2.955 1.00 27.83 ? 124 LEU C CD2 1 ATOM 3217 N N . VAL C 1 47 ? 50.321 -9.925 1.593 1.00 28.55 ? 125 VAL C N 1 ATOM 3218 C CA . VAL C 1 47 ? 49.625 -10.862 0.689 1.00 28.79 ? 125 VAL C CA 1 ATOM 3219 C C . VAL C 1 47 ? 50.674 -11.655 -0.074 1.00 28.38 ? 125 VAL C C 1 ATOM 3220 O O . VAL C 1 47 ? 51.644 -11.078 -0.577 1.00 28.95 ? 125 VAL C O 1 ATOM 3221 C CB . VAL C 1 47 ? 48.734 -10.119 -0.366 1.00 28.54 ? 125 VAL C CB 1 ATOM 3222 C CG1 . VAL C 1 47 ? 47.883 -11.118 -1.174 1.00 29.33 ? 125 VAL C CG1 1 ATOM 3223 C CG2 . VAL C 1 47 ? 47.838 -9.088 0.276 1.00 30.06 ? 125 VAL C CG2 1 ATOM 3224 N N . ARG C 1 48 ? 50.499 -12.972 -0.140 1.00 27.60 ? 126 ARG C N 1 ATOM 3225 C CA . ARG C 1 48 ? 51.347 -13.811 -0.977 1.00 27.06 ? 126 ARG C CA 1 ATOM 3226 C C . ARG C 1 48 ? 50.532 -14.850 -1.732 1.00 26.83 ? 126 ARG C C 1 ATOM 3227 O O . ARG C 1 48 ? 49.756 -15.607 -1.134 1.00 26.55 ? 126 ARG C O 1 ATOM 3228 C CB . ARG C 1 48 ? 52.455 -14.495 -0.157 1.00 26.76 ? 126 ARG C CB 1 ATOM 3229 C CG . ARG C 1 48 ? 53.444 -15.277 -1.005 1.00 27.48 ? 126 ARG C CG 1 ATOM 3230 C CD . ARG C 1 48 ? 54.510 -15.938 -0.154 1.00 27.20 ? 126 ARG C CD 1 ATOM 3231 N NE . ARG C 1 48 ? 55.160 -17.052 -0.842 1.00 27.84 ? 126 ARG C NE 1 ATOM 3232 C CZ . ARG C 1 48 ? 56.472 -17.164 -1.030 1.00 27.74 ? 126 ARG C CZ 1 ATOM 3233 N NH1 . ARG C 1 48 ? 57.302 -16.227 -0.576 1.00 26.00 ? 126 ARG C NH1 1 ATOM 3234 N NH2 . ARG C 1 48 ? 56.953 -18.229 -1.660 1.00 27.97 ? 126 ARG C NH2 1 ATOM 3235 N N . ILE C 1 49 ? 50.720 -14.873 -3.048 1.00 26.54 ? 127 ILE C N 1 ATOM 3236 C CA . ILE C 1 49 ? 50.101 -15.865 -3.911 1.00 26.61 ? 127 ILE C CA 1 ATOM 3237 C C . ILE C 1 49 ? 51.171 -16.893 -4.256 1.00 26.54 ? 127 ILE C C 1 ATOM 3238 O O . ILE C 1 49 ? 52.271 -16.530 -4.685 1.00 26.38 ? 127 ILE C O 1 ATOM 3239 C CB . ILE C 1 49 ? 49.483 -15.224 -5.203 1.00 26.62 ? 127 ILE C CB 1 ATOM 3240 C CG1 . ILE C 1 49 ? 48.517 -14.077 -4.851 1.00 26.96 ? 127 ILE C CG1 1 ATOM 3241 C CG2 . ILE C 1 49 ? 48.735 -16.273 -6.017 1.00 26.52 ? 127 ILE C CG2 1 ATOM 3242 C CD1 . ILE C 1 49 ? 49.117 -12.662 -4.940 1.00 27.76 ? 127 ILE C CD1 1 ATOM 3243 N N . ASP C 1 50 ? 50.857 -18.164 -4.020 1.00 26.46 ? 128 ASP C N 1 ATOM 3244 C CA . ASP C 1 50 ? 51.748 -19.271 -4.340 1.00 26.70 ? 128 ASP C CA 1 ATOM 3245 C C . ASP C 1 50 ? 51.138 -20.189 -5.396 1.00 26.55 ? 128 ASP C C 1 ATOM 3246 O O . ASP C 1 50 ? 49.934 -20.474 -5.369 1.00 26.28 ? 128 ASP C O 1 ATOM 3247 C CB . ASP C 1 50 ? 52.043 -20.097 -3.086 1.00 26.79 ? 128 ASP C CB 1 ATOM 3248 C CG . ASP C 1 50 ? 53.231 -19.575 -2.305 1.00 28.50 ? 128 ASP C CG 1 ATOM 3249 O OD1 . ASP C 1 50 ? 54.375 -19.999 -2.591 1.00 30.48 ? 128 ASP C OD1 1 ATOM 3250 O OD2 . ASP C 1 50 ? 53.019 -18.768 -1.387 1.00 29.27 ? 128 ASP C OD2 1 ATOM 3251 N N . SER C 1 51 ? 51.988 -20.663 -6.305 1.00 26.32 ? 129 SER C N 1 ATOM 3252 C CA . SER C 1 51 ? 51.627 -21.698 -7.273 1.00 26.16 ? 129 SER C CA 1 ATOM 3253 C C . SER C 1 51 ? 51.511 -23.054 -6.584 1.00 25.49 ? 129 SER C C 1 ATOM 3254 O O . SER C 1 51 ? 51.844 -23.188 -5.404 1.00 25.41 ? 129 SER C O 1 ATOM 3255 C CB . SER C 1 51 ? 52.686 -21.778 -8.384 1.00 26.47 ? 129 SER C CB 1 ATOM 3256 O OG . SER C 1 51 ? 52.658 -20.596 -9.176 1.00 28.81 ? 129 SER C OG 1 ATOM 3257 N N . ALA C 1 52 ? 51.052 -24.061 -7.329 1.00 25.15 ? 130 ALA C N 1 ATOM 3258 C CA . ALA C 1 52 ? 50.958 -25.432 -6.834 1.00 24.40 ? 130 ALA C CA 1 ATOM 3259 C C . ALA C 1 52 ? 52.276 -25.845 -6.178 1.00 23.95 ? 130 ALA C C 1 ATOM 3260 O O . ALA C 1 52 ? 53.340 -25.364 -6.584 1.00 24.24 ? 130 ALA C O 1 ATOM 3261 C CB . ALA C 1 52 ? 50.621 -26.391 -7.984 1.00 24.37 ? 130 ALA C CB 1 ATOM 3262 N N . PRO C 1 53 ? 52.216 -26.758 -5.187 1.00 23.68 ? 131 PRO C N 1 ATOM 3263 C CA . PRO C 1 53 ? 53.427 -27.251 -4.538 1.00 23.20 ? 131 PRO C CA 1 ATOM 3264 C C . PRO C 1 53 ? 54.362 -27.838 -5.590 1.00 22.74 ? 131 PRO C C 1 ATOM 3265 O O . PRO C 1 53 ? 53.897 -28.546 -6.483 1.00 22.32 ? 131 PRO C O 1 ATOM 3266 C CB . PRO C 1 53 ? 52.915 -28.389 -3.654 1.00 23.35 ? 131 PRO C CB 1 ATOM 3267 C CG . PRO C 1 53 ? 51.487 -28.168 -3.497 1.00 23.82 ? 131 PRO C CG 1 ATOM 3268 C CD . PRO C 1 53 ? 50.999 -27.397 -4.652 1.00 23.73 ? 131 PRO C CD 1 ATOM 3269 N N . GLY C 1 54 ? 55.658 -27.544 -5.482 1.00 22.51 ? 132 GLY C N 1 ATOM 3270 C CA . GLY C 1 54 ? 56.665 -28.126 -6.371 1.00 22.16 ? 132 GLY C CA 1 ATOM 3271 C C . GLY C 1 54 ? 57.209 -27.177 -7.428 1.00 22.49 ? 132 GLY C C 1 ATOM 3272 O O . GLY C 1 54 ? 58.298 -27.399 -7.960 1.00 22.37 ? 132 GLY C O 1 ATOM 3273 N N . LEU C 1 55 ? 56.435 -26.139 -7.749 1.00 22.71 ? 133 LEU C N 1 ATOM 3274 C CA . LEU C 1 55 ? 56.817 -25.153 -8.762 1.00 23.52 ? 133 LEU C CA 1 ATOM 3275 C C . LEU C 1 55 ? 57.726 -24.052 -8.196 1.00 24.05 ? 133 LEU C C 1 ATOM 3276 O O . LEU C 1 55 ? 58.743 -23.705 -8.804 1.00 24.36 ? 133 LEU C O 1 ATOM 3277 C CB . LEU C 1 55 ? 55.573 -24.523 -9.414 1.00 23.12 ? 133 LEU C CB 1 ATOM 3278 C CG . LEU C 1 55 ? 54.801 -25.319 -10.481 1.00 23.85 ? 133 LEU C CG 1 ATOM 3279 C CD1 . LEU C 1 55 ? 53.602 -24.500 -10.976 1.00 23.74 ? 133 LEU C CD1 1 ATOM 3280 C CD2 . LEU C 1 55 ? 55.704 -25.747 -11.651 1.00 22.45 ? 133 LEU C CD2 1 ATOM 3281 N N . GLY C 1 56 ? 57.357 -23.518 -7.034 1.00 24.39 ? 134 GLY C N 1 ATOM 3282 C CA . GLY C 1 56 ? 58.145 -22.464 -6.376 1.00 25.14 ? 134 GLY C CA 1 ATOM 3283 C C . GLY C 1 56 ? 57.746 -21.049 -6.759 1.00 25.63 ? 134 GLY C C 1 ATOM 3284 O O . GLY C 1 56 ? 58.215 -20.081 -6.143 1.00 26.13 ? 134 GLY C O 1 ATOM 3285 N N . ASP C 1 57 ? 56.881 -20.917 -7.767 1.00 25.48 ? 135 ASP C N 1 ATOM 3286 C CA . ASP C 1 57 ? 56.481 -19.607 -8.277 1.00 26.01 ? 135 ASP C CA 1 ATOM 3287 C C . ASP C 1 57 ? 55.593 -18.890 -7.259 1.00 25.80 ? 135 ASP C C 1 ATOM 3288 O O . ASP C 1 57 ? 54.733 -19.511 -6.639 1.00 25.66 ? 135 ASP C O 1 ATOM 3289 C CB . ASP C 1 57 ? 55.727 -19.746 -9.600 1.00 26.20 ? 135 ASP C CB 1 ATOM 3290 C CG . ASP C 1 57 ? 56.534 -20.468 -10.685 1.00 28.20 ? 135 ASP C CG 1 ATOM 3291 O OD1 . ASP C 1 57 ? 57.673 -20.936 -10.447 1.00 29.62 ? 135 ASP C OD1 1 ATOM 3292 O OD2 . ASP C 1 57 ? 56.003 -20.575 -11.807 1.00 31.37 ? 135 ASP C OD2 1 ATOM 3293 N N . PHE C 1 58 ? 55.800 -17.586 -7.097 1.00 25.93 ? 136 PHE C N 1 ATOM 3294 C CA . PHE C 1 58 ? 55.035 -16.802 -6.127 1.00 26.13 ? 136 PHE C CA 1 ATOM 3295 C C . PHE C 1 58 ? 54.976 -15.312 -6.487 1.00 26.40 ? 136 PHE C C 1 ATOM 3296 O O . PHE C 1 58 ? 55.761 -14.829 -7.299 1.00 26.07 ? 136 PHE C O 1 ATOM 3297 C CB . PHE C 1 58 ? 55.642 -16.954 -4.730 1.00 26.06 ? 136 PHE C CB 1 ATOM 3298 C CG . PHE C 1 58 ? 56.973 -16.278 -4.573 1.00 27.00 ? 136 PHE C CG 1 ATOM 3299 C CD1 . PHE C 1 58 ? 58.151 -16.941 -4.902 1.00 27.16 ? 136 PHE C CD1 1 ATOM 3300 C CD2 . PHE C 1 58 ? 57.051 -14.971 -4.105 1.00 28.12 ? 136 PHE C CD2 1 ATOM 3301 C CE1 . PHE C 1 58 ? 59.388 -16.304 -4.761 1.00 27.87 ? 136 PHE C CE1 1 ATOM 3302 C CE2 . PHE C 1 58 ? 58.287 -14.337 -3.960 1.00 26.93 ? 136 PHE C CE2 1 ATOM 3303 C CZ . PHE C 1 58 ? 59.443 -14.999 -4.291 1.00 26.93 ? 136 PHE C CZ 1 ATOM 3304 N N . LEU C 1 59 ? 54.064 -14.597 -5.832 1.00 26.35 ? 137 LEU C N 1 ATOM 3305 C CA . LEU C 1 59 ? 53.928 -13.144 -5.947 1.00 26.92 ? 137 LEU C CA 1 ATOM 3306 C C . LEU C 1 59 ? 53.615 -12.620 -4.545 1.00 26.95 ? 137 LEU C C 1 ATOM 3307 O O . LEU C 1 59 ? 52.589 -12.965 -3.963 1.00 26.61 ? 137 LEU C O 1 ATOM 3308 C CB . LEU C 1 59 ? 52.805 -12.787 -6.926 1.00 26.94 ? 137 LEU C CB 1 ATOM 3309 C CG . LEU C 1 59 ? 52.644 -11.356 -7.466 1.00 28.08 ? 137 LEU C CG 1 ATOM 3310 C CD1 . LEU C 1 59 ? 51.785 -11.396 -8.734 1.00 28.28 ? 137 LEU C CD1 1 ATOM 3311 C CD2 . LEU C 1 59 ? 52.043 -10.407 -6.436 1.00 27.53 ? 137 LEU C CD2 1 ATOM 3312 N N . GLN C 1 60 ? 54.514 -11.800 -4.008 1.00 26.93 ? 138 GLN C N 1 ATOM 3313 C CA . GLN C 1 60 ? 54.463 -11.415 -2.609 1.00 26.94 ? 138 GLN C CA 1 ATOM 3314 C C . GLN C 1 60 ? 54.527 -9.894 -2.415 1.00 26.78 ? 138 GLN C C 1 ATOM 3315 O O . GLN C 1 60 ? 55.485 -9.244 -2.816 1.00 26.48 ? 138 GLN C O 1 ATOM 3316 C CB . GLN C 1 60 ? 55.591 -12.110 -1.859 1.00 26.88 ? 138 GLN C CB 1 ATOM 3317 C CG . GLN C 1 60 ? 55.857 -11.626 -0.436 1.00 26.89 ? 138 GLN C CG 1 ATOM 3318 C CD . GLN C 1 60 ? 57.040 -12.357 0.171 1.00 27.55 ? 138 GLN C CD 1 ATOM 3319 O OE1 . GLN C 1 60 ? 56.980 -13.562 0.371 1.00 29.01 ? 138 GLN C OE1 1 ATOM 3320 N NE2 . GLN C 1 60 ? 58.126 -11.631 0.459 1.00 26.60 ? 138 GLN C NE2 1 ATOM 3321 N N . LEU C 1 61 ? 53.477 -9.357 -1.804 1.00 26.73 ? 139 LEU C N 1 ATOM 3322 C CA . LEU C 1 61 ? 53.404 -7.952 -1.417 1.00 26.65 ? 139 LEU C CA 1 ATOM 3323 C C . LEU C 1 61 ? 53.837 -7.849 0.037 1.00 26.65 ? 139 LEU C C 1 ATOM 3324 O O . LEU C 1 61 ? 53.246 -8.492 0.911 1.00 26.21 ? 139 LEU C O 1 ATOM 3325 C CB . LEU C 1 61 ? 51.964 -7.435 -1.574 1.00 26.56 ? 139 LEU C CB 1 ATOM 3326 C CG . LEU C 1 61 ? 51.701 -5.987 -1.114 1.00 26.94 ? 139 LEU C CG 1 ATOM 3327 C CD1 . LEU C 1 61 ? 52.407 -4.952 -1.990 1.00 25.61 ? 139 LEU C CD1 1 ATOM 3328 C CD2 . LEU C 1 61 ? 50.208 -5.703 -1.048 1.00 26.24 ? 139 LEU C CD2 1 ATOM 3329 N N . HIS C 1 62 ? 54.864 -7.044 0.300 1.00 27.02 ? 140 HIS C N 1 ATOM 3330 C CA . HIS C 1 62 ? 55.430 -6.981 1.639 1.00 27.96 ? 140 HIS C CA 1 ATOM 3331 C C . HIS C 1 62 ? 56.045 -5.632 1.978 1.00 28.06 ? 140 HIS C C 1 ATOM 3332 O O . HIS C 1 62 ? 56.332 -4.816 1.096 1.00 28.09 ? 140 HIS C O 1 ATOM 3333 C CB . HIS C 1 62 ? 56.477 -8.091 1.821 1.00 28.14 ? 140 HIS C CB 1 ATOM 3334 C CG . HIS C 1 62 ? 57.680 -7.943 0.935 1.00 30.25 ? 140 HIS C CG 1 ATOM 3335 N ND1 . HIS C 1 62 ? 58.954 -8.240 1.357 1.00 33.64 ? 140 HIS C ND1 1 ATOM 3336 C CD2 . HIS C 1 62 ? 57.800 -7.519 -0.347 1.00 32.71 ? 140 HIS C CD2 1 ATOM 3337 C CE1 . HIS C 1 62 ? 59.809 -8.014 0.373 1.00 34.65 ? 140 HIS C CE1 1 ATOM 3338 N NE2 . HIS C 1 62 ? 59.135 -7.563 -0.668 1.00 33.46 ? 140 HIS C NE2 1 ATOM 3339 N N . ILE C 1 63 ? 56.255 -5.426 3.272 1.00 28.06 ? 141 ILE C N 1 ATOM 3340 C CA . ILE C 1 63 ? 56.942 -4.251 3.793 1.00 27.96 ? 141 ILE C CA 1 ATOM 3341 C C . ILE C 1 63 ? 58.276 -4.701 4.391 1.00 28.31 ? 141 ILE C C 1 ATOM 3342 O O . ILE C 1 63 ? 58.335 -5.685 5.132 1.00 27.72 ? 141 ILE C O 1 ATOM 3343 C CB . ILE C 1 63 ? 56.062 -3.508 4.833 1.00 27.80 ? 141 ILE C CB 1 ATOM 3344 C CG1 . ILE C 1 63 ? 54.841 -2.888 4.135 1.00 27.59 ? 141 ILE C CG1 1 ATOM 3345 C CG2 . ILE C 1 63 ? 56.861 -2.420 5.551 1.00 26.65 ? 141 ILE C CG2 1 ATOM 3346 C CD1 . ILE C 1 63 ? 53.720 -2.432 5.070 1.00 28.34 ? 141 ILE C CD1 1 ATOM 3347 N N . GLU C 1 64 ? 59.343 -4.000 4.016 1.00 28.77 ? 142 GLU C N 1 ATOM 3348 C CA . GLU C 1 64 ? 60.678 -4.239 4.543 1.00 30.02 ? 142 GLU C CA 1 ATOM 3349 C C . GLU C 1 64 ? 61.265 -2.889 4.900 1.00 29.10 ? 142 GLU C C 1 ATOM 3350 O O . GLU C 1 64 ? 61.286 -1.989 4.056 1.00 28.91 ? 142 GLU C O 1 ATOM 3351 C CB . GLU C 1 64 ? 61.580 -4.892 3.497 1.00 30.14 ? 142 GLU C CB 1 ATOM 3352 C CG . GLU C 1 64 ? 61.174 -6.276 3.053 1.00 32.70 ? 142 GLU C CG 1 ATOM 3353 C CD . GLU C 1 64 ? 62.214 -6.923 2.139 1.00 33.18 ? 142 GLU C CD 1 ATOM 3354 O OE1 . GLU C 1 64 ? 62.755 -6.229 1.252 1.00 37.53 ? 142 GLU C OE1 1 ATOM 3355 O OE2 . GLU C 1 64 ? 62.485 -8.134 2.304 1.00 38.37 ? 142 GLU C OE2 1 ATOM 3356 N N . GLN C 1 65 ? 61.751 -2.756 6.134 1.00 28.81 ? 143 GLN C N 1 ATOM 3357 C CA . GLN C 1 65 ? 62.247 -1.477 6.656 1.00 28.69 ? 143 GLN C CA 1 ATOM 3358 C C . GLN C 1 65 ? 61.254 -0.335 6.397 1.00 27.75 ? 143 GLN C C 1 ATOM 3359 O O . GLN C 1 65 ? 61.640 0.758 5.966 1.00 27.34 ? 143 GLN C O 1 ATOM 3360 C CB . GLN C 1 65 ? 63.620 -1.139 6.063 1.00 28.81 ? 143 GLN C CB 1 ATOM 3361 C CG . GLN C 1 65 ? 64.716 -2.119 6.408 1.00 31.83 ? 143 GLN C CG 1 ATOM 3362 C CD . GLN C 1 65 ? 65.952 -1.908 5.553 1.00 35.99 ? 143 GLN C CD 1 ATOM 3363 O OE1 . GLN C 1 65 ? 65.910 -2.046 4.324 1.00 39.42 ? 143 GLN C OE1 1 ATOM 3364 N NE2 . GLN C 1 65 ? 67.059 -1.575 6.196 1.00 36.45 ? 143 GLN C NE2 1 ATOM 3365 N N . GLY C 1 66 ? 59.973 -0.612 6.638 1.00 27.14 ? 144 GLY C N 1 ATOM 3366 C CA . GLY C 1 66 ? 58.912 0.377 6.475 1.00 26.61 ? 144 GLY C CA 1 ATOM 3367 C C . GLY C 1 66 ? 58.526 0.700 5.044 1.00 26.22 ? 144 GLY C C 1 ATOM 3368 O O . GLY C 1 66 ? 57.601 1.468 4.808 1.00 26.15 ? 144 GLY C O 1 ATOM 3369 N N . LYS C 1 67 ? 59.224 0.117 4.078 1.00 26.11 ? 145 LYS C N 1 ATOM 3370 C CA . LYS C 1 67 ? 58.915 0.381 2.673 1.00 26.27 ? 145 LYS C CA 1 ATOM 3371 C C . LYS C 1 67 ? 58.177 -0.774 2.000 1.00 25.80 ? 145 LYS C C 1 ATOM 3372 O O . LYS C 1 67 ? 58.536 -1.934 2.186 1.00 26.07 ? 145 LYS C O 1 ATOM 3373 C CB . LYS C 1 67 ? 60.192 0.759 1.917 1.00 26.19 ? 145 LYS C CB 1 ATOM 3374 C CG . LYS C 1 67 ? 60.696 2.141 2.306 1.00 26.52 ? 145 LYS C CG 1 ATOM 3375 C CD . LYS C 1 67 ? 62.130 2.375 1.894 1.00 28.71 ? 145 LYS C CD 1 ATOM 3376 C CE . LYS C 1 67 ? 62.627 3.682 2.511 1.00 29.05 ? 145 LYS C CE 1 ATOM 3377 N NZ . LYS C 1 67 ? 64.062 3.957 2.233 1.00 31.66 ? 145 LYS C NZ 1 ATOM 3378 N N . ILE C 1 68 ? 57.147 -0.449 1.219 1.00 25.74 ? 146 ILE C N 1 ATOM 3379 C CA . ILE C 1 68 ? 56.330 -1.473 0.563 1.00 25.51 ? 146 ILE C CA 1 ATOM 3380 C C . ILE C 1 68 ? 56.870 -1.858 -0.823 1.00 25.68 ? 146 ILE C C 1 ATOM 3381 O O . ILE C 1 68 ? 57.417 -1.022 -1.556 1.00 25.43 ? 146 ILE C O 1 ATOM 3382 C CB . ILE C 1 68 ? 54.814 -1.088 0.513 1.00 25.65 ? 146 ILE C CB 1 ATOM 3383 C CG1 . ILE C 1 68 ? 53.940 -2.335 0.347 1.00 24.99 ? 146 ILE C CG1 1 ATOM 3384 C CG2 . ILE C 1 68 ? 54.535 -0.001 -0.549 1.00 25.57 ? 146 ILE C CG2 1 ATOM 3385 C CD1 . ILE C 1 68 ? 52.513 -2.171 0.846 1.00 24.17 ? 146 ILE C CD1 1 ATOM 3386 N N . GLY C 1 69 ? 56.718 -3.132 -1.167 1.00 25.25 ? 147 GLY C N 1 ATOM 3387 C CA . GLY C 1 69 ? 57.208 -3.642 -2.439 1.00 25.66 ? 147 GLY C CA 1 ATOM 3388 C C . GLY C 1 69 ? 56.613 -4.988 -2.771 1.00 25.61 ? 147 GLY C C 1 ATOM 3389 O O . GLY C 1 69 ? 55.929 -5.592 -1.947 1.00 25.75 ? 147 GLY C O 1 ATOM 3390 N N . VAL C 1 70 ? 56.849 -5.435 -3.995 1.00 25.83 ? 148 VAL C N 1 ATOM 3391 C CA . VAL C 1 70 ? 56.418 -6.753 -4.455 1.00 26.05 ? 148 VAL C CA 1 ATOM 3392 C C . VAL C 1 70 ? 57.652 -7.488 -4.966 1.00 25.98 ? 148 VAL C C 1 ATOM 3393 O O . VAL C 1 70 ? 58.458 -6.928 -5.712 1.00 26.32 ? 148 VAL C O 1 ATOM 3394 C CB . VAL C 1 70 ? 55.302 -6.689 -5.562 1.00 25.94 ? 148 VAL C CB 1 ATOM 3395 C CG1 . VAL C 1 70 ? 55.076 -8.059 -6.223 1.00 25.75 ? 148 VAL C CG1 1 ATOM 3396 C CG2 . VAL C 1 70 ? 53.974 -6.176 -4.992 1.00 25.99 ? 148 VAL C CG2 1 ATOM 3397 N N . VAL C 1 71 ? 57.821 -8.723 -4.507 1.00 26.10 ? 149 VAL C N 1 ATOM 3398 C CA . VAL C 1 71 ? 58.787 -9.633 -5.100 1.00 26.02 ? 149 VAL C CA 1 ATOM 3399 C C . VAL C 1 71 ? 58.000 -10.798 -5.699 1.00 26.05 ? 149 VAL C C 1 ATOM 3400 O O . VAL C 1 71 ? 57.049 -11.305 -5.081 1.00 25.51 ? 149 VAL C O 1 ATOM 3401 C CB . VAL C 1 71 ? 59.910 -10.099 -4.095 1.00 26.12 ? 149 VAL C CB 1 ATOM 3402 C CG1 . VAL C 1 71 ? 59.333 -10.804 -2.865 1.00 26.96 ? 149 VAL C CG1 1 ATOM 3403 C CG2 . VAL C 1 71 ? 60.933 -11.009 -4.792 1.00 26.27 ? 149 VAL C CG2 1 ATOM 3404 N N . PHE C 1 72 ? 58.371 -11.193 -6.916 1.00 25.89 ? 150 PHE C N 1 ATOM 3405 C CA . PHE C 1 72 ? 57.737 -12.341 -7.559 1.00 25.83 ? 150 PHE C CA 1 ATOM 3406 C C . PHE C 1 72 ? 58.751 -13.200 -8.314 1.00 25.65 ? 150 PHE C C 1 ATOM 3407 O O . PHE C 1 72 ? 59.855 -12.751 -8.607 1.00 24.91 ? 150 PHE C O 1 ATOM 3408 C CB . PHE C 1 72 ? 56.541 -11.925 -8.450 1.00 26.25 ? 150 PHE C CB 1 ATOM 3409 C CG . PHE C 1 72 ? 56.913 -11.115 -9.672 1.00 26.71 ? 150 PHE C CG 1 ATOM 3410 C CD1 . PHE C 1 72 ? 57.133 -11.738 -10.901 1.00 26.69 ? 150 PHE C CD1 1 ATOM 3411 C CD2 . PHE C 1 72 ? 57.014 -9.726 -9.601 1.00 26.66 ? 150 PHE C CD2 1 ATOM 3412 C CE1 . PHE C 1 72 ? 57.462 -10.990 -12.041 1.00 26.88 ? 150 PHE C CE1 1 ATOM 3413 C CE2 . PHE C 1 72 ? 57.345 -8.970 -10.730 1.00 26.80 ? 150 PHE C CE2 1 ATOM 3414 C CZ . PHE C 1 72 ? 57.561 -9.604 -11.956 1.00 26.55 ? 150 PHE C CZ 1 ATOM 3415 N N . ASN C 1 73 ? 58.359 -14.438 -8.599 1.00 25.60 ? 151 ASN C N 1 ATOM 3416 C CA . ASN C 1 73 ? 59.188 -15.394 -9.319 1.00 26.34 ? 151 ASN C CA 1 ATOM 3417 C C . ASN C 1 73 ? 58.239 -16.248 -10.131 1.00 26.71 ? 151 ASN C C 1 ATOM 3418 O O . ASN C 1 73 ? 57.332 -16.861 -9.577 1.00 26.76 ? 151 ASN C O 1 ATOM 3419 C CB . ASN C 1 73 ? 59.987 -16.270 -8.343 1.00 25.89 ? 151 ASN C CB 1 ATOM 3420 C CG . ASN C 1 73 ? 61.023 -17.152 -9.040 1.00 26.60 ? 151 ASN C CG 1 ATOM 3421 O OD1 . ASN C 1 73 ? 60.700 -17.951 -9.925 1.00 27.34 ? 151 ASN C OD1 1 ATOM 3422 N ND2 . ASN C 1 73 ? 62.271 -17.024 -8.622 1.00 25.02 ? 151 ASN C ND2 1 ATOM 3423 N N . ILE C 1 74 ? 58.426 -16.247 -11.445 1.00 27.10 ? 152 ILE C N 1 ATOM 3424 C CA . ILE C 1 74 ? 57.584 -17.047 -12.337 1.00 28.03 ? 152 ILE C CA 1 ATOM 3425 C C . ILE C 1 74 ? 58.405 -18.091 -13.112 1.00 28.22 ? 152 ILE C C 1 ATOM 3426 O O . ILE C 1 74 ? 58.007 -18.559 -14.184 1.00 28.44 ? 152 ILE C O 1 ATOM 3427 C CB . ILE C 1 74 ? 56.715 -16.163 -13.266 1.00 27.88 ? 152 ILE C CB 1 ATOM 3428 C CG1 . ILE C 1 74 ? 57.578 -15.140 -14.021 1.00 27.39 ? 152 ILE C CG1 1 ATOM 3429 C CG2 . ILE C 1 74 ? 55.589 -15.509 -12.462 1.00 27.99 ? 152 ILE C CG2 1 ATOM 3430 C CD1 . ILE C 1 74 ? 56.779 -14.173 -14.868 1.00 28.67 ? 152 ILE C CD1 1 ATOM 3431 N N . GLY C 1 75 ? 59.549 -18.450 -12.540 1.00 28.72 ? 153 GLY C N 1 ATOM 3432 C CA . GLY C 1 75 ? 60.338 -19.583 -13.004 1.00 29.66 ? 153 GLY C CA 1 ATOM 3433 C C . GLY C 1 75 ? 61.743 -19.273 -13.473 1.00 30.33 ? 153 GLY C C 1 ATOM 3434 O O . GLY C 1 75 ? 62.514 -20.190 -13.760 1.00 30.70 ? 153 GLY C O 1 ATOM 3435 N N . THR C 1 76 ? 62.077 -17.988 -13.571 1.00 30.93 ? 154 THR C N 1 ATOM 3436 C CA . THR C 1 76 ? 63.415 -17.569 -13.989 1.00 31.47 ? 154 THR C CA 1 ATOM 3437 C C . THR C 1 76 ? 64.248 -17.122 -12.788 1.00 31.60 ? 154 THR C C 1 ATOM 3438 O O . THR C 1 76 ? 65.247 -17.751 -12.446 1.00 31.92 ? 154 THR C O 1 ATOM 3439 C CB . THR C 1 76 ? 63.365 -16.434 -15.047 1.00 31.53 ? 154 THR C CB 1 ATOM 3440 O OG1 . THR C 1 76 ? 62.634 -16.876 -16.200 1.00 32.30 ? 154 THR C OG1 1 ATOM 3441 C CG2 . THR C 1 76 ? 64.773 -16.034 -15.486 1.00 31.86 ? 154 THR C CG2 1 ATOM 3442 N N . VAL C 1 77 ? 63.821 -16.030 -12.162 1.00 31.41 ? 155 VAL C N 1 ATOM 3443 C CA . VAL C 1 77 ? 64.556 -15.386 -11.077 1.00 31.26 ? 155 VAL C CA 1 ATOM 3444 C C . VAL C 1 77 ? 63.566 -14.526 -10.286 1.00 30.98 ? 155 VAL C C 1 ATOM 3445 O O . VAL C 1 77 ? 62.522 -14.143 -10.820 1.00 30.86 ? 155 VAL C O 1 ATOM 3446 C CB . VAL C 1 77 ? 65.740 -14.520 -11.627 1.00 31.40 ? 155 VAL C CB 1 ATOM 3447 C CG1 . VAL C 1 77 ? 65.235 -13.264 -12.368 1.00 30.89 ? 155 VAL C CG1 1 ATOM 3448 C CG2 . VAL C 1 77 ? 66.725 -14.156 -10.514 1.00 31.65 ? 155 VAL C CG2 1 ATOM 3449 N N . ASP C 1 78 ? 63.878 -14.257 -9.018 1.00 30.56 ? 156 ASP C N 1 ATOM 3450 C CA . ASP C 1 78 ? 63.113 -13.306 -8.217 1.00 30.59 ? 156 ASP C CA 1 ATOM 3451 C C . ASP C 1 78 ? 63.191 -11.923 -8.847 1.00 29.94 ? 156 ASP C C 1 ATOM 3452 O O . ASP C 1 78 ? 64.280 -11.440 -9.159 1.00 29.81 ? 156 ASP C O 1 ATOM 3453 C CB . ASP C 1 78 ? 63.645 -13.239 -6.787 1.00 31.11 ? 156 ASP C CB 1 ATOM 3454 C CG . ASP C 1 78 ? 63.203 -14.413 -5.934 1.00 32.04 ? 156 ASP C CG 1 ATOM 3455 O OD1 . ASP C 1 78 ? 62.677 -15.403 -6.472 1.00 33.89 ? 156 ASP C OD1 1 ATOM 3456 O OD2 . ASP C 1 78 ? 63.384 -14.341 -4.703 1.00 35.49 ? 156 ASP C OD2 1 ATOM 3457 N N . ILE C 1 79 ? 62.031 -11.301 -9.039 1.00 29.19 ? 157 ILE C N 1 ATOM 3458 C CA . ILE C 1 79 ? 61.952 -9.953 -9.597 1.00 28.66 ? 157 ILE C CA 1 ATOM 3459 C C . ILE C 1 79 ? 61.311 -9.045 -8.552 1.00 28.54 ? 157 ILE C C 1 ATOM 3460 O O . ILE C 1 79 ? 60.216 -9.329 -8.073 1.00 27.98 ? 157 ILE C O 1 ATOM 3461 C CB . ILE C 1 79 ? 61.162 -9.926 -10.933 1.00 28.55 ? 157 ILE C CB 1 ATOM 3462 C CG1 . ILE C 1 79 ? 61.897 -10.749 -12.005 1.00 28.01 ? 157 ILE C CG1 1 ATOM 3463 C CG2 . ILE C 1 79 ? 60.968 -8.490 -11.415 1.00 28.69 ? 157 ILE C CG2 1 ATOM 3464 C CD1 . ILE C 1 79 ? 61.034 -11.134 -13.188 1.00 28.22 ? 157 ILE C CD1 1 ATOM 3465 N N . SER C 1 80 ? 62.012 -7.962 -8.211 1.00 28.28 ? 158 SER C N 1 ATOM 3466 C CA A SER C 1 80 ? 61.580 -7.061 -7.149 0.39 28.30 ? 158 SER C CA 1 ATOM 3467 C CA B SER C 1 80 ? 61.584 -7.061 -7.146 0.61 28.50 ? 158 SER C CA 1 ATOM 3468 C C . SER C 1 80 ? 61.285 -5.643 -7.634 1.00 28.34 ? 158 SER C C 1 ATOM 3469 O O . SER C 1 80 ? 61.994 -5.095 -8.492 1.00 27.71 ? 158 SER C O 1 ATOM 3470 C CB A SER C 1 80 ? 62.631 -7.022 -6.037 0.39 28.46 ? 158 SER C CB 1 ATOM 3471 C CB B SER C 1 80 ? 62.645 -7.012 -6.041 0.61 28.75 ? 158 SER C CB 1 ATOM 3472 O OG A SER C 1 80 ? 62.760 -8.290 -5.421 0.39 28.42 ? 158 SER C OG 1 ATOM 3473 O OG B SER C 1 80 ? 62.257 -6.128 -5.002 0.61 29.78 ? 158 SER C OG 1 ATOM 3474 N N . ILE C 1 81 ? 60.233 -5.055 -7.073 1.00 28.39 ? 159 ILE C N 1 ATOM 3475 C CA . ILE C 1 81 ? 59.888 -3.657 -7.320 1.00 28.60 ? 159 ILE C CA 1 ATOM 3476 C C . ILE C 1 81 ? 59.416 -3.024 -6.001 1.00 28.82 ? 159 ILE C C 1 ATOM 3477 O O . ILE C 1 81 ? 58.599 -3.597 -5.277 1.00 28.89 ? 159 ILE C O 1 ATOM 3478 C CB . ILE C 1 81 ? 58.860 -3.491 -8.483 1.00 28.59 ? 159 ILE C CB 1 ATOM 3479 C CG1 . ILE C 1 81 ? 58.647 -2.002 -8.805 1.00 28.86 ? 159 ILE C CG1 1 ATOM 3480 C CG2 . ILE C 1 81 ? 57.536 -4.220 -8.182 1.00 28.95 ? 159 ILE C CG2 1 ATOM 3481 C CD1 . ILE C 1 81 ? 57.737 -1.736 -9.982 1.00 28.62 ? 159 ILE C CD1 1 ATOM 3482 N N . LYS C 1 82 ? 59.949 -1.851 -5.684 1.00 28.74 ? 160 LYS C N 1 ATOM 3483 C CA . LYS C 1 82 ? 59.758 -1.275 -4.367 1.00 29.21 ? 160 LYS C CA 1 ATOM 3484 C C . LYS C 1 82 ? 59.476 0.219 -4.442 1.00 28.53 ? 160 LYS C C 1 ATOM 3485 O O . LYS C 1 82 ? 60.022 0.929 -5.295 1.00 28.13 ? 160 LYS C O 1 ATOM 3486 C CB . LYS C 1 82 ? 61.003 -1.551 -3.509 1.00 29.39 ? 160 LYS C CB 1 ATOM 3487 C CG . LYS C 1 82 ? 60.800 -1.382 -2.008 1.00 31.39 ? 160 LYS C CG 1 ATOM 3488 C CD . LYS C 1 82 ? 62.006 -1.864 -1.200 1.00 31.66 ? 160 LYS C CD 1 ATOM 3489 C CE . LYS C 1 82 ? 62.077 -3.384 -1.142 1.00 35.33 ? 160 LYS C CE 1 ATOM 3490 N NZ . LYS C 1 82 ? 63.194 -3.841 -0.265 1.00 36.72 ? 160 LYS C NZ 1 ATOM 3491 N N . GLU C 1 83 ? 58.613 0.696 -3.550 1.00 27.96 ? 161 GLU C N 1 ATOM 3492 C CA . GLU C 1 83 ? 58.492 2.133 -3.316 1.00 27.76 ? 161 GLU C CA 1 ATOM 3493 C C . GLU C 1 83 ? 59.628 2.510 -2.360 1.00 27.84 ? 161 GLU C C 1 ATOM 3494 O O . GLU C 1 83 ? 59.476 2.441 -1.129 1.00 27.14 ? 161 GLU C O 1 ATOM 3495 C CB . GLU C 1 83 ? 57.101 2.484 -2.763 1.00 27.63 ? 161 GLU C CB 1 ATOM 3496 C CG . GLU C 1 83 ? 56.938 3.942 -2.295 1.00 27.37 ? 161 GLU C CG 1 ATOM 3497 C CD . GLU C 1 83 ? 57.423 4.943 -3.314 1.00 27.73 ? 161 GLU C CD 1 ATOM 3498 O OE1 . GLU C 1 83 ? 56.887 4.973 -4.440 1.00 27.46 ? 161 GLU C OE1 1 ATOM 3499 O OE2 . GLU C 1 83 ? 58.356 5.699 -2.988 1.00 29.26 ? 161 GLU C OE2 1 ATOM 3500 N N . GLU C 1 84 ? 60.759 2.893 -2.957 1.00 28.29 ? 162 GLU C N 1 ATOM 3501 C CA A GLU C 1 84 ? 62.015 3.109 -2.229 0.48 28.91 ? 162 GLU C CA 1 ATOM 3502 C CA B GLU C 1 84 ? 62.016 3.110 -2.234 0.52 28.81 ? 162 GLU C CA 1 ATOM 3503 C C . GLU C 1 84 ? 62.135 4.477 -1.563 1.00 29.07 ? 162 GLU C C 1 ATOM 3504 O O . GLU C 1 84 ? 62.929 4.651 -0.634 1.00 29.04 ? 162 GLU C O 1 ATOM 3505 C CB A GLU C 1 84 ? 63.220 2.907 -3.159 0.48 28.97 ? 162 GLU C CB 1 ATOM 3506 C CB B GLU C 1 84 ? 63.209 2.923 -3.181 0.52 29.00 ? 162 GLU C CB 1 ATOM 3507 C CG A GLU C 1 84 ? 63.470 1.460 -3.579 0.48 29.51 ? 162 GLU C CG 1 ATOM 3508 C CG B GLU C 1 84 ? 63.352 1.521 -3.778 0.52 29.73 ? 162 GLU C CG 1 ATOM 3509 C CD A GLU C 1 84 ? 64.870 1.222 -4.138 0.48 29.62 ? 162 GLU C CD 1 ATOM 3510 C CD B GLU C 1 84 ? 64.065 0.533 -2.860 0.52 30.77 ? 162 GLU C CD 1 ATOM 3511 O OE1 A GLU C 1 84 ? 65.505 2.174 -4.645 0.48 30.52 ? 162 GLU C OE1 1 ATOM 3512 O OE1 B GLU C 1 84 ? 64.331 0.865 -1.682 0.52 31.78 ? 162 GLU C OE1 1 ATOM 3513 O OE2 A GLU C 1 84 ? 65.337 0.064 -4.077 0.48 31.32 ? 162 GLU C OE2 1 ATOM 3514 O OE2 B GLU C 1 84 ? 64.363 -0.590 -3.326 0.52 30.85 ? 162 GLU C OE2 1 ATOM 3515 N N . ARG C 1 85 ? 61.363 5.451 -2.033 1.00 29.27 ? 163 ARG C N 1 ATOM 3516 C CA . ARG C 1 85 ? 61.592 6.831 -1.605 1.00 30.05 ? 163 ARG C CA 1 ATOM 3517 C C . ARG C 1 85 ? 60.952 7.208 -0.278 1.00 29.51 ? 163 ARG C C 1 ATOM 3518 O O . ARG C 1 85 ? 61.534 7.966 0.498 1.00 29.71 ? 163 ARG C O 1 ATOM 3519 C CB . ARG C 1 85 ? 61.171 7.827 -2.689 1.00 30.45 ? 163 ARG C CB 1 ATOM 3520 C CG . ARG C 1 85 ? 61.970 9.128 -2.641 1.00 33.37 ? 163 ARG C CG 1 ATOM 3521 C CD . ARG C 1 85 ? 61.094 10.336 -2.910 1.00 36.82 ? 163 ARG C CD 1 ATOM 3522 N NE . ARG C 1 85 ? 61.873 11.573 -2.868 1.00 39.53 ? 163 ARG C NE 1 ATOM 3523 C CZ . ARG C 1 85 ? 61.389 12.762 -2.511 1.00 41.60 ? 163 ARG C CZ 1 ATOM 3524 N NH1 . ARG C 1 85 ? 60.116 12.891 -2.146 1.00 42.32 ? 163 ARG C NH1 1 ATOM 3525 N NH2 . ARG C 1 85 ? 62.184 13.829 -2.507 1.00 41.85 ? 163 ARG C NH2 1 ATOM 3526 N N . THR C 1 86 ? 59.760 6.675 -0.034 1.00 29.03 ? 164 THR C N 1 ATOM 3527 C CA . THR C 1 86 ? 58.944 7.076 1.096 1.00 28.78 ? 164 THR C CA 1 ATOM 3528 C C . THR C 1 86 ? 58.366 5.842 1.796 1.00 28.30 ? 164 THR C C 1 ATOM 3529 O O . THR C 1 86 ? 57.750 4.994 1.151 1.00 28.04 ? 164 THR C O 1 ATOM 3530 C CB . THR C 1 86 ? 57.805 8.017 0.633 1.00 28.87 ? 164 THR C CB 1 ATOM 3531 O OG1 . THR C 1 86 ? 58.349 9.040 -0.214 1.00 28.55 ? 164 THR C OG1 1 ATOM 3532 C CG2 . THR C 1 86 ? 57.098 8.661 1.824 1.00 29.18 ? 164 THR C CG2 1 ATOM 3533 N N . PRO C 1 87 ? 58.573 5.741 3.121 1.00 27.82 ? 165 PRO C N 1 ATOM 3534 C CA . PRO C 1 87 ? 58.038 4.614 3.881 1.00 27.36 ? 