data_3VHI # _entry.id 3VHI # _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 3VHI RCSB RCSB095050 WWPDB D_1000095050 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3VGW . unspecified PDB 3VHH . unspecified PDB 3VHM . unspecified # _pdbx_database_status.entry_id 3VHI _pdbx_database_status.status_code REL _pdbx_database_status.deposit_site PDBJ _pdbx_database_status.process_site PDBJ _pdbx_database_status.recvd_initial_deposition_date 2011-08-25 _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Terai, T.' 1 'Maki, E.' 2 'Sugiyama, S.' 3 'Takahashi, Y.' 4 'Matsumura, H.' 5 'Mori, Y.' 6 'Nagano, T.' 7 # _citation.id primary _citation.title 'Rational development of caged-biotin protein-labeling agents and some applications in live cells' _citation.journal_abbrev Chem.Biol. _citation.journal_volume 18 _citation.page_first 1261 _citation.page_last 1272 _citation.year 2011 _citation.journal_id_ASTM CBOLE2 _citation.country UK _citation.journal_id_ISSN 1074-5521 _citation.journal_id_CSD 2050 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 22035795 _citation.pdbx_database_id_DOI 10.1016/j.chembiol.2011.09.007 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Terai, T.' 1 primary 'Maki, E.' 2 primary 'Sugiyama, S.' 3 primary 'Takahashi, Y.' 4 primary 'Matsumura, H.' 5 primary 'Mori, Y.' 6 primary 'Nagano, T.' 7 # _cell.length_a 130.781 _cell.length_b 73.455 _cell.length_c 81.251 _cell.angle_alpha 90.000 _cell.angle_beta 120.050 _cell.angle_gamma 90.000 _cell.entry_id 3VHI _cell.pdbx_unique_axis ? _cell.Z_PDB 16 _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.space_group_name_H-M 'C 1 2 1' _symmetry.entry_id 3VHI _symmetry.Int_Tables_number 5 _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat Avidin 13645.354 4 ? ? 'UNP residues 26-147' ? 2 non-polymer syn '5-{(3aS,4S,6aR)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid' 378.443 4 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 4 non-polymer syn 'SULFATE ION' 96.063 6 ? ? ? ? 5 water nat water 18.015 177 ? ? ? ? # _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 ;RKCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYITAVTATSNEIKESPLHGTQNTINKRTQPTFGFTVNWKFSESTTVFTG QCFIDRNGKEVLKTMWLLRSSVNDIGDDWKATRVGINIFTRL ; _entity_poly.pdbx_seq_one_letter_code_can ;RKCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYITAVTATSNEIKESPLHGTQNTINKRTQPTFGFTVNWKFSESTTVFTG QCFIDRNGKEVLKTMWLLRSSVNDIGDDWKATRVGINIFTRL ; _entity_poly.pdbx_strand_id A,B,C,D _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 ARG n 1 2 LYS n 1 3 CYS n 1 4 SER n 1 5 LEU n 1 6 THR n 1 7 GLY n 1 8 LYS n 1 9 TRP n 1 10 THR n 1 11 ASN n 1 12 ASP n 1 13 LEU n 1 14 GLY n 1 15 SER n 1 16 ASN n 1 17 MET n 1 18 THR n 1 19 ILE n 1 20 GLY n 1 21 ALA n 1 22 VAL n 1 23 ASN n 1 24 SER n 1 25 ARG n 1 26 GLY n 1 27 GLU n 1 28 PHE n 1 29 THR n 1 30 GLY n 1 31 THR n 1 32 TYR n 1 33 ILE n 1 34 THR n 1 35 ALA n 1 36 VAL n 1 37 THR n 1 38 ALA n 1 39 THR n 1 40 SER n 1 41 ASN n 1 42 GLU n 1 43 ILE n 1 44 LYS n 1 45 GLU n 1 46 SER n 1 47 PRO n 1 48 LEU n 1 49 HIS n 1 50 GLY n 1 51 THR n 1 52 GLN n 1 53 ASN n 1 54 THR n 1 55 ILE n 1 56 ASN n 1 57 LYS n 1 58 ARG n 1 59 THR n 1 60 GLN n 1 61 PRO n 1 62 THR n 1 63 PHE n 1 64 GLY n 1 65 PHE n 1 66 THR n 1 67 VAL n 1 68 ASN n 1 69 TRP n 1 70 LYS n 1 71 PHE n 1 72 SER n 1 73 GLU n 1 74 SER n 1 75 THR n 1 76 THR n 1 77 VAL n 1 78 PHE n 1 79 THR n 1 80 GLY n 1 81 GLN n 1 82 CYS n 1 83 PHE n 1 84 ILE n 1 85 ASP n 1 86 ARG n 1 87 ASN n 1 88 GLY n 1 89 LYS n 1 90 GLU n 1 91 VAL n 1 92 LEU n 1 93 LYS n 1 94 THR n 1 95 MET n 1 96 TRP n 1 97 LEU n 1 98 LEU n 1 99 ARG n 1 100 SER n 1 101 SER n 1 102 VAL n 1 103 ASN n 1 104 ASP n 1 105 ILE n 1 106 GLY n 1 107 ASP n 1 108 ASP n 1 109 TRP n 1 110 LYS n 1 111 ALA n 1 112 THR n 1 113 ARG n 1 114 VAL n 1 115 GLY n 1 116 ILE n 1 117 ASN n 1 118 ILE n 1 119 PHE n 1 120 THR n 1 121 ARG n 1 122 LEU n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name chicken _entity_src_nat.pdbx_organism_scientific 'Gallus gallus' _entity_src_nat.pdbx_ncbi_taxonomy_id 9031 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code AVID_CHICK _struct_ref.pdbx_db_accession P02701 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;RKCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYITAVTATSNEIKESPLHGTQNTINKRTQPTFGFTVNWKFSESTTVFTG QCFIDRNGKEVLKTMWLLRSSVNDIGDDWKATRVGINIFTRL ; _struct_ref.pdbx_align_begin 26 _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 3VHI A 1 ? 122 ? P02701 26 ? 147 ? 2 123 2 1 3VHI B 1 ? 122 ? P02701 26 ? 147 ? 2 123 3 1 3VHI C 1 ? 122 ? P02701 26 ? 147 ? 2 123 4 1 3VHI D 1 ? 122 ? P02701 26 ? 147 ? 2 123 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 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 VHI non-polymer . '5-{(3aS,4S,6aR)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid' ? 'C18 H22 N2 O5 S' 378.443 # _exptl.crystals_number 1 _exptl.entry_id 3VHI _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.pdbx_mosaicity 0.537 _exptl_crystal.pdbx_mosaicity_esd ? _exptl_crystal.density_Matthews 3.09 _exptl_crystal.density_diffrn ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_percent_sol 60.25 _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.pH 5 _exptl_crystal_grow.temp 293 _exptl_crystal_grow.pdbx_details '2.5-2.7M ammonium sulfate, 0.1M sodium citrate (pH 4.0-5.0), vapor diffusion, sitting drop, temperature 293K' _exptl_crystal_grow.pdbx_pH_range . _exptl_crystal_grow.temp_details ? # _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 'RAYONIX MX225HE' _diffrn_detector.pdbx_collection_date ? _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SPRING-8 BEAMLINE BL44XU' _diffrn_source.pdbx_wavelength_list 0.9 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_site SPring-8 _diffrn_source.pdbx_synchrotron_beamline BL44XU # _reflns.entry_id 3VHI _reflns.d_resolution_high 1.760 _reflns.d_resolution_low 50.000 _reflns.number_obs 65324 _reflns.pdbx_Rmerge_I_obs 0.048 _reflns.pdbx_netI_over_sigmaI 20.100 _reflns.pdbx_chi_squared 2.144 _reflns.pdbx_redundancy 3.800 _reflns.percent_possible_obs 99.700 _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.number_all ? _reflns.pdbx_Rsym_value ? _reflns.B_iso_Wilson_estimate ? _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_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.number_measured_obs _reflns_shell.number_measured_all _reflns_shell.number_unique_obs _reflns_shell.pdbx_rejects _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_redundancy _reflns_shell.percent_possible_obs _reflns_shell.pdbx_netI_over_sigmaI_obs _reflns_shell.number_possible _reflns_shell.number_unique_all _reflns_shell.Rmerge_F_all _reflns_shell.Rmerge_F_obs _reflns_shell.Rmerge_I_all _reflns_shell.meanI_over_sigI_all _reflns_shell.percent_possible_all _reflns_shell.pdbx_Rrim_I_all _reflns_shell.pdbx_Rpim_I_all _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id 1.760 1.820 ? ? ? ? 0.230 ? ? 1.671 3.800 ? ? ? 6506 ? ? ? ? 100.000 ? ? 1 1 1.820 1.900 ? ? ? ? 0.182 ? ? 1.738 3.800 ? ? ? 6486 ? ? ? ? 100.000 ? ? 2 1 1.900 1.980 ? ? ? ? 0.134 ? ? 1.807 3.800 ? ? ? 6557 ? ? ? ? 100.000 ? ? 3 1 1.980 2.090 ? ? ? ? 0.096 ? ? 1.959 3.800 ? ? ? 6530 ? ? ? ? 100.000 ? ? 4 1 2.090 2.220 ? ? ? ? 0.077 ? ? 2.047 3.800 ? ? ? 6491 ? ? ? ? 99.900 ? ? 5 1 2.220 2.390 ? ? ? ? 0.064 ? ? 2.032 3.800 ? ? ? 6552 ? ? ? ? 99.900 ? ? 6 1 2.390 2.630 ? ? ? ? 0.053 ? ? 2.105 3.800 ? ? ? 6556 ? ? ? ? 100.000 ? ? 7 1 2.630 3.010 ? ? ? ? 0.047 ? ? 2.408 3.800 ? ? ? 6570 ? ? ? ? 100.000 ? ? 8 1 3.010 3.790 ? ? ? ? 0.044 ? ? 3.445 3.600 ? ? ? 6578 ? ? ? ? 99.800 ? ? 9 1 3.790 50.000 ? ? ? ? 0.032 ? ? 2.305 3.600 ? ? ? 6498 ? ? ? ? 97.100 ? ? 10 1 # _refine.entry_id 3VHI _refine.ls_d_res_high 1.7600 _refine.ls_d_res_low 34.9100 _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 99.5000 _refine.ls_number_reflns_obs 62003 _refine.ls_number_reflns_all ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_R_Free_selection_details RANDOM _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.ls_R_factor_obs 0.18652 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.18444 _refine.ls_R_factor_R_free 0.22612 _refine.ls_wR_factor_R_free 0.2358 _refine.ls_percent_reflns_R_free 5.1000 _refine.ls_number_reflns_R_free 3308 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 26.808 _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] 0.0000 _refine.aniso_B[2][2] 0.0000 _refine.aniso_B[3][3] 0.0000 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] 0.0000 _refine.correlation_coeff_Fo_to_Fc 0.9590 _refine.correlation_coeff_Fo_to_Fc_free 0.9380 _refine.pdbx_overall_ESU_R 0.101 _refine.pdbx_overall_ESU_R_Free 0.106 _refine.overall_SU_ML 0.068 _refine.overall_SU_B 2.120 _refine.solvent_model_details MASK _refine.pdbx_solvent_vdw_probe_radii 1.4000 _refine.pdbx_solvent_ion_probe_radii 0.8000 _refine.pdbx_solvent_shrinkage_radii 0.8000 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model 1AVD _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set 0.8567 _refine.B_iso_max 73.950 _refine.B_iso_min 11.230 _refine.pdbx_overall_phase_error ? _refine.occupancy_max 1.000 _refine.occupancy_min 1.000 _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_ls_sigma_I ? _refine.ls_redundancy_reflns_obs ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3811 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 190 _refine_hist.number_atoms_solvent 177 _refine_hist.number_atoms_total 4178 _refine_hist.d_res_high 1.7600 _refine_hist.d_res_low 34.9100 # 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 0.034 0.022 ? 4079 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 2.753 1.971 ? 5532 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 7.293 5.000 ? 482 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 29.486 23.846 ? 169 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 15.418 15.000 ? 673 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 22.382 15.000 ? 26 'X-RAY DIFFRACTION' ? r_chiral_restr 0.225 0.200 ? 634 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.015 0.020 ? 2994 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 1.824 1.500 ? 2402 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 2.989 2.000 ? 3907 'X-RAY DIFFRACTION' ? r_scbond_it 4.210 3.000 ? 1677 'X-RAY DIFFRACTION' ? r_scangle_it 6.326 4.500 ? 1625 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.764 _refine_ls_shell.d_res_low 1.809 _refine_ls_shell.number_reflns_R_work 4458 _refine_ls_shell.R_factor_R_work 0.248 _refine_ls_shell.percent_reflns_obs 97.83 _refine_ls_shell.R_factor_R_free 0.289 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 228 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_obs ? # _struct.entry_id 3VHI _struct.title 'Crystal structure of monoZ-biotin-avidin complex' _struct.pdbx_descriptor Avidin _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3VHI _struct_keywords.text 'beta barrel, BIOTIN-BINDING PROTEIN' _struct_keywords.pdbx_keywords 'BIOTIN-BINDING PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 1 ? D N N 1 ? E N N 2 ? F N N 3 ? G N N 4 ? H N N 4 ? I N N 2 ? J N N 3 ? K N N 4 ? L N N 4 ? M N N 2 ? N N N 3 ? O N N 4 ? P N N 2 ? Q N N 3 ? R N N 4 ? S N N 5 ? T N N 5 ? U N N 5 ? V N N 5 ? # _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 THR A 54 ? ARG A 58 ? THR A 55 ARG A 59 5 ? 5 HELX_P HELX_P2 2 ASP A 104 ? LYS A 110 ? ASP A 105 LYS A 111 5 ? 7 HELX_P HELX_P3 3 THR B 54 ? ARG B 58 ? THR B 55 ARG B 59 5 ? 5 HELX_P HELX_P4 4 ASP B 104 ? LYS B 110 ? ASP B 105 LYS B 111 5 ? 7 HELX_P HELX_P5 5 THR C 54 ? ARG C 58 ? THR C 55 ARG C 59 5 ? 5 HELX_P HELX_P6 6 ASP C 104 ? LYS C 110 ? ASP C 105 LYS C 111 5 ? 7 HELX_P HELX_P7 7 THR D 54 ? ARG D 58 ? THR D 55 ARG D 59 5 ? 5 HELX_P HELX_P8 8 ASP D 104 ? LYS D 110 ? ASP D 105 LYS D 111 5 ? 7 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 3 SG ? ? ? 1_555 A CYS 82 SG ? ? A CYS 4 A CYS 83 1_555 ? ? ? ? ? ? ? 2.035 ? disulf2 disulf ? ? B CYS 3 SG ? ? ? 1_555 B CYS 82 SG ? ? B CYS 4 B CYS 83 1_555 ? ? ? ? ? ? ? 2.020 ? disulf3 disulf ? ? C CYS 3 SG ? ? ? 1_555 C CYS 82 SG ? ? C CYS 4 C CYS 83 1_555 ? ? ? ? ? ? ? 2.001 ? disulf4 disulf ? ? D CYS 3 SG ? ? ? 1_555 D CYS 82 SG ? ? D CYS 4 D CYS 83 1_555 ? ? ? ? ? ? ? 2.064 ? covale1 covale ? ? A ASN 16 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 17 A NAG 1125 1_555 ? ? ? ? ? ? ? 1.704 ? covale2 covale ? ? B ASN 16 ND2 ? ? ? 1_555 J NAG . C1 ? ? B ASN 17 B NAG 1125 1_555 ? ? ? ? ? ? ? 1.545 ? covale3 covale ? ? C ASN 16 ND2 ? ? ? 1_555 N NAG . C1 ? ? C ASN 17 C NAG 1125 1_555 ? ? ? ? ? ? ? 1.853 ? covale4 covale ? ? D ASN 16 ND2 ? ? ? 1_555 Q NAG . C1 ? ? D ASN 17 D NAG 1125 1_555 ? ? ? ? ? ? ? 1.834 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 9 ? B ? 9 ? C ? 9 ? D ? 9 ? # 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 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 B 7 8 ? anti-parallel B 8 9 ? 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 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 D 7 8 ? anti-parallel D 8 9 ? 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 GLY A 7 ? THR A 10 ? GLY A 8 THR A 11 A 2 ASN A 16 ? ILE A 19 ? ASN A 17 ILE A 20 A 3 GLU A 27 ? ILE A 33 ? GLU A 28 ILE A 34 A 4 SER A 46 ? GLN A 52 ? SER A 47 GLN A 53 A 5 THR A 62 ? ASN A 68 ? THR A 63 ASN A 69 A 6 THR A 75 ? ILE A 84 ? THR A 76 ILE A 85 A 7 GLU A 90 ? ARG A 99 ? GLU A 91 ARG A 100 A 8 THR A 112 ? ARG A 121 ? THR A 113 ARG A 122 A 9 GLY A 7 ? THR A 10 ? GLY A 8 THR A 11 B 1 GLY B 7 ? THR B 10 ? GLY B 8 THR B 11 B 2 ASN B 16 ? ILE B 19 ? ASN B 17 ILE B 20 B 3 GLU B 27 ? ILE B 33 ? GLU B 28 ILE B 34 B 4 SER B 46 ? GLN B 52 ? SER B 47 GLN B 53 B 5 THR B 62 ? ASN B 68 ? THR B 63 ASN B 69 B 6 THR B 75 ? ILE B 84 ? THR B 76 ILE B 85 B 7 GLU B 90 ? ARG B 99 ? GLU B 91 ARG B 100 B 8 THR B 112 ? LEU B 122 ? THR B 113 LEU B 123 B 9 GLY B 7 ? THR B 10 ? GLY B 8 THR B 11 C 1 GLY C 7 ? THR C 10 ? GLY C 8 THR C 11 C 2 ASN C 16 ? ILE C 19 ? ASN C 17 ILE C 20 C 3 GLU C 27 ? ILE C 33 ? GLU C 28 ILE C 34 C 4 SER C 46 ? GLN C 52 ? SER C 47 GLN C 53 C 5 THR C 62 ? ASN C 68 ? THR C 63 ASN C 69 C 6 THR C 75 ? ILE C 84 ? THR C 76 ILE C 85 C 7 GLU C 90 ? ARG C 99 ? GLU C 91 ARG C 100 C 8 THR C 112 ? ARG C 121 ? THR C 113 ARG C 122 C 9 GLY C 7 ? THR C 10 ? GLY C 8 THR C 11 D 1 GLY D 7 ? THR D 10 ? GLY D 8 THR D 11 D 2 ASN D 16 ? ILE D 19 ? ASN D 17 ILE D 20 D 3 GLU D 27 ? ILE D 33 ? GLU D 28 ILE D 34 D 4 SER D 46 ? GLN D 52 ? SER D 47 GLN D 53 D 5 THR D 62 ? ASN D 68 ? THR D 63 ASN D 69 D 6 THR D 75 ? ILE D 84 ? THR D 76 ILE D 85 D 7 GLU D 90 ? ARG D 99 ? GLU D 91 ARG D 100 D 8 THR D 112 ? ARG D 121 ? THR D 113 ARG D 122 D 9 GLY D 7 ? THR D 10 ? GLY D 8 THR D 11 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N TRP A 9 ? N TRP A 10 O MET A 17 ? O MET A 18 A 2 3 N ASN A 16 ? N ASN A 17 O ILE A 33 ? O ILE A 34 A 3 4 N TYR A 32 ? N TYR A 33 O SER A 46 ? O SER A 47 A 4 5 N HIS A 49 ? N HIS A 50 O THR A 66 ? O THR A 67 A 5 6 N VAL A 67 ? N VAL A 68 O THR A 76 ? O THR A 77 A 6 7 N THR A 75 ? N THR A 76 O ARG A 99 ? O ARG A 100 A 7 8 N TRP A 96 ? N TRP A 97 O GLY A 115 ? O GLY A 116 A 8 9 O THR A 120 ? O THR A 121 N THR A 10 ? N THR A 11 B 1 2 N TRP B 9 ? N TRP B 10 O MET B 17 ? O MET B 18 B 2 3 N ASN B 16 ? N ASN B 17 O ILE B 33 ? O ILE B 34 B 3 4 N TYR B 32 ? N TYR B 33 O SER B 46 ? O SER B 47 B 4 5 N PRO B 47 ? N PRO B 48 O ASN B 68 ? O ASN B 69 B 5 6 N VAL B 67 ? N VAL B 68 O THR B 76 ? O THR B 77 B 6 7 N THR B 75 ? N THR B 76 O ARG B 99 ? O ARG B 100 B 7 8 N LEU B 92 ? N LEU B 93 O PHE B 119 ? O PHE B 120 B 8 9 O LEU B 122 ? O LEU B 123 N LYS B 8 ? N LYS B 9 C 1 2 N TRP C 9 ? N TRP C 10 O MET C 17 ? O MET C 18 C 2 3 N THR C 18 ? N THR C 19 O THR C 31 ? O THR C 32 C 3 4 N TYR C 32 ? N TYR C 33 O SER C 46 ? O SER C 47 C 4 5 N PRO C 47 ? N PRO C 48 O ASN C 68 ? O ASN C 69 C 5 6 N VAL C 67 ? N VAL C 68 O THR C 76 ? O THR C 77 C 6 7 N THR C 75 ? N THR C 76 O ARG C 99 ? O ARG C 100 C 7 8 N LEU C 92 ? N LEU C 93 O PHE C 119 ? O PHE C 120 C 8 9 O THR C 120 ? O THR C 121 N THR C 10 ? N THR C 11 D 1 2 N TRP D 9 ? N TRP D 10 O MET D 17 ? O MET D 18 D 2 3 N ASN D 16 ? N ASN D 17 O ILE D 33 ? O ILE D 34 D 3 4 N TYR D 32 ? N TYR D 33 O SER D 46 ? O SER D 47 D 4 5 N HIS D 49 ? N HIS D 50 O THR D 66 ? O THR D 67 D 5 6 N VAL D 67 ? N VAL D 68 O THR D 76 ? O THR D 77 D 6 7 N THR D 75 ? N THR D 76 O ARG D 99 ? O ARG D 100 D 7 8 N LEU D 92 ? N LEU D 93 O PHE D 119 ? O PHE D 120 D 8 9 O THR D 120 ? O THR D 121 N THR D 10 ? N THR D 11 # 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 ? ? ? ? 18 'BINDING SITE FOR RESIDUE VHI A 1124' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 1125' AC3 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE SO4 A 1126' AC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE SO4 A 1127' AC5 Software ? ? ? ? 17 'BINDING SITE FOR RESIDUE VHI B 1124' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG B 1125' AC7 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE SO4 B 1126' AC8 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE SO4 B 1127' AC9 Software ? ? ? ? 19 'BINDING SITE FOR RESIDUE VHI C 1124' BC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG C 1125' BC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE SO4 C 1127' BC3 Software ? ? ? ? 18 'BINDING SITE FOR RESIDUE VHI D 1124' BC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG D 1125' BC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE SO4 D 1126' # 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 18 ASN A 11 ? ASN A 12 . ? 1_555 ? 2 AC1 18 ASP A 12 ? ASP A 13 . ? 1_555 ? 3 AC1 18 LEU A 13 ? LEU A 14 . ? 1_555 ? 4 AC1 18 SER A 15 ? SER A 16 . ? 1_555 ? 5 AC1 18 TYR A 32 ? TYR A 33 . ? 1_555 ? 6 AC1 18 THR A 34 ? THR A 35 . ? 1_555 ? 7 AC1 18 VAL A 36 ? VAL A 37 . ? 1_555 ? 8 AC1 18 THR A 37 ? THR A 38 . ? 1_555 ? 9 AC1 18 ALA A 38 ? ALA A 39 . ? 1_555 ? 10 AC1 18 TRP A 69 ? TRP A 70 . ? 1_555 ? 11 AC1 18 SER A 72 ? SER A 73 . ? 1_555 ? 12 AC1 18 SER A 74 ? SER A 75 . ? 1_555 ? 13 AC1 18 TRP A 96 ? TRP A 97 . ? 1_555 ? 14 AC1 18 ILE A 116 ? ILE A 117 . ? 1_555 ? 15 AC1 18 ASN A 117 ? ASN A 118 . ? 1_555 ? 16 AC1 18 HOH S . ? HOH A 126 . ? 1_555 ? 17 AC1 18 HOH S . ? HOH A 140 . ? 1_555 ? 18 AC1 18 TRP C 109 ? TRP C 110 . ? 1_555 ? 19 AC2 5 LYS A 8 ? LYS A 9 . ? 1_555 ? 20 AC2 5 GLY A 14 ? GLY A 15 . ? 1_555 ? 21 AC2 5 ASN A 16 ? ASN A 17 . ? 1_555 ? 22 AC2 5 GLU A 42 ? GLU A 43 . ? 2_454 ? 23 AC2 5 LEU A 122 ? LEU A 123 . ? 1_555 ? 24 AC3 8 ARG A 1 ? ARG A 2 . ? 1_555 ? 25 AC3 8 LYS A 89 ? LYS A 90 . ? 1_555 ? 26 AC3 8 GLU A 90 ? GLU A 91 . ? 1_555 ? 27 AC3 8 ARG A 121 ? ARG A 122 . ? 1_555 ? 28 AC3 8 HOH S . ? HOH A 135 . ? 1_555 ? 29 AC3 8 LYS D 8 ? LYS D 9 . ? 4_454 ? 30 AC3 8 THR D 18 ? THR D 19 . ? 4_454 ? 31 AC3 8 HOH V . ? HOH D 161 . ? 4_454 ? 32 AC4 2 ARG A 58 ? ARG A 59 . ? 1_555 ? 33 AC4 2 THR A 59 ? THR A 60 . ? 1_555 ? 34 AC5 17 ASN B 11 ? ASN B 12 . ? 1_555 ? 35 AC5 17 LEU B 13 ? LEU B 14 . ? 1_555 ? 36 AC5 17 SER B 15 ? SER B 16 . ? 1_555 ? 37 AC5 17 TYR B 32 ? TYR B 33 . ? 1_555 ? 38 AC5 17 THR B 34 ? THR B 35 . ? 1_555 ? 39 AC5 17 VAL B 36 ? VAL B 37 . ? 1_555 ? 40 AC5 17 THR B 37 ? THR B 38 . ? 1_555 ? 41 AC5 17 ALA B 38 ? ALA B 39 . ? 1_555 ? 42 AC5 17 TRP B 69 ? TRP B 70 . ? 1_555 ? 43 AC5 17 SER B 72 ? SER B 73 . ? 1_555 ? 44 AC5 17 SER B 74 ? SER B 75 . ? 1_555 ? 45 AC5 17 TRP B 96 ? TRP B 97 . ? 1_555 ? 46 AC5 17 ILE B 116 ? ILE B 117 . ? 1_555 ? 47 AC5 17 ASN B 117 ? ASN B 118 . ? 1_555 ? 48 AC5 17 ILE B 118 ? ILE B 119 . ? 1_555 ? 49 AC5 17 HOH T . ? HOH B 148 . ? 1_555 ? 50 AC5 17 TRP D 109 ? TRP D 110 . ? 1_555 ? 51 AC6 3 GLY B 14 ? GLY B 15 . ? 1_555 ? 52 AC6 3 ASN B 16 ? ASN B 17 . ? 1_555 ? 53 AC6 3 ILE B 33 ? ILE B 34 . ? 1_555 ? 54 AC7 7 LYS B 8 ? LYS B 9 . ? 1_555 ? 55 AC7 7 HOH T . ? HOH B 144 . ? 1_555 ? 56 AC7 7 ARG C 1 ? ARG C 2 . ? 4_455 ? 57 AC7 7 LYS C 89 ? LYS C 90 . ? 4_455 ? 58 AC7 7 GLU C 90 ? GLU C 91 . ? 4_455 ? 59 AC7 7 ARG C 121 ? ARG C 122 . ? 4_455 ? 60 AC7 7 HOH U . ? HOH C 135 . ? 4_455 ? 61 AC8 2 ARG B 58 ? ARG B 59 . ? 1_555 ? 62 AC8 2 THR B 59 ? THR B 60 . ? 1_555 ? 63 AC9 19 TRP A 109 ? TRP A 110 . ? 1_555 ? 64 AC9 19 ASN C 11 ? ASN C 12 . ? 1_555 ? 65 AC9 19 ASP C 12 ? ASP C 13 . ? 1_555 ? 66 AC9 19 LEU C 13 ? LEU C 14 . ? 1_555 ? 67 AC9 19 SER C 15 ? SER C 16 . ? 1_555 ? 68 AC9 19 TYR C 32 ? TYR C 33 . ? 1_555 ? 69 AC9 19 THR C 34 ? THR C 35 . ? 1_555 ? 70 AC9 19 VAL C 36 ? VAL C 37 . ? 1_555 ? 71 AC9 19 THR C 37 ? THR C 38 . ? 1_555 ? 72 AC9 19 ALA C 38 ? ALA C 39 . ? 1_555 ? 73 AC9 19 THR C 39 ? THR C 40 . ? 1_555 ? 74 AC9 19 TRP C 69 ? TRP C 70 . ? 1_555 ? 75 AC9 19 SER C 74 ? SER C 75 . ? 1_555 ? 76 AC9 19 THR C 76 ? THR C 77 . ? 1_555 ? 77 AC9 19 TRP C 96 ? TRP C 97 . ? 1_555 ? 78 AC9 19 ILE C 116 ? ILE C 117 . ? 1_555 ? 79 AC9 19 ASN C 117 ? ASN C 118 . ? 1_555 ? 80 AC9 19 HOH U . ? HOH C 148 . ? 1_555 ? 81 AC9 19 HOH U . ? HOH C 158 . ? 1_555 ? 82 BC1 4 GLY C 14 ? GLY C 15 . ? 1_555 ? 83 BC1 4 ASN C 16 ? ASN C 17 . ? 1_555 ? 84 BC1 4 ILE C 33 ? ILE C 34 . ? 1_555 ? 85 BC1 4 HOH U . ? HOH C 157 . ? 1_555 ? 86 BC2 2 ARG C 58 ? ARG C 59 . ? 1_555 ? 87 BC2 2 THR C 59 ? THR C 60 . ? 1_555 ? 88 BC3 18 TRP B 109 ? TRP B 110 . ? 1_555 ? 89 BC3 18 ASN D 11 ? ASN D 12 . ? 1_555 ? 90 BC3 18 ASP D 12 ? ASP D 13 . ? 1_555 ? 91 BC3 18 LEU D 13 ? LEU D 14 . ? 1_555 ? 92 BC3 18 SER D 15 ? SER D 16 . ? 1_555 ? 93 BC3 18 TYR D 32 ? TYR D 33 . ? 1_555 ? 94 BC3 18 THR D 34 ? THR D 35 . ? 1_555 ? 95 BC3 18 VAL D 36 ? VAL D 37 . ? 1_555 ? 96 BC3 18 THR D 37 ? THR D 38 . ? 1_555 ? 97 BC3 18 ALA D 38 ? ALA D 39 . ? 1_555 ? 98 BC3 18 TRP D 69 ? TRP D 70 . ? 1_555 ? 99 BC3 18 SER D 72 ? SER D 73 . ? 1_555 ? 100 BC3 18 SER D 74 ? SER D 75 . ? 1_555 ? 101 BC3 18 TRP D 96 ? TRP D 97 . ? 1_555 ? 102 BC3 18 ILE D 116 ? ILE D 117 . ? 1_555 ? 103 BC3 18 ASN D 117 ? ASN D 118 . ? 1_555 ? 104 BC3 18 HOH V . ? HOH D 158 . ? 1_555 ? 105 BC3 18 HOH V . ? HOH D 184 . ? 1_555 ? 106 BC4 3 GLY D 14 ? GLY D 15 . ? 1_555 ? 107 BC4 3 ASN D 16 ? ASN D 17 . ? 1_555 ? 108 BC4 3 ILE D 33 ? ILE D 34 . ? 1_555 ? 109 BC5 2 ARG D 58 ? ARG D 59 . ? 1_555 ? 110 BC5 2 THR D 59 ? THR D 60 . ? 1_555 ? # _atom_sites.entry_id 3VHI _atom_sites.fract_transf_matrix[1][1] 0.007646 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004424 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013614 _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] 0.014219 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C 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 . ARG A 1 1 ? -10.068 17.184 -22.249 1.00 34.91 ? 2 ARG A N 1 ATOM 2 C CA . ARG A 1 1 ? -11.341 17.901 -22.033 1.00 34.50 ? 2 ARG A CA 1 ATOM 3 C C . ARG A 1 1 ? -12.080 17.181 -20.922 1.00 31.98 ? 2 ARG A C 1 ATOM 4 O O . ARG A 1 1 ? -11.852 15.998 -20.674 1.00 34.47 ? 2 ARG A O 1 ATOM 5 C CB . ARG A 1 1 ? -12.256 17.883 -23.287 1.00 34.49 ? 2 ARG A CB 1 ATOM 6 C CG . ARG A 1 1 ? -11.730 18.620 -24.520 1.00 35.60 ? 2 ARG A CG 1 ATOM 7 C CD . ARG A 1 1 ? -12.520 18.254 -25.759 1.00 29.81 ? 2 ARG A CD 1 ATOM 8 N NE . ARG A 1 1 ? -13.814 18.862 -25.689 1.00 28.68 ? 2 ARG A NE 1 ATOM 9 C CZ . ARG A 1 1 ? -14.816 18.675 -26.519 1.00 29.78 ? 2 ARG A CZ 1 ATOM 10 N NH1 . ARG A 1 1 ? -14.730 17.898 -27.615 1.00 27.41 ? 2 ARG A NH1 1 ATOM 11 N NH2 . ARG A 1 1 ? -15.927 19.378 -26.316 1.00 30.69 ? 2 ARG A NH2 1 ATOM 12 N N . LYS A 1 2 ? -13.002 17.898 -20.324 1.00 32.03 ? 3 LYS A N 1 ATOM 13 C CA . LYS A 1 2 ? -14.032 17.262 -19.523 1.00 30.54 ? 3 LYS A CA 1 ATOM 14 C C . LYS A 1 2 ? -15.228 16.973 -20.393 1.00 31.25 ? 3 LYS A C 1 ATOM 15 O O . LYS A 1 2 ? -15.666 17.806 -21.245 1.00 31.63 ? 3 LYS A O 1 ATOM 16 C CB . LYS A 1 2 ? -14.418 18.160 -18.344 1.00 26.16 ? 3 LYS A CB 1 ATOM 17 C CG . LYS A 1 2 ? -15.816 17.906 -17.788 1.00 25.33 ? 3 LYS A CG 1 ATOM 18 C CD . LYS A 1 2 ? -15.856 17.290 -16.309 1.00 26.73 ? 3 LYS A CD 1 ATOM 19 C CE . LYS A 1 2 ? -16.941 16.169 -16.054 1.00 24.04 ? 3 LYS A CE 1 ATOM 20 N NZ . LYS A 1 2 ? -18.385 16.524 -16.550 1.00 25.65 ? 3 LYS A NZ 1 ATOM 21 N N . CYS A 1 3 ? -15.791 15.801 -20.209 1.00 27.24 ? 4 CYS A N 1 ATOM 22 C CA . CYS A 1 3 ? -16.926 15.412 -20.982 1.00 26.98 ? 4 CYS A CA 1 ATOM 23 C C . CYS A 1 3 ? -18.155 15.827 -20.224 1.00 29.04 ? 4 CYS A C 1 ATOM 24 O O . CYS A 1 3 ? -18.325 15.427 -19.112 1.00 28.61 ? 4 CYS A O 1 ATOM 25 C CB . CYS A 1 3 ? -16.914 13.895 -21.250 1.00 27.16 ? 4 CYS A CB 1 ATOM 26 S SG . CYS A 1 3 ? -18.040 13.333 -22.444 1.00 28.27 ? 4 CYS A SG 1 ATOM 27 N N . SER A 1 4 ? -18.985 16.646 -20.861 1.00 26.86 ? 5 SER A N 1 ATOM 28 C CA . SER A 1 4 ? -20.230 17.163 -20.258 1.00 26.63 ? 5 SER A CA 1 ATOM 29 C C . SER A 1 4 ? -21.468 16.613 -20.947 1.00 25.33 ? 5 SER A C 1 ATOM 30 O O . SER A 1 4 ? -21.515 16.509 -22.186 1.00 26.30 ? 5 SER A O 1 ATOM 31 C CB . SER A 1 4 ? -20.199 18.736 -20.415 1.00 28.47 ? 5 SER A CB 1 ATOM 32 O OG . SER A 1 4 ? -21.456 19.274 -19.990 1.00 30.82 ? 5 SER A OG 1 ATOM 33 N N . LEU A 1 5 ? -22.524 16.325 -20.183 1.00 23.39 ? 6 LEU A N 1 ATOM 34 C CA . LEU A 1 5 ? -23.753 15.799 -20.719 1.00 23.42 ? 6 LEU A CA 1 ATOM 35 C C . LEU A 1 5 ? -24.616 16.851 -21.399 1.00 24.00 ? 6 LEU A C 1 ATOM 36 O O . LEU A 1 5 ? -25.503 16.553 -22.183 1.00 23.66 ? 6 LEU A O 1 ATOM 37 C CB . LEU A 1 5 ? -24.530 15.127 -19.559 1.00 24.02 ? 6 LEU A CB 1 ATOM 38 C CG . LEU A 1 5 ? -23.804 13.863 -19.054 1.00 25.85 ? 6 LEU A CG 1 ATOM 39 C CD1 . LEU A 1 5 ? -24.717 13.348 -17.921 1.00 26.23 ? 6 LEU A CD1 1 ATOM 40 C CD2 . LEU A 1 5 ? -23.617 12.825 -20.125 1.00 28.43 ? 6 LEU A CD2 1 ATOM 41 N N . THR A 1 6 ? -24.397 18.112 -21.022 1.00 24.95 ? 7 THR A N 1 ATOM 42 C CA . THR A 1 6 ? -25.319 19.186 -21.364 1.00 24.75 ? 7 THR A CA 1 ATOM 43 C C . THR A 1 6 ? -25.224 19.524 -22.837 1.00 25.61 ? 7 THR A C 1 ATOM 44 O O . THR A 1 6 ? -24.127 19.727 -23.340 1.00 26.00 ? 7 THR A O 1 ATOM 45 C CB . THR A 1 6 ? -25.082 20.473 -20.462 1.00 25.77 ? 7 THR A CB 1 ATOM 46 O OG1 . THR A 1 6 ? -25.285 20.103 -19.078 1.00 24.22 ? 7 THR A OG1 1 ATOM 47 C CG2 . THR A 1 6 ? -26.055 21.606 -20.931 1.00 27.40 ? 7 THR A CG2 1 ATOM 48 N N . GLY A 1 7 ? -26.345 19.539 -23.535 1.00 23.71 ? 8 GLY A N 1 ATOM 49 C CA . GLY A 1 7 ? -26.364 19.809 -24.958 1.00 25.51 ? 8 GLY A CA 1 ATOM 50 C C . GLY A 1 7 ? -27.362 18.977 -25.751 1.00 24.39 ? 8 GLY A C 1 ATOM 51 O O . GLY A 1 7 ? -28.129 18.161 -25.200 1.00 25.04 ? 8 GLY A O 1 ATOM 52 N N . LYS A 1 8 ? -27.355 19.160 -27.086 1.00 23.85 ? 9 LYS A N 1 ATOM 53 C CA . LYS A 1 8 ? -28.217 18.391 -27.968 1.00 26.42 ? 9 LYS A CA 1 ATOM 54 C C . LYS A 1 8 ? -27.362 17.248 -28.544 1.00 25.23 ? 9 LYS A C 1 ATOM 55 O O . LYS A 1 8 ? -26.225 17.514 -28.992 1.00 26.85 ? 9 LYS A O 1 ATOM 56 C CB . LYS A 1 8 ? -28.748 19.303 -29.153 1.00 27.09 ? 9 LYS A CB 1 ATOM 57 C CG . LYS A 1 8 ? -29.949 18.621 -29.883 1.00 35.89 ? 9 LYS A CG 1 ATOM 58 C CD . LYS A 1 8 ? -30.546 19.406 -31.192 1.00 38.67 ? 9 LYS A CD 1 ATOM 59 C CE . LYS A 1 8 ? -31.936 18.801 -31.590 1.00 47.35 ? 9 LYS A CE 1 ATOM 60 N NZ . LYS A 1 8 ? -32.405 19.146 -32.964 1.00 46.19 ? 9 LYS A NZ 1 ATOM 61 N N . TRP A 1 9 ? -27.907 16.016 -28.548 1.00 24.06 ? 10 TRP A N 1 ATOM 62 C CA . TRP A 1 9 ? -27.164 14.837 -29.047 1.00 21.59 ? 10 TRP A CA 1 ATOM 63 C C . TRP A 1 9 ? -27.987 14.164 -30.094 1.00 21.25 ? 10 TRP A C 1 ATOM 64 O O . TRP A 1 9 ? -29.230 14.200 -30.036 1.00 24.23 ? 10 TRP A O 1 ATOM 65 C CB . TRP A 1 9 ? -27.093 13.837 -27.848 1.00 21.50 ? 10 TRP A CB 1 ATOM 66 C CG . TRP A 1 9 ? -26.278 14.436 -26.699 1.00 19.18 ? 10 TRP A CG 1 ATOM 67 C CD1 . TRP A 1 9 ? -26.726 15.216 -25.628 1.00 20.84 ? 10 TRP A CD1 1 ATOM 68 C CD2 . TRP A 1 9 ? -24.905 14.279 -26.519 1.00 19.85 ? 10 TRP A CD2 1 ATOM 69 N NE1 . TRP A 1 9 ? -25.694 15.505 -24.802 1.00 19.39 ? 10 TRP A NE1 1 ATOM 70 C CE2 . TRP A 1 9 ? -24.541 14.997 -25.350 1.00 17.09 ? 10 TRP A CE2 1 ATOM 71 C CE3 . TRP A 1 9 ? -23.899 13.611 -27.252 1.00 21.89 ? 10 TRP A CE3 1 ATOM 72 C CZ2 . TRP A 1 9 ? -23.242 15.036 -24.850 1.00 20.84 ? 10 TRP A CZ2 1 ATOM 73 C CZ3 . TRP A 1 9 ? -22.553 13.684 -26.745 1.00 21.50 ? 10 TRP A CZ3 1 ATOM 74 C CH2 . TRP A 1 9 ? -22.270 14.391 -25.537 1.00 22.68 ? 10 TRP A CH2 1 ATOM 75 N N . THR A 1 10 ? -27.340 13.300 -30.912 1.00 21.52 ? 11 THR A N 1 ATOM 76 C CA . THR A 1 10 ? -28.084 12.513 -31.866 1.00 23.21 ? 11 THR A CA 1 ATOM 77 C C . THR A 1 10 ? -27.393 11.141 -31.967 1.00 22.40 ? 11 THR A C 1 ATOM 78 O O . THR A 1 10 ? -26.214 11.010 -31.574 1.00 24.07 ? 11 THR A O 1 ATOM 79 C CB . THR A 1 10 ? -28.123 13.176 -33.287 1.00 24.10 ? 11 THR A CB 1 ATOM 80 O OG1 . THR A 1 10 ? -29.014 12.486 -34.096 1.00 25.03 ? 11 THR A OG1 1 ATOM 81 C CG2 . THR A 1 10 ? -26.751 13.173 -33.988 1.00 26.64 ? 11 THR A CG2 1 ATOM 82 N N . ASN A 1 11 ? -28.113 10.169 -32.503 1.00 24.72 ? 12 ASN A N 1 ATOM 83 C CA . ASN A 1 11 ? -27.529 8.780 -32.756 1.00 27.37 ? 12 ASN A CA 1 ATOM 84 C C . ASN A 1 11 ? -27.674 8.365 -34.258 1.00 32.22 ? 12 ASN A C 1 ATOM 85 O O . ASN A 1 11 ? -28.097 9.200 -35.105 1.00 31.40 ? 12 ASN A O 1 ATOM 86 C CB . ASN A 1 11 ? -28.102 7.768 -31.766 1.00 27.13 ? 12 ASN A CB 1 ATOM 87 C CG . ASN A 1 11 ? -29.593 7.436 -31.953 1.00 28.77 ? 12 ASN A CG 1 ATOM 88 O OD1 . ASN A 1 11 ? -30.245 6.841 -31.050 1.00 34.00 ? 12 ASN A OD1 1 ATOM 89 N ND2 . ASN A 1 11 ? -30.111 7.730 -33.121 1.00 23.60 ? 12 ASN A ND2 1 ATOM 90 N N . ASP A 1 12 ? -27.309 7.113 -34.595 1.00 33.45 ? 13 ASP A N 1 ATOM 91 C CA . ASP A 1 12 ? -27.363 6.706 -36.028 1.00 37.66 ? 13 ASP A CA 1 ATOM 92 C C . ASP A 1 12 ? -28.751 6.532 -36.619 1.00 38.54 ? 13 ASP A C 1 ATOM 93 O O . ASP A 1 12 ? -28.922 6.661 -37.884 1.00 39.36 ? 13 ASP A O 1 ATOM 94 C CB . ASP A 1 12 ? -26.502 5.453 -36.334 1.00 37.90 ? 13 ASP A CB 1 ATOM 95 C CG . ASP A 1 12 ? -25.003 5.801 -36.498 1.00 42.91 ? 13 ASP A CG 1 ATOM 96 O OD1 . ASP A 1 12 ? -24.185 4.881 -36.694 1.00 43.01 ? 13 ASP A OD1 1 ATOM 97 O OD2 . ASP A 1 12 ? -24.628 7.009 -36.432 1.00 44.77 ? 13 ASP A OD2 1 ATOM 98 N N . LEU A 1 13 ? -29.738 6.318 -35.743 1.00 37.21 ? 14 LEU A N 1 ATOM 99 C CA . LEU A 1 13 ? -31.096 6.187 -36.191 1.00 38.92 ? 14 LEU A CA 1 ATOM 100 C C . LEU A 1 13 ? -31.718 7.541 -36.560 1.00 37.89 ? 14 LEU A C 1 ATOM 101 O O . LEU A 1 13 ? -32.821 7.575 -37.101 1.00 39.61 ? 14 LEU A O 1 ATOM 102 C CB . LEU A 1 13 ? -31.950 5.604 -35.103 1.00 38.99 ? 14 LEU A CB 1 ATOM 103 C CG . LEU A 1 13 ? -31.847 4.122 -34.822 1.00 44.38 ? 14 LEU A CG 1 ATOM 104 C CD1 . LEU A 1 13 ? -32.642 3.760 -33.577 1.00 47.78 ? 14 LEU A CD1 1 ATOM 105 C CD2 . LEU A 1 13 ? -32.308 3.306 -36.098 1.00 48.58 ? 14 LEU A CD2 1 ATOM 106 N N . GLY A 1 14 ? -31.036 8.614 -36.183 1.00 34.93 ? 15 GLY A N 1 ATOM 107 C CA . GLY A 1 14 ? -31.561 9.939 -36.215 1.00 32.88 ? 15 GLY A CA 1 ATOM 108 C C . GLY A 1 14 ? -32.413 10.318 -35.015 1.00 31.33 ? 15 GLY A C 1 ATOM 109 O O . GLY A 1 14 ? -33.101 11.362 -35.032 1.00 30.89 ? 15 GLY A O 1 ATOM 110 N N . SER A 1 15 ? -32.437 9.502 -33.960 1.00 27.03 ? 16 SER A N 1 ATOM 111 C CA . SER A 1 15 ? -33.104 9.967 -32.694 1.00 23.86 ? 16 SER A CA 1 ATOM 112 C C . SER A 1 15 ? -32.281 11.099 -32.071 1.00 21.89 ? 16 SER A C 1 ATOM 113 O O . SER A 1 15 ? -31.084 11.113 -32.161 1.00 22.69 ? 16 SER A O 1 ATOM 114 C CB . SER A 1 15 ? -33.157 8.885 -31.611 1.00 20.45 ? 16 SER A CB 1 ATOM 115 O OG . SER A 1 15 ? -33.909 7.783 -32.016 1.00 20.92 ? 16 SER A OG 1 ATOM 116 N N . ASN A 1 16 ? -32.929 12.066 -31.415 1.00 22.66 ? 17 ASN A N 1 ATOM 117 C CA . ASN A 1 16 ? -32.201 13.159 -30.805 1.00 22.24 ? 17 ASN A CA 1 ATOM 118 C C . ASN A 1 16 ? -32.601 13.271 -29.360 1.00 21.78 ? 17 ASN A C 1 ATOM 119 O O . ASN A 1 16 ? -33.701 12.887 -28.976 1.00 22.94 ? 17 ASN A O 1 ATOM 120 C CB . ASN A 1 16 ? -32.552 14.550 -31.413 1.00 24.16 ? 17 ASN A CB 1 ATOM 121 C CG . ASN A 1 16 ? -32.291 14.594 -32.865 1.00 25.59 ? 17 ASN A CG 1 ATOM 122 O OD1 . ASN A 1 16 ? -31.240 14.185 -33.359 1.00 27.68 ? 17 ASN A OD1 1 ATOM 123 N ND2 . ASN A 1 16 ? -33.264 15.157 -33.580 1.00 25.21 ? 17 ASN A ND2 1 ATOM 124 N N . MET A 1 17 ? -31.679 13.761 -28.542 1.00 22.80 ? 18 MET A N 1 ATOM 125 C CA . MET A 1 17 ? -32.064 14.107 -27.179 1.00 24.10 ? 18 MET A CA 1 ATOM 126 C C . MET A 1 17 ? -31.411 15.405 -26.758 1.00 22.73 ? 18 MET A C 1 ATOM 127 O O . MET A 1 17 ? -30.294 15.748 -27.170 1.00 23.97 ? 18 MET A O 1 ATOM 128 C CB . MET A 1 17 ? -31.787 12.934 -26.181 1.00 27.50 ? 18 MET A CB 1 ATOM 129 C CG . MET A 1 17 ? -30.408 12.811 -25.813 1.00 26.23 ? 18 MET A CG 1 ATOM 130 S SD . MET A 1 17 ? -30.185 11.640 -24.361 1.00 23.08 ? 18 MET A SD 1 ATOM 131 C CE . MET A 1 17 ? -28.379 11.590 -24.585 1.00 18.59 ? 18 MET A CE 1 ATOM 132 N N . THR A 1 18 ? -32.076 16.163 -25.894 1.00 23.91 ? 19 THR A N 1 ATOM 133 C CA . THR A 1 18 ? -31.486 17.348 -25.326 1.00 25.02 ? 19 THR A CA 1 ATOM 134 C C . THR A 1 18 ? -31.355 17.193 -23.817 1.00 24.60 ? 19 THR A C 1 ATOM 135 O O . THR A 1 18 ? -32.285 16.789 -23.211 1.00 26.18 ? 19 THR A O 1 ATOM 136 C CB . THR A 1 18 ? -32.389 18.563 -25.644 1.00 27.33 ? 19 THR A CB 1 ATOM 137 O OG1 . THR A 1 18 ? -32.416 18.649 -27.067 1.00 29.04 ? 19 THR A OG1 1 ATOM 138 C CG2 . THR A 1 18 ? -31.769 19.858 -25.048 1.00 28.01 ? 19 THR A CG2 1 ATOM 139 N N . ILE A 1 19 ? -30.177 17.403 -23.270 1.00 25.18 ? 20 ILE A N 1 ATOM 140 C CA . ILE A 1 19 ? -29.982 17.331 -21.823 1.00 24.88 ? 20 ILE A CA 1 ATOM 141 C C . ILE A 1 19 ? -29.669 18.743 -21.341 1.00 27.30 ? 20 ILE A C 1 ATOM 142 O O . ILE A 1 19 ? -28.773 19.457 -21.874 1.00 27.06 ? 20 ILE A O 1 ATOM 143 C CB . ILE A 1 19 ? -28.849 16.405 -21.493 1.00 26.41 ? 20 ILE A CB 1 ATOM 144 C CG1 . ILE A 1 19 ? -29.361 15.017 -21.861 1.00 21.55 ? 20 ILE A CG1 1 ATOM 145 C CG2 . ILE A 1 19 ? -28.420 16.492 -19.985 1.00 24.90 ? 20 ILE A CG2 1 ATOM 146 C CD1 . ILE A 1 19 ? -28.290 13.970 -21.720 1.00 25.03 ? 20 ILE A CD1 1 ATOM 147 N N . GLY A 1 20 ? -30.392 19.133 -20.297 1.00 27.40 ? 21 GLY A N 1 ATOM 148 C CA . GLY A 1 20 ? -30.154 20.462 -19.707 1.00 26.40 ? 21 GLY A CA 1 ATOM 149 C C . GLY A 1 20 ? -28.978 20.578 -18.816 1.00 28.22 ? 21 GLY A C 1 ATOM 150 O O . GLY A 1 20 ? -28.047 19.774 -18.835 1.00 26.88 ? 21 GLY A O 1 ATOM 151 N N . ALA A 1 21 ? -28.976 21.582 -17.947 1.00 26.25 ? 22 ALA A N 1 ATOM 152 C CA . ALA A 1 21 ? -27.815 21.679 -17.053 1.00 25.69 ? 22 ALA A CA 1 ATOM 153 C C . ALA A 1 21 ? -27.796 20.600 -15.999 1.00 26.09 ? 22 ALA A C 1 ATOM 154 O O . ALA A 1 21 ? -28.874 20.131 -15.574 1.00 28.61 ? 22 ALA A O 1 ATOM 155 C CB . ALA A 1 21 ? -27.884 23.041 -16.277 1.00 26.75 ? 22 ALA A CB 1 ATOM 156 N N . VAL A 1 22 ? -26.611 20.294 -15.557 1.00 26.49 ? 23 VAL A N 1 ATOM 157 C CA . VAL A 1 22 ? -26.425 19.301 -14.518 1.00 25.38 ? 23 VAL A CA 1 ATOM 158 C C . VAL A 1 22 ? -26.175 20.065 -13.217 1.00 28.43 ? 23 VAL A C 1 ATOM 159 O O . VAL A 1 22 ? -25.105 20.784 -13.084 1.00 30.63 ? 23 VAL A O 1 ATOM 160 C CB . VAL A 1 22 ? -25.246 18.345 -14.851 1.00 25.48 ? 23 VAL A CB 1 ATOM 161 C CG1 . VAL A 1 22 ? -25.118 17.405 -13.722 1.00 26.85 ? 23 VAL A CG1 1 ATOM 162 C CG2 . VAL A 1 22 ? -25.448 17.654 -16.152 1.00 22.08 ? 23 VAL A CG2 1 ATOM 163 N N . ASN A 1 23 ? -27.059 19.855 -12.233 1.00 26.18 ? 24 ASN A N 1 ATOM 164 C CA . ASN A 1 23 ? -26.910 20.539 -10.879 1.00 26.46 ? 24 ASN A CA 1 ATOM 165 C C . ASN A 1 23 ? -25.828 19.918 -9.951 1.00 29.04 ? 24 ASN A C 1 ATOM 166 O O . ASN A 1 23 ? -25.114 18.976 -10.372 1.00 29.22 ? 24 ASN A O 1 ATOM 167 C CB . ASN A 1 23 ? -28.278 20.690 -10.306 1.00 27.14 ? 24 ASN A CB 1 ATOM 168 C CG . ASN A 1 23 ? -28.790 19.457 -9.589 1.00 28.00 ? 24 ASN A CG 1 ATOM 169 O OD1 . ASN A 1 23 ? -29.992 19.419 -9.243 1.00 35.78 ? 24 ASN A OD1 1 ATOM 170 N ND2 . ASN A 1 23 ? -27.940 18.429 -9.423 1.00 27.86 ? 24 ASN A ND2 1 ATOM 171 N N . SER A 1 24 ? -25.598 20.510 -8.749 1.00 32.14 ? 25 SER A N 1 ATOM 172 C CA . SER A 1 24 ? -24.464 20.102 -7.853 1.00 33.87 ? 25 SER A CA 1 ATOM 173 C C . SER A 1 24 ? -24.623 18.664 -7.315 1.00 35.61 ? 25 SER A C 1 ATOM 174 O O . SER A 1 24 ? -23.603 17.996 -6.997 1.00 36.21 ? 25 SER A O 1 ATOM 175 C CB . SER A 1 24 ? -24.311 21.027 -6.590 1.00 33.29 ? 25 SER A CB 1 ATOM 176 O OG . SER A 1 24 ? -25.502 21.067 -5.784 1.00 35.79 ? 25 SER A OG 1 ATOM 177 N N . ARG A 1 25 ? -25.871 18.204 -7.240 1.00 35.02 ? 26 ARG A N 1 ATOM 178 C CA . ARG A 1 25 ? -26.119 16.770 -6.939 1.00 34.53 ? 26 ARG A CA 1 ATOM 179 C C . ARG A 1 25 ? -26.101 15.827 -8.173 1.00 32.17 ? 26 ARG A C 1 ATOM 180 O O . ARG A 1 25 ? -26.500 14.661 -8.051 1.00 30.87 ? 26 ARG A O 1 ATOM 181 C CB . ARG A 1 25 ? -27.449 16.646 -6.227 1.00 35.58 ? 26 ARG A CB 1 ATOM 182 C CG . ARG A 1 25 ? -27.598 17.673 -5.006 1.00 39.42 ? 26 ARG A CG 1 ATOM 183 C CD . ARG A 1 25 ? -29.063 17.669 -4.434 1.00 46.14 ? 26 ARG A CD 1 ATOM 184 N NE . ARG A 1 25 ? -29.980 18.614 -5.123 1.00 60.54 ? 26 ARG A NE 1 ATOM 185 C CZ . ARG A 1 25 ? -31.320 18.483 -5.207 1.00 62.87 ? 26 ARG A CZ 1 ATOM 186 N NH1 . ARG A 1 25 ? -32.029 19.398 -5.870 1.00 61.90 ? 26 ARG A NH1 1 ATOM 187 N NH2 . ARG A 1 25 ? -31.960 17.419 -4.672 1.00 65.35 ? 26 ARG A NH2 1 ATOM 188 N N . GLY A 1 26 ? -25.793 16.345 -9.349 1.00 29.32 ? 27 GLY A N 1 ATOM 189 C CA . GLY A 1 26 ? -25.574 15.523 -10.552 1.00 27.54 ? 27 GLY A CA 1 ATOM 190 C C . GLY A 1 26 ? -26.861 15.270 -11.311 1.00 26.76 ? 27 GLY A C 1 ATOM 191 O O . GLY A 1 26 ? -26.859 14.495 -12.294 1.00 24.29 ? 27 GLY A O 1 ATOM 192 N N . GLU A 1 27 ? -27.931 15.976 -10.964 1.00 24.19 ? 28 GLU A N 1 ATOM 193 C CA . GLU A 1 27 ? -29.235 15.736 -11.573 1.00 24.97 ? 28 GLU A CA 1 ATOM 194 C C . GLU A 1 27 ? -29.397 16.574 -12.839 1.00 25.21 ? 28 GLU A C 1 ATOM 195 O O . GLU A 1 27 ? -28.883 17.767 -12.900 1.00 23.25 ? 28 GLU A O 1 ATOM 196 C CB . GLU A 1 27 ? -30.404 16.116 -10.632 1.00 24.34 ? 28 GLU A CB 1 ATOM 197 C CG . GLU A 1 27 ? -30.351 15.260 -9.322 1.00 26.51 ? 28 GLU A CG 1 ATOM 198 C CD . GLU A 1 27 ? -31.158 15.868 -8.172 1.00 38.84 ? 28 GLU A CD 1 ATOM 199 O OE1 . GLU A 1 27 ? -31.429 15.161 -7.173 1.00 42.73 ? 28 GLU A OE1 1 ATOM 200 O OE2 . GLU A 1 27 ? -31.481 17.047 -8.227 1.00 37.89 ? 28 GLU A OE2 1 ATOM 201 N N . PHE A 1 28 ? -30.028 15.945 -13.844 1.00 21.55 ? 29 PHE A N 1 ATOM 202 C CA . PHE A 1 28 ? -30.383 16.632 -15.036 1.00 20.28 ? 29 PHE A CA 1 ATOM 203 C C . PHE A 1 28 ? -31.741 16.194 -15.564 1.00 21.60 ? 29 PHE A C 1 ATOM 204 O O . PHE A 1 28 ? -32.222 15.089 -15.256 1.00 19.78 ? 29 PHE A O 1 ATOM 205 C CB . PHE A 1 28 ? -29.304 16.472 -16.101 1.00 20.32 ? 29 PHE A CB 1 ATOM 206 C CG . PHE A 1 28 ? -29.055 15.006 -16.482 1.00 18.61 ? 29 PHE A CG 1 ATOM 207 C CD1 . PHE A 1 28 ? -28.062 14.322 -15.873 1.00 17.76 ? 29 PHE A CD1 1 ATOM 208 C CD2 . PHE A 1 28 ? -29.847 14.363 -17.460 1.00 18.39 ? 29 PHE A CD2 1 ATOM 209 C CE1 . PHE A 1 28 ? -27.773 12.959 -16.250 1.00 19.29 ? 29 PHE A CE1 1 ATOM 210 C CE2 . PHE A 1 28 ? -29.657 12.929 -17.773 1.00 17.87 ? 29 PHE A CE2 1 ATOM 211 C CZ . PHE A 1 28 ? -28.513 12.292 -17.182 1.00 18.44 ? 29 PHE A CZ 1 ATOM 212 N N . THR A 1 29 ? -32.320 17.071 -16.394 1.00 21.57 ? 30 THR A N 1 ATOM 213 C CA . THR A 1 29 ? -33.583 16.806 -17.095 1.00 23.05 ? 30 THR A CA 1 ATOM 214 C C . THR A 1 29 ? -33.385 17.000 -18.552 1.00 23.08 ? 30 THR A C 1 ATOM 215 O O . THR A 1 29 ? -32.520 17.770 -18.948 1.00 24.65 ? 30 THR A O 1 ATOM 216 C CB . THR A 1 29 ? -34.645 17.807 -16.633 1.00 24.99 ? 30 THR A CB 1 ATOM 217 O OG1 . THR A 1 29 ? -34.856 17.511 -15.246 1.00 27.97 ? 30 THR A OG1 1 ATOM 218 C CG2 . THR A 1 29 ? -35.976 17.558 -17.337 1.00 28.68 ? 30 THR A CG2 1 ATOM 219 N N . GLY A 1 30 ? -34.258 16.374 -19.364 1.00 23.38 ? 31 GLY A N 1 ATOM 220 C CA . GLY A 1 30 ? -34.159 16.615 -20.786 1.00 20.61 ? 31 GLY A CA 1 ATOM 221 C C . GLY A 1 30 ? -35.353 16.105 -21.524 1.00 20.06 ? 31 GLY A C 1 ATOM 222 O O . GLY A 1 30 ? -36.370 15.790 -20.923 1.00 19.58 ? 31 GLY A O 1 ATOM 223 N N . THR A 1 31 ? -35.171 16.010 -22.862 1.00 22.39 ? 32 THR A N 1 ATOM 224 C CA . THR A 1 31 ? -36.208 15.523 -23.729 1.00 22.24 ? 32 THR A CA 1 ATOM 225 C C . THR A 1 31 ? -35.576 14.578 -24.742 1.00 21.98 ? 32 THR A C 1 ATOM 226 O O . THR A 1 31 ? -34.425 14.755 -25.074 1.00 24.76 ? 32 THR A O 1 ATOM 227 C CB . THR A 1 31 ? -36.845 16.685 -24.582 1.00 24.19 ? 32 THR A CB 1 ATOM 228 O OG1 . THR A 1 31 ? -35.815 17.293 -25.340 1.00 27.85 ? 32 THR A OG1 1 ATOM 229 C CG2 . THR A 1 31 ? -37.527 17.698 -23.691 1.00 25.86 ? 32 THR A CG2 1 ATOM 230 N N . TYR A 1 32 ? -36.377 13.619 -25.210 1.00 21.07 ? 33 TYR A N 1 ATOM 231 C CA . TYR A 1 32 ? -35.933 12.631 -26.144 1.00 22.16 ? 33 TYR A CA 1 ATOM 232 C C . TYR A 1 32 ? -36.991 12.550 -27.257 1.00 21.73 ? 33 TYR A C 1 ATOM 233 O O . TYR A 1 32 ? -38.209 12.328 -26.969 1.00 22.09 ? 33 TYR A O 1 ATOM 234 C CB . TYR A 1 32 ? -35.881 11.249 -25.420 1.00 20.95 ? 33 TYR A CB 1 ATOM 235 C CG . TYR A 1 32 ? -34.987 10.223 -26.140 1.00 21.13 ? 33 TYR A CG 1 ATOM 236 C CD1 . TYR A 1 32 ? -33.681 9.970 -25.650 1.00 21.78 ? 33 TYR A CD1 1 ATOM 237 C CD2 . TYR A 1 32 ? -35.414 9.541 -27.216 1.00 18.71 ? 33 TYR A CD2 1 ATOM 238 C CE1 . TYR A 1 32 ? -32.820 9.021 -26.304 1.00 21.09 ? 33 TYR A CE1 1 ATOM 239 C CE2 . TYR A 1 32 ? -34.590 8.550 -27.907 1.00 22.11 ? 33 TYR A CE2 1 ATOM 240 C CZ . TYR A 1 32 ? -33.281 8.308 -27.380 1.00 19.68 ? 33 TYR A CZ 1 ATOM 241 O OH . TYR A 1 32 ? -32.506 7.392 -28.081 1.00 21.33 ? 33 TYR A OH 1 ATOM 242 N N . ILE A 1 33 ? -36.484 12.617 -28.472 1.00 21.18 ? 34 ILE A N 1 ATOM 243 C CA . ILE A 1 33 ? -37.322 12.381 -29.651 1.00 21.16 ? 34 ILE A CA 1 ATOM 244 C C . ILE A 1 33 ? -36.805 11.177 -30.410 1.00 18.69 ? 34 ILE A C 1 ATOM 245 O O . ILE A 1 33 ? -35.802 11.284 -31.116 1.00 20.04 ? 34 ILE A O 1 ATOM 246 C CB . ILE A 1 33 ? -37.429 13.691 -30.534 1.00 24.18 ? 34 ILE A CB 1 ATOM 247 C CG1 . ILE A 1 33 ? -38.454 13.527 -31.714 1.00 27.28 ? 34 ILE A CG1 1 ATOM 248 C CG2 . ILE A 1 33 ? -36.066 14.319 -30.876 1.00 26.64 ? 34 ILE A CG2 1 ATOM 249 C CD1 . ILE A 1 33 ? -39.907 13.104 -31.282 1.00 30.92 ? 34 ILE A CD1 1 ATOM 250 N N . THR A 1 34 ? -37.536 10.112 -30.298 1.00 20.55 ? 35 THR A N 1 ATOM 251 C CA . THR A 1 34 ? -37.021 8.857 -30.924 1.00 22.21 ? 35 THR A CA 1 ATOM 252 C C . THR A 1 34 ? -37.430 8.858 -32.408 1.00 22.53 ? 35 THR A C 1 ATOM 253 O O . THR A 1 34 ? -38.578 9.282 -32.726 1.00 23.58 ? 35 THR A O 1 ATOM 254 C CB . THR A 1 34 ? -37.509 7.608 -30.187 1.00 22.58 ? 35 THR A CB 1 ATOM 255 O OG1 . THR A 1 34 ? -36.957 6.435 -30.843 1.00 23.26 ? 35 THR A OG1 1 ATOM 256 C CG2 . THR A 1 34 ? -39.075 7.440 -30.180 1.00 19.51 ? 35 THR A CG2 1 ATOM 257 N N . ALA A 1 35 ? -36.522 8.371 -33.229 1.00 22.68 ? 36 ALA A N 1 ATOM 258 C CA . ALA A 1 35 ? -36.772 8.016 -34.656 1.00 23.39 ? 36 ALA A CA 1 ATOM 259 C C . ALA A 1 35 ? -37.614 6.773 -34.894 1.00 25.30 ? 36 ALA A C 1 ATOM 260 O O . ALA A 1 35 ? -38.225 6.616 -35.970 1.00 23.62 ? 36 ALA A O 1 ATOM 261 C CB . ALA A 1 35 ? -35.462 8.055 -35.495 1.00 23.51 ? 36 ALA A CB 1 ATOM 262 N N . VAL A 1 36 ? -37.660 5.849 -33.936 1.00 23.57 ? 37 VAL A N 1 ATOM 263 C CA . VAL A 1 36 ? -38.223 4.518 -34.189 1.00 23.97 ? 37 VAL A CA 1 ATOM 264 C C . VAL A 1 36 ? -39.078 4.163 -32.986 1.00 23.53 ? 37 VAL A C 1 ATOM 265 O O . VAL A 1 36 ? -38.863 4.676 -31.859 1.00 24.29 ? 37 VAL A O 1 ATOM 266 C CB . VAL A 1 36 ? -37.060 3.472 -34.340 1.00 24.94 ? 37 VAL A CB 1 ATOM 267 C CG1 . VAL A 1 36 ? -36.234 3.740 -35.681 1.00 27.29 ? 37 VAL A CG1 1 ATOM 268 C CG2 . VAL A 1 36 ? -36.135 3.598 -33.097 1.00 24.34 ? 37 VAL A CG2 1 ATOM 269 N N . THR A 1 37 ? -40.044 3.279 -33.130 1.00 23.84 ? 38 THR A N 1 ATOM 270 C CA . THR A 1 37 ? -40.851 2.901 -32.033 1.00 25.22 ? 38 THR A CA 1 ATOM 271 C C . THR A 1 37 ? -41.219 1.435 -32.166 1.00 30.19 ? 38 THR A C 1 ATOM 272 O O . THR A 1 37 ? -41.267 0.913 -33.333 1.00 29.18 ? 38 THR A O 1 ATOM 273 C CB . THR A 1 37 ? -42.159 3.770 -31.948 1.00 25.40 ? 38 THR A CB 1 ATOM 274 O OG1 . THR A 1 37 ? -42.991 3.224 -30.954 1.00 26.10 ? 38 THR A OG1 1 ATOM 275 C CG2 . THR A 1 37 ? -42.995 3.569 -33.250 1.00 26.50 ? 38 THR A CG2 1 ATOM 276 N N . ALA A 1 38 ? -41.494 0.765 -31.026 1.00 28.75 ? 39 ALA A N 1 ATOM 277 C CA . ALA A 1 38 ? -42.095 -0.596 -31.065 1.00 31.65 ? 39 ALA A CA 1 ATOM 278 C C . ALA A 1 38 ? -43.624 -0.493 -30.996 1.00 32.42 ? 39 ALA A C 1 ATOM 279 O O . ALA A 1 38 ? -44.285 -1.510 -30.947 1.00 34.10 ? 39 ALA A O 1 ATOM 280 C CB . ALA A 1 38 ? -41.544 -1.461 -29.865 1.00 30.97 ? 39 ALA A CB 1 ATOM 281 N N . THR A 1 39 ? -44.181 0.739 -30.915 1.00 31.92 ? 40 THR A N 1 ATOM 282 C CA . THR A 1 39 ? -45.668 0.934 -30.871 1.00 31.32 ? 40 THR A CA 1 ATOM 283 C C . THR A 1 39 ? -46.193 1.020 -32.274 1.00 32.69 ? 40 THR A C 1 ATOM 284 O O . THR A 1 39 ? -45.420 0.924 -33.162 1.00 31.90 ? 40 THR A O 1 ATOM 285 C CB . THR A 1 39 ? -46.072 2.201 -30.109 1.00 29.32 ? 40 THR A CB 1 ATOM 286 O OG1 . THR A 1 39 ? -45.545 3.370 -30.786 1.00 29.11 ? 40 THR A OG1 1 ATOM 287 C CG2 . THR A 1 39 ? -45.453 2.145 -28.686 1.00 33.16 ? 40 THR A CG2 1 ATOM 288 N N . SER A 1 40 ? -47.502 1.217 -32.421 1.00 34.44 ? 41 SER A N 1 ATOM 289 C CA . SER A 1 40 ? -48.166 1.433 -33.710 1.00 36.12 ? 41 SER A CA 1 ATOM 290 C C . SER A 1 40 ? -48.777 2.845 -33.668 1.00 36.81 ? 41 SER A C 1 ATOM 291 O O . SER A 1 40 ? -49.872 3.067 -34.252 1.00 35.92 ? 41 SER A O 1 ATOM 292 C CB . SER A 1 40 ? -49.314 0.408 -33.841 1.00 35.71 ? 41 SER A CB 1 ATOM 293 O OG . SER A 1 40 ? -48.772 -0.917 -34.131 1.00 41.55 ? 41 SER A OG 1 ATOM 294 N N . ASN A 1 41 ? -48.135 3.696 -32.843 1.00 35.44 ? 42 ASN A N 1 ATOM 295 C CA . ASN A 1 41 ? -48.614 4.995 -32.387 1.00 36.41 ? 42 ASN A CA 1 ATOM 296 C C . ASN A 1 41 ? -47.870 6.100 -33.060 1.00 30.78 ? 42 ASN A C 1 ATOM 297 O O . ASN A 1 41 ? -46.830 5.863 -33.547 1.00 32.52 ? 42 ASN A O 1 ATOM 298 C CB . ASN A 1 41 ? -48.172 5.110 -30.893 1.00 34.81 ? 42 ASN A CB 1 ATOM 299 C CG . ASN A 1 41 ? -49.287 4.838 -29.993 1.00 44.39 ? 42 ASN A CG 1 ATOM 300 O OD1 . ASN A 1 41 ? -50.064 3.870 -30.211 1.00 53.37 ? 42 ASN A OD1 1 ATOM 301 N ND2 . ASN A 1 41 ? -49.437 5.675 -28.975 1.00 44.13 ? 42 ASN A ND2 1 ATOM 302 N N . GLU A 1 42 ? -48.312 7.327 -32.913 1.00 29.36 ? 43 GLU A N 1 ATOM 303 C CA . GLU A 1 42 ? -47.532 8.476 -33.281 1.00 30.00 ? 43 GLU A CA 1 ATOM 304 C C . GLU A 1 42 ? -46.482 8.761 -32.212 1.00 27.40 ? 43 GLU A C 1 ATOM 305 O O . GLU A 1 42 ? -46.822 8.964 -31.094 1.00 27.04 ? 43 GLU A O 1 ATOM 306 C CB . GLU A 1 42 ? -48.438 9.704 -33.414 1.00 31.51 ? 43 GLU A CB 1 ATOM 307 C CG . GLU A 1 42 ? -47.952 10.773 -34.350 1.00 41.00 ? 43 GLU A CG 1 ATOM 308 C CD . GLU A 1 42 ? -49.116 11.594 -35.041 1.00 55.78 ? 43 GLU A CD 1 ATOM 309 O OE1 . GLU A 1 42 ? -48.860 12.714 -35.486 1.00 57.95 ? 43 GLU A OE1 1 ATOM 310 O OE2 . GLU A 1 42 ? -50.266 11.103 -35.185 1.00 56.39 ? 43 GLU A OE2 1 ATOM 311 N N . ILE A 1 43 ? -45.225 8.852 -32.607 1.00 26.77 ? 44 ILE A N 1 ATOM 312 C CA . ILE A 1 43 ? -44.155 9.228 -31.665 1.00 26.07 ? 44 ILE A CA 1 ATOM 313 C C . ILE A 1 43 ? -44.343 10.666 -31.155 1.00 27.77 ? 44 ILE A C 1 ATOM 314 O O . ILE A 1 43 ? -44.529 11.603 -31.989 1.00 29.08 ? 44 ILE A O 1 ATOM 315 C CB . ILE A 1 43 ? -42.894 9.095 -32.361 1.00 24.91 ? 44 ILE A CB 1 ATOM 316 C CG1 . ILE A 1 43 ? -42.622 7.555 -32.588 1.00 24.42 ? 44 ILE A CG1 1 ATOM 317 C CG2 . ILE A 1 43 ? -41.751 9.764 -31.581 1.00 27.49 ? 44 ILE A CG2 1 ATOM 318 C CD1 . ILE A 1 43 ? -41.328 7.408 -33.430 1.00 24.45 ? 44 ILE A CD1 1 ATOM 319 N N . LYS A 1 44 ? -44.273 10.878 -29.857 1.00 26.64 ? 45 LYS A N 1 ATOM 320 C CA . LYS A 1 44 ? -44.074 12.273 -29.377 1.00 28.03 ? 45 LYS A CA 1 ATOM 321 C C . LYS A 1 44 ? -42.795 12.456 -28.575 1.00 27.40 ? 45 LYS A C 1 ATOM 322 O O . LYS A 1 44 ? -42.373 11.535 -27.843 1.00 24.61 ? 45 LYS A O 1 ATOM 323 C CB . LYS A 1 44 ? -45.189 12.598 -28.411 1.00 29.13 ? 45 LYS A CB 1 ATOM 324 C CG . LYS A 1 44 ? -46.546 12.427 -29.106 1.00 37.59 ? 45 LYS A CG 1 ATOM 325 C CD . LYS A 1 44 ? -47.715 12.475 -28.116 1.00 47.63 ? 45 LYS A CD 1 ATOM 326 C CE . LYS A 1 44 ? -49.032 12.851 -28.859 1.00 55.16 ? 45 LYS A CE 1 ATOM 327 N NZ . LYS A 1 44 ? -50.186 13.257 -27.918 1.00 60.19 ? 