data_6DR5
# 
_entry.id   6DR5 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    4.073 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   6DR5         
WWPDB D_1000235107 
# 
_pdbx_database_status.status_code                     HPUB 
_pdbx_database_status.status_code_sf                  HPUB 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        6DR5 
_pdbx_database_status.recvd_initial_deposition_date   2018-06-11 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Salveson, P.J.' 1 0000-0003-0962-6010 
'Nowick, J.S.'   2 0000-0002-2273-1029 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36 containing the I31V point mutation' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Salveson, P.J.' 1 
primary 'Nowick, J.S.'   2 
# 
_cell.entry_id           6DR5 
_cell.length_a           57.831 
_cell.length_b           57.831 
_cell.length_c           61.846 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        120.00 
_cell.Z_PDB              36 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         6DR5 
_symmetry.space_group_name_H-M             'P 31 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                152 
# 
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     syn ORT-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORT-ALA-CHG-ILE-GLY-LEU-ORA-VAL 1811.216 6  ? ? ? ? 
2 non-polymer syn '(4S)-2-METHYL-2,4-PENTANEDIOL'                                 118.174  3  ? ? ? ? 
3 water       nat water                                                           18.015   38 ? ? ? ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   yes 
_entity_poly.pdbx_seq_one_letter_code       '(ORN)CVF(MEA)CED(ORN)A(CHG)IGL(ORN)V' 
_entity_poly.pdbx_seq_one_letter_code_can   ACVFFCEDAAXIGLAV 
_entity_poly.pdbx_strand_id                 A,B,C,D,E,F 
_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  ORN n 
1 2  CYS n 
1 3  VAL n 
1 4  PHE n 
1 5  MEA n 
1 6  CYS n 
1 7  GLU n 
1 8  ASP n 
1 9  ORN n 
1 10 ALA n 
1 11 CHG n 
1 12 ILE n 
1 13 GLY n 
1 14 LEU n 
1 15 ORN n 
1 16 VAL n 
# 
_pdbx_entity_src_syn.entity_id              1 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       16 
_pdbx_entity_src_syn.organism_scientific    'Homo sapiens' 
_pdbx_entity_src_syn.organism_common_name   Human 
_pdbx_entity_src_syn.ncbi_taxonomy_id       9606 
_pdbx_entity_src_syn.details                ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    6DR5 
_struct_ref.pdbx_db_accession          6DR5 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   ? 
_struct_ref.pdbx_align_begin           1 
# 
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 6DR5 A 1 ? 16 ? 6DR5 1 ? 16 ? 1 16 
2 1 6DR5 B 1 ? 16 ? 6DR5 1 ? 16 ? 1 16 
3 1 6DR5 C 1 ? 16 ? 6DR5 1 ? 16 ? 1 16 
4 1 6DR5 D 1 ? 16 ? 6DR5 1 ? 16 ? 1 16 
5 1 6DR5 E 1 ? 16 ? 6DR5 1 ? 16 ? 1 16 
6 1 6DR5 F 1 ? 16 ? 6DR5 1 ? 16 ? 1 16 
# 
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  
ASP 'L-peptide linking' y 'ASPARTIC ACID'                 ? 'C4 H7 N O4'   133.103 
CHG 'L-peptide linking' . CYCLOHEXYL-GLYCINE              ? 'C8 H15 N O2'  157.210 
CYS 'L-peptide linking' y CYSTEINE                        ? 'C3 H7 N O2 S' 121.158 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                 ? 'C5 H9 N O4'   147.129 
GLY 'peptide linking'   y GLYCINE                         ? 'C2 H5 N O2'   75.067  
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 
MEA 'L-peptide linking' n N-METHYLPHENYLALANINE           ? 'C10 H13 N O2' 179.216 
MPD non-polymer         . '(4S)-2-METHYL-2,4-PENTANEDIOL' ? 'C6 H14 O2'    118.174 
ORN 'L-peptide linking' n L-ornithine                     ? 'C5 H12 N2 O2' 132.161 
PHE 'L-peptide linking' y PHENYLALANINE                   ? 'C9 H11 N O2'  165.189 
VAL 'L-peptide linking' y VALINE                          ? 'C5 H11 N O2'  117.146 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   6DR5 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                      ? 
_exptl_crystal.density_diffrn              ? 
_exptl_crystal.density_Matthews            2.75 
_exptl_crystal.density_method              ? 
_exptl_crystal.density_percent_sol         55.23 
_exptl_crystal.description                 ? 
_exptl_crystal.F_000                       ? 
_exptl_crystal.id                          1 
_exptl_crystal.preparation                 ? 
_exptl_crystal.size_max                    ? 
_exptl_crystal.size_mid                    ? 
_exptl_crystal.size_min                    ? 
_exptl_crystal.size_rad                    ? 
_exptl_crystal.colour_lustre               ? 
_exptl_crystal.colour_modifier             ? 
_exptl_crystal.colour_primary              ? 
_exptl_crystal.density_meas                ? 
_exptl_crystal.density_meas_esd            ? 
_exptl_crystal.density_meas_gt             ? 
_exptl_crystal.density_meas_lt             ? 
_exptl_crystal.density_meas_temp           ? 
_exptl_crystal.density_meas_temp_esd       ? 
_exptl_crystal.density_meas_temp_gt        ? 
_exptl_crystal.density_meas_temp_lt        ? 
_exptl_crystal.pdbx_crystal_image_url      ? 
_exptl_crystal.pdbx_crystal_image_format   ? 
_exptl_crystal.pdbx_mosaicity              ? 
_exptl_crystal.pdbx_mosaicity_esd          ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp            296 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2 M ammonium acetate, 0.1 M bis-tris pH 5, 47% (v/v) 2-methyl-2,4-pentanediol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.ambient_environment    ? 
_diffrn.ambient_temp           123 
_diffrn.ambient_temp_details   ? 
_diffrn.ambient_temp_esd       ? 
_diffrn.crystal_id             1 
_diffrn.crystal_support        ? 
_diffrn.crystal_treatment      ? 
_diffrn.details                ? 
_diffrn.id                     1 
_diffrn.ambient_pressure       ? 
_diffrn.ambient_pressure_esd   ? 
_diffrn.ambient_pressure_gt    ? 
_diffrn.ambient_pressure_lt    ? 
_diffrn.ambient_temp_gt        ? 
_diffrn.ambient_temp_lt        ? 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'RIGAKU SATURN 92' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2017-11-22 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.54 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU MICROMAX-007 HF' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.54 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate            ? 
_reflns.entry_id                         6DR5 
_reflns.data_reduction_details           ? 
_reflns.data_reduction_method            ? 
_reflns.d_resolution_high                2.079 
_reflns.d_resolution_low                 38.9 
_reflns.details                          ? 
_reflns.limit_h_max                      ? 
_reflns.limit_h_min                      ? 
_reflns.limit_k_max                      ? 
_reflns.limit_k_min                      ? 
_reflns.limit_l_max                      ? 
_reflns.limit_l_min                      ? 
_reflns.number_all                       ? 
_reflns.number_obs                       13934 
_reflns.observed_criterion               ? 
_reflns.observed_criterion_F_max         ? 
_reflns.observed_criterion_F_min         ? 
_reflns.observed_criterion_I_max         ? 
_reflns.observed_criterion_I_min         ? 
_reflns.observed_criterion_sigma_F       ? 
_reflns.observed_criterion_sigma_I       ? 
_reflns.percent_possible_obs             99.9 
_reflns.R_free_details                   ? 
_reflns.Rmerge_F_all                     ? 
_reflns.Rmerge_F_obs                     ? 
_reflns.Friedel_coverage                 ? 
_reflns.number_gt                        ? 
_reflns.threshold_expression             ? 
_reflns.pdbx_redundancy                  24.8 
_reflns.pdbx_Rmerge_I_obs                ? 
_reflns.pdbx_Rmerge_I_all                ? 
_reflns.pdbx_Rsym_value                  ? 
_reflns.pdbx_netI_over_av_sigmaI         ? 
_reflns.pdbx_netI_over_sigmaI            78.3 
_reflns.pdbx_res_netI_over_av_sigmaI_2   ? 
_reflns.pdbx_res_netI_over_sigmaI_2      ? 
_reflns.pdbx_chi_squared                 ? 
_reflns.pdbx_scaling_rejects             ? 
_reflns.pdbx_d_res_high_opt              ? 
_reflns.pdbx_d_res_low_opt               ? 
_reflns.pdbx_d_res_opt_method            ? 
_reflns.phase_calculation_details        ? 
_reflns.pdbx_Rrim_I_all                  ? 
_reflns.pdbx_Rpim_I_all                  ? 
_reflns.pdbx_d_opt                       ? 
_reflns.pdbx_number_measured_all         ? 
_reflns.pdbx_diffrn_id                   1 
_reflns.pdbx_ordinal                     1 
_reflns.pdbx_CC_half                     ? 
_reflns.pdbx_R_split                     ? 
# 
_reflns_shell.d_res_high                  2.08 
_reflns_shell.d_res_low                   2.14 
_reflns_shell.meanI_over_sigI_all         ? 
_reflns_shell.meanI_over_sigI_obs         27.9 
_reflns_shell.number_measured_all         ? 
_reflns_shell.number_measured_obs         ? 
_reflns_shell.number_possible             ? 
_reflns_shell.number_unique_all           ? 
_reflns_shell.number_unique_obs           577 
_reflns_shell.percent_possible_all        99.5 
_reflns_shell.percent_possible_obs        ? 
_reflns_shell.Rmerge_F_all                ? 
_reflns_shell.Rmerge_F_obs                ? 
_reflns_shell.Rmerge_I_all                ? 
_reflns_shell.Rmerge_I_obs                ? 
_reflns_shell.meanI_over_sigI_gt          ? 
_reflns_shell.meanI_over_uI_all           ? 
_reflns_shell.meanI_over_uI_gt            ? 
_reflns_shell.number_measured_gt          ? 
_reflns_shell.number_unique_gt            ? 
_reflns_shell.percent_possible_gt         ? 
_reflns_shell.Rmerge_F_gt                 ? 
_reflns_shell.Rmerge_I_gt                 ? 
_reflns_shell.pdbx_redundancy             17.3 
_reflns_shell.pdbx_Rsym_value             ? 
_reflns_shell.pdbx_chi_squared            ? 
_reflns_shell.pdbx_netI_over_sigmaI_all   ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs   ? 
_reflns_shell.pdbx_Rrim_I_all             ? 
_reflns_shell.pdbx_Rpim_I_all             ? 
_reflns_shell.pdbx_rejects                ? 
_reflns_shell.pdbx_ordinal                1 
_reflns_shell.pdbx_diffrn_id              1 
_reflns_shell.pdbx_CC_half                ? 
_reflns_shell.pdbx_R_split                ? 
# 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.entry_id                                 6DR5 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.ls_number_reflns_obs                     13934 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.35 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             28.916 
_refine.ls_d_res_high                            2.079 
_refine.ls_percent_reflns_obs                    99.91 
_refine.ls_R_factor_obs                          0.1760 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       0.1718 
_refine.ls_R_factor_R_free                       0.2147 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 9.81 
_refine.ls_number_reflns_R_free                  745 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.B_iso_mean                               ? 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_solvent_vdw_probe_radii             1.11 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.details                                  ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          SAD 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.overall_SU_ML                            0.22 
_refine.pdbx_overall_phase_error                 20.87 
_refine.overall_SU_B                             ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        750 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         24 
_refine_hist.number_atoms_solvent             38 
_refine_hist.number_atoms_total               812 
_refine_hist.d_res_high                       2.079 
_refine_hist.d_res_low                        28.916 
# 
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 
f_bond_d           0.008  ? ? 798  'X-RAY DIFFRACTION' ? 
f_angle_d          1.566  ? ? 1060 'X-RAY DIFFRACTION' ? 
f_dihedral_angle_d 30.282 ? ? 543  'X-RAY DIFFRACTION' ? 
f_chiral_restr     0.230  ? ? 125  'X-RAY DIFFRACTION' ? 
f_plane_restr      0.005  ? ? 121  'X-RAY DIFFRACTION' ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.R_factor_R_free 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.number_reflns_obs 
'X-RAY DIFFRACTION' . 2.0792 2.1535  1260 0.1981 99.00  0.2911 . . 141 . . ? ? 
'X-RAY DIFFRACTION' . 2.1535 2.2397  1265 0.1865 100.00 0.2468 . . 136 . . ? ? 
'X-RAY DIFFRACTION' . 2.2397 2.3416  1254 0.1629 100.00 0.2270 . . 140 . . ? ? 
'X-RAY DIFFRACTION' . 2.3416 2.4650  1243 0.1657 100.00 0.2524 . . 138 . . ? ? 
'X-RAY DIFFRACTION' . 2.4650 2.6193  1269 0.1690 100.00 0.2264 . . 137 . . ? ? 
'X-RAY DIFFRACTION' . 2.6193 2.8214  1237 0.1838 100.00 0.2022 . . 139 . . ? ? 
'X-RAY DIFFRACTION' . 2.8214 3.1051  1263 0.1695 100.00 0.2297 . . 135 . . ? ? 
'X-RAY DIFFRACTION' . 3.1051 3.5537  1255 0.1647 100.00 0.2132 . . 138 . . ? ? 
'X-RAY DIFFRACTION' . 3.5537 4.4746  1251 0.1499 100.00 0.1676 . . 147 . . ? ? 
'X-RAY DIFFRACTION' . 4.4746 28.9183 1270 0.1891 100.00 0.2217 . . 116 . . ? ? 
# 
_struct.entry_id                     6DR5 
_struct.title                        
'X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36 containing the I31Chg point mutation' 
_struct.pdbx_descriptor              ORT-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORT-ALA-CHG-ILE-GLY-LEU-ORA-VAL 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        6DR5 
_struct_keywords.text            'Amyloid, Alzheimers Disease, Abeta, oligomer, DE NOVO PROTEIN' 
_struct_keywords.pdbx_keywords   'DE NOVO 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 1 ? 
F N N 1 ? 
G N N 2 ? 
H N N 2 ? 
I N N 2 ? 
J N N 3 ? 
K N N 3 ? 
L N N 3 ? 
M N N 3 ? 
N N N 3 ? 
O N N 3 ? 
# 
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 2  SG ? ? ? 1_555 B CYS 6  SG ? ? A CYS 2  B CYS 6  1_555 ? ? ? ? ? ? ? 2.037 ? 
disulf2  disulf ?    ? A CYS 6  SG ? ? ? 1_555 C CYS 2  SG ? ? A CYS 6  C CYS 2  1_555 ? ? ? ? ? ? ? 2.036 ? 
disulf3  disulf ?    ? B CYS 2  SG ? ? ? 1_555 C CYS 6  SG ? ? B CYS 2  C CYS 6  1_555 ? ? ? ? ? ? ? 2.025 ? 
disulf4  disulf ?    ? D CYS 2  SG ? ? ? 1_555 E CYS 6  SG ? ? D CYS 2  E CYS 6  5_555 ? ? ? ? ? ? ? 2.015 ? 
disulf5  disulf ?    ? D CYS 6  SG ? ? ? 1_555 F CYS 2  SG ? ? D CYS 6  F CYS 2  3_664 ? ? ? ? ? ? ? 2.040 ? 
disulf6  disulf ?    ? E CYS 2  SG ? ? ? 1_555 F CYS 6  SG ? ? E CYS 2  F CYS 6  4_546 ? ? ? ? ? ? ? 2.037 ? 
covale1  covale both ? A ORN 1  NE ? ? ? 1_555 A VAL 16 C  ? ? A ORN 1  A VAL 16 1_555 ? ? ? ? ? ? ? 1.378 ? 
covale2  covale both ? A ORN 1  C  ? ? ? 1_555 A CYS 2  N  ? ? A ORN 1  A CYS 2  1_555 ? ? ? ? ? ? ? 1.369 ? 
covale3  covale both ? A PHE 4  C  ? ? ? 1_555 A MEA 5  N  ? ? A PHE 4  A MEA 5  1_555 ? ? ? ? ? ? ? 1.336 ? 
covale4  covale both ? A MEA 5  C  ? ? ? 1_555 A CYS 6  N  ? ? A MEA 5  A CYS 6  1_555 ? ? ? ? ? ? ? 1.335 ? 
covale5  covale both ? A ASP 8  C  ? ? ? 1_555 A ORN 9  NE ? ? A ASP 8  A ORN 9  1_555 ? ? ? ? ? ? ? 1.377 ? 
covale6  covale both ? A ORN 9  C  ? ? ? 1_555 A ALA 10 N  ? ? A ORN 9  A ALA 10 1_555 ? ? ? ? ? ? ? 1.372 ? 
covale7  covale both ? A ALA 10 C  ? ? ? 1_555 A CHG 11 N  ? ? A ALA 10 A CHG 11 1_555 ? ? ? ? ? ? ? 1.335 ? 
covale8  covale both ? A CHG 11 C  ? ? ? 1_555 A ILE 12 N  ? ? A CHG 11 A ILE 12 1_555 ? ? ? ? ? ? ? 1.330 ? 
covale9  covale both ? A LEU 14 C  ? ? ? 1_555 A ORN 15 N  ? ? A LEU 14 A ORN 15 1_555 ? ? ? ? ? ? ? 1.332 ? 
covale10 covale both ? A ORN 15 C  ? ? ? 1_555 A VAL 16 N  ? ? A ORN 15 A VAL 16 1_555 ? ? ? ? ? ? ? 1.320 ? 
covale11 covale both ? B ORN 1  NE ? ? ? 1_555 B VAL 16 C  ? ? B ORN 1  B VAL 16 1_555 ? ? ? ? ? ? ? 1.378 ? 
covale12 covale both ? B ORN 1  C  ? ? ? 1_555 B CYS 2  N  ? ? B ORN 1  B CYS 2  1_555 ? ? ? ? ? ? ? 1.373 ? 
covale13 covale both ? B PHE 4  C  ? ? ? 1_555 B MEA 5  N  ? ? B PHE 4  B MEA 5  1_555 ? ? ? ? ? ? ? 1.339 ? 
covale14 covale both ? B MEA 5  C  ? ? ? 1_555 B CYS 6  N  ? ? B MEA 5  B CYS 6  1_555 ? ? ? ? ? ? ? 1.328 ? 
covale15 covale both ? B ASP 8  C  ? ? ? 1_555 B ORN 9  NE ? ? B ASP 8  B ORN 9  1_555 ? ? ? ? ? ? ? 1.376 ? 
covale16 covale both ? B ORN 9  C  ? ? ? 1_555 B ALA 10 N  ? ? B ORN 9  B ALA 10 1_555 ? ? ? ? ? ? ? 1.371 ? 
covale17 covale both ? B ALA 10 C  ? ? ? 1_555 B CHG 11 N  ? ? B ALA 10 B CHG 11 1_555 ? ? ? ? ? ? ? 1.337 ? 
covale18 covale both ? B CHG 11 C  ? ? ? 1_555 B ILE 12 N  ? ? B CHG 11 B ILE 12 1_555 ? ? ? ? ? ? ? 1.331 ? 
covale19 covale both ? B LEU 14 C  ? ? ? 1_555 B ORN 15 N  ? ? B LEU 14 B ORN 15 1_555 ? ? ? ? ? ? ? 1.335 ? 
covale20 covale both ? B ORN 15 C  ? ? ? 1_555 B VAL 16 N  ? ? B ORN 15 B VAL 16 1_555 ? ? ? ? ? ? ? 1.329 ? 
covale21 covale both ? C ORN 1  NE ? ? ? 1_555 C VAL 16 C  ? ? C ORN 1  C VAL 16 1_555 ? ? ? ? ? ? ? 1.375 ? 
covale22 covale both ? C ORN 1  C  ? ? ? 1_555 C CYS 2  N  ? ? C ORN 1  C CYS 2  1_555 ? ? ? ? ? ? ? 1.373 ? 
covale23 covale both ? C PHE 4  C  ? ? ? 1_555 C MEA 5  N  ? ? C PHE 4  C MEA 5  1_555 ? ? ? ? ? ? ? 1.331 ? 
covale24 covale both ? C MEA 5  C  ? ? ? 1_555 C CYS 6  N  ? ? C MEA 5  C CYS 6  1_555 ? ? ? ? ? ? ? 1.333 ? 
covale25 covale both ? C ASP 8  C  ? ? ? 1_555 C ORN 9  NE ? ? C ASP 8  C ORN 9  1_555 ? ? ? ? ? ? ? 1.376 ? 
covale26 covale both ? C ORN 9  C  ? ? ? 1_555 C ALA 10 N  ? ? C ORN 9  C ALA 10 1_555 ? ? ? ? ? ? ? 1.371 ? 
covale27 covale both ? C ALA 10 C  ? ? ? 1_555 C CHG 11 N  ? ? C ALA 10 C CHG 11 1_555 ? ? ? ? ? ? ? 1.336 ? 
covale28 covale both ? C CHG 11 C  ? ? ? 1_555 C ILE 12 N  ? ? C CHG 11 C ILE 12 1_555 ? ? ? ? ? ? ? 1.330 ? 
covale29 covale both ? C LEU 14 C  ? ? ? 1_555 C ORN 15 N  ? ? C LEU 14 C ORN 15 1_555 ? ? ? ? ? ? ? 1.332 ? 
covale30 covale both ? C ORN 15 C  ? ? ? 1_555 C VAL 16 N  ? ? C ORN 15 C VAL 16 1_555 ? ? ? ? ? ? ? 1.327 ? 
covale31 covale both ? D ORN 1  NE ? ? ? 1_555 D VAL 16 C  ? ? D ORN 1  D VAL 16 1_555 ? ? ? ? ? ? ? 1.370 ? 
covale32 covale both ? D ORN 1  C  ? ? ? 1_555 D CYS 2  N  ? ? D ORN 1  D CYS 2  1_555 ? ? ? ? ? ? ? 1.373 ? 
covale33 covale both ? D PHE 4  C  ? ? ? 1_555 D MEA 5  N  ? ? D PHE 4  D MEA 5  1_555 ? ? ? ? ? ? ? 1.335 ? 
covale34 covale both ? D MEA 5  C  ? ? ? 1_555 D CYS 6  N  ? ? D MEA 5  D CYS 6  1_555 ? ? ? ? ? ? ? 1.329 ? 
covale35 covale both ? D ASP 8  C  ? ? ? 1_555 D ORN 9  NE ? ? D ASP 8  D ORN 9  1_555 ? ? ? ? ? ? ? 1.375 ? 
covale36 covale both ? D ORN 9  C  ? ? ? 1_555 D ALA 10 N  ? ? D ORN 9  D ALA 10 1_555 ? ? ? ? ? ? ? 1.367 ? 
covale37 covale both ? D ALA 10 C  ? ? ? 1_555 D CHG 11 N  ? ? D ALA 10 D CHG 11 1_555 ? ? ? ? ? ? ? 1.332 ? 
covale38 covale both ? D CHG 11 C  ? ? ? 1_555 D ILE 12 N  ? ? D CHG 11 D ILE 12 1_555 ? ? ? ? ? ? ? 1.335 ? 
covale39 covale both ? D LEU 14 C  ? ? ? 1_555 D ORN 15 N  ? ? D LEU 14 D ORN 15 1_555 ? ? ? ? ? ? ? 1.329 ? 
covale40 covale both ? D ORN 15 C  ? ? ? 1_555 D VAL 16 N  ? ? D ORN 15 D VAL 16 1_555 ? ? ? ? ? ? ? 1.328 ? 
covale41 covale both ? E ORN 1  NE ? ? ? 1_555 E VAL 16 C  ? ? E ORN 1  E VAL 16 1_555 ? ? ? ? ? ? ? 1.374 ? 
covale42 covale both ? E ORN 1  C  ? ? ? 1_555 E CYS 2  N  ? ? E ORN 1  E CYS 2  1_555 ? ? ? ? ? ? ? 1.376 ? 
covale43 covale both ? E PHE 4  C  ? ? ? 1_555 E MEA 5  N  ? ? E PHE 4  E MEA 5  1_555 ? ? ? ? ? ? ? 1.335 ? 
covale44 covale both ? E MEA 5  C  ? ? ? 1_555 E CYS 6  N  ? ? E MEA 5  E CYS 6  1_555 ? ? ? ? ? ? ? 1.329 ? 
covale45 covale both ? E ASP 8  C  ? ? ? 1_555 E ORN 9  NE ? ? E ASP 8  E ORN 9  1_555 ? ? ? ? ? ? ? 1.376 ? 
covale46 covale both ? E ORN 9  C  ? ? ? 1_555 E ALA 10 N  ? ? E ORN 9  E ALA 10 1_555 ? ? ? ? ? ? ? 1.370 ? 
covale47 covale both ? E ALA 10 C  ? ? ? 1_555 E CHG 11 N  ? ? E ALA 10 E CHG 11 1_555 ? ? ? ? ? ? ? 1.329 ? 
covale48 covale both ? E CHG 11 C  ? ? ? 1_555 E ILE 12 N  ? ? E CHG 11 E ILE 12 1_555 ? ? ? ? ? ? ? 1.331 ? 
covale49 covale both ? E LEU 14 C  ? ? ? 1_555 E ORN 15 N  ? ? E LEU 14 E ORN 15 1_555 ? ? ? ? ? ? ? 1.330 ? 
covale50 covale both ? E ORN 15 C  ? ? ? 1_555 E VAL 16 N  ? ? E ORN 15 E VAL 16 1_555 ? ? ? ? ? ? ? 1.326 ? 
covale51 covale both ? F ORN 1  NE ? ? ? 1_555 F VAL 16 C  ? ? F ORN 1  F VAL 16 1_555 ? ? ? ? ? ? ? 1.372 ? 
covale52 covale both ? F ORN 1  C  ? ? ? 1_555 F CYS 2  N  ? ? F ORN 1  F CYS 2  1_555 ? ? ? ? ? ? ? 1.375 ? 
covale53 covale both ? F PHE 4  C  ? ? ? 1_555 F MEA 5  N  ? ? F PHE 4  F MEA 5  1_555 ? ? ? ? ? ? ? 1.336 ? 
covale54 covale both ? F MEA 5  C  ? ? ? 1_555 F CYS 6  N  ? ? F MEA 5  F CYS 6  1_555 ? ? ? ? ? ? ? 1.329 ? 
covale55 covale both ? F ASP 8  C  ? ? ? 1_555 F ORN 9  NE ? ? F ASP 8  F ORN 9  1_555 ? ? ? ? ? ? ? 1.380 ? 
covale56 covale both ? F ORN 9  C  ? ? ? 1_555 F ALA 10 N  ? ? F ORN 9  F ALA 10 1_555 ? ? ? ? ? ? ? 1.372 ? 
covale57 covale both ? F ALA 10 C  ? ? ? 1_555 F CHG 11 N  ? ? F ALA 10 F CHG 11 1_555 ? ? ? ? ? ? ? 1.326 ? 
covale58 covale both ? F CHG 11 C  ? ? ? 1_555 F ILE 12 N  ? ? F CHG 11 F ILE 12 1_555 ? ? ? ? ? ? ? 1.330 ? 
covale59 covale both ? F LEU 14 C  ? ? ? 1_555 F ORN 15 N  ? ? F LEU 14 F ORN 15 1_555 ? ? ? ? ? ? ? 1.336 ? 