165 PRO C CA 1 ATOM 3535 C C . PRO C 1 87 ? 56.520 4.724 4.018 1.00 26.66 ? 165 PRO C C 1 ATOM 3536 O O . PRO C 1 87 ? 55.976 5.827 3.952 1.00 26.51 ? 165 PRO C O 1 ATOM 3537 C CB . PRO C 1 87 ? 58.709 4.748 5.258 1.00 27.18 ? 165 PRO C CB 1 ATOM 3538 C CG . PRO C 1 87 ? 59.720 5.875 5.131 1.00 28.18 ? 165 PRO C CG 1 ATOM 3539 C CD . PRO C 1 87 ? 59.304 6.700 3.973 1.00 27.99 ? 165 PRO C CD 1 ATOM 3540 N N . VAL C 1 88 ? 55.840 3.593 4.185 1.00 26.09 ? 166 VAL C N 1 ATOM 3541 C CA . VAL C 1 88 ? 54.375 3.607 4.278 1.00 25.71 ? 166 VAL C CA 1 ATOM 3542 C C . VAL C 1 88 ? 53.867 3.166 5.648 1.00 26.22 ? 166 VAL C C 1 ATOM 3543 O O . VAL C 1 88 ? 52.656 3.088 5.871 1.00 26.87 ? 166 VAL C O 1 ATOM 3544 C CB . VAL C 1 88 ? 53.700 2.748 3.177 1.00 25.58 ? 166 VAL C CB 1 ATOM 3545 C CG1 . VAL C 1 88 ? 53.963 3.335 1.780 1.00 24.91 ? 166 VAL C CG1 1 ATOM 3546 C CG2 . VAL C 1 88 ? 54.138 1.298 3.280 1.00 23.94 ? 166 VAL C CG2 1 ATOM 3547 N N . ASN C 1 89 ? 54.792 2.873 6.556 1.00 26.21 ? 167 ASN C N 1 ATOM 3548 C CA . ASN C 1 89 ? 54.439 2.397 7.887 1.00 26.27 ? 167 ASN C CA 1 ATOM 3549 C C . ASN C 1 89 ? 54.206 3.542 8.876 1.00 26.44 ? 167 ASN C C 1 ATOM 3550 O O . ASN C 1 89 ? 54.637 3.489 10.033 1.00 26.36 ? 167 ASN C O 1 ATOM 3551 C CB . ASN C 1 89 ? 55.479 1.389 8.399 1.00 25.98 ? 167 ASN C CB 1 ATOM 3552 C CG . ASN C 1 89 ? 56.841 2.020 8.675 1.00 26.11 ? 167 ASN C CG 1 ATOM 3553 O OD1 . ASN C 1 89 ? 57.214 3.032 8.084 1.00 24.72 ? 167 ASN C OD1 1 ATOM 3554 N ND2 . ASN C 1 89 ? 57.588 1.407 9.574 1.00 23.96 ? 167 ASN C ND2 1 ATOM 3555 N N . ASP C 1 90 ? 53.495 4.569 8.411 1.00 26.58 ? 168 ASP C N 1 ATOM 3556 C CA . ASP C 1 90 ? 53.258 5.777 9.200 1.00 26.67 ? 168 ASP C CA 1 ATOM 3557 C C . ASP C 1 90 ? 51.927 5.746 9.970 1.00 26.70 ? 168 ASP C C 1 ATOM 3558 O O . ASP C 1 90 ? 51.531 6.738 10.590 1.00 26.64 ? 168 ASP C O 1 ATOM 3559 C CB . ASP C 1 90 ? 53.367 7.033 8.315 1.00 26.91 ? 168 ASP C CB 1 ATOM 3560 C CG . ASP C 1 90 ? 52.411 7.017 7.116 1.00 27.77 ? 168 ASP C CG 1 ATOM 3561 O OD1 . ASP C 1 90 ? 51.622 6.059 6.953 1.00 28.73 ? 168 ASP C OD1 1 ATOM 3562 O OD2 . ASP C 1 90 ? 52.456 7.984 6.320 1.00 28.45 ? 168 ASP C OD2 1 ATOM 3563 N N . GLY C 1 91 ? 51.246 4.605 9.937 1.00 26.32 ? 169 GLY C N 1 ATOM 3564 C CA . GLY C 1 91 ? 49.944 4.469 10.595 1.00 26.90 ? 169 GLY C CA 1 ATOM 3565 C C . GLY C 1 91 ? 48.832 5.251 9.907 1.00 26.82 ? 169 GLY C C 1 ATOM 3566 O O . GLY C 1 91 ? 47.783 5.493 10.502 1.00 27.62 ? 169 GLY C O 1 ATOM 3567 N N . LYS C 1 92 ? 49.074 5.671 8.666 1.00 26.42 ? 170 LYS C N 1 ATOM 3568 C CA . LYS C 1 92 ? 48.064 6.334 7.848 1.00 26.20 ? 170 LYS C CA 1 ATOM 3569 C C . LYS C 1 92 ? 47.525 5.374 6.794 1.00 25.90 ? 170 LYS C C 1 ATOM 3570 O O . LYS C 1 92 ? 48.244 4.465 6.345 1.00 25.28 ? 170 LYS C O 1 ATOM 3571 C CB . LYS C 1 92 ? 48.635 7.590 7.188 1.00 26.23 ? 170 LYS C CB 1 ATOM 3572 C CG . LYS C 1 92 ? 48.832 8.753 8.149 1.00 27.79 ? 170 LYS C CG 1 ATOM 3573 C CD . LYS C 1 92 ? 49.537 9.915 7.469 1.00 30.53 ? 170 LYS C CD 1 ATOM 3574 C CE . LYS C 1 92 ? 49.939 10.980 8.472 1.00 32.89 ? 170 LYS C CE 1 ATOM 3575 N NZ . LYS C 1 92 ? 50.892 11.956 7.857 1.00 35.44 ? 170 LYS C NZ 1 ATOM 3576 N N . TYR C 1 93 ? 46.263 5.556 6.409 1.00 25.51 ? 171 TYR C N 1 ATOM 3577 C CA . TYR C 1 93 ? 45.685 4.732 5.343 1.00 26.08 ? 171 TYR C CA 1 ATOM 3578 C C . TYR C 1 93 ? 46.379 5.035 4.019 1.00 25.76 ? 171 TYR C C 1 ATOM 3579 O O . TYR C 1 93 ? 46.545 6.197 3.668 1.00 25.68 ? 171 TYR C O 1 ATOM 3580 C CB . TYR C 1 93 ? 44.173 4.961 5.203 1.00 26.67 ? 171 TYR C CB 1 ATOM 3581 C CG . TYR C 1 93 ? 43.515 4.102 4.130 1.00 27.95 ? 171 TYR C CG 1 ATOM 3582 C CD1 . TYR C 1 93 ? 43.249 2.749 4.359 1.00 28.39 ? 171 TYR C CD1 1 ATOM 3583 C CD2 . TYR C 1 93 ? 43.140 4.645 2.896 1.00 27.61 ? 171 TYR C CD2 1 ATOM 3584 C CE1 . TYR C 1 93 ? 42.640 1.961 3.386 1.00 28.69 ? 171 TYR C CE1 1 ATOM 3585 C CE2 . TYR C 1 93 ? 42.519 3.855 1.916 1.00 28.91 ? 171 TYR C CE2 1 ATOM 3586 C CZ . TYR C 1 93 ? 42.280 2.521 2.170 1.00 27.99 ? 171 TYR C CZ 1 ATOM 3587 O OH . TYR C 1 93 ? 41.664 1.724 1.223 1.00 31.13 ? 171 TYR C OH 1 ATOM 3588 N N . HIS C 1 94 ? 46.804 3.986 3.315 1.00 25.43 ? 172 HIS C N 1 ATOM 3589 C CA . HIS C 1 94 ? 47.334 4.104 1.949 1.00 25.50 ? 172 HIS C CA 1 ATOM 3590 C C . HIS C 1 94 ? 46.724 3.015 1.077 1.00 25.77 ? 172 HIS C C 1 ATOM 3591 O O . HIS C 1 94 ? 46.306 1.971 1.580 1.00 25.85 ? 172 HIS C O 1 ATOM 3592 C CB . HIS C 1 94 ? 48.848 3.888 1.909 1.00 24.97 ? 172 HIS C CB 1 ATOM 3593 C CG . HIS C 1 94 ? 49.629 4.782 2.820 1.00 24.94 ? 172 HIS C CG 1 ATOM 3594 N ND1 . HIS C 1 94 ? 49.895 6.104 2.523 1.00 25.17 ? 172 HIS C ND1 1 ATOM 3595 C CD2 . HIS C 1 94 ? 50.241 4.531 4.000 1.00 23.78 ? 172 HIS C CD2 1 ATOM 3596 C CE1 . HIS C 1 94 ? 50.617 6.635 3.494 1.00 23.98 ? 172 HIS C CE1 1 ATOM 3597 N NE2 . HIS C 1 94 ? 50.839 5.702 4.401 1.00 24.81 ? 172 HIS C NE2 1 ATOM 3598 N N . VAL C 1 95 ? 46.703 3.257 -0.231 1.00 25.76 ? 173 VAL C N 1 ATOM 3599 C CA . VAL C 1 95 ? 46.383 2.215 -1.195 1.00 26.43 ? 173 VAL C CA 1 ATOM 3600 C C . VAL C 1 95 ? 47.646 1.900 -1.987 1.00 26.47 ? 173 VAL C C 1 ATOM 3601 O O . VAL C 1 95 ? 48.349 2.812 -2.429 1.00 26.54 ? 173 VAL C O 1 ATOM 3602 C CB . VAL C 1 95 ? 45.246 2.628 -2.151 1.00 26.54 ? 173 VAL C CB 1 ATOM 3603 C CG1 . VAL C 1 95 ? 45.077 1.576 -3.277 1.00 27.55 ? 173 VAL C CG1 1 ATOM 3604 C CG2 . VAL C 1 95 ? 43.936 2.769 -1.377 1.00 26.79 ? 173 VAL C CG2 1 ATOM 3605 N N . VAL C 1 96 ? 47.940 0.614 -2.140 1.00 25.62 ? 174 VAL C N 1 ATOM 3606 C CA . VAL C 1 96 ? 49.056 0.192 -2.983 1.00 26.08 ? 174 VAL C CA 1 ATOM 3607 C C . VAL C 1 96 ? 48.485 -0.570 -4.183 1.00 26.24 ? 174 VAL C C 1 ATOM 3608 O O . VAL C 1 96 ? 47.576 -1.388 -4.012 1.00 25.48 ? 174 VAL C O 1 ATOM 3609 C CB . VAL C 1 96 ? 50.114 -0.627 -2.179 1.00 25.68 ? 174 VAL C CB 1 ATOM 3610 C CG1 . VAL C 1 96 ? 49.508 -1.889 -1.559 1.00 25.00 ? 174 VAL C CG1 1 ATOM 3611 C CG2 . VAL C 1 96 ? 51.333 -0.962 -3.045 1.00 26.00 ? 174 VAL C CG2 1 ATOM 3612 N N . ARG C 1 97 ? 48.976 -0.241 -5.384 1.00 26.68 ? 175 ARG C N 1 ATOM 3613 C CA A ARG C 1 97 ? 48.540 -0.918 -6.606 0.53 26.90 ? 175 ARG C CA 1 ATOM 3614 C CA B ARG C 1 97 ? 48.535 -0.875 -6.634 0.47 26.86 ? 175 ARG C CA 1 ATOM 3615 C C . ARG C 1 97 ? 49.727 -1.493 -7.345 1.00 26.93 ? 175 ARG C C 1 ATOM 3616 O O . ARG C 1 97 ? 50.744 -0.827 -7.533 1.00 26.88 ? 175 ARG C O 1 ATOM 3617 C CB A ARG C 1 97 ? 47.796 0.033 -7.539 0.53 27.01 ? 175 ARG C CB 1 ATOM 3618 C CB B ARG C 1 97 ? 47.901 0.147 -7.592 0.47 26.94 ? 175 ARG C CB 1 ATOM 3619 C CG A ARG C 1 97 ? 46.451 0.490 -7.035 0.53 27.68 ? 175 ARG C CG 1 ATOM 3620 C CG B ARG C 1 97 ? 47.155 1.299 -6.940 0.47 27.56 ? 175 ARG C CG 1 ATOM 3621 C CD A ARG C 1 97 ? 46.001 1.736 -7.801 0.53 28.03 ? 175 ARG C CD 1 ATOM 3622 C CD B ARG C 1 97 ? 46.342 2.102 -7.959 0.47 26.76 ? 175 ARG C CD 1 ATOM 3623 N NE A ARG C 1 97 ? 45.341 2.651 -6.881 0.53 29.56 ? 175 ARG C NE 1 ATOM 3624 N NE B ARG C 1 97 ? 45.113 2.585 -7.333 0.47 28.47 ? 175 ARG C NE 1 ATOM 3625 C CZ A ARG C 1 97 ? 45.925 3.685 -6.295 0.53 28.48 ? 175 ARG C CZ 1 ATOM 3626 C CZ B ARG C 1 97 ? 43.940 1.950 -7.376 0.47 26.92 ? 175 ARG C CZ 1 ATOM 3627 N NH1 A ARG C 1 97 ? 47.196 3.988 -6.549 0.53 27.53 ? 175 ARG C NH1 1 ATOM 3628 N NH1 B ARG C 1 97 ? 43.813 0.812 -8.045 0.47 26.27 ? 175 ARG C NH1 1 ATOM 3629 N NH2 A ARG C 1 97 ? 45.221 4.428 -5.460 0.53 30.10 ? 175 ARG C NH2 1 ATOM 3630 N NH2 B ARG C 1 97 ? 42.887 2.464 -6.753 0.47 26.54 ? 175 ARG C NH2 1 ATOM 3631 N N . PHE C 1 98 ? 49.576 -2.740 -7.771 1.00 26.60 ? 176 PHE C N 1 ATOM 3632 C CA . PHE C 1 98 ? 50.614 -3.457 -8.492 1.00 26.45 ? 176 PHE C CA 1 ATOM 3633 C C . PHE C 1 98 ? 50.043 -4.045 -9.779 1.00 26.53 ? 176 PHE C C 1 ATOM 3634 O O . PHE C 1 98 ? 48.909 -4.537 -9.793 1.00 26.50 ? 176 PHE C O 1 ATOM 3635 C CB . PHE C 1 98 ? 51.189 -4.578 -7.604 1.00 26.06 ? 176 PHE C CB 1 ATOM 3636 C CG . PHE C 1 98 ? 52.126 -5.518 -8.322 1.00 25.97 ? 176 PHE C CG 1 ATOM 3637 C CD1 . PHE C 1 98 ? 53.469 -5.198 -8.478 1.00 24.38 ? 176 PHE C CD1 1 ATOM 3638 C CD2 . PHE C 1 98 ? 51.666 -6.735 -8.830 1.00 26.50 ? 176 PHE C CD2 1 ATOM 3639 C CE1 . PHE C 1 98 ? 54.344 -6.061 -9.143 1.00 25.01 ? 176 PHE C CE1 1 ATOM 3640 C CE2 . PHE C 1 98 ? 52.538 -7.611 -9.483 1.00 25.42 ? 176 PHE C CE2 1 ATOM 3641 C CZ . PHE C 1 98 ? 53.874 -7.276 -9.643 1.00 25.25 ? 176 PHE C CZ 1 ATOM 3642 N N . THR C 1 99 ? 50.825 -3.980 -10.858 1.00 26.30 ? 177 THR C N 1 ATOM 3643 C CA . THR C 1 99 ? 50.536 -4.753 -12.063 1.00 26.46 ? 177 THR C CA 1 ATOM 3644 C C . THR C 1 99 ? 51.786 -5.511 -12.495 1.00 26.48 ? 177 THR C C 1 ATOM 3645 O O . THR C 1 99 ? 52.912 -5.033 -12.325 1.00 26.05 ? 177 THR C O 1 ATOM 3646 C CB . THR C 1 99 ? 50.029 -3.911 -13.271 1.00 26.34 ? 177 THR C CB 1 ATOM 3647 O OG1 . THR C 1 99 ? 51.116 -3.183 -13.864 1.00 26.99 ? 177 THR C OG1 1 ATOM 3648 C CG2 . THR C 1 99 ? 48.904 -2.946 -12.878 1.00 26.92 ? 177 THR C CG2 1 ATOM 3649 N N . ARG C 1 100 ? 51.561 -6.701 -13.039 1.00 26.22 ? 178 ARG C N 1 ATOM 3650 C CA . ARG C 1 100 ? 52.599 -7.508 -13.660 1.00 25.92 ? 178 ARG C CA 1 ATOM 3651 C C . ARG C 1 100 ? 52.172 -7.811 -15.083 1.00 26.47 ? 178 ARG C C 1 ATOM 3652 O O . ARG C 1 100 ? 51.029 -8.193 -15.315 1.00 26.70 ? 178 ARG C O 1 ATOM 3653 C CB . ARG C 1 100 ? 52.791 -8.833 -12.906 1.00 25.68 ? 178 ARG C CB 1 ATOM 3654 C CG . ARG C 1 100 ? 53.899 -9.711 -13.501 1.00 24.62 ? 178 ARG C CG 1 ATOM 3655 C CD . ARG C 1 100 ? 53.930 -11.121 -12.921 1.00 25.39 ? 178 ARG C CD 1 ATOM 3656 N NE . ARG C 1 100 ? 52.735 -11.900 -13.256 1.00 25.34 ? 178 ARG C NE 1 ATOM 3657 C CZ . ARG C 1 100 ? 52.569 -12.613 -14.368 1.00 25.36 ? 178 ARG C CZ 1 ATOM 3658 N NH1 . ARG C 1 100 ? 53.517 -12.671 -15.297 1.00 25.15 ? 178 ARG C NH1 1 ATOM 3659 N NH2 . ARG C 1 100 ? 51.436 -13.277 -14.554 1.00 26.70 ? 178 ARG C NH2 1 ATOM 3660 N N . ASN C 1 101 ? 53.089 -7.627 -16.030 1.00 26.71 ? 179 ASN C N 1 ATOM 3661 C CA . ASN C 1 101 ? 52.893 -8.036 -17.414 1.00 27.32 ? 179 ASN C CA 1 ATOM 3662 C C . ASN C 1 101 ? 54.100 -8.836 -17.840 1.00 27.35 ? 179 ASN C C 1 ATOM 3663 O O . ASN C 1 101 ? 55.149 -8.265 -18.147 1.00 27.44 ? 179 ASN C O 1 ATOM 3664 C CB . ASN C 1 101 ? 52.728 -6.826 -18.328 1.00 27.66 ? 179 ASN C CB 1 ATOM 3665 C CG . ASN C 1 101 ? 51.335 -6.259 -18.281 1.00 30.31 ? 179 ASN C CG 1 ATOM 3666 O OD1 . ASN C 1 101 ? 50.448 -6.701 -19.018 1.00 33.96 ? 179 ASN C OD1 1 ATOM 3667 N ND2 . ASN C 1 101 ? 51.129 -5.264 -17.425 1.00 30.58 ? 179 ASN C ND2 1 ATOM 3668 N N . GLY C 1 102 ? 53.951 -10.159 -17.844 1.00 27.42 ? 180 GLY C N 1 ATOM 3669 C CA . GLY C 1 102 ? 55.086 -11.059 -18.024 1.00 27.43 ? 180 GLY C CA 1 ATOM 3670 C C . GLY C 1 102 ? 56.076 -10.831 -16.896 1.00 27.63 ? 180 GLY C C 1 ATOM 3671 O O . GLY C 1 102 ? 55.749 -11.026 -15.721 1.00 27.64 ? 180 GLY C O 1 ATOM 3672 N N . ALA C 1 103 ? 57.279 -10.389 -17.248 1.00 27.62 ? 181 ALA C N 1 ATOM 3673 C CA . ALA C 1 103 ? 58.297 -10.078 -16.244 1.00 27.98 ? 181 ALA C CA 1 ATOM 3674 C C . ALA C 1 103 ? 58.297 -8.598 -15.844 1.00 28.12 ? 181 ALA C C 1 ATOM 3675 O O . ALA C 1 103 ? 58.956 -8.220 -14.875 1.00 28.07 ? 181 ALA C O 1 ATOM 3676 C CB . ALA C 1 103 ? 59.682 -10.511 -16.729 1.00 27.97 ? 181 ALA C CB 1 ATOM 3677 N N . ASN C 1 104 ? 57.555 -7.767 -16.578 1.00 28.24 ? 182 ASN C N 1 ATOM 3678 C CA . ASN C 1 104 ? 57.466 -6.338 -16.253 1.00 28.43 ? 182 ASN C CA 1 ATOM 3679 C C . ASN C 1 104 ? 56.498 -6.077 -15.112 1.00 28.16 ? 182 ASN C C 1 ATOM 3680 O O . ASN C 1 104 ? 55.525 -6.825 -14.930 1.00 27.84 ? 182 ASN C O 1 ATOM 3681 C CB . ASN C 1 104 ? 57.061 -5.510 -17.471 1.00 29.12 ? 182 ASN C CB 1 ATOM 3682 C CG . ASN C 1 104 ? 57.878 -5.835 -18.704 1.00 31.35 ? 182 ASN C CG 1 ATOM 3683 O OD1 . ASN C 1 104 ? 59.093 -6.052 -18.628 1.00 31.11 ? 182 ASN C OD1 1 ATOM 3684 N ND2 . ASN C 1 104 ? 57.203 -5.873 -19.855 1.00 36.87 ? 182 ASN C ND2 1 ATOM 3685 N N . ALA C 1 105 ? 56.762 -5.008 -14.359 1.00 27.57 ? 183 ALA C N 1 ATOM 3686 C CA . ALA C 1 105 ? 55.974 -4.674 -13.173 1.00 27.62 ? 183 ALA C CA 1 ATOM 3687 C C . ALA C 1 105 ? 55.837 -3.169 -12.996 1.00 27.51 ? 183 ALA C C 1 ATOM 3688 O O . ALA C 1 105 ? 56.715 -2.403 -13.414 1.00 27.25 ? 183 ALA C O 1 ATOM 3689 C CB . ALA C 1 105 ? 56.611 -5.295 -11.913 1.00 27.36 ? 183 ALA C CB 1 ATOM 3690 N N . THR C 1 106 ? 54.722 -2.756 -12.398 1.00 27.13 ? 184 THR C N 1 ATOM 3691 C CA . THR C 1 106 ? 54.541 -1.378 -11.938 1.00 27.26 ? 184 THR C CA 1 ATOM 3692 C C . THR C 1 106 ? 54.037 -1.441 -10.507 1.00 26.77 ? 184 THR C C 1 ATOM 3693 O O . THR C 1 106 ? 53.393 -2.421 -10.115 1.00 26.72 ? 184 THR C O 1 ATOM 3694 C CB . THR C 1 106 ? 53.545 -0.545 -12.804 1.00 27.27 ? 184 THR C CB 1 ATOM 3695 O OG1 . THR C 1 106 ? 52.213 -1.045 -12.633 1.00 28.60 ? 184 THR C OG1 1 ATOM 3696 C CG2 . THR C 1 106 ? 53.922 -0.574 -14.278 1.00 27.47 ? 184 THR C CG2 1 ATOM 3697 N N . LEU C 1 107 ? 54.337 -0.400 -9.736 1.00 26.63 ? 185 LEU C N 1 ATOM 3698 C CA . LEU C 1 107 ? 53.928 -0.297 -8.338 1.00 26.56 ? 185 LEU C CA 1 ATOM 3699 C C . LEU C 1 107 ? 53.741 1.171 -7.963 1.00 26.38 ? 185 LEU C C 1 ATOM 3700 O O . LEU C 1 107 ? 54.651 1.995 -8.133 1.00 25.72 ? 185 LEU C O 1 ATOM 3701 C CB . LEU C 1 107 ? 54.969 -0.950 -7.408 1.00 26.95 ? 185 LEU C CB 1 ATOM 3702 C CG . LEU C 1 107 ? 54.714 -0.895 -5.892 1.00 28.94 ? 185 LEU C CG 1 ATOM 3703 C CD1 . LEU C 1 107 ? 53.827 -2.035 -5.435 1.00 30.07 ? 185 LEU C CD1 1 ATOM 3704 C CD2 . LEU C 1 107 ? 56.033 -0.964 -5.149 1.00 31.28 ? 185 LEU C CD2 1 ATOM 3705 N N . GLN C 1 108 ? 52.556 1.487 -7.458 1.00 25.77 ? 186 GLN C N 1 ATOM 3706 C CA . GLN C 1 108 ? 52.223 2.844 -7.030 1.00 25.83 ? 186 GLN C CA 1 ATOM 3707 C C . GLN C 1 108 ? 51.554 2.819 -5.664 1.00 25.63 ? 186 GLN C C 1 ATOM 3708 O O . GLN C 1 108 ? 50.714 1.957 -5.393 1.00 25.58 ? 186 GLN C O 1 ATOM 3709 C CB . GLN C 1 108 ? 51.282 3.521 -8.032 1.00 25.85 ? 186 GLN C CB 1 ATOM 3710 C CG . GLN C 1 108 ? 50.942 4.965 -7.652 1.00 25.56 ? 186 GLN C CG 1 ATOM 3711 C CD . GLN C 1 108 ? 49.903 5.579 -8.554 1.00 26.83 ? 186 GLN C CD 1 ATOM 3712 O OE1 . GLN C 1 108 ? 48.891 4.948 -8.875 1.00 26.45 ? 186 GLN C OE1 1 ATOM 3713 N NE2 . GLN C 1 108 ? 50.143 6.819 -8.969 1.00 23.34 ? 186 GLN C NE2 1 ATOM 3714 N N . VAL C 1 109 ? 51.955 3.753 -4.807 1.00 25.04 ? 187 VAL C N 1 ATOM 3715 C CA . VAL C 1 109 ? 51.279 3.983 -3.547 1.00 24.91 ? 187 VAL C CA 1 ATOM 3716 C C . VAL C 1 109 ? 50.534 5.309 -3.685 1.00 25.13 ? 187 VAL C C 1 ATOM 3717 O O . VAL C 1 109 ? 51.120 6.297 -4.126 1.00 24.79 ? 187 VAL C O 1 ATOM 3718 C CB . VAL C 1 109 ? 52.283 4.055 -2.385 1.00 24.89 ? 187 VAL C CB 1 ATOM 3719 C CG1 . VAL C 1 109 ? 51.602 4.535 -1.113 1.00 23.94 ? 187 VAL C CG1 1 ATOM 3720 C CG2 . VAL C 1 109 ? 52.916 2.686 -2.159 1.00 25.14 ? 187 VAL C CG2 1 ATOM 3721 N N . ASP C 1 110 ? 49.248 5.308 -3.328 1.00 24.95 ? 188 ASP C N 1 ATOM 3722 C CA . ASP C 1 110 ? 48.407 6.505 -3.357 1.00 25.08 ? 188 ASP C CA 1 ATOM 3723 C C . ASP C 1 110 ? 48.465 7.153 -4.748 1.00 24.80 ? 188 ASP C C 1 ATOM 3724 O O . ASP C 1 110 ? 48.235 6.475 -5.746 1.00 24.65 ? 188 ASP C O 1 ATOM 3725 C CB . ASP C 1 110 ? 48.780 7.460 -2.206 1.00 25.16 ? 188 ASP C CB 1 ATOM 3726 C CG . ASP C 1 110 ? 48.568 6.823 -0.821 1.00 26.55 ? 188 ASP C CG 1 ATOM 3727 O OD1 . ASP C 1 110 ? 47.772 5.864 -0.708 1.00 28.13 ? 188 ASP C OD1 1 ATOM 3728 O OD2 . ASP C 1 110 ? 49.192 7.275 0.156 1.00 27.19 ? 188 ASP C OD2 1 ATOM 3729 N N . ASN C 1 111 ? 48.794 8.437 -4.825 1.00 24.32 ? 189 ASN C N 1 ATOM 3730 C CA . ASN C 1 111 ? 48.971 9.089 -6.116 1.00 23.88 ? 189 ASN C CA 1 ATOM 3731 C C . ASN C 1 111 ? 50.457 9.411 -6.374 1.00 23.86 ? 189 ASN C C 1 ATOM 3732 O O . ASN C 1 111 ? 50.781 10.294 -7.167 1.00 22.93 ? 189 ASN C O 1 ATOM 3733 C CB . ASN C 1 111 ? 48.126 10.371 -6.174 1.00 23.99 ? 189 ASN C CB 1 ATOM 3734 C CG . ASN C 1 111 ? 48.643 11.451 -5.231 1.00 23.72 ? 189 ASN C CG 1 ATOM 3735 O OD1 . ASN C 1 111 ? 49.347 11.159 -4.263 1.00 25.26 ? 189 ASN C OD1 1 ATOM 3736 N ND2 . ASN C 1 111 ? 48.306 12.698 -5.515 1.00 25.16 ? 189 ASN C ND2 1 ATOM 3737 N N . TRP C 1 112 ? 51.356 8.692 -5.697 1.00 23.90 ? 190 TRP C N 1 ATOM 3738 C CA . TRP C 1 112 ? 52.788 9.003 -5.791 1.00 23.93 ? 190 TRP C CA 1 ATOM 3739 C C . TRP C 1 112 ? 53.313 8.619 -7.172 1.00 23.81 ? 190 TRP C C 1 ATOM 3740 O O . TRP C 1 112 ? 52.656 7.845 -7.881 1.00 23.96 ? 190 TRP C O 1 ATOM 3741 C CB . TRP C 1 112 ? 53.591 8.296 -4.681 1.00 23.87 ? 190 TRP C CB 1 ATOM 3742 C CG . TRP C 1 112 ? 53.119 8.579 -3.266 1.00 23.65 ? 190 TRP C CG 1 ATOM 3743 C CD1 . TRP C 1 112 ? 52.213 9.543 -2.853 1.00 24.07 ? 190 TRP C CD1 1 ATOM 3744 C CD2 . TRP C 1 112 ? 53.561 7.918 -2.080 1.00 23.67 ? 190 TRP C CD2 1 ATOM 3745 N NE1 . TRP C 1 112 ? 52.054 9.488 -1.484 1.00 23.49 ? 190 TRP C NE1 1 ATOM 3746 C CE2 . TRP C 1 112 ? 52.876 8.507 -0.986 1.00 24.03 ? 190 TRP C CE2 1 ATOM 3747 C CE3 . TRP C 1 112 ? 54.474 6.879 -1.831 1.00 24.18 ? 190 TRP C CE3 1 ATOM 3748 C CZ2 . TRP C 1 112 ? 53.077 8.088 0.334 1.00 24.52 ? 190 TRP C CZ2 1 ATOM 3749 C CZ3 . TRP C 1 112 ? 54.665 6.456 -0.515 1.00 24.19 ? 190 TRP C CZ3 1 ATOM 3750 C CH2 . TRP C 1 112 ? 53.972 7.066 0.549 1.00 24.33 ? 190 TRP C CH2 1 ATOM 3751 N N . PRO C 1 113 ? 54.480 9.165 -7.573 1.00 23.49 ? 191 PRO C N 1 ATOM 3752 C CA . PRO C 1 113 ? 55.072 8.730 -8.837 1.00 23.76 ? 191 PRO C CA 1 ATOM 3753 C C . PRO C 1 113 ? 55.131 7.213 -8.972 1.00 24.28 ? 191 PRO C C 1 ATOM 3754 O O . PRO C 1 113 ? 55.469 6.507 -8.008 1.00 24.48 ? 191 PRO C O 1 ATOM 3755 C CB . PRO C 1 113 ? 56.476 9.340 -8.785 1.00 23.81 ? 191 PRO C CB 1 ATOM 3756 C CG . PRO C 1 113 ? 56.290 10.582 -7.999 1.00 23.09 ? 191 PRO C CG 1 ATOM 3757 C CD . PRO C 1 113 ? 55.296 10.217 -6.930 1.00 23.29 ? 191 PRO C CD 1 ATOM 3758 N N . VAL C 1 114 ? 54.760 6.720 -10.151 1.00 24.75 ? 192 VAL C N 1 ATOM 3759 C CA . VAL C 1 114 ? 54.695 5.288 -10.417 1.00 25.76 ? 192 VAL C CA 1 ATOM 3760 C C . VAL C 1 114 ? 56.087 4.682 -10.526 1.00 26.17 ? 192 VAL C C 1 ATOM 3761 O O . VAL C 1 114 ? 56.963 5.235 -11.201 1.00 26.26 ? 192 VAL C O 1 ATOM 3762 C CB . VAL C 1 114 ? 53.908 4.976 -11.728 1.00 26.17 ? 192 VAL C CB 1 ATOM 3763 C CG1 . VAL C 1 114 ? 53.813 3.467 -11.970 1.00 25.74 ? 192 VAL C CG1 1 ATOM 3764 C CG2 . VAL C 1 114 ? 52.512 5.580 -11.668 1.00 26.99 ? 192 VAL C CG2 1 ATOM 3765 N N . ASN C 1 115 ? 56.283 3.547 -9.856 1.00 26.41 ? 193 ASN C N 1 ATOM 3766 C CA . ASN C 1 115 ? 57.493 2.748 -10.034 1.00 27.13 ? 193 ASN C CA 1 ATOM 3767 C C . ASN C 1 115 ? 57.287 1.758 -11.160 1.00 27.97 ? 193 ASN C C 1 ATOM 3768 O O . ASN C 1 115 ? 56.219 1.145 -11.266 1.00 27.77 ? 193 ASN C O 1 ATOM 3769 C CB . ASN C 1 115 ? 57.844 1.994 -8.758 1.00 26.80 ? 193 ASN C CB 1 ATOM 3770 C CG . ASN C 1 115 ? 58.022 2.911 -7.588 1.00 26.56 ? 193 ASN C CG 1 ATOM 3771 O OD1 . ASN C 1 115 ? 59.076 3.522 -7.426 1.00 26.50 ? 193 ASN C OD1 1 ATOM 3772 N ND2 . ASN C 1 115 ? 56.988 3.032 -6.770 1.00 25.43 ? 193 ASN C ND2 1 ATOM 3773 N N . GLU C 1 116 ? 58.313 1.611 -11.992 1.00 28.80 ? 194 GLU C N 1 ATOM 3774 C CA . GLU C 1 116 ? 58.282 0.700 -13.130 1.00 30.43 ? 194 GLU C CA 1 ATOM 3775 C C . GLU C 1 116 ? 59.549 -0.121 -13.170 1.00 30.77 ? 194 GLU C C 1 ATOM 3776 O O . GLU C 1 116 ? 60.636 0.393 -12.910 1.00 31.16 ? 194 GLU C O 1 ATOM 3777 C CB . GLU C 1 116 ? 58.174 1.482 -14.435 1.00 30.63 ? 194 GLU C CB 1 ATOM 3778 C CG . GLU C 1 116 ? 56.847 2.178 -14.643 1.00 32.90 ? 194 GLU C CG 1 ATOM 3779 C CD . GLU C 1 116 ? 56.903 3.201 -15.763 1.00 35.65 ? 194 GLU C CD 1 ATOM 3780 O OE1 . GLU C 1 116 ? 57.904 3.213 -16.519 1.00 35.37 ? 194 GLU C OE1 1 ATOM 3781 O OE2 . GLU C 1 116 ? 55.942 3.998 -15.873 1.00 37.54 ? 194 GLU C OE2 1 ATOM 3782 N N . HIS C 1 117 ? 59.412 -1.394 -13.506 1.00 31.47 ? 195 HIS C N 1 ATOM 3783 C CA . HIS C 1 117 ? 60.568 -2.256 -13.669 1.00 32.50 ? 195 HIS C CA 1 ATOM 3784 C C . HIS C 1 117 ? 60.421 -3.086 -14.938 1.00 32.89 ? 195 HIS C C 1 ATOM 3785 O O . HIS C 1 117 ? 59.375 -3.688 -15.184 1.00 32.66 ? 195 HIS C O 1 ATOM 3786 C CB . HIS C 1 117 ? 60.767 -3.136 -12.426 1.00 32.52 ? 195 HIS C CB 1 ATOM 3787 C CG . HIS C 1 117 ? 62.044 -3.919 -12.434 1.00 34.01 ? 195 HIS C CG 1 ATOM 3788 N ND1 . HIS C 1 117 ? 63.284 -3.323 -12.516 1.00 35.57 ? 195 HIS C ND1 1 ATOM 3789 C CD2 . HIS C 1 117 ? 62.272 -5.252 -12.358 1.00 35.31 ? 195 HIS C CD2 1 ATOM 3790 C CE1 . HIS C 1 117 ? 64.221 -4.255 -12.506 1.00 35.97 ? 195 HIS C CE1 1 ATOM 3791 N NE2 . HIS C 1 117 ? 63.634 -5.434 -12.410 1.00 36.06 ? 195 HIS C NE2 1 ATOM 3792 N N . TYR C 1 118 ? 61.469 -3.088 -15.754 1.00 33.64 ? 196 TYR C N 1 ATOM 3793 C CA . TYR C 1 118 ? 61.482 -3.859 -16.988 1.00 34.37 ? 196 TYR C CA 1 ATOM 3794 C C . TYR C 1 118 ? 62.746 -4.715 -17.023 1.00 34.82 ? 196 TYR C C 1 ATOM 3795 O O . TYR C 1 118 ? 63.764 -4.290 -17.572 1.00 35.00 ? 196 TYR C O 1 ATOM 3796 C CB . TYR C 1 118 ? 61.437 -2.935 -18.209 1.00 34.60 ? 196 TYR C CB 1 ATOM 3797 C CG . TYR C 1 118 ? 60.222 -2.037 -18.295 1.00 34.78 ? 196 TYR C CG 1 ATOM 3798 C CD1 . TYR C 1 118 ? 60.238 -0.758 -17.743 1.00 34.91 ? 196 TYR C CD1 1 ATOM 3799 C CD2 . TYR C 1 118 ? 59.066 -2.459 -18.951 1.00 34.63 ? 196 TYR C CD2 1 ATOM 3800 C CE1 . TYR C 1 118 ? 59.130 0.075 -17.828 1.00 35.24 ? 196 TYR C CE1 1 ATOM 3801 C CE2 . TYR C 1 118 ? 57.956 -1.635 -19.048 1.00 34.89 ? 196 TYR C CE2 1 ATOM 3802 C CZ . TYR C 1 118 ? 57.993 -0.370 -18.486 1.00 35.58 ? 196 TYR C CZ 1 ATOM 3803 O OH . TYR C 1 118 ? 56.893 0.452 -18.578 1.00 35.68 ? 196 TYR C OH 1 ATOM 3804 N N . PRO C 1 119 ? 62.691 -5.918 -16.419 1.00 35.25 ? 197 PRO C N 1 ATOM 3805 C CA . PRO C 1 119 ? 63.839 -6.817 -16.352 1.00 35.33 ? 197 PRO C CA 1 ATOM 3806 C C . PRO C 1 119 ? 64.445 -7.100 -17.717 1.00 35.85 ? 197 PRO C C 1 ATOM 3807 O O . PRO C 1 119 ? 63.743 -7.078 -18.733 1.00 36.04 ? 197 PRO C O 1 ATOM 3808 C CB . PRO C 1 119 ? 63.242 -8.104 -15.782 1.00 35.48 ? 197 PRO C CB 1 ATOM 3809 C CG . PRO C 1 119 ? 62.098 -7.659 -14.991 1.00 35.26 ? 197 PRO C CG 1 ATOM 3810 C CD . PRO C 1 119 ? 61.519 -6.495 -15.737 1.00 35.15 ? 197 PRO C CD 1 ATOM 3811 N N . THR C 1 120 ? 65.749 -7.354 -17.722 1.00 36.04 ? 198 THR C N 1 ATOM 3812 C CA . THR C 1 120 ? 66.484 -7.645 -18.939 1.00 36.46 ? 198 THR C CA 1 ATOM 3813 C C . THR C 1 120 ? 66.818 -9.139 -19.025 1.00 36.62 ? 198 THR C C 1 ATOM 3814 O O . THR C 1 120 ? 66.658 -9.881 -18.047 1.00 36.55 ? 198 THR C O 1 ATOM 3815 C CB . THR C 1 120 ? 67.761 -6.783 -19.026 1.00 36.33 ? 198 THR C CB 1 ATOM 3816 O OG1 . THR C 1 120 ? 68.368 -6.956 -20.310 1.00 37.28 ? 198 THR C OG1 1 ATOM 3817 C CG2 . THR C 1 120 ? 68.754 -7.154 -17.920 1.00 36.20 ? 198 THR C CG2 1 ATOM 3818 N N . GLY C 1 121 ? 67.271 -9.571 -20.199 1.00 36.85 ? 199 GLY C N 1 ATOM 3819 C CA . GLY C 1 121 ? 67.578 -10.978 -20.433 1.00 37.23 ? 199 GLY C CA 1 ATOM 3820 C C . GLY C 1 121 ? 66.334 -11.807 -20.704 1.00 37.59 ? 199 GLY C C 1 ATOM 3821 O O . GLY C 1 121 ? 65.219 -11.276 -20.773 1.00 37.60 ? 199 GLY C O 1 ATOM 3822 N N . ARG C 1 122 ? 66.533 -13.112 -20.860 1.00 37.80 ? 200 ARG C N 1 ATOM 3823 C CA . ARG C 1 122 ? 65.447 -14.040 -21.142 1.00 38.28 ? 200 ARG C CA 1 ATOM 3824 C C . ARG C 1 122 ? 64.561 -14.189 -19.905 1.00 37.90 ? 200 ARG C C 1 ATOM 3825 O O . ARG C 1 122 ? 65.051 -14.451 -18.800 1.00 38.05 ? 200 ARG C O 1 ATOM 3826 C CB . ARG C 1 122 ? 66.010 -15.392 -21.601 1.00 38.74 ? 200 ARG C CB 1 ATOM 3827 C CG . ARG C 1 122 ? 64.993 -16.336 -22.250 1.00 41.08 ? 200 ARG C CG 1 ATOM 3828 C CD . ARG C 1 122 ? 64.384 -17.305 -21.234 1.00 44.70 ? 200 ARG C CD 1 ATOM 3829 N NE . ARG C 1 122 ? 63.333 -18.132 -21.827 1.00 47.51 ? 200 ARG C NE 1 ATOM 3830 C CZ . ARG C 1 122 ? 62.906 -19.291 -21.327 1.00 48.73 ? 200 ARG C CZ 1 ATOM 3831 N NH1 . ARG C 1 122 ? 63.440 -19.789 -20.216 1.00 49.10 ? 200 ARG C NH1 1 ATOM 3832 N NH2 . ARG C 1 122 ? 61.944 -19.962 -21.951 1.00 49.61 ? 200 ARG C NH2 1 ATOM 3833 N N . GLN C 1 123 ? 63.257 -13.995 -20.100 1.00 37.26 ? 201 GLN C N 1 ATOM 3834 C CA . GLN C 1 123 ? 62.285 -14.029 -19.009 1.00 36.40 ? 201 GLN C CA 1 ATOM 3835 C C . GLN C 1 123 ? 61.057 -14.865 -19.361 1.00 35.65 ? 201 GLN C C 1 ATOM 3836 O O . GLN C 1 123 ? 60.496 -14.731 -20.453 1.00 35.62 ? 201 GLN C O 1 ATOM 3837 C CB . GLN C 1 123 ? 61.832 -12.607 -18.642 1.00 36.52 ? 201 GLN C CB 1 ATOM 3838 C CG . GLN C 1 123 ? 62.928 -11.671 -18.118 1.00 36.70 ? 201 GLN C CG 1 ATOM 3839 C CD . GLN C 1 123 ? 63.470 -12.075 -16.754 1.00 37.82 ? 201 GLN C CD 1 ATOM 3840 O OE1 . GLN C 1 123 ? 62.777 -12.710 -15.954 1.00 38.69 ? 201 GLN C OE1 1 ATOM 3841 N NE2 . GLN C 1 123 ? 64.719 -11.705 -16.482 1.00 38.28 ? 201 GLN C NE2 1 ATOM 3842 N N . LEU C 1 124 ? 60.648 -15.724 -18.429 1.00 34.69 ? 202 LEU C N 1 ATOM 3843 C CA . LEU C 1 124 ? 59.371 -16.422 -18.522 1.00 33.67 ? 202 LEU C CA 1 ATOM 3844 C C . LEU C 1 124 ? 58.258 -15.430 -18.196 1.00 33.11 ? 202 LEU C C 1 ATOM 3845 O O . LEU C 1 124 ? 58.508 -14.417 -17.527 1.00 33.19 ? 202 LEU C O 1 ATOM 3846 C CB . LEU C 1 124 ? 59.337 -17.621 -17.568 1.00 33.71 ? 202 LEU C CB 1 ATOM 3847 C CG . LEU C 1 124 ? 60.207 -18.833 -17.930 1.00 33.58 ? 202 LEU C CG 1 ATOM 3848 C CD1 . LEU C 1 124 ? 60.202 -19.852 -16.803 1.00 33.44 ? 202 LEU C CD1 1 ATOM 3849 C CD2 . LEU C 1 124 ? 59.768 -19.487 -19.249 1.00 33.48 ? 202 LEU C CD2 1 ATOM 3850 N N . THR C 1 125 ? 57.041 -15.708 -18.665 1.00 31.73 ? 203 THR C N 1 ATOM 3851 C CA . THR C 1 125 ? 