45 LYS A NZ 1 ATOM 328 N N . GLU A 1 45 ? -42.315 13.671 -28.596 1.00 24.97 ? 46 GLU A N 1 ATOM 329 C CA . GLU A 1 45 ? -41.247 14.107 -27.684 1.00 26.75 ? 46 GLU A CA 1 ATOM 330 C C . GLU A 1 45 ? -41.568 13.724 -26.227 1.00 25.72 ? 46 GLU A C 1 ATOM 331 O O . GLU A 1 45 ? -42.685 13.945 -25.734 1.00 26.54 ? 46 GLU A O 1 ATOM 332 C CB . GLU A 1 45 ? -40.998 15.629 -27.796 1.00 28.12 ? 46 GLU A CB 1 ATOM 333 C CG . GLU A 1 45 ? -39.775 16.053 -27.073 1.00 33.83 ? 46 GLU A CG 1 ATOM 334 C CD . GLU A 1 45 ? -39.695 17.571 -26.814 1.00 45.09 ? 46 GLU A CD 1 ATOM 335 O OE1 . GLU A 1 45 ? -40.426 18.133 -25.918 1.00 48.26 ? 46 GLU A OE1 1 ATOM 336 O OE2 . GLU A 1 45 ? -38.808 18.154 -27.443 1.00 42.71 ? 46 GLU A OE2 1 ATOM 337 N N . SER A 1 46 ? -40.592 13.108 -25.491 1.00 21.74 ? 47 SER A N 1 ATOM 338 C CA . SER A 1 46 ? -40.863 12.571 -24.150 1.00 22.18 ? 47 SER A CA 1 ATOM 339 C C . SER A 1 46 ? -39.783 13.066 -23.194 1.00 21.88 ? 47 SER A C 1 ATOM 340 O O . SER A 1 46 ? -38.682 13.314 -23.631 1.00 22.44 ? 47 SER A O 1 ATOM 341 C CB . SER A 1 46 ? -40.823 11.052 -24.245 1.00 22.35 ? 47 SER A CB 1 ATOM 342 O OG . SER A 1 46 ? -41.884 10.575 -25.075 1.00 21.78 ? 47 SER A OG 1 ATOM 343 N N . PRO A 1 47 ? -40.105 13.253 -21.894 1.00 22.39 ? 48 PRO A N 1 ATOM 344 C CA . PRO A 1 47 ? -39.096 13.856 -21.009 1.00 22.97 ? 48 PRO A CA 1 ATOM 345 C C . PRO A 1 47 ? -38.134 12.730 -20.558 1.00 21.77 ? 48 PRO A C 1 ATOM 346 O O . PRO A 1 47 ? -38.537 11.559 -20.520 1.00 21.08 ? 48 PRO A O 1 ATOM 347 C CB . PRO A 1 47 ? -39.885 14.301 -19.764 1.00 24.82 ? 48 PRO A CB 1 ATOM 348 C CG . PRO A 1 47 ? -41.241 13.568 -19.831 1.00 25.56 ? 48 PRO A CG 1 ATOM 349 C CD . PRO A 1 47 ? -41.431 13.105 -21.267 1.00 23.85 ? 48 PRO A CD 1 ATOM 350 N N . LEU A 1 48 ? -36.969 13.137 -20.118 1.00 20.45 ? 49 LEU A N 1 ATOM 351 C CA . LEU A 1 48 ? -36.069 12.175 -19.431 1.00 20.70 ? 49 LEU A CA 1 ATOM 352 C C . LEU A 1 48 ? -35.515 12.879 -18.187 1.00 21.53 ? 49 LEU A C 1 ATOM 353 O O . LEU A 1 48 ? -35.477 14.137 -18.099 1.00 19.93 ? 49 LEU A O 1 ATOM 354 C CB . LEU A 1 48 ? -34.938 11.864 -20.386 1.00 20.59 ? 49 LEU A CB 1 ATOM 355 C CG . LEU A 1 48 ? -33.887 12.940 -20.793 1.00 16.94 ? 49 LEU A CG 1 ATOM 356 C CD1 . LEU A 1 48 ? -32.726 13.081 -19.739 1.00 20.23 ? 49 LEU A CD1 1 ATOM 357 C CD2 . LEU A 1 48 ? -33.203 12.806 -22.119 1.00 19.82 ? 49 LEU A CD2 1 ATOM 358 N N . HIS A 1 49 ? -35.098 12.065 -17.213 1.00 20.04 ? 50 HIS A N 1 ATOM 359 C CA . HIS A 1 49 ? -34.501 12.525 -16.001 1.00 18.75 ? 50 HIS A CA 1 ATOM 360 C C . HIS A 1 49 ? -33.408 11.537 -15.600 1.00 18.64 ? 50 HIS A C 1 ATOM 361 O O . HIS A 1 49 ? -33.618 10.314 -15.675 1.00 17.91 ? 50 HIS A O 1 ATOM 362 C CB . HIS A 1 49 ? -35.550 12.607 -14.857 1.00 21.84 ? 50 HIS A CB 1 ATOM 363 C CG . HIS A 1 49 ? -36.742 13.454 -15.220 1.00 23.40 ? 50 HIS A CG 1 ATOM 364 N ND1 . HIS A 1 49 ? -37.855 12.918 -15.839 1.00 28.20 ? 50 HIS A ND1 1 ATOM 365 C CD2 . HIS A 1 49 ? -36.959 14.797 -15.125 1.00 30.61 ? 50 HIS A CD2 1 ATOM 366 C CE1 . HIS A 1 49 ? -38.713 13.900 -16.099 1.00 30.06 ? 50 HIS A CE1 1 ATOM 367 N NE2 . HIS A 1 49 ? -38.189 15.044 -15.675 1.00 29.36 ? 50 HIS A NE2 1 ATOM 368 N N . GLY A 1 50 ? -32.331 12.084 -15.101 1.00 19.15 ? 51 GLY A N 1 ATOM 369 C CA . GLY A 1 50 ? -31.231 11.185 -14.667 1.00 17.49 ? 51 GLY A CA 1 ATOM 370 C C . GLY A 1 50 ? -30.165 11.905 -13.826 1.00 19.79 ? 51 GLY A C 1 ATOM 371 O O . GLY A 1 50 ? -30.364 13.057 -13.361 1.00 20.96 ? 51 GLY A O 1 ATOM 372 N N . THR A 1 51 ? -29.086 11.185 -13.567 1.00 17.05 ? 52 THR A N 1 ATOM 373 C CA . THR A 1 51 ? -27.945 11.768 -12.783 1.00 17.67 ? 52 THR A CA 1 ATOM 374 C C . THR A 1 51 ? -26.654 11.327 -13.412 1.00 19.00 ? 52 THR A C 1 ATOM 375 O O . THR A 1 51 ? -26.519 10.238 -14.020 1.00 17.74 ? 52 THR A O 1 ATOM 376 C CB . THR A 1 51 ? -27.923 11.293 -11.276 1.00 18.78 ? 52 THR A CB 1 ATOM 377 O OG1 . THR A 1 51 ? -28.029 9.874 -11.243 1.00 19.72 ? 52 THR A OG1 1 ATOM 378 C CG2 . THR A 1 51 ? -29.005 11.882 -10.438 1.00 19.50 ? 52 THR A CG2 1 ATOM 379 N N . GLN A 1 52 ? -25.657 12.174 -13.245 1.00 20.14 ? 53 GLN A N 1 ATOM 380 C CA . GLN A 1 52 ? -24.271 11.837 -13.569 1.00 20.50 ? 53 GLN A CA 1 ATOM 381 C C . GLN A 1 52 ? -23.582 11.585 -12.211 1.00 19.76 ? 53 GLN A C 1 ATOM 382 O O . GLN A 1 52 ? -23.880 12.187 -11.186 1.00 20.23 ? 53 GLN A O 1 ATOM 383 C CB . GLN A 1 52 ? -23.696 13.157 -14.121 1.00 23.11 ? 53 GLN A CB 1 ATOM 384 C CG . GLN A 1 52 ? -22.292 13.205 -14.207 1.00 27.91 ? 53 GLN A CG 1 ATOM 385 C CD . GLN A 1 52 ? -21.814 14.594 -14.658 1.00 26.45 ? 53 GLN A CD 1 ATOM 386 O OE1 . GLN A 1 52 ? -22.435 15.239 -15.495 1.00 30.49 ? 53 GLN A OE1 1 ATOM 387 N NE2 . GLN A 1 52 ? -20.701 14.988 -14.130 1.00 33.97 ? 53 GLN A NE2 1 ATOM 388 N N . ASN A 1 53 ? -22.632 10.682 -12.215 1.00 18.66 ? 54 ASN A N 1 ATOM 389 C CA . ASN A 1 53 ? -21.941 10.299 -10.971 1.00 19.29 ? 54 ASN A CA 1 ATOM 390 C C . ASN A 1 53 ? -20.792 11.337 -10.795 1.00 22.03 ? 54 ASN A C 1 ATOM 391 O O . ASN A 1 53 ? -20.090 11.615 -11.757 1.00 22.99 ? 54 ASN A O 1 ATOM 392 C CB . ASN A 1 53 ? -21.377 8.885 -11.177 1.00 18.74 ? 54 ASN A CB 1 ATOM 393 C CG . ASN A 1 53 ? -20.662 8.366 -9.931 1.00 23.44 ? 54 ASN A CG 1 ATOM 394 O OD1 . ASN A 1 53 ? -21.134 7.417 -9.161 1.00 24.54 ? 54 ASN A OD1 1 ATOM 395 N ND2 . ASN A 1 53 ? -19.576 9.034 -9.647 1.00 16.75 ? 54 ASN A ND2 1 ATOM 396 N N . THR A 1 54 ? -20.590 11.856 -9.584 1.00 24.56 ? 55 THR A N 1 ATOM 397 C CA . THR A 1 54 ? -19.599 12.920 -9.474 1.00 28.93 ? 55 THR A CA 1 ATOM 398 C C . THR A 1 54 ? -18.517 12.519 -8.497 1.00 29.37 ? 55 THR A C 1 ATOM 399 O O . THR A 1 54 ? -17.669 13.335 -8.104 1.00 29.48 ? 55 THR A O 1 ATOM 400 C CB . THR A 1 54 ? -20.247 14.228 -8.999 1.00 30.48 ? 55 THR A CB 1 ATOM 401 O OG1 . THR A 1 54 ? -20.961 13.931 -7.752 1.00 35.33 ? 55 THR A OG1 1 ATOM 402 C CG2 . THR A 1 54 ? -21.161 14.811 -10.122 1.00 32.11 ? 55 THR A CG2 1 ATOM 403 N N . ILE A 1 55 ? -18.523 11.260 -8.103 1.00 25.97 ? 56 ILE A N 1 ATOM 404 C CA . ILE A 1 55 ? -17.481 10.749 -7.188 1.00 28.28 ? 56 ILE A CA 1 ATOM 405 C C . ILE A 1 55 ? -16.103 10.875 -7.849 1.00 29.40 ? 56 ILE A C 1 ATOM 406 O O . ILE A 1 55 ? -15.911 10.447 -8.994 1.00 27.52 ? 56 ILE A O 1 ATOM 407 C CB . ILE A 1 55 ? -17.817 9.221 -6.751 1.00 26.84 ? 56 ILE A CB 1 ATOM 408 C CG1 . ILE A 1 55 ? -19.196 9.170 -6.044 1.00 26.81 ? 56 ILE A CG1 1 ATOM 409 C CG2 . ILE A 1 55 ? -16.727 8.709 -5.810 1.00 30.99 ? 56 ILE A CG2 1 ATOM 410 C CD1 . ILE A 1 55 ? -19.498 10.225 -4.978 1.00 30.44 ? 56 ILE A CD1 1 ATOM 411 N N . ASN A 1 56 ? -15.127 11.455 -7.103 1.00 33.07 ? 57 ASN A N 1 ATOM 412 C CA . ASN A 1 56 ? -13.743 11.717 -7.602 1.00 33.34 ? 57 ASN A CA 1 ATOM 413 C C . ASN A 1 56 ? -13.747 12.730 -8.786 1.00 36.01 ? 57 ASN A C 1 ATOM 414 O O . ASN A 1 56 ? -12.742 12.914 -9.483 1.00 36.94 ? 57 ASN A O 1 ATOM 415 C CB . ASN A 1 56 ? -12.983 10.430 -7.910 1.00 35.12 ? 57 ASN A CB 1 ATOM 416 C CG . ASN A 1 56 ? -12.856 9.529 -6.644 1.00 37.22 ? 57 ASN A CG 1 ATOM 417 O OD1 . ASN A 1 56 ? -12.734 10.075 -5.563 1.00 40.62 ? 57 ASN A OD1 1 ATOM 418 N ND2 . ASN A 1 56 ? -13.016 8.198 -6.771 1.00 35.06 ? 57 ASN A ND2 1 ATOM 419 N N . LYS A 1 57 ? -14.895 13.362 -9.028 1.00 35.07 ? 58 LYS A N 1 ATOM 420 C CA . LYS A 1 57 ? -15.021 14.394 -10.097 1.00 36.18 ? 58 LYS A CA 1 ATOM 421 C C . LYS A 1 57 ? -14.362 13.956 -11.363 1.00 35.15 ? 58 LYS A C 1 ATOM 422 O O . LYS A 1 57 ? -13.618 14.715 -11.957 1.00 34.42 ? 58 LYS A O 1 ATOM 423 C CB . LYS A 1 57 ? -14.370 15.725 -9.687 1.00 36.82 ? 58 LYS A CB 1 ATOM 424 C CG . LYS A 1 57 ? -15.012 16.278 -8.452 1.00 40.05 ? 58 LYS A CG 1 ATOM 425 C CD . LYS A 1 57 ? -14.246 17.414 -7.889 1.00 44.32 ? 58 LYS A CD 1 ATOM 426 C CE . LYS A 1 57 ? -14.623 17.526 -6.417 1.00 53.56 ? 58 LYS A CE 1 ATOM 427 N NZ . LYS A 1 57 ? -16.010 18.066 -6.322 1.00 52.96 ? 58 LYS A NZ 1 ATOM 428 N N . ARG A 1 58 ? -14.682 12.747 -11.831 1.00 33.04 ? 59 ARG A N 1 ATOM 429 C CA . ARG A 1 58 ? -14.105 12.201 -13.059 1.00 32.54 ? 59 ARG A CA 1 ATOM 430 C C . ARG A 1 58 ? -14.446 13.042 -14.300 1.00 32.33 ? 59 ARG A C 1 ATOM 431 O O . ARG A 1 58 ? -15.601 13.472 -14.451 1.00 32.45 ? 59 ARG A O 1 ATOM 432 C CB . ARG A 1 58 ? -14.618 10.754 -13.263 1.00 33.05 ? 59 ARG A CB 1 ATOM 433 C CG . ARG A 1 58 ? -14.135 9.815 -12.131 1.00 34.37 ? 59 ARG A CG 1 ATOM 434 C CD . ARG A 1 58 ? -12.644 9.949 -11.883 1.00 43.90 ? 59 ARG A CD 1 ATOM 435 N NE . ARG A 1 58 ? -11.987 8.891 -12.608 1.00 52.74 ? 59 ARG A NE 1 ATOM 436 C CZ . ARG A 1 58 ? -10.692 8.818 -12.817 1.00 56.17 ? 59 ARG A CZ 1 ATOM 437 N NH1 . ARG A 1 58 ? -10.226 7.803 -13.524 1.00 54.58 ? 59 ARG A NH1 1 ATOM 438 N NH2 . ARG A 1 58 ? -9.878 9.763 -12.319 1.00 58.90 ? 59 ARG A NH2 1 ATOM 439 N N . THR A 1 59 ? -13.454 13.216 -15.189 1.00 32.26 ? 60 THR A N 1 ATOM 440 C CA . THR A 1 59 ? -13.674 13.951 -16.450 1.00 29.75 ? 60 THR A CA 1 ATOM 441 C C . THR A 1 59 ? -14.552 13.182 -17.428 1.00 29.55 ? 60 THR A C 1 ATOM 442 O O . THR A 1 59 ? -15.090 13.779 -18.399 1.00 26.94 ? 60 THR A O 1 ATOM 443 C CB . THR A 1 59 ? -12.329 14.279 -17.213 1.00 30.16 ? 60 THR A CB 1 ATOM 444 O OG1 . THR A 1 59 ? -11.638 13.062 -17.623 1.00 31.10 ? 60 THR A OG1 1 ATOM 445 C CG2 . THR A 1 59 ? -11.447 15.112 -16.346 1.00 32.28 ? 60 THR A CG2 1 ATOM 446 N N . GLN A 1 60 ? -14.657 11.863 -17.218 1.00 23.20 ? 61 GLN A N 1 ATOM 447 C CA . GLN A 1 60 ? -15.439 11.048 -18.114 1.00 23.33 ? 61 GLN A CA 1 ATOM 448 C C . GLN A 1 60 ? -16.499 10.306 -17.248 1.00 20.11 ? 61 GLN A C 1 ATOM 449 O O . GLN A 1 60 ? -16.268 9.156 -16.888 1.00 22.95 ? 61 GLN A O 1 ATOM 450 C CB . GLN A 1 60 ? -14.525 10.025 -18.819 1.00 21.56 ? 61 GLN A CB 1 ATOM 451 C CG . GLN A 1 60 ? -13.625 10.847 -19.942 1.00 23.74 ? 61 GLN A CG 1 ATOM 452 C CD . GLN A 1 60 ? -12.730 9.894 -20.676 1.00 27.31 ? 61 GLN A CD 1 ATOM 453 O OE1 . GLN A 1 60 ? -12.772 9.795 -21.877 1.00 28.62 ? 61 GLN A OE1 1 ATOM 454 N NE2 . GLN A 1 60 ? -11.955 9.117 -19.932 1.00 29.89 ? 61 GLN A NE2 1 ATOM 455 N N . PRO A 1 61 ? -17.541 11.030 -16.803 1.00 21.27 ? 62 PRO A N 1 ATOM 456 C CA . PRO A 1 61 ? -18.319 10.346 -15.762 1.00 19.70 ? 62 PRO A CA 1 ATOM 457 C C . PRO A 1 61 ? -19.293 9.338 -16.315 1.00 20.03 ? 62 PRO A C 1 ATOM 458 O O . PRO A 1 61 ? -19.742 9.482 -17.478 1.00 19.08 ? 62 PRO A O 1 ATOM 459 C CB . PRO A 1 61 ? -19.168 11.474 -15.177 1.00 19.84 ? 62 PRO A CB 1 ATOM 460 C CG . PRO A 1 61 ? -19.335 12.525 -16.378 1.00 21.73 ? 62 PRO A CG 1 ATOM 461 C CD . PRO A 1 61 ? -17.959 12.461 -16.998 1.00 21.74 ? 62 PRO A CD 1 ATOM 462 N N . THR A 1 62 ? -19.632 8.350 -15.481 1.00 19.32 ? 63 THR A N 1 ATOM 463 C CA . THR A 1 62 ? -20.821 7.552 -15.736 1.00 18.51 ? 63 THR A CA 1 ATOM 464 C C . THR A 1 62 ? -22.055 8.301 -15.432 1.00 17.46 ? 63 THR A C 1 ATOM 465 O O . THR A 1 62 ? -22.079 9.294 -14.663 1.00 19.34 ? 63 THR A O 1 ATOM 466 C CB . THR A 1 62 ? -20.807 6.235 -14.855 1.00 15.84 ? 63 THR A CB 1 ATOM 467 O OG1 . THR A 1 62 ? -21.057 6.529 -13.468 1.00 16.96 ? 63 THR A OG1 1 ATOM 468 C CG2 . THR A 1 62 ? -19.519 5.436 -15.053 1.00 15.76 ? 63 THR A CG2 1 ATOM 469 N N . PHE A 1 63 ? -23.172 7.805 -15.991 1.00 17.70 ? 64 PHE A N 1 ATOM 470 C CA . PHE A 1 63 ? -24.468 8.419 -15.739 1.00 16.08 ? 64 PHE A CA 1 ATOM 471 C C . PHE A 1 63 ? -25.561 7.485 -16.120 1.00 15.97 ? 64 PHE A C 1 ATOM 472 O O . PHE A 1 63 ? -25.295 6.416 -16.697 1.00 15.87 ? 64 PHE A O 1 ATOM 473 C CB . PHE A 1 63 ? -24.602 9.697 -16.648 1.00 17.34 ? 64 PHE A CB 1 ATOM 474 C CG . PHE A 1 63 ? -24.579 9.369 -18.114 1.00 17.34 ? 64 PHE A CG 1 ATOM 475 C CD1 . PHE A 1 63 ? -25.761 9.050 -18.779 1.00 20.60 ? 64 PHE A CD1 1 ATOM 476 C CD2 . PHE A 1 63 ? -23.359 9.338 -18.825 1.00 17.62 ? 64 PHE A CD2 1 ATOM 477 C CE1 . PHE A 1 63 ? -25.745 8.688 -20.180 1.00 21.27 ? 64 PHE A CE1 1 ATOM 478 C CE2 . PHE A 1 63 ? -23.317 8.979 -20.202 1.00 18.51 ? 64 PHE A CE2 1 ATOM 479 C CZ . PHE A 1 63 ? -24.525 8.650 -20.886 1.00 20.22 ? 64 PHE A CZ 1 ATOM 480 N N . GLY A 1 64 ? -26.797 7.835 -15.736 1.00 16.15 ? 65 GLY A N 1 ATOM 481 C CA . GLY A 1 64 ? -27.960 7.011 -16.151 1.00 14.43 ? 65 GLY A CA 1 ATOM 482 C C . GLY A 1 64 ? -29.145 7.951 -16.283 1.00 15.06 ? 65 GLY A C 1 ATOM 483 O O . GLY A 1 64 ? -29.226 9.019 -15.660 1.00 15.17 ? 65 GLY A O 1 ATOM 484 N N . PHE A 1 65 ? -30.110 7.542 -17.127 1.00 15.09 ? 66 PHE A N 1 ATOM 485 C CA . PHE A 1 65 ? -31.338 8.334 -17.089 1.00 14.68 ? 66 PHE A CA 1 ATOM 486 C C . PHE A 1 65 ? -32.482 7.476 -17.498 1.00 16.80 ? 66 PHE A C 1 ATOM 487 O O . PHE A 1 65 ? -32.273 6.387 -18.052 1.00 17.17 ? 66 PHE A O 1 ATOM 488 C CB . PHE A 1 65 ? -31.252 9.615 -18.063 1.00 15.31 ? 66 PHE A CB 1 ATOM 489 C CG . PHE A 1 65 ? -30.895 9.347 -19.476 1.00 15.85 ? 66 PHE A CG 1 ATOM 490 C CD1 . PHE A 1 65 ? -31.900 9.127 -20.444 1.00 14.96 ? 66 PHE A CD1 1 ATOM 491 C CD2 . PHE A 1 65 ? -29.591 9.412 -19.910 1.00 18.62 ? 66 PHE A CD2 1 ATOM 492 C CE1 . PHE A 1 65 ? -31.575 8.947 -21.785 1.00 17.70 ? 66 PHE A CE1 1 ATOM 493 C CE2 . PHE A 1 65 ? -29.232 9.190 -21.278 1.00 16.95 ? 66 PHE A CE2 1 ATOM 494 C CZ . PHE A 1 65 ? -30.272 8.925 -22.233 1.00 18.80 ? 66 PHE A CZ 1 ATOM 495 N N . THR A 1 66 ? -33.709 7.963 -17.282 1.00 16.29 ? 67 THR A N 1 ATOM 496 C CA . THR A 1 66 ? -34.949 7.222 -17.571 1.00 15.13 ? 67 THR A CA 1 ATOM 497 C C . THR A 1 66 ? -35.719 8.113 -18.558 1.00 19.42 ? 67 THR A C 1 ATOM 498 O O . THR A 1 66 ? -35.928 9.281 -18.285 1.00 18.08 ? 67 THR A O 1 ATOM 499 C CB . THR A 1 66 ? -35.806 7.085 -16.282 1.00 18.20 ? 67 THR A CB 1 ATOM 500 O OG1 . THR A 1 66 ? -35.078 6.334 -15.317 1.00 16.41 ? 67 THR A OG1 1 ATOM 501 C CG2 . THR A 1 66 ? -37.090 6.340 -16.514 1.00 16.93 ? 67 THR A CG2 1 ATOM 502 N N . VAL A 1 67 ? -36.266 7.498 -19.588 1.00 17.62 ? 68 VAL A N 1 ATOM 503 C CA . VAL A 1 67 ? -37.102 8.243 -20.567 1.00 17.54 ? 68 VAL A CA 1 ATOM 504 C C . VAL A 1 67 ? -38.490 7.795 -20.277 1.00 16.60 ? 68 VAL A C 1 ATOM 505 O O . VAL A 1 67 ? -38.843 6.623 -20.406 1.00 18.08 ? 68 VAL A O 1 ATOM 506 C CB . VAL A 1 67 ? -36.744 7.879 -22.009 1.00 18.74 ? 68 VAL A CB 1 ATOM 507 C CG1 . VAL A 1 67 ? -37.659 8.789 -22.961 1.00 18.58 ? 68 VAL A CG1 1 ATOM 508 C CG2 . VAL A 1 67 ? -35.364 8.296 -22.277 1.00 18.88 ? 68 VAL A CG2 1 ATOM 509 N N . ASN A 1 68 ? -39.337 8.763 -19.950 1.00 20.00 ? 69 ASN A N 1 ATOM 510 C CA . ASN A 1 68 ? -40.710 8.439 -19.661 1.00 20.62 ? 69 ASN A CA 1 ATOM 511 C C . ASN A 1 68 ? -41.626 8.632 -20.892 1.00 22.42 ? 69 ASN A C 1 ATOM 512 O O . ASN A 1 68 ? -42.105 9.789 -21.137 1.00 22.39 ? 69 ASN A O 1 ATOM 513 C CB . ASN A 1 68 ? -41.098 9.471 -18.580 1.00 22.62 ? 69 ASN A CB 1 ATOM 514 C CG . ASN A 1 68 ? -42.517 9.251 -18.043 1.00 24.45 ? 69 ASN A CG 1 ATOM 515 O OD1 . ASN A 1 68 ? -43.133 10.267 -17.547 1.00 34.32 ? 69 ASN A OD1 1 ATOM 516 N ND2 . ASN A 1 68 ? -43.044 8.072 -18.125 1.00 20.54 ? 69 ASN A ND2 1 ATOM 517 N N . TRP A 1 69 ? -41.822 7.568 -21.671 1.00 21.03 ? 70 TRP A N 1 ATOM 518 C CA . TRP A 1 69 ? -42.337 7.788 -23.051 1.00 20.94 ? 70 TRP A CA 1 ATOM 519 C C . TRP A 1 69 ? -43.783 8.353 -22.889 1.00 23.34 ? 70 TRP A C 1 ATOM 520 O O . TRP A 1 69 ? -44.552 7.845 -22.043 1.00 22.73 ? 70 TRP A O 1 ATOM 521 C CB . TRP A 1 69 ? -42.421 6.515 -23.835 1.00 22.21 ? 70 TRP A CB 1 ATOM 522 C CG . TRP A 1 69 ? -41.009 5.944 -24.034 1.00 19.97 ? 70 TRP A CG 1 ATOM 523 C CD1 . TRP A 1 69 ? -40.476 4.785 -23.372 1.00 17.53 ? 70 TRP A CD1 1 ATOM 524 C CD2 . TRP A 1 69 ? -39.955 6.494 -24.802 1.00 22.58 ? 70 TRP A CD2 1 ATOM 525 N NE1 . TRP A 1 69 ? -39.182 4.629 -23.825 1.00 22.44 ? 70 TRP A NE1 1 ATOM 526 C CE2 . TRP A 1 69 ? -38.834 5.634 -24.661 1.00 21.41 ? 70 TRP A CE2 1 ATOM 527 C CE3 . TRP A 1 69 ? -39.841 7.608 -25.690 1.00 21.40 ? 70 TRP A CE3 1 ATOM 528 C CZ2 . TRP A 1 69 ? -37.639 5.895 -25.288 1.00 16.15 ? 70 TRP A CZ2 1 ATOM 529 C CZ3 . TRP A 1 69 ? -38.674 7.858 -26.329 1.00 23.56 ? 70 TRP A CZ3 1 ATOM 530 C CH2 . TRP A 1 69 ? -37.557 6.973 -26.164 1.00 20.54 ? 70 TRP A CH2 1 ATOM 531 N N . LYS A 1 70 ? -44.093 9.323 -23.736 1.00 25.58 ? 71 LYS A N 1 ATOM 532 C CA . LYS A 1 70 ? -45.443 9.906 -23.693 1.00 27.91 ? 71 LYS A CA 1 ATOM 533 C C . LYS A 1 70 ? -46.432 9.333 -24.684 1.00 28.72 ? 71 LYS A C 1 ATOM 534 O O . LYS A 1 70 ? -47.570 9.838 -24.751 1.00 30.74 ? 71 LYS A O 1 ATOM 535 C CB . LYS A 1 70 ? -45.345 11.395 -23.857 1.00 29.84 ? 71 LYS A CB 1 ATOM 536 C CG . LYS A 1 70 ? -44.749 12.046 -22.584 1.00 32.04 ? 71 LYS A CG 1 ATOM 537 C CD . LYS A 1 70 ? -45.766 11.695 -21.437 1.00 37.84 ? 71 LYS A CD 1 ATOM 538 C CE . LYS A 1 70 ? -45.249 11.691 -20.044 1.00 42.62 ? 71 LYS A CE 1 ATOM 539 N NZ . LYS A 1 70 ? -46.357 11.088 -19.073 1.00 35.74 ? 71 LYS A NZ 1 ATOM 540 N N . PHE A 1 71 ? -46.083 8.299 -25.436 1.00 25.05 ? 72 PHE A N 1 ATOM 541 C CA . PHE A 1 71 ? -46.978 7.706 -26.422 1.00 23.71 ? 72 PHE A CA 1 ATOM 542 C C . PHE A 1 71 ? -47.020 6.205 -26.267 1.00 24.61 ? 72 PHE A C 1 ATOM 543 O O . PHE A 1 71 ? -47.485 5.505 -27.129 1.00 25.32 ? 72 PHE A O 1 ATOM 544 C CB . PHE A 1 71 ? -46.497 8.089 -27.820 1.00 24.99 ? 72 PHE A CB 1 ATOM 545 C CG . PHE A 1 71 ? -45.040 7.664 -28.095 1.00 22.17 ? 72 PHE A CG 1 ATOM 546 C CD1 . PHE A 1 71 ? -43.992 8.471 -27.631 1.00 21.14 ? 72 PHE A CD1 1 ATOM 547 C CD2 . PHE A 1 71 ? -44.742 6.417 -28.754 1.00 21.28 ? 72 PHE A CD2 1 ATOM 548 C CE1 . PHE A 1 71 ? -42.651 8.124 -27.815 1.00 21.86 ? 72 PHE A CE1 1 ATOM 549 C CE2 . PHE A 1 71 ? -43.381 6.065 -28.954 1.00 21.43 ? 72 PHE A CE2 1 ATOM 550 C CZ . PHE A 1 71 ? -42.354 6.911 -28.489 1.00 24.82 ? 72 PHE A CZ 1 ATOM 551 N N . SER A 1 72 ? -46.550 5.679 -25.110 1.00 22.77 ? 73 SER A N 1 ATOM 552 C CA . SER A 1 72 ? -46.526 4.262 -24.915 1.00 23.93 ? 73 SER A CA 1 ATOM 553 C C . SER A 1 72 ? -46.594 4.063 -23.429 1.00 23.35 ? 73 SER A C 1 ATOM 554 O O . SER A 1 72 ? -46.237 4.977 -22.720 1.00 23.75 ? 73 SER A O 1 ATOM 555 C CB . SER A 1 72 ? -45.072 3.836 -25.426 1.00 26.86 ? 73 SER A CB 1 ATOM 556 O OG . SER A 1 72 ? -44.700 2.598 -24.949 1.00 31.61 ? 73 SER A OG 1 ATOM 557 N N . GLU A 1 73 ? -46.928 2.868 -22.981 1.00 20.89 ? 74 GLU A N 1 ATOM 558 C CA . GLU A 1 73 ? -46.944 2.484 -21.594 1.00 21.64 ? 74 GLU A CA 1 ATOM 559 C C . GLU A 1 73 ? -45.564 2.001 -21.156 1.00 20.65 ? 74 GLU A C 1 ATOM 560 O O . GLU A 1 73 ? -45.375 1.675 -20.036 1.00 20.83 ? 74 GLU A O 1 ATOM 561 C CB . GLU A 1 73 ? -47.938 1.375 -21.352 1.00 24.25 ? 74 GLU A CB 1 ATOM 562 C CG . GLU A 1 73 ? -49.380 1.849 -21.551 1.00 23.65 ? 74 GLU A CG 1 ATOM 563 C CD . GLU A 1 73 ? -50.411 0.760 -21.593 1.00 38.98 ? 74 GLU A CD 1 ATOM 564 O OE1 . GLU A 1 73 ? -50.094 -0.398 -21.388 1.00 35.62 ? 74 GLU A OE1 1 ATOM 565 O OE2 . GLU A 1 73 ? -51.570 1.097 -21.869 1.00 35.35 ? 74 GLU A OE2 1 ATOM 566 N N . SER A 1 74 ? -44.629 2.002 -22.082 1.00 20.87 ? 75 SER A N 1 ATOM 567 C CA . SER A 1 74 ? -43.186 1.490 -21.799 1.00 19.32 ? 75 SER A CA 1 ATOM 568 C C . SER A 1 74 ? -42.350 2.535 -21.111 1.00 19.13 ? 75 SER A C 1 ATOM 569 O O . SER A 1 74 ? -42.624 3.758 -21.166 1.00 18.92 ? 75 SER A O 1 ATOM 570 C CB . SER A 1 74 ? -42.548 1.168 -23.164 1.00 19.36 ? 75 SER A CB 1 ATOM 571 O OG . SER A 1 74 ? -43.313 0.090 -23.670 1.00 23.22 ? 75 SER A OG 1 ATOM 572 N N . THR A 1 75 ? -41.165 2.082 -20.576 1.00 17.58 ? 76 THR A N 1 ATOM 573 C CA . THR A 1 75 ? -40.155 3.000 -20.021 1.00 16.41 ? 76 THR A CA 1 ATOM 574 C C . THR A 1 75 ? -38.803 2.502 -20.584 1.00 17.00 ? 76 THR A C 1 ATOM 575 O O . THR A 1 75 ? -38.640 1.266 -20.721 1.00 17.67 ? 76 THR A O 1 ATOM 576 C CB . THR A 1 75 ? -40.129 2.867 -18.466 1.00 17.79 ? 76 THR A CB 1 ATOM 577 O OG1 . THR A 1 75 ? -41.348 3.377 -17.952 1.00 17.83 ? 76 THR A OG1 1 ATOM 578 C CG2 . THR A 1 75 ? -39.009 3.743 -17.920 1.00 17.67 ? 76 THR A CG2 1 ATOM 579 N N . THR A 1 76 ? -37.902 3.385 -20.909 1.00 15.71 ? 77 THR A N 1 ATOM 580 C CA . THR A 1 76 ? -36.509 2.941 -21.230 1.00 16.75 ? 77 THR A CA 1 ATOM 581 C C . THR A 1 76 ? -35.557 3.578 -20.227 1.00 16.51 ? 77 THR A C 1 ATOM 582 O O . THR A 1 76 ? -35.689 4.779 -19.878 1.00 18.97 ? 77 THR A O 1 ATOM 583 C CB . THR A 1 76 ? -36.085 3.391 -22.681 1.00 17.00 ? 77 THR A CB 1 ATOM 584 O OG1 . THR A 1 76 ? -36.987 2.784 -23.606 1.00 15.60 ? 77 THR A OG1 1 ATOM 585 C CG2 . THR A 1 76 ? -34.751 2.770 -23.010 1.00 16.93 ? 77 THR A CG2 1 ATOM 586 N N . VAL A 1 77 ? -34.534 2.816 -19.750 1.00 15.32 ? 78 VAL A N 1 ATOM 587 C CA . VAL A 1 77 ? -33.448 3.477 -19.104 1.00 15.38 ? 78 VAL A CA 1 ATOM 588 C C . VAL A 1 77 ? -32.193 3.273 -19.843 1.00 15.25 ? 78 VAL A C 1 ATOM 589 O O . VAL A 1 77 ? -32.003 2.241 -20.539 1.00 15.04 ? 78 VAL A O 1 ATOM 590 C CB . VAL A 1 77 ? -33.208 2.773 -17.680 1.00 14.21 ? 78 VAL A CB 1 ATOM 591 C CG1 . VAL A 1 77 ? -34.453 3.164 -16.755 1.00 17.26 ? 78 VAL A CG1 1 ATOM 592 C CG2 . VAL A 1 77 ? -33.183 1.218 -17.694 1.00 13.90 ? 78 VAL A CG2 1 ATOM 593 N N . PHE A 1 78 ? -31.301 4.251 -19.702 1.00 16.07 ? 79 PHE A N 1 ATOM 594 C CA . PHE A 1 78 ? -30.022 4.216 -20.425 1.00 16.21 ? 79 PHE A CA 1 ATOM 595 C C . PHE A 1 78 ? -28.954 4.411 -19.324 1.00 17.22 ? 79 PHE A C 1 ATOM 596 O O . PHE A 1 78 ? -29.087 5.252 -18.422 1.00 16.56 ? 79 PHE A O 1 ATOM 597 C CB . PHE A 1 78 ? -29.832 5.444 -21.356 1.00 17.70 ? 79 PHE A CB 1 ATOM 598 C CG . PHE A 1 78 ? -30.743 5.394 -22.622 1.00 14.54 ? 79 PHE A CG 1 ATOM 599 C CD1 . PHE A 1 78 ? -32.096 5.633 -22.534 1.00 21.15 ? 79 PHE A CD1 1 ATOM 600 C CD2 . PHE A 1 78 ? -30.196 4.955 -23.837 1.00 20.20 ? 79 PHE A CD2 1 ATOM 601 C CE1 . PHE A 1 78 ? -32.897 5.601 -23.722 1.00 19.84 ? 79 PHE A CE1 1 ATOM 602 C CE2 . PHE A 1 78 ? -30.950 4.824 -24.991 1.00 21.36 ? 79 PHE A CE2 1 ATOM 603 C CZ . PHE A 1 78 ? -32.324 5.157 -24.960 1.00 19.92 ? 79 PHE A CZ 1 ATOM 604 N N . THR A 1 79 ? -27.816 3.779 -19.563 1.00 15.76 ? 80 THR A N 1 ATOM 605 C CA . THR A 1 79 ? -26.644 4.090 -18.637 1.00 14.84 ? 80 THR A CA 1 ATOM 606 C C . THR A 1 79 ? -25.365 3.975 -19.416 1.00 15.32 ? 80 THR A C 1 ATOM 607 O O . THR A 1 79 ? -25.218 3.129 -20.310 1.00 17.11 ? 80 THR A O 1 ATOM 608 C CB . THR A 1 79 ? -26.654 3.218 -17.331 1.00 16.73 ? 80 THR A CB 1 ATOM 609 O OG1 . THR A 1 79 ? -25.630 3.640 -16.422 1.00 16.98 ? 80 THR A OG1 1 ATOM 610 C CG2 . THR A 1 79 ? -26.333 1.691 -17.668 1.00 15.27 ? 80 THR A CG2 1 ATOM 611 N N . GLY A 1 80 ? -24.374 4.764 -19.065 1.00 15.44 ? 81 GLY A N 1 ATOM 612 C CA . GLY A 1 80 ? -23.149 4.756 -19.906 1.00 16.81 ? 81 GLY A CA 1 ATOM 613 C C . GLY A 1 80 ? -22.108 5.705 -19.356 1.00 14.61 ? 81 GLY A C 1 ATOM 614 O O . GLY A 1 80 ? -22.184 6.080 -18.172 1.00 14.49 ? 81 GLY A O 1 ATOM 615 N N . GLN A 1 81 ? -21.206 6.118 -20.223 1.00 16.67 ? 82 GLN A N 1 ATOM 616 C CA . GLN A 1 81 ? -20.109 6.967 -19.821 1.00 15.56 ? 82 GLN A CA 1 ATOM 617 C C . GLN A 1 81 ? -19.918 8.029 -20.929 1.00 16.57 ? 82 GLN A C 1 ATOM 618 O O . GLN A 1 81 ? -20.117 7.771 -22.120 1.00 18.77 ? 82 GLN A O 1 ATOM 619 C CB . GLN A 1 81 ? -18.834 6.088 -19.478 1.00 18.42 ? 82 GLN A CB 1 ATOM 620 C CG . GLN A 1 81 ? -17.730 6.843 -18.906 1.00 21.17 ? 82 GLN A CG 1 ATOM 621 C CD . GLN A 1 81 ? -16.631 5.949 -18.304 1.00 20.04 ? 82 GLN A CD 1 ATOM 622 O OE1 . GLN A 1 81 ? -16.737 4.671 -18.276 1.00 21.82 ? 82 GLN A OE1 1 ATOM 623 N NE2 . GLN A 1 81 ? -15.534 6.607 -17.884 1.00 22.09 ? 82 GLN A NE2 1 ATOM 624 N N . CYS A 1 82 ? -19.623 9.230 -20.472 1.00 18.02 ? 83 CYS A N 1 ATOM 625 C CA . CYS A 1 82 ? -19.376 10.416 -21.356 1.00 19.15 ? 83 CYS A CA 1 ATOM 626 C C . CYS A 1 82 ? -17.844 10.383 -21.607 1.00 21.86 ? 83 CYS A C 1 ATOM 627 O O . CYS A 1 82 ? -17.083 10.666 -20.682 1.00 21.38 ? 83 CYS A O 1 ATOM 628 C CB . CYS A 1 82 ? -19.743 11.640 -20.461 1.00 21.91 ? 83 CYS A CB 1 ATOM 629 S SG . CYS A 1 82 ? -19.863 13.164 -21.556 1.00 31.29 ? 83 CYS A SG 1 ATOM 630 N N . PHE A 1 83 ? -17.394 10.006 -22.821 1.00 19.62 ? 84 PHE A N 1 ATOM 631 C CA . PHE A 1 83 ? -15.976 9.831 -23.100 1.00 21.32 ? 84 PHE A CA 1 ATOM 632 C C . PHE A 1 83 ? -15.537 10.976 -23.993 1.00 20.46 ? 84 PHE A C 1 ATOM 633 O O . PHE A 1 83 ? -16.298 11.439 -24.784 1.00 19.29 ? 84 PHE A O 1 ATOM 634 C CB . PHE A 1 83 ? -15.703 8.553 -23.937 1.00 18.88 ? 84 PHE A CB 1 ATOM 635 C CG . PHE A 1 83 ? -15.761 7.218 -23.115 1.00 17.48 ? 84 PHE A CG 1 ATOM 636 C CD1 . PHE A 1 83 ? -16.847 6.332 -23.263 1.00 18.81 ? 84 PHE A CD1 1 ATOM 637 C CD2 . PHE A 1 83 ? -14.693 6.893 -22.252 1.00 24.20 ? 84 PHE A CD2 1 ATOM 638 C CE1 . PHE A 1 83 ? -16.894 5.132 -22.526 1.00 17.85 ? 84 PHE A CE1 1 ATOM 639 C CE2 . PHE A 1 83 ? -14.755 5.712 -21.496 1.00 23.81 ? 84 PHE A CE2 1 ATOM 640 C CZ . PHE A 1 83 ? -15.824 4.855 -21.695 1.00 20.63 ? 84 PHE A CZ 1 ATOM 641 N N . ILE A 1 84 ? -14.258 11.295 -23.886 1.00 22.49 ? 85 ILE A N 1 ATOM 642 C CA . ILE A 1 84 ? -13.581 11.897 -25.059 1.00 23.50 ? 85 ILE A CA 1 ATOM 643 C C . ILE A 1 84 ? -13.070 10.793 -26.002 1.00 21.47 ? 85 ILE A C 1 ATOM 644 O O . ILE A 1 84 ? -12.260 9.880 -25.632 1.00 22.25 ? 85 ILE A O 1 ATOM 645 C CB . ILE A 1 84 ? -12.459 12.829 -24.584 1.00 22.69 ? 85 ILE A CB 1 ATOM 646 C CG1 . ILE A 1 84 ? -12.982 13.879 -23.546 1.00 24.14 ? 85 ILE A CG1 1 ATOM 647 C CG2 . ILE A 1 84 ? -11.869 13.486 -25.895 1.00 24.34 ? 85 ILE A CG2 1 ATOM 648 C CD1 . ILE A 1 84 ? -14.170 14.759 -24.119 1.00 20.45 ? 85 ILE A CD1 1 ATOM 649 N N . ASP A 1 85 ? -13.582 10.782 -27.220 1.00 22.96 ? 86 ASP A N 1 ATOM 650 C CA . ASP A 1 85 ? -13.266 9.732 -28.125 1.00 23.54 ? 86 ASP A CA 1 ATOM 651 C C . ASP A 1 85 ? -11.812 9.934 -28.662 1.00 25.36 ? 86 ASP A C 1 ATOM 652 O O . ASP A 1 85 ? -11.211 10.990 -28.419 1.00 24.11 ? 86 ASP A O 1 ATOM 653 C CB . ASP A 1 85 ? -14.216 9.749 -29.287 1.00 24.27 ? 86 ASP A CB 1 ATOM 654 C CG . ASP A 1 85 ? -14.420 8.375 -29.904 1.00 24.88 ? 86 ASP A CG 1 ATOM 655 O OD1 . ASP A 1 85 ? -15.405 8.311 -30.633 1.00 29.56 ? 86 ASP A OD1 1 ATOM 656 O OD2 . ASP A 1 85 ? -13.571 7.461 -29.756 1.00 28.84 ? 86 ASP A OD2 1 ATOM 657 N N . ARG A 1 86 ? -11.323 8.949 -29.430 1.00 24.89 ? 87 ARG A N 1 ATOM 658 C CA . ARG A 1 86 ? -9.990 8.966 -29.987 1.00 26.68 ? 87 ARG A CA 1 ATOM 659 C C . ARG A 1 86 ? -9.813 10.235 -30.824 1.00 24.36 ? 87 ARG A C 1 ATOM 660 O O . ARG A 1 86 ? -8.675 10.732 -30.814 1.00 26.97 ? 87 ARG A O 1 ATOM 661 C CB . ARG A 1 86 ? -9.728 7.720 -30.888 1.00 28.57 ? 87 ARG A CB 1 ATOM 662 C CG . ARG A 1 86 ? -9.978 6.485 -30.096 1.00 36.66 ? 87 ARG A CG 1 ATOM 663 C CD . ARG A 1 86 ? -9.410 5.229 -30.713 1.00 47.10 ? 87 ARG A CD 1 ATOM 664 N NE . ARG A 1 86 ? -9.004 4.418 -29.544 1.00 54.15 ? 87 ARG A NE 1 ATOM 665 C CZ . ARG A 1 86 ? -9.620 3.325 -29.079 1.00 57.84 ? 87 ARG A CZ 1 ATOM 666 N NH1 . ARG A 1 86 ? -10.707 2.826 -29.685 1.00 60.65 ? 87 ARG A NH1 1 ATOM 667 N NH2 . ARG A 1 86 ? -9.127 2.710 -27.997 1.00 56.02 ? 87 ARG A NH2 1 ATOM 668 N N . ASN A 1 87 ? -10.885 10.683 -31.506 1.00 24.04 ? 88 ASN A N 1 ATOM 669 C CA . ASN A 1 87 ? -10.781 11.901 -32.371 1.00 24.45 ? 88 ASN A CA 1 ATOM 670 C C . ASN A 1 87 ? -11.023 13.227 -31.584 1.00 23.55 ? 88 ASN A C 1 ATOM 671 O O . ASN A 1 87 ? -11.109 14.308 -32.181 1.00 24.96 ? 88 ASN A O 1 ATOM 672 C CB . ASN A 1 87 ? -11.643 11.791 -33.548 1.00 23.84 ? 88 ASN A CB 1 ATOM 673 C CG . ASN A 1 87 ? -13.090 11.792 -33.248 1.00 27.11 ? 88 ASN A CG 1 ATOM 674 O OD1 . ASN A 1 87 ? -13.930 11.674 -34.160 1.00 31.33 ? 88 ASN A OD1 1 ATOM 675 N ND2 . ASN A 1 87 ? -13.438 12.037 -31.971 1.00 21.06 ? 88 ASN A ND2 1 ATOM 676 N N . GLY A 1 88 ? -11.100 13.118 -30.246 1.00 22.48 ? 89 GLY A N 1 ATOM 677 C CA . GLY A 1 88 ? -11.273 14.318 -29.367 1.00 21.04 ? 89 GLY A CA 1 ATOM 678 C C . GLY A 1 88 ? -12.652 14.838 -29.206 1.00 24.59 ? 89 GLY A C 1 ATOM 679 O O . GLY A 1 88 ? -12.839 15.866 -28.513 1.00 25.16 ? 89 GLY A O 1 ATOM 680 N N . LYS A 1 89 ? -13.647 14.189 -29.818 1.00 21.21 ? 90 LYS A N 1 ATOM 681 C CA . LYS A 1 89 ? -15.003 14.636 -29.729 1.00 22.58 ? 90 LYS A CA 1 ATOM 682 C C . LYS A 1 89 ? -15.622 13.976 -28.458 1.00 23.59 ? 90 LYS A C 1 ATOM 683 O O . LYS A 1 89 ? -15.225 12.843 -28.095 1.00 21.59 ? 90 LYS A O 1 ATOM 684 C CB . LYS A 1 89 ? -15.820 14.058 -30.873 1.00 24.28 ? 90 LYS A CB 1 ATOM 685 C CG . LYS A 1 89 ? -15.535 14.540 -32.324 1.00 31.11 ? 90 LYS A CG 1 ATOM 686 C CD . LYS A 1 89 ? -16.211 15.799 -32.543 1.00 25.80 ? 90 LYS A CD 1 ATOM 687 C CE . LYS A 1 89 ? -17.655 15.546 -32.994 1.00 31.56 ? 90 LYS A CE 1 ATOM 688 N NZ . LYS A 1 89 ? -18.166 16.934 -32.957 1.00 32.73 ? 90 LYS A NZ 1 ATOM 689 N N . GLU A 1 90 ? -16.621 14.652 -27.903 1.00 22.88 ? 91 GLU A N 1 ATOM 690 C CA . GLU A 1 90 ? -17.398 13.947 -26.823 1.00 21.08 ? 91 GLU A CA 1 ATOM 691 C C . GLU A 1 90 ? -18.220 12.879 -27.458 1.00 21.39 ? 91 GLU A C 1 ATOM 692 O O . GLU A 1 90 ? -18.768 13.057 -28.516 1.00 22.65 ? 91 GLU A O 1 ATOM 693 C CB . GLU A 1 90 ? -18.314 15.007 -26.166 1.00 21.37 ? 91 GLU A CB 1 ATOM 694 C CG . GLU A 1 90 ? -17.568 16.024 -25.388 1.00 24.30 ? 91 GLU A CG 1 ATOM 695 C CD . GLU A 1 90 ? -18.505 16.617 -24.328 1.00 34.96 ? 91 GLU A CD 1 ATOM 696 O OE1 . GLU A 1 90 ? -19.612 16.004 -24.170 1.00 42.03 ? 91 GLU A OE1 1 ATOM 697 O OE2 . GLU A 1 90 ? -18.185 17.543 -23.587 1.00 29.51 ? 91 GLU A OE2 1 ATOM 698 N N . VAL A 1 91 ? -18.420 11.712 -26.775 1.00 19.03 ? 92 VAL A N 1 ATOM 699 C CA . VAL A 1 91 ? -19.355 10.739 -27.281 1.00 18.68 ? 92 VAL A CA 1 ATOM 700 C C . VAL A 1 91 ? -19.985 10.099 -26.029 1.00 19.35 ? 92 VAL A C 1 ATOM 701 O O . VAL A 1 91 ? -19.256 9.901 -25.015 1.00 19.95 ? 92 VAL A O 1 ATOM 702 C CB . VAL A 1 91 ? -18.591 9.630 -28.142 1.00 18.90 ? 92 VAL A CB 1 ATOM 703 C CG1 . VAL A 1 91 ? -17.457 8.973 -27.332 1.00 21.11 ? 92 VAL A CG1 1 ATOM 704 C CG2 . VAL A 1 91 ? -19.432 8.558 -28.618 1.00 22.64 ? 92 VAL A CG2 1 ATOM 705 N N . LEU A 1 92 ? -21.265 9.754 -26.105 1.00 17.83 ? 93 LEU A N 1 ATOM 706 C CA . LEU A 1 92 ? -21.862 9.068 -24.980 1.00 18.96 ? 93 LEU A CA 1 ATOM 707 C C . LEU A 1 92 ? -21.993 7.619 -25.436 1.00 16.98 ? 93 LEU A C 1 ATOM 708 O O . LEU A 1 92 ? -22.619 7.300 -26.509 1.00 18.45 ? 93 LEU A O 1 ATOM 709 C CB . LEU A 1 92 ? -23.276 9.579 -24.655 1.00 16.88 ? 93 LEU A CB 1 ATOM 710 C CG . LEU A 1 92 ? -23.449 11.087 -24.408 1.00 18.75 ? 93 LEU A CG 1 ATOM 711 C CD1 . LEU A 1 92 ? -24.993 11.500 -24.103 1.00 19.10 ? 93 LEU A CD1 1 ATOM 712 C CD2 . LEU A 1 92 ? -22.453 11.521 -23.339 1.00 21.79 ? 93 LEU A CD2 1 ATOM 713 N N . LYS A 1 93 ? -21.366 6.710 -24.678 1.00 19.16 ? 94 LYS A N 1 ATOM 714 C CA . LYS A 1 93 ? -21.532 5.314 -25.052 1.00 19.92 ? 94 LYS A CA 1 ATOM 715 C C . LYS A 1 93 ? -22.494 4.721 -24.002 1.00 18.82 ? 94 LYS A C 1 ATOM 716 O O . LYS A 1 93 ? -22.198 4.823 -22.860 1.00 16.91 ? 94 LYS A O 1 ATOM 717 C CB . LYS A 1 93 ? -20.240 4.550 -24.983 1.00 20.08 ? 94 LYS A CB 1 ATOM 718 C CG . LYS A 1 93 ? -19.156 5.183 -25.994 1.00 25.70 ? 94 LYS A CG 1 ATOM 719 C CD . LYS A 1 93 ? -18.248 4.179 -26.522 1.00 37.12 ? 94 LYS A CD 1 ATOM 720 C CE . LYS A 1 93 ? -18.993 3.382 -27.448 1.00 35.41 ? 94 LYS A CE 1 ATOM 721 N NZ . LYS A 1 93 ? -18.295 2.067 -27.578 1.00 38.61 ? 94 LYS A NZ 1 ATOM 722 N N . THR A 1 94 ? -23.672 4.209 -24.433 1.00 18.07 ? 95 THR A N 1 ATOM 723 C CA . THR A 1 94 ? -24.661 3.751 -23.432 1.00 18.15 ? 95 THR A CA 1 ATOM 724 C C . THR A 1 94 ? -25.211 2.410 -23.824 1.00 19.07 ? 95 THR A C 1 ATOM 725 O O . THR A 1 94 ? -25.062 1.953 -25.015 1.00 17.40 ? 95 THR A O 1 ATOM 726 C CB . THR A 1 94 ? -25.919 4.760 -23.336 1.00 19.84 ? 95 THR A CB 1 ATOM 727 O OG1 . THR A 1 94 ? -26.674 4.668 -24.557 1.00 19.04 ? 95 THR A OG1 1 ATOM 728 C CG2 . THR A 1 94 ? -25.385 6.124 -23.236 1.00 21.91 ? 95 THR A CG2 1 ATOM 729 N N . MET A 1 95 ? -25.766 1.772 -22.806 1.00 15.78 ? 96 MET A N 1 ATOM 730 C CA . MET A 1 95 ? -26.635 0.594 -22.996 1.00 14.82 ? 96 MET A CA 1 ATOM 731 C C . MET A 1 95 ? -27.996 0.947 -22.385 1.00 15.73 ? 96 MET A C 1 ATOM 732 O O . MET A 1 95 ? -28.153 1.824 -21.488 1.00 15.90 ? 96 MET A O 1 ATOM 733 C CB . MET A 1 95 ? -26.022 -0.734 -22.371 1.00 15.31 ? 96 MET A CB 1 ATOM 734 C CG . MET A 1 95 ? -24.626 -0.948 -23.081 1.00 19.34 ? 96 MET A CG 1 ATOM 735 S SD . MET A 1 95 ? -24.276 -2.724 -22.904 1.00 21.40 ? 96 MET A SD 1 ATOM 736 C CE . MET A 1 95 ? -25.660 -3.499 -23.837 1.00 18.49 ? 96 MET A CE 1 ATOM 737 N N . TRP A 1 96 ? -29.003 0.250 -22.901 1.00 15.58 ? 97 TRP A N 1 ATOM 738 C CA . TRP A 1 96 ? -30.393 0.495 -22.459 1.00 15.57 ? 97 TRP A CA 1 ATOM 739 C C . TRP A 1 96 ? -31.180 -0.738 -22.234 1.00 13.52 ? 97 TRP A C 1 ATOM 740 O O . TRP A 1 96 ? -30.885 -1.832 -22.795 1.00 14.69 ? 97 TRP A O 1 ATOM 741 C CB . TRP A 1 96 ? -31.121 1.490 -23.509 1.00 14.36 ? 97 TRP A CB 1 ATOM 742 C CG . TRP A 1 96 ? -31.074 1.030 -24.920 1.00 15.62 ? 97 TRP A CG 1 ATOM 743 C CD1 . TRP A 1 96 ? -30.182 1.373 -25.872 1.00 16.94 ? 97 TRP A CD1 1 ATOM 744 C CD2 . TRP A 1 96 ? -31.961 0.055 -25.512 1.00 14.37 ? 97 TRP A CD2 1 ATOM 745 N NE1 . TRP A 1 96 ? -30.498 0.719 -27.067 1.00 15.89 ? 97 TRP A NE1 1 ATOM 746 C CE2 . TRP A 1 96 ? -31.586 -0.065 -26.873 1.00 16.24 ? 97 TRP A CE2 1 ATOM 747 C CE3 . TRP A 1 96 ? -33.052 -0.697 -25.015 1.00 16.30 ? 97 TRP A CE3 1 ATOM 748 C CZ2 . TRP A 1 96 ? -32.219 -0.941 -27.751 1.00 16.11 ? 97 TRP A CZ2 1 ATOM 749 C CZ3 . TRP A 1 96 ? -33.745 -1.565 -25.913 1.00 13.58 ? 97 TRP A CZ3 1 ATOM 750 C CH2 . TRP A 1 96 ? -33.291 -1.689 -27.285 1.00 17.07 ? 97 TRP A CH2 1 ATOM 751 N N . LEU A 1 97 ? -32.184 -0.632 -21.407 1.00 13.23 ? 98 LEU A N 1 ATOM 752 C CA . LEU A 1 97 ? -33.286 -1.627 -21.243 1.00 14.46 ? 98 LEU A CA 1 ATOM 753 C C . LEU A 1 97 ? -34.581 -0.886 -21.549 1.00 15.49 ? 98 LEU A C 1 ATOM 754 O O . LEU A 1 97 ? -34.919 0.180 -20.945 1.00 16.22 ? 98 LEU A O 1 ATOM 755 C CB . LEU A 1 97 ? -33.316 -2.179 -19.797 1.00 13.55 ? 98 LEU A CB 1 ATOM 756 C CG . LEU A 1 97 ? -31.987 -2.840 -19.386 1.00 14.65 ? 98 LEU A CG 1 ATOM 757 C CD1 . LEU A 1 97 ? -32.192 -3.153 -17.848 1.00 11.93 ? 98 LEU A CD1 1 ATOM 758 C CD2 . LEU A 1 97 ? -31.753 -4.153 -20.157 1.00 15.50 ? 98 LEU A CD2 1 ATOM 759 N N . LEU A 1 98 ? -35.391 -1.514 -22.465 1.00 14.41 ? 99 LEU A N 1 ATOM 760 C CA . LEU A 1 98 ? -36.747 -1.021 -22.743 1.00 15.63 ? 99 LEU A CA 1 ATOM 761 C C . LEU A 1 98 ? -37.688 -1.971 -22.135 1.00 15.92 ? 99 LEU A C 1 ATOM 762 O O . LEU A 1 98 ? -37.786 -3.182 -22.520 1.00 18.51 ? 99 LEU A O 1 ATOM 763 C CB . LEU A 1 98 ? -36.935 -0.950 -24.275 1.00 16.03 ? 99 LEU A CB 1 ATOM 764 C CG . LEU A 1 98 ? -38.379 -0.852 -24.810 1.00 19.30 ? 99 LEU A CG 1 ATOM 765 C CD1 . LEU A 1 98 ? -39.080 0.237 -24.304 1.00 21.17 ? 99 LEU A CD1 1 ATOM 766 C CD2 . LEU A 1 98 ? -38.128 -0.568 -26.311 1.00 20.49 ? 99 LEU A CD2 1 ATOM 767 N N . ARG A 1 99 ? -38.456 -1.483 -21.139 1.00 15.42 ? 100 ARG A N 1 ATOM 768 C CA . ARG A 1 99 ? -39.392 -2.321 -20.450 1.00 16.89 ? 100 ARG A CA 1 ATOM 769 C C . ARG A 1 99 ? -40.795 -2.081 -21.082 1.00 18.56 ? 100 ARG A C 1 ATOM 770 O O . ARG A 1 99 ? -41.292 -0.931 -21.013 1.00 19.21 ? 100 ARG A O 1 ATOM 771 C CB . ARG A 1 99 ? -39.482 -1.864 -18.997 1.00 16.51 ? 100 ARG A CB 1 ATOM 772 C CG . ARG A 1 99 ? -40.672 -2.524 -18.296 1.00 16.33 ? 100 ARG A CG 1 ATOM 773 C CD . ARG A 1 99 ? -40.476 -4.005 -18.119 1.00 16.83 ? 100 ARG A CD 1 ATOM 774 N NE . ARG A 1 99 ? -41.666 -4.655 -17.671 1.00 15.51 ? 100 ARG A NE 1 ATOM 775 C CZ . ARG A 1 99 ? -41.684 -5.783 -16.965 1.00 19.39 ? 100 ARG A CZ 1 ATOM 776 N NH1 . ARG A 1 99 ? -40.542 -6.320 -16.438 1.00 18.84 ? 100 ARG A NH1 1 ATOM 777 N NH2 . ARG A 1 99 ? -42.862 -6.389 -16.744 1.00 20.89 ? 100 ARG A NH2 1 ATOM 778 N N . SER A 1 100 ? -41.373 -3.127 -21.668 1.00 19.58 ? 101 SER A N 1 ATOM 779 C CA . SER A 1 100 ? -42.800 -3.068 -22.091 1.00 22.69 ? 101 SER A CA 1 ATOM 780 C C . SER A 1 100 ? -43.723 -3.400 -20.935 1.00 22.96 ? 101 SER A C 1 ATOM 781 O O . SER A 1 100 ? -43.414 -4.151 -19.955 1.00 20.43 ? 101 SER A O 1 ATOM 782 C CB . SER A 1 100 ? -42.963 -4.126 -23.253 1.00 21.56 ? 101 SER A CB 1 ATOM 783 O OG . SER A 1 100 ? -42.148 -3.677 -24.310 1.00 25.94 ? 101 SER A OG 1 ATOM 784 N N . SER A 1 101 ? -44.979 -2.894 -21.048 1.00 21.62 ? 102 SER A N 1 ATOM 785 C CA . SER A 1 101 ? -46.002 -3.287 -20.135 1.00 22.85 ? 102 SER A CA 1 ATOM 786 C C . SER A 1 101 ? -46.633 -4.636 -20.549 1.00 25.06 ? 102 SER A C 1 ATOM 787 O O . SER A 1 101 ? -47.064 -4.816 -21.710 1.00 25.87 ? 102 SER A O 1 ATOM 788 C CB . SER A 1 101 ? -47.123 -2.165 -20.102 1.00 25.67 ? 102 SER A CB 1 ATOM 789 O OG . SER A 1 101 ? -48.242 -2.696 -19.339 1.00 24.27 ? 102 SER A OG 1 ATOM 790 N N . VAL A 1 102 ? -46.699 -5.554 -19.640 1.00 22.88 ? 103 VAL A N 1 ATOM 791 C CA . VAL A 1 102 ? -47.463 -6.788 -19.851 1.00 26.64 ? 103 VAL A CA 1 ATOM 792 C C . VAL A 1 102 ? -48.686 -6.820 -18.932 1.00 29.21 ? 103 VAL A C 1 ATOM 793 O O . VAL A 1 102 ? -48.748 -6.120 -17.920 1.00 28.00 ? 103 VAL A O 1 ATOM 794 C CB . VAL A 1 102 ? -46.591 -8.041 -19.726 1.00 25.10 ? 103 VAL A CB 1 ATOM 795 C CG1 . VAL A 1 102 ? -45.543 -7.974 -20.834 1.00 25.66 ? 103 VAL A CG1 1 ATOM 796 C CG2 . VAL A 1 102 ? -46.020 -8.283 -18.223 1.00 23.27 ? 103 VAL A CG2 1 ATOM 797 N N . ASN A 1 103 ? -49.692 -7.622 -19.306 1.00 32.44 ? 104 ASN A N 1 ATOM 798 C CA . ASN A 1 103 ? -50.925 -7.687 -18.522 1.00 36.64 ? 104 ASN A CA 1 ATOM 799 C C . ASN A 1 103 ? -50.886 -8.588 -17.362 1.00 37.56 ? 104 ASN A C 1 ATOM 800 O O . ASN A 1 103 ? -51.608 -8.342 -16.392 1.00 37.62 ? 104 ASN A O 1 ATOM 801 C CB . ASN A 1 103 ? -52.136 -8.145 -19.377 1.00 39.09 ? 104 ASN A CB 1 ATOM 802 C CG . ASN A 1 103 ? -52.282 -7.340 -20.616 1.00 46.60 ? 104 ASN A CG 1 ATOM 803 O OD1 . ASN A 1 103 ? -52.426 -6.085 -20.563 1.00 52.08 ? 104 ASN A OD1 1 ATOM 804 N ND2 . ASN A 1 103 ? -52.209 -8.022 -21.773 1.00 52.11 ? 104 ASN A ND2 1 ATOM 805 N N . ASP A 1 104 ? -50.033 -9.593 -17.393 1.00 34.30 ? 105 ASP A N 1 ATOM 806 C CA . ASP A 1 104 ? -50.032 -10.709 -16.466 1.00 34.93 ? 105 ASP A CA 1 ATOM 807 C C . ASP A 1 104 ? -48.580 -10.932 -16.001 1.00 34.37 ? 105 ASP A C 1 ATOM 808 O O . ASP A 1 104 ? -47.689 -10.853 -16.781 1.00 32.98 ? 105 ASP A O 1 ATOM 809 C CB . ASP A 1 104 ? -50.616 -11.907 -17.260 1.00 36.87 ? 105 ASP A CB 1 ATOM 810 C CG . ASP A 1 104 ? -50.493 -13.265 -16.588 1.00 45.37 ? 105 ASP A CG 1 ATOM 811 O OD1 . ASP A 1 104 ? -50.919 -14.228 -17.267 1.00 60.26 ? 105 ASP A OD1 1 ATOM 812 O OD2 . ASP A 1 104 ? -50.027 -13.463 -15.458 1.00 54.55 ? 105 ASP A OD2 1 ATOM 813 N N . ILE A 1 105 ? -48.365 -11.187 -14.722 1.00 31.45 ? 106 ILE A N 1 ATOM 814 C CA . ILE A 1 105 ? -47.046 -11.389 -14.195 1.00 30.96 ? 106 ILE A CA 1 ATOM 815 C C . ILE A 1 105 ? -46.361 -12.633 -14.814 1.00 31.32 ? 106 ILE A C 1 ATOM 816 O O . ILE A 1 105 ? -45.132 -12.689 -14.932 1.00 28.67 ? 106 ILE A O 1 ATOM 817 C CB . ILE A 1 105 ? -47.087 -11.414 -12.657 1.00 31.74 ? 106 ILE A CB 1 ATOM 818 C CG1 . ILE A 1 105 ? -45.689 -11.153 -12.097 1.00 33.57 ? 106 ILE A CG1 1 ATOM 819 C CG2 . ILE A 1 105 ? -47.753 -12.732 -12.121 1.00 32.05 ? 106 ILE A CG2 1 ATOM 820 C CD1 . ILE A 1 105 ? -45.560 -11.085 -10.597 1.00 36.60 ? 106 ILE A CD1 1 ATOM 821 N N . GLY A 1 106 ? -47.163 -13.590 -15.295 1.00 29.02 ? 107 GLY A N 1 ATOM 822 C CA . GLY A 1 106 ? -46.586 -14.729 -16.039 1.00 27.67 ? 107 GLY A CA 1 ATOM 823 C C . GLY A 1 106 ? -45.912 -14.398 -17.350 1.00 26.41 ? 107 GLY A C 1 ATOM 824 O O . GLY A 1 106 ? -45.111 -15.244 -17.802 1.00 29.87 ? 107 GLY A O 1 ATOM 825 N N . ASP A 1 107 ? -46.197 -13.232 -17.971 1.00 23.41 ? 108 ASP A N 1 ATOM 826 C CA . ASP A 1 107 ? -45.567 -12.740 -19.137 1.00 22.29 ? 108 ASP A CA 1 ATOM 827 C C . ASP A 1 107 ? -44.356 -11.768 -18.884 1.00 19.64 ? 108 ASP A C 1 ATOM 828 O O . ASP A 1 107 ? -43.789 -11.250 -19.798 1.00 18.92 ? 108 ASP A O 1 ATOM 829 C CB . ASP A 1 107 ? -46.546 -12.005 -20.031 1.00 24.60 ? 108 ASP A CB 1 ATOM 830 C CG . ASP A 1 107 ? -47.567 -12.992 -20.660 1.00 35.07 ? 108 ASP A CG 1 ATOM 831 O OD1 . ASP A 1 107 ? -47.306 -14.250 -20.712 1.00 35.05 ? 108 ASP A OD1 1 ATOM 832 O OD2 . ASP A 1 107 ? -48.607 -12.469 -21.012 1.00 40.50 ? 108 ASP A OD2 1 ATOM 833 N N . ASP A 1 108 ? -43.981 -11.639 -17.621 1.00 19.94 ? 109 ASP A N 1 ATOM 834 C CA . ASP A 1 108 ? -42.891 -10.684 -17.299 1.00 20.78 ? 109 ASP A CA 1 ATOM 835 C C . ASP A 1 108 ? -41.547 -11.092 -17.986 1.00 20.01 ? 109 ASP A C 1 ATOM 836 O O . ASP A 1 108 ? -40.826 -10.221 -18.415 1.00 17.94 ? 109 ASP A O 1 ATOM 837 C CB . ASP A 1 108 ? -42.725 -10.681 -15.768 1.00 20.93 ? 109 ASP A CB 1 ATOM 838 C CG . ASP A 1 108 ? -41.619 -9.775 -15.328 1.00 23.46 ? 109 ASP A CG 1 ATOM 839 O OD1 . ASP A 1 108 ? -41.875 -8.615 -15.261 1.00 20.06 ? 109 ASP A OD1 1 ATOM 840 O OD2 . ASP A 1 108 ? -40.514 -10.241 -15.011 1.00 23.63 ? 109 ASP A OD2 1 ATOM 841 N N . TRP A 1 109 ? -41.301 -12.402 -18.133 1.00 18.93 ? 110 TRP A N 1 ATOM 842 C CA . TRP A 1 109 ? -40.069 -12.885 -18.767 1.00 19.73 ? 110 TRP A CA 1 ATOM 843 C C . TRP A 1 109 ? -39.767 -12.283 -20.088 1.00 19.15 ? 110 TRP A C 1 ATOM 844 O O . TRP A 1 109 ? -38.560 -12.139 -20.423 1.00 18.87 ? 110 TRP A O 1 ATOM 845 C CB . TRP A 1 109 ? -40.081 -14.450 -18.867 1.00 20.48 ? 110 TRP A CB 1 ATOM 846 C CG . TRP A 1 109 ? -40.997 -14.873 -19.989 1.00 22.49 ? 110 TRP A CG 1 ATOM 847 C CD1 . TRP A 1 109 ? -42.336 -15.176 -19.859 1.00 27.73 ? 110 TRP A CD1 1 ATOM 848 C CD2 . TRP A 1 109 ? -40.656 -15.067 -21.378 1.00 24.59 ? 110 TRP A CD2 1 ATOM 849 N NE1 . TRP A 1 109 ? -42.886 -15.473 -21.144 1.00 26.84 ? 110 TRP A NE1 1 ATOM 850 C CE2 . TRP A 1 109 ? -41.888 -15.429 -22.072 1.00 28.31 ? 110 TRP A CE2 1 ATOM 851 C CE3 . TRP A 1 109 ? -39.455 -14.998 -22.113 1.00 22.44 ? 110 TRP A CE3 1 ATOM 852 C CZ2 . TRP A 1 109 ? -41.908 -15.763 -23.481 1.00 27.45 ? 110 TRP A CZ2 1 ATOM 853 C CZ3 . TRP A 1 109 ? -39.471 -15.196 -23.496 1.00 28.54 ? 110 TRP A CZ3 1 ATOM 854 C CH2 . TRP A 1 109 ? -40.710 -15.616 -24.176 1.00 26.52 ? 110 TRP A CH2 1 ATOM 855 N N . LYS A 1 110 ? -40.804 -11.877 -20.906 1.00 17.49 ? 111 LYS A N 1 ATOM 856 C CA . LYS A 1 110 ? -40.480 -11.346 -22.165 1.00 18.77 ? 111 LYS A CA 1 ATOM 857 C C . LYS A 1 110 ? -40.577 -9.904 -22.302 1.00 18.66 ? 111 LYS A C 1 ATOM 858 O O . LYS A 1 110 ? -40.494 -9.339 -23.388 1.00 21.23 ? 111 LYS A O 1 ATOM 859 C CB . LYS A 1 110 ? -41.360 -12.055 -23.251 1.00 22.14 ? 111 LYS A CB 1 ATOM 860 C CG . LYS A 1 110 ? -42.927 -11.699 -22.901 1.00 25.73 ? 111 LYS A CG 1 ATOM 861 C CD . LYS A 1 110 ? -43.798 -11.965 -24.166 1.00 39.43 ? 111 LYS A CD 1 ATOM 862 C CE . LYS A 1 110 ? -44.167 -13.345 -24.098 1.00 45.63 ? 111 LYS A CE 1 ATOM 863 N NZ . LYS A 1 110 ? -45.399 -13.467 -23.210 1.00 51.27 ? 111 LYS A NZ 1 ATOM 864 N N . ALA A 1 111 ? -40.680 -9.196 -21.153 1.00 18.11 ? 112 ALA A N 1 ATOM 865 C CA . ALA A 1 111 ? -41.008 -7.761 -21.260 1.00 16.60 ? 112 ALA A CA 1 ATOM 866 C C . ALA A 1 111 ? -39.787 -6.809 -21.423 1.00 17.64 ? 112 ALA A C 1 ATOM 867 O O . ALA A 1 111 ? -39.927 -5.575 -21.499 1.00 18.71 ? 112 ALA A O 1 ATOM 868 C CB . ALA A 1 111 ? -41.740 -7.289 -19.952 1.00 17.80 ? 112 ALA A CB 1 ATOM 869 N N . THR A 1 112 ? -38.516 -7.347 -21.479 1.00 14.95 ? 113 THR A N 1 ATOM 870 C CA . THR A 1 112 ? -37.379 -6.471 -21.509 1.00 14.59 ? 113 THR A CA 1 ATOM 871 C C . THR A 1 112 ? -36.409 -6.643 -22.629 1.00 17.01 ? 113 THR A C 1 ATOM 872 O O . THR A 1 112 ? -35.788 -7.746 -22.749 1.00 16.92 ? 113 THR A O 1 ATOM 873 C CB . THR A 1 112 ? -36.513 -6.638 -20.130 1.00 13.79 ? 113 THR A CB 1 ATOM 874 O OG1 . THR A 1 112 ? -37.409 -6.529 -19.064 1.00 17.74 ? 113 THR A OG1 1 ATOM 875 C CG2 . THR A 1 112 ? -35.427 -5.584 -20.104 1.00 16.42 ? 113 THR A CG2 1 ATOM 876 N N . ARG A 1 113 ? -36.236 -5.603 -23.449 1.00 16.24 ? 114 ARG A N 1 ATOM 877 C CA . ARG A 1 113 ? -35.343 -5.635 -24.590 1.00 15.40 ? 114 ARG A CA 1 ATOM 878 C C . ARG A 1 113 ? -34.077 -4.867 -24.131 1.00 15.97 ? 114 ARG A C 1 ATOM 879 O O . ARG A 1 113 ? -34.094 -4.009 -23.151 1.00 15.70 ? 114 ARG A O 1 ATOM 880 C CB . ARG A 1 113 ? -35.910 -4.873 -25.782 1.00 18.05 ? 114 ARG A CB 1 ATOM 881 C CG . ARG A 1 113 ? -37.083 -5.645 -26.437 1.00 20.15 ? 114 ARG A CG 1 ATOM 882 C CD . ARG A 1 113 ? -37.534 -4.691 -27.586 1.00 23.01 ? 114 ARG A CD 1 ATOM 883 N NE . ARG A 1 113 ? -38.545 -5.268 -28.485 1.00 32.64 ? 114 ARG A NE 1 ATOM 884 C CZ . ARG A 1 113 ? -39.856 -5.046 -28.372 1.00 34.76 ? 114 ARG A CZ 1 ATOM 885 N NH1 . ARG A 1 113 ? -40.338 -4.276 -27.400 1.00 28.12 ? 114 ARG A NH1 1 ATOM 886 N NH2 . ARG A 1 113 ? -40.663 -5.567 -29.257 1.00 32.86 ? 114 ARG A NH2 1 ATOM 887 N N . VAL A 1 114 ? -32.990 -5.243 -24.780 1.00 16.24 ? 115 VAL A N 1 ATOM 888 C CA . VAL A 1 114 ? -31.720 -4.592 -24.466 1.00 14.07 ? 115 VAL A CA 1 ATOM 889 C C . VAL A 1 114 ? -31.029 -4.118 -25.730 1.00 16.00 ? 115 VAL A C 1 ATOM 890 O O . VAL A 1 114 ? -31.174 -4.747 -26.809 1.00 17.12 ? 115 VAL A O 1 ATOM 891 C CB . VAL A 1 114 ? -30.830 -5.626 -23.570 1.00 15.03 ? 115 VAL A CB 1 ATOM 892 C CG1 . VAL A 1 114 ? -30.490 -6.908 -24.368 1.00 15.49 ? 115 VAL A CG1 1 ATOM 893 C CG2 . VAL A 1 114 ? -29.589 -4.937 -23.043 1.00 14.46 ? 115 VAL A CG2 1 ATOM 894 N N . GLY A 1 115 ? -30.151 -3.155 -25.600 1.00 14.25 ? 116 GLY A N 1 ATOM 895 C CA . GLY A 1 115 ? -29.403 -2.667 -26.744 1.00 15.36 ? 116 GLY A CA 1 ATOM 896 C C . GLY A 1 115 ? -28.372 -1.611 -26.405 1.00 18.40 ? 116 GLY A C 1 ATOM 897 O O . GLY A 1 115 ? -28.155 -1.299 -25.188 1.00 15.98 ? 116 GLY A O 1 ATOM 898 N N . ILE A 1 116 ? -27.662 -1.094 -27.405 1.00 17.47 ? 117 ILE A N 1 ATOM 899 C CA . ILE A 1 116 ? -26.747 0.007 -27.210 1.00 19.18 ? 117 ILE A CA 1 ATOM 900 C C . ILE A 1 116 ? -27.252 1.278 -27.851 1.00 19.36 ? 117 ILE A C 1 ATOM 901 O O . ILE A 1 116 ? -28.086 1.218 -28.725 1.00 18.71 ? 117 ILE A O 1 ATOM 902 C CB . ILE A 1 116 ? -25.315 -0.249 -27.750 1.00 18.97 ? 117 ILE A CB 1 ATOM 903 C CG1 . ILE A 1 116 ? -25.299 -0.454 -29.290 1.00 19.05 ? 117 ILE A CG1 1 ATOM 904 C CG2 . ILE A 1 116 ? -24.777 -1.512 -27.081 1.00 22.42 ? 117 ILE A CG2 1 ATOM 905 C CD1 . ILE A 1 116 ? -23.974 0.120 -29.937 1.00 29.54 ? 117 ILE A CD1 1 ATOM 906 N N . ASN A 1 117 ? -26.687 2.364 -27.472 1.00 19.73 ? 118 ASN A N 1 ATOM 907 C CA . ASN A 1 117 ? -26.969 3.631 -28.194 1.00 24.55 ? 118 ASN A CA 1 ATOM 908 C C . ASN A 1 117 ? -25.715 4.489 -28.025 1.00 23.28 ? 118 ASN A C 1 ATOM 909 O O . ASN A 1 117 ? -25.222 4.777 -26.901 1.00 26.00 ? 118 ASN A O 1 ATOM 910 C CB . ASN A 1 117 ? -28.229 4.220 -27.486 1.00 24.07 ? 118 ASN A CB 1 ATOM 911 C CG . ASN A 1 117 ? -28.909 5.361 -28.219 1.00 35.31 ? 118 ASN A CG 1 ATOM 912 O OD1 . ASN A 1 117 ? -30.049 5.715 -27.878 1.00 40.47 ? 118 ASN A OD1 1 ATOM 913 N ND2 . ASN A 1 117 ? -28.247 5.962 -29.136 1.00 29.97 ? 118 ASN A ND2 1 ATOM 914 N N . ILE A 1 118 ? -25.159 4.957 -29.144 1.00 21.66 ? 119 ILE A N 1 ATOM 915 C CA . ILE A 1 118 ? -24.011 5.821 -29.089 1.00 19.98 ? 119 ILE A CA 1 ATOM 916 C C . ILE A 1 118 ? -24.427 7.208 -29.573 1.00 23.01 ? 119 ILE A C 1 ATOM 917 O O . ILE A 1 118 ? -25.026 7.275 -30.628 1.00 20.47 ? 119 ILE A O 1 ATOM 918 C CB . ILE A 1 118 ? -22.924 5.273 -30.044 1.00 23.39 ? 119 ILE A CB 1 ATOM 919 C CG1 . ILE A 1 118 ? -22.472 3.913 -29.474 1.00 27.28 ? 119 ILE A CG1 1 ATOM 920 C CG2 . ILE A 1 118 ? -21.787 6.312 -30.060 1.00 20.78 ? 119 ILE A CG2 1 ATOM 921 C CD1 . ILE A 1 118 ? -21.426 3.133 -30.312 1.00 34.74 ? 119 ILE A CD1 1 ATOM 922 N N . PHE A 1 119 ? -24.139 8.254 -28.782 1.00 19.60 ? 120 PHE A N 1 ATOM 923 C CA . PHE A 1 119 ? -24.606 9.627 -29.128 1.00 19.43 ? 120 PHE A CA 1 ATOM 924 C C . PHE A 1 119 ? -23.475 10.507 -29.441 1.00 21.85 ? 120 PHE A C 1 ATOM 925 O O . PHE A 1 119 ? -22.397 10.478 -28.784 1.00 18.98 ? 120 PHE A O 1 ATOM 926 C CB . PHE A 1 119 ? -25.359 10.273 -27.928 1.00 18.40 ? 120 PHE A CB 1 ATOM 927 C CG . PHE A 1 119 ? -26.601 9.574 -27.539 1.00 21.63 ? 120 PHE A CG 1 ATOM 928 C CD1 . PHE A 1 119 ? -26.582 8.512 -26.589 1.00 24.76 ? 120 PHE A CD1 1 ATOM 929 C CD2 . PHE A 1 119 ? -27.848 10.053 -28.016 1.00 23.72 ? 120 PHE A CD2 1 ATOM 930 C CE1 . PHE A 1 119 ? -27.776 7.941 -26.175 1.00 27.51 ? 120 PHE A CE1 1 ATOM 931 C CE2 . PHE A 1 119 ? -29.063 9.431 -27.623 1.00 25.43 ? 120 PHE A CE2 1 ATOM 932 C CZ . PHE A 1 119 ? -29.009 8.413 -26.698 1.00 25.34 ? 