covale60 covale both ? F ORN 15 C  ? ? ? 1_555 F VAL 16 N  ? ? F ORN 15 F VAL 16 1_555 ? ? ? ? ? ? ? 1.326 ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
# 
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 B MPD 101 ? 6  'binding site for residue MPD B 101'                
AC2 Software B MPD 102 ? 4  'binding site for residue MPD B 102'                
AC3 Software C MPD 101 ? 4  'binding site for residue MPD C 101'                
AC4 Software B ORN 1   ? 11 'binding site for Di-peptide ORN B 1 and VAL B 16'  
AC5 Software B ORN 1   ? 12 'binding site for Di-peptide ORN B 1 and CYS B 2'   
AC6 Software B PHE 4   ? 8  'binding site for Di-peptide PHE B 4 and MEA B 5'   
AC7 Software B MEA 5   ? 9  'binding site for Di-peptide MEA B 5 and CYS B 6'   
AC8 Software B ASP 8   ? 7  'binding site for Di-peptide ASP B 8 and ORN B 9'   
AC9 Software B ORN 9   ? 8  'binding site for Di-peptide ORN B 9 and ALA B 10'  
AD1 Software B ALA 10  ? 7  'binding site for Di-peptide ALA B 10 and CHG B 11' 
AD2 Software B CHG 11  ? 8  'binding site for Di-peptide CHG B 11 and ILE B 12' 
AD3 Software B LEU 14  ? 12 'binding site for Di-peptide LEU B 14 and ORN B 15' 
AD4 Software B ORN 15  ? 10 'binding site for Di-peptide ORN B 15 and VAL B 16' 
AD5 Software C ORN 1   ? 8  'binding site for Di-peptide ORN C 1 and VAL C 16'  
AD6 Software C ORN 1   ? 8  'binding site for Di-peptide ORN C 1 and CYS C 2'   
AD7 Software C PHE 4   ? 9  'binding site for Di-peptide PHE C 4 and MEA C 5'   
AD8 Software C MEA 5   ? 10 'binding site for Di-peptide MEA C 5 and CYS C 6'   
AD9 Software C ASP 8   ? 4  'binding site for Di-peptide ASP C 8 and ORN C 9'   
AE1 Software C ORN 9   ? 8  'binding site for Di-peptide ORN C 9 and ALA C 10'  
AE2 Software C ALA 10  ? 7  'binding site for Di-peptide ALA C 10 and CHG C 11' 
AE3 Software C CHG 11  ? 8  'binding site for Di-peptide CHG C 11 and ILE C 12' 
AE4 Software C LEU 14  ? 10 'binding site for Di-peptide LEU C 14 and ORN C 15' 
AE5 Software C ORN 15  ? 9  'binding site for Di-peptide ORN C 15 and VAL C 16' 
AE6 Software D ORN 1   ? 9  'binding site for Di-peptide ORN D 1 and CYS D 2'   
AE7 Software D ORN 1   ? 6  'binding site for Di-peptide ORN D 1 and VAL D 16'  
AE8 Software D PHE 4   ? 8  'binding site for Di-peptide PHE D 4 and MEA D 5'   
AE9 Software D MEA 5   ? 10 'binding site for Di-peptide MEA D 5 and CYS D 6'   
AF1 Software D ASP 8   ? 6  'binding site for Di-peptide ASP D 8 and ORN D 9'   
AF2 Software D ORN 9   ? 9  'binding site for Di-peptide ORN D 9 and ALA D 10'  
AF3 Software D ALA 10  ? 7  'binding site for Di-peptide ALA D 10 and CHG D 11' 
AF4 Software D CHG 11  ? 7  'binding site for Di-peptide CHG D 11 and ILE D 12' 
AF5 Software D LEU 14  ? 7  'binding site for Di-peptide LEU D 14 and ORN D 15' 
AF6 Software D ORN 15  ? 3  'binding site for Di-peptide ORN D 15 and VAL D 16' 
AF7 Software E ORN 1   ? 11 'binding site for Di-peptide ORN E 1 and CYS E 2'   
AF8 Software E ORN 1   ? 9  'binding site for Di-peptide ORN E 1 and VAL E 16'  
AF9 Software E PHE 4   ? 9  'binding site for Di-peptide PHE E 4 and MEA E 5'   
AG1 Software E MEA 5   ? 10 'binding site for Di-peptide MEA E 5 and CYS E 6'   
AG2 Software E ASP 8   ? 5  'binding site for Di-peptide ASP E 8 and ORN E 9'   
AG3 Software E ORN 9   ? 7  'binding site for Di-peptide ORN E 9 and ALA E 10'  
AG4 Software E ALA 10  ? 7  'binding site for Di-peptide ALA E 10 and CHG E 11' 
AG5 Software E CHG 11  ? 8  'binding site for Di-peptide CHG E 11 and ILE E 12' 
AG6 Software E LEU 14  ? 7  'binding site for Di-peptide LEU E 14 and ORN E 15' 
AG7 Software E ORN 15  ? 6  'binding site for Di-peptide ORN E 15 and VAL E 16' 
AG8 Software F ORN 1   ? 15 'binding site for Di-peptide ORN F 1 and CYS F 2'   
AG9 Software F ORN 1   ? 12 'binding site for Di-peptide ORN F 1 and VAL F 16'  
AH1 Software F PHE 4   ? 8  'binding site for Di-peptide PHE F 4 and MEA F 5'   
AH2 Software F MEA 5   ? 8  'binding site for Di-peptide MEA F 5 and CYS F 6'   
AH3 Software F ASP 8   ? 4  'binding site for Di-peptide ASP F 8 and ORN F 9'   
AH4 Software F ORN 9   ? 8  'binding site for Di-peptide ORN F 9 and ALA F 10'  
AH5 Software F ALA 10  ? 6  'binding site for Di-peptide ALA F 10 and CHG F 11' 
AH6 Software F CHG 11  ? 7  'binding site for Di-peptide CHG F 11 and ILE F 12' 
AH7 Software F LEU 14  ? 13 'binding site for Di-peptide LEU F 14 and ORN F 15' 
AH8 Software F ORN 15  ? 12 'binding site for Di-peptide ORN F 15 and VAL F 16' 