55.954 -14.722 -18.600 1.00 31.02 ? 203 THR C CA 1 ATOM 3852 C C . THR C 1 125 ? 54.672 -15.168 -17.881 1.00 30.17 ? 203 THR C C 1 ATOM 3853 O O . THR C 1 125 ? 53.780 -14.355 -17.651 1.00 29.56 ? 203 THR C O 1 ATOM 3854 C CB . THR C 1 125 ? 55.570 -14.216 -20.008 1.00 30.94 ? 203 THR C CB 1 ATOM 3855 O OG1 . THR C 1 125 ? 55.238 -15.330 -20.844 1.00 31.14 ? 203 THR C OG1 1 ATOM 3856 C CG2 . THR C 1 125 ? 56.717 -13.429 -20.627 1.00 31.50 ? 203 THR C CG2 1 ATOM 3857 N N . ILE C 1 126 ? 54.584 -16.448 -17.531 1.00 29.55 ? 204 ILE C N 1 ATOM 3858 C CA . ILE C 1 126 ? 53.345 -17.009 -16.982 1.00 29.09 ? 204 ILE C CA 1 ATOM 3859 C C . ILE C 1 126 ? 53.470 -17.318 -15.496 1.00 28.40 ? 204 ILE C C 1 ATOM 3860 O O . ILE C 1 126 ? 54.413 -17.978 -15.082 1.00 28.29 ? 204 ILE C O 1 ATOM 3861 C CB . ILE C 1 126 ? 52.914 -18.298 -17.758 1.00 29.04 ? 204 ILE C CB 1 ATOM 3862 C CG1 . ILE C 1 126 ? 52.809 -18.022 -19.259 1.00 29.63 ? 204 ILE C CG1 1 ATOM 3863 C CG2 . ILE C 1 126 ? 51.601 -18.885 -17.200 1.00 29.09 ? 204 ILE C CG2 1 ATOM 3864 C CD1 . ILE C 1 126 ? 51.798 -16.959 -19.635 1.00 29.75 ? 204 ILE C CD1 1 ATOM 3865 N N . PHE C 1 127 ? 52.524 -16.813 -14.701 1.00 28.07 ? 205 PHE C N 1 ATOM 3866 C CA . PHE C 1 127 ? 52.364 -17.210 -13.299 1.00 27.89 ? 205 PHE C CA 1 ATOM 3867 C C . PHE C 1 127 ? 51.474 -18.466 -13.326 1.00 27.71 ? 205 PHE C C 1 ATOM 3868 O O . PHE C 1 127 ? 50.256 -18.365 -13.441 1.00 27.53 ? 205 PHE C O 1 ATOM 3869 C CB . PHE C 1 127 ? 51.749 -16.043 -12.488 1.00 27.26 ? 205 PHE C CB 1 ATOM 3870 C CG . PHE C 1 127 ? 51.760 -16.225 -10.975 1.00 27.52 ? 205 PHE C CG 1 ATOM 3871 C CD1 . PHE C 1 127 ? 52.452 -17.274 -10.354 1.00 26.93 ? 205 PHE C CD1 1 ATOM 3872 C CD2 . PHE C 1 127 ? 51.096 -15.295 -10.160 1.00 27.36 ? 205 PHE C CD2 1 ATOM 3873 C CE1 . PHE C 1 127 ? 52.444 -17.418 -8.963 1.00 26.10 ? 205 PHE C CE1 1 ATOM 3874 C CE2 . PHE C 1 127 ? 51.087 -15.427 -8.764 1.00 26.47 ? 205 PHE C CE2 1 ATOM 3875 C CZ . PHE C 1 127 ? 51.761 -16.489 -8.162 1.00 26.82 ? 205 PHE C CZ 1 ATOM 3876 N N . ASN C 1 128 ? 52.102 -19.640 -13.254 1.00 27.73 ? 206 ASN C N 1 ATOM 3877 C CA . ASN C 1 128 ? 51.431 -20.936 -13.473 1.00 27.81 ? 206 ASN C CA 1 ATOM 3878 C C . ASN C 1 128 ? 50.670 -21.458 -12.268 1.00 27.84 ? 206 ASN C C 1 ATOM 3879 O O . ASN C 1 128 ? 51.150 -21.346 -11.138 1.00 27.87 ? 206 ASN C O 1 ATOM 3880 C CB . ASN C 1 128 ? 52.460 -22.009 -13.846 1.00 28.64 ? 206 ASN C CB 1 ATOM 3881 C CG . ASN C 1 128 ? 52.924 -21.914 -15.275 1.00 29.57 ? 206 ASN C CG 1 ATOM 3882 O OD1 . ASN C 1 128 ? 52.230 -22.341 -16.199 1.00 31.28 ? 206 ASN C OD1 1 ATOM 3883 N ND2 . ASN C 1 128 ? 54.124 -21.376 -15.467 1.00 32.00 ? 206 ASN C ND2 1 ATOM 3884 N N . THR C 1 129 ? 49.487 -22.033 -12.519 1.00 27.44 ? 207 THR C N 1 ATOM 3885 C CA . THR C 1 129 ? 48.769 -22.865 -11.533 1.00 26.56 ? 207 THR C CA 1 ATOM 3886 C C . THR C 1 129 ? 48.766 -22.264 -10.124 1.00 26.68 ? 207 THR C C 1 ATOM 3887 O O . THR C 1 129 ? 49.232 -22.877 -9.159 1.00 26.71 ? 207 THR C O 1 ATOM 3888 C CB . THR C 1 129 ? 49.351 -24.299 -11.499 1.00 26.69 ? 207 THR C CB 1 ATOM 3889 O OG1 . THR C 1 129 ? 49.649 -24.724 -12.832 1.00 25.67 ? 207 THR C OG1 1 ATOM 3890 C CG2 . THR C 1 129 ? 48.356 -25.278 -10.878 1.00 26.05 ? 207 THR C CG2 1 ATOM 3891 N N . GLN C 1 130 ? 48.251 -21.043 -10.025 1.00 26.37 ? 208 GLN C N 1 ATOM 3892 C CA . GLN C 1 130 ? 48.156 -20.339 -8.763 1.00 25.80 ? 208 GLN C CA 1 ATOM 3893 C C . GLN C 1 130 ? 47.202 -21.106 -7.847 1.00 25.56 ? 208 GLN C C 1 ATOM 3894 O O . GLN C 1 130 ? 46.087 -21.442 -8.236 1.00 24.81 ? 208 GLN C O 1 ATOM 3895 C CB . GLN C 1 130 ? 47.704 -18.904 -9.010 1.00 26.19 ? 208 GLN C CB 1 ATOM 3896 C CG . GLN C 1 130 ? 48.657 -18.168 -9.935 1.00 25.27 ? 208 GLN C CG 1 ATOM 3897 C CD . GLN C 1 130 ? 48.074 -16.910 -10.548 1.00 27.87 ? 208 GLN C CD 1 ATOM 3898 O OE1 . GLN C 1 130 ? 48.284 -16.640 -11.739 1.00 29.00 ? 208 GLN C OE1 1 ATOM 3899 N NE2 . GLN C 1 130 ? 47.361 -16.125 -9.749 1.00 25.60 ? 208 GLN C NE2 1 ATOM 3900 N N . ALA C 1 131 ? 47.673 -21.404 -6.641 1.00 24.99 ? 209 ALA C N 1 ATOM 3901 C CA . ALA C 1 131 ? 47.019 -22.382 -5.783 1.00 24.96 ? 209 ALA C CA 1 ATOM 3902 C C . ALA C 1 131 ? 46.376 -21.778 -4.538 1.00 25.34 ? 209 ALA C C 1 ATOM 3903 O O . ALA C 1 131 ? 45.340 -22.258 -4.078 1.00 25.05 ? 209 ALA C O 1 ATOM 3904 C CB . ALA C 1 131 ? 48.014 -23.470 -5.389 1.00 24.71 ? 209 ALA C CB 1 ATOM 3905 N N . GLN C 1 132 ? 47.007 -20.750 -3.972 1.00 25.25 ? 210 GLN C N 1 ATOM 3906 C CA . GLN C 1 132 ? 46.479 -20.124 -2.764 1.00 26.17 ? 210 GLN C CA 1 ATOM 3907 C C . GLN C 1 132 ? 46.822 -18.645 -2.666 1.00 26.34 ? 210 GLN C C 1 ATOM 3908 O O . GLN C 1 132 ? 47.836 -18.195 -3.199 1.00 26.46 ? 210 GLN C O 1 ATOM 3909 C CB . GLN C 1 132 ? 46.967 -20.856 -1.503 1.00 25.99 ? 210 GLN C CB 1 ATOM 3910 C CG . GLN C 1 132 ? 48.490 -20.839 -1.308 1.00 25.99 ? 210 GLN C CG 1 ATOM 3911 C CD . GLN C 1 132 ? 48.913 -21.363 0.054 1.00 26.78 ? 210 GLN C CD 1 ATOM 3912 O OE1 . GLN C 1 132 ? 49.654 -20.703 0.785 1.00 27.46 ? 210 GLN C OE1 1 ATOM 3913 N NE2 . GLN C 1 132 ? 48.432 -22.548 0.406 1.00 27.41 ? 210 GLN C NE2 1 ATOM 3914 N N . ILE C 1 133 ? 45.957 -17.900 -1.987 1.00 26.72 ? 211 ILE C N 1 ATOM 3915 C CA . ILE C 1 133 ? 46.241 -16.525 -1.582 1.00 26.75 ? 211 ILE C CA 1 ATOM 3916 C C . ILE C 1 133 ? 46.286 -16.487 -0.053 1.00 27.35 ? 211 ILE C C 1 ATOM 3917 O O . ILE C 1 133 ? 45.273 -16.759 0.617 1.00 27.44 ? 211 ILE C O 1 ATOM 3918 C CB . ILE C 1 133 ? 45.178 -15.531 -2.102 1.00 26.82 ? 211 ILE C CB 1 ATOM 3919 C CG1 . ILE C 1 133 ? 44.960 -15.714 -3.616 1.00 27.11 ? 211 ILE C CG1 1 ATOM 3920 C CG2 . ILE C 1 133 ? 45.581 -14.085 -1.749 1.00 26.24 ? 211 ILE C CG2 1 ATOM 3921 C CD1 . ILE C 1 133 ? 43.833 -14.874 -4.211 1.00 26.62 ? 211 ILE C CD1 1 ATOM 3922 N N . ALA C 1 134 ? 47.463 -16.186 0.490 1.00 27.26 ? 212 ALA C N 1 ATOM 3923 C CA . ALA C 1 134 ? 47.649 -16.067 1.932 1.00 27.67 ? 212 ALA C CA 1 ATOM 3924 C C . ALA C 1 134 ? 47.748 -14.595 2.306 1.00 27.93 ? 212 ALA C C 1 ATOM 3925 O O . ALA C 1 134 ? 48.569 -13.864 1.763 1.00 28.32 ? 212 ALA C O 1 ATOM 3926 C CB . ALA C 1 134 ? 48.906 -16.821 2.384 1.00 27.69 ? 212 ALA C CB 1 ATOM 3927 N N . ILE C 1 135 ? 46.907 -14.166 3.232 1.00 28.21 ? 213 ILE C N 1 ATOM 3928 C CA . ILE C 1 135 ? 46.855 -12.756 3.629 1.00 28.48 ? 213 ILE C CA 1 ATOM 3929 C C . ILE C 1 135 ? 47.218 -12.634 5.111 1.00 28.67 ? 213 ILE C C 1 ATOM 3930 O O . ILE C 1 135 ? 46.626 -13.310 5.952 1.00 28.69 ? 213 ILE C O 1 ATOM 3931 C CB . ILE C 1 135 ? 45.455 -12.161 3.365 1.00 28.12 ? 213 ILE C CB 1 ATOM 3932 C CG1 . ILE C 1 135 ? 45.046 -12.363 1.901 1.00 27.81 ? 213 ILE C CG1 1 ATOM 3933 C CG2 . ILE C 1 135 ? 45.400 -10.656 3.737 1.00 28.40 ? 213 ILE C CG2 1 ATOM 3934 C CD1 . ILE C 1 135 ? 43.539 -12.338 1.681 1.00 26.77 ? 213 ILE C CD1 1 ATOM 3935 N N . GLY C 1 136 ? 48.203 -11.794 5.428 1.00 28.64 ? 214 GLY C N 1 ATOM 3936 C CA . GLY C 1 136 ? 48.558 -11.552 6.829 1.00 29.02 ? 214 GLY C CA 1 ATOM 3937 C C . GLY C 1 136 ? 49.957 -11.987 7.234 1.00 29.39 ? 214 GLY C C 1 ATOM 3938 O O . GLY C 1 136 ? 50.468 -11.567 8.282 1.00 29.26 ? 214 GLY C O 1 ATOM 3939 N N . GLY C 1 137 ? 50.563 -12.849 6.422 1.00 29.59 ? 215 GLY C N 1 ATOM 3940 C CA . GLY C 1 137 ? 51.990 -13.136 6.517 1.00 29.96 ? 215 GLY C CA 1 ATOM 3941 C C . GLY C 1 137 ? 52.481 -14.062 7.615 1.00 30.70 ? 215 GLY C C 1 ATOM 3942 O O . GLY C 1 137 ? 53.673 -14.379 7.655 1.00 30.35 ? 215 GLY C O 1 ATOM 3943 N N . LYS C 1 138 ? 51.583 -14.511 8.491 1.00 31.23 ? 216 LYS C N 1 ATOM 3944 C CA . LYS C 1 138 ? 51.986 -15.277 9.680 1.00 32.39 ? 216 LYS C CA 1 ATOM 3945 C C . LYS C 1 138 ? 52.538 -16.661 9.325 1.00 32.66 ? 216 LYS C C 1 ATOM 3946 O O . LYS C 1 138 ? 53.437 -17.171 9.995 1.00 32.70 ? 216 LYS C O 1 ATOM 3947 C CB . LYS C 1 138 ? 50.829 -15.384 10.684 1.00 32.05 ? 216 LYS C CB 1 ATOM 3948 C CG . LYS C 1 138 ? 51.236 -15.922 12.052 1.00 32.67 ? 216 LYS C CG 1 ATOM 3949 C CD . LYS C 1 138 ? 50.034 -16.043 12.972 1.00 33.00 ? 216 LYS C CD 1 ATOM 3950 C CE . LYS C 1 138 ? 50.439 -16.480 14.374 1.00 33.74 ? 216 LYS C CE 1 ATOM 3951 N NZ . LYS C 1 138 ? 49.254 -16.464 15.280 1.00 34.71 ? 216 LYS C NZ 1 ATOM 3952 N N . ASP C 1 139 ? 52.005 -17.245 8.256 1.00 33.51 ? 217 ASP C N 1 ATOM 3953 C CA . ASP C 1 139 ? 52.444 -18.558 7.767 1.00 34.24 ? 217 ASP C CA 1 ATOM 3954 C C . ASP C 1 139 ? 53.897 -18.555 7.282 1.00 34.15 ? 217 ASP C C 1 ATOM 3955 O O . ASP C 1 139 ? 54.530 -19.611 7.231 1.00 34.33 ? 217 ASP C O 1 ATOM 3956 C CB . ASP C 1 139 ? 51.518 -19.053 6.646 1.00 34.37 ? 217 ASP C CB 1 ATOM 3957 C CG . ASP C 1 139 ? 51.518 -18.135 5.431 1.00 35.64 ? 217 ASP C CG 1 ATOM 3958 O OD1 . ASP C 1 139 ? 51.577 -16.892 5.600 1.00 36.45 ? 217 ASP C OD1 1 ATOM 3959 O OD2 . ASP C 1 139 ? 51.457 -18.657 4.298 1.00 37.69 ? 217 ASP C OD2 1 ATOM 3960 N N . LYS C 1 140 ? 54.412 -17.372 6.936 1.00 34.18 ? 218 LYS C N 1 ATOM 3961 C CA A LYS C 1 140 ? 55.791 -17.215 6.463 0.46 34.24 ? 218 LYS C CA 1 ATOM 3962 C CA B LYS C 1 140 ? 55.801 -17.250 6.479 0.54 34.19 ? 218 LYS C CA 1 ATOM 3963 C C . LYS C 1 140 ? 56.699 -16.578 7.521 1.00 34.22 ? 218 LYS C C 1 ATOM 3964 O O . LYS C 1 140 ? 57.848 -16.221 7.235 1.00 34.68 ? 218 LYS C O 1 ATOM 3965 C CB A LYS C 1 140 ? 55.828 -16.397 5.164 0.46 34.21 ? 218 LYS C CB 1 ATOM 3966 C CB B LYS C 1 140 ? 55.890 -16.535 5.120 0.54 34.11 ? 218 LYS C CB 1 ATOM 3967 C CG A LYS C 1 140 ? 55.314 -17.124 3.925 0.46 34.11 ? 218 LYS C CG 1 ATOM 3968 C CG B LYS C 1 140 ? 55.347 -17.328 3.926 0.54 33.86 ? 218 LYS C CG 1 ATOM 3969 C CD A LYS C 1 140 ? 56.429 -17.859 3.199 0.46 34.72 ? 218 LYS C CD 1 ATOM 3970 C CD B LYS C 1 140 ? 56.085 -18.653 3.713 0.54 34.16 ? 218 LYS C CD 1 ATOM 3971 C CE A LYS C 1 140 ? 55.872 -18.794 2.129 0.46 34.87 ? 218 LYS C CE 1 ATOM 3972 C CE B LYS C 1 140 ? 55.722 -19.304 2.374 0.54 34.20 ? 218 LYS C CE 1 ATOM 3973 N NZ A LYS C 1 140 ? 56.934 -19.673 1.563 0.46 33.54 ? 218 LYS C NZ 1 ATOM 3974 N NZ B LYS C 1 140 ? 54.278 -19.644 2.256 0.54 33.34 ? 218 LYS C NZ 1 ATOM 3975 N N . GLY C 1 141 ? 56.179 -16.434 8.739 1.00 34.03 ? 219 GLY C N 1 ATOM 3976 C CA . GLY C 1 141 ? 56.952 -15.912 9.869 1.00 33.35 ? 219 GLY C CA 1 ATOM 3977 C C . GLY C 1 141 ? 57.210 -14.415 9.837 1.00 33.20 ? 219 GLY C C 1 ATOM 3978 O O . GLY C 1 141 ? 58.107 -13.924 10.532 1.00 33.39 ? 219 GLY C O 1 ATOM 3979 N N . ARG C 1 142 ? 56.423 -13.694 9.041 1.00 32.32 ? 220 ARG C N 1 ATOM 3980 C CA . ARG C 1 142 ? 56.570 -12.247 8.870 1.00 32.15 ? 220 ARG C CA 1 ATOM 3981 C C . ARG C 1 142 ? 55.200 -11.595 8.970 1.00 31.80 ? 220 ARG C C 1 ATOM 3982 O O . ARG C 1 142 ? 54.622 -11.148 7.968 1.00 31.53 ? 220 ARG C O 1 ATOM 3983 C CB . ARG C 1 142 ? 57.231 -11.932 7.521 1.00 31.88 ? 220 ARG C CB 1 ATOM 3984 C CG . ARG C 1 142 ? 58.730 -12.244 7.473 1.00 32.30 ? 220 ARG C CG 1 ATOM 3985 C CD . ARG C 1 142 ? 59.320 -11.943 6.110 1.00 32.71 ? 220 ARG C CD 1 ATOM 3986 N NE . ARG C 1 142 ? 59.322 -10.510 5.817 1.00 33.75 ? 220 ARG C NE 1 ATOM 3987 C CZ . ARG C 1 142 ? 59.389 -9.990 4.594 1.00 33.69 ? 220 ARG C CZ 1 ATOM 3988 N NH1 . ARG C 1 142 ? 59.457 -10.781 3.526 1.00 33.72 ? 220 ARG C NH1 1 ATOM 3989 N NH2 . ARG C 1 142 ? 59.378 -8.672 4.438 1.00 32.85 ? 220 ARG C NH2 1 ATOM 3990 N N . LEU C 1 143 ? 54.667 -11.557 10.186 1.00 31.65 ? 221 LEU C N 1 ATOM 3991 C CA . LEU C 1 143 ? 53.266 -11.192 10.367 1.00 31.59 ? 221 LEU C CA 1 ATOM 3992 C C . LEU C 1 143 ? 52.988 -9.707 10.126 1.00 31.37 ? 221 LEU C C 1 ATOM 3993 O O . LEU C 1 143 ? 53.784 -8.838 10.493 1.00 31.31 ? 221 LEU C O 1 ATOM 3994 C CB . LEU C 1 143 ? 52.731 -11.691 11.721 1.00 32.03 ? 221 LEU C CB 1 ATOM 3995 C CG . LEU C 1 143 ? 53.162 -11.086 13.056 1.00 32.51 ? 221 LEU C CG 1 ATOM 3996 C CD1 . LEU C 1 143 ? 52.290 -9.879 13.391 1.00 33.23 ? 221 LEU C CD1 1 ATOM 3997 C CD2 . LEU C 1 143 ? 53.099 -12.121 14.171 1.00 31.83 ? 221 LEU C CD2 1 ATOM 3998 N N . PHE C 1 144 ? 51.860 -9.437 9.473 1.00 30.69 ? 222 PHE C N 1 ATOM 3999 C CA . PHE C 1 144 ? 51.360 -8.088 9.308 1.00 29.81 ? 222 PHE C CA 1 ATOM 4000 C C . PHE C 1 144 ? 50.471 -7.739 10.500 1.00 29.78 ? 222 PHE C C 1 ATOM 4001 O O . PHE C 1 144 ? 49.672 -8.567 10.944 1.00 29.30 ? 222 PHE C O 1 ATOM 4002 C CB . PHE C 1 144 ? 50.572 -7.979 7.993 1.00 29.43 ? 222 PHE C CB 1 ATOM 4003 C CG . PHE C 1 144 ? 49.838 -6.681 7.822 1.00 29.47 ? 222 PHE C CG 1 ATOM 4004 C CD1 . PHE C 1 144 ? 50.500 -5.544 7.363 1.00 27.97 ? 222 PHE C CD1 1 ATOM 4005 C CD2 . PHE C 1 144 ? 48.471 -6.594 8.121 1.00 29.21 ? 222 PHE C CD2 1 ATOM 4006 C CE1 . PHE C 1 144 ? 49.810 -4.344 7.200 1.00 29.42 ? 222 PHE C CE1 1 ATOM 4007 C CE2 . PHE C 1 144 ? 47.781 -5.388 7.980 1.00 28.44 ? 222 PHE C CE2 1 ATOM 4008 C CZ . PHE C 1 144 ? 48.450 -4.262 7.519 1.00 28.20 ? 222 PHE C CZ 1 ATOM 4009 N N . GLN C 1 145 ? 50.646 -6.528 11.029 1.00 29.60 ? 223 GLN C N 1 ATOM 4010 C CA A GLN C 1 145 ? 49.756 -5.980 12.057 0.53 29.76 ? 223 GLN C CA 1 ATOM 4011 C CA B GLN C 1 145 ? 49.738 -5.995 12.038 0.47 29.58 ? 223 GLN C CA 1 ATOM 4012 C C . GLN C 1 145 ? 49.162 -4.680 11.529 1.00 29.50 ? 223 GLN C C 1 ATOM 4013 O O . GLN C 1 145 ? 49.897 -3.794 11.083 1.00 29.35 ? 223 GLN C O 1 ATOM 4014 C CB A GLN C 1 145 ? 50.505 -5.687 13.367 0.53 29.77 ? 223 GLN C CB 1 ATOM 4015 C CB B GLN C 1 145 ? 50.450 -5.795 13.381 0.47 29.62 ? 223 GLN C CB 1 ATOM 4016 C CG A GLN C 1 145 ? 51.418 -6.792 13.872 0.53 30.03 ? 223 GLN C CG 1 ATOM 4017 C CG B GLN C 1 145 ? 49.537 -5.324 14.514 0.47 29.49 ? 223 GLN C CG 1 ATOM 4018 C CD A GLN C 1 145 ? 52.312 -6.338 15.015 0.53 30.18 ? 223 GLN C CD 1 ATOM 4019 C CD B GLN C 1 145 ? 50.300 -4.823 15.725 0.47 29.56 ? 223 GLN C CD 1 ATOM 4020 O OE1 A GLN C 1 145 ? 51.829 -5.900 16.055 0.53 31.32 ? 223 GLN C OE1 1 ATOM 4021 O OE1 B GLN C 1 145 ? 51.522 -4.681 15.689 0.47 30.65 ? 223 GLN C OE1 1 ATOM 4022 N NE2 A GLN C 1 145 ? 53.624 -6.449 14.828 0.53 30.85 ? 223 GLN C NE2 1 ATOM 4023 N NE2 B GLN C 1 145 ? 49.580 -4.548 16.806 0.47 28.51 ? 223 GLN C NE2 1 ATOM 4024 N N . GLY C 1 146 ? 47.843 -4.565 11.585 1.00 29.28 ? 224 GLY C N 1 ATOM 4025 C CA . GLY C 1 146 ? 47.171 -3.358 11.124 1.00 28.85 ? 224 GLY C CA 1 ATOM 4026 C C . GLY C 1 146 ? 45.875 -3.671 10.416 1.00 28.67 ? 224 GLY C C 1 ATOM 4027 O O . GLY C 1 146 ? 45.270 -4.729 10.643 1.00 28.29 ? 224 GLY C O 1 ATOM 4028 N N . GLN C 1 147 ? 45.463 -2.745 9.557 1.00 28.15 ? 225 GLN C N 1 ATOM 4029 C CA . GLN C 1 147 ? 44.198 -2.817 8.838 1.00 28.30 ? 225 GLN C CA 1 ATOM 4030 C C . GLN C 1 147 ? 44.468 -3.130 7.373 1.00 27.85 ? 225 GLN C C 1 ATOM 4031 O O . GLN C 1 147 ? 45.350 -2.526 6.762 1.00 27.78 ? 225 GLN C O 1 ATOM 4032 C CB . GLN C 1 147 ? 43.475 -1.467 8.976 1.00 28.56 ? 225 GLN C CB 1 ATOM 4033 C CG . GLN C 1 147 ? 42.157 -1.281 8.195 1.00 29.14 ? 225 GLN C CG 1 ATOM 4034 C CD . GLN C 1 147 ? 41.684 0.183 8.213 1.00 29.77 ? 225 GLN C CD 1 ATOM 4035 O OE1 . GLN C 1 147 ? 42.359 1.078 7.683 1.00 29.32 ? 225 GLN C OE1 1 ATOM 4036 N NE2 . GLN C 1 147 ? 40.529 0.430 8.841 1.00 30.55 ? 225 GLN C NE2 1 ATOM 4037 N N . LEU C 1 148 ? 43.722 -4.088 6.823 1.00 27.60 ? 226 LEU C N 1 ATOM 4038 C CA . LEU C 1 148 ? 43.693 -4.338 5.381 1.00 27.32 ? 226 LEU C CA 1 ATOM 4039 C C . LEU C 1 148 ? 42.271 -4.214 4.872 1.00 27.62 ? 226 LEU C C 1 ATOM 4040 O O . LEU C 1 148 ? 41.335 -4.729 5.501 1.00 26.99 ? 226 LEU C O 1 ATOM 4041 C CB . LEU C 1 148 ? 44.221 -5.737 5.040 1.00 27.62 ? 226 LEU C CB 1 ATOM 4042 C CG . LEU C 1 148 ? 45.712 -6.030 5.229 1.00 27.67 ? 226 LEU C CG 1 ATOM 4043 C CD1 . LEU C 1 148 ? 46.016 -7.459 4.815 1.00 27.72 ? 226 LEU C CD1 1 ATOM 4044 C CD2 . LEU C 1 148 ? 46.578 -5.056 4.441 1.00 27.16 ? 226 LEU C CD2 1 ATOM 4045 N N . SER C 1 149 ? 42.115 -3.568 3.715 1.00 27.45 ? 227 SER C N 1 ATOM 4046 C CA A SER C 1 149 ? 40.791 -3.247 3.183 0.25 27.71 ? 227 SER C CA 1 ATOM 4047 C CA B SER C 1 149 ? 40.795 -3.280 3.189 0.75 27.75 ? 227 SER C CA 1 ATOM 4048 C C . SER C 1 149 ? 40.743 -3.347 1.665 1.00 27.58 ? 227 SER C C 1 ATOM 4049 O O . SER C 1 149 ? 41.669 -2.900 0.979 1.00 27.68 ? 227 SER C O 1 ATOM 4050 C CB A SER C 1 149 ? 40.379 -1.826 3.585 0.25 27.62 ? 227 SER C CB 1 ATOM 4051 C CB B SER C 1 149 ? 40.341 -1.900 3.668 0.75 27.53 ? 227 SER C CB 1 ATOM 4052 O OG A SER C 1 149 ? 40.942 -1.442 4.823 0.25 28.11 ? 227 SER C OG 1 ATOM 4053 O OG B SER C 1 149 ? 39.070 -1.582 3.140 0.75 28.12 ? 227 SER C OG 1 ATOM 4054 N N . GLY C 1 150 ? 39.655 -3.919 1.152 1.00 28.00 ? 228 GLY C N 1 ATOM 4055 C CA . GLY C 1 150 ? 39.355 -3.928 -0.287 1.00 28.29 ? 228 GLY C CA 1 ATOM 4056 C C . GLY C 1 150 ? 40.408 -4.597 -1.163 1.00 28.99 ? 228 GLY C C 1 ATOM 4057 O O . GLY C 1 150 ? 40.690 -4.131 -2.274 1.00 29.02 ? 228 GLY C O 1 ATOM 4058 N N . LEU C 1 151 ? 40.993 -5.677 -0.658 1.00 28.61 ? 229 LEU C N 1 ATOM 4059 C CA . LEU C 1 151 ? 41.971 -6.455 -1.424 1.00 28.82 ? 229 LEU C CA 1 ATOM 4060 C C . LEU C 1 151 ? 41.381 -6.911 -2.751 1.00 29.05 ? 229 LEU C C 1 ATOM 4061 O O . LEU C 1 151 ? 40.296 -7.513 -2.785 1.00 29.14 ? 229 LEU C O 1 ATOM 4062 C CB . LEU C 1 151 ? 42.439 -7.666 -0.621 1.00 28.83 ? 229 LEU C CB 1 ATOM 4063 C CG . LEU C 1 151 ? 43.424 -8.624 -1.319 1.00 30.11 ? 229 LEU C CG 1 ATOM 4064 C CD1 . LEU C 1 151 ? 44.691 -7.906 -1.621 1.00 32.39 ? 229 LEU C CD1 1 ATOM 4065 C CD2 . LEU C 1 151 ? 43.713 -9.835 -0.467 1.00 29.74 ? 229 LEU C CD2 1 ATOM 4066 N N . TYR C 1 152 ? 42.085 -6.597 -3.837 1.00 28.47 ? 230 TYR C N 1 ATOM 4067 C CA . TYR C 1 152 ? 41.689 -7.004 -5.174 1.00 28.42 ? 230 TYR C CA 1 ATOM 4068 C C . TYR C 1 152 ? 42.850 -7.752 -5.822 1.00 28.17 ? 230 TYR C C 1 ATOM 4069 O O . TYR C 1 152 ? 43.957 -7.227 -5.912 1.00 27.85 ? 230 TYR C O 1 ATOM 4070 C CB . TYR C 1 152 ? 41.330 -5.771 -6.008 1.00 29.10 ? 230 TYR C CB 1 ATOM 4071 C CG . TYR C 1 152 ? 41.019 -6.058 -7.458 1.00 29.87 ? 230 TYR C CG 1 ATOM 4072 C CD1 . TYR C 1 152 ? 39.704 -6.181 -7.884 1.00 30.41 ? 230 TYR C CD1 1 ATOM 4073 C CD2 . TYR C 1 152 ? 42.045 -6.190 -8.413 1.00 31.74 ? 230 TYR C CD2 1 ATOM 4074 C CE1 . TYR C 1 152 ? 39.398 -6.432 -9.215 1.00 31.83 ? 230 TYR C CE1 1 ATOM 4075 C CE2 . TYR C 1 152 ? 41.749 -6.454 -9.761 1.00 29.69 ? 230 TYR C CE2 1 ATOM 4076 C CZ . TYR C 1 152 ? 40.423 -6.569 -10.142 1.00 31.04 ? 230 TYR C CZ 1 ATOM 4077 O OH . TYR C 1 152 ? 40.093 -6.828 -11.450 1.00 31.86 ? 230 TYR C OH 1 ATOM 4078 N N . TYR C 1 153 ? 42.593 -8.973 -6.270 1.00 27.71 ? 231 TYR C N 1 ATOM 4079 C CA . TYR C 1 153 ? 43.597 -9.728 -7.021 1.00 28.01 ? 231 TYR C CA 1 ATOM 4080 C C . TYR C 1 153 ? 42.967 -10.458 -8.202 1.00 27.91 ? 231 TYR C C 1 ATOM 4081 O O . TYR C 1 153 ? 42.191 -11.403 -8.016 1.00 27.45 ? 231 TYR C O 1 ATOM 4082 C CB . TYR C 1 153 ? 44.362 -10.710 -6.128 1.00 27.81 ? 231 TYR C CB 1 ATOM 4083 C CG . TYR C 1 153 ? 45.381 -11.521 -6.913 1.00 28.34 ? 231 TYR C CG 1 ATOM 4084 C CD1 . TYR C 1 153 ? 46.567 -10.930 -7.365 1.00 28.13 ? 231 TYR C CD1 1 ATOM 4085 C CD2 . TYR C 1 153 ? 45.140 -12.854 -7.239 1.00 27.32 ? 231 TYR C CD2 1 ATOM 4086 C CE1 . TYR C 1 153 ? 47.497 -11.655 -8.099 1.00 28.51 ? 231 TYR C CE1 1 ATOM 4087 C CE2 . TYR C 1 153 ? 46.074 -13.594 -7.975 1.00 27.27 ? 231 TYR C CE2 1 ATOM 4088 C CZ . TYR C 1 153 ? 47.242 -12.979 -8.401 1.00 27.97 ? 231 TYR C CZ 1 ATOM 4089 O OH . TYR C 1 153 ? 48.166 -13.682 -9.125 1.00 29.11 ? 231 TYR C OH 1 ATOM 4090 N N . ASP C 1 154 ? 43.306 -10.008 -9.412 1.00 28.02 ? 232 ASP C N 1 ATOM 4091 C CA . ASP C 1 154 ? 42.816 -10.619 -10.652 1.00 28.09 ? 232 ASP C CA 1 ATOM 4092 C C . ASP C 1 154 ? 41.307 -10.841 -10.643 1.00 28.40 ? 232 ASP C C 1 ATOM 4093 O O . ASP C 1 154 ? 40.827 -11.919 -11.002 1.00 28.29 ? 232 ASP C O 1 ATOM 4094 C CB . ASP C 1 154 ? 43.557 -11.934 -10.954 1.00 28.14 ? 232 ASP C CB 1 ATOM 4095 C CG . ASP C 1 154 ? 45.041 -11.728 -11.222 1.00 28.35 ? 232 ASP C CG 1 ATOM 4096 O OD1 . ASP C 1 154 ? 45.480 -10.565 -11.347 1.00 26.95 ? 232 ASP C OD1 1 ATOM 4097 O OD2 . ASP C 1 154 ? 45.772 -12.738 -11.320 1.00 29.17 ? 232 ASP C OD2 1 ATOM 4098 N N . GLY C 1 155 ? 40.565 -9.823 -10.222 1.00 28.43 ? 233 GLY C N 1 ATOM 4099 C CA . GLY C 1 155 ? 39.104 -9.881 -10.230 1.00 28.79 ? 233 GLY C CA 1 ATOM 4100 C C . GLY C 1 155 ? 38.484 -10.411 -8.948 1.00 28.53 ? 233 GLY C C 1 ATOM 4101 O O . GLY C 1 155 ? 37.281 -10.271 -8.742 1.00 28.68 ? 233 GLY C O 1 ATOM 4102 N N . LEU C 1 156 ? 39.302 -11.029 -8.099 1.00 28.36 ? 234 LEU C N 1 ATOM 4103 C CA . LEU C 1 156 ? 38.842 -11.579 -6.825 1.00 28.30 ? 234 LEU C CA 1 ATOM 4104 C C . LEU C 1 156 ? 38.935 -10.531 -5.716 1.00 28.49 ? 234 LEU C C 1 ATOM 4105 O O . LEU C 1 156 ? 40.007 -9.997 -5.441 1.00 29.02 ? 234 LEU C O 1 ATOM 4106 C CB . LEU C 1 156 ? 39.668 -12.815 -6.443 1.00 28.05 ? 234 LEU C CB 1 ATOM 4107 C CG . LEU C 1 156 ? 39.676 -13.989 -7.426 1.00 27.93 ? 234 LEU C CG 1 ATOM 4108 C CD1 . LEU C 1 156 ? 40.647 -15.048 -6.930 1.00 28.92 ? 234 LEU C CD1 1 ATOM 4109 C CD2 . LEU C 1 156 ? 38.271 -14.583 -7.629 1.00 28.51 ? 234 LEU C CD2 1 ATOM 4110 N N . LYS C 1 157 ? 37.806 -10.243 -5.086 1.00 28.03 ? 235 LYS C N 1 ATOM 4111 C CA . LYS C 1 157 ? 37.778 -9.357 -3.928 1.00 28.37 ? 235 LYS C CA 1 ATOM 4112 C C . LYS C 1 157 ? 37.857 -10.278 -2.719 1.00 27.91 ? 235 LYS C C 1 ATOM 4113 O O . LYS C 1 157 ? 36.831 -10.697 -2.168 1.00 27.48 ? 235 LYS C O 1 ATOM 4114 C CB . LYS C 1 157 ? 36.508 -8.494 -3.954 1.00 27.92 ? 235 LYS C CB 1 ATOM 4115 C CG . LYS C 1 157 ? 36.479 -7.548 -5.160 1.00 29.20 ? 235 LYS C CG 1 ATOM 4116 C CD . LYS C 1 157 ? 35.277 -6.624 -5.168 1.00 29.71 ? 235 LYS C CD 1 ATOM 4117 C CE . LYS C 1 157 ? 35.485 -5.499 -6.188 1.00 33.00 ? 235 LYS C CE 1 ATOM 4118 N NZ . LYS C 1 157 ? 34.203 -4.832 -6.544 1.00 35.02 ? 235 LYS C NZ 1 ATOM 4119 N N . VAL C 1 158 ? 39.091 -10.622 -2.342 1.00 27.90 ? 236 VAL C N 1 ATOM 4120 C CA . VAL C 1 158 ? 39.328 -11.767 -1.453 1.00 27.86 ? 236 VAL C CA 1 ATOM 4121 C C . VAL C 1 158 ? 38.805 -11.525 -0.039 1.00 27.91 ? 236 VAL C C 1 ATOM 4122 O O . VAL C 1 158 ? 38.245 -12.435 0.581 1.00 27.94 ? 236 VAL C O 1 ATOM 4123 C CB . VAL C 1 158 ? 40.822 -12.204 -1.427 1.00 28.09 ? 236 VAL C CB 1 ATOM 4124 C CG1 . VAL C 1 158 ? 40.981 -13.462 -0.612 1.00 28.74 ? 236 VAL C CG1 1 ATOM 4125 C CG2 . VAL C 1 158 ? 41.337 -12.455 -2.843 1.00 27.84 ? 236 VAL C CG2 1 ATOM 4126 N N . LEU C 1 159 ? 38.979 -10.303 0.464 1.00 27.41 ? 237 LEU C N 1 ATOM 4127 C CA . LEU C 1 159 ? 38.412 -9.949 1.767 1.00 27.89 ? 237 LEU C CA 1 ATOM 4128 C C . LEU C 1 159 ? 36.883 -9.956 1.772 1.00 27.76 ? 237 LEU C C 1 ATOM 4129 O O . LEU C 1 159 ? 36.275 -10.353 2.776 1.00 27.95 ? 237 LEU C O 1 ATOM 4130 C CB . LEU C 1 159 ? 38.978 -8.623 2.304 1.00 27.06 ? 237 LEU C CB 1 ATOM 4131 C CG . LEU C 1 159 ? 40.506 -8.563 2.479 1.00 27.25 ? 237 LEU C CG 1 ATOM 4132 C CD1 . LEU C 1 159 ? 40.956 -7.203 3.037 1.00 26.60 ? 237 LEU C CD1 1 ATOM 4133 C CD2 . LEU C 1 159 ? 41.022 -9.691 3.363 1.00 27.91 ? 237 LEU C CD2 1 ATOM 4134 N N . ASN C 1 160 ? 36.264 -9.528 0.665 1.00 27.80 ? 238 ASN C N 1 ATOM 4135 C CA . ASN C 1 160 ? 34.804 -9.604 0.527 1.00 28.16 ? 238 ASN C CA 1 ATOM 4136 C C . ASN C 1 160 ? 34.341 -11.050 0.594 1.00 27.88 ? 238 ASN C C 1 ATOM 4137 O O . ASN C 1 160 ? 33.335 -11.353 1.236 1.00 27.19 ? 238 ASN C O 1 ATOM 4138 C CB . ASN C 1 160 ? 34.302 -8.961 -0.782 1.00 28.52 ? 238 ASN C CB 1 ATOM 4139 C CG . ASN C 1 160 ? 34.167 -7.435 -0.695 1.00 31.29 ? 238 ASN C CG 1 ATOM 4140 O OD1 . ASN C 1 160 ? 34.660 -6.800 0.236 1.00 33.22 ? 238 ASN C OD1 1 ATOM 4141 N ND2 . ASN C 1 160 ? 33.510 -6.841 -1.691 1.00 33.66 ? 238 ASN C ND2 1 ATOM 4142 N N . MET C 1 161 ? 35.085 -11.936 -0.071 1.00 27.79 ? 239 MET C N 1 ATOM 4143 C CA . MET C 1 161 ? 34.788 -13.375 -0.068 1.00 28.65 ? 239 MET C CA 1 ATOM 4144 C C . MET C 1 161 ? 34.927 -13.962 1.341 1.00 27.67 ? 239 MET C C 1 ATOM 4145 O O . MET C 1 161 ? 34.095 -14.757 1.763 1.00 27.56 ? 239 MET C O 1 ATOM 4146 C CB . MET C 1 161 ? 35.683 -14.118 -1.068 1.00 28.49 ? 239 MET C CB 1 ATOM 4147 C CG . MET C 1 161 ? 35.507 -13.646 -2.524 1.00 29.47 ? 239 MET C CG 1 ATOM 4148 S SD . MET C 1 161 ? 36.872 -14.071 -3.647 1.00 32.70 ? 239 MET C SD 1 ATOM 4149 C CE . MET C 1 161 ? 36.662 -15.833 -3.776 1.00 30.43 ? 239 MET C CE 1 ATOM 4150 N N . ALA C 1 162 ? 35.965 -13.540 2.068 1.00 27.35 ? 240 ALA C N 1 ATOM 4151 C CA . ALA C 1 162 ? 36.156 -13.940 3.463 1.00 26.96 ? 240 ALA C CA 1 ATOM 4152 C C . ALA C 1 162 ? 34.967 -13.482 4.316 1.00 27.04 ? 240 ALA C C 1 ATOM 4153 O O . ALA C 1 162 ? 34.436 -14.262 5.104 1.00 26.82 ? 240 ALA C O 1 ATOM 4154 C CB . ALA C 1 162 ? 37.467 -13.373 4.012 1.00 26.69 ? 240 ALA C CB 1 ATOM 4155 N N . ALA C 1 163 ? 34.542 -12.231 4.128 1.00 26.98 ? 241 ALA C N 1 ATOM 4156 C CA . ALA C 1 163 ? 33.389 -11.674 4.850 1.00 27.53 ? 241 ALA C CA 1 ATOM 4157 C C . ALA C 1 163 ? 32.083 -12.416 4.557 1.00 28.27 ? 241 ALA C C 1 ATOM 4158 O O . ALA C 1 163 ? 31.241 -12.542 5.441 1.00 28.16 ? 241 ALA C O 1 ATOM 4159 C CB . ALA C 1 163 ? 33.240 -10.175 4.564 1.00 27.08 ? 241 ALA C CB 1 ATOM 4160 N N . GLU C 1 164 ? 31.937 -12.918 3.327 1.00 29.25 ? 242 GLU C N 1 ATOM 4161 C CA . GLU C 1 164 ? 30.756 -13.687 2.901 1.00 30.92 ? 242 GLU C CA 1 ATOM 4162 C C . GLU C 1 164 ? 30.835 -15.173 3.263 1.00 30.42 ? 242 GLU C C 1 ATOM 4163 O O . GLU C 1 164 ? 29.999 -15.959 2.818 1.00 30.32 ? 242 GLU C O 1 ATOM 4164 C CB . GLU C 1 164 ? 30.574 -13.604 1.383 1.00 31.05 ? 242 GLU C CB 1 ATOM 4165 C CG . GLU C 1 164 ? 