120 PHE A CZ 1 ATOM 933 N N . THR A 1 120 ? -23.704 11.441 -30.422 1.00 22.69 ? 121 THR A N 1 ATOM 934 C CA . THR A 1 120 ? -22.680 12.437 -30.714 1.00 23.29 ? 121 THR A CA 1 ATOM 935 C C . THR A 1 120 ? -23.382 13.809 -30.675 1.00 23.95 ? 121 THR A C 1 ATOM 936 O O . THR A 1 120 ? -24.580 13.843 -30.775 1.00 21.16 ? 121 THR A O 1 ATOM 937 C CB . THR A 1 120 ? -22.036 12.180 -32.150 1.00 24.49 ? 121 THR A CB 1 ATOM 938 O OG1 . THR A 1 120 ? -20.957 13.084 -32.369 1.00 26.82 ? 121 THR A OG1 1 ATOM 939 C CG2 . THR A 1 120 ? -23.088 12.311 -33.248 1.00 25.28 ? 121 THR A CG2 1 ATOM 940 N N . ARG A 1 121 ? -22.637 14.858 -30.447 1.00 24.58 ? 122 ARG A N 1 ATOM 941 C CA . ARG A 1 121 ? -23.288 16.176 -30.293 1.00 29.90 ? 122 ARG A CA 1 ATOM 942 C C . ARG A 1 121 ? -23.916 16.648 -31.608 1.00 31.44 ? 122 ARG A C 1 ATOM 943 O O . ARG A 1 121 ? -23.339 16.466 -32.686 1.00 31.48 ? 122 ARG A O 1 ATOM 944 C CB . ARG A 1 121 ? -22.300 17.218 -29.766 1.00 31.13 ? 122 ARG A CB 1 ATOM 945 C CG . ARG A 1 121 ? -21.963 17.041 -28.270 1.00 35.70 ? 122 ARG A CG 1 ATOM 946 C CD . ARG A 1 121 ? -23.142 17.397 -27.313 1.00 39.22 ? 122 ARG A CD 1 ATOM 947 N NE . ARG A 1 121 ? -23.347 18.817 -27.304 1.00 47.16 ? 122 ARG A NE 1 ATOM 948 C CZ . ARG A 1 121 ? -22.515 19.675 -26.712 1.00 50.11 ? 122 ARG A CZ 1 ATOM 949 N NH1 . ARG A 1 121 ? -21.446 19.220 -26.037 1.00 48.29 ? 122 ARG A NH1 1 ATOM 950 N NH2 . ARG A 1 121 ? -22.769 20.979 -26.800 1.00 52.39 ? 122 ARG A NH2 1 ATOM 951 N N . LEU A 1 122 ? -25.093 17.235 -31.526 1.00 32.68 ? 123 LEU A N 1 ATOM 952 C CA . LEU A 1 122 ? -25.775 17.722 -32.742 1.00 35.81 ? 123 LEU A CA 1 ATOM 953 C C . LEU A 1 122 ? -25.637 19.205 -32.628 1.00 37.48 ? 123 LEU A C 1 ATOM 954 O O . LEU A 1 122 ? -26.004 19.825 -31.610 1.00 38.23 ? 123 LEU A O 1 ATOM 955 C CB . LEU A 1 122 ? -27.244 17.249 -32.705 1.00 38.33 ? 123 LEU A CB 1 ATOM 956 C CG . LEU A 1 122 ? -28.124 17.404 -33.930 1.00 41.12 ? 123 LEU A CG 1 ATOM 957 C CD1 . LEU A 1 122 ? -27.510 16.723 -35.135 1.00 44.14 ? 123 LEU A CD1 1 ATOM 958 C CD2 . LEU A 1 122 ? -29.484 16.894 -33.555 1.00 46.55 ? 123 LEU A CD2 1 ATOM 959 O OXT . LEU A 1 122 ? -24.995 19.810 -33.472 1.00 41.71 ? 123 LEU A OXT 1 ATOM 960 N N . LYS B 1 2 ? -53.386 1.711 -9.096 1.00 41.50 ? 3 LYS B N 1 ATOM 961 C CA . LYS B 1 2 ? -53.428 0.953 -7.805 1.00 37.74 ? 3 LYS B CA 1 ATOM 962 C C . LYS B 1 2 ? -52.127 0.225 -7.378 1.00 35.53 ? 3 LYS B C 1 ATOM 963 O O . LYS B 1 2 ? -51.900 0.173 -6.188 1.00 35.38 ? 3 LYS B O 1 ATOM 964 C CB . LYS B 1 2 ? -54.760 0.135 -7.559 1.00 38.09 ? 3 LYS B CB 1 ATOM 965 C CG . LYS B 1 2 ? -54.906 -1.273 -8.140 1.00 39.71 ? 3 LYS B CG 1 ATOM 966 C CD . LYS B 1 2 ? -55.743 -2.250 -7.181 1.00 48.85 ? 3 LYS B CD 1 ATOM 967 C CE . LYS B 1 2 ? -56.745 -3.118 -7.998 1.00 48.94 ? 3 LYS B CE 1 ATOM 968 N NZ . LYS B 1 2 ? -57.547 -2.184 -8.914 1.00 52.16 ? 3 LYS B NZ 1 ATOM 969 N N . CYS B 1 3 ? -51.243 -0.300 -8.266 1.00 32.37 ? 4 CYS B N 1 ATOM 970 C CA . CYS B 1 3 ? -49.888 -0.719 -7.718 1.00 28.31 ? 4 CYS B CA 1 ATOM 971 C C . CYS B 1 3 ? -49.038 0.560 -7.561 1.00 27.47 ? 4 CYS B C 1 ATOM 972 O O . CYS B 1 3 ? -48.788 1.253 -8.581 1.00 30.87 ? 4 CYS B O 1 ATOM 973 C CB . CYS B 1 3 ? -49.129 -1.704 -8.685 1.00 26.52 ? 4 CYS B CB 1 ATOM 974 S SG . CYS B 1 3 ? -47.813 -2.596 -7.951 1.00 29.53 ? 4 CYS B SG 1 ATOM 975 N N . SER B 1 4 ? -48.597 0.889 -6.346 1.00 23.68 ? 5 SER B N 1 ATOM 976 C CA . SER B 1 4 ? -47.845 2.101 -6.084 1.00 25.80 ? 5 SER B CA 1 ATOM 977 C C . SER B 1 4 ? -46.401 1.814 -5.750 1.00 23.82 ? 5 SER B C 1 ATOM 978 O O . SER B 1 4 ? -46.150 0.874 -5.059 1.00 24.27 ? 5 SER B O 1 ATOM 979 C CB . SER B 1 4 ? -48.473 2.779 -4.820 1.00 27.38 ? 5 SER B CB 1 ATOM 980 O OG . SER B 1 4 ? -47.758 4.008 -4.534 1.00 28.18 ? 5 SER B OG 1 ATOM 981 N N . LEU B 1 5 ? -45.483 2.644 -6.233 1.00 22.36 ? 6 LEU B N 1 ATOM 982 C CA . LEU B 1 5 ? -44.077 2.398 -5.945 1.00 23.57 ? 6 LEU B CA 1 ATOM 983 C C . LEU B 1 5 ? -43.642 2.957 -4.577 1.00 21.47 ? 6 LEU B C 1 ATOM 984 O O . LEU B 1 5 ? -42.545 2.654 -4.083 1.00 21.07 ? 6 LEU B O 1 ATOM 985 C CB . LEU B 1 5 ? -43.220 3.118 -6.954 1.00 24.28 ? 6 LEU B CB 1 ATOM 986 C CG . LEU B 1 5 ? -43.618 2.848 -8.393 1.00 26.09 ? 6 LEU B CG 1 ATOM 987 C CD1 . LEU B 1 5 ? -42.763 3.614 -9.372 1.00 25.92 ? 6 LEU B CD1 1 ATOM 988 C CD2 . LEU B 1 5 ? -43.432 1.322 -8.556 1.00 27.12 ? 6 LEU B CD2 1 ATOM 989 N N . THR B 1 6 ? -44.500 3.847 -4.006 1.00 21.16 ? 7 THR B N 1 ATOM 990 C CA . THR B 1 6 ? -44.120 4.578 -2.806 1.00 21.31 ? 7 THR B CA 1 ATOM 991 C C . THR B 1 6 ? -44.059 3.634 -1.650 1.00 22.00 ? 7 THR B C 1 ATOM 992 O O . THR B 1 6 ? -45.035 2.907 -1.419 1.00 27.47 ? 7 THR B O 1 ATOM 993 C CB . THR B 1 6 ? -45.193 5.693 -2.515 1.00 21.28 ? 7 THR B CB 1 ATOM 994 O OG1 . THR B 1 6 ? -45.150 6.628 -3.595 1.00 23.88 ? 7 THR B OG1 1 ATOM 995 C CG2 . THR B 1 6 ? -44.847 6.402 -1.142 1.00 25.90 ? 7 THR B CG2 1 ATOM 996 N N . GLY B 1 7 ? -42.975 3.583 -0.924 1.00 21.13 ? 8 GLY B N 1 ATOM 997 C CA . GLY B 1 7 ? -42.855 2.639 0.169 1.00 22.78 ? 8 GLY B CA 1 ATOM 998 C C . GLY B 1 7 ? -41.460 2.277 0.453 1.00 21.85 ? 8 GLY B C 1 ATOM 999 O O . GLY B 1 7 ? -40.545 2.795 -0.190 1.00 23.62 ? 8 GLY B O 1 ATOM 1000 N N . LYS B 1 8 ? -41.251 1.347 1.389 1.00 20.28 ? 9 LYS B N 1 ATOM 1001 C CA . LYS B 1 8 ? -39.982 0.721 1.623 1.00 19.69 ? 9 LYS B CA 1 ATOM 1002 C C . LYS B 1 8 ? -39.995 -0.750 1.071 1.00 18.76 ? 9 LYS B C 1 ATOM 1003 O O . LYS B 1 8 ? -41.034 -1.489 1.173 1.00 22.25 ? 9 LYS B O 1 ATOM 1004 C CB . LYS B 1 8 ? -39.719 0.730 3.139 1.00 19.95 ? 9 LYS B CB 1 ATOM 1005 C CG . LYS B 1 8 ? -38.426 0.158 3.391 1.00 21.05 ? 9 LYS B CG 1 ATOM 1006 C CD . LYS B 1 8 ? -37.979 0.357 4.857 1.00 24.91 ? 9 LYS B CD 1 ATOM 1007 C CE . LYS B 1 8 ? -36.540 0.142 4.976 1.00 26.66 ? 9 LYS B CE 1 ATOM 1008 N NZ . LYS B 1 8 ? -36.114 0.268 6.454 1.00 28.27 ? 9 LYS B NZ 1 ATOM 1009 N N . TRP B 1 9 ? -38.906 -1.080 0.375 1.00 19.68 ? 10 TRP B N 1 ATOM 1010 C CA . TRP B 1 9 ? -38.818 -2.347 -0.398 1.00 20.72 ? 10 TRP B CA 1 ATOM 1011 C C . TRP B 1 9 ? -37.585 -3.080 -0.034 1.00 19.71 ? 10 TRP B C 1 ATOM 1012 O O . TRP B 1 9 ? -36.552 -2.489 0.274 1.00 19.59 ? 10 TRP B O 1 ATOM 1013 C CB . TRP B 1 9 ? -38.774 -1.972 -1.912 1.00 20.51 ? 10 TRP B CB 1 ATOM 1014 C CG . TRP B 1 9 ? -39.956 -1.243 -2.395 1.00 19.02 ? 10 TRP B CG 1 ATOM 1015 C CD1 . TRP B 1 9 ? -40.173 0.137 -2.380 1.00 17.07 ? 10 TRP B CD1 1 ATOM 1016 C CD2 . TRP B 1 9 ? -41.154 -1.831 -2.923 1.00 20.43 ? 10 TRP B CD2 1 ATOM 1017 N NE1 . TRP B 1 9 ? -41.436 0.404 -2.899 1.00 20.38 ? 10 TRP B NE1 1 ATOM 1018 C CE2 . TRP B 1 9 ? -42.036 -0.793 -3.246 1.00 21.83 ? 10 TRP B CE2 1 ATOM 1019 C CE3 . TRP B 1 9 ? -41.543 -3.186 -3.173 1.00 22.29 ? 10 TRP B CE3 1 ATOM 1020 C CZ2 . TRP B 1 9 ? -43.308 -1.019 -3.885 1.00 22.76 ? 10 TRP B CZ2 1 ATOM 1021 C CZ3 . TRP B 1 9 ? -42.841 -3.421 -3.779 1.00 23.86 ? 10 TRP B CZ3 1 ATOM 1022 C CH2 . TRP B 1 9 ? -43.707 -2.332 -4.102 1.00 25.99 ? 10 TRP B CH2 1 ATOM 1023 N N . THR B 1 10 ? -37.575 -4.432 -0.159 1.00 19.23 ? 11 THR B N 1 ATOM 1024 C CA . THR B 1 10 ? -36.354 -5.144 -0.029 1.00 18.66 ? 11 THR B CA 1 ATOM 1025 C C . THR B 1 10 ? -36.267 -6.192 -1.152 1.00 20.52 ? 11 THR B C 1 ATOM 1026 O O . THR B 1 10 ? -37.278 -6.493 -1.804 1.00 23.08 ? 11 THR B O 1 ATOM 1027 C CB . THR B 1 10 ? -36.218 -5.911 1.385 1.00 21.29 ? 11 THR B CB 1 ATOM 1028 O OG1 . THR B 1 10 ? -34.859 -6.391 1.595 1.00 24.40 ? 11 THR B OG1 1 ATOM 1029 C CG2 . THR B 1 10 ? -37.211 -7.070 1.510 1.00 25.31 ? 11 THR B CG2 1 ATOM 1030 N N . ASN B 1 11 ? -35.083 -6.688 -1.388 1.00 22.55 ? 12 ASN B N 1 ATOM 1031 C CA . ASN B 1 11 ? -34.901 -7.924 -2.240 1.00 25.35 ? 12 ASN B CA 1 ATOM 1032 C C . ASN B 1 11 ? -34.226 -9.092 -1.572 1.00 28.39 ? 12 ASN B C 1 ATOM 1033 O O . ASN B 1 11 ? -33.826 -9.019 -0.404 1.00 29.18 ? 12 ASN B O 1 ATOM 1034 C CB . ASN B 1 11 ? -34.146 -7.497 -3.464 1.00 25.98 ? 12 ASN B CB 1 ATOM 1035 C CG . ASN B 1 11 ? -32.631 -7.135 -3.199 1.00 20.32 ? 12 ASN B CG 1 ATOM 1036 O OD1 . ASN B 1 11 ? -31.991 -7.497 -2.190 1.00 30.18 ? 12 ASN B OD1 1 ATOM 1037 N ND2 . ASN B 1 11 ? -32.137 -6.413 -4.076 1.00 26.03 ? 12 ASN B ND2 1 ATOM 1038 N N . ASP B 1 12 ? -34.068 -10.226 -2.289 1.00 35.21 ? 13 ASP B N 1 ATOM 1039 C CA . ASP B 1 12 ? -33.491 -11.454 -1.618 1.00 39.95 ? 13 ASP B CA 1 ATOM 1040 C C . ASP B 1 12 ? -32.017 -11.317 -1.188 1.00 41.81 ? 13 ASP B C 1 ATOM 1041 O O . ASP B 1 12 ? -31.566 -11.982 -0.176 1.00 42.47 ? 13 ASP B O 1 ATOM 1042 C CB . ASP B 1 12 ? -33.608 -12.708 -2.507 1.00 41.33 ? 13 ASP B CB 1 ATOM 1043 C CG . ASP B 1 12 ? -34.867 -13.509 -2.246 1.00 46.00 ? 13 ASP B CG 1 ATOM 1044 O OD1 . ASP B 1 12 ? -35.800 -13.044 -1.510 1.00 46.63 ? 13 ASP B OD1 1 ATOM 1045 O OD2 . ASP B 1 12 ? -34.937 -14.612 -2.831 1.00 50.91 ? 13 ASP B OD2 1 ATOM 1046 N N . LEU B 1 13 ? -31.283 -10.453 -1.924 1.00 42.86 ? 14 LEU B N 1 ATOM 1047 C CA . LEU B 1 13 ? -29.905 -10.088 -1.590 1.00 41.09 ? 14 LEU B CA 1 ATOM 1048 C C . LEU B 1 13 ? -29.865 -9.324 -0.310 1.00 39.48 ? 14 LEU B C 1 ATOM 1049 O O . LEU B 1 13 ? -28.805 -9.231 0.329 1.00 41.92 ? 14 LEU B O 1 ATOM 1050 C CB . LEU B 1 13 ? -29.277 -9.298 -2.768 1.00 41.38 ? 14 LEU B CB 1 ATOM 1051 C CG . LEU B 1 13 ? -28.336 -9.875 -3.868 1.00 48.29 ? 14 LEU B CG 1 ATOM 1052 C CD1 . LEU B 1 13 ? -28.585 -11.321 -4.443 1.00 45.75 ? 14 LEU B CD1 1 ATOM 1053 C CD2 . LEU B 1 13 ? -28.252 -8.915 -5.061 1.00 49.75 ? 14 LEU B CD2 1 ATOM 1054 N N . GLY B 1 14 ? -31.006 -8.755 0.133 1.00 35.49 ? 15 GLY B N 1 ATOM 1055 C CA . GLY B 1 14 ? -31.036 -8.119 1.420 1.00 30.64 ? 15 GLY B CA 1 ATOM 1056 C C . GLY B 1 14 ? -30.890 -6.583 1.212 1.00 26.27 ? 15 GLY B C 1 ATOM 1057 O O . GLY B 1 14 ? -30.772 -5.867 2.185 1.00 26.28 ? 15 GLY B O 1 ATOM 1058 N N . SER B 1 15 ? -30.853 -6.102 -0.049 1.00 22.86 ? 16 SER B N 1 ATOM 1059 C CA . SER B 1 15 ? -30.722 -4.620 -0.261 1.00 19.70 ? 16 SER B CA 1 ATOM 1060 C C . SER B 1 15 ? -32.076 -4.000 0.047 1.00 19.73 ? 16 SER B C 1 ATOM 1061 O O . SER B 1 15 ? -33.146 -4.607 -0.185 1.00 18.61 ? 16 SER B O 1 ATOM 1062 C CB . SER B 1 15 ? -30.277 -4.347 -1.721 1.00 19.42 ? 16 SER B CB 1 ATOM 1063 O OG . SER B 1 15 ? -29.062 -5.003 -2.012 1.00 20.94 ? 16 SER B OG 1 ATOM 1064 N N . ASN B 1 16 ? -32.118 -2.744 0.532 1.00 17.63 ? 17 ASN B N 1 ATOM 1065 C CA . ASN B 1 16 ? -33.387 -2.073 0.634 1.00 18.55 ? 17 ASN B CA 1 ATOM 1066 C C . ASN B 1 16 ? -33.410 -0.811 -0.139 1.00 18.52 ? 17 ASN B C 1 ATOM 1067 O O . ASN B 1 16 ? -32.345 -0.265 -0.507 1.00 20.26 ? 17 ASN B O 1 ATOM 1068 C CB . ASN B 1 16 ? -33.624 -1.638 2.097 1.00 18.13 ? 17 ASN B CB 1 ATOM 1069 C CG . ASN B 1 16 ? -33.572 -2.854 3.063 1.00 26.42 ? 17 ASN B CG 1 ATOM 1070 O OD1 . ASN B 1 16 ? -34.042 -3.968 2.760 1.00 24.29 ? 17 ASN B OD1 1 ATOM 1071 N ND2 . ASN B 1 16 ? -32.982 -2.627 4.226 1.00 29.09 ? 17 ASN B ND2 1 ATOM 1072 N N . MET B 1 17 ? -34.603 -0.382 -0.448 1.00 19.42 ? 18 MET B N 1 ATOM 1073 C CA . MET B 1 17 ? -34.777 0.880 -1.174 1.00 21.62 ? 18 MET B CA 1 ATOM 1074 C C . MET B 1 17 ? -35.980 1.600 -0.561 1.00 20.77 ? 18 MET B C 1 ATOM 1075 O O . MET B 1 17 ? -36.982 0.986 -0.201 1.00 21.83 ? 18 MET B O 1 ATOM 1076 C CB . MET B 1 17 ? -35.164 0.474 -2.644 1.00 22.54 ? 18 MET B CB 1 ATOM 1077 C CG . MET B 1 17 ? -35.719 1.472 -3.367 1.00 25.77 ? 18 MET B CG 1 ATOM 1078 S SD . MET B 1 17 ? -35.809 0.873 -5.100 1.00 23.20 ? 18 MET B SD 1 ATOM 1079 C CE . MET B 1 17 ? -37.338 -0.084 -5.305 1.00 22.88 ? 18 MET B CE 1 ATOM 1080 N N . THR B 1 18 ? -35.946 2.930 -0.471 1.00 20.15 ? 19 THR B N 1 ATOM 1081 C CA . THR B 1 18 ? -37.201 3.658 -0.259 1.00 18.72 ? 19 THR B CA 1 ATOM 1082 C C . THR B 1 18 ? -37.526 4.470 -1.468 1.00 18.26 ? 19 THR B C 1 ATOM 1083 O O . THR B 1 18 ? -36.640 4.944 -2.187 1.00 18.82 ? 19 THR B O 1 ATOM 1084 C CB . THR B 1 18 ? -37.122 4.638 1.014 1.00 20.39 ? 19 THR B CB 1 ATOM 1085 O OG1 . THR B 1 18 ? -36.061 5.605 0.833 1.00 20.04 ? 19 THR B OG1 1 ATOM 1086 C CG2 . THR B 1 18 ? -36.697 3.777 2.272 1.00 17.26 ? 19 THR B CG2 1 ATOM 1087 N N . ILE B 1 19 ? -38.816 4.627 -1.721 1.00 18.71 ? 20 ILE B N 1 ATOM 1088 C CA . ILE B 1 19 ? -39.346 5.516 -2.751 1.00 20.06 ? 20 ILE B CA 1 ATOM 1089 C C . ILE B 1 19 ? -40.378 6.427 -2.087 1.00 20.23 ? 20 ILE B C 1 ATOM 1090 O O . ILE B 1 19 ? -41.287 5.983 -1.389 1.00 20.31 ? 20 ILE B O 1 ATOM 1091 C CB . ILE B 1 19 ? -39.942 4.773 -3.949 1.00 20.14 ? 20 ILE B CB 1 ATOM 1092 C CG1 . ILE B 1 19 ? -38.793 3.937 -4.660 1.00 20.56 ? 20 ILE B CG1 1 ATOM 1093 C CG2 . ILE B 1 19 ? -40.633 5.692 -4.994 1.00 18.09 ? 20 ILE B CG2 1 ATOM 1094 C CD1 . ILE B 1 19 ? -39.234 2.971 -5.812 1.00 21.94 ? 20 ILE B CD1 1 ATOM 1095 N N . GLY B 1 20 ? -40.219 7.711 -2.324 1.00 23.09 ? 21 GLY B N 1 ATOM 1096 C CA . GLY B 1 20 ? -41.252 8.626 -1.832 1.00 22.95 ? 21 GLY B CA 1 ATOM 1097 C C . GLY B 1 20 ? -42.441 8.828 -2.726 1.00 24.33 ? 21 GLY B C 1 ATOM 1098 O O . GLY B 1 20 ? -42.834 8.039 -3.579 1.00 22.17 ? 21 GLY B O 1 ATOM 1099 N N . ALA B 1 21 ? -43.148 9.913 -2.446 1.00 22.99 ? 22 ALA B N 1 ATOM 1100 C CA . ALA B 1 21 ? -44.389 10.162 -3.193 1.00 24.91 ? 22 ALA B CA 1 ATOM 1101 C C . ALA B 1 21 ? -44.074 10.338 -4.703 1.00 22.73 ? 22 ALA B C 1 ATOM 1102 O O . ALA B 1 21 ? -43.085 10.941 -5.082 1.00 23.71 ? 22 ALA B O 1 ATOM 1103 C CB . ALA B 1 21 ? -45.041 11.529 -2.684 1.00 26.46 ? 22 ALA B CB 1 ATOM 1104 N N . VAL B 1 22 ? -45.014 9.924 -5.533 1.00 24.42 ? 23 VAL B N 1 ATOM 1105 C CA . VAL B 1 22 ? -44.870 10.067 -6.961 1.00 23.35 ? 23 VAL B CA 1 ATOM 1106 C C . VAL B 1 22 ? -45.737 11.279 -7.379 1.00 26.93 ? 23 VAL B C 1 ATOM 1107 O O . VAL B 1 22 ? -46.949 11.279 -7.105 1.00 28.32 ? 23 VAL B O 1 ATOM 1108 C CB . VAL B 1 22 ? -45.312 8.796 -7.673 1.00 24.80 ? 23 VAL B CB 1 ATOM 1109 C CG1 . VAL B 1 22 ? -45.238 9.029 -9.246 1.00 23.73 ? 23 VAL B CG1 1 ATOM 1110 C CG2 . VAL B 1 22 ? -44.471 7.603 -7.175 1.00 23.96 ? 23 VAL B CG2 1 ATOM 1111 N N . ASN B 1 23 ? -45.137 12.282 -8.016 1.00 26.44 ? 24 ASN B N 1 ATOM 1112 C CA . ASN B 1 23 ? -45.881 13.525 -8.339 1.00 28.58 ? 24 ASN B CA 1 ATOM 1113 C C . ASN B 1 23 ? -46.721 13.323 -9.586 1.00 30.20 ? 24 ASN B C 1 ATOM 1114 O O . ASN B 1 23 ? -46.760 12.235 -10.131 1.00 28.90 ? 24 ASN B O 1 ATOM 1115 C CB . ASN B 1 23 ? -44.929 14.738 -8.361 1.00 27.41 ? 24 ASN B CB 1 ATOM 1116 C CG . ASN B 1 23 ? -44.037 14.833 -9.602 1.00 28.49 ? 24 ASN B CG 1 ATOM 1117 O OD1 . ASN B 1 23 ? -43.127 15.636 -9.592 1.00 34.71 ? 24 ASN B OD1 1 ATOM 1118 N ND2 . ASN B 1 23 ? -44.251 14.014 -10.628 1.00 26.13 ? 24 ASN B ND2 1 ATOM 1119 N N . SER B 1 24 ? -47.486 14.338 -10.024 1.00 34.11 ? 25 SER B N 1 ATOM 1120 C CA . SER B 1 24 ? -48.434 14.131 -11.151 1.00 35.69 ? 25 SER B CA 1 ATOM 1121 C C . SER B 1 24 ? -47.794 13.852 -12.480 1.00 35.73 ? 25 SER B C 1 ATOM 1122 O O . SER B 1 24 ? -48.452 13.261 -13.339 1.00 35.80 ? 25 SER B O 1 ATOM 1123 C CB . SER B 1 24 ? -49.312 15.400 -11.391 1.00 35.81 ? 25 SER B CB 1 ATOM 1124 O OG . SER B 1 24 ? -48.417 16.484 -11.601 1.00 40.56 ? 25 SER B OG 1 ATOM 1125 N N . ARG B 1 25 ? -46.561 14.301 -12.639 1.00 36.09 ? 26 ARG B N 1 ATOM 1126 C CA . ARG B 1 25 ? -45.677 13.968 -13.787 1.00 34.52 ? 26 ARG B CA 1 ATOM 1127 C C . ARG B 1 25 ? -44.932 12.591 -13.712 1.00 32.46 ? 26 ARG B C 1 ATOM 1128 O O . ARG B 1 25 ? -44.096 12.300 -14.596 1.00 31.51 ? 26 ARG B O 1 ATOM 1129 C CB . ARG B 1 25 ? -44.641 15.064 -13.908 1.00 36.83 ? 26 ARG B CB 1 ATOM 1130 C CG . ARG B 1 25 ? -45.132 16.320 -14.802 1.00 44.37 ? 26 ARG B CG 1 ATOM 1131 C CD . ARG B 1 25 ? -44.288 17.551 -14.513 1.00 53.11 ? 26 ARG B CD 1 ATOM 1132 N NE . ARG B 1 25 ? -44.674 17.991 -13.175 1.00 61.86 ? 26 ARG B NE 1 ATOM 1133 C CZ . ARG B 1 25 ? -43.882 18.088 -12.095 1.00 63.85 ? 26 ARG B CZ 1 ATOM 1134 N NH1 . ARG B 1 25 ? -42.564 17.851 -12.146 1.00 61.48 ? 26 ARG B NH1 1 ATOM 1135 N NH2 . ARG B 1 25 ? -44.437 18.468 -10.944 1.00 64.89 ? 26 ARG B NH2 1 ATOM 1136 N N . GLY B 1 26 ? -45.155 11.845 -12.627 1.00 27.30 ? 27 GLY B N 1 ATOM 1137 C CA . GLY B 1 26 ? -44.755 10.411 -12.511 1.00 26.64 ? 27 GLY B CA 1 ATOM 1138 C C . GLY B 1 26 ? -43.369 10.374 -11.885 1.00 23.25 ? 27 GLY B C 1 ATOM 1139 O O . GLY B 1 26 ? -42.769 9.276 -11.731 1.00 23.56 ? 27 GLY B O 1 ATOM 1140 N N . GLU B 1 27 ? -42.822 11.529 -11.469 1.00 23.87 ? 28 GLU B N 1 ATOM 1141 C CA . GLU B 1 27 ? -41.462 11.580 -10.872 1.00 22.97 ? 28 GLU B CA 1 ATOM 1142 C C . GLU B 1 27 ? -41.430 11.145 -9.403 1.00 24.04 ? 28 GLU B C 1 ATOM 1143 O O . GLU B 1 27 ? -42.329 11.510 -8.607 1.00 24.09 ? 28 GLU B O 1 ATOM 1144 C CB . GLU B 1 27 ? -40.819 12.997 -10.970 1.00 23.46 ? 28 GLU B CB 1 ATOM 1145 C CG . GLU B 1 27 ? -40.882 13.454 -12.456 1.00 29.81 ? 28 GLU B CG 1 ATOM 1146 C CD . GLU B 1 27 ? -40.635 14.965 -12.637 1.00 42.27 ? 28 GLU B CD 1 ATOM 1147 O OE1 . GLU B 1 27 ? -40.365 15.413 -13.793 1.00 40.69 ? 28 GLU B OE1 1 ATOM 1148 O OE2 . GLU B 1 27 ? -40.738 15.697 -11.618 1.00 42.83 ? 28 GLU B OE2 1 ATOM 1149 N N . PHE B 1 28 ? -40.315 10.552 -9.025 1.00 20.61 ? 29 PHE B N 1 ATOM 1150 C CA . PHE B 1 28 ? -40.062 10.275 -7.617 1.00 20.96 ? 29 PHE B CA 1 ATOM 1151 C C . PHE B 1 28 ? -38.588 10.238 -7.309 1.00 20.19 ? 29 PHE B C 1 ATOM 1152 O O . PHE B 1 28 ? -37.735 10.131 -8.204 1.00 19.49 ? 29 PHE B O 1 ATOM 1153 C CB . PHE B 1 28 ? -40.624 8.858 -7.190 1.00 20.71 ? 29 PHE B CB 1 ATOM 1154 C CG . PHE B 1 28 ? -40.113 7.704 -8.086 1.00 21.19 ? 29 PHE B CG 1 ATOM 1155 C CD1 . PHE B 1 28 ? -38.931 7.063 -7.776 1.00 18.09 ? 29 PHE B CD1 1 ATOM 1156 C CD2 . PHE B 1 28 ? -40.876 7.283 -9.214 1.00 17.05 ? 29 PHE B CD2 1 ATOM 1157 C CE1 . PHE B 1 28 ? -38.403 6.062 -8.602 1.00 18.34 ? 29 PHE B CE1 1 ATOM 1158 C CE2 . PHE B 1 28 ? -40.406 6.193 -10.034 1.00 17.83 ? 29 PHE B CE2 1 ATOM 1159 C CZ . PHE B 1 28 ? -39.170 5.599 -9.685 1.00 16.34 ? 29 PHE B CZ 1 ATOM 1160 N N . THR B 1 29 ? -38.300 10.366 -6.006 1.00 18.27 ? 30 THR B N 1 ATOM 1161 C CA . THR B 1 29 ? -36.922 10.290 -5.522 1.00 19.17 ? 30 THR B CA 1 ATOM 1162 C C . THR B 1 29 ? -36.882 9.154 -4.522 1.00 18.28 ? 30 THR B C 1 ATOM 1163 O O . THR B 1 29 ? -37.933 8.792 -3.967 1.00 22.09 ? 30 THR B O 1 ATOM 1164 C CB . THR B 1 29 ? -36.693 11.617 -4.825 1.00 21.91 ? 30 THR B CB 1 ATOM 1165 O OG1 . THR B 1 29 ? -36.632 12.570 -5.914 1.00 26.27 ? 30 THR B OG1 1 ATOM 1166 C CG2 . THR B 1 29 ? -35.316 11.579 -4.137 1.00 23.30 ? 30 THR B CG2 1 ATOM 1167 N N . GLY B 1 30 ? -35.698 8.632 -4.198 1.00 19.01 ? 31 GLY B N 1 ATOM 1168 C CA . GLY B 1 30 ? -35.681 7.511 -3.263 1.00 18.89 ? 31 GLY B CA 1 ATOM 1169 C C . GLY B 1 30 ? -34.312 7.348 -2.703 1.00 19.71 ? 31 GLY B C 1 ATOM 1170 O O . GLY B 1 30 ? -33.435 8.189 -2.954 1.00 17.76 ? 31 GLY B O 1 ATOM 1171 N N . THR B 1 31 ? -34.115 6.270 -1.930 1.00 17.99 ? 32 THR B N 1 ATOM 1172 C CA . THR B 1 31 ? -32.779 5.888 -1.469 1.00 16.89 ? 32 THR B CA 1 ATOM 1173 C C . THR B 1 31 ? -32.552 4.414 -1.700 1.00 16.13 ? 32 THR B C 1 ATOM 1174 O O . THR B 1 31 ? -33.536 3.652 -1.720 1.00 17.67 ? 32 THR B O 1 ATOM 1175 C CB . THR B 1 31 ? -32.551 6.176 0.027 1.00 17.04 ? 32 THR B CB 1 ATOM 1176 O OG1 . THR B 1 31 ? -33.412 5.278 0.770 1.00 20.71 ? 32 THR B OG1 1 ATOM 1177 C CG2 . THR B 1 31 ? -32.912 7.678 0.331 1.00 20.02 ? 32 THR B CG2 1 ATOM 1178 N N . TYR B 1 32 ? -31.295 4.015 -1.812 1.00 16.54 ? 33 TYR B N 1 ATOM 1179 C CA . TYR B 1 32 ? -31.016 2.606 -2.030 1.00 15.90 ? 33 TYR B CA 1 ATOM 1180 C C . TYR B 1 32 ? -29.837 2.246 -1.119 1.00 18.74 ? 33 TYR B C 1 ATOM 1181 O O . TYR B 1 32 ? -28.810 2.882 -1.168 1.00 18.94 ? 33 TYR B O 1 ATOM 1182 C CB . TYR B 1 32 ? -30.599 2.439 -3.487 1.00 15.50 ? 33 TYR B CB 1 ATOM 1183 C CG . TYR B 1 32 ? -30.707 0.988 -3.899 1.00 16.67 ? 33 TYR B CG 1 ATOM 1184 C CD1 . TYR B 1 32 ? -31.739 0.584 -4.728 1.00 19.25 ? 33 TYR B CD1 1 ATOM 1185 C CD2 . TYR B 1 32 ? -29.749 0.082 -3.538 1.00 16.65 ? 33 TYR B CD2 1 ATOM 1186 C CE1 . TYR B 1 32 ? -31.869 -0.805 -5.154 1.00 19.45 ? 33 TYR B CE1 1 ATOM 1187 C CE2 . TYR B 1 32 ? -29.842 -1.286 -3.949 1.00 15.58 ? 33 TYR B CE2 1 ATOM 1188 C CZ . TYR B 1 32 ? -30.925 -1.685 -4.804 1.00 21.35 ? 33 TYR B CZ 1 ATOM 1189 O OH . TYR B 1 32 ? -31.018 -3.043 -5.194 1.00 20.52 ? 33 TYR B OH 1 ATOM 1190 N N . ILE B 1 33 ? -30.014 1.231 -0.285 1.00 18.61 ? 34 ILE B N 1 ATOM 1191 C CA . ILE B 1 33 ? -28.847 0.699 0.463 1.00 18.15 ? 34 ILE B CA 1 ATOM 1192 C C . ILE B 1 33 ? -28.527 -0.737 0.055 1.00 18.04 ? 34 ILE B C 1 ATOM 1193 O O . ILE B 1 33 ? -29.305 -1.665 0.324 1.00 18.98 ? 34 ILE B O 1 ATOM 1194 C CB . ILE B 1 33 ? -29.115 0.832 2.026 1.00 20.63 ? 34 ILE B CB 1 ATOM 1195 C CG1 . ILE B 1 33 ? -27.979 0.195 2.830 1.00 22.52 ? 34 ILE B CG1 1 ATOM 1196 C CG2 . ILE B 1 33 ? -30.512 0.219 2.484 1.00 25.09 ? 34 ILE B CG2 1 ATOM 1197 C CD1 . ILE B 1 33 ? -26.696 0.905 2.594 1.00 27.88 ? 34 ILE B CD1 1 ATOM 1198 N N . THR B 1 34 ? -27.429 -0.884 -0.674 1.00 19.42 ? 35 THR B N 1 ATOM 1199 C CA . THR B 1 34 ? -27.167 -2.185 -1.267 1.00 20.01 ? 35 THR B CA 1 ATOM 1200 C C . THR B 1 34 ? -26.520 -3.067 -0.219 1.00 22.24 ? 35 THR B C 1 ATOM 1201 O O . THR B 1 34 ? -25.707 -2.574 0.604 1.00 22.44 ? 35 THR B O 1 ATOM 1202 C CB . THR B 1 34 ? -26.394 -2.032 -2.501 1.00 19.74 ? 35 THR B CB 1 ATOM 1203 O OG1 . THR B 1 34 ? -26.128 -3.309 -3.096 1.00 17.13 ? 35 THR B OG1 1 ATOM 1204 C CG2 . THR B 1 34 ? -24.978 -1.315 -2.269 1.00 20.83 ? 35 THR B CG2 1 ATOM 1205 N N . ALA B 1 35 ? -26.863 -4.364 -0.267 1.00 21.01 ? 36 ALA B N 1 ATOM 1206 C CA . ALA B 1 35 ? -26.129 -5.330 0.538 1.00 23.49 ? 36 ALA B CA 1 ATOM 1207 C C . ALA B 1 35 ? -24.858 -5.771 -0.104 1.00 25.93 ? 36 ALA B C 1 ATOM 1208 O O . ALA B 1 35 ? -24.019 -6.479 0.562 1.00 23.38 ? 36 ALA B O 1 ATOM 1209 C CB . ALA B 1 35 ? -27.035 -6.564 0.844 1.00 24.29 ? 36 ALA B CB 1 ATOM 1210 N N . VAL B 1 36 ? -24.664 -5.476 -1.406 1.00 22.27 ? 37 VAL B N 1 ATOM 1211 C CA . VAL B 1 36 ? -23.475 -6.019 -2.059 1.00 23.18 ? 37 VAL B CA 1 ATOM 1212 C C . VAL B 1 36 ? -22.874 -4.980 -2.977 1.00 23.87 ? 37 VAL B C 1 ATOM 1213 O O . VAL B 1 36 ? -23.542 -4.017 -3.379 1.00 22.32 ? 37 VAL B O 1 ATOM 1214 C CB . VAL B 1 36 ? -23.819 -7.270 -2.994 1.00 24.40 ? 37 VAL B CB 1 ATOM 1215 C CG1 . VAL B 1 36 ? -24.178 -8.563 -2.118 1.00 26.02 ? 37 VAL B CG1 1 ATOM 1216 C CG2 . VAL B 1 36 ? -24.996 -6.919 -3.975 1.00 23.38 ? 37 VAL B CG2 1 ATOM 1217 N N . THR B 1 37 ? -21.630 -5.181 -3.354 1.00 23.19 ? 38 THR B N 1 ATOM 1218 C CA . THR B 1 37 ? -20.956 -4.237 -4.211 1.00 24.62 ? 38 THR B CA 1 ATOM 1219 C C . THR B 1 37 ? -19.924 -4.932 -5.050 1.00 25.38 ? 38 THR B C 1 ATOM 1220 O O . THR B 1 37 ? -19.374 -5.990 -4.623 1.00 26.34 ? 38 THR B O 1 ATOM 1221 C CB . THR B 1 37 ? -20.262 -3.027 -3.404 1.00 25.32 ? 38 THR B CB 1 ATOM 1222 O OG1 . THR B 1 37 ? -19.651 -2.137 -4.320 1.00 28.43 ? 38 THR B OG1 1 ATOM 1223 C CG2 . THR B 1 37 ? -19.186 -3.505 -2.469 1.00 26.67 ? 38 THR B CG2 1 ATOM 1224 N N . ALA B 1 38 ? -19.558 -4.333 -6.183 1.00 24.77 ? 39 ALA B N 1 ATOM 1225 C CA . ALA B 1 38 ? -18.520 -4.934 -6.989 1.00 28.67 ? 39 ALA B CA 1 ATOM 1226 C C . ALA B 1 38 ? -17.215 -4.190 -6.595 1.00 31.44 ? 39 ALA B C 1 ATOM 1227 O O . ALA B 1 38 ? -16.207 -4.487 -7.172 1.00 32.51 ? 39 ALA B O 1 ATOM 1228 C CB . ALA B 1 38 ? -18.851 -4.787 -8.496 1.00 29.96 ? 39 ALA B CB 1 ATOM 1229 N N . THR B 1 39 ? -17.306 -3.195 -5.693 1.00 31.08 ? 40 THR B N 1 ATOM 1230 C CA . THR B 1 39 ? -16.171 -2.319 -5.292 1.00 34.21 ? 40 THR B CA 1 ATOM 1231 C C . THR B 1 39 ? -15.565 -2.932 -4.048 1.00 35.61 ? 40 THR B C 1 ATOM 1232 O O . THR B 1 39 ? -16.232 -3.693 -3.318 1.00 35.18 ? 40 THR B O 1 ATOM 1233 C CB . THR B 1 39 ? -16.658 -0.855 -5.047 1.00 34.94 ? 40 THR B CB 1 ATOM 1234 O OG1 . THR B 1 39 ? -15.578 0.060 -5.188 1.00 45.26 ? 40 THR B OG1 1 ATOM 1235 C CG2 . THR B 1 39 ? -17.152 -0.646 -3.721 1.00 32.48 ? 40 THR B CG2 1 ATOM 1236 N N . SER B 1 40 ? -14.334 -2.569 -3.745 1.00 36.18 ? 41 SER B N 1 ATOM 1237 C CA . SER B 1 40 ? -13.848 -2.861 -2.404 1.00 40.23 ? 41 SER B CA 1 ATOM 1238 C C . SER B 1 40 ? -14.071 -1.698 -1.411 1.00 41.25 ? 41 SER B C 1 ATOM 1239 O O . SER B 1 40 ? -13.455 -1.682 -0.319 1.00 43.22 ? 41 SER B O 1 ATOM 1240 C CB . SER B 1 40 ? -12.353 -3.143 -2.490 1.00 41.35 ? 41 SER B CB 1 ATOM 1241 O OG . SER B 1 40 ? -11.742 -2.021 -3.144 1.00 45.11 ? 41 SER B OG 1 ATOM 1242 N N . ASN B 1 41 ? -14.930 -0.740 -1.751 1.00 40.47 ? 42 ASN B N 1 ATOM 1243 C CA . ASN B 1 41 ? -15.231 0.439 -0.876 1.00 39.26 ? 42 ASN B CA 1 ATOM 1244 C C . ASN B 1 41 ? -16.345 0.132 0.101 1.00 38.91 ? 42 ASN B C 1 ATOM 1245 O O . ASN B 1 41 ? -17.167 -0.770 -0.144 1.00 39.27 ? 42 ASN B O 1 ATOM 1246 C CB . ASN B 1 41 ? -15.610 1.698 -1.709 1.00 39.25 ? 42 ASN B CB 1 ATOM 1247 C CG . ASN B 1 41 ? -14.490 2.100 -2.695 1.00 42.83 ? 42 ASN B CG 1 ATOM 1248 O OD1 . ASN B 1 41 ? -13.297 1.807 -2.439 1.00 41.50 ? 42 ASN B OD1 1 ATOM 1249 N ND2 . ASN B 1 41 ? -14.858 2.741 -3.831 1.00 42.76 ? 42 ASN B ND2 1 ATOM 1250 N N . GLU B 1 42 ? -16.378 0.879 1.193 1.00 36.86 ? 43 GLU B N 1 ATOM 1251 C CA . GLU B 1 42 ? -17.435 0.786 2.167 1.00 36.27 ? 43 GLU B CA 1 ATOM 1252 C C . GLU B 1 42 ? -18.755 1.353 1.574 1.00 32.76 ? 43 GLU B C 1 ATOM 1253 O O . GLU B 1 42 ? -18.831 2.470 1.080 1.00 30.94 ? 43 GLU B O 1 ATOM 1254 C CB . GLU B 1 42 ? -17.041 1.550 3.470 1.00 37.65 ? 43 GLU B CB 1 ATOM 1255 C CG . GLU B 1 42 ? -18.236 1.720 4.440 1.00 42.84 ? 43 GLU B CG 1 ATOM 1256 C CD . GLU B 1 42 ? -17.828 2.193 5.881 1.00 51.13 ? 43 GLU B CD 1 ATOM 1257 O OE1 . GLU B 1 42 ? -16.716 2.763 6.075 1.00 52.22 ? 43 GLU B OE1 1 ATOM 1258 O OE2 . GLU B 1 42 ? -18.647 1.971 6.808 1.00 53.62 ? 43 GLU B OE2 1 ATOM 1259 N N . ILE B 1 43 ? -19.799 0.561 1.679 1.00 30.35 ? 44 ILE B N 1 ATOM 1260 C CA . ILE B 1 43 ? -21.115 0.911 1.123 1.00 27.31 ? 44 ILE B CA 1 ATOM 1261 C C . ILE B 1 43 ? -21.784 2.109 1.897 1.00 26.75 ? 44 ILE B C 1 ATOM 1262 O O . ILE B 1 43 ? -21.673 2.207 3.154 1.00 26.59 ? 44 ILE B O 1 ATOM 1263 C CB . ILE B 1 43 ? -21.996 -0.372 1.208 1.00 26.17 ? 44 ILE B CB 1 ATOM 1264 C CG1 . ILE B 1 43 ? -21.480 -1.487 0.232 1.00 24.42 ? 44 ILE B CG1 1 ATOM 1265 C CG2 . ILE B 1 43 ? -23.402 0.011 1.039 1.00 26.71 ? 44 ILE B CG2 1 ATOM 1266 C CD1 . ILE B 1 43 ? -22.056 -2.903 0.503 1.00 27.56 ? 44 ILE B CD1 1 ATOM 1267 N N . LYS B 1 44 ? -22.386 3.063 1.186 1.00 23.20 ? 45 LYS B N 1 ATOM 1268 C CA . LYS B 1 44 ? -23.171 4.119 1.795 1.00 23.77 ? 45 LYS B CA 1 ATOM 1269 C C . LYS B 1 44 ? -24.505 4.143 1.097 1.00 22.87 ? 45 LYS B C 1 ATOM 1270 O O . LYS B 1 44 ? -24.570 3.946 -0.117 1.00 22.58 ? 45 LYS B O 1 ATOM 1271 C CB . LYS B 1 44 ? -22.528 5.507 1.567 1.00 24.73 ? 45 LYS B CB 1 ATOM 1272 C CG . LYS B 1 44 ? -21.003 5.552 2.058 1.00 31.37 ? 45 LYS B CG 1 ATOM 1273 C CD . LYS B 1 44 ? -20.210 6.710 1.379 1.00 36.78 ? 45 LYS B CD 1 ATOM 1274 C CE . LYS B 1 44 ? -19.949 7.937 2.296 1.00 49.59 ? 45 LYS B CE 1 ATOM 1275 N NZ . LYS B 1 44 ? -21.092 8.976 2.283 1.00 54.36 ? 45 LYS B NZ 1 ATOM 1276 N N . GLU B 1 45 ? -25.521 4.463 1.854 1.00 22.17 ? 46 GLU B N 1 ATOM 1277 C CA . GLU B 1 45 ? -26.819 4.713 1.276 1.00 20.71 ? 46 GLU B CA 1 ATOM 1278 C C . GLU B 1 45 ? -26.740 5.748 0.154 1.00 23.16 ? 46 GLU B C 1 ATOM 1279 O O . GLU B 1 45 ? -26.010 6.775 0.299 1.00 23.74 ? 46 GLU B O 1 ATOM 1280 C CB . GLU B 1 45 ? -27.738 5.227 2.368 1.00 23.41 ? 46 GLU B CB 1 ATOM 1281 C CG . GLU B 1 45 ? -29.215 5.272 1.944 1.00 23.58 ? 46 GLU B CG 1 ATOM 1282 C CD . GLU B 1 45 ? -30.156 5.541 3.169 1.00 33.45 ? 46 GLU B CD 1 ATOM 1283 O OE1 . GLU B 1 45 ? -30.222 6.727 3.523 1.00 35.29 ? 46 GLU B OE1 1 ATOM 1284 O OE2 . GLU B 1 45 ? -30.851 4.582 3.675 1.00 36.61 ? 46 GLU B OE2 1 ATOM 1285 N N . SER B 1 46 ? -27.486 5.553 -0.952 1.00 18.11 ? 47 SER B N 1 ATOM 1286 C CA . SER B 1 46 ? -27.258 6.448 -2.101 1.00 18.52 ? 47 SER B CA 1 ATOM 1287 C C . SER B 1 46 ? -28.595 6.849 -2.599 1.00 19.65 ? 47 SER B C 1 ATOM 1288 O O . SER B 1 46 ? -29.581 6.123 -2.462 1.00 19.70 ? 47 SER B O 1 ATOM 1289 C CB . SER B 1 46 ? -26.554 5.674 -3.224 1.00 19.45 ? 47 SER B CB 1 ATOM 1290 O OG . SER B 1 46 ? -25.212 5.269 -2.721 1.00 19.20 ? 47 SER B OG 1 ATOM 1291 N N . PRO B 1 47 ? -28.661 8.014 -3.237 1.00 18.79 ? 48 PRO B N 1 ATOM 1292 C CA . PRO B 1 47 ? -29.946 8.464 -3.730 1.00 17.46 ? 48 PRO B CA 1 ATOM 1293 C C . PRO B 1 47 ? -30.367 7.852 -5.096 1.00 16.67 ? 48 PRO B C 1 ATOM 1294 O O . PRO B 1 47 ? -29.516 7.408 -5.877 1.00 16.88 ? 48 PRO B O 1 ATOM 1295 C CB . PRO B 1 47 ? -29.665 9.997 -3.930 1.00 20.79 ? 48 PRO B CB 1 ATOM 1296 C CG . PRO B 1 47 ? -28.231 10.123 -4.302 1.00 20.09 ? 48 PRO B CG 1 ATOM 1297 C CD . PRO B 1 47 ? -27.546 8.976 -3.514 1.00 17.91 ? 48 PRO B CD 1 ATOM 1298 N N . LEU B 1 48 ? -31.658 7.835 -5.353 1.00 16.65 ? 49 LEU B N 1 ATOM 1299 C CA . LEU B 1 48 ? -32.148 7.380 -6.707 1.00 15.27 ? 49 LEU B CA 1 ATOM 1300 C C . LEU B 1 48 ? -33.220 8.348 -7.131 1.00 16.05 ? 49 LEU B C 1 ATOM 1301 O O . LEU B 1 48 ? -33.893 9.065 -6.312 1.00 18.49 ? 49 LEU B O 1 ATOM 1302 C CB . LEU B 1 48 ? -32.718 5.921 -6.603 1.00 15.93 ? 49 LEU B CB 1 ATOM 1303 C CG . LEU B 1 48 ? -34.043 5.666 -5.799 1.00 16.79 ? 49 LEU B CG 1 ATOM 1304 C CD1 . LEU B 1 48 ? -35.350 5.979 -6.641 1.00 16.88 ? 49 LEU B CD1 1 ATOM 1305 C CD2 . LEU B 1 48 ? -34.061 4.241 -5.166 1.00 17.15 ? 49 LEU B CD2 1 ATOM 1306 N N . HIS B 1 49 ? -33.406 8.417 -8.429 1.00 16.27 ? 50 HIS B N 1 ATOM 1307 C CA . HIS B 1 49 ? -34.426 9.268 -9.003 1.00 16.54 ? 50 HIS B CA 1 ATOM 1308 C C . HIS B 1 49 ? -34.959 8.582 -10.263 1.00 17.15 ? 50 HIS B C 1 ATOM 1309 O O . HIS B 1 49 ? -34.212 8.021 -11.049 1.00 18.44 ? 50 HIS B O 1 ATOM 1310 C CB . HIS B 1 49 ? -33.745 10.598 -9.479 1.00 18.79 ? 50 HIS B CB 1 ATOM 1311 C CG . HIS B 1 49 ? -33.021 11.351 -8.380 1.00 25.29 ? 50 HIS B CG 1 ATOM 1312 N ND1 . HIS B 1 49 ? -31.684 11.125 -8.066 1.00 24.82 ? 50 HIS B ND1 1 ATOM 1313 C CD2 . HIS B 1 49 ? -33.448 12.320 -7.521 1.00 26.99 ? 50 HIS B CD2 1 ATOM 1314 C CE1 . HIS B 1 49 ? -31.338 11.886 -7.037 1.00 25.95 ? 50 HIS B CE1 1 ATOM 1315 N NE2 . HIS B 1 49 ? -32.391 12.576 -6.657 1.00 25.45 ? 50 HIS B NE2 1 ATOM 1316 N N . GLY B 1 50 ? -36.264 8.667 -10.454 1.00 17.12 ? 51 GLY B N 1 ATOM 1317 C CA . GLY B 1 50 ? -36.872 8.022 -11.657 1.00 20.08 ? 51 GLY B CA 1 ATOM 1318 C C . GLY B 1 50 ? -38.279 8.473 -11.930 1.00 19.53 ? 51 GLY B C 1 ATOM 1319 O O . GLY B 1 50 ? -38.769 9.539 -11.379 1.00 19.67 ? 51 GLY B O 1 ATOM 1320 N N . THR B 1 51 ? -38.957 7.715 -12.787 1.00 18.77 ? 52 THR B N 1 ATOM 1321 C CA . THR B 1 51 ? -40.321 8.048 -13.182 1.00 21.45 ? 52 THR B CA 1 ATOM 1322 C C . THR B 1 51 ? -41.101 6.786 -13.368 1.00 21.68 ? 52 THR B C 1 ATOM 1323 O O . THR B 1 51 ? -40.521 5.730 -13.728 1.00 18.80 ? 52 THR B O 1 ATOM 1324 C CB . THR B 1 51 ? -40.108 8.854 -14.506 1.00 23.71 ? 52 THR B CB 1 ATOM 1325 O OG1 . THR B 1 51 ? -41.043 9.901 -14.733 1.00 37.82 ? 52 THR B OG1 1 ATOM 1326 C CG2 . THR B 1 51 ? -39.734 8.136 -15.625 1.00 15.78 ? 52 THR B CG2 1 ATOM 1327 N N . GLN B 1 52 ? -42.404 6.902 -13.156 1.00 19.09 ? 53 GLN B N 1 ATOM 1328 C CA . GLN B 1 52 ? -43.384 5.877 -13.387 1.00 20.04 ? 53 GLN B CA 1 ATOM 1329 C C . GLN B 1 52 ? -44.090 6.365 -14.663 1.00 21.96 ? 53 GLN B C 1 ATOM 1330 O O . GLN B 1 52 ? -44.383 7.602 -14.805 1.00 22.82 ? 53 GLN B O 1 ATOM 1331 C CB . GLN B 1 52 ? -44.366 5.958 -12.169 1.00 24.26 ? 53 GLN B CB 1 ATOM 1332 C CG . GLN B 1 52 ? -45.569 5.137 -12.348 1.00 28.91 ? 53 GLN B CG 1 ATOM 1333 C CD . GLN B 1 52 ? -46.517 5.279 -11.161 1.00 28.56 ? 53 GLN B CD 1 ATOM 1334 O OE1 . GLN B 1 52 ? -46.076 5.321 -10.033 1.00 38.73 ? 53 GLN B OE1 1 ATOM 1335 N NE2 . GLN B 1 52 ? -47.768 5.274 -11.433 1.00 37.22 ? 53 GLN B NE2 1 ATOM 1336 N N . ASN B 1 53 ? -44.456 5.415 -15.523 1.00 21.91 ? 54 ASN B N 1 ATOM 1337 C CA . ASN B 1 53 ? -45.122 5.733 -16.762 1.00 20.64 ? 54 ASN B CA 1 ATOM 1338 C C . ASN B 1 53 ? -46.620 5.936 -16.382 1.00 25.32 ? 54 ASN B C 1 ATOM 1339 O O . ASN B 1 53 ? -47.193 5.083 -15.689 1.00 26.11 ? 54 ASN B O 1 ATOM 1340 C CB . ASN B 1 53 ? -44.928 4.611 -17.767 1.00 22.61 ? 54 ASN B CB 1 ATOM 1341 C CG . ASN B 1 53 ? -45.559 4.938 -19.113 1.00 24.38 ? 54 ASN B CG 1 ATOM 1342 O OD1 . ASN B 1 53 ? -44.868 5.265 -20.148 1.00 26.83 ? 54 ASN B OD1 1 ATOM 1343 N ND2 . ASN B 1 53 ? -46.884 4.933 -19.072 1.00 19.56 ? 54 ASN B ND2 1 ATOM 1344 N N . THR B 1 54 ? -47.230 7.044 -16.828 1.00 26.88 ? 55 THR B N 1 ATOM 1345 C CA . THR B 1 54 ? -48.656 7.227 -16.473 1.00 29.30 ? 55 THR B CA 1 ATOM 1346 C C . THR B 1 54 ? -49.545 7.210 -17.686 1.00 32.47 ? 55 THR B C 1 ATOM 1347 O O . THR B 1 54 ? -50.692 7.776 -17.621 1.00 32.83 ? 55 THR B O 1 ATOM 1348 C CB . THR B 1 54 ? -48.879 8.603 -15.772 1.00 29.23 ? 55 THR B CB 1 ATOM 1349 O OG1 . THR B 1 54 ? -48.277 9.589 -16.607 1.00 32.70 ? 55 THR B OG1 1 ATOM 1350 C CG2 . THR B 1 54 ? -48.228 8.633 -14.403 1.00 31.66 ? 55 THR B CG2 1 ATOM 1351 N N . ILE B 1 55 ? -49.087 6.655 -18.801 1.00 29.48 ? 56 ILE B N 1 ATOM 1352 C CA . ILE B 1 55 ? -49.948 6.632 -19.987 1.00 32.04 ? 56 ILE B CA 1 ATOM 1353 C C . ILE B 1 55 ? -51.044 5.617 -19.744 1.00 33.61 ? 56 ILE B C 1 ATOM 1354 O O . ILE B 1 55 ? -50.817 4.494 -19.321 1.00 30.10 ? 56 ILE B O 1 ATOM 1355 C CB . ILE B 1 55 ? -49.159 6.314 -21.270 1.00 32.50 ? 56 ILE B CB 1 ATOM 1356 C CG1 . ILE B 1 55 ? -48.145 7.427 -21.543 1.00 30.74 ? 56 ILE B CG1 1 ATOM 1357 C CG2 . ILE B 1 55 ? -50.127 6.089 -22.546 1.00 34.31 ? 56 ILE B CG2 1 ATOM 1358 C CD1 . ILE B 1 55 ? -48.776 8.964 -21.650 1.00 34.04 ? 56 ILE B CD1 1 ATOM 1359 N N . ASN B 1 56 ? -52.300 6.047 -19.995 1.00 36.76 ? 57 ASN B N 1 ATOM 1360 C CA . ASN B 1 56 ? -53.503 5.204 -19.777 1.00 37.75 ? 57 ASN B CA 1 ATOM 1361 C C . ASN B 1 56 ? -53.699 4.852 -18.313 1.00 37.66 ? 57 ASN B C 1 ATOM 1362 O O . ASN B 1 56 ? -54.402 3.920 -18.034 1.00 37.56 ? 57 ASN B O 1 ATOM 1363 C CB . ASN B 1 56 ? -53.531 3.937 -20.690 1.00 38.20 ? 57 ASN B CB 1 ATOM 1364 C CG . ASN B 1 56 ? -53.471 4.302 -22.155 1.00 40.77 ? 57 ASN B CG 1 ATOM 1365 O OD1 . ASN B 1 56 ? -53.812 5.433 -22.527 1.00 45.31 ? 57 ASN B OD1 1 ATOM 1366 N ND2 . ASN B 1 56 ? -52.943 3.400 -22.982 1.00 41.63 ? 57 ASN B ND2 1 ATOM 1367 N N . LYS B 1 57 ? -53.078 5.610 -17.408 1.00 39.07 ? 58 LYS B N 1 ATOM 1368 C CA . LYS B 1 57 ? -53.103 5.365 -15.948 1.00 40.04 ? 58 LYS B CA 1 ATOM 1369 C C . LYS B 1 57 ? -53.212 3.869 -15.563 1.00 39.03 ? 58 LYS B C 1 ATOM 1370 O O . LYS B 1 57 ? -54.083 3.434 -14.823 1.00 37.26 ? 58 LYS B O 1 ATOM 1371 C CB . LYS B 1 57 ? -54.163 6.236 -15.247 1.00 42.70 ? 58 LYS B CB 1 ATOM 1372 C CG . LYS B 1 57 ? -53.791 7.709 -15.367 1.00 48.82 ? 58 LYS B CG 1 ATOM 1373 C CD . LYS B 1 57 ? -54.961 8.662 -15.095 1.00 58.26 ? 58 LYS B CD 1 ATOM 1374 C CE . LYS B 1 57 ? -54.922 9.771 -16.200 1.00 62.56 ? 58 LYS B CE 1 ATOM 1375 N NZ . LYS B 1 57 ? -55.401 11.106 -15.715 1.00 66.56 ? 58 LYS B NZ 1 ATOM 1376 N N . ARG B 1 58 ? -52.304 3.062 -16.111 1.00 35.78 ? 59 ARG B N 1 ATOM 1377 C CA . ARG B 1 58 ? -52.320 1.623 -15.830 1.00 34.97 ? 59 ARG B CA 1 ATOM 1378 C C . ARG B 1 58 ? -52.198 1.386 -14.368 1.00 32.72 ? 59 ARG B C 1 ATOM 1379 O O . ARG B 1 58 ? -51.453 2.091 -13.685 1.00 32.32 ? 59 ARG B O 1 ATOM 1380 C CB . ARG B 1 58 ? -51.183 0.932 -16.598 1.00 34.81 ? 59 ARG B CB 1 ATOM 1381 C CG . ARG B 1 58 ? -51.296 1.217 -18.080 1.00 39.42 ? 59 ARG B CG 1 ATOM 1382 C CD . ARG B 1 58 ? -51.012 -0.045 -18.817 1.00 51.43 ? 59 ARG B CD 1 ATOM 1383 N NE . ARG B 1 58 ? -52.160 -0.940 -19.039 1.00 56.11 ? 59 ARG B NE 1 ATOM 1384 C CZ . ARG B 1 58 ? -52.047 -2.207 -19.484 1.00 56.02 ? 59 ARG B CZ 1 ATOM 1385 N NH1 . ARG B 1 58 ? -50.842 -2.765 -19.703 1.00 55.89 ? 59 ARG B NH1 1 ATOM 1386 N NH2 . ARG B 1 58 ? -53.133 -2.956 -19.658 1.00 52.98 ? 59 ARG B NH2 1 ATOM 1387 N N . THR B 1 59 ? -52.915 0.377 -13.891 1.00 30.70 ? 60 THR B N 1 ATOM 1388 C CA . THR B 1 59 ? -52.847 -0.045 -12.551 1.00 32.08 ? 60 THR B CA 1 ATOM 1389 C C . THR B 1 59 ? -51.568 -0.798 -12.246 1.00 29.71 ? 60 THR B C 1 ATOM 1390 O O . THR B 1 59 ? -51.162 -0.816 -11.098 1.00 28.55 ? 60 THR B O 1 ATOM 1391 C CB . THR B 1 59 ? -54.061 -0.880 -12.096 1.00 35.01 ? 60 THR B CB 1 ATOM 1392 O OG1 . THR B 1 59 ? -54.027 -2.187 -12.626 1.00 36.42 ? 60 THR B OG1 1 ATOM 1393 C CG2 . THR B 1 59 ? -55.381 -0.192 -12.504 1.00 36.38 ? 60 THR B CG2 1 ATOM 1394 N N . GLN B 1 60 ? -50.904 -1.329 -13.290 1.00 27.30 ? 61 GLN B N 1 ATOM 1395 C CA . GLN B 1 60 ? -49.610 -2.018 -13.047 1.00 24.68 ? 61 GLN B CA 1 ATOM 1396 C C . GLN B 1 60 ? -48.573 -1.317 -13.911 1.00 23.22 ? 61 GLN B C 1 ATOM 1397 O O . GLN B 1 60 ? -48.259 -1.791 -15.005 1.00 27.30 ? 61 GLN B O 1 ATOM 1398 C CB . GLN B 1 60 ? -49.716 -3.486 -13.401 1.00 22.72 ? 61 GLN B CB 1 ATOM 1399 C CG . GLN B 1 60 ? -50.584 -4.270 -12.376 1.00 24.49 ? 61 GLN B CG 1 ATOM 1400 C CD . GLN B 1 60 ? -50.713 -5.740 -12.597 1.00 22.15 ? 61 GLN B CD 1 ATOM 1401 O OE1 . GLN B 1 60 ? -50.698 -6.485 -11.619 1.00 24.73 ? 61 GLN B OE1 1 ATOM 1402 N NE2 . GLN B 1 60 ? -50.938 -6.180 -13.871 1.00 25.05 ? 61 GLN B NE2 1 ATOM 1403 N N . PRO B 1 61 ? -48.118 -0.099 -13.492 1.00 20.92 ? 62 PRO B N 1 ATOM 1404 C CA . PRO B 1 61 ? -47.347 0.766 -14.343 1.00 20.35 ? 62 PRO B CA 1 ATOM 1405 C C . PRO B 1 61 ? -45.880 0.206 -14.560 1.00 18.98 ? 62 PRO B C 1 ATOM 1406 O O . PRO B 1 61 ? -45.328 -0.390 -13.611 1.00 19.24 ? 62 PRO B O 1 ATOM 1407 C CB . PRO B 1 61 ? -47.211 2.060 -13.543 1.00 20.85 ? 62 PRO B CB 1 ATOM 1408 C CG . PRO B 1 61 ? -47.402 1.604 -12.073 1.00 22.32 ? 62 PRO B CG 1 ATOM 1409 C CD . PRO B 1 61 ? -48.415 0.519 -12.195 1.00 22.30 ? 62 PRO B CD 1 ATOM 1410 N N . THR B 1 62 ? -45.358 0.494 -15.726 1.00 17.81 ? 63 THR B N 1 ATOM 1411 C CA . THR B 1 62 ? -43.815 0.468 -15.860 1.00 18.84 ? 63 THR B CA 1 ATOM 1412 C C . THR B 1 62 ? -43.149 1.625 -15.197 1.00 19.94 ? 63 THR B C 1 ATOM 1413 O O . THR B 1 62 ? -43.740 2.702 -14.890 1.00 19.54 ? 63 THR B O 1 ATOM 1414 C CB . THR B 1 62 ? -43.330 0.363 -17.340 1.00 16.06 ? 63 THR B CB 1 ATOM 1415 O OG1 . THR B 1 62 ? -43.529 1.581 -18.038 1.00 17.02 ? 63 THR B OG1 1 ATOM 1416 C CG2 . THR B 1 62 ? -44.015 -0.824 -17.987 1.00 19.55 ? 63 THR B CG2 1 ATOM 1417 N N . PHE B 1 63 ? -41.817 1.510 -14.995 1.00 17.34 ? 64 PHE B N 1 ATOM 1418 C CA . PHE B 1 63 ? -41.096 2.593 -14.348 1.00 18.50 ? 64 PHE B CA 1 ATOM 1419 C C . PHE B 1 63 ? -39.586 2.359 -14.594 1.00 17.69 ? 64 PHE B C 1 ATOM 1420 O O . PHE B 1 63 ? -39.225 1.263 -15.051 1.00 16.83 ? 64 PHE B O 1 ATOM 1421 C CB . PHE B 1 63 ? -41.302 2.627 -12.815 1.00 19.58 ? 64 PHE B CB 1 ATOM 1422 C CG . PHE B 1 63 ? -40.879 1.360 -12.163 1.00 17.99 ? 64 PHE B CG 1 ATOM 1423 C CD1 . PHE B 1 63 ? -39.574 1.225 -11.653 1.00 19.71 ? 64 PHE B CD1 1 ATOM 1424 C CD2 . PHE B 1 63 ? -41.804 0.336 -11.934 1.00 17.57 ? 64 PHE B CD2 1 ATOM 1425 C CE1 . PHE B 1 63 ? -39.179 0.007 -11.044 1.00 21.99 ? 64 PHE B CE1 1 ATOM 1426 C CE2 . PHE B 1 63 ? -41.388 -0.872 -11.261 1.00 20.77 ? 64 PHE B CE2 1 ATOM 1427 C CZ . PHE B 1 63 ? -40.105 -1.017 -10.874 1.00 19.70 ? 64 PHE B CZ 1 ATOM 1428 N N . GLY B 1 64 ? -38.820 3.367 -14.299 1.00 17.23 ? 65 GLY B N 1 ATOM 1429 C CA . GLY B 1 64 ? -37.312 3.242 -14.329 1.00 18.29 ? 65 GLY B CA 1 ATOM 1430 C C . GLY B 1 64 ? -36.767 4.202 -13.277 1.00 18.75 ? 65 GLY B C 1 ATOM 1431 O O . GLY B 1 64 ? -37.345 5.311 -13.004 1.00 19.72 ? 65 GLY B O 1 ATOM 1432 N N . PHE B 1 65 ? -35.530 3.876 -12.814 1.00 15.20 ? 66 PHE B N 1 ATOM 1433 C CA . PHE B 1 65 ? -34.864 4.893 -11.990 1.00 15.68 ? 66 PHE B CA 1 ATOM 1434 C C . PHE B 1 65 ? -33.408 4.690 -12.066 1.00 13.79 ? 66 PHE B C 1 ATOM 1435 O O . PHE B 1 65 ? -32.950 3.634 -12.600 1.00 13.42 ? 66 PHE B O 1 ATOM 1436 C CB . PHE B 1 65 ? -35.376 4.820 -10.546 1.00 15.88 ? 66 PHE B CB 1 ATOM 1437 C CG . PHE B 1 65 ? -35.217 3.423 -9.870 1.00 16.48 ? 66 PHE B CG 1 ATOM 1438 C CD1 . PHE B 1 65 ? -34.015 3.129 -9.235 1.00 12.97 ? 66 PHE B CD1 1 ATOM 1439 C CD2 . PHE B 1 65 ? -36.290 2.497 -9.800 1.00 16.21 ? 66 PHE B CD2 1 ATOM 1440 C CE1 . PHE B 1 65 ? -33.835 1.874 -8.518 1.00 17.29 ? 66 PHE B CE1 1 ATOM 1441 C CE2 . PHE B 1 65 ? -36.112 1.299 -9.094 1.00 15.69 ? 66 PHE B CE2 1 ATOM 1442 C CZ . PHE B 1 65 ? -34.924 0.985 -8.420 1.00 15.03 ? 66 PHE B CZ 1 ATOM 1443 N N . THR B 1 66 ? -32.657 5.686 -11.638 1.00 14.67 ? 67 THR B N 1 ATOM 1444 C CA . THR B 1 66 ? -31.197 5.621 -11.719 1.00 14.30 ? 67 THR B CA 1 ATOM 1445 C C . THR B 1 66 ? -30.690 5.730 -10.273 1.00 17.43 ? 67 THR B C 1 ATOM 1446 O O . THR B 1 66 ? -31.182 6.628 -9.537 1.00 16.71 ? 67 THR B O 1 ATOM 1447 C CB . THR B 1 66 ? -30.667 6.888 -12.489 1.00 16.16 ? 67 THR B CB 1 ATOM 1448 O OG1 . THR B 1 66 ? -31.208 6.848 -13.834 1.00 15.45 ? 67 THR B OG1 1 ATOM 1449 C CG2 . THR B 1 66 ? -29.119 6.871 -12.503 1.00 14.58 ? 67 THR B CG2 1 ATOM 1450 N N . VAL B 1 67 ? -29.749 4.874 -9.921 1.00 15.34 ? 68 VAL B N 1 ATOM 1451 C CA . VAL B 1 67 ? -29.133 4.937 -8.544 1.00 14.90 ? 68 VAL B CA 1 ATOM 1452 C C . VAL B 1 67 ? -27.783 5.594 -8.722 1.00 15.71 ? 68 VAL B C 1 ATOM 1453 O O . VAL B 1 67 ? -26.909 5.118 -9.473 1.00 16.20 ? 68 VAL B O 1 ATOM 1454 C CB . VAL B 1 67 ? -28.948 3.541 -7.927 1.00 14.71 ? 68 VAL B CB 1 ATOM 1455 C CG1 . VAL B 1 67 ? -28.229 3.772 -6.515 1.00 16.86 ? 68 VAL B CG1 1 ATOM 1456 C CG2 . VAL B 1 67 ? -30.270 2.906 -7.743 1.00 16.76 ? 68 VAL B CG2 1 ATOM 1457 N N . ASN B 1 68 ? -27.586 6.726 -8.006 1.00 15.92 ? 69 ASN B N 1 ATOM 1458 C CA . ASN B 1 68 ? -26.381 7.540 -8.153 1.00 17.54 ? 69 ASN B CA 1 ATOM 1459 C C . ASN B 1 68 ? -25.492 7.154 -6.971 1.00 19.54 ? 69 ASN B C 1 ATOM 1460 O O . ASN B 1 68 ? -25.555 7.783 -5.909 1.00 19.00 ? 69 ASN B O 1 ATOM 1461 C CB . ASN B 1 68 ? -26.808 9.013 -8.156 1.00 17.90 ? 69 ASN B CB 1 ATOM 1462 C CG . ASN B 1 68 ? -25.606 9.958 -8.263 1.00 24.00 ? 69 ASN B CG 1 ATOM 1463 O OD1 . ASN B 1 68 ? -25.691 11.147 -7.831 1.00 29.94 ? 69 ASN B OD1 1 ATOM 1464 N ND2 . ASN B 1 68 ? -24.545 9.467 -8.830 1.00 17.92 ? 69 ASN B ND2 1 ATOM 1465 N N . TRP B 1 69 ? -24.693 6.103 -7.147 1.00 17.97 ? 70 TRP B N 1 ATOM 1466 C CA . TRP B 1 69 ? -23.880 5.539 -6.004 1.00 19.37 ? 70 TRP B CA 1 ATOM 1467 C C . TRP B 1 69 ? -22.933 6.582 -5.392 1.00 20.87 ? 70 TRP B C 1 ATOM 1468 O O . TRP B 1 69 ? -22.228 7.305 -6.122 1.00 20.51 ? 70 TRP B O 1 ATOM 1469 C CB . TRP B 1 69 ? -23.071 4.324 -6.492 1.00 20.27 ? 70 TRP B CB 1 ATOM 1470 C CG . TRP B 1 69 ? -23.960 3.241 -7.047 1.00 18.24 ? 70 TRP B CG 1 ATOM 1471 C CD1 . TRP B 1 69 ? -24.025 2.856 -8.395 1.00 18.86 ? 70 TRP B CD1 1 ATOM 1472 C CD2 . TRP B 1 69 ? -24.876 2.428 -6.337 1.00 17.22 ? 70 TRP B CD2 1 ATOM 1473 N NE1 . TRP B 1 69 ? -24.970 1.813 -8.533 1.00 16.02 ? 70 TRP B NE1 1 ATOM 1474 C CE2 . TRP B 1 69 ? -25.541 1.583 -7.300 1.00 17.56 ? 70 TRP B CE2 1 ATOM 1475 C CE3 . TRP B 1 69 ? -25.277 2.338 -4.992 1.00 18.14 ? 70 TRP B CE3 1 ATOM 1476 C CZ2 . TRP B 1 69 ? -26.405 0.609 -6.915 1.00 17.24 ? 70 TRP B CZ2 1 ATOM 1477 C CZ3 . TRP B 1 69 ? -26.219 1.357 -4.608 1.00 19.00 ? 70 TRP B CZ3 1 ATOM 1478 C CH2 . TRP B 1 69 ? -26.796 0.532 -5.566 1.00 19.58 ? 70 TRP B CH2 1 ATOM 1479 N N . LYS B 1 70 ? -22.900 6.608 -4.065 1.00 21.75 ? 71 LYS B N 1 ATOM 1480 C CA . LYS B 1 70 ? -22.126 7.634 -3.383 1.00 23.81 ? 71 LYS B CA 1 ATOM 1481 C C . LYS B 1 70 ? -20.790 7.068 -2.908 1.00 24.83 ? 71 LYS B C 1 ATOM 1482 O O . LYS B 1 70 ? -19.998 7.831 -2.266 1.00 27.14 ? 71 LYS B O 1 ATOM 1483 C CB . LYS B 1 70 ? -22.922 8.188 -2.197 1.00 25.17 ? 71 LYS B CB 1 ATOM 1484 C CG . LYS B 1 70 ? -24.160 9.073 -2.568 1.00 28.30 ? 71 LYS B CG 1 ATOM 1485 C CD . LYS B 1 70 ? -24.050 9.848 -4.031 1.00 32.67 ? 71 LYS B CD 1 ATOM 1486 C CE . LYS B 1 70 ? -23.124 11.123 -4.057 1.00 38.58 ? 71 LYS B CE 1 ATOM 1487 N NZ . LYS B 1 70 ? -22.712 11.857 -5.399 1.00 30.53 ? 71 LYS B NZ 1 ATOM 1488 N N . PHE B 1 71 ? -20.451 5.835 -3.245 1.00 20.63 ? 72 PHE B N 1 ATOM 1489 C CA . PHE B 1 71 ? -19.245 5.188 -2.755 1.00 21.72 ? 72 PHE B CA 1 ATOM 1490 C C . PHE B 1 71 ? -18.449 4.579 -3.904 1.00 23.50 ? 72 PHE B C 1 ATOM 1491 O O . PHE B 1 71 ? -17.520 3.804 -3.659 1.00 23.81 ? 72 PHE B O 1 ATOM 1492 C CB . PHE B 1 71 ? -19.571 4.136 -1.643 1.00 21.06 ? 72 PHE B CB 1 ATOM 1493 C CG . PHE B 1 71 ? -20.552 3.031 -2.119 1.00 20.22 ? 72 PHE B CG 1 ATOM 1494 C CD1 . PHE B 1 71 ? -21.894 3.261 -2.081 1.00 21.54 ? 72 PHE B CD1 1 ATOM 1495 C CD2 . PHE B 1 71 ? -20.075 1.854 -2.648 1.00 21.85 ? 72 PHE B CD2 1 ATOM 1496 C CE1 . PHE B 1 71 ? -22.817 2.252 -2.465 1.00 19.90 ? 72 PHE B CE1 1 ATOM 1497 C CE2 . PHE B 1 71 ? -20.953 0.794 -3.097 1.00 23.12 ? 72 PHE B CE2 1 ATOM 1498 C CZ . PHE B 1 71 ? -22.346 1.055 -3.006 1.00 19.67 ? 72 PHE B CZ 1 ATOM 1499 N N . SER B 1 72 ? -18.887 4.808 -5.189 1.00 21.24 ? 73 SER B N 1 ATOM 1500 C CA . SER B 1 72 ? -18.125 4.305 -6.317 1.00 20.94 ? 73 SER B CA 1 ATOM 1501 C C . SER B 1 72 ? -18.391 5.296 -7.455 1.00 20.20 ? 73 SER B C 1 ATOM 1502 O O . SER B 1 72 ? -19.166 6.273 -7.332 1.00 22.54 ? 73 SER B O 1 ATOM 1503 C CB . SER B 1 72 ? -18.595 2.921 -6.865 1.00 25.30 ? 73 SER B CB 1 ATOM 1504 O OG . SER B 1 72 ? -19.897 3.172 -7.227 1.00 27.10 ? 73 SER B OG 1 ATOM 1505 N N . GLU B 1 73 ? -17.697 5.054 -8.549 1.00 19.62 ? 74 GLU B N 1 ATOM 1506 C CA . GLU B 1 73 ? -17.789 5.938 -9.704 1.00 20.62 ? 74 GLU B CA 1 ATOM 1507 C C . GLU B 1 73 ? -18.867 5.401 -10.670 1.00 18.47 ? 74 GLU B C 1 ATOM 1508 O O . GLU B 1 73 ? -19.088 6.034 -11.781 1.00 19.80 ? 74 GLU B O 1 ATOM 1509 C CB . GLU B 1 73 ? -16.444 5.947 -10.451 1.00 20.24 ? 74 GLU B CB 1 ATOM 1510 C CG . GLU B 1 73 ? -15.402 6.732 -9.550 1.00 17.32 ? 74 GLU B CG 1 ATOM 1511 C CD . GLU B 1 73 ? -14.026 6.727 -10.136 1.00 28.94 ? 74 GLU B CD 1 ATOM 1512 O OE1 . GLU B 1 73 ? -13.770 6.141 -11.217 1.00 29.43 ? 74 GLU B OE1 1 ATOM 1513 O OE2 . GLU B 1 73 ? -13.153 7.275 -9.410 1.00 33.19 ? 74 GLU B OE2 1 ATOM 1514 N N . SER B 1 74 ? -19.468 4.282 -10.268 1.00 17.98 ? 75 SER B N 1 ATOM 1515 C CA . SER B 1 74 ? -20.462 3.592 -11.129 1.00 16.49 ? 75 SER B CA 1 ATOM 1516 C C . SER B 1 74 ? -21.882 4.190 -11.037 1.00 16.62 ? 75 SER B C 1 ATOM 1517 O O . SER B 1 74 ? -22.217 5.019 -10.149 1.00 17.21 ? 75 SER B O 1 ATOM 1518 C CB . SER B 1 74 ? -20.556 2.156 -10.585 1.00 18.20 ? 75 SER B CB 1 ATOM 1519 O OG . SER B 1 74 ? -19.258 1.542 -10.836 1.00 25.03 ? 75 SER B OG 1 ATOM 1520 N N . THR B 1 75 ? -22.775 3.758 -11.948 1.00 14.72 ? 76 THR B N 1 ATOM 1521 C CA . THR B 1 75 ? -24.198 4.137 -11.878 1.00 14.99 ? 76 THR B CA 1 ATOM 1522 C C . THR B 1 75 ? -25.008 2.849 -12.274 1.00 14.45 ? 76 THR B C 1 ATOM 1523 O O . THR B 1 75 ? -24.518 2.079 -13.142 1.00 14.27 ? 76 THR B O 1 ATOM 1524 C CB . THR B 1 75 ? -24.493 5.184 -13.015 1.00 16.51 ? 76 THR B CB 1 ATOM 1525 O OG1 . THR B 1 75 ? -23.781 6.424 -12.745 1.00 17.67 ? 76 THR B OG1 1 ATOM 1526 C CG2 . THR B 1 75 ? -25.959 5.559 -13.108 1.00 17.58 ? 76 THR B CG2 1 ATOM 1527 N N . THR B 1 76 ? -26.175 2.634 -11.649 1.00 15.64 ? 77 THR B N 1 ATOM 1528 C CA . THR B 1 76 ? -27.071 1.500 -12.022 1.00 13.14 ? 77 THR B CA 1 ATOM 1529 C C . THR B 1 76 ? -28.394 2.105 -12.427 1.00 14.65 ? 77 THR B C 1 ATOM 1530 O O . THR B 1 76 ? -28.863 3.110 -11.830 1.00 16.30 ? 77 THR B O 1 ATOM 1531 C CB . THR B 1 76 ? -27.316 0.571 -10.844 1.00 15.32 ? 77 THR B CB 1 ATOM 1532 O OG1 . THR B 1 76 ? -26.011 0.071 -10.438 1.00 13.66 ? 77 THR B OG1 1 ATOM 1533 C CG2 . THR B 1 76 ? -28.025 -0.662 -11.287 1.00 12.23 ? 77 THR B CG2 1 ATOM 1534 N N . VAL B 1 77 ? -28.981 1.599 -13.518 1.00 13.30 ? 78 VAL B N 1 ATOM 1535 C CA . VAL B 1 77 ? -30.338 1.927 -13.802 1.00 13.02 ? 78 VAL B CA 1 ATOM 1536 C C . VAL B 1 77 ? -31.176 0.685 -13.607 1.00 15.79 ? 78 VAL B C 1 ATOM 1537 O O . VAL B 1 77 ? -30.711 -0.415 -13.893 1.00 13.84 ? 78 VAL B O 1 ATOM 1538 C CB . VAL B 1 77 ? -30.525 2.460 -15.234 1.00 12.97 ? 78 VAL B CB 1 ATOM 1539 C CG1 . VAL B 1 77 ? -29.866 3.863 -15.262 1.00 15.35 ? 78 VAL B CG1 1 ATOM 1540 C CG2 . VAL B 1 77 ? -29.865 1.558 -16.326 1.00 13.90 ? 78 VAL B CG2 1 ATOM 1541 N N . PHE B 1 78 ? -32.468 0.860 -13.227 1.00 15.20 ? 79 PHE B N 1 ATOM 1542 C CA . PHE B 1 78 ? -33.357 -0.288 -13.052 1.00 13.29 ? 79 PHE B CA 1 ATOM 1543 C C . PHE B 1 78 ? -34.636 0.076 -13.883 1.00 14.32 ? 