# 
loop_
_struct_site_gen.id 
_struct_site_gen.site_id 
_struct_site_gen.pdbx_num_res 
_struct_site_gen.label_comp_id 
_struct_site_gen.label_asym_id 
_struct_site_gen.label_seq_id 
_struct_site_gen.pdbx_auth_ins_code 
_struct_site_gen.auth_comp_id 
_struct_site_gen.auth_asym_id 
_struct_site_gen.auth_seq_id 
_struct_site_gen.label_atom_id 
_struct_site_gen.label_alt_id 
_struct_site_gen.symmetry 
_struct_site_gen.details 
1   AC1 6  ORN B 1  ? ORN B 1   . ? 1_555 ? 
2   AC1 6  ORN B 15 ? ORN B 15  . ? 1_555 ? 
3   AC1 6  HOH M .  ? HOH D 101 . ? 1_555 ? 
4   AC1 6  ORN F 1  ? ORN F 1   . ? 3_664 ? 
5   AC1 6  VAL F 3  ? VAL F 3   . ? 3_664 ? 
6   AC1 6  ORN F 15 ? ORN F 15  . ? 3_664 ? 
7   AC2 4  CYS B 2  ? CYS B 2   . ? 1_555 ? 
8   AC2 4  VAL B 16 ? VAL B 16  . ? 1_555 ? 
9   AC2 4  PHE E 4  ? PHE E 4   . ? 4_656 ? 
10  AC2 4  VAL E 16 ? VAL E 16  . ? 4_656 ? 
11  AC3 4  PHE C 4  ? PHE C 4   . ? 1_555 ? 
12  AC3 4  VAL C 16 ? VAL C 16  . ? 1_555 ? 
13  AC3 4  CYS D 2  ? CYS D 2   . ? 2_655 ? 
14  AC3 4  PHE D 4  ? PHE D 4   . ? 2_655 ? 
15  AC4 11 CYS B 2  ? CYS B 2   . ? 1_555 ? 
16  AC4 11 PHE B 4  ? PHE B 4   . ? 1_555 ? 
17  AC4 11 LEU B 14 ? LEU B 14  . ? 1_555 ? 
18  AC4 11 ORN B 15 ? ORN B 15  . ? 1_555 ? 
19  AC4 11 MPD G .  ? MPD B 101 . ? 1_555 ? 
20  AC4 11 MPD H .  ? MPD B 102 . ? 1_555 ? 
21  AC4 11 HOH K .  ? HOH B 206 . ? 1_555 ? 
22  AC4 11 CYS C 6  ? CYS C 6   . ? 1_555 ? 
23  AC4 11 GLU C 7  ? GLU C 7   . ? 1_555 ? 
24  AC4 11 HOH L .  ? HOH C 201 . ? 1_555 ? 
25  AC4 11 HOH L .  ? HOH C 203 . ? 1_555 ? 
26  AC5 12 VAL B 3  ? VAL B 3   . ? 1_555 ? 
27  AC5 12 LEU B 14 ? LEU B 14  . ? 1_555 ? 
28  AC5 12 ORN B 15 ? ORN B 15  . ? 1_555 ? 
29  AC5 12 VAL B 16 ? VAL B 16  . ? 1_555 ? 
30  AC5 12 MPD G .  ? MPD B 101 . ? 1_555 ? 
31  AC5 12 MPD H .  ? MPD B 102 . ? 1_555 ? 
32  AC5 12 HOH K .  ? HOH B 206 . ? 1_555 ? 
33  AC5 12 MEA C 5  ? MEA C 5   . ? 1_555 ? 
34  AC5 12 CYS C 6  ? CYS C 6   . ? 1_555 ? 
35  AC5 12 GLU C 7  ? GLU C 7   . ? 1_555 ? 
36  AC5 12 HOH L .  ? HOH C 201 . ? 1_555 ? 
37  AC5 12 HOH L .  ? HOH C 203 . ? 1_555 ? 
38  AC6 8  CYS A 2  ? CYS A 2   . ? 1_555 ? 
39  AC6 8  VAL A 3  ? VAL A 3   . ? 1_555 ? 
40  AC6 8  VAL B 3  ? VAL B 3   . ? 1_555 ? 
41  AC6 8  CYS B 6  ? CYS B 6   . ? 1_555 ? 
42  AC6 8  ILE B 12 ? ILE B 12  . ? 1_555 ? 
43  AC6 8  GLY B 13 ? GLY B 13  . ? 1_555 ? 
44  AC6 8  LEU B 14 ? LEU B 14  . ? 1_555 ? 
45  AC6 8  VAL B 16 ? VAL B 16  . ? 1_555 ? 
46  AC7 9  ORN A 1  ? ORN A 1   . ? 1_555 ? 
47  AC7 9  CYS A 2  ? CYS A 2   . ? 1_555 ? 
48  AC7 9  VAL A 3  ? VAL A 3   . ? 1_555 ? 
49  AC7 9  PHE B 4  ? PHE B 4   . ? 1_555 ? 
50  AC7 9  GLU B 7  ? GLU B 7   . ? 1_555 ? 
51  AC7 9  ALA B 10 ? ALA B 10  . ? 1_555 ? 
52  AC7 9  CHG B 11 ? CHG B 11  . ? 1_555 ? 
53  AC7 9  ILE B 12 ? ILE B 12  . ? 1_555 ? 
54  AC7 9  VAL F 16 ? VAL F 16  . ? 1_555 ? 
55  AC8 7  GLU B 7  ? GLU B 7   . ? 1_555 ? 
56  AC8 7  ALA B 10 ? ALA B 10  . ? 1_555 ? 
57  AC8 7  HOH K .  ? HOH B 202 . ? 1_555 ? 
58  AC8 7  HOH K .  ? HOH B 204 . ? 1_555 ? 
59  AC8 7  HOH K .  ? HOH B 207 . ? 1_555 ? 
60  AC8 7  ORN F 15 ? ORN F 15  . ? 1_555 ? 
61  AC8 7  HOH O .  ? HOH F 102 . ? 1_555 ? 
62  AC9 8  CYS B 6  ? CYS B 6   . ? 1_555 ? 
63  AC9 8  GLU B 7  ? GLU B 7   . ? 1_555 ? 
64  AC9 8  ASP B 8  ? ASP B 8   . ? 1_555 ? 
65  AC9 8  CHG B 11 ? CHG B 11  . ? 1_555 ? 
66  AC9 8  ILE B 12 ? ILE B 12  . ? 1_555 ? 
67  AC9 8  HOH K .  ? HOH B 202 . ? 1_555 ? 
68  AC9 8  ILE E 12 ? ILE E 12  . ? 1_555 ? 
69  AC9 8  GLY E 13 ? GLY E 13  . ? 1_555 ? 
70  AD1 7  CYS B 6  ? CYS B 6   . ? 1_555 ? 
71  AD1 7  GLU B 7  ? GLU B 7   . ? 1_555 ? 
72  AD1 7  ASP B 8  ? ASP B 8   . ? 1_555 ? 
73  AD1 7  ORN B 9  ? ORN B 9   . ? 1_555 ? 
74  AD1 7  ILE B 12 ? ILE B 12  . ? 1_555 ? 
75  AD1 7  ILE E 12 ? ILE E 12  . ? 1_555 ? 
76  AD1 7  GLY E 13 ? GLY E 13  . ? 1_555 ? 
77  AD2 8  PHE B 4  ? PHE B 4   . ? 1_555 ? 
78  AD2 8  MEA B 5  ? MEA B 5   . ? 1_555 ? 
79  AD2 8  CYS B 6  ? CYS B 6   . ? 1_555 ? 
80  AD2 8  ALA B 10 ? ALA B 10  . ? 1_555 ? 
81  AD2 8  GLY B 13 ? GLY B 13  . ? 1_555 ? 
82  AD2 8  LEU B 14 ? LEU B 14  . ? 1_555 ? 
83  AD2 8  ALA D 10 ? ALA D 10  . ? 1_555 ? 
84  AD2 8  GLY E 13 ? GLY E 13  . ? 1_555 ? 
85  AD3 12 CYS B 2  ? CYS B 2   . ? 1_555 ? 
86  AD3 12 VAL B 3  ? VAL B 3   . ? 1_555 ? 
87  AD3 12 PHE B 4  ? PHE B 4   . ? 1_555 ? 
88  AD3 12 ILE B 12 ? ILE B 12  . ? 1_555 ? 
89  AD3 12 GLY B 13 ? GLY B 13  . ? 1_555 ? 
90  AD3 12 VAL B 16 ? VAL B 16  . ? 1_555 ? 
91  AD3 12 MPD G .  ? MPD B 101 . ? 1_555 ? 
92  AD3 12 HOH K .  ? HOH B 203 . ? 1_555 ? 
93  AD3 12 HOH K .  ? HOH B 205 . ? 1_555 ? 
94  AD3 12 GLU D 7  ? GLU D 7   . ? 1_555 ? 
95  AD3 12 ORN D 9  ? ORN D 9   . ? 1_555 ? 
96  AD3 12 HOH M .  ? HOH D 103 . ? 1_555 ? 
97  AD4 10 ORN B 1  ? ORN B 1   . ? 1_555 ? 
98  AD4 10 CYS B 2  ? CYS B 2   . ? 1_555 ? 
99  AD4 10 PHE B 4  ? PHE B 4   . ? 1_555 ? 
100 AD4 10 LEU B 14 ? LEU B 14  . ? 1_555 ? 
101 AD4 10 MPD G .  ? MPD B 101 . ? 1_555 ? 
102 AD4 10 MPD H .  ? MPD B 102 . ? 1_555 ? 
103 AD4 10 HOH K .  ? HOH B 203 . ? 1_555 ? 
104 AD4 10 HOH K .  ? HOH B 205 . ? 1_555 ? 
105 AD4 10 GLU D 7  ? GLU D 7   . ? 1_555 ? 
106 AD4 10 HOH M .  ? HOH D 103 . ? 1_555 ? 
107 AD5 8  CYS A 6  ? CYS A 6   . ? 1_555 ? 
108 AD5 8  GLU A 7  ? GLU A 7   . ? 1_555 ? 
109 AD5 8  HOH J .  ? HOH A 102 . ? 1_555 ? 
110 AD5 8  CYS C 2  ? CYS C 2   . ? 1_555 ? 
111 AD5 8  PHE C 4  ? PHE C 4   . ? 1_555 ? 
112 AD5 8  LEU C 14 ? LEU C 14  . ? 1_555 ? 
113 AD5 8  ORN C 15 ? ORN C 15  . ? 1_555 ? 
114 AD5 8  MPD I .  ? MPD C 101 . ? 1_555 ? 
115 AD6 8  MEA A 5  ? MEA A 5   . ? 1_555 ? 
116 AD6 8  CYS A 6  ? CYS A 6   . ? 1_555 ? 
117 AD6 8  GLU A 7  ? GLU A 7   . ? 1_555 ? 
118 AD6 8  HOH J .  ? HOH A 102 . ? 1_555 ? 
119 AD6 8  VAL C 3  ? VAL C 3   . ? 1_555 ? 
120 AD6 8  LEU C 14 ? LEU C 14  . ? 1_555 ? 
121 AD6 8  ORN C 15 ? ORN C 15  . ? 1_555 ? 
122 AD6 8  VAL C 16 ? VAL C 16  . ? 1_555 ? 
123 AD7 9  CYS B 2  ? CYS B 2   . ? 1_555 ? 
124 AD7 9  VAL B 3  ? VAL B 3   . ? 1_555 ? 
125 AD7 9  VAL C 3  ? VAL C 3   . ? 1_555 ? 
126 AD7 9  CYS C 6  ? CYS C 6   . ? 1_555 ? 
127 AD7 9  ILE C 12 ? ILE C 12  . ? 1_555 ? 
128 AD7 9  GLY C 13 ? GLY C 13  . ? 1_555 ? 
129 AD7 9  LEU C 14 ? LEU C 14  . ? 1_555 ? 
130 AD7 9  VAL C 16 ? VAL C 16  . ? 1_555 ? 
131 AD7 9  MPD I .  ? MPD C 101 . ? 1_555 ? 
132 AD8 10 ORN B 1  ? ORN B 1   . ? 1_555 ? 
133 AD8 10 CYS B 2  ? CYS B 2   . ? 1_555 ? 
134 AD8 10 VAL B 3  ? VAL B 3   . ? 1_555 ? 
135 AD8 10 PHE C 4  ? PHE C 4   . ? 1_555 ? 
136 AD8 10 GLU C 7  ? GLU C 7   . ? 1_555 ? 
137 AD8 10 ASP C 8  ? ASP C 8   . ? 1_555 ? 
138 AD8 10 ALA C 10 ? ALA C 10  . ? 1_555 ? 
139 AD8 10 CHG C 11 ? CHG C 11  . ? 1_555 ? 
140 AD8 10 ILE C 12 ? ILE C 12  . ? 1_555 ? 
141 AD8 10 LEU C 14 ? LEU C 14  . ? 1_555 ? 
142 AD9 4  CYS C 6  ? CYS C 6   . ? 1_555 ? 
143 AD9 4  GLU C 7  ? GLU C 7   . ? 1_555 ? 
144 AD9 4  ALA C 10 ? ALA C 10  . ? 1_555 ? 
145 AD9 4  HOH L .  ? HOH C 202 . ? 1_555 ? 
146 AE1 8  CYS C 6  ? CYS C 6   . ? 1_555 ? 
147 AE1 8  GLU C 7  ? GLU C 7   . ? 1_555 ? 
148 AE1 8  ASP C 8  ? ASP C 8   . ? 1_555 ? 
149 AE1 8  CHG C 11 ? CHG C 11  . ? 1_555 ? 
150 AE1 8  ILE C 12 ? ILE C 12  . ? 1_555 ? 
151 AE1 8  HOH L .  ? HOH C 202 . ? 1_555 ? 
152 AE1 8  ILE F 12 ? ILE F 12  . ? 3_664 ? 
153 AE1 8  GLY F 13 ? GLY F 13  . ? 3_664 ? 
154 AE2 7  CYS C 6  ? CYS C 6   . ? 1_555 ? 
155 AE2 7  GLU C 7  ? GLU C 7   . ? 1_555 ? 
156 AE2 7  ASP C 8  ? ASP C 8   . ? 1_555 ? 
157 AE2 7  ORN C 9  ? ORN C 9   . ? 1_555 ? 
158 AE2 7  ILE C 12 ? ILE C 12  . ? 1_555 ? 
159 AE2 7  ILE F 12 ? ILE F 12  . ? 3_664 ? 
160 AE2 7  GLY F 13 ? GLY F 13  . ? 3_664 ? 
161 AE3 8  ALA A 10 ? ALA A 10  . ? 5_555 ? 
162 AE3 8  PHE C 4  ? PHE C 4   . ? 1_555 ? 
163 AE3 8  MEA C 5  ? MEA C 5   . ? 1_555 ? 
164 AE3 8  CYS C 6  ? CYS C 6   . ? 1_555 ? 
165 AE3 8  ALA C 10 ? ALA C 10  . ? 1_555 ? 
166 AE3 8  GLY C 13 ? GLY C 13  . ? 1_555 ? 
167 AE3 8  LEU C 14 ? LEU C 14  . ? 1_555 ? 
168 AE3 8  GLY F 13 ? GLY F 13  . ? 3_664 ? 
169 AE4 10 GLU A 7  ? GLU A 7   . ? 5_555 ? 
170 AE4 10 ORN A 9  ? ORN A 9   . ? 5_555 ? 
171 AE4 10 HOH J .  ? HOH A 101 . ? 5_555 ? 
172 AE4 10 CYS C 2  ? CYS C 2   . ? 1_555 ? 
173 AE4 10 VAL C 3  ? VAL C 3   . ? 1_555 ? 
174 AE4 10 PHE C 4  ? PHE C 4   . ? 1_555 ? 
175 AE4 10 CYS C 6  ? CYS C 6   . ? 1_555 ? 
176 AE4 10 ILE C 12 ? ILE C 12  . ? 1_555 ? 
177 AE4 10 GLY C 13 ? GLY C 13  . ? 1_555 ? 
178 AE4 10 VAL C 16 ? VAL C 16  . ? 1_555 ? 
179 AE5 9  GLU A 7  ? GLU A 7   . ? 5_555 ? 
180 AE5 9  ORN A 9  ? ORN A 9   . ? 5_555 ? 
181 AE5 9  HOH J .  ? HOH A 101 . ? 5_555 ? 
182 AE5 9  ORN C 1  ? ORN C 1   . ? 1_555 ? 
183 AE5 9  CYS C 2  ? CYS C 2   . ? 1_555 ? 
184 AE5 9  PHE C 4  ? PHE C 4   . ? 1_555 ? 
185 AE5 9  GLY C 13 ? GLY C 13  . ? 1_555 ? 
186 AE5 9  LEU C 14 ? LEU C 14  . ? 1_555 ? 
187 AE5 9  MPD I .  ? MPD C 101 . ? 1_555 ? 
188 AE6 9  MPD I .  ? MPD C 101 . ? 3_664 ? 
189 AE6 9  VAL D 3  ? VAL D 3   . ? 1_555 ? 
190 AE6 9  LEU D 14 ? LEU D 14  . ? 1_555 ? 
191 AE6 9  ORN D 15 ? ORN D 15  . ? 1_555 ? 
192 AE6 9  VAL D 16 ? VAL D 16  . ? 1_555 ? 
193 AE6 9  MEA E 5  ? MEA E 5   . ? 5_555 ? 
194 AE6 9  CYS E 6  ? CYS E 6   . ? 5_555 ? 
195 AE6 9  GLU E 7  ? GLU E 7   . ? 5_555 ? 
196 AE6 9  HOH N .  ? HOH E 101 . ? 5_555 ? 
197 AE7 6  CYS D 2  ? CYS D 2   . ? 1_555 ? 
198 AE7 6  LEU D 14 ? LEU D 14  . ? 1_555 ? 
199 AE7 6  ORN D 15 ? ORN D 15  . ? 1_555 ? 
200 AE7 6  CYS E 6  ? CYS E 6   . ? 5_555 ? 
201 AE7 6  GLU E 7  ? GLU E 7   . ? 5_555 ? 
202 AE7 6  HOH N .  ? HOH E 101 . ? 5_555 ? 
203 AE8 8  MPD I .  ? MPD C 101 . ? 3_664 ? 
204 AE8 8  VAL D 3  ? VAL D 3   . ? 1_555 ? 
205 AE8 8  CYS D 6  ? CYS D 6   . ? 1_555 ? 
206 AE8 8  ILE D 12 ? ILE D 12  . ? 1_555 ? 
207 AE8 8  GLY D 13 ? GLY D 13  . ? 1_555 ? 
208 AE8 8  LEU D 14 ? LEU D 14  . ? 1_555 ? 
209 AE8 8  CYS F 2  ? CYS F 2   . ? 3_664 ? 
210 AE8 8  VAL F 3  ? VAL F 3   . ? 3_664 ? 
211 AE9 10 VAL A 16 ? VAL A 16  . ? 3_664 ? 
212 AE9 10 PHE D 4  ? PHE D 4   . ? 1_555 ? 
213 AE9 10 GLU D 7  ? GLU D 7   . ? 1_555 ? 
214 AE9 10 ASP D 8  ? ASP D 8   . ? 1_555 ? 
215 AE9 10 ALA D 10 ? ALA D 10  . ? 1_555 ? 
216 AE9 10 CHG D 11 ? CHG D 11  . ? 1_555 ? 
217 AE9 10 ILE D 12 ? ILE D 12  . ? 1_555 ? 
218 AE9 10 ORN F 1  ? ORN F 1   . ? 3_664 ? 
219 AE9 10 CYS F 2  ? CYS F 2   . ? 3_664 ? 
220 AE9 10 VAL F 3  ? VAL F 3   . ? 3_664 ? 
221 AF1 6  LEU B 14 ? LEU B 14  . ? 1_555 ? 
222 AF1 6  CYS D 6  ? CYS D 6   . ? 1_555 ? 
223 AF1 6  GLU D 7  ? GLU D 7   . ? 1_555 ? 
224 AF1 6  ALA D 10 ? ALA D 10  . ? 1_555 ? 
225 AF1 6  HOH M .  ? HOH D 103 . ? 1_555 ? 
226 AF1 6  HOH M .  ? HOH D 104 . ? 1_555 ? 
227 AF2 9  ILE B 12 ? ILE B 12  . ? 1_555 ? 
228 AF2 9  GLY B 13 ? GLY B 13  . ? 1_555 ? 
229 AF2 9  LEU B 14 ? LEU B 14  . ? 1_555 ? 
230 AF2 9  CYS D 6  ? CYS D 6   . ? 1_555 ? 
231 AF2 9  GLU D 7  ? GLU D 7   . ? 1_555 ? 
232 AF2 9  ASP D 8  ? ASP D 8   . ? 1_555 ? 
233 AF2 9  CHG D 11 ? CHG D 11  . ? 1_555 ? 
234 AF2 9  ILE D 12 ? ILE D 12  . ? 1_555 ? 
235 AF2 9  HOH M .  ? HOH D 103 . ? 1_555 ? 
236 AF3 7  ILE B 12 ? ILE B 12  . ? 1_555 ? 
237 AF3 7  GLY B 13 ? GLY B 13  . ? 1_555 ? 
238 AF3 7  CYS D 6  ? CYS D 6   . ? 1_555 ? 
239 AF3 7  GLU D 7  ? GLU D 7   . ? 1_555 ? 
240 AF3 7  ASP D 8  ? ASP D 8   . ? 1_555 ? 
241 AF3 7  ORN D 9  ? ORN D 9   . ? 1_555 ? 
242 AF3 7  ILE D 12 ? ILE D 12  . ? 1_555 ? 
243 AF4 7  GLY B 13 ? GLY B 13  . ? 1_555 ? 
244 AF4 7  PHE D 4  ? PHE D 4   . ? 1_555 ? 
245 AF4 7  MEA D 5  ? MEA D 5   . ? 1_555 ? 
246 AF4 7  CYS D 6  ? CYS D 6   . ? 1_555 ? 
247 AF4 7  ALA D 10 ? ALA D 10  . ? 1_555 ? 
248 AF4 7  GLY D 13 ? GLY D 13  . ? 1_555 ? 
249 AF4 7  ALA E 10 ? ALA E 10  . ? 1_555 ? 
250 AF5 7  ORN A 1  ? ORN A 1   . ? 3_664 ? 
251 AF5 7  VAL A 16 ? VAL A 16  . ? 3_664 ? 
252 AF5 7  CYS D 2  ? CYS D 2   . ? 1_555 ? 
253 AF5 7  VAL D 3  ? VAL D 3   . ? 1_555 ? 
254 AF5 7  PHE D 4  ? PHE D 4   . ? 1_555 ? 
255 AF5 7  GLY D 13 ? GLY D 13  . ? 1_555 ? 
256 AF5 7  VAL D 16 ? VAL D 16  . ? 1_555 ? 
257 AF6 3  ORN D 1  ? ORN D 1   . ? 1_555 ? 
258 AF6 3  CYS D 2  ? CYS D 2   . ? 1_555 ? 
259 AF6 3  LEU D 14 ? LEU D 14  . ? 1_555 ? 
260 AF7 11 VAL E 3  ? VAL E 3   . ? 1_555 ? 
261 AF7 11 PHE E 4  ? PHE E 4   . ? 1_555 ? 
262 AF7 11 LEU E 14 ? LEU E 14  . ? 1_555 ? 
263 AF7 11 ORN E 15 ? ORN E 15  . ? 1_555 ? 
264 AF7 11 VAL E 16 ? VAL E 16  . ? 1_555 ? 
265 AF7 11 HOH N .  ? HOH E 103 . ? 1_555 ? 
266 AF7 11 HOH N .  ? HOH E 104 . ? 1_555 ? 
267 AF7 11 MEA F 5  ? MEA F 5   . ? 4_546 ? 
268 AF7 11 CYS F 6  ? CYS F 6   . ? 4_546 ? 
269 AF7 11 GLU F 7  ? GLU F 7   . ? 4_546 ? 
270 AF7 11 HOH O .  ? HOH F 101 . ? 4_546 ? 
271 AF8 9  MPD H .  ? MPD B 102 . ? 4_546 ? 
272 AF8 9  CYS E 2  ? CYS E 2   . ? 1_555 ? 
273 AF8 9  LEU E 14 ? LEU E 14  . ? 1_555 ? 
274 AF8 9  ORN E 15 ? ORN E 15  . ? 1_555 ? 
275 AF8 9  HOH N .  ? HOH E 103 . ? 1_555 ? 
276 AF8 9  HOH N .  ? HOH E 104 . ? 1_555 ? 
277 AF8 9  CYS F 6  ? CYS F 6   . ? 4_546 ? 
278 AF8 9  GLU F 7  ? GLU F 7   . ? 4_546 ? 
279 AF8 9  HOH O .  ? HOH F 101 . ? 4_546 ? 
280 AF9 9  MPD H .  ? MPD B 102 . ? 4_546 ? 
281 AF9 9  CYS D 2  ? CYS D 2   . ? 5_555 ? 
282 AF9 9  VAL D 3  ? VAL D 3   . ? 5_555 ? 
283 AF9 9  CYS E 2  ? CYS E 2   . ? 1_555 ? 
284 AF9 9  VAL E 3  ? VAL E 3   . ? 1_555 ? 
285 AF9 9  CYS E 6  ? CYS E 6   . ? 1_555 ? 
286 AF9 9  ILE E 12 ? ILE E 12  . ? 1_555 ? 
287 AF9 9  GLY E 13 ? GLY E 13  . ? 1_555 ? 
288 AF9 9  LEU E 14 ? LEU E 14  . ? 1_555 ? 
289 AG1 10 ORN D 1  ? ORN D 1   . ? 5_555 ? 
290 AG1 10 CYS D 2  ? CYS D 2   . ? 5_555 ? 
291 AG1 10 VAL D 3  ? VAL D 3   . ? 5_555 ? 
292 AG1 10 PHE E 4  ? PHE E 4   . ? 1_555 ? 
293 AG1 10 GLU E 7  ? GLU E 7   . ? 1_555 ? 
294 AG1 10 ASP E 8  ? ASP E 8   . ? 1_555 ? 
295 AG1 10 ALA E 10 ? ALA E 10  . ? 1_555 ? 
296 AG1 10 CHG E 11 ? CHG E 11  . ? 1_555 ? 
297 AG1 10 ILE E 12 ? ILE E 12  . ? 1_555 ? 
298 AG1 10 GLY E 13 ? GLY E 13  . ? 1_555 ? 
299 AG2 5  CYS E 6  ? CYS E 6   . ? 1_555 ? 
300 AG2 5  GLU E 7  ? GLU E 7   . ? 1_555 ? 
301 AG2 5  ALA E 10 ? ALA E 10  . ? 1_555 ? 
302 AG2 5  ILE E 12 ? ILE E 12  . ? 1_555 ? 
303 AG2 5  HOH N .  ? HOH E 102 . ? 1_555 ? 
304 AG3 7  ILE D 12 ? ILE D 12  . ? 1_555 ? 
305 AG3 7  GLY D 13 ? GLY D 13  . ? 1_555 ? 
306 AG3 7  CYS E 6  ? CYS E 6   . ? 1_555 ? 
307 AG3 7  GLU E 7  ? GLU E 7   . ? 1_555 ? 
308 AG3 7  ASP E 8  ? ASP E 8   . ? 1_555 ? 
309 AG3 7  CHG E 11 ? CHG E 11  . ? 1_555 ? 
310 AG3 7  HOH N .  ? HOH E 102 . ? 1_555 ? 
311 AG4 7  ILE D 12 ? ILE D 12  . ? 1_555 ? 
312 AG4 7  GLY D 13 ? GLY D 13  . ? 1_555 ? 
313 AG4 7  CYS E 6  ? CYS E 6   . ? 1_555 ? 
314 AG4 7  GLU E 7  ? GLU E 7   . ? 1_555 ? 
315 AG4 7  ASP E 8  ? ASP E 8   . ? 1_555 ? 
316 AG4 7  ORN E 9  ? ORN E 9   . ? 1_555 ? 
317 AG4 7  ILE E 12 ? ILE E 12  . ? 1_555 ? 
318 AG5 8  ALA B 10 ? ALA B 10  . ? 1_555 ? 
319 AG5 8  GLY D 13 ? GLY D 13  . ? 1_555 ? 
320 AG5 8  PHE E 4  ? PHE E 4   . ? 1_555 ? 
321 AG5 8  MEA E 5  ? MEA E 5   . ? 1_555 ? 
322 AG5 8  CYS E 6  ? CYS E 6   . ? 1_555 ? 
323 AG5 8  ASP E 8  ? ASP E 8   . ? 1_555 ? 
324 AG5 8  ALA E 10 ? ALA E 10  . ? 1_555 ? 
325 AG5 8  GLY E 13 ? GLY E 13  . ? 1_555 ? 
326 AG6 7  GLU B 7  ? GLU B 7   . ? 1_555 ? 
327 AG6 7  HOH K .  ? HOH B 202 . ? 1_555 ? 
328 AG6 7  CYS E 2  ? CYS E 2   . ? 1_555 ? 
329 AG6 7  VAL E 3  ? VAL E 3   . ? 1_555 ? 
330 AG6 7  PHE E 4  ? PHE E 4   . ? 1_555 ? 
331 AG6 7  GLY E 13 ? GLY E 13  . ? 1_555 ? 
332 AG6 7  VAL E 16 ? VAL E 16  . ? 1_555 ? 
333 AG7 6  GLU B 7  ? GLU B 7   . ? 1_555 ? 
334 AG7 6  MPD H .  ? MPD B 102 . ? 4_546 ? 
335 AG7 6  HOH K .  ? HOH B 202 . ? 1_555 ? 
336 AG7 6  ORN E 1  ? ORN E 1   . ? 1_555 ? 
337 AG7 6  CYS E 2  ? CYS E 2   . ? 1_555 ? 
338 AG7 6  LEU E 14 ? LEU E 14  . ? 1_555 ? 
339 AG8 15 ORN A 1  ? ORN A 1   . ? 1_555 ? 
340 AG8 15 CYS A 2  ? CYS A 2   . ? 1_555 ? 
341 AG8 15 VAL A 16 ? VAL A 16  . ? 1_555 ? 
342 AG8 15 GLU B 7  ? GLU B 7   . ? 1_555 ? 
343 AG8 15 MPD G .  ? MPD B 101 . ? 2_655 ? 
344 AG8 15 HOH K .  ? HOH B 204 . ? 1_555 ? 
345 AG8 15 MEA D 5  ? MEA D 5   . ? 2_655 ? 
346 AG8 15 CYS D 6  ? CYS D 6   . ? 2_655 ? 
347 AG8 15 GLU D 7  ? GLU D 7   . ? 2_655 ? 
348 AG8 15 HOH M .  ? HOH D 101 . ? 2_655 ? 
349 AG8 15 VAL F 3  ? VAL F 3   . ? 1_555 ? 
350 AG8 15 PHE F 4  ? PHE F 4   . ? 1_555 ? 
351 AG8 15 LEU F 14 ? LEU F 14  . ? 1_555 ? 
352 AG8 15 ORN F 15 ? ORN F 15  . ? 1_555 ? 
353 AG8 15 VAL F 16 ? VAL F 16  . ? 1_555 ? 
354 AG9 12 ORN A 1  ? ORN A 1   . ? 1_555 ? 
355 AG9 12 CYS A 2  ? CYS A 2   . ? 1_555 ? 
356 AG9 12 CYS B 6  ? CYS B 6   . ? 1_555 ? 
357 AG9 12 GLU B 7  ? GLU B 7   . ? 1_555 ? 
358 AG9 12 MPD G .  ? MPD B 101 . ? 2_655 ? 
359 AG9 12 HOH K .  ? HOH B 204 . ? 1_555 ? 
360 AG9 12 CYS D 6  ? CYS D 6   . ? 2_655 ? 
361 AG9 12 GLU D 7  ? GLU D 7   . ? 2_655 ? 
362 AG9 12 HOH M .  ? HOH D 101 . ? 2_655 ? 
363 AG9 12 CYS F 2  ? CYS F 2   . ? 1_555 ? 
364 AG9 12 LEU F 14 ? LEU F 14  . ? 1_555 ? 
365 AG9 12 ORN F 15 ? ORN F 15  . ? 1_555 ? 
366 AH1 8  CYS E 2  ? CYS E 2   . ? 4_656 ? 
367 AH1 8  VAL E 3  ? VAL E 3   . ? 4_656 ? 
368 AH1 8  CYS F 2  ? CYS F 2   . ? 1_555 ? 
369 AH1 8  VAL F 3  ? VAL F 3   . ? 1_555 ? 
370 AH1 8  CYS F 6  ? CYS F 6   . ? 1_555 ? 
371 AH1 8  ILE F 12 ? ILE F 12  . ? 1_555 ? 
372 AH1 8  GLY F 13 ? GLY F 13  . ? 1_555 ? 
373 AH1 8  LEU F 14 ? LEU F 14  . ? 1_555 ? 
374 AH2 8  ORN E 1  ? ORN E 1   . ? 4_656 ? 
375 AH2 8  CYS E 2  ? CYS E 2   . ? 4_656 ? 
376 AH2 8  VAL E 3  ? VAL E 3   . ? 4_656 ? 
377 AH2 8  PHE F 4  ? PHE F 4   . ? 1_555 ? 
378 AH2 8  GLU F 7  ? GLU F 7   . ? 1_555 ? 
379 AH2 8  ALA F 10 ? ALA F 10  . ? 1_555 ? 
380 AH2 8  CHG F 11 ? CHG F 11  . ? 1_555 ? 
381 AH2 8  ILE F 12 ? ILE F 12  . ? 1_555 ? 
382 AH3 4  LEU A 14 ? LEU A 14  . ? 4_656 ? 
383 AH3 4  ORN A 15 ? ORN A 15  . ? 4_656 ? 
384 AH3 4  GLU F 7  ? GLU F 7   . ? 1_555 ? 
385 AH3 4  ALA F 10 ? ALA F 10  . ? 1_555 ? 
386 AH4 8  GLY A 13 ? GLY A 13  . ? 4_656 ? 
387 AH4 8  LEU A 14 ? LEU A 14  . ? 4_656 ? 
388 AH4 8  ORN A 15 ? ORN A 15  . ? 4_656 ? 
389 AH4 8  CYS F 6  ? CYS F 6   . ? 1_555 ? 
390 AH4 8  GLU F 7  ? GLU F 7   . ? 1_555 ? 
391 AH4 8  ASP F 8  ? ASP F 8   . ? 1_555 ? 
392 AH4 8  CHG F 11 ? CHG F 11  . ? 1_555 ? 
393 AH4 8  ILE F 12 ? ILE F 12  . ? 1_555 ? 
394 AH5 6  GLY A 13 ? GLY A 13  . ? 4_656 ? 
395 AH5 6  CYS F 6  ? CYS F 6   . ? 1_555 ? 
396 AH5 6  GLU F 7  ? GLU F 7   . ? 1_555 ? 
397 AH5 6  ASP F 8  ? ASP F 8   . ? 1_555 ? 
398 AH5 6  ORN F 9  ? ORN F 9   . ? 1_555 ? 
399 AH5 6  ILE F 12 ? ILE F 12  . ? 1_555 ? 
400 AH6 7  GLY A 13 ? GLY A 13  . ? 4_656 ? 
401 AH6 7  ALA C 10 ? ALA C 10  . ? 2_655 ? 
402 AH6 7  PHE F 4  ? PHE F 4   . ? 1_555 ? 
403 AH6 7  MEA F 5  ? MEA F 5   . ? 1_555 ? 
404 AH6 7  CYS F 6  ? CYS F 6   . ? 1_555 ? 
405 AH6 7  ALA F 10 ? ALA F 10  . ? 1_555 ? 
406 AH6 7  GLY F 13 ? GLY F 13  . ? 1_555 ? 
407 AH7 13 ASP B 8  ? ASP B 8   . ? 1_555 ? 
408 AH7 13 MPD G .  ? MPD B 101 . ? 2_655 ? 
409 AH7 13 HOH K .  ? HOH B 204 . ? 1_555 ? 
410 AH7 13 GLU C 7  ? GLU C 7   . ? 2_655 ? 
411 AH7 13 HOH L .  ? HOH C 202 . ? 2_655 ? 
412 AH7 13 ORN F 1  ? ORN F 1   . ? 1_555 ? 
413 AH7 13 CYS F 2  ? CYS F 2   . ? 1_555 ? 
414 AH7 13 VAL F 3  ? VAL F 3   . ? 1_555 ? 
415 AH7 13 PHE F 4  ? PHE F 4   . ? 1_555 ? 
416 AH7 13 GLY F 13 ? GLY F 13  . ? 1_555 ? 
417 AH7 13 VAL F 16 ? VAL F 16  . ? 1_555 ? 
418 AH7 13 HOH O .  ? HOH F 102 . ? 1_555 ? 
419 AH7 13 HOH O .  ? HOH F 103 . ? 1_555 ? 
420 AH8 12 CYS A 2  ? CYS A 2   . ? 1_555 ? 
421 AH8 12 CYS B 6  ? CYS B 6   . ? 1_555 ? 
422 AH8 12 ASP B 8  ? ASP B 8   . ? 1_555 ? 
423 AH8 12 MPD G .  ? MPD B 101 . ? 2_655 ? 
424 AH8 12 HOH K .  ? HOH B 204 . ? 1_555 ? 
425 AH8 12 GLU C 7  ? GLU C 7   . ? 2_655 ? 
426 AH8 12 HOH L .  ? HOH C 202 . ? 2_655 ? 
427 AH8 12 ORN F 1  ? ORN F 1   . ? 1_555 ? 
428 AH8 12 CYS F 2  ? CYS F 2   . ? 1_555 ? 
429 AH8 12 LEU F 14 ? LEU F 14  . ? 1_555 ? 
430 AH8 12 HOH O .  ? HOH F 102 . ? 1_555 ? 
431 AH8 12 HOH O .  ? HOH F 103 . ? 1_555 ? 
# 
_atom_sites.entry_id                    6DR5 
_atom_sites.fract_transf_matrix[1][1]   0.017292 
_atom_sites.fract_transf_matrix[1][2]   0.009983 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.019967 
_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]   0.016169 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
C 
H 
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 
HETATM 1    N N    . ORN A 1 1  ? 31.684 10.079 36.963 1.00 18.35  ? 1   ORN A N    1 
HETATM 2    C CA   . ORN A 1 1  ? 32.905 9.568  36.383 1.00 16.89  ? 1   ORN A CA   1 
HETATM 3    C CB   . ORN A 1 1  ? 33.239 8.193  36.984 1.00 18.46  ? 1   ORN A CB   1 
HETATM 4    C CG   . ORN A 1 1  ? 33.679 8.235  38.450 1.00 19.98  ? 1   ORN A CG   1 
HETATM 5    C CD   . ORN A 1 1  ? 35.076 8.837  38.647 1.00 22.52  ? 1   ORN A CD   1 
HETATM 6    N NE   . ORN A 1 1  ? 36.057 8.105  37.897 1.00 20.77  ? 1   ORN A NE   1 
HETATM 7    C C    . ORN A 1 1  ? 32.718 9.397  34.860 1.00 16.95  ? 1   ORN A C    1 
HETATM 8    O O    . ORN A 1 1  ? 31.607 9.428  34.324 1.00 16.85  ? 1   ORN A O    1 
HETATM 9    H H1   . ORN A 1 1  ? 31.804 10.429 37.916 1.00 22.04  ? 1   ORN A H1   1 
HETATM 10   H H2   . ORN A 1 1  ? 31.282 10.859 36.437 1.00 22.04  ? 1   ORN A H2   1 
HETATM 11   H H3   . ORN A 1 1  ? 30.939 9.380  37.021 1.00 22.04  ? 1   ORN A H3   1 