30.348 -12.222 0.805 1.00 33.51 ? 242 GLU C CG 1 ATOM 4166 C CD . GLU C 1 164 ? 30.468 -12.226 -0.717 1.00 34.02 ? 242 GLU C CD 1 ATOM 4167 O OE1 . GLU C 1 164 ? 31.460 -12.785 -1.255 1.00 38.67 ? 242 GLU C OE1 1 ATOM 4168 O OE2 . GLU C 1 164 ? 29.563 -11.673 -1.375 1.00 39.13 ? 242 GLU C OE2 1 ATOM 4169 N N . ASN C 1 165 ? 31.843 -15.551 4.050 1.00 30.29 ? 243 ASN C N 1 ATOM 4170 C CA . ASN C 1 165 ? 32.084 -16.951 4.434 1.00 30.37 ? 243 ASN C CA 1 ATOM 4171 C C . ASN C 1 165 ? 32.221 -17.911 3.233 1.00 29.90 ? 243 ASN C C 1 ATOM 4172 O O . ASN C 1 165 ? 31.688 -19.028 3.239 1.00 29.42 ? 243 ASN C O 1 ATOM 4173 C CB . ASN C 1 165 ? 31.039 -17.449 5.445 1.00 30.79 ? 243 ASN C CB 1 ATOM 4174 C CG . ASN C 1 165 ? 30.881 -16.517 6.651 1.00 32.79 ? 243 ASN C CG 1 ATOM 4175 O OD1 . ASN C 1 165 ? 31.865 -16.081 7.255 1.00 36.24 ? 243 ASN C OD1 1 ATOM 4176 N ND2 . ASN C 1 165 ? 29.631 -16.221 7.013 1.00 34.67 ? 243 ASN C ND2 1 ATOM 4177 N N . ASN C 1 166 ? 32.936 -17.452 2.203 1.00 29.39 ? 244 ASN C N 1 ATOM 4178 C CA . ASN C 1 166 ? 33.290 -18.282 1.052 1.00 29.16 ? 244 ASN C CA 1 ATOM 4179 C C . ASN C 1 166 ? 33.903 -19.598 1.555 1.00 28.86 ? 244 ASN C C 1 ATOM 4180 O O . ASN C 1 166 ? 34.788 -19.569 2.410 1.00 28.56 ? 244 ASN C O 1 ATOM 4181 C CB . ASN C 1 166 ? 34.262 -17.514 0.148 1.00 29.08 ? 244 ASN C CB 1 ATOM 4182 C CG . ASN C 1 166 ? 34.573 -18.238 -1.159 1.00 29.94 ? 244 ASN C CG 1 ATOM 4183 O OD1 . ASN C 1 166 ? 34.127 -17.822 -2.233 1.00 32.19 ? 244 ASN C OD1 1 ATOM 4184 N ND2 . ASN C 1 166 ? 35.348 -19.308 -1.076 1.00 27.74 ? 244 ASN C ND2 1 ATOM 4185 N N . PRO C 1 167 ? 33.405 -20.750 1.058 1.00 28.43 ? 245 PRO C N 1 ATOM 4186 C CA . PRO C 1 167 ? 33.834 -22.078 1.535 1.00 28.45 ? 245 PRO C CA 1 ATOM 4187 C C . PRO C 1 167 ? 35.321 -22.400 1.332 1.00 28.43 ? 245 PRO C C 1 ATOM 4188 O O . PRO C 1 167 ? 35.855 -23.280 2.009 1.00 27.92 ? 245 PRO C O 1 ATOM 4189 C CB . PRO C 1 167 ? 32.960 -23.047 0.721 1.00 28.60 ? 245 PRO C CB 1 ATOM 4190 C CG . PRO C 1 167 ? 32.550 -22.279 -0.489 1.00 28.38 ? 245 PRO C CG 1 ATOM 4191 C CD . PRO C 1 167 ? 32.380 -20.862 0.003 1.00 28.63 ? 245 PRO C CD 1 ATOM 4192 N N . ASN C 1 168 ? 35.973 -21.682 0.419 1.00 28.50 ? 246 ASN C N 1 ATOM 4193 C CA . ASN C 1 168 ? 37.393 -21.876 0.109 1.00 28.90 ? 246 ASN C CA 1 ATOM 4194 C C . ASN C 1 168 ? 38.314 -20.956 0.936 1.00 29.26 ? 246 ASN C C 1 ATOM 4195 O O . ASN C 1 168 ? 39.520 -20.858 0.675 1.00 29.39 ? 246 ASN C O 1 ATOM 4196 C CB . ASN C 1 168 ? 37.621 -21.647 -1.393 1.00 28.42 ? 246 ASN C CB 1 ATOM 4197 C CG . ASN C 1 168 ? 36.759 -22.552 -2.260 1.00 30.17 ? 246 ASN C CG 1 ATOM 4198 O OD1 . ASN C 1 168 ? 36.876 -23.779 -2.205 1.00 29.29 ? 246 ASN C OD1 1 ATOM 4199 N ND2 . ASN C 1 168 ? 35.892 -21.948 -3.071 1.00 30.98 ? 246 ASN C ND2 1 ATOM 4200 N N . ILE C 1 169 ? 37.730 -20.260 1.909 1.00 29.43 ? 247 ILE C N 1 ATOM 4201 C CA . ILE C 1 169 ? 38.480 -19.365 2.793 1.00 29.28 ? 247 ILE C CA 1 ATOM 4202 C C . ILE C 1 169 ? 38.645 -20.002 4.170 1.00 29.16 ? 247 ILE C C 1 ATOM 4203 O O . ILE C 1 169 ? 37.689 -20.537 4.731 1.00 28.82 ? 247 ILE C O 1 ATOM 4204 C CB . ILE C 1 169 ? 37.783 -17.992 2.954 1.00 29.16 ? 247 ILE C CB 1 ATOM 4205 C CG1 . ILE C 1 169 ? 37.623 -17.287 1.597 1.00 30.07 ? 247 ILE C CG1 1 ATOM 4206 C CG2 . ILE C 1 169 ? 38.525 -17.109 3.986 1.00 29.48 ? 247 ILE C CG2 1 ATOM 4207 C CD1 . ILE C 1 169 ? 38.766 -16.426 1.169 1.00 31.09 ? 247 ILE C CD1 1 ATOM 4208 N N . LYS C 1 170 ? 39.866 -19.952 4.696 1.00 29.39 ? 248 LYS C N 1 ATOM 4209 C CA . LYS C 1 170 ? 40.143 -20.329 6.076 1.00 30.05 ? 248 LYS C CA 1 ATOM 4210 C C . LYS C 1 170 ? 40.748 -19.138 6.806 1.00 30.00 ? 248 LYS C C 1 ATOM 4211 O O . LYS C 1 170 ? 41.622 -18.457 6.270 1.00 29.99 ? 248 LYS C O 1 ATOM 4212 C CB . LYS C 1 170 ? 41.080 -21.533 6.132 1.00 30.47 ? 248 LYS C CB 1 ATOM 4213 C CG . LYS C 1 170 ? 40.377 -22.850 5.849 1.00 32.96 ? 248 LYS C CG 1 ATOM 4214 C CD . LYS C 1 170 ? 41.359 -23.950 5.435 1.00 36.26 ? 248 LYS C CD 1 ATOM 4215 C CE . LYS C 1 170 ? 40.659 -25.307 5.374 1.00 38.31 ? 248 LYS C CE 1 ATOM 4216 N NZ . LYS C 1 170 ? 41.568 -26.409 4.923 1.00 40.10 ? 248 LYS C NZ 1 ATOM 4217 N N . ILE C 1 171 ? 40.262 -18.880 8.018 1.00 29.87 ? 249 ILE C N 1 ATOM 4218 C CA . ILE C 1 171 ? 40.773 -17.790 8.846 1.00 30.39 ? 249 ILE C CA 1 ATOM 4219 C C . ILE C 1 171 ? 41.259 -18.359 10.173 1.00 30.59 ? 249 ILE C C 1 ATOM 4220 O O . ILE C 1 171 ? 40.612 -19.229 10.767 1.00 30.33 ? 249 ILE C O 1 ATOM 4221 C CB . ILE C 1 171 ? 39.712 -16.668 9.077 1.00 30.38 ? 249 ILE C CB 1 ATOM 4222 C CG1 . ILE C 1 171 ? 39.183 -16.140 7.736 1.00 30.42 ? 249 ILE C CG1 1 ATOM 4223 C CG2 . ILE C 1 171 ? 40.292 -15.515 9.926 1.00 30.71 ? 249 ILE C CG2 1 ATOM 4224 C CD1 . ILE C 1 171 ? 38.102 -15.058 7.858 1.00 30.75 ? 249 ILE C CD1 1 ATOM 4225 N N . ASN C 1 172 ? 42.413 -17.873 10.622 1.00 31.10 ? 250 ASN C N 1 ATOM 4226 C CA . ASN C 1 172 ? 43.048 -18.370 11.838 1.00 31.79 ? 250 ASN C CA 1 ATOM 4227 C C . ASN C 1 172 ? 43.823 -17.241 12.506 1.00 31.25 ? 250 ASN C C 1 ATOM 4228 O O . ASN C 1 172 ? 44.306 -16.335 11.827 1.00 31.04 ? 250 ASN C O 1 ATOM 4229 C CB . ASN C 1 172 ? 43.996 -19.525 11.487 1.00 32.55 ? 250 ASN C CB 1 ATOM 4230 C CG . ASN C 1 172 ? 44.386 -20.366 12.693 1.00 35.08 ? 250 ASN C CG 1 ATOM 4231 O OD1 . ASN C 1 172 ? 43.822 -20.226 13.790 1.00 38.53 ? 250 ASN C OD1 1 ATOM 4232 N ND2 . ASN C 1 172 ? 45.356 -21.264 12.493 1.00 37.45 ? 250 ASN C ND2 1 ATOM 4233 N N . GLY C 1 173 ? 43.946 -17.306 13.830 1.00 30.81 ? 251 GLY C N 1 ATOM 4234 C CA . GLY C 1 173 ? 44.754 -16.348 14.576 1.00 30.18 ? 251 GLY C CA 1 ATOM 4235 C C . GLY C 1 173 ? 44.035 -15.051 14.873 1.00 30.04 ? 251 GLY C C 1 ATOM 4236 O O . GLY C 1 173 ? 42.804 -14.997 14.877 1.00 29.74 ? 251 GLY C O 1 ATOM 4237 N N . SER C 1 174 ? 44.816 -14.001 15.107 1.00 29.71 ? 252 SER C N 1 ATOM 4238 C CA . SER C 1 174 ? 44.295 -12.706 15.524 1.00 29.76 ? 252 SER C CA 1 ATOM 4239 C C . SER C 1 174 ? 43.843 -11.857 14.328 1.00 29.39 ? 252 SER C C 1 ATOM 4240 O O . SER C 1 174 ? 44.486 -10.858 13.963 1.00 29.23 ? 252 SER C O 1 ATOM 4241 C CB . SER C 1 174 ? 45.352 -11.978 16.355 1.00 29.89 ? 252 SER C CB 1 ATOM 4242 O OG . SER C 1 174 ? 44.829 -10.800 16.930 1.00 31.34 ? 252 SER C OG 1 ATOM 4243 N N . VAL C 1 175 ? 42.742 -12.283 13.710 1.00 28.93 ? 253 VAL C N 1 ATOM 4244 C CA . VAL C 1 175 ? 42.138 -11.568 12.582 1.00 28.66 ? 253 VAL C CA 1 ATOM 4245 C C . VAL C 1 175 ? 40.672 -11.326 12.893 1.00 28.33 ? 253 VAL C C 1 ATOM 4246 O O . VAL C 1 175 ? 39.970 -12.232 13.346 1.00 27.83 ? 253 VAL C O 1 ATOM 4247 C CB . VAL C 1 175 ? 42.185 -12.372 11.251 1.00 29.09 ? 253 VAL C CB 1 ATOM 4248 C CG1 . VAL C 1 175 ? 41.921 -11.441 10.060 1.00 28.96 ? 253 VAL C CG1 1 ATOM 4249 C CG2 . VAL C 1 175 ? 43.496 -13.086 11.073 1.00 29.33 ? 253 VAL C CG2 1 ATOM 4250 N N . ARG C 1 176 ? 40.203 -10.113 12.625 1.00 27.71 ? 254 ARG C N 1 ATOM 4251 C CA . ARG C 1 176 ? 38.813 -9.785 12.868 1.00 27.75 ? 254 ARG C CA 1 ATOM 4252 C C . ARG C 1 176 ? 38.241 -8.879 11.778 1.00 26.91 ? 254 ARG C C 1 ATOM 4253 O O . ARG C 1 176 ? 38.851 -7.881 11.390 1.00 26.07 ? 254 ARG C O 1 ATOM 4254 C CB . ARG C 1 176 ? 38.639 -9.163 14.262 1.00 28.29 ? 254 ARG C CB 1 ATOM 4255 C CG . ARG C 1 176 ? 37.209 -8.815 14.609 1.00 30.51 ? 254 ARG C CG 1 ATOM 4256 C CD . ARG C 1 176 ? 37.012 -8.607 16.090 1.00 34.23 ? 254 ARG C CD 1 ATOM 4257 N NE . ARG C 1 176 ? 37.804 -7.499 16.611 1.00 37.26 ? 254 ARG C NE 1 ATOM 4258 C CZ . ARG C 1 176 ? 37.607 -6.952 17.804 1.00 38.13 ? 254 ARG C CZ 1 ATOM 4259 N NH1 . ARG C 1 176 ? 38.370 -5.950 18.211 1.00 38.60 ? 254 ARG C NH1 1 ATOM 4260 N NH2 . ARG C 1 176 ? 36.637 -7.405 18.589 1.00 39.92 ? 254 ARG C NH2 1 ATOM 4261 N N . LEU C 1 177 ? 37.075 -9.269 11.275 1.00 26.08 ? 255 LEU C N 1 ATOM 4262 C CA . LEU C 1 177 ? 36.282 -8.426 10.397 1.00 25.77 ? 255 LEU C CA 1 ATOM 4263 C C . LEU C 1 177 ? 35.773 -7.202 11.163 1.00 25.91 ? 255 LEU C C 1 ATOM 4264 O O . LEU C 1 177 ? 35.273 -7.332 12.283 1.00 25.28 ? 255 LEU C O 1 ATOM 4265 C CB . LEU C 1 177 ? 35.100 -9.230 9.852 1.00 25.52 ? 255 LEU C CB 1 ATOM 4266 C CG . LEU C 1 177 ? 34.075 -8.537 8.947 1.00 25.91 ? 255 LEU C CG 1 ATOM 4267 C CD1 . LEU C 1 177 ? 34.731 -8.065 7.651 1.00 24.96 ? 255 LEU C CD1 1 ATOM 4268 C CD2 . LEU C 1 177 ? 32.906 -9.483 8.672 1.00 25.51 ? 255 LEU C CD2 1 ATOM 4269 N N . VAL C 1 178 ? 35.911 -6.021 10.564 1.00 26.23 ? 256 VAL C N 1 ATOM 4270 C CA . VAL C 1 178 ? 35.280 -4.812 11.113 1.00 27.16 ? 256 VAL C CA 1 ATOM 4271 C C . VAL C 1 178 ? 34.239 -4.173 10.186 1.00 27.83 ? 256 VAL C C 1 ATOM 4272 O O . VAL C 1 178 ? 34.156 -4.457 8.990 1.00 28.95 ? 256 VAL C O 1 ATOM 4273 C CB . VAL C 1 178 ? 36.320 -3.758 11.578 1.00 27.29 ? 256 VAL C CB 1 ATOM 4274 C CG1 . VAL C 1 178 ? 37.008 -4.235 12.851 1.00 27.35 ? 256 VAL C CG1 1 ATOM 4275 C CG2 . VAL C 1 178 ? 37.334 -3.464 10.474 1.00 26.13 ? 256 VAL C CG2 1 ATOM 4276 O OXT . VAL C 1 178 ? 33.422 -3.359 10.606 1.00 28.15 ? 256 VAL C OXT 1 HETATM 4277 CA CA . CA D 2 . ? 14.585 -10.623 18.587 1.00 61.84 ? 1 CA A CA 1 HETATM 4278 C C1 . NAG E 3 . ? 29.935 -12.967 21.853 1.00 32.07 ? 301 NAG A C1 1 HETATM 4279 C C2 . NAG E 3 . ? 29.684 -14.304 21.139 1.00 32.10 ? 301 NAG A C2 1 HETATM 4280 C C3 . NAG E 3 . ? 29.942 -15.502 22.060 1.00 34.34 ? 301 NAG A C3 1 HETATM 4281 C C4 . NAG E 3 . ? 31.277 -15.378 22.794 1.00 36.63 ? 301 NAG A C4 1 HETATM 4282 C C5 . NAG E 3 . ? 31.380 -13.999 23.465 1.00 36.21 ? 301 NAG A C5 1 HETATM 4283 C C6 . NAG E 3 . ? 32.721 -13.780 24.170 1.00 37.95 ? 301 NAG A C6 1 HETATM 4284 C C7 . NAG E 3 . ? 28.116 -14.642 19.303 1.00 29.31 ? 301 NAG A C7 1 HETATM 4285 C C8 . NAG E 3 . ? 26.683 -14.772 18.871 1.00 27.37 ? 301 NAG A C8 1 HETATM 4286 N N2 . NAG E 3 . ? 28.338 -14.380 20.594 1.00 29.44 ? 301 NAG A N2 1 HETATM 4287 O O3 . NAG E 3 . ? 29.927 -16.706 21.315 1.00 34.38 ? 301 NAG A O3 1 HETATM 4288 O O4 . NAG E 3 . ? 31.379 -16.436 23.734 1.00 40.47 ? 301 NAG A O4 1 HETATM 4289 O O5 . NAG E 3 . ? 31.203 -12.983 22.490 1.00 33.77 ? 301 NAG A O5 1 HETATM 4290 O O6 . NAG E 3 . ? 33.770 -13.728 23.226 1.00 41.06 ? 301 NAG A O6 1 HETATM 4291 O O7 . NAG E 3 . ? 29.021 -14.764 18.474 1.00 30.01 ? 301 NAG A O7 1 HETATM 4292 C C1 . NAG F 3 . ? 32.577 -17.221 23.525 1.00 42.67 ? 302 NAG A C1 1 HETATM 4293 C C2 . NAG F 3 . ? 32.835 -18.122 24.742 1.00 44.03 ? 302 NAG A C2 1 HETATM 4294 C C3 . NAG F 3 . ? 34.041 -19.046 24.544 1.00 44.94 ? 302 NAG A C3 1 HETATM 4295 C C4 . NAG F 3 . ? 34.083 -19.668 23.145 1.00 45.33 ? 302 NAG A C4 1 HETATM 4296 C C5 . NAG F 3 . ? 33.765 -18.630 22.060 1.00 45.20 ? 302 NAG A C5 1 HETATM 4297 C C6 . NAG F 3 . ? 33.716 -19.238 20.662 1.00 45.68 ? 302 NAG A C6 1 HETATM 4298 C C7 . NAG F 3 . ? 31.960 -17.046 26.750 1.00 42.98 ? 302 NAG A C7 1 HETATM 4299 C C8 . NAG F 3 . ? 32.228 -16.088 27.873 1.00 42.32 ? 302 NAG A C8 1 HETATM 4300 N N2 . NAG F 3 . ? 32.996 -17.339 25.959 1.00 43.39 ? 302 NAG A N2 1 HETATM 4301 O O3 . NAG F 3 . ? 33.994 -20.068 25.519 1.00 45.97 ? 302 NAG A O3 1 HETATM 4302 O O4 . NAG F 3 . ? 35.369 -20.207 22.926 1.00 46.41 ? 302 NAG A O4 1 HETATM 4303 O O5 . NAG F 3 . ? 32.529 -18.002 22.347 1.00 43.88 ? 302 NAG A O5 1 HETATM 4304 O O6 . NAG F 3 . ? 32.504 -19.942 20.485 1.00 46.26 ? 302 NAG A O6 1 HETATM 4305 O O7 . NAG F 3 . ? 30.830 -17.513 26.587 1.00 42.99 ? 302 NAG A O7 1 HETATM 4306 C C1 . BMA G 4 . ? 34.942 -14.365 23.770 1.00 44.05 ? 303 BMA A C1 1 HETATM 4307 C C2 . BMA G 4 . ? 35.920 -14.770 22.654 1.00 45.45 ? 303 BMA A C2 1 HETATM 4308 C C3 . BMA G 4 . ? 36.944 -13.678 22.309 1.00 46.67 ? 303 BMA A C3 1 HETATM 4309 C C4 . BMA G 4 . ? 36.569 -12.324 22.902 1.00 47.06 ? 303 BMA A C4 1 HETATM 4310 C C5 . BMA G 4 . ? 36.268 -12.409 24.400 1.00 46.89 ? 303 BMA A C5 1 HETATM 4311 C C6 . BMA G 4 . ? 35.478 -11.196 24.877 1.00 47.06 ? 303 BMA A C6 1 HETATM 4312 O O2 . BMA G 4 . ? 35.210 -15.182 21.504 1.00 46.08 ? 303 BMA A O2 1 HETATM 4313 O O3 . BMA G 4 . ? 37.116 -13.536 20.910 1.00 46.84 ? 303 BMA A O3 1 HETATM 4314 O O4 . BMA G 4 . ? 37.647 -11.441 22.709 1.00 48.72 ? 303 BMA A O4 1 HETATM 4315 O O5 . BMA G 4 . ? 35.572 -13.592 24.779 1.00 45.94 ? 303 BMA A O5 1 HETATM 4316 O O6 . BMA G 4 . ? 36.219 -10.470 25.831 1.00 47.71 ? 303 BMA A O6 1 HETATM 4317 S S . SO4 H 5 . ? 17.042 23.546 3.670 1.00 27.06 ? 257 SO4 A S 1 HETATM 4318 O O1 . SO4 H 5 . ? 18.230 24.350 3.381 1.00 26.47 ? 257 SO4 A O1 1 HETATM 4319 O O2 . SO4 H 5 . ? 16.281 23.347 2.444 1.00 27.20 ? 257 SO4 A O2 1 HETATM 4320 O O3 . SO4 H 5 . ? 17.433 22.263 4.252 1.00 23.90 ? 257 SO4 A O3 1 HETATM 4321 O O4 . SO4 H 5 . ? 16.189 24.262 4.607 1.00 27.69 ? 257 SO4 A O4 1 HETATM 4322 S S . SO4 I 5 . ? 29.546 0.917 -5.794 1.00 85.63 ? 4 SO4 A S 1 HETATM 4323 O O1 . SO4 I 5 . ? 29.208 2.241 -6.312 1.00 85.69 ? 4 SO4 A O1 1 HETATM 4324 O O2 . SO4 I 5 . ? 28.463 -0.011 -6.103 1.00 85.78 ? 4 SO4 A O2 1 HETATM 4325 O O3 . SO4 I 5 . ? 30.769 0.446 -6.437 1.00 85.69 ? 4 SO4 A O3 1 HETATM 4326 O O4 . SO4 I 5 . ? 29.748 0.989 -4.347 1.00 85.23 ? 4 SO4 A O4 1 HETATM 4327 C C1 . NAG J 3 . ? 15.004 21.811 -12.948 1.00 34.48 ? 301 NAG B C1 1 HETATM 4328 C C2 . NAG J 3 . ? 13.933 20.718 -13.063 1.00 35.78 ? 301 NAG B C2 1 HETATM 4329 C C3 . NAG J 3 . ? 12.513 21.292 -13.179 1.00 37.55 ? 301 NAG B C3 1 HETATM 4330 C C4 . NAG J 3 . ? 12.244 22.347 -12.108 1.00 38.85 ? 301 NAG B C4 1 HETATM 4331 C C5 . NAG J 3 . ? 13.391 23.370 -12.114 1.00 38.80 ? 301 NAG B C5 1 HETATM 4332 C C6 . NAG J 3 . ? 13.210 24.458 -11.059 1.00 40.84 ? 301 NAG B C6 1 HETATM 4333 C C7 . NAG J 3 . ? 14.119 18.530 -14.089 1.00 35.20 ? 301 NAG B C7 1 HETATM 4334 C C8 . NAG J 3 . ? 14.156 17.756 -15.369 1.00 34.74 ? 301 NAG B C8 1 HETATM 4335 N N2 . NAG J 3 . ? 14.188 19.856 -14.201 1.00 34.62 ? 301 NAG B N2 1 HETATM 4336 O O3 . NAG J 3 . ? 11.562 20.250 -13.094 1.00 37.19 ? 301 NAG B O3 1 HETATM 4337 O O4 . NAG J 3 . ? 11.019 22.999 -12.389 1.00 40.88 ? 301 NAG B O4 1 HETATM 4338 O O5 . NAG J 3 . ? 14.636 22.714 -11.915 1.00 36.32 ? 301 NAG B O5 1 HETATM 4339 O O6 . NAG J 3 . ? 13.201 23.861 -9.784 1.00 44.01 ? 301 NAG B O6 1 HETATM 4340 O O7 . NAG J 3 . ? 14.030 17.939 -13.009 1.00 35.99 ? 301 NAG B O7 1 HETATM 4341 C C1 . NAG K 3 . ? 9.970 22.693 -11.443 1.00 41.94 ? 302 NAG B C1 1 HETATM 4342 C C2 . NAG K 3 . ? 8.794 23.605 -11.791 1.00 43.14 ? 302 NAG B C2 1 HETATM 4343 C C3 . NAG K 3 . ? 7.538 23.300 -10.976 1.00 43.67 ? 302 NAG B C3 1 HETATM 4344 C C4 . NAG K 3 . ? 7.223 21.805 -10.956 1.00 44.06 ? 302 NAG B C4 1 HETATM 4345 C C5 . NAG K 3 . ? 8.459 20.924 -10.730 1.00 44.15 ? 302 NAG B C5 1 HETATM 4346 C C6 . NAG K 3 . ? 8.142 19.489 -11.146 1.00 45.13 ? 302 NAG B C6 1 HETATM 4347 C C7 . NAG K 3 . ? 9.515 25.751 -12.682 1.00 43.08 ? 302 NAG B C7 1 HETATM 4348 C C8 . NAG K 3 . ? 9.999 27.135 -12.357 1.00 43.25 ? 302 NAG B C8 1 HETATM 4349 N N2 . NAG K 3 . ? 9.174 25.001 -11.638 1.00 42.91 ? 302 NAG B N2 1 HETATM 4350 O O3 . NAG K 3 . ? 6.450 23.977 -11.567 1.00 43.58 ? 302 NAG B O3 1 HETATM 4351 O O4 . NAG K 3 . ? 6.261 21.564 -9.949 1.00 44.46 ? 302 NAG B O4 1 HETATM 4352 O O5 . NAG K 3 . ? 9.578 21.333 -11.503 1.00 43.12 ? 302 NAG B O5 1 HETATM 4353 O O6 . NAG K 3 . ? 8.407 18.612 -10.072 1.00 46.77 ? 302 NAG B O6 1 HETATM 4354 O O7 . NAG K 3 . ? 9.445 25.360 -13.854 1.00 42.89 ? 302 NAG B O7 1 HETATM 4355 C C1 . BMA L 4 . ? 12.619 24.770 -8.830 1.00 45.89 ? 303 BMA B C1 1 HETATM 4356 C C2 . BMA L 4 . ? 12.099 23.981 -7.618 1.00 46.60 ? 303 BMA B C2 1 HETATM 4357 C C3 . BMA L 4 . ? 13.202 23.585 -6.626 1.00 47.43 ? 303 BMA B C3 1 HETATM 4358 C C4 . BMA L 4 . ? 14.550 24.174 -7.010 1.00 47.33 ? 303 BMA B C4 1 HETATM 4359 C C5 . BMA L 4 . ? 14.384 25.649 -7.379 1.00 47.25 ? 303 BMA B C5 1 HETATM 4360 C C6 . BMA L 4 . ? 15.720 26.302 -7.706 1.00 47.34 ? 303 BMA B C6 1 HETATM 4361 O O2 . BMA L 4 . ? 11.388 22.839 -8.057 1.00 47.02 ? 303 BMA B O2 1 HETATM 4362 O O3 . BMA L 4 . ? 13.334 22.182 -6.525 1.00 48.74 ? 303 BMA B O3 1 HETATM 4363 O O4 . BMA L 4 . ? 15.438 24.006 -5.930 1.00 47.69 ? 303 BMA B O4 1 HETATM 4364 O O5 . BMA L 4 . ? 13.496 25.837 -8.479 1.00 46.96 ? 303 BMA B O5 1 HETATM 4365 O O6 . BMA L 4 . ? 15.515 27.577 -8.271 1.00 47.91 ? 303 BMA B O6 1 HETATM 4366 S S . SO4 M 5 . ? 55.212 10.802 -22.208 1.00 60.76 ? 2 SO4 B S 1 HETATM 4367 O O1 . SO4 M 5 . ? 55.478 9.690 -23.115 1.00 60.84 ? 2 SO4 B O1 1 HETATM 4368 O O2 . SO4 M 5 . ? 53.933 11.419 -22.532 1.00 60.30 ? 2 SO4 B O2 1 HETATM 4369 O O3 . SO4 M 5 . ? 55.170 10.305 -20.836 1.00 60.74 ? 2 SO4 B O3 1 HETATM 4370 O O4 . SO4 M 5 . ? 56.268 11.804 -22.346 1.00 61.21 ? 2 SO4 B O4 1 HETATM 4371 S S . SO4 N 5 . ? 16.777 8.620 -17.824 1.00 61.44 ? 3 SO4 B S 1 HETATM 4372 O O1 . SO4 N 5 . ? 17.524 7.395 -18.112 1.00 61.29 ? 3 SO4 B O1 1 HETATM 4373 O O2 . SO4 N 5 . ? 16.158 9.097 -19.059 1.00 61.44 ? 3 SO4 B O2 1 HETATM 4374 O O3 . SO4 N 5 . ? 15.732 8.353 -16.833 1.00 61.92 ? 3 SO4 B O3 1 HETATM 4375 O O4 . SO4 N 5 . ? 17.681 9.632 -17.286 1.00 61.29 ? 3 SO4 B O4 1 HETATM 4376 S S . SO4 O 5 . ? 34.784 -1.414 -8.570 1.00 73.85 ? 5 SO4 B S 1 HETATM 4377 O O1 . SO4 O 5 . ? 35.913 -1.064 -9.427 1.00 73.87 ? 5 SO4 B O1 1 HETATM 4378 O O2 . SO4 O 5 . ? 34.122 -2.612 -9.087 1.00 73.94 ? 5 SO4 B O2 1 HETATM 4379 O O3 . SO4 O 5 . ? 35.269 -1.673 -7.215 1.00 74.27 ? 5 SO4 B O3 1 HETATM 4380 O O4 . SO4 O 5 . ? 33.843 -0.299 -8.548 1.00 74.05 ? 5 SO4 B O4 1 HETATM 4381 C C1 . NAG P 3 . ? 58.036 -5.993 -21.030 1.00 43.53 ? 301 NAG C C1 1 HETATM 4382 C C2 . NAG P 3 . ? 57.083 -6.462 -22.137 1.00 46.65 ? 301 NAG C C2 1 HETATM 4383 C C3 . NAG P 3 . ? 57.750 -6.445 -23.521 1.00 48.96 ? 301 NAG C C3 1 HETATM 4384 C C4 . NAG P 3 . ? 58.594 -5.192 -23.784 1.00 50.91 ? 301 NAG C C4 1 HETATM 4385 C C5 . NAG P 3 . ? 59.424 -4.792 -22.550 1.00 49.99 ? 301 NAG C C5 1 HETATM 4386 C C6 . NAG P 3 . ? 60.103 -3.431 -22.713 1.00 51.20 ? 301 NAG C C6 1 HETATM 4387 C C7 . NAG P 3 . ? 55.285 -8.125 -21.886 1.00 44.39 ? 301 NAG C C7 1 HETATM 4388 C C8 . NAG P 3 . ? 54.976 -9.589 -21.765 1.00 43.83 ? 301 NAG C C8 1 HETATM 4389 N N2 . NAG P 3 . ? 56.578 -7.797 -21.848 1.00 45.34 ? 301 NAG C N2 1 HETATM 4390 O O3 . NAG P 3 . ? 56.758 -6.552 -24.524 1.00 49.52 ? 301 NAG C O3 1 HETATM 4391 O O4 . NAG P 3 . ? 59.420 -5.439 -24.915 1.00 54.53 ? 301 NAG C O4 1 HETATM 4392 O O5 . NAG P 3 . ? 58.599 -4.746 -21.395 1.00 46.66 ? 301 NAG C O5 1 HETATM 4393 O O6 . NAG P 3 . ? 59.116 -2.437 -22.892 1.00 53.24 ? 301 NAG C O6 1 HETATM 4394 O O7 . NAG P 3 . ? 54.371 -7.307 -22.006 1.00 43.94 ? 301 NAG C O7 1 HETATM 4395 C C1 . NAG Q 3 . ? 59.361 -4.364 -25.890 1.00 57.20 ? 302 NAG C C1 1 HETATM 4396 C C2 . NAG Q 3 . ? 60.354 -4.667 -27.022 1.00 58.38 ? 302 NAG C C2 1 HETATM 4397 C C3 . NAG Q 3 . ? 60.042 -3.982 -28.356 1.00 59.06 ? 302 NAG C C3 1 HETATM 4398 C C4 . NAG Q 3 . ? 58.553 -3.820 -28.701 1.00 59.41 ? 302 NAG C C4 1 HETATM 4399 C C5 . NAG Q 3 . ? 57.563 -4.246 -27.606 1.00 59.21 ? 302 NAG C C5 1 HETATM 4400 C C6 . NAG Q 3 . ? 57.083 -5.692 -27.783 1.00 59.72 ? 302 NAG C C6 1 HETATM 4401 C C7 . NAG Q 3 . ? 62.468 -4.982 -25.760 1.00 59.54 ? 302 NAG C C7 1 HETATM 4402 C C8 . NAG Q 3 . ? 63.568 -4.209 -25.092 1.00 59.68 ? 302 NAG C C8 1 HETATM 4403 N N2 . NAG Q 3 . ? 61.704 -4.291 -26.614 1.00 58.96 ? 302 NAG C N2 1 HETATM 4404 O O3 . NAG Q 3 . ? 60.669 -4.716 -29.392 1.00 59.30 ? 302 NAG C O3 1 HETATM 4405 O O4 . NAG Q 3 . ? 58.296 -2.477 -29.059 1.00 59.67 ? 302 NAG C O4 1 HETATM 4406 O O5 . NAG Q 3 . ? 58.035 -4.000 -26.284 1.00 58.33 ? 302 NAG C O5 1 HETATM 4407 O O6 . NAG Q 3 . ? 55.793 -5.698 -28.356 1.00 59.93 ? 302 NAG C O6 1 HETATM 4408 O O7 . NAG Q 3 . ? 62.319 -6.180 -25.504 1.00 60.11 ? 302 NAG C O7 1 HETATM 4409 C C1 . BMA R 4 . ? 59.722 -1.232 -23.398 1.00 55.06 ? 303 BMA C C1 1 HETATM 4410 C C2 . BMA R 4 . ? 58.668 -0.409 -24.160 1.00 56.10 ? 303 BMA C C2 1 HETATM 4411 C C3 . BMA R 4 . ? 57.727 0.380 -23.241 1.00 56.46 ? 303 BMA C C3 1 HETATM 4412 C C4 . BMA R 4 . ? 58.441 0.905 -21.998 1.00 56.35 ? 303 BMA C C4 1 HETATM 4413 C C5 . BMA R 4 . ? 59.959 0.852 -22.184 1.00 56.05 ? 303 BMA C C5 1 HETATM 4414 C C6 . BMA R 4 . ? 60.694 1.482 -21.000 1.00 56.05 ? 303 BMA C C6 1 HETATM 4415 O O2 . BMA R 4 . ? 57.905 -1.245 -25.011 1.00 56.95 ? 303 BMA C O2 1 HETATM 4416 O O3 . BMA R 4 . ? 56.639 -0.428 -22.849 1.00 57.28 ? 303 BMA C O3 1 HETATM 4417 O O4 . BMA R 4 . ? 58.012 2.224 -21.745 1.00 57.12 ? 303 BMA C O4 1 HETATM 4418 O O5 . BMA R 4 . ? 60.385 -0.489 -22.381 1.00 55.49 ? 303 BMA C O5 1 HETATM 4419 O O6 . BMA R 4 . ? 61.886 0.784 -20.706 1.00 56.13 ? 303 BMA C O6 1 HETATM 4420 S S . SO4 S 5 . ? 33.090 -3.559 -2.936 1.00 81.83 ? 6 SO4 C S 1 HETATM 4421 O O1 . SO4 S 5 . ? 33.532 -3.353 -4.312 1.00 81.75 ? 6 SO4 C O1 1 HETATM 4422 O O2 . SO4 S 5 . ? 31.923 -4.440 -2.917 1.00 81.99 ? 6 SO4 C O2 1 HETATM 4423 O O3 . SO4 S 5 . ? 34.177 -4.165 -2.172 1.00 81.97 ? 6 SO4 C O3 1 HETATM 4424 O O4 . SO4 S 5 . ? 32.731 -2.275 -2.337 1.00 82.00 ? 6 SO4 C O4 1 HETATM 4425 S S . SO4 T 5 . ? 46.347 -10.198 19.956 1.00 64.21 ? 7 SO4 C S 1 HETATM 4426 O O1 . SO4 T 5 . ? 46.881 -10.193 18.598 1.00 63.85 ? 7 SO4 C O1 1 HETATM 4427 O O2 . SO4 T 5 . ? 45.184 -11.080 20.026 1.00 64.32 ? 7 SO4 C O2 1 HETATM 4428 O O3 . SO4 T 5 . ? 47.385 -10.672 20.871 1.00 64.15 ? 7 SO4 C O3 1 HETATM 4429 O O4 . SO4 T 5 . ? 45.946 -8.841 20.323 1.00 64.11 ? 7 SO4 C O4 1 HETATM 4430 S S . SO4 U 5 . ? 45.875 -13.666 -18.938 1.00 63.20 ? 8 SO4 C S 1 HETATM 4431 O O1 . SO4 U 5 . ? 46.540 -14.946 -19.173 1.00 63.19 ? 8 SO4 C O1 1 HETATM 4432 O O2 . SO4 U 5 . ? 45.473 -13.093 -20.224 1.00 63.25 ? 8 SO4 C O2 1 HETATM 4433 O O3 . SO4 U 5 . ? 44.699 -13.889 -18.095 1.00 63.20 ? 8 SO4 C O3 1 HETATM 4434 O O4 . SO4 U 5 . ? 46.791 -12.742 -18.275 1.00 62.71 ? 8 SO4 C O4 1 HETATM 4435 O O . HOH V 6 . ? 8.998 -4.115 5.336 1.00 13.31 ? 2 HOH A O 1 HETATM 4436 O O . HOH V 6 . ? 13.810 2.971 10.996 1.00 13.94 ? 3 HOH A O 1 HETATM 4437 O O . HOH V 6 . ? 18.900 -6.395 22.974 1.00 11.87 ? 6 HOH A O 1 HETATM 4438 O O . HOH V 6 . ? 24.982 2.819 -0.914 1.00 13.08 ? 11 HOH A O 1 HETATM 4439 O O . HOH V 6 . ? 37.455 3.664 16.024 1.00 11.39 ? 17 HOH A O 1 HETATM 4440 O O . HOH V 6 . ? 30.601 -8.224 16.113 1.00 16.99 ? 18 HOH A O 1 HETATM 4441 O O . HOH V 6 . ? 19.757 -9.536 5.316 1.00 18.41 ? 25 HOH A O 1 HETATM 4442 O O . HOH V 6 . ? 17.504 -7.852 1.912 1.00 16.01 ? 26 HOH A O 1 HETATM 4443 O O . HOH V 6 . ? 10.032 3.107 1.481 1.00 20.65 ? 29 HOH A O 1 HETATM 4444 O O . HOH V 6 . ? 32.570 14.899 9.622 1.00 11.63 ? 30 HOH A O 1 HETATM 4445 O O . HOH V 6 . ? 19.556 -7.532 7.023 1.00 15.63 ? 34 HOH A O 1 HETATM 4446 O O . HOH V 6 . ? 11.453 -1.430 16.066 1.00 17.69 ? 35 HOH A O 1 HETATM 4447 O O . HOH V 6 . ? 17.568 7.773 10.423 1.00 15.98 ? 36 HOH A O 1 HETATM 4448 O O . HOH V 6 . ? 12.320 -12.255 8.912 1.00 15.24 ? 37 HOH A O 1 HETATM 4449 O O . HOH V 6 . ? 37.611 15.447 4.293 1.00 18.29 ? 42 HOH A O 1 HETATM 4450 O O . HOH V 6 . ? 16.051 -10.182 2.295 1.00 14.58 ? 45 HOH A O 1 HETATM 4451 O O . HOH V 6 . ? 12.470 18.626 5.699 1.00 16.87 ? 47 HOH A O 1 HETATM 4452 O O . HOH V 6 . ? 21.177 -18.247 17.430 1.00 28.16 ? 52 HOH A O 1 HETATM 4453 O O . HOH V 6 . ? 22.554 -3.163 -3.268 1.00 24.74 ? 54 HOH A O 1 HETATM 4454 O O . HOH V 6 . ? 17.597 10.247 -5.819 1.00 18.46 ? 56 HOH A O 1 HETATM 4455 O O . HOH V 6 . ? 31.436 -11.929 18.455 1.00 21.83 ? 59 HOH A O 1 HETATM 4456 O O . HOH V 6 . ? 23.930 15.252 21.482 1.00 28.37 ? 60 HOH A O 1 HETATM 4457 O O . HOH V 6 . ? 21.130 15.736 -8.166 1.00 17.38 ? 63 HOH A O 1 HETATM 4458 O O . HOH V 6 . ? 12.600 -10.473 23.176 1.00 19.95 ? 68 HOH A O 1 HETATM 4459 O O . HOH V 6 . ? 39.300 4.190 19.143 1.00 18.23 ? 72 HOH A O 1 HETATM 4460 O O . HOH V 6 . ? 42.527 -1.869 17.209 1.00 23.57 ? 73 HOH A O 1 HETATM 4461 O O . HOH V 6 . ? 25.610 -1.150 26.491 1.00 26.04 ? 76 HOH A O 1 HETATM 4462 O O . HOH V 6 . ? 18.171 19.995 0.014 1.00 29.11 ? 78 HOH A O 1 HETATM 4463 O O . HOH V 6 . ? 18.212 14.774 7.775 1.00 12.92 ? 258 HOH A O 1 HETATM 4464 O O . HOH V 6 . ? 36.935 -1.512 23.022 1.00 27.80 ? 259 HOH A O 1 HETATM 4465 O O . HOH V 6 . ? 31.104 2.232 24.127 1.00 37.60 ? 260 HOH A O 1 HETATM 4466 O O . HOH V 6 . ? 26.306 -9.622 7.091 1.00 35.50 ? 261 HOH A O 1 HETATM 4467 O O . HOH V 6 . ? 33.350 9.667 17.854 1.00 13.07 ? 262 HOH A O 1 HETATM 4468 O O . HOH V 6 . ? 8.426 2.014 -0.507 1.00 31.26 ? 263 HOH A O 1 HETATM 4469 O O . HOH V 6 . ? 20.622 18.139 14.035 1.00 29.59 ? 264 HOH A O 1 HETATM 4470 O O . HOH V 6 . ? 12.959 15.555 -1.674 1.00 30.95 ? 265 HOH A O 1 HETATM 4471 O O . HOH V 6 . ? 32.405 -9.328 17.663 1.00 21.05 ? 266 HOH A O 1 HETATM 4472 O O . HOH V 6 . ? 29.389 -9.021 10.943 1.00 27.92 ? 267 HOH A O 1 HETATM 4473 O O . HOH V 6 . ? 33.842 1.659 23.291 1.00 39.49 ? 268 HOH A O 1 HETATM 4474 O O . HOH V 6 . ? 26.844 19.357 8.950 1.00 16.18 ? 269 HOH A O 1 HETATM 4475 O O . HOH V 6 . ? 35.289 5.775 1.414 1.00 25.20 ? 270 HOH A O 1 HETATM 4476 O O . HOH V 6 . ? 34.867 2.056 -3.531 1.00 27.08 ? 271 HOH A O 1 HETATM 4477 O O . HOH V 6 . ? 15.878 17.419 14.358 1.00 41.04 ? 272 HOH A O 1 HETATM 4478 O O . HOH V 6 . ? 22.443 -10.641 5.690 1.00 20.85 ? 273 HOH A O 1 HETATM 4479 O O . HOH V 6 . ? 39.133 13.231 6.432 1.00 42.69 ? 274 HOH A O 1 HETATM 4480 O O . HOH V 6 . ? 21.526 20.551 11.773 1.00 30.73 ? 275 HOH A O 1 HETATM 4481 O O . HOH V 6 . ? 