79 PHE B C 1 ATOM 1544 O O . PHE B 1 78 ? -35.057 1.225 -13.871 1.00 16.33 ? 79 PHE B O 1 ATOM 1545 C CB . PHE B 1 78 ? -33.827 -0.463 -11.592 1.00 16.08 ? 79 PHE B CB 1 ATOM 1546 C CG . PHE B 1 78 ? -32.764 -0.995 -10.659 1.00 14.29 ? 79 PHE B CG 1 ATOM 1547 C CD1 . PHE B 1 78 ? -31.816 -0.120 -10.115 1.00 17.91 ? 79 PHE B CD1 1 ATOM 1548 C CD2 . PHE B 1 78 ? -32.816 -2.325 -10.211 1.00 18.19 ? 79 PHE B CD2 1 ATOM 1549 C CE1 . PHE B 1 78 ? -30.846 -0.607 -9.203 1.00 17.96 ? 79 PHE B CE1 1 ATOM 1550 C CE2 . PHE B 1 78 ? -31.886 -2.805 -9.264 1.00 17.52 ? 79 PHE B CE2 1 ATOM 1551 C CZ . PHE B 1 78 ? -30.857 -1.961 -8.820 1.00 17.49 ? 79 PHE B CZ 1 ATOM 1552 N N . THR B 1 79 ? -35.218 -0.933 -14.509 1.00 16.43 ? 80 THR B N 1 ATOM 1553 C CA . THR B 1 79 ? -36.573 -0.712 -15.113 1.00 13.62 ? 80 THR B CA 1 ATOM 1554 C C . THR B 1 79 ? -37.396 -1.928 -14.874 1.00 16.08 ? 80 THR B C 1 ATOM 1555 O O . THR B 1 79 ? -36.882 -2.995 -14.913 1.00 16.22 ? 80 THR B O 1 ATOM 1556 C CB . THR B 1 79 ? -36.449 -0.269 -16.605 1.00 16.07 ? 80 THR B CB 1 ATOM 1557 O OG1 . THR B 1 79 ? -37.773 0.113 -17.026 1.00 17.57 ? 80 THR B OG1 1 ATOM 1558 C CG2 . THR B 1 79 ? -35.909 -1.426 -17.619 1.00 14.93 ? 80 THR B CG2 1 ATOM 1559 N N . GLY B 1 80 ? -38.741 -1.772 -14.792 1.00 15.64 ? 81 GLY B N 1 ATOM 1560 C CA . GLY B 1 80 ? -39.537 -2.911 -14.470 1.00 15.32 ? 81 GLY B CA 1 ATOM 1561 C C . GLY B 1 80 ? -41.021 -2.517 -14.430 1.00 17.09 ? 81 GLY B C 1 ATOM 1562 O O . GLY B 1 80 ? -41.375 -1.462 -14.918 1.00 16.16 ? 81 GLY B O 1 ATOM 1563 N N . GLN B 1 81 ? -41.755 -3.328 -13.717 1.00 15.47 ? 82 GLN B N 1 ATOM 1564 C CA . GLN B 1 81 ? -43.227 -3.141 -13.611 1.00 17.93 ? 82 GLN B CA 1 ATOM 1565 C C . GLN B 1 81 ? -43.649 -3.493 -12.256 1.00 18.96 ? 82 GLN B C 1 ATOM 1566 O O . GLN B 1 81 ? -43.101 -4.457 -11.633 1.00 19.01 ? 82 GLN B O 1 ATOM 1567 C CB . GLN B 1 81 ? -43.907 -4.088 -14.702 1.00 17.33 ? 82 GLN B CB 1 ATOM 1568 C CG . GLN B 1 81 ? -45.437 -3.740 -14.863 1.00 22.22 ? 82 GLN B CG 1 ATOM 1569 C CD . GLN B 1 81 ? -46.032 -4.361 -16.091 1.00 25.74 ? 82 GLN B CD 1 ATOM 1570 O OE1 . GLN B 1 81 ? -45.322 -4.960 -16.912 1.00 20.29 ? 82 GLN B OE1 1 ATOM 1571 N NE2 . GLN B 1 81 ? -47.350 -4.253 -16.240 1.00 22.41 ? 82 GLN B NE2 1 ATOM 1572 N N . CYS B 1 82 ? -44.639 -2.729 -11.767 1.00 16.84 ? 83 CYS B N 1 ATOM 1573 C CA . CYS B 1 82 ? -45.259 -2.947 -10.456 1.00 21.98 ? 83 CYS B CA 1 ATOM 1574 C C . CYS B 1 82 ? -46.518 -3.835 -10.650 1.00 21.95 ? 83 CYS B C 1 ATOM 1575 O O . CYS B 1 82 ? -47.503 -3.392 -11.285 1.00 24.63 ? 83 CYS B O 1 ATOM 1576 C CB . CYS B 1 82 ? -45.672 -1.527 -9.984 1.00 20.73 ? 83 CYS B CB 1 ATOM 1577 S SG . CYS B 1 82 ? -46.179 -1.438 -8.211 1.00 28.94 ? 83 CYS B SG 1 ATOM 1578 N N . PHE B 1 83 ? -46.439 -5.042 -10.127 1.00 23.40 ? 84 PHE B N 1 ATOM 1579 C CA . PHE B 1 83 ? -47.542 -6.013 -10.178 1.00 25.65 ? 84 PHE B CA 1 ATOM 1580 C C . PHE B 1 83 ? -48.289 -6.117 -8.878 1.00 26.98 ? 84 PHE B C 1 ATOM 1581 O O . PHE B 1 83 ? -47.681 -6.170 -7.827 1.00 26.99 ? 84 PHE B O 1 ATOM 1582 C CB . PHE B 1 83 ? -47.040 -7.425 -10.582 1.00 24.53 ? 84 PHE B CB 1 ATOM 1583 C CG . PHE B 1 83 ? -46.557 -7.473 -11.980 1.00 24.05 ? 84 PHE B CG 1 ATOM 1584 C CD1 . PHE B 1 83 ? -45.179 -7.410 -12.249 1.00 21.45 ? 84 PHE B CD1 1 ATOM 1585 C CD2 . PHE B 1 83 ? -47.452 -7.542 -13.053 1.00 21.45 ? 84 PHE B CD2 1 ATOM 1586 C CE1 . PHE B 1 83 ? -44.717 -7.478 -13.600 1.00 18.31 ? 84 PHE B CE1 1 ATOM 1587 C CE2 . PHE B 1 83 ? -47.010 -7.570 -14.378 1.00 24.83 ? 84 PHE B CE2 1 ATOM 1588 C CZ . PHE B 1 83 ? -45.665 -7.516 -14.687 1.00 23.26 ? 84 PHE B CZ 1 ATOM 1589 N N . ILE B 1 84 ? -49.630 -6.182 -8.931 1.00 28.14 ? 85 ILE B N 1 ATOM 1590 C CA . ILE B 1 84 ? -50.366 -6.264 -7.629 1.00 33.12 ? 85 ILE B CA 1 ATOM 1591 C C . ILE B 1 84 ? -51.425 -7.318 -7.760 1.00 36.69 ? 85 ILE B C 1 ATOM 1592 O O . ILE B 1 84 ? -52.055 -7.362 -8.787 1.00 37.17 ? 85 ILE B O 1 ATOM 1593 C CB . ILE B 1 84 ? -51.002 -4.833 -7.212 1.00 32.85 ? 85 ILE B CB 1 ATOM 1594 C CG1 . ILE B 1 84 ? -51.666 -4.844 -5.830 1.00 36.14 ? 85 ILE B CG1 1 ATOM 1595 C CG2 . ILE B 1 84 ? -51.936 -4.382 -8.230 1.00 31.82 ? 85 ILE B CG2 1 ATOM 1596 C CD1 . ILE B 1 84 ? -52.033 -3.386 -5.249 1.00 40.10 ? 85 ILE B CD1 1 ATOM 1597 N N . ASP B 1 85 ? -51.600 -8.154 -6.721 1.00 40.82 ? 86 ASP B N 1 ATOM 1598 C CA . ASP B 1 85 ? -52.493 -9.357 -6.780 1.00 45.54 ? 86 ASP B CA 1 ATOM 1599 C C . ASP B 1 85 ? -53.893 -9.029 -6.144 1.00 48.46 ? 86 ASP B C 1 ATOM 1600 O O . ASP B 1 85 ? -54.157 -7.841 -5.833 1.00 47.98 ? 86 ASP B O 1 ATOM 1601 C CB . ASP B 1 85 ? -51.800 -10.637 -6.191 1.00 43.82 ? 86 ASP B CB 1 ATOM 1602 C CG . ASP B 1 85 ? -51.743 -10.642 -4.626 1.00 45.99 ? 86 ASP B CG 1 ATOM 1603 O OD1 . ASP B 1 85 ? -50.979 -11.487 -4.067 1.00 50.12 ? 86 ASP B OD1 1 ATOM 1604 O OD2 . ASP B 1 85 ? -52.403 -9.794 -3.929 1.00 44.05 ? 86 ASP B OD2 1 ATOM 1605 N N . ARG B 1 86 ? -54.762 -10.066 -5.990 1.00 51.55 ? 87 ARG B N 1 ATOM 1606 C CA . ARG B 1 86 ? -56.164 -9.915 -5.458 1.00 54.66 ? 87 ARG B CA 1 ATOM 1607 C C . ARG B 1 86 ? -56.130 -9.281 -4.051 1.00 54.40 ? 87 ARG B C 1 ATOM 1608 O O . ARG B 1 86 ? -56.830 -8.293 -3.761 1.00 55.44 ? 87 ARG B O 1 ATOM 1609 C CB . ARG B 1 86 ? -56.984 -11.269 -5.427 1.00 54.62 ? 87 ARG B CB 1 ATOM 1610 C CG . ARG B 1 86 ? -56.408 -12.577 -6.190 1.00 60.61 ? 87 ARG B CG 1 ATOM 1611 C CD . ARG B 1 86 ? -56.343 -12.559 -7.815 1.00 65.22 ? 87 ARG B CD 1 ATOM 1612 N NE . ARG B 1 86 ? -55.118 -11.974 -8.443 1.00 65.84 ? 87 ARG B NE 1 ATOM 1613 C CZ . ARG B 1 86 ? -53.931 -12.590 -8.555 1.00 68.43 ? 87 ARG B CZ 1 ATOM 1614 N NH1 . ARG B 1 86 ? -53.729 -13.808 -8.058 1.00 68.72 ? 87 ARG B NH1 1 ATOM 1615 N NH2 . ARG B 1 86 ? -52.912 -11.980 -9.150 1.00 69.30 ? 87 ARG B NH2 1 ATOM 1616 N N . ASN B 1 87 ? -55.255 -9.832 -3.212 1.00 54.46 ? 88 ASN B N 1 ATOM 1617 C CA . ASN B 1 87 ? -55.055 -9.400 -1.812 1.00 54.19 ? 88 ASN B CA 1 ATOM 1618 C C . ASN B 1 87 ? -54.299 -8.046 -1.613 1.00 52.78 ? 88 ASN B C 1 ATOM 1619 O O . ASN B 1 87 ? -53.912 -7.722 -0.482 1.00 53.28 ? 88 ASN B O 1 ATOM 1620 C CB . ASN B 1 87 ? -54.358 -10.534 -1.037 1.00 54.50 ? 88 ASN B CB 1 ATOM 1621 C CG . ASN B 1 87 ? -55.162 -11.874 -1.056 1.00 57.65 ? 88 ASN B CG 1 ATOM 1622 O OD1 . ASN B 1 87 ? -56.082 -12.068 -1.859 1.00 57.35 ? 88 ASN B OD1 1 ATOM 1623 N ND2 . ASN B 1 87 ? -54.794 -12.791 -0.169 1.00 58.55 ? 88 ASN B ND2 1 ATOM 1624 N N . GLY B 1 88 ? -54.099 -7.288 -2.709 1.00 50.98 ? 89 GLY B N 1 ATOM 1625 C CA . GLY B 1 88 ? -53.322 -6.029 -2.756 1.00 47.09 ? 89 GLY B CA 1 ATOM 1626 C C . GLY B 1 88 ? -51.818 -6.128 -2.456 1.00 44.30 ? 89 GLY B C 1 ATOM 1627 O O . GLY B 1 88 ? -51.165 -5.099 -2.075 1.00 41.73 ? 89 GLY B O 1 ATOM 1628 N N . LYS B 1 89 ? -51.256 -7.331 -2.663 1.00 41.85 ? 90 LYS B N 1 ATOM 1629 C CA . LYS B 1 89 ? -49.824 -7.533 -2.364 1.00 38.62 ? 90 LYS B CA 1 ATOM 1630 C C . LYS B 1 89 ? -48.976 -7.149 -3.627 1.00 35.10 ? 90 LYS B C 1 ATOM 1631 O O . LYS B 1 89 ? -49.240 -7.601 -4.711 1.00 35.23 ? 90 LYS B O 1 ATOM 1632 C CB . LYS B 1 89 ? -49.494 -8.943 -1.899 1.00 39.64 ? 90 LYS B CB 1 ATOM 1633 C CG . LYS B 1 89 ? -48.002 -9.101 -1.528 1.00 42.66 ? 90 LYS B CG 1 ATOM 1634 C CD . LYS B 1 89 ? -47.717 -10.287 -0.593 1.00 52.54 ? 90 LYS B CD 1 ATOM 1635 C CE . LYS B 1 89 ? -47.473 -11.552 -1.396 1.00 54.94 ? 90 LYS B CE 1 ATOM 1636 N NZ . LYS B 1 89 ? -46.006 -11.729 -1.659 1.00 59.59 ? 90 LYS B NZ 1 ATOM 1637 N N . GLU B 1 90 ? -47.952 -6.346 -3.441 1.00 30.04 ? 91 GLU B N 1 ATOM 1638 C CA . GLU B 1 90 ? -47.228 -5.800 -4.620 1.00 26.21 ? 91 GLU B CA 1 ATOM 1639 C C . GLU B 1 90 ? -45.876 -6.475 -4.815 1.00 23.83 ? 91 GLU B C 1 ATOM 1640 O O . GLU B 1 90 ? -45.241 -6.877 -3.831 1.00 24.22 ? 91 GLU B O 1 ATOM 1641 C CB . GLU B 1 90 ? -47.007 -4.294 -4.445 1.00 26.72 ? 91 GLU B CB 1 ATOM 1642 C CG . GLU B 1 90 ? -48.267 -3.456 -4.174 1.00 27.13 ? 91 GLU B CG 1 ATOM 1643 C CD . GLU B 1 90 ? -48.015 -1.983 -4.352 1.00 30.52 ? 91 GLU B CD 1 ATOM 1644 O OE1 . GLU B 1 90 ? -46.835 -1.553 -4.451 1.00 31.33 ? 91 GLU B OE1 1 ATOM 1645 O OE2 . GLU B 1 90 ? -48.957 -1.208 -4.390 1.00 27.97 ? 91 GLU B OE2 1 ATOM 1646 N N . VAL B 1 91 ? -45.422 -6.532 -6.087 1.00 22.63 ? 92 VAL B N 1 ATOM 1647 C CA . VAL B 1 91 ? -44.064 -7.018 -6.397 1.00 22.09 ? 92 VAL B CA 1 ATOM 1648 C C . VAL B 1 91 ? -43.530 -6.120 -7.499 1.00 17.43 ? 92 VAL B C 1 ATOM 1649 O O . VAL B 1 91 ? -44.274 -5.861 -8.477 1.00 21.18 ? 92 VAL B O 1 ATOM 1650 C CB . VAL B 1 91 ? -44.093 -8.483 -7.003 1.00 22.46 ? 92 VAL B CB 1 ATOM 1651 C CG1 . VAL B 1 91 ? -42.662 -8.986 -6.982 1.00 28.90 ? 92 VAL B CG1 1 ATOM 1652 C CG2 . VAL B 1 91 ? -44.779 -9.370 -6.032 1.00 32.97 ? 92 VAL B CG2 1 ATOM 1653 N N . LEU B 1 92 ? -42.298 -5.630 -7.380 1.00 19.02 ? 93 LEU B N 1 ATOM 1654 C CA . LEU B 1 92 ? -41.687 -4.964 -8.497 1.00 18.91 ? 93 LEU B CA 1 ATOM 1655 C C . LEU B 1 92 ? -40.736 -5.978 -9.161 1.00 17.87 ? 93 LEU B C 1 ATOM 1656 O O . LEU B 1 92 ? -39.803 -6.458 -8.469 1.00 17.93 ? 93 LEU B O 1 ATOM 1657 C CB . LEU B 1 92 ? -40.779 -3.809 -8.023 1.00 16.53 ? 93 LEU B CB 1 ATOM 1658 C CG . LEU B 1 92 ? -41.492 -2.808 -7.084 1.00 22.06 ? 93 LEU B CG 1 ATOM 1659 C CD1 . LEU B 1 92 ? -40.502 -1.675 -6.750 1.00 25.45 ? 93 LEU B CD1 1 ATOM 1660 C CD2 . LEU B 1 92 ? -42.808 -2.223 -7.662 1.00 18.54 ? 93 LEU B CD2 1 ATOM 1661 N N . LYS B 1 93 ? -40.921 -6.219 -10.441 1.00 18.27 ? 94 LYS B N 1 ATOM 1662 C CA . LYS B 1 93 ? -40.002 -7.156 -11.192 1.00 18.54 ? 94 LYS B CA 1 ATOM 1663 C C . LYS B 1 93 ? -39.216 -6.184 -12.031 1.00 16.53 ? 94 LYS B C 1 ATOM 1664 O O . LYS B 1 93 ? -39.769 -5.378 -12.848 1.00 17.62 ? 94 LYS B O 1 ATOM 1665 C CB . LYS B 1 93 ? -40.833 -8.023 -12.131 1.00 19.10 ? 94 LYS B CB 1 ATOM 1666 C CG . LYS B 1 93 ? -41.686 -8.914 -11.265 1.00 23.29 ? 94 LYS B CG 1 ATOM 1667 C CD . LYS B 1 93 ? -41.867 -10.295 -11.732 1.00 36.38 ? 94 LYS B CD 1 ATOM 1668 C CE . LYS B 1 93 ? -40.892 -11.127 -11.158 1.00 36.40 ? 94 LYS B CE 1 ATOM 1669 N NZ . LYS B 1 93 ? -40.643 -12.156 -12.225 1.00 35.92 ? 94 LYS B NZ 1 ATOM 1670 N N . THR B 1 94 ? -37.913 -6.241 -11.845 1.00 15.83 ? 95 THR B N 1 ATOM 1671 C CA . THR B 1 94 ? -37.061 -5.305 -12.597 1.00 14.82 ? 95 THR B CA 1 ATOM 1672 C C . THR B 1 94 ? -35.824 -5.965 -13.157 1.00 15.63 ? 95 THR B C 1 ATOM 1673 O O . THR B 1 94 ? -35.493 -7.096 -12.768 1.00 14.11 ? 95 THR B O 1 ATOM 1674 C CB . THR B 1 94 ? -36.482 -4.209 -11.666 1.00 17.58 ? 95 THR B CB 1 ATOM 1675 O OG1 . THR B 1 94 ? -35.502 -4.704 -10.744 1.00 18.56 ? 95 THR B OG1 1 ATOM 1676 C CG2 . THR B 1 94 ? -37.636 -3.584 -10.791 1.00 20.50 ? 95 THR B CG2 1 ATOM 1677 N N . MET B 1 95 ? -35.218 -5.270 -14.124 1.00 14.95 ? 96 MET B N 1 ATOM 1678 C CA . MET B 1 95 ? -33.910 -5.649 -14.609 1.00 15.02 ? 96 MET B CA 1 ATOM 1679 C C . MET B 1 95 ? -33.071 -4.405 -14.489 1.00 15.08 ? 96 MET B C 1 ATOM 1680 O O . MET B 1 95 ? -33.592 -3.258 -14.425 1.00 15.33 ? 96 MET B O 1 ATOM 1681 C CB . MET B 1 95 ? -33.928 -6.080 -16.111 1.00 12.71 ? 96 MET B CB 1 ATOM 1682 C CG . MET B 1 95 ? -34.757 -7.416 -16.161 1.00 15.41 ? 96 MET B CG 1 ATOM 1683 S SD . MET B 1 95 ? -34.365 -8.363 -17.640 1.00 20.23 ? 96 MET B SD 1 ATOM 1684 C CE . MET B 1 95 ? -32.511 -8.806 -17.298 1.00 16.19 ? 96 MET B CE 1 ATOM 1685 N N . TRP B 1 96 ? -31.764 -4.642 -14.434 1.00 15.03 ? 97 TRP B N 1 ATOM 1686 C CA . TRP B 1 96 ? -30.772 -3.554 -14.228 1.00 12.66 ? 97 TRP B CA 1 ATOM 1687 C C . TRP B 1 96 ? -29.579 -3.625 -15.077 1.00 13.60 ? 97 TRP B C 1 ATOM 1688 O O . TRP B 1 96 ? -29.180 -4.723 -15.535 1.00 12.64 ? 97 TRP B O 1 ATOM 1689 C CB . TRP B 1 96 ? -30.361 -3.369 -12.666 1.00 13.36 ? 97 TRP B CB 1 ATOM 1690 C CG . TRP B 1 96 ? -29.880 -4.667 -12.105 1.00 14.44 ? 97 TRP B CG 1 ATOM 1691 C CD1 . TRP B 1 96 ? -30.610 -5.539 -11.405 1.00 16.32 ? 97 TRP B CD1 1 ATOM 1692 C CD2 . TRP B 1 96 ? -28.541 -5.185 -12.169 1.00 11.94 ? 97 TRP B CD2 1 ATOM 1693 N NE1 . TRP B 1 96 ? -29.820 -6.584 -10.962 1.00 13.58 ? 97 TRP B NE1 1 ATOM 1694 C CE2 . TRP B 1 96 ? -28.562 -6.445 -11.470 1.00 14.82 ? 97 TRP B CE2 1 ATOM 1695 C CE3 . TRP B 1 96 ? -27.367 -4.774 -12.784 1.00 12.93 ? 97 TRP B CE3 1 ATOM 1696 C CZ2 . TRP B 1 96 ? -27.406 -7.266 -11.316 1.00 14.10 ? 97 TRP B CZ2 1 ATOM 1697 C CZ3 . TRP B 1 96 ? -26.200 -5.598 -12.636 1.00 15.80 ? 97 TRP B CZ3 1 ATOM 1698 C CH2 . TRP B 1 96 ? -26.234 -6.811 -11.903 1.00 16.71 ? 97 TRP B CH2 1 ATOM 1699 N N . LEU B 1 97 ? -28.983 -2.444 -15.308 1.00 12.40 ? 98 LEU B N 1 ATOM 1700 C CA . LEU B 1 97 ? -27.607 -2.370 -15.864 1.00 13.48 ? 98 LEU B CA 1 ATOM 1701 C C . LEU B 1 97 ? -26.787 -1.601 -14.872 1.00 13.53 ? 98 LEU B C 1 ATOM 1702 O O . LEU B 1 97 ? -27.103 -0.472 -14.514 1.00 13.08 ? 98 LEU B O 1 ATOM 1703 C CB . LEU B 1 97 ? -27.520 -1.658 -17.212 1.00 14.35 ? 98 LEU B CB 1 ATOM 1704 C CG . LEU B 1 97 ? -28.471 -2.224 -18.318 1.00 11.71 ? 98 LEU B CG 1 ATOM 1705 C CD1 . LEU B 1 97 ? -28.476 -1.361 -19.575 1.00 16.03 ? 98 LEU B CD1 1 ATOM 1706 C CD2 . LEU B 1 97 ? -27.845 -3.650 -18.764 1.00 12.78 ? 98 LEU B CD2 1 ATOM 1707 N N . LEU B 1 98 ? -25.617 -2.183 -14.548 1.00 14.01 ? 99 LEU B N 1 ATOM 1708 C CA . LEU B 1 98 ? -24.636 -1.543 -13.663 1.00 15.45 ? 99 LEU B CA 1 ATOM 1709 C C . LEU B 1 98 ? -23.459 -1.123 -14.547 1.00 14.37 ? 99 LEU B C 1 ATOM 1710 O O . LEU B 1 98 ? -22.712 -1.936 -15.137 1.00 16.29 ? 99 LEU B O 1 ATOM 1711 C CB . LEU B 1 98 ? -24.093 -2.544 -12.593 1.00 15.36 ? 99 LEU B CB 1 ATOM 1712 C CG . LEU B 1 98 ? -22.857 -2.118 -11.750 1.00 20.29 ? 99 LEU B CG 1 ATOM 1713 C CD1 . LEU B 1 98 ? -23.034 -0.783 -11.061 1.00 21.08 ? 99 LEU B CD1 1 ATOM 1714 C CD2 . LEU B 1 98 ? -22.692 -3.275 -10.672 1.00 20.55 ? 99 LEU B CD2 1 ATOM 1715 N N . ARG B 1 99 ? -23.246 0.198 -14.642 1.00 13.21 ? 100 ARG B N 1 ATOM 1716 C CA . ARG B 1 99 ? -22.219 0.689 -15.508 1.00 12.72 ? 100 ARG B CA 1 ATOM 1717 C C . ARG B 1 99 ? -20.979 1.071 -14.627 1.00 13.49 ? 100 ARG B C 1 ATOM 1718 O O . ARG B 1 99 ? -21.099 1.936 -13.751 1.00 14.58 ? 100 ARG B O 1 ATOM 1719 C CB . ARG B 1 99 ? -22.747 2.006 -16.179 1.00 12.72 ? 100 ARG B CB 1 ATOM 1720 C CG . ARG B 1 99 ? -21.576 2.876 -16.920 1.00 15.90 ? 100 ARG B CG 1 ATOM 1721 C CD . ARG B 1 99 ? -21.074 2.036 -18.102 1.00 24.01 ? 100 ARG B CD 1 ATOM 1722 N NE . ARG B 1 99 ? -19.742 2.544 -18.577 1.00 22.22 ? 100 ARG B NE 1 ATOM 1723 C CZ . ARG B 1 99 ? -19.347 2.475 -19.833 1.00 21.61 ? 100 ARG B CZ 1 ATOM 1724 N NH1 . ARG B 1 99 ? -20.155 2.053 -20.783 1.00 17.32 ? 100 ARG B NH1 1 ATOM 1725 N NH2 . ARG B 1 99 ? -18.108 2.879 -20.167 1.00 18.20 ? 100 ARG B NH2 1 ATOM 1726 N N . SER B 1 100 ? -19.891 0.378 -14.861 1.00 15.37 ? 101 SER B N 1 ATOM 1727 C CA . SER B 1 100 ? -18.612 0.713 -14.166 1.00 15.89 ? 101 SER B CA 1 ATOM 1728 C C . SER B 1 100 ? -17.942 1.865 -14.954 1.00 18.97 ? 101 SER B C 1 ATOM 1729 O O . SER B 1 100 ? -18.134 2.028 -16.138 1.00 18.95 ? 101 SER B O 1 ATOM 1730 C CB . SER B 1 100 ? -17.665 -0.522 -14.163 1.00 16.28 ? 101 SER B CB 1 ATOM 1731 O OG . SER B 1 100 ? -18.288 -1.474 -13.269 1.00 20.00 ? 101 SER B OG 1 ATOM 1732 N N . SER B 1 101 ? -17.046 2.610 -14.253 1.00 18.25 ? 102 SER B N 1 ATOM 1733 C CA . SER B 1 101 ? -16.243 3.600 -14.971 1.00 18.19 ? 102 SER B CA 1 ATOM 1734 C C . SER B 1 101 ? -15.024 2.918 -15.503 1.00 21.91 ? 102 SER B C 1 ATOM 1735 O O . SER B 1 101 ? -14.294 2.191 -14.730 1.00 22.89 ? 102 SER B O 1 ATOM 1736 C CB . SER B 1 101 ? -15.870 4.703 -13.959 1.00 22.38 ? 102 SER B CB 1 ATOM 1737 O OG . SER B 1 101 ? -14.812 5.558 -14.519 1.00 23.87 ? 102 SER B OG 1 ATOM 1738 N N . VAL B 1 102 ? -14.658 3.217 -16.737 1.00 19.82 ? 103 VAL B N 1 ATOM 1739 C CA . VAL B 1 102 ? -13.373 2.745 -17.177 1.00 23.36 ? 103 VAL B CA 1 ATOM 1740 C C . VAL B 1 102 ? -12.602 4.013 -17.568 1.00 26.28 ? 103 VAL B C 1 ATOM 1741 O O . VAL B 1 102 ? -13.181 4.990 -17.983 1.00 25.23 ? 103 VAL B O 1 ATOM 1742 C CB . VAL B 1 102 ? -13.414 1.684 -18.316 1.00 23.35 ? 103 VAL B CB 1 ATOM 1743 C CG1 . VAL B 1 102 ? -14.062 0.363 -17.818 1.00 21.91 ? 103 VAL B CG1 1 ATOM 1744 C CG2 . VAL B 1 102 ? -14.175 2.189 -19.564 1.00 21.90 ? 103 VAL B CG2 1 ATOM 1745 N N . ASN B 1 103 ? -11.264 3.922 -17.524 1.00 30.67 ? 104 ASN B N 1 ATOM 1746 C CA . ASN B 1 103 ? -10.403 5.026 -17.952 1.00 33.84 ? 104 ASN B CA 1 ATOM 1747 C C . ASN B 1 103 ? -10.239 5.220 -19.436 1.00 33.42 ? 104 ASN B C 1 ATOM 1748 O O . ASN B 1 103 ? -10.150 6.341 -19.876 1.00 33.09 ? 104 ASN B O 1 ATOM 1749 C CB . ASN B 1 103 ? -9.042 4.953 -17.202 1.00 35.79 ? 104 ASN B CB 1 ATOM 1750 C CG . ASN B 1 103 ? -9.195 5.397 -15.779 1.00 41.11 ? 104 ASN B CG 1 ATOM 1751 O OD1 . ASN B 1 103 ? -10.024 6.304 -15.500 1.00 47.64 ? 104 ASN B OD1 1 ATOM 1752 N ND2 . ASN B 1 103 ? -8.492 4.752 -14.853 1.00 46.04 ? 104 ASN B ND2 1 ATOM 1753 N N . ASP B 1 104 ? -10.241 4.157 -20.225 1.00 32.39 ? 105 ASP B N 1 ATOM 1754 C CA . ASP B 1 104 ? -9.956 4.310 -21.648 1.00 32.94 ? 105 ASP B CA 1 ATOM 1755 C C . ASP B 1 104 ? -11.216 3.802 -22.440 1.00 30.90 ? 105 ASP B C 1 ATOM 1756 O O . ASP B 1 104 ? -11.891 2.851 -22.015 1.00 28.68 ? 105 ASP B O 1 ATOM 1757 C CB . ASP B 1 104 ? -8.551 3.615 -21.961 1.00 35.36 ? 105 ASP B CB 1 ATOM 1758 C CG . ASP B 1 104 ? -8.165 3.596 -23.506 1.00 45.25 ? 105 ASP B CG 1 ATOM 1759 O OD1 . ASP B 1 104 ? -7.042 4.100 -23.869 1.00 54.79 ? 105 ASP B OD1 1 ATOM 1760 O OD2 . ASP B 1 104 ? -8.929 3.082 -24.368 1.00 49.22 ? 105 ASP B OD2 1 ATOM 1761 N N . ILE B 1 105 ? -11.584 4.473 -23.518 1.00 26.78 ? 106 ILE B N 1 ATOM 1762 C CA . ILE B 1 105 ? -12.761 4.154 -24.283 1.00 25.10 ? 106 ILE B CA 1 ATOM 1763 C C . ILE B 1 105 ? -12.577 2.767 -24.921 1.00 26.30 ? 106 ILE B C 1 ATOM 1764 O O . ILE B 1 105 ? -13.572 2.071 -25.235 1.00 25.60 ? 106 ILE B O 1 ATOM 1765 C CB . ILE B 1 105 ? -13.097 5.235 -25.335 1.00 24.90 ? 106 ILE B CB 1 ATOM 1766 C CG1 . ILE B 1 105 ? -14.465 4.949 -25.896 1.00 27.99 ? 106 ILE B CG1 1 ATOM 1767 C CG2 . ILE B 1 105 ? -12.056 5.229 -26.531 1.00 26.97 ? 106 ILE B CG2 1 ATOM 1768 C CD1 . ILE B 1 105 ? -15.077 6.110 -26.746 1.00 27.38 ? 106 ILE B CD1 1 ATOM 1769 N N . GLY B 1 106 ? -11.320 2.295 -25.052 1.00 24.64 ? 107 GLY B N 1 ATOM 1770 C CA . GLY B 1 106 ? -11.109 0.915 -25.613 1.00 23.90 ? 107 GLY B CA 1 ATOM 1771 C C . GLY B 1 106 ? -11.494 -0.205 -24.621 1.00 23.71 ? 107 GLY B C 1 ATOM 1772 O O . GLY B 1 106 ? -11.673 -1.395 -25.058 1.00 24.66 ? 107 GLY B O 1 ATOM 1773 N N . ASP B 1 107 ? -11.720 0.164 -23.378 1.00 20.59 ? 108 ASP B N 1 ATOM 1774 C CA . ASP B 1 107 ? -12.242 -0.796 -22.426 1.00 22.10 ? 108 ASP B CA 1 ATOM 1775 C C . ASP B 1 107 ? -13.783 -0.677 -22.228 1.00 20.48 ? 108 ASP B C 1 ATOM 1776 O O . ASP B 1 107 ? -14.325 -1.377 -21.319 1.00 19.73 ? 108 ASP B O 1 ATOM 1777 C CB . ASP B 1 107 ? -11.615 -0.651 -21.107 1.00 21.92 ? 108 ASP B CB 1 ATOM 1778 C CG . ASP B 1 107 ? -10.145 -1.014 -21.143 1.00 29.22 ? 108 ASP B CG 1 ATOM 1779 O OD1 . ASP B 1 107 ? -9.803 -1.934 -21.909 1.00 31.71 ? 108 ASP B OD1 1 ATOM 1780 O OD2 . ASP B 1 107 ? -9.410 -0.349 -20.406 1.00 32.81 ? 108 ASP B OD2 1 ATOM 1781 N N . ASP B 1 108 ? -14.430 0.184 -23.007 1.00 18.99 ? 109 ASP B N 1 ATOM 1782 C CA . ASP B 1 108 ? -15.901 0.423 -22.838 1.00 19.47 ? 109 ASP B CA 1 ATOM 1783 C C . ASP B 1 108 ? -16.596 -0.941 -22.919 1.00 20.16 ? 109 ASP B C 1 ATOM 1784 O O . ASP B 1 108 ? -17.636 -1.141 -22.258 1.00 18.17 ? 109 ASP B O 1 ATOM 1785 C CB . ASP B 1 108 ? -16.449 1.198 -24.045 1.00 21.46 ? 109 ASP B CB 1 ATOM 1786 C CG . ASP B 1 108 ? -17.910 1.557 -23.883 1.00 20.66 ? 109 ASP B CG 1 ATOM 1787 O OD1 . ASP B 1 108 ? -18.275 2.228 -22.868 1.00 20.78 ? 109 ASP B OD1 1 ATOM 1788 O OD2 . ASP B 1 108 ? -18.682 1.105 -24.702 1.00 24.23 ? 109 ASP B OD2 1 ATOM 1789 N N . TRP B 1 109 ? -16.065 -1.861 -23.705 1.00 18.92 ? 110 TRP B N 1 ATOM 1790 C CA . TRP B 1 109 ? -16.840 -3.128 -24.045 1.00 18.97 ? 110 TRP B CA 1 ATOM 1791 C C . TRP B 1 109 ? -17.133 -3.935 -22.795 1.00 18.80 ? 110 TRP B C 1 ATOM 1792 O O . TRP B 1 109 ? -18.081 -4.650 -22.771 1.00 18.24 ? 110 TRP B O 1 ATOM 1793 C CB . TRP B 1 109 ? -16.059 -4.029 -25.069 1.00 18.09 ? 110 TRP B CB 1 ATOM 1794 C CG . TRP B 1 109 ? -14.797 -4.567 -24.408 1.00 20.10 ? 110 TRP B CG 1 ATOM 1795 C CD1 . TRP B 1 109 ? -13.537 -4.010 -24.415 1.00 22.40 ? 110 TRP B CD1 1 ATOM 1796 C CD2 . TRP B 1 109 ? -14.675 -5.863 -23.756 1.00 19.08 ? 110 TRP B CD2 1 ATOM 1797 N NE1 . TRP B 1 109 ? -12.666 -4.825 -23.640 1.00 19.14 ? 110 TRP B NE1 1 ATOM 1798 C CE2 . TRP B 1 109 ? -13.355 -5.966 -23.269 1.00 20.43 ? 110 TRP B CE2 1 ATOM 1799 C CE3 . TRP B 1 109 ? -15.604 -6.879 -23.449 1.00 18.77 ? 110 TRP B CE3 1 ATOM 1800 C CZ2 . TRP B 1 109 ? -12.912 -7.086 -22.570 1.00 21.34 ? 110 TRP B CZ2 1 ATOM 1801 C CZ3 . TRP B 1 109 ? -15.209 -7.975 -22.692 1.00 20.67 ? 110 TRP B CZ3 1 ATOM 1802 C CH2 . TRP B 1 109 ? -13.835 -8.091 -22.265 1.00 20.44 ? 110 TRP B CH2 1 ATOM 1803 N N . LYS B 1 110 ? -16.332 -3.817 -21.770 1.00 17.10 ? 111 LYS B N 1 ATOM 1804 C CA . LYS B 1 110 ? -16.492 -4.661 -20.594 1.00 16.41 ? 111 LYS B CA 1 ATOM 1805 C C . LYS B 1 110 ? -17.149 -3.960 -19.429 1.00 16.66 ? 111 LYS B C 1 ATOM 1806 O O . LYS B 1 110 ? -17.209 -4.482 -18.367 1.00 16.80 ? 111 LYS B O 1 ATOM 1807 C CB . LYS B 1 110 ? -15.161 -5.242 -20.138 1.00 19.38 ? 111 LYS B CB 1 ATOM 1808 C CG . LYS B 1 110 ? -14.122 -4.254 -19.718 1.00 21.30 ? 111 LYS B CG 1 ATOM 1809 C CD . LYS B 1 110 ? -12.845 -4.979 -19.339 1.00 26.25 ? 111 LYS B CD 1 ATOM 1810 C CE . LYS B 1 110 ? -11.708 -4.122 -18.871 1.00 34.76 ? 111 LYS B CE 1 ATOM 1811 N NZ . LYS B 1 110 ? -10.413 -4.848 -19.125 1.00 36.61 ? 111 LYS B NZ 1 ATOM 1812 N N . ALA B 1 111 ? -17.649 -2.783 -19.680 1.00 14.57 ? 112 ALA B N 1 ATOM 1813 C CA . ALA B 1 111 ? -18.094 -1.879 -18.582 1.00 15.89 ? 112 ALA B CA 1 ATOM 1814 C C . ALA B 1 111 ? -19.527 -2.077 -18.002 1.00 16.49 ? 112 ALA B C 1 ATOM 1815 O O . ALA B 1 111 ? -19.910 -1.390 -17.097 1.00 17.41 ? 112 ALA B O 1 ATOM 1816 C CB . ALA B 1 111 ? -17.929 -0.376 -19.007 1.00 17.93 ? 112 ALA B CB 1 ATOM 1817 N N . THR B 1 112 ? -20.302 -2.963 -18.613 1.00 12.70 ? 113 THR B N 1 ATOM 1818 C CA . THR B 1 112 ? -21.726 -3.041 -18.234 1.00 13.90 ? 113 THR B CA 1 ATOM 1819 C C . THR B 1 112 ? -22.114 -4.444 -17.835 1.00 13.29 ? 113 THR B C 1 ATOM 1820 O O . THR B 1 112 ? -22.033 -5.416 -18.618 1.00 15.21 ? 113 THR B O 1 ATOM 1821 C CB . THR B 1 112 ? -22.619 -2.578 -19.456 1.00 14.22 ? 113 THR B CB 1 ATOM 1822 O OG1 . THR B 1 112 ? -22.181 -1.255 -19.882 1.00 14.93 ? 113 THR B OG1 1 ATOM 1823 C CG2 . THR B 1 112 ? -24.084 -2.475 -18.988 1.00 14.11 ? 113 THR B CG2 1 ATOM 1824 N N . ARG B 1 113 ? -22.595 -4.527 -16.599 1.00 12.43 ? 114 ARG B N 1 ATOM 1825 C CA . ARG B 1 113 ? -23.186 -5.760 -16.088 1.00 12.37 ? 114 ARG B CA 1 ATOM 1826 C C . ARG B 1 113 ? -24.718 -5.701 -16.167 1.00 11.87 ? 114 ARG B C 1 ATOM 1827 O O . ARG B 1 113 ? -25.305 -4.612 -16.125 1.00 12.81 ? 114 ARG B O 1 ATOM 1828 C CB . ARG B 1 113 ? -22.753 -5.997 -14.612 1.00 12.17 ? 114 ARG B CB 1 ATOM 1829 C CG . ARG B 1 113 ? -21.276 -6.456 -14.513 1.00 15.72 ? 114 ARG B CG 1 ATOM 1830 C CD . ARG B 1 113 ? -20.969 -6.406 -13.044 1.00 18.48 ? 114 ARG B CD 1 ATOM 1831 N NE . ARG B 1 113 ? -19.639 -6.876 -12.629 1.00 24.32 ? 114 ARG B NE 1 ATOM 1832 C CZ . ARG B 1 113 ? -18.719 -6.050 -12.149 1.00 31.50 ? 114 ARG B CZ 1 ATOM 1833 N NH1 . ARG B 1 113 ? -18.879 -4.719 -12.184 1.00 22.82 ? 114 ARG B NH1 1 ATOM 1834 N NH2 . ARG B 1 113 ? -17.580 -6.558 -11.707 1.00 29.13 ? 114 ARG B NH2 1 ATOM 1835 N N . VAL B 1 114 ? -25.354 -6.878 -16.207 1.00 13.72 ? 115 VAL B N 1 ATOM 1836 C CA . VAL B 1 114 ? -26.826 -6.902 -16.301 1.00 11.83 ? 115 VAL B CA 1 ATOM 1837 C C . VAL B 1 114 ? -27.356 -7.941 -15.277 1.00 12.86 ? 115 VAL B C 1 ATOM 1838 O O . VAL B 1 114 ? -26.649 -8.952 -14.985 1.00 13.95 ? 115 VAL B O 1 ATOM 1839 C CB . VAL B 1 114 ? -27.219 -7.217 -17.771 1.00 12.16 ? 115 VAL B CB 1 ATOM 1840 C CG1 . VAL B 1 114 ? -26.701 -8.614 -18.265 1.00 12.83 ? 115 VAL B CG1 1 ATOM 1841 C CG2 . VAL B 1 114 ? -28.767 -7.198 -17.917 1.00 12.83 ? 115 VAL B CG2 1 ATOM 1842 N N . GLY B 1 115 ? -28.608 -7.769 -14.811 1.00 13.09 ? 116 GLY B N 1 ATOM 1843 C CA . GLY B 1 115 ? -29.214 -8.787 -13.942 1.00 13.00 ? 116 GLY B CA 1 ATOM 1844 C C . GLY B 1 115 ? -30.596 -8.361 -13.615 1.00 15.06 ? 116 GLY B C 1 ATOM 1845 O O . GLY B 1 115 ? -31.108 -7.444 -14.242 1.00 14.28 ? 116 GLY B O 1 ATOM 1846 N N . ILE B 1 116 ? -31.215 -9.140 -12.743 1.00 15.06 ? 117 ILE B N 1 ATOM 1847 C CA . ILE B 1 116 ? -32.592 -8.850 -12.287 1.00 15.30 ? 117 ILE B CA 1 ATOM 1848 C C . ILE B 1 116 ? -32.687 -8.488 -10.847 1.00 16.27 ? 117 ILE B C 1 ATOM 1849 O O . ILE B 1 116 ? -31.713 -8.699 -10.095 1.00 16.32 ? 117 ILE B O 1 ATOM 1850 C CB . ILE B 1 116 ? -33.551 -10.108 -12.534 1.00 19.17 ? 117 ILE B CB 1 ATOM 1851 C CG1 . ILE B 1 116 ? -33.083 -11.260 -11.696 1.00 20.41 ? 117 ILE B CG1 1 ATOM 1852 C CG2 . ILE B 1 116 ? -33.552 -10.339 -14.060 1.00 19.78 ? 117 ILE B CG2 1 ATOM 1853 C CD1 . ILE B 1 116 ? -34.249 -11.716 -10.849 1.00 31.12 ? 117 ILE B CD1 1 ATOM 1854 N N . ASN B 1 117 ? -33.784 -7.851 -10.408 1.00 15.60 ? 118 ASN B N 1 ATOM 1855 C CA . ASN B 1 117 ? -33.974 -7.680 -8.961 1.00 18.82 ? 118 ASN B CA 1 ATOM 1856 C C . ASN B 1 117 ? -35.466 -7.781 -8.765 1.00 18.28 ? 118 ASN B C 1 ATOM 1857 O O . ASN B 1 117 ? -36.248 -7.124 -9.491 1.00 18.88 ? 118 ASN B O 1 ATOM 1858 C CB . ASN B 1 117 ? -33.400 -6.265 -8.634 1.00 22.50 ? 118 ASN B CB 1 ATOM 1859 C CG . ASN B 1 117 ? -33.373 -5.924 -7.196 1.00 32.45 ? 118 ASN B CG 1 ATOM 1860 O OD1 . ASN B 1 117 ? -33.827 -6.670 -6.373 1.00 42.83 ? 118 ASN B OD1 1 ATOM 1861 N ND2 . ASN B 1 117 ? -32.731 -4.755 -6.876 1.00 37.25 ? 118 ASN B ND2 1 ATOM 1862 N N . ILE B 1 118 ? -35.905 -8.566 -7.814 1.00 17.50 ? 119 ILE B N 1 ATOM 1863 C CA . ILE B 1 118 ? -37.326 -8.563 -7.491 1.00 17.75 ? 119 ILE B CA 1 ATOM 1864 C C . ILE B 1 118 ? -37.506 -7.968 -6.110 1.00 17.96 ? 119 ILE B C 1 ATOM 1865 O O . ILE B 1 118 ? -36.889 -8.416 -5.143 1.00 17.53 ? 119 ILE B O 1 ATOM 1866 C CB . ILE B 1 118 ? -37.822 -10.005 -7.480 1.00 20.04 ? 119 ILE B CB 1 ATOM 1867 C CG1 . ILE B 1 118 ? -37.595 -10.524 -8.927 1.00 21.48 ? 119 ILE B CG1 1 ATOM 1868 C CG2 . ILE B 1 118 ? -39.367 -10.049 -7.046 1.00 20.61 ? 119 ILE B CG2 1 ATOM 1869 C CD1 . ILE B 1 118 ? -37.796 -12.008 -9.023 1.00 28.38 ? 119 ILE B CD1 1 ATOM 1870 N N . PHE B 1 119 ? -38.356 -6.932 -6.030 1.00 17.64 ? 120 PHE B N 1 ATOM 1871 C CA . PHE B 1 119 ? -38.549 -6.277 -4.704 1.00 17.63 ? 120 PHE B CA 1 ATOM 1872 C C . PHE B 1 119 ? -39.939 -6.601 -4.142 1.00 17.07 ? 120 PHE B C 1 ATOM 1873 O O . PHE B 1 119 ? -40.969 -6.618 -4.892 1.00 20.32 ? 120 PHE B O 1 ATOM 1874 C CB . PHE B 1 119 ? -38.503 -4.720 -4.853 1.00 15.79 ? 120 PHE B CB 1 ATOM 1875 C CG . PHE B 1 119 ? -37.174 -4.173 -5.363 1.00 18.45 ? 120 PHE B CG 1 ATOM 1876 C CD1 . PHE B 1 119 ? -36.876 -4.109 -6.739 1.00 22.51 ? 120 PHE B CD1 1 ATOM 1877 C CD2 . PHE B 1 119 ? -36.179 -3.785 -4.434 1.00 21.46 ? 120 PHE B CD2 1 ATOM 1878 C CE1 . PHE B 1 119 ? -35.660 -3.516 -7.206 1.00 25.22 ? 120 PHE B CE1 1 ATOM 1879 C CE2 . PHE B 1 119 ? -35.006 -3.120 -4.906 1.00 21.67 ? 120 PHE B CE2 1 ATOM 1880 C CZ . PHE B 1 119 ? -34.745 -3.085 -6.333 1.00 23.25 ? 120 PHE B CZ 1 ATOM 1881 N N . THR B 1 120 ? -39.993 -6.727 -2.824 1.00 19.62 ? 121 THR B N 1 ATOM 1882 C CA . THR B 1 120 ? -41.292 -6.807 -2.156 1.00 22.98 ? 121 THR B CA 1 ATOM 1883 C C . THR B 1 120 ? -41.316 -5.729 -1.044 1.00 26.94 ? 121 THR B C 1 ATOM 1884 O O . THR B 1 120 ? -40.291 -5.220 -0.626 1.00 24.22 ? 121 THR B O 1 ATOM 1885 C CB . THR B 1 120 ? -41.547 -8.202 -1.521 1.00 23.79 ? 121 THR B CB 1 ATOM 1886 O OG1 . THR B 1 120 ? -40.388 -8.611 -0.813 1.00 26.95 ? 121 THR B OG1 1 ATOM 1887 C CG2 . THR B 1 120 ? -41.788 -9.235 -2.636 1.00 27.24 ? 121 THR B CG2 1 ATOM 1888 N N . ARG B 1 121 ? -42.507 -5.403 -0.571 1.00 31.00 ? 122 ARG B N 1 ATOM 1889 C CA . ARG B 1 121 ? -42.611 -4.395 0.515 1.00 35.80 ? 122 ARG B CA 1 ATOM 1890 C C . ARG B 1 121 ? -42.035 -4.789 1.904 1.00 38.74 ? 122 ARG B C 1 ATOM 1891 O O . ARG B 1 121 ? -41.955 -6.009 2.313 1.00 37.81 ? 122 ARG B O 1 ATOM 1892 C CB . ARG B 1 121 ? -44.073 -4.004 0.662 1.00 37.02 ? 122 ARG B CB 1 ATOM 1893 C CG . ARG B 1 121 ? -44.567 -3.236 -0.515 1.00 38.18 ? 122 ARG B CG 1 ATOM 1894 C CD . ARG B 1 121 ? -45.994 -2.651 -0.328 1.00 47.54 ? 122 ARG B CD 1 ATOM 1895 N NE . ARG B 1 121 ? -45.956 -1.301 -0.875 1.00 45.79 ? 122 ARG B NE 1 ATOM 1896 C CZ . ARG B 1 121 ? -47.021 -0.539 -1.188 1.00 49.13 ? 122 ARG B CZ 1 ATOM 1897 N NH1 . ARG B 1 121 ? -48.277 -0.988 -1.021 1.00 45.13 ? 122 ARG B NH1 1 ATOM 1898 N NH2 . ARG B 1 121 ? -46.821 0.696 -1.706 1.00 38.36 ? 122 ARG B NH2 1 ATOM 1899 N N . LEU B 1 122 ? -41.572 -3.762 2.640 1.00 40.33 ? 123 LEU B N 1 ATOM 1900 C CA . LEU B 1 122 ? -41.543 -3.862 4.135 1.00 44.85 ? 123 LEU B CA 1 ATOM 1901 C C . LEU B 1 122 ? -42.774 -3.150 4.752 1.00 47.60 ? 123 LEU B C 1 ATOM 1902 O O . LEU B 1 122 ? -43.028 -1.973 4.301 1.00 47.21 ? 123 LEU B O 1 ATOM 1903 C CB . LEU B 1 122 ? -40.271 -3.296 4.684 1.00 44.13 ? 123 LEU B CB 1 ATOM 1904 C CG . LEU B 1 122 ? -39.132 -4.230 4.197 1.00 41.92 ? 123 LEU B CG 1 ATOM 1905 C CD1 . LEU B 1 122 ? -37.818 -3.661 4.316 1.00 36.38 ? 123 LEU B CD1 1 ATOM 1906 C CD2 . LEU B 1 122 ? -39.103 -5.505 5.121 1.00 46.16 ? 123 LEU B CD2 1 ATOM 1907 O OXT . LEU B 1 122 ? -43.557 -3.717 5.628 1.00 48.30 ? 123 LEU B OXT 1 ATOM 1908 N N . ARG C 1 1 ? -19.137 -31.344 -3.845 1.00 31.48 ? 2 ARG C N 1 ATOM 1909 C CA . ARG C 1 1 ? -19.666 -32.215 -4.967 1.00 30.52 ? 2 ARG C CA 1 ATOM 1910 C C . ARG C 1 1 ? -19.142 -31.460 -6.146 1.00 29.95 ? 2 ARG C C 1 ATOM 1911 O O . ARG C 1 1 ? -18.978 -30.217 -6.067 1.00 31.95 ? 2 ARG C O 1 ATOM 1912 C CB . ARG C 1 1 ? -21.207 -32.108 -5.079 1.00 29.66 ? 2 ARG C CB 1 ATOM 1913 C CG . ARG C 1 1 ? -22.024 -32.839 -4.038 1.00 29.83 ? 2 ARG C CG 1 ATOM 1914 C CD . ARG C 1 1 ? -23.507 -32.617 -4.214 1.00 26.84 ? 2 ARG C CD 1 ATOM 1915 N NE . ARG C 1 1 ? -24.035 -33.284 -5.397 1.00 23.74 ? 2 ARG C NE 1 ATOM 1916 C CZ . ARG C 1 1 ? -25.280 -33.203 -5.802 1.00 24.63 ? 2 ARG C CZ 1 ATOM 1917 N NH1 . ARG C 1 1 ? -26.184 -32.449 -5.163 1.00 20.73 ? 2 ARG C NH1 1 ATOM 1918 N NH2 . ARG C 1 1 ? -25.655 -33.889 -6.901 1.00 27.07 ? 2 ARG C NH2 1 ATOM 1919 N N . LYS C 1 2 ? -19.096 -32.132 -7.285 1.00 29.12 ? 3 LYS C N 1 ATOM 1920 C CA . LYS C 1 2 ? -18.827 -31.424 -8.520 1.00 28.39 ? 3 LYS C CA 1 ATOM 1921 C C . LYS C 1 2 ? -20.196 -31.139 -9.104 1.00 27.44 ? 3 LYS C C 1 ATOM 1922 O O . LYS C 1 2 ? -21.114 -31.984 -9.024 1.00 26.63 ? 3 LYS C O 1 ATOM 1923 C CB . LYS C 1 2 ? -17.985 -32.357 -9.448 1.00 31.25 ? 3 LYS C CB 1 ATOM 1924 C CG . LYS C 1 2 ? -18.104 -32.142 -10.960 1.00 40.64 ? 3 LYS C CG 1 ATOM 1925 C CD . LYS C 1 2 ? -17.487 -33.346 -11.753 1.00 50.58 ? 3 LYS C CD 1 ATOM 1926 C CE . LYS C 1 2 ? -15.933 -33.499 -11.542 1.00 55.18 ? 3 LYS C CE 1 ATOM 1927 N NZ . LYS C 1 2 ? -15.238 -33.994 -12.841 1.00 57.56 ? 3 LYS C NZ 1 ATOM 1928 N N . CYS C 1 3 ? -20.390 -29.961 -9.705 1.00 24.10 ? 4 CYS C N 1 ATOM 1929 C CA . CYS C 1 3 ? -21.703 -29.674 -10.295 1.00 22.09 ? 4 CYS C CA 1 ATOM 1930 C C . CYS C 1 3 ? -21.656 -30.118 -11.749 1.00 22.76 ? 4 CYS C C 1 ATOM 1931 O O . CYS C 1 3 ? -20.778 -29.687 -12.538 1.00 23.36 ? 4 CYS C O 1 ATOM 1932 C CB . CYS C 1 3 ? -22.031 -28.129 -10.107 1.00 21.45 ? 4 CYS C CB 1 ATOM 1933 S SG . CYS C 1 3 ? -23.612 -27.700 -10.627 1.00 27.51 ? 4 CYS C SG 1 ATOM 1934 N N . SER C 1 4 ? -22.577 -31.002 -12.127 1.00 24.07 ? 5 SER C N 1 ATOM 1935 C CA . SER C 1 4 ? -22.552 -31.605 -13.452 1.00 24.80 ? 5 SER C CA 1 ATOM 1936 C C . SER C 1 4 ? -23.735 -31.106 -14.226 1.00 23.38 ? 5 SER C C 1 ATOM 1937 O O . SER C 1 4 ? -24.807 -31.115 -13.672 1.00 25.12 ? 5 SER C O 1 ATOM 1938 C CB . SER C 1 4 ? -22.709 -33.139 -13.225 1.00 24.89 ? 5 SER C CB 1 ATOM 1939 O OG . SER C 1 4 ? -22.774 -33.697 -14.527 1.00 34.39 ? 5 SER C OG 1 ATOM 1940 N N . LEU C 1 5 ? -23.595 -30.804 -15.514 1.00 23.47 ? 6 LEU C N 1 ATOM 1941 C CA . LEU C 1 5 ? -24.713 -30.326 -16.313 1.00 22.52 ? 6 LEU C CA 1 ATOM 1942 C C . LEU C 1 5 ? -25.666 -31.442 -16.765 1.00 22.65 ? 6 LEU C C 1 ATOM 1943 O O . LEU C 1 5 ? -26.823 -31.218 -17.179 1.00 20.81 ? 6 LEU C O 1 ATOM 1944 C CB . LEU C 1 5 ? -24.195 -29.628 -17.566 1.00 22.89 ? 6 LEU C CB 1 ATOM 1945 C CG . LEU C 1 5 ? -23.314 -28.409 -17.388 1.00 27.48 ? 6 LEU C CG 1 ATOM 1946 C CD1 . LEU C 1 5 ? -23.120 -27.817 -18.781 1.00 28.40 ? 6 LEU C CD1 1 ATOM 1947 C CD2 . LEU C 1 5 ? -23.913 -27.382 -16.443 1.00 27.43 ? 6 LEU C CD2 1 ATOM 1948 N N . THR C 1 6 ? -25.185 -32.661 -16.741 1.00 24.79 ? 7 THR C N 1 ATOM 1949 C CA . THR C 1 6 ? -25.904 -33.752 -17.416 1.00 25.43 ? 7 THR C CA 1 ATOM 1950 C C . THR C 1 6 ? -27.150 -34.126 -16.604 1.00 27.51 ? 7 THR C C 1 ATOM 1951 O O . THR C 1 6 ? -27.057 -34.239 -15.391 1.00 28.45 ? 7 THR C O 1 ATOM 1952 C CB . THR C 1 6 ? -24.968 -35.029 -17.545 1.00 26.36 ? 7 THR C CB 1 ATOM 1953 O OG1 . THR C 1 6 ? -23.862 -34.720 -18.430 1.00 26.88 ? 7 THR C OG1 1 ATOM 1954 C CG2 . THR C 1 6 ? -25.822 -36.272 -18.165 1.00 28.48 ? 7 THR C CG2 1 ATOM 1955 N N . GLY C 1 7 ? -28.304 -34.269 -17.244 1.00 26.84 ? 8 GLY C N 1 ATOM 1956 C CA . GLY C 1 7 ? -29.520 -34.649 -16.521 1.00 26.61 ? 8 GLY C CA 1 ATOM 1957 C C . GLY C 1 7 ? -30.724 -33.881 -17.016 1.00 26.40 ? 8 GLY C C 1 ATOM 1958 O O . GLY C 1 7 ? -30.600 -33.112 -17.989 1.00 24.34 ? 8 GLY C O 1 ATOM 1959 N N . LYS C 1 8 ? -31.837 -33.960 -16.264 1.00 25.06 ? 9 LYS C N 1 ATOM 1960 C CA . LYS C 1 8 ? -33.038 -33.302 -16.672 1.00 26.28 ? 9 LYS C CA 1 ATOM 1961 C C . LYS C 1 8 ? -33.241 -32.127 -15.682 1.00 24.01 ? 9 LYS C C 1 ATOM 1962 O O . LYS C 1 8 ? -33.130 -32.363 -14.490 1.00 26.71 ? 9 LYS C O 1 ATOM 1963 C CB . LYS C 1 8 ? -34.245 -34.234 -16.538 1.00 26.37 ? 9 LYS C CB 1 ATOM 1964 C CG . LYS C 1 8 ? -35.491 -33.638 -17.305 1.00 37.07 ? 9 LYS C CG 1 ATOM 1965 C CD . LYS C 1 8 ? -36.682 -34.731 -17.450 1.00 41.26 ? 9 LYS C CD 1 ATOM 1966 C CE . LYS C 1 8 ? -37.784 -34.251 -18.454 1.00 48.27 ? 9 LYS C CE 1 ATOM 1967 N NZ . LYS C 1 8 ? -38.975 -35.238 -18.356 1.00 46.15 ? 9 LYS C NZ 1 ATOM 1968 N N . TRP C 1 9 ? -33.555 -30.968 -16.224 1.00 24.37 ? 10 TRP C N 1 ATOM 1969 C CA . TRP C 1 9 ? -33.684 -29.722 -15.381 1.00 23.34 ? 10 TRP C CA 1 ATOM 1970 C C . TRP C 1 9 ? -35.044 -29.091 -15.576 1.00 24.58 ? 10 TRP C C 1 ATOM 1971 O O . TRP C 1 9 ? -35.656 -29.201 -16.633 1.00 24.44 ? 10 TRP C O 1 ATOM 1972 C CB . TRP C 1 9 ? -32.574 -28.747 -15.848 1.00 21.88 ? 10 TRP C CB 1 ATOM 1973 C CG . TRP C 1 9 ? -31.272 -29.222 -15.659 1.00 18.27 ? 10 TRP C CG 1 ATOM 1974 C CD1 . TRP C 1 9 ? -30.523 -29.967 -16.542 1.00 21.96 ? 10 TRP C CD1 1 ATOM 1975 C CD2 . TRP C 1 9 ? -30.445 -29.043 -14.504 1.00 22.49 ? 10 TRP C CD2 1 ATOM 1976 N NE1 . TRP C 1 9 ? -29.296 -30.259 -16.021 1.00 18.56 ? 10 TRP C NE1 1 ATOM 1977 C CE2 . TRP C 1 9 ? -29.220 -29.682 -14.763 1.00 19.75 ? 10 TRP C CE2 1 ATOM 1978 C CE3 . TRP C 1 9 ? -30.617 -28.338 -13.288 1.00 21.67 ? 10 TRP C CE3 1 ATOM 1979 C CZ2 . TRP C 1 9 ? -28.118 -29.626 -13.876 1.00 21.99 ? 10 TRP C CZ2 1 ATOM 1980 C CZ3 . TRP C 1 9 ? -29.514 -28.310 -12.356 1.00 18.80 ? 10 TRP C CZ3 1 ATOM 1981 C CH2 . TRP C 1 9 ? -28.300 -28.936 -12.670 1.00 21.34 ? 10 TRP C CH2 1 ATOM 1982 N N . THR C 1 10 ? -35.529 -28.282 -14.607 1.00 23.21 ? 11 THR C N 1 ATOM 1983 C CA . THR C 1 10 ? -36.746 -27.518 -14.870 1.00 25.05 ? 11 THR C CA 1 ATOM 1984 C C . THR C 1 10 ? -36.503 -26.095 -14.222 1.00 26.17 ? 11 THR C C 1 ATOM 1985 O O . THR C 1 10 ? -35.613 -25.950 -13.341 1.00 26.60 ? 11 THR C O 1 ATOM 1986 C CB . THR C 1 10 ? -38.005 -28.206 -14.193 1.00 24.64 ? 11 THR C CB 1 ATOM 1987 O OG1 . THR C 1 10 ? -39.195 -27.575 -14.665 1.00 26.81 ? 11 THR C OG1 1 ATOM 1988 C CG2 . THR C 1 10 ? -37.915 -28.175 -12.661 1.00 25.34 ? 11 THR C CG2 1 ATOM 1989 N N . ASN C 1 11 ? -37.295 -25.140 -14.635 1.00 25.69 ? 12 ASN C N 1 ATOM 1990 C CA . ASN C 1 11 ? -37.288 -23.743 -14.016 1.00 30.08 ? 12 ASN C CA 1 ATOM 1991 C C . ASN C 1 11 ? -38.699 -23.342 -13.481 1.00 32.30 ? 12 ASN C C 1 ATOM 1992 O O . ASN C 1 11 ? -39.584 -24.189 -13.497 1.00 33.19 ? 12 ASN C O 1 ATOM 1993 C CB . ASN C 1 11 ? -36.768 -22.747 -15.043 1.00 28.88 ? 12 ASN C CB 1 ATOM 1994 C CG . ASN C 1 11 ? -37.752 -22.489 -16.272 1.00 26.36 ? 12 ASN C CG 1 ATOM 1995 O OD1 . ASN C 1 11 ? -38.951 -22.704 -16.180 1.00 28.06 ? 12 ASN C OD1 1 ATOM 1996 N ND2 . ASN C 1 11 ? -37.231 -21.864 -17.320 1.00 28.92 ? 12 ASN C ND2 1 ATOM 1997 N N . ASP C 1 12 ? -38.923 -22.088 -13.001 1.00 35.20 ? 13 ASP C N 1 ATOM 1998 C CA . ASP C 1 12 ? -40.278 -21.717 -12.432 1.00 38.47 ? 13 ASP C CA 1 ATOM 1999 C C . ASP C 1 12 ? -41.469 -21.533 -13.391 1.00 38.23 ? 13 ASP C C 1 ATOM 2000 O O . ASP C 1 12 ? -42.661 -21.574 -12.965 1.00 38.30 ? 13 ASP C O 1 ATOM 2001 C CB . ASP C 1 12 ? -40.188 -20.523 -11.502 1.00 37.70 ? 13 ASP C CB 1 ATOM 2002 C CG . ASP C 1 12 ? -39.649 -20.917 -10.094 1.00 43.17 ? 13 ASP C CG 1 ATOM 2003 O OD1 . ASP C 1 12 ? -39.511 -20.032 -9.239 1.00 48.78 ? 13 ASP C OD1 1 ATOM 2004 O OD2 . ASP C 1 12 ? -39.348 -22.099 -9.822 1.00 41.57 ? 13 ASP C OD2 1 ATOM 2005 N N . LEU C 1 13 ? -41.126 -21.305 -14.661 1.00 39.39 ? 14 LEU C N 1 ATOM 2006 C CA . LEU C 1 13 ? -42.072 -21.371 -15.794 1.00 39.20 ? 14 LEU C CA 1 ATOM 2007 C C . LEU C 1 13 ? -42.588 -22.757 -16.041 1.00 37.33 ? 14 LEU C C 1 ATOM 2008 O O . LEU C 1 13 ? -43.622 -22.907 -16.697 1.00 38.09 ? 14 LEU C O 1 ATOM 2009 C CB . LEU C 1 13 ? -41.352 -20.879 -17.065 1.00 41.29 ? 14 LEU C CB 1 ATOM 2010 C CG . LEU C 1 13 ? -41.689 -19.441 -17.479 1.00 45.18 ? 14 LEU C CG 1 ATOM 2011 C CD1 . LEU C 1 13 ? -42.332 -18.583 -16.377 1.00 47.94 ? 14 LEU C CD1 1 ATOM 2012 C CD2 . LEU C 1 13 ? -40.452 -18.802 -18.071 1.00 51.02 ? 14 LEU C CD2 1 ATOM 2013 N N . GLY C 1 14 ? -41.935 -23.786 -15.522 1.00 34.94 ? 15 GLY C N 1 ATOM 2014 C CA . GLY C 1 14 ? -42.259 -25.135 -15.924 1.00 33.87 ? 15 GLY C CA 1 ATOM 2015 C C . GLY C 1 14 ? -41.593 -25.520 -17.254 1.00 33.07 ? 15 GLY C C 1 ATOM 2016 O O . GLY C 1 14 ? -41.853 -26.616 -17.759 1.00 35.17 ? 15 GLY C O 1 ATOM 2017 N N . SER C 1 15 ? -40.697 -24.681 -17.811 1.00 30.32 ? 16 SER C N 1 ATOM 2018 C CA . SER C 1 15 ? -39.847 -25.146 -18.955 1.00 27.20 ? 16 SER C CA 1 ATOM 2019 C C . SER C 1 15 ? -38.941 -26.293 -18.493 1.00 26.11 ? 16 SER C C 1 ATOM 2020 O O . SER C 1 15 ? -38.473 -26.332 -17.339 1.00 27.57 ? 16 SER C O 1 ATOM 2021 C CB . SER C 1 15 ? -39.021 -23.993 -19.617 1.00 23.39 ? 16 SER C CB 1 ATOM 2022 O OG . SER C 1 15 ? -39.894 -22.986 -20.103 1.00 24.23 ? 16 SER C OG 1 ATOM 2023 N N . ASN C 1 16 ? -38.669 -27.330 -19.322 1.00 27.18 ? 17 ASN C N 1 ATOM 2024 C CA . ASN C 1 16 ? -37.739 -28.367 -18.936 1.00 25.54 ? 17 ASN C CA 1 ATOM 2025 C C . ASN C 1 16 ? -36.645 -28.453 -19.972 1.00 24.08 ? 17 ASN C C 1 ATOM 2026 O O . ASN C 1 16 ? -36.808 -28.091 -21.084 1.00 22.66 ? 17 ASN C O 1 ATOM 2027 C CB . ASN C 1 16 ? -38.336 -29.778 -18.858 1.00 27.01 ? 17 ASN C CB 1 ATOM 2028 C CG . ASN C 1 16 ? -39.602 -29.803 -18.016 1.00 34.01 ? 17 ASN C CG 1 ATOM 2029 O OD1 . ASN C 1 16 ? -39.539 -29.360 -16.858 1.00 39.62 ? 17 ASN C OD1 1 ATOM 2030 N ND2 . ASN C 1 16 ? -40.760 -30.314 -18.578 1.00 27.73 ? 17 ASN C ND2 1 ATOM 2031 N N . MET C 1 17 ? -35.502 -28.915 -19.572 1.00 24.60 ? 18 MET C N 1 ATOM 2032 C CA . MET C 1 17 ? -34.440 -29.192 -20.546 1.00 25.28 ? 18 MET C CA 1 ATOM 2033 C C . MET C 1 17 ? -33.675 -30.411 -20.099 1.00 25.58 ? 18 MET C C 1 ATOM 2034 O O . MET C 1 17 ? -33.502 -30.704 -18.886 1.00 26.18 ? 18 MET C O 1 ATOM 2035 C CB . MET C 1 17 ? -33.525 -27.949 -20.826 1.00 27.14 ? 18 MET C CB 1 ATOM 2036 C CG . MET C 1 17 ? -32.446 -27.844 -19.825 1.00 23.78 ? 18 MET C CG 1 ATOM 2037 S SD . MET C 1 17 ? -31.204 -26.553 -20.355 1.00 21.76 ? 18 MET C SD 1 ATOM 2038 C CE . MET C 1 17 ? -30.490 -26.425 -18.678 1.00 17.79 ? 18 MET C CE 1 ATOM 2039 N N . THR C 1 18 ? -33.190 -31.204 -21.083 1.00 25.76 ? 19 THR C N 1 ATOM 2040 C CA . THR C 1 18 ? -32.405 -32.346 -20.827 1.00 27.17 ? 19 THR C CA 1 ATOM 2041 C C . THR C 1 18 ? -31.037 -32.173 -21.479 1.00 27.74 ? 19 THR C C 1 ATOM 2042 O O . THR C 1 18 ? -30.959 -31.730 -22.617 1.00 29.98 ? 19 THR C O 1 ATOM 2043 C CB . THR C 1 18 ? -33.065 -33.573 -21.419 1.00 28.90 ? 19 THR C CB 1 ATOM 2044 O OG1 . THR C 1 18 ? -34.324 -33.708 -20.743 1.00 32.84 ? 19 THR C OG1 1 ATOM 2045 C CG2 . THR C 1 18 ? -32.284 -34.747 -21.097 1.00 32.29 ? 19 THR C CG2 1 ATOM 2046 N N . ILE C 1 19 ? -29.993 -32.315 -20.680 1.00 24.44 ? 20 ILE C N 1 ATOM 2047 C CA . ILE C 1 19 ? -28.608 -32.201 -21.201 1.00 24.74 ? 20 ILE C CA 1 ATOM 2048 C C . ILE C 1 19 ? -27.958 -33.602 -21.150 1.00 25.67 ? 20 ILE C C 1 ATOM 2049 O O . ILE C 1 19 ? -27.950 -34.318 -20.076 1.00 25.00 ? 20 ILE C O 1 ATOM 2050 C CB . ILE C 1 19 ? -27.803 -31.188 -20.413 1.00 23.62 ? 20 ILE C CB 1 ATOM 2051 C CG1 . ILE C 1 19 ? -28.402 -29.749 -20.671 1.00 25.27 ? 20 ILE C CG1 1 ATOM 2052 C CG2 . ILE C 1 19 ? -26.305 -31.170 -20.912 1.00 22.37 ? 20 ILE C CG2 1 ATOM 2053 C CD1 . ILE C 1 19 ? -27.740 -28.632 -19.825 1.00 22.69 ? 20 ILE C CD1 1 ATOM 2054 N N . GLY C 1 20 ? -27.307 -33.981 -22.252 1.00 25.83 ? 21 GLY C N 1 ATOM 2055 C CA . GLY C 1 20 ? -26.647 -35.267 -22.252 1.00 27.45 ? 21 GLY C CA 1 ATOM 2056 C C . GLY C 1 20 ? -25.264 -35.262 -21.640 1.00 27.60 ? 21 GLY C C 1 ATOM 2057 O O . GLY C 1 20 ? -24.862 -34.372 -20.873 1.00 26.60 ? 21 GLY C O 1 ATOM 2058 N N . ALA C 1 21 ? -24.514 -36.297 -21.981 1.00 26.49 ? 22 ALA C N 1 ATOM 2059 C CA . ALA C 1 21 ? -23.155 -36.405 -21.469 1.00 27.42 ? 22 ALA C CA 1 ATOM 2060 C C . ALA C 1 21 ? -22.267 -35.244 -22.008 1.00 27.23 ? 22 ALA C C 1 ATOM 2061 O O . ALA C 1 21 ? -22.380 -34.831 -23.142 1.00 25.81 ? 22 ALA C O 1 ATOM 2062 C CB . ALA C 1 21 ? -22.539 -37.730 -21.968 1.00 30.08 ? 22 ALA C CB 1 ATOM 2063 N N . VAL C 1 22 ? -21.363 -34.762 -21.185 1.00 27.42 ? 23 VAL C N 1 ATOM 2064 C CA . VAL C 1 22 ? -20.409 -33.749 -21.646 1.00 28.21 ? 23 VAL C CA 1 ATOM 2065 C C . VAL C 1 22 ? -19.124 -34.459 -22.113 1.00 28.76 ? 23 VAL C C 1 ATOM 2066 O O . VAL C 1 22 ? -18.525 -35.196 -21.317 1.00 30.32 ? 23 VAL C O 1 ATOM 2067 C CB . VAL C 1 22 ? -20.077 -32.742 -20.495 1.00 26.64 ? 23 VAL C CB 1 ATOM 2068 C CG1 . VAL C 1 22 ? -18.971 -31.772 -20.904 1.00 26.36 ? 23 VAL C CG1 1 ATOM 2069 C CG2 . VAL C 1 22 ? -21.327 -32.098 -19.933 1.00 24.98 ? 23 VAL C CG2 1 ATOM 2070 N N . ASN C 1 23 ? -18.627 -34.185 -23.316 1.00 27.35 ? 24 ASN C N 1 ATOM 2071 C CA . ASN C 1 23 ? -17.493 -34.966 -23.861 1.00 27.47 ? 24 ASN C CA 1 ATOM 2072 C C . ASN C 1 23 ? -16.154 -34.330 -23.409 1.00 28.96 ? 24 ASN C C 1 ATOM 2073 O O . ASN C 1 23 ? -16.129 -33.365 -22.559 1.00 26.05 ? 24 ASN C O 1 ATOM 2074 C CB . ASN C 1 23 ? -17.695 -35.178 -25.333 1.00 28.06 ? 24 ASN C CB 1 ATOM 2075 C CG . ASN C 1 23 ? -17.334 -33.974 -26.150 1.00 29.84 ? 24 ASN C CG 1 ATOM 2076 O OD1 . ASN C 1 23 ? -16.836 -32.987 -25.606 1.00 23.32 ? 24 ASN C OD1 1 ATOM 2077 N ND2 . ASN C 1 23 ? -17.637 -34.011 -27.430 1.00 29.80 ? 24 ASN C ND2 1 ATOM 2078 N N . SER C 1 24 ? -15.040 -34.848 -23.915 1.00 31.84 ? 25 SER C N 1 ATOM 2079 C CA . SER C 1 24 ? -13.764 -34.401 -23.325 1.00 34.63 ? 25 SER C CA 1 ATOM 2080 C C . SER C 1 24 ? -13.385 -33.002 -23.805 1.00 34.89 ? 25 SER C C 1 ATOM 2081 O O . SER C 1 24 ? -12.610 -32.327 -23.145 1.00 37.05 ? 25 SER C O 1 ATOM 2082 C CB . SER C 1 24 ? -12.566 -35.398 -23.535 1.00 35.49 ? 25 SER C CB 1 ATOM 2083 O OG . SER C 1 24 ? -12.391 -35.552 -24.929 1.00 42.08 ? 25 SER C OG 1 ATOM 2084 N N . ARG C 1 25 ? -13.982 -32.558 -24.892 1.00 34.86 ? 26 ARG C N 1 ATOM 2085 C CA . ARG C 1 25 ? -13.838 -31.167 -25.277 1.00 32.50 ? 26 ARG C CA 1 ATOM 2086 C C . ARG C 1 25 ? -14.904 -30.213 -24.617 1.00 30.18 ? 26 ARG C C 1 ATOM 2087 O O . ARG C 1 25 ? -15.022 -29.064 -25.104 1.00 29.73 ? 26 ARG C O 1 ATOM 2088 C CB . ARG C 1 25 ? -13.995 -31.119 -26.774 1.00 32.31 ? 26 ARG C CB 1 ATOM 2089 C CG . ARG C 1 25 ? -12.700 -31.433 -27.674 1.00 41.34 ? 26 ARG C CG 1 ATOM 2090 C CD . ARG C 1 25 ? -13.235 -31.798 -29.139 1.00 47.02 ? 26 ARG C CD 1 ATOM 2091 N NE . ARG C 1 25 ? -13.962 -33.088 -29.083 1.00 56.04 ? 26 ARG C NE 1 ATOM 2092 C CZ . ARG C 1 25 ? -14.826 -33.592 -29.983 1.00 58.98 ? 26 ARG C CZ 1 ATOM 2093 N NH1 . ARG C 1 25 ? -15.153 -32.931 -31.101 1.00 59.87 ? 26 ARG C NH1 1 ATOM 2094 N NH2 . ARG C 1 25 ? -15.360 -34.805 -29.763 1.00 60.32 ? 26 ARG C NH2 1 ATOM 2095 N N . GLY C 1 26 ? -15.678 -30.668 -23.607 1.00 26.79 ? 27 GLY C N 1 ATOM 2096 C CA . GLY C 1 26 ? -16.681 -29.845 -22.897 1.00 25.12 ? 27 GLY C CA 1 ATOM 2097 C C . GLY C 1 26 ? -17.975 -29.676 -23.666 1.00 23.49 ? 27 GLY C C 1 ATOM 2098 O O . GLY C 1 26 ? -18.845 -28.941 -23.220 1.00 23.04 ? 27 GLY C O 1 ATOM 2099 N N . GLU C 1 27 ? -18.131 -30.376 -24.770 1.00 23.70 ? 28 GLU C N 1 ATOM 2100 C CA . GLU C 1 27 ? -19.365 -30.251 -25.605 1.00 20.83 ? 28 GLU C CA 1 ATOM 2101 C C . GLU C 1 27 ? -20.500 -31.094 -25.093 1.00 22.34 ? 28 GLU C C 1 ATOM 2102 O O . GLU C 1 27 ? -20.336 -32.275 -24.581 1.00 23.19 ? 28 GLU C O 1 ATOM 2103 C CB . GLU C 1 27 ? -19.116 -30.715 -27.033 1.00 22.29 ? 28 GLU C CB 1 ATOM 2104 C CG . GLU C 1 27 ? -18.040 -29.768 -27.702 1.00 22.38 ? 28 GLU C CG 1 ATOM 2105 C CD . GLU C 1 27 ? -17.295 -30.389 -28.929 1.00 37.98 ? 28 GLU C CD 1 ATOM 2106 O OE1 . GLU C 1 27 ? -16.504 -29.640 -29.583 1.00 40.52 ? 28 GLU C OE1 1 ATOM 2107 O OE2 . GLU C 1 27 ? -17.441 -31.617 -29.213 1.00 34.62 ? 28 GLU C OE2 1 ATOM 2108 N N . PHE C 1 28 ? -21.726 -30.550 -25.252 1.00 19.49 ? 29 PHE C N 1 ATOM 2109 C CA . PHE C 1 28 ? -22.867 -31.325 -24.936 1.00 17.89 ? 29 PHE C CA 1 ATOM 2110 C C . PHE C 1 28 ? -24.034 -30.949 -25.862 1.00 18.66 ? 29 PHE C C 1 ATOM 2111 O O . PHE C 1 28 ? -24.019 -29.886 -26.508 1.00 18.08 ? 29 PHE C O 1 ATOM 2112 C CB . PHE C 1 28 ? -23.323 -31.158 -23.485 1.00 19.96 ? 29 PHE C CB 1 ATOM 2113 C CG . PHE C 1 28 ? -23.569 -29.723 -23.085 1.00 17.98 ? 29 PHE C CG 1 ATOM 2114 C CD1 . PHE C 1 28 ? -24.847 -29.088 -23.352 1.00 20.49 ? 29 PHE C CD1 1 ATOM 2115 C CD2 . PHE C 1 28 ? -22.560 -28.972 -22.486 1.00 20.58 ? 29 PHE C CD2 1 ATOM 2116 C CE1 . PHE C 1 28 ? -25.066 -27.652 -23.000 1.00 20.06 ? 29 PHE C CE1 1 ATOM 2117 C CE2 . PHE C 1 28 ? -22.818 -27.555 -22.141 1.00 21.10 ? 29 PHE C CE2 1 ATOM 2118 C CZ . PHE C 1 28 ? -24.029 -26.926 -22.333 1.00 20.22 ? 29 PHE C CZ 1 ATOM 2119 N N . THR C 1 29 ? -24.969 -31.864 -25.910 1.00 21.72 ? 30 THR C N 1 ATOM 2120 C CA . THR C 1 29 ? -26.188 -31.687 -26.688 1.00 22.76 ? 30 THR C CA 1 ATOM 2121 C C . THR C 1 29 ? -27.361 -31.916 -25.760 1.00 22.52 ? 30 THR C C 1 ATOM 2122 O O . THR C 1 29 ? -27.210 -32.657 -24.783 1.00 25.41 ? 30 THR C O 1 ATOM 2123 C CB . THR C 1 29 ? -26.196 -32.737 -27.828 1.00 23.69 ? 30 THR C CB 1 ATOM 2124 O OG1 . THR C 1 29 ? -25.127 -32.363 -28.727 1.00 29.59 ? 30 THR C OG1 1 ATOM 2125 C CG2 . THR C 1 29 ? -27.466 -32.640 -28.644 1.00 29.56 ? 30 THR C CG2 1 ATOM 2126 N N . GLY C 1 30 ? -28.553 -31.373 -26.082 1.00 22.25 ? 31 GLY C N 1 ATOM 2127 C CA . GLY C 1 30 ? -29.724 -31.670 -25.247 1.00 20.97 ? 31 GLY C CA 1 ATOM 2128 C C . GLY C 1 30 ? -31.000 -31.346 -25.955 1.00 22.17 ? 31 GLY C C 1 ATOM 2129 O O . GLY C 1 30 ? -30.974 -30.997 -27.206 1.00 21.28 ? 31 GLY C O 1 ATOM 2130 N N . THR C 1 31 ? -32.083 -31.257 -25.162 1.00 22.50 ? 32 THR C N 1 ATOM 2131 C CA . THR C 1 31 ? -33.336 -30.749 -25.746 1.00 25.77 ? 32 THR C CA 1 ATOM 2132 C C . THR C 1 31 ? -33.938 -29.802 -24.708 1.00 24.58 ? 32 THR C C 1 ATOM 2133 O O . THR C 1 31 ? -33.710 -29.988 -23.494 1.00 26.61 ? 32 THR C O 1 ATOM 2134 C CB . THR C 1 31 ? -34.273 -31.840 -25.988 1.00 25.68 ? 32 THR C CB 1 ATOM 2135 O OG1 . THR C 1 31 ? -34.581 -32.412 -24.750 1.00 31.01 ? 32 THR C OG1 1 ATOM 2136 C CG2 . THR C 1 31 ? -33.602 -33.056 -26.846 1.00 28.99 ? 32 THR C CG2 1 ATOM 2137 N N . TYR C 1 32 ? -34.680 -28.864 -25.221 1.00 23.94 ? 33 TYR C N 1 ATOM 2138 C CA . TYR C 1 32 ? -35.380 -27.851 -24.436 1.00 22.96 ? 