HETATM 12   H HA   . ORN A 1 1  ? 33.678 10.322 36.558 1.00 20.29  ? 1   ORN A HA   1 
HETATM 13   H HB2  . ORN A 1 1  ? 32.366 7.530  36.902 1.00 22.17  ? 1   ORN A HB2  1 
HETATM 14   H HB3  . ORN A 1 1  ? 34.081 7.780  36.412 1.00 22.17  ? 1   ORN A HB3  1 
HETATM 15   H HG2  . ORN A 1 1  ? 33.683 7.213  38.846 1.00 23.88  ? 1   ORN A HG2  1 
HETATM 16   H HG3  . ORN A 1 1  ? 32.954 8.829  39.018 1.00 23.88  ? 1   ORN A HG3  1 
HETATM 17   H HD2  . ORN A 1 1  ? 35.335 8.779  39.709 1.00 27.04  ? 1   ORN A HD2  1 
HETATM 18   H HD3  . ORN A 1 1  ? 35.067 9.877  38.307 1.00 27.04  ? 1   ORN A HD3  1 
HETATM 19   H HE1  . ORN A 1 1  ? 36.448 7.293  38.372 1.00 24.82  ? 1   ORN A HE1  1 
ATOM   20   N N    . CYS A 1 2  ? 33.882 9.197  34.168 1.00 16.71  ? 2   CYS A N    1 
ATOM   21   C CA   . CYS A 1 2  ? 33.911 8.952  32.742 1.00 18.87  ? 2   CYS A CA   1 
ATOM   22   C C    . CYS A 1 2  ? 34.535 7.574  32.558 1.00 18.82  ? 2   CYS A C    1 
ATOM   23   O O    . CYS A 1 2  ? 35.268 7.102  33.429 1.00 16.79  ? 2   CYS A O    1 
ATOM   24   C CB   . CYS A 1 2  ? 34.717 10.018 32.006 1.00 24.85  ? 2   CYS A CB   1 
ATOM   25   S SG   . CYS A 1 2  ? 33.868 11.591 31.843 1.00 19.60  ? 2   CYS A SG   1 
ATOM   26   H H    . CYS A 1 2  ? 34.656 9.147  34.539 1.00 20.07  ? 2   CYS A H    1 
ATOM   27   H HA   . CYS A 1 2  ? 33.007 8.939  32.389 1.00 22.66  ? 2   CYS A HA   1 
ATOM   28   H HB2  . CYS A 1 2  ? 35.542 10.176 32.490 1.00 29.84  ? 2   CYS A HB2  1 
ATOM   29   H HB3  . CYS A 1 2  ? 34.917 9.696  31.113 1.00 29.84  ? 2   CYS A HB3  1 
ATOM   30   N N    . VAL A 1 3  ? 34.238 6.922  31.441 1.00 14.43  ? 3   VAL A N    1 
ATOM   31   C CA   . VAL A 1 3  ? 34.873 5.661  31.080 1.00 27.31  ? 3   VAL A CA   1 
ATOM   32   C C    . VAL A 1 3  ? 35.974 5.978  30.084 1.00 19.72  ? 3   VAL A C    1 
ATOM   33   O O    . VAL A 1 3  ? 35.712 6.579  29.036 1.00 17.74  ? 3   VAL A O    1 
ATOM   34   C CB   . VAL A 1 3  ? 33.864 4.666  30.486 1.00 24.70  ? 3   VAL A CB   1 
ATOM   35   C CG1  . VAL A 1 3  ? 34.562 3.344  30.112 1.00 21.08  ? 3   VAL A CG1  1 
ATOM   36   C CG2  . VAL A 1 3  ? 32.715 4.444  31.457 1.00 36.65  ? 3   VAL A CG2  1 
ATOM   37   H H    . VAL A 1 3  ? 33.660 7.195  30.865 1.00 17.34  ? 3   VAL A H    1 
ATOM   38   H HA   . VAL A 1 3  ? 35.275 5.261  31.867 1.00 32.79  ? 3   VAL A HA   1 
ATOM   39   H HB   . VAL A 1 3  ? 33.495 5.045  29.673 1.00 29.65  ? 3   VAL A HB   1 
ATOM   40   H HG11 . VAL A 1 3  ? 33.905 2.735  29.741 1.00 25.31  ? 3   VAL A HG11 1 
ATOM   41   H HG12 . VAL A 1 3  ? 35.252 3.527  29.456 1.00 25.31  ? 3   VAL A HG12 1 
ATOM   42   H HG13 . VAL A 1 3  ? 34.956 2.959  30.910 1.00 25.31  ? 3   VAL A HG13 1 
ATOM   43   H HG21 . VAL A 1 3  ? 32.089 3.814  31.066 1.00 44.00  ? 3   VAL A HG21 1 
ATOM   44   H HG22 . VAL A 1 3  ? 33.068 4.088  32.287 1.00 44.00  ? 3   VAL A HG22 1 
ATOM   45   H HG23 . VAL A 1 3  ? 32.273 5.292  31.621 1.00 44.00  ? 3   VAL A HG23 1 
ATOM   46   N N    . PHE A 1 4  ? 37.202 5.599  30.419 1.00 15.74  ? 4   PHE A N    1 
ATOM   47   C CA   . PHE A 1 4  ? 38.327 5.726  29.513 1.00 16.56  ? 4   PHE A CA   1 
ATOM   48   C C    . PHE A 1 4  ? 38.635 4.351  28.900 1.00 19.86  ? 4   PHE A C    1 
ATOM   49   O O    . PHE A 1 4  ? 38.438 3.339  29.567 1.00 18.30  ? 4   PHE A O    1 
ATOM   50   C CB   . PHE A 1 4  ? 39.569 6.251  30.241 1.00 20.55  ? 4   PHE A CB   1 
ATOM   51   C CG   . PHE A 1 4  ? 39.553 7.740  30.529 1.00 21.39  ? 4   PHE A CG   1 
ATOM   52   C CD1  . PHE A 1 4  ? 38.369 8.415  30.761 1.00 35.65  ? 4   PHE A CD1  1 
ATOM   53   C CD2  . PHE A 1 4  ? 40.742 8.453  30.582 1.00 22.02  ? 4   PHE A CD2  1 
ATOM   54   C CE1  . PHE A 1 4  ? 38.366 9.776  31.037 1.00 36.64  ? 4   PHE A CE1  1 
ATOM   55   C CE2  . PHE A 1 4  ? 40.749 9.822  30.856 1.00 22.00  ? 4   PHE A CE2  1 
ATOM   56   C CZ   . PHE A 1 4  ? 39.554 10.478 31.086 1.00 31.47  ? 4   PHE A CZ   1 
ATOM   57   H H    . PHE A 1 4  ? 37.409 5.260  31.182 1.00 18.79  ? 4   PHE A H    1 
ATOM   58   H HA   . PHE A 1 4  ? 38.103 6.342  28.798 1.00 19.77  ? 4   PHE A HA   1 
ATOM   59   H HB2  . PHE A 1 4  ? 39.649 5.789  31.089 1.00 24.68  ? 4   PHE A HB2  1 
ATOM   60   H HB3  . PHE A 1 4  ? 40.349 6.067  29.694 1.00 24.68  ? 4   PHE A HB3  1 
ATOM   61   H HD1  . PHE A 1 4  ? 37.563 7.951  30.734 1.00 42.80  ? 4   PHE A HD1  1 
ATOM   62   H HD2  . PHE A 1 4  ? 41.547 8.012  30.431 1.00 26.44  ? 4   PHE A HD2  1 
ATOM   63   H HE1  . PHE A 1 4  ? 37.561 10.216 31.188 1.00 43.99  ? 4   PHE A HE1  1 
ATOM   64   H HE2  . PHE A 1 4  ? 41.553 10.289 30.887 1.00 26.41  ? 4   PHE A HE2  1 
ATOM   65   H HZ   . PHE A 1 4  ? 39.550 11.391 31.266 1.00 37.78  ? 4   PHE A HZ   1 
HETATM 66   C C1   . MEA A 1 5  ? 39.728 5.409  27.002 1.00 24.23  ? 5   MEA A C1   1 
HETATM 67   N N    . MEA A 1 5  ? 39.128 4.297  27.659 1.00 19.92  ? 5   MEA A N    1 
HETATM 68   C CA   . MEA A 1 5  ? 39.556 3.012  27.098 1.00 19.01  ? 5   MEA A CA   1 
HETATM 69   C C    . MEA A 1 5  ? 41.104 2.912  27.043 1.00 20.62  ? 5   MEA A C    1 
HETATM 70   O O    . MEA A 1 5  ? 41.735 3.577  26.202 1.00 21.43  ? 5   MEA A O    1 
HETATM 71   C CB   . MEA A 1 5  ? 39.012 2.788  25.757 1.00 28.58  ? 5   MEA A CB   1 
HETATM 72   C CG   . MEA A 1 5  ? 37.483 2.847  25.881 1.00 22.01  ? 5   MEA A CG   1 
HETATM 73   C CD1  . MEA A 1 5  ? 36.781 3.971  25.460 1.00 52.30  ? 5   MEA A CD1  1 
HETATM 74   C CE1  . MEA A 1 5  ? 35.394 4.000  25.584 1.00 50.04  ? 5   MEA A CE1  1 
HETATM 75   C CZ   . MEA A 1 5  ? 34.717 2.905  26.130 1.00 27.39  ? 5   MEA A CZ   1 
HETATM 76   C CE2  . MEA A 1 5  ? 35.423 1.773  26.556 1.00 31.89  ? 5   MEA A CE2  1 
HETATM 77   C CD2  . MEA A 1 5  ? 36.798 1.740  26.436 1.00 28.65  ? 5   MEA A CD2  1 
HETATM 78   H HC1  . MEA A 1 5  ? 40.636 5.565  27.377 1.00 29.09  ? 5   MEA A HC1  1 
HETATM 79   H HC2  . MEA A 1 5  ? 39.173 6.209  27.141 1.00 29.09  ? 5   MEA A HC2  1 
HETATM 80   H HC3  . MEA A 1 5  ? 39.799 5.219  26.025 1.00 29.09  ? 5   MEA A HC3  1 
HETATM 81   H HA   . MEA A 1 5  ? 39.222 2.292  27.690 1.00 22.83  ? 5   MEA A HA   1 
HETATM 82   H HB1  . MEA A 1 5  ? 39.287 1.900  25.430 1.00 34.32  ? 5   MEA A HB1  1 
HETATM 83   H HB2  . MEA A 1 5  ? 39.331 3.488  25.139 1.00 34.32  ? 5   MEA A HB2  1 
HETATM 84   H HD1  . MEA A 1 5  ? 37.254 4.729  25.080 1.00 62.78  ? 5   MEA A HD1  1 
HETATM 85   H HE1  . MEA A 1 5  ? 34.889 4.791  25.286 1.00 60.06  ? 5   MEA A HE1  1 
HETATM 86   H HZ   . MEA A 1 5  ? 33.728 2.931  26.217 1.00 32.89  ? 5   MEA A HZ   1 
HETATM 87   H HE2  . MEA A 1 5  ? 34.951 1.023  26.932 1.00 38.29  ? 5   MEA A HE2  1 
HETATM 88   H HD2  . MEA A 1 5  ? 37.092 0.873  26.786 1.00 34.40  ? 5   MEA A HD2  1 
ATOM   89   N N    . CYS A 1 6  ? 41.695 2.094  27.917 1.00 21.37  ? 6   CYS A N    1 
ATOM   90   C CA   . CYS A 1 6  ? 43.146 2.098  28.098 1.00 23.82  ? 6   CYS A CA   1 
ATOM   91   C C    . CYS A 1 6  ? 43.751 0.702  28.197 1.00 25.54  ? 6   CYS A C    1 
ATOM   92   O O    . CYS A 1 6  ? 43.087 -0.262 28.581 1.00 25.13  ? 6   CYS A O    1 
ATOM   93   C CB   . CYS A 1 6  ? 43.521 2.892  29.352 1.00 33.36  ? 6   CYS A CB   1 
ATOM   94   S SG   . CYS A 1 6  ? 42.830 4.566  29.434 1.00 23.54  ? 6   CYS A SG   1 
ATOM   95   H H    . CYS A 1 6  ? 41.279 1.529  28.414 1.00 25.54  ? 6   CYS A H    1 
ATOM   96   H HA   . CYS A 1 6  ? 43.552 2.541  27.336 1.00 28.48  ? 6   CYS A HA   1 
ATOM   97   H HB2  . CYS A 1 6  ? 43.205 2.407  30.130 1.00 40.05  ? 6   CYS A HB2  1 
ATOM   98   H HB3  . CYS A 1 6  ? 44.487 2.972  29.389 1.00 40.05  ? 6   CYS A HB3  1 
ATOM   99   N N    . GLU A 1 7  ? 45.030 0.624  27.836 1.00 28.07  ? 7   GLU A N    1 
ATOM   100  C CA   . GLU A 1 7  ? 45.800 -0.600 27.991 1.00 30.48  ? 7   GLU A CA   1 
ATOM   101  C C    . GLU A 1 7  ? 46.080 -0.866 29.462 1.00 49.92  ? 7   GLU A C    1 
ATOM   102  O O    . GLU A 1 7  ? 46.542 0.022  30.187 1.00 39.07  ? 7   GLU A O    1 
ATOM   103  C CB   . GLU A 1 7  ? 47.134 -0.490 27.256 1.00 40.76  ? 7   GLU A CB   1 
ATOM   104  C CG   . GLU A 1 7  ? 47.090 -0.578 25.756 1.00 44.92  ? 7   GLU A CG   1 
ATOM   105  C CD   . GLU A 1 7  ? 48.467 -0.335 25.156 1.00 41.80  ? 7   GLU A CD   1 
ATOM   106  O OE1  . GLU A 1 7  ? 49.003 0.781  25.331 1.00 48.23  ? 7   GLU A OE1  1 
ATOM   107  O OE2  . GLU A 1 7  ? 49.031 -1.265 24.548 1.00 39.05  ? 7   GLU A OE2  1 
ATOM   108  H H    . GLU A 1 7  ? 45.476 1.275  27.495 1.00 33.59  ? 7   GLU A H    1 
ATOM   109  H HA   . GLU A 1 7  ? 45.303 -1.349 27.626 1.00 36.48  ? 7   GLU A HA   1 
ATOM   110  H HB2  . GLU A 1 7  ? 47.534 0.365  27.481 1.00 48.94  ? 7   GLU A HB2  1 
ATOM   111  H HB3  . GLU A 1 7  ? 47.711 -1.205 27.568 1.00 48.94  ? 7   GLU A HB3  1 
ATOM   112  H HG2  . GLU A 1 7  ? 46.794 -1.464 25.494 1.00 53.93  ? 7   GLU A HG2  1 
ATOM   113  H HG3  . GLU A 1 7  ? 46.483 0.096  25.412 1.00 53.93  ? 7   GLU A HG3  1 
ATOM   114  N N    . ASP A 1 8  ? 45.825 -2.097 29.891 1.00 38.44  ? 8   ASP A N    1 
ATOM   115  C CA   . ASP A 1 8  ? 46.261 -2.563 31.200 1.00 47.68  ? 8   ASP A CA   1 
ATOM   116  C C    . ASP A 1 8  ? 47.267 -3.689 31.020 1.00 50.11  ? 8   ASP A C    1 
ATOM   117  O O    . ASP A 1 8  ? 46.888 -4.856 30.952 1.00 48.25  ? 8   ASP A O    1 
ATOM   118  C CB   . ASP A 1 8  ? 45.088 -3.055 32.039 1.00 53.74  ? 8   ASP A CB   1 
ATOM   119  C CG   . ASP A 1 8  ? 45.533 -3.633 33.369 1.00 71.30  ? 8   ASP A CG   1 
ATOM   120  O OD1  . ASP A 1 8  ? 46.610 -3.230 33.853 1.00 74.49  ? 8   ASP A OD1  1 
ATOM   121  O OD2  . ASP A 1 8  ? 44.820 -4.496 33.921 1.00 66.57  ? 8   ASP A OD2  1 
ATOM   122  H H    . ASP A 1 8  ? 45.396 -2.688 29.437 1.00 46.15  ? 8   ASP A H    1 
ATOM   123  H HA   . ASP A 1 8  ? 46.695 -1.836 31.675 1.00 57.24  ? 8   ASP A HA   1 
ATOM   124  H HB2  . ASP A 1 8  ? 44.491 -2.312 32.218 1.00 64.51  ? 8   ASP A HB2  1 
ATOM   125  H HB3  . ASP A 1 8  ? 44.618 -3.750 31.551 1.00 64.51  ? 8   ASP A HB3  1 
HETATM 126  N N    . ORN A 1 9  ? 49.709 -6.555 27.093 1.00 56.10  ? 9   ORN A N    1 
HETATM 127  C CA   . ORN A 1 9  ? 48.587 -5.921 27.832 1.00 47.11  ? 9   ORN A CA   1 
HETATM 128  C CB   . ORN A 1 9  ? 48.952 -4.487 28.222 1.00 47.84  ? 9   ORN A CB   1 
HETATM 129  C CG   . ORN A 1 9  ? 50.105 -4.403 29.263 1.00 53.70  ? 9   ORN A CG   1 
HETATM 130  C CD   . ORN A 1 9  ? 49.642 -4.306 30.739 1.00 53.76  ? 9   ORN A CD   1 
HETATM 131  N NE   . ORN A 1 9  ? 48.590 -3.321 30.916 1.00 47.90  ? 9   ORN A NE   1 
HETATM 132  C C    . ORN A 1 9  ? 47.266 -5.931 26.989 1.00 40.76  ? 9   ORN A C    1 
HETATM 133  O O    . ORN A 1 9  ? 47.269 -6.121 25.769 1.00 58.94  ? 9   ORN A O    1 
HETATM 134  H H2   . ORN A 1 9  ? 50.098 -5.958 26.358 1.00 67.33  ? 9   ORN A H2   1 
HETATM 135  H H    . ORN A 1 9  ? 49.446 -7.425 26.624 1.00 67.33  ? 9   ORN A H    1 
HETATM 136  H H3   . ORN A 1 9  ? 50.502 -6.798 27.692 1.00 67.33  ? 9   ORN A H3   1 
HETATM 137  H HA   . ORN A 1 9  ? 48.418 -6.558 28.706 1.00 56.55  ? 9   ORN A HA   1 
HETATM 138  H HB2  . ORN A 1 9  ? 49.245 -3.919 27.328 1.00 57.43  ? 9   ORN A HB2  1 
HETATM 139  H HB3  . ORN A 1 9  ? 48.066 -4.034 28.688 1.00 57.43  ? 9   ORN A HB3  1 
HETATM 140  H HG2  . ORN A 1 9  ? 50.729 -5.298 29.155 1.00 64.45  ? 9   ORN A HG2  1 
HETATM 141  H HG3  . ORN A 1 9  ? 50.717 -3.524 29.035 1.00 64.45  ? 9   ORN A HG3  1 
HETATM 142  H HD2  . ORN A 1 9  ? 49.265 -5.283 31.053 1.00 64.53  ? 9   ORN A HD2  1 
HETATM 143  H HD3  . ORN A 1 9  ? 50.498 -4.008 31.351 1.00 64.53  ? 9   ORN A HD3  1 
HETATM 144  H HE1  . ORN A 1 9  ? 48.895 -2.351 30.969 1.00 57.50  ? 9   ORN A HE1  1 
ATOM   145  N N    . ALA A 1 10 ? 46.114 -5.723 27.705 1.00 36.32  ? 10  ALA A N    1 
ATOM   146  C CA   . ALA A 1 10 ? 44.795 -5.700 27.076 1.00 39.13  ? 10  ALA A CA   1 
ATOM   147  C C    . ALA A 1 10 ? 44.106 -4.370 27.318 1.00 30.53  ? 10  ALA A C    1 
ATOM   148  O O    . ALA A 1 10 ? 44.434 -3.672 28.278 1.00 30.75  ? 10  ALA A O    1 
ATOM   149  C CB   . ALA A 1 10 ? 43.938 -6.833 27.611 1.00 39.44  ? 10  ALA A CB   1 
ATOM   150  H H    . ALA A 1 10 ? 46.094 -5.590 28.554 1.00 43.49  ? 10  ALA A H    1 
ATOM   151  H HA   . ALA A 1 10 ? 44.896 -5.821 26.119 1.00 46.98  ? 10  ALA A HA   1 
ATOM   152  H HB1  . ALA A 1 10 ? 43.069 -6.801 27.181 1.00 47.34  ? 10  ALA A HB1  1 
ATOM   153  H HB2  . ALA A 1 10 ? 44.373 -7.678 27.414 1.00 47.34  ? 10  ALA A HB2  1 
ATOM   154  H HB3  . ALA A 1 10 ? 43.838 -6.727 28.570 1.00 47.34  ? 10  ALA A HB3  1 
HETATM 155  N N    . CHG A 1 11 ? 43.140 -4.042 26.457 1.00 29.61  ? 11  CHG A N    1 
HETATM 156  C CA   . CHG A 1 11 ? 42.458 -2.980 26.574 1.00 49.76  ? 11  CHG A CA   1 
HETATM 157  C C    . CHG A 1 11 ? 41.303 -3.145 27.223 1.00 27.68  ? 11  CHG A C    1 
HETATM 158  O O    . CHG A 1 11 ? 40.544 -4.020 26.936 1.00 25.77  ? 11  CHG A O    1 
HETATM 159  C C1   . CHG A 1 11 ? 42.499 -1.902 25.483 1.00 44.71  ? 11  CHG A C1   1 
HETATM 160  C C2   . CHG A 1 11 ? 43.408 -2.343 24.335 1.00 37.34  ? 11  CHG A C2   1 
HETATM 161  C C3   . CHG A 1 11 ? 43.534 -1.216 23.312 1.00 49.67  ? 11  CHG A C3   1 
HETATM 162  C C4   . CHG A 1 11 ? 42.173 -0.827 22.747 1.00 65.10  ? 11  CHG A C4   1 
HETATM 163  C C5   . CHG A 1 11 ? 41.182 -0.497 23.863 1.00 59.81  ? 11  CHG A C5   1 
HETATM 164  C C6   . CHG A 1 11 ? 41.113 -1.610 24.913 1.00 44.06  ? 11  CHG A C6   1 
HETATM 165  H H2   . CHG A 1 11 ? 43.026 -3.125 23.906 1.00 44.82  ? 11  CHG A H2   1 
HETATM 166  H HN   . CHG A 1 11 ? 42.952 -4.550 25.789 1.00 35.55  ? 11  CHG A HN   1 
HETATM 167  H HA   . CHG A 1 11 ? 42.991 -2.460 27.196 1.00 59.73  ? 11  CHG A HA   1 
HETATM 168  H H1   . CHG A 1 11 ? 42.856 -1.084 25.863 1.00 53.67  ? 11  CHG A H1   1 
HETATM 169  H H2A  . CHG A 1 11 ? 44.286 -2.559 24.686 1.00 44.82  ? 11  CHG A H2A  1 
HETATM 170  H H3   . CHG A 1 11 ? 44.106 -1.511 22.586 1.00 59.62  ? 11  CHG A H3   1 
HETATM 171  H H3A  . CHG A 1 11 ? 43.932 -0.443 23.742 1.00 59.62  ? 11  CHG A H3A  1 
HETATM 172  H H4   . CHG A 1 11 ? 42.277 -0.049 22.177 1.00 78.14  ? 11  CHG A H4   1 
HETATM 173  H H4A  . CHG A 1 11 ? 41.825 -1.566 22.224 1.00 78.14  ? 11  CHG A H4A  1 
HETATM 174  H H5   . CHG A 1 11 ? 40.301 -0.375 23.476 1.00 71.79  ? 11  CHG A H5   1 
HETATM 175  H H5A  . CHG A 1 11 ? 41.459 0.326  24.296 1.00 71.79  ? 11  CHG A H5A  1 
HETATM 176  H H6   . CHG A 1 11 ? 40.763 -2.415 24.500 1.00 52.89  ? 11  CHG A H6   1 
HETATM 177  H H6A  . CHG A 1 11 ? 40.525 -1.333 25.633 1.00 52.89  ? 11  CHG A H6A  1 
ATOM   178  N N    . ILE A 1 12 ? 41.056 -2.263 28.187 1.00 24.22  ? 12  ILE A N    1 
ATOM   179  C CA   . ILE A 1 12 ? 39.898 -2.352 29.062 1.00 23.75  ? 12  ILE A CA   1 
ATOM   180  C C    . ILE A 1 12 ? 39.246 -0.983 29.224 1.00 21.55  ? 12  ILE A C    1 
ATOM   181  O O    . ILE A 1 12 ? 39.851 0.049  28.928 1.00 20.79  ? 12  ILE A O    1 
ATOM   182  C CB   . ILE A 1 12 ? 40.297 -2.909 30.446 1.00 26.41  ? 12  ILE A CB   1 
ATOM   183  C CG1  . ILE A 1 12 ? 41.362 -2.009 31.086 1.00 37.55  ? 12  ILE A CG1  1 
ATOM   184  C CG2  . ILE A 1 12 ? 40.836 -4.319 30.316 1.00 37.26  ? 12  ILE A CG2  1 
ATOM   185  C CD1  . ILE A 1 12 ? 41.135 -1.708 32.546 1.00 64.54  ? 12  ILE A CD1  1 
ATOM   186  H H    . ILE A 1 12 ? 41.560 -1.587 28.355 1.00 28.96  ? 12  ILE A H    1 
ATOM   187  H HA   . ILE A 1 12 ? 39.246 -2.954 28.669 1.00 28.40  ? 12  ILE A HA   1 
ATOM   188  H HB   . ILE A 1 12 ? 39.513 -2.924 31.017 1.00 31.71  ? 12  ILE A HB   1 
ATOM   189  H HG12 . ILE A 1 12 ? 42.225 -2.445 31.007 1.00 45.08  ? 12  ILE A HG12 1 
ATOM   190  H HG13 . ILE A 1 12 ? 41.379 -1.163 30.611 1.00 45.08  ? 12  ILE A HG13 1 
ATOM   191  H HG21 . ILE A 1 12 ? 41.079 -4.646 31.196 1.00 44.73  ? 12  ILE A HG21 1 
ATOM   192  H HG22 . ILE A 1 12 ? 40.149 -4.886 29.931 1.00 44.73  ? 12  ILE A HG22 1 
ATOM   193  H HG23 . ILE A 1 12 ? 41.617 -4.307 29.740 1.00 44.73  ? 12  ILE A HG23 1 
ATOM   194  H HD11 . ILE A 1 12 ? 41.851 -1.137 32.865 1.00 77.47  ? 12  ILE A HD11 1 
ATOM   195  H HD12 . ILE A 1 12 ? 40.282 -1.256 32.646 1.00 77.47  ? 12  ILE A HD12 1 
ATOM   196  H HD13 . ILE A 1 12 ? 41.129 -2.541 33.043 1.00 77.47  ? 12  ILE A HD13 1 
ATOM   197  N N    . GLY A 1 13 ? 38.010 -0.980 29.709 1.00 21.10  ? 13  GLY A N    1 
ATOM   198  C CA   . GLY A 1 13 ? 37.410 0.246  30.183 1.00 19.57  ? 13  GLY A CA   1 
ATOM   199  C C    . GLY A 1 13 ? 37.939 0.563  31.572 1.00 21.19  ? 13  GLY A C    1 
ATOM   200  O O    . GLY A 1 13 ? 38.199 -0.326 32.381 1.00 22.48  ? 13  GLY A O    1 
ATOM   201  H H    . GLY A 1 13 ? 37.505 -1.673 29.771 1.00 25.22  ? 13  GLY A H    1 
ATOM   202  H HA2  . GLY A 1 13 ? 37.630 0.977  29.585 1.00 23.38  ? 13  GLY A HA2  1 
ATOM   203  H HA3  . GLY A 1 13 ? 36.446 0.150  30.225 1.00 23.38  ? 13  GLY A HA3  1 
ATOM   204  N N    . LEU A 1 14 ? 38.142 1.849  31.819 1.00 19.37  ? 14  LEU A N    1 
ATOM   205  C CA   . LEU A 1 14 ? 38.606 2.341  33.118 1.00 27.24  ? 14  LEU A CA   1 
ATOM   206  C C    . LEU A 1 14 ? 37.591 3.330  33.688 1.00 20.55  ? 14  LEU A C    1 
ATOM   207  O O    . LEU A 1 14 ? 37.165 4.239  32.977 1.00 17.69  ? 14  LEU A O    1 
ATOM   208  C CB   . LEU A 1 14 ? 39.960 3.024  32.961 1.00 28.93  ? 14  LEU A CB   1 
ATOM   209  C CG   . LEU A 1 14 ? 41.096 2.738  33.932 1.00 67.23  ? 14  LEU A CG   1 
ATOM   210  C CD1  . LEU A 1 14 ? 42.191 3.777  33.698 1.00 53.22  ? 14  LEU A CD1  1 
ATOM   211  C CD2  . LEU A 1 14 ? 40.627 2.742  35.375 1.00 56.20  ? 14  LEU A CD2  1 
ATOM   212  H H    . LEU A 1 14 ? 38.016 2.473  31.241 1.00 23.15  ? 14  LEU A H    1 
ATOM   213  H HA   . LEU A 1 14 ? 38.701 1.598  33.735 1.00 32.71  ? 14  LEU A HA   1 
ATOM   214  H HB2  . LEU A 1 14 ? 40.295 2.800  32.079 1.00 34.74  ? 14  LEU A HB2  1 
ATOM   215  H HB3  . LEU A 1 14 ? 39.805 3.980  32.998 1.00 34.74  ? 14  LEU A HB3  1 
ATOM   216  H HG   . LEU A 1 14 ? 41.467 1.863  33.738 1.00 80.70  ? 14  LEU A HG   1 
ATOM   217  H HD11 . LEU A 1 14 ? 42.923 3.608  34.311 1.00 63.88  ? 14  LEU A HD11 1 
ATOM   218  H HD12 . LEU A 1 14 ? 42.502 3.707  32.782 1.00 63.88  ? 14  LEU A HD12 1 
ATOM   219  H HD13 . LEU A 1 14 ? 41.824 4.662  33.856 1.00 63.88  ? 14  LEU A HD13 1 
ATOM   220  H HD21 . LEU A 1 14 ? 41.383 2.556  35.953 1.00 67.46  ? 14  LEU A HD21 1 
ATOM   221  H HD22 . LEU A 1 14 ? 40.257 3.614  35.584 1.00 67.46  ? 14  LEU A HD22 1 
ATOM   222  H HD23 . LEU A 1 14 ? 39.948 2.058  35.488 1.00 67.46  ? 14  LEU A HD23 1 
HETATM 223  N N    . ORN A 1 15 ? 37.219 3.176  34.958 1.00 20.76  ? 15  ORN A N    1 
HETATM 224  C CA   . ORN A 1 15 ? 36.383 4.024  35.522 1.00 26.22  ? 15  ORN A CA   1 
HETATM 225  C CB   . ORN A 1 15 ? 35.481 3.282  36.491 1.00 22.24  ? 15  ORN A CB   1 
HETATM 226  C CG   . ORN A 1 15 ? 34.756 4.213  37.443 1.00 37.90  ? 15  ORN A CG   1 
HETATM 227  C CD   . ORN A 1 15 ? 33.696 3.426  38.201 1.00 40.84  ? 15  ORN A CD   1 
HETATM 228  N NE   . ORN A 1 15 ? 33.895 3.582  39.605 1.00 67.59  ? 15  ORN A NE   1 
HETATM 229  C C    . ORN A 1 15 ? 37.012 5.128  36.030 1.00 24.64  ? 15  ORN A C    1 
HETATM 230  O O    . ORN A 1 15 ? 37.761 4.963  36.985 1.00 25.30  ? 15  ORN A O    1 
HETATM 231  H H    . ORN A 1 15 ? 37.530 2.486  35.470 1.00 24.81  ? 15  ORN A H    1 
HETATM 232  H HA   . ORN A 1 15 ? 35.713 4.317  34.868 1.00 31.49  ? 15  ORN A HA   1 
HETATM 233  H HB2  . ORN A 1 15 ? 36.010 2.636  37.000 1.00 26.71  ? 15  ORN A HB2  1 
HETATM 234  H HB3  . ORN A 1 15 ? 34.807 2.799  35.971 1.00 26.71  ? 15  ORN A HB3  1 
HETATM 235  H HG2  . ORN A 1 15 ? 34.325 4.929  36.935 1.00 45.49  ? 15  ORN A HG2  1 
HETATM 236  H HG3  . ORN A 1 15 ? 35.395 4.599  38.074 1.00 45.49  ? 15  ORN A HG3  1 
HETATM 237  H HD2  . ORN A 1 15 ? 33.767 2.477  37.967 1.00 49.03  ? 15  ORN A HD2  1 
HETATM 238  H HD3  . ORN A 1 15 ? 32.807 3.757  37.957 1.00 49.03  ? 15  ORN A HD3  1 
HETATM 239  H HE1  . ORN A 1 15 ? 34.724 3.261  39.834 1.00 81.12  ? 15  ORN A HE1  1 
HETATM 240  H HE2  . ORN A 1 15 ? 33.839 4.471  39.825 1.00 81.12  ? 15  ORN A HE2  1 
HETATM 241  H HN3  . ORN A 1 15 ? 33.249 3.113  40.059 1.00 81.12  ? 15  ORN A HN3  1 
ATOM   242  N N    . VAL A 1 16 ? 36.794 6.303  35.469 1.00 18.83  ? 16  VAL A N    1 
ATOM   243  C CA   . VAL A 1 16 ? 37.465 7.500  35.992 1.00 19.77  ? 16  VAL A CA   1 
ATOM   244  C C    . VAL A 1 16 ? 36.421 8.431  36.609 1.00 19.24  ? 16  VAL A C    1 
ATOM   245  O O    . VAL A 1 16 ? 35.957 9.404  35.999 1.00 17.98  ? 16  VAL A O    1 
ATOM   246  C CB   . VAL A 1 16 ? 38.292 8.209  34.908 1.00 19.52  ? 16  VAL A CB   1 
ATOM   247  C CG1  . VAL A 1 16 ? 39.068 9.382  35.517 1.00 23.24  ? 16  VAL A CG1  1 
ATOM   248  C CG2  . VAL A 1 16 ? 39.258 7.229  34.266 1.00 20.27  ? 16  VAL A CG2  1 
ATOM   249  H H    . VAL A 1 16 ? 36.375 6.357  34.762 1.00 22.50  ? 16  VAL A H    1 
ATOM   250  H HA   . VAL A 1 16 ? 38.074 7.231  36.698 1.00 23.63  ? 16  VAL A HA   1 
ATOM   251  H HB   . VAL A 1 16 ? 37.699 8.554  34.222 1.00 23.32  ? 16  VAL A HB   1 
ATOM   252  H HG11 . VAL A 1 16 ? 39.582 9.817  34.819 1.00 27.90  ? 16  VAL A HG11 1 
ATOM   253  H HG12 . VAL A 1 16 ? 38.438 10.011 35.904 1.00 27.90  ? 16  VAL A HG12 1 
ATOM   254  H HG13 . VAL A 1 16 ? 39.663 9.044  36.205 1.00 27.90  ? 16  VAL A HG13 1 