13.978 -3.972 -2.883 1.00 36.97 ? 276 HOH A O 1 HETATM 4482 O O . HOH V 6 . ? 20.718 -10.055 24.009 1.00 18.87 ? 277 HOH A O 1 HETATM 4483 O O . HOH V 6 . ? 10.620 16.516 5.707 1.00 28.40 ? 278 HOH A O 1 HETATM 4484 O O . HOH V 6 . ? 41.839 6.344 7.732 1.00 27.10 ? 279 HOH A O 1 HETATM 4485 O O . HOH V 6 . ? 36.518 4.844 21.979 1.00 23.11 ? 280 HOH A O 1 HETATM 4486 O O . HOH V 6 . ? 13.725 5.420 12.187 1.00 18.05 ? 281 HOH A O 1 HETATM 4487 O O . HOH V 6 . ? 28.289 19.609 6.713 1.00 32.52 ? 282 HOH A O 1 HETATM 4488 O O . HOH V 6 . ? 28.065 -7.935 0.412 1.00 40.47 ? 283 HOH A O 1 HETATM 4489 O O . HOH V 6 . ? 40.437 7.635 18.762 1.00 35.40 ? 284 HOH A O 1 HETATM 4490 O O . HOH V 6 . ? 19.297 3.418 24.981 1.00 25.04 ? 285 HOH A O 1 HETATM 4491 O O . HOH V 6 . ? 14.367 -0.010 23.485 1.00 20.34 ? 286 HOH A O 1 HETATM 4492 O O . HOH V 6 . ? 21.295 -7.969 26.920 1.00 26.34 ? 287 HOH A O 1 HETATM 4493 O O . HOH V 6 . ? 27.207 2.960 -2.746 1.00 24.76 ? 288 HOH A O 1 HETATM 4494 O O . HOH V 6 . ? 24.666 -12.999 21.561 1.00 25.50 ? 289 HOH A O 1 HETATM 4495 O O . HOH V 6 . ? 20.804 -16.639 22.067 1.00 36.09 ? 290 HOH A O 1 HETATM 4496 O O . HOH V 6 . ? 19.367 19.292 -9.752 1.00 24.14 ? 291 HOH A O 1 HETATM 4497 O O . HOH V 6 . ? 43.683 0.135 12.189 1.00 23.48 ? 292 HOH A O 1 HETATM 4498 O O . HOH V 6 . ? 18.137 14.011 -5.621 1.00 20.39 ? 293 HOH A O 1 HETATM 4499 O O . HOH V 6 . ? 15.513 3.116 22.717 1.00 42.77 ? 294 HOH A O 1 HETATM 4500 O O . HOH V 6 . ? 26.991 -8.285 4.683 1.00 27.78 ? 295 HOH A O 1 HETATM 4501 O O . HOH V 6 . ? 20.469 18.969 0.427 1.00 27.01 ? 296 HOH A O 1 HETATM 4502 O O . HOH V 6 . ? 9.559 7.551 17.571 1.00 33.32 ? 297 HOH A O 1 HETATM 4503 O O . HOH V 6 . ? 33.175 -5.751 26.522 1.00 31.21 ? 298 HOH A O 1 HETATM 4504 O O . HOH V 6 . ? 26.748 19.431 4.196 1.00 29.63 ? 299 HOH A O 1 HETATM 4505 O O . HOH V 6 . ? 15.713 -12.822 19.510 1.00 28.14 ? 300 HOH A O 1 HETATM 4506 O O . HOH V 6 . ? 24.132 20.226 4.257 1.00 29.32 ? 304 HOH A O 1 HETATM 4507 O O . HOH V 6 . ? 8.341 1.520 6.150 1.00 25.40 ? 305 HOH A O 1 HETATM 4508 O O . HOH V 6 . ? 10.199 6.034 9.818 1.00 30.31 ? 306 HOH A O 1 HETATM 4509 O O . HOH V 6 . ? 31.419 -10.100 12.223 1.00 28.40 ? 307 HOH A O 1 HETATM 4510 O O . HOH V 6 . ? 33.365 13.518 0.422 1.00 29.85 ? 308 HOH A O 1 HETATM 4511 O O . HOH V 6 . ? 28.006 -10.574 8.819 1.00 37.07 ? 309 HOH A O 1 HETATM 4512 O O . HOH V 6 . ? 9.020 -2.345 15.405 1.00 31.82 ? 310 HOH A O 1 HETATM 4513 O O . HOH V 6 . ? 27.469 -11.484 24.275 1.00 25.65 ? 311 HOH A O 1 HETATM 4514 O O . HOH V 6 . ? 20.179 -10.915 28.365 1.00 33.88 ? 312 HOH A O 1 HETATM 4515 O O . HOH V 6 . ? 9.013 -0.676 11.235 1.00 31.84 ? 313 HOH A O 1 HETATM 4516 O O . HOH V 6 . ? 20.061 -12.522 2.365 1.00 35.83 ? 314 HOH A O 1 HETATM 4517 O O . HOH V 6 . ? 39.627 0.834 21.945 1.00 43.80 ? 315 HOH A O 1 HETATM 4518 O O . HOH V 6 . ? 38.449 7.228 5.680 1.00 35.46 ? 316 HOH A O 1 HETATM 4519 O O . HOH V 6 . ? 6.385 -9.572 -0.695 1.00 30.30 ? 317 HOH A O 1 HETATM 4520 O O . HOH V 6 . ? 27.073 -6.427 -1.598 1.00 38.33 ? 318 HOH A O 1 HETATM 4521 O O . HOH V 6 . ? 39.444 2.751 5.201 1.00 32.71 ? 319 HOH A O 1 HETATM 4522 O O . HOH V 6 . ? 15.126 25.182 8.361 1.00 20.64 ? 321 HOH A O 1 HETATM 4523 O O . HOH V 6 . ? 19.424 16.570 16.808 1.00 38.41 ? 322 HOH A O 1 HETATM 4524 O O . HOH V 6 . ? 8.958 -13.449 15.519 1.00 45.42 ? 323 HOH A O 1 HETATM 4525 O O . HOH V 6 . ? 37.716 13.504 13.763 1.00 29.15 ? 324 HOH A O 1 HETATM 4526 O O . HOH V 6 . ? 11.459 14.001 5.450 1.00 26.45 ? 325 HOH A O 1 HETATM 4527 O O . HOH V 6 . ? 40.637 13.287 14.240 1.00 33.34 ? 326 HOH A O 1 HETATM 4528 O O . HOH V 6 . ? 22.764 -1.381 -5.528 1.00 37.83 ? 327 HOH A O 1 HETATM 4529 O O . HOH V 6 . ? 33.012 17.944 18.874 1.00 48.37 ? 328 HOH A O 1 HETATM 4530 O O . HOH V 6 . ? 13.162 2.078 20.331 1.00 36.79 ? 329 HOH A O 1 HETATM 4531 O O . HOH V 6 . ? 20.399 13.302 21.649 1.00 35.84 ? 330 HOH A O 1 HETATM 4532 O O . HOH V 6 . ? 20.572 23.398 4.203 1.00 29.22 ? 331 HOH A O 1 HETATM 4533 O O . HOH V 6 . ? 23.950 -10.393 7.711 1.00 29.86 ? 332 HOH A O 1 HETATM 4534 O O . HOH V 6 . ? 45.209 3.860 14.271 1.00 33.52 ? 333 HOH A O 1 HETATM 4535 O O . HOH V 6 . ? 45.502 -1.424 13.745 1.00 38.28 ? 334 HOH A O 1 HETATM 4536 O O . HOH V 6 . ? 5.333 -5.854 0.151 1.00 40.76 ? 335 HOH A O 1 HETATM 4537 O O . HOH V 6 . ? 27.792 12.172 -9.139 1.00 25.27 ? 336 HOH A O 1 HETATM 4538 O O . HOH V 6 . ? 16.406 -6.614 -0.471 1.00 34.58 ? 337 HOH A O 1 HETATM 4539 O O . HOH V 6 . ? 18.465 -11.171 3.657 1.00 26.92 ? 338 HOH A O 1 HETATM 4540 O O . HOH V 6 . ? 34.297 -9.565 15.831 1.00 18.97 ? 339 HOH A O 1 HETATM 4541 O O . HOH V 6 . ? 30.344 -13.092 26.971 1.00 41.35 ? 340 HOH A O 1 HETATM 4542 O O . HOH V 6 . ? 19.342 17.462 -7.690 1.00 32.93 ? 341 HOH A O 1 HETATM 4543 O O . HOH V 6 . ? 24.142 -16.469 25.436 1.00 41.89 ? 342 HOH A O 1 HETATM 4544 O O . HOH V 6 . ? 43.788 -0.365 14.864 1.00 46.25 ? 343 HOH A O 1 HETATM 4545 O O . HOH V 6 . ? 29.613 0.914 0.069 1.00 25.84 ? 344 HOH A O 1 HETATM 4546 O O . HOH V 6 . ? 18.957 7.170 20.912 1.00 40.38 ? 345 HOH A O 1 HETATM 4547 O O . HOH V 6 . ? 16.851 8.896 19.722 1.00 28.59 ? 346 HOH A O 1 HETATM 4548 O O . HOH V 6 . ? 10.444 9.045 -3.270 1.00 32.56 ? 347 HOH A O 1 HETATM 4549 O O . HOH V 6 . ? 11.263 9.412 18.359 1.00 41.84 ? 348 HOH A O 1 HETATM 4550 O O . HOH V 6 . ? 14.376 21.702 1.294 1.00 32.70 ? 349 HOH A O 1 HETATM 4551 O O . HOH V 6 . ? 30.351 -0.309 24.675 1.00 36.49 ? 350 HOH A O 1 HETATM 4552 O O . HOH V 6 . ? 13.000 -14.286 12.737 1.00 28.83 ? 351 HOH A O 1 HETATM 4553 O O . HOH V 6 . ? 34.419 6.105 -2.061 1.00 33.51 ? 352 HOH A O 1 HETATM 4554 O O . HOH V 6 . ? 30.642 18.812 6.717 1.00 32.02 ? 353 HOH A O 1 HETATM 4555 O O . HOH V 6 . ? 32.680 20.276 5.999 1.00 26.85 ? 354 HOH A O 1 HETATM 4556 O O . HOH V 6 . ? 25.197 -0.917 -6.355 1.00 34.57 ? 355 HOH A O 1 HETATM 4557 O O . HOH V 6 . ? 8.028 -11.781 6.299 1.00 39.16 ? 356 HOH A O 1 HETATM 4558 O O . HOH V 6 . ? 18.024 -1.223 -6.905 1.00 33.69 ? 357 HOH A O 1 HETATM 4559 O O . HOH V 6 . ? 15.664 -11.757 -0.261 1.00 38.52 ? 358 HOH A O 1 HETATM 4560 O O . HOH V 6 . ? 23.066 -6.101 27.648 1.00 43.24 ? 359 HOH A O 1 HETATM 4561 O O . HOH V 6 . ? 6.408 -3.968 2.541 1.00 35.48 ? 360 HOH A O 1 HETATM 4562 O O . HOH V 6 . ? 23.261 5.231 23.793 1.00 49.51 ? 361 HOH A O 1 HETATM 4563 O O . HOH V 6 . ? 22.259 19.141 19.468 1.00 45.81 ? 362 HOH A O 1 HETATM 4564 O O . HOH V 6 . ? 22.866 -10.856 30.804 1.00 33.78 ? 363 HOH A O 1 HETATM 4565 O O . HOH V 6 . ? 21.661 -8.569 0.956 1.00 43.00 ? 364 HOH A O 1 HETATM 4566 O O . HOH V 6 . ? 14.845 7.026 -5.359 1.00 39.26 ? 365 HOH A O 1 HETATM 4567 O O . HOH V 6 . ? 16.484 19.191 -1.680 1.00 30.24 ? 366 HOH A O 1 HETATM 4568 O O . HOH V 6 . ? 34.325 -13.052 18.111 1.00 41.41 ? 367 HOH A O 1 HETATM 4569 O O . HOH V 6 . ? 17.655 -6.193 -2.847 1.00 44.88 ? 368 HOH A O 1 HETATM 4570 O O . HOH V 6 . ? 37.887 3.043 3.285 1.00 50.87 ? 373 HOH A O 1 HETATM 4571 O O . HOH V 6 . ? 29.270 -5.779 -5.867 1.00 46.59 ? 375 HOH A O 1 HETATM 4572 O O . HOH V 6 . ? 27.893 -15.816 25.123 1.00 35.89 ? 380 HOH A O 1 HETATM 4573 O O . HOH V 6 . ? 5.444 -0.916 16.579 1.00 49.33 ? 388 HOH A O 1 HETATM 4574 O O . HOH V 6 . ? 9.062 1.749 12.456 1.00 45.32 ? 392 HOH A O 1 HETATM 4575 O O . HOH V 6 . ? 18.552 22.750 -0.386 1.00 47.39 ? 394 HOH A O 1 HETATM 4576 O O . HOH V 6 . ? 20.559 -5.112 -3.702 1.00 41.79 ? 395 HOH A O 1 HETATM 4577 O O . HOH V 6 . ? 27.755 3.760 24.902 1.00 35.71 ? 396 HOH A O 1 HETATM 4578 O O . HOH V 6 . ? 6.676 -9.838 7.772 1.00 36.69 ? 398 HOH A O 1 HETATM 4579 O O . HOH V 6 . ? 9.268 9.999 16.624 1.00 51.11 ? 402 HOH A O 1 HETATM 4580 O O . HOH V 6 . ? 10.827 3.988 13.700 1.00 44.31 ? 403 HOH A O 1 HETATM 4581 O O . HOH V 6 . ? 24.858 20.858 15.872 1.00 36.55 ? 412 HOH A O 1 HETATM 4582 O O . HOH V 6 . ? 39.876 3.190 21.537 1.00 48.79 ? 415 HOH A O 1 HETATM 4583 O O . HOH V 6 . ? 17.004 17.133 18.410 1.00 42.31 ? 416 HOH A O 1 HETATM 4584 O O . HOH V 6 . ? 23.435 -2.708 27.606 1.00 38.17 ? 421 HOH A O 1 HETATM 4585 O O . HOH V 6 . ? 37.192 4.775 24.728 1.00 48.74 ? 425 HOH A O 1 HETATM 4586 O O . HOH V 6 . ? 19.135 21.805 11.553 1.00 40.48 ? 426 HOH A O 1 HETATM 4587 O O . HOH V 6 . ? 27.052 -14.634 15.109 1.00 45.06 ? 431 HOH A O 1 HETATM 4588 O O . HOH V 6 . ? 32.534 22.413 7.696 1.00 39.91 ? 432 HOH A O 1 HETATM 4589 O O . HOH V 6 . ? 26.387 4.410 -7.828 1.00 42.20 ? 434 HOH A O 1 HETATM 4590 O O . HOH V 6 . ? 32.463 7.392 -0.648 1.00 39.94 ? 436 HOH A O 1 HETATM 4591 O O . HOH V 6 . ? 32.530 -11.770 27.785 1.00 49.02 ? 437 HOH A O 1 HETATM 4592 O O . HOH V 6 . ? 13.206 23.986 3.692 1.00 35.61 ? 445 HOH A O 1 HETATM 4593 O O . HOH V 6 . ? 26.701 8.115 19.732 1.00 32.00 ? 451 HOH A O 1 HETATM 4594 O O . HOH V 6 . ? 26.283 -15.469 11.387 1.00 36.08 ? 461 HOH A O 1 HETATM 4595 O O . HOH V 6 . ? 39.420 24.750 5.719 1.00 55.20 ? 465 HOH A O 1 HETATM 4596 O O . HOH V 6 . ? 32.792 21.303 14.292 1.00 42.28 ? 469 HOH A O 1 HETATM 4597 O O . HOH V 6 . ? 36.330 20.429 14.912 1.00 49.09 ? 472 HOH A O 1 HETATM 4598 O O . HOH V 6 . ? 12.847 24.873 1.295 1.00 59.65 ? 476 HOH A O 1 HETATM 4599 O O . HOH V 6 . ? 22.854 19.402 16.009 1.00 37.57 ? 479 HOH A O 1 HETATM 4600 O O . HOH V 6 . ? 24.725 -18.403 27.494 1.00 39.60 ? 481 HOH A O 1 HETATM 4601 O O . HOH V 6 . ? 36.353 14.443 23.716 1.00 41.89 ? 485 HOH A O 1 HETATM 4602 O O . HOH V 6 . ? 15.607 0.023 -10.711 1.00 47.39 ? 489 HOH A O 1 HETATM 4603 O O . HOH V 6 . ? 7.192 -1.097 9.643 1.00 45.16 ? 490 HOH A O 1 HETATM 4604 O O . HOH V 6 . ? 35.007 18.144 16.384 1.00 41.00 ? 496 HOH A O 1 HETATM 4605 O O . HOH V 6 . ? 27.089 -11.761 3.402 1.00 43.38 ? 500 HOH A O 1 HETATM 4606 O O . HOH V 6 . ? 9.830 16.484 -0.106 1.00 44.37 ? 501 HOH A O 1 HETATM 4607 O O . HOH V 6 . ? 15.114 3.867 20.304 1.00 43.18 ? 505 HOH A O 1 HETATM 4608 O O . HOH V 6 . ? 17.268 5.148 21.243 1.00 43.52 ? 506 HOH A O 1 HETATM 4609 O O . HOH V 6 . ? 25.534 4.780 21.157 1.00 29.71 ? 507 HOH A O 1 HETATM 4610 O O . HOH V 6 . ? 13.168 -5.891 21.050 1.00 36.06 ? 508 HOH A O 1 HETATM 4611 O O . HOH V 6 . ? 22.616 1.582 26.553 1.00 47.69 ? 509 HOH A O 1 HETATM 4612 O O . HOH V 6 . ? 39.057 16.507 17.081 1.00 39.34 ? 510 HOH A O 1 HETATM 4613 O O . HOH V 6 . ? 36.621 21.225 8.478 1.00 30.94 ? 511 HOH A O 1 HETATM 4614 O O . HOH V 6 . ? 40.819 10.067 10.722 1.00 26.95 ? 513 HOH A O 1 HETATM 4615 O O . HOH V 6 . ? 6.392 14.036 3.302 1.00 37.93 ? 518 HOH A O 1 HETATM 4616 O O . HOH V 6 . ? 27.014 16.489 -7.906 1.00 20.69 ? 519 HOH A O 1 HETATM 4617 O O . HOH V 6 . ? 11.083 9.270 3.116 1.00 30.04 ? 531 HOH A O 1 HETATM 4618 O O . HOH V 6 . ? 10.617 12.357 8.274 1.00 39.41 ? 532 HOH A O 1 HETATM 4619 O O . HOH V 6 . ? 15.644 7.477 12.129 1.00 19.98 ? 533 HOH A O 1 HETATM 4620 O O . HOH V 6 . ? 12.827 -1.884 21.967 1.00 39.82 ? 534 HOH A O 1 HETATM 4621 O O . HOH V 6 . ? 11.319 -9.540 18.123 1.00 30.64 ? 535 HOH A O 1 HETATM 4622 O O . HOH V 6 . ? 29.251 -14.482 30.378 1.00 39.50 ? 536 HOH A O 1 HETATM 4623 O O . HOH V 6 . ? 6.707 -2.279 -5.095 1.00 47.86 ? 537 HOH A O 1 HETATM 4624 O O . HOH V 6 . ? 31.971 -2.879 6.241 1.00 42.13 ? 540 HOH A O 1 HETATM 4625 O O . HOH V 6 . ? 42.114 9.353 16.632 1.00 36.46 ? 541 HOH A O 1 HETATM 4626 O O . HOH V 6 . ? 27.446 -5.075 29.203 1.00 48.29 ? 542 HOH A O 1 HETATM 4627 O O . HOH V 6 . ? 17.966 9.387 -8.692 1.00 41.26 ? 543 HOH A O 1 HETATM 4628 O O . HOH V 6 . ? 8.497 -1.640 -0.257 1.00 44.33 ? 544 HOH A O 1 HETATM 4629 O O . HOH V 6 . ? 22.549 25.750 5.835 1.00 41.55 ? 547 HOH A O 1 HETATM 4630 O O . HOH V 6 . ? 20.458 27.138 3.986 1.00 49.41 ? 548 HOH A O 1 HETATM 4631 O O . HOH V 6 . ? 6.285 3.617 5.171 1.00 37.59 ? 549 HOH A O 1 HETATM 4632 O O . HOH V 6 . ? 41.842 12.512 19.790 1.00 39.89 ? 550 HOH A O 1 HETATM 4633 O O . HOH V 6 . ? 38.279 16.960 20.776 1.00 50.63 ? 551 HOH A O 1 HETATM 4634 O O . HOH V 6 . ? 39.960 19.866 6.236 1.00 42.98 ? 552 HOH A O 1 HETATM 4635 O O . HOH V 6 . ? 27.713 -13.746 26.677 1.00 41.71 ? 553 HOH A O 1 HETATM 4636 O O . HOH V 6 . ? 32.879 -7.410 19.747 1.00 38.26 ? 554 HOH A O 1 HETATM 4637 O O . HOH V 6 . ? 7.851 -0.994 7.349 1.00 41.43 ? 557 HOH A O 1 HETATM 4638 O O . HOH V 6 . ? 3.462 -5.601 9.331 1.00 44.45 ? 558 HOH A O 1 HETATM 4639 O O . HOH V 6 . ? 13.561 -15.077 16.813 1.00 43.66 ? 559 HOH A O 1 HETATM 4640 O O . HOH V 6 . ? 19.966 -8.098 3.052 1.00 45.26 ? 560 HOH A O 1 HETATM 4641 O O . HOH V 6 . ? 7.809 10.405 -1.181 1.00 58.62 ? 561 HOH A O 1 HETATM 4642 O O . HOH V 6 . ? 13.816 13.284 -4.611 1.00 39.97 ? 562 HOH A O 1 HETATM 4643 O O . HOH V 6 . ? 26.590 10.163 -6.037 1.00 28.82 ? 568 HOH A O 1 HETATM 4644 O O . HOH V 6 . ? 11.223 26.805 -0.788 1.00 44.31 ? 571 HOH A O 1 HETATM 4645 O O . HOH V 6 . ? 12.141 -10.058 20.548 1.00 44.65 ? 576 HOH A O 1 HETATM 4646 O O . HOH V 6 . ? 7.879 7.970 3.589 1.00 48.36 ? 589 HOH A O 1 HETATM 4647 O O . HOH V 6 . ? 29.705 18.668 21.475 1.00 39.33 ? 590 HOH A O 1 HETATM 4648 O O . HOH V 6 . ? 31.050 19.584 18.860 1.00 36.96 ? 591 HOH A O 1 HETATM 4649 O O . HOH V 6 . ? 10.358 -2.289 23.034 1.00 46.79 ? 592 HOH A O 1 HETATM 4650 O O . HOH V 6 . ? 34.544 16.362 22.582 1.00 41.30 ? 593 HOH A O 1 HETATM 4651 O O . HOH V 6 . ? 41.648 14.514 16.229 1.00 41.42 ? 594 HOH A O 1 HETATM 4652 O O . HOH V 6 . ? 37.186 20.240 6.038 1.00 44.72 ? 595 HOH A O 1 HETATM 4653 O O . HOH V 6 . ? 38.317 3.956 6.741 1.00 44.40 ? 597 HOH A O 1 HETATM 4654 O O . HOH V 6 . ? 39.194 5.182 3.948 1.00 48.49 ? 598 HOH A O 1 HETATM 4655 O O . HOH V 6 . ? 18.909 -17.617 25.703 1.00 53.92 ? 599 HOH A O 1 HETATM 4656 O O . HOH V 6 . ? 15.758 -4.246 -4.299 1.00 43.90 ? 600 HOH A O 1 HETATM 4657 O O . HOH V 6 . ? 4.560 2.404 -1.917 1.00 49.03 ? 601 HOH A O 1 HETATM 4658 O O . HOH V 6 . ? 11.578 -0.058 18.405 1.00 41.57 ? 621 HOH A O 1 HETATM 4659 O O . HOH V 6 . ? 28.072 11.157 23.305 1.00 31.51 ? 622 HOH A O 1 HETATM 4660 O O . HOH V 6 . ? 42.994 7.386 18.093 1.00 51.18 ? 623 HOH A O 1 HETATM 4661 O O . HOH V 6 . ? 28.775 -18.999 22.940 1.00 38.59 ? 624 HOH A O 1 HETATM 4662 O O . HOH V 6 . ? 35.633 -22.623 23.483 1.00 49.59 ? 625 HOH A O 1 HETATM 4663 O O . HOH V 6 . ? 37.392 -24.850 21.263 1.00 53.18 ? 626 HOH A O 1 HETATM 4664 O O . HOH V 6 . ? 36.330 18.938 19.418 1.00 42.12 ? 627 HOH A O 1 HETATM 4665 O O . HOH V 6 . ? 6.500 -2.638 5.873 1.00 45.07 ? 639 HOH A O 1 HETATM 4666 O O . HOH V 6 . ? 8.050 -3.429 21.417 1.00 47.53 ? 641 HOH A O 1 HETATM 4667 O O . HOH V 6 . ? 25.903 -8.250 30.220 1.00 41.91 ? 642 HOH A O 1 HETATM 4668 O O . HOH V 6 . ? 17.658 -15.326 19.400 1.00 13.93 ? 643 HOH A O 1 HETATM 4669 O O . HOH V 6 . ? 25.188 -10.523 1.881 1.00 53.24 ? 669 HOH A O 1 HETATM 4670 O O . HOH V 6 . ? 45.496 0.699 19.812 1.00 45.84 ? 670 HOH A O 1 HETATM 4671 O O . HOH V 6 . ? 18.559 -16.686 20.639 1.00 37.42 ? 671 HOH A O 1 HETATM 4672 O O . HOH V 6 . ? 31.420 13.536 2.272 1.00 24.23 ? 672 HOH A O 1 HETATM 4673 O O . HOH V 6 . ? 23.094 21.861 2.476 1.00 46.60 ? 673 HOH A O 1 HETATM 4674 O O . HOH V 6 . ? 28.057 1.937 -8.697 1.00 49.87 ? 674 HOH A O 1 HETATM 4675 O O . HOH V 6 . ? 28.931 22.062 15.487 1.00 52.66 ? 675 HOH A O 1 HETATM 4676 O O . HOH V 6 . ? 28.469 8.069 26.267 1.00 51.60 ? 676 HOH A O 1 HETATM 4677 O O . HOH V 6 . ? 43.776 9.907 21.154 1.00 46.25 ? 677 HOH A O 1 HETATM 4678 O O . HOH V 6 . ? 24.325 18.033 21.473 1.00 46.72 ? 678 HOH A O 1 HETATM 4679 O O . HOH V 6 . ? 39.333 11.891 2.798 1.00 35.40 ? 679 HOH A O 1 HETATM 4680 O O . HOH V 6 . ? 43.731 8.577 11.037 1.00 53.29 ? 680 HOH A O 1 HETATM 4681 O O . HOH V 6 . ? 44.778 6.961 14.472 1.00 44.16 ? 681 HOH A O 1 HETATM 4682 O O . HOH V 6 . ? 39.832 -3.657 19.815 1.00 48.37 ? 682 HOH A O 1 HETATM 4683 O O . HOH V 6 . ? 41.987 -4.248 17.359 1.00 42.14 ? 683 HOH A O 1 HETATM 4684 O O . HOH V 6 . ? 33.140 -9.236 28.453 1.00 44.57 ? 684 HOH A O 1 HETATM 4685 O O . HOH V 6 . ? 25.766 -15.707 23.112 1.00 57.72 ? 686 HOH A O 1 HETATM 4686 O O . HOH V 6 . ? 13.294 20.387 -0.775 1.00 54.70 ? 688 HOH A O 1 HETATM 4687 O O . HOH V 6 . ? 32.046 -1.816 -6.233 1.00 35.68 ? 695 HOH A O 1 HETATM 4688 O O . HOH V 6 . ? 26.279 23.309 5.852 1.00 45.70 ? 701 HOH A O 1 HETATM 4689 O O . HOH V 6 . ? 35.805 -19.334 28.950 1.00 51.74 ? 729 HOH A O 1 HETATM 4690 O O . HOH W 6 . ? 44.972 17.244 -8.135 1.00 14.06 ? 8 HOH B O 1 HETATM 4691 O O . HOH W 6 . ? 35.888 3.202 -14.138 1.00 11.98 ? 10 HOH B O 1 HETATM 4692 O O . HOH W 6 . ? 37.806 23.992 -8.840 1.00 10.72 ? 14 HOH B O 1 HETATM 4693 O O . HOH W 6 . ? 28.278 5.088 -30.848 1.00 14.36 ? 15 HOH B O 1 HETATM 4694 O O . HOH W 6 . ? 33.674 12.905 -26.953 1.00 13.71 ? 16 HOH B O 1 HETATM 4695 O O . HOH W 6 . ? 32.298 21.488 -4.416 1.00 15.30 ? 19 HOH B O 1 HETATM 4696 O O . HOH W 6 . ? 45.875 13.373 -22.179 1.00 15.58 ? 21 HOH B O 1 HETATM 4697 O O . HOH W 6 . ? 38.250 13.860 -22.994 1.00 13.99 ? 24 HOH B O 1 HETATM 4698 O O . HOH W 6 . ? 49.565 16.950 -13.860 1.00 19.87 ? 31 HOH B O 1 HETATM 4699 O O . HOH W 6 . ? 30.704 -0.936 -16.199 1.00 22.81 ? 38 HOH B O 1 HETATM 4700 O O . HOH W 6 . ? 20.535 21.729 -9.648 1.00 26.06 ? 39 HOH B O 1 HETATM 4701 O O . HOH W 6 . ? 21.113 17.807 -11.178 1.00 17.23 ? 41 HOH B O 1 HETATM 4702 O O . HOH W 6 . ? 22.900 20.374 -28.967 1.00 21.48 ? 43 HOH B O 1 HETATM 4703 O O . HOH W 6 . ? 18.957 6.790 -27.891 1.00 17.43 ? 46 HOH B O 1 HETATM 4704 O O . HOH W 6 . ? 35.827 14.654 -27.390 1.00 22.42 ? 49 HOH B O 1 HETATM 4705 O O . HOH W 6 . ? 46.656 27.003 -12.025 1.00 26.82 ? 50 HOH B O 1 HETATM 4706 O O . HOH W 6 . ? 24.297 7.478 -20.727 1.00 13.49 ? 53 HOH B O 1 HETATM 4707 O O . HOH W 6 . ? 29.611 17.836 2.437 1.00 23.86 ? 55 HOH B O 1 HETATM 4708 O O . HOH W 6 . ? 49.907 21.311 -3.598 1.00 22.00 ? 57 HOH B O 1 HETATM 4709 O O . HOH W 6 . ? 21.042 23.059 -23.637 1.00 18.90 ? 58 HOH B O 1 HETATM 4710 O O . HOH W 6 . ? 14.608 14.382 -27.316 1.00 23.95 ? 61 HOH B O 1 HETATM 4711 O O . HOH W 6 . ? 28.255 16.570 -29.898 1.00 17.78 ? 62 HOH B O 1 HETATM 4712 O O . HOH W 6 . ? 26.974 15.741 -32.298 1.00 22.87 ? 70 HOH B O 1 HETATM 4713 O O . HOH W 6 . ? 16.628 19.030 -10.765 1.00 23.83 ? 71 HOH B O 1 HETATM 4714 O O . HOH W 6 . ? 44.496 -1.097 -20.422 1.00 24.16 ? 77 HOH B O 1 HETATM 4715 O O . HOH W 6 . ? 22.705 1.691 -23.682 1.00 24.08 ? 257 HOH B O 1 HETATM 4716 O O . HOH W 6 . ? 51.436 15.768 -27.250 1.00 40.64 ? 258 HOH B O 1 HETATM 4717 O O . HOH W 6 . ? 46.470 13.071 -2.222 1.00 17.85 ? 259 HOH B O 1 HETATM 4718 O O . HOH W 6 . ? 14.530 16.904 -26.277 1.00 28.49 ? 260 HOH B O 1 HETATM 4719 O O . HOH W 6 . ? 14.939 21.090 -16.715 1.00 23.65 ? 261 HOH B O 1 HETATM 4720 O O . HOH W 6 . ? 13.157 17.836 -23.781 1.00 28.34 ? 262 HOH B O 1 HETATM 4721 O O . HOH W 6 . ? 37.669 7.686 -4.092 1.00 34.76 ? 263 HOH B O 1 HETATM 4722 O O . HOH W 6 . ? 19.909 13.416 -10.051 1.00 33.85 ? 264 HOH B O 1 HETATM 4723 O O . HOH W 6 . ? 19.551 2.820 -27.438 1.00 27.19 ? 265 HOH B O 1 HETATM 4724 O O . HOH W 6 . ? 21.445 12.397 -11.814 1.00 24.60 ? 266 HOH B O 1 HETATM 4725 O O . HOH W 6 . ? 27.651 17.142 -34.483 1.00 37.39 ? 267 HOH B O 1 HETATM 4726 O O . HOH W 6 . ? 32.119 24.790 -3.085 1.00 17.88 ? 268 HOH B O 1 HETATM 4727 O O . HOH W 6 . ? 33.563 4.396 -9.566 1.00 30.73 ? 269 HOH B O 1 HETATM 4728 O O . HOH W 6 . ? 23.856 13.285 -39.247 1.00 33.47 ? 270 HOH B O 1 HETATM 4729 O O . HOH W 6 . ? 26.497 21.973 0.518 1.00 26.77 ? 271 HOH B O 1 HETATM 4730 O O . HOH W 6 . ? 46.766 -2.319 -9.744 1.00 22.99 ? 272 HOH B O 1 HETATM 4731 O O . HOH W 6 . ? 26.620 0.191 -22.916 1.00 35.40 ? 273 HOH B O 1 HETATM 4732 O O . HOH W 6 . ? 25.310 28.566 -17.676 1.00 26.05 ? 274 HOH B O 1 HETATM 4733 O O . HOH W 6 . ? 51.179 7.211 -19.118 1.00 31.31 ? 275 HOH B O 1 HETATM 4734 O O . HOH W 6 . ? 49.710 10.472 -9.858 1.00 26.54 ? 276 HOH B O 1 HETATM 4735 O O . HOH W 6 . ? 45.896 27.381 -9.514 1.00 38.95 ? 277 HOH B O 1 HETATM 4736 O O . HOH W 6 . ? 16.502 5.726 -27.351 1.00 39.10 ? 278 HOH B O 1 HETATM 4737 O O . HOH W 6 . ? 25.492 28.318 -26.200 1.00 32.76 ? 279 HOH B O 1 HETATM 4738 O O . HOH W 6 . ? 47.346 25.420 -20.165 1.00 31.50 ? 280 HOH B O 1 HETATM 4739 O O . HOH W 6 . ? 24.919 2.455 -21.707 1.00 22.68 ? 281 HOH B O 1 HETATM 4740 O O . HOH W 6 . ? 20.908 28.698 -10.256 1.00 26.42 ? 282 HOH B O 1 HETATM 4741 O O . HOH W 6 . ? 28.012 20.376 2.260 1.00 39.13 ? 283 HOH B O 1 HETATM 4742 O O . HOH W 6 . ? 43.083 0.094 -28.049 1.00 31.77 ? 284 HOH B O 1 HETATM 4743 O O . HOH W 6 . ? 36.257 1.628 -11.380 1.00 35.37 ? 285 HOH B O 1 HETATM 4744 O O . HOH W 6 . ? 48.641 26.134 -13.018 1.00 33.82 ? 286 HOH B O 1 HETATM 4745 O O . HOH W 6 . ? 13.661 26.898 -13.216 1.00 35.19 ? 287 HOH B O 1 HETATM 4746 O O . HOH W 6 . ? 50.879 14.534 -7.494 1.00 27.20 ? 288 HOH B O 1 HETATM 4747 O O . HOH W 6 . ? 33.905 11.274 -0.853 1.00 44.31 ? 289 HOH B O 1 HETATM 4748 O O . HOH W 6 . ? 18.388 7.854 -30.405 1.00 27.91 ? 290 HOH B O 1 HETATM 4749 O O . HOH W 6 . ? 13.892 11.795 -26.682 1.00 37.02 ? 291 HOH B O 1 HETATM 4750 O O . HOH W 6 . ? 37.835 15.273 -25.239 1.00 24.97 ? 292 HOH B O 1 HETATM 4751 O O . HOH W 6 . ? 27.837 24.675 -28.230 1.00 39.16 ? 293 HOH B O 1 HETATM 4752 O O . HOH W 6 . ? 43.299 9.525 -9.803 1.00 23.91 ? 294 HOH B O 1 HETATM 4753 O O . HOH W 6 . ? 26.152 22.107 -29.325 1.00 38.86 ? 295 HOH B O 1 HETATM 4754 O O . HOH W 6 . ? 45.892 31.104 -20.143 1.00 44.66 ? 296 HOH B O 1 HETATM 4755 O O . HOH W 6 . ? 19.161 30.385 -12.362 1.00 35.54 ? 297 HOH B O 1 HETATM 4756 O O . HOH W 6 . ? 18.265 5.507 -23.782 1.00 27.97 ? 298 HOH B O 1 HETATM 4757 O O . HOH W 6 . ? 49.725 23.483 -16.859 1.00 30.45 ? 299 HOH B O 1 HETATM 4758 O O . HOH W 6 . ? 32.174 21.067 3.553 1.00 34.15 ? 300 HOH B O 1 HETATM 4759 O O . HOH W 6 . ? 22.528 25.547 -28.169 1.00 41.65 ? 304 HOH B O 1 HETATM 4760 O O . HOH W 6 . ? 47.790 23.037 -18.911 1.00 34.62 ? 305 HOH B O 1 HETATM 4761 O O . HOH W 6 . ? 53.880 10.699 -16.265 1.00 35.26 ? 306 HOH B O 1 HETATM 4762 O O . HOH W 6 . ? 23.131 29.008 -19.578 1.00 38.23 ? 307 HOH B O 1 HETATM 4763 O O . HOH W 6 . ? 21.498 17.942 -37.623 1.00 34.14 ? 308 HOH B O 1 HETATM 4764 O O . HOH W 6 . ? 30.190 27.618 -23.589 1.00 36.04 ? 309 HOH B O 1 HETATM 4765 O O . HOH W 6 . ? 41.583 6.300 -28.507 1.00 41.28 ? 310 HOH B O 1 HETATM 4766 O O . HOH W 6 . ? 35.932 13.900 0.651 1.00 30.79 ? 311 HOH B O 1 HETATM 4767 O O . HOH W 6 . ? 40.515 13.384 -0.999 1.00 38.00 ? 312 HOH B O 1 HETATM 4768 O O . HOH W 6 . ? 48.421 0.008 -19.718 1.00 21.93 ? 313 HOH B O 1 HETATM 4769 O O . HOH W 6 . ? 37.635 13.028 -2.006 1.00 36.95 ? 314 HOH B O 1 HETATM 4770 O O . HOH W 6 . ? 31.974 27.277 -6.081 1.00 31.06 ? 315 HOH B O 1 HETATM 4771 O O . HOH W 6 . ? 50.313 -1.711 -16.218 1.00 28.39 ? 316 HOH B O 1 HETATM 4772 O O . HOH W 6 . ? 35.982 24.729 -15.458 1.00 43.02 ? 317 HOH B O 1 HETATM 4773 O O . HOH W 6 . ? 27.843 0.098 -34.831 1.00 48.40 ? 318 HOH B O 1 HETATM 4774 O O . HOH W 6 . ? 51.812 12.241 -15.774 1.00 30.96 ? 319 HOH B O 1 HETATM 4775 O O . HOH W 6 . ? 42.283 21.935 -3.558 1.00 34.27 ? 320 HOH B O 1 HETATM 4776 O O . HOH W 6 . ? 41.713 -1.630 -23.261 1.00 33.88 ? 321 HOH B O 1 HETATM 4777 O O . HOH W 6 . ? 47.606 20.431 -20.487 1.00 33.98 ? 322 HOH B O 1 HETATM 4778 O O . HOH W 6 . ? 18.745 22.998 -22.022 1.00 21.93 ? 323 HOH B O 1 HETATM 4779 O O . HOH W 6 . ? 37.370 15.228 1.786 1.00 37.64 ? 324 HOH B O 1 HETATM 4780 O O . HOH W 6 . ? 29.023 2.190 -32.871 1.00 32.15 ? 325 HOH B O 1 HETATM 4781 O O . HOH W 6 . ? 29.384 18.751 -30.958 1.00 34.68 ? 326 HOH B O 1 HETATM 4782 O O . HOH W 6 . ? 29.336 27.915 -11.974 1.00 36.92 ? 327 HOH B O 1 HETATM 4783 O O . HOH W 6 . ? 29.971 -2.492 -23.565 1.00 37.85 ? 328 HOH B O 1 HETATM 4784 O O . HOH W 6 . ? 21.001 8.111 -16.555 1.00 33.04 ? 329 HOH B O 1 HETATM 4785 O O . HOH W 6 . ? 25.752 26.858 -6.098 1.00 33.53 ? 330 HOH B O 1 HETATM 4786 O O . HOH W 6 . ? 15.663 24.993 -14.311 1.00 42.76 ? 331 HOH B O 1 HETATM 4787 O O . HOH W 6 . ? 44.154 -0.097 -11.921 1.00 23.29 ? 332 HOH B O 1 HETATM 4788 O O . HOH W 6 . ? 48.349 22.189 -1.624 1.00 33.40 ? 333 HOH B O 1 HETATM 4789 O O . HOH W 6 . ? 26.410 -1.873 -24.838 1.00 41.78 ? 334 HOH B O 1 HETATM 4790 O O . HOH W 6 . ? 37.027 12.109 -30.435 1.00 31.11 ? 335 HOH B O 1 HETATM 4791 O O . HOH W 6 . ? 26.679 27.724 -12.783 1.00 31.03 ? 336 HOH B O 1 HETATM 4792 O O . HOH W 6 . ? 50.042 25.755 -18.426 1.00 42.65 ? 337 HOH B O 1 HETATM 4793 O O . HOH W 6 . ? 31.988 0.199 -30.440 1.00 35.04 ? 338 HOH B O 1 HETATM 4794 O O . HOH W 6 . ? 49.419 14.327 -9.729 1.00 42.06 ? 339 HOH B O 1 HETATM 4795 O O . HOH W 6 . ? 55.151 11.869 -18.708 1.00 35.63 ? 340 HOH B O 1 HETATM 4796 O O . HOH W 6 . ? 37.994 2.790 -12.572 1.00 31.41 ? 341 HOH B O 1 HETATM 4797 O O . HOH W 6 . ? 50.366 24.181 -13.069 1.00 42.64 ? 342 HOH B O 1 HETATM 4798 O O . HOH W 6 . ? 4.088 20.046 -9.824 1.00 54.32 ? 343 HOH B O 1 HETATM 4799 O O . HOH W 6 . ? 36.832 4.084 -2.032 1.00 28.65 ? 344 HOH B O 1 HETATM 4800 O O . HOH W 6 . ? 21.254 5.919 -17.866 1.00 38.75 ? 345 HOH B O 1 HETATM 4801 O O . HOH W 6 . ? 2.781 20.665 -11.999 1.00 44.52 ? 346 HOH B O 1 HETATM 4802 O O . HOH W 6 . ? 28.988 -2.596 -21.021 1.00 56.81 ? 347 HOH B O 1 HETATM 4803 O O . HOH W 6 . ? 16.878 0.623 -31.684 1.00 28.51 ? 348 HOH B O 1 HETATM 4804 O O . HOH W 6 . ? 