33 TYR C CA 1 ATOM 2139 C C . TYR C 1 32 ? -36.879 -27.863 -24.811 1.00 23.95 ? 33 TYR C C 1 ATOM 2140 O O . TYR C 1 32 ? -37.176 -27.659 -25.991 1.00 25.59 ? 33 TYR C O 1 ATOM 2141 C CB . TYR C 1 32 ? -34.815 -26.481 -24.809 1.00 20.72 ? 33 TYR C CB 1 ATOM 2142 C CG . TYR C 1 32 ? -35.037 -25.409 -23.690 1.00 23.75 ? 33 TYR C CG 1 ATOM 2143 C CD1 . TYR C 1 32 ? -34.020 -25.059 -22.806 1.00 20.59 ? 33 TYR C CD1 1 ATOM 2144 C CD2 . TYR C 1 32 ? -36.245 -24.828 -23.499 1.00 18.09 ? 33 TYR C CD2 1 ATOM 2145 C CE1 . TYR C 1 32 ? -34.218 -24.150 -21.800 1.00 21.22 ? 33 TYR C CE1 1 ATOM 2146 C CE2 . TYR C 1 32 ? -36.486 -23.854 -22.470 1.00 24.04 ? 33 TYR C CE2 1 ATOM 2147 C CZ . TYR C 1 32 ? -35.402 -23.523 -21.631 1.00 23.30 ? 33 TYR C CZ 1 ATOM 2148 O OH . TYR C 1 32 ? -35.621 -22.604 -20.675 1.00 22.89 ? 33 TYR C OH 1 ATOM 2149 N N . ILE C 1 33 ? -37.731 -27.977 -23.790 1.00 25.96 ? 34 ILE C N 1 ATOM 2150 C CA . ILE C 1 33 ? -39.213 -27.715 -24.003 1.00 27.03 ? 34 ILE C CA 1 ATOM 2151 C C . ILE C 1 33 ? -39.659 -26.449 -23.256 1.00 23.06 ? 34 ILE C C 1 ATOM 2152 O O . ILE C 1 33 ? -39.744 -26.508 -22.017 1.00 29.85 ? 34 ILE C O 1 ATOM 2153 C CB . ILE C 1 33 ? -39.979 -29.061 -23.664 1.00 28.07 ? 34 ILE C CB 1 ATOM 2154 C CG1 . ILE C 1 33 ? -41.478 -28.951 -23.854 1.00 33.52 ? 34 ILE C CG1 1 ATOM 2155 C CG2 . ILE C 1 33 ? -39.678 -29.694 -22.362 1.00 27.61 ? 34 ILE C CG2 1 ATOM 2156 C CD1 . ILE C 1 33 ? -41.797 -28.740 -25.348 1.00 39.17 ? 34 ILE C CD1 1 ATOM 2157 N N . THR C 1 34 ? -39.837 -25.347 -23.957 1.00 27.83 ? 35 THR C N 1 ATOM 2158 C CA . THR C 1 34 ? -40.273 -24.081 -23.354 1.00 26.58 ? 35 THR C CA 1 ATOM 2159 C C . THR C 1 34 ? -41.793 -24.152 -22.984 1.00 31.72 ? 35 THR C C 1 ATOM 2160 O O . THR C 1 34 ? -42.613 -24.738 -23.761 1.00 32.15 ? 35 THR C O 1 ATOM 2161 C CB . THR C 1 34 ? -39.950 -22.868 -24.099 1.00 26.57 ? 35 THR C CB 1 ATOM 2162 O OG1 . THR C 1 34 ? -40.365 -21.701 -23.332 1.00 27.37 ? 35 THR C OG1 1 ATOM 2163 C CG2 . THR C 1 34 ? -40.647 -22.691 -25.521 1.00 25.04 ? 35 THR C CG2 1 ATOM 2164 N N . ALA C 1 35 ? -42.129 -23.556 -21.833 1.00 32.04 ? 36 ALA C N 1 ATOM 2165 C CA . ALA C 1 35 ? -43.570 -23.231 -21.467 1.00 31.24 ? 36 ALA C CA 1 ATOM 2166 C C . ALA C 1 35 ? -44.154 -22.000 -22.067 1.00 33.12 ? 36 ALA C C 1 ATOM 2167 O O . ALA C 1 35 ? -45.416 -21.853 -21.997 1.00 33.49 ? 36 ALA C O 1 ATOM 2168 C CB . ALA C 1 35 ? -43.768 -23.253 -19.984 1.00 34.72 ? 36 ALA C CB 1 ATOM 2169 N N . VAL C 1 36 ? -43.333 -21.067 -22.605 1.00 28.76 ? 37 VAL C N 1 ATOM 2170 C CA . VAL C 1 36 ? -43.853 -19.822 -23.117 1.00 28.76 ? 37 VAL C CA 1 ATOM 2171 C C . VAL C 1 36 ? -43.218 -19.414 -24.451 1.00 26.95 ? 37 VAL C C 1 ATOM 2172 O O . VAL C 1 36 ? -42.086 -19.888 -24.794 1.00 31.15 ? 37 VAL C O 1 ATOM 2173 C CB . VAL C 1 36 ? -43.587 -18.736 -21.972 1.00 28.83 ? 37 VAL C CB 1 ATOM 2174 C CG1 . VAL C 1 36 ? -44.353 -19.056 -20.745 1.00 33.09 ? 37 VAL C CG1 1 ATOM 2175 C CG2 . VAL C 1 36 ? -42.066 -18.760 -21.700 1.00 30.17 ? 37 VAL C CG2 1 ATOM 2176 N N . THR C 1 37 ? -43.814 -18.521 -25.230 1.00 26.57 ? 38 THR C N 1 ATOM 2177 C CA . THR C 1 37 ? -43.133 -18.053 -26.390 1.00 25.36 ? 38 THR C CA 1 ATOM 2178 C C . THR C 1 37 ? -43.482 -16.594 -26.630 1.00 29.23 ? 38 THR C C 1 ATOM 2179 O O . THR C 1 37 ? -44.650 -16.156 -26.334 1.00 31.83 ? 38 THR C O 1 ATOM 2180 C CB . THR C 1 37 ? -43.515 -19.004 -27.647 1.00 24.84 ? 38 THR C CB 1 ATOM 2181 O OG1 . THR C 1 37 ? -42.939 -18.372 -28.808 1.00 28.89 ? 38 THR C OG1 1 ATOM 2182 C CG2 . THR C 1 37 ? -45.025 -19.125 -27.779 1.00 26.55 ? 38 THR C CG2 1 ATOM 2183 N N . ALA C 1 38 ? -42.640 -15.859 -27.306 1.00 28.12 ? 39 ALA C N 1 ATOM 2184 C CA . ALA C 1 38 ? -42.993 -14.507 -27.668 1.00 32.36 ? 39 ALA C CA 1 ATOM 2185 C C . ALA C 1 38 ? -43.693 -14.531 -29.052 1.00 31.95 ? 39 ALA C C 1 ATOM 2186 O O . ALA C 1 38 ? -44.016 -13.464 -29.622 1.00 36.57 ? 39 ALA C O 1 ATOM 2187 C CB . ALA C 1 38 ? -41.788 -13.717 -27.764 1.00 29.77 ? 39 ALA C CB 1 ATOM 2188 N N . THR C 1 39 ? -43.749 -15.699 -29.649 1.00 33.02 ? 40 THR C N 1 ATOM 2189 C CA . THR C 1 39 ? -44.408 -15.798 -30.991 1.00 32.47 ? 40 THR C CA 1 ATOM 2190 C C . THR C 1 39 ? -45.917 -16.175 -30.940 1.00 33.51 ? 40 THR C C 1 ATOM 2191 O O . THR C 1 39 ? -46.419 -16.624 -29.913 1.00 30.58 ? 40 THR C O 1 ATOM 2192 C CB . THR C 1 39 ? -43.721 -16.808 -31.983 1.00 32.14 ? 40 THR C CB 1 ATOM 2193 O OG1 . THR C 1 39 ? -43.985 -18.136 -31.510 1.00 32.38 ? 40 THR C OG1 1 ATOM 2194 C CG2 . THR C 1 39 ? -42.139 -16.594 -32.096 1.00 32.13 ? 40 THR C CG2 1 ATOM 2195 N N . SER C 1 40 ? -46.599 -16.122 -32.111 1.00 35.50 ? 41 SER C N 1 ATOM 2196 C CA . SER C 1 40 ? -48.017 -16.603 -32.198 1.00 36.20 ? 41 SER C CA 1 ATOM 2197 C C . SER C 1 40 ? -48.019 -18.043 -32.732 1.00 37.50 ? 41 SER C C 1 ATOM 2198 O O . SER C 1 40 ? -48.997 -18.554 -33.374 1.00 33.76 ? 41 SER C O 1 ATOM 2199 C CB . SER C 1 40 ? -48.788 -15.667 -33.113 1.00 38.17 ? 41 SER C CB 1 ATOM 2200 O OG . SER C 1 40 ? -48.097 -15.705 -34.325 1.00 41.82 ? 41 SER C OG 1 ATOM 2201 N N . ASN C 1 41 ? -46.938 -18.737 -32.424 1.00 35.13 ? 42 ASN C N 1 ATOM 2202 C CA . ASN C 1 41 ? -46.719 -20.063 -32.977 1.00 36.22 ? 42 ASN C CA 1 ATOM 2203 C C . ASN C 1 41 ? -46.861 -21.208 -31.968 1.00 34.50 ? 42 ASN C C 1 ATOM 2204 O O . ASN C 1 41 ? -46.773 -21.081 -30.754 1.00 35.99 ? 42 ASN C O 1 ATOM 2205 C CB . ASN C 1 41 ? -45.352 -20.152 -33.716 1.00 35.93 ? 42 ASN C CB 1 ATOM 2206 N N . GLU C 1 42 ? -47.010 -22.368 -32.539 1.00 33.03 ? 43 GLU C N 1 ATOM 2207 C CA . GLU C 1 42 ? -47.158 -23.578 -31.727 1.00 30.75 ? 43 GLU C CA 1 ATOM 2208 C C . GLU C 1 42 ? -45.722 -23.997 -31.325 1.00 31.62 ? 43 GLU C C 1 ATOM 2209 O O . GLU C 1 42 ? -44.840 -24.030 -32.185 1.00 29.87 ? 43 GLU C O 1 ATOM 2210 C CB . GLU C 1 42 ? -47.726 -24.692 -32.696 1.00 32.00 ? 43 GLU C CB 1 ATOM 2211 C CG . GLU C 1 42 ? -47.801 -26.072 -32.070 1.00 37.08 ? 43 GLU C CG 1 ATOM 2212 C CD . GLU C 1 42 ? -48.522 -26.158 -30.741 1.00 43.27 ? 43 GLU C CD 1 ATOM 2213 O OE1 . GLU C 1 42 ? -49.332 -25.305 -30.331 1.00 46.59 ? 43 GLU C OE1 1 ATOM 2214 O OE2 . GLU C 1 42 ? -48.298 -27.203 -30.071 1.00 53.82 ? 43 GLU C OE2 1 ATOM 2215 N N . ILE C 1 43 ? -45.565 -24.364 -30.048 1.00 33.39 ? 44 ILE C N 1 ATOM 2216 C CA . ILE C 1 43 ? -44.285 -24.700 -29.404 1.00 36.66 ? 44 ILE C CA 1 ATOM 2217 C C . ILE C 1 43 ? -44.002 -26.164 -29.700 1.00 36.59 ? 44 ILE C C 1 ATOM 2218 O O . ILE C 1 43 ? -44.898 -26.974 -29.647 1.00 35.51 ? 44 ILE C O 1 ATOM 2219 C CB . ILE C 1 43 ? -44.342 -24.581 -27.844 1.00 34.96 ? 44 ILE C CB 1 ATOM 2220 C CG1 . ILE C 1 43 ? -44.383 -23.068 -27.435 1.00 34.13 ? 44 ILE C CG1 1 ATOM 2221 C CG2 . ILE C 1 43 ? -43.083 -25.325 -27.213 1.00 38.79 ? 44 ILE C CG2 1 ATOM 2222 C CD1 . ILE C 1 43 ? -44.951 -22.880 -25.994 1.00 41.09 ? 44 ILE C CD1 1 ATOM 2223 N N . LYS C 1 44 ? -42.734 -26.477 -29.969 1.00 36.91 ? 45 LYS C N 1 ATOM 2224 C CA . LYS C 1 44 ? -42.256 -27.859 -30.091 1.00 37.71 ? 45 LYS C CA 1 ATOM 2225 C C . LYS C 1 44 ? -40.907 -27.948 -29.352 1.00 36.90 ? 45 LYS C C 1 ATOM 2226 O O . LYS C 1 44 ? -40.153 -26.929 -29.364 1.00 32.89 ? 45 LYS C O 1 ATOM 2227 C CB . LYS C 1 44 ? -42.037 -28.173 -31.583 1.00 38.15 ? 45 LYS C CB 1 ATOM 2228 C CG . LYS C 1 44 ? -41.726 -29.676 -31.880 1.00 46.87 ? 45 LYS C CG 1 ATOM 2229 C CD . LYS C 1 44 ? -42.454 -30.658 -30.876 1.00 56.66 ? 45 LYS C CD 1 ATOM 2230 C CE . LYS C 1 44 ? -42.292 -32.091 -31.323 1.00 58.35 ? 45 LYS C CE 1 ATOM 2231 N NZ . LYS C 1 44 ? -43.460 -32.770 -30.786 1.00 61.42 ? 45 LYS C NZ 1 ATOM 2232 N N . GLU C 1 45 ? -40.625 -29.122 -28.783 1.00 33.44 ? 46 GLU C N 1 ATOM 2233 C CA . GLU C 1 45 ? -39.283 -29.484 -28.245 1.00 34.81 ? 46 GLU C CA 1 ATOM 2234 C C . GLU C 1 45 ? -38.234 -29.020 -29.269 1.00 30.33 ? 46 GLU C C 1 ATOM 2235 O O . GLU C 1 45 ? -38.371 -29.178 -30.527 1.00 29.04 ? 46 GLU C O 1 ATOM 2236 C CB . GLU C 1 45 ? -39.217 -30.955 -28.061 1.00 33.76 ? 46 GLU C CB 1 ATOM 2237 C CG . GLU C 1 45 ? -38.073 -31.441 -27.279 1.00 43.54 ? 46 GLU C CG 1 ATOM 2238 C CD . GLU C 1 45 ? -37.722 -32.894 -27.581 1.00 53.28 ? 46 GLU C CD 1 ATOM 2239 O OE1 . GLU C 1 45 ? -37.357 -33.233 -28.769 1.00 56.79 ? 46 GLU C OE1 1 ATOM 2240 O OE2 . GLU C 1 45 ? -37.776 -33.693 -26.630 1.00 53.50 ? 46 GLU C OE2 1 ATOM 2241 N N . SER C 1 46 ? -37.083 -28.559 -28.769 1.00 27.11 ? 47 SER C N 1 ATOM 2242 C CA . SER C 1 46 ? -36.094 -28.087 -29.695 1.00 24.81 ? 47 SER C CA 1 ATOM 2243 C C . SER C 1 46 ? -34.694 -28.482 -29.160 1.00 24.17 ? 47 SER C C 1 ATOM 2244 O O . SER C 1 46 ? -34.507 -28.589 -27.956 1.00 23.88 ? 47 SER C O 1 ATOM 2245 C CB . SER C 1 46 ? -36.149 -26.572 -29.843 1.00 25.90 ? 47 SER C CB 1 ATOM 2246 O OG . SER C 1 46 ? -37.438 -26.129 -30.335 1.00 26.26 ? 47 SER C OG 1 ATOM 2247 N N . PRO C 1 47 ? -33.751 -28.684 -30.087 1.00 23.51 ? 48 PRO C N 1 ATOM 2248 C CA . PRO C 1 47 ? -32.405 -29.132 -29.699 1.00 22.23 ? 48 PRO C CA 1 ATOM 2249 C C . PRO C 1 47 ? -31.592 -27.940 -29.100 1.00 21.42 ? 48 PRO C C 1 ATOM 2250 O O . PRO C 1 47 ? -31.781 -26.749 -29.501 1.00 19.34 ? 48 PRO C O 1 ATOM 2251 C CB . PRO C 1 47 ? -31.797 -29.626 -31.025 1.00 25.48 ? 48 PRO C CB 1 ATOM 2252 C CG . PRO C 1 47 ? -32.374 -28.739 -32.079 1.00 25.58 ? 48 PRO C CG 1 ATOM 2253 C CD . PRO C 1 47 ? -33.877 -28.457 -31.558 1.00 23.82 ? 48 PRO C CD 1 ATOM 2254 N N . LEU C 1 48 ? -30.635 -28.312 -28.253 1.00 20.90 ? 49 LEU C N 1 ATOM 2255 C CA . LEU C 1 48 ? -29.696 -27.298 -27.798 1.00 20.24 ? 49 LEU C CA 1 ATOM 2256 C C . LEU C 1 48 ? -28.297 -27.869 -27.893 1.00 19.30 ? 49 LEU C C 1 ATOM 2257 O O . LEU C 1 48 ? -28.121 -29.116 -27.926 1.00 20.68 ? 49 LEU C O 1 ATOM 2258 C CB . LEU C 1 48 ? -29.968 -26.914 -26.307 1.00 18.61 ? 49 LEU C CB 1 ATOM 2259 C CG . LEU C 1 48 ? -29.843 -28.021 -25.251 1.00 19.50 ? 49 LEU C CG 1 ATOM 2260 C CD1 . LEU C 1 48 ? -28.331 -27.947 -24.736 1.00 16.94 ? 49 LEU C CD1 1 ATOM 2261 C CD2 . LEU C 1 48 ? -30.730 -27.856 -24.032 1.00 27.48 ? 49 LEU C CD2 1 ATOM 2262 N N . HIS C 1 49 ? -27.355 -26.981 -28.085 1.00 18.23 ? 50 HIS C N 1 ATOM 2263 C CA . HIS C 1 49 ? -25.917 -27.431 -28.110 1.00 19.48 ? 50 HIS C CA 1 ATOM 2264 C C . HIS C 1 49 ? -25.044 -26.408 -27.408 1.00 18.28 ? 50 HIS C C 1 ATOM 2265 O O . HIS C 1 49 ? -25.268 -25.222 -27.591 1.00 19.12 ? 50 HIS C O 1 ATOM 2266 C CB . HIS C 1 49 ? -25.395 -27.533 -29.553 1.00 21.18 ? 50 HIS C CB 1 ATOM 2267 C CG . HIS C 1 49 ? -26.241 -28.388 -30.430 1.00 24.77 ? 50 HIS C CG 1 ATOM 2268 N ND1 . HIS C 1 49 ? -27.257 -27.840 -31.182 1.00 27.22 ? 50 HIS C ND1 1 ATOM 2269 C CD2 . HIS C 1 49 ? -26.251 -29.734 -30.690 1.00 26.44 ? 50 HIS C CD2 1 ATOM 2270 C CE1 . HIS C 1 49 ? -27.897 -28.812 -31.837 1.00 26.55 ? 50 HIS C CE1 1 ATOM 2271 N NE2 . HIS C 1 49 ? -27.304 -29.965 -31.567 1.00 27.46 ? 50 HIS C NE2 1 ATOM 2272 N N . GLY C 1 50 ? -24.026 -26.872 -26.643 1.00 17.42 ? 51 GLY C N 1 ATOM 2273 C CA . GLY C 1 50 ? -23.190 -25.874 -25.984 1.00 15.99 ? 51 GLY C CA 1 ATOM 2274 C C . GLY C 1 50 ? -21.933 -26.529 -25.424 1.00 18.27 ? 51 GLY C C 1 ATOM 2275 O O . GLY C 1 50 ? -21.575 -27.662 -25.861 1.00 17.64 ? 51 GLY C O 1 ATOM 2276 N N . THR C 1 51 ? -21.267 -25.778 -24.544 1.00 17.21 ? 52 THR C N 1 ATOM 2277 C CA . THR C 1 51 ? -19.968 -26.313 -24.005 1.00 16.95 ? 52 THR C CA 1 ATOM 2278 C C . THR C 1 51 ? -19.883 -25.810 -22.571 1.00 18.29 ? 52 THR C C 1 ATOM 2279 O O . THR C 1 51 ? -20.487 -24.761 -22.200 1.00 15.40 ? 52 THR C O 1 ATOM 2280 C CB . THR C 1 51 ? -18.684 -25.770 -24.740 1.00 19.34 ? 52 THR C CB 1 ATOM 2281 O OG1 . THR C 1 51 ? -18.778 -24.346 -24.874 1.00 19.21 ? 52 THR C OG1 1 ATOM 2282 C CG2 . THR C 1 51 ? -18.549 -26.353 -26.124 1.00 22.92 ? 52 THR C CG2 1 ATOM 2283 N N . GLN C 1 52 ? -19.214 -26.589 -21.756 1.00 18.08 ? 53 GLN C N 1 ATOM 2284 C CA . GLN C 1 52 ? -18.821 -26.241 -20.396 1.00 16.93 ? 53 GLN C CA 1 ATOM 2285 C C . GLN C 1 52 ? -17.384 -25.832 -20.463 1.00 18.40 ? 53 GLN C C 1 ATOM 2286 O O . GLN C 1 52 ? -16.633 -26.485 -21.201 1.00 19.11 ? 53 GLN C O 1 ATOM 2287 C CB . GLN C 1 52 ? -18.934 -27.593 -19.624 1.00 20.47 ? 53 GLN C CB 1 ATOM 2288 C CG . GLN C 1 52 ? -18.542 -27.503 -18.185 1.00 24.62 ? 53 GLN C CG 1 ATOM 2289 C CD . GLN C 1 52 ? -18.487 -28.878 -17.571 1.00 30.45 ? 53 GLN C CD 1 ATOM 2290 O OE1 . GLN C 1 52 ? -19.386 -29.654 -17.736 1.00 33.91 ? 53 GLN C OE1 1 ATOM 2291 N NE2 . GLN C 1 52 ? -17.376 -29.180 -16.933 1.00 36.37 ? 53 GLN C NE2 1 ATOM 2292 N N . ASN C 1 53 ? -16.957 -24.825 -19.679 1.00 15.31 ? 54 ASN C N 1 ATOM 2293 C CA . ASN C 1 53 ? -15.573 -24.403 -19.688 1.00 18.15 ? 54 ASN C CA 1 ATOM 2294 C C . ASN C 1 53 ? -14.844 -25.375 -18.754 1.00 22.28 ? 54 ASN C C 1 ATOM 2295 O O . ASN C 1 53 ? -15.350 -25.618 -17.662 1.00 21.39 ? 54 ASN C O 1 ATOM 2296 C CB . ASN C 1 53 ? -15.520 -23.022 -19.107 1.00 17.85 ? 54 ASN C CB 1 ATOM 2297 C CG . ASN C 1 53 ? -14.098 -22.466 -19.097 1.00 21.95 ? 54 ASN C CG 1 ATOM 2298 O OD1 . ASN C 1 53 ? -13.691 -21.501 -19.811 1.00 23.89 ? 54 ASN C OD1 1 ATOM 2299 N ND2 . ASN C 1 53 ? -13.305 -23.116 -18.246 1.00 17.92 ? 54 ASN C ND2 1 ATOM 2300 N N . THR C 1 54 ? -13.704 -25.944 -19.200 1.00 22.33 ? 55 THR C N 1 ATOM 2301 C CA . THR C 1 54 ? -13.029 -26.927 -18.325 1.00 28.22 ? 55 THR C CA 1 ATOM 2302 C C . THR C 1 54 ? -11.624 -26.421 -17.928 1.00 29.17 ? 55 THR C C 1 ATOM 2303 O O . THR C 1 54 ? -10.778 -27.237 -17.492 1.00 30.93 ? 55 THR C O 1 ATOM 2304 C CB . THR C 1 54 ? -12.820 -28.268 -19.022 1.00 27.86 ? 55 THR C CB 1 ATOM 2305 O OG1 . THR C 1 54 ? -12.246 -27.995 -20.320 1.00 32.60 ? 55 THR C OG1 1 ATOM 2306 C CG2 . THR C 1 54 ? -14.170 -28.993 -19.289 1.00 30.27 ? 55 THR C CG2 1 ATOM 2307 N N . ILE C 1 55 ? -11.362 -25.136 -18.042 1.00 26.92 ? 56 ILE C N 1 ATOM 2308 C CA . ILE C 1 55 ? -10.095 -24.525 -17.607 1.00 28.32 ? 56 ILE C CA 1 ATOM 2309 C C . ILE C 1 55 ? -9.995 -24.625 -16.095 1.00 28.71 ? 56 ILE C C 1 ATOM 2310 O O . ILE C 1 55 ? -10.890 -24.227 -15.376 1.00 28.46 ? 56 ILE C O 1 ATOM 2311 C CB . ILE C 1 55 ? -9.954 -23.069 -18.129 1.00 27.63 ? 56 ILE C CB 1 ATOM 2312 C CG1 . ILE C 1 55 ? -9.943 -23.064 -19.664 1.00 26.72 ? 56 ILE C CG1 1 ATOM 2313 C CG2 . ILE C 1 55 ? -8.727 -22.271 -17.510 1.00 29.08 ? 56 ILE C CG2 1 ATOM 2314 C CD1 . ILE C 1 55 ? -9.056 -24.111 -20.370 1.00 31.92 ? 56 ILE C CD1 1 ATOM 2315 N N . ASN C 1 56 ? -8.869 -25.202 -15.622 1.00 28.87 ? 57 ASN C N 1 ATOM 2316 C CA . ASN C 1 56 ? -8.630 -25.434 -14.196 1.00 32.86 ? 57 ASN C CA 1 ATOM 2317 C C . ASN C 1 56 ? -9.594 -26.420 -13.604 1.00 32.97 ? 57 ASN C C 1 ATOM 2318 O O . ASN C 1 56 ? -9.714 -26.518 -12.353 1.00 33.52 ? 57 ASN C O 1 ATOM 2319 C CB . ASN C 1 56 ? -8.567 -24.135 -13.384 1.00 32.27 ? 57 ASN C CB 1 ATOM 2320 C CG . ASN C 1 56 ? -7.520 -23.186 -13.936 1.00 36.33 ? 57 ASN C CG 1 ATOM 2321 O OD1 . ASN C 1 56 ? -6.466 -23.638 -14.419 1.00 39.60 ? 57 ASN C OD1 1 ATOM 2322 N ND2 . ASN C 1 56 ? -7.782 -21.897 -13.899 1.00 36.42 ? 57 ASN C ND2 1 ATOM 2323 N N . LYS C 1 57 ? -10.239 -27.183 -14.491 1.00 34.24 ? 58 LYS C N 1 ATOM 2324 C CA . LYS C 1 57 ? -11.322 -28.121 -14.129 1.00 35.44 ? 58 LYS C CA 1 ATOM 2325 C C . LYS C 1 57 ? -12.106 -27.735 -12.876 1.00 35.55 ? 58 LYS C C 1 ATOM 2326 O O . LYS C 1 57 ? -12.134 -28.522 -11.911 1.00 34.10 ? 58 LYS C O 1 ATOM 2327 C CB . LYS C 1 57 ? -10.788 -29.572 -13.939 1.00 37.94 ? 58 LYS C CB 1 ATOM 2328 C CG . LYS C 1 57 ? -9.634 -29.851 -14.899 1.00 41.51 ? 58 LYS C CG 1 ATOM 2329 C CD . LYS C 1 57 ? -9.263 -31.353 -14.844 1.00 50.30 ? 58 LYS C CD 1 ATOM 2330 C CE . LYS C 1 57 ? -7.854 -31.570 -15.406 1.00 54.50 ? 58 LYS C CE 1 ATOM 2331 N NZ . LYS C 1 57 ? -7.398 -33.000 -15.175 1.00 62.33 ? 58 LYS C NZ 1 ATOM 2332 N N . ARG C 1 58 ? -12.776 -26.552 -12.887 1.00 32.84 ? 59 ARG C N 1 ATOM 2333 C CA . ARG C 1 58 ? -13.482 -26.082 -11.719 1.00 30.59 ? 59 ARG C CA 1 ATOM 2334 C C . ARG C 1 58 ? -14.653 -26.974 -11.401 1.00 30.70 ? 59 ARG C C 1 ATOM 2335 O O . ARG C 1 58 ? -15.295 -27.500 -12.327 1.00 31.66 ? 59 ARG C O 1 ATOM 2336 C CB . ARG C 1 58 ? -14.032 -24.640 -11.955 1.00 30.36 ? 59 ARG C CB 1 ATOM 2337 C CG . ARG C 1 58 ? -12.954 -23.555 -12.204 1.00 32.91 ? 59 ARG C CG 1 ATOM 2338 C CD . ARG C 1 58 ? -11.833 -23.636 -11.105 1.00 41.46 ? 59 ARG C CD 1 ATOM 2339 N NE . ARG C 1 58 ? -12.270 -23.392 -9.703 1.00 45.64 ? 59 ARG C NE 1 ATOM 2340 C CZ . ARG C 1 58 ? -12.493 -22.178 -9.155 1.00 52.70 ? 59 ARG C CZ 1 ATOM 2341 N NH1 . ARG C 1 58 ? -12.853 -22.053 -7.874 1.00 49.99 ? 59 ARG C NH1 1 ATOM 2342 N NH2 . ARG C 1 58 ? -12.404 -21.065 -9.878 1.00 50.96 ? 59 ARG C NH2 1 ATOM 2343 N N . THR C 1 59 ? -14.997 -27.076 -10.122 1.00 29.42 ? 60 THR C N 1 ATOM 2344 C CA . THR C 1 59 ? -16.138 -27.927 -9.690 1.00 28.83 ? 60 THR C CA 1 ATOM 2345 C C . THR C 1 59 ? -17.453 -27.220 -9.939 1.00 27.48 ? 60 THR C C 1 ATOM 2346 O O . THR C 1 59 ? -18.535 -27.848 -9.948 1.00 24.70 ? 60 THR C O 1 ATOM 2347 C CB . THR C 1 59 ? -16.080 -28.308 -8.157 1.00 30.47 ? 60 THR C CB 1 ATOM 2348 O OG1 . THR C 1 59 ? -16.217 -27.131 -7.301 1.00 35.29 ? 60 THR C OG1 1 ATOM 2349 C CG2 . THR C 1 59 ? -14.878 -29.050 -7.869 1.00 34.76 ? 60 THR C CG2 1 ATOM 2350 N N . GLN C 1 60 ? -17.376 -25.903 -10.124 1.00 21.97 ? 61 GLN C N 1 ATOM 2351 C CA . GLN C 1 60 ? -18.559 -25.160 -10.453 1.00 20.40 ? 61 GLN C CA 1 ATOM 2352 C C . GLN C 1 60 ? -18.380 -24.426 -11.813 1.00 17.98 ? 61 GLN C C 1 ATOM 2353 O O . GLN C 1 60 ? -18.094 -23.244 -11.783 1.00 18.29 ? 61 GLN C O 1 ATOM 2354 C CB . GLN C 1 60 ? -18.766 -24.096 -9.343 1.00 20.35 ? 61 GLN C CB 1 ATOM 2355 C CG . GLN C 1 60 ? -19.175 -24.817 -7.997 1.00 23.17 ? 61 GLN C CG 1 ATOM 2356 C CD . GLN C 1 60 ? -19.524 -23.829 -6.963 1.00 23.70 ? 61 GLN C CD 1 ATOM 2357 O OE1 . GLN C 1 60 ? -20.634 -23.837 -6.444 1.00 23.86 ? 61 GLN C OE1 1 ATOM 2358 N NE2 . GLN C 1 60 ? -18.597 -22.856 -6.690 1.00 23.28 ? 61 GLN C NE2 1 ATOM 2359 N N . PRO C 1 61 ? -18.435 -25.152 -12.960 1.00 17.57 ? 62 PRO C N 1 ATOM 2360 C CA . PRO C 1 61 ? -17.982 -24.546 -14.271 1.00 16.06 ? 62 PRO C CA 1 ATOM 2361 C C . PRO C 1 61 ? -18.988 -23.583 -14.816 1.00 16.90 ? 62 PRO C C 1 ATOM 2362 O O . PRO C 1 61 ? -20.191 -23.708 -14.587 1.00 14.15 ? 62 PRO C O 1 ATOM 2363 C CB . PRO C 1 61 ? -17.817 -25.744 -15.184 1.00 18.52 ? 62 PRO C CB 1 ATOM 2364 C CG . PRO C 1 61 ? -18.826 -26.822 -14.569 1.00 20.34 ? 62 PRO C CG 1 ATOM 2365 C CD . PRO C 1 61 ? -18.686 -26.594 -13.085 1.00 19.90 ? 62 PRO C CD 1 ATOM 2366 N N . THR C 1 62 ? -18.431 -22.579 -15.501 1.00 14.43 ? 63 THR C N 1 ATOM 2367 C CA . THR C 1 62 ? -19.312 -21.803 -16.449 1.00 15.03 ? 63 THR C CA 1 ATOM 2368 C C . THR C 1 62 ? -19.644 -22.601 -17.638 1.00 17.63 ? 63 THR C C 1 ATOM 2369 O O . THR C 1 62 ? -18.998 -23.591 -18.041 1.00 16.49 ? 63 THR C O 1 ATOM 2370 C CB . THR C 1 62 ? -18.632 -20.460 -16.861 1.00 13.14 ? 63 THR C CB 1 ATOM 2371 O OG1 . THR C 1 62 ? -17.520 -20.642 -17.757 1.00 14.66 ? 63 THR C OG1 1 ATOM 2372 C CG2 . THR C 1 62 ? -18.242 -19.621 -15.593 1.00 15.10 ? 63 THR C CG2 1 ATOM 2373 N N . PHE C 1 63 ? -20.706 -22.217 -18.323 1.00 15.02 ? 64 PHE C N 1 ATOM 2374 C CA . PHE C 1 63 ? -21.080 -22.879 -19.555 1.00 14.59 ? 64 PHE C CA 1 ATOM 2375 C C . PHE C 1 63 ? -21.936 -21.976 -20.440 1.00 14.18 ? 64 PHE C C 1 ATOM 2376 O O . PHE C 1 63 ? -22.360 -20.959 -19.999 1.00 15.40 ? 64 PHE C O 1 ATOM 2377 C CB . PHE C 1 63 ? -21.885 -24.119 -19.258 1.00 14.42 ? 64 PHE C CB 1 ATOM 2378 C CG . PHE C 1 63 ? -23.134 -23.841 -18.511 1.00 17.87 ? 64 PHE C CG 1 ATOM 2379 C CD1 . PHE C 1 63 ? -24.299 -23.618 -19.139 1.00 19.59 ? 64 PHE C CD1 1 ATOM 2380 C CD2 . PHE C 1 63 ? -23.126 -23.759 -17.165 1.00 17.84 ? 64 PHE C CD2 1 ATOM 2381 C CE1 . PHE C 1 63 ? -25.428 -23.355 -18.418 1.00 20.79 ? 64 PHE C CE1 1 ATOM 2382 C CE2 . PHE C 1 63 ? -24.217 -23.495 -16.495 1.00 16.87 ? 64 PHE C CE2 1 ATOM 2383 C CZ . PHE C 1 63 ? -25.362 -23.276 -17.108 1.00 17.34 ? 64 PHE C CZ 1 ATOM 2384 N N . GLY C 1 64 ? -22.159 -22.397 -21.673 1.00 15.27 ? 65 GLY C N 1 ATOM 2385 C CA . GLY C 1 64 ? -23.154 -21.644 -22.517 1.00 15.33 ? 65 GLY C CA 1 ATOM 2386 C C . GLY C 1 64 ? -23.771 -22.655 -23.415 1.00 15.41 ? 65 GLY C C 1 ATOM 2387 O O . GLY C 1 64 ? -23.169 -23.679 -23.779 1.00 14.34 ? 65 GLY C O 1 ATOM 2388 N N . PHE C 1 65 ? -24.981 -22.304 -23.904 1.00 15.71 ? 66 PHE C N 1 ATOM 2389 C CA . PHE C 1 65 ? -25.569 -23.163 -24.943 1.00 15.01 ? 66 PHE C CA 1 ATOM 2390 C C . PHE C 1 65 ? -26.511 -22.328 -25.841 1.00 16.51 ? 66 PHE C C 1 ATOM 2391 O O . PHE C 1 65 ? -27.001 -21.287 -25.390 1.00 17.10 ? 66 PHE C O 1 ATOM 2392 C CB . PHE C 1 65 ? -26.317 -24.459 -24.426 1.00 15.62 ? 66 PHE C CB 1 ATOM 2393 C CG . PHE C 1 65 ? -27.426 -24.233 -23.428 1.00 14.50 ? 66 PHE C CG 1 ATOM 2394 C CD1 . PHE C 1 65 ? -28.760 -23.972 -23.831 1.00 17.31 ? 66 PHE C CD1 1 ATOM 2395 C CD2 . PHE C 1 65 ? -27.135 -24.235 -22.043 1.00 17.14 ? 66 PHE C CD2 1 ATOM 2396 C CE1 . PHE C 1 65 ? -29.806 -23.809 -22.855 1.00 16.81 ? 66 PHE C CE1 1 ATOM 2397 C CE2 . PHE C 1 65 ? -28.146 -24.048 -21.109 1.00 20.06 ? 66 PHE C CE2 1 ATOM 2398 C CZ . PHE C 1 65 ? -29.492 -23.827 -21.501 1.00 17.79 ? 66 PHE C CZ 1 ATOM 2399 N N . THR C 1 66 ? -26.850 -22.901 -27.000 1.00 16.69 ? 67 THR C N 1 ATOM 2400 C CA . THR C 1 66 ? -27.739 -22.223 -27.928 1.00 15.94 ? 67 THR C CA 1 ATOM 2401 C C . THR C 1 66 ? -28.916 -23.170 -28.122 1.00 17.75 ? 67 THR C C 1 ATOM 2402 O O . THR C 1 66 ? -28.717 -24.413 -28.382 1.00 16.93 ? 67 THR C O 1 ATOM 2403 C CB . THR C 1 66 ? -27.006 -22.065 -29.278 1.00 16.88 ? 67 THR C CB 1 ATOM 2404 O OG1 . THR C 1 66 ? -25.925 -21.175 -29.152 1.00 16.35 ? 67 THR C OG1 1 ATOM 2405 C CG2 . THR C 1 66 ? -27.904 -21.277 -30.340 1.00 16.70 ? 67 THR C CG2 1 ATOM 2406 N N . VAL C 1 67 ? -30.125 -22.596 -28.049 1.00 15.57 ? 68 VAL C N 1 ATOM 2407 C CA . VAL C 1 67 ? -31.379 -23.397 -28.341 1.00 17.82 ? 68 VAL C CA 1 ATOM 2408 C C . VAL C 1 67 ? -31.828 -23.034 -29.751 1.00 17.13 ? 68 VAL C C 1 ATOM 2409 O O . VAL C 1 67 ? -32.021 -21.853 -30.080 1.00 18.42 ? 68 VAL C O 1 ATOM 2410 C CB . VAL C 1 67 ? -32.439 -23.045 -27.377 1.00 20.19 ? 68 VAL C CB 1 ATOM 2411 C CG1 . VAL C 1 67 ? -33.732 -23.988 -27.674 1.00 19.56 ? 68 VAL C CG1 1 ATOM 2412 C CG2 . VAL C 1 67 ? -32.054 -23.473 -25.955 1.00 17.06 ? 68 VAL C CG2 1 ATOM 2413 N N . ASN C 1 68 ? -31.946 -24.065 -30.634 1.00 17.41 ? 69 ASN C N 1 ATOM 2414 C CA . ASN C 1 68 ? -32.212 -23.696 -31.986 1.00 20.34 ? 69 ASN C CA 1 ATOM 2415 C C . ASN C 1 68 ? -33.703 -24.005 -32.156 1.00 22.41 ? 69 ASN C C 1 ATOM 2416 O O . ASN C 1 68 ? -34.087 -25.191 -32.347 1.00 22.72 ? 69 ASN C O 1 ATOM 2417 C CB . ASN C 1 68 ? -31.398 -24.696 -32.823 1.00 17.98 ? 69 ASN C CB 1 ATOM 2418 C CG . ASN C 1 68 ? -31.590 -24.529 -34.309 1.00 26.74 ? 69 ASN C CG 1 ATOM 2419 O OD1 . ASN C 1 68 ? -31.296 -25.500 -35.062 1.00 35.81 ? 69 ASN C OD1 1 ATOM 2420 N ND2 . ASN C 1 68 ? -32.087 -23.403 -34.768 1.00 20.52 ? 69 ASN C ND2 1 ATOM 2421 N N . TRP C 1 69 ? -34.531 -22.991 -31.890 1.00 21.56 ? 70 TRP C N 1 ATOM 2422 C CA . TRP C 1 69 ? -36.017 -23.328 -31.779 1.00 19.76 ? 70 TRP C CA 1 ATOM 2423 C C . TRP C 1 69 ? -36.574 -23.924 -33.147 1.00 20.50 ? 70 TRP C C 1 ATOM 2424 O O . TRP C 1 69 ? -36.182 -23.473 -34.231 1.00 22.39 ? 70 TRP C O 1 ATOM 2425 C CB . TRP C 1 69 ? -36.776 -22.030 -31.499 1.00 18.67 ? 70 TRP C CB 1 ATOM 2426 C CG . TRP C 1 69 ? -36.265 -21.401 -30.173 1.00 18.33 ? 70 TRP C CG 1 ATOM 2427 C CD1 . TRP C 1 69 ? -35.621 -20.248 -30.061 1.00 18.33 ? 70 TRP C CD1 1 ATOM 2428 C CD2 . TRP C 1 69 ? -36.507 -21.901 -28.880 1.00 19.92 ? 70 TRP C CD2 1 ATOM 2429 N NE1 . TRP C 1 69 ? -35.304 -19.996 -28.670 1.00 19.56 ? 70 TRP C NE1 1 ATOM 2430 C CE2 . TRP C 1 69 ? -35.874 -20.984 -27.945 1.00 17.80 ? 70 TRP C CE2 1 ATOM 2431 C CE3 . TRP C 1 69 ? -37.153 -23.020 -28.382 1.00 21.19 ? 70 TRP C CE3 1 ATOM 2432 C CZ2 . TRP C 1 69 ? -35.886 -21.219 -26.577 1.00 14.53 ? 70 TRP C CZ2 1 ATOM 2433 C CZ3 . TRP C 1 69 ? -37.154 -23.258 -26.952 1.00 21.41 ? 70 TRP C CZ3 1 ATOM 2434 C CH2 . TRP C 1 69 ? -36.570 -22.293 -26.086 1.00 20.10 ? 70 TRP C CH2 1 ATOM 2435 N N . LYS C 1 70 ? -37.423 -24.902 -33.004 1.00 22.16 ? 71 LYS C N 1 ATOM 2436 C CA . LYS C 1 70 ? -37.824 -25.672 -34.267 1.00 24.28 ? 71 LYS C CA 1 ATOM 2437 C C . LYS C 1 70 ? -39.170 -25.185 -34.695 1.00 26.35 ? 71 LYS C C 1 ATOM 2438 O O . LYS C 1 70 ? -39.704 -25.612 -35.763 1.00 28.72 ? 71 LYS C O 1 ATOM 2439 C CB . LYS C 1 70 ? -37.882 -27.147 -33.999 1.00 24.12 ? 71 LYS C CB 1 ATOM 2440 C CG . LYS C 1 70 ? -36.394 -27.730 -33.862 1.00 28.75 ? 71 LYS C CG 1 ATOM 2441 C CD . LYS C 1 70 ? -35.257 -27.067 -34.758 1.00 31.40 ? 71 LYS C CD 1 ATOM 2442 C CE . LYS C 1 70 ? -35.226 -27.574 -36.291 1.00 34.70 ? 71 LYS C CE 1 ATOM 2443 N NZ . LYS C 1 70 ? -34.204 -26.770 -37.175 1.00 30.98 ? 71 LYS C NZ 1 ATOM 2444 N N . PHE C 1 71 ? -39.724 -24.280 -33.922 1.00 29.05 ? 72 PHE C N 1 ATOM 2445 C CA . PHE C 1 71 ? -41.082 -23.738 -34.207 1.00 28.89 ? 72 PHE C CA 1 ATOM 2446 C C . PHE C 1 71 ? -41.108 -22.296 -34.405 1.00 29.40 ? 72 PHE C C 1 ATOM 2447 O O . PHE C 1 71 ? -42.246 -21.798 -34.501 1.00 29.89 ? 72 PHE C O 1 ATOM 2448 C CB . PHE C 1 71 ? -42.078 -24.074 -33.090 1.00 26.36 ? 72 PHE C CB 1 ATOM 2449 C CG . PHE C 1 71 ? -41.698 -23.458 -31.727 1.00 28.33 ? 72 PHE C CG 1 ATOM 2450 C CD1 . PHE C 1 71 ? -40.807 -24.169 -30.911 1.00 29.51 ? 72 PHE C CD1 1 ATOM 2451 C CD2 . PHE C 1 71 ? -42.167 -22.148 -31.341 1.00 25.05 ? 72 PHE C CD2 1 ATOM 2452 C CE1 . PHE C 1 71 ? -40.377 -23.590 -29.654 1.00 29.15 ? 72 PHE C CE1 1 ATOM 2453 C CE2 . PHE C 1 71 ? -41.818 -21.573 -30.068 1.00 28.86 ? 72 PHE C CE2 1 ATOM 2454 C CZ . PHE C 1 71 ? -40.908 -22.300 -29.283 1.00 23.57 ? 72 PHE C CZ 1 ATOM 2455 N N . SER C 1 72 ? -39.982 -21.559 -34.543 1.00 25.76 ? 73 SER C N 1 ATOM 2456 C CA . SER C 1 72 ? -39.959 -20.170 -34.773 1.00 26.27 ? 73 SER C CA 1 ATOM 2457 C C . SER C 1 72 ? -38.661 -19.869 -35.504 1.00 24.85 ? 73 SER C C 1 ATOM 2458 O O . SER C 1 72 ? -37.757 -20.761 -35.511 1.00 29.73 ? 73 SER C O 1 ATOM 2459 C CB . SER C 1 72 ? -40.045 -19.402 -33.409 1.00 28.70 ? 73 SER C CB 1 ATOM 2460 O OG . SER C 1 72 ? -38.734 -19.213 -32.997 1.00 32.08 ? 73 SER C OG 1 ATOM 2461 N N . GLU C 1 73 ? -38.443 -18.680 -35.954 1.00 23.39 ? 74 GLU C N 1 ATOM 2462 C CA . GLU C 1 73 ? -37.164 -18.294 -36.606 1.00 22.02 ? 74 GLU C CA 1 ATOM 2463 C C . GLU C 1 73 ? -36.089 -17.669 -35.623 1.00 22.03 ? 74 GLU C C 1 ATOM 2464 O O . GLU C 1 73 ? -35.128 -17.052 -36.115 1.00 25.70 ? 74 GLU C O 1 ATOM 2465 C CB . GLU C 1 73 ? -37.447 -17.275 -37.622 1.00 23.93 ? 74 GLU C CB 1 ATOM 2466 C CG . GLU C 1 73 ? -38.273 -18.022 -38.768 1.00 25.32 ? 74 GLU C CG 1 ATOM 2467 C CD . GLU C 1 73 ? -38.934 -16.997 -39.723 1.00 32.44 ? 74 GLU C CD 1 ATOM 2468 O OE1 . GLU C 1 73 ? -38.596 -15.831 -39.658 1.00 31.73 ? 74 GLU C OE1 1 ATOM 2469 O OE2 . GLU C 1 73 ? -39.772 -17.404 -40.589 1.00 31.64 ? 74 GLU C OE2 1 ATOM 2470 N N . SER C 1 74 ? -36.492 -17.673 -34.334 1.00 22.09 ? 75 SER C N 1 ATOM 2471 C CA . SER C 1 74 ? -35.728 -17.078 -33.167 1.00 22.52 ? 75 SER C CA 1 ATOM 2472 C C . SER C 1 74 ? -34.598 -18.030 -32.795 1.00 18.21 ? 75 SER C C 1 ATOM 2473 O O . SER C 1 74 ? -34.678 -19.223 -33.082 1.00 19.32 ? 75 SER C O 1 ATOM 2474 C CB . SER C 1 74 ? -36.714 -17.002 -31.911 1.00 19.28 ? 75 SER C CB 1 ATOM 2475 O OG . SER C 1 74 ? -37.670 -16.032 -32.343 1.00 32.23 ? 75 SER C OG 1 ATOM 2476 N N . THR C 1 75 ? -33.626 -17.461 -32.034 1.00 18.96 ? 76 THR C N 1 ATOM 2477 C CA . THR C 1 75 ? -32.548 -18.276 -31.360 1.00 17.23 ? 76 THR C CA 1 ATOM 2478 C C . THR C 1 75 ? -32.445 -17.722 -29.901 1.00 17.20 ? 76 THR C C 1 ATOM 2479 O O . THR C 1 75 ? -32.521 -16.522 -29.751 1.00 19.26 ? 76 THR C O 1 ATOM 2480 C CB . THR C 1 75 ? -31.241 -18.086 -32.119 1.00 20.00 ? 76 THR C CB 1 ATOM 2481 O OG1 . THR C 1 75 ? -31.399 -18.634 -33.491 1.00 19.44 ? 76 THR C OG1 1 ATOM 2482 C CG2 . THR C 1 75 ? -30.074 -18.862 -31.381 1.00 16.78 ? 76 THR C CG2 1 ATOM 2483 N N . THR C 1 76 ? -32.243 -18.618 -28.929 1.00 18.36 ? 77 THR C N 1 ATOM 2484 C CA . THR C 1 76 ? -31.891 -18.064 -27.560 1.00 17.12 ? 77 THR C CA 1 ATOM 2485 C C . THR C 1 76 ? -30.520 -18.656 -27.256 1.00 16.30 ? 77 THR C C 1 ATOM 2486 O O . THR C 1 76 ? -30.259 -19.810 -27.601 1.00 17.14 ? 77 THR C O 1 ATOM 2487 C CB . THR C 1 76 ? -32.903 -18.528 -26.582 1.00 19.98 ? 77 THR C CB 1 ATOM 2488 O OG1 . THR C 1 76 ? -34.201 -18.030 -26.940 1.00 17.89 ? 77 THR C OG1 1 ATOM 2489 C CG2 . THR C 1 76 ? -32.598 -17.947 -25.151 1.00 16.28 ? 77 THR C CG2 1 ATOM 2490 N N . VAL C 1 77 ? -29.692 -17.846 -26.573 1.00 15.41 ? 78 VAL C N 1 ATOM 2491 C CA . VAL C 1 77 ? -28.450 -18.379 -25.980 1.00 14.52 ? 78 VAL C CA 1 ATOM 2492 C C . VAL C 1 77 ? -28.558 -18.190 -24.473 1.00 17.34 ? 78 VAL C C 1 ATOM 2493 O O . VAL C 1 77 ? -29.134 -17.164 -24.007 1.00 16.38 ? 78 VAL C O 1 ATOM 2494 C CB . VAL C 1 77 ? -27.200 -17.660 -26.475 1.00 14.66 ? 78 VAL C CB 1 ATOM 2495 C CG1 . VAL C 1 77 ? -27.013 -18.129 -28.012 1.00 14.31 ? 78 VAL C CG1 1 ATOM 2496 C CG2 . VAL C 1 77 ? -27.280 -16.063 -26.443 1.00 15.54 ? 78 VAL C CG2 1 ATOM 2497 N N . PHE C 1 78 ? -27.979 -19.167 -23.753 1.00 15.85 ? 79 PHE C N 1 ATOM 2498 C CA . PHE C 1 78 ? -28.034 -19.058 -22.250 1.00 11.71 ? 79 PHE C CA 1 ATOM 2499 C C . PHE C 1 78 ? -26.550 -19.171 -21.847 1.00 14.68 ? 79 PHE C C 1 ATOM 2500 O O . PHE C 1 78 ? -25.766 -19.994 -22.456 1.00 13.23 ? 79 PHE C O 1 ATOM 2501 C CB . PHE C 1 78 ? -28.700 -20.271 -21.630 1.00 12.65 ? 79 PHE C CB 1 ATOM 2502 C CG . PHE C 1 78 ? -30.222 -20.276 -21.806 1.00 15.22 ? 79 PHE C CG 1 ATOM 2503 C CD1 . PHE C 1 78 ? -30.783 -20.710 -23.031 1.00 21.10 ? 79 PHE C CD1 1 ATOM 2504 C CD2 . PHE C 1 78 ? -31.062 -19.870 -20.722 1.00 19.79 ? 79 PHE C CD2 1 ATOM 2505 C CE1 . PHE C 1 78 ? -32.183 -20.804 -23.188 1.00 18.29 ? 79 PHE C CE1 1 ATOM 2506 C CE2 . PHE C 1 78 ? -32.492 -19.929 -20.893 1.00 22.16 ? 79 PHE C CE2 1 ATOM 2507 C CZ . PHE C 1 78 ? -33.007 -20.378 -22.171 1.00 20.62 ? 79 PHE C CZ 1 ATOM 2508 N N . THR C 1 79 ? -26.218 -18.465 -20.765 1.00 15.10 ? 80 THR C N 1 ATOM 2509 C CA . THR C 1 79 ? -24.828 -18.706 -20.247 1.00 13.09 ? 80 THR C CA 1 ATOM 2510 C C . THR C 1 79 ? -24.965 -18.582 -18.741 1.00 14.08 ? 80 THR C C 1 ATOM 2511 O O . THR C 1 79 ? -25.730 -17.746 -18.228 1.00 15.27 ? 80 THR C O 1 ATOM 2512 C CB . THR C 1 79 ? -23.760 -17.783 -20.871 1.00 15.99 ? 80 THR C CB 1 ATOM 2513 O OG1 . THR C 1 79 ? -22.437 -18.185 -20.407 1.00 17.15 ? 80 THR C OG1 1 ATOM 2514 C CG2 . THR C 1 79 ? -23.933 -16.286 -20.504 1.00 12.10 ? 80 THR C CG2 1 ATOM 2515 N N . GLY C 1 80 ? -24.140 -19.312 -17.997 1.00 15.69 ? 81 GLY C N 1 ATOM 2516 C CA . GLY C 1 80 ? -24.273 -19.102 -16.535 1.00 13.01 ? 81 GLY C CA 1 ATOM 2517 C C . GLY C 1 80 ? -23.227 -20.132 -15.902 1.00 14.89 ? 81 GLY C C 1 ATOM 2518 O O . GLY C 1 80 ? -22.221 -20.495 -16.521 1.00 15.23 ? 81 GLY C O 1 ATOM 2519 N N . GLN C 1 81 ? -23.517 -20.523 -14.677 1.00 15.10 ? 82 GLN C N 1 ATOM 2520 C CA . GLN C 1 81 ? -22.595 -21.345 -13.901 1.00 14.82 ? 82 GLN C CA 1 ATOM 2521 C C . GLN C 1 81 ? -23.383 -22.400 -13.144 1.00 14.28 ? 82 GLN C C 1 ATOM 2522 O O . GLN C 1 81 ? -24.480 -22.195 -12.696 1.00 15.44 ? 82 GLN C O 1 ATOM 2523 C CB . GLN C 1 81 ? -21.803 -20.335 -13.005 1.00 16.88 ? 82 GLN C CB 1 ATOM 2524 C CG . GLN C 1 81 ? -20.679 -20.993 -12.198 1.00 20.13 ? 82 GLN C CG 1 ATOM 2525 C CD . GLN C 1 81 ? -19.759 -19.978 -11.520 1.00 17.22 ? 82 GLN C CD 1 ATOM 2526 O OE1 . GLN C 1 81 ? -19.868 -18.750 -11.693 1.00 15.52 ? 82 GLN C OE1 1 ATOM 2527 N NE2 . GLN C 1 81 ? -18.768 -20.536 -10.810 1.00 17.62 ? 82 GLN C NE2 1 ATOM 2528 N N . CYS C 1 82 ? -22.822 -23.607 -13.052 1.00 15.45 ? 83 CYS C N 1 ATOM 2529 C CA . CYS C 1 82 ? -23.454 -24.677 -12.323 1.00 17.36 ? 83 CYS C CA 1 ATOM 2530 C C . CYS C 1 82 ? -22.875 -24.600 -10.868 1.00 17.85 ? 83 CYS C C 1 ATOM 2531 O O . CYS C 1 82 ? -21.665 -24.858 -10.691 1.00 20.89 ? 83 CYS C O 1 ATOM 2532 C CB . CYS C 1 82 ? -22.857 -25.882 -13.006 1.00 19.08 ? 83 CYS C CB 1 ATOM 2533 S SG . CYS C 1 82 ? -23.672 -27.550 -12.621 1.00 26.71 ? 83 CYS C SG 1 ATOM 2534 N N . PHE C 1 83 ? -23.704 -24.233 -9.879 1.00 16.29 ? 84 PHE C N 1 ATOM 2535 C CA . PHE C 1 83 ? -23.174 -24.068 -8.544 1.00 18.58 ? 84 PHE C CA 1 ATOM 2536 C C . PHE C 1 83 ? -23.681 -25.277 -7.709 1.00 19.03 ? 84 PHE C C 1 ATOM 2537 O O . PHE C 1 83 ? -24.747 -25.806 -8.009 1.00 18.44 ? 84 PHE C O 1 ATOM 2538 C CB . PHE C 1 83 ? -23.841 -22.874 -7.895 1.00 18.18 ? 84 PHE C CB 1 ATOM 2539 C CG . PHE C 1 83 ? -23.299 -21.543 -8.422 1.00 18.76 ? 84 PHE C CG 1 ATOM 2540 C CD1 . PHE C 1 83 ? -24.054 -20.780 -9.351 1.00 18.09 ? 84 PHE C CD1 1 ATOM 2541 C CD2 . PHE C 1 83 ? -22.090 -21.081 -7.931 1.00 20.53 ? 84 PHE C CD2 1 ATOM 2542 C CE1 . PHE C 1 83 ? -23.552 -19.520 -9.753 1.00 17.85 ? 84 PHE C CE1 1 ATOM 2543 C CE2 . PHE C 1 83 ? -21.532 -19.838 -8.363 1.00 19.23 ? 84 PHE C CE2 1 ATOM 2544 C CZ . PHE C 1 83 ? -22.239 -19.064 -9.245 1.00 18.64 ? 84 PHE C CZ 1 ATOM 2545 N N . ILE C 1 84 ? -22.949 -25.521 -6.641 1.00 20.99 ? 85 ILE C N 1 ATOM 2546 C CA . ILE C 1 84 ? -23.566 -26.288 -5.557 1.00 21.25 ? 85 ILE C CA 1 ATOM 2547 C C . ILE C 1 84 ? -24.126 -25.225 -4.602 1.00 19.22 ? 85 ILE C C 1 ATOM 2548 O O . ILE C 1 84 ? -23.350 -24.365 -4.154 1.00 22.78 ? 85 ILE C O 1 ATOM 2549 C CB . ILE C 1 84 ? -22.496 -27.141 -4.777 1.00 23.27 ? 85 ILE C CB 1 ATOM 2550 C CG1 . ILE C 1 84 ? -21.834 -28.142 -5.716 1.00 22.95 ? 85 ILE C CG1 1 ATOM 2551 C CG2 . ILE C 1 84 ? -23.280 -27.853 -3.597 1.00 22.86 ? 85 ILE C CG2 1 ATOM 2552 C CD1 . ILE C 1 84 ? -22.915 -28.993 -6.559 1.00 23.63 ? 85 ILE C CD1 1 ATOM 2553 N N . ASP C 1 85 ? -25.428 -25.187 -4.443 1.00 19.95 ? 86 ASP C N 1 ATOM 2554 C CA . ASP C 1 85 ? -26.131 -24.144 -3.626 1.00 20.64 ? 86 ASP C CA 1 ATOM 2555 C C . ASP C 1 85 ? -25.749 -24.322 -2.114 1.00 21.97 ? 86 ASP C C 1 ATOM 2556 O O . ASP C 1 85 ? -25.140 -25.363 -1.734 1.00 20.92 ? 86 ASP C O 1 ATOM 2557 C CB . ASP C 1 85 ? -27.634 -24.201 -3.796 1.00 22.63 ? 86 ASP C CB 1 ATOM 2558 C CG . ASP C 1 85 ? -28.306 -22.833 -3.620 1.00 25.26 ? 86 ASP C CG 1 ATOM 2559 O OD1 . ASP C 1 85 ? -29.425 -22.757 -4.126 1.00 32.00 ? 86 ASP C OD1 1 ATOM 2560 O OD2 . ASP C 1 85 ? -27.690 -21.897 -2.992 1.00 28.89 ? 86 ASP C OD2 1 ATOM 2561 N N . ARG C 1 86 ? -26.199 -23.403 -1.269 1.00 19.10 ? 87 ARG C N 1 ATOM 2562 C CA . ARG C 1 86 ? -25.868 -23.475 0.181 1.00 22.60 ? 87 ARG C CA 1 ATOM 2563 C C . ARG C 1 86 ? -26.450 -24.747 0.815 1.00 23.39 ? 87 ARG C C 1 ATOM 2564 O O . ARG C 1 86 ? -25.881 -25.234 1.740 1.00 23.90 ? 87 ARG C O 1 ATOM 2565 C CB . ARG C 1 86 ? -26.456 -22.304 0.966 1.00 24.53 ? 87 ARG C CB 1 ATOM 2566 C CG . ARG C 1 86 ? -25.811 -21.010 0.445 1.00 35.13 ? 87 ARG C CG 1 ATOM 2567 C CD . ARG C 1 86 ? -26.251 -19.780 1.244 1.00 44.87 ? 87 ARG C CD 1 ATOM 2568 N NE . ARG C 1 86 ? -25.870 -18.541 0.540 1.00 55.51 ? 87 ARG C NE 1 ATOM 2569 C CZ . ARG C 1 86 ? -24.633 -18.186 0.156 1.00 59.51 ? 87 ARG C CZ 1 ATOM 2570 N NH1 . ARG C 1 86 ? -23.585 -18.994 0.330 1.00 63.68 ? 87 ARG C NH1 1 ATOM 2571 N NH2 . ARG C 1 86 ? -24.447 -17.011 -0.453 1.00 58.18 ? 87 ARG C NH2 1 ATOM 2572 N N . ASN C 1 87 ? -27.603 -25.149 0.308 1.00 22.25 ? 88 ASN C N 1 ATOM 2573 C CA . ASN C 1 87 ? -28.234 -26.410 0.740 1.00 23.21 ? 88 ASN C CA 1 ATOM 2574 C C . ASN C 1 87 ? -27.672 -27.684 0.113 1.00 21.97 ? 88 ASN C C 1 ATOM 2575 O O . ASN C 1 87 ? -28.324 -28.775 0.255 1.00 23.11 ? 88 ASN C O 1 ATOM 2576 C CB . ASN C 1 87 ? -29.710 -26.335 0.565 1.00 22.03 ? 88 ASN C CB 1 ATOM 2577 C CG . ASN C 1 87 ? -30.227 -26.229 -0.933 1.00 21.85 ? 88 ASN C CG 1 ATOM 2578 O OD1 . ASN C 1 87 ? -31.456 -26.051 -1.163 1.00 28.09 ? 88 ASN C OD1 1 ATOM 2579 N ND2 . ASN C 1 87 ? -29.391 -26.493 -1.879 1.00 19.26 ? 88 ASN C ND2 1 ATOM 2580 N N . GLY C 1 88 ? -26.561 -27.580 -0.645 1.00 21.88 ? 89 GLY C N 1 ATOM 2581 C CA . GLY C 1 88 ? -25.939 -28.754 -1.276 1.00 21.24 ? 89 GLY C CA 1 ATOM 2582 C C . GLY C 1 88 ? -26.522 -29.271 -2.574 1.00 22.96 ? 89 GLY C C 1 ATOM 2583 O O . GLY C 1 88 ? -26.061 -30.309 -3.075 1.00 21.69 ? 89 GLY C O 1 ATOM 2584 N N . LYS C 1 89 ? -27.558 -28.636 -3.080 1.00 22.50 ? 90 LYS C N 1 ATOM 2585 C CA . LYS C 1 89 ? -28.212 -29.058 -4.294 1.00 23.92 ? 90 LYS C CA 1 ATOM 2586 C C . LYS C 1 89 ? -27.445 -28.387 -5.488 1.00 23.55 ? 90 LYS C C 1 ATOM 2587 O O . LYS C 1 89 ? -26.899 -27.262 -5.342 1.00 22.07 ? 90 LYS C O 1 ATOM 2588 C CB . LYS C 1 89 ? -29.652 -28.574 -4.346 1.00 24.59 ? 90 LYS C CB 1 ATOM 2589 C CG . LYS C 1 89 ? -30.643 -29.692 -3.843 1.00 32.72 ? 90 LYS C CG 1 ATOM 2590 C CD . LYS C 1 89 ? -32.031 -29.443 -4.182 1.00 39.50 ? 90 LYS C CD 1 ATOM 2591 C CE . LYS C 1 89 ? -32.578 -30.027 -5.488 1.00 29.18 ? 90 LYS C CE 1 ATOM 2592 N NZ . LYS C 1 89 ? -32.606 -31.546 -5.602 1.00 30.15 ? 90 LYS C NZ 1 ATOM 2593 N N . GLU C 1 90 ? -27.441 -29.020 -6.645 1.00 20.31 ? 91 GLU C N 1 ATOM 2594 C CA . GLU C 1 90 ? -26.957 -28.376 -7.850 1.00 21.07 ? 91 GLU C CA 1 ATOM 2595 C C . GLU C 1 90 ? -27.954 -27.307 -8.323 1.00 20.02 ? 91 GLU C C 1 ATOM 2596 O O . GLU C 1 90 ? -29.110 -27.533 -8.236 1.00 22.29 ? 91 GLU C O 1 ATOM 2597 C CB . GLU C 1 90 ? -26.798 -29.394 -8.961 1.00 20.97 ? 91 GLU C CB 1 ATOM 2598 C CG . GLU C 1 90 ? -25.777 -30.461 -8.748 1.00 19.33 ? 91 GLU C CG 1 ATOM 2599 C CD . GLU C 1 90 ? -25.338 -31.135 -10.029 1.00 30.22 ? 91 GLU C CD 1 ATOM 2600 O OE1 . GLU C 1 90 ? -25.865 -30.800 -11.072 1.00 39.60 ? 91 GLU C OE1 1 ATOM 2601 O OE2 . GLU C 1 90 ? -24.476 -31.946 -10.031 1.00 24.18 ? 91 GLU C OE2 1 ATOM 2602 N N . VAL C 1 91 ? -27.501 -26.178 -8.863 1.00 18.97 ? 92 VAL C N 1 ATOM 2603 C CA . VAL C 1 91 ? -28.463 -25.190 -9.388 1.00 18.93 ? 92 VAL C CA 1 ATOM 2604 C C . VAL C 1 91 ? -27.764 -24.527 -10.559 1.00 18.85 ? 92 VAL C C 1 ATOM 2605 O O . VAL C 1 91 ? -26.550 -24.353 -10.516 1.00 19.40 ? 92 VAL C O 1 ATOM 2606 C CB . VAL C 1 91 ? -28.856 -24.182 -8.321 1.00 20.19 ? 92 VAL C CB 1 ATOM 2607 C CG1 . VAL C 1 91 ? -27.653 -23.499 -7.665 1.00 23.24 ? 92 VAL C CG1 1 ATOM 2608 C CG2 . VAL C 1 91 ? -29.884 -23.121 -8.802 1.00 21.73 ? 92 VAL C CG2 1 ATOM 2609 N N . LEU C 1 92 ? -28.482 -24.333 -11.668 1.00 16.71 ? 93 LEU C N 1 ATOM 2610 C CA . LEU C 1 92 ? -27.784 -23.657 -12.798 1.00 18.29 ? 93 LEU C CA 1 ATOM 2611 C C . LEU C 1 92 ? -28.323 -22.214 -12.710 1.00 16.97 ? 93 LEU C C 1 ATOM 2612 O O . LEU C 1 92 ? -29.545 -22.006 -12.756 1.00 18.28 ? 93 LEU C O 1 ATOM 2613 C CB . LEU C 1 92 ? -28.219 -24.215 -14.197 1.00 17.80 ? 93 LEU C CB 1 ATOM 2614 C CG . LEU C 1 92 ? -27.945 -25.696 -14.347 1.00 17.27 ? 93 LEU C CG 1 ATOM 2615 C CD1 . LEU C 1 92 ? -28.380 -26.010 -15.809 1.00 16.92 ? 93 LEU C CD1 1 ATOM 2616 C CD2 . LEU C 1 92 ? -26.487 -26.012 -14.030 1.00 20.96 ? 93 LEU C CD2 1 ATOM 2617 N N . LYS C 1 93 ? -27.426 -21.202 -12.588 1.00 17.58 ? 94 LYS C N 1 ATOM 2618 C CA . LYS C 1 93 ? -27.871 -19.792 -12.581 1.00 15.54 ? 94 LYS C CA 1 ATOM 2619 C C . LYS C 1 93 ? -27.474 -19.294 -13.956 1.00 16.04 ? 94 LYS C C 1 ATOM 2620 O O . LYS C 1 93 ? -26.312 -19.386 -14.321 1.00 16.62 ? 94 LYS C O 1 ATOM 2621 C CB . LYS C 1 93 ? -27.214 -18.944 -11.487 1.00 16.58 ? 94 LYS C CB 1 ATOM 2622 C CG . LYS C 1 93 ? -27.704 -19.547 -10.124 1.00 22.33 ? 94 LYS C CG 1 ATOM 2623 C CD . LYS C 1 93 ? -27.953 -18.658 -8.936 1.00 30.34 ? 94 LYS C CD 1 ATOM 2624 C CE . LYS C 1 93 ? -29.001 -17.708 -9.293 1.00 36.47 ? 94 LYS C CE 1 ATOM 2625 N NZ . LYS C 1 93 ? -28.883 -16.611 -8.313 1.00 32.92 ? 94 LYS C NZ 1 ATOM 2626 N N . THR C 1 94 ? -28.439 -18.883 -14.755 1.00 14.95 ? 95 THR C N 1 ATOM 2627 C CA . THR C 1 94 ? -28.072 -18.467 -16.118 1.00 15.08 ? 95 THR C CA 1 ATOM 2628 C C . THR C 1 94 ? -28.776 -17.169 -16.505 1.00 15.02 ? 95 THR C C 1 ATOM 2629 O O . THR C 1 94 ? -29.704 -16.708 -15.823 1.00 15.77 ? 95 THR C O 1 ATOM 2630 C CB . THR C 1 94 ? -28.571 -19.526 -17.238 1.00 19.91 ? 95 THR C CB 1 ATOM 2631 O OG1 . THR C 1 94 ? -30.010 -19.427 -17.350 1.00 20.18 ? 95 THR C OG1 1 ATOM 2632 C CG2 . THR C 1 94 ? -28.162 -20.975 -16.827 1.00 20.47 ? 95 THR C CG2 1 ATOM 2633 N N . MET C 1 95 ? -28.232 -16.505 -17.529 1.00 13.72 ? 96 MET C N 1 ATOM 2634 C CA . MET C 1 95 ? -28.889 -15.409 -18.168 1.00 15.50 ? 96 MET C CA 1 ATOM 2635 C C . MET C 1 95 ? -28.998 -15.786 -19.625 1.00 15.57 ? 96 MET C C 1 ATOM 2636 O O . MET C 1 95 ? -28.236 -16.581 -20.125 1.00 16.19 ? 96 MET C O 1 ATOM 2637 C CB . MET C 1 95 ? -28.148 -14.085 -17.965 1.00 13.87 ? 96 MET C CB 1 ATOM 2638 C CG . MET C 1 95 ? -28.092 -13.637 -16.391 1.00 16.24 ? 96 MET C CG 1 ATOM 2639 S SD . MET C 1 95 ? -27.777 -11.925 -16.242 1.00 20.61 ? 96 MET C SD 1 ATOM 2640 C CE . MET C 1 95 ? -29.415 -11.210 -16.957 1.00 16.15 ? 96 MET C CE 1 ATOM 2641 N N . TRP C 1 96 ? -29.951 -15.134 -20.301 1.00 14.98 ? 97 TRP C N 1 ATOM 2642 C CA . TRP C 1 96 ? -30.181 -15.454 -21.753 1.00 13.82 ? 97 TRP C CA 1 ATOM 2643 C C . TRP C 1 96 ? -30.464 -14.269 -22.596 1.00 15.60 ? 97 TRP C C 1 ATOM 2644 O O . TRP C 1 96 ? -30.847 -13.171 -22.041 1.00 14.39 ? 97 TRP C O 1 ATOM 2645 C CB . TRP C 1 96 ? -31.404 -16.479 -21.798 1.00 14.71 ? 97 TRP C CB 1 ATOM 2646 C CG . TRP C 1 96 ? -32.678 -16.052 -21.086 1.00 15.79 ? 97 TRP C CG 1 ATOM 2647 C CD1 . TRP C 1 96 ? -33.117 -16.472 -19.907 1.00 16.59 ? 97 TRP C CD1 1 ATOM 2648 C CD2 . TRP C 1 96 ? -33.683 -15.164 -21.616 1.00 15.95 ? 97 TRP C CD2 1 ATOM 2649 N NE1 . TRP C 1 96 ? -34.287 -15.835 -19.557 1.00 17.69 ? 97 TRP C NE1 1 ATOM 2650 C CE2 . TRP C 1 96 ? -34.706 -15.063 -20.598 1.00 17.11 ? 97 TRP C CE2 1 ATOM 2651 C CE3 . TRP C 1 96 ? -33.802 -14.452 -22.852 1.00 17.16 ? 97 TRP C CE3 1 ATOM 2652 C CZ2 . TRP C 1 96 ? -35.864 -14.234 -20.732 1.00 15.64 ? 97 TRP C CZ2 1 ATOM 2653 C CZ3 . TRP C 1 96 ? -34.991 -13.592 -23.018 1.00 17.42 ? 97 TRP C CZ3 1 ATOM 2654 C CH2 . TRP C 1 96 ? -35.948 -13.514 -21.951 1.00 16.26 ? 97 TRP C CH2 1 ATOM 2655 N N . LEU C 1 97 ? -30.237 -14.429 -23.899 1.00 14.46 ? 98 LEU C N 1 ATOM 2656 C CA . LEU C 1 97 ? -30.657 -13.382 -24.918 1.00 15.98 ? 98 LEU C CA 1 ATOM 2657 C C . LEU C 1 97 ? -31.493 -14.195 -25.876 1.00 17.63 ? 98 LEU C C 1 ATOM 2658 O O . LEU C 1 97 ? -31.078 -15.280 -26.311 1.00 15.41 ? 98 LEU C O 1 ATOM 2659 C CB . LEU C 1 97 ? -29.475 -12.820 -25.674 1.00 15.18 ? 98 LEU C CB 1 ATOM 2660 C CG . LEU C 1 97 ? -28.460 -12.047 -24.810 1.00 13.93 ? 98 LEU C CG 1 ATOM 2661 C CD1 . LEU C 1 97 ? -27.153 -11.619 -25.616 1.00 16.69 ? 98 LEU C CD1 1 ATOM 2662 C CD2 . LEU C 1 97 ? -29.179 -10.746 -24.134 1.00 14.86 ? 98 LEU C CD2 1 ATOM 2663 N N . LEU C 1 98 ? -32.672 -13.670 -26.188 1.00 16.99 ? 99 LEU C N 1 ATOM 2664 C CA . LEU C 1 98 ? -33.575 -14.210 -27.173 1.00 17.25 ? 99 LEU C CA 1 ATOM 2665 C C . LEU C 1 98 ? -33.571 -13.269 -28.362 1.00 18.10 ? 99 LEU C C 1 ATOM 2666 O O . LEU C 1 98 ? -33.923 -12.130 -28.251 1.00 18.40 ? 99 LEU C O 1 ATOM 2667 C CB . LEU C 1 98 ? -34.967 -14.340 -26.593 1.00 15.53 ? 99 LEU C CB 1 ATOM 2668 C CG . LEU C 1 98 ? -36.132 -14.541 -27.561 1.00 19.79 ? 99 LEU C CG 1 ATOM 2669 C CD1 . LEU C 1 98 ? -35.934 -15.812 -28.316 1.00 23.27 ? 99 LEU C CD1 1 ATOM 2670 C CD2 . LEU C 1 98 ? -37.386 -14.635 -26.809 1.00 20.19 ? 99 LEU C CD2 1 ATOM 2671 N N . ARG C 1 99 ? -33.105 -13.777 -29.494 1.00 18.94 ? 100 ARG C N 1 ATOM 2672 C CA . ARG C 1 99 ? -32.984 -12.986 -30.675 1.00 20.20 ? 100 ARG C CA 1 ATOM 2673 C C . ARG C 1 99 ? -34.133 -13.279 -31.601 1.00 21.60 ? 100 ARG C C 1 ATOM 2674 O O . ARG C 1 99 ? -34.311 -14.369 -31.997 1.00 22.34 ? 100 ARG C O 1 ATOM 2675 C CB . ARG C 1 99 ? -31.688 -13.238 -31.395 1.00 23.22 ? 100 ARG C CB 1 ATOM 2676 C CG . ARG C 1 99 ? -31.685 -12.925 -32.875 1.00 24.34 ? 100 ARG C CG 1 ATOM 2677 C CD . ARG C 1 99 ? -32.152 -11.565 -33.330 1.00 30.94 ? 100 ARG C CD 1 ATOM 2678 N NE . ARG C 1 99 ? -31.182 -10.539 -33.278 1.00 36.37 ? 100 ARG C NE 1 ATOM 2679 C CZ . ARG C 1 99 ? -30.996 -9.530 -34.114 1.00 24.35 ? 100 ARG C CZ 1 ATOM 2680 N NH1 . ARG C 1 99 ? -31.686 -9.327 -35.191 1.00 28.62 ? 100 ARG C NH1 1 ATOM 2681 N NH2 . ARG C 1 99 ? -30.054 -8.701 -33.814 1.00 22.62 ? 100 ARG C NH2 1 ATOM 2682 N N . SER C 1 100 ? -34.906 -12.260 -31.870 1.00 22.45 ? 101 SER C N 1 ATOM 2683 C CA . SER C 1 100 ? -36.014 -12.436 -32.841 1.00 23.44 ? 101 SER C CA 1 ATOM 2684 C C . SER C 1 100 ? -35.537 -12.169 -34.244 1.00 22.04 ? 101 SER C C 1 ATOM 2685 O O . SER C 1 100 ? -34.587 -11.455 -34.413 1.00 22.45 ? 101 SER C O 1 ATOM 2686 C CB . SER C 1 100 ? -37.149 -11.455 -32.545 1.00 21.62 ? 101 SER C CB 1 ATOM 2687 O OG . SER C 1 100 ? -37.788 -11.753 -31.363 1.00 29.08 ? 101 SER C OG 1 ATOM 2688 N N . SER C 1 101 ? -36.226 -12.723 -35.256 1.00 24.22 ? 102 SER C N 1 ATOM 2689 C CA . SER C 1 101 ? -35.865 -12.378 -36.637 1.00 23.95 ? 102 SER C CA 1 ATOM 2690 C C . SER C 1 101 ? -36.574 -11.070 -37.028 1.00 25.41 ? 102 SER C C 1 ATOM 2691 O O . SER C 1 101 ? -37.838 -11.011 -36.863 1.00 28.22 ? 102 SER C O 1 ATOM 2692 C CB . SER C 1 101 ? -36.383 -13.521 -37.542 1.00 26.71 ? 102 SER C CB 1 ATOM 2693 O OG . SER C 1 101 ? -36.226 -12.992 -38.897 1.00 27.53 ? 102 SER C OG 1 ATOM 2694 N N . VAL C 1 102 ? -35.851 -10.105 -37.507 1.00 23.70 ? 103 VAL C N 1 ATOM 2695 C CA . VAL C 1 102 ? -36.495 -8.882 -38.046 1.00 29.14 ? 103 VAL C CA 1 ATOM 2696 C C . VAL C 1 102 ? -36.409 -8.937 -39.592 1.00 32.54 ? 103 VAL C C 1 ATOM 2697 O O . VAL C 1 102 ? -35.569 -9.606 -40.131 1.00 30.19 ? 103 VAL C O 1 ATOM 2698 C CB . VAL C 1 102 ? -35.972 -7.572 -37.466 1.00 28.68 ? 103 VAL C CB 1 ATOM 2699 C CG1 . VAL C 1 102 ? -36.333 -7.517 -35.921 1.00 26.76 ? 103 VAL C CG1 1 ATOM 2700 C CG2 . VAL C 1 102 ? -34.500 -7.232 -37.718 1.00 29.09 ? 103 VAL C CG2 1 ATOM 2701 N N . ASN C 1 103 ? -37.248 -8.149 -40.294 1.00 36.30 ? 104 ASN C N 1 ATOM 2702 C CA . ASN C 1 103 ? -37.255 -8.216 -41.757 1.00 38.56 ? 104 ASN C CA 1 ATOM 2703 C C . ASN C 1 103 ? -36.235 -7.298 -42.309 1.00 38.72 ? 104 ASN C C 1 ATOM 2704 O O . ASN C 1 103 ? -35.673 -7.553 -43.339 1.00 40.75 ? 104 ASN C O 1 ATOM 2705 C CB . ASN C 1 103 ? -38.706 -7.991 -42.312 1.00 41.30 ? 104 ASN C CB 1 ATOM 2706 C CG . ASN C 1 103 ? -39.606 -9.238 -42.059 1.00 47.25 ? 104 ASN C CG 1 ATOM 2707 O OD1 . ASN C 1 103 ? -39.223 -10.373 -42.386 1.00 51.52 ? 104 ASN C OD1 1 ATOM 2708 N ND2 . ASN C 1 103 ? -40.744 -9.043 -41.418 1.00 51.28 ? 104 ASN C ND2 1 ATOM 2709 N N . ASP C 1 104 ? -35.861 -6.274 -41.587 1.00 38.58 ? 105 ASP C N 1 ATOM 2710 C CA . ASP C 1 104 ? -34.995 -5.266 -42.139 1.00 40.29 ? 105 ASP C CA 1 ATOM 2711 C C . ASP C 1 104 ? -33.933 -4.921 -41.113 1.00 39.70 ? 105 ASP C C 1 ATOM 2712 O O . ASP C 1 104 ? -34.262 -4.930 -39.910 1.00 39.44 ? 105 ASP C O 1 ATOM 2713 C CB . ASP C 1 104 ? -35.870 -3.978 -42.374 1.00 42.60 ? 105 ASP C CB 1 ATOM 2714 C CG . ASP C 1 104 ? -35.081 -2.881 -43.005 1.00 51.14 ? 105 ASP C CG 1 ATOM 2715 O OD1 . ASP C 1 104 ? -34.542 -3.161 -44.100 1.00 61.54 ? 105 ASP C OD1 1 ATOM 2716 O OD2 . ASP C 1 104 ? -34.934 -1.760 -42.433 1.00 57.95 ? 105 ASP C OD2 1 ATOM 2717 N N . ILE C 1 105 ? -32.738 -4.520 -41.552 1.00 37.59 ? 106 ILE C N 1 ATOM 2718 C CA . ILE C 1 105 ? -31.641 -4.113 -40.678 1.00 36.10 ? 106 ILE C CA 1 ATOM 2719 C C . ILE C 1 105 ? -31.993 -2.923 -39.781 1.00 36.97 ? 106 ILE C C 1 ATOM 2720 O O . ILE C 1 105 ? -31.580 -2.898 -38.633 1.00 36.66 ? 106 ILE C O 1 ATOM 2721 C CB . ILE C 1 105 ? -30.317 -3.928 -41.468 1.00 35.97 ? 106 ILE C CB 1 ATOM 2722 C CG1 . ILE C 1 105 ? -29.121 -3.916 -40.541 1.00 37.89 ? 106 ILE C CG1 1 ATOM 2723 C CG2 . ILE C 1 105 ? -30.288 -2.624 -42.253 1.00 35.88 ? 106 ILE C CG2 1 ATOM 2724 C CD1 . ILE C 1 105 ? -27.752 -4.001 -41.225 1.00 33.42 ? 106 ILE C CD1 1 ATOM 2725 N N . GLY C 1 106 ? -32.743 -1.923 -40.309 1.00 36.12 ? 107 GLY C N 1 ATOM 2726 C CA . GLY C 1 106 ? -33.218 -0.748 -39.504 1.00 32.80 ? 107 GLY C CA 1 ATOM 2727 C C . GLY C 1 106 ? -33.952 -1.092 -38.205 1.00 30.24 ? 107 GLY C C 1 ATOM 2728 O O . GLY C 1 106 ? -33.982 -0.241 -37.307 1.00 32.11 ? 107 GLY C O 1 ATOM 2729 N N . ASP C 1 107 ? -34.581 -2.256 -38.143 1.00 28.84 ? 108 ASP C N 1 ATOM 2730 C CA . ASP C 1 107 ? -35.337 -2.701 -36.989 1.00 28.65 ? 108 ASP C CA 1 ATOM 2731 C C . ASP C 1 107 ? -34.443 -3.581 -35.999 1.00 26.18 ? 