ATOM   255  H HG21 . VAL A 1 16 ? 39.771 7.692  33.585 1.00 24.22  ? 16  VAL A HG21 1 
ATOM   256  H HG22 . VAL A 1 16 ? 39.853 6.879  34.948 1.00 24.22  ? 16  VAL A HG22 1 
ATOM   257  H HG23 . VAL A 1 16 ? 38.753 6.505  33.865 1.00 24.22  ? 16  VAL A HG23 1 
HETATM 258  N N    . ORN B 1 1  ? 36.832 17.404 17.661 1.00 22.17  ? 1   ORN B N    1 
HETATM 259  C CA   . ORN B 1 1  ? 36.458 17.070 19.062 1.00 25.52  ? 1   ORN B CA   1 
HETATM 260  C CB   . ORN B 1 1  ? 35.077 17.659 19.408 1.00 26.00  ? 1   ORN B CB   1 
HETATM 261  C CG   . ORN B 1 1  ? 35.081 19.192 19.581 1.00 33.51  ? 1   ORN B CG   1 
HETATM 262  C CD   . ORN B 1 1  ? 35.683 19.650 20.915 1.00 30.77  ? 1   ORN B CD   1 
HETATM 263  N NE   . ORN B 1 1  ? 34.952 19.097 22.048 1.00 29.36  ? 1   ORN B NE   1 
HETATM 264  C C    . ORN B 1 1  ? 36.424 15.540 19.241 1.00 20.35  ? 1   ORN B C    1 
HETATM 265  O O    . ORN B 1 1  ? 36.505 14.780 18.278 1.00 20.97  ? 1   ORN B O    1 
HETATM 266  H H1   . ORN B 1 1  ? 36.074 17.252 16.991 1.00 26.63  ? 1   ORN B H1   1 
HETATM 267  H H2   . ORN B 1 1  ? 37.109 18.382 17.539 1.00 26.63  ? 1   ORN B H2   1 
HETATM 268  H H3   . ORN B 1 1  ? 37.620 16.854 17.310 1.00 26.63  ? 1   ORN B H3   1 
HETATM 269  H HA   . ORN B 1 1  ? 37.259 17.464 19.693 1.00 30.65  ? 1   ORN B HA   1 
HETATM 270  H HB2  . ORN B 1 1  ? 34.350 17.395 18.627 1.00 31.22  ? 1   ORN B HB2  1 
HETATM 271  H HB3  . ORN B 1 1  ? 34.769 17.232 20.373 1.00 31.22  ? 1   ORN B HB3  1 
HETATM 272  H HG2  . ORN B 1 1  ? 35.654 19.638 18.760 1.00 40.23  ? 1   ORN B HG2  1 
HETATM 273  H HG3  . ORN B 1 1  ? 34.048 19.554 19.525 1.00 40.23  ? 1   ORN B HG3  1 
HETATM 274  H HD2  . ORN B 1 1  ? 36.724 19.315 20.966 1.00 36.94  ? 1   ORN B HD2  1 
HETATM 275  H HD3  . ORN B 1 1  ? 35.625 20.741 20.967 1.00 36.94  ? 1   ORN B HD3  1 
HETATM 276  H HE1  . ORN B 1 1  ? 34.126 19.621 22.329 1.00 35.25  ? 1   ORN B HE1  1 
ATOM   277  N N    . CYS B 1 2  ? 36.296 15.107 20.538 1.00 20.75  ? 2   CYS B N    1 
ATOM   278  C CA   . CYS B 1 2  ? 36.232 13.700 20.896 1.00 19.64  ? 2   CYS B CA   1 
ATOM   279  C C    . CYS B 1 2  ? 34.890 13.413 21.546 1.00 18.63  ? 2   CYS B C    1 
ATOM   280  O O    . CYS B 1 2  ? 34.201 14.317 22.010 1.00 19.30  ? 2   CYS B O    1 
ATOM   281  C CB   . CYS B 1 2  ? 37.369 13.323 21.847 1.00 20.44  ? 2   CYS B CB   1 
ATOM   282  S SG   . CYS B 1 2  ? 39.012 13.715 21.236 1.00 25.35  ? 2   CYS B SG   1 
ATOM   283  H H    . CYS B 1 2  ? 36.233 15.635 21.213 1.00 24.92  ? 2   CYS B H    1 
ATOM   284  H HA   . CYS B 1 2  ? 36.308 13.158 20.095 1.00 23.47  ? 2   CYS B HA   1 
ATOM   285  H HB2  . CYS B 1 2  ? 37.244 13.798 22.683 1.00 24.43  ? 2   CYS B HB2  1 
ATOM   286  H HB3  . CYS B 1 2  ? 37.335 12.367 22.007 1.00 24.43  ? 2   CYS B HB3  1 
ATOM   287  N N    . VAL B 1 3  ? 34.517 12.145 21.570 1.00 18.63  ? 3   VAL B N    1 
ATOM   288  C CA   . VAL B 1 3  ? 33.305 11.696 22.243 1.00 17.91  ? 3   VAL B CA   1 
ATOM   289  C C    . VAL B 1 3  ? 33.745 10.985 23.514 1.00 17.91  ? 3   VAL B C    1 
ATOM   290  O O    . VAL B 1 3  ? 34.512 10.018 23.451 1.00 18.78  ? 3   VAL B O    1 
ATOM   291  C CB   . VAL B 1 3  ? 32.468 10.762 21.352 1.00 19.97  ? 3   VAL B CB   1 
ATOM   292  C CG1  . VAL B 1 3  ? 31.249 10.240 22.128 1.00 17.89  ? 3   VAL B CG1  1 
ATOM   293  C CG2  . VAL B 1 3  ? 32.040 11.478 20.080 1.00 46.66  ? 3   VAL B CG2  1 
ATOM   294  H H    . VAL B 1 3  ? 34.957 11.509 21.196 1.00 22.25  ? 3   VAL B H    1 
ATOM   295  H HA   . VAL B 1 3  ? 32.763 12.462 22.487 1.00 21.39  ? 3   VAL B HA   1 
ATOM   296  H HB   . VAL B 1 3  ? 33.011 9.999  21.097 1.00 23.99  ? 3   VAL B HB   1 
ATOM   297  H HG11 . VAL B 1 3  ? 30.735 9.654  21.551 1.00 21.37  ? 3   VAL B HG11 1 
ATOM   298  H HG12 . VAL B 1 3  ? 31.557 9.750  22.907 1.00 21.37  ? 3   VAL B HG12 1 
ATOM   299  H HG13 . VAL B 1 3  ? 30.705 10.994 22.405 1.00 21.37  ? 3   VAL B HG13 1 
ATOM   300  H HG21 . VAL B 1 3  ? 31.515 10.870 19.537 1.00 56.01  ? 3   VAL B HG21 1 
ATOM   301  H HG22 . VAL B 1 3  ? 31.507 12.253 20.319 1.00 56.01  ? 3   VAL B HG22 1 
ATOM   302  H HG23 . VAL B 1 3  ? 32.831 11.758 19.594 1.00 56.01  ? 3   VAL B HG23 1 
ATOM   303  N N    . PHE B 1 4  ? 33.275 11.464 24.663 1.00 17.40  ? 4   PHE B N    1 
ATOM   304  C CA   . PHE B 1 4  ? 33.530 10.771 25.925 1.00 17.73  ? 4   PHE B CA   1 
ATOM   305  C C    . PHE B 1 4  ? 32.258 10.075 26.419 1.00 17.80  ? 4   PHE B C    1 
ATOM   306  O O    . PHE B 1 4  ? 31.152 10.547 26.121 1.00 17.81  ? 4   PHE B O    1 
ATOM   307  C CB   . PHE B 1 4  ? 34.068 11.745 26.978 1.00 19.63  ? 4   PHE B CB   1 
ATOM   308  C CG   . PHE B 1 4  ? 35.513 12.121 26.754 1.00 27.46  ? 4   PHE B CG   1 
ATOM   309  C CD1  . PHE B 1 4  ? 35.848 13.113 25.851 1.00 26.36  ? 4   PHE B CD1  1 
ATOM   310  C CD2  . PHE B 1 4  ? 36.531 11.464 27.428 1.00 51.29  ? 4   PHE B CD2  1 
ATOM   311  C CE1  . PHE B 1 4  ? 37.176 13.450 25.619 1.00 24.64  ? 4   PHE B CE1  1 
ATOM   312  C CE2  . PHE B 1 4  ? 37.860 11.798 27.206 1.00 39.31  ? 4   PHE B CE2  1 
ATOM   313  C CZ   . PHE B 1 4  ? 38.181 12.792 26.300 1.00 26.51  ? 4   PHE B CZ   1 
ATOM   314  H H    . PHE B 1 4  ? 32.809 12.182 24.740 1.00 20.78  ? 4   PHE B H    1 
ATOM   315  H HA   . PHE B 1 4  ? 34.205 10.089 25.778 1.00 21.17  ? 4   PHE B HA   1 
ATOM   316  H HB2  . PHE B 1 4  ? 33.541 12.559 26.953 1.00 23.58  ? 4   PHE B HB2  1 
ATOM   317  H HB3  . PHE B 1 4  ? 33.999 11.333 27.853 1.00 23.58  ? 4   PHE B HB3  1 
ATOM   318  H HD1  . PHE B 1 4  ? 35.175 13.556 25.386 1.00 31.66  ? 4   PHE B HD1  1 
ATOM   319  H HD2  . PHE B 1 4  ? 36.322 10.792 28.035 1.00 61.56  ? 4   PHE B HD2  1 
ATOM   320  H HE1  . PHE B 1 4  ? 37.387 14.122 25.012 1.00 29.59  ? 4   PHE B HE1  1 
ATOM   321  H HE2  . PHE B 1 4  ? 38.534 11.353 27.667 1.00 47.19  ? 4   PHE B HE2  1 
ATOM   322  H HZ   . PHE B 1 4  ? 39.071 13.020 26.154 1.00 31.83  ? 4   PHE B HZ   1 
HETATM 323  C C1   . MEA B 1 5  ? 33.612 8.358  27.570 1.00 18.91  ? 5   MEA B C1   1 
HETATM 324  N N    . MEA B 1 5  ? 32.392 8.953  27.137 1.00 17.60  ? 5   MEA B N    1 
HETATM 325  C CA   . MEA B 1 5  ? 31.206 8.309  27.703 1.00 17.19  ? 5   MEA B CA   1 
HETATM 326  C C    . MEA B 1 5  ? 31.236 8.406  29.241 1.00 17.59  ? 5   MEA B C    1 
HETATM 327  O O    . MEA B 1 5  ? 32.066 7.748  29.910 1.00 18.71  ? 5   MEA B O    1 
HETATM 328  C CB   . MEA B 1 5  ? 31.045 6.895  27.328 1.00 17.73  ? 5   MEA B CB   1 
HETATM 329  C CG   . MEA B 1 5  ? 31.075 6.791  25.796 1.00 25.37  ? 5   MEA B CG   1 
HETATM 330  C CD1  . MEA B 1 5  ? 29.922 7.057  25.064 1.00 36.92  ? 5   MEA B CD1  1 
HETATM 331  C CE1  . MEA B 1 5  ? 29.950 6.964  23.673 1.00 33.97  ? 5   MEA B CE1  1 
HETATM 332  C CZ   . MEA B 1 5  ? 31.139 6.611  23.025 1.00 25.08  ? 5   MEA B CZ   1 
HETATM 333  C CE2  . MEA B 1 5  ? 32.301 6.354  23.763 1.00 42.40  ? 5   MEA B CE2  1 
HETATM 334  C CD2  . MEA B 1 5  ? 32.273 6.445  25.138 1.00 43.10  ? 5   MEA B CD2  1 
HETATM 335  H HC1  . MEA B 1 5  ? 33.861 8.725  28.461 1.00 22.60  ? 5   MEA B HC1  1 
HETATM 336  H HC2  . MEA B 1 5  ? 34.323 8.561  26.921 1.00 22.60  ? 5   MEA B HC2  1 
HETATM 337  H HC3  . MEA B 1 5  ? 33.496 7.370  27.639 1.00 22.60  ? 5   MEA B HC3  1 
HETATM 338  H HA   . MEA B 1 5  ? 30.410 8.802  27.382 1.00 20.53  ? 5   MEA B HA   1 
HETATM 339  H HB1  . MEA B 1 5  ? 30.183 6.559  27.665 1.00 21.17  ? 5   MEA B HB1  1 
HETATM 340  H HB2  . MEA B 1 5  ? 31.782 6.364  27.713 1.00 21.17  ? 5   MEA B HB2  1 
HETATM 341  H HD1  . MEA B 1 5  ? 29.099 7.297  25.520 1.00 44.32  ? 5   MEA B HD1  1 
HETATM 342  H HE1  . MEA B 1 5  ? 29.136 7.145  23.148 1.00 40.78  ? 5   MEA B HE1  1 
HETATM 343  H HZ   . MEA B 1 5  ? 31.160 6.549  22.034 1.00 30.12  ? 5   MEA B HZ   1 
HETATM 344  H HE2  . MEA B 1 5  ? 33.116 6.113  23.310 1.00 50.90  ? 5   MEA B HE2  1 
HETATM 345  H HD2  . MEA B 1 5  ? 33.174 6.225  25.454 1.00 51.75  ? 5   MEA B HD2  1 
ATOM   346  N N    . CYS B 1 6  ? 30.319 9.199  29.784 1.00 17.16  ? 6   CYS B N    1 
ATOM   347  C CA   . CYS B 1 6  ? 30.355 9.565  31.199 1.00 17.96  ? 6   CYS B CA   1 
ATOM   348  C C    . CYS B 1 6  ? 28.971 9.531  31.845 1.00 17.76  ? 6   CYS B C    1 
ATOM   349  O O    . CYS B 1 6  ? 27.949 9.640  31.163 1.00 17.09  ? 6   CYS B O    1 
ATOM   350  C CB   . CYS B 1 6  ? 30.957 10.957 31.353 1.00 18.60  ? 6   CYS B CB   1 
ATOM   351  S SG   . CYS B 1 6  ? 32.460 11.212 30.421 1.00 18.97  ? 6   CYS B SG   1 
ATOM   352  H H    . CYS B 1 6  ? 29.659 9.541  29.351 1.00 20.49  ? 6   CYS B H    1 
ATOM   353  H HA   . CYS B 1 6  ? 30.924 8.938  31.674 1.00 21.46  ? 6   CYS B HA   1 
ATOM   354  H HB2  . CYS B 1 6  ? 30.308 11.612 31.051 1.00 22.22  ? 6   CYS B HB2  1 
ATOM   355  H HB3  . CYS B 1 6  ? 31.162 11.106 32.289 1.00 22.22  ? 6   CYS B HB3  1 
ATOM   356  N N    . GLU B 1 7  ? 28.936 9.389  33.168 1.00 18.76  ? 7   GLU B N    1 
ATOM   357  C CA   . GLU B 1 7  ? 27.675 9.330  33.893 1.00 18.93  ? 7   GLU B CA   1 
ATOM   358  C C    . GLU B 1 7  ? 27.255 10.716 34.365 1.00 28.93  ? 7   GLU B C    1 
ATOM   359  O O    . GLU B 1 7  ? 28.043 11.438 34.989 1.00 21.07  ? 7   GLU B O    1 
ATOM   360  C CB   . GLU B 1 7  ? 27.774 8.388  35.090 1.00 26.39  ? 7   GLU B CB   1 
ATOM   361  C CG   . GLU B 1 7  ? 26.419 8.154  35.748 1.00 31.09  ? 7   GLU B CG   1 
ATOM   362  C CD   . GLU B 1 7  ? 26.428 7.013  36.733 1.00 28.95  ? 7   GLU B CD   1 
ATOM   363  O OE1  . GLU B 1 7  ? 27.449 6.816  37.417 1.00 31.20  ? 7   GLU B OE1  1 
ATOM   364  O OE2  . GLU B 1 7  ? 25.406 6.308  36.815 1.00 29.57  ? 7   GLU B OE2  1 
ATOM   365  H H    . GLU B 1 7  ? 29.632 9.324  33.669 1.00 22.42  ? 7   GLU B H    1 
ATOM   366  H HA   . GLU B 1 7  ? 26.985 8.993  33.300 1.00 22.61  ? 7   GLU B HA   1 
ATOM   367  H HB2  . GLU B 1 7  ? 28.117 7.531  34.792 1.00 31.68  ? 7   GLU B HB2  1 
ATOM   368  H HB3  . GLU B 1 7  ? 28.368 8.775  35.751 1.00 31.68  ? 7   GLU B HB3  1 
ATOM   369  H HG2  . GLU B 1 7  ? 26.158 8.958  36.225 1.00 37.33  ? 7   GLU B HG2  1 
ATOM   370  H HG3  . GLU B 1 7  ? 25.766 7.951  35.061 1.00 37.33  ? 7   GLU B HG3  1 
ATOM   371  N N    . ASP B 1 8  ? 26.005 11.067 34.085 1.00 21.52  ? 8   ASP B N    1 
ATOM   372  C CA   . ASP B 1 8  ? 25.436 12.349 34.486 1.00 30.10  ? 8   ASP B CA   1 
ATOM   373  C C    . ASP B 1 8  ? 24.120 12.138 35.223 1.00 33.18  ? 8   ASP B C    1 
ATOM   374  O O    . ASP B 1 8  ? 23.112 11.773 34.618 1.00 26.60  ? 8   ASP B O    1 
ATOM   375  C CB   . ASP B 1 8  ? 25.212 13.232 33.264 1.00 32.46  ? 8   ASP B CB   1 
ATOM   376  C CG   . ASP B 1 8  ? 24.983 14.686 33.629 1.00 32.11  ? 8   ASP B CG   1 
ATOM   377  O OD1  . ASP B 1 8  ? 24.688 14.964 34.809 1.00 32.72  ? 8   ASP B OD1  1 
ATOM   378  O OD2  . ASP B 1 8  ? 25.108 15.545 32.734 1.00 43.76  ? 8   ASP B OD2  1 
ATOM   379  H H    . ASP B 1 8  ? 25.454 10.568 33.653 1.00 25.85  ? 8   ASP B H    1 
ATOM   380  H HA   . ASP B 1 8  ? 26.052 12.802 35.082 1.00 36.15  ? 8   ASP B HA   1 
ATOM   381  H HB2  . ASP B 1 8  ? 25.994 13.186 32.692 1.00 38.98  ? 8   ASP B HB2  1 
ATOM   382  H HB3  . ASP B 1 8  ? 24.431 12.916 32.784 1.00 38.98  ? 8   ASP B HB3  1 
HETATM 383  N N    . ORN B 1 9  ? 20.527 8.975  37.260 1.00 50.13  ? 9   ORN B N    1 
HETATM 384  C CA   . ORN B 1 9  ? 21.570 9.447  36.317 1.00 31.71  ? 9   ORN B CA   1 
HETATM 385  C CB   . ORN B 1 9  ? 22.908 9.644  37.035 1.00 27.65  ? 9   ORN B CB   1 
HETATM 386  C CG   . ORN B 1 9  ? 22.895 10.799 38.061 1.00 27.91  ? 9   ORN B CG   1 
HETATM 387  C CD   . ORN B 1 9  ? 22.963 12.200 37.421 1.00 30.85  ? 9   ORN B CD   1 
HETATM 388  N NE   . ORN B 1 9  ? 24.148 12.358 36.581 1.00 35.49  ? 9   ORN B NE   1 
HETATM 389  C C    . ORN B 1 9  ? 21.736 8.438  35.154 1.00 29.69  ? 9   ORN B C    1 
HETATM 390  O O    . ORN B 1 9  ? 21.317 7.282  35.232 1.00 36.09  ? 9   ORN B O    1 
HETATM 391  H H2   . ORN B 1 9  ? 19.688 8.623  36.792 1.00 60.17  ? 9   ORN B H2   1 
HETATM 392  H H    . ORN B 1 9  ? 20.196 9.705  37.896 1.00 60.17  ? 9   ORN B H    1 
HETATM 393  H H3   . ORN B 1 9  ? 20.842 8.211  37.863 1.00 60.17  ? 9   ORN B H3   1 
HETATM 394  H HA   . ORN B 1 9  ? 21.183 10.378 35.891 1.00 38.07  ? 9   ORN B HA   1 
HETATM 395  H HB2  . ORN B 1 9  ? 23.195 8.718  37.554 1.00 33.20  ? 9   ORN B HB2  1 
HETATM 396  H HB3  . ORN B 1 9  ? 23.659 9.901  36.275 1.00 33.20  ? 9   ORN B HB3  1 
HETATM 397  H HG2  . ORN B 1 9  ? 21.977 10.726 38.657 1.00 33.51  ? 9   ORN B HG2  1 
HETATM 398  H HG3  . ORN B 1 9  ? 23.755 10.682 38.730 1.00 33.51  ? 9   ORN B HG3  1 
HETATM 399  H HD2  . ORN B 1 9  ? 22.071 12.350 36.806 1.00 37.04  ? 9   ORN B HD2  1 
HETATM 400  H HD3  . ORN B 1 9  ? 23.008 12.945 38.221 1.00 37.04  ? 9   ORN B HD3  1 
HETATM 401  H HE1  . ORN B 1 9  ? 24.991 12.658 37.066 1.00 42.60  ? 9   ORN B HE1  1 
ATOM   402  N N    . ALA B 1 10 ? 22.375 8.924  34.043 1.00 34.32  ? 10  ALA B N    1 
ATOM   403  C CA   . ALA B 1 10 ? 22.591 8.107  32.860 1.00 31.89  ? 10  ALA B CA   1 
ATOM   404  C C    . ALA B 1 10 ? 23.982 8.280  32.262 1.00 23.70  ? 10  ALA B C    1 
ATOM   405  O O    . ALA B 1 10 ? 24.620 9.318  32.451 1.00 22.79  ? 10  ALA B O    1 
ATOM   406  C CB   . ALA B 1 10 ? 21.548 8.447  31.827 1.00 25.53  ? 10  ALA B CB   1 
ATOM   407  H H    . ALA B 1 10 ? 22.666 9.730  33.967 1.00 41.21  ? 10  ALA B H    1 
ATOM   408  H HA   . ALA B 1 10 ? 22.482 7.173  33.098 1.00 38.28  ? 10  ALA B HA   1 
ATOM   409  H HB1  . ALA B 1 10 ? 21.695 7.900  31.039 1.00 30.66  ? 10  ALA B HB1  1 
ATOM   410  H HB2  . ALA B 1 10 ? 20.669 8.268  32.196 1.00 30.66  ? 10  ALA B HB2  1 
ATOM   411  H HB3  . ALA B 1 10 ? 21.627 9.386  31.598 1.00 30.66  ? 10  ALA B HB3  1 
HETATM 412  N N    . CHG B 1 11 ? 24.428 7.245  31.543 1.00 24.67  ? 11  CHG B N    1 
HETATM 413  C CA   . CHG B 1 11 ? 25.480 7.254  30.833 1.00 30.21  ? 11  CHG B CA   1 
HETATM 414  C C    . CHG B 1 11 ? 25.270 7.713  29.598 1.00 28.94  ? 11  CHG B C    1 
HETATM 415  O O    . CHG B 1 11 ? 24.472 7.174  28.904 1.00 17.28  ? 11  CHG B O    1 
HETATM 416  C C1   . CHG B 1 11 ? 26.363 6.001  30.924 1.00 25.34  ? 11  CHG B C1   1 
HETATM 417  C C2   . CHG B 1 11 ? 27.683 6.132  30.159 1.00 24.76  ? 11  CHG B C2   1 
HETATM 418  C C3   . CHG B 1 11 ? 28.482 4.832  30.253 1.00 27.94  ? 11  CHG B C3   1 
HETATM 419  C C4   . CHG B 1 11 ? 28.783 4.488  31.706 1.00 30.58  ? 11  CHG B C4   1 
HETATM 420  C C5   . CHG B 1 11 ? 27.496 4.414  32.526 1.00 34.61  ? 11  CHG B C5   1 
HETATM 421  C C6   . CHG B 1 11 ? 26.651 5.680  32.388 1.00 21.49  ? 11  CHG B C6   1 
HETATM 422  H H2   . CHG B 1 11 ? 28.204 6.855  30.543 1.00 29.73  ? 11  CHG B H2   1 
HETATM 423  H HN   . CHG B 1 11 ? 23.989 6.506  31.543 1.00 29.62  ? 11  CHG B HN   1 
HETATM 424  H HA   . CHG B 1 11 ? 26.091 7.871  31.266 1.00 36.28  ? 11  CHG B HA   1 
HETATM 425  H H1   . CHG B 1 11 ? 25.872 5.255  30.544 1.00 30.42  ? 11  CHG B H1   1 
HETATM 426  H H2A  . CHG B 1 11 ? 27.496 6.326  29.228 1.00 29.73  ? 11  CHG B H2A  1 
HETATM 427  H H3   . CHG B 1 11 ? 29.317 4.936  29.771 1.00 33.55  ? 11  CHG B H3   1 
HETATM 428  H H3A  . CHG B 1 11 ? 27.966 4.112  29.856 1.00 33.55  ? 11  CHG B H3A  1 
HETATM 429  H H4   . CHG B 1 11 ? 29.360 5.171  32.081 1.00 36.71  ? 11  CHG B H4   1 
HETATM 430  H H4A  . CHG B 1 11 ? 29.232 3.629  31.743 1.00 36.71  ? 11  CHG B H4A  1 
HETATM 431  H H5   . CHG B 1 11 ? 27.727 4.293  33.461 1.00 41.55  ? 11  CHG B H5   1 
HETATM 432  H H5A  . CHG B 1 11 ? 26.975 3.654  32.224 1.00 41.55  ? 11  CHG B H5A  1 
HETATM 433  H H6   . CHG B 1 11 ? 27.128 6.424  32.787 1.00 25.81  ? 11  CHG B H6   1 
HETATM 434  H H6A  . CHG B 1 11 ? 25.810 5.550  32.853 1.00 25.81  ? 11  CHG B H6A  1 
ATOM   435  N N    . ILE B 1 12 ? 25.999 8.746  29.181 1.00 16.63  ? 12  ILE B N    1 
ATOM   436  C CA   . ILE B 1 12 ? 25.763 9.402  27.886 1.00 16.79  ? 12  ILE B CA   1 
ATOM   437  C C    . ILE B 1 12 ? 27.078 9.703  27.172 1.00 16.44  ? 12  ILE B C    1 
ATOM   438  O O    . ILE B 1 12 ? 28.135 9.712  27.794 1.00 18.48  ? 12  ILE B O    1 
ATOM   439  C CB   . ILE B 1 12 ? 24.969 10.710 28.071 1.00 22.50  ? 12  ILE B CB   1 
ATOM   440  C CG1  . ILE B 1 12 ? 25.708 11.618 29.072 1.00 25.49  ? 12  ILE B CG1  1 
ATOM   441  C CG2  . ILE B 1 12 ? 23.548 10.401 28.538 1.00 24.01  ? 12  ILE B CG2  1 
ATOM   442  C CD1  . ILE B 1 12 ? 25.106 12.990 29.262 1.00 54.07  ? 12  ILE B CD1  1 
ATOM   443  H H    . ILE B 1 12 ? 26.644 9.092  29.632 1.00 19.98  ? 12  ILE B H    1 
ATOM   444  H HA   . ILE B 1 12 ? 25.242 8.811  27.321 1.00 20.16  ? 12  ILE B HA   1 
ATOM   445  H HB   . ILE B 1 12 ? 24.922 11.167 27.217 1.00 27.02  ? 12  ILE B HB   1 
ATOM   446  H HG12 . ILE B 1 12 ? 25.715 11.181 29.938 1.00 30.60  ? 12  ILE B HG12 1 
ATOM   447  H HG13 . ILE B 1 12 ? 26.620 11.740 28.763 1.00 30.60  ? 12  ILE B HG13 1 
ATOM   448  H HG21 . ILE B 1 12 ? 23.064 11.234 28.649 1.00 28.83  ? 12  ILE B HG21 1 
ATOM   449  H HG22 . ILE B 1 12 ? 23.110 9.850  27.871 1.00 28.83  ? 12  ILE B HG22 1 
ATOM   450  H HG23 . ILE B 1 12 ? 23.590 9.927  29.383 1.00 28.83  ? 12  ILE B HG23 1 
ATOM   451  H HD11 . ILE B 1 12 ? 25.639 13.482 29.906 1.00 64.91  ? 12  ILE B HD11 1 
ATOM   452  H HD12 . ILE B 1 12 ? 25.105 13.455 28.410 1.00 64.91  ? 12  ILE B HD12 1 
ATOM   453  H HD13 . ILE B 1 12 ? 24.198 12.894 29.589 1.00 64.91  ? 12  ILE B HD13 1 
ATOM   454  N N    . GLY B 1 13 ? 27.014 9.954  25.863 1.00 18.16  ? 13  GLY B N    1 
ATOM   455  C CA   . GLY B 1 13 ? 28.165 10.496 25.162 1.00 17.11  ? 13  GLY B CA   1 
ATOM   456  C C    . GLY B 1 13 ? 28.218 12.004 25.311 1.00 18.44  ? 13  GLY B C    1 
ATOM   457  O O    . GLY B 1 13 ? 27.195 12.667 25.418 1.00 21.98  ? 13  GLY B O    1 
ATOM   458  H H    . GLY B 1 13 ? 26.323 9.819  25.369 1.00 21.81  ? 13  GLY B H    1 
ATOM   459  H HA2  . GLY B 1 13 ? 28.981 10.116 25.525 1.00 20.56  ? 13  GLY B HA2  1 
ATOM   460  H HA3  . GLY B 1 13 ? 28.110 10.276 24.219 1.00 20.56  ? 13  GLY B HA3  1 
ATOM   461  N N    . LEU B 1 14 ? 29.430 12.547 25.368 1.00 16.54  ? 14  LEU B N    1 
ATOM   462  C CA   . LEU B 1 14 ? 29.626 14.001 25.440 1.00 19.41  ? 14  LEU B CA   1 
ATOM   463  C C    . LEU B 1 14 ? 30.627 14.424 24.371 1.00 17.14  ? 14  LEU B C    1 
ATOM   464  O O    . LEU B 1 14 ? 31.655 13.757 24.184 1.00 17.00  ? 14  LEU B O    1 
ATOM   465  C CB   . LEU B 1 14 ? 30.160 14.460 26.808 1.00 20.45  ? 14  LEU B CB   1 
ATOM   466  C CG   . LEU B 1 14 ? 29.320 14.467 28.095 1.00 23.70  ? 14  LEU B CG   1 
ATOM   467  C CD1  . LEU B 1 14 ? 27.948 15.114 27.894 1.00 25.06  ? 14  LEU B CD1  1 
ATOM   468  C CD2  . LEU B 1 14 ? 29.201 13.064 28.648 1.00 20.86  ? 14  LEU B CD2  1 
ATOM   469  H H    . LEU B 1 14 ? 30.163 12.097 25.366 1.00 19.75  ? 14  LEU B H    1 
ATOM   470  H HA   . LEU B 1 14 ? 28.784 14.450 25.270 1.00 23.31  ? 14  LEU B HA   1 
ATOM   471  H HB2  . LEU B 1 14 ? 30.932 13.906 27.003 1.00 24.57  ? 14  LEU B HB2  1 
ATOM   472  H HB3  . LEU B 1 14 ? 30.467 15.373 26.692 1.00 24.57  ? 14  LEU B HB3  1 
ATOM   473  H HG   . LEU B 1 14 ? 29.790 14.996 28.758 1.00 28.46  ? 14  LEU B HG   1 
ATOM   474  H HD11 . LEU B 1 14 ? 27.462 15.092 28.734 1.00 30.09  ? 14  LEU B HD11 1 
ATOM   475  H HD12 . LEU B 1 14 ? 28.071 16.032 27.607 1.00 30.09  ? 14  LEU B HD12 1 
ATOM   476  H HD13 . LEU B 1 14 ? 27.461 14.618 27.217 1.00 30.09  ? 14  LEU B HD13 1 
ATOM   477  H HD21 . LEU B 1 14 ? 28.669 13.089 29.458 1.00 25.06  ? 14  LEU B HD21 1 
ATOM   478  H HD22 . LEU B 1 14 ? 28.771 12.500 27.986 1.00 25.06  ? 14  LEU B HD22 1 
ATOM   479  H HD23 . LEU B 1 14 ? 30.089 12.727 28.845 1.00 25.06  ? 14  LEU B HD23 1 
HETATM 480  N N    . ORN B 1 15 ? 30.346 15.545 23.703 1.00 17.80  ? 15  ORN B N    1 
HETATM 481  C CA   . ORN B 1 15 ? 31.207 16.075 22.862 1.00 21.97  ? 15  ORN B CA   1 
HETATM 482  C CB   . ORN B 1 15 ? 30.477 16.768 21.723 1.00 19.41  ? 15  ORN B CB   1 
HETATM 483  C CG   . ORN B 1 15 ? 31.366 17.776 21.004 1.00 32.62  ? 15  ORN B CG   1 
HETATM 484  C CD   . ORN B 1 15 ? 30.635 18.434 19.843 1.00 38.25  ? 15  ORN B CD   1 
HETATM 485  N NE   . ORN B 1 15 ? 29.705 19.385 20.362 1.00 48.24  ? 15  ORN B NE   1 
HETATM 486  C C    . ORN B 1 15 ? 32.138 16.874 23.446 1.00 28.20  ? 15  ORN B C    1 
HETATM 487  O O    . ORN B 1 15 ? 31.709 17.829 24.081 1.00 22.89  ? 15  ORN B O    1 
HETATM 488  H H    . ORN B 1 15 ? 29.548 15.976 23.810 1.00 21.26  ? 15  ORN B H    1 
HETATM 489  H HA   . ORN B 1 15 ? 31.666 15.370 22.357 1.00 26.38  ? 15  ORN B HA   1 
HETATM 490  H HB2  . ORN B 1 15 ? 29.682 17.219 22.071 1.00 23.31  ? 15  ORN B HB2  1 
HETATM 491  H HB3  . ORN B 1 15 ? 30.200 16.090 21.075 1.00 23.31  ? 15  ORN B HB3  1 
HETATM 492  H HG2  . ORN B 1 15 ? 32.153 17.310 20.658 1.00 39.16  ? 15  ORN B HG2  1 
HETATM 493  H HG3  . ORN B 1 15 ? 31.654 18.464 21.637 1.00 39.16  ? 15  ORN B HG3  1 
HETATM 494  H HD2  . ORN B 1 15 ? 30.160 17.752 19.324 1.00 45.92  ? 15  ORN B HD2  1 
HETATM 495  H HD3  . ORN B 1 15 ? 31.282 18.893 19.268 1.00 45.92  ? 15  ORN B HD3  1 
HETATM 496  H HE1  . ORN B 1 15 ? 29.096 18.956 20.899 1.00 57.90  ? 15  ORN B HE1  1 
HETATM 497  H HE2  . ORN B 1 15 ? 30.154 20.017 20.853 1.00 57.90  ? 15  ORN B HE2  1 
HETATM 498  H HN3  . ORN B 1 15 ? 29.265 19.793 19.667 1.00 57.90  ? 15  ORN B HN3  1 