35.309 0.997 -30.451 1.00 38.77 ? 349 HOH B O 1 HETATM 4805 O O . HOH W 6 . ? 22.705 20.062 -1.510 1.00 37.36 ? 350 HOH B O 1 HETATM 4806 O O . HOH W 6 . ? 30.435 9.702 -33.131 1.00 40.78 ? 351 HOH B O 1 HETATM 4807 O O . HOH W 6 . ? 14.688 20.615 -9.185 1.00 43.51 ? 352 HOH B O 1 HETATM 4808 O O . HOH W 6 . ? 30.532 21.382 -29.383 1.00 47.82 ? 353 HOH B O 1 HETATM 4809 O O . HOH W 6 . ? 50.783 -0.261 -10.579 1.00 17.13 ? 354 HOH B O 1 HETATM 4810 O O . HOH W 6 . ? 32.905 -2.871 -15.648 1.00 33.41 ? 356 HOH B O 1 HETATM 4811 O O . HOH W 6 . ? 27.856 -1.826 -33.170 1.00 50.29 ? 357 HOH B O 1 HETATM 4812 O O . HOH W 6 . ? 35.217 22.178 3.015 1.00 44.58 ? 360 HOH B O 1 HETATM 4813 O O . HOH W 6 . ? 12.728 21.850 -18.731 1.00 35.89 ? 361 HOH B O 1 HETATM 4814 O O . HOH W 6 . ? 18.211 14.371 -8.291 1.00 36.79 ? 365 HOH B O 1 HETATM 4815 O O . HOH W 6 . ? 11.065 19.422 -24.019 1.00 46.64 ? 366 HOH B O 1 HETATM 4816 O O . HOH W 6 . ? 49.724 7.827 -30.379 1.00 43.30 ? 371 HOH B O 1 HETATM 4817 O O . HOH W 6 . ? 34.889 -6.772 -21.218 1.00 41.78 ? 372 HOH B O 1 HETATM 4818 O O . HOH W 6 . ? 41.977 22.593 -0.963 1.00 40.18 ? 376 HOH B O 1 HETATM 4819 O O . HOH W 6 . ? 17.600 1.226 -29.180 1.00 39.99 ? 377 HOH B O 1 HETATM 4820 O O . HOH W 6 . ? 38.611 4.280 -4.251 1.00 29.26 ? 384 HOH B O 1 HETATM 4821 O O . HOH W 6 . ? 14.984 11.078 -14.695 1.00 41.21 ? 386 HOH B O 1 HETATM 4822 O O . HOH W 6 . ? 31.907 13.731 -31.902 1.00 40.48 ? 390 HOH B O 1 HETATM 4823 O O . HOH W 6 . ? 49.444 5.048 -29.066 1.00 38.62 ? 391 HOH B O 1 HETATM 4824 O O . HOH W 6 . ? 30.153 28.781 -14.676 1.00 46.60 ? 401 HOH B O 1 HETATM 4825 O O . HOH W 6 . ? 25.393 -0.706 -16.637 1.00 49.37 ? 404 HOH B O 1 HETATM 4826 O O . HOH W 6 . ? 35.850 9.855 -0.986 1.00 42.75 ? 405 HOH B O 1 HETATM 4827 O O . HOH W 6 . ? 26.763 29.569 -15.821 1.00 50.37 ? 406 HOH B O 1 HETATM 4828 O O . HOH W 6 . ? 3.445 22.102 -15.970 1.00 42.49 ? 414 HOH B O 1 HETATM 4829 O O . HOH W 6 . ? 9.079 25.620 -8.289 1.00 46.40 ? 417 HOH B O 1 HETATM 4830 O O . HOH W 6 . ? 45.078 22.306 -22.475 1.00 47.79 ? 418 HOH B O 1 HETATM 4831 O O . HOH W 6 . ? 22.808 5.497 -20.184 1.00 32.75 ? 420 HOH B O 1 HETATM 4832 O O . HOH W 6 . ? 18.049 27.945 -28.297 1.00 44.88 ? 424 HOH B O 1 HETATM 4833 O O . HOH W 6 . ? 5.260 23.571 -14.240 1.00 48.28 ? 428 HOH B O 1 HETATM 4834 O O . HOH W 6 . ? 34.906 2.189 -8.976 1.00 44.81 ? 429 HOH B O 1 HETATM 4835 O O . HOH W 6 . ? 50.606 14.982 -11.878 1.00 41.97 ? 440 HOH B O 1 HETATM 4836 O O . HOH W 6 . ? 37.143 23.327 -25.034 1.00 44.98 ? 441 HOH B O 1 HETATM 4837 O O . HOH W 6 . ? 38.749 10.406 -31.417 1.00 51.03 ? 442 HOH B O 1 HETATM 4838 O O . HOH W 6 . ? 41.109 3.558 -3.591 1.00 42.80 ? 443 HOH B O 1 HETATM 4839 O O . HOH W 6 . ? 29.978 12.037 -32.038 1.00 37.61 ? 447 HOH B O 1 HETATM 4840 O O . HOH W 6 . ? 44.564 -3.973 -19.740 1.00 43.49 ? 449 HOH B O 1 HETATM 4841 O O . HOH W 6 . ? 40.209 -2.699 -25.236 1.00 38.89 ? 452 HOH B O 1 HETATM 4842 O O . HOH W 6 . ? 28.990 27.356 -9.345 1.00 39.25 ? 454 HOH B O 1 HETATM 4843 O O . HOH W 6 . ? 20.263 4.432 -20.648 1.00 41.58 ? 455 HOH B O 1 HETATM 4844 O O . HOH W 6 . ? 46.231 22.712 -27.848 1.00 42.84 ? 456 HOH B O 1 HETATM 4845 O O . HOH W 6 . ? 34.717 15.915 -30.081 1.00 56.85 ? 457 HOH B O 1 HETATM 4846 O O . HOH W 6 . ? 24.125 21.826 -0.057 1.00 39.24 ? 462 HOH B O 1 HETATM 4847 O O . HOH W 6 . ? 35.385 10.281 -32.910 1.00 44.34 ? 463 HOH B O 1 HETATM 4848 O O . HOH W 6 . ? 39.688 5.844 -6.579 1.00 46.93 ? 464 HOH B O 1 HETATM 4849 O O . HOH W 6 . ? 52.080 9.681 -27.019 1.00 43.00 ? 470 HOH B O 1 HETATM 4850 O O . HOH W 6 . ? 1.588 20.105 -18.752 1.00 39.36 ? 475 HOH B O 1 HETATM 4851 O O . HOH W 6 . ? 2.614 23.345 -13.876 1.00 35.30 ? 477 HOH B O 1 HETATM 4852 O O . HOH W 6 . ? 27.774 0.136 -12.376 1.00 42.26 ? 480 HOH B O 1 HETATM 4853 O O . HOH W 6 . ? 38.023 18.702 2.384 1.00 45.63 ? 487 HOH B O 1 HETATM 4854 O O . HOH W 6 . ? 33.189 30.627 -15.872 1.00 44.42 ? 492 HOH B O 1 HETATM 4855 O O . HOH W 6 . ? 28.673 9.556 -7.658 1.00 45.34 ? 493 HOH B O 1 HETATM 4856 O O . HOH W 6 . ? 11.057 24.121 -20.218 1.00 45.15 ? 494 HOH B O 1 HETATM 4857 O O . HOH W 6 . ? 26.062 14.650 -40.197 1.00 43.01 ? 495 HOH B O 1 HETATM 4858 O O . HOH W 6 . ? 12.796 8.533 -18.064 1.00 53.00 ? 498 HOH B O 1 HETATM 4859 O O . HOH W 6 . ? 27.899 28.956 -26.766 1.00 43.67 ? 499 HOH B O 1 HETATM 4860 O O . HOH W 6 . ? 33.652 7.009 -31.558 1.00 22.97 ? 514 HOH B O 1 HETATM 4861 O O . HOH W 6 . ? 45.582 29.219 -13.039 1.00 34.12 ? 515 HOH B O 1 HETATM 4862 O O . HOH W 6 . ? 15.030 25.190 -26.487 1.00 44.41 ? 516 HOH B O 1 HETATM 4863 O O . HOH W 6 . ? 42.986 30.612 -5.720 1.00 52.06 ? 517 HOH B O 1 HETATM 4864 O O . HOH W 6 . ? 39.769 18.153 0.092 1.00 26.77 ? 520 HOH B O 1 HETATM 4865 O O . HOH W 6 . ? 28.717 26.667 -3.076 1.00 49.91 ? 521 HOH B O 1 HETATM 4866 O O . HOH W 6 . ? 20.103 30.967 -16.060 1.00 37.58 ? 522 HOH B O 1 HETATM 4867 O O . HOH W 6 . ? 48.024 11.819 -31.759 1.00 44.04 ? 523 HOH B O 1 HETATM 4868 O O . HOH W 6 . ? 33.912 -4.656 -20.082 1.00 30.10 ? 524 HOH B O 1 HETATM 4869 O O . HOH W 6 . ? 36.032 3.438 -29.269 1.00 15.89 ? 525 HOH B O 1 HETATM 4870 O O . HOH W 6 . ? 32.408 22.680 -26.565 1.00 32.73 ? 538 HOH B O 1 HETATM 4871 O O . HOH W 6 . ? 25.075 19.831 -34.760 1.00 39.94 ? 539 HOH B O 1 HETATM 4872 O O . HOH W 6 . ? 39.719 30.133 -18.899 1.00 45.75 ? 545 HOH B O 1 HETATM 4873 O O . HOH W 6 . ? 48.658 3.585 -25.656 1.00 31.20 ? 546 HOH B O 1 HETATM 4874 O O . HOH W 6 . ? 12.594 17.782 -28.084 1.00 41.61 ? 556 HOH B O 1 HETATM 4875 O O . HOH W 6 . ? 37.127 -3.652 -9.422 1.00 46.73 ? 563 HOH B O 1 HETATM 4876 O O . HOH W 6 . ? 52.902 6.685 -17.092 1.00 46.50 ? 565 HOH B O 1 HETATM 4877 O O . HOH W 6 . ? 52.816 5.286 -21.249 1.00 41.54 ? 566 HOH B O 1 HETATM 4878 O O . HOH W 6 . ? 30.541 7.064 -32.995 1.00 43.17 ? 567 HOH B O 1 HETATM 4879 O O . HOH W 6 . ? 32.416 25.039 -16.693 1.00 33.35 ? 569 HOH B O 1 HETATM 4880 O O . HOH W 6 . ? 21.820 21.458 -31.197 1.00 45.20 ? 570 HOH B O 1 HETATM 4881 O O . HOH W 6 . ? 43.977 13.986 -1.008 1.00 41.60 ? 572 HOH B O 1 HETATM 4882 O O . HOH W 6 . ? 15.583 14.373 -14.050 1.00 44.40 ? 573 HOH B O 1 HETATM 4883 O O . HOH W 6 . ? 9.420 30.114 -24.690 1.00 57.25 ? 574 HOH B O 1 HETATM 4884 O O . HOH W 6 . ? 13.360 31.303 -22.697 1.00 38.16 ? 575 HOH B O 1 HETATM 4885 O O . HOH W 6 . ? 17.167 17.602 -25.608 1.00 27.27 ? 577 HOH B O 1 HETATM 4886 O O . HOH W 6 . ? 48.030 9.831 -29.425 1.00 48.89 ? 578 HOH B O 1 HETATM 4887 O O . HOH W 6 . ? 51.809 12.634 -29.525 1.00 39.31 ? 579 HOH B O 1 HETATM 4888 O O . HOH W 6 . ? 52.872 6.880 -25.958 1.00 44.34 ? 580 HOH B O 1 HETATM 4889 O O . HOH W 6 . ? 51.001 12.077 -13.197 1.00 37.13 ? 581 HOH B O 1 HETATM 4890 O O . HOH W 6 . ? 23.650 6.063 -12.779 1.00 29.80 ? 582 HOH B O 1 HETATM 4891 O O . HOH W 6 . ? 24.386 3.559 -19.361 1.00 41.74 ? 583 HOH B O 1 HETATM 4892 O O . HOH W 6 . ? 33.006 -8.488 -24.752 1.00 44.25 ? 584 HOH B O 1 HETATM 4893 O O . HOH W 6 . ? 48.068 -2.652 -19.956 1.00 59.23 ? 585 HOH B O 1 HETATM 4894 O O . HOH W 6 . ? 20.623 9.981 -12.223 1.00 42.30 ? 587 HOH B O 1 HETATM 4895 O O . HOH W 6 . ? 51.725 21.125 -14.429 1.00 47.81 ? 588 HOH B O 1 HETATM 4896 O O . HOH W 6 . ? 6.168 26.979 -10.946 1.00 38.68 ? 596 HOH B O 1 HETATM 4897 O O . HOH W 6 . ? 24.965 -4.200 -28.743 1.00 47.24 ? 602 HOH B O 1 HETATM 4898 O O . HOH W 6 . ? 24.032 -3.157 -30.976 1.00 41.24 ? 603 HOH B O 1 HETATM 4899 O O . HOH W 6 . ? 33.750 23.912 -24.854 1.00 49.52 ? 604 HOH B O 1 HETATM 4900 O O . HOH W 6 . ? 18.881 26.565 -3.113 1.00 42.96 ? 605 HOH B O 1 HETATM 4901 O O . HOH W 6 . ? 33.413 -2.946 -13.253 1.00 35.10 ? 606 HOH B O 1 HETATM 4902 O O . HOH W 6 . ? 35.338 25.477 -1.494 1.00 43.17 ? 628 HOH B O 1 HETATM 4903 O O . HOH W 6 . ? 36.989 24.431 0.265 1.00 42.32 ? 629 HOH B O 1 HETATM 4904 O O . HOH W 6 . ? 39.459 23.716 0.694 1.00 49.44 ? 630 HOH B O 1 HETATM 4905 O O . HOH W 6 . ? 35.022 37.626 -14.812 1.00 41.76 ? 631 HOH B O 1 HETATM 4906 O O . HOH W 6 . ? 31.573 -6.732 -29.849 1.00 40.87 ? 632 HOH B O 1 HETATM 4907 O O . HOH W 6 . ? 46.970 0.773 -21.912 1.00 45.92 ? 633 HOH B O 1 HETATM 4908 O O . HOH W 6 . ? 60.481 19.202 -20.023 1.00 58.74 ? 640 HOH B O 1 HETATM 4909 O O . HOH W 6 . ? 24.990 -2.123 -33.296 1.00 48.51 ? 644 HOH B O 1 HETATM 4910 O O . HOH W 6 . ? 28.765 -3.814 -31.579 1.00 46.21 ? 645 HOH B O 1 HETATM 4911 O O . HOH W 6 . ? 21.083 -4.664 -31.165 1.00 53.18 ? 646 HOH B O 1 HETATM 4912 O O . HOH W 6 . ? 14.879 9.292 -21.715 1.00 50.31 ? 647 HOH B O 1 HETATM 4913 O O . HOH W 6 . ? 22.314 8.076 -14.069 1.00 51.64 ? 648 HOH B O 1 HETATM 4914 O O . HOH W 6 . ? 45.448 9.688 -8.138 1.00 24.35 ? 660 HOH B O 1 HETATM 4915 O O . HOH W 6 . ? 52.462 -1.022 -17.717 1.00 35.74 ? 661 HOH B O 1 HETATM 4916 O O . HOH W 6 . ? 17.491 22.157 -30.612 1.00 39.59 ? 685 HOH B O 1 HETATM 4917 O O . HOH W 6 . ? 18.010 11.480 -10.329 1.00 57.57 ? 687 HOH B O 1 HETATM 4918 O O . HOH W 6 . ? 37.894 30.370 -16.574 1.00 45.31 ? 691 HOH B O 1 HETATM 4919 O O . HOH W 6 . ? 11.894 30.314 -15.725 1.00 51.79 ? 692 HOH B O 1 HETATM 4920 O O . HOH W 6 . ? 17.981 27.395 -5.517 1.00 50.37 ? 693 HOH B O 1 HETATM 4921 O O . HOH W 6 . ? 37.019 15.325 -31.306 1.00 56.42 ? 694 HOH B O 1 HETATM 4922 O O . HOH W 6 . ? 45.925 0.007 -27.161 1.00 41.52 ? 697 HOH B O 1 HETATM 4923 O O . HOH W 6 . ? 38.439 -6.675 -27.343 1.00 46.78 ? 698 HOH B O 1 HETATM 4924 O O . HOH W 6 . ? 4.882 21.213 -7.596 1.00 43.94 ? 700 HOH B O 1 HETATM 4925 O O . HOH W 6 . ? 48.653 1.938 -23.841 1.00 37.54 ? 702 HOH B O 1 HETATM 4926 O O . HOH W 6 . ? 43.271 -0.105 -32.257 1.00 44.92 ? 703 HOH B O 1 HETATM 4927 O O . HOH W 6 . ? 21.804 -0.866 -23.529 1.00 43.98 ? 704 HOH B O 1 HETATM 4928 O O . HOH W 6 . ? 28.111 16.621 -38.139 1.00 49.86 ? 705 HOH B O 1 HETATM 4929 O O . HOH W 6 . ? 41.723 30.164 -11.099 1.00 47.68 ? 706 HOH B O 1 HETATM 4930 O O . HOH W 6 . ? 31.258 27.023 -2.203 1.00 45.88 ? 707 HOH B O 1 HETATM 4931 O O . HOH W 6 . ? 11.728 27.261 -15.098 1.00 52.53 ? 708 HOH B O 1 HETATM 4932 O O . HOH W 6 . ? 10.927 30.498 -21.732 1.00 56.47 ? 709 HOH B O 1 HETATM 4933 O O . HOH W 6 . ? 13.444 24.198 -16.567 1.00 48.33 ? 710 HOH B O 1 HETATM 4934 O O . HOH W 6 . ? 38.562 20.482 -31.276 1.00 55.53 ? 711 HOH B O 1 HETATM 4935 O O . HOH W 6 . ? 34.749 22.842 -27.983 1.00 56.67 ? 712 HOH B O 1 HETATM 4936 O O . HOH W 6 . ? 46.691 -5.675 -18.606 1.00 56.14 ? 725 HOH B O 1 HETATM 4937 O O . HOH W 6 . ? 36.380 -7.925 -30.681 1.00 54.01 ? 727 HOH B O 1 HETATM 4938 O O . HOH W 6 . ? 37.092 8.189 -33.109 1.00 52.87 ? 728 HOH B O 1 HETATM 4939 O O . HOH X 6 . ? 38.329 -7.763 -0.917 1.00 12.22 ? 5 HOH C O 1 HETATM 4940 O O . HOH X 6 . ? 54.413 5.003 -5.778 1.00 14.93 ? 9 HOH C O 1 HETATM 4941 O O . HOH X 6 . ? 50.606 -13.465 3.587 1.00 17.88 ? 12 HOH C O 1 HETATM 4942 O O . HOH X 6 . ? 50.254 2.825 7.215 1.00 15.51 ? 13 HOH C O 1 HETATM 4943 O O . HOH X 6 . ? 52.352 -17.826 1.976 1.00 17.58 ? 20 HOH C O 1 HETATM 4944 O O . HOH X 6 . ? 59.862 -27.292 -10.158 1.00 13.28 ? 22 HOH C O 1 HETATM 4945 O O . HOH X 6 . ? 57.386 2.391 0.559 1.00 15.15 ? 23 HOH C O 1 HETATM 4946 O O . HOH X 6 . ? 60.857 -15.168 -12.684 1.00 21.02 ? 27 HOH C O 1 HETATM 4947 O O . HOH X 6 . ? 49.268 -11.184 10.769 1.00 19.28 ? 28 HOH C O 1 HETATM 4948 O O . HOH X 6 . ? 50.661 -18.142 -0.360 1.00 18.17 ? 32 HOH C O 1 HETATM 4949 O O . HOH X 6 . ? 55.062 -23.864 -5.288 1.00 15.79 ? 33 HOH C O 1 HETATM 4950 O O . HOH X 6 . ? 44.319 -24.497 -4.976 1.00 18.49 ? 40 HOH C O 1 HETATM 4951 O O . HOH X 6 . ? 33.242 -8.537 13.556 1.00 15.61 ? 44 HOH C O 1 HETATM 4952 O O . HOH X 6 . ? 55.253 -21.270 -4.577 1.00 14.07 ? 48 HOH C O 1 HETATM 4953 O O . HOH X 6 . ? 31.592 -2.780 8.842 1.00 27.42 ? 51 HOH C O 1 HETATM 4954 O O . HOH X 6 . ? 52.339 12.373 -7.280 1.00 28.83 ? 64 HOH C O 1 HETATM 4955 O O . HOH X 6 . ? 52.424 -15.308 3.448 1.00 21.87 ? 65 HOH C O 1 HETATM 4956 O O . HOH X 6 . ? 44.862 -15.147 -10.973 1.00 21.92 ? 66 HOH C O 1 HETATM 4957 O O . HOH X 6 . ? 35.358 -11.564 -5.703 1.00 21.20 ? 67 HOH C O 1 HETATM 4958 O O . HOH X 6 . ? 50.511 -1.712 12.816 1.00 20.13 ? 69 HOH C O 1 HETATM 4959 O O . HOH X 6 . ? 36.259 -5.402 -1.013 1.00 19.10 ? 74 HOH C O 1 HETATM 4960 O O . HOH X 6 . ? 64.753 -7.371 -9.523 1.00 23.40 ? 75 HOH C O 1 HETATM 4961 O O . HOH X 6 . ? 40.611 -16.478 14.209 1.00 33.84 ? 257 HOH C O 1 HETATM 4962 O O . HOH X 6 . ? 41.868 -22.073 2.259 1.00 17.13 ? 258 HOH C O 1 HETATM 4963 O O . HOH X 6 . ? 48.014 -29.283 -5.364 1.00 21.12 ? 259 HOH C O 1 HETATM 4964 O O . HOH X 6 . ? 54.071 8.710 -12.401 1.00 29.12 ? 260 HOH C O 1 HETATM 4965 O O . HOH X 6 . ? 44.519 7.605 7.421 1.00 22.58 ? 261 HOH C O 1 HETATM 4966 O O . HOH X 6 . ? 38.014 -18.249 -7.919 1.00 33.36 ? 262 HOH C O 1 HETATM 4967 O O . HOH X 6 . ? 62.194 -0.647 -7.247 1.00 29.06 ? 263 HOH C O 1 HETATM 4968 O O . HOH X 6 . ? 54.467 -2.857 -17.344 1.00 22.60 ? 264 HOH C O 1 HETATM 4969 O O . HOH X 6 . ? 54.132 -1.363 -31.281 1.00 54.11 ? 265 HOH C O 1 HETATM 4970 O O . HOH X 6 . ? 60.361 -24.775 -10.639 1.00 28.23 ? 266 HOH C O 1 HETATM 4971 O O . HOH X 6 . ? 42.985 -15.498 -12.712 1.00 25.78 ? 267 HOH C O 1 HETATM 4972 O O . HOH X 6 . ? 38.766 -3.547 -4.234 1.00 30.32 ? 268 HOH C O 1 HETATM 4973 O O . HOH X 6 . ? 60.037 -13.477 3.276 1.00 36.15 ? 269 HOH C O 1 HETATM 4974 O O . HOH X 6 . ? 45.547 8.229 -5.888 1.00 28.83 ? 270 HOH C O 1 HETATM 4975 O O . HOH X 6 . ? 51.939 10.151 -11.443 1.00 50.25 ? 271 HOH C O 1 HETATM 4976 O O . HOH X 6 . ? 37.831 -20.242 8.948 1.00 34.00 ? 272 HOH C O 1 HETATM 4977 O O . HOH X 6 . ? 64.336 -18.998 -10.039 1.00 34.84 ? 273 HOH C O 1 HETATM 4978 O O . HOH X 6 . ? 57.282 7.035 -6.179 1.00 23.52 ? 274 HOH C O 1 HETATM 4979 O O . HOH X 6 . ? 37.939 -28.649 -8.387 1.00 35.17 ? 275 HOH C O 1 HETATM 4980 O O . HOH X 6 . ? 53.148 -4.364 -15.711 1.00 26.57 ? 276 HOH C O 1 HETATM 4981 O O . HOH X 6 . ? 53.313 12.812 -4.851 1.00 26.39 ? 277 HOH C O 1 HETATM 4982 O O . HOH X 6 . ? 45.923 -24.042 0.484 1.00 26.40 ? 278 HOH C O 1 HETATM 4983 O O . HOH X 6 . ? 44.860 -25.424 2.898 1.00 38.00 ? 279 HOH C O 1 HETATM 4984 O O . HOH X 6 . ? 35.764 -11.767 12.154 1.00 20.95 ? 280 HOH C O 1 HETATM 4985 O O . HOH X 6 . ? 65.129 2.577 0.089 1.00 47.99 ? 281 HOH C O 1 HETATM 4986 O O . HOH X 6 . ? 42.266 -8.232 -13.158 1.00 31.50 ? 282 HOH C O 1 HETATM 4987 O O . HOH X 6 . ? 32.238 -15.366 -1.880 1.00 40.41 ? 283 HOH C O 1 HETATM 4988 O O . HOH X 6 . ? 40.373 -19.419 -12.277 1.00 29.30 ? 284 HOH C O 1 HETATM 4989 O O . HOH X 6 . ? 42.273 -8.399 15.293 1.00 37.74 ? 285 HOH C O 1 HETATM 4990 O O . HOH X 6 . ? 48.376 -0.356 13.230 1.00 30.80 ? 286 HOH C O 1 HETATM 4991 O O . HOH X 6 . ? 54.729 -4.143 -19.880 1.00 30.94 ? 287 HOH C O 1 HETATM 4992 O O . HOH X 6 . ? 68.474 -14.580 -14.547 1.00 39.16 ? 288 HOH C O 1 HETATM 4993 O O . HOH X 6 . ? 62.995 -2.469 -9.257 1.00 50.79 ? 289 HOH C O 1 HETATM 4994 O O . HOH X 6 . ? 39.116 -28.693 -5.004 1.00 34.39 ? 290 HOH C O 1 HETATM 4995 O O . HOH X 6 . ? 65.408 -4.971 -8.211 1.00 43.05 ? 291 HOH C O 1 HETATM 4996 O O . HOH X 6 . ? 57.666 -3.191 13.746 1.00 40.75 ? 292 HOH C O 1 HETATM 4997 O O . HOH X 6 . ? 44.134 -20.032 -16.257 1.00 39.50 ? 293 HOH C O 1 HETATM 4998 O O . HOH X 6 . ? 63.513 -1.162 -15.499 1.00 28.31 ? 294 HOH C O 1 HETATM 4999 O O . HOH X 6 . ? 44.886 -11.554 -15.178 1.00 34.64 ? 295 HOH C O 1 HETATM 5000 O O . HOH X 6 . ? 40.957 3.366 7.099 1.00 30.77 ? 296 HOH C O 1 HETATM 5001 O O . HOH X 6 . ? 59.853 -20.699 -9.647 1.00 25.75 ? 297 HOH C O 1 HETATM 5002 O O . HOH X 6 . ? 38.809 0.766 1.770 1.00 33.97 ? 298 HOH C O 1 HETATM 5003 O O . HOH X 6 . ? 43.922 -19.574 7.662 1.00 33.06 ? 299 HOH C O 1 HETATM 5004 O O . HOH X 6 . ? 59.357 -3.863 0.560 1.00 32.80 ? 300 HOH C O 1 HETATM 5005 O O . HOH X 6 . ? 55.978 -7.959 12.419 1.00 35.21 ? 304 HOH C O 1 HETATM 5006 O O . HOH X 6 . ? 60.881 -11.914 0.841 1.00 45.75 ? 305 HOH C O 1 HETATM 5007 O O . HOH X 6 . ? 50.323 -20.912 3.658 1.00 32.64 ? 306 HOH C O 1 HETATM 5008 O O . HOH X 6 . ? 40.226 -17.015 -10.236 1.00 25.22 ? 307 HOH C O 1 HETATM 5009 O O . HOH X 6 . ? 64.026 -1.353 -5.855 1.00 46.54 ? 308 HOH C O 1 HETATM 5010 O O . HOH X 6 . ? 35.035 -13.002 8.680 1.00 27.52 ? 309 HOH C O 1 HETATM 5011 O O . HOH X 6 . ? 32.305 -13.241 8.279 1.00 29.30 ? 310 HOH C O 1 HETATM 5012 O O . HOH X 6 . ? 45.997 -4.200 15.195 1.00 34.76 ? 311 HOH C O 1 HETATM 5013 O O . HOH X 6 . ? 41.614 -10.161 17.017 1.00 45.36 ? 312 HOH C O 1 HETATM 5014 O O . HOH X 6 . ? 56.624 -12.210 12.796 1.00 40.82 ? 313 HOH C O 1 HETATM 5015 O O . HOH X 6 . ? 47.511 -25.477 -14.382 1.00 35.82 ? 314 HOH C O 1 HETATM 5016 O O . HOH X 6 . ? 61.476 -13.752 -0.935 1.00 36.74 ? 315 HOH C O 1 HETATM 5017 O O . HOH X 6 . ? 61.260 1.485 -8.025 1.00 41.53 ? 316 HOH C O 1 HETATM 5018 O O . HOH X 6 . ? 35.294 -16.619 6.462 1.00 34.19 ? 317 HOH C O 1 HETATM 5019 O O . HOH X 6 . ? 37.603 -13.840 11.774 1.00 34.77 ? 318 HOH C O 1 HETATM 5020 O O . HOH X 6 . ? 57.871 -20.963 -3.350 1.00 29.73 ? 319 HOH C O 1 HETATM 5021 O O . HOH X 6 . ? 39.452 -31.935 -8.718 1.00 54.22 ? 320 HOH C O 1 HETATM 5022 O O . HOH X 6 . ? 44.408 -9.027 -14.501 1.00 36.20 ? 321 HOH C O 1 HETATM 5023 O O . HOH X 6 . ? 46.723 10.548 -2.264 1.00 32.94 ? 322 HOH C O 1 HETATM 5024 O O . HOH X 6 . ? 42.958 -31.100 -10.879 1.00 36.91 ? 323 HOH C O 1 HETATM 5025 O O . HOH X 6 . ? 64.982 -12.309 -3.600 1.00 30.96 ? 324 HOH C O 1 HETATM 5026 O O . HOH X 6 . ? 58.057 -9.539 10.305 1.00 46.41 ? 325 HOH C O 1 HETATM 5027 O O . HOH X 6 . ? 46.143 -23.188 -14.740 1.00 29.39 ? 326 HOH C O 1 HETATM 5028 O O . HOH X 6 . ? 60.616 3.439 -11.654 1.00 25.83 ? 327 HOH C O 1 HETATM 5029 O O . HOH X 6 . ? 44.199 -1.905 -9.688 1.00 37.16 ? 328 HOH C O 1 HETATM 5030 O O . HOH X 6 . ? 31.716 -5.834 0.877 1.00 39.32 ? 329 HOH C O 1 HETATM 5031 O O . HOH X 6 . ? 39.254 -24.955 -0.864 1.00 36.64 ? 330 HOH C O 1 HETATM 5032 O O . HOH X 6 . ? 33.252 -11.074 -3.961 1.00 36.12 ? 331 HOH C O 1 HETATM 5033 O O . HOH X 6 . ? 59.875 8.476 -7.071 1.00 40.45 ? 332 HOH C O 1 HETATM 5034 O O . HOH X 6 . ? 43.047 -13.217 -14.513 1.00 35.21 ? 333 HOH C O 1 HETATM 5035 O O . HOH X 6 . ? 62.456 -5.402 7.480 1.00 26.41 ? 334 HOH C O 1 HETATM 5036 O O . HOH X 6 . ? 60.970 -19.922 -5.877 1.00 41.31 ? 335 HOH C O 1 HETATM 5037 O O . HOH X 6 . ? 63.433 -1.911 1.990 1.00 42.16 ? 336 HOH C O 1 HETATM 5038 O O . HOH X 6 . ? 47.340 4.074 12.884 1.00 33.30 ? 337 HOH C O 1 HETATM 5039 O O . HOH X 6 . ? 56.652 -25.630 -3.342 1.00 35.13 ? 338 HOH C O 1 HETATM 5040 O O . HOH X 6 . ? 60.695 -14.106 -15.168 1.00 37.07 ? 339 HOH C O 1 HETATM 5041 O O . HOH X 6 . ? 45.494 8.711 -3.230 1.00 38.23 ? 347 HOH C O 1 HETATM 5042 O O . HOH X 6 . ? 66.202 -15.523 -7.469 1.00 37.56 ? 353 HOH C O 1 HETATM 5043 O O . HOH X 6 . ? 36.412 -2.896 -3.136 1.00 36.69 ? 358 HOH C O 1 HETATM 5044 O O . HOH X 6 . ? 52.923 -17.378 -23.701 1.00 40.04 ? 363 HOH C O 1 HETATM 5045 O O . HOH X 6 . ? 64.860 1.839 8.324 1.00 39.51 ? 368 HOH C O 1 HETATM 5046 O O . HOH X 6 . ? 54.840 -19.274 -12.842 1.00 30.77 ? 369 HOH C O 1 HETATM 5047 O O . HOH X 6 . ? 62.666 -17.916 -5.145 1.00 26.15 ? 370 HOH C O 1 HETATM 5048 O O . HOH X 6 . ? 49.044 -21.918 5.609 1.00 47.09 ? 374 HOH C O 1 HETATM 5049 O O . HOH X 6 . ? 53.434 -22.515 0.099 1.00 48.95 ? 379 HOH C O 1 HETATM 5050 O O . HOH X 6 . ? 66.614 -17.340 -18.447 1.00 55.61 ? 381 HOH C O 1 HETATM 5051 O O . HOH X 6 . ? 45.108 6.339 -1.559 1.00 32.97 ? 382 HOH C O 1 HETATM 5052 O O . HOH X 6 . ? 39.008 -9.783 -13.982 1.00 45.38 ? 383 HOH C O 1 HETATM 5053 O O . HOH X 6 . ? 50.272 -17.393 -23.201 1.00 58.19 ? 385 HOH C O 1 HETATM 5054 O O . HOH X 6 . ? 59.947 6.256 -9.406 1.00 40.64 ? 387 HOH C O 1 HETATM 5055 O O . HOH X 6 . ? 35.368 -19.283 -4.932 1.00 47.06 ? 389 HOH C O 1 HETATM 5056 O O . HOH X 6 . ? 40.875 -26.491 -21.232 1.00 49.44 ? 393 HOH C O 1 HETATM 5057 O O . HOH X 6 . ? 46.630 -15.859 17.366 1.00 36.22 ? 397 HOH C O 1 HETATM 5058 O O . HOH X 6 . ? 33.695 -28.572 -14.332 1.00 60.10 ? 399 HOH C O 1 HETATM 5059 O O . HOH X 6 . ? 35.354 -16.434 -7.319 1.00 41.66 ? 400 HOH C O 1 HETATM 5060 O O . HOH X 6 . ? 48.569 -24.740 -2.147 1.00 35.13 ? 407 HOH C O 1 HETATM 5061 O O . HOH X 6 . ? 48.011 -5.876 -15.646 1.00 48.64 ? 409 HOH C O 1 HETATM 5062 O O . HOH X 6 . ? 54.177 7.592 -14.897 1.00 40.42 ? 410 HOH C O 1 HETATM 5063 O O . HOH X 6 . ? 53.170 8.365 12.019 1.00 44.07 ? 411 HOH C O 1 HETATM 5064 O O . HOH X 6 . ? 56.591 -18.183 -19.716 1.00 36.75 ? 413 HOH C O 1 HETATM 5065 O O . HOH X 6 . ? 62.791 1.425 -15.510 1.00 50.45 ? 419 HOH C O 1 HETATM 5066 O O . HOH X 6 . ? 48.937 -19.513 -19.787 1.00 42.91 ? 422 HOH C O 1 HETATM 5067 O O . HOH X 6 . ? 56.836 -1.961 -16.086 1.00 37.89 ? 423 HOH C O 1 HETATM 5068 O O . HOH X 6 . ? 39.949 -24.151 1.819 1.00 32.25 ? 427 HOH C O 1 HETATM 5069 O O . HOH X 6 . ? 30.309 -9.109 -1.992 1.00 44.60 ? 430 HOH C O 1 HETATM 5070 O O . HOH X 6 . ? 34.846 -19.125 5.464 1.00 41.05 ? 433 HOH C O 1 HETATM 5071 O O . HOH X 6 . ? 40.527 3.205 -0.847 1.00 32.83 ? 435 HOH C O 1 HETATM 5072 O O . HOH X 6 . ? 40.903 -22.537 9.943 1.00 50.37 ? 438 HOH C O 1 HETATM 5073 O O . HOH X 6 . ? 32.756 -8.461 -3.788 1.00 41.74 ? 439 HOH C O 1 HETATM 5074 O O . HOH X 6 . ? 37.703 -23.693 3.950 1.00 46.61 ? 444 HOH C O 1 HETATM 5075 O O . HOH X 6 . ? 61.490 -6.294 -19.842 1.00 49.04 ? 446 HOH C O 1 HETATM 5076 O O . HOH X 6 . ? 53.070 10.667 6.767 1.00 47.46 ? 448 HOH C O 1 HETATM 5077 O O . HOH X 6 . ? 63.482 -9.299 -20.734 1.00 40.91 ? 450 HOH C O 1 HETATM 5078 O O . HOH X 6 . ? 36.544 -20.921 -8.493 1.00 50.63 ? 453 HOH C O 1 HETATM 5079 O O . HOH X 6 . ? 47.360 -17.474 -19.949 1.00 54.57 ? 458 HOH C O 1 HETATM 5080 O O . HOH X 6 . ? 60.182 -17.424 -1.554 1.00 48.73 ? 459 HOH C O 1 HETATM 5081 O O . HOH X 6 . ? 47.648 -10.501 -20.801 1.00 37.29 ? 460 HOH C O 1 HETATM 5082 O O . HOH X 6 . ? 60.269 4.902 -5.328 1.00 30.96 ? 466 HOH C O 1 HETATM 5083 O O . HOH X 6 . ? 55.908 -20.084 -21.320 1.00 43.22 ? 467 HOH C O 1 HETATM 5084 O O . HOH X 6 . ? 55.666 4.309 12.504 1.00 45.47 ? 468 HOH C O 1 HETATM 5085 O O . HOH X 6 . ? 40.380 -5.985 16.244 1.00 47.47 ? 471 HOH C O 1 HETATM 5086 O O . HOH X 6 . ? 47.643 1.877 11.556 1.00 31.70 ? 473 HOH C O 1 HETATM 5087 O O . HOH X 6 . ? 49.052 -23.896 2.952 1.00 38.72 ? 474 HOH C O 1 HETATM 5088 O O . HOH X 6 . ? 34.199 -24.552 -7.725 1.00 51.83 ? 478 HOH C O 1 HETATM 5089 O O . HOH X 6 . ? 49.890 13.621 5.890 1.00 49.45 ? 482 HOH C O 1 HETATM 5090 O O . HOH X 6 . ? 47.456 -18.298 13.959 1.00 44.33 ? 483 HOH C O 1 HETATM 5091 O O . HOH X 6 . ? 49.699 -19.045 10.043 1.00 37.39 ? 484 HOH C O 1 HETATM 5092 O O . HOH X 6 . ? 54.593 12.057 0.374 1.00 45.81 ? 486 HOH C O 1 HETATM 5093 O O . HOH X 6 . ? 52.654 -14.398 17.256 1.00 43.70 ? 488 HOH C O 1 HETATM 5094 O O . HOH X 6 . ? 57.382 1.267 13.620 1.00 45.91 ? 491 HOH C O 1 HETATM 5095 O O . HOH X 6 . ? 65.652 -9.656 -10.979 1.00 40.28 ? 497 HOH C O 1 HETATM 5096 O O . HOH X 6 . ? 65.353 6.204 -1.361 1.00 48.91 ? 502 HOH C O 1 HETATM 5097 O O . HOH X 6 . ? 49.289 13.562 -2.581 1.00 43.75 ? 503 HOH C O 1 HETATM 5098 O O . HOH X 6 . ? 63.024 -21.370 -9.678 1.00 49.14 ? 504 HOH C O 1 HETATM 5099 O O . HOH X 6 . ? 33.501 -2.503 13.028 1.00 13.07 ? 512 HOH C O 1 HETATM 5100 O O . HOH X 6 . ? 34.497 -4.552 6.550 1.00 18.63 ? 526 HOH C O 1 HETATM 5101 O O . HOH X 6 . ? 44.487 -27.717 -12.873 1.00 36.79 ? 527 HOH C O 1 HETATM 5102 O O . HOH X 6 . ? 61.404 -24.677 -6.479 1.00 43.74 ? 528 HOH C O 1 HETATM 5103 O O . HOH X 6 . ? 63.898 -3.955 -5.128 1.00 35.88 ? 529 HOH C O 1 HETATM 5104 O O . HOH X 6 . ? 49.719 10.065 0.316 1.00 33.10 ? 530 HOH C O 1 HETATM 5105 O O . HOH X 6 . ? 45.586 9.240 5.598 1.00 53.42 ? 555 HOH C O 1 HETATM 5106 O O . HOH X 6 . ? 38.630 -3.995 -13.991 1.00 42.27 ? 564 HOH C O 1 HETATM 5107 O O . HOH X 6 . ? 48.823 -3.974 -17.360 1.00 35.30 ? 586 HOH C O 1 HETATM 5108 O O . HOH X 6 . ? 46.070 -6.532 19.231 1.00 45.25 ? 607 HOH C O 1 HETATM 5109 O O . HOH X 6 . ? 52.624 -11.151 20.176 1.00 49.17 ? 608 HOH C O 1 HETATM 5110 O O . HOH X 6 . ? 44.198 -16.862 18.093 1.00 53.65 ? 609 HOH C O 1 HETATM 5111 O O . HOH X 6 . ? 57.949 -5.470 12.421 1.00 41.27 ? 610 HOH C O 1 HETATM 5112 O O . HOH X 6 . ? 51.039 -23.735 -2.723 1.00 30.79 ? 611 HOH C O 1 HETATM 5113 O O . HOH X 6 . ? 60.489 -6.179 -2.848 1.00 37.88 ? 612 HOH C O 1 HETATM 5114 O O . HOH X 6 . ? 54.408 10.336 3.382 1.00 37.73 ? 613 HOH C O 1 HETATM 5115 O O . HOH X 6 . ? 54.279 7.860 4.459 1.00 47.34 ? 614 HOH C O 1 HETATM 5116 O O . HOH X 6 . ? 58.379 -10.082 -19.802 1.00 39.45 ? 615 HOH C O 1 HETATM 5117 O O . HOH X 6 . ? 56.022 11.726 -3.786 1.00 43.85 ? 616 HOH C O 1 HETATM 5118 O O . HOH X 6 . ? 66.854 -6.921 -14.856 1.00 45.26 ? 617 HOH C O 1 HETATM 5119 O O . HOH X 6 . ? 64.821 -0.718 -13.308 1.00 54.06 ? 618 HOH C O 1 HETATM 5120 O O . HOH X 6 . ? 54.754 -21.521 4.731 1.00 47.54 ? 619 HOH C O 1 HETATM 5121 O O . HOH X 6 . ? 40.864 -14.697 -11.312 1.00 39.67 ? 620 HOH C O 1 HETATM 5122 O O . HOH X 6 . ? 37.272 2.114 0.076 1.00 40.54 ? 634 HOH C O 1 HETATM 5123 O O . HOH X 6 . ? 60.328 10.933 1.902 1.00 43.10 ? 635 HOH C O 1 HETATM 5124 O O . HOH X 6 . ? 53.649 12.336 -9.730 1.00 42.16 ? 636 HOH C O 1 HETATM 5125 O O . HOH X 6 . ? 