108 ASP C C 1 ATOM 2732 O O . ASP C 1 107 ? -34.985 -4.320 -35.157 1.00 25.43 ? 108 ASP C O 1 ATOM 2733 C CB . ASP C 1 107 ? -36.438 -3.612 -37.452 1.00 29.63 ? 108 ASP C CB 1 ATOM 2734 C CG . ASP C 1 107 ? -37.640 -2.778 -38.082 1.00 35.64 ? 108 ASP C CG 1 ATOM 2735 O OD1 . ASP C 1 107 ? -37.769 -1.551 -37.772 1.00 40.52 ? 108 ASP C OD1 1 ATOM 2736 O OD2 . ASP C 1 107 ? -38.355 -3.370 -38.891 1.00 39.00 ? 108 ASP C OD2 1 ATOM 2737 N N . ASP C 1 108 ? -33.159 -3.636 -36.285 1.00 26.09 ? 109 ASP C N 1 ATOM 2738 C CA . ASP C 1 108 ? -32.303 -4.610 -35.503 1.00 25.06 ? 109 ASP C CA 1 ATOM 2739 C C . ASP C 1 108 ? -32.396 -4.243 -34.045 1.00 25.25 ? 109 ASP C C 1 ATOM 2740 O O . ASP C 1 108 ? -32.318 -5.113 -33.171 1.00 21.16 ? 109 ASP C O 1 ATOM 2741 C CB . ASP C 1 108 ? -30.859 -4.448 -35.978 1.00 27.60 ? 109 ASP C CB 1 ATOM 2742 C CG . ASP C 1 108 ? -29.867 -5.364 -35.230 1.00 27.87 ? 109 ASP C CG 1 ATOM 2743 O OD1 . ASP C 1 108 ? -29.905 -6.614 -35.464 1.00 28.48 ? 109 ASP C OD1 1 ATOM 2744 O OD2 . ASP C 1 108 ? -29.133 -4.773 -34.452 1.00 32.57 ? 109 ASP C OD2 1 ATOM 2745 N N . TRP C 1 109 ? -32.561 -2.952 -33.809 1.00 23.88 ? 110 TRP C N 1 ATOM 2746 C CA . TRP C 1 109 ? -32.470 -2.380 -32.454 1.00 24.99 ? 110 TRP C CA 1 ATOM 2747 C C . TRP C 1 109 ? -33.396 -3.040 -31.520 1.00 22.67 ? 110 TRP C C 1 ATOM 2748 O O . TRP C 1 109 ? -33.100 -3.047 -30.305 1.00 23.17 ? 110 TRP C O 1 ATOM 2749 C CB . TRP C 1 109 ? -32.691 -0.883 -32.489 1.00 24.33 ? 110 TRP C CB 1 ATOM 2750 C CG . TRP C 1 109 ? -34.137 -0.554 -32.763 1.00 26.10 ? 110 TRP C CG 1 ATOM 2751 C CD1 . TRP C 1 109 ? -34.698 -0.293 -34.024 1.00 26.30 ? 110 TRP C CD1 1 ATOM 2752 C CD2 . TRP C 1 109 ? -35.181 -0.331 -31.796 1.00 25.15 ? 110 TRP C CD2 1 ATOM 2753 N NE1 . TRP C 1 109 ? -36.045 0.003 -33.844 1.00 23.40 ? 110 TRP C NE1 1 ATOM 2754 C CE2 . TRP C 1 109 ? -36.366 -0.034 -32.521 1.00 27.91 ? 110 TRP C CE2 1 ATOM 2755 C CE3 . TRP C 1 109 ? -35.254 -0.396 -30.379 1.00 25.29 ? 110 TRP C CE3 1 ATOM 2756 C CZ2 . TRP C 1 109 ? -37.608 0.204 -31.895 1.00 29.04 ? 110 TRP C CZ2 1 ATOM 2757 C CZ3 . TRP C 1 109 ? -36.518 -0.223 -29.757 1.00 27.91 ? 110 TRP C CZ3 1 ATOM 2758 C CH2 . TRP C 1 109 ? -37.676 0.117 -30.530 1.00 27.72 ? 110 TRP C CH2 1 ATOM 2759 N N . LYS C 1 110 ? -34.534 -3.558 -31.975 1.00 21.86 ? 111 LYS C N 1 ATOM 2760 C CA . LYS C 1 110 ? -35.539 -4.060 -31.095 1.00 22.22 ? 111 LYS C CA 1 ATOM 2761 C C . LYS C 1 110 ? -35.640 -5.554 -31.045 1.00 22.00 ? 111 LYS C C 1 ATOM 2762 O O . LYS C 1 110 ? -36.555 -6.137 -30.450 1.00 22.83 ? 111 LYS C O 1 ATOM 2763 C CB . LYS C 1 110 ? -36.931 -3.500 -31.513 1.00 25.78 ? 111 LYS C CB 1 ATOM 2764 C CG . LYS C 1 110 ? -37.500 -4.189 -32.835 1.00 27.69 ? 111 LYS C CG 1 ATOM 2765 C CD . LYS C 1 110 ? -38.856 -3.378 -33.213 1.00 30.44 ? 111 LYS C CD 1 ATOM 2766 C CE . LYS C 1 110 ? -39.490 -3.996 -34.432 1.00 39.25 ? 111 LYS C CE 1 ATOM 2767 N NZ . LYS C 1 110 ? -40.670 -3.114 -34.663 1.00 46.25 ? 111 LYS C NZ 1 ATOM 2768 N N . ALA C 1 111 ? -34.616 -6.242 -31.593 1.00 20.34 ? 112 ALA C N 1 ATOM 2769 C CA . ALA C 1 111 ? -34.756 -7.680 -31.782 1.00 20.09 ? 112 ALA C CA 1 ATOM 2770 C C . ALA C 1 111 ? -34.203 -8.533 -30.657 1.00 20.20 ? 112 ALA C C 1 ATOM 2771 O O . ALA C 1 111 ? -34.269 -9.750 -30.780 1.00 19.80 ? 112 ALA C O 1 ATOM 2772 C CB . ALA C 1 111 ? -33.962 -8.205 -33.116 1.00 20.87 ? 112 ALA C CB 1 ATOM 2773 N N . THR C 1 112 ? -33.741 -7.945 -29.563 1.00 20.05 ? 113 THR C N 1 ATOM 2774 C CA . THR C 1 112 ? -33.098 -8.868 -28.531 1.00 17.89 ? 113 THR C CA 1 ATOM 2775 C C . THR C 1 112 ? -33.683 -8.650 -27.128 1.00 15.86 ? 113 THR C C 1 ATOM 2776 O O . THR C 1 112 ? -33.637 -7.502 -26.659 1.00 19.40 ? 113 THR C O 1 ATOM 2777 C CB . THR C 1 112 ? -31.630 -8.507 -28.438 1.00 17.14 ? 113 THR C CB 1 ATOM 2778 O OG1 . THR C 1 112 ? -31.026 -8.615 -29.740 1.00 19.25 ? 113 THR C OG1 1 ATOM 2779 C CG2 . THR C 1 112 ? -30.918 -9.668 -27.562 1.00 17.11 ? 113 THR C CG2 1 ATOM 2780 N N . ARG C 1 113 ? -34.281 -9.681 -26.572 1.00 17.10 ? 114 ARG C N 1 ATOM 2781 C CA . ARG C 1 113 ? -34.785 -9.607 -25.223 1.00 17.32 ? 114 ARG C CA 1 ATOM 2782 C C . ARG C 1 113 ? -33.717 -10.267 -24.282 1.00 17.95 ? 114 ARG C C 1 ATOM 2783 O O . ARG C 1 113 ? -32.911 -11.096 -24.761 1.00 17.33 ? 114 ARG C O 1 ATOM 2784 C CB . ARG C 1 113 ? -35.994 -10.346 -25.097 1.00 17.65 ? 114 ARG C CB 1 ATOM 2785 C CG . ARG C 1 113 ? -37.220 -9.672 -25.820 1.00 18.89 ? 114 ARG C CG 1 ATOM 2786 C CD . ARG C 1 113 ? -38.336 -10.653 -25.761 1.00 22.39 ? 114 ARG C CD 1 ATOM 2787 N NE . ARG C 1 113 ? -39.545 -9.978 -26.262 1.00 31.92 ? 114 ARG C NE 1 ATOM 2788 C CZ . ARG C 1 113 ? -40.150 -10.319 -27.400 1.00 37.59 ? 114 ARG C CZ 1 ATOM 2789 N NH1 . ARG C 1 113 ? -39.622 -11.277 -28.223 1.00 32.50 ? 114 ARG C NH1 1 ATOM 2790 N NH2 . ARG C 1 113 ? -41.271 -9.700 -27.713 1.00 39.45 ? 114 ARG C NH2 1 ATOM 2791 N N . VAL C 1 114 ? -33.821 -9.951 -23.031 1.00 15.56 ? 115 VAL C N 1 ATOM 2792 C CA . VAL C 1 114 ? -32.845 -10.521 -22.043 1.00 16.24 ? 115 VAL C CA 1 ATOM 2793 C C . VAL C 1 114 ? -33.574 -10.959 -20.812 1.00 14.60 ? 115 VAL C C 1 ATOM 2794 O O . VAL C 1 114 ? -34.668 -10.374 -20.440 1.00 15.74 ? 115 VAL C O 1 ATOM 2795 C CB . VAL C 1 114 ? -31.749 -9.403 -21.753 1.00 14.64 ? 115 VAL C CB 1 ATOM 2796 C CG1 . VAL C 1 114 ? -32.365 -8.067 -21.122 1.00 15.46 ? 115 VAL C CG1 1 ATOM 2797 C CG2 . VAL C 1 114 ? -30.568 -9.956 -20.806 1.00 14.84 ? 115 VAL C CG2 1 ATOM 2798 N N . GLY C 1 115 ? -32.995 -11.930 -20.076 1.00 14.26 ? 116 GLY C N 1 ATOM 2799 C CA . GLY C 1 115 ? -33.642 -12.336 -18.849 1.00 14.82 ? 116 GLY C CA 1 ATOM 2800 C C . GLY C 1 115 ? -32.755 -13.315 -18.059 1.00 14.90 ? 116 GLY C C 1 ATOM 2801 O O . GLY C 1 115 ? -31.617 -13.543 -18.503 1.00 14.70 ? 116 GLY C O 1 ATOM 2802 N N . ILE C 1 116 ? -33.305 -13.857 -17.023 1.00 15.33 ? 117 ILE C N 1 ATOM 2803 C CA . ILE C 1 116 ? -32.572 -14.909 -16.228 1.00 14.45 ? 117 ILE C CA 1 ATOM 2804 C C . ILE C 1 116 ? -33.337 -16.193 -16.319 1.00 17.37 ? 117 ILE C C 1 ATOM 2805 O O . ILE C 1 116 ? -34.539 -16.234 -16.641 1.00 17.90 ? 117 ILE C O 1 ATOM 2806 C CB . ILE C 1 116 ? -32.457 -14.562 -14.677 1.00 14.97 ? 117 ILE C CB 1 ATOM 2807 C CG1 . ILE C 1 116 ? -33.836 -14.384 -14.000 1.00 16.64 ? 117 ILE C CG1 1 ATOM 2808 C CG2 . ILE C 1 116 ? -31.535 -13.278 -14.563 1.00 18.91 ? 117 ILE C CG2 1 ATOM 2809 C CD1 . ILE C 1 116 ? -33.877 -15.050 -12.561 1.00 30.25 ? 117 ILE C CD1 1 ATOM 2810 N N . ASN C 1 117 ? -32.683 -17.288 -16.006 1.00 17.59 ? 118 ASN C N 1 ATOM 2811 C CA . ASN C 1 117 ? -33.417 -18.554 -15.835 1.00 20.92 ? 118 ASN C CA 1 ATOM 2812 C C . ASN C 1 117 ? -32.608 -19.345 -14.763 1.00 20.00 ? 118 ASN C C 1 ATOM 2813 O O . ASN C 1 117 ? -31.342 -19.551 -14.896 1.00 22.14 ? 118 ASN C O 1 ATOM 2814 C CB . ASN C 1 117 ? -33.331 -19.187 -17.224 1.00 25.69 ? 118 ASN C CB 1 ATOM 2815 C CG . ASN C 1 117 ? -34.299 -20.192 -17.444 1.00 32.65 ? 118 ASN C CG 1 ATOM 2816 O OD1 . ASN C 1 117 ? -34.724 -20.450 -18.633 1.00 45.74 ? 118 ASN C OD1 1 ATOM 2817 N ND2 . ASN C 1 117 ? -34.621 -20.882 -16.424 1.00 32.48 ? 118 ASN C ND2 1 ATOM 2818 N N . ILE C 1 118 ? -33.280 -19.844 -13.726 1.00 17.89 ? 119 ILE C N 1 ATOM 2819 C CA . ILE C 1 118 ? -32.570 -20.645 -12.714 1.00 19.84 ? 119 ILE C CA 1 ATOM 2820 C C . ILE C 1 118 ? -33.146 -22.062 -12.811 1.00 20.89 ? 119 ILE C C 1 ATOM 2821 O O . ILE C 1 118 ? -34.358 -22.200 -12.867 1.00 20.31 ? 119 ILE C O 1 ATOM 2822 C CB . ILE C 1 118 ? -32.862 -20.061 -11.336 1.00 20.08 ? 119 ILE C CB 1 ATOM 2823 C CG1 . ILE C 1 118 ? -32.322 -18.585 -11.340 1.00 22.31 ? 119 ILE C CG1 1 ATOM 2824 C CG2 . ILE C 1 118 ? -32.161 -20.891 -10.278 1.00 19.38 ? 119 ILE C CG2 1 ATOM 2825 C CD1 . ILE C 1 118 ? -32.766 -17.855 -10.042 1.00 31.33 ? 119 ILE C CD1 1 ATOM 2826 N N . PHE C 1 119 ? -32.279 -23.022 -13.002 1.00 18.08 ? 120 PHE C N 1 ATOM 2827 C CA . PHE C 1 119 ? -32.725 -24.465 -13.088 1.00 18.30 ? 120 PHE C CA 1 ATOM 2828 C C . PHE C 1 119 ? -32.349 -25.272 -11.952 1.00 19.18 ? 120 PHE C C 1 ATOM 2829 O O . PHE C 1 119 ? -31.223 -25.138 -11.388 1.00 18.82 ? 120 PHE C O 1 ATOM 2830 C CB . PHE C 1 119 ? -32.019 -25.092 -14.345 1.00 16.70 ? 120 PHE C CB 1 ATOM 2831 C CG . PHE C 1 119 ? -32.349 -24.389 -15.688 1.00 19.98 ? 120 PHE C CG 1 ATOM 2832 C CD1 . PHE C 1 119 ? -31.582 -23.331 -16.174 1.00 19.96 ? 120 PHE C CD1 1 ATOM 2833 C CD2 . PHE C 1 119 ? -33.388 -24.899 -16.464 1.00 25.48 ? 120 PHE C CD2 1 ATOM 2834 C CE1 . PHE C 1 119 ? -31.762 -22.795 -17.446 1.00 26.01 ? 120 PHE C CE1 1 ATOM 2835 C CE2 . PHE C 1 119 ? -33.646 -24.328 -17.752 1.00 23.19 ? 120 PHE C CE2 1 ATOM 2836 C CZ . PHE C 1 119 ? -32.850 -23.309 -18.242 1.00 20.31 ? 120 PHE C CZ 1 ATOM 2837 N N . THR C 1 120 ? -33.220 -26.230 -11.643 1.00 19.52 ? 121 THR C N 1 ATOM 2838 C CA . THR C 1 120 ? -32.974 -27.197 -10.657 1.00 22.31 ? 121 THR C CA 1 ATOM 2839 C C . THR C 1 120 ? -33.321 -28.554 -11.287 1.00 23.57 ? 121 THR C C 1 ATOM 2840 O O . THR C 1 120 ? -34.043 -28.598 -12.289 1.00 23.06 ? 121 THR C O 1 ATOM 2841 C CB . THR C 1 120 ? -33.907 -26.871 -9.432 1.00 24.28 ? 121 THR C CB 1 ATOM 2842 O OG1 . THR C 1 120 ? -33.568 -27.720 -8.395 1.00 26.54 ? 121 THR C OG1 1 ATOM 2843 C CG2 . THR C 1 120 ? -35.396 -27.092 -9.691 1.00 25.05 ? 121 THR C CG2 1 ATOM 2844 N N . ARG C 1 121 ? -32.735 -29.594 -10.766 1.00 25.25 ? 122 ARG C N 1 ATOM 2845 C CA . ARG C 1 121 ? -32.936 -30.959 -11.312 1.00 31.74 ? 122 ARG C CA 1 ATOM 2846 C C . ARG C 1 121 ? -34.351 -31.524 -11.121 1.00 35.47 ? 122 ARG C C 1 ATOM 2847 O O . ARG C 1 121 ? -35.069 -31.145 -10.168 1.00 34.57 ? 122 ARG C O 1 ATOM 2848 C CB . ARG C 1 121 ? -31.914 -31.904 -10.732 1.00 31.58 ? 122 ARG C CB 1 ATOM 2849 C CG . ARG C 1 121 ? -30.542 -31.660 -11.274 1.00 35.24 ? 122 ARG C CG 1 ATOM 2850 C CD . ARG C 1 121 ? -30.195 -32.591 -12.410 1.00 43.92 ? 122 ARG C CD 1 ATOM 2851 N NE . ARG C 1 121 ? -28.757 -32.676 -12.454 1.00 53.31 ? 122 ARG C NE 1 ATOM 2852 C CZ . ARG C 1 121 ? -28.048 -33.798 -12.308 1.00 56.34 ? 122 ARG C CZ 1 ATOM 2853 N NH1 . ARG C 1 121 ? -28.710 -34.965 -12.165 1.00 56.42 ? 122 ARG C NH1 1 ATOM 2854 N NH2 . ARG C 1 121 ? -26.690 -33.752 -12.402 1.00 49.04 ? 122 ARG C NH2 1 ATOM 2855 N N . LEU C 1 122 ? -34.769 -32.252 -12.176 1.00 39.19 ? 123 LEU C N 1 ATOM 2856 C CA . LEU C 1 122 ? -35.965 -33.165 -12.378 1.00 45.84 ? 123 LEU C CA 1 ATOM 2857 C C . LEU C 1 122 ? -37.301 -32.522 -12.551 1.00 48.85 ? 123 LEU C C 1 ATOM 2858 O O . LEU C 1 122 ? -37.836 -32.247 -13.671 1.00 51.80 ? 123 LEU C O 1 ATOM 2859 C CB . LEU C 1 122 ? -36.058 -34.298 -11.342 1.00 45.69 ? 123 LEU C CB 1 ATOM 2860 C CG . LEU C 1 122 ? -35.487 -35.642 -11.763 1.00 49.11 ? 123 LEU C CG 1 ATOM 2861 C CD1 . LEU C 1 122 ? -34.226 -35.442 -12.671 1.00 46.05 ? 123 LEU C CD1 1 ATOM 2862 C CD2 . LEU C 1 122 ? -35.188 -36.629 -10.585 1.00 48.73 ? 123 LEU C CD2 1 ATOM 2863 O OXT . LEU C 1 122 ? -37.942 -32.349 -11.495 1.00 52.20 ? 123 LEU C OXT 1 ATOM 2864 N N . LYS D 1 2 ? -29.348 -16.826 -48.422 1.00 42.04 ? 3 LYS D N 1 ATOM 2865 C CA . LYS D 1 2 ? -28.130 -16.270 -48.979 1.00 40.84 ? 3 LYS D CA 1 ATOM 2866 C C . LYS D 1 2 ? -27.258 -15.372 -48.097 1.00 39.13 ? 3 LYS D C 1 ATOM 2867 O O . LYS D 1 2 ? -26.130 -15.083 -48.519 1.00 39.59 ? 3 LYS D O 1 ATOM 2868 C CB . LYS D 1 2 ? -28.351 -15.584 -50.337 1.00 40.81 ? 3 LYS D CB 1 ATOM 2869 C CG . LYS D 1 2 ? -29.413 -14.520 -50.506 1.00 41.48 ? 3 LYS D CG 1 ATOM 2870 C CD . LYS D 1 2 ? -29.611 -14.346 -52.103 1.00 49.67 ? 3 LYS D CD 1 ATOM 2871 C CE . LYS D 1 2 ? -30.687 -13.366 -52.439 1.00 51.41 ? 3 LYS D CE 1 ATOM 2872 N NZ . LYS D 1 2 ? -30.268 -12.048 -51.857 1.00 50.14 ? 3 LYS D NZ 1 ATOM 2873 N N . CYS D 1 3 ? -27.708 -14.934 -46.913 1.00 34.36 ? 4 CYS D N 1 ATOM 2874 C CA . CYS D 1 3 ? -26.707 -14.445 -45.934 1.00 31.74 ? 4 CYS D CA 1 ATOM 2875 C C . CYS D 1 3 ? -26.153 -15.717 -45.289 1.00 29.91 ? 4 CYS D C 1 ATOM 2876 O O . CYS D 1 3 ? -26.886 -16.419 -44.606 1.00 30.27 ? 4 CYS D O 1 ATOM 2877 C CB . CYS D 1 3 ? -27.322 -13.481 -44.817 1.00 28.86 ? 4 CYS D CB 1 ATOM 2878 S SG . CYS D 1 3 ? -26.056 -12.521 -44.005 1.00 33.61 ? 4 CYS D SG 1 ATOM 2879 N N . SER D 1 4 ? -24.867 -15.990 -45.490 1.00 30.85 ? 5 SER D N 1 ATOM 2880 C CA . SER D 1 4 ? -24.240 -17.196 -44.948 1.00 29.67 ? 5 SER D CA 1 ATOM 2881 C C . SER D 1 4 ? -23.308 -16.854 -43.783 1.00 26.91 ? 5 SER D C 1 ATOM 2882 O O . SER D 1 4 ? -22.558 -15.901 -43.856 1.00 26.77 ? 5 SER D O 1 ATOM 2883 C CB . SER D 1 4 ? -23.334 -17.802 -46.019 1.00 31.55 ? 5 SER D CB 1 ATOM 2884 O OG . SER D 1 4 ? -22.793 -19.013 -45.496 1.00 31.38 ? 5 SER D OG 1 ATOM 2885 N N . LEU D 1 5 ? -23.252 -17.711 -42.772 1.00 27.25 ? 6 LEU D N 1 ATOM 2886 C CA . LEU D 1 5 ? -22.276 -17.439 -41.685 1.00 25.77 ? 6 LEU D CA 1 ATOM 2887 C C . LEU D 1 5 ? -20.858 -17.907 -41.957 1.00 26.19 ? 6 LEU D C 1 ATOM 2888 O O . LEU D 1 5 ? -19.911 -17.500 -41.270 1.00 23.26 ? 6 LEU D O 1 ATOM 2889 C CB . LEU D 1 5 ? -22.729 -18.076 -40.340 1.00 26.42 ? 6 LEU D CB 1 ATOM 2890 C CG . LEU D 1 5 ? -24.182 -17.839 -39.930 1.00 29.13 ? 6 LEU D CG 1 ATOM 2891 C CD1 . LEU D 1 5 ? -24.502 -18.588 -38.653 1.00 28.32 ? 6 LEU D CD1 1 ATOM 2892 C CD2 . LEU D 1 5 ? -24.362 -16.308 -39.876 1.00 33.70 ? 6 LEU D CD2 1 ATOM 2893 N N . THR D 1 6 ? -20.694 -18.748 -42.978 1.00 26.16 ? 7 THR D N 1 ATOM 2894 C CA . THR D 1 6 ? -19.425 -19.401 -43.210 1.00 23.87 ? 7 THR D CA 1 ATOM 2895 C C . THR D 1 6 ? -18.461 -18.386 -43.703 1.00 24.40 ? 7 THR D C 1 ATOM 2896 O O . THR D 1 6 ? -18.737 -17.704 -44.697 1.00 29.84 ? 7 THR D O 1 ATOM 2897 C CB . THR D 1 6 ? -19.633 -20.582 -44.267 1.00 22.65 ? 7 THR D CB 1 ATOM 2898 O OG1 . THR D 1 6 ? -20.517 -21.533 -43.670 1.00 25.10 ? 7 THR D OG1 1 ATOM 2899 C CG2 . THR D 1 6 ? -18.276 -21.238 -44.614 1.00 28.02 ? 7 THR D CG2 1 ATOM 2900 N N . GLY D 1 7 ? -17.294 -18.268 -43.073 1.00 23.59 ? 8 GLY D N 1 ATOM 2901 C CA . GLY D 1 7 ? -16.331 -17.308 -43.524 1.00 24.58 ? 8 GLY D CA 1 ATOM 2902 C C . GLY D 1 7 ? -15.398 -16.863 -42.449 1.00 23.57 ? 8 GLY D C 1 ATOM 2903 O O . GLY D 1 7 ? -15.432 -17.407 -41.319 1.00 23.05 ? 8 GLY D O 1 ATOM 2904 N N . LYS D 1 8 ? -14.549 -15.866 -42.741 1.00 23.24 ? 9 LYS D N 1 ATOM 2905 C CA . LYS D 1 8 ? -13.688 -15.321 -41.746 1.00 22.48 ? 9 LYS D CA 1 ATOM 2906 C C . LYS D 1 8 ? -14.254 -13.904 -41.478 1.00 25.51 ? 9 LYS D C 1 ATOM 2907 O O . LYS D 1 8 ? -14.497 -13.177 -42.457 1.00 24.83 ? 9 LYS D O 1 ATOM 2908 C CB . LYS D 1 8 ? -12.239 -15.272 -42.196 1.00 23.61 ? 9 LYS D CB 1 ATOM 2909 C CG . LYS D 1 8 ? -11.311 -14.627 -41.151 1.00 22.19 ? 9 LYS D CG 1 ATOM 2910 C CD . LYS D 1 8 ? -9.824 -14.907 -41.526 1.00 31.42 ? 9 LYS D CD 1 ATOM 2911 C CE . LYS D 1 8 ? -8.888 -14.514 -40.407 1.00 28.00 ? 9 LYS D CE 1 ATOM 2912 N NZ . LYS D 1 8 ? -7.486 -14.697 -40.767 1.00 34.69 ? 9 LYS D NZ 1 ATOM 2913 N N . TRP D 1 9 ? -14.352 -13.493 -40.205 1.00 22.12 ? 10 TRP D N 1 ATOM 2914 C CA . TRP D 1 9 ? -15.096 -12.227 -39.849 1.00 22.40 ? 10 TRP D CA 1 ATOM 2915 C C . TRP D 1 9 ? -14.267 -11.416 -38.967 1.00 21.09 ? 10 TRP D C 1 ATOM 2916 O O . TRP D 1 9 ? -13.406 -11.940 -38.205 1.00 22.31 ? 10 TRP D O 1 ATOM 2917 C CB . TRP D 1 9 ? -16.415 -12.616 -39.171 1.00 19.56 ? 10 TRP D CB 1 ATOM 2918 C CG . TRP D 1 9 ? -17.324 -13.447 -39.937 1.00 24.38 ? 10 TRP D CG 1 ATOM 2919 C CD1 . TRP D 1 9 ? -17.360 -14.806 -40.032 1.00 19.07 ? 10 TRP D CD1 1 ATOM 2920 C CD2 . TRP D 1 9 ? -18.347 -12.941 -40.702 1.00 21.62 ? 10 TRP D CD2 1 ATOM 2921 N NE1 . TRP D 1 9 ? -18.478 -15.190 -40.796 1.00 22.03 ? 10 TRP D NE1 1 ATOM 2922 C CE2 . TRP D 1 9 ? -19.033 -14.018 -41.275 1.00 22.87 ? 10 TRP D CE2 1 ATOM 2923 C CE3 . TRP D 1 9 ? -18.793 -11.593 -40.953 1.00 23.06 ? 10 TRP D CE3 1 ATOM 2924 C CZ2 . TRP D 1 9 ? -20.158 -13.840 -42.065 1.00 26.88 ? 10 TRP D CZ2 1 ATOM 2925 C CZ3 . TRP D 1 9 ? -19.885 -11.432 -41.752 1.00 26.41 ? 10 TRP D CZ3 1 ATOM 2926 C CH2 . TRP D 1 9 ? -20.554 -12.532 -42.322 1.00 27.63 ? 10 TRP D CH2 1 ATOM 2927 N N . THR D 1 10 ? -14.491 -10.081 -38.924 1.00 22.30 ? 11 THR D N 1 ATOM 2928 C CA . THR D 1 10 ? -13.751 -9.289 -37.940 1.00 22.27 ? 11 THR D CA 1 ATOM 2929 C C . THR D 1 10 ? -14.704 -8.235 -37.322 1.00 22.70 ? 11 THR D C 1 ATOM 2930 O O . THR D 1 10 ? -15.807 -8.039 -37.838 1.00 21.79 ? 11 THR D O 1 ATOM 2931 C CB . THR D 1 10 ? -12.557 -8.578 -38.607 1.00 23.25 ? 11 THR D CB 1 ATOM 2932 O OG1 . THR D 1 10 ? -11.679 -8.074 -37.608 1.00 24.50 ? 11 THR D OG1 1 ATOM 2933 C CG2 . THR D 1 10 ? -12.999 -7.450 -39.529 1.00 26.24 ? 11 THR D CG2 1 ATOM 2934 N N . ASN D 1 11 ? -14.305 -7.714 -36.200 1.00 23.71 ? 12 ASN D N 1 ATOM 2935 C CA . ASN D 1 11 ? -15.106 -6.632 -35.595 1.00 27.80 ? 12 ASN D CA 1 ATOM 2936 C C . ASN D 1 11 ? -14.238 -5.389 -35.397 1.00 28.59 ? 12 ASN D C 1 ATOM 2937 O O . ASN D 1 11 ? -13.092 -5.402 -35.770 1.00 29.82 ? 12 ASN D O 1 ATOM 2938 C CB . ASN D 1 11 ? -15.847 -7.083 -34.321 1.00 27.92 ? 12 ASN D CB 1 ATOM 2939 C CG . ASN D 1 11 ? -14.917 -7.380 -33.122 1.00 24.97 ? 12 ASN D CG 1 ATOM 2940 O OD1 . ASN D 1 11 ? -15.318 -8.146 -32.286 1.00 32.27 ? 12 ASN D OD1 1 ATOM 2941 N ND2 . ASN D 1 11 ? -13.726 -6.864 -33.100 1.00 26.53 ? 12 ASN D ND2 1 ATOM 2942 N N . ASP D 1 12 ? -14.793 -4.317 -34.835 1.00 34.46 ? 13 ASP D N 1 ATOM 2943 C CA . ASP D 1 12 ? -13.993 -3.057 -34.658 1.00 38.74 ? 13 ASP D CA 1 ATOM 2944 C C . ASP D 1 12 ? -12.841 -3.074 -33.689 1.00 39.72 ? 13 ASP D C 1 ATOM 2945 O O . ASP D 1 12 ? -11.877 -2.250 -33.833 1.00 40.00 ? 13 ASP D O 1 ATOM 2946 C CB . ASP D 1 12 ? -14.870 -1.852 -34.369 1.00 40.86 ? 13 ASP D CB 1 ATOM 2947 C CG . ASP D 1 12 ? -15.323 -1.126 -35.668 1.00 47.49 ? 13 ASP D CG 1 ATOM 2948 O OD1 . ASP D 1 12 ? -14.618 -1.291 -36.692 1.00 52.05 ? 13 ASP D OD1 1 ATOM 2949 O OD2 . ASP D 1 12 ? -16.401 -0.448 -35.681 1.00 48.61 ? 13 ASP D OD2 1 ATOM 2950 N N . LEU D 1 13 ? -12.895 -4.003 -32.713 1.00 40.10 ? 14 LEU D N 1 ATOM 2951 C CA . LEU D 1 13 ? -11.770 -4.258 -31.767 1.00 37.92 ? 14 LEU D CA 1 ATOM 2952 C C . LEU D 1 13 ? -10.650 -5.013 -32.434 1.00 37.90 ? 14 LEU D C 1 ATOM 2953 O O . LEU D 1 13 ? -9.533 -5.106 -31.896 1.00 37.01 ? 14 LEU D O 1 ATOM 2954 C CB . LEU D 1 13 ? -12.283 -5.109 -30.617 1.00 40.19 ? 14 LEU D CB 1 ATOM 2955 C CG . LEU D 1 13 ? -13.135 -4.356 -29.628 1.00 40.04 ? 14 LEU D CG 1 ATOM 2956 C CD1 . LEU D 1 13 ? -13.595 -5.266 -28.460 1.00 42.92 ? 14 LEU D CD1 1 ATOM 2957 C CD2 . LEU D 1 13 ? -12.316 -3.111 -29.126 1.00 42.56 ? 14 LEU D CD2 1 ATOM 2958 N N . GLY D 1 14 ? -10.938 -5.514 -33.639 1.00 34.31 ? 15 GLY D N 1 ATOM 2959 C CA . GLY D 1 14 ? -9.994 -6.255 -34.370 1.00 33.60 ? 15 GLY D CA 1 ATOM 2960 C C . GLY D 1 14 ? -9.998 -7.704 -33.892 1.00 29.56 ? 15 GLY D C 1 ATOM 2961 O O . GLY D 1 14 ? -9.073 -8.447 -34.215 1.00 30.51 ? 15 GLY D O 1 ATOM 2962 N N . SER D 1 15 ? -10.999 -8.097 -33.102 1.00 25.77 ? 16 SER D N 1 ATOM 2963 C CA . SER D 1 15 ? -11.179 -9.563 -32.908 1.00 23.36 ? 16 SER D CA 1 ATOM 2964 C C . SER D 1 15 ? -11.482 -10.256 -34.193 1.00 23.56 ? 16 SER D C 1 ATOM 2965 O O . SER D 1 15 ? -12.278 -9.751 -34.970 1.00 23.00 ? 16 SER D O 1 ATOM 2966 C CB . SER D 1 15 ? -12.362 -9.760 -31.897 1.00 24.06 ? 16 SER D CB 1 ATOM 2967 O OG . SER D 1 15 ? -11.942 -9.349 -30.617 1.00 22.40 ? 16 SER D OG 1 ATOM 2968 N N . ASN D 1 16 ? -11.047 -11.524 -34.414 1.00 21.36 ? 17 ASN D N 1 ATOM 2969 C CA . ASN D 1 16 ? -11.532 -12.252 -35.625 1.00 22.86 ? 17 ASN D CA 1 ATOM 2970 C C . ASN D 1 16 ? -12.154 -13.562 -35.267 1.00 20.41 ? 17 ASN D C 1 ATOM 2971 O O . ASN D 1 16 ? -11.902 -14.138 -34.186 1.00 22.61 ? 17 ASN D O 1 ATOM 2972 C CB . ASN D 1 16 ? -10.368 -12.690 -36.554 1.00 22.80 ? 17 ASN D CB 1 ATOM 2973 C CG . ASN D 1 16 ? -9.534 -11.514 -36.967 1.00 28.88 ? 17 ASN D CG 1 ATOM 2974 O OD1 . ASN D 1 16 ? -10.052 -10.389 -37.189 1.00 28.38 ? 17 ASN D OD1 1 ATOM 2975 N ND2 . ASN D 1 16 ? -8.211 -11.734 -36.968 1.00 30.09 ? 17 ASN D ND2 1 ATOM 2976 N N . MET D 1 17 ? -13.007 -14.005 -36.136 1.00 21.44 ? 18 MET D N 1 ATOM 2977 C CA . MET D 1 17 ? -13.632 -15.289 -35.980 1.00 23.59 ? 18 MET D CA 1 ATOM 2978 C C . MET D 1 17 ? -13.692 -16.029 -37.327 1.00 24.89 ? 18 MET D C 1 ATOM 2979 O O . MET D 1 17 ? -13.852 -15.392 -38.360 1.00 25.47 ? 18 MET D O 1 ATOM 2980 C CB . MET D 1 17 ? -15.044 -14.990 -35.425 1.00 24.83 ? 18 MET D CB 1 ATOM 2981 C CG . MET D 1 17 ? -16.118 -15.823 -35.830 1.00 29.09 ? 18 MET D CG 1 ATOM 2982 S SD . MET D 1 17 ? -17.640 -15.488 -34.892 1.00 23.59 ? 18 MET D SD 1 ATOM 2983 C CE . MET D 1 17 ? -18.538 -14.508 -36.144 1.00 23.04 ? 18 MET D CE 1 ATOM 2984 N N . THR D 1 18 ? -13.596 -17.371 -37.314 1.00 22.51 ? 19 THR D N 1 ATOM 2985 C CA . THR D 1 18 ? -13.930 -18.176 -38.463 1.00 20.50 ? 19 THR D CA 1 ATOM 2986 C C . THR D 1 18 ? -15.079 -19.043 -38.119 1.00 20.69 ? 19 THR D C 1 ATOM 2987 O O . THR D 1 18 ? -15.197 -19.444 -36.950 1.00 21.84 ? 19 THR D O 1 ATOM 2988 C CB . THR D 1 18 ? -12.673 -19.094 -38.913 1.00 21.36 ? 19 THR D CB 1 ATOM 2989 O OG1 . THR D 1 18 ? -12.345 -19.999 -37.836 1.00 22.34 ? 19 THR D OG1 1 ATOM 2990 C CG2 . THR D 1 18 ? -11.434 -18.211 -39.095 1.00 23.09 ? 19 THR D CG2 1 ATOM 2991 N N . ILE D 1 19 ? -15.962 -19.302 -39.077 1.00 18.15 ? 20 ILE D N 1 ATOM 2992 C CA . ILE D 1 19 ? -17.025 -20.261 -38.944 1.00 21.07 ? 20 ILE D CA 1 ATOM 2993 C C . ILE D 1 19 ? -16.916 -21.130 -40.209 1.00 22.11 ? 20 ILE D C 1 ATOM 2994 O O . ILE D 1 19 ? -16.792 -20.593 -41.336 1.00 21.02 ? 20 ILE D O 1 ATOM 2995 C CB . ILE D 1 19 ? -18.432 -19.499 -38.907 1.00 22.42 ? 20 ILE D CB 1 ATOM 2996 C CG1 . ILE D 1 19 ? -18.528 -18.634 -37.581 1.00 23.38 ? 20 ILE D CG1 1 ATOM 2997 C CG2 . ILE D 1 19 ? -19.669 -20.407 -39.067 1.00 22.12 ? 20 ILE D CG2 1 ATOM 2998 C CD1 . ILE D 1 19 ? -19.817 -17.695 -37.483 1.00 24.96 ? 20 ILE D CD1 1 ATOM 2999 N N . GLY D 1 20 ? -16.990 -22.442 -40.041 1.00 22.93 ? 21 GLY D N 1 ATOM 3000 C CA . GLY D 1 20 ? -16.950 -23.323 -41.196 1.00 23.83 ? 21 GLY D CA 1 ATOM 3001 C C . GLY D 1 20 ? -18.330 -23.575 -41.770 1.00 24.03 ? 21 GLY D C 1 ATOM 3002 O O . GLY D 1 20 ? -19.279 -22.834 -41.566 1.00 24.31 ? 21 GLY D O 1 ATOM 3003 N N . ALA D 1 21 ? -18.448 -24.622 -42.596 1.00 23.75 ? 22 ALA D N 1 ATOM 3004 C CA . ALA D 1 21 ? -19.728 -25.010 -43.143 1.00 24.13 ? 22 ALA D CA 1 ATOM 3005 C C . ALA D 1 21 ? -20.818 -25.210 -42.091 1.00 25.05 ? 22 ALA D C 1 ATOM 3006 O O . ALA D 1 21 ? -20.600 -25.774 -41.020 1.00 24.22 ? 22 ALA D O 1 ATOM 3007 C CB . ALA D 1 21 ? -19.505 -26.378 -43.938 1.00 24.14 ? 22 ALA D CB 1 ATOM 3008 N N . VAL D 1 22 ? -22.043 -24.856 -42.471 1.00 26.13 ? 23 VAL D N 1 ATOM 3009 C CA . VAL D 1 22 ? -23.218 -25.100 -41.720 1.00 26.46 ? 23 VAL D CA 1 ATOM 3010 C C . VAL D 1 22 ? -23.910 -26.377 -42.214 1.00 29.56 ? 23 VAL D C 1 ATOM 3011 O O . VAL D 1 22 ? -24.258 -26.408 -43.430 1.00 30.53 ? 23 VAL D O 1 ATOM 3012 C CB . VAL D 1 22 ? -24.144 -23.826 -41.754 1.00 27.01 ? 23 VAL D CB 1 ATOM 3013 C CG1 . VAL D 1 22 ? -25.451 -24.036 -41.008 1.00 26.06 ? 23 VAL D CG1 1 ATOM 3014 C CG2 . VAL D 1 22 ? -23.461 -22.639 -41.293 1.00 26.45 ? 23 VAL D CG2 1 ATOM 3015 N N . ASN D 1 23 ? -24.143 -27.350 -41.323 1.00 29.74 ? 24 ASN D N 1 ATOM 3016 C CA . ASN D 1 23 ? -25.018 -28.545 -41.457 1.00 35.57 ? 24 ASN D CA 1 ATOM 3017 C C . ASN D 1 23 ? -26.390 -28.409 -41.969 1.00 37.74 ? 24 ASN D C 1 ATOM 3018 O O . ASN D 1 23 ? -26.950 -27.350 -41.947 1.00 37.66 ? 24 ASN D O 1 ATOM 3019 C CB . ASN D 1 23 ? -25.330 -29.135 -40.074 1.00 38.82 ? 24 ASN D CB 1 ATOM 3020 C CG . ASN D 1 23 ? -24.343 -30.014 -39.691 1.00 38.93 ? 24 ASN D CG 1 ATOM 3021 O OD1 . ASN D 1 23 ? -24.354 -30.659 -38.671 1.00 38.54 ? 24 ASN D OD1 1 ATOM 3022 N ND2 . ASN D 1 23 ? -23.383 -30.053 -40.541 1.00 45.99 ? 24 ASN D ND2 1 ATOM 3023 N N . SER D 1 24 ? -26.982 -29.547 -42.317 1.00 39.69 ? 25 SER D N 1 ATOM 3024 C CA . SER D 1 24 ? -28.363 -29.500 -42.759 1.00 41.12 ? 25 SER D CA 1 ATOM 3025 C C . SER D 1 24 ? -29.224 -29.282 -41.479 1.00 42.11 ? 25 SER D C 1 ATOM 3026 O O . SER D 1 24 ? -30.327 -28.679 -41.570 1.00 43.05 ? 25 SER D O 1 ATOM 3027 C CB . SER D 1 24 ? -28.731 -30.801 -43.495 1.00 41.25 ? 25 SER D CB 1 ATOM 3028 O OG . SER D 1 24 ? -28.748 -31.866 -42.549 1.00 42.99 ? 25 SER D OG 1 ATOM 3029 N N . ARG D 1 25 ? -28.663 -29.693 -40.313 1.00 40.40 ? 26 ARG D N 1 ATOM 3030 C CA . ARG D 1 25 ? -29.182 -29.363 -38.961 1.00 38.37 ? 26 ARG D CA 1 ATOM 3031 C C . ARG D 1 25 ? -28.920 -27.926 -38.457 1.00 35.10 ? 26 ARG D C 1 ATOM 3032 O O . ARG D 1 25 ? -29.476 -27.561 -37.411 1.00 35.86 ? 26 ARG D O 1 ATOM 3033 C CB . ARG D 1 25 ? -28.701 -30.367 -37.892 1.00 39.20 ? 26 ARG D CB 1 ATOM 3034 C CG . ARG D 1 25 ? -29.263 -31.788 -37.973 1.00 46.44 ? 26 ARG D CG 1 ATOM 3035 C CD . ARG D 1 25 ? -28.144 -32.717 -38.422 1.00 58.60 ? 26 ARG D CD 1 ATOM 3036 N NE . ARG D 1 25 ? -27.165 -33.083 -37.380 1.00 63.14 ? 26 ARG D NE 1 ATOM 3037 C CZ . ARG D 1 25 ? -25.933 -33.553 -37.652 1.00 65.45 ? 26 ARG D CZ 1 ATOM 3038 N NH1 . ARG D 1 25 ? -25.099 -33.874 -36.669 1.00 67.17 ? 26 ARG D NH1 1 ATOM 3039 N NH2 . ARG D 1 25 ? -25.515 -33.690 -38.913 1.00 64.03 ? 26 ARG D NH2 1 ATOM 3040 N N . GLY D 1 26 ? -28.139 -27.114 -39.186 1.00 30.36 ? 27 GLY D N 1 ATOM 3041 C CA . GLY D 1 26 ? -27.863 -25.686 -38.893 1.00 29.41 ? 27 GLY D CA 1 ATOM 3042 C C . GLY D 1 26 ? -26.642 -25.597 -37.925 1.00 27.36 ? 27 GLY D C 1 ATOM 3043 O O . GLY D 1 26 ? -26.294 -24.481 -37.528 1.00 25.44 ? 27 GLY D O 1 ATOM 3044 N N . GLU D 1 27 ? -26.016 -26.741 -37.588 1.00 26.25 ? 28 GLU D N 1 ATOM 3045 C CA . GLU D 1 27 ? -24.792 -26.682 -36.691 1.00 26.29 ? 28 GLU D CA 1 ATOM 3046 C C . GLU D 1 27 ? -23.544 -26.173 -37.448 1.00 25.14 ? 28 GLU D C 1 ATOM 3047 O O . GLU D 1 27 ? -23.322 -26.451 -38.667 1.00 24.44 ? 28 GLU D O 1 ATOM 3048 C CB . GLU D 1 27 ? -24.484 -28.055 -36.033 1.00 27.44 ? 28 GLU D CB 1 ATOM 3049 C CG . GLU D 1 27 ? -25.707 -28.653 -35.353 1.00 31.62 ? 28 GLU D CG 1 ATOM 3050 C CD . GLU D 1 27 ? -25.645 -30.177 -35.164 1.00 42.18 ? 28 GLU D CD 1 ATOM 3051 O OE1 . GLU D 1 27 ? -26.334 -30.734 -34.283 1.00 46.65 ? 28 GLU D OE1 1 ATOM 3052 O OE2 . GLU D 1 27 ? -24.967 -30.854 -35.920 1.00 46.11 ? 28 GLU D OE2 1 ATOM 3053 N N . PHE D 1 28 ? -22.705 -25.464 -36.717 1.00 22.02 ? 29 PHE D N 1 ATOM 3054 C CA . PHE D 1 28 ? -21.422 -25.042 -37.181 1.00 22.11 ? 29 PHE D CA 1 ATOM 3055 C C . PHE D 1 28 ? -20.437 -25.008 -36.045 1.00 20.67 ? 29 PHE D C 1 ATOM 3056 O O . PHE D 1 28 ? -20.828 -24.969 -34.857 1.00 21.25 ? 29 PHE D O 1 ATOM 3057 C CB . PHE D 1 28 ? -21.363 -23.669 -37.893 1.00 21.45 ? 29 PHE D CB 1 ATOM 3058 C CG . PHE D 1 28 ? -21.966 -22.534 -37.009 1.00 20.41 ? 29 PHE D CG 1 ATOM 3059 C CD1 . PHE D 1 28 ? -23.318 -22.199 -37.132 1.00 19.30 ? 29 PHE D CD1 1 ATOM 3060 C CD2 . PHE D 1 28 ? -21.181 -21.843 -36.134 1.00 22.96 ? 29 PHE D CD2 1 ATOM 3061 C CE1 . PHE D 1 28 ? -23.903 -21.173 -36.341 1.00 18.72 ? 29 PHE D CE1 1 ATOM 3062 C CE2 . PHE D 1 28 ? -21.704 -20.802 -35.359 1.00 22.12 ? 29 PHE D CE2 1 ATOM 3063 C CZ . PHE D 1 28 ? -23.102 -20.436 -35.496 1.00 20.25 ? 29 PHE D CZ 1 ATOM 3064 N N . THR D 1 29 ? -19.186 -25.044 -36.467 1.00 19.09 ? 30 THR D N 1 ATOM 3065 C CA . THR D 1 29 ? -18.038 -24.929 -35.533 1.00 19.88 ? 30 THR D CA 1 ATOM 3066 C C . THR D 1 29 ? -17.255 -23.744 -35.979 1.00 19.35 ? 30 THR D C 1 ATOM 3067 O O . THR D 1 29 ? -17.280 -23.396 -37.170 1.00 23.23 ? 30 THR D O 1 ATOM 3068 C CB . THR D 1 29 ? -17.223 -26.239 -35.556 1.00 23.21 ? 30 THR D CB 1 ATOM 3069 O OG1 . THR D 1 29 ? -18.049 -27.280 -34.986 1.00 27.44 ? 30 THR D OG1 1 ATOM 3070 C CG2 . THR D 1 29 ? -16.063 -26.123 -34.516 1.00 28.24 ? 30 THR D CG2 1 ATOM 3071 N N . GLY D 1 30 ? -16.391 -23.178 -35.108 1.00 17.38 ? 31 GLY D N 1 ATOM 3072 C CA . GLY D 1 30 ? -15.603 -22.063 -35.569 1.00 18.89 ? 31 GLY D CA 1 ATOM 3073 C C . GLY D 1 30 ? -14.478 -21.812 -34.612 1.00 16.80 ? 31 GLY D C 1 ATOM 3074 O O . GLY D 1 30 ? -14.226 -22.679 -33.708 1.00 18.05 ? 31 GLY D O 1 ATOM 3075 N N . THR D 1 31 ? -13.787 -20.702 -34.820 1.00 17.41 ? 32 THR D N 1 ATOM 3076 C CA . THR D 1 31 ? -12.700 -20.271 -33.871 1.00 19.15 ? 32 THR D CA 1 ATOM 3077 C C . THR D 1 31 ? -12.885 -18.800 -33.576 1.00 19.13 ? 32 THR D C 1 ATOM 3078 O O . THR D 1 31 ? -13.400 -18.056 -34.447 1.00 18.93 ? 32 THR D O 1 ATOM 3079 C CB . THR D 1 31 ? -11.270 -20.465 -34.433 1.00 19.62 ? 32 THR D CB 1 ATOM 3080 O OG1 . THR D 1 31 ? -11.051 -19.537 -35.513 1.00 21.48 ? 32 THR D OG1 1 ATOM 3081 C CG2 . THR D 1 31 ? -11.098 -21.920 -34.929 1.00 20.83 ? 32 THR D CG2 1 ATOM 3082 N N . TYR D 1 32 ? -12.355 -18.349 -32.461 1.00 16.84 ? 33 TYR D N 1 ATOM 3083 C CA . TYR D 1 32 ? -12.425 -16.879 -32.097 1.00 17.31 ? 33 TYR D CA 1 ATOM 3084 C C . TYR D 1 32 ? -11.099 -16.513 -31.534 1.00 18.89 ? 33 TYR D C 1 ATOM 3085 O O . TYR D 1 32 ? -10.591 -17.126 -30.560 1.00 21.95 ? 33 TYR D O 1 ATOM 3086 C CB . TYR D 1 32 ? -13.537 -16.689 -31.039 1.00 16.84 ? 33 TYR D CB 1 ATOM 3087 C CG . TYR D 1 32 ? -14.088 -15.280 -30.965 1.00 16.76 ? 33 TYR D CG 1 ATOM 3088 C CD1 . TYR D 1 32 ? -15.303 -14.997 -31.519 1.00 17.49 ? 33 TYR D CD1 1 ATOM 3089 C CD2 . TYR D 1 32 ? -13.356 -14.286 -30.351 1.00 17.45 ? 33 TYR D CD2 1 ATOM 3090 C CE1 . TYR D 1 32 ? -15.821 -13.626 -31.483 1.00 16.14 ? 33 TYR D CE1 1 ATOM 3091 C CE2 . TYR D 1 32 ? -13.851 -12.922 -30.263 1.00 20.80 ? 33 TYR D CE2 1 ATOM 3092 C CZ . TYR D 1 32 ? -15.101 -12.692 -30.846 1.00 19.53 ? 33 TYR D CZ 1 ATOM 3093 O OH . TYR D 1 32 ? -15.552 -11.387 -30.765 1.00 21.53 ? 33 TYR D OH 1 ATOM 3094 N N . ILE D 1 33 ? -10.524 -15.445 -32.091 1.00 20.88 ? 34 ILE D N 1 ATOM 3095 C CA . ILE D 1 33 ? -9.398 -14.886 -31.484 1.00 20.76 ? 34 ILE D CA 1 ATOM 3096 C C . ILE D 1 33 ? -9.652 -13.446 -31.070 1.00 20.83 ? 34 ILE D C 1 ATOM 3097 O O . ILE D 1 33 ? -9.838 -12.511 -31.895 1.00 20.97 ? 34 ILE D O 1 ATOM 3098 C CB . ILE D 1 33 ? -8.113 -15.050 -32.492 1.00 24.71 ? 34 ILE D CB 1 ATOM 3099 C CG1 . ILE D 1 33 ? -6.904 -14.312 -31.917 1.00 26.09 ? 34 ILE D CG1 1 ATOM 3100 C CG2 . ILE D 1 33 ? -8.460 -14.585 -33.936 1.00 32.46 ? 34 ILE D CG2 1 ATOM 3101 C CD1 . ILE D 1 33 ? -6.333 -14.995 -30.631 1.00 31.27 ? 34 ILE D CD1 1 ATOM 3102 N N . THR D 1 34 ? -9.829 -13.298 -29.801 1.00 18.61 ? 35 THR D N 1 ATOM 3103 C CA . THR D 1 34 ? -10.240 -11.978 -29.307 1.00 20.48 ? 35 THR D CA 1 ATOM 3104 C C . THR D 1 34 ? -9.037 -11.057 -29.214 1.00 20.51 ? 35 THR D C 1 ATOM 3105 O O . THR D 1 34 ? -7.877 -11.479 -28.835 1.00 22.91 ? 35 THR D O 1 ATOM 3106 C CB . THR D 1 34 ? -10.950 -12.100 -27.975 1.00 19.70 ? 35 THR D CB 1 ATOM 3107 O OG1 . THR D 1 34 ? -11.332 -10.801 -27.429 1.00 18.32 ? 35 THR D OG1 1 ATOM 3108 C CG2 . THR D 1 34 ? -9.984 -12.669 -26.892 1.00 21.01 ? 35 THR D CG2 1 ATOM 3109 N N . ALA D 1 35 ? -9.327 -9.758 -29.432 1.00 22.64 ? 36 ALA D N 1 ATOM 3110 C CA . ALA D 1 35 ? -8.338 -8.681 -29.254 1.00 23.71 ? 36 ALA D CA 1 ATOM 3111 C C . ALA D 1 35 ? -8.230 -8.201 -27.821 1.00 24.72 ? 36 ALA D C 1 ATOM 3112 O O . ALA D 1 35 ? -7.237 -7.542 -27.422 1.00 25.78 ? 36 ALA D O 1 ATOM 3113 C CB . ALA D 1 35 ? -8.641 -7.480 -30.253 1.00 23.58 ? 36 ALA D CB 1 ATOM 3114 N N . VAL D 1 36 ? -9.222 -8.530 -27.001 1.00 22.67 ? 37 VAL D N 1 ATOM 3115 C CA . VAL D 1 36 ? -9.372 -7.935 -25.659 1.00 23.16 ? 37 VAL D CA 1 ATOM 3116 C C . VAL D 1 36 ? -9.782 -9.032 -24.688 1.00 23.62 ? 37 VAL D C 1 ATOM 3117 O O . VAL D 1 36 ? -10.314 -10.073 -25.123 1.00 22.34 ? 37 VAL D O 1 ATOM 3118 C CB . VAL D 1 36 ? -10.497 -6.835 -25.664 1.00 22.45 ? 37 VAL D CB 1 ATOM 3119 C CG1 . VAL D 1 36 ? -10.005 -5.565 -26.538 1.00 24.78 ? 37 VAL D CG1 1 ATOM 3120 C CG2 . VAL D 1 36 ? -11.827 -7.397 -26.153 1.00 25.79 ? 37 VAL D CG2 1 ATOM 3121 N N . THR D 1 37 ? -9.460 -8.829 -23.431 1.00 24.66 ? 38 THR D N 1 ATOM 3122 C CA . THR D 1 37 ? -9.859 -9.787 -22.423 1.00 26.41 ? 38 THR D CA 1 ATOM 3123 C C . THR D 1 37 ? -10.121 -9.022 -21.169 1.00 28.95 ? 38 THR D C 1 ATOM 3124 O O . THR D 1 37 ? -9.582 -7.885 -21.005 1.00 30.15 ? 38 THR D O 1 ATOM 3125 C CB . THR D 1 37 ? -8.813 -10.964 -22.225 1.00 25.45 ? 38 THR D CB 1 ATOM 3126 O OG1 . THR D 1 37 ? -9.280 -11.796 -21.153 1.00 30.17 ? 38 THR D OG1 1 ATOM 3127 C CG2 . THR D 1 37 ? -7.407 -10.380 -21.799 1.00 25.89 ? 38 THR D CG2 1 ATOM 3128 N N . ALA D 1 38 ? -10.968 -9.586 -20.307 1.00 25.47 ? 39 ALA D N 1 ATOM 3129 C CA . ALA D 1 38 ? -11.206 -9.013 -19.000 1.00 29.45 ? 39 ALA D CA 1 ATOM 3130 C C . ALA D 1 38 ? -10.161 -9.684 -18.065 1.00 32.91 ? 39 ALA D C 1 ATOM 3131 O O . ALA D 1 38 ? -10.021 -9.260 -16.923 1.00 34.98 ? 39 ALA D O 1 ATOM 3132 C CB . ALA D 1 38 ? -12.701 -9.326 -18.508 1.00 29.52 ? 39 ALA D CB 1 ATOM 3133 N N . THR D 1 39 ? -9.419 -10.708 -18.527 1.00 33.06 ? 40 THR D N 1 ATOM 3134 C CA . THR D 1 39 ? -8.437 -11.402 -17.588 1.00 34.07 ? 40 THR D CA 1 ATOM 3135 C C . THR D 1 39 ? -7.081 -10.758 -17.664 1.00 36.12 ? 40 THR D C 1 ATOM 3136 O O . THR D 1 39 ? -6.850 -9.907 -18.483 1.00 35.24 ? 40 THR D O 1 ATOM 3137 C CB . THR D 1 39 ? -8.191 -12.911 -17.891 1.00 34.33 ? 40 THR D CB 1 ATOM 3138 O OG1 . THR D 1 39 ? -7.546 -13.059 -19.173 1.00 35.16 ? 40 THR D OG1 1 ATOM 3139 C CG2 . THR D 1 39 ? -9.477 -13.661 -17.883 1.00 34.20 ? 40 THR D CG2 1 ATOM 3140 N N . SER D 1 40 ? -6.159 -11.219 -16.834 1.00 38.42 ? 41 SER D N 1 ATOM 3141 C CA . SER D 1 40 ? -4.757 -10.827 -17.051 1.00 41.40 ? 41 SER D CA 1 ATOM 3142 C C . SER D 1 40 ? -3.948 -11.933 -17.704 1.00 41.13 ? 41 SER D C 1 ATOM 3143 O O . SER D 1 40 ? -2.761 -11.793 -17.853 1.00 42.32 ? 41 SER D O 1 ATOM 3144 C CB . SER D 1 40 ? -4.098 -10.241 -15.755 1.00 41.40 ? 41 SER D CB 1 ATOM 3145 O OG . SER D 1 40 ? -4.165 -11.189 -14.720 1.00 46.61 ? 41 SER D OG 1 ATOM 3146 N N . ASN D 1 41 ? -4.598 -12.984 -18.181 1.00 39.46 ? 42 ASN D N 1 ATOM 3147 C CA . ASN D 1 41 ? -3.921 -14.107 -18.912 1.00 39.96 ? 42 ASN D CA 1 ATOM 3148 C C . ASN D 1 41 ? -3.543 -13.830 -20.396 1.00 38.63 ? 42 ASN D C 1 ATOM 3149 O O . ASN D 1 41 ? -4.125 -12.955 -21.038 1.00 38.64 ? 42 ASN D O 1 ATOM 3150 C CB . ASN D 1 41 ? -4.822 -15.343 -18.829 1.00 38.94 ? 42 ASN D CB 1 ATOM 3151 C CG . ASN D 1 41 ? -5.098 -15.772 -17.374 1.00 43.41 ? 42 ASN D CG 1 ATOM 3152 O OD1 . ASN D 1 41 ? -4.208 -15.625 -16.488 1.00 41.90 ? 42 ASN D OD1 1 ATOM 3153 N ND2 . ASN D 1 41 ? -6.321 -16.283 -17.108 1.00 37.85 ? 42 ASN D ND2 1 ATOM 3154 N N . GLU D 1 42 ? -2.593 -14.583 -20.965 1.00 35.69 ? 43 GLU D N 1 ATOM 3155 C CA . GLU D 1 42 ? -2.383 -14.452 -22.405 1.00 34.10 ? 43 GLU D CA 1 ATOM 3156 C C . GLU D 1 42 ? -3.544 -14.998 -23.251 1.00 30.58 ? 43 GLU D C 1 ATOM 3157 O O . GLU D 1 42 ? -3.933 -16.143 -23.099 1.00 28.69 ? 43 GLU D O 1 ATOM 3158 C CB . GLU D 1 42 ? -1.127 -15.221 -22.843 1.00 35.95 ? 43 GLU D CB 1 ATOM 3159 C CG . GLU D 1 42 ? 0.066 -14.837 -21.958 1.00 46.32 ? 43 GLU D CG 1 ATOM 3160 C CD . GLU D 1 42 ? 1.278 -15.833 -22.152 1.00 57.15 ? 43 GLU D CD 1 ATOM 3161 O OE1 . GLU D 1 42 ? 1.805 -15.834 -23.298 1.00 60.60 ? 43 GLU D OE1 1 ATOM 3162 O OE2 . GLU D 1 42 ? 1.651 -16.616 -21.205 1.00 57.69 ? 43 GLU D OE2 1 ATOM 3163 N N . ILE D 1 43 ? -3.969 -14.214 -24.233 1.00 27.63 ? 44 ILE D N 1 ATOM 3164 C CA . ILE D 1 43 ? -5.119 -14.635 -25.083 1.00 26.06 ? 44 ILE D CA 1 ATOM 3165 C C . ILE D 1 43 ? -4.693 -15.836 -25.918 1.00 25.80 ? 44 ILE D C 1 ATOM 3166 O O . ILE D 1 43 ? -3.530 -15.857 -26.410 1.00 28.42 ? 44 ILE D O 1 ATOM 3167 C CB . ILE D 1 43 ? -5.549 -13.492 -25.934 1.00 25.95 ? 44 ILE D CB 1 ATOM 3168 C CG1 . ILE D 1 43 ? -6.225 -12.429 -25.063 1.00 26.47 ? 44 ILE D CG1 1 ATOM 3169 C CG2 . ILE D 1 43 ? -6.344 -14.028 -27.193 1.00 26.91 ? 44 ILE D CG2 1 ATOM 3170 C CD1 . ILE D 1 43 ? -6.429 -11.054 -25.807 1.00 27.76 ? 44 ILE D CD1 1 ATOM 3171 N N . LYS D 1 44 ? -5.564 -16.833 -26.113 1.00 23.47 ? 45 LYS D N 1 ATOM 3172 C CA . LYS D 1 44 ? -5.331 -17.913 -27.077 1.00 23.21 ? 45 LYS D CA 1 ATOM 3173 C C . LYS D 1 44 ? -6.572 -18.053 -27.915 1.00 23.58 ? 45 LYS D C 1 ATOM 3174 O O . LYS D 1 44 ? -7.690 -17.854 -27.375 1.00 21.05 ? 45 LYS D O 1 ATOM 3175 C CB . LYS D 1 44 ? -5.092 -19.271 -26.386 1.00 24.51 ? 45 LYS D CB 1 ATOM 3176 C CG . LYS D 1 44 ? -3.947 -19.310 -25.229 1.00 31.30 ? 45 LYS D CG 1 ATOM 3177 C CD . LYS D 1 44 ? -4.166 -20.579 -24.324 1.00 36.82 ? 45 LYS D CD 1 ATOM 3178 C CE . LYS D 1 44 ? -4.192 -21.876 -25.148 1.00 45.91 ? 45 LYS D CE 1 ATOM 3179 N NZ . LYS D 1 44 ? -4.395 -23.103 -24.301 1.00 52.69 ? 45 LYS D NZ 1 ATOM 3180 N N . GLU D 1 45 ? -6.370 -18.474 -29.158 1.00 23.37 ? 46 GLU D N 1 ATOM 3181 C CA . GLU D 1 45 ? -7.451 -18.771 -30.081 1.00 22.23 ? 46 GLU D CA 1 ATOM 3182 C C . GLU D 1 45 ? -8.344 -19.798 -29.385 1.00 23.97 ? 46 GLU D C 1 ATOM 3183 O O . GLU D 1 45 ? -7.815 -20.758 -28.779 1.00 23.61 ? 46 GLU D O 1 ATOM 3184 C CB . GLU D 1 45 ? -6.905 -19.409 -31.381 1.00 23.87 ? 46 GLU D CB 1 ATOM 3185 C CG . GLU D 1 45 ? -7.962 -19.395 -32.490 1.00 23.21 ? 46 GLU D CG 1 ATOM 3186 C CD . GLU D 1 45 ? -7.421 -19.825 -33.805 1.00 33.46 ? 46 GLU D CD 1 ATOM 3187 O OE1 . GLU D 1 45 ? -7.220 -21.030 -33.901 1.00 33.56 ? 46 GLU D OE1 1 ATOM 3188 O OE2 . GLU D 1 45 ? -7.362 -18.938 -34.713 1.00 38.32 ? 46 GLU D OE2 1 ATOM 3189 N N . SER D 1 46 ? -9.678 -19.635 -29.447 1.00 20.30 ? 47 SER D N 1 ATOM 3190 C CA . SER D 1 46 ? -10.609 -20.555 -28.761 1.00 18.26 ? 47 SER D CA 1 ATOM 3191 C C . SER D 1 46 ? -11.657 -21.051 -29.665 1.00 19.47 ? 47 SER D C 1 ATOM 3192 O O . SER D 1 46 ? -12.032 -20.387 -30.607 1.00 21.61 ? 47 SER D O 1 ATOM 3193 C CB . SER D 1 46 ? -11.270 -19.787 -27.572 1.00 17.66 ? 47 SER D CB 1 ATOM 3194 O OG . SER D 1 46 ? -10.240 -19.336 -26.606 1.00 19.91 ? 47 SER D OG 1 ATOM 3195 N N . PRO D 1 47 ? -12.236 -22.241 -29.359 1.00 18.87 ? 48 PRO D N 1 ATOM 3196 C CA . PRO D 1 47 ? -13.201 -22.750 -30.310 1.00 19.06 ? 48 PRO D CA 1 ATOM 3197 C C . PRO D 1 47 ? -14.576 -22.148 -30.032 1.00 18.62 ? 48 PRO D C 1 ATOM 3198 O O . PRO D 1 47 ? -14.853 -21.731 -28.881 1.00 17.21 ? 48 PRO D O 1 ATOM 3199 C CB . PRO D 1 47 ? -13.271 -24.220 -29.988 1.00 22.24 ? 48 PRO D CB 1 ATOM 3200 C CG . PRO D 1 47 ? -12.864 -24.360 -28.521 1.00 21.93 ? 48 PRO D CG 1 ATOM 3201 C CD . PRO D 1 47 ? -11.885 -23.217 -28.289 1.00 19.21 ? 48 PRO D CD 1 ATOM 3202 N N . LEU D 1 48 ? -15.428 -22.246 -31.029 1.00 17.55 ? 49 LEU D N 1 ATOM 3203 C CA . LEU D 1 48 ? -16.905 -21.929 -30.816 1.00 16.58 ? 49 LEU D CA 1 ATOM 3204 C C . LEU D 1 48 ? -17.786 -22.934 -31.515 1.00 17.11 ? 49 LEU D C 1 ATOM 3205 O O . LEU D 1 48 ? -17.331 -23.622 -32.471 1.00 18.99 ? 49 LEU D O 1 ATOM 3206 C CB . LEU D 1 48 ? -17.136 -20.472 -31.329 1.00 16.93 ? 49 LEU D CB 1 ATOM 3207 C CG . LEU D 1 48 ? -17.038 -20.242 -32.892 1.00 17.29 ? 49 LEU D CG 1 ATOM 3208 C CD1 . LEU D 1 48 ? -18.467 -20.614 -33.499 1.00 17.49 ? 49 LEU D CD1 1 ATOM 3209 C CD2 . LEU D 1 48 ? -16.672 -18.860 -33.122 1.00 16.42 ? 49 LEU D CD2 1 ATOM 3210 N N . HIS D 1 49 ? -19.018 -23.091 -31.040 1.00 15.27 ? 50 HIS D N 1 ATOM 3211 C CA . HIS D 1 49 ? -19.964 -24.043 -31.571 1.00 16.67 ? 50 HIS D CA 1 ATOM 3212 C C . HIS D 1 49 ? -21.320 -23.299 -31.470 1.00 17.62 ? 50 HIS D C 1 ATOM 3213 O O . HIS D 1 49 ? -21.652 -22.664 -30.447 1.00 16.07 ? 50 HIS D O 1 ATOM 3214 C CB . HIS D 1 49 ? -19.999 -25.254 -30.682 1.00 16.83 ? 50 HIS D CB 1 ATOM 3215 C CG . HIS D 1 49 ? -18.623 -25.918 -30.595 1.00 19.39 ? 50 HIS D CG 1 ATOM 3216 N ND1 . HIS D 1 49 ? -17.714 -25.627 -29.593 1.00 27.24 ? 50 HIS D ND1 1 ATOM 3217 C CD2 . HIS D 1 49 ? -18.026 -26.833 -31.409 1.00 27.00 ? 50 HIS D CD2 1 ATOM 3218 C CE1 . HIS D 1 49 ? -16.607 -26.355 -29.802 1.00 23.77 ? 50 HIS D CE1 1 ATOM 3219 N NE2 . HIS D 1 49 ? -16.782 -27.102 -30.879 1.00 25.60 ? 50 HIS D NE2 1 ATOM 3220 N N . GLY D 1 50 ? -22.130 -23.459 -32.506 1.00 17.93 ? 51 GLY D N 1 ATOM 3221 C CA . GLY D 1 50 ? -23.487 -22.836 -32.400 1.00 18.23 ? 51 GLY D CA 1 ATOM 3222 C C . GLY D 1 50 ? -24.366 -23.387 -33.533 1.00 18.91 ? 51 GLY D C 1 ATOM 3223 O O . GLY D 1 50 ? -24.019 -24.431 -34.215 1.00 19.89 ? 51 GLY D O 1 ATOM 3224 N N . THR D 1 51 ? -25.517 -22.709 -33.730 1.00 19.22 ? 52 THR D N 1 ATOM 3225 C CA . THR D 1 51 ? -26.462 -23.161 -34.773 1.00 19.44 ? 52 THR D CA 1 ATOM 3226 C C . THR D 1 51 ? -27.026 -21.926 -35.423 1.00 21.25 ? 52 THR D C 1 ATOM 3227 O O . THR D 1 51 ? -27.171 -20.859 -34.783 1.00 18.78 ? 52 THR D O 1 ATOM 3228 C CB . THR D 1 51 ? -27.663 -23.989 -34.217 1.00 20.74 ? 52 THR D CB 1 ATOM 3229 O OG1 . THR D 1 51 ? -28.224 -23.396 -33.010 1.00 23.75 ? 52 THR D OG1 1 ATOM 3230 C CG2 . THR D 1 51 ? -27.281 -25.420 -33.799 1.00 22.34 ? 52 THR D CG2 1 ATOM 3231 N N . GLN D 1 52 ? -27.403 -22.091 -36.664 1.00 20.45 ? 53 GLN D N 1 ATOM 3232 C CA . GLN D 1 52 ? -28.228 -21.098 -37.368 1.00 22.01 ? 53 GLN D CA 1 ATOM 3233 C C . GLN D 1 52 ? -29.674 -21.644 -37.428 1.00 22.66 ? 53 GLN D C 1 ATOM 3234 O O . GLN D 1 52 ? -29.911 -22.822 -37.597 1.00 23.10 ? 53 GLN D O 1 ATOM 3235 C CB . GLN D 1 52 ? -27.622 -21.010 -38.804 1.00 25.21 ? 53 GLN D CB 1 ATOM 3236 C CG . GLN D 1 52 ? -28.459 -20.241 -39.773 1.00 29.78 ? 53 GLN D CG 1 ATOM 3237 C CD . GLN D 1 52 ? -28.069 -20.559 -41.209 1.00 34.87 ? 53 GLN D CD 1 ATOM 3238 O OE1 . GLN D 1 52 ? -26.918 -20.569 -41.525 1.00 33.84 ? 53 GLN D OE1 1 ATOM 3239 N NE2 . GLN D 1 52 ? -29.061 -20.828 -42.046 1.00 40.94 ? 53 GLN D NE2 1 ATOM 3240 N N . ASN D 1 53 ? -30.678 -20.780 -37.289 1.00 21.29 ? 54 ASN D N 1 ATOM 3241 C CA . ASN D 1 53 ? -32.021 -21.248 -37.321 1.00 20.11 ? 54 ASN D CA 1 ATOM 3242 C C . ASN D 1 53 ? -32.394 -21.404 -38.799 1.00 24.26 ? 54 ASN D C 1 ATOM 3243 O O . ASN D 1 53 ? -32.081 -20.532 -39.575 1.00 25.16 ? 54 ASN D O 1 ATOM 3244 C CB . ASN D 1 53 ? -32.915 -20.182 -36.675 1.00 22.21 ? 54 ASN D CB 1 ATOM 3245 C CG . ASN D 1 53 ? -34.368 -20.599 -36.608 1.00 26.45 ? 54 ASN D CG 1 ATOM 3246 O OD1 . ASN D 1 53 ? -34.967 -20.752 -35.525 1.00 27.95 ? 54 ASN D OD1 1 ATOM 3247 N ND2 . ASN D 1 53 ? -34.984 -20.599 -37.793 1.00 19.98 ? 54 ASN D ND2 1 ATOM 3248 N N . THR D 1 54 ? -32.990 -22.543 -39.134 1.00 24.49 ? 55 THR D N 1 ATOM 3249 C CA . THR D 1 54 ? -33.290 -22.831 -40.586 1.00 27.59 ? 55 THR D CA 1 ATOM 3250 C C . THR D 1 54 ? -34.776 -22.812 -40.828 1.00 28.65 ? 55 THR D C 1 ATOM 3251 O O . THR D 1 54 ? -35.232 -23.171 -41.944 1.00 29.74 ? 55 THR D O 1 ATOM 3252 C CB . THR D 1 54 ? -32.828 -24.253 -40.957 1.00 29.17 ? 55 THR D CB 1 ATOM 3253 O OG1 . THR D 1 54 ? -33.245 -25.201 -39.904 1.00 32.02 ? 55 THR D OG1 1 ATOM 3254 C CG2 . THR D 1 54 ? -31.289 -24.215 -41.104 1.00 33.17 ? 55 THR D CG2 1 ATOM 3255 N N . ILE D 1 55 ? -35.542 -22.360 -39.879 1.00 26.82 ? 56 ILE D N 1 ATOM 3256 C CA . ILE D 1 55 ? -37.052 -22.427 -40.028 1.00 27.81 ? 56 ILE D CA 1 ATOM 3257 C C . ILE D 1 55 ? -37.487 -21.455 -41.158 1.00 28.96 ? 56 ILE D C 1 ATOM 3258 O O . ILE D 1 55 ? -36.955 -20.350 -41.269 1.00 28.99 ? 56 ILE D O 1 ATOM 3259 C CB . ILE D 1 55 ? -37.776 -22.221 -38.704 1.00 27.83 ? 56 ILE D CB 1 ATOM 3260 C CG1 . ILE D 1 55 ? -37.434 -23.303 -37.672 1.00 28.88 ? 56 ILE D CG1 1 ATOM 3261 C CG2 . ILE D 1 55 ? -39.321 -22.019 -38.858 1.00 30.86 ? 56 ILE D CG2 1 ATOM 3262 C CD1 . ILE D 1 55 ? -37.459 -24.806 -38.128 1.00 24.27 ? 56 ILE D CD1 1 ATOM 3263 N N . ASN D 1 56 ? -38.405 -21.911 -42.049 1.00 31.69 ? 57 ASN D N 1 ATOM 3264 C CA . ASN D 1 56 ? -38.750 -21.157 -43.309 1.00 32.75 ? 57 ASN D CA 1 ATOM 3265 C C . ASN D 1 56 ? -37.597 -20.755 -44.136 1.00 34.35 ? 57 ASN D C 1 ATOM 3266 O O . ASN D 1 56 ? -37.739 -19.863 -44.959 1.00 34.98 ? 57 ASN D O 1 ATOM 3267 C CB . ASN D 1 56 ? -39.662 -19.970 -43.047 1.00 33.19 ? 57 ASN D CB 1 ATOM 3268 C CG . ASN D 1 56 ? -40.978 -20.432 -42.508 1.00 33.52 ? 57 ASN D CG 1 ATOM 3269 O OD1 . ASN D 1 56 ? -41.588 -21.394 -43.056 1.00 35.55 ? 57 ASN D OD1 1 ATOM 3270 N ND2 . ASN D 1 56 ? -41.358 -19.909 -41.339 1.00 30.23 ? 57 ASN D ND2 1 ATOM 3271 N N . LYS D 1 57 ? -36.444 -21.446 -43.949 1.00 34.61 ? 58 LYS D N 1 ATOM 3272 C CA . LYS D 1 57 ? -35.188 -21.169 -44.674 1.00 36.63 ? 58 LYS D CA 1 ATOM 3273 C C . LYS D 1 57 ? -34.989 -19.696 -45.043 1.00 36.85 ? 58 LYS D C 1 ATOM 3274 O O . LYS D 1 57 ? -34.707 -19.332 -46.213 1.00 36.12 ? 58 LYS D O 1 ATOM 3275 C CB . LYS D 1 57 ? -35.040 -22.059 -45.938 1.00 37.68 ? 58 LYS D CB 1 ATOM 3276 C CG . LYS D 1 57 ? -35.327 -23.511 -45.745 1.00 43.04 ? 58 LYS D CG 1 ATOM 3277 C CD . LYS D 1 57 ? -34.911 -24.282 -47.043 1.00 50.91 ? 58 LYS D CD 1 ATOM 3278 C CE . LYS D 1 57 ? -35.773 -25.527 -47.260 1.00 55.43 ? 58 LYS D CE 1 ATOM 3279 N NZ . LYS D 1 57 ? -35.602 -26.125 -48.658 1.00 58.69 ? 58 LYS D NZ 1 ATOM 3280 N N . ARG D 1 58 ? -35.072 -18.830 -44.029 1.00 36.02 ? 59 ARG D N 1 ATOM 3281 C CA . ARG D 1 58 ? -34.876 -17.364 -44.246 1.00 35.57 ? 59 ARG D CA 1 ATOM 3282 C C . ARG D 1 58 ? -33.573 -16.967 -44.902 1.00 35.38 ? 59 ARG D C 1 ATOM 3283 O O . ARG D 1 58 ? -32.507 -17.528 -44.592 1.00 36.13 ? 59 ARG D O 1 ATOM 3284 C CB . ARG D 1 58 ? -35.027 -16.626 -42.906 1.00 34.95 ? 59 ARG D CB 1 ATOM 3285 C CG . ARG D 1 58 ? -36.404 -16.897 -42.361 1.00 38.05 ? 59 ARG D CG 1 ATOM 3286 C CD . ARG D 1 58 ? -37.392 -15.948 -43.071 1.00 48.73 ? 59 ARG D CD 1 ATOM 3287 N NE . ARG D 1 58 ? -37.280 -14.734 -42.261 1.00 55.69 ? 59 ARG D NE 1 ATOM 3288 C CZ . ARG D 1 58 ? -37.688 -13.514 -42.565 1.00 54.48 ? 59 ARG D CZ 1 ATOM 3289 N NH1 . ARG D 1 58 ? -37.451 -12.541 -41.666 1.00 54.98 ? 59 ARG D NH1 1 ATOM 3290 N NH2 . ARG D 1 58 ? -38.247 -13.259 -43.744 1.00 52.43 ? 59 ARG D NH2 1 ATOM 3291 N N . THR D 1 59 ? -33.605 -15.901 -45.736 1.00 33.02 ? 60 THR D N 1 ATOM 3292 C CA . THR D 1 59 ? -32.374 -15.431 -46.258 1.00 32.77 ? 60 THR D CA 1 ATOM 3293 C C . THR D 1 59 ? -31.500 -14.678 -45.229 1.00 31.54 ? 60 THR D C 1 ATOM 3294 O O . THR D 1 59 ? -30.313 -14.483 -45.478 1.00 30.65 ? 60 THR D O 1 ATOM 3295 C CB . THR D 1 59 ? -32.670 -14.496 -47.431 1.00 37.12 ? 60 THR D CB 1 ATOM 3296 O OG1 . THR D 1 59 ? -33.475 -13.441 -46.933 1.00 40.63 ? 60 THR D OG1 1 ATOM 3297 C CG2 . THR D 1 59 ? -33.511 -15.274 -48.470 1.00 36.83 ? 60 THR D CG2 1 ATOM 3298 N N . GLN D 1 60 ? -32.075 -14.245 -44.098 1.00 27.80 ? 61 GLN D N 1 ATOM 3299 C CA . GLN D 1 60 ? -31.298 -13.431 -43.191 1.00 26.29 ? 61 GLN D CA 1 ATOM 3300 C C . GLN D 1 60 ? -31.485 -14.140 -41.804 1.00 25.89 ? 61 GLN D C 1 ATOM 3301 O O . GLN D 1 60 ? -32.365 -13.796 -41.003 1.00 27.72 ? 61 GLN D O 1 ATOM 3302 C CB . GLN D 1 60 ? -31.795 -11.942 -43.192 1.00 26.33 ? 61 GLN D CB 1 ATOM 3303 C CG . GLN D 1 60 ? -31.232 -11.195 -44.445 1.00 26.03 ? 61 GLN D CG 1 ATOM 3304 C CD . GLN D 1 60 ? -31.574 -9.666 -44.486 1.00 22.14 ? 61 GLN D CD 1 ATOM 3305 O OE1 . GLN D 1 60 ? -30.733 -8.890 -44.814 1.00 29.94 ? 61 GLN D OE1 1 ATOM 3306 N NE2 . GLN D 1 60 ? -32.816 -9.300 -44.113 1.00 26.04 ? 61 GLN D NE2 1 ATOM 3307 N N . PRO D 1 61 ? -30.819 -15.293 -41.646 1.00 25.02 ? 62 PRO D N 1 ATOM 3308 C CA . PRO D 1 61 ? -31.205 -16.147 -40.502 1.00 23.55 ? 62 PRO D CA 1 ATOM 3309 C C . PRO D 1 61 ? -30.641 -15.570 -39.140 1.00 19.60 ? 62 PRO D C 1 ATOM 3310 O O . PRO D 1 61 ? -29.655 -14.868 -39.125 1.00 19.78 ? 62 PRO D O 1 ATOM 3311 C CB . PRO D 1 61 ? -30.591 -17.529 -40.838 1.00 22.64 ? 62 PRO D CB 1 ATOM 3312 C CG . PRO D 1 61 ? -29.293 -17.117 -41.588 1.00 27.34 ? 62 PRO D CG 1 ATOM 3313 C CD . PRO D 1 61 ? -29.717 -15.849 -42.482 1.00 26.08 ? 62 PRO D CD 1 ATOM 3314 N N . THR D 1 62 ? -31.370 -15.921 -38.097 1.00 19.85 ? 63 THR D N 1 ATOM 3315 C CA . THR D 1 62 ? -30.802 -15.733 -36.679 1.00 20.22 ? 63 THR D CA 1 ATOM 3316 C C . THR D 1 62 ? -29.891 -16.903 -36.408 1.00 18.70 ? 63 THR D C 1 ATOM 3317 O O . THR D 1 62 ? -29.948 -17.989 -37.044 1.00 20.52 ? 63 THR D O 1 ATOM 3318 C CB . THR D 1 62 ? -31.896 -15.756 -35.580 1.00 15.82 ? 63 THR D CB 1 ATOM 3319 O OG1 . THR D 1 62 ? -32.544 -16.991 -35.350 1.00 17.75 ? 63 THR D OG1 1 ATOM 3320 C CG2 . THR D 1 62 ? -32.975 -14.672 -35.899 1.00 21.64 ? 63 THR D CG2 1 ATOM 3321 N N . PHE D 1 63 ? -29.070 -16.723 -35.337 1.00 17.22 ? 64 PHE D N 1 ATOM 3322 C CA . PHE D 1 63 ? -28.177 -17.879 -35.000 1.00 18.32 ? 64 PHE D CA 1 ATOM 3323 C C . PHE D 1 63 ? -27.639 -17.557 -33.593 1.00 16.89 ? 