ATOM   499  N N    . VAL B 1 16 ? 33.440 16.654 23.296 1.00 20.41  ? 16  VAL B N    1 
ATOM   500  C CA   . VAL B 1 16 ? 34.472 17.518 23.862 1.00 28.23  ? 16  VAL B CA   1 
ATOM   501  C C    . VAL B 1 16 ? 35.356 17.957 22.709 1.00 28.11  ? 16  VAL B C    1 
ATOM   502  O O    . VAL B 1 16 ? 36.342 17.295 22.388 1.00 20.67  ? 16  VAL B O    1 
ATOM   503  C CB   . VAL B 1 16 ? 35.294 16.821 24.957 1.00 24.94  ? 16  VAL B CB   1 
ATOM   504  C CG1  . VAL B 1 16 ? 36.360 17.757 25.516 1.00 32.68  ? 16  VAL B CG1  1 
ATOM   505  C CG2  . VAL B 1 16 ? 34.391 16.351 26.072 1.00 26.40  ? 16  VAL B CG2  1 
ATOM   506  H H    . VAL B 1 16 ? 33.718 16.040 22.895 1.00 24.51  ? 16  VAL B H    1 
ATOM   507  H HA   . VAL B 1 16 ? 34.057 18.305 24.246 1.00 33.89  ? 16  VAL B HA   1 
ATOM   508  H HB   . VAL B 1 16 ? 35.738 16.046 24.579 1.00 29.95  ? 16  VAL B HB   1 
ATOM   509  H HG11 . VAL B 1 16 ? 36.861 17.290 26.203 1.00 39.24  ? 16  VAL B HG11 1 
ATOM   510  H HG12 . VAL B 1 16 ? 36.954 18.024 24.797 1.00 39.24  ? 16  VAL B HG12 1 
ATOM   511  H HG13 . VAL B 1 16 ? 35.927 18.538 25.895 1.00 39.24  ? 16  VAL B HG13 1 
ATOM   512  H HG21 . VAL B 1 16 ? 34.929 15.915 26.751 1.00 31.70  ? 16  VAL B HG21 1 
ATOM   513  H HG22 . VAL B 1 16 ? 33.935 17.118 26.452 1.00 31.70  ? 16  VAL B HG22 1 
ATOM   514  H HG23 . VAL B 1 16 ? 33.743 15.726 25.711 1.00 31.70  ? 16  VAL B HG23 1 
HETATM 515  N N    . ORN C 1 1  ? 48.890 3.009  27.054 1.00 35.56  ? 1   ORN C N    1 
HETATM 516  C CA   . ORN C 1 1  ? 48.175 4.179  26.532 1.00 26.65  ? 1   ORN C CA   1 
HETATM 517  C CB   . ORN C 1 1  ? 48.708 4.537  25.153 1.00 37.21  ? 1   ORN C CB   1 
HETATM 518  C CG   . ORN C 1 1  ? 50.112 5.156  25.192 1.00 33.63  ? 1   ORN C CG   1 
HETATM 519  C CD   . ORN C 1 1  ? 50.079 6.674  25.411 1.00 59.33  ? 1   ORN C CD   1 
HETATM 520  N NE   . ORN C 1 1  ? 49.446 7.353  24.300 1.00 32.79  ? 1   ORN C NE   1 
HETATM 521  C C    . ORN C 1 1  ? 46.655 3.933  26.430 1.00 27.93  ? 1   ORN C C    1 
HETATM 522  O O    . ORN C 1 1  ? 46.156 2.818  26.620 1.00 27.06  ? 1   ORN C O    1 
HETATM 523  H H1   . ORN C 1 1  ? 48.432 2.583  27.863 1.00 42.70  ? 1   ORN C H1   1 
HETATM 524  H H2   . ORN C 1 1  ? 48.986 2.256  26.369 1.00 42.70  ? 1   ORN C H2   1 
HETATM 525  H H3   . ORN C 1 1  ? 49.843 3.221  27.361 1.00 42.70  ? 1   ORN C H3   1 
HETATM 526  H HA   . ORN C 1 1  ? 48.332 4.977  27.264 1.00 32.00  ? 1   ORN C HA   1 
HETATM 527  H HB2  . ORN C 1 1  ? 48.733 3.642  24.515 1.00 44.67  ? 1   ORN C HB2  1 
HETATM 528  H HB3  . ORN C 1 1  ? 48.037 5.293  24.723 1.00 44.67  ? 1   ORN C HB3  1 
HETATM 529  H HG2  . ORN C 1 1  ? 50.616 4.951  24.241 1.00 40.37  ? 1   ORN C HG2  1 
HETATM 530  H HG3  . ORN C 1 1  ? 50.686 4.690  26.001 1.00 40.37  ? 1   ORN C HG3  1 
HETATM 531  H HD2  . ORN C 1 1  ? 51.107 7.036  25.495 1.00 71.21  ? 1   ORN C HD2  1 
HETATM 532  H HD3  . ORN C 1 1  ? 49.517 6.887  26.325 1.00 71.21  ? 1   ORN C HD3  1 
HETATM 533  H HE1  . ORN C 1 1  ? 50.044 7.543  23.498 1.00 39.36  ? 1   ORN C HE1  1 
ATOM   534  N N    . CYS C 1 2  ? 45.920 5.041  26.087 1.00 26.21  ? 2   CYS C N    1 
ATOM   535  C CA   . CYS C 1 2  ? 44.472 5.008  25.929 1.00 25.15  ? 2   CYS C CA   1 
ATOM   536  C C    . CYS C 1 2  ? 44.059 5.338  24.493 1.00 26.41  ? 2   CYS C C    1 
ATOM   537  O O    . CYS C 1 2  ? 44.827 5.936  23.737 1.00 32.49  ? 2   CYS C O    1 
ATOM   538  C CB   . CYS C 1 2  ? 43.807 5.993  26.894 1.00 21.42  ? 2   CYS C CB   1 
ATOM   539  S SG   . CYS C 1 2  ? 44.249 5.780  28.624 1.00 25.34  ? 2   CYS C SG   1 
ATOM   540  H H    . CYS C 1 2  ? 46.262 5.817  25.947 1.00 31.48  ? 2   CYS C H    1 
ATOM   541  H HA   . CYS C 1 2  ? 44.150 4.117  26.139 1.00 30.20  ? 2   CYS C HA   1 
ATOM   542  H HB2  . CYS C 1 2  ? 44.058 6.894  26.637 1.00 25.73  ? 2   CYS C HB2  1 
ATOM   543  H HB3  . CYS C 1 2  ? 42.845 5.892  26.824 1.00 25.73  ? 2   CYS C HB3  1 
ATOM   544  N N    . VAL C 1 3  ? 42.833 4.962  24.135 1.00 24.92  ? 3   VAL C N    1 
ATOM   545  C CA   . VAL C 1 3  ? 42.281 5.181  22.798 1.00 21.59  ? 3   VAL C CA   1 
ATOM   546  C C    . VAL C 1 3  ? 41.032 6.043  22.941 1.00 22.20  ? 3   VAL C C    1 
ATOM   547  O O    . VAL C 1 3  ? 40.100 5.672  23.655 1.00 19.64  ? 3   VAL C O    1 
ATOM   548  C CB   . VAL C 1 3  ? 41.942 3.853  22.100 1.00 26.93  ? 3   VAL C CB   1 
ATOM   549  C CG1  . VAL C 1 3  ? 41.224 4.102  20.775 1.00 38.53  ? 3   VAL C CG1  1 
ATOM   550  C CG2  . VAL C 1 3  ? 43.225 3.030  21.874 1.00 24.10  ? 3   VAL C CG2  1 
ATOM   551  H H    . VAL C 1 3  ? 42.285 4.566  24.666 1.00 29.92  ? 3   VAL C H    1 
ATOM   552  H HA   . VAL C 1 3  ? 42.926 5.660  22.255 1.00 25.93  ? 3   VAL C HA   1 
ATOM   553  H HB   . VAL C 1 3  ? 41.351 3.338  22.670 1.00 32.33  ? 3   VAL C HB   1 
ATOM   554  H HG11 . VAL C 1 3  ? 41.024 3.248  20.360 1.00 46.25  ? 3   VAL C HG11 1 
ATOM   555  H HG12 . VAL C 1 3  ? 40.402 4.586  20.948 1.00 46.25  ? 3   VAL C HG12 1 
ATOM   556  H HG13 . VAL C 1 3  ? 41.801 4.624  20.197 1.00 46.25  ? 3   VAL C HG13 1 
ATOM   557  H HG21 . VAL C 1 3  ? 42.992 2.198  21.433 1.00 28.94  ? 3   VAL C HG21 1 
ATOM   558  H HG22 . VAL C 1 3  ? 43.834 3.540  21.317 1.00 28.94  ? 3   VAL C HG22 1 
ATOM   559  H HG23 . VAL C 1 3  ? 43.637 2.846  22.732 1.00 28.94  ? 3   VAL C HG23 1 
ATOM   560  N N    . PHE C 1 4  ? 41.005 7.168  22.238 1.00 19.78  ? 4   PHE C N    1 
ATOM   561  C CA   . PHE C 1 4  ? 39.864 8.072  22.313 1.00 19.95  ? 4   PHE C CA   1 
ATOM   562  C C    . PHE C 1 4  ? 39.230 8.233  20.926 1.00 16.96  ? 4   PHE C C    1 
ATOM   563  O O    . PHE C 1 4  ? 39.944 8.217  19.925 1.00 20.89  ? 4   PHE C O    1 
ATOM   564  C CB   . PHE C 1 4  ? 40.300 9.429  22.862 1.00 21.80  ? 4   PHE C CB   1 
ATOM   565  C CG   . PHE C 1 4  ? 40.863 9.368  24.252 1.00 18.29  ? 4   PHE C CG   1 
ATOM   566  C CD1  . PHE C 1 4  ? 40.020 9.282  25.356 1.00 21.41  ? 4   PHE C CD1  1 
ATOM   567  C CD2  . PHE C 1 4  ? 42.233 9.408  24.460 1.00 19.59  ? 4   PHE C CD2  1 
ATOM   568  C CE1  . PHE C 1 4  ? 40.542 9.225  26.647 1.00 26.75  ? 4   PHE C CE1  1 
ATOM   569  C CE2  . PHE C 1 4  ? 42.761 9.358  25.744 1.00 28.36  ? 4   PHE C CE2  1 
ATOM   570  C CZ   . PHE C 1 4  ? 41.913 9.263  26.838 1.00 30.03  ? 4   PHE C CZ   1 
ATOM   571  H H    . PHE C 1 4  ? 41.632 7.432  21.712 1.00 23.75  ? 4   PHE C H    1 
ATOM   572  H HA   . PHE C 1 4  ? 39.198 7.699  22.912 1.00 23.96  ? 4   PHE C HA   1 
ATOM   573  H HB2  . PHE C 1 4  ? 40.985 9.796  22.281 1.00 26.18  ? 4   PHE C HB2  1 
ATOM   574  H HB3  . PHE C 1 4  ? 39.532 10.021 22.879 1.00 26.18  ? 4   PHE C HB3  1 
ATOM   575  H HD1  . PHE C 1 4  ? 39.099 9.253  25.230 1.00 25.72  ? 4   PHE C HD1  1 
ATOM   576  H HD2  . PHE C 1 4  ? 42.806 9.469  23.730 1.00 23.53  ? 4   PHE C HD2  1 
ATOM   577  H HE1  . PHE C 1 4  ? 39.971 9.165  27.379 1.00 32.12  ? 4   PHE C HE1  1 
ATOM   578  H HE2  . PHE C 1 4  ? 43.682 9.382  25.869 1.00 34.05  ? 4   PHE C HE2  1 
ATOM   579  H HZ   . PHE C 1 4  ? 42.265 9.229  27.698 1.00 36.06  ? 4   PHE C HZ   1 
HETATM 580  C C1   . MEA C 1 5  ? 37.117 8.915  21.906 1.00 20.55  ? 5   MEA C C1   1 
HETATM 581  N N    . MEA C 1 5  ? 37.909 8.382  20.851 1.00 20.24  ? 5   MEA C N    1 
HETATM 582  C CA   . MEA C 1 5  ? 37.288 8.501  19.540 1.00 21.35  ? 5   MEA C CA   1 
HETATM 583  C C    . MEA C 1 5  ? 37.115 10.000 19.203 1.00 17.53  ? 5   MEA C C    1 
HETATM 584  O O    . MEA C 1 5  ? 36.249 10.698 19.779 1.00 18.54  ? 5   MEA C O    1 
HETATM 585  C CB   . MEA C 1 5  ? 36.009 7.774  19.453 1.00 26.11  ? 5   MEA C CB   1 
HETATM 586  C CG   . MEA C 1 5  ? 36.302 6.327  19.893 1.00 34.36  ? 5   MEA C CG   1 
HETATM 587  C CD1  . MEA C 1 5  ? 35.686 5.775  21.011 1.00 75.20  ? 5   MEA C CD1  1 
HETATM 588  C CE1  . MEA C 1 5  ? 35.973 4.463  21.383 1.00 71.24  ? 5   MEA C CE1  1 
HETATM 589  C CZ   . MEA C 1 5  ? 36.881 3.706  20.636 1.00 59.89  ? 5   MEA C CZ   1 
HETATM 590  C CE2  . MEA C 1 5  ? 37.507 4.257  19.512 1.00 36.70  ? 5   MEA C CE2  1 
HETATM 591  C CD2  . MEA C 1 5  ? 37.219 5.554  19.140 1.00 34.77  ? 5   MEA C CD2  1 
HETATM 592  H HC1  . MEA C 1 5  ? 36.157 8.719  21.731 1.00 24.68  ? 5   MEA C HC1  1 
HETATM 593  H HC2  . MEA C 1 5  ? 37.249 9.889  21.953 1.00 24.68  ? 5   MEA C HC2  1 
HETATM 594  H HC3  . MEA C 1 5  ? 37.389 8.499  22.771 1.00 24.68  ? 5   MEA C HC3  1 
HETATM 595  H HA   . MEA C 1 5  ? 37.906 8.109  18.874 1.00 25.64  ? 5   MEA C HA   1 
HETATM 596  H HB1  . MEA C 1 5  ? 35.691 7.781  18.521 1.00 31.36  ? 5   MEA C HB1  1 
HETATM 597  H HB2  . MEA C 1 5  ? 35.333 8.185  20.044 1.00 31.36  ? 5   MEA C HB2  1 
HETATM 598  H HD1  . MEA C 1 5  ? 35.056 6.301  21.530 1.00 90.26  ? 5   MEA C HD1  1 
HETATM 599  H HE1  . MEA C 1 5  ? 35.539 4.068  22.175 1.00 85.50  ? 5   MEA C HE1  1 
HETATM 600  H HZ   . MEA C 1 5  ? 37.083 2.772  20.906 1.00 71.89  ? 5   MEA C HZ   1 
HETATM 601  H HE2  . MEA C 1 5  ? 38.130 3.732  18.998 1.00 44.06  ? 5   MEA C HE2  1 
HETATM 602  H HD2  . MEA C 1 5  ? 37.754 5.741  18.341 1.00 41.74  ? 5   MEA C HD2  1 
ATOM   603  N N    . CYS C 1 6  ? 37.956 10.466 18.280 1.00 19.10  ? 6   CYS C N    1 
ATOM   604  C CA   . CYS C 1 6  ? 38.089 11.884 17.965 1.00 19.11  ? 6   CYS C CA   1 
ATOM   605  C C    . CYS C 1 6  ? 38.070 12.144 16.474 1.00 20.62  ? 6   CYS C C    1 
ATOM   606  O O    . CYS C 1 6  ? 38.602 11.355 15.690 1.00 21.26  ? 6   CYS C O    1 
ATOM   607  C CB   . CYS C 1 6  ? 39.397 12.443 18.529 1.00 23.59  ? 6   CYS C CB   1 
ATOM   608  S SG   . CYS C 1 6  ? 39.647 12.062 20.253 1.00 19.63  ? 6   CYS C SG   1 
ATOM   609  H H    . CYS C 1 6  ? 38.474 9.964  17.812 1.00 22.94  ? 6   CYS C H    1 
ATOM   610  H HA   . CYS C 1 6  ? 37.353 12.371 18.367 1.00 22.83  ? 6   CYS C HA   1 
ATOM   611  H HB2  . CYS C 1 6  ? 40.140 12.067 18.031 1.00 28.33  ? 6   CYS C HB2  1 
ATOM   612  H HB3  . CYS C 1 6  ? 39.392 13.408 18.435 1.00 28.33  ? 6   CYS C HB3  1 
ATOM   613  N N    . GLU C 1 7  ? 37.496 13.283 16.093 1.00 21.39  ? 7   GLU C N    1 
ATOM   614  C CA   . GLU C 1 7  ? 37.441 13.664 14.693 1.00 23.31  ? 7   GLU C CA   1 
ATOM   615  C C    . GLU C 1 7  ? 38.809 14.155 14.248 1.00 25.29  ? 7   GLU C C    1 
ATOM   616  O O    . GLU C 1 7  ? 39.417 15.009 14.898 1.00 27.50  ? 7   GLU C O    1 
ATOM   617  C CB   . GLU C 1 7  ? 36.388 14.750 14.455 1.00 30.69  ? 7   GLU C CB   1 
ATOM   618  C CG   . GLU C 1 7  ? 36.060 14.946 12.973 1.00 36.51  ? 7   GLU C CG   1 
ATOM   619  C CD   . GLU C 1 7  ? 34.905 15.906 12.730 1.00 34.92  ? 7   GLU C CD   1 
ATOM   620  O OE1  . GLU C 1 7  ? 34.724 16.842 13.534 1.00 37.17  ? 7   GLU C OE1  1 
ATOM   621  O OE2  . GLU C 1 7  ? 34.180 15.722 11.729 1.00 36.86  ? 7   GLU C OE2  1 
ATOM   622  H H    . GLU C 1 7  ? 37.132 13.850 16.628 1.00 25.58  ? 7   GLU C H    1 
ATOM   623  H HA   . GLU C 1 7  ? 37.207 12.889 14.159 1.00 27.88  ? 7   GLU C HA   1 
ATOM   624  H HB2  . GLU C 1 7  ? 35.570 14.501 14.913 1.00 36.85  ? 7   GLU C HB2  1 
ATOM   625  H HB3  . GLU C 1 7  ? 36.720 15.592 14.803 1.00 36.85  ? 7   GLU C HB3  1 
ATOM   626  H HG2  . GLU C 1 7  ? 36.842 15.301 12.523 1.00 43.83  ? 7   GLU C HG2  1 
ATOM   627  H HG3  . GLU C 1 7  ? 35.819 14.088 12.589 1.00 43.83  ? 7   GLU C HG3  1 
ATOM   628  N N    . ASP C 1 8  ? 39.292 13.598 13.147 1.00 28.93  ? 8   ASP C N    1 
ATOM   629  C CA   . ASP C 1 8  ? 40.544 14.017 12.543 1.00 34.49  ? 8   ASP C CA   1 
ATOM   630  C C    . ASP C 1 8  ? 40.282 14.380 11.085 1.00 36.24  ? 8   ASP C C    1 
ATOM   631  O O    . ASP C 1 8  ? 40.131 13.499 10.242 1.00 36.97  ? 8   ASP C O    1 
ATOM   632  C CB   . ASP C 1 8  ? 41.594 12.908 12.647 1.00 37.75  ? 8   ASP C CB   1 
ATOM   633  C CG   . ASP C 1 8  ? 42.897 13.272 11.956 1.00 59.74  ? 8   ASP C CG   1 
ATOM   634  O OD1  . ASP C 1 8  ? 43.030 14.423 11.486 1.00 64.01  ? 8   ASP C OD1  1 
ATOM   635  O OD2  . ASP C 1 8  ? 43.789 12.405 11.879 1.00 54.33  ? 8   ASP C OD2  1 
ATOM   636  H H    . ASP C 1 8  ? 38.902 12.961 12.721 1.00 34.73  ? 8   ASP C H    1 
ATOM   637  H HA   . ASP C 1 8  ? 40.879 14.803 13.002 1.00 41.41  ? 8   ASP C HA   1 
ATOM   638  H HB2  . ASP C 1 8  ? 41.786 12.741 13.582 1.00 45.32  ? 8   ASP C HB2  1 
ATOM   639  H HB3  . ASP C 1 8  ? 41.247 12.104 12.229 1.00 45.32  ? 8   ASP C HB3  1 
HETATM 640  N N    . ORN C 1 9  ? 36.807 15.132 7.158  1.00 75.80  ? 9   ORN C N    1 
HETATM 641  C CA   . ORN C 1 9  ? 37.414 14.527 8.375  1.00 64.86  ? 9   ORN C CA   1 
HETATM 642  C CB   . ORN C 1 9  ? 37.475 15.560 9.513  1.00 56.32  ? 9   ORN C CB   1 
HETATM 643  C CG   . ORN C 1 9  ? 38.505 16.681 9.282  1.00 68.10  ? 9   ORN C CG   1 
HETATM 644  C CD   . ORN C 1 9  ? 39.964 16.196 9.440  1.00 61.46  ? 9   ORN C CD   1 
HETATM 645  N NE   . ORN C 1 9  ? 40.216 15.723 10.791 1.00 51.02  ? 9   ORN C NE   1 
HETATM 646  C C    . ORN C 1 9  ? 36.615 13.280 8.836  1.00 54.83  ? 9   ORN C C    1 
HETATM 647  O O    . ORN C 1 9  ? 35.453 13.070 8.472  1.00 54.07  ? 9   ORN C O    1 
HETATM 648  H H2   . ORN C 1 9  ? 37.430 15.787 6.678  1.00 90.97  ? 9   ORN C H2   1 
HETATM 649  H H    . ORN C 1 9  ? 35.954 15.663 7.352  1.00 90.97  ? 9   ORN C H    1 
HETATM 650  H H3   . ORN C 1 9  ? 36.543 14.441 6.451  1.00 90.97  ? 9   ORN C H3   1 
HETATM 651  H HA   . ORN C 1 9  ? 38.407 14.185 8.069  1.00 77.85  ? 9   ORN C HA   1 
HETATM 652  H HB2  . ORN C 1 9  ? 37.746 15.047 10.447 1.00 67.60  ? 9   ORN C HB2  1 
HETATM 653  H HB3  . ORN C 1 9  ? 36.485 16.028 9.609  1.00 67.60  ? 9   ORN C HB3  1 
HETATM 654  H HG2  . ORN C 1 9  ? 38.369 17.083 8.272  1.00 81.73  ? 9   ORN C HG2  1 
HETATM 655  H HG3  . ORN C 1 9  ? 38.323 17.481 10.008 1.00 81.73  ? 9   ORN C HG3  1 
HETATM 656  H HD2  . ORN C 1 9  ? 40.145 15.378 8.736  1.00 73.77  ? 9   ORN C HD2  1 
HETATM 657  H HD3  . ORN C 1 9  ? 40.635 17.037 9.237  1.00 73.77  ? 9   ORN C HD3  1 
HETATM 658  H HE1  . ORN C 1 9  ? 40.337 16.446 11.498 1.00 61.25  ? 9   ORN C HE1  1 
ATOM   659  N N    . ALA C 1 10 ? 37.294 12.431 9.672  1.00 46.67  ? 10  ALA C N    1 
ATOM   660  C CA   . ALA C 1 10 ? 36.683 11.219 10.188 1.00 33.06  ? 10  ALA C CA   1 
ATOM   661  C C    . ALA C 1 10 ? 36.992 11.016 11.672 1.00 27.87  ? 10  ALA C C    1 
ATOM   662  O O    . ALA C 1 10 ? 38.017 11.494 12.180 1.00 27.96  ? 10  ALA C O    1 
ATOM   663  C CB   . ALA C 1 10 ? 37.150 10.028 9.395  1.00 34.32  ? 10  ALA C CB   1 
ATOM   664  H H    . ALA C 1 10 ? 38.103 12.555 9.938  1.00 56.02  ? 10  ALA C H    1 
ATOM   665  H HA   . ALA C 1 10 ? 35.720 11.286 10.089 1.00 39.70  ? 10  ALA C HA   1 
ATOM   666  H HB1  . ALA C 1 10 ? 36.733 9.228  9.752  1.00 41.20  ? 10  ALA C HB1  1 
ATOM   667  H HB2  . ALA C 1 10 ? 36.896 10.148 8.466  1.00 41.20  ? 10  ALA C HB2  1 
ATOM   668  H HB3  . ALA C 1 10 ? 38.115 9.959  9.468  1.00 41.20  ? 10  ALA C HB3  1 
HETATM 669  N N    . CHG C 1 11 ? 36.067 10.316 12.334 1.00 27.99  ? 11  CHG C N    1 
HETATM 670  C CA   . CHG C 1 11 ? 36.161 9.917  13.536 1.00 23.04  ? 11  CHG C CA   1 
HETATM 671  C C    . CHG C 1 11 ? 36.831 8.780  13.660 1.00 24.99  ? 11  CHG C C    1 
HETATM 672  O O    . CHG C 1 11 ? 36.376 7.783  13.187 1.00 24.22  ? 11  CHG C O    1 
HETATM 673  C C1   . CHG C 1 11 ? 34.872 9.956  14.378 1.00 21.92  ? 11  CHG C C1   1 
HETATM 674  C C2   . CHG C 1 11 ? 35.093 9.684  15.868 1.00 22.01  ? 11  CHG C C2   1 
HETATM 675  C C3   . CHG C 1 11 ? 33.730 9.565  16.558 1.00 27.19  ? 11  CHG C C3   1 
HETATM 676  C C4   . CHG C 1 11 ? 32.962 10.870 16.398 1.00 44.49  ? 11  CHG C C4   1 
HETATM 677  C C5   . CHG C 1 11 ? 32.828 11.301 14.934 1.00 39.24  ? 11  CHG C C5   1 
HETATM 678  C C6   . CHG C 1 11 ? 34.185 11.318 14.231 1.00 25.37  ? 11  CHG C C6   1 
HETATM 679  H H2   . CHG C 1 11 ? 35.592 10.418 16.261 1.00 26.44  ? 11  CHG C H2   1 
HETATM 680  H HN   . CHG C 1 11 ? 35.335 10.104 11.936 1.00 33.61  ? 11  CHG C HN   1 
HETATM 681  H HA   . CHG C 1 11 ? 36.655 10.600 14.017 1.00 27.55  ? 11  CHG C HA   1 
HETATM 682  H H1   . CHG C 1 11 ? 34.268 9.278  14.039 1.00 26.32  ? 11  CHG C H1   1 
HETATM 683  H H2A  . CHG C 1 11 ? 35.585 8.856  15.977 1.00 26.44  ? 11  CHG C H2A  1 
HETATM 684  H H3   . CHG C 1 11 ? 33.862 9.382  17.501 1.00 32.64  ? 11  CHG C H3   1 
HETATM 685  H H3A  . CHG C 1 11 ? 33.226 8.843  16.151 1.00 32.64  ? 11  CHG C H3A  1 
HETATM 686  H H4   . CHG C 1 11 ? 33.427 11.567 16.886 1.00 53.41  ? 11  CHG C H4   1 
HETATM 687  H H4A  . CHG C 1 11 ? 32.075 10.757 16.772 1.00 53.41  ? 11  CHG C H4A  1 
HETATM 688  H H5   . CHG C 1 11 ? 32.444 12.191 14.901 1.00 47.10  ? 11  CHG C H5   1 
HETATM 689  H H5A  . CHG C 1 11 ? 32.242 10.680 14.474 1.00 47.10  ? 11  CHG C H5A  1 
HETATM 690  H H6   . CHG C 1 11 ? 34.744 12.004 14.631 1.00 30.46  ? 11  CHG C H6   1 
HETATM 691  H H6A  . CHG C 1 11 ? 34.055 11.512 13.289 1.00 30.46  ? 11  CHG C H6A  1 
ATOM   692  N N    . ILE C 1 12 ? 37.962 8.802  14.359 1.00 22.19  ? 12  ILE C N    1 
ATOM   693  C CA   . ILE C 1 12 ? 38.854 7.636  14.429 1.00 22.57  ? 12  ILE C CA   1 
ATOM   694  C C    . ILE C 1 12 ? 39.311 7.354  15.861 1.00 21.05  ? 12  ILE C C    1 
ATOM   695  O O    . ILE C 1 12 ? 39.074 8.148  16.774 1.00 19.50  ? 12  ILE C O    1 
ATOM   696  C CB   . ILE C 1 12 ? 40.080 7.824  13.504 1.00 24.99  ? 12  ILE C CB   1 
ATOM   697  C CG1  . ILE C 1 12 ? 40.739 9.193  13.717 1.00 33.89  ? 12  ILE C CG1  1 
ATOM   698  C CG2  . ILE C 1 12 ? 39.672 7.703  12.054 1.00 27.59  ? 12  ILE C CG2  1 
ATOM   699  C CD1  . ILE C 1 12 ? 41.588 9.311  14.950 1.00 59.67  ? 12  ILE C CD1  1 
ATOM   700  H H    . ILE C 1 12 ? 38.242 9.482  14.806 1.00 26.53  ? 12  ILE C H    1 
ATOM   701  H HA   . ILE C 1 12 ? 38.369 6.856  14.118 1.00 26.98  ? 12  ILE C HA   1 
ATOM   702  H HB   . ILE C 1 12 ? 40.730 7.132  13.703 1.00 29.89  ? 12  ILE C HB   1 
ATOM   703  H HG12 . ILE C 1 12 ? 41.306 9.384  12.954 1.00 40.68  ? 12  ILE C HG12 1 
ATOM   704  H HG13 . ILE C 1 12 ? 40.041 9.864  13.779 1.00 40.68  ? 12  ILE C HG13 1 
ATOM   705  H HG21 . ILE C 1 12 ? 40.455 7.825  11.495 1.00 33.01  ? 12  ILE C HG21 1 
ATOM   706  H HG22 . ILE C 1 12 ? 39.292 6.823  11.906 1.00 33.01  ? 12  ILE C HG22 1 
ATOM   707  H HG23 . ILE C 1 12 ? 39.013 8.386  11.854 1.00 33.01  ? 12  ILE C HG23 1 
ATOM   708  H HD11 . ILE C 1 12 ? 41.956 10.207 14.994 1.00 71.62  ? 12  ILE C HD11 1 
ATOM   709  H HD12 . ILE C 1 12 ? 41.037 9.140  15.729 1.00 71.62  ? 12  ILE C HD12 1 
ATOM   710  H HD13 . ILE C 1 12 ? 42.305 8.659  14.902 1.00 71.62  ? 12  ILE C HD13 1 
ATOM   711  N N    . GLY C 1 13 ? 39.972 6.220  16.059 1.00 21.08  ? 13  GLY C N    1 
ATOM   712  C CA   . GLY C 1 13 ? 40.528 5.912  17.365 1.00 19.92  ? 13  GLY C CA   1 
ATOM   713  C C    . GLY C 1 13 ? 41.907 6.508  17.559 1.00 20.63  ? 13  GLY C C    1 
ATOM   714  O O    . GLY C 1 13 ? 42.884 5.991  17.016 1.00 22.34  ? 13  GLY C O    1 
ATOM   715  H H    . GLY C 1 13 ? 40.111 5.619  15.459 1.00 25.20  ? 13  GLY C H    1 
ATOM   716  H HA2  . GLY C 1 13 ? 39.942 6.260  18.055 1.00 23.80  ? 13  GLY C HA2  1 
ATOM   717  H HA3  . GLY C 1 13 ? 40.591 4.950  17.471 1.00 23.80  ? 13  GLY C HA3  1 
ATOM   718  N N    . LEU C 1 14 ? 42.011 7.588  18.328 1.00 23.01  ? 14  LEU C N    1 
ATOM   719  C CA   A LEU C 1 14 ? 43.294 8.250  18.546 0.52 21.92  ? 14  LEU C CA   1 
ATOM   720  C CA   B LEU C 1 14 ? 43.300 8.249  18.547 0.48 22.04  ? 14  LEU C CA   1 
ATOM   721  C C    . LEU C 1 14 ? 44.059 7.596  19.694 1.00 26.07  ? 14  LEU C C    1 
ATOM   722  O O    . LEU C 1 14 ? 43.508 7.391  20.766 1.00 20.43  ? 14  LEU C O    1 
ATOM   723  C CB   A LEU C 1 14 ? 43.068 9.739  18.830 0.52 37.91  ? 14  LEU C CB   1 
ATOM   724  C CB   B LEU C 1 14 ? 43.116 9.742  18.847 0.48 35.63  ? 14  LEU C CB   1 
ATOM   725  C CG   A LEU C 1 14 ? 44.202 10.544 19.466 0.52 33.73  ? 14  LEU C CG   1 
ATOM   726  C CG   B LEU C 1 14 ? 42.928 10.723 17.688 0.48 35.26  ? 14  LEU C CG   1 
ATOM   727  C CD1  A LEU C 1 14 ? 45.382 10.660 18.524 0.52 41.01  ? 14  LEU C CD1  1 
ATOM   728  C CD1  B LEU C 1 14 ? 42.894 12.139 18.237 0.48 29.01  ? 14  LEU C CD1  1 
ATOM   729  C CD2  A LEU C 1 14 ? 43.697 11.918 19.869 0.52 27.79  ? 14  LEU C CD2  1 
ATOM   730  C CD2  B LEU C 1 14 ? 44.027 10.596 16.651 0.48 33.74  ? 14  LEU C CD2  1 
ATOM   731  H H    . LEU C 1 14 ? 41.351 7.960  18.737 1.00 27.63  ? 14  LEU C H    1 
ATOM   732  H HA   . LEU C 1 14 ? 43.835 8.171  17.743 1.00 26.47  ? 14  LEU C HA   1 
ATOM   733  H HB2  A LEU C 1 14 ? 42.856 10.172 17.988 0.52 45.51  ? 14  LEU C HB2  1 
ATOM   734  H HB2  B LEU C 1 14 ? 42.336 9.832  19.416 0.48 42.77  ? 14  LEU C HB2  1 
ATOM   735  H HB3  A LEU C 1 14 ? 42.305 9.815  19.423 0.52 45.51  ? 14  LEU C HB3  1 
ATOM   736  H HB3  B LEU C 1 14 ? 43.897 10.040 19.339 0.48 42.77  ? 14  LEU C HB3  1 
ATOM   737  H HG   A LEU C 1 14 ? 44.502 10.088 20.268 0.52 40.50  ? 14  LEU C HG   1 
ATOM   738  H HG   B LEU C 1 14 ? 42.079 10.546 17.254 0.48 42.33  ? 14  LEU C HG   1 
ATOM   739  H HD11 A LEU C 1 14 ? 46.081 11.174 18.956 0.52 49.23  ? 14  LEU C HD11 1 
ATOM   740  H HD11 B LEU C 1 14 ? 42.775 12.760 17.502 0.48 34.83  ? 14  LEU C HD11 1 
ATOM   741  H HD12 A LEU C 1 14 ? 45.706 9.770  18.314 0.52 49.23  ? 14  LEU C HD12 1 