57.909 -12.029 -23.711 1.00 53.79 ? 637 HOH C O 1 HETATM 5126 O O . HOH X 6 . ? 37.754 -18.971 11.768 1.00 45.00 ? 638 HOH C O 1 HETATM 5127 O O . HOH X 6 . ? 51.960 13.886 -3.031 1.00 49.57 ? 649 HOH C O 1 HETATM 5128 O O . HOH X 6 . ? 55.961 10.971 -1.416 1.00 46.46 ? 650 HOH C O 1 HETATM 5129 O O . HOH X 6 . ? 57.455 9.055 -3.086 1.00 43.03 ? 651 HOH C O 1 HETATM 5130 O O . HOH X 6 . ? 58.506 5.858 -14.054 1.00 51.28 ? 652 HOH C O 1 HETATM 5131 O O . HOH X 6 . ? 70.801 -9.730 -18.719 1.00 52.66 ? 653 HOH C O 1 HETATM 5132 O O . HOH X 6 . ? 56.300 -19.050 -16.340 1.00 26.72 ? 654 HOH C O 1 HETATM 5133 O O . HOH X 6 . ? 58.862 -20.026 5.690 1.00 49.79 ? 655 HOH C O 1 HETATM 5134 O O . HOH X 6 . ? 61.176 -16.921 8.679 1.00 50.98 ? 656 HOH C O 1 HETATM 5135 O O . HOH X 6 . ? 62.575 -9.152 5.876 1.00 29.64 ? 657 HOH C O 1 HETATM 5136 O O . HOH X 6 . ? 54.890 -21.738 -18.423 1.00 43.42 ? 658 HOH C O 1 HETATM 5137 O O . HOH X 6 . ? 45.700 -20.065 15.815 1.00 49.52 ? 659 HOH C O 1 HETATM 5138 O O . HOH X 6 . ? 45.490 -6.801 -16.056 1.00 44.67 ? 662 HOH C O 1 HETATM 5139 O O . HOH X 6 . ? 62.642 -4.184 9.821 1.00 45.81 ? 663 HOH C O 1 HETATM 5140 O O . HOH X 6 . ? 53.294 -24.539 -1.528 1.00 42.52 ? 664 HOH C O 1 HETATM 5141 O O . HOH X 6 . ? 67.169 -11.503 -7.643 1.00 44.04 ? 665 HOH C O 1 HETATM 5142 O O . HOH X 6 . ? 45.586 -23.717 6.687 1.00 37.20 ? 666 HOH C O 1 HETATM 5143 O O . HOH X 6 . ? 57.963 -19.593 8.981 1.00 46.59 ? 667 HOH C O 1 HETATM 5144 O O . HOH X 6 . ? 36.547 -12.139 -11.724 1.00 50.30 ? 668 HOH C O 1 HETATM 5145 O O . HOH X 6 . ? 44.021 6.650 -5.212 1.00 44.22 ? 689 HOH C O 1 HETATM 5146 O O . HOH X 6 . ? 42.316 6.388 -2.496 1.00 54.33 ? 690 HOH C O 1 HETATM 5147 O O . HOH X 6 . ? 47.729 -6.952 -21.958 1.00 50.01 ? 696 HOH C O 1 HETATM 5148 O O . HOH X 6 . ? 39.395 -12.095 16.639 1.00 47.80 ? 699 HOH C O 1 HETATM 5149 O O . HOH X 6 . ? 54.583 -5.948 18.052 1.00 48.01 ? 713 HOH C O 1 HETATM 5150 O O . HOH X 6 . ? 41.353 -27.018 -3.587 1.00 43.42 ? 714 HOH C O 1 HETATM 5151 O O . HOH X 6 . ? 63.416 -1.739 10.712 1.00 50.05 ? 715 HOH C O 1 HETATM 5152 O O . HOH X 6 . ? 61.293 -6.608 12.236 1.00 40.41 ? 716 HOH C O 1 HETATM 5153 O O . HOH X 6 . ? 59.328 -25.099 -4.507 1.00 47.29 ? 717 HOH C O 1 HETATM 5154 O O . HOH X 6 . ? 65.193 0.260 2.592 1.00 51.10 ? 718 HOH C O 1 HETATM 5155 O O . HOH X 6 . ? 64.109 -18.567 -17.779 1.00 51.04 ? 719 HOH C O 1 HETATM 5156 O O . HOH X 6 . ? 62.482 -16.011 -2.257 1.00 48.19 ? 720 HOH C O 1 HETATM 5157 O O . HOH X 6 . ? 44.981 7.585 0.845 1.00 53.77 ? 721 HOH C O 1 HETATM 5158 O O . HOH X 6 . ? 52.447 -12.081 -21.047 1.00 63.79 ? 722 HOH C O 1 HETATM 5159 O O . HOH X 6 . ? 57.998 13.122 -9.423 1.00 49.13 ? 723 HOH C O 1 HETATM 5160 O O . HOH X 6 . ? 28.246 -18.979 6.407 1.00 41.71 ? 724 HOH C O 1 HETATM 5161 O O . HOH X 6 . ? 45.019 -7.708 -19.308 1.00 56.84 ? 726 HOH C 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 GLY 1 79 79 GLY GLY A . n A 1 2 PRO 2 80 80 PRO PRO A . n A 1 3 GLY 3 81 81 GLY GLY A . n A 1 4 SER 4 82 82 SER SER A . n A 1 5 ALA 5 83 83 ALA ALA A . n A 1 6 THR 6 84 84 THR THR A . n A 1 7 TYR 7 85 85 TYR TYR A . n A 1 8 ILE 8 86 86 ILE ILE A . n A 1 9 PHE 9 87 87 PHE PHE A . n A 1 10 GLY 10 88 88 GLY GLY A . n A 1 11 LYS 11 89 89 LYS LYS A . n A 1 12 SER 12 90 90 SER SER A . n A 1 13 GLY 13 91 91 GLY GLY A . n A 1 14 GLY 14 92 92 GLY GLY A . n A 1 15 LEU 15 93 93 LEU LEU A . n A 1 16 ILE 16 94 94 ILE ILE A . n A 1 17 LEU 17 95 95 LEU LEU A . n A 1 18 TYR 18 96 96 TYR TYR A . n A 1 19 THR 19 97 97 THR THR A . n A 1 20 TRP 20 98 98 TRP TRP A . n A 1 21 PRO 21 99 99 PRO PRO A . n A 1 22 ALA 22 100 100 ALA ALA A . n A 1 23 ASN 23 101 101 ASN ASN A . n A 1 24 ASP 24 102 102 ASP ASP A . n A 1 25 ARG 25 103 103 ARG ARG A . n A 1 26 PRO 26 104 104 PRO PRO A . n A 1 27 SER 27 105 105 SER SER A . n A 1 28 THR 28 106 106 THR THR A . n A 1 29 ARG 29 107 107 ARG ARG A . n A 1 30 SER 30 108 108 SER SER A . n A 1 31 ASP 31 109 109 ASP ASP A . n A 1 32 ARG 32 110 110 ARG ARG A . n A 1 33 LEU 33 111 111 LEU LEU A . n A 1 34 ALA 34 112 112 ALA ALA A . n A 1 35 VAL 35 113 113 VAL VAL A . n A 1 36 GLY 36 114 114 GLY GLY A . n A 1 37 PHE 37 115 115 PHE PHE A . n A 1 38 SER 38 116 116 SER SER A . n A 1 39 THR 39 117 117 THR THR A . n A 1 40 THR 40 118 118 THR THR A . n A 1 41 VAL 41 119 119 VAL VAL A . n A 1 42 LYS 42 120 120 LYS LYS A . n A 1 43 ASP 43 121 121 ASP ASP A . n A 1 44 GLY 44 122 122 GLY GLY A . n A 1 45 ILE 45 123 123 ILE ILE A . n A 1 46 LEU 46 124 124 LEU LEU A . n A 1 47 VAL 47 125 125 VAL VAL A . n A 1 48 ARG 48 126 126 ARG ARG A . n A 1 49 ILE 49 127 127 ILE ILE A . n A 1 50 ASP 50 128 128 ASP ASP A . n A 1 51 SER 51 129 129 SER SER A . n A 1 52 ALA 52 130 130 ALA ALA A . n A 1 53 PRO 53 131 131 PRO PRO A . n A 1 54 GLY 54 132 132 GLY GLY A . n A 1 55 LEU 55 133 133 LEU LEU A . n A 1 56 GLY 56 134 134 GLY GLY A . n A 1 57 ASP 57 135 135 ASP ASP A . n A 1 58 PHE 58 136 136 PHE PHE A . n A 1 59 LEU 59 137 137 LEU LEU A . n A 1 60 GLN 60 138 138 GLN GLN A . n A 1 61 LEU 61 139 139 LEU LEU A . n A 1 62 HIS 62 140 140 HIS HIS A . n A 1 63 ILE 63 141 141 ILE ILE A . n A 1 64 GLU 64 142 142 GLU GLU A . n A 1 65 GLN 65 143 143 GLN GLN A . n A 1 66 GLY 66 144 144 GLY GLY A . n A 1 67 LYS 67 145 145 LYS LYS A . n A 1 68 ILE 68 146 146 ILE ILE A . n A 1 69 GLY 69 147 147 GLY GLY A . n A 1 70 VAL 70 148 148 VAL VAL A . n A 1 71 VAL 71 149 149 VAL VAL A . n A 1 72 PHE 72 150 150 PHE PHE A . n A 1 73 ASN 73 151 151 ASN ASN A . n A 1 74 ILE 74 152 152 ILE ILE A . n A 1 75 GLY 75 153 153 GLY GLY A . n A 1 76 THR 76 154 154 THR THR A . n A 1 77 VAL 77 155 155 VAL VAL A . n A 1 78 ASP 78 156 156 ASP ASP A . n A 1 79 ILE 79 157 157 ILE ILE A . n A 1 80 SER 80 158 158 SER SER A . n A 1 81 ILE 81 159 159 ILE ILE A . n A 1 82 LYS 82 160 160 LYS LYS A . n A 1 83 GLU 83 161 161 GLU GLU A . n A 1 84 GLU 84 162 162 GLU GLU A . n A 1 85 ARG 85 163 163 ARG ARG A . n A 1 86 THR 86 164 164 THR THR A . n A 1 87 PRO 87 165 165 PRO PRO A . n A 1 88 VAL 88 166 166 VAL VAL A . n A 1 89 ASN 89 167 167 ASN ASN A . n A 1 90 ASP 90 168 168 ASP ASP A . n A 1 91 GLY 91 169 169 GLY GLY A . n A 1 92 LYS 92 170 170 LYS LYS A . n A 1 93 TYR 93 171 171 TYR TYR A . n A 1 94 HIS 94 172 172 HIS HIS A . n A 1 95 VAL 95 173 173 VAL VAL A . n A 1 96 VAL 96 174 174 VAL VAL A . n A 1 97 ARG 97 175 175 ARG ARG A . n A 1 98 PHE 98 176 176 PHE PHE A . n A 1 99 THR 99 177 177 THR THR A . n A 1 100 ARG 100 178 178 ARG ARG A . n A 1 101 ASN 101 179 179 ASN ASN A . n A 1 102 GLY 102 180 180 GLY GLY A . n A 1 103 ALA 103 181 181 ALA ALA A . n A 1 104 ASN 104 182 182 ASN ASN A . n A 1 105 ALA 105 183 183 ALA ALA A . n A 1 106 THR 106 184 184 THR THR A . n A 1 107 LEU 107 185 185 LEU LEU A . n A 1 108 GLN 108 186 186 GLN GLN A . n A 1 109 VAL 109 187 187 VAL VAL A . n A 1 110 ASP 110 188 188 ASP ASP A . n A 1 111 ASN 111 189 189 ASN ASN A . n A 1 112 TRP 112 190 190 TRP TRP A . n A 1 113 PRO 113 191 191 PRO PRO A . n A 1 114 VAL 114 192 192 VAL VAL A . n A 1 115 ASN 115 193 193 ASN ASN A . n A 1 116 GLU 116 194 194 GLU GLU A . n A 1 117 HIS 117 195 195 HIS HIS A . n A 1 118 TYR 118 196 196 TYR TYR A . n A 1 119 PRO 119 197 197 PRO PRO A . n A 1 120 THR 120 198 198 THR THR A . n A 1 121 GLY 121 199 199 GLY GLY A . n A 1 122 ARG 122 200 200 ARG ARG A . n A 1 123 GLN 123 201 201 GLN GLN A . n A 1 124 LEU 124 202 202 LEU LEU A . n A 1 125 THR 125 203 203 THR THR A . n A 1 126 ILE 126 204 204 ILE ILE A . n A 1 127 PHE 127 205 205 PHE PHE A . n A 1 128 ASN 128 206 206 ASN ASN A . n A 1 129 THR 129 207 207 THR THR A . n A 1 130 GLN 130 208 208 GLN GLN A . n A 1 131 ALA 131 209 209 ALA ALA A . n A 1 132 GLN 132 210 210 GLN GLN A . n A 1 133 ILE 133 211 211 ILE ILE A . n A 1 134 ALA 134 212 212 ALA ALA A . n A 1 135 ILE 135 213 213 ILE ILE A . n A 1 136 GLY 136 214 214 GLY GLY A . n A 1 137 GLY 137 215 215 GLY GLY A . n A 1 138 LYS 138 216 216 LYS LYS A . n A 1 139 ASP 139 217 217 ASP ASP A . n A 1 140 LYS 140 218 218 LYS LYS A . n A 1 141 GLY 141 219 219 GLY GLY A . n A 1 142 ARG 142 220 220 ARG ARG A . n A 1 143 LEU 143 221 221 LEU LEU A . n A 1 144 PHE 144 222 222 PHE PHE A . n A 1 145 GLN 145 223 223 GLN GLN A . n A 1 146 GLY 146 224 224 GLY GLY A . n A 1 147 GLN 147 225 225 GLN GLN A . n A 1 148 LEU 148 226 226 LEU LEU A . n A 1 149 SER 149 227 227 SER SER A . n A 1 150 GLY 150 228 228 GLY GLY A . n A 1 151 LEU 151 229 229 LEU LEU A . n A 1 152 TYR 152 230 230 TYR TYR A . n A 1 153 TYR 153 231 231 TYR TYR A . n A 1 154 ASP 154 232 232 ASP ASP A . n A 1 155 GLY 155 233 233 GLY GLY A . n A 1 156 LEU 156 234 234 LEU LEU A . n A 1 157 LYS 157 235 235 LYS LYS A . n A 1 158 VAL 158 236 236 VAL VAL A . n A 1 159 LEU 159 237 237 LEU LEU A . n A 1 160 ASN 160 238 238 ASN ASN A . n A 1 161 MET 161 239 239 MET MET A . n A 1 162 ALA 162 240 240 ALA ALA A . n A 1 163 ALA 163 241 241 ALA ALA A . n A 1 164 GLU 164 242 242 GLU GLU A . n A 1 165 ASN 165 243 243 ASN ASN A . n A 1 166 ASN 166 244 244 ASN ASN A . n A 1 167 PRO 167 245 245 PRO PRO A . n A 1 168 ASN 168 246 246 ASN ASN A . n A 1 169 ILE 169 247 247 ILE ILE A . n A 1 170 LYS 170 248 248 LYS LYS A . n A 1 171 ILE 171 249 249 ILE ILE A . n A 1 172 ASN 172 250 250 ASN ASN A . n A 1 173 GLY 173 251 251 GLY GLY A . n A 1 174 SER 174 252 252 SER SER A . n A 1 175 VAL 175 253 253 VAL VAL A . n A 1 176 ARG 176 254 254 ARG ARG A . n A 1 177 LEU 177 255 255 LEU LEU A . n A 1 178 VAL 178 256 256 VAL VAL A . n B 1 1 GLY 1 79 79 GLY GLY B . n B 1 2 PRO 2 80 80 PRO PRO B . n B 1 3 GLY 3 81 81 GLY GLY B . n B 1 4 SER 4 82 82 SER SER B . n B 1 5 ALA 5 83 83 ALA ALA B . n B 1 6 THR 6 84 84 THR THR B . n B 1 7 TYR 7 85 85 TYR TYR B . n B 1 8 ILE 8 86 86 ILE ILE B . n B 1 9 PHE 9 87 87 PHE PHE B . n B 1 10 GLY 10 88 88 GLY GLY B . n B 1 11 LYS 11 89 89 LYS LYS B . n B 1 12 SER 12 90 90 SER SER B . n B 1 13 GLY 13 91 91 GLY GLY B . n B 1 14 GLY 14 92 92 GLY GLY B . n B 1 15 LEU 15 93 93 LEU LEU B . n B 1 16 ILE 16 94 94 ILE ILE B . n B 1 17 LEU 17 95 95 LEU LEU B . n B 1 18 TYR 18 96 96 TYR TYR B . n B 1 19 THR 19 97 97 THR THR B . n B 1 20 TRP 20 98 98 TRP TRP B . n B 1 21 PRO 21 99 99 PRO PRO B . n B 1 22 ALA 22 100 100 ALA ALA B . n B 1 23 ASN 23 101 101 ASN ASN B . n B 1 24 ASP 24 102 102 ASP ASP B . n B 1 25 ARG 25 103 103 ARG ARG B . n B 1 26 PRO 26 104 104 PRO PRO B . n B 1 27 SER 27 105 105 SER SER B . n B 1 28 THR 28 106 106 THR THR B . n B 1 29 ARG 29 107 107 ARG ARG B . n B 1 30 SER 30 108 108 SER SER B . n B 1 31 ASP 31 109 109 ASP ASP B . n B 1 32 ARG 32 110 110 ARG ARG B . n B 1 33 LEU 33 111 111 LEU LEU B . n B 1 34 ALA 34 112 112 ALA ALA B . n B 1 35 VAL 35 113 113 VAL VAL B . n B 1 36 GLY 36 114 114 GLY GLY B . n B 1 37 PHE 37 115 115 PHE PHE B . n B 1 38 SER 38 116 116 SER SER B . n B 1 39 THR 39 117 117 THR THR B . n B 1 40 THR 40 118 118 THR THR B . n B 1 41 VAL 41 119 119 VAL VAL B . n B 1 42 LYS 42 120 120 LYS LYS B . n B 1 43 ASP 43 121 121 ASP ASP B . n B 1 44 GLY 44 122 122 GLY GLY B . n B 1 45 ILE 45 123 123 ILE ILE B . n B 1 46 LEU 46 124 124 LEU LEU B . n B 1 47 VAL 47 125 125 VAL VAL B . n B 1 48 ARG 48 126 126 ARG ARG B . n B 1 49 ILE 49 127 127 ILE ILE B . n B 1 50 ASP 50 128 128 ASP ASP B . n B 1 51 SER 51 129 129 SER SER B . n B 1 52 ALA 52 130 130 ALA ALA B . n B 1 53 PRO 53 131 131 PRO PRO B . n B 1 54 GLY 54 132 132 GLY GLY B . n B 1 55 LEU 55 133 133 LEU LEU B . n B 1 56 GLY 56 134 134 GLY GLY B . n B 1 57 ASP 57 135 135 ASP ASP B . n B 1 58 PHE 58 136 136 PHE PHE B . n B 1 59 LEU 59 137 137 LEU LEU B . n B 1 60 GLN 60 138 138 GLN GLN B . n B 1 61 LEU 61 139 139 LEU LEU B . n B 1 62 HIS 62 140 140 HIS HIS B . n B 1 63 ILE 63 141 141 ILE ILE B . n B 1 64 GLU 64 142 142 GLU GLU B . n B 1 65 GLN 65 143 143 GLN GLN B . n B 1 66 GLY 66 144 144 GLY GLY B . n B 1 67 LYS 67 145 145 LYS LYS B . n B 1 68 ILE 68 146 146 ILE ILE B . n B 1 69 GLY 69 147 147 GLY GLY B . n B 1 70 VAL 70 148 148 VAL VAL B . n B 1 71 VAL 71 149 149 VAL VAL B . n B 1 72 PHE 72 150 150 PHE PHE B . n B 1 73 ASN 73 151 151 ASN ASN B . n B 1 74 ILE 74 152 152 ILE ILE B . n B 1 75 GLY 75 153 153 GLY GLY B . n B 1 76 THR 76 154 154 THR THR B . n B 1 77 VAL 77 155 155 VAL VAL B . n B 1 78 ASP 78 156 156 ASP ASP B . n B 1 79 ILE 79 157 157 ILE ILE B . n B 1 80 SER 80 158 158 SER SER B . n B 1 81 ILE 81 159 159 ILE ILE B . n B 1 82 LYS 82 160 160 LYS LYS B . n B 1 83 GLU 83 161 161 GLU GLU B . n B 1 84 GLU 84 162 162 GLU GLU B . n B 1 85 ARG 85 163 163 ARG ARG B . n B 1 86 THR 86 164 164 THR THR B . n B 1 87 PRO 87 165 165 PRO PRO B . n B 1 88 VAL 88 166 166 VAL VAL B . n B 1 89 ASN 89 167 167 ASN ASN B . n B 1 90 ASP 90 168 168 ASP ASP B . n B 1 91 GLY 91 169 169 GLY GLY B . n B 1 92 LYS 92 170 170 LYS LYS B . n B 1 93 TYR 93 171 171 TYR TYR B . n B 1 94 HIS 94 172 172 HIS HIS B . n B 1 95 VAL 95 173 173 VAL VAL B . n B 1 96 VAL 96 174 174 VAL VAL B . n B 1 97 ARG 97 175 175 ARG ARG B . n B 1 98 PHE 98 176 176 PHE PHE B . n B 1 99 THR 99 177 177 THR THR B . n B 1 100 ARG 100 178 178 ARG ARG B . n B 1 101 ASN 101 179 179 ASN ASN B . n B 1 102 GLY 102 180 180 GLY GLY B . n B 1 103 ALA 103 181 181 ALA ALA B . n B 1 104 ASN 104 182 182 ASN ASN B . n B 1 105 ALA 105 183 183 ALA ALA B . n B 1 106 THR 106 184 184 THR THR B . n B 1 107 LEU 107 185 185 LEU LEU B . n B 1 108 GLN 108 186 186 GLN GLN B . n B 1 109 VAL 109 187 187 VAL VAL B . n B 1 110 ASP 110 188 188 ASP ASP B . n B 1 111 ASN 111 189 189 ASN ASN B . n B 1 112 TRP 112 190 190 TRP TRP B . n B 1 113 PRO 113 191 191 PRO PRO B . n B 1 114 VAL 114 192 192 VAL VAL B . n B 1 115 ASN 115 193 193 ASN ASN B . n B 1 116 GLU 116 194 194 GLU GLU B . n B 1 117 HIS 117 195 195 HIS HIS B . n B 1 118 TYR 118 196 196 TYR TYR B . n B 1 119 PRO 119 197 197 PRO PRO B . n B 1 120 THR 120 198 198 THR THR B . n B 1 121 GLY 121 199 199 GLY GLY B . n B 1 122 ARG 122 200 200 ARG ARG B . n B 1 123 GLN 123 201 201 GLN GLN B . n B 1 124 LEU 124 202 202 LEU LEU B . n B 1 125 THR 125 203 203 THR THR B . n B 1 126 ILE 126 204 204 ILE ILE B . n B 1 127 PHE 127 205 205 PHE PHE B . n B 1 128 ASN 128 206 206 ASN ASN B . n B 1 129 THR 129 207 207 THR THR B . n B 1 130 GLN 130 208 208 GLN GLN B . n B 1 131 ALA 131 209 209 ALA ALA B . n B 1 132 GLN 132 210 210 GLN GLN B . n B 1 133 ILE 133 211 211 ILE ILE B . n B 1 134 ALA 134 212 212 ALA ALA B . n B 1 135 ILE 135 213 213 ILE ILE B . n B 1 136 GLY 136 214 214 GLY GLY B . n B 1 137 GLY 137 215 215 GLY GLY B . n B 1 138 LYS 138 216 216 LYS LYS B . n B 1 139 ASP 139 217 217 ASP ASP B . n B 1 140 LYS 140 218 218 LYS LYS B . n B 1 141 GLY 141 219 219 GLY GLY B . n B 1 142 ARG 142 220 220 ARG ARG B . n B 1 143 LEU 143 221 221 LEU LEU B . n B 1 144 PHE 144 222 222 PHE PHE B . n B 1 145 GLN 145 223 223 GLN GLN B . n B 1 146 GLY 146 224 224 GLY GLY B . n B 1 147 GLN 147 225 225 GLN GLN B . n B 1 148 LEU 148 226 226 LEU LEU B . n B 1 149 SER 149 227 227 SER SER B . n B 1 150 GLY 150 228 228 GLY GLY B . n B 1 151 LEU 151 229 229 LEU LEU B . n B 1 152 TYR 152 230 230 TYR TYR B . n B 1 153 TYR 153 231 231 TYR TYR B . n B 1 154 ASP 154 232 232 ASP ASP B . n B 1 155 GLY 155 233 233 GLY GLY B . n B 1 156 LEU 156 234 234 LEU LEU B . n B 1 157 LYS 157 235 235 LYS LYS B . n B 1 158 VAL 158 236 236 VAL VAL B . n B 1 159 LEU 159 237 237 LEU LEU B . n B 1 160 ASN 160 238 238 ASN ASN B . n B 1 161 MET 161 239 239 MET MET B . n B 1 162 ALA 162 240 240 ALA ALA B . n B 1 163 ALA 163 241 241 ALA ALA B . n B 1 164 GLU 164 242 242 GLU GLU B . n B 1 165 ASN 165 243 243 ASN ASN B . n B 1 166 ASN 166 244 244 ASN ASN B . n B 1 167 PRO 167 245 245 PRO PRO B . n B 1 168 ASN 168 246 246 ASN ASN B . n B 1 169 ILE 169 247 247 ILE ILE B . n B 1 170 LYS 170 248 248 LYS LYS B . n B 1 171 ILE 171 249 249 ILE ILE B . n B 1 172 ASN 172 250 250 ASN ASN B . n B 1 173 GLY 173 251 251 GLY GLY B . n B 1 174 SER 174 252 252 SER SER B . n B 1 175 VAL 175 253 253 VAL VAL B . n B 1 176 ARG 176 254 254 ARG ARG B . n B 1 177 LEU 177 255 255 LEU LEU B . n B 1 178 VAL 178 256 256 VAL VAL B . n C 1 1 GLY 1 79 79 GLY GLY C . n C 1 2 PRO 2 80 80 PRO PRO C . n C 1 3 GLY 3 81 81 GLY GLY C . n C 1 4 SER 4 82 82 SER SER C . n C 1 5 ALA 5 83 83 ALA ALA C . n C 1 6 THR 6 84 84 THR THR C . n C 1 7 TYR 7 85 85 TYR TYR C . n C 1 8 ILE 8 86 86 ILE ILE C . n C 1 9 PHE 9 87 87 PHE PHE C . n C 1 10 GLY 10 88 88 GLY GLY C . n C 1 11 LYS 11 89 89 LYS LYS C . n C 1 12 SER 12 90 90 SER SER C . n C 1 13 GLY 13 91 91 GLY GLY C . n C 1 14 GLY 14 92 92 GLY GLY C . n C 1 15 LEU 15 93 93 LEU LEU C . n C 1 16 ILE 16 94 94 ILE ILE C . n C 1 17 LEU 17 95 95 LEU LEU C . n C 1 18 TYR 18 96 96 TYR TYR C . n C 1 19 THR 19 97 97 THR THR C . n C 1 20 TRP 20 98 98 TRP TRP C . n C 1 21 PRO 21 99 99 PRO PRO C . n C 1 22 ALA 22 100 100 ALA ALA C . n C 1 23 ASN 23 101 101 ASN ASN C . n C 1 24 ASP 24 102 102 ASP ASP C . n C 1 25 ARG 25 103 103 ARG ARG C . n C 1 26 PRO 26 104 104 PRO PRO C . n C 1 27 SER 27 105 105 SER SER C . n C 1 28 THR 28 106 106 THR THR C . n C 1 29 ARG 29 107 107 ARG ARG C . n C 1 30 SER 30 108 108 SER SER C . n C 1 31 ASP 31 109 109 ASP ASP C . n C 1 32 ARG 32 110 110 ARG ARG C . n C 1 33 LEU 33 111 111 LEU LEU C . n C 1 34 ALA 34 112 112 ALA ALA C . n C 1 35 VAL 35 113 113 VAL VAL C . n C 1 36 GLY 36 114 114 GLY GLY C . n C 1 37 PHE 37 115 115 PHE PHE C . n C 1 38 SER 38 116 116 SER SER C . n C 1 39 THR 39 117 117 THR THR C . n C 1 40 THR 40 118 118 THR THR C . n C 1 41 VAL 41 119 119 VAL VAL C . n C 1 42 LYS 42 120 120 LYS LYS C . n C 1 43 ASP 43 121 121 ASP ASP C . n C 1 44 GLY 44 122 122 GLY GLY C . n C 1 45 ILE 45 123 123 ILE ILE C . n C 1 46 LEU 46 124 124 LEU LEU C . n C 1 47 VAL 47 125 125 VAL VAL C . n C 1 48 ARG 48 126 126 ARG ARG C . n C 1 49 ILE 49 127 127 ILE ILE C . n C 1 50 ASP 50 128 128 ASP ASP C . n C 1 51 SER 51 129 129 SER SER C . n C 1 52 ALA 52 130 130 ALA ALA C . n C 1 53 PRO 53 131 131 PRO PRO C . n C 1 54 GLY 54 132 132 GLY GLY C . n C 1 55 LEU 55 133 133 LEU LEU C . n C 1 56 GLY 56 134 134 GLY GLY C . n C 1 57 ASP 57 135 135 ASP ASP C . n C 1 58 PHE 58 136 136 PHE PHE C . n C 1 59 LEU 59 137 137 LEU LEU C . n C 1 60 GLN 60 138 138 GLN GLN C . n C 1 61 LEU 61 139 139 LEU LEU C . n C 1 62 HIS 62 140 140 HIS HIS C . n C 1 63 ILE 63 141 141 ILE ILE C . n C 1 64 GLU 64 142 142 GLU GLU C . n C 1 65 GLN 65 143 143 GLN GLN C . n C 1 66 GLY 66 144 144 GLY GLY C . n C 1 67 LYS 67 145 145 LYS LYS C . n C 1 68 ILE 68 146 146 ILE ILE C . n C 1 69 GLY 69 147 147 GLY GLY C . n C 1 70 VAL 70 148 148 VAL VAL C . n C 1 71 VAL 71 149 149 VAL VAL C . n C 1 72 PHE 72 150 150 PHE PHE C . n C 1 73 ASN 73 151 151 ASN ASN C . n C 1 74 ILE 74 152 152 ILE ILE C . n C 1 75 GLY 75 153 153 GLY GLY C . n C 1 76 THR 76 154 154 THR THR C . n C 1 77 VAL 77 155 155 VAL VAL C . n C 1 78 ASP 78 156 156 ASP ASP C . n C 1 79 ILE 79 157 157 ILE ILE C . n C 1 80 SER 80 158 158 SER SER C . n C 1 81 ILE 81 159 159 ILE ILE C . n C 1 82 LYS 82 160 160 LYS LYS C . n C 1 83 GLU 83 161 161 GLU GLU C . n C 1 84 GLU 84 162 162 GLU GLU C . n C 1 85 ARG 85 163 163 ARG ARG C . n C 1 86 THR 86 164 164 THR THR C . n C 1 87 PRO 87 165 165 PRO PRO C . n C 1 88 VAL 88 166 166 VAL VAL C . n C 1 89 ASN 89 167 167 ASN ASN C . n C 1 90 ASP 90 168 168 ASP ASP C . n C 1 91 GLY 91 169 169 GLY GLY C . n C 1 92 LYS 92 170 170 LYS LYS C . n C 1 93 TYR 93 171 171 TYR TYR C . n C 1 94 HIS 94 172 172 HIS HIS C . n C 1 95 VAL 95 173 173 VAL VAL C . n C 1 96 VAL 96 174 174 VAL VAL C . n C 1 97 ARG 97 175 175 ARG ARG C . n C 1 98 PHE 98 176 176 PHE PHE C . n C 1 99 THR 99 177 177 THR THR C . n C 1 100 ARG 100 178 178 ARG ARG C . n C 1 101 ASN 101 179 179 ASN ASN C . n C 1 102 GLY 102 180 180 GLY GLY C . n C 1 103 ALA 103 181 181 ALA ALA C . n C 1 104 ASN 104 182 182 ASN ASN C . n C 1 105 ALA 105 183 183 ALA ALA C . n C 1 106 THR 106 184 184 THR THR C . n C 1 107 LEU 107 185 185 LEU LEU C . n C 1 108 GLN 108 186 186 GLN GLN C . n C 1 109 VAL 109 187 187 VAL VAL C . n C 1 110 ASP 110 188 188 ASP ASP C . n C 1 111 ASN 111 189 189 ASN ASN C . n C 1 112 TRP 112 190 190 TRP TRP C . n C 1 113 PRO 113 191 191 PRO PRO C . n C 1 114 VAL 114 192 192 VAL VAL C . n C 1 115 ASN 115 193 193 ASN ASN C . n C 1 116 GLU 116 194 194 GLU GLU C . n C 1 117 HIS 117 195 195 HIS HIS C . n C 1 118 TYR 118 196 196 TYR TYR C . n C 1 119 PRO 119 197 197 PRO PRO C . n C 1 120 THR 120 198 198 THR THR C . n C 1 121 GLY 121 199 199 GLY GLY C . n C 1 122 ARG 122 200 200 ARG ARG C . n C 1 123 GLN 123 201 201 GLN GLN C . n C 1 124 LEU 124 202 202 LEU LEU C . n C 1 125 THR 125 203 203 THR THR C . n C 1 126 ILE 126 204 204 ILE ILE C . n C 1 127 PHE 127 205 205 PHE PHE C . n C 1 128 ASN 128 206 206 ASN ASN C . n C 1 129 THR 129 207 207 THR THR C . n C 1 130 GLN 130 208 208 GLN GLN C . n C 1 131 ALA 131 209 209 ALA ALA C . n C 1 132 GLN 132 210 210 GLN GLN C . n C 1 133 ILE 133 211 211 ILE ILE C . n C 1 134 ALA 134 212 212 ALA ALA C . n C 1 135 ILE 135 213 213 ILE ILE C . n C 1 136 GLY 136 214 214 GLY GLY C . n C 1 137 GLY 137 215 215 GLY GLY C . n C 1 138 LYS 138 216 216 LYS LYS C . n C 1 139 ASP 139 217 217 ASP ASP C . n C 1 140 LYS 140 218 218 LYS LYS C . n C 1 141 GLY 141 219 219 GLY GLY C . n C 1 142 ARG 142 220 220 ARG ARG C . n C 1 143 LEU 143 221 221 LEU LEU C . n C 1 144 PHE 144 222 222 PHE PHE C . n C 1 145 GLN 145 223 223 GLN GLN C . n C 1 146 GLY 146 224 224 GLY GLY C . n C 1 147 GLN 147 225 225 GLN GLN C . n C 1 148 LEU 148 226 226 LEU LEU C . n C 1 149 SER 149 227 227 SER SER C . n C 1 150 GLY 150 228 228 GLY GLY C . n C 1 151 LEU 151 229 229 LEU LEU C . n C 1 152 TYR 152 230 230 TYR TYR C . n C 1 153 TYR 153 231 231 TYR TYR C . n C 1 154 ASP 154 232 232 ASP ASP C . n C 1 155 GLY 155 233 233 GLY GLY C . n C 1 156 LEU 156 234 234 LEU LEU C . n C 1 157 LYS 157 235 235 LYS LYS C . n C 1 158 VAL 158 236 236 VAL VAL C . n C 1 159 LEU 159 237 237 LEU LEU C . n C 1 160 ASN 160 238 238 ASN ASN C . n C 1 161 MET 161 239 239 MET MET C . n C 1 162 ALA 162 240 240 ALA ALA C . n C 1 163 ALA 163 241 241 ALA ALA C . n C 1 164 GLU 164 242 242 GLU GLU C . n C 1 165 ASN 165 243 243 ASN ASN C . n C 1 166 ASN 166 244 244 ASN ASN C . n C 1 167 PRO 167 245 245 PRO PRO C . n C 1 168 ASN 168 246 246 ASN ASN C . n C 1 169 ILE 169 247 247 ILE ILE C . n C 1 170 LYS 170 248 248 LYS LYS C . n C 1 171 ILE 171 249 249 ILE ILE C . n C 1 172 ASN 172 250 250 ASN ASN C . n C 1 173 GLY 173 251 251 GLY GLY C . n C 1 174 SER 174 252 252 SER SER C . n C 1 175 VAL 175 253 253 VAL VAL C . n C 1 176 ARG 176 254 254 ARG ARG C . n C 1 177 LEU 177 255 255 LEU LEU C . n C 1 178 VAL 178 256 256 VAL VAL C . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code D 2 CA 1 1 1 CA CA A . E 3 NAG 1 301 301 NAG NAG A . F 3 NAG 2 302 302 NAG NAG A . G 4 BMA 3 303 303 BMA BMA A . H 5 SO4 1 257 1 SO4 SO4 A . I 5 SO4 1 4 4 SO4 SO4 A . J 3 NAG 1 301 301 NAG NAG B . K 3 NAG 2 302 302 NAG NAG B . L 4 BMA 3 303 303 BMA BMA B . M 5 SO4 1 2 2 SO4 SO4 B . N 5 SO4 1 3 3 SO4 SO4 B . O 5 SO4 1 5 5 SO4 SO4 B . P 3 NAG 1 301 301 NAG NAG C . Q 3 NAG 2 302 302 NAG NAG C . R 4 BMA 3 303 303 BMA BMA C . S 5 SO4 1 6 6 SO4 SO4 C . T 5 SO4 1 7 7 SO4 SO4 C . U 5 SO4 1 8 8 SO4 SO4 C . V 6 HOH 1 2 2 HOH HOH A . V 6 HOH 2 3 3 HOH HOH A . V 6 HOH 3 6 6 HOH HOH A . V 6 HOH 4 11 11 HOH HOH A . V 6 HOH 5 17 17 HOH HOH A . V 6 HOH 6 18 18 HOH HOH A . V 6 HOH 7 25 25 HOH HOH A . V 6 HOH 8 26 26 HOH HOH A . V 6 HOH 9 29 29 HOH HOH A . V 6 HOH 10 30 30 HOH HOH A . V 6 HOH 11 34 34 HOH HOH A . V 6 HOH 12 35 35 HOH HOH A . V 6 HOH 13 36 36 HOH HOH A . V 6 HOH 14 37 37 HOH HOH A . V 6 HOH 15 42 42 HOH HOH A . V 6 HOH 16 45 45 HOH HOH A . V 6 HOH 17 47 47 HOH HOH A . V 6 HOH 18 52 52 HOH HOH A . V 6 HOH 19 54 54 HOH HOH A . V 6 HOH 20 56 56 HOH HOH A . V 6 HOH 21 59 59 HOH HOH A . V 6 HOH 22 60 60 HOH HOH A . V 6 HOH 23 63 63 HOH HOH A . V 6 HOH 24 68 68 HOH HOH A . V 6 HOH 25 72 72 HOH HOH A . V 6 HOH 26 73 73 HOH HOH A . V 6 HOH 27 76 76 HOH HOH A . V 6 HOH 28 78 78 HOH HOH A . V 6 HOH 29 258 1 HOH HOH A . V 6 HOH 30 259 259 HOH HOH A . V 6 HOH 31 260 260 HOH HOH A . V 6 HOH 32 261 261 HOH HOH A . V 6 HOH 33 262 4 HOH HOH A . V 6 HOH 34 263 81 HOH HOH A . V 6 HOH 35 264 83 HOH HOH A . V 6 HOH 36 265 84 HOH HOH A . V 6 HOH 37 266 85 HOH HOH A . V 6 HOH 38 267 87 HOH HOH A . V 6 HOH 39 268 268 HOH HOH A . V 6 HOH 40 269 89 HOH HOH A . V 6 HOH 41 270 90 HOH HOH A . V 6 HOH 42 271 91 HOH HOH A . V 6 HOH 43 272 272 HOH HOH A . V 6 HOH 44 273 93 HOH HOH A . V 6 HOH 45 274 274 HOH HOH A . V 6 HOH 46 275 99 HOH HOH A . V 6 HOH 47 276 276 HOH HOH A . V 6 HOH 48 277 100 HOH HOH A . V 6 HOH 49 278 101 HOH HOH A . V 6 HOH 50 279 103 HOH HOH A . V 6 HOH 51 280 104 HOH HOH A . V 6 HOH 52 281 105 HOH HOH A . V 6 HOH 53 282 106 HOH HOH A . V 6 HOH 54 283 283 HOH HOH A . V 6 HOH 55 284 284 HOH HOH A . V 6 HOH 56 285 107 HOH HOH A . V 6 HOH 57 286 111 HOH HOH A . V 6 HOH 58 287 112 HOH HOH A . V 6 HOH 59 288 114 HOH HOH A . V 6 HOH 60 289 115 HOH HOH A . V 6 HOH 61 290 290 HOH HOH A . V 6 HOH 62 291 117 HOH HOH A . V 6 HOH 63 292 118 HOH HOH A . V 6 HOH 64 293 119 HOH HOH A . V 6 HOH 65 294 294 HOH HOH A . V 6 HOH 66 295 120 HOH HOH A . V 6 HOH 67 296 125 HOH HOH A . V 6 HOH 68 297 297 HOH HOH A . V 6 HOH 69 298 127 HOH HOH A . V 6 HOH 70 299 299 HOH HOH A . V 6 HOH 71 300 130 HOH HOH A . V 6 HOH 72 304 304 HOH HOH A . V 6 HOH 73 305 134 HOH HOH A . V 6 HOH 74 306 137 HOH HOH A . V 6 HOH 75 307 140 HOH HOH A . V 6 HOH 76 308 143 HOH HOH A . V 6 HOH 77 309 309 HOH HOH A . V 6 HOH 78 310 145 HOH HOH A . V 6 HOH 79 311 147 HOH HOH A . V 6 HOH 80 312 148 HOH HOH A . V 6 HOH 81 313 313 HOH HOH A . V 6 HOH 82 314 314 HOH HOH A . V 6 HOH 83 315 315 HOH HOH A . V 6 HOH 84 316 150 HOH HOH A . V 6 HOH 85 317 155 HOH HOH A . V 6 HOH 86 318 318 HOH HOH A . V 6 HOH 87 319 160 HOH HOH A . V 6 HOH 88 321 162 HOH HOH A . V 6 HOH 89 322 164 HOH HOH A . V 6 HOH 90 323 323 HOH HOH A . V 6 HOH 91 324 166 HOH HOH A . V 6 HOH 92 325 169 HOH HOH A . V 6 HOH 93 326 326 HOH HOH A . V 6 HOH 94 327 174 HOH HOH A . V 6 HOH 95 328 328 HOH HOH A . V 6 HOH 96 329 329 HOH HOH A . V 6 HOH 97 330 177 HOH HOH A . V 6 HOH 98 331 183 HOH HOH A . V 6 HOH 99 332 184 HOH HOH A . V 6 HOH 100 333 185 HOH HOH A . V 6 HOH 101 334 186 HOH HOH A . V 6 HOH 102 335 335 HOH HOH A . V 6 HOH 103 336 336 HOH HOH A . V 6 HOH 104 337 187 HOH HOH A . V 6 HOH 105 338 338 HOH HOH A . V 6 HOH 106 339 339 HOH HOH A . V 6 HOH 107 340 340 HOH HOH A . V 6 HOH 108 341 193 HOH HOH A . V 6 HOH 109 342 194 HOH HOH A . V 6 HOH 110 343 343 HOH HOH A . V 6 HOH 111 344 199 HOH HOH A . V 6 HOH 112 345 345 HOH HOH A . V 6 HOH 113 346 201 HOH HOH A . V 6 HOH 114 347 202 HOH HOH A . V 6 HOH 115 348 204 HOH HOH A . V 6 HOH 116 349 206 HOH HOH A . V 6 HOH 117 350 350 HOH HOH A . V 6 HOH 118 351 207 HOH HOH A . V 6 HOH 119 352 352 HOH HOH A . V 6 HOH 120 353 212 HOH HOH A . V 6 HOH 121 354 219 HOH HOH A . V 6 HOH 122 355 355 HOH HOH A . V 6 HOH 123 356 221 HOH HOH A . V 6 HOH 124 357 227 HOH HOH A . V 6 HOH 125 358 231 HOH HOH A . V 6 HOH 126 359 359 HOH HOH A . V 6 HOH 127 360 234 HOH HOH A . V 6 HOH 128 361 238 HOH HOH A . V 6 HOH 129 362 362 HOH HOH A . V 6 HOH 130 363 242 HOH HOH A . V 6 HOH 131 364 364 HOH HOH A . V 6 HOH 132 365 244 HOH HOH A . V 6 HOH 133 366 250 HOH HOH A . V 6 HOH 134 367 367 HOH HOH A . V 6 HOH 135 368 303 HOH HOH A . V 6 HOH 136 373 373 HOH HOH A . V 6 HOH 137 375 375 HOH HOH A . V 6 HOH 138 380 380 HOH HOH A . V 6 HOH 139 388 388 HOH HOH A . V 6 HOH 140 392 392 HOH HOH A . V 6 HOH 141 394 394 HOH HOH A . V 6 HOH 142 395 395 HOH HOH A . V 6 HOH 143 396 396 HOH HOH A . V 6 HOH 144 398 398 HOH HOH A . V 6 HOH 145 402 402 HOH HOH A . V 6 HOH 146 403 403 HOH HOH A . V 6 HOH 147 412 412 HOH HOH A . V 6 HOH 148 415 415 HOH HOH A . V 6 HOH 149 416 416 HOH HOH A . V 6 HOH 150 421 421 HOH HOH A . V 6 HOH 151 425 425 HOH HOH A . V 6 HOH 152 426 426 HOH HOH A . V 6 HOH 153 431 431 HOH HOH A . V 6 HOH 154 432 432 HOH HOH A . V 6 HOH 155 434 434 HOH HOH A . V 6 HOH 156 436 436 HOH HOH A . V 6 HOH 157 437 437 HOH HOH A . V 6 HOH 158 445 445 HOH HOH A . V 6 HOH 159 451 451 HOH HOH A . V 6 HOH 160 461 461 HOH HOH A . V 6 HOH 161 465 465 HOH HOH A . V 6 HOH 162 469 469 HOH HOH A . V 6 HOH 163 472 472 HOH HOH A . V 6 HOH 164 476 476 HOH HOH A . V 6 HOH 165 479 479 HOH HOH A . V 6 HOH 166 481 481 HOH HOH A . V 6 HOH 167 485 485 HOH HOH A . V 6 HOH 168 489 489 HOH HOH A . V 6 HOH 169 490 490 HOH HOH A . V 6 HOH 170 496 496 HOH HOH A . V 6 HOH 171 500 500 HOH HOH A . V 6 HOH 172 501 501 HOH HOH A . V 6 HOH 173 505 505 HOH HOH A . V 6 HOH 174 506 506 HOH HOH A . V 6 HOH 175 507 507 HOH HOH A . V 6 HOH 176 508 508 HOH HOH A . V 6 HOH 177 509 509 HOH HOH A . V 6 HOH 178 510 510 HOH HOH A . V 6 HOH 179 511 511 HOH HOH A . V 6 HOH 180 513 513 HOH HOH A . V 6 HOH 181 518 518 HOH HOH A . V 6 HOH 182 519 519 HOH HOH A . V 6 HOH 183 531 531 HOH HOH A . V 6 HOH 184 532 532 HOH HOH A . V 6 HOH 185 533 533 HOH HOH A . V 6 HOH 186 534 534 HOH HOH A . V 6 HOH 187 535 535 HOH HOH A . V 6 HOH 188 536 536 HOH HOH A . V 6 HOH 189 537 537 HOH HOH A . V 6 HOH 190 540 540 HOH HOH A . V 6 HOH 191 541 541 HOH HOH A . V 6 HOH 192 542 542 HOH HOH A . V 6 HOH 193 543 543 HOH HOH A . V 6 HOH 194 544 544 HOH HOH A . V 6 HOH 195 547 547 HOH HOH A . V 6 HOH 196 548 548 HOH HOH A . V 6 HOH 197 549 549 HOH HOH A . V 6 HOH 198 550 550 HOH HOH A . V 6 HOH 199 551 551 HOH HOH A . V 6 HOH 200 552 552 HOH HOH A . V 6 HOH 201 553 553 HOH HOH A . V 6 HOH 202 554 554 HOH HOH A . V 6 HOH 203 557 557 HOH HOH A . V 6 HOH 204 558 558 HOH HOH A . V 6 HOH 205 559 559 HOH HOH A . V 6 HOH 206 560 560 HOH HOH A . V 6 HOH 207 561 561 HOH HOH A . V 6 HOH 208 562 562 HOH HOH A . V 6 HOH 209 568 568 HOH HOH A . V 6 HOH 210 571 571 HOH HOH A . V 6 HOH 211 576 576 HOH HOH A . V 6 HOH 212 589 589 HOH HOH A . V 6 HOH 213 590 590 HOH HOH A . V 6 HOH 214 591 591 HOH HOH A . V 6 HOH 215 592 592 HOH HOH A . V 6 HOH 216 593 593 HOH HOH A . V 6 HOH 217 594 594 HOH HOH A . V 6 HOH 218 595 595 HOH HOH A . V 6 HOH 219 597 597 HOH HOH A . V 6 HOH 220 598 598 HOH HOH A . V 6 HOH 221 599 599 HOH HOH A . V 6 HOH 222 600 600 HOH HOH A . V 6 HOH 223 601 601 HOH HOH A . V 6 HOH 224 621 621 HOH HOH A . V 6 HOH 225 622 622 HOH HOH A . V 6 HOH 226 623 623 HOH HOH A . V 6 HOH 227 624 624 HOH HOH A . V 6 HOH 228 625 625 HOH HOH A . V 6 HOH 229 626 626 HOH HOH A . V 6 HOH 230 627 627 HOH HOH A . V 6 HOH 231 639 639 HOH HOH A . V 6 HOH 232 641 641 HOH HOH A . V 6 HOH 233 642 642 HOH HOH A . V 6 HOH 234 643 643 HOH HOH A . V 6 HOH 235 669 669 HOH HOH A . V 6 HOH 236 670 670 HOH HOH A . V 6 HOH 237 671 671 HOH HOH A . V 6 HOH 238 672 672 HOH HOH A . V 6 HOH 239 673 673 HOH HOH A . V 6 HOH 240 674 674 HOH HOH A . V 6 HOH 241 675 675 HOH HOH A . V 6 HOH 242 676 676 HOH HOH A . V 6 HOH 243 677 677 HOH HOH A . V 6 HOH 244 678 678 HOH HOH A . V 6 HOH 245 679 679 HOH HOH A . V 6 HOH 246 680 680 HOH HOH A . V 6 HOH 247 681 681 HOH HOH A . V 6 HOH 248 682 682 HOH HOH A . V 6 HOH 249 683 683 HOH HOH A . V 6 HOH 250 684 684 HOH HOH A . V 6 HOH 251 686 686 HOH HOH A . V 6 HOH 252 688 688 HOH HOH A . V 6 HOH 253 695 695 HOH HOH A . V 6 HOH 254 701 701 HOH HOH A . V 6 HOH 255 729 729 HOH HOH A . W 6 HOH 1 8 8 HOH HOH B . W 6 HOH 2 10 10 HOH HOH B . W 6 HOH 3 14 14 HOH HOH B . W 6 HOH 4 15 15 HOH HOH B . W 6 HOH 5 16 16 HOH HOH B . W 6 HOH 6 19 19 HOH HOH B . W 6 HOH 7 21 21 HOH HOH B . W 6 HOH 8 24 24 HOH HOH B . W 6 HOH 9 31 31 HOH HOH B . W 6 HOH 10 38 38 HOH HOH B . W 6 HOH 11 39 39 HOH HOH B . W 6 HOH 12 41 41 HOH HOH B . W 6 HOH 13 43 43 HOH HOH B . W 6 HOH 14 46 46 HOH HOH B . W 6 HOH 15 49 49 HOH HOH B . W 6 HOH 16 50 50 HOH HOH B . W 6 HOH 17 53 53 HOH HOH B . W 6 HOH 18 55 55 HOH HOH B . W 6 HOH 19 57 57 HOH HOH B . W 6 HOH 20 58 58 HOH HOH B . W 6 HOH 21 61 61 HOH HOH B . W 6 HOH 22 62 62 HOH HOH B . W 6 HOH 23 70 70 HOH HOH B . W 6 HOH 24 71 71 HOH HOH B . W 6 HOH 25 77 77 HOH HOH B . W 6 HOH 26 257 79 HOH HOH B . W 6 HOH 27 258 258 HOH HOH B . W 6 HOH 28 259 80 HOH HOH B . W 6 HOH 29 260 82 HOH HOH B . W 6 HOH 30 261 86 HOH HOH B . W 6 HOH 31 262 88 HOH HOH B . W 6 HOH 32 263 263 HOH HOH B . W 6 HOH 33 264 264 HOH HOH B . W 6 HOH 34 265 92 HOH HOH B . W 6 HOH 35 266 94 HOH HOH B . W 6 HOH 36 267 267 HOH HOH B . W 6 HOH 37 268 95 HOH HOH B . W 6 HOH 38 269 96 HOH HOH B . W 6 HOH 39 270 270 HOH HOH B . W 6 HOH 40 271 98 HOH HOH B . W 6 HOH 41 272 102 HOH HOH B . W 6 HOH 42 273 273 HOH HOH B . W 6 HOH 43 274 108 HOH HOH B . W 6 HOH 44 275 122 HOH HOH B . W 6 HOH 45 276 123 HOH HOH B . W 6 HOH 46 277 277 HOH HOH B . W 6 HOH 47 278 278 HOH HOH B . W 6 HOH 48 279 124 HOH HOH B . W 6 HOH 49 280 280 HOH HOH B . W 6 HOH 50 281 132 HOH HOH B . W 6 HOH 51 282 133 HOH HOH B . W 6 HOH 52 283 135 HOH HOH B . W 6 HOH 53 284 136 HOH HOH B . W 6 HOH 54 285 139 HOH HOH B . W 6 HOH 55 286 286 HOH HOH B . W 6 HOH 56 287 287 HOH HOH B . W 6 HOH 57 288 144 HOH HOH B . W 6 HOH 58 289 149 HOH HOH B . W 6 HOH 59 290 152 HOH HOH B . W 6 HOH 60 291 153 HOH HOH B . W 6 HOH 61 292 154 HOH HOH B . W 6 HOH 62 293 156 HOH HOH B . W 6 HOH 63 294 157 HOH HOH B . W 6 HOH 64 295 295 HOH HOH B . W 6 HOH 65 296 296 HOH HOH B . W 6 HOH 66 297 158 HOH HOH B . W 6 HOH 67 298 159 HOH HOH B . W 6 HOH 68 299 161 HOH HOH B . W 6 HOH 69 300 167 HOH HOH B . W 6 HOH 70 304 168 HOH HOH B . W 6 HOH 71 305 170 HOH HOH B . W 6 HOH 72 306 306 HOH HOH B . W 6 HOH 73 307 307 HOH HOH B . W 6 HOH 74 308 171 HOH HOH B . W 6 HOH 75 309 172 HOH HOH B . W 6 HOH 76 310 173 HOH HOH B . W 6 HOH 77 311 311 HOH HOH B . W 6 HOH 78 312 175 HOH HOH B . W 6 HOH 79 313 179 HOH HOH B . W 6 HOH 80 314 180 HOH HOH B . W 6 HOH 81 315 182 HOH HOH B . W 6 HOH 82 316 188 HOH HOH B . W 6 HOH 83 317 317 HOH HOH B . W 6 HOH 84 318 191 HOH HOH B . W 6 HOH 85 319 196 HOH HOH B . W 6 HOH 86 320 205 HOH HOH B . W 6 HOH 87 321 209 HOH HOH B . W 6 HOH 88 322 210 HOH HOH B . W 6 HOH 89 323 213 HOH HOH B . W 6 HOH 90 324 324 HOH HOH B . W 6 HOH 91 325 214 HOH HOH B . W 6 HOH 92 326 216 HOH HOH B . W 6 HOH 93 327 217 HOH HOH B . W 6 HOH 94 328 218 HOH HOH B . W 6 HOH 95 329 222 HOH HOH B . W 6 HOH 96 330 223 HOH HOH B . W 6 HOH 97 331 225 HOH HOH B . W 6 HOH 98 332 332 HOH HOH B . W 6 HOH 99 333 333 HOH HOH B . W 6 HOH 100 334 228 HOH HOH B . W 6 HOH 101 335 230 HOH HOH B . W 6 HOH 102 336 232 HOH HOH B . W 6 HOH 103 337 337 HOH HOH B . W 6 HOH 104 338 235 HOH HOH B . W 6 HOH 105 339 239 HOH HOH B . W 6 HOH 106 340 240 HOH HOH B . W 6 HOH 107 341 341 HOH HOH B . W 6 HOH 108 342 342 HOH HOH B . W 6 HOH 109 343 251 HOH HOH B . W 6 HOH 110 344 344 HOH HOH B . W 6 HOH 111 345 252 HOH HOH B . W 6 HOH 112 346 346 HOH HOH B . W 6 HOH 113 347 253 HOH HOH B . W 6 HOH 114 348 348 HOH HOH B . W 6 HOH 115 349 349 HOH HOH B . W 6 HOH 116 350 254 HOH HOH B . W 6 HOH 117 351 351 HOH HOH B . W 6 HOH 118 352 255 HOH HOH B . W 6 HOH 119 353 301 HOH HOH B . W 6 HOH 120 354 354 HOH HOH B . W 6 HOH 121 356 356 HOH HOH B . W 6 HOH 122 357 357 HOH HOH B . W 6 HOH 123 360 360 HOH HOH B . W 6 HOH 124 361 361 HOH HOH B . W 6 HOH 125 365 365 HOH HOH B . W 6 HOH 126 366 366 HOH HOH B . W 6 HOH 127 371 371 HOH HOH B . W 6 HOH 128 372 372 HOH HOH B . W 6 HOH 129 376 376 HOH HOH B . W 6 HOH 130 377 377 HOH HOH B . W 6 HOH 131 384 384 HOH HOH B . W 6 HOH 132 386 386 HOH HOH B . W 6 HOH 133 390 390 HOH HOH B . W 6 HOH 134 391 391 HOH HOH B . W 6 HOH 135 401 401 HOH HOH B . W 6 HOH 136 404 404 HOH HOH B . W 6 HOH 137 405 405 HOH HOH B . W 6 HOH 138 406 406 HOH HOH B . W 6 HOH 139 414 414 HOH HOH B . W 6 HOH 140 417 417 HOH HOH B . W 6 HOH 141 418 418 HOH HOH B . W 6 HOH 142 420 420 HOH HOH B . W 6 HOH 143 424 424 HOH HOH B . W 6 HOH 144 428 428 HOH HOH B . W 6 HOH 145 429 429 HOH HOH B . W 6 HOH 146 440 440 HOH HOH B . W 6 HOH 147 441 441 HOH HOH B . W 6 HOH 148 442 442 HOH HOH B . W 6 HOH 149 443 443 HOH HOH B . W 6 HOH 150 447 447 HOH HOH B . W 6 HOH 151 449 449 HOH HOH B . W 6 HOH 152 452 452 HOH HOH B . W 6 HOH 153 454 454 HOH HOH B . W 6 HOH 154 455 455 HOH HOH B . W 6 HOH 155 456 456 HOH HOH B . W 6 HOH 156 457 457 HOH HOH B . W 6 HOH 157 462 462 HOH HOH B . W 6 HOH 158 463 463 HOH HOH B . W 6 HOH 159 464 464 HOH HOH B . W 6 HOH 160 470 470 HOH HOH B . W 6 HOH 161 475 475 HOH HOH B . W 6 HOH 162 477 477 HOH HOH B . W 6 HOH 163 480 480 HOH HOH B . W 6 HOH 164 487 487 HOH HOH B . W 6 HOH 165 492 492 HOH HOH B . W 6 HOH 166 493 493 HOH HOH B . W 6 HOH 167 494 494 HOH HOH B . W 6 HOH 168 495 495 HOH HOH B . W 6 HOH 169 498 498 HOH HOH B . W 6 HOH 170 499 499 HOH HOH B . W 6 HOH 171 514 514 HOH HOH B . W 6 HOH 172 515 515 HOH HOH B . W 6 HOH 173 516 516 HOH HOH B . W 6 HOH 174 517 517 HOH HOH B . W 6 HOH 175 520 520 HOH HOH B . W 6 HOH 176 521 521 HOH HOH B . W 6 HOH 177 522 522 HOH HOH B . W 6 HOH 178 523 523 HOH HOH B . W 6 HOH 179 524 524 HOH HOH B . W 6 HOH 180 525 525 HOH HOH B . W 6 HOH 181 538 538 HOH HOH B . W 6 HOH 182 539 539 HOH HOH B . W 6 HOH 183 545 545 HOH HOH B . W 6 HOH 184 546 546 HOH HOH B . W 6 HOH 185 556 556 HOH HOH B . W 6 HOH 186 563 563 HOH HOH B . W 6 HOH 187 565 565 HOH HOH B . W 6 HOH 188 566 566 HOH HOH B . W 6 HOH 189 567 567 HOH HOH B . W 6 HOH 190 569 569 HOH HOH B . W 6 HOH 191 570 570 HOH HOH B . W 6 HOH 192 572 572 HOH HOH B . W 6 HOH 193 573 573 HOH HOH B . W 6 HOH 194 574 574 HOH HOH B . W 6 HOH 195 575 575 HOH HOH B . W 6 HOH 196 577 577 HOH HOH B . W 6 HOH 197 578 578 HOH HOH B . W 6 HOH 198 579 579 HOH HOH B . W 6 HOH 199 580 580 HOH HOH B . W 6 HOH 200 581 581 HOH HOH B . W 6 HOH 201 582 582 HOH HOH B . W 6 HOH 202 583 583 HOH HOH B . W 6 HOH 203 584 584 HOH HOH B . W 6 HOH 204 585 585 HOH HOH B . W 6 HOH 205 587 587 HOH HOH B . W 6 HOH 206 588 588 HOH HOH B . W 6 HOH 207 596 596 HOH HOH B . W 6 HOH 208 602 602 HOH HOH B . W 6 HOH 209 603 603 HOH HOH B . W 6 HOH 210 604 604 HOH HOH B . W 6 HOH 211 605 605 HOH HOH B . W 6 HOH 212 606 606 HOH HOH B . W 6 HOH 213 628 628 HOH HOH B . W 6 HOH 214 629 629 HOH HOH B . W 6 HOH 215 630 630 HOH HOH B . W 6 HOH 216 631 631 HOH HOH B . W 6 HOH 217 632 632 HOH HOH B . W 6 HOH 218 633 633 HOH HOH B . W 6 HOH 219 640 640 HOH HOH B . W 6 HOH 220 644 644 HOH HOH B . W 6 HOH 221 645 645 HOH HOH B . W 6 HOH 222 646 646 HOH HOH B . W 6 HOH 223 647 647 HOH HOH B . W 6 HOH 224 648 648 HOH HOH B . W 6 HOH 225 660 660 HOH HOH B . W 6 HOH 226 661 661 HOH HOH B . W 6 HOH 227 685 685 HOH HOH B . W 6 HOH 228 687 687 HOH HOH B . W 6 HOH 229 691 691 HOH HOH B . W 6 HOH 230 692 692 HOH HOH B . W 6 HOH 231 693 693 HOH HOH B . W 6 HOH 232 694 694 HOH HOH B . W 6 HOH 233 697 697 HOH HOH B . W 6 HOH 234 698 698 HOH HOH B . W 6 HOH 235 700 700 HOH HOH B . W 6 HOH 236 702 702 HOH HOH B . W 6 HOH 237 703 703 HOH HOH B . W 6 HOH 238 704 704 HOH HOH B . W 6 HOH 239 705 705 HOH HOH B . W 6 HOH 240 706 706 HOH HOH B . W 6 HOH 241 707 707 HOH HOH B . W 6 HOH 242 708 708 HOH HOH B . W 6 HOH 243 709 709 HOH HOH B . W 6 HOH 244 710 710 HOH HOH B . W 6 HOH 245 711 711 HOH HOH B . W 6 HOH 246 712 712 HOH HOH B . W 6 HOH 247 725 725 HOH HOH B . W 6 HOH 248 727 727 HOH HOH B . W 6 HOH 249 728 728 HOH HOH B . X 6 HOH 1 5 5 HOH HOH C . X 6 HOH 2 9 9 HOH HOH C . X 6 HOH 3 12 12 HOH HOH C . X 6 HOH 4 13 13 HOH HOH C . X 6 HOH 5 20 20 HOH HOH C . X 6 HOH 6 22 22 HOH HOH C . X 6 HOH 7 23 23 HOH HOH C . X 6 HOH 8 27 27 HOH HOH C . X 6 HOH 9 28 28 HOH HOH C . X 6 HOH 10 32 32 HOH HOH C . X 6 HOH 11 33 33 HOH HOH C . X 6 HOH 12 40 40 HOH HOH C . X 6 HOH 13 44 44 HOH HOH C . X 6 HOH 14 48 48 HOH HOH C . X 6 HOH 15 51 51 HOH HOH C . X 6 HOH 16 64 64 HOH HOH C . X 6 HOH 17 65 65 HOH HOH C . X 6 HOH 18 66 66 HOH HOH C . X 6 HOH 19 67 67 HOH HOH C . X 6 HOH 20 69 69 HOH HOH C . X 6 HOH 21 74 74 HOH HOH C . X 6 HOH 22 75 75 HOH HOH C . X 6 HOH 23 257 257 HOH HOH C . X 6 HOH 24 258 7 HOH HOH C . X 6 HOH 25 259 97 HOH HOH C . X 6 HOH 26 260 109 HOH HOH C . X 6 HOH 27 261 110 HOH HOH C . X 6 HOH 28 262 262 HOH HOH C . X 6 HOH 29 263 113 HOH HOH C . X 6 HOH 30 264 116 HOH HOH C . X 6 HOH 31 265 265 HOH HOH C . X 6 HOH 32 266 266 HOH HOH C . X 6 HOH 33 267 121 HOH HOH C . X 6 HOH 34 268 126 HOH HOH C . X 6 HOH 35 269 269 HOH HOH C . X 6 HOH 36 270 128 HOH HOH C . X 6 HOH 37 271 271 HOH HOH C . X 6 HOH 38 272 129 HOH HOH C . X 6 HOH 39 273 131 HOH HOH C . X 6 HOH 40 274 138 HOH HOH C . X 6 HOH 41 275 275 HOH HOH C . X 6 HOH 42 276 141 HOH HOH C . X 6 HOH 43 277 142 HOH HOH C . X 6 HOH 44 278 146 HOH HOH C . X 6 HOH 45 279 279 HOH HOH C . X 6 HOH 46 280 151 HOH HOH C . X 6 HOH 47 281 281 HOH HOH C . X 6 HOH 48 282 282 HOH HOH C . X 6 HOH 49 283 163 HOH HOH C . X 6 HOH 50 284 165 HOH HOH C . X 6 HOH 51 285 285 HOH HOH C . X 6 HOH 52 286 176 HOH HOH C . X 6 HOH 53 287 178 HOH HOH C . X 6 HOH 54 288 288 HOH HOH C . X 6 HOH 55 289 289 HOH HOH C . X 6 HOH 56 290 181 HOH HOH C . X 6 HOH 57 291 291 HOH HOH C . X 6 HOH 58 292 292 HOH HOH C . X 6 HOH 59 293 293 HOH HOH C . X 6 HOH 60 294 189 HOH HOH C . X 6 HOH 61 295 190 HOH HOH C . X 6 HOH 62 296 192 HOH HOH C . X 6 HOH 63 297 195 HOH HOH C . X 6 HOH 64 298 298 HOH HOH C . X 6 HOH 65 299 197 HOH HOH C . X 6 HOH 66 300 300 HOH HOH C . X 6 HOH 67 304 198 HOH HOH C . X 6 HOH 68 305 305 HOH HOH C . X 6 HOH 69 306 200 HOH HOH C . X 6 HOH 70 307 203 HOH HOH C . X 6 HOH 71 308 308 HOH HOH C . X 6 HOH 72 309 208 HOH HOH C . X 6 HOH 73 310 310 HOH HOH C . X 6 HOH 74 311 211 HOH HOH C . X 6 HOH 75 312 312 HOH HOH C . X 6 HOH 76 313 215 HOH HOH C . X 6 HOH 77 314 220 HOH HOH C . X 6 HOH 78 315 224 HOH HOH C . X 6 HOH 79 316 316 HOH HOH C . X 6 HOH 80 317 226 HOH HOH C . X 6 HOH 81 318 229 HOH HOH C . X 6 HOH 82 319 319 HOH HOH C . X 6 HOH 83 320 320 HOH HOH C . X 6 HOH 84 321 321 HOH HOH C . X 6 HOH 85 322 322 HOH HOH C . X 6 HOH 86 323 236 HOH HOH C . X 6 HOH 87 324 237 HOH HOH C . X 6 HOH 88 325 325 HOH HOH C . X 6 HOH 89 326 241 HOH HOH C . X 6 HOH 90 327 327 HOH HOH C . X 6 HOH 91 328 243 HOH HOH C . X 6 HOH 92 329 245 HOH HOH C . X 6 HOH 93 330 330 HOH HOH C . X 6 HOH 94 331 331 HOH HOH C . X 6 HOH 95 332 246 HOH HOH C . X 6 HOH 96 333 247 HOH HOH C . X 6 HOH 97 334 334 HOH HOH C . X 6 HOH 98 335 248 HOH HOH C . X 6 HOH 99 336 249 HOH HOH C . X 6 HOH 100 337 256 HOH HOH C . X 6 HOH 101 338 302 HOH HOH C . X 6 HOH 102 339 233 HOH HOH C . X 6 HOH 103 347 347 HOH HOH C . X 6 HOH 104 353 353 HOH HOH C . X 6 HOH 105 358 358 HOH HOH C . X 6 HOH 106 363 363 HOH HOH C . X 6 HOH 107 368 368 HOH HOH C . X 6 HOH 108 369 369 HOH HOH C . X 6 HOH 109 370 370 HOH HOH C . X 6 HOH 110 374 374 HOH HOH C . X 6 HOH 111 379 379 HOH HOH C . X 6 HOH 112 381 381 HOH HOH C . X 6 HOH 113 382 382 HOH HOH C . X 6 HOH 114 383 383 HOH HOH C . X 6 HOH 115 385 385 HOH HOH C . X 6 HOH 116 387 387 HOH HOH C . X 6 HOH 117 389 389 HOH HOH C . X 6 HOH 118 393 393 HOH HOH C . X 6 HOH 119 397 397 HOH HOH C . X 6 HOH 120 399 399 HOH HOH C . X 6 HOH 121 400 400 HOH HOH C . X 6 HOH 122 407 407 HOH HOH C . X 6 HOH 123 409 409 HOH HOH C . X 6 HOH 124 410 410 HOH HOH C . X 6 HOH 125 411 411 HOH HOH C . X 6 HOH 126 413 413 HOH HOH C . X 6 HOH 127 419 419 HOH HOH C . X 6 HOH 128 422 422 HOH HOH C . X 6 HOH 129 423 423 HOH HOH C . X 6 HOH 130 427 427 HOH HOH C . X 6 HOH 131 430 430 HOH HOH C . X 6 HOH 132 433 433 HOH HOH C . X 6 HOH 133 435 435 HOH HOH C . X 6 HOH 134 438 438 HOH HOH C . X 6 HOH 135 439 439 HOH HOH C . X 6 HOH 136 444 444 HOH HOH C . X 6 HOH 137 446 446 HOH HOH C . X 6 HOH 138 448 448 HOH HOH C . X 6 HOH 139 450 450 HOH HOH C . X 6 HOH 140 453 453 HOH HOH C . X 6 HOH 141 458 458 HOH HOH C . X 6 HOH 142 459 459 HOH HOH C . X 6 HOH 143 460 460 HOH HOH C . X 6 HOH 144 466 466 HOH HOH C . X 6 HOH 145 467 467 HOH HOH C . X 6 HOH 146 468 468 HOH HOH C . X 6 HOH 147 471 471 HOH HOH C . X 6 HOH 148 473 473 HOH HOH C . X 6 HOH 149 474 474 HOH HOH C . X 6 HOH 150 478 478 HOH HOH C . X 6 HOH 151 482 482 HOH HOH C . X 6 HOH 152 483 483 HOH HOH C . X 6 HOH 153 484 484 HOH HOH C . X 6 HOH 154 486 486 HOH HOH C . X 6 HOH 155 488 488 HOH HOH C . X 6 HOH 156 491 491 HOH HOH C . X 6 HOH 157 497 497 HOH HOH C . X 6 HOH 158 502 502 HOH HOH C . X 6 HOH 159 503 503 HOH HOH C . X 6 HOH 160 504 504 HOH HOH C . X 6 HOH 161 512 512 HOH HOH C . X 6 HOH 162 526 526 HOH HOH C . X 6 HOH 163 527 527 HOH HOH C . X 6 HOH 164 528 528 HOH HOH C . X 6 HOH 165 529 529 HOH HOH C . X 6 HOH 166 530 530 HOH HOH C . X 6 HOH 167 555 555 HOH HOH C . X 6 HOH 168 564 564 HOH HOH C . X 6 HOH 169 586 586 HOH HOH C . X 6 HOH 170 607 607 HOH HOH C . X 6 HOH 171 608 608 HOH HOH C . X 6 HOH 172 609 609 HOH HOH C . X 6 HOH 173 610 610 HOH HOH C . X 6 HOH 174 611 611 HOH HOH C . X 6 HOH 175 612 612 HOH HOH C . X 6 HOH 176 613 613 HOH HOH C . X 6 HOH 177 614 614 HOH HOH C . X 6 HOH 178 615 615 HOH HOH C . X 6 HOH 179 616 616 HOH HOH C . X 6 HOH 180 617 617 HOH HOH C . X 6 HOH 181 618 618 HOH HOH C . X 6 HOH 182 619 619 HOH HOH C . X 6 HOH 183 620 620 HOH HOH C . X 6 HOH 184 634 634 HOH HOH C . X 6 HOH 185 635 635 HOH HOH C . X 6 HOH 186 636 636 HOH HOH C . X 6 HOH 187 637 637 HOH HOH C . X 6 HOH 188 638 638 HOH HOH C . X 6 HOH 189 649 649 HOH HOH C . X 6 HOH 190 650 650 HOH HOH C . X 6 HOH 191 651 651 HOH HOH C . X 6 HOH 192 652 652 HOH HOH C . X 6 HOH 193 653 653 HOH HOH C . X 6 HOH 194 654 654 HOH HOH C . X 6 HOH 195 655 655 HOH HOH C . X 6 HOH 196 656 656 HOH HOH C . X 6 HOH 197 657 657 HOH HOH C . X 6 HOH 198 658 658 HOH HOH C . X 6 HOH 199 659 659 HOH HOH C . X 6 HOH 200 662 662 HOH HOH C . X 6 HOH 201 663 663 HOH HOH C . X 6 HOH 202 664 664 HOH HOH C . X 6 HOH 203 665 665 HOH HOH C . X 6 HOH 204 666 666 HOH HOH C . X 6 HOH 205 667 667 HOH HOH C . X 6 HOH 206 668 668 HOH HOH C . X 6 HOH 207 689 689 HOH HOH C . X 6 HOH 208 690 690 HOH HOH C . X 6 HOH 209 696 696 HOH HOH C . X 6 HOH 210 699 699 HOH HOH C . X 6 HOH 211 713 713 HOH HOH C . X 6 HOH 212 714 714 HOH HOH C . X 6 HOH 213 715 715 HOH HOH C . X 6 HOH 214 716 716 HOH HOH C . X 6 HOH 215 717 717 HOH HOH C . X 6 HOH 216 718 718 HOH HOH C . X 6 HOH 217 719 719 HOH HOH C . X 6 HOH 218 720 720 HOH HOH C . X 6 HOH 219 721 721 HOH HOH C . X 6 HOH 220 722 722 HOH HOH C . X 6 HOH 221 723 723 HOH HOH C . X 6 HOH 222 724 724 HOH HOH C . X 6 HOH 223 726 726 HOH HOH C . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 C ASN 104 C ASN 182 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 104 A ASN 182 ? ASN 'GLYCOSYLATION SITE' 3 B ASN 104 B ASN 182 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? monomeric 1 2 author_defined_assembly ? monomeric 1 3 author_defined_assembly ? monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,D,E,F,G,H,I,V 2 1 B,J,K,L,M,N,O,W 3 1 C,P,Q,R,S,T,U,X # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OD1 B A ASN 128 ? A ASN 206 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 O ? V HOH . ? A HOH 300 ? 1_555 79.3 ? 2 OD1 B A ASN 128 ? A ASN 206 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 OD2 ? A ASP 57 ? A ASP 135 ? 1_555 102.8 ? 3 O ? V HOH . ? A HOH 300 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 OD2 ? A ASP 57 ? A ASP 135 ? 1_555 146.7 ? 4 OD1 B A ASN 128 ? A ASN 206 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 O ? A ILE 74 ? A ILE 152 ? 1_555 148.9 ? 5 O ? V HOH . ? A HOH 300 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 O ? A ILE 74 ? A ILE 152 ? 1_555 77.8 ? 6 OD2 ? A ASP 57 ? A ASP 135 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 O ? A ILE 74 ? A ILE 152 ? 1_555 85.6 ? 7 OD1 B A ASN 128 ? A ASN 206 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 O ? A ILE 126 ? A ILE 204 ? 1_555 81.8 ? 8 O ? V HOH . ? A HOH 300 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 O ? A ILE 126 ? A ILE 204 ? 1_555 74.5 ? 9 OD2 ? A ASP 57 ? A ASP 135 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 O ? A ILE 126 ? A ILE 204 ? 1_555 72.9 ? 10 O ? A ILE 74 ? A ILE 152 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 O ? A ILE 126 ? A ILE 204 ? 1_555 72.0 ? 11 OD1 B A ASN 128 ? A ASN 206 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 O ? V HOH . ? A HOH 576 ? 1_555 109.8 ? 12 O ? V HOH . ? A HOH 300 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 O ? V HOH . ? A HOH 576 ? 1_555 105.1 ? 13 OD2 ? A ASP 57 ? A ASP 135 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 O ? V HOH . ? A HOH 576 ? 1_555 105.3 ? 14 O ? A ILE 74 ? A ILE 152 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 O ? V HOH . ? A HOH 576 ? 1_555 96.3 ? 15 O ? A ILE 126 ? A ILE 204 ? 1_555 CA ? D CA . ? A CA 1 ? 1_555 O ? V HOH . ? A HOH 576 ? 1_555 168.2 ? # 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 2010-07-28 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2017-11-08 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' Advisory 2 2 'Structure model' 'Version format compliance' 3 3 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 3 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 3 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_software.name' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 23.1596 3.0376 10.5009 -0.2276 -0.2229 -0.2282 -0.0023 0.0337 -0.0251 1.4844 2.4599 1.4913 0.0162 -0.1204 -0.7775 -0.0029 -0.0516 0.0194 0.0539 0.0083 0.1455 -0.0093 0.0060 -0.0054 'X-RAY DIFFRACTION' 2 ? refined 33.5149 13.8856 -17.6388 -0.1958 -0.2130 -0.2211 -0.0178 0.0014 0.0035 2.0571 1.5864 2.3145 -0.0954 0.6560 0.2050 -0.0194 0.1079 -0.0091 -0.0590 -0.0149 -0.0208 -0.0961 -0.0112 0.0343 'X-RAY DIFFRACTION' 3 ? refined 49.7584 -9.0855 -2.1653 -0.2292 -0.2051 -0.1771 0.0203 -0.0177 -0.0062 2.1639 3.2346 1.6420 0.1096 -0.4794 0.3512 -0.0070 -0.0342 -0.0557 -0.0336 0.0217 -0.1404 0.0334 0.0921 -0.0147 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 A 79 ? ? A 256 ? ? ? ? 'X-RAY DIFFRACTION' 2 2 B 79 ? ? B 256 ? ? ? ? 'X-RAY DIFFRACTION' 3 3 C 79 ? ? C 256 ? ? ? ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal MAR345 'data collection' . ? 1 PHASER phasing . ? 2 REFMAC refinement 5.2.0019 ? 3 HKL-2000 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # 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 OD2 C ASP 135 ? ? O C HOH 369 ? ? 2.03 2 1 O A HOH 643 ? ? O A HOH 671 ? ? 2.05 # 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 THR A 154 ? ? -108.24 -87.60 2 1 ASN A 167 ? ? -91.89 43.86 3 1 ASP A 188 ? ? 48.41 -123.46 4 1 THR A 203 ? ? -131.14 -35.83 5 1 THR A 203 ? ? -133.11 -31.84 6 1 ASN B 167 ? ? -93.91 46.51 7 1 ASP B 188 ? ? 47.33 -126.92 8 1 ALA C 130 ? ? -48.98 150.98 9 1 THR C 154 ? ? -102.57 -65.49 10 1 ASN C 167 ? ? -87.71 43.28 11 1 ASP C 188 ? ? 53.64 -126.15 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'CALCIUM ION' CA 3 N-ACETYL-D-GLUCOSAMINE NAG 4 BETA-D-MANNOSE BMA 5 'SULFATE ION' SO4 6 water HOH #