64 PHE D C 1 ATOM 3324 O O . PHE D 1 63 ? -27.911 -16.423 -33.092 1.00 18.37 ? 64 PHE D O 1 ATOM 3325 C CB . PHE D 1 63 ? -26.899 -17.826 -35.932 1.00 19.29 ? 64 PHE D CB 1 ATOM 3326 C CG . PHE D 1 63 ? -26.169 -16.538 -35.968 1.00 19.27 ? 64 PHE D CG 1 ATOM 3327 C CD1 . PHE D 1 63 ? -25.075 -16.224 -35.074 1.00 20.33 ? 64 PHE D CD1 1 ATOM 3328 C CD2 . PHE D 1 63 ? -26.531 -15.501 -36.872 1.00 20.36 ? 64 PHE D CD2 1 ATOM 3329 C CE1 . PHE D 1 63 ? -24.412 -14.964 -35.059 1.00 22.27 ? 64 PHE D CE1 1 ATOM 3330 C CE2 . PHE D 1 63 ? -25.798 -14.297 -36.903 1.00 17.53 ? 64 PHE D CE2 1 ATOM 3331 C CZ . PHE D 1 63 ? -24.801 -13.953 -35.986 1.00 21.96 ? 64 PHE D CZ 1 ATOM 3332 N N . GLY D 1 64 ? -26.985 -18.555 -32.976 1.00 17.94 ? 65 GLY D N 1 ATOM 3333 C CA . GLY D 1 64 ? -26.294 -18.190 -31.692 1.00 18.48 ? 65 GLY D CA 1 ATOM 3334 C C . GLY D 1 64 ? -25.065 -19.098 -31.636 1.00 16.31 ? 65 GLY D C 1 ATOM 3335 O O . GLY D 1 64 ? -25.024 -20.144 -32.311 1.00 17.47 ? 65 GLY D O 1 ATOM 3336 N N . PHE D 1 65 ? -24.111 -18.723 -30.770 1.00 16.53 ? 66 PHE D N 1 ATOM 3337 C CA . PHE D 1 65 ? -22.999 -19.695 -30.624 1.00 15.74 ? 66 PHE D CA 1 ATOM 3338 C C . PHE D 1 65 ? -22.346 -19.391 -29.292 1.00 15.06 ? 66 PHE D C 1 ATOM 3339 O O . PHE D 1 65 ? -22.552 -18.339 -28.685 1.00 15.67 ? 66 PHE D O 1 ATOM 3340 C CB . PHE D 1 65 ? -21.909 -19.551 -31.756 1.00 15.19 ? 66 PHE D CB 1 ATOM 3341 C CG . PHE D 1 65 ? -21.316 -18.185 -31.971 1.00 15.19 ? 66 PHE D CG 1 ATOM 3342 C CD1 . PHE D 1 65 ? -20.214 -17.762 -31.250 1.00 16.40 ? 66 PHE D CD1 1 ATOM 3343 C CD2 . PHE D 1 65 ? -21.809 -17.351 -33.033 1.00 18.09 ? 66 PHE D CD2 1 ATOM 3344 C CE1 . PHE D 1 65 ? -19.613 -16.544 -31.443 1.00 19.24 ? 66 PHE D CE1 1 ATOM 3345 C CE2 . PHE D 1 65 ? -21.240 -16.087 -33.216 1.00 15.33 ? 66 PHE D CE2 1 ATOM 3346 C CZ . PHE D 1 65 ? -20.110 -15.665 -32.465 1.00 19.09 ? 66 PHE D CZ 1 ATOM 3347 N N . THR D 1 66 ? -21.555 -20.343 -28.836 1.00 14.47 ? 67 THR D N 1 ATOM 3348 C CA . THR D 1 66 ? -20.891 -20.205 -27.544 1.00 13.59 ? 67 THR D CA 1 ATOM 3349 C C . THR D 1 66 ? -19.428 -20.262 -27.810 1.00 15.17 ? 67 THR D C 1 ATOM 3350 O O . THR D 1 66 ? -18.962 -21.134 -28.534 1.00 15.02 ? 67 THR D O 1 ATOM 3351 C CB . THR D 1 66 ? -21.320 -21.477 -26.670 1.00 14.26 ? 67 THR D CB 1 ATOM 3352 O OG1 . THR D 1 66 ? -22.740 -21.475 -26.428 1.00 14.39 ? 67 THR D OG1 1 ATOM 3353 C CG2 . THR D 1 66 ? -20.589 -21.425 -25.285 1.00 14.48 ? 67 THR D CG2 1 ATOM 3354 N N . VAL D 1 67 ? -18.667 -19.385 -27.188 1.00 14.57 ? 68 VAL D N 1 ATOM 3355 C CA . VAL D 1 67 ? -17.154 -19.423 -27.335 1.00 15.58 ? 68 VAL D CA 1 ATOM 3356 C C . VAL D 1 67 ? -16.626 -20.000 -26.023 1.00 18.07 ? 68 VAL D C 1 ATOM 3357 O O . VAL D 1 67 ? -16.913 -19.481 -24.968 1.00 16.90 ? 68 VAL D O 1 ATOM 3358 C CB . VAL D 1 67 ? -16.646 -18.034 -27.504 1.00 17.17 ? 68 VAL D CB 1 ATOM 3359 C CG1 . VAL D 1 67 ? -15.011 -18.134 -27.676 1.00 15.44 ? 68 VAL D CG1 1 ATOM 3360 C CG2 . VAL D 1 67 ? -17.212 -17.393 -28.765 1.00 16.54 ? 68 VAL D CG2 1 ATOM 3361 N N . ASN D 1 68 ? -15.866 -21.104 -26.123 1.00 15.37 ? 69 ASN D N 1 ATOM 3362 C CA . ASN D 1 68 ? -15.376 -21.804 -24.987 1.00 17.48 ? 69 ASN D CA 1 ATOM 3363 C C . ASN D 1 68 ? -13.920 -21.338 -24.791 1.00 16.36 ? 69 ASN D C 1 ATOM 3364 O O . ASN D 1 68 ? -12.987 -21.967 -25.328 1.00 17.44 ? 69 ASN D O 1 ATOM 3365 C CB . ASN D 1 68 ? -15.381 -23.288 -25.374 1.00 17.55 ? 69 ASN D CB 1 ATOM 3366 C CG . ASN D 1 68 ? -14.994 -24.181 -24.251 1.00 22.07 ? 69 ASN D CG 1 ATOM 3367 O OD1 . ASN D 1 68 ? -14.608 -25.355 -24.516 1.00 25.57 ? 69 ASN D OD1 1 ATOM 3368 N ND2 . ASN D 1 68 ? -15.012 -23.695 -23.059 1.00 15.90 ? 69 ASN D ND2 1 ATOM 3369 N N . TRP D 1 69 ? -13.751 -20.275 -24.025 1.00 17.49 ? 70 TRP D N 1 ATOM 3370 C CA . TRP D 1 69 ? -12.428 -19.666 -23.923 1.00 17.66 ? 70 TRP D CA 1 ATOM 3371 C C . TRP D 1 69 ? -11.370 -20.634 -23.333 1.00 20.10 ? 70 TRP D C 1 ATOM 3372 O O . TRP D 1 69 ? -11.620 -21.315 -22.321 1.00 19.50 ? 70 TRP D O 1 ATOM 3373 C CB . TRP D 1 69 ? -12.491 -18.432 -23.031 1.00 19.78 ? 70 TRP D CB 1 ATOM 3374 C CG . TRP D 1 69 ? -13.477 -17.373 -23.536 1.00 18.06 ? 70 TRP D CG 1 ATOM 3375 C CD1 . TRP D 1 69 ? -14.720 -17.083 -22.975 1.00 18.58 ? 70 TRP D CD1 1 ATOM 3376 C CD2 . TRP D 1 69 ? -13.355 -16.596 -24.732 1.00 18.11 ? 70 TRP D CD2 1 ATOM 3377 N NE1 . TRP D 1 69 ? -15.312 -16.007 -23.728 1.00 16.70 ? 70 TRP D NE1 1 ATOM 3378 C CE2 . TRP D 1 69 ? -14.565 -15.779 -24.842 1.00 15.59 ? 70 TRP D CE2 1 ATOM 3379 C CE3 . TRP D 1 69 ? -12.392 -16.510 -25.738 1.00 18.44 ? 70 TRP D CE3 1 ATOM 3380 C CZ2 . TRP D 1 69 ? -14.759 -14.876 -25.872 1.00 13.98 ? 70 TRP D CZ2 1 ATOM 3381 C CZ3 . TRP D 1 69 ? -12.549 -15.587 -26.813 1.00 20.67 ? 70 TRP D CZ3 1 ATOM 3382 C CH2 . TRP D 1 69 ? -13.757 -14.724 -26.835 1.00 19.70 ? 70 TRP D CH2 1 ATOM 3383 N N . LYS D 1 70 ? -10.216 -20.596 -23.955 1.00 21.34 ? 71 LYS D N 1 ATOM 3384 C CA . LYS D 1 70 ? -9.136 -21.599 -23.593 1.00 22.91 ? 71 LYS D CA 1 ATOM 3385 C C . LYS D 1 70 ? -8.140 -20.982 -22.646 1.00 24.53 ? 71 LYS D C 1 ATOM 3386 O O . LYS D 1 70 ? -7.230 -21.721 -22.201 1.00 24.42 ? 71 LYS D O 1 ATOM 3387 C CB . LYS D 1 70 ? -8.487 -22.039 -24.865 1.00 23.07 ? 71 LYS D CB 1 ATOM 3388 C CG . LYS D 1 70 ? -9.416 -23.126 -25.532 1.00 29.23 ? 71 LYS D CG 1 ATOM 3389 C CD . LYS D 1 70 ? -9.542 -24.353 -24.445 1.00 37.99 ? 71 LYS D CD 1 ATOM 3390 C CE . LYS D 1 70 ? -10.827 -25.182 -24.596 1.00 40.31 ? 71 LYS D CE 1 ATOM 3391 N NZ . LYS D 1 70 ? -11.073 -26.074 -23.298 1.00 32.78 ? 71 LYS D NZ 1 ATOM 3392 N N . PHE D 1 71 ? -8.336 -19.734 -22.221 1.00 21.21 ? 72 PHE D N 1 ATOM 3393 C CA . PHE D 1 71 ? -7.326 -18.996 -21.453 1.00 22.61 ? 72 PHE D CA 1 ATOM 3394 C C . PHE D 1 71 ? -7.971 -18.375 -20.281 1.00 21.94 ? 72 PHE D C 1 ATOM 3395 O O . PHE D 1 71 ? -7.344 -17.598 -19.537 1.00 24.78 ? 72 PHE D O 1 ATOM 3396 C CB . PHE D 1 71 ? -6.543 -17.913 -22.270 1.00 22.41 ? 72 PHE D CB 1 ATOM 3397 C CG . PHE D 1 71 ? -7.451 -16.901 -22.909 1.00 19.88 ? 72 PHE D CG 1 ATOM 3398 C CD1 . PHE D 1 71 ? -8.086 -17.260 -24.106 1.00 20.87 ? 72 PHE D CD1 1 ATOM 3399 C CD2 . PHE D 1 71 ? -7.799 -15.715 -22.221 1.00 22.52 ? 72 PHE D CD2 1 ATOM 3400 C CE1 . PHE D 1 71 ? -8.953 -16.306 -24.744 1.00 20.52 ? 72 PHE D CE1 1 ATOM 3401 C CE2 . PHE D 1 71 ? -8.677 -14.753 -22.859 1.00 24.09 ? 72 PHE D CE2 1 ATOM 3402 C CZ . PHE D 1 71 ? -9.238 -15.107 -24.078 1.00 20.66 ? 72 PHE D CZ 1 ATOM 3403 N N . SER D 1 72 ? -9.274 -18.736 -20.031 1.00 20.32 ? 73 SER D N 1 ATOM 3404 C CA . SER D 1 72 ? -9.948 -18.216 -18.805 1.00 16.74 ? 73 SER D CA 1 ATOM 3405 C C . SER D 1 72 ? -11.024 -19.186 -18.389 1.00 17.38 ? 73 SER D C 1 ATOM 3406 O O . SER D 1 72 ? -11.277 -20.154 -19.115 1.00 20.21 ? 73 SER D O 1 ATOM 3407 C CB . SER D 1 72 ? -10.580 -16.836 -19.070 1.00 24.11 ? 73 SER D CB 1 ATOM 3408 O OG . SER D 1 72 ? -11.675 -17.115 -19.845 1.00 24.97 ? 73 SER D OG 1 ATOM 3409 N N . GLU D 1 73 ? -11.627 -18.953 -17.251 1.00 15.30 ? 74 GLU D N 1 ATOM 3410 C CA . GLU D 1 73 ? -12.661 -19.830 -16.766 1.00 15.56 ? 74 GLU D CA 1 ATOM 3411 C C . GLU D 1 73 ? -14.066 -19.375 -17.235 1.00 16.14 ? 74 GLU D C 1 ATOM 3412 O O . GLU D 1 73 ? -15.049 -19.989 -16.949 1.00 18.19 ? 74 GLU D O 1 ATOM 3413 C CB . GLU D 1 73 ? -12.621 -19.974 -15.254 1.00 17.52 ? 74 GLU D CB 1 ATOM 3414 C CG . GLU D 1 73 ? -11.358 -20.665 -14.750 1.00 20.47 ? 74 GLU D CG 1 ATOM 3415 C CD . GLU D 1 73 ? -11.169 -20.560 -13.283 1.00 31.81 ? 74 GLU D CD 1 ATOM 3416 O OE1 . GLU D 1 73 ? -11.963 -19.929 -12.642 1.00 31.12 ? 74 GLU D OE1 1 ATOM 3417 O OE2 . GLU D 1 73 ? -10.212 -21.113 -12.782 1.00 30.88 ? 74 GLU D OE2 1 ATOM 3418 N N . SER D 1 74 ? -14.071 -18.293 -17.974 1.00 15.74 ? 75 SER D N 1 ATOM 3419 C CA . SER D 1 74 ? -15.335 -17.676 -18.534 1.00 15.28 ? 75 SER D CA 1 ATOM 3420 C C . SER D 1 74 ? -15.902 -18.355 -19.745 1.00 15.64 ? 75 SER D C 1 ATOM 3421 O O . SER D 1 74 ? -15.261 -19.147 -20.441 1.00 14.49 ? 75 SER D O 1 ATOM 3422 C CB . SER D 1 74 ? -14.852 -16.280 -19.050 1.00 18.21 ? 75 SER D CB 1 ATOM 3423 O OG . SER D 1 74 ? -14.732 -15.564 -17.820 1.00 27.85 ? 75 SER D OG 1 ATOM 3424 N N . THR D 1 75 ? -17.170 -17.999 -20.047 1.00 14.65 ? 76 THR D N 1 ATOM 3425 C CA . THR D 1 75 ? -17.797 -18.441 -21.324 1.00 13.51 ? 76 THR D CA 1 ATOM 3426 C C . THR D 1 75 ? -18.548 -17.217 -21.896 1.00 14.10 ? 76 THR D C 1 ATOM 3427 O O . THR D 1 75 ? -19.112 -16.451 -21.118 1.00 14.74 ? 76 THR D O 1 ATOM 3428 C CB . THR D 1 75 ? -18.925 -19.505 -21.033 1.00 14.20 ? 76 THR D CB 1 ATOM 3429 O OG1 . THR D 1 75 ? -18.262 -20.699 -20.525 1.00 15.64 ? 76 THR D OG1 1 ATOM 3430 C CG2 . THR D 1 75 ? -19.605 -19.987 -22.331 1.00 14.96 ? 76 THR D CG2 1 ATOM 3431 N N . THR D 1 76 ? -18.524 -17.069 -23.233 1.00 13.52 ? 77 THR D N 1 ATOM 3432 C CA . THR D 1 76 ? -19.361 -15.962 -23.792 1.00 15.11 ? 77 THR D CA 1 ATOM 3433 C C . THR D 1 76 ? -20.292 -16.645 -24.800 1.00 13.28 ? 77 THR D C 1 ATOM 3434 O O . THR D 1 76 ? -19.944 -17.614 -25.531 1.00 14.23 ? 77 THR D O 1 ATOM 3435 C CB . THR D 1 76 ? -18.534 -14.992 -24.589 1.00 15.51 ? 77 THR D CB 1 ATOM 3436 O OG1 . THR D 1 76 ? -17.605 -14.350 -23.739 1.00 14.24 ? 77 THR D OG1 1 ATOM 3437 C CG2 . THR D 1 76 ? -19.403 -13.863 -25.213 1.00 16.28 ? 77 THR D CG2 1 ATOM 3438 N N . VAL D 1 77 ? -21.555 -16.137 -24.816 1.00 14.03 ? 78 VAL D N 1 ATOM 3439 C CA . VAL D 1 77 ? -22.472 -16.531 -25.865 1.00 13.65 ? 78 VAL D CA 1 ATOM 3440 C C . VAL D 1 77 ? -22.835 -15.307 -26.679 1.00 17.38 ? 78 VAL D C 1 ATOM 3441 O O . VAL D 1 77 ? -22.939 -14.185 -26.151 1.00 14.30 ? 78 VAL D O 1 ATOM 3442 C CB . VAL D 1 77 ? -23.804 -17.149 -25.350 1.00 15.19 ? 78 VAL D CB 1 ATOM 3443 C CG1 . VAL D 1 77 ? -23.502 -18.588 -24.726 1.00 14.38 ? 78 VAL D CG1 1 ATOM 3444 C CG2 . VAL D 1 77 ? -24.548 -16.275 -24.270 1.00 18.30 ? 78 VAL D CG2 1 ATOM 3445 N N . PHE D 1 78 ? -23.109 -15.573 -27.993 1.00 15.79 ? 79 PHE D N 1 ATOM 3446 C CA . PHE D 1 78 ? -23.454 -14.467 -28.938 1.00 15.82 ? 79 PHE D CA 1 ATOM 3447 C C . PHE D 1 78 ? -24.742 -14.907 -29.611 1.00 15.59 ? 79 PHE D C 1 ATOM 3448 O O . PHE D 1 78 ? -24.936 -16.098 -29.916 1.00 15.76 ? 79 PHE D O 1 ATOM 3449 C CB . PHE D 1 78 ? -22.413 -14.316 -30.118 1.00 15.12 ? 79 PHE D CB 1 ATOM 3450 C CG . PHE D 1 78 ? -21.101 -13.728 -29.665 1.00 15.22 ? 79 PHE D CG 1 ATOM 3451 C CD1 . PHE D 1 78 ? -20.147 -14.482 -29.011 1.00 17.64 ? 79 PHE D CD1 1 ATOM 3452 C CD2 . PHE D 1 78 ? -20.836 -12.382 -29.886 1.00 20.76 ? 79 PHE D CD2 1 ATOM 3453 C CE1 . PHE D 1 78 ? -18.873 -13.876 -28.602 1.00 17.47 ? 79 PHE D CE1 1 ATOM 3454 C CE2 . PHE D 1 78 ? -19.653 -11.801 -29.549 1.00 22.09 ? 79 PHE D CE2 1 ATOM 3455 C CZ . PHE D 1 78 ? -18.621 -12.528 -28.880 1.00 21.01 ? 79 PHE D CZ 1 ATOM 3456 N N . THR D 1 79 ? -25.608 -13.914 -29.889 1.00 15.87 ? 80 THR D N 1 ATOM 3457 C CA . THR D 1 79 ? -26.762 -14.298 -30.681 1.00 16.50 ? 80 THR D CA 1 ATOM 3458 C C . THR D 1 79 ? -27.061 -13.099 -31.590 1.00 15.92 ? 80 THR D C 1 ATOM 3459 O O . THR D 1 79 ? -26.943 -11.949 -31.182 1.00 17.60 ? 80 THR D O 1 ATOM 3460 C CB . THR D 1 79 ? -27.978 -14.808 -29.860 1.00 19.35 ? 80 THR D CB 1 ATOM 3461 O OG1 . THR D 1 79 ? -28.995 -15.263 -30.791 1.00 19.64 ? 80 THR D OG1 1 ATOM 3462 C CG2 . THR D 1 79 ? -28.657 -13.623 -29.024 1.00 19.05 ? 80 THR D CG2 1 ATOM 3463 N N . GLY D 1 80 ? -27.487 -13.362 -32.849 1.00 17.10 ? 81 GLY D N 1 ATOM 3464 C CA . GLY D 1 80 ? -27.778 -12.224 -33.701 1.00 16.63 ? 81 GLY D CA 1 ATOM 3465 C C . GLY D 1 80 ? -28.460 -12.724 -34.998 1.00 15.64 ? 81 GLY D C 1 ATOM 3466 O O . GLY D 1 80 ? -29.004 -13.785 -35.041 1.00 16.41 ? 81 GLY D O 1 ATOM 3467 N N . GLN D 1 81 ? -28.309 -11.856 -35.980 1.00 20.18 ? 82 GLN D N 1 ATOM 3468 C CA . GLN D 1 81 ? -28.873 -12.106 -37.348 1.00 20.49 ? 82 GLN D CA 1 ATOM 3469 C C . GLN D 1 81 ? -27.859 -11.706 -38.406 1.00 20.29 ? 82 GLN D C 1 ATOM 3470 O O . GLN D 1 81 ? -27.082 -10.791 -38.272 1.00 20.10 ? 82 GLN D O 1 ATOM 3471 C CB . GLN D 1 81 ? -30.226 -11.339 -37.428 1.00 22.12 ? 82 GLN D CB 1 ATOM 3472 C CG . GLN D 1 81 ? -31.053 -11.819 -38.667 1.00 22.40 ? 82 GLN D CG 1 ATOM 3473 C CD . GLN D 1 81 ? -32.456 -11.175 -38.646 1.00 27.13 ? 82 GLN D CD 1 ATOM 3474 O OE1 . GLN D 1 81 ? -32.823 -10.466 -37.666 1.00 26.45 ? 82 GLN D OE1 1 ATOM 3475 N NE2 . GLN D 1 81 ? -33.220 -11.390 -39.714 1.00 24.54 ? 82 GLN D NE2 1 ATOM 3476 N N . CYS D 1 82 ? -27.872 -12.483 -39.512 1.00 22.22 ? 83 CYS D N 1 ATOM 3477 C CA . CYS D 1 82 ? -26.934 -12.254 -40.612 1.00 24.75 ? 83 CYS D CA 1 ATOM 3478 C C . CYS D 1 82 ? -27.763 -11.369 -41.648 1.00 25.56 ? 83 CYS D C 1 ATOM 3479 O O . CYS D 1 82 ? -28.799 -11.845 -42.060 1.00 26.43 ? 83 CYS D O 1 ATOM 3480 C CB . CYS D 1 82 ? -26.772 -13.658 -41.227 1.00 25.77 ? 83 CYS D CB 1 ATOM 3481 S SG . CYS D 1 82 ? -25.400 -13.742 -42.475 1.00 33.13 ? 83 CYS D SG 1 ATOM 3482 N N . PHE D 1 83 ? -27.310 -10.185 -41.937 1.00 25.90 ? 84 PHE D N 1 ATOM 3483 C CA . PHE D 1 83 ? -28.014 -9.283 -42.885 1.00 29.02 ? 84 PHE D CA 1 ATOM 3484 C C . PHE D 1 83 ? -27.175 -9.158 -44.127 1.00 30.83 ? 84 PHE D C 1 ATOM 3485 O O . PHE D 1 83 ? -25.978 -8.953 -44.047 1.00 31.89 ? 84 PHE D O 1 ATOM 3486 C CB . PHE D 1 83 ? -28.217 -7.870 -42.279 1.00 29.11 ? 84 PHE D CB 1 ATOM 3487 C CG . PHE D 1 83 ? -29.172 -7.856 -41.126 1.00 27.95 ? 84 PHE D CG 1 ATOM 3488 C CD1 . PHE D 1 83 ? -28.676 -7.777 -39.794 1.00 26.59 ? 84 PHE D CD1 1 ATOM 3489 C CD2 . PHE D 1 83 ? -30.568 -7.927 -41.347 1.00 25.87 ? 84 PHE D CD2 1 ATOM 3490 C CE1 . PHE D 1 83 ? -29.580 -7.778 -38.746 1.00 22.70 ? 84 PHE D CE1 1 ATOM 3491 C CE2 . PHE D 1 83 ? -31.519 -7.956 -40.270 1.00 28.13 ? 84 PHE D CE2 1 ATOM 3492 C CZ . PHE D 1 83 ? -30.979 -7.908 -38.916 1.00 26.85 ? 84 PHE D CZ 1 ATOM 3493 N N . ILE D 1 84 ? -27.831 -9.123 -45.307 1.00 35.10 ? 85 ILE D N 1 ATOM 3494 C CA . ILE D 1 84 ? -27.071 -9.063 -46.537 1.00 38.21 ? 85 ILE D CA 1 ATOM 3495 C C . ILE D 1 84 ? -27.700 -8.014 -47.443 1.00 41.55 ? 85 ILE D C 1 ATOM 3496 O O . ILE D 1 84 ? -28.905 -8.005 -47.549 1.00 41.53 ? 85 ILE D O 1 ATOM 3497 C CB . ILE D 1 84 ? -27.116 -10.491 -47.258 1.00 37.32 ? 85 ILE D CB 1 ATOM 3498 C CG1 . ILE D 1 84 ? -26.224 -10.537 -48.507 1.00 41.29 ? 85 ILE D CG1 1 ATOM 3499 C CG2 . ILE D 1 84 ? -28.541 -10.947 -47.507 1.00 32.88 ? 85 ILE D CG2 1 ATOM 3500 C CD1 . ILE D 1 84 ? -26.088 -11.925 -49.120 1.00 41.34 ? 85 ILE D CD1 1 ATOM 3501 N N . ASP D 1 85 ? -26.891 -7.160 -48.081 1.00 45.99 ? 86 ASP D N 1 ATOM 3502 C CA . ASP D 1 85 ? -27.446 -6.006 -48.886 1.00 51.44 ? 86 ASP D CA 1 ATOM 3503 C C . ASP D 1 85 ? -27.532 -6.308 -50.429 1.00 54.32 ? 86 ASP D C 1 ATOM 3504 O O . ASP D 1 85 ? -27.178 -7.426 -50.856 1.00 54.25 ? 86 ASP D O 1 ATOM 3505 C CB . ASP D 1 85 ? -26.683 -4.698 -48.597 1.00 50.37 ? 86 ASP D CB 1 ATOM 3506 C CG . ASP D 1 85 ? -25.309 -4.604 -49.362 1.00 54.01 ? 86 ASP D CG 1 ATOM 3507 O OD1 . ASP D 1 85 ? -24.537 -3.654 -49.081 1.00 59.50 ? 86 ASP D OD1 1 ATOM 3508 O OD2 . ASP D 1 85 ? -24.974 -5.476 -50.217 1.00 52.14 ? 86 ASP D OD2 1 ATOM 3509 N N . ARG D 1 86 ? -28.051 -5.326 -51.217 1.00 57.67 ? 87 ARG D N 1 ATOM 3510 C CA . ARG D 1 86 ? -27.831 -5.165 -52.715 1.00 60.18 ? 87 ARG D CA 1 ATOM 3511 C C . ARG D 1 86 ? -26.695 -6.021 -53.343 1.00 60.09 ? 87 ARG D C 1 ATOM 3512 O O . ARG D 1 86 ? -26.943 -7.000 -54.059 1.00 59.49 ? 87 ARG D O 1 ATOM 3513 C CB . ARG D 1 86 ? -27.587 -3.646 -53.083 1.00 60.94 ? 87 ARG D CB 1 ATOM 3514 C CG . ARG D 1 86 ? -28.825 -2.804 -53.682 1.00 65.06 ? 87 ARG D CG 1 ATOM 3515 C CD . ARG D 1 86 ? -29.947 -2.401 -52.639 1.00 69.83 ? 87 ARG D CD 1 ATOM 3516 N NE . ARG D 1 86 ? -29.434 -1.768 -51.389 1.00 73.95 ? 87 ARG D NE 1 ATOM 3517 C CZ . ARG D 1 86 ? -29.608 -2.232 -50.131 1.00 72.67 ? 87 ARG D CZ 1 ATOM 3518 N NH1 . ARG D 1 86 ? -30.307 -3.336 -49.879 1.00 67.55 ? 87 ARG D NH1 1 ATOM 3519 N NH2 . ARG D 1 86 ? -29.083 -1.573 -49.108 1.00 70.47 ? 87 ARG D NH2 1 ATOM 3520 N N . ASN D 1 87 ? -25.451 -5.616 -53.057 1.00 60.94 ? 88 ASN D N 1 ATOM 3521 C CA . ASN D 1 87 ? -24.209 -6.165 -53.644 1.00 60.92 ? 88 ASN D CA 1 ATOM 3522 C C . ASN D 1 87 ? -23.800 -7.511 -53.081 1.00 59.19 ? 88 ASN D C 1 ATOM 3523 O O . ASN D 1 87 ? -22.709 -8.017 -53.413 1.00 59.98 ? 88 ASN D O 1 ATOM 3524 C CB . ASN D 1 87 ? -23.036 -5.212 -53.372 1.00 61.90 ? 88 ASN D CB 1 ATOM 3525 C CG . ASN D 1 87 ? -23.500 -3.810 -52.928 1.00 67.06 ? 88 ASN D CG 1 ATOM 3526 O OD1 . ASN D 1 87 ? -24.001 -3.008 -53.761 1.00 67.56 ? 88 ASN D OD1 1 ATOM 3527 N ND2 . ASN D 1 87 ? -23.349 -3.511 -51.605 1.00 67.30 ? 88 ASN D ND2 1 ATOM 3528 N N . GLY D 1 88 ? -24.632 -8.066 -52.193 1.00 56.71 ? 89 GLY D N 1 ATOM 3529 C CA . GLY D 1 88 ? -24.306 -9.304 -51.491 1.00 52.91 ? 89 GLY D CA 1 ATOM 3530 C C . GLY D 1 88 ? -23.389 -9.098 -50.289 1.00 50.48 ? 89 GLY D C 1 ATOM 3531 O O . GLY D 1 88 ? -22.804 -10.093 -49.799 1.00 48.93 ? 89 GLY D O 1 ATOM 3532 N N . LYS D 1 89 ? -23.282 -7.838 -49.798 1.00 47.17 ? 90 LYS D N 1 ATOM 3533 C CA . LYS D 1 89 ? -22.404 -7.473 -48.628 1.00 45.56 ? 90 LYS D CA 1 ATOM 3534 C C . LYS D 1 89 ? -22.999 -7.895 -47.252 1.00 40.64 ? 90 LYS D C 1 ATOM 3535 O O . LYS D 1 89 ? -24.129 -7.590 -46.957 1.00 40.42 ? 90 LYS D O 1 ATOM 3536 C CB . LYS D 1 89 ? -22.069 -5.982 -48.657 1.00 46.17 ? 90 LYS D CB 1 ATOM 3537 C CG . LYS D 1 89 ? -21.301 -5.484 -47.454 1.00 51.84 ? 90 LYS D CG 1 ATOM 3538 C CD . LYS D 1 89 ? -20.106 -4.675 -47.897 1.00 60.05 ? 90 LYS D CD 1 ATOM 3539 C CE . LYS D 1 89 ? -19.790 -3.578 -46.880 1.00 64.36 ? 90 LYS D CE 1 ATOM 3540 N NZ . LYS D 1 89 ? -19.526 -2.257 -47.615 1.00 66.94 ? 90 LYS D NZ 1 ATOM 3541 N N . GLU D 1 90 ? -22.245 -8.619 -46.431 1.00 35.64 ? 91 GLU D N 1 ATOM 3542 C CA . GLU D 1 90 ? -22.855 -9.201 -45.227 1.00 31.54 ? 91 GLU D CA 1 ATOM 3543 C C . GLU D 1 90 ? -22.417 -8.507 -43.945 1.00 27.91 ? 91 GLU D C 1 ATOM 3544 O O . GLU D 1 90 ? -21.303 -7.993 -43.851 1.00 28.73 ? 91 GLU D O 1 ATOM 3545 C CB . GLU D 1 90 ? -22.490 -10.682 -45.126 1.00 30.67 ? 91 GLU D CB 1 ATOM 3546 C CG . GLU D 1 90 ? -22.993 -11.494 -46.253 1.00 32.18 ? 91 GLU D CG 1 ATOM 3547 C CD . GLU D 1 90 ? -22.992 -12.952 -45.923 1.00 37.28 ? 91 GLU D CD 1 ATOM 3548 O OE1 . GLU D 1 90 ? -22.655 -13.320 -44.744 1.00 34.33 ? 91 GLU D OE1 1 ATOM 3549 O OE2 . GLU D 1 90 ? -23.374 -13.748 -46.777 1.00 34.16 ? 91 GLU D OE2 1 ATOM 3550 N N . VAL D 1 91 ? -23.299 -8.509 -42.940 1.00 27.73 ? 92 VAL D N 1 ATOM 3551 C CA . VAL D 1 91 ? -22.894 -7.961 -41.623 1.00 26.03 ? 92 VAL D CA 1 ATOM 3552 C C . VAL D 1 91 ? -23.610 -8.880 -40.632 1.00 23.15 ? 92 VAL D C 1 ATOM 3553 O O . VAL D 1 91 ? -24.773 -9.241 -40.804 1.00 22.38 ? 92 VAL D O 1 ATOM 3554 C CB . VAL D 1 91 ? -23.281 -6.484 -41.471 1.00 29.25 ? 92 VAL D CB 1 ATOM 3555 C CG1 . VAL D 1 91 ? -24.702 -6.367 -41.567 1.00 27.47 ? 92 VAL D CG1 1 ATOM 3556 C CG2 . VAL D 1 91 ? -22.790 -5.884 -40.103 1.00 26.71 ? 92 VAL D CG2 1 ATOM 3557 N N . LEU D 1 92 ? -22.916 -9.254 -39.549 1.00 22.63 ? 93 LEU D N 1 ATOM 3558 C CA . LEU D 1 92 ? -23.676 -10.065 -38.542 1.00 20.20 ? 93 LEU D CA 1 ATOM 3559 C C . LEU D 1 92 ? -23.906 -9.021 -37.398 1.00 20.39 ? 93 LEU D C 1 ATOM 3560 O O . LEU D 1 92 ? -22.907 -8.444 -36.881 1.00 20.02 ? 93 LEU D O 1 ATOM 3561 C CB . LEU D 1 92 ? -22.762 -11.185 -37.925 1.00 20.55 ? 93 LEU D CB 1 ATOM 3562 C CG . LEU D 1 92 ? -22.225 -12.105 -39.043 1.00 21.88 ? 93 LEU D CG 1 ATOM 3563 C CD1 . LEU D 1 92 ? -21.338 -13.133 -38.375 1.00 29.27 ? 93 LEU D CD1 1 ATOM 3564 C CD2 . LEU D 1 92 ? -23.389 -12.771 -39.764 1.00 23.95 ? 93 LEU D CD2 1 ATOM 3565 N N . LYS D 1 93 ? -25.137 -8.825 -36.970 1.00 19.63 ? 94 LYS D N 1 ATOM 3566 C CA . LYS D 1 93 ? -25.365 -7.876 -35.845 1.00 20.34 ? 94 LYS D CA 1 ATOM 3567 C C . LYS D 1 93 ? -25.598 -8.814 -34.668 1.00 19.13 ? 94 LYS D C 1 ATOM 3568 O O . LYS D 1 93 ? -26.486 -9.566 -34.696 1.00 19.67 ? 94 LYS D O 1 ATOM 3569 C CB . LYS D 1 93 ? -26.600 -7.030 -36.106 1.00 21.59 ? 94 LYS D CB 1 ATOM 3570 C CG . LYS D 1 93 ? -26.288 -6.126 -37.329 1.00 24.55 ? 94 LYS D CG 1 ATOM 3571 C CD . LYS D 1 93 ? -26.700 -4.640 -37.295 1.00 33.69 ? 94 LYS D CD 1 ATOM 3572 C CE . LYS D 1 93 ? -25.990 -3.830 -36.318 1.00 44.48 ? 94 LYS D CE 1 ATOM 3573 N NZ . LYS D 1 93 ? -26.886 -2.658 -36.023 1.00 37.95 ? 94 LYS D NZ 1 ATOM 3574 N N . THR D 1 94 ? -24.778 -8.756 -33.615 1.00 19.33 ? 95 THR D N 1 ATOM 3575 C CA . THR D 1 94 ? -25.040 -9.702 -32.531 1.00 18.77 ? 95 THR D CA 1 ATOM 3576 C C . THR D 1 94 ? -25.031 -8.894 -31.184 1.00 16.54 ? 95 THR D C 1 ATOM 3577 O O . THR D 1 94 ? -24.545 -7.783 -31.114 1.00 18.23 ? 95 THR D O 1 ATOM 3578 C CB . THR D 1 94 ? -23.861 -10.727 -32.380 1.00 19.28 ? 95 THR D CB 1 ATOM 3579 O OG1 . THR D 1 94 ? -22.663 -10.058 -31.988 1.00 20.80 ? 95 THR D OG1 1 ATOM 3580 C CG2 . THR D 1 94 ? -23.553 -11.336 -33.771 1.00 22.98 ? 95 THR D CG2 1 ATOM 3581 N N . MET D 1 95 ? -25.602 -9.536 -30.197 1.00 16.01 ? 96 MET D N 1 ATOM 3582 C CA . MET D 1 95 ? -25.418 -9.165 -28.808 1.00 16.17 ? 96 MET D CA 1 ATOM 3583 C C . MET D 1 95 ? -24.818 -10.449 -28.035 1.00 16.25 ? 96 MET D C 1 ATOM 3584 O O . MET D 1 95 ? -25.002 -11.582 -28.480 1.00 15.47 ? 96 MET D O 1 ATOM 3585 C CB . MET D 1 95 ? -26.738 -8.735 -28.152 1.00 16.50 ? 96 MET D CB 1 ATOM 3586 C CG . MET D 1 95 ? -27.188 -7.468 -28.792 1.00 21.57 ? 96 MET D CG 1 ATOM 3587 S SD . MET D 1 95 ? -28.363 -6.563 -27.811 1.00 23.63 ? 96 MET D SD 1 ATOM 3588 C CE . MET D 1 95 ? -27.268 -6.174 -26.391 1.00 22.09 ? 96 MET D CE 1 ATOM 3589 N N . TRP D 1 96 ? -24.164 -10.177 -26.867 1.00 16.09 ? 97 TRP D N 1 ATOM 3590 C CA . TRP D 1 96 ? -23.393 -11.252 -26.180 1.00 14.81 ? 97 TRP D CA 1 ATOM 3591 C C . TRP D 1 96 ? -23.513 -11.061 -24.698 1.00 14.96 ? 97 TRP D C 1 ATOM 3592 O O . TRP D 1 96 ? -23.835 -9.935 -24.194 1.00 12.19 ? 97 TRP D O 1 ATOM 3593 C CB . TRP D 1 96 ? -21.862 -11.166 -26.574 1.00 14.58 ? 97 TRP D CB 1 ATOM 3594 C CG . TRP D 1 96 ? -21.236 -9.917 -26.434 1.00 14.20 ? 97 TRP D CG 1 ATOM 3595 C CD1 . TRP D 1 96 ? -20.966 -9.068 -27.462 1.00 15.74 ? 97 TRP D CD1 1 ATOM 3596 C CD2 . TRP D 1 96 ? -20.637 -9.334 -25.261 1.00 13.98 ? 97 TRP D CD2 1 ATOM 3597 N NE1 . TRP D 1 96 ? -20.331 -7.968 -27.023 1.00 14.71 ? 97 TRP D NE1 1 ATOM 3598 C CE2 . TRP D 1 96 ? -20.104 -8.078 -25.662 1.00 16.74 ? 97 TRP D CE2 1 ATOM 3599 C CE3 . TRP D 1 96 ? -20.588 -9.713 -23.902 1.00 15.34 ? 97 TRP D CE3 1 ATOM 3600 C CZ2 . TRP D 1 96 ? -19.423 -7.215 -24.787 1.00 14.71 ? 97 TRP D CZ2 1 ATOM 3601 C CZ3 . TRP D 1 96 ? -19.907 -8.848 -22.992 1.00 16.05 ? 97 TRP D CZ3 1 ATOM 3602 C CH2 . TRP D 1 96 ? -19.336 -7.587 -23.457 1.00 14.91 ? 97 TRP D CH2 1 ATOM 3603 N N . LEU D 1 97 ? -23.362 -12.189 -24.017 1.00 14.12 ? 98 LEU D N 1 ATOM 3604 C CA . LEU D 1 97 ? -23.280 -12.168 -22.515 1.00 11.23 ? 98 LEU D CA 1 ATOM 3605 C C . LEU D 1 97 ? -21.952 -12.898 -22.274 1.00 12.87 ? 98 LEU D C 1 ATOM 3606 O O . LEU D 1 97 ? -21.750 -13.989 -22.768 1.00 13.92 ? 98 LEU D O 1 ATOM 3607 C CB . LEU D 1 97 ? -24.468 -13.003 -21.935 1.00 12.84 ? 98 LEU D CB 1 ATOM 3608 C CG . LEU D 1 97 ? -25.878 -12.426 -22.081 1.00 12.88 ? 98 LEU D CG 1 ATOM 3609 C CD1 . LEU D 1 97 ? -26.864 -13.518 -21.546 1.00 13.39 ? 98 LEU D CD1 1 ATOM 3610 C CD2 . LEU D 1 97 ? -25.963 -11.045 -21.389 1.00 13.30 ? 98 LEU D CD2 1 ATOM 3611 N N . LEU D 1 98 ? -21.135 -12.271 -21.385 1.00 12.74 ? 99 LEU D N 1 ATOM 3612 C CA . LEU D 1 98 ? -19.769 -12.885 -20.994 1.00 13.17 ? 99 LEU D CA 1 ATOM 3613 C C . LEU D 1 98 ? -20.007 -13.265 -19.566 1.00 12.14 ? 99 LEU D C 1 ATOM 3614 O O . LEU D 1 98 ? -20.311 -12.375 -18.693 1.00 16.17 ? 99 LEU D O 1 ATOM 3615 C CB . LEU D 1 98 ? -18.726 -11.787 -21.093 1.00 13.24 ? 99 LEU D CB 1 ATOM 3616 C CG . LEU D 1 98 ? -17.395 -12.170 -20.275 1.00 19.23 ? 99 LEU D CG 1 ATOM 3617 C CD1 . LEU D 1 98 ? -16.815 -13.439 -20.893 1.00 17.72 ? 99 LEU D CD1 1 ATOM 3618 C CD2 . LEU D 1 98 ? -16.447 -10.996 -20.575 1.00 21.49 ? 99 LEU D CD2 1 ATOM 3619 N N . ARG D 1 99 ? -19.921 -14.535 -19.271 1.00 13.18 ? 100 ARG D N 1 ATOM 3620 C CA . ARG D 1 99 ? -20.189 -15.037 -17.952 1.00 12.28 ? 100 ARG D CA 1 ATOM 3621 C C . ARG D 1 99 ? -18.835 -15.314 -17.292 1.00 13.43 ? 100 ARG D C 1 ATOM 3622 O O . ARG D 1 99 ? -18.124 -16.117 -17.764 1.00 14.66 ? 100 ARG D O 1 ATOM 3623 C CB . ARG D 1 99 ? -20.971 -16.343 -18.017 1.00 11.43 ? 100 ARG D CB 1 ATOM 3624 C CG . ARG D 1 99 ? -21.034 -17.106 -16.718 1.00 13.81 ? 100 ARG D CG 1 ATOM 3625 C CD . ARG D 1 99 ? -21.826 -16.413 -15.652 1.00 18.02 ? 100 ARG D CD 1 ATOM 3626 N NE . ARG D 1 99 ? -21.565 -16.842 -14.296 1.00 16.59 ? 100 ARG D NE 1 ATOM 3627 C CZ . ARG D 1 99 ? -22.478 -16.845 -13.345 1.00 14.62 ? 100 ARG D CZ 1 ATOM 3628 N NH1 . ARG D 1 99 ? -23.714 -16.487 -13.603 1.00 15.62 ? 100 ARG D NH1 1 ATOM 3629 N NH2 . ARG D 1 99 ? -22.168 -17.233 -12.148 1.00 16.58 ? 100 ARG D NH2 1 ATOM 3630 N N . SER D 1 100 ? -18.537 -14.586 -16.242 1.00 13.03 ? 101 SER D N 1 ATOM 3631 C CA . SER D 1 100 ? -17.302 -14.868 -15.451 1.00 16.84 ? 101 SER D CA 1 ATOM 3632 C C . SER D 1 100 ? -17.646 -15.940 -14.447 1.00 17.13 ? 101 SER D C 1 ATOM 3633 O O . SER D 1 100 ? -18.785 -16.135 -14.029 1.00 16.60 ? 101 SER D O 1 ATOM 3634 C CB . SER D 1 100 ? -16.966 -13.589 -14.705 1.00 18.04 ? 101 SER D CB 1 ATOM 3635 O OG . SER D 1 100 ? -16.560 -12.604 -15.678 1.00 23.68 ? 101 SER D OG 1 ATOM 3636 N N . SER D 1 101 ? -16.570 -16.620 -13.986 1.00 17.66 ? 102 SER D N 1 ATOM 3637 C CA . SER D 1 101 ? -16.700 -17.576 -12.906 1.00 19.22 ? 102 SER D CA 1 ATOM 3638 C C . SER D 1 101 ? -16.560 -16.827 -11.587 1.00 19.19 ? 102 SER D C 1 ATOM 3639 O O . SER D 1 101 ? -15.551 -16.105 -11.425 1.00 21.93 ? 102 SER D O 1 ATOM 3640 C CB . SER D 1 101 ? -15.475 -18.585 -13.002 1.00 20.95 ? 102 SER D CB 1 ATOM 3641 O OG . SER D 1 101 ? -15.485 -19.530 -11.869 1.00 21.17 ? 102 SER D OG 1 ATOM 3642 N N . VAL D 1 102 ? -17.444 -17.104 -10.647 1.00 17.13 ? 103 VAL D N 1 ATOM 3643 C CA . VAL D 1 102 ? -17.368 -16.624 -9.296 1.00 20.54 ? 103 VAL D CA 1 ATOM 3644 C C . VAL D 1 102 ? -17.185 -17.841 -8.347 1.00 23.45 ? 103 VAL D C 1 ATOM 3645 O O . VAL D 1 102 ? -17.623 -18.945 -8.645 1.00 22.01 ? 103 VAL D O 1 ATOM 3646 C CB . VAL D 1 102 ? -18.433 -15.631 -8.880 1.00 19.23 ? 103 VAL D CB 1 ATOM 3647 C CG1 . VAL D 1 102 ? -18.362 -14.358 -9.765 1.00 19.76 ? 103 VAL D CG1 1 ATOM 3648 C CG2 . VAL D 1 102 ? -19.844 -16.277 -8.950 1.00 18.13 ? 103 VAL D CG2 1 ATOM 3649 N N . ASN D 1 103 ? -16.524 -17.649 -7.201 1.00 26.00 ? 104 ASN D N 1 ATOM 3650 C CA . ASN D 1 103 ? -16.336 -18.829 -6.367 1.00 30.59 ? 104 ASN D CA 1 ATOM 3651 C C . ASN D 1 103 ? -17.541 -19.088 -5.507 1.00 31.16 ? 104 ASN D C 1 ATOM 3652 O O . ASN D 1 103 ? -17.850 -20.237 -5.178 1.00 31.16 ? 104 ASN D O 1 ATOM 3653 C CB . ASN D 1 103 ? -15.106 -18.600 -5.436 1.00 33.49 ? 104 ASN D CB 1 ATOM 3654 C CG . ASN D 1 103 ? -13.769 -18.568 -6.221 1.00 38.22 ? 104 ASN D CG 1 ATOM 3655 O OD1 . ASN D 1 103 ? -13.504 -19.404 -7.055 1.00 45.83 ? 104 ASN D OD1 1 ATOM 3656 N ND2 . ASN D 1 103 ? -12.974 -17.559 -5.957 1.00 46.24 ? 104 ASN D ND2 1 ATOM 3657 N N . ASP D 1 104 ? -18.275 -18.031 -5.122 1.00 30.03 ? 105 ASP D N 1 ATOM 3658 C CA . ASP D 1 104 ? -19.388 -18.232 -4.205 1.00 30.03 ? 105 ASP D CA 1 ATOM 3659 C C . ASP D 1 104 ? -20.651 -17.839 -4.910 1.00 28.42 ? 105 ASP D C 1 ATOM 3660 O O . ASP D 1 104 ? -20.636 -16.823 -5.610 1.00 24.67 ? 105 ASP D O 1 ATOM 3661 C CB . ASP D 1 104 ? -19.216 -17.348 -2.938 1.00 33.10 ? 105 ASP D CB 1 ATOM 3662 C CG . ASP D 1 104 ? -20.236 -17.748 -1.808 1.00 42.50 ? 105 ASP D CG 1 ATOM 3663 O OD1 . ASP D 1 104 ? -19.985 -18.775 -1.050 1.00 53.52 ? 105 ASP D OD1 1 ATOM 3664 O OD2 . ASP D 1 104 ? -21.320 -17.104 -1.658 1.00 46.25 ? 105 ASP D OD2 1 ATOM 3665 N N . ILE D 1 105 ? -21.693 -18.642 -4.757 1.00 24.48 ? 106 ILE D N 1 ATOM 3666 C CA . ILE D 1 105 ? -22.982 -18.336 -5.313 1.00 25.18 ? 106 ILE D CA 1 ATOM 3667 C C . ILE D 1 105 ? -23.529 -16.911 -4.920 1.00 25.55 ? 106 ILE D C 1 ATOM 3668 O O . ILE D 1 105 ? -24.337 -16.308 -5.650 1.00 23.78 ? 106 ILE D O 1 ATOM 3669 C CB . ILE D 1 105 ? -23.946 -19.450 -5.029 1.00 25.43 ? 106 ILE D CB 1 ATOM 3670 C CG1 . ILE D 1 105 ? -25.173 -19.350 -5.939 1.00 23.83 ? 106 ILE D CG1 1 ATOM 3671 C CG2 . ILE D 1 105 ? -24.369 -19.409 -3.510 1.00 25.41 ? 106 ILE D CG2 1 ATOM 3672 C CD1 . ILE D 1 105 ? -25.966 -20.694 -6.011 1.00 26.54 ? 106 ILE D CD1 1 ATOM 3673 N N . GLY D 1 106 ? -23.075 -16.386 -3.765 1.00 24.22 ? 107 GLY D N 1 ATOM 3674 C CA . GLY D 1 106 ? -23.605 -15.077 -3.334 1.00 24.86 ? 107 GLY D CA 1 ATOM 3675 C C . GLY D 1 106 ? -23.090 -14.003 -4.287 1.00 22.81 ? 107 GLY D C 1 ATOM 3676 O O . GLY D 1 106 ? -23.659 -12.899 -4.256 1.00 23.90 ? 107 GLY D O 1 ATOM 3677 N N . ASP D 1 107 ? -22.036 -14.266 -5.080 1.00 19.53 ? 108 ASP D N 1 ATOM 3678 C CA . ASP D 1 107 ? -21.500 -13.256 -5.945 1.00 20.61 ? 108 ASP D CA 1 ATOM 3679 C C . ASP D 1 107 ? -22.076 -13.399 -7.409 1.00 18.64 ? 108 ASP D C 1 ATOM 3680 O O . ASP D 1 107 ? -21.596 -12.720 -8.369 1.00 18.67 ? 108 ASP D O 1 ATOM 3681 C CB . ASP D 1 107 ? -20.021 -13.393 -6.039 1.00 19.90 ? 108 ASP D CB 1 ATOM 3682 C CG . ASP D 1 107 ? -19.306 -12.940 -4.702 1.00 25.83 ? 108 ASP D CG 1 ATOM 3683 O OD1 . ASP D 1 107 ? -19.803 -12.014 -4.058 1.00 29.16 ? 108 ASP D OD1 1 ATOM 3684 O OD2 . ASP D 1 107 ? -18.293 -13.532 -4.383 1.00 34.61 ? 108 ASP D OD2 1 ATOM 3685 N N . ASP D 1 108 ? -23.016 -14.328 -7.579 1.00 16.81 ? 109 ASP D N 1 ATOM 3686 C CA . ASP D 1 108 ? -23.561 -14.559 -8.936 1.00 16.91 ? 109 ASP D CA 1 ATOM 3687 C C . ASP D 1 108 ? -24.097 -13.283 -9.605 1.00 15.99 ? 109 ASP D C 1 ATOM 3688 O O . ASP D 1 108 ? -24.013 -13.145 -10.838 1.00 16.68 ? 109 ASP D O 1 ATOM 3689 C CB . ASP D 1 108 ? -24.724 -15.596 -8.784 1.00 17.52 ? 109 ASP D CB 1 ATOM 3690 C CG . ASP D 1 108 ? -25.334 -15.963 -10.125 1.00 20.26 ? 109 ASP D CG 1 ATOM 3691 O OD1 . ASP D 1 108 ? -24.651 -16.578 -10.926 1.00 17.23 ? 109 ASP D OD1 1 ATOM 3692 O OD2 . ASP D 1 108 ? -26.457 -15.517 -10.452 1.00 19.74 ? 109 ASP D OD2 1 ATOM 3693 N N . TRP D 1 109 ? -24.658 -12.378 -8.806 1.00 18.18 ? 110 TRP D N 1 ATOM 3694 C CA . TRP D 1 109 ? -25.339 -11.198 -9.327 1.00 18.83 ? 110 TRP D CA 1 ATOM 3695 C C . TRP D 1 109 ? -24.415 -10.379 -10.159 1.00 16.82 ? 110 TRP D C 1 ATOM 3696 O O . TRP D 1 109 ? -24.920 -9.725 -11.095 1.00 16.04 ? 110 TRP D O 1 ATOM 3697 C CB . TRP D 1 109 ? -25.886 -10.326 -8.186 1.00 16.16 ? 110 TRP D CB 1 ATOM 3698 C CG . TRP D 1 109 ? -24.798 -9.709 -7.370 1.00 18.85 ? 110 TRP D CG 1 ATOM 3699 C CD1 . TRP D 1 109 ? -24.163 -10.236 -6.259 1.00 18.71 ? 110 TRP D CD1 1 ATOM 3700 C CD2 . TRP D 1 109 ? -24.247 -8.413 -7.599 1.00 18.68 ? 110 TRP D CD2 1 ATOM 3701 N NE1 . TRP D 1 109 ? -23.131 -9.310 -5.811 1.00 16.22 ? 110 TRP D NE1 1 ATOM 3702 C CE2 . TRP D 1 109 ? -23.231 -8.182 -6.601 1.00 22.32 ? 110 TRP D CE2 1 ATOM 3703 C CE3 . TRP D 1 109 ? -24.399 -7.474 -8.608 1.00 18.62 ? 110 TRP D CE3 1 ATOM 3704 C CZ2 . TRP D 1 109 ? -22.455 -6.986 -6.558 1.00 21.70 ? 110 TRP D CZ2 1 ATOM 3705 C CZ3 . TRP D 1 109 ? -23.645 -6.255 -8.565 1.00 19.62 ? 110 TRP D CZ3 1 ATOM 3706 C CH2 . TRP D 1 109 ? -22.677 -6.043 -7.552 1.00 21.81 ? 110 TRP D CH2 1 ATOM 3707 N N . LYS D 1 110 ? -23.093 -10.462 -9.919 1.00 14.21 ? 111 LYS D N 1 ATOM 3708 C CA . LYS D 1 110 ? -22.168 -9.597 -10.682 1.00 15.19 ? 111 LYS D CA 1 ATOM 3709 C C . LYS D 1 110 ? -21.384 -10.255 -11.776 1.00 12.27 ? 111 LYS D C 1 ATOM 3710 O O . LYS D 1 110 ? -20.454 -9.701 -12.360 1.00 14.26 ? 111 LYS D O 1 ATOM 3711 C CB . LYS D 1 110 ? -21.233 -8.870 -9.686 1.00 17.67 ? 111 LYS D CB 1 ATOM 3712 C CG . LYS D 1 110 ? -20.158 -9.820 -9.069 1.00 17.27 ? 111 LYS D CG 1 ATOM 3713 C CD . LYS D 1 110 ? -19.396 -8.943 -7.954 1.00 22.96 ? 111 LYS D CD 1 ATOM 3714 C CE . LYS D 1 110 ? -18.321 -9.761 -7.134 1.00 33.69 ? 111 LYS D CE 1 ATOM 3715 N NZ . LYS D 1 110 ? -18.136 -8.759 -5.873 1.00 29.26 ? 111 LYS D NZ 1 ATOM 3716 N N . ALA D 1 111 ? -21.808 -11.500 -12.087 1.00 13.38 ? 112 ALA D N 1 ATOM 3717 C CA . ALA D 1 111 ? -21.025 -12.327 -12.971 1.00 13.53 ? 112 ALA D CA 1 ATOM 3718 C C . ALA D 1 111 ? -21.251 -12.215 -14.509 1.00 14.89 ? 112 ALA D C 1 ATOM 3719 O O . ALA D 1 111 ? -20.581 -12.848 -15.280 1.00 13.18 ? 112 ALA D O 1 ATOM 3720 C CB . ALA D 1 111 ? -21.170 -13.840 -12.526 1.00 14.98 ? 112 ALA D CB 1 ATOM 3721 N N . THR D 1 112 ? -22.249 -11.441 -14.901 1.00 13.14 ? 113 THR D N 1 ATOM 3722 C CA . THR D 1 112 ? -22.573 -11.409 -16.327 1.00 12.69 ? 113 THR D CA 1 ATOM 3723 C C . THR D 1 112 ? -22.476 -10.010 -16.910 1.00 14.64 ? 113 THR D C 1 ATOM 3724 O O . THR D 1 112 ? -23.213 -9.051 -16.455 1.00 14.96 ? 113 THR D O 1 ATOM 3725 C CB . THR D 1 112 ? -24.047 -11.841 -16.444 1.00 12.06 ? 113 THR D CB 1 ATOM 3726 O OG1 . THR D 1 112 ? -24.175 -13.151 -15.904 1.00 14.92 ? 113 THR D OG1 1 ATOM 3727 C CG2 . THR D 1 112 ? -24.318 -12.058 -17.977 1.00 12.56 ? 113 THR D CG2 1 ATOM 3728 N N . ARG D 1 113 ? -21.613 -9.857 -17.919 1.00 13.67 ? 114 ARG D N 1 ATOM 3729 C CA . ARG D 1 113 ? -21.517 -8.613 -18.666 1.00 13.36 ? 114 ARG D CA 1 ATOM 3730 C C . ARG D 1 113 ? -22.267 -8.747 -20.000 1.00 13.12 ? 114 ARG D C 1 ATOM 3731 O O . ARG D 1 113 ? -22.460 -9.864 -20.481 1.00 14.00 ? 114 ARG D O 1 ATOM 3732 C CB . ARG D 1 113 ? -20.074 -8.324 -19.075 1.00 14.65 ? 114 ARG D CB 1 ATOM 3733 C CG . ARG D 1 113 ? -19.238 -7.941 -17.839 1.00 15.62 ? 114 ARG D CG 1 ATOM 3734 C CD . ARG D 1 113 ? -17.829 -7.837 -18.377 1.00 15.88 ? 114 ARG D CD 1 ATOM 3735 N NE . ARG D 1 113 ? -16.873 -7.251 -17.385 1.00 21.53 ? 114 ARG D NE 1 ATOM 3736 C CZ . ARG D 1 113 ? -15.950 -7.991 -16.751 1.00 27.99 ? 114 ARG D CZ 1 ATOM 3737 N NH1 . ARG D 1 113 ? -15.901 -9.329 -16.834 1.00 23.18 ? 114 ARG D NH1 1 ATOM 3738 N NH2 . ARG D 1 113 ? -15.092 -7.385 -15.976 1.00 25.07 ? 114 ARG D NH2 1 ATOM 3739 N N . VAL D 1 114 ? -22.662 -7.645 -20.562 1.00 13.82 ? 115 VAL D N 1 ATOM 3740 C CA . VAL D 1 114 ? -23.468 -7.696 -21.819 1.00 12.18 ? 115 VAL D CA 1 ATOM 3741 C C . VAL D 1 114 ? -22.872 -6.652 -22.772 1.00 12.61 ? 115 VAL D C 1 ATOM 3742 O O . VAL D 1 114 ? -22.377 -5.586 -22.355 1.00 14.24 ? 115 VAL D O 1 ATOM 3743 C CB . VAL D 1 114 ? -25.013 -7.370 -21.440 1.00 12.17 ? 115 VAL D CB 1 ATOM 3744 C CG1 . VAL D 1 114 ? -25.160 -5.964 -20.794 1.00 13.00 ? 115 VAL D CG1 1 ATOM 3745 C CG2 . VAL D 1 114 ? -25.899 -7.566 -22.754 1.00 16.15 ? 115 VAL D CG2 1 ATOM 3746 N N . GLY D 1 115 ? -23.068 -6.888 -24.085 1.00 13.36 ? 116 GLY D N 1 ATOM 3747 C CA . GLY D 1 115 ? -22.570 -5.859 -25.037 1.00 14.24 ? 116 GLY D CA 1 ATOM 3748 C C . GLY D 1 115 ? -23.075 -6.258 -26.437 1.00 14.72 ? 116 GLY D C 1 ATOM 3749 O O . GLY D 1 115 ? -23.849 -7.249 -26.606 1.00 15.61 ? 116 GLY D O 1 ATOM 3750 N N . ILE D 1 116 ? -22.572 -5.511 -27.392 1.00 17.23 ? 117 ILE D N 1 ATOM 3751 C CA . ILE D 1 116 ? -22.859 -5.861 -28.813 1.00 19.26 ? 117 ILE D CA 1 ATOM 3752 C C . ILE D 1 116 ? -21.553 -6.213 -29.508 1.00 19.00 ? 117 ILE D C 1 ATOM 3753 O O . ILE D 1 116 ? -20.423 -5.822 -29.124 1.00 19.83 ? 117 ILE D O 1 ATOM 3754 C CB . ILE D 1 116 ? -23.520 -4.638 -29.563 1.00 22.74 ? 117 ILE D CB 1 ATOM 3755 C CG1 . ILE D 1 116 ? -22.612 -3.449 -29.543 1.00 19.56 ? 117 ILE D CG1 1 ATOM 3756 C CG2 . ILE D 1 116 ? -24.832 -4.306 -28.939 1.00 25.01 ? 117 ILE D CG2 1 ATOM 3757 C CD1 . ILE D 1 116 ? -22.462 -2.982 -30.972 1.00 33.41 ? 117 ILE D CD1 1 ATOM 3758 N N . ASN D 1 117 ? -21.685 -6.832 -30.709 1.00 20.18 ? 118 ASN D N 1 ATOM 3759 C CA . ASN D 1 117 ? -20.530 -7.035 -31.581 1.00 22.18 ? 118 ASN D CA 1 ATOM 3760 C C . ASN D 1 117 ? -21.160 -7.003 -33.020 1.00 20.20 ? 118 ASN D C 1 ATOM 3761 O O . ASN D 1 117 ? -22.103 -7.740 -33.349 1.00 24.00 ? 118 ASN D O 1 ATOM 3762 C CB . ASN D 1 117 ? -20.069 -8.454 -31.248 1.00 23.99 ? 118 ASN D CB 1 ATOM 3763 C CG . ASN D 1 117 ? -18.761 -8.806 -31.771 1.00 34.62 ? 118 ASN D CG 1 ATOM 3764 O OD1 . ASN D 1 117 ? -18.173 -8.070 -32.540 1.00 37.25 ? 118 ASN D OD1 1 ATOM 3765 N ND2 . ASN D 1 117 ? -18.239 -9.984 -31.311 1.00 36.95 ? 118 ASN D ND2 1 ATOM 3766 N N . ILE D 1 118 ? -20.574 -6.152 -33.846 1.00 20.15 ? 119 ILE D N 1 ATOM 3767 C CA . ILE D 1 118 ? -20.954 -6.226 -35.272 1.00 21.31 ? 119 ILE D CA 1 ATOM 3768 C C . ILE D 1 118 ? -19.733 -6.766 -36.084 1.00 18.85 ? 119 ILE D C 1 ATOM 3769 O O . ILE D 1 118 ? -18.585 -6.298 -35.958 1.00 21.13 ? 119 ILE D O 1 ATOM 3770 C CB . ILE D 1 118 ? -21.219 -4.748 -35.693 1.00 22.03 ? 119 ILE D CB 1 ATOM 3771 C CG1 . ILE D 1 118 ? -22.406 -4.274 -34.799 1.00 22.50 ? 119 ILE D CG1 1 ATOM 3772 C CG2 . ILE D 1 118 ? -21.466 -4.671 -37.240 1.00 22.79 ? 119 ILE D CG2 1 ATOM 3773 C CD1 . ILE D 1 118 ? -22.892 -2.899 -35.049 1.00 34.11 ? 119 ILE D CD1 1 ATOM 3774 N N . PHE D 1 119 ? -20.014 -7.824 -36.860 1.00 20.81 ? 120 PHE D N 1 ATOM 3775 C CA . PHE D 1 119 ? -18.911 -8.439 -37.632 1.00 19.93 ? 120 PHE D CA 1 ATOM 3776 C C . PHE D 1 119 ? -19.112 -8.201 -39.134 1.00 20.64 ? 120 PHE D C 1 ATOM 3777 O O . PHE D 1 119 ? -20.264 -8.266 -39.615 1.00 20.69 ? 120 PHE D O 1 ATOM 3778 C CB . PHE D 1 119 ? -19.009 -9.954 -37.475 1.00 18.94 ? 120 PHE D CB 1 ATOM 3779 C CG . PHE D 1 119 ? -18.738 -10.436 -36.067 1.00 23.85 ? 120 PHE D CG 1 ATOM 3780 C CD1 . PHE D 1 119 ? -19.823 -10.609 -35.190 1.00 26.02 ? 120 PHE D CD1 1 ATOM 3781 C CD2 . PHE D 1 119 ? -17.481 -10.793 -35.705 1.00 24.33 ? 120 PHE D CD2 1 ATOM 3782 C CE1 . PHE D 1 119 ? -19.646 -11.122 -33.892 1.00 28.18 ? 120 PHE D CE1 1 ATOM 3783 C CE2 . PHE D 1 119 ? -17.236 -11.433 -34.391 1.00 23.98 ? 120 PHE D CE2 1 ATOM 3784 C CZ . PHE D 1 119 ? -18.316 -11.538 -33.515 1.00 24.47 ? 120 PHE D CZ 1 ATOM 3785 N N . THR D 1 120 ? -18.009 -8.020 -39.820 1.00 22.98 ? 121 THR D N 1 ATOM 3786 C CA . THR D 1 120 ? -18.021 -7.895 -41.301 1.00 25.77 ? 121 THR D CA 1 ATOM 3787 C C . THR D 1 120 ? -17.059 -8.951 -41.806 1.00 27.09 ? 121 THR D C 1 ATOM 3788 O O . THR D 1 120 ? -16.076 -9.309 -41.098 1.00 25.87 ? 121 THR D O 1 ATOM 3789 C CB . THR D 1 120 ? -17.598 -6.488 -41.771 1.00 21.68 ? 121 THR D CB 1 ATOM 3790 O OG1 . THR D 1 120 ? -16.443 -6.057 -41.042 1.00 30.20 ? 121 THR D OG1 1 ATOM 3791 C CG2 . THR D 1 120 ? -18.735 -5.472 -41.428 1.00 28.08 ? 121 THR D CG2 1 ATOM 3792 N N . ARG D 1 121 ? -17.325 -9.402 -43.030 1.00 29.77 ? 122 ARG D N 1 ATOM 3793 C CA . ARG D 1 121 ? -16.414 -10.445 -43.598 1.00 34.98 ? 122 ARG D CA 1 ATOM 3794 C C . ARG D 1 121 ? -14.935 -9.893 -43.778 1.00 37.31 ? 122 ARG D C 1 ATOM 3795 O O . ARG D 1 121 ? -14.713 -8.720 -44.173 1.00 38.60 ? 122 ARG D O 1 ATOM 3796 C CB . ARG D 1 121 ? -17.078 -11.219 -44.779 1.00 38.16 ? 122 ARG D CB 1 ATOM 3797 C CG . ARG D 1 121 ? -16.906 -12.779 -44.578 1.00 40.84 ? 122 ARG D CG 1 ATOM 3798 C CD . ARG D 1 121 ? -18.141 -13.611 -44.845 1.00 49.04 ? 122 ARG D CD 1 ATOM 3799 N NE . ARG D 1 121 ? -18.782 -13.381 -46.147 1.00 48.67 ? 122 ARG D NE 1 ATOM 3800 C CZ . ARG D 1 121 ? -19.587 -14.276 -46.733 1.00 55.17 ? 122 ARG D CZ 1 ATOM 3801 N NH1 . ARG D 1 121 ? -19.858 -15.459 -46.136 1.00 53.13 ? 122 ARG D NH1 1 ATOM 3802 N NH2 . ARG D 1 121 ? -20.137 -13.998 -47.911 1.00 57.03 ? 122 ARG D NH2 1 ATOM 3803 N N . LEU D 1 122 ? -13.932 -10.709 -43.418 1.00 36.32 ? 123 LEU D N 1 ATOM 3804 C CA . LEU D 1 122 ? -12.546 -10.323 -43.441 1.00 39.79 ? 123 LEU D CA 1 ATOM 3805 C C . LEU D 1 122 ? -11.856 -11.072 -44.592 1.00 41.67 ? 123 LEU D C 1 ATOM 3806 O O . LEU D 1 122 ? -12.045 -12.280 -44.842 1.00 42.57 ? 123 LEU D O 1 ATOM 3807 C CB . LEU D 1 122 ? -11.814 -10.588 -42.105 1.00 38.02 ? 123 LEU D CB 1 ATOM 3808 C CG . LEU D 1 122 ? -10.339 -10.336 -41.945 1.00 40.14 ? 123 LEU D CG 1 ATOM 3809 C CD1 . LEU D 1 122 ? -9.954 -8.823 -42.269 1.00 41.10 ? 123 LEU D CD1 1 ATOM 3810 C CD2 . LEU D 1 122 ? -9.926 -10.801 -40.547 1.00 34.91 ? 123 LEU D CD2 1 ATOM 3811 O OXT . LEU D 1 122 ? -11.120 -10.428 -45.373 1.00 45.26 ? 123 LEU D OXT 1 HETATM 3812 N N1 . VHI E 2 . ? -33.132 3.624 -29.506 1.00 29.70 ? 1124 VHI A N1 1 HETATM 3813 S S1 . VHI E 2 . ? -35.364 3.383 -26.917 1.00 27.06 ? 1124 VHI A S1 1 HETATM 3814 C C2 . VHI E 2 . ? -36.312 2.956 -28.353 1.00 21.45 ? 1124 VHI A C2 1 HETATM 3815 N N2 . VHI E 2 . ? -35.091 4.546 -29.813 1.00 23.79 ? 1124 VHI A N2 1 HETATM 3816 C C3 . VHI E 2 . ? -33.785 4.765 -29.845 1.00 28.69 ? 1124 VHI A C3 1 HETATM 3817 O O3 . VHI E 2 . ? -33.344 5.833 -30.122 1.00 25.74 ? 1124 VHI A O3 1 HETATM 3818 C C4 . VHI E 2 . ? -35.359 3.145 -29.493 1.00 24.33 ? 1124 VHI A C4 1 HETATM 3819 C C5 . VHI E 2 . ? -33.984 2.589 -29.059 1.00 24.13 ? 1124 VHI A C5 1 HETATM 3820 C C6 . VHI E 2 . ? -34.002 2.317 -27.543 1.00 23.01 ? 1124 VHI A C6 1 HETATM 3821 C C7 . VHI E 2 . ? -37.577 3.876 -28.400 1.00 20.90 ? 1124 VHI A C7 1 HETATM 3822 C C8 . VHI E 2 . ? -38.651 3.316 -27.531 1.00 23.16 ? 1124 VHI A C8 1 HETATM 3823 C C9 . VHI E 2 . ? -39.974 4.167 -27.749 1.00 26.00 ? 1124 VHI A C9 1 HETATM 3824 C C10 . VHI E 2 . ? -41.139 3.706 -26.875 1.00 23.30 ? 1124 VHI A C10 1 HETATM 3825 C C11 . VHI E 2 . ? -41.682 2.413 -27.305 1.00 29.49 ? 1124 VHI A C11 1 HETATM 3826 O O11 . VHI E 2 . ? -41.482 1.989 -28.464 1.00 29.69 ? 1124 VHI A O11 1 HETATM 3827 O O12 . VHI E 2 . ? -42.295 1.708 -26.467 1.00 34.39 ? 1124 VHI A O12 1 HETATM 3828 C C17 . VHI E 2 . ? -31.835 3.262 -29.793 1.00 37.71 ? 1124 VHI A C17 1 HETATM 3829 O O18 . VHI E 2 . ? -30.903 4.106 -30.516 1.00 36.81 ? 1124 VHI A O18 1 HETATM 3830 O O19 . VHI E 2 . ? -31.412 2.101 -29.565 1.00 38.05 ? 1124 VHI A O19 1 HETATM 3831 C C20 . VHI E 2 . ? -29.485 3.697 -30.761 1.00 39.72 ? 1124 VHI A C20 1 HETATM 3832 C C21 . VHI E 2 . ? -29.256 2.977 -32.093 1.00 41.22 ? 1124 VHI A C21 1 HETATM 3833 C C22 . VHI E 2 . ? -28.482 3.562 -33.144 1.00 41.79 ? 1124 VHI A C22 1 HETATM 3834 C C23 . VHI E 2 . ? -28.273 2.883 -34.374 1.00 44.15 ? 1124 VHI A C23 1 HETATM 3835 C C24 . VHI E 2 . ? -28.838 1.606 -34.564 1.00 42.56 ? 1124 VHI A C24 1 HETATM 3836 C C25 . VHI E 2 . ? -29.600 1.018 -33.533 1.00 44.33 ? 1124 VHI A C25 1 HETATM 3837 C C26 . VHI E 2 . ? -29.818 1.705 -32.294 1.00 42.01 ? 1124 VHI A C26 1 HETATM 3838 C C1 . NAG F 3 . ? -32.889 15.199 -35.242 1.00 36.84 ? 1125 NAG A C1 1 HETATM 3839 C C2 . NAG F 3 . ? -34.243 14.936 -35.852 1.00 37.14 ? 1125 NAG A C2 1 HETATM 3840 C C3 . NAG F 3 . ? -33.998 15.124 -37.372 1.00 41.96 ? 1125 NAG A C3 1 HETATM 3841 C C4 . NAG F 3 . ? -33.453 16.554 -37.651 1.00 39.41 ? 1125 NAG A C4 1 HETATM 3842 C C5 . NAG F 3 . ? -32.168 16.736 -36.850 1.00 41.19 ? 1125 NAG A C5 1 HETATM 3843 C C6 . NAG F 3 . ? -31.564 18.084 -37.265 1.00 38.58 ? 1125 NAG A C6 1 HETATM 3844 C C7 . NAG F 3 . ? -36.028 13.354 -35.133 1.00 32.69 ? 1125 NAG A C7 1 HETATM 3845 C C8 . NAG F 3 . ? -36.449 11.901 -34.770 1.00 30.16 ? 1125 NAG A C8 1 HETATM 3846 N N2 . NAG F 3 . ? -34.784 13.552 -35.525 1.00 32.89 ? 1125 NAG A N2 1 HETATM 3847 O O3 . NAG F 3 . ? -35.270 14.893 -37.981 1.00 38.52 ? 1125 NAG A O3 1 HETATM 3848 O O4 . NAG F 3 . ? -33.140 16.818 -39.072 1.00 46.77 ? 1125 NAG A O4 1 HETATM 3849 O O5 . NAG F 3 . ? -32.569 16.572 -35.366 1.00 38.75 ? 1125 NAG A O5 1 HETATM 3850 O O6 . NAG F 3 . ? -32.231 19.083 -36.446 1.00 43.70 ? 1125 NAG A O6 1 HETATM 3851 O O7 . NAG F 3 . ? -36.828 14.289 -34.953 1.00 34.62 ? 1125 NAG A O7 1 HETATM 3852 S S . SO4 G 4 . ? -17.696 18.293 -29.457 1.00 31.83 ? 1126 SO4 A S 1 HETATM 3853 O O1 . SO4 G 4 . ? -16.868 18.706 -30.535 1.00 41.70 ? 1126 SO4 A O1 1 HETATM 3854 O O2 . SO4 G 4 . ? -18.983 18.054 -30.020 1.00 38.32 ? 1126 SO4 A O2 1 HETATM 3855 O O3 . SO4 G 4 . ? -16.956 17.109 -29.052 1.00 35.57 ? 1126 SO4 A O3 1 HETATM 3856 O O4 . SO4 G 4 . ? -17.669 19.342 -28.444 1.00 36.81 ? 1126 SO4 A O4 1 HETATM 3857 S S . SO4 H 4 . ? -9.621 12.064 -14.636 1.00 63.87 ? 1127 SO4 A S 1 HETATM 3858 O O1 . SO4 H 4 . ? -11.031 11.930 -14.226 1.00 60.72 ? 1127 SO4 A O1 1 HETATM 3859 O O2 . SO4 H 4 . ? -9.471 11.894 -16.089 1.00 63.71 ? 1127 SO4 A O2 1 HETATM 3860 O O3 . SO4 H 4 . ? -8.706 11.033 -14.136 1.00 60.04 ? 1127 SO4 A O3 1 HETATM 3861 O O4 . SO4 H 4 . ? -9.305 13.420 -14.156 1.00 60.93 ? 1127 SO4 A O4 1 HETATM 3862 N N1 . VHI I 2 . ? -28.456 -5.583 -6.818 1.00 28.79 ? 1124 VHI B N1 1 HETATM 3863 S S1 . VHI I 2 . ? -26.999 -2.877 -8.266 1.00 25.42 ? 1124 VHI B S1 1 HETATM 3864 C C2 . VHI I 2 . ? -25.633 -3.731 -7.330 1.00 22.85 ? 1124 VHI B C2 1 HETATM 3865 N N2 . VHI I 2 . ? -27.070 -4.434 -5.474 1.00 23.34 ? 1124 VHI B N2 1 HETATM 3866 C C3 . VHI I 2 . ? -28.289 -4.894 -5.596 1.00 27.35 ? 1124 VHI B C3 1 HETATM 3867 O O3 . VHI I 2 . ? -29.069 -4.689 -4.722 1.00 27.29 ? 1124 VHI B O3 1 HETATM 3868 C C4 . VHI I 2 . ? -26.267 -4.844 -6.671 1.00 20.98 ? 1124 VHI B C4 1 HETATM 3869 C C5 . VHI I 2 . ? -27.267 -5.420 -7.673 1.00 27.17 ? 1124 VHI B C5 1 HETATM 3870 C C6 . VHI I 2 . ? -27.570 -4.469 -8.763 1.00 20.34 ? 1124 VHI B C6 1 HETATM 3871 C C7 . VHI I 2 . ? -24.909 -2.697 -6.410 1.00 20.90 ? 1124 VHI B C7 1 HETATM 3872 C C8 . VHI I 2 . ? -23.868 -1.943 -7.227 1.00 17.67 ? 1124 VHI B C8 1 HETATM 3873 C C9 . VHI I 2 . ? -23.216 -1.016 -6.139 1.00 21.46 ? 1124 VHI B C9 1 HETATM 3874 C C10 . VHI I 2 . ? -22.251 0.001 -6.829 1.00 23.70 ? 1124 VHI B C10 1 HETATM 3875 C C11 . VHI I 2 . ? -21.027 -0.673 -7.362 1.00 32.04 ? 1124 VHI B C11 1 HETATM 3876 O O11 . VHI I 2 . ? -20.305 -0.108 -8.255 1.00 30.48 ? 1124 VHI B O11 1 HETATM 3877 O O12 . VHI I 2 . ? -20.714 -1.803 -6.889 1.00 31.20 ? 1124 VHI B O12 1 HETATM 3878 C C17 . VHI I 2 . ? -29.218 -6.622 -7.129 1.00 36.96 ? 1124 VHI B C17 1 HETATM 3879 O O18 . VHI I 2 . ? -30.053 -7.232 -6.152 1.00 38.90 ? 1124 VHI B O18 1 HETATM 3880 O O19 . VHI I 2 . ? -29.139 -7.321 -8.208 1.00 36.18 ? 1124 VHI B O19 1 HETATM 3881 C C20 . VHI I 2 . ? -31.288 -7.724 -6.730 1.00 44.47 ? 1124 VHI B C20 1 HETATM 3882 C C21 . VHI I 2 . ? -31.802 -9.054 -6.408 1.00 47.47 ? 1124 VHI B C21 1 HETATM 3883 C C22 . VHI I 2 . ? -33.225 -9.098 -6.530 1.00 47.82 ? 1124 VHI B C22 1 HETATM 3884 C C23 . VHI I 2 . ? -33.954 -10.214 -6.345 1.00 29.77 ? 1124 VHI B C23 1 HETATM 3885 C C24 . VHI I 2 . ? -33.204 -11.341 -5.961 1.00 46.16 ? 1124 VHI B C24 1 HETATM 3886 C C25 . VHI I 2 . ? -31.802 -11.361 -5.838 1.00 44.06 ? 1124 VHI B C25 1 HETATM 3887 C C26 . VHI I 2 . ? -31.033 -10.189 -6.060 1.00 49.64 ? 1124 VHI B C26 1 HETATM 3888 C C1 . NAG J 3 . ? -32.630 -3.720 5.259 1.00 35.09 ? 1125 NAG B C1 1 HETATM 3889 C C2 . NAG J 3 . ? -31.191 -3.770 5.759 1.00 36.49 ? 1125 NAG B C2 1 HETATM 3890 C C3 . NAG J 3 . ? -31.050 -4.915 6.818 1.00 39.72 ? 1125 NAG B C3 1 HETATM 3891 C C4 . NAG J 3 . ? -32.053 -4.751 7.950 1.00 38.64 ? 1125 NAG B C4 1 HETATM 3892 C C5 . NAG J 3 . ? -33.421 -4.699 7.286 1.00 38.38 ? 1125 NAG B C5 1 HETATM 3893 C C6 . NAG J 3 . ? -34.541 -4.763 8.301 1.00 41.06 ? 1125 NAG B C6 1 HETATM 3894 C C7 . NAG J 3 . ? -29.196 -3.377 4.416 1.00 38.20 ? 1125 NAG B C7 1 HETATM 3895 C C8 . NAG J 3 . ? -28.327 -3.783 3.219 1.00 38.87 ? 1125 NAG B C8 1 HETATM 3896 N N2 . NAG J 3 . ? -30.279 -4.074 4.620 1.00 40.32 ? 1125 NAG B N2 1 HETATM 3897 O O3 . NAG J 3 . ? -29.738 -4.837 7.360 1.00 42.34 ? 1125 NAG B O3 1 HETATM 3898 O O4 . NAG J 3 . ? -31.840 -5.868 8.931 1.00 47.12 ? 1125 NAG B O4 1 HETATM 3899 O O5 . NAG J 3 . ? -33.601 -3.467 6.311 1.00 38.37 ? 1125 NAG B O5 1 HETATM 3900 O O6 . NAG J 3 . ? -34.670 -3.418 8.598 1.00 40.99 ? 1125 NAG B O6 1 HETATM 3901 O O7 . NAG J 3 . ? -28.914 -2.418 5.120 1.00 41.87 ? 1125 NAG B O7 1 HETATM 3902 S S . SO4 K 4 . ? -36.005 3.942 6.918 1.00 32.58 ? 1126 SO4 B S 1 HETATM 3903 O O1 . SO4 K 4 . ? -35.147 3.595 5.838 1.00 40.98 ? 1126 SO4 B O1 1 HETATM 3904 O O2 . SO4 K 4 . ? -36.885 4.994 6.371 1.00 34.54 ? 1126 SO4 B O2 1 HETATM 3905 O O3 . SO4 K 4 . ? -35.056 4.433 7.887 1.00 39.03 ? 1126 SO4 B O3 1 HETATM 3906 O O4 . SO4 K 4 . ? -36.855 2.871 7.458 1.00 36.49 ? 1126 SO4 B O4 1 HETATM 3907 S S . SO4 L 4 . ? -55.811 -1.401 -15.981 1.00 66.87 ? 1127 SO4 B S 1 HETATM 3908 O O1 . SO4 L 4 . ? -56.322 -1.787 -17.275 1.00 69.96 ? 1127 SO4 B O1 1 HETATM 3909 O O2 . SO4 L 4 . ? -54.717 -0.449 -16.053 1.00 66.01 ? 1127 SO4 B O2 1 HETATM 3910 O O3 . SO4 L 4 . ? -55.361 -2.632 -15.382 1.00 71.56 ? 