ATOM   742  H HD12 B LEU C 1 14 ? 42.155 12.218 18.861 0.48 34.83  ? 14  LEU C HD12 1 
ATOM   743  H HD13 A LEU C 1 14 ? 45.095 11.107 17.713 0.52 49.23  ? 14  LEU C HD13 1 
ATOM   744  H HD13 B LEU C 1 14 ? 43.732 12.321 18.692 0.48 34.83  ? 14  LEU C HD13 1 
ATOM   745  H HD21 A LEU C 1 14 ? 44.426 12.417 20.270 0.52 33.37  ? 14  LEU C HD21 1 
ATOM   746  H HD21 B LEU C 1 14 ? 43.866 11.235 15.940 0.48 40.51  ? 14  LEU C HD21 1 
ATOM   747  H HD22 A LEU C 1 14 ? 43.376 12.380 19.079 0.52 33.37  ? 14  LEU C HD22 1 
ATOM   748  H HD22 B LEU C 1 14 ? 44.882 10.779 17.073 0.48 40.51  ? 14  LEU C HD22 1 
ATOM   749  H HD23 A LEU C 1 14 ? 42.975 11.814 20.508 0.52 33.37  ? 14  LEU C HD23 1 
ATOM   750  H HD23 B LEU C 1 14 ? 44.021 9.694  16.294 0.48 40.51  ? 14  LEU C HD23 1 
HETATM 751  N N    . ORN C 1 15 ? 45.334 7.293  19.457 1.00 25.57  ? 15  ORN C N    1 
HETATM 752  C CA   . ORN C 1 15 ? 46.089 6.702  20.350 1.00 35.93  ? 15  ORN C CA   1 
HETATM 753  C CB   . ORN C 1 15 ? 46.912 5.598  19.701 1.00 40.22  ? 15  ORN C CB   1 
HETATM 754  C CG   . ORN C 1 15 ? 46.072 4.618  18.890 1.00 35.51  ? 15  ORN C CG   1 
HETATM 755  C CD   . ORN C 1 15 ? 46.933 3.896  17.864 1.00 49.60  ? 15  ORN C CD   1 
HETATM 756  N NE   . ORN C 1 15 ? 47.895 3.053  18.506 1.00 60.17  ? 15  ORN C NE   1 
HETATM 757  C C    . ORN C 1 15 ? 46.851 7.551  21.079 1.00 33.43  ? 15  ORN C C    1 
HETATM 758  O O    . ORN C 1 15 ? 47.653 8.279  20.517 1.00 30.37  ? 15  ORN C O    1 
HETATM 759  H H    . ORN C 1 15 ? 45.724 7.492  18.655 1.00 30.70  ? 15  ORN C H    1 
HETATM 760  H HA   . ORN C 1 15 ? 45.538 6.163  20.957 1.00 43.14  ? 15  ORN C HA   1 
HETATM 761  H HB2  . ORN C 1 15 ? 47.379 5.100  20.401 1.00 48.28  ? 15  ORN C HB2  1 
HETATM 762  H HB3  . ORN C 1 15 ? 47.577 6.010  19.113 1.00 48.28  ? 15  ORN C HB3  1 
HETATM 763  H HG2  . ORN C 1 15 ? 45.371 5.113  18.421 1.00 42.64  ? 15  ORN C HG2  1 
HETATM 764  H HG3  . ORN C 1 15 ? 45.660 3.966  19.491 1.00 42.64  ? 15  ORN C HG3  1 
HETATM 765  H HD2  . ORN C 1 15 ? 47.400 4.557  17.312 1.00 59.54  ? 15  ORN C HD2  1 
HETATM 766  H HD3  . ORN C 1 15 ? 46.358 3.346  17.292 1.00 59.54  ? 15  ORN C HD3  1 
HETATM 767  H HE1  . ORN C 1 15 ? 48.445 3.564  19.034 1.00 72.22  ? 15  ORN C HE1  1 
HETATM 768  H HE2  . ORN C 1 15 ? 48.396 2.622  17.870 1.00 72.22  ? 15  ORN C HE2  1 
HETATM 769  H HN3  . ORN C 1 15 ? 47.460 2.433  19.025 1.00 72.22  ? 15  ORN C HN3  1 
ATOM   770  N N    . VAL C 1 16 ? 46.716 7.526  22.399 1.00 31.09  ? 16  VAL C N    1 
ATOM   771  C CA   . VAL C 1 16 ? 47.613 8.446  23.095 1.00 34.11  ? 16  VAL C CA   1 
ATOM   772  C C    . VAL C 1 16 ? 48.128 7.743  24.350 1.00 35.27  ? 16  VAL C C    1 
ATOM   773  O O    . VAL C 1 16 ? 47.397 7.507  25.315 1.00 31.40  ? 16  VAL C O    1 
ATOM   774  C CB   . VAL C 1 16 ? 46.928 9.812  23.401 1.00 43.47  ? 16  VAL C CB   1 
ATOM   775  C CG1  . VAL C 1 16 ? 45.420 9.701  23.357 1.00 47.86  ? 16  VAL C CG1  1 
ATOM   776  C CG2  . VAL C 1 16 ? 47.394 10.391 24.730 1.00 49.81  ? 16  VAL C CG2  1 
ATOM   777  H H    . VAL C 1 16 ? 46.215 7.063  22.922 1.00 37.33  ? 16  VAL C H    1 
ATOM   778  H HA   . VAL C 1 16 ? 48.376 8.625  22.524 1.00 40.95  ? 16  VAL C HA   1 
ATOM   779  H HB   . VAL C 1 16 ? 47.188 10.441 22.710 1.00 52.18  ? 16  VAL C HB   1 
ATOM   780  H HG11 . VAL C 1 16 ? 45.034 10.570 23.553 1.00 57.45  ? 16  VAL C HG11 1 
ATOM   781  H HG12 . VAL C 1 16 ? 45.151 9.411  22.472 1.00 57.45  ? 16  VAL C HG12 1 
ATOM   782  H HG13 . VAL C 1 16 ? 45.132 9.054  24.020 1.00 57.45  ? 16  VAL C HG13 1 
ATOM   783  H HG21 . VAL C 1 16 ? 46.945 11.237 24.881 1.00 59.79  ? 16  VAL C HG21 1 
ATOM   784  H HG22 . VAL C 1 16 ? 47.173 9.768  25.440 1.00 59.79  ? 16  VAL C HG22 1 
ATOM   785  H HG23 . VAL C 1 16 ? 48.354 10.527 24.695 1.00 59.79  ? 16  VAL C HG23 1 
HETATM 786  N N    . ORN D 1 1  ? 12.165 0.068  13.504 1.00 27.16  ? 1   ORN D N    1 
HETATM 787  C CA   . ORN D 1 1  ? 12.845 1.392  13.482 1.00 22.41  ? 1   ORN D CA   1 
HETATM 788  C CB   . ORN D 1 1  ? 12.241 2.315  14.544 1.00 31.13  ? 1   ORN D CB   1 
HETATM 789  C CG   . ORN D 1 1  ? 10.820 2.831  14.173 1.00 39.34  ? 1   ORN D CG   1 
HETATM 790  C CD   . ORN D 1 1  ? 10.835 4.073  13.253 1.00 28.70  ? 1   ORN D CD   1 
HETATM 791  N NE   . ORN D 1 1  ? 11.502 5.188  13.897 1.00 25.27  ? 1   ORN D NE   1 
HETATM 792  C C    . ORN D 1 1  ? 14.360 1.218  13.726 1.00 26.16  ? 1   ORN D C    1 
HETATM 793  O O    . ORN D 1 1  ? 14.845 0.123  14.021 1.00 22.55  ? 1   ORN D O    1 
HETATM 794  H H1   . ORN D 1 1  ? 12.051 -0.312 14.447 1.00 32.62  ? 1   ORN D H1   1 
HETATM 795  H H2   . ORN D 1 1  ? 11.223 0.091  13.106 1.00 32.62  ? 1   ORN D H2   1 
HETATM 796  H H3   . ORN D 1 1  ? 12.665 -0.652 12.978 1.00 32.62  ? 1   ORN D H3   1 
HETATM 797  H HA   . ORN D 1 1  ? 12.715 1.778  12.467 1.00 26.80  ? 1   ORN D HA   1 
HETATM 798  H HB2  . ORN D 1 1  ? 12.188 1.794  15.510 1.00 37.38  ? 1   ORN D HB2  1 
HETATM 799  H HB3  . ORN D 1 1  ? 12.890 3.199  14.623 1.00 37.38  ? 1   ORN D HB3  1 
HETATM 800  H HG2  . ORN D 1 1  ? 10.290 3.090  15.096 1.00 47.23  ? 1   ORN D HG2  1 
HETATM 801  H HG3  . ORN D 1 1  ? 10.273 2.024  13.672 1.00 47.23  ? 1   ORN D HG3  1 
HETATM 802  H HD2  . ORN D 1 1  ? 11.365 3.824  12.329 1.00 34.46  ? 1   ORN D HD2  1 
HETATM 803  H HD3  . ORN D 1 1  ? 9.801  4.363  13.041 1.00 34.46  ? 1   ORN D HD3  1 
HETATM 804  H HE1  . ORN D 1 1  ? 10.925 5.756  14.514 1.00 30.34  ? 1   ORN D HE1  1 
ATOM   805  N N    . CYS D 1 2  ? 15.108 2.360  13.584 1.00 22.82  ? 2   CYS D N    1 
ATOM   806  C CA   . CYS D 1 2  ? 16.548 2.384  13.766 1.00 19.49  ? 2   CYS D CA   1 
ATOM   807  C C    . CYS D 1 2  ? 16.937 3.355  14.882 1.00 27.10  ? 2   CYS D C    1 
ATOM   808  O O    . CYS D 1 2  ? 16.207 4.297  15.192 1.00 21.40  ? 2   CYS D O    1 
ATOM   809  C CB   . CYS D 1 2  ? 17.244 2.779  12.454 1.00 21.00  ? 2   CYS D CB   1 
ATOM   810  S SG   . CYS D 1 2  ? 16.750 1.804  10.993 1.00 22.08  ? 2   CYS D SG   1 
ATOM   811  H H    . CYS D 1 2  ? 14.776 3.126  13.374 1.00 27.40  ? 2   CYS D H    1 
ATOM   812  H HA   . CYS D 1 2  ? 16.852 1.497  14.015 1.00 23.41  ? 2   CYS D HA   1 
ATOM   813  H HB2  . CYS D 1 2  ? 17.043 3.709  12.266 1.00 25.22  ? 2   CYS D HB2  1 
ATOM   814  H HB3  . CYS D 1 2  ? 18.201 2.670  12.568 1.00 25.22  ? 2   CYS D HB3  1 
ATOM   815  H HG   . CYS D 1 2  ? 17.355 2.200  10.035 1.00 26.51  ? 2   CYS D HG   1 
ATOM   816  N N    . VAL D 1 3  ? 18.098 3.116  15.479 1.00 19.62  ? 3   VAL D N    1 
ATOM   817  C CA   . VAL D 1 3  ? 18.656 3.988  16.504 1.00 21.34  ? 3   VAL D CA   1 
ATOM   818  C C    . VAL D 1 3  ? 19.731 4.839  15.848 1.00 20.12  ? 3   VAL D C    1 
ATOM   819  O O    . VAL D 1 3  ? 20.633 4.305  15.199 1.00 23.43  ? 3   VAL D O    1 
ATOM   820  C CB   . VAL D 1 3  ? 19.240 3.170  17.670 1.00 21.24  ? 3   VAL D CB   1 
ATOM   821  C CG1  . VAL D 1 3  ? 19.708 4.100  18.798 1.00 24.04  ? 3   VAL D CG1  1 
ATOM   822  C CG2  . VAL D 1 3  ? 18.227 2.158  18.170 1.00 42.49  ? 3   VAL D CG2  1 
ATOM   823  H H    . VAL D 1 3  ? 18.593 2.436  15.303 1.00 23.57  ? 3   VAL D H    1 
ATOM   824  H HA   . VAL D 1 3  ? 17.963 4.572  16.850 1.00 25.63  ? 3   VAL D HA   1 
ATOM   825  H HB   . VAL D 1 3  ? 20.014 2.681  17.350 1.00 25.51  ? 3   VAL D HB   1 
ATOM   826  H HG11 . VAL D 1 3  ? 20.071 3.562  19.519 1.00 28.87  ? 3   VAL D HG11 1 
ATOM   827  H HG12 . VAL D 1 3  ? 20.391 4.696  18.453 1.00 28.87  ? 3   VAL D HG12 1 
ATOM   828  H HG13 . VAL D 1 3  ? 18.950 4.614  19.118 1.00 28.87  ? 3   VAL D HG13 1 
ATOM   829  H HG21 . VAL D 1 3  ? 18.617 1.656  18.902 1.00 51.00  ? 3   VAL D HG21 1 
ATOM   830  H HG22 . VAL D 1 3  ? 17.435 2.628  18.475 1.00 51.00  ? 3   VAL D HG22 1 
ATOM   831  H HG23 . VAL D 1 3  ? 17.996 1.558  17.444 1.00 51.00  ? 3   VAL D HG23 1 
ATOM   832  N N    . PHE D 1 4  ? 19.633 6.154  16.003 1.00 19.59  ? 4   PHE D N    1 
ATOM   833  C CA   . PHE D 1 4  ? 20.673 7.058  15.524 1.00 20.13  ? 4   PHE D CA   1 
ATOM   834  C C    . PHE D 1 4  ? 21.408 7.694  16.721 1.00 21.82  ? 4   PHE D C    1 
ATOM   835  O O    . PHE D 1 4  ? 20.793 7.941  17.756 1.00 17.00  ? 4   PHE D O    1 
ATOM   836  C CB   . PHE D 1 4  ? 20.051 8.121  14.610 1.00 22.11  ? 4   PHE D CB   1 
ATOM   837  C CG   . PHE D 1 4  ? 19.451 7.547  13.356 1.00 19.47  ? 4   PHE D CG   1 
ATOM   838  C CD1  . PHE D 1 4  ? 18.141 7.115  13.340 1.00 19.73  ? 4   PHE D CD1  1 
ATOM   839  C CD2  . PHE D 1 4  ? 20.210 7.410  12.204 1.00 23.05  ? 4   PHE D CD2  1 
ATOM   840  C CE1  . PHE D 1 4  ? 17.578 6.570  12.189 1.00 19.53  ? 4   PHE D CE1  1 
ATOM   841  C CE2  . PHE D 1 4  ? 19.653 6.859  11.050 1.00 24.64  ? 4   PHE D CE2  1 
ATOM   842  C CZ   . PHE D 1 4  ? 18.337 6.441  11.052 1.00 21.20  ? 4   PHE D CZ   1 
ATOM   843  H H    . PHE D 1 4  ? 18.972 6.550  16.385 1.00 23.53  ? 4   PHE D H    1 
ATOM   844  H HA   . PHE D 1 4  ? 21.320 6.554  15.006 1.00 24.18  ? 4   PHE D HA   1 
ATOM   845  H HB2  . PHE D 1 4  ? 19.347 8.579  15.095 1.00 26.55  ? 4   PHE D HB2  1 
ATOM   846  H HB3  . PHE D 1 4  ? 20.738 8.753  14.350 1.00 26.55  ? 4   PHE D HB3  1 
ATOM   847  H HD1  . PHE D 1 4  ? 17.623 7.198  14.107 1.00 23.70  ? 4   PHE D HD1  1 
ATOM   848  H HD2  . PHE D 1 4  ? 21.097 7.689  12.201 1.00 27.68  ? 4   PHE D HD2  1 
ATOM   849  H HE1  . PHE D 1 4  ? 16.692 6.288  12.193 1.00 23.46  ? 4   PHE D HE1  1 
ATOM   850  H HE2  . PHE D 1 4  ? 20.166 6.776  10.279 1.00 29.58  ? 4   PHE D HE2  1 
ATOM   851  H HZ   . PHE D 1 4  ? 17.962 6.079  10.282 1.00 25.46  ? 4   PHE D HZ   1 
HETATM 852  C C1   . MEA D 1 5  ? 23.481 8.024  15.411 1.00 16.33  ? 5   MEA D C1   1 
HETATM 853  N N    . MEA D 1 5  ? 22.718 7.928  16.616 1.00 20.99  ? 5   MEA D N    1 
HETATM 854  C CA   . MEA D 1 5  ? 23.435 8.453  17.776 1.00 15.92  ? 5   MEA D CA   1 
HETATM 855  C C    . MEA D 1 5  ? 23.762 9.932  17.515 1.00 15.75  ? 5   MEA D C    1 
HETATM 856  O O    . MEA D 1 5  ? 24.681 10.250 16.724 1.00 17.30  ? 5   MEA D O    1 
HETATM 857  C CB   . MEA D 1 5  ? 24.675 7.715  18.094 1.00 21.16  ? 5   MEA D CB   1 
HETATM 858  C CG   . MEA D 1 5  ? 24.334 6.229  18.270 1.00 26.18  ? 5   MEA D CG   1 
HETATM 859  C CD1  . MEA D 1 5  ? 24.627 5.308  17.268 1.00 64.98  ? 5   MEA D CD1  1 
HETATM 860  C CE1  . MEA D 1 5  ? 24.307 3.960  17.448 1.00 65.73  ? 5   MEA D CE1  1 
HETATM 861  C CZ   . MEA D 1 5  ? 23.692 3.539  18.632 1.00 33.23  ? 5   MEA D CZ   1 
HETATM 862  C CE2  . MEA D 1 5  ? 23.396 4.465  19.645 1.00 37.24  ? 5   MEA D CE2  1 
HETATM 863  C CD2  . MEA D 1 5  ? 23.712 5.800  19.471 1.00 28.86  ? 5   MEA D CD2  1 
HETATM 864  H HC1  . MEA D 1 5  ? 23.145 7.359  14.752 1.00 19.50  ? 5   MEA D HC1  1 
HETATM 865  H HC2  . MEA D 1 5  ? 23.391 8.930  15.038 1.00 19.50  ? 5   MEA D HC2  1 
HETATM 866  H HC3  . MEA D 1 5  ? 24.442 7.839  15.609 1.00 19.50  ? 5   MEA D HC3  1 
HETATM 867  H HA   . MEA D 1 5  ? 22.834 8.402  18.561 1.00 19.01  ? 5   MEA D HA   1 
HETATM 868  H HB1  . MEA D 1 5  ? 25.058 8.065  18.931 1.00 25.41  ? 5   MEA D HB1  1 
HETATM 869  H HB2  . MEA D 1 5  ? 25.326 7.825  17.360 1.00 25.41  ? 5   MEA D HB2  1 
HETATM 870  H HD1  . MEA D 1 5  ? 25.052 5.601  16.446 1.00 77.99  ? 5   MEA D HD1  1 
HETATM 871  H HE1  . MEA D 1 5  ? 24.512 3.305  16.741 1.00 78.90  ? 5   MEA D HE1  1 
HETATM 872  H HZ   . MEA D 1 5  ? 23.467 2.580  18.757 1.00 39.89  ? 5   MEA D HZ   1 
HETATM 873  H HE2  . MEA D 1 5  ? 22.974 4.170  20.459 1.00 44.71  ? 5   MEA D HE2  1 
HETATM 874  H HD2  . MEA D 1 5  ? 23.424 6.267  20.283 1.00 34.65  ? 5   MEA D HD2  1 
ATOM   875  N N    . CYS D 1 6  ? 23.021 10.816 18.176 1.00 15.76  ? 6   CYS D N    1 
ATOM   876  C CA   . CYS D 1 6  ? 23.054 12.229 17.832 1.00 16.23  ? 6   CYS D CA   1 
ATOM   877  C C    . CYS D 1 6  ? 23.177 13.084 19.063 1.00 16.50  ? 6   CYS D C    1 
ATOM   878  O O    . CYS D 1 6  ? 22.730 12.710 20.153 1.00 16.54  ? 6   CYS D O    1 
ATOM   879  C CB   . CYS D 1 6  ? 21.792 12.637 17.055 1.00 16.92  ? 6   CYS D CB   1 
ATOM   880  S SG   . CYS D 1 6  ? 21.335 11.528 15.728 1.00 16.66  ? 6   CYS D SG   1 
ATOM   881  H H    . CYS D 1 6  ? 22.492 10.622 18.826 1.00 18.82  ? 6   CYS D H    1 
ATOM   882  H HA   . CYS D 1 6  ? 23.825 12.400 17.268 1.00 19.38  ? 6   CYS D HA   1 
ATOM   883  H HB2  . CYS D 1 6  ? 21.046 12.676 17.674 1.00 20.20  ? 6   CYS D HB2  1 
ATOM   884  H HB3  . CYS D 1 6  ? 21.938 13.514 16.666 1.00 20.20  ? 6   CYS D HB3  1 
ATOM   885  H HG   . CYS D 1 6  ? 20.343 11.943 15.196 1.00 19.89  ? 6   CYS D HG   1 
ATOM   886  N N    . GLU D 1 7  ? 23.789 14.251 18.884 1.00 17.11  ? 7   GLU D N    1 
ATOM   887  C CA   . GLU D 1 7  ? 23.956 15.180 19.987 1.00 17.61  ? 7   GLU D CA   1 
ATOM   888  C C    . GLU D 1 7  ? 22.681 15.993 20.125 1.00 20.73  ? 7   GLU D C    1 
ATOM   889  O O    . GLU D 1 7  ? 22.225 16.617 19.159 1.00 22.66  ? 7   GLU D O    1 
ATOM   890  C CB   . GLU D 1 7  ? 25.155 16.098 19.772 1.00 18.18  ? 7   GLU D CB   1 
ATOM   891  C CG   . GLU D 1 7  ? 25.447 16.902 21.018 1.00 20.55  ? 7   GLU D CG   1 
ATOM   892  C CD   . GLU D 1 7  ? 26.724 17.715 20.946 1.00 27.91  ? 7   GLU D CD   1 
ATOM   893  O OE1  . GLU D 1 7  ? 27.287 17.886 19.848 1.00 25.08  ? 7   GLU D OE1  1 
ATOM   894  O OE2  . GLU D 1 7  ? 27.158 18.189 22.010 1.00 22.17  ? 7   GLU D OE2  1 
ATOM   895  H H    . GLU D 1 7  ? 24.114 14.524 18.137 1.00 20.44  ? 7   GLU D H    1 
ATOM   896  H HA   . GLU D 1 7  ? 24.094 14.684 20.809 1.00 21.03  ? 7   GLU D HA   1 
ATOM   897  H HB2  . GLU D 1 7  ? 25.937 15.563 19.563 1.00 21.71  ? 7   GLU D HB2  1 
ATOM   898  H HB3  . GLU D 1 7  ? 24.963 16.714 19.048 1.00 21.71  ? 7   GLU D HB3  1 
ATOM   899  H HG2  . GLU D 1 7  ? 24.713 17.518 21.170 1.00 24.68  ? 7   GLU D HG2  1 
ATOM   900  H HG3  . GLU D 1 7  ? 25.526 16.294 21.770 1.00 24.68  ? 7   GLU D HG3  1 
ATOM   901  N N    . ASP D 1 8  ? 22.103 15.968 21.317 1.00 21.01  ? 8   ASP D N    1 
ATOM   902  C CA   . ASP D 1 8  ? 20.880 16.701 21.597 1.00 21.66  ? 8   ASP D CA   1 
ATOM   903  C C    . ASP D 1 8  ? 21.131 17.674 22.742 1.00 28.67  ? 8   ASP D C    1 
ATOM   904  O O    . ASP D 1 8  ? 21.192 17.285 23.911 1.00 22.91  ? 8   ASP D O    1 
ATOM   905  C CB   . ASP D 1 8  ? 19.750 15.733 21.932 1.00 32.43  ? 8   ASP D CB   1 
ATOM   906  C CG   . ASP D 1 8  ? 18.396 16.390 21.886 1.00 50.95  ? 8   ASP D CG   1 
ATOM   907  O OD1  . ASP D 1 8  ? 18.341 17.629 21.761 1.00 40.16  ? 8   ASP D OD1  1 
ATOM   908  O OD2  . ASP D 1 8  ? 17.389 15.665 21.965 1.00 37.65  ? 8   ASP D OD2  1 
ATOM   909  H H    . ASP D 1 8  ? 22.405 15.526 21.991 1.00 25.23  ? 8   ASP D H    1 
ATOM   910  H HA   . ASP D 1 8  ? 20.624 17.211 20.813 1.00 25.89  ? 8   ASP D HA   1 
ATOM   911  H HB2  . ASP D 1 8  ? 19.755 15.006 21.290 1.00 38.94  ? 8   ASP D HB2  1 
ATOM   912  H HB3  . ASP D 1 8  ? 19.886 15.386 22.828 1.00 38.94  ? 8   ASP D HB3  1 
HETATM 913  N N    . ORN D 1 9  ? 24.473 19.753 26.179 1.00 27.94  ? 9   ORN D N    1 
HETATM 914  C CA   . ORN D 1 9  ? 23.850 18.728 25.327 1.00 23.85  ? 9   ORN D CA   1 
HETATM 915  C CB   . ORN D 1 9  ? 23.941 19.111 23.848 1.00 29.60  ? 9   ORN D CB   1 
HETATM 916  C CG   . ORN D 1 9  ? 23.072 20.346 23.476 1.00 31.76  ? 9   ORN D CG   1 
HETATM 917  C CD   . ORN D 1 9  ? 21.569 20.027 23.358 1.00 27.93  ? 9   ORN D CD   1 
HETATM 918  N NE   . ORN D 1 9  ? 21.315 18.987 22.379 1.00 27.45  ? 9   ORN D NE   1 
HETATM 919  C C    . ORN D 1 9  ? 24.528 17.362 25.571 1.00 29.17  ? 9   ORN D C    1 
HETATM 920  O O    . ORN D 1 9  ? 25.558 17.250 26.242 1.00 28.27  ? 9   ORN D O    1 
HETATM 921  H H2   . ORN D 1 9  ? 25.389 20.057 25.842 1.00 33.55  ? 9   ORN D H2   1 
HETATM 922  H H    . ORN D 1 9  ? 24.628 19.440 27.141 1.00 33.55  ? 9   ORN D H    1 
HETATM 923  H H3   . ORN D 1 9  ? 23.916 20.608 26.258 1.00 33.55  ? 9   ORN D H3   1 
HETATM 924  H HA   . ORN D 1 9  ? 22.815 18.647 25.672 1.00 28.64  ? 9   ORN D HA   1 
HETATM 925  H HB2  . ORN D 1 9  ? 24.986 19.323 23.579 1.00 35.54  ? 9   ORN D HB2  1 
HETATM 926  H HB3  . ORN D 1 9  ? 23.562 18.263 23.261 1.00 35.54  ? 9   ORN D HB3  1 
HETATM 927  H HG2  . ORN D 1 9  ? 23.212 21.116 24.242 1.00 38.14  ? 9   ORN D HG2  1 
HETATM 928  H HG3  . ORN D 1 9  ? 23.419 20.741 22.514 1.00 38.14  ? 9   ORN D HG3  1 
HETATM 929  H HD2  . ORN D 1 9  ? 21.202 19.693 24.333 1.00 33.54  ? 9   ORN D HD2  1 
HETATM 930  H HD3  . ORN D 1 9  ? 21.047 20.933 23.039 1.00 33.54  ? 9   ORN D HD3  1 
HETATM 931  H HE1  . ORN D 1 9  ? 21.269 19.296 21.410 1.00 32.96  ? 9   ORN D HE1  1 
ATOM   932  N N    . ALA D 1 10 ? 23.895 16.293 25.000 1.00 22.77  ? 10  ALA D N    1 
ATOM   933  C CA   . ALA D 1 10 ? 24.396 14.941 25.159 1.00 22.26  ? 10  ALA D CA   1 
ATOM   934  C C    . ALA D 1 10 ? 24.119 14.123 23.908 1.00 20.87  ? 10  ALA D C    1 
ATOM   935  O O    . ALA D 1 10 ? 23.197 14.434 23.162 1.00 22.78  ? 10  ALA D O    1 
ATOM   936  C CB   . ALA D 1 10 ? 23.753 14.298 26.360 1.00 27.79  ? 10  ALA D CB   1 
ATOM   937  H H    . ALA D 1 10 ? 23.171 16.347 24.539 1.00 27.34  ? 10  ALA D H    1 
ATOM   938  H HA   . ALA D 1 10 ? 25.356 14.967 25.302 1.00 26.73  ? 10  ALA D HA   1 
ATOM   939  H HB1  . ALA D 1 10 ? 24.096 13.395 26.456 1.00 33.36  ? 10  ALA D HB1  1 
ATOM   940  H HB2  . ALA D 1 10 ? 23.968 14.819 27.149 1.00 33.36  ? 10  ALA D HB2  1 
ATOM   941  H HB3  . ALA D 1 10 ? 22.793 14.275 26.228 1.00 33.36  ? 10  ALA D HB3  1 
HETATM 942  N N    . CHG D 1 11 ? 24.917 13.075 23.711 1.00 17.26  ? 11  CHG D N    1 
HETATM 943  C CA   . CHG D 1 11 ? 24.777 12.242 22.765 1.00 20.73  ? 11  CHG D CA   1 
HETATM 944  C C    . CHG D 1 11 ? 24.136 11.123 23.138 1.00 20.14  ? 11  CHG D C    1 
HETATM 945  O O    . CHG D 1 11 ? 24.617 10.392 23.953 1.00 19.36  ? 11  CHG D O    1 
HETATM 946  C C1   . CHG D 1 11 ? 25.922 12.095 21.737 1.00 25.91  ? 11  CHG D C1   1 
HETATM 947  C C2   . CHG D 1 11 ? 27.062 13.127 21.824 1.00 26.12  ? 11  CHG D C2   1 
HETATM 948  C C3   . CHG D 1 11 ? 28.289 12.822 20.967 1.00 26.88  ? 11  CHG D C3   1 
HETATM 949  C C4   . CHG D 1 11 ? 27.980 11.931 19.776 1.00 26.04  ? 11  CHG D C4   1 
HETATM 950  C C5   . CHG D 1 11 ? 27.373 10.602 20.196 1.00 26.53  ? 11  CHG D C5   1 
HETATM 951  C C6   . CHG D 1 11 ? 26.074 10.762 20.983 1.00 22.93  ? 11  CHG D C6   1 
HETATM 952  H H2   . CHG D 1 11 ? 27.347 13.185 22.750 1.00 31.37  ? 11  CHG D H2   1 
HETATM 953  H HN   . CHG D 1 11 ? 25.577 12.929 24.244 1.00 20.73  ? 11  CHG D HN   1 
HETATM 954  H HA   . CHG D 1 11 ? 24.167 12.686 22.155 1.00 24.89  ? 11  CHG D HA   1 
HETATM 955  H H1   . CHG D 1 11 ? 26.405 11.637 22.442 1.00 31.11  ? 11  CHG D H1   1 
HETATM 956  H H2A  . CHG D 1 11 ? 26.711 13.989 21.553 1.00 31.37  ? 11  CHG D H2A  1 
HETATM 957  H H3   . CHG D 1 11 ? 28.952 12.381 21.521 1.00 32.28  ? 11  CHG D H3   1 
HETATM 958  H H3A  . CHG D 1 11 ? 28.655 13.659 20.641 1.00 32.28  ? 11  CHG D H3A  1 
HETATM 959  H H4   . CHG D 1 11 ? 28.802 11.760 19.291 1.00 31.26  ? 11  CHG D H4   1 
HETATM 960  H H4A  . CHG D 1 11 ? 27.355 12.391 19.194 1.00 31.26  ? 11  CHG D H4A  1 
HETATM 961  H H5   . CHG D 1 11 ? 28.014 10.128 20.748 1.00 31.85  ? 11  CHG D H5   1 
HETATM 962  H H5A  . CHG D 1 11 ? 27.191 10.078 19.400 1.00 31.85  ? 11  CHG D H5A  1 
HETATM 963  H H6   . CHG D 1 11 ? 26.020 10.041 21.630 1.00 27.53  ? 11  CHG D H6   1 
HETATM 964  H H6A  . CHG D 1 11 ? 25.332 10.678 20.364 1.00 27.53  ? 11  CHG D H6A  1 
ATOM   965  N N    . ILE D 1 12 ? 22.968 10.870 22.542 1.00 18.68  ? 12  ILE D N    1 
ATOM   966  C CA   . ILE D 1 12 ? 22.076 9.782  22.975 1.00 18.13  ? 12  ILE D CA   1 
ATOM   967  C C    . ILE D 1 12 ? 21.580 9.002  21.765 1.00 17.76  ? 12  ILE D C    1 
ATOM   968  O O    . ILE D 1 12 ? 21.767 9.429  20.628 1.00 16.80  ? 12  ILE D O    1 
ATOM   969  C CB   . ILE D 1 12 ? 20.878 10.324 23.782 1.00 19.76  ? 12  ILE D CB   1 
ATOM   970  C CG1  . ILE D 1 12 ? 20.047 11.286 22.907 1.00 24.64  ? 12  ILE D CG1  1 
ATOM   971  C CG2  . ILE D 1 12 ? 21.369 10.987 25.058 1.00 20.48  ? 12  ILE D CG2  1 
ATOM   972  C CD1  . ILE D 1 12 ? 19.011 12.094 23.648 1.00 54.45  ? 12  ILE D CD1  1 
ATOM   973  H H    . ILE D 1 12 ? 22.664 11.320 21.875 1.00 22.43  ? 12  ILE D H    1 
ATOM   974  H HA   . ILE D 1 12 ? 22.572 9.173  23.545 1.00 21.66  ? 12  ILE D HA   1 
ATOM   975  H HB   . ILE D 1 12 ? 20.313 9.574  24.028 1.00 23.61  ? 12  ILE D HB   1 
ATOM   976  H HG12 . ILE D 1 12 ? 20.652 11.911 22.477 1.00 29.58  ? 12  ILE D HG12 1 
ATOM   977  H HG13 . ILE D 1 12 ? 19.584 10.766 22.232 1.00 29.58  ? 12  ILE D HG13 1 
ATOM   978  H HG21 . ILE D 1 12 ? 20.606 11.322 25.553 1.00 24.48  ? 12  ILE D HG21 1 
ATOM   979  H HG22 . ILE D 1 12 ? 21.847 10.331 25.589 1.00 24.48  ? 12  ILE D HG22 1 
ATOM   980  H HG23 . ILE D 1 12 ? 21.960 11.719 24.825 1.00 24.48  ? 12  ILE D HG23 1 
ATOM   981  H HD11 . ILE D 1 12 ? 18.545 12.665 23.017 1.00 65.36  ? 12  ILE D HD11 1 
ATOM   982  H HD12 . ILE D 1 12 ? 18.384 11.489 24.074 1.00 65.36  ? 12  ILE D HD12 1 
ATOM   983  H HD13 . ILE D 1 12 ? 19.455 12.637 24.319 1.00 65.36  ? 12  ILE D HD13 1 
ATOM   984  N N    . GLY D 1 13 ? 20.933 7.863  22.012 1.00 18.91  ? 13  GLY D N    1 