1127 SO4 B O3 1 HETATM 3911 O O4 . SO4 L 4 . ? -56.866 -0.788 -15.181 1.00 69.44 ? 1127 SO4 B O4 1 HETATM 3912 N N1 . VHI M 2 . ? -37.384 -18.844 -20.601 1.00 33.00 ? 1124 VHI C N1 1 HETATM 3913 S S1 . VHI M 2 . ? -36.210 -18.533 -23.920 1.00 26.56 ? 1124 VHI C S1 1 HETATM 3914 C C2 . VHI M 2 . ? -38.007 -18.333 -24.084 1.00 25.60 ? 1124 VHI C C2 1 HETATM 3915 N N2 . VHI M 2 . ? -38.633 -19.833 -22.115 1.00 28.20 ? 1124 VHI C N2 1 HETATM 3916 C C3 . VHI M 2 . ? -37.985 -20.024 -20.939 1.00 31.22 ? 1124 VHI C C3 1 HETATM 3917 O O3 . VHI M 2 . ? -37.986 -21.114 -20.329 1.00 28.46 ? 1124 VHI C O3 1 HETATM 3918 C C4 . VHI M 2 . ? -38.417 -18.482 -22.648 1.00 24.89 ? 1124 VHI C C4 1 HETATM 3919 C C5 . VHI M 2 . ? -37.355 -17.838 -21.667 1.00 28.77 ? 1124 VHI C C5 1 HETATM 3920 C C6 . VHI M 2 . ? -36.038 -17.574 -22.369 1.00 25.97 ? 1124 VHI C C6 1 HETATM 3921 C C7 . VHI M 2 . ? -38.636 -19.308 -25.172 1.00 22.03 ? 1124 VHI C C7 1 HETATM 3922 C C8 . VHI M 2 . ? -38.422 -18.636 -26.485 1.00 23.95 ? 1124 VHI C C8 1 HETATM 3923 C C9 . VHI M 2 . ? -39.066 -19.498 -27.609 1.00 22.06 ? 1124 VHI C C9 1 HETATM 3924 C C10 . VHI M 2 . ? -38.914 -18.971 -29.069 1.00 23.44 ? 1124 VHI C C10 1 HETATM 3925 C C11 . VHI M 2 . ? -39.630 -17.652 -29.225 1.00 31.46 ? 1124 VHI C C11 1 HETATM 3926 O O11 . VHI M 2 . ? -39.271 -16.773 -30.017 1.00 32.74 ? 1124 VHI C O11 1 HETATM 3927 O O12 . VHI M 2 . ? -40.557 -17.415 -28.422 1.00 33.16 ? 1124 VHI C O12 1 HETATM 3928 C C17 . VHI M 2 . ? -37.218 -18.355 -19.355 1.00 41.05 ? 1124 VHI C C17 1 HETATM 3929 O O18 . VHI M 2 . ? -37.551 -19.110 -18.203 1.00 46.23 ? 1124 VHI C O18 1 HETATM 3930 O O19 . VHI M 2 . ? -36.866 -17.186 -19.095 1.00 37.90 ? 1124 VHI C O19 1 HETATM 3931 C C20 . VHI M 2 . ? -37.046 -18.717 -16.884 1.00 51.28 ? 1124 VHI C C20 1 HETATM 3932 C C21 . VHI M 2 . ? -38.111 -18.039 -16.006 1.00 53.14 ? 1124 VHI C C21 1 HETATM 3933 C C22 . VHI M 2 . ? -38.609 -18.659 -14.829 1.00 55.63 ? 1124 VHI C C22 1 HETATM 3934 C C23 . VHI M 2 . ? -39.584 -18.042 -14.026 1.00 56.58 ? 1124 VHI C C23 1 HETATM 3935 C C24 . VHI M 2 . ? -40.069 -16.779 -14.377 1.00 55.59 ? 1124 VHI C C24 1 HETATM 3936 C C25 . VHI M 2 . ? -39.586 -16.159 -15.534 1.00 54.53 ? 1124 VHI C C25 1 HETATM 3937 C C26 . VHI M 2 . ? -38.610 -16.773 -16.339 1.00 54.63 ? 1124 VHI C C26 1 HETATM 3938 C C1 . NAG N 3 . ? -42.173 -30.079 -17.403 1.00 41.48 ? 1125 NAG C C1 1 HETATM 3939 C C2 . NAG N 3 . ? -43.207 -29.931 -18.449 1.00 40.53 ? 1125 NAG C C2 1 HETATM 3940 C C3 . NAG N 3 . ? -44.572 -30.105 -17.671 1.00 45.58 ? 1125 NAG C C3 1 HETATM 3941 C C4 . NAG N 3 . ? -44.610 -31.519 -17.026 1.00 43.73 ? 1125 NAG C C4 1 HETATM 3942 C C5 . NAG N 3 . ? -43.252 -31.828 -16.275 1.00 46.60 ? 1125 NAG C C5 1 HETATM 3943 C C6 . NAG N 3 . ? -43.202 -33.369 -16.012 1.00 43.61 ? 1125 NAG C C6 1 HETATM 3944 C C7 . NAG N 3 . ? -43.393 -28.436 -20.330 1.00 36.65 ? 1125 NAG C C7 1 HETATM 3945 C C8 . NAG N 3 . ? -43.221 -27.016 -20.808 1.00 34.66 ? 1125 NAG C C8 1 HETATM 3946 N N2 . NAG N 3 . ? -43.115 -28.600 -19.064 1.00 39.07 ? 1125 NAG C N2 1 HETATM 3947 O O3 . NAG N 3 . ? -45.725 -29.857 -18.517 1.00 46.39 ? 1125 NAG C O3 1 HETATM 3948 O O4 . NAG N 3 . ? -45.770 -31.649 -16.147 1.00 51.94 ? 1125 NAG C O4 1 HETATM 3949 O O5 . NAG N 3 . ? -42.008 -31.438 -17.028 1.00 43.29 ? 1125 NAG C O5 1 HETATM 3950 O O6 . NAG N 3 . ? -42.347 -33.474 -14.888 1.00 51.07 ? 1125 NAG C O6 1 HETATM 3951 O O7 . NAG N 3 . ? -43.827 -29.341 -21.091 1.00 43.54 ? 1125 NAG C O7 1 HETATM 3952 S S . SO4 O 4 . ? -12.718 -25.851 -7.131 1.00 57.71 ? 1127 SO4 C S 1 HETATM 3953 O O1 . SO4 O 4 . ? -13.107 -25.804 -8.562 1.00 55.49 ? 1127 SO4 C O1 1 HETATM 3954 O O2 . SO4 O 4 . ? -11.551 -26.749 -7.194 1.00 58.00 ? 1127 SO4 C O2 1 HETATM 3955 O O3 . SO4 O 4 . ? -12.553 -24.531 -6.543 1.00 54.86 ? 1127 SO4 C O3 1 HETATM 3956 O O4 . SO4 O 4 . ? -13.764 -26.440 -6.313 1.00 56.75 ? 1127 SO4 C O4 1 HETATM 3957 N N1 . VHI P 2 . ? -15.957 -8.780 -27.798 1.00 23.63 ? 1124 VHI D N1 1 HETATM 3958 S S1 . VHI P 2 . ? -16.314 -11.494 -25.782 1.00 27.46 ? 1124 VHI D S1 1 HETATM 3959 C C2 . VHI P 2 . ? -15.018 -10.614 -25.025 1.00 22.86 ? 1124 VHI D C2 1 HETATM 3960 N N2 . VHI P 2 . ? -14.049 -9.736 -27.252 1.00 21.23 ? 1124 VHI D N2 1 HETATM 3961 C C3 . VHI P 2 . ? -14.783 -9.387 -28.279 1.00 28.84 ? 1124 VHI D C3 1 HETATM 3962 O O3 . VHI P 2 . ? -14.346 -9.481 -29.419 1.00 28.38 ? 1124 VHI D O3 1 HETATM 3963 C C4 . VHI P 2 . ? -14.759 -9.466 -25.923 1.00 19.71 ? 1124 VHI D C4 1 HETATM 3964 C C5 . VHI P 2 . ? -16.183 -8.989 -26.381 1.00 21.72 ? 1124 VHI D C5 1 HETATM 3965 C C6 . VHI P 2 . ? -17.260 -9.984 -26.096 1.00 22.84 ? 1124 VHI D C6 1 HETATM 3966 C C7 . VHI P 2 . ? -13.684 -11.433 -24.838 1.00 21.69 ? 1124 VHI D C7 1 HETATM 3967 C C8 . VHI P 2 . ? -13.757 -12.221 -23.537 1.00 23.71 ? 1124 VHI D C8 1 HETATM 3968 C C9 . VHI P 2 . ? -12.498 -13.157 -23.388 1.00 23.50 ? 1124 VHI D C9 1 HETATM 3969 C C10 . VHI P 2 . ? -12.610 -14.065 -22.149 1.00 22.23 ? 1124 VHI D C10 1 HETATM 3970 C C11 . VHI P 2 . ? -12.567 -13.260 -20.888 1.00 32.25 ? 1124 VHI D C11 1 HETATM 3971 O O11 . VHI P 2 . ? -11.983 -12.104 -20.864 1.00 30.21 ? 1124 VHI D O11 1 HETATM 3972 O O12 . VHI P 2 . ? -13.100 -13.752 -19.813 1.00 29.35 ? 1124 VHI D O12 1 HETATM 3973 C C17 . VHI P 2 . ? -16.651 -7.718 -28.372 1.00 36.12 ? 1124 VHI D C17 1 HETATM 3974 O O18 . VHI P 2 . ? -16.376 -7.160 -29.684 1.00 40.30 ? 1124 VHI D O18 1 HETATM 3975 O O19 . VHI P 2 . ? -17.543 -7.017 -27.769 1.00 35.55 ? 1124 VHI D O19 1 HETATM 3976 C C20 . VHI P 2 . ? -17.364 -6.268 -30.344 1.00 34.51 ? 1124 VHI D C20 1 HETATM 3977 C C21 . VHI P 2 . ? -16.886 -4.836 -30.205 1.00 41.66 ? 1124 VHI D C21 1 HETATM 3978 C C22 . VHI P 2 . ? -16.639 -4.073 -31.384 1.00 44.09 ? 1124 VHI D C22 1 HETATM 3979 C C23 . VHI P 2 . ? -16.236 -2.739 -31.293 1.00 45.20 ? 1124 VHI D C23 1 HETATM 3980 C C24 . VHI P 2 . ? -16.057 -2.121 -30.032 1.00 48.96 ? 1124 VHI D C24 1 HETATM 3981 C C25 . VHI P 2 . ? -16.342 -2.841 -28.829 1.00 46.03 ? 1124 VHI D C25 1 HETATM 3982 C C26 . VHI P 2 . ? -16.780 -4.195 -28.917 1.00 42.68 ? 1124 VHI D C26 1 HETATM 3983 C C1 . NAG Q 3 . ? -7.152 -10.250 -37.163 1.00 46.11 ? 1125 NAG D C1 1 HETATM 3984 C C2 . NAG Q 3 . ? -6.060 -10.277 -36.130 1.00 45.04 ? 1125 NAG D C2 1 HETATM 3985 C C3 . NAG Q 3 . ? -4.966 -9.232 -36.537 1.00 47.45 ? 1125 NAG D C3 1 HETATM 3986 C C4 . NAG Q 3 . ? -4.443 -9.441 -37.955 1.00 46.95 ? 1125 NAG D C4 1 HETATM 3987 C C5 . NAG Q 3 . ? -5.592 -9.589 -38.908 1.00 47.37 ? 1125 NAG D C5 1 HETATM 3988 C C6 . NAG Q 3 . ? -5.021 -10.270 -40.108 1.00 47.08 ? 1125 NAG D C6 1 HETATM 3989 C C7 . NAG Q 3 . ? -6.200 -10.645 -33.711 1.00 42.78 ? 1125 NAG D C7 1 HETATM 3990 C C8 . NAG Q 3 . ? -6.692 -10.184 -32.281 1.00 41.88 ? 1125 NAG D C8 1 HETATM 3991 N N2 . NAG Q 3 . ? -6.572 -9.919 -34.770 1.00 43.62 ? 1125 NAG D N2 1 HETATM 3992 O O3 . NAG Q 3 . ? -3.837 -9.363 -35.662 1.00 39.87 ? 1125 NAG D O3 1 HETATM 3993 O O4 . NAG Q 3 . ? -3.502 -8.324 -38.317 1.00 54.12 ? 1125 NAG D O4 1 HETATM 3994 O O5 . NAG Q 3 . ? -6.662 -10.585 -38.478 1.00 47.59 ? 1125 NAG D O5 1 HETATM 3995 O O6 . NAG Q 3 . ? -6.113 -10.374 -40.960 1.00 48.24 ? 1125 NAG D O6 1 HETATM 3996 O O7 . NAG Q 3 . ? -5.531 -11.674 -33.865 1.00 41.79 ? 1125 NAG D O7 1 HETATM 3997 S S . SO4 R 4 . ? -36.897 -14.700 -47.027 1.00 64.96 ? 1126 SO4 D S 1 HETATM 3998 O O1 . SO4 R 4 . ? -38.182 -15.380 -46.986 1.00 65.94 ? 1126 SO4 D O1 1 HETATM 3999 O O2 . SO4 R 4 . ? -36.338 -14.709 -48.378 1.00 64.33 ? 1126 SO4 D O2 1 HETATM 4000 O O3 . SO4 R 4 . ? -37.079 -13.306 -46.612 1.00 60.33 ? 1126 SO4 D O3 1 HETATM 4001 O O4 . SO4 R 4 . ? -36.075 -15.495 -46.137 1.00 60.56 ? 1126 SO4 D O4 1 HETATM 4002 O O . HOH S 5 . ? -38.295 -8.899 -17.950 1.00 18.13 ? 124 HOH A O 1 HETATM 4003 O O . HOH S 5 . ? -36.733 -11.065 -18.702 1.00 18.48 ? 125 HOH A O 1 HETATM 4004 O O . HOH S 5 . ? -43.430 -0.723 -26.632 1.00 38.07 ? 126 HOH A O 1 HETATM 4005 O O . HOH S 5 . ? -37.782 -5.299 -16.577 1.00 17.76 ? 127 HOH A O 1 HETATM 4006 O O . HOH S 5 . ? -39.586 -4.277 -24.496 1.00 19.56 ? 128 HOH A O 1 HETATM 4007 O O . HOH S 5 . ? -37.424 -9.997 -21.874 1.00 18.88 ? 129 HOH A O 1 HETATM 4008 O O . HOH S 5 . ? -30.586 -4.156 -29.471 1.00 20.56 ? 130 HOH A O 1 HETATM 4009 O O . HOH S 5 . ? -17.307 10.723 -11.294 1.00 32.47 ? 131 HOH A O 1 HETATM 4010 O O . HOH S 5 . ? -47.098 1.629 -17.775 1.00 21.79 ? 132 HOH A O 1 HETATM 4011 O O . HOH S 5 . ? -39.697 10.505 -28.183 1.00 21.82 ? 133 HOH A O 1 HETATM 4012 O O . HOH S 5 . ? -42.710 -14.410 -16.628 1.00 27.32 ? 134 HOH A O 1 HETATM 4013 O O . HOH S 5 . ? -19.785 15.154 -30.020 1.00 24.60 ? 135 HOH A O 1 HETATM 4014 O O . HOH S 5 . ? -28.513 -2.252 -29.983 1.00 31.39 ? 136 HOH A O 1 HETATM 4015 O O . HOH S 5 . ? -40.184 -7.002 -24.681 1.00 27.86 ? 137 HOH A O 1 HETATM 4016 O O . HOH S 5 . ? -20.822 15.567 -33.411 1.00 33.78 ? 138 HOH A O 1 HETATM 4017 O O . HOH S 5 . ? -21.887 16.941 -17.359 1.00 28.07 ? 139 HOH A O 1 HETATM 4018 O O . HOH S 5 . ? -25.890 3.553 -31.559 1.00 39.91 ? 140 HOH A O 1 HETATM 4019 O O . HOH S 5 . ? -38.315 17.345 -19.859 1.00 31.59 ? 141 HOH A O 1 HETATM 4020 O O . HOH S 5 . ? -32.812 13.108 -11.775 1.00 26.59 ? 142 HOH A O 1 HETATM 4021 O O . HOH S 5 . ? -41.326 6.259 -16.833 1.00 23.39 ? 143 HOH A O 1 HETATM 4022 O O . HOH S 5 . ? -28.169 12.512 -6.779 1.00 23.89 ? 144 HOH A O 1 HETATM 4023 O O . HOH S 5 . ? -25.347 20.815 -28.411 1.00 43.43 ? 145 HOH A O 1 HETATM 4024 O O . HOH S 5 . ? -47.774 0.561 -25.142 1.00 39.12 ? 146 HOH A O 1 HETATM 4025 O O . HOH S 5 . ? -18.788 11.928 -30.973 1.00 30.97 ? 147 HOH A O 1 HETATM 4026 O O . HOH S 5 . ? -25.372 5.849 -33.058 1.00 32.45 ? 148 HOH A O 1 HETATM 4027 O O . HOH S 5 . ? -49.061 9.590 -29.801 1.00 37.45 ? 149 HOH A O 1 HETATM 4028 O O . HOH S 5 . ? -31.271 19.734 -16.496 1.00 26.20 ? 150 HOH A O 1 HETATM 4029 O O . HOH S 5 . ? -22.374 1.653 -25.992 1.00 26.51 ? 151 HOH A O 1 HETATM 4030 O O . HOH S 5 . ? -38.527 -8.356 -15.125 1.00 20.62 ? 152 HOH A O 1 HETATM 4031 O O . HOH S 5 . ? -45.578 8.431 -19.191 1.00 30.94 ? 153 HOH A O 1 HETATM 4032 O O . HOH S 5 . ? -23.588 12.985 -8.521 1.00 28.23 ? 154 HOH A O 1 HETATM 4033 O O . HOH S 5 . ? -37.996 10.079 -16.747 1.00 24.25 ? 155 HOH A O 1 HETATM 4034 O O . HOH S 5 . ? -32.801 14.849 -4.352 1.00 40.88 ? 156 HOH A O 1 HETATM 4035 O O . HOH S 5 . ? -10.694 9.434 -23.586 1.00 33.16 ? 159 HOH A O 1 HETATM 4036 O O . HOH S 5 . ? -45.613 -15.928 -21.763 1.00 34.26 ? 168 HOH A O 1 HETATM 4037 O O . HOH S 5 . ? -31.230 23.453 -17.990 1.00 36.40 ? 172 HOH A O 1 HETATM 4038 O O . HOH S 5 . ? -31.405 22.481 -9.449 1.00 40.61 ? 173 HOH A O 1 HETATM 4039 O O . HOH S 5 . ? -39.843 16.910 -16.862 1.00 46.89 ? 179 HOH A O 1 HETATM 4040 O O . HOH T 5 . ? -20.258 -3.026 -14.351 1.00 15.69 ? 124 HOH B O 1 HETATM 4041 O O . HOH T 5 . ? -20.539 -1.345 -22.143 1.00 17.05 ? 125 HOH B O 1 HETATM 4042 O O . HOH T 5 . ? -29.418 -11.195 -11.821 1.00 20.48 ? 126 HOH B O 1 HETATM 4043 O O . HOH T 5 . ? -33.607 8.218 -13.802 1.00 16.11 ? 127 HOH B O 1 HETATM 4044 O O . HOH T 5 . ? -17.004 -9.348 -10.840 1.00 37.23 ? 128 HOH B O 1 HETATM 4045 O O . HOH T 5 . ? -15.318 3.254 -8.170 1.00 38.08 ? 129 HOH B O 1 HETATM 4046 O O . HOH T 5 . ? -10.016 -4.188 -23.019 1.00 32.81 ? 130 HOH B O 1 HETATM 4047 O O . HOH T 5 . ? -15.868 7.885 -14.582 1.00 28.71 ? 131 HOH B O 1 HETATM 4048 O O . HOH T 5 . ? -25.370 8.534 -11.464 1.00 19.75 ? 132 HOH B O 1 HETATM 4049 O O . HOH T 5 . ? -18.402 -4.390 -15.856 1.00 22.90 ? 133 HOH B O 1 HETATM 4050 O O . HOH T 5 . ? -23.091 1.224 -20.639 1.00 19.06 ? 134 HOH B O 1 HETATM 4051 O O . HOH T 5 . ? -19.855 -5.081 -20.574 1.00 18.21 ? 135 HOH B O 1 HETATM 4052 O O . HOH T 5 . ? -37.276 -9.299 -12.974 1.00 24.70 ? 136 HOH B O 1 HETATM 4053 O O . HOH T 5 . ? -26.222 1.826 -1.210 1.00 18.62 ? 137 HOH B O 1 HETATM 4054 O O . HOH T 5 . ? -40.436 11.162 -4.260 1.00 27.11 ? 138 HOH B O 1 HETATM 4055 O O . HOH T 5 . ? -48.458 -0.814 -17.459 1.00 28.70 ? 139 HOH B O 1 HETATM 4056 O O . HOH T 5 . ? -14.473 -1.229 -26.061 1.00 26.79 ? 140 HOH B O 1 HETATM 4057 O O . HOH T 5 . ? -22.338 9.986 -7.329 1.00 22.28 ? 141 HOH B O 1 HETATM 4058 O O . HOH T 5 . ? -16.781 2.103 -11.346 1.00 27.15 ? 142 HOH B O 1 HETATM 4059 O O . HOH T 5 . ? -44.863 -6.696 -1.225 1.00 27.59 ? 143 HOH B O 1 HETATM 4060 O O . HOH T 5 . ? -33.995 2.051 4.012 1.00 30.99 ? 144 HOH B O 1 HETATM 4061 O O . HOH T 5 . ? -47.180 8.294 -4.376 1.00 32.92 ? 145 HOH B O 1 HETATM 4062 O O . HOH T 5 . ? -32.597 2.850 1.761 1.00 31.28 ? 146 HOH B O 1 HETATM 4063 O O . HOH T 5 . ? -32.754 -0.027 5.376 1.00 28.85 ? 147 HOH B O 1 HETATM 4064 O O . HOH T 5 . ? -18.168 -1.041 -9.365 1.00 41.81 ? 148 HOH B O 1 HETATM 4065 O O . HOH T 5 . ? -26.811 -10.775 -12.893 1.00 16.12 ? 149 HOH B O 1 HETATM 4066 O O . HOH T 5 . ? -32.515 10.622 -1.897 1.00 31.20 ? 150 HOH B O 1 HETATM 4067 O O . HOH T 5 . ? -43.791 0.164 2.658 1.00 34.39 ? 151 HOH B O 1 HETATM 4068 O O . HOH T 5 . ? -9.716 6.807 -23.698 1.00 36.96 ? 152 HOH B O 1 HETATM 4069 O O . HOH T 5 . ? -19.526 -2.009 3.198 1.00 39.79 ? 153 HOH B O 1 HETATM 4070 O O . HOH T 5 . ? -24.768 5.165 4.599 1.00 33.58 ? 154 HOH B O 1 HETATM 4071 O O . HOH T 5 . ? -20.457 -7.265 -1.875 1.00 38.41 ? 155 HOH B O 1 HETATM 4072 O O . HOH T 5 . ? -21.191 0.933 -23.625 1.00 24.56 ? 156 HOH B O 1 HETATM 4073 O O . HOH T 5 . ? -18.056 8.263 -12.860 1.00 20.97 ? 157 HOH B O 1 HETATM 4074 O O . HOH T 5 . ? -49.433 3.635 -9.530 1.00 31.45 ? 158 HOH B O 1 HETATM 4075 O O . HOH T 5 . ? -30.147 9.142 -9.504 1.00 25.26 ? 159 HOH B O 1 HETATM 4076 O O . HOH T 5 . ? -37.100 11.759 -11.901 1.00 28.01 ? 160 HOH B O 1 HETATM 4077 O O . HOH T 5 . ? -46.776 4.730 -7.850 1.00 27.57 ? 161 HOH B O 1 HETATM 4078 O O . HOH T 5 . ? -49.077 3.489 -17.132 1.00 31.47 ? 162 HOH B O 1 HETATM 4079 O O . HOH T 5 . ? -37.286 -11.957 -13.614 1.00 42.79 ? 164 HOH B O 1 HETATM 4080 O O . HOH T 5 . ? -34.381 10.835 -12.551 1.00 28.05 ? 165 HOH B O 1 HETATM 4081 O O . HOH T 5 . ? -45.421 9.713 -16.173 1.00 29.70 ? 166 HOH B O 1 HETATM 4082 O O . HOH T 5 . ? -41.983 13.038 -16.584 1.00 34.28 ? 167 HOH B O 1 HETATM 4083 O O . HOH T 5 . ? -43.502 13.758 -0.249 1.00 41.76 ? 176 HOH B O 1 HETATM 4084 O O . HOH T 5 . ? -46.998 9.416 -0.598 1.00 38.19 ? 177 HOH B O 1 HETATM 4085 O O . HOH T 5 . ? -40.008 18.110 -14.630 1.00 49.39 ? 178 HOH B O 1 HETATM 4086 O O . HOH T 5 . ? -36.563 12.667 -9.387 1.00 38.74 ? 180 HOH B O 1 HETATM 4087 O O . HOH U 5 . ? -14.781 -27.698 -15.258 1.00 45.22 ? 1 HOH C O 1 HETATM 4088 O O . HOH U 5 . ? -29.195 -36.717 -19.625 1.00 36.30 ? 124 HOH C O 1 HETATM 4089 O O . HOH U 5 . ? -35.945 -12.730 -16.470 1.00 25.38 ? 125 HOH C O 1 HETATM 4090 O O . HOH U 5 . ? -30.731 -6.315 -31.152 1.00 20.93 ? 126 HOH C O 1 HETATM 4091 O O . HOH U 5 . ? -18.512 -30.639 -13.982 1.00 35.50 ? 127 HOH C O 1 HETATM 4092 O O . HOH U 5 . ? -33.743 -5.300 -28.519 1.00 20.70 ? 128 HOH C O 1 HETATM 4093 O O . HOH U 5 . ? -20.880 -31.279 -16.295 1.00 28.06 ? 129 HOH C O 1 HETATM 4094 O O . HOH U 5 . ? -36.687 -11.138 -28.969 1.00 18.91 ? 130 HOH C O 1 HETATM 4095 O O . HOH U 5 . ? -14.177 -27.191 -22.357 1.00 23.59 ? 131 HOH C O 1 HETATM 4096 O O . HOH U 5 . ? -30.259 -21.386 -33.834 1.00 22.65 ? 132 HOH C O 1 HETATM 4097 O O . HOH U 5 . ? -14.778 -26.938 -27.011 1.00 28.08 ? 133 HOH C O 1 HETATM 4098 O O . HOH U 5 . ? -28.262 -6.669 -32.710 1.00 29.98 ? 134 HOH C O 1 HETATM 4099 O O . HOH U 5 . ? -30.963 -29.763 -8.443 1.00 21.03 ? 135 HOH C O 1 HETATM 4100 O O . HOH U 5 . ? -28.117 -38.198 -11.401 1.00 42.67 ? 136 HOH C O 1 HETATM 4101 O O . HOH U 5 . ? -29.393 -16.230 -13.015 1.00 22.69 ? 137 HOH C O 1 HETATM 4102 O O . HOH U 5 . ? -34.148 -23.946 -36.274 1.00 28.29 ? 138 HOH C O 1 HETATM 4103 O O . HOH U 5 . ? -24.481 -34.482 -25.001 1.00 27.91 ? 139 HOH C O 1 HETATM 4104 O O . HOH U 5 . ? -31.392 -35.747 -13.524 1.00 39.80 ? 140 HOH C O 1 HETATM 4105 O O . HOH U 5 . ? -30.870 -32.654 -29.481 1.00 31.24 ? 141 HOH C O 1 HETATM 4106 O O . HOH U 5 . ? -23.554 -30.990 -1.343 1.00 27.27 ? 142 HOH C O 1 HETATM 4107 O O . HOH U 5 . ? -39.274 -25.720 -26.990 1.00 24.73 ? 143 HOH C O 1 HETATM 4108 O O . HOH U 5 . ? -21.174 -30.082 -2.105 1.00 32.55 ? 144 HOH C O 1 HETATM 4109 O O . HOH U 5 . ? -28.952 -9.798 -31.132 1.00 25.57 ? 145 HOH C O 1 HETATM 4110 O O . HOH U 5 . ? -21.304 -27.627 -28.639 1.00 27.33 ? 146 HOH C O 1 HETATM 4111 O O . HOH U 5 . ? -36.992 -20.810 -12.183 1.00 35.74 ? 147 HOH C O 1 HETATM 4112 O O . HOH U 5 . ? -36.036 -19.026 -13.515 1.00 43.94 ? 148 HOH C O 1 HETATM 4113 O O . HOH U 5 . ? -13.710 -24.712 -15.386 1.00 28.57 ? 149 HOH C O 1 HETATM 4114 O O . HOH U 5 . ? -22.807 -25.586 -0.249 1.00 24.24 ? 150 HOH C O 1 HETATM 4115 O O . HOH U 5 . ? -34.090 -17.209 -38.591 1.00 26.26 ? 151 HOH C O 1 HETATM 4116 O O . HOH U 5 . ? -38.887 -15.062 -34.904 1.00 38.99 ? 152 HOH C O 1 HETATM 4117 O O . HOH U 5 . ? -18.362 -23.698 -27.542 1.00 22.94 ? 153 HOH C O 1 HETATM 4118 O O . HOH U 5 . ? -29.672 -23.215 -0.708 1.00 39.17 ? 154 HOH C O 1 HETATM 4119 O O . HOH U 5 . ? -28.292 -25.225 -30.961 1.00 27.08 ? 155 HOH C O 1 HETATM 4120 O O . HOH U 5 . ? -35.392 -23.937 -10.461 1.00 35.91 ? 156 HOH C O 1 HETATM 4121 O O . HOH U 5 . ? -45.073 -28.575 -23.669 1.00 39.83 ? 157 HOH C O 1 HETATM 4122 O O . HOH U 5 . ? -39.589 -14.272 -31.065 1.00 38.03 ? 158 HOH C O 1 HETATM 4123 O O . HOH U 5 . ? -37.246 -8.414 -29.295 1.00 27.88 ? 159 HOH C O 1 HETATM 4124 O O . HOH U 5 . ? -50.618 -27.840 -32.947 1.00 36.56 ? 160 HOH C O 1 HETATM 4125 O O . HOH U 5 . ? -20.438 -27.340 -1.228 1.00 33.58 ? 161 HOH C O 1 HETATM 4126 O O . HOH U 5 . ? -37.485 0.617 -36.232 1.00 33.09 ? 162 HOH C O 1 HETATM 4127 O O . HOH U 5 . ? -34.331 -30.194 -7.701 1.00 34.80 ? 163 HOH C O 1 HETATM 4128 O O . HOH U 5 . ? -14.781 -29.978 -32.028 1.00 44.22 ? 164 HOH C O 1 HETATM 4129 O O . HOH U 5 . ? -22.964 -25.580 -29.832 1.00 27.43 ? 165 HOH C O 1 HETATM 4130 O O . HOH U 5 . ? -45.060 -25.996 -24.035 1.00 33.72 ? 166 HOH C O 1 HETATM 4131 O O . HOH U 5 . ? -31.793 -0.811 -35.760 1.00 30.27 ? 171 HOH C O 1 HETATM 4132 O O . HOH U 5 . ? -28.866 -2.743 -32.733 1.00 36.29 ? 174 HOH C O 1 HETATM 4133 O O . HOH U 5 . ? -25.865 -38.117 -24.073 1.00 38.16 ? 181 HOH C O 1 HETATM 4134 O O . HOH U 5 . ? -18.510 -27.205 -5.585 1.00 38.01 ? 182 HOH C O 1 HETATM 4135 O O . HOH V 5 . ? -28.062 -13.449 -9.977 1.00 36.54 ? 124 HOH D O 1 HETATM 4136 O O . HOH V 5 . ? -23.622 -26.595 -32.362 1.00 27.26 ? 125 HOH D O 1 HETATM 4137 O O . HOH V 5 . ? -18.385 -11.191 -16.888 1.00 14.48 ? 126 HOH D O 1 HETATM 4138 O O . HOH V 5 . ? -25.290 -13.083 -13.320 1.00 16.00 ? 127 HOH D O 1 HETATM 4139 O O . HOH V 5 . ? -25.031 -15.732 -16.162 1.00 17.36 ? 128 HOH D O 1 HETATM 4140 O O . HOH V 5 . ? -9.520 -16.003 -28.292 1.00 19.56 ? 129 HOH D O 1 HETATM 4141 O O . HOH V 5 . ? -15.469 -22.324 -15.472 1.00 19.87 ? 130 HOH D O 1 HETATM 4142 O O . HOH V 5 . ? -23.728 -23.027 -28.549 1.00 18.16 ? 131 HOH D O 1 HETATM 4143 O O . HOH V 5 . ? -21.067 -3.448 -26.249 1.00 27.28 ? 132 HOH D O 1 HETATM 4144 O O . HOH V 5 . ? -2.678 -11.643 -24.817 1.00 37.38 ? 133 HOH D O 1 HETATM 4145 O O . HOH V 5 . ? -20.754 -3.743 -23.591 1.00 18.50 ? 134 HOH D O 1 HETATM 4146 O O . HOH V 5 . ? -12.644 -24.046 -21.816 1.00 19.96 ? 135 HOH D O 1 HETATM 4147 O O . HOH V 5 . ? -18.944 -9.765 -14.616 1.00 19.77 ? 136 HOH D O 1 HETATM 4148 O O . HOH V 5 . ? -13.974 -15.938 -15.153 1.00 24.93 ? 137 HOH D O 1 HETATM 4149 O O . HOH V 5 . ? -26.797 -15.596 -13.139 1.00 19.40 ? 138 HOH D O 1 HETATM 4150 O O . HOH V 5 . ? -18.749 -25.861 -39.211 1.00 25.83 ? 139 HOH D O 1 HETATM 4151 O O . HOH V 5 . ? -17.748 -22.951 -22.533 1.00 17.37 ? 140 HOH D O 1 HETATM 4152 O O . HOH V 5 . ? -25.860 -13.139 -6.221 1.00 24.12 ? 141 HOH D O 1 HETATM 4153 O O . HOH V 5 . ? -34.471 -19.304 -40.826 1.00 34.73 ? 142 HOH D O 1 HETATM 4154 O O . HOH V 5 . ? -34.608 -14.690 -40.111 1.00 30.61 ? 143 HOH D O 1 HETATM 4155 O O . HOH V 5 . ? -15.847 -25.798 -43.347 1.00 27.47 ? 144 HOH D O 1 HETATM 4156 O O . HOH V 5 . ? -21.323 -9.892 -3.797 1.00 32.05 ? 145 HOH D O 1 HETATM 4157 O O . HOH V 5 . ? -12.675 -24.907 -33.379 1.00 27.74 ? 146 HOH D O 1 HETATM 4158 O O . HOH V 5 . ? -9.937 -17.289 -35.470 1.00 29.15 ? 147 HOH D O 1 HETATM 4159 O O . HOH V 5 . ? -25.627 -5.708 -32.664 1.00 28.91 ? 148 HOH D O 1 HETATM 4160 O O . HOH V 5 . ? -14.627 -20.312 -43.229 1.00 29.38 ? 149 HOH D O 1 HETATM 4161 O O . HOH V 5 . ? -29.775 -28.390 -34.322 1.00 34.97 ? 150 HOH D O 1 HETATM 4162 O O . HOH V 5 . ? -3.027 -18.077 -21.415 1.00 36.20 ? 151 HOH D O 1 HETATM 4163 O O . HOH V 5 . ? -22.328 -23.153 -44.904 1.00 34.79 ? 152 HOH D O 1 HETATM 4164 O O . HOH V 5 . ? -16.274 -24.007 -45.916 1.00 36.10 ? 153 HOH D O 1 HETATM 4165 O O . HOH V 5 . ? -23.790 -9.288 -13.596 1.00 15.53 ? 154 HOH D O 1 HETATM 4166 O O . HOH V 5 . ? -15.304 -21.011 -45.874 1.00 36.77 ? 155 HOH D O 1 HETATM 4167 O O . HOH V 5 . ? -15.947 -21.837 -12.667 1.00 23.62 ? 156 HOH D O 1 HETATM 4168 O O . HOH V 5 . ? -42.186 -23.930 -42.349 1.00 31.78 ? 157 HOH D O 1 HETATM 4169 O O . HOH V 5 . ? -12.876 -13.164 -17.378 1.00 42.90 ? 158 HOH D O 1 HETATM 4170 O O . HOH V 5 . ? -10.449 -16.855 -15.206 1.00 39.81 ? 160 HOH D O 1 HETATM 4171 O O . HOH V 5 . ? -8.583 -16.428 -37.638 1.00 41.57 ? 161 HOH D O 1 HETATM 4172 O O . HOH V 5 . ? -16.807 -15.345 -5.413 1.00 35.51 ? 162 HOH D O 1 HETATM 4173 O O . HOH V 5 . ? -14.228 -4.699 -15.948 1.00 34.73 ? 163 HOH D O 1 HETATM 4174 O O . HOH V 5 . ? -31.545 -25.267 -37.852 1.00 33.04 ? 169 HOH D O 1 HETATM 4175 O O . HOH V 5 . ? -14.508 -14.663 -45.388 1.00 31.64 ? 170 HOH D O 1 HETATM 4176 O O . HOH V 5 . ? -26.369 -2.922 -32.892 1.00 41.69 ? 175 HOH D O 1 HETATM 4177 O O . HOH V 5 . ? -3.479 -18.881 -29.944 1.00 40.83 ? 183 HOH D O 1 HETATM 4178 O O . HOH V 5 . ? -18.712 -4.066 -32.652 1.00 40.05 ? 184 HOH D 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 ARG 1 2 2 ARG ARG A . n A 1 2 LYS 2 3 3 LYS LYS A . n A 1 3 CYS 3 4 4 CYS CYS A . n A 1 4 SER 4 5 5 SER SER A . n A 1 5 LEU 5 6 6 LEU LEU A . n A 1 6 THR 6 7 7 THR THR A . n A 1 7 GLY 7 8 8 GLY GLY A . n A 1 8 LYS 8 9 9 LYS LYS A . n A 1 9 TRP 9 10 10 TRP TRP A . n A 1 10 THR 10 11 11 THR THR A . n A 1 11 ASN 11 12 12 ASN ASN A . n A 1 12 ASP 12 13 13 ASP ASP A . n A 1 13 LEU 13 14 14 LEU LEU A . n A 1 14 GLY 14 15 15 GLY GLY A . n A 1 15 SER 15 16 16 SER SER A . n A 1 16 ASN 16 17 17 ASN ASN A . n A 1 17 MET 17 18 18 MET MET A . n A 1 18 THR 18 19 19 THR THR A . n A 1 19 ILE 19 20 20 ILE ILE A . n A 1 20 GLY 20 21 21 GLY GLY A . n A 1 21 ALA 21 22 22 ALA ALA A . n A 1 22 VAL 22 23 23 VAL VAL A . n A 1 23 ASN 23 24 24 ASN ASN A . n A 1 24 SER 24 25 25 SER SER A . n A 1 25 ARG 25 26 26 ARG ARG A . n A 1 26 GLY 26 27 27 GLY GLY A . n A 1 27 GLU 27 28 28 GLU GLU A . n A 1 28 PHE 28 29 29 PHE PHE A . n A 1 29 THR 29 30 30 THR THR A . n A 1 30 GLY 30 31 31 GLY GLY A . n A 1 31 THR 31 32 32 THR THR A . n A 1 32 TYR 32 33 33 TYR TYR A . n A 1 33 ILE 33 34 34 ILE ILE A . n A 1 34 THR 34 35 35 THR THR A . n A 1 35 ALA 35 36 36 ALA ALA A . n A 1 36 VAL 36 37 37 VAL VAL A . n A 1 37 THR 37 38 38 THR THR A . n A 1 38 ALA 38 39 39 ALA ALA A . n A 1 39 THR 39 40 40 THR THR A . n A 1 40 SER 40 41 41 SER SER A . n A 1 41 ASN 41 42 42 ASN ASN A . n A 1 42 GLU 42 43 43 GLU GLU A . n A 1 43 ILE 43 44 44 ILE ILE A . n A 1 44 LYS 44 45 45 LYS LYS A . n A 1 45 GLU 45 46 46 GLU GLU A . n A 1 46 SER 46 47 47 SER SER A . n A 1 47 PRO 47 48 48 PRO PRO A . n A 1 48 LEU 48 49 49 LEU LEU A . n A 1 49 HIS 49 50 50 HIS HIS A . n A 1 50 GLY 50 51 51 GLY GLY A . n A 1 51 THR 51 52 52 THR THR A . n A 1 52 GLN 52 53 53 GLN GLN A . n A 1 53 ASN 53 54 54 ASN ASN A . n A 1 54 THR 54 55 55 THR THR A . n A 1 55 ILE 55 56 56 ILE ILE A . n A 1 56 ASN 56 57 57 ASN ASN A . n A 1 57 LYS 57 58 58 LYS LYS A . n A 1 58 ARG 58 59 59 ARG ARG A . n A 1 59 THR 59 60 60 THR THR A . n A 1 60 GLN 60 61 61 GLN GLN A . n A 1 61 PRO 61 62 62 PRO PRO A . n A 1 62 THR 62 63 63 THR THR A . n A 1 63 PHE 63 64 64 PHE PHE A . n A 1 64 GLY 64 65 65 GLY GLY A . n A 1 65 PHE 65 66 66 PHE PHE A . n A 1 66 THR 66 67 67 THR THR A . n A 1 67 VAL 67 68 68 VAL VAL A . n A 1 68 ASN 68 69 69 ASN ASN A . n A 1 69 TRP 69 70 70 TRP TRP A . n A 1 70 LYS 70 71 71 LYS LYS A . n A 1 71 PHE 71 72 72 PHE PHE A . n A 1 72 SER 72 73 73 SER SER A . n A 1 73 GLU 73 74 74 GLU GLU A . n A 1 74 SER 74 75 75 SER SER A . n A 1 75 THR 75 76 76 THR THR A . n A 1 76 THR 76 77 77 THR THR A . n A 1 77 VAL 77 78 78 VAL VAL A . n A 1 78 PHE 78 79 79 PHE PHE A . n A 1 79 THR 79 80 80 THR THR A . n A 1 80 GLY 80 81 81 GLY GLY A . n A 1 81 GLN 81 82 82 GLN GLN A . n A 1 82 CYS 82 83 83 CYS CYS A . n A 1 83 PHE 83 84 84 PHE PHE A . n A 1 84 ILE 84 85 85 ILE ILE A . n A 1 85 ASP 85 86 86 ASP ASP A . n A 1 86 ARG 86 87 87 ARG ARG A . n A 1 87 ASN 87 88 88 ASN ASN A . n A 1 88 GLY 88 89 89 GLY GLY A . n A 1 89 LYS 89 90 90 LYS LYS A . n A 1 90 GLU 90 91 91 GLU GLU A . n A 1 91 VAL 91 92 92 VAL VAL A . n A 1 92 LEU 92 93 93 LEU LEU A . n A 1 93 LYS 93 94 94 LYS LYS A . n A 1 94 THR 94 95 95 THR THR A . n A 1 95 MET 95 96 96 MET MET A . n A 1 96 TRP 96 97 97 TRP TRP A . n A 1 97 LEU 97 98 98 LEU LEU A . n A 1 98 LEU 98 99 99 LEU LEU A . n A 1 99 ARG 99 100 100 ARG ARG A . n A 1 100 SER 100 101 101 SER SER A . n A 1 101 SER 101 102 102 SER SER A . n A 1 102 VAL 102 103 103 VAL VAL A . n A 1 103 ASN 103 104 104 ASN ASN A . n A 1 104 ASP 104 105 105 ASP ASP A . n A 1 105 ILE 105 106 106 ILE ILE A . n A 1 106 GLY 106 107 107 GLY GLY A . n A 1 107 ASP 107 108 108 ASP ASP A . n A 1 108 ASP 108 109 109 ASP ASP A . n A 1 109 TRP 109 110 110 TRP TRP A . n A 1 110 LYS 110 111 111 LYS LYS A . n A 1 111 ALA 111 112 112 ALA ALA A . n A 1 112 THR 112 113 113 THR THR A . n A 1 113 ARG 113 114 114 ARG ARG A . n A 1 114 VAL 114 115 115 VAL VAL A . n A 1 115 GLY 115 116 116 GLY GLY A . n A 1 116 ILE 116 117 117 ILE ILE A . n A 1 117 ASN 117 118 118 ASN ASN A . n A 1 118 ILE 118 119 119 ILE ILE A . n A 1 119 PHE 119 120 120 PHE PHE A . n A 1 120 THR 120 121 121 THR THR A . n A 1 121 ARG 121 122 122 ARG ARG A . n A 1 122 LEU 122 123 123 LEU LEU A . n B 1 1 ARG 1 2 ? ? ? B . n B 1 2 LYS 2 3 3 LYS LYS B . n B 1 3 CYS 3 4 4 CYS CYS B . n B 1 4 SER 4 5 5 SER SER B . n B 1 5 LEU 5 6 6 LEU LEU B . n B 1 6 THR 6 7 7 THR THR B . n B 1 7 GLY 7 8 8 GLY GLY B . n B 1 8 LYS 8 9 9 LYS LYS B . n B 1 9 TRP 9 10 10 TRP TRP B . n B 1 10 THR 10 11 11 THR THR B . n B 1 11 ASN 11 12 12 ASN ASN B . n B 1 12 ASP 12 13 13 ASP ASP B . n B 1 13 LEU 13 14 14 LEU LEU B . n B 1 14 GLY 14 15 15 GLY GLY B . n B 1 15 SER 15 16 16 SER SER B . n B 1 16 ASN 16 17 17 ASN ASN B . n B 1 17 MET 17 18 18 MET MET B . n B 1 18 THR 18 19 19 THR THR B . n B 1 19 ILE 19 20 20 ILE ILE B . n B 1 20 GLY 20 21 21 GLY GLY B . n B 1 21 ALA 21 22 22 ALA ALA B . n B 1 22 VAL 22 23 23 VAL VAL B . n B 1 23 ASN 23 24 24 ASN ASN B . n B 1 24 SER 24 25 25 SER SER B . n B 1 25 ARG 25 26 26 ARG ARG B . n B 1 26 GLY 26 27 27 GLY GLY B . n B 1 27 GLU 27 28 28 GLU GLU B . n B 1 28 PHE 28 29 29 PHE PHE B . n B 1 29 THR 29 30 30 THR THR B . n B 1 30 GLY 30 31 31 GLY GLY B . n B 1 31 THR 31 32 32 THR THR B . n B 1 32 TYR 32 33 33 TYR TYR B . n B 1 33 ILE 33 34 34 ILE ILE B . n B 1 34 THR 34 35 35 THR THR B . n B 1 35 ALA 35 36 36 ALA ALA B . n B 1 36 VAL 36 37 37 VAL VAL B . n B 1 37 THR 37 38 38 THR THR B . n B 1 38 ALA 38 39 39 ALA ALA B . n B 1 39 THR 39 40 40 THR THR B . n B 1 40 SER 40 41 41 SER SER B . n B 1 41 ASN 41 42 42 ASN ASN B . n B 1 42 GLU 42 43 43 GLU GLU B . n B 1 43 ILE 43 44 44 ILE ILE B . n B 1 44 LYS 44 45 45 LYS LYS B . n B 1 45 GLU 45 46 46 GLU GLU B . n B 1 46 SER 46 47 47 SER SER B . n B 1 47 PRO 47 48 48 PRO PRO B . n B 1 48 LEU 48 49 49 LEU LEU B . n B 1 49 HIS 49 50 50 HIS HIS B . n B 1 50 GLY 50 51 51 GLY GLY B . n B 1 51 THR 51 52 52 THR THR B . n B 1 52 GLN 52 53 53 GLN GLN B . n B 1 53 ASN 53 54 54 ASN ASN B . n B 1 54 THR 54 55 55 THR THR B . n B 1 55 ILE 55 56 56 ILE ILE B . n B 1 56 ASN 56 57 57 ASN ASN B . n B 1 57 LYS 57 58 58 LYS LYS B . n B 1 58 ARG 58 59 59 ARG ARG B . n B 1 59 THR 59 60 60 THR THR B . n B 1 60 GLN 60 61 61 GLN GLN B . n B 1 61 PRO 61 62 62 PRO PRO B . n B 1 62 THR 62 63 63 THR THR B . n B 1 63 PHE 63 64 64 PHE PHE B . n B 1 64 GLY 64 65 65 GLY GLY B . n B 1 65 PHE 65 66 66 PHE PHE B . n B 1 66 THR 66 67 67 THR THR B . n B 1 67 VAL 67 68 68 VAL VAL B . n B 1 68 ASN 68 69 69 ASN ASN B . n B 1 69 TRP 69 70 70 TRP TRP B . n B 1 70 LYS 70 71 71 LYS LYS B . n B 1 71 PHE 71 72 72 PHE PHE B . n B 1 72 SER 72 73 73 SER SER B . n B 1 73 GLU 73 74 74 GLU GLU B . n B 1 74 SER 74 75 75 SER SER B . n B 1 75 THR 75 76 76 THR THR B . n B 1 76 THR 76 77 77 THR THR B . n B 1 77 VAL 77 78 78 VAL VAL B . n B 1 78 PHE 78 79 79 PHE PHE B . n B 1 79 THR 79 80 80 THR THR B . n B 1 80 GLY 80 81 81 GLY GLY B . n B 1 81 GLN 81 82 82 GLN GLN B . n B 1 82 CYS 82 83 83 CYS CYS B . n B 1 83 PHE 83 84 84 PHE PHE B . n B 1 84 ILE 84 85 85 ILE ILE B . n B 1 85 ASP 85 86 86 ASP ASP B . n B 1 86 ARG 86 87 87 ARG ARG B . n B 1 87 ASN 87 88 88 ASN ASN B . n B 1 88 GLY 88 89 89 GLY GLY B . n B 1 89 LYS 89 90 90 LYS LYS B . n B 1 90 GLU 90 91 91 GLU GLU B . n B 1 91 VAL 91 92 92 VAL VAL B . n B 1 92 LEU 92 93 93 LEU LEU B . n B 1 93 LYS 93 94 94 LYS LYS B . n B 1 94 THR 94 95 95 THR THR B . n B 1 95 MET 95 96 96 MET MET B . n B 1 96 TRP 96 97 97 TRP TRP B . n B 1 97 LEU 97 98 98 LEU LEU B . n B 1 98 LEU 98 99 99 LEU LEU B . n B 1 99 ARG 99 100 100 ARG ARG B . n B 1 100 SER 100 101 101 SER SER B . n B 1 101 SER 101 102 102 SER SER B . n B 1 102 VAL 102 103 103 VAL VAL B . n B 1 103 ASN 103 104 104 ASN ASN B . n B 1 104 ASP 104 105 105 ASP ASP B . n B 1 105 ILE 105 106 106 ILE ILE B . n B 1 106 GLY 106 107 107 GLY GLY B . n B 1 107 ASP 107 108 108 ASP ASP B . n B 1 108 ASP 108 109 109 ASP ASP B . n B 1 109 TRP 109 110 110 TRP TRP B . n B 1 110 LYS 110 111 111 LYS LYS B . n B 1 111 ALA 111 112 112 ALA ALA B . n B 1 112 THR 112 113 113 THR THR B . n B 1 113 ARG 113 114 114 ARG ARG B . n B 1 114 VAL 114 115 115 VAL VAL B . n B 1 115 GLY 115 116 116 GLY GLY B . n B 1 116 ILE 116 117 117 ILE ILE B . n B 1 117 ASN 117 118 118 ASN ASN B . n B 1 118 ILE 118 119 119 ILE ILE B . n B 1 119 PHE 119 120 120 PHE PHE B . n B 1 120 THR 120 121 121 THR THR B . n B 1 121 ARG 121 122 122 ARG ARG B . n B 1 122 LEU 122 123 123 LEU LEU B . n C 1 1 ARG 1 2 2 ARG ARG C . n C 1 2 LYS 2 3 3 LYS LYS C . n C 1 3 CYS 3 4 4 CYS CYS C . n C 1 4 SER 4 5 5 SER SER C . n C 1 5 LEU 5 6 6 LEU LEU C . n C 1 6 THR 6 7 7 THR THR C . n C 1 7 GLY 7 8 8 GLY GLY C . n C 1 8 LYS 8 9 9 LYS LYS C . n C 1 9 TRP 9 10 10 TRP TRP C . n C 1 10 THR 10 11 11 THR THR C . n C 1 11 ASN 11 12 12 ASN ASN C . n C 1 12 ASP 12 13 13 ASP ASP C . n C 1 13 LEU 13 14 14 LEU LEU C . n C 1 14 GLY 14 15 15 GLY GLY C . n C 1 15 SER 15 16 16 SER SER C . n C 1 16 ASN 16 17 17 ASN ASN C . n C 1 17 MET 17 18 18 MET MET C . n C 1 18 THR 18 19 19 THR THR C . n C 1 19 ILE 19 20 20 ILE ILE C . n C 1 20 GLY 20 21 21 GLY GLY C . n C 1 21 ALA 21 22 22 ALA ALA C . n C 1 22 VAL 22 23 23 VAL VAL C . n C 1 23 ASN 23 24 24 ASN ASN C . n C 1 24 SER 24 25 25 SER SER C . n C 1 25 ARG 25 26 26 ARG ARG C . n C 1 26 GLY 26 27 27 GLY GLY C . n C 1 27 GLU 27 28 28 GLU GLU C . n C 1 28 PHE 28 29 29 PHE PHE C . n C 1 29 THR 29 30 30 THR THR C . n C 1 30 GLY 30 31 31 GLY GLY C . n C 1 31 THR 31 32 32 THR THR C . n C 1 32 TYR 32 33 33 TYR TYR C . n C 1 33 ILE 33 34 34 ILE ILE C . n C 1 34 THR 34 35 35 THR THR C . n C 1 35 ALA 35 36 36 ALA ALA C . n C 1 36 VAL 36 37 37 VAL VAL C . n C 1 37 THR 37 38 38 THR THR C . n C 1 38 ALA 38 39 39 ALA ALA C . n C 1 39 THR 39 40 40 THR THR C . n C 1 40 SER 40 41 41 SER SER C . n C 1 41 ASN 41 42 42 ASN ALA C . n C 1 42 GLU 42 43 43 GLU GLU C . n C 1 43 ILE 43 44 44 ILE ILE C . n C 1 44 LYS 44 45 45 LYS LYS C . n C 1 45 GLU 45 46 46 GLU GLU C . n C 1 46 SER 46 47 47 SER SER C . n C 1 47 PRO 47 48 48 PRO PRO C . n C 1 48 LEU 48 49 49 LEU LEU C . n C 1 49 HIS 49 50 50 HIS HIS C . n C 1 50 GLY 50 51 51 GLY GLY C . n C 1 51 THR 51 52 52 THR THR C . n C 1 52 GLN 52 53 53 GLN GLN C . n C 1 53 ASN 53 54 54 ASN ASN C . n C 1 54 THR 54 55 55 THR THR C . n C 1 55 ILE 55 56 56 ILE ILE C . n C 1 56 ASN 56 57 57 ASN ASN C . n C 1 57 LYS 57 58 58 LYS LYS C . n C 1 58 ARG 58 59 59 ARG ARG C . n C 1 59 THR 59 60 60 THR THR C . n C 1 60 GLN 60 61 61 GLN GLN C . n C 1 61 PRO 61 62 62 PRO PRO C . n C 1 62 THR 62 63 63 THR THR C . n C 1 63 PHE 63 64 64 PHE PHE C . n C 1 64 GLY 64 65 65 GLY GLY C . n C 1 65 PHE 65 66 66 PHE PHE C . n C 1 66 THR 66 67 67 THR THR C . n C 1 67 VAL 67 68 68 VAL VAL C . n C 1 68 ASN 68 69 69 ASN ASN C . n C 1 69 TRP 69 70 70 TRP TRP C . n C 1 70 LYS 70 71 71 LYS LYS C . n C 1 71 PHE 71 72 72 PHE PHE C . n C 1 72 SER 72 73 73 SER SER C . n C 1 73 GLU 73 74 74 GLU GLU C . n C 1 74 SER 74 75 75 SER SER C . n C 1 75 THR 75 76 76 THR THR C . n C 1 76 THR 76 77 77 THR THR C . n C 1 77 VAL 77 78 78 VAL VAL C . n C 1 78 PHE 78 79 79 PHE PHE C . n C 1 79 THR 79 80 80 THR THR C . n C 1 80 GLY 80 81 81 GLY GLY C . n C 1 81 GLN 81 82 82 GLN GLN C . n C 1 82 CYS 82 83 83 CYS CYS C . n C 1 83 PHE 83 84 84 PHE PHE C . n C 1 84 ILE 84 85 85 ILE ILE C . n C 1 85 ASP 85 86 86 ASP ASP C . n C 1 86 ARG 86 87 87 ARG ARG C . n C 1 87 ASN 87 88 88 ASN ASN C . n C 1 88 GLY 88 89 89 GLY GLY C . n C 1 89 LYS 89 90 90 LYS LYS C . n C 1 90 GLU 90 91 91 GLU GLU C . n C 1 91 VAL 91 92 92 VAL VAL C . n C 1 92 LEU 92 93 93 LEU LEU C . n C 1 93 LYS 93 94 94 LYS LYS C . n C 1 94 THR 94 95 95 THR THR C . n C 1 95 MET 95 96 96 MET MET C . n C 1 96 TRP 96 97 97 TRP TRP C . n C 1 97 LEU 97 98 98 LEU LEU C . n C 1 98 LEU 98 99 99 LEU LEU C . n C 1 99 ARG 99 100 100 ARG ARG C . n C 1 100 SER 100 101 101 SER SER C . n C 1 101 SER 101 102 102 SER SER C . n C 1 102 VAL 102 103 103 VAL VAL C . n C 1 103 ASN 103 104 104 ASN ASN C . n C 1 104 ASP 104 105 105 ASP ASP C . n C 1 105 ILE 105 106 106 ILE ILE C . n C 1 106 GLY 106 107 107 GLY GLY C . n C 1 107 ASP 107 108 108 ASP ASP C . n C 1 108 ASP 108 109 109 ASP ASP C . n C 1 109 TRP 109 110 110 TRP TRP C . n C 1 110 LYS 110 111 111 LYS LYS C . n C 1 111 ALA 111 112 112 ALA ALA C . n C 1 112 THR 112 113 113 THR THR C . n C 1 113 ARG 113 114 114 ARG ARG C . n C 1 114 VAL 114 115 115 VAL VAL C . n C 1 115 GLY 115 116 116 GLY GLY C . n C 1 116 ILE 116 117 117 ILE ILE C . n C 1 117 ASN 117 118 118 ASN ASN C . n C 1 118 ILE 118 119 119 ILE ILE C . n C 1 119 PHE 119 120 120 PHE PHE C . n C 1 120 THR 120 121 121 THR THR C . n C 1 121 ARG 121 122 122 ARG ARG C . n C 1 122 LEU 122 123 123 LEU LEU C . n D 1 1 ARG 1 2 ? ? ? D . n D 1 2 LYS 2 3 3 LYS LYS D . n D 1 3 CYS 3 4 4 CYS CYS D . n D 1 4 SER 4 5 5 SER SER D . n D 1 5 LEU 5 6 6 LEU LEU D . n D 1 6 THR 6 7 7 THR THR D . n D 1 7 GLY 7 8 8 GLY GLY D . n D 1 8 LYS 8 9 9 LYS LYS D . n D 1 9 TRP 9 10 10 TRP TRP D . n D 1 10 THR 10 11 11 THR THR D . n D 1 11 ASN 11 12 12 ASN ASN D . n D 1 12 ASP 12 13 13 ASP ASP D . n D 1 13 LEU 13 14 14 LEU LEU D . n D 1 14 GLY 14 15 15 GLY GLY D . n D 1 15 SER 15 16 16 SER SER D . n D 1 16 ASN 16 17 17 ASN ASN D . n D 1 17 MET 17 18 18 MET MET D . n D 1 18 THR 18 19 19 THR THR D . n D 1 19 ILE 19 20 20 ILE ILE D . n D 1 20 GLY 20 21 21 GLY GLY D . n D 1 21 ALA 21 22 22 ALA ALA D . n D 1 22 VAL 22 23 23 VAL VAL D . n D 1 23 ASN 23 24 24 ASN ASN D . n D 1 24 SER 24 25 25 SER SER D . n D 1 25 ARG 25 26 26 ARG ARG D . n D 1 26 GLY 26 27 27 GLY GLY D . n D 1 27 GLU 27 28 28 GLU GLU D . n D 1 28 PHE 28 29 29 PHE PHE D . n D 1 29 THR 29 30 30 THR THR D . n D 1 30 GLY 30 31 31 GLY GLY D . n D 1 31 THR 31 32 32 THR THR D . n D 1 32 TYR 32 33 33 TYR TYR D . n D 1 33 ILE 33 34 34 ILE ILE D . n D 1 34 THR 34 35 35 THR THR D . n D 1 35 ALA 35 36 36 ALA ALA D . n D 1 36 VAL 36 37 37 VAL VAL D . n D 1 37 THR 37 38 38 THR THR D . n D 1 38 ALA 38 39 39 ALA ALA D . n D 1 39 THR 39 40 40 THR THR D . n D 1 40 SER 40 41 41 SER SER D . n D 1 41 ASN 41 42 42 ASN ASN D . n D 1 42 GLU 42 43 43 GLU GLU D . n D 1 43 ILE 43 44 44 ILE ILE D . n D 1 44 LYS 44 45 45 LYS LYS D . n D 1 45 GLU 45 46 46 GLU GLU D . n D 1 46 SER 46 47 47 SER SER D . n D 1 47 PRO 47 48 48 PRO PRO D . n D 1 48 LEU 48 49 49 LEU LEU D . n D 1 49 HIS 49 50 50 HIS HIS D . n D 1 50 GLY 50 51 51 GLY GLY D . n D 1 51 THR 51 52 52 THR THR D . n D 1 52 GLN 52 53 53 GLN GLN D . n D 1 53 ASN 53 54 54 ASN ASN D . n D 1 54 THR 54 55 55 THR THR D . n D 1 55 ILE 55 56 56 ILE ILE D . n D 1 56 ASN 56 57 57 ASN ASN D . n D 1 57 LYS 57 58 58 LYS LYS D . n D 1 58 ARG 58 59 59 ARG ARG D . n D 1 59 THR 59 60 60 THR THR D . n D 1 60 GLN 60 61 61 GLN GLN D . n D 1 61 PRO 61 62 62 PRO PRO D . n D 1 62 THR 62 63 63 THR THR D . n D 1 63 PHE 63 64 64 PHE PHE D . n D 1 64 GLY 64 65 65 GLY GLY D . n D 1 65 PHE 65 66 66 PHE PHE D . n D 1 66 THR 66 67 67 THR THR D . n D 1 67 VAL 67 68 68 VAL VAL D . n D 1 68 ASN 68 69 69 ASN ASN D . n D 1 69 TRP 69 70 70 TRP TRP D . n D 1 70 LYS 70 71 71 LYS LYS D . n D 1 71 PHE 71 72 72 PHE PHE D . n D 1 72 SER 72 73 73 SER SER D . n D 1 73 GLU 73 74 74 GLU GLU D . n D 1 74 SER 74 75 75 SER SER D . n D 1 75 THR 75 76 76 THR THR D . n D 1 76 THR 76 77 77 THR THR D . n D 1 77 VAL 77 78 78 VAL VAL D . n D 1 78 PHE 78 79 79 PHE PHE D . n D 1 79 THR 79 80 80 THR THR D . n D 1 80 GLY 80 81 81 GLY GLY D . n D 1 81 GLN 81 82 82 GLN GLN D . n D 1 82 CYS 82 83 83 CYS CYS D . n D 1 83 PHE 83 84 84 PHE PHE D . n D 1 84 ILE 84 85 85 ILE ILE D . n D 1 85 ASP 85 86 86 ASP ASP D . n D 1 86 ARG 86 87 87 ARG ARG D . n D 1 87 ASN 87 88 88 ASN ASN D . n D 1 88 GLY 88 89 89 GLY GLY D . n D 1 89 LYS 89 90 90 LYS LYS D . n D 1 90 GLU 90 91 91 GLU GLU D . n D 1 91 VAL 91 92 92 VAL VAL D . n D 1 92 LEU 92 93 93 LEU LEU D . n D 1 93 LYS 93 94 94 LYS LYS D . n D 1 94 THR 94 95 95 THR THR D . n D 1 95 MET 95 96 96 MET MET D . n D 1 96 TRP 96 97 97 TRP TRP D . n D 1 97 LEU 97 98 98 LEU LEU D . n D 1 98 LEU 98 99 99 LEU LEU D . n D 1 99 ARG 99 100 100 ARG ARG D . n D 1 100 SER 100 101 101 SER SER D . n D 1 101 SER 101 102 102 SER SER D . n D 1 102 VAL 102 103 103 VAL VAL D . n D 1 103 ASN 103 104 104 ASN ASN D . n D 1 104 ASP 104 105 105 ASP ASP D . n D 1 105 ILE 105 106 106 ILE ILE D . n D 1 106 GLY 106 107 107 GLY GLY D . n D 1 107 ASP 107 108 108 ASP ASP D . n D 1 108 ASP 108 109 109 ASP ASP D . n D 1 109 TRP 109 110 110 TRP TRP D . n D 1 110 LYS 110 111 111 LYS LYS D . n D 1 111 ALA 111 112 112 ALA ALA D . n D 1 112 THR 112 113 113 THR THR D . n D 1 113 ARG 113 114 114 ARG ARG D . n D 1 114 VAL 114 115 115 VAL VAL D . n D 1 115 GLY 115 116 116 GLY GLY D . n D 1 116 ILE 116 117 117 ILE ILE D . n D 1 117 ASN 117 118 118 ASN ASN D . n D 1 118 ILE 118 119 119 ILE ILE D . n D 1 119 PHE 119 120 120 PHE PHE D . n D 1 120 THR 120 121 121 THR THR D . n D 1 121 ARG 121 122 122 ARG ARG D . n D 1 122 LEU 122 123 123 LEU LEU D . 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 E 2 VHI 1 1124 1124 VHI BTZ A . F 3 NAG 1 1125 1125 NAG NAG A . G 4 SO4 1 1126 1126 SO4 SO4 A . H 4 SO4 1 1127 1127 SO4 SO4 A . I 2 VHI 1 1124 1124 VHI BTZ B . J 3 NAG 1 1125 1125 NAG NAG B . K 4 SO4 1 1126 1126 SO4 SO4 B . L 4 SO4 1 1127 1127 SO4 SO4 B . M 2 VHI 1 1124 1124 VHI BTZ C . N 3 NAG 1 1125 1125 NAG NAG C . O 4 SO4 1 1127 1127 SO4 SO4 C . P 2 VHI 1 1124 1124 VHI BTZ D . Q 3 NAG 1 1125 1125 NAG NAG D . R 4 SO4 1 1126 1126 SO4 SO4 D . S 5 HOH 1 124 6 HOH HOH A . S 5 HOH 2 125 12 HOH HOH A . S 5 HOH 3 126 126 HOH HOH A . S 5 HOH 4 127 13 HOH HOH A . S 5 HOH 5 128 20 HOH HOH A . S 5 HOH 6 129 25 HOH HOH A . S 5 HOH 7 130 32 HOH HOH A . S 5 HOH 8 131 131 HOH HOH A . S 5 HOH 9 132 46 HOH HOH A . S 5 HOH 10 133 48 HOH HOH A . S 5 HOH 11 134 51 HOH HOH A . S 5 HOH 12 135 63 HOH HOH A . S 5 HOH 13 136 68 HOH HOH A . S 5 HOH 14 137 70 HOH HOH A . S 5 HOH 15 138 138 HOH HOH A . S 5 HOH 16 139 71 HOH HOH A . S 5 HOH 17 140 74 HOH HOH A . S 5 HOH 18 141 75 HOH HOH A . S 5 HOH 19 142 142 HOH HOH A . S 5 HOH 20 143 79 HOH HOH A . S 5 HOH 21 144 81 HOH HOH A . S 5 HOH 22 145 84 HOH HOH A . S 5 HOH 23 146 146 HOH HOH A . S 5 HOH 24 147 86 HOH HOH A . S 5 HOH 25 148 88 HOH HOH A . S 5 HOH 26 149 149 HOH HOH A . S 5 HOH 27 150 89 HOH HOH A . S 5 HOH 28 151 90 HOH HOH A . S 5 HOH 29 152 94 HOH HOH A . S 5 HOH 30 153 104 HOH HOH A . S 5 HOH 31 154 109 HOH HOH A . S 5 HOH 32 155 111 HOH HOH A . S 5 HOH 33 156 121 HOH HOH A . S 5 HOH 34 159 159 HOH HOH A . S 5 HOH 35 168 168 HOH HOH A . S 5 HOH 36 172 172 HOH HOH A . S 5 HOH 37 173 173 HOH HOH A . S 5 HOH 38 179 179 HOH HOH A . T 5 HOH 1 124 5 HOH HOH B . T 5 HOH 2 125 7 HOH HOH B . T 5 HOH 3 126 9 HOH HOH B . T 5 HOH 4 127 10 HOH HOH B . T 5 HOH 5 128 128 HOH HOH B . T 5 HOH 6 129 129 HOH HOH B . T 5 HOH 7 130 130 HOH HOH B . T 5 HOH 8 131 18 HOH HOH B . T 5 HOH 9 132 19 HOH HOH B . T 5 HOH 10 133 24 HOH HOH B . T 5 HOH 11 134 26 HOH HOH B . T 5 HOH 12 135 33 HOH HOH B . T 5 HOH 13 136 35 HOH HOH B . T 5 HOH 14 137 36 HOH HOH B . T 5 HOH 15 138 38 HOH HOH B . T 5 HOH 16 139 40 HOH HOH B . T 5 HOH 17 140 41 HOH HOH B . T 5 HOH 18 141 55 HOH HOH B . T 5 HOH 19 142 56 HOH HOH B . T 5 HOH 20 143 143 HOH HOH B . T 5 HOH 21 144 57 HOH HOH B . T 5 HOH 22 145 145 HOH HOH B . T 5 HOH 23 146 58 HOH HOH B . T 5 HOH 24 147 62 HOH HOH B . T 5 HOH 25 148 148 HOH HOH B . T 5 HOH 26 149 67 HOH HOH B . T 5 HOH 27 150 85 HOH HOH B . T 5 HOH 28 151 100 HOH HOH B . T 5 HOH 29 152 152 HOH HOH B . T 5 HOH 30 153 101 HOH HOH B . T 5 HOH 31 154 102 HOH HOH B . T 5 HOH 32 155 103 HOH HOH B . T 5 HOH 33 156 105 HOH HOH B . T 5 HOH 34 157 107 HOH HOH B . T 5 HOH 35 158 158 HOH HOH B . T 5 HOH 36 159 112 HOH HOH B . T 5 HOH 37 160 113 HOH HOH B . T 5 HOH 38 161 120 HOH HOH B . T 5 HOH 39 162 123 HOH HOH B . T 5 HOH 40 164 164 HOH HOH B . T 5 HOH 41 165 165 HOH HOH B . T 5 HOH 42 166 166 HOH HOH B . T 5 HOH 43 167 167 HOH HOH B . T 5 HOH 44 176 176 HOH HOH B . T 5 HOH 45 177 177 HOH HOH B . T 5 HOH 46 178 178 HOH HOH B . T 5 HOH 47 180 180 HOH HOH B . U 5 HOH 1 1 1 HOH HOH C . U 5 HOH 2 124 124 HOH HOH C . U 5 HOH 3 125 16 HOH HOH C . U 5 HOH 4 126 22 HOH HOH C . U 5 HOH 5 127 127 HOH HOH C . U 5 HOH 6 128 23 HOH HOH C . U 5 HOH 7 129 28 HOH HOH C . U 5 HOH 8 130 31 HOH HOH C . U 5 HOH 9 131 39 HOH HOH C . U 5 HOH 10 132 43 HOH HOH C . U 5 HOH 11 133 44 HOH HOH C . U 5 HOH 12 134 134 HOH HOH C . U 5 HOH 13 135 49 HOH HOH C . U 5 HOH 14 136 136 HOH HOH C . U 5 HOH 15 137 50 HOH HOH C . U 5 HOH 16 138 52 HOH HOH C . U 5 HOH 17 139 54 HOH HOH C . U 5 HOH 18 140 140 HOH HOH C . U 5 HOH 19 141 141 HOH HOH C . U 5 HOH 20 142 59 HOH HOH C . U 5 HOH 21 143 60 HOH HOH C . U 5 HOH 22 144 64 HOH HOH C . U 5 HOH 23 145 65 HOH HOH C . U 5 HOH 24 146 66 HOH HOH C . U 5 HOH 25 147 147 HOH HOH C . U 5 HOH 26 148 73 HOH HOH C . U 5 HOH 27 149 76 HOH HOH C . U 5 HOH 28 150 78 HOH HOH C . U 5 HOH 29 151 80 HOH HOH C . U 5 HOH 30 152 82 HOH HOH C . U 5 HOH 31 153 95 HOH HOH C . U 5 HOH 32 154 154 HOH HOH C . U 5 HOH 33 155 98 HOH HOH C . U 5 HOH 34 156 156 HOH HOH C . U 5 HOH 35 157 157 HOH HOH C . U 5 HOH 36 158 106 HOH HOH C . U 5 HOH 37 159 115 HOH HOH C . U 5 HOH 38 160 116 HOH HOH C . U 5 HOH 39 161 161 HOH HOH C . U 5 HOH 40 162 162 HOH HOH C . U 5 HOH 41 163 117 HOH HOH C . U 5 HOH 42 164 118 HOH HOH C . U 5 HOH 43 165 119 HOH HOH C . U 5 HOH 44 166 122 HOH HOH C . U 5 HOH 45 171 171 HOH HOH C . U 5 HOH 46 174 174 HOH HOH C . U 5 HOH 47 181 181 HOH HOH C . U 5 HOH 48 182 182 HOH HOH C . V 5 HOH 1 124 2 HOH HOH D . V 5 HOH 2 125 125 HOH HOH D . V 5 HOH 3 126 3 HOH HOH D . V 5 HOH 4 127 4 HOH HOH D . V 5 HOH 5 128 8 HOH HOH D . V 5 HOH 6 129 11 HOH HOH D . V 5 HOH 7 130 14 HOH HOH D . V 5 HOH 8 131 15 HOH HOH D . V 5 HOH 9 132 17 HOH HOH D . V 5 HOH 10 133 133 HOH HOH D . V 5 HOH 11 134 21 HOH HOH D . V 5 HOH 12 135 27 HOH HOH D . V 5 HOH 13 136 29 HOH HOH D . V 5 HOH 14 137 137 HOH HOH D . V 5 HOH 15 138 30 HOH HOH D . V 5 HOH 16 139 139 HOH HOH D . V 5 HOH 17 140 34 HOH HOH D . V 5 HOH 18 141 37 HOH HOH D . V 5 HOH 19 142 42 HOH HOH D . V 5 HOH 20 143 53 HOH HOH D . V 5 HOH 21 144 61 HOH HOH D . V 5 HOH 22 145 69 HOH HOH D . V 5 HOH 23 146 72 HOH HOH D . V 5 HOH 24 147 77 HOH HOH D . V 5 HOH 25 148 83 HOH HOH D . V 5 HOH 26 149 87 HOH HOH D . V 5 HOH 27 150 150 HOH HOH D . V 5 HOH 28 151 151 HOH HOH D . V 5 HOH 29 152 91 HOH HOH D . V 5 HOH 30 153 153 HOH HOH D . V 5 HOH 31 154 92 HOH HOH D . V 5 HOH 32 155 155 HOH HOH D . V 5 HOH 33 156 93 HOH HOH D . V 5 HOH 34 157 96 HOH HOH D . V 5 HOH 35 158 108 HOH HOH D . V 5 HOH 36 160 160 HOH HOH D . V 5 HOH 37 161 110 HOH HOH D . V 5 HOH 38 162 114 HOH HOH D . V 5 HOH 39 163 163 HOH HOH D . V 5 HOH 40 169 169 HOH HOH D . V 5 HOH 41 170 170 HOH HOH D . V 5 HOH 42 175 175 HOH HOH D . V 5 HOH 43 183 183 HOH HOH D . V 5 HOH 44 184 184 HOH HOH D . # 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 A ASN 16 A ASN 17 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 16 B ASN 17 ? ASN 'GLYCOSYLATION SITE' 3 C ASN 16 C ASN 17 ? ASN 'GLYCOSYLATION SITE' 4 D ASN 16 D ASN 17 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details tetrameric _pdbx_struct_assembly.oligomeric_count 4 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 12670 ? 1 MORE -101 ? 1 'SSA (A^2)' 19650 ? # _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_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 2011-12-28 2 'Structure model' 1 1 2017-11-22 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 2 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_software.classification' 2 2 'Structure model' '_software.contact_author' 3 2 'Structure model' '_software.contact_author_email' 4 2 'Structure model' '_software.date' 5 2 'Structure model' '_software.language' 6 2 'Structure model' '_software.location' 7 2 'Structure model' '_software.name' 8 2 'Structure model' '_software.type' 9 2 'Structure model' '_software.version' # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 DENZO . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data reduction' http://www.hkl-xray.com/ ? ? 2 SCALEPACK . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data scaling' http://www.hkl-xray.com/ ? ? 3 REFMAC . ? program 'Garib N. Murshudov' garib@ysbl.york.ac.uk refinement http://www.ccp4.ac.uk/dist/html/refmac5.html Fortran_77 ? 4 PDB_EXTRACT 3.10 'June 10, 2010' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 5 HKL-2000 . ? ? ? ? 'data reduction' ? ? ? 6 MOLREP . ? ? ? ? phasing ? ? ? # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CD _pdbx_validate_rmsd_bond.auth_asym_id_1 C _pdbx_validate_rmsd_bond.auth_comp_id_1 GLU _pdbx_validate_rmsd_bond.auth_seq_id_1 91 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 OE2 _pdbx_validate_rmsd_bond.auth_asym_id_2 C _pdbx_validate_rmsd_bond.auth_comp_id_2 GLU _pdbx_validate_rmsd_bond.auth_seq_id_2 91 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.184 _pdbx_validate_rmsd_bond.bond_target_value 1.252 _pdbx_validate_rmsd_bond.bond_deviation -0.068 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.011 _pdbx_validate_rmsd_bond.linker_flag N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A ASP 105 ? ? CG A ASP 105 ? ? OD2 A ASP 105 ? ? 125.22 118.30 6.92 0.90 N 2 1 NE C ARG 100 ? ? CZ C ARG 100 ? ? NH1 C ARG 100 ? ? 124.75 120.30 4.45 0.50 N 3 1 NE C ARG 100 ? ? CZ C ARG 100 ? ? NH2 C ARG 100 ? ? 116.46 120.30 -3.84 0.50 N # 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 LYS B 58 ? ? 31.25 53.16 2 1 LYS C 58 ? ? 27.45 61.21 3 1 ASN D 24 ? ? -47.65 166.23 4 1 LYS D 58 ? ? 31.97 54.22 5 1 ARG D 87 ? ? -13.02 -73.27 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 C ASN 42 ? CG ? C ASN 41 CG 2 1 Y 1 C ASN 42 ? OD1 ? C ASN 41 OD1 3 1 Y 1 C ASN 42 ? ND2 ? C ASN 41 ND2 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 B ARG 2 ? B ARG 1 2 1 Y 1 D ARG 2 ? D ARG 1 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 '5-{(3aS,4S,6aR)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid' VHI 3 N-ACETYL-D-GLUCOSAMINE NAG 4 'SULFATE ION' SO4 5 water HOH #