ATOM   985  C CA   . GLY D 1 13 ? 20.362 7.078  20.936 1.00 19.32  ? 13  GLY D CA   1 
ATOM   986  C C    . GLY D 1 13 ? 18.911 7.433  20.667 1.00 19.49  ? 13  GLY D C    1 
ATOM   987  O O    . GLY D 1 13 ? 18.062 7.295  21.542 1.00 25.14  ? 13  GLY D O    1 
ATOM   988  H H    . GLY D 1 13 ? 20.814 7.529  22.795 1.00 22.71  ? 13  GLY D H    1 
ATOM   989  H HA2  . GLY D 1 13 ? 20.871 7.226  20.124 1.00 23.20  ? 13  GLY D HA2  1 
ATOM   990  H HA3  . GLY D 1 13 ? 20.411 6.136  21.163 1.00 23.20  ? 13  GLY D HA3  1 
ATOM   991  N N    . LEU D 1 14 ? 18.610 7.886  19.463 1.00 18.57  ? 14  LEU D N    1 
ATOM   992  C CA   . LEU D 1 14 ? 17.254 8.287  19.119 1.00 19.78  ? 14  LEU D CA   1 
ATOM   993  C C    . LEU D 1 14 ? 16.636 7.290  18.149 1.00 22.97  ? 14  LEU D C    1 
ATOM   994  O O    . LEU D 1 14 ? 17.237 6.968  17.134 1.00 18.33  ? 14  LEU D O    1 
ATOM   995  C CB   . LEU D 1 14 ? 17.263 9.685  18.513 1.00 19.77  ? 14  LEU D CB   1 
ATOM   996  C CG   . LEU D 1 14 ? 17.859 10.746 19.443 1.00 33.25  ? 14  LEU D CG   1 
ATOM   997  C CD1  . LEU D 1 14 ? 18.079 12.043 18.708 1.00 43.28  ? 14  LEU D CD1  1 
ATOM   998  C CD2  . LEU D 1 14 ? 16.946 10.966 20.649 1.00 34.25  ? 14  LEU D CD2  1 
ATOM   999  H H    . LEU D 1 14 ? 19.176 7.972  18.821 1.00 22.19  ? 14  LEU D H    1 
ATOM   1000 H HA   . LEU D 1 14 ? 16.711 8.306  19.923 1.00 23.76  ? 14  LEU D HA   1 
ATOM   1001 H HB2  . LEU D 1 14 ? 17.791 9.672  17.699 1.00 23.75  ? 14  LEU D HB2  1 
ATOM   1002 H HB3  . LEU D 1 14 ? 16.350 9.945  18.310 1.00 23.75  ? 14  LEU D HB3  1 
ATOM   1003 H HG   . LEU D 1 14 ? 18.718 10.435 19.769 1.00 39.93  ? 14  LEU D HG   1 
ATOM   1004 H HD11 . LEU D 1 14 ? 18.456 12.693 19.321 1.00 51.95  ? 14  LEU D HD11 1 
ATOM   1005 H HD12 . LEU D 1 14 ? 18.691 11.889 17.972 1.00 51.95  ? 14  LEU D HD12 1 
ATOM   1006 H HD13 . LEU D 1 14 ? 17.228 12.363 18.369 1.00 51.95  ? 14  LEU D HD13 1 
ATOM   1007 H HD21 . LEU D 1 14 ? 17.340 11.639 21.224 1.00 41.12  ? 14  LEU D HD21 1 
ATOM   1008 H HD22 . LEU D 1 14 ? 16.077 11.265 20.336 1.00 41.12  ? 14  LEU D HD22 1 
ATOM   1009 H HD23 . LEU D 1 14 ? 16.854 10.130 21.132 1.00 41.12  ? 14  LEU D HD23 1 
HETATM 1010 N N    . ORN D 1 15 ? 15.436 6.808  18.456 1.00 22.73  ? 15  ORN D N    1 
HETATM 1011 C CA   . ORN D 1 15 ? 14.873 5.920  17.685 1.00 57.89  ? 15  ORN D CA   1 
HETATM 1012 C CB   . ORN D 1 15 ? 14.266 4.838  18.551 1.00 45.57  ? 15  ORN D CB   1 
HETATM 1013 C CG   . ORN D 1 15 ? 12.757 4.936  18.637 1.00 74.44  ? 15  ORN D CG   1 
HETATM 1014 C CD   . ORN D 1 15 ? 12.246 3.859  19.569 1.00 84.90  ? 15  ORN D CD   1 
HETATM 1015 N NE   . ORN D 1 15 ? 10.828 3.983  19.689 1.00 70.35  ? 15  ORN D NE   1 
HETATM 1016 C C    . ORN D 1 15 ? 14.048 6.450  16.751 1.00 32.42  ? 15  ORN D C    1 
HETATM 1017 O O    . ORN D 1 15 ? 13.144 7.191  17.081 1.00 36.59  ? 15  ORN D O    1 
HETATM 1018 H H    . ORN D 1 15 ? 14.979 7.078  19.200 1.00 27.29  ? 15  ORN D H    1 
HETATM 1019 H HA   . ORN D 1 15 ? 15.567 5.394  17.233 1.00 69.49  ? 15  ORN D HA   1 
HETATM 1020 H HB2  . ORN D 1 15 ? 14.646 4.897  19.451 1.00 54.70  ? 15  ORN D HB2  1 
HETATM 1021 H HB3  . ORN D 1 15 ? 14.496 3.968  18.168 1.00 54.70  ? 15  ORN D HB3  1 
HETATM 1022 H HG2  . ORN D 1 15 ? 12.370 4.809  17.748 1.00 89.35  ? 15  ORN D HG2  1 
HETATM 1023 H HG3  . ORN D 1 15 ? 12.505 5.816  18.982 1.00 89.35  ? 15  ORN D HG3  1 
HETATM 1024 H HD2  . ORN D 1 15 ? 12.659 3.964  20.452 1.00 101.90 ? 15  ORN D HD2  1 
HETATM 1025 H HD3  . ORN D 1 15 ? 12.469 2.977  19.206 1.00 101.90 ? 15  ORN D HD3  1 
HETATM 1026 H HE1  . ORN D 1 15 ? 10.621 4.807  20.036 1.00 84.44  ? 15  ORN D HE1  1 
HETATM 1027 H HE2  . ORN D 1 15 ? 10.442 3.895  18.860 1.00 84.44  ? 15  ORN D HE2  1 
HETATM 1028 H HN3  . ORN D 1 15 ? 10.508 3.327  20.246 1.00 84.44  ? 15  ORN D HN3  1 
ATOM   1029 N N    . VAL D 1 16 ? 14.273 6.125  15.483 1.00 26.03  ? 16  VAL D N    1 
ATOM   1030 C CA   . VAL D 1 16 ? 13.412 6.639  14.421 1.00 25.13  ? 16  VAL D CA   1 
ATOM   1031 C C    . VAL D 1 16 ? 12.827 5.452  13.669 1.00 20.92  ? 16  VAL D C    1 
ATOM   1032 O O    . VAL D 1 16 ? 13.522 4.759  12.939 1.00 20.74  ? 16  VAL D O    1 
ATOM   1033 C CB   . VAL D 1 16 ? 14.169 7.591  13.473 1.00 24.40  ? 16  VAL D CB   1 
ATOM   1034 C CG1  . VAL D 1 16 ? 13.242 8.136  12.396 1.00 33.14  ? 16  VAL D CG1  1 
ATOM   1035 C CG2  . VAL D 1 16 ? 14.774 8.742  14.260 1.00 26.64  ? 16  VAL D CG2  1 
ATOM   1036 H H    . VAL D 1 16 ? 14.895 5.598  15.206 1.00 31.26  ? 16  VAL D H    1 
ATOM   1037 H HA   . VAL D 1 16 ? 12.679 7.134  14.819 1.00 30.17  ? 16  VAL D HA   1 
ATOM   1038 H HB   . VAL D 1 16 ? 14.889 7.106  13.039 1.00 29.30  ? 16  VAL D HB   1 
ATOM   1039 H HG11 . VAL D 1 16 ? 13.745 8.730  11.817 1.00 39.79  ? 16  VAL D HG11 1 
ATOM   1040 H HG12 . VAL D 1 16 ? 12.886 7.395  11.882 1.00 39.79  ? 16  VAL D HG12 1 
ATOM   1041 H HG13 . VAL D 1 16 ? 12.518 8.623  12.820 1.00 39.79  ? 16  VAL D HG13 1 
ATOM   1042 H HG21 . VAL D 1 16 ? 15.245 9.329  13.648 1.00 31.99  ? 16  VAL D HG21 1 
ATOM   1043 H HG22 . VAL D 1 16 ? 14.062 9.229  14.704 1.00 31.99  ? 16  VAL D HG22 1 
ATOM   1044 H HG23 . VAL D 1 16 ? 15.391 8.385  14.918 1.00 31.99  ? 16  VAL D HG23 1 
HETATM 1045 N N    . ORN E 1 1  ? 29.055 -2.834 39.612 1.00 38.76  ? 1   ORN E N    1 
HETATM 1046 C CA   . ORN E 1 1  ? 27.798 -2.581 38.837 1.00 31.64  ? 1   ORN E CA   1 
HETATM 1047 C CB   . ORN E 1 1  ? 27.304 -1.166 39.101 1.00 36.77  ? 1   ORN E CB   1 
HETATM 1048 C CG   . ORN E 1 1  ? 26.772 -0.975 40.535 1.00 53.88  ? 1   ORN E CG   1 
HETATM 1049 C CD   . ORN E 1 1  ? 25.375 -1.571 40.726 1.00 43.06  ? 1   ORN E CD   1 
HETATM 1050 N NE   . ORN E 1 1  ? 24.423 -0.920 39.857 1.00 39.00  ? 1   ORN E NE   1 
HETATM 1051 C C    . ORN E 1 1  ? 27.993 -2.789 37.309 1.00 27.61  ? 1   ORN E C    1 
HETATM 1052 O O    . ORN E 1 1  ? 29.115 -2.853 36.802 1.00 27.96  ? 1   ORN E O    1 
HETATM 1053 H H1   . ORN E 1 1  ? 28.894 -2.955 40.615 1.00 46.54  ? 1   ORN E H1   1 
HETATM 1054 H H2   . ORN E 1 1  ? 29.738 -2.076 39.536 1.00 46.54  ? 1   ORN E H2   1 
HETATM 1055 H H3   . ORN E 1 1  ? 29.551 -3.677 39.314 1.00 46.54  ? 1   ORN E H3   1 
HETATM 1056 H HA   . ORN E 1 1  ? 27.087 -3.338 39.178 1.00 37.98  ? 1   ORN E HA   1 
HETATM 1057 H HB2  . ORN E 1 1  ? 28.113 -0.444 38.925 1.00 44.15  ? 1   ORN E HB2  1 
HETATM 1058 H HB3  . ORN E 1 1  ? 26.464 -0.973 38.419 1.00 44.15  ? 1   ORN E HB3  1 
HETATM 1059 H HG2  . ORN E 1 1  ? 27.465 -1.453 41.237 1.00 64.68  ? 1   ORN E HG2  1 
HETATM 1060 H HG3  . ORN E 1 1  ? 26.727 0.097  40.755 1.00 64.68  ? 1   ORN E HG3  1 
HETATM 1061 H HD2  . ORN E 1 1  ? 25.407 -2.638 40.489 1.00 51.69  ? 1   ORN E HD2  1 
HETATM 1062 H HD3  . ORN E 1 1  ? 25.065 -1.412 41.763 1.00 51.69  ? 1   ORN E HD3  1 
HETATM 1063 H HE1  . ORN E 1 1  ? 24.061 -0.030 40.195 1.00 46.82  ? 1   ORN E HE1  1 
ATOM   1064 N N    . CYS E 1 2  ? 26.832 -2.899 36.579 1.00 28.58  ? 2   CYS E N    1 
ATOM   1065 C CA   . CYS E 1 2  ? 26.828 -3.098 35.133 1.00 25.37  ? 2   CYS E CA   1 
ATOM   1066 C C    . CYS E 1 2  ? 26.116 -1.939 34.433 1.00 35.42  ? 2   CYS E C    1 
ATOM   1067 O O    . CYS E 1 2  ? 25.296 -1.250 35.038 1.00 33.44  ? 2   CYS E O    1 
ATOM   1068 C CB   . CYS E 1 2  ? 26.141 -4.414 34.767 1.00 27.52  ? 2   CYS E CB   1 
ATOM   1069 S SG   . CYS E 1 2  ? 26.845 -5.879 35.572 1.00 27.04  ? 2   CYS E SG   1 
ATOM   1070 H H    . CYS E 1 2  ? 26.045 -2.856 36.923 1.00 34.32  ? 2   CYS E H    1 
ATOM   1071 H HA   . CYS E 1 2  ? 27.742 -3.132 34.811 1.00 30.47  ? 2   CYS E HA   1 
ATOM   1072 H HB2  . CYS E 1 2  ? 25.207 -4.358 35.022 1.00 33.05  ? 2   CYS E HB2  1 
ATOM   1073 H HB3  . CYS E 1 2  ? 26.210 -4.543 33.808 1.00 33.05  ? 2   CYS E HB3  1 
ATOM   1074 N N    . VAL E 1 3  ? 26.422 -1.734 33.155 1.00 27.65  ? 3   VAL E N    1 
ATOM   1075 C CA   . VAL E 1 3  ? 25.781 -0.698 32.352 1.00 25.50  ? 3   VAL E CA   1 
ATOM   1076 C C    . VAL E 1 3  ? 24.888 -1.382 31.334 1.00 24.68  ? 3   VAL E C    1 
ATOM   1077 O O    . VAL E 1 3  ? 25.348 -2.236 30.565 1.00 25.22  ? 3   VAL E O    1 
ATOM   1078 C CB   . VAL E 1 3  ? 26.803 0.222  31.663 1.00 31.36  ? 3   VAL E CB   1 
ATOM   1079 C CG1  . VAL E 1 3  ? 27.812 -0.573 30.860 1.00 78.39  ? 3   VAL E CG1  1 
ATOM   1080 C CG2  . VAL E 1 3  ? 26.076 1.219  30.757 1.00 32.23  ? 3   VAL E CG2  1 
ATOM   1081 H H    . VAL E 1 3  ? 27.009 -2.191 32.723 1.00 33.20  ? 3   VAL E H    1 
ATOM   1082 H HA   . VAL E 1 3  ? 25.222 -0.152 32.925 1.00 30.62  ? 3   VAL E HA   1 
ATOM   1083 H HB   . VAL E 1 3  ? 27.284 0.724  32.339 1.00 37.65  ? 3   VAL E HB   1 
ATOM   1084 H HG11 . VAL E 1 3  ? 28.437 0.040  30.442 1.00 94.09  ? 3   VAL E HG11 1 
ATOM   1085 H HG12 . VAL E 1 3  ? 28.286 -1.174 31.456 1.00 94.09  ? 3   VAL E HG12 1 
ATOM   1086 H HG13 . VAL E 1 3  ? 27.343 -1.082 30.180 1.00 94.09  ? 3   VAL E HG13 1 
ATOM   1087 H HG21 . VAL E 1 3  ? 26.731 1.792  30.330 1.00 38.70  ? 3   VAL E HG21 1 
ATOM   1088 H HG22 . VAL E 1 3  ? 25.576 0.728  30.086 1.00 38.70  ? 3   VAL E HG22 1 
ATOM   1089 H HG23 . VAL E 1 3  ? 25.471 1.751  31.297 1.00 38.70  ? 3   VAL E HG23 1 
ATOM   1090 N N    . PHE E 1 4  ? 23.613 -1.015 31.339 1.00 20.68  ? 4   PHE E N    1 
ATOM   1091 C CA   . PHE E 1 4  ? 22.651 -1.505 30.370 1.00 19.92  ? 4   PHE E CA   1 
ATOM   1092 C C    . PHE E 1 4  ? 22.162 -0.358 29.481 1.00 23.79  ? 4   PHE E C    1 
ATOM   1093 O O    . PHE E 1 4  ? 22.138 0.786  29.928 1.00 25.04  ? 4   PHE E O    1 
ATOM   1094 C CB   . PHE E 1 4  ? 21.494 -2.174 31.101 1.00 21.37  ? 4   PHE E CB   1 
ATOM   1095 C CG   . PHE E 1 4  ? 21.942 -3.302 31.992 1.00 26.51  ? 4   PHE E CG   1 
ATOM   1096 C CD1  . PHE E 1 4  ? 22.313 -4.518 31.444 1.00 35.52  ? 4   PHE E CD1  1 
ATOM   1097 C CD2  . PHE E 1 4  ? 22.040 -3.130 33.364 1.00 34.68  ? 4   PHE E CD2  1 
ATOM   1098 C CE1  . PHE E 1 4  ? 22.747 -5.557 32.250 1.00 36.78  ? 4   PHE E CE1  1 
ATOM   1099 C CE2  . PHE E 1 4  ? 22.472 -4.168 34.177 1.00 34.17  ? 4   PHE E CE2  1 
ATOM   1100 C CZ   . PHE E 1 4  ? 22.823 -5.381 33.617 1.00 26.21  ? 4   PHE E CZ   1 
ATOM   1101 H H    . PHE E 1 4  ? 23.275 -0.468 31.910 1.00 24.72  ? 4   PHE E H    1 
ATOM   1102 H HA   . PHE E 1 4  ? 23.077 -2.168 29.804 1.00 23.80  ? 4   PHE E HA   1 
ATOM   1103 H HB2  . PHE E 1 4  ? 21.045 -1.515 31.654 1.00 25.59  ? 4   PHE E HB2  1 
ATOM   1104 H HB3  . PHE E 1 4  ? 20.874 -2.536 30.448 1.00 25.59  ? 4   PHE E HB3  1 
ATOM   1105 H HD1  . PHE E 1 4  ? 22.260 -4.642 30.524 1.00 42.64  ? 4   PHE E HD1  1 
ATOM   1106 H HD2  . PHE E 1 4  ? 21.801 -2.316 33.744 1.00 41.64  ? 4   PHE E HD2  1 
ATOM   1107 H HE1  . PHE E 1 4  ? 22.984 -6.373 31.872 1.00 44.16  ? 4   PHE E HE1  1 
ATOM   1108 H HE2  . PHE E 1 4  ? 22.524 -4.047 35.098 1.00 41.03  ? 4   PHE E HE2  1 
ATOM   1109 H HZ   . PHE E 1 4  ? 23.114 -6.077 34.161 1.00 31.47  ? 4   PHE E HZ   1 
HETATM 1110 C C1   . MEA E 1 5  ? 21.570 -1.952 27.708 1.00 26.24  ? 5   MEA E C1   1 
HETATM 1111 N N    . MEA E 1 5  ? 21.803 -0.643 28.227 1.00 22.91  ? 5   MEA E N    1 
HETATM 1112 C CA   . MEA E 1 5  ? 21.314 0.424  27.368 1.00 20.45  ? 5   MEA E CA   1 
HETATM 1113 C C    . MEA E 1 5  ? 19.776 0.331  27.319 1.00 19.06  ? 5   MEA E C    1 
HETATM 1114 O O    . MEA E 1 5  ? 19.207 -0.663 26.815 1.00 19.08  ? 5   MEA E O    1 
HETATM 1115 C CB   . MEA E 1 5  ? 21.879 0.403  26.015 1.00 23.86  ? 5   MEA E CB   1 
HETATM 1116 C CG   . MEA E 1 5  ? 23.400 0.404  26.216 1.00 30.66  ? 5   MEA E CG   1 
HETATM 1117 C CD1  . MEA E 1 5  ? 24.146 -0.750 26.010 1.00 54.63  ? 5   MEA E CD1  1 
HETATM 1118 C CE1  . MEA E 1 5  ? 25.525 -0.728 26.216 1.00 50.68  ? 5   MEA E CE1  1 
HETATM 1119 C CZ   . MEA E 1 5  ? 26.148 0.448  26.640 1.00 37.92  ? 5   MEA E CZ   1 
HETATM 1120 C CE2  . MEA E 1 5  ? 25.395 1.609  26.859 1.00 37.73  ? 5   MEA E CE2  1 
HETATM 1121 C CD2  . MEA E 1 5  ? 24.030 1.591  26.648 1.00 40.66  ? 5   MEA E CD2  1 
HETATM 1122 H HC1  . MEA E 1 5  ? 22.214 -2.591 28.117 1.00 31.51  ? 5   MEA E HC1  1 
HETATM 1123 H HC2  . MEA E 1 5  ? 21.691 -1.943 26.732 1.00 31.51  ? 5   MEA E HC2  1 
HETATM 1124 H HC3  . MEA E 1 5  ? 20.638 -2.236 27.925 1.00 31.51  ? 5   MEA E HC3  1 
HETATM 1125 H HA   . MEA E 1 5  ? 21.555 1.289  27.786 1.00 24.56  ? 5   MEA E HA   1 
HETATM 1126 H HB1  . MEA E 1 5  ? 21.602 1.208  25.520 1.00 28.65  ? 5   MEA E HB1  1 
HETATM 1127 H HB2  . MEA E 1 5  ? 21.594 -0.410 25.533 1.00 28.65  ? 5   MEA E HB2  1 
HETATM 1128 H HD1  . MEA E 1 5  ? 23.710 -1.567 25.717 1.00 65.57  ? 5   MEA E HD1  1 
HETATM 1129 H HE1  . MEA E 1 5  ? 26.060 -1.541 26.064 1.00 60.83  ? 5   MEA E HE1  1 
HETATM 1130 H HZ   . MEA E 1 5  ? 27.130 0.462  26.783 1.00 45.52  ? 5   MEA E HZ   1 
HETATM 1131 H HE2  . MEA E 1 5  ? 25.830 2.419  27.146 1.00 45.30  ? 5   MEA E HE2  1 
HETATM 1132 H HD2  . MEA E 1 5  ? 23.700 2.490  26.858 1.00 48.81  ? 5   MEA E HD2  1 
ATOM   1133 N N    . CYS E 1 6  ? 19.122 1.368  27.833 1.00 20.21  ? 6   CYS E N    1 
ATOM   1134 C CA   . CYS E 1 6  ? 17.687 1.329  28.031 1.00 21.68  ? 6   CYS E CA   1 
ATOM   1135 C C    . CYS E 1 6  ? 17.019 2.607  27.592 1.00 23.75  ? 6   CYS E C    1 
ATOM   1136 O O    . CYS E 1 6  ? 17.655 3.671  27.521 1.00 21.91  ? 6   CYS E O    1 
ATOM   1137 C CB   . CYS E 1 6  ? 17.354 1.074  29.499 1.00 23.68  ? 6   CYS E CB   1 
ATOM   1138 S SG   . CYS E 1 6  ? 18.171 -0.376 30.214 1.00 23.44  ? 6   CYS E SG   1 
ATOM   1139 H H    . CYS E 1 6  ? 19.492 2.107  28.073 1.00 24.16  ? 6   CYS E H    1 
ATOM   1140 H HA   . CYS E 1 6  ? 17.316 0.602  27.508 1.00 25.91  ? 6   CYS E HA   1 
ATOM   1141 H HB2  . CYS E 1 6  ? 17.622 1.849  30.017 1.00 28.32  ? 6   CYS E HB2  1 
ATOM   1142 H HB3  . CYS E 1 6  ? 16.396 0.942  29.581 1.00 28.32  ? 6   CYS E HB3  1 
ATOM   1143 N N    . GLU E 1 7  ? 15.724 2.478  27.313 1.00 24.83  ? 7   GLU E N    1 
ATOM   1144 C CA   . GLU E 1 7  ? 14.902 3.618  26.943 1.00 33.19  ? 7   GLU E CA   1 
ATOM   1145 C C    . GLU E 1 7  ? 14.586 4.451  28.173 1.00 40.40  ? 7   GLU E C    1 
ATOM   1146 O O    . GLU E 1 7  ? 14.222 3.921  29.227 1.00 28.15  ? 7   GLU E O    1 
ATOM   1147 C CB   . GLU E 1 7  ? 13.600 3.154  26.292 1.00 29.14  ? 7   GLU E CB   1 
ATOM   1148 C CG   . GLU E 1 7  ? 13.782 2.363  25.006 1.00 45.44  ? 7   GLU E CG   1 
ATOM   1149 C CD   . GLU E 1 7  ? 12.493 1.703  24.537 1.00 47.40  ? 7   GLU E CD   1 
ATOM   1150 O OE1  . GLU E 1 7  ? 11.711 1.228  25.392 1.00 44.93  ? 7   GLU E OE1  1 
ATOM   1151 O OE2  . GLU E 1 7  ? 12.262 1.666  23.312 1.00 72.06  ? 7   GLU E OE2  1 
ATOM   1152 H H    . GLU E 1 7  ? 15.297 1.731  27.331 1.00 29.81  ? 7   GLU E H    1 
ATOM   1153 H HA   . GLU E 1 7  ? 15.383 4.174  26.310 1.00 39.85  ? 7   GLU E HA   1 
ATOM   1154 H HB2  . GLU E 1 7  ? 13.123 2.589  26.920 1.00 34.99  ? 7   GLU E HB2  1 
ATOM   1155 H HB3  . GLU E 1 7  ? 13.063 3.935  26.083 1.00 34.99  ? 7   GLU E HB3  1 
ATOM   1156 H HG2  . GLU E 1 7  ? 14.085 2.962  24.306 1.00 54.55  ? 7   GLU E HG2  1 
ATOM   1157 H HG3  . GLU E 1 7  ? 14.440 1.665  25.154 1.00 54.55  ? 7   GLU E HG3  1 
ATOM   1158 N N    . ASP E 1 8  ? 14.743 5.757  28.034 1.00 29.78  ? 8   ASP E N    1 
ATOM   1159 C CA   . ASP E 1 8  ? 14.230 6.703  29.004 1.00 38.42  ? 8   ASP E CA   1 
ATOM   1160 C C    . ASP E 1 8  ? 13.368 7.698  28.245 1.00 43.05  ? 8   ASP E C    1 
ATOM   1161 O O    . ASP E 1 8  ? 13.885 8.575  27.555 1.00 36.83  ? 8   ASP E O    1 
ATOM   1162 C CB   . ASP E 1 8  ? 15.368 7.405  29.740 1.00 55.13  ? 8   ASP E CB   1 
ATOM   1163 C CG   . ASP E 1 8  ? 14.872 8.428  30.741 1.00 68.46  ? 8   ASP E CG   1 
ATOM   1164 O OD1  . ASP E 1 8  ? 13.655 8.445  31.027 1.00 68.80  ? 8   ASP E OD1  1 
ATOM   1165 O OD2  . ASP E 1 8  ? 15.701 9.219  31.238 1.00 70.11  ? 8   ASP E OD2  1 
ATOM   1166 H H    . ASP E 1 8  ? 15.152 6.126  27.374 1.00 35.75  ? 8   ASP E H    1 
ATOM   1167 H HA   . ASP E 1 8  ? 13.676 6.241  29.652 1.00 46.12  ? 8   ASP E HA   1 
ATOM   1168 H HB2  . ASP E 1 8  ? 15.890 6.743  30.221 1.00 66.17  ? 8   ASP E HB2  1 
ATOM   1169 H HB3  . ASP E 1 8  ? 15.928 7.864  29.094 1.00 66.17  ? 8   ASP E HB3  1 
HETATM 1170 N N    . ORN E 1 9  ? 11.396 9.649  23.821 1.00 82.44  ? 9   ORN E N    1 
HETATM 1171 C CA   . ORN E 1 9  ? 12.413 9.034  24.717 1.00 61.26  ? 9   ORN E CA   1 
HETATM 1172 C CB   . ORN E 1 9  ? 11.898 7.707  25.302 1.00 55.27  ? 9   ORN E CB   1 
HETATM 1173 C CG   . ORN E 1 9  ? 10.699 7.868  26.261 1.00 72.32  ? 9   ORN E CG   1 
HETATM 1174 C CD   . ORN E 1 9  ? 11.080 8.407  27.657 1.00 59.03  ? 9   ORN E CD   1 
HETATM 1175 N NE   . ORN E 1 9  ? 12.006 7.526  28.342 1.00 54.87  ? 9   ORN E NE   1 
HETATM 1176 C C    . ORN E 1 9  ? 13.740 8.787  23.957 1.00 56.73  ? 9   ORN E C    1 
HETATM 1177 O O    . ORN E 1 9  ? 13.842 8.952  22.739 1.00 70.19  ? 9   ORN E O    1 
HETATM 1178 H H2   . ORN E 1 9  ? 10.982 8.985  23.163 1.00 98.95  ? 9   ORN E H2   1 
HETATM 1179 H H    . ORN E 1 9  ? 11.771 10.406 23.243 1.00 98.95  ? 9   ORN E H    1 
HETATM 1180 H H3   . ORN E 1 9  ? 10.606 10.058 24.326 1.00 98.95  ? 9   ORN E H3   1 
HETATM 1181 H HA   . ORN E 1 9  ? 12.613 9.780  25.491 1.00 73.53  ? 9   ORN E HA   1 
HETATM 1182 H HB2  . ORN E 1 9  ? 11.604 7.030  24.488 1.00 66.35  ? 9   ORN E HB2  1 
HETATM 1183 H HB3  . ORN E 1 9  ? 12.717 7.264  25.886 1.00 66.35  ? 9   ORN E HB3  1 
HETATM 1184 H HG2  . ORN E 1 9  ? 10.221 6.890  26.388 1.00 86.81  ? 9   ORN E HG2  1 
HETATM 1185 H HG3  . ORN E 1 9  ? 9.975  8.552  25.804 1.00 86.81  ? 9   ORN E HG3  1 
HETATM 1186 H HD2  . ORN E 1 9  ? 11.547 9.390  27.539 1.00 70.86  ? 9   ORN E HD2  1 
HETATM 1187 H HD3  . ORN E 1 9  ? 10.169 8.484  28.258 1.00 70.86  ? 9   ORN E HD3  1 
HETATM 1188 H HE1  . ORN E 1 9  ? 11.584 6.792  28.908 1.00 65.86  ? 9   ORN E HE1  1 
ATOM   1189 N N    . ALA E 1 10 ? 14.783 8.366  24.740 1.00 32.90  ? 10  ALA E N    1 
ATOM   1190 C CA   . ALA E 1 10 ? 16.097 8.094  24.185 1.00 34.50  ? 10  ALA E CA   1 
ATOM   1191 C C    . ALA E 1 10 ? 16.713 6.859  24.833 1.00 23.96  ? 10  ALA E C    1 
ATOM   1192 O O    . ALA E 1 10 ? 16.232 6.379  25.862 1.00 33.18  ? 10  ALA E O    1 
ATOM   1193 C CB   . ALA E 1 10 ? 17.000 9.299  24.373 1.00 31.01  ? 10  ALA E CB   1 
ATOM   1194 H H    . ALA E 1 10 ? 14.732 8.247  25.590 1.00 39.50  ? 10  ALA E H    1 
ATOM   1195 H HA   . ALA E 1 10 ? 16.011 7.926  23.234 1.00 41.42  ? 10  ALA E HA   1 
ATOM   1196 H HB1  . ALA E 1 10 ? 17.872 9.101  23.998 1.00 37.23  ? 10  ALA E HB1  1 
ATOM   1197 H HB2  . ALA E 1 10 ? 16.609 10.061 23.918 1.00 37.23  ? 10  ALA E HB2  1 
ATOM   1198 H HB3  . ALA E 1 10 ? 17.082 9.486  25.322 1.00 37.23  ? 10  ALA E HB3  1 
HETATM 1199 N N    . CHG E 1 11 ? 17.788 6.386  24.210 1.00 25.30  ? 11  CHG E N    1 
HETATM 1200 C CA   . CHG E 1 11 ? 18.456 5.379  24.569 1.00 23.34  ? 11  CHG E CA   1 
HETATM 1201 C C    . CHG E 1 11 ? 19.575 5.742  25.193 1.00 23.60  ? 11  CHG E C    1 
HETATM 1202 O O    . CHG E 1 11 ? 20.377 6.393  24.611 1.00 20.29  ? 11  CHG E O    1 
HETATM 1203 C C1   . CHG E 1 11 ? 18.633 4.258  23.541 1.00 23.17  ? 11  CHG E C1   1 
HETATM 1204 C C2   . CHG E 1 11 ? 19.425 3.062  24.080 1.00 29.16  ? 11  CHG E C2   1 
HETATM 1205 C C3   . CHG E 1 11 ? 19.641 2.036  22.966 1.00 31.86  ? 11  CHG E C3   1 
HETATM 1206 C C4   . CHG E 1 11 ? 18.303 1.578  22.380 1.00 32.93  ? 11  CHG E C4   1 
HETATM 1207 C C5   . CHG E 1 11 ? 17.470 2.771  21.917 1.00 31.18  ? 11  CHG E C5   1 
HETATM 1208 C C6   . CHG E 1 11 ? 17.269 3.761  23.062 1.00 39.79  ? 11  CHG E C6   1 
HETATM 1209 H H2   . CHG E 1 11 ? 18.929 2.649  24.805 1.00 35.02  ? 11  CHG E H2   1 
HETATM 1210 H HN   . CHG E 1 11 ? 18.073 6.780  23.501 1.00 30.38  ? 11  CHG E HN   1 
HETATM 1211 H HA   . CHG E 1 11 ? 17.909 4.895  25.207 1.00 28.02  ? 11  CHG E HA   1 
HETATM 1212 H H1   . CHG E 1 11 ? 19.110 4.615  22.776 1.00 27.83  ? 11  CHG E H1   1 
HETATM 1213 H H2A  . CHG E 1 11 ? 20.286 3.368  24.406 1.00 35.02  ? 11  CHG E H2A  1 
HETATM 1214 H H3   . CHG E 1 11 ? 20.109 1.267  23.328 1.00 38.26  ? 11  CHG E H3   1 
HETATM 1215 H H3A  . CHG E 1 11 ? 20.175 2.438  22.263 1.00 38.26  ? 11  CHG E H3A  1 
HETATM 1216 H H4   . CHG E 1 11 ? 17.810 1.090  23.058 1.00 39.54  ? 11  CHG E H4   1 
HETATM 1217 H H4A  . CHG E 1 11 ? 18.472 0.996  21.622 1.00 39.54  ? 11  CHG E H4A  1 
HETATM 1218 H H5   . CHG E 1 11 ? 16.604 2.456  21.613 1.00 37.44  ? 11  CHG E H5   1 
HETATM 1219 H H5A  . CHG E 1 11 ? 17.928 3.216  21.187 1.00 37.44  ? 11  CHG E H5A  1 
HETATM 1220 H H6   . CHG E 1 11 ? 16.811 3.320  23.794 1.00 47.77  ? 11  CHG E H6   1 
HETATM 1221 H H6A  . CHG E 1 11 ? 16.743 4.514  22.750 1.00 47.77  ? 11  CHG E H6A  1 
ATOM   1222 N N    . ILE E 1 12 ? 19.754 5.340  26.449 1.00 20.23  ? 12  ILE E N    1 
ATOM   1223 C CA   . ILE E 1 12 ? 20.927 5.757  27.227 1.00 21.12  ? 12  ILE E CA   1 
ATOM   1224 C C    . ILE E 1 12 ? 21.514 4.586  28.015 1.00 20.60  ? 12  ILE E C    1 
ATOM   1225 O O    . ILE E 1 12 ? 20.905 3.522  28.109 1.00 22.97  ? 12  ILE E O    1 
ATOM   1226 C CB   . ILE E 1 12 ? 20.564 6.926  28.172 1.00 24.07  ? 12  ILE E CB   1 
ATOM   1227 C CG1  . ILE E 1 12 ? 19.325 6.558  29.000 1.00 34.36  ? 12  ILE E CG1  1 
ATOM   1228 C CG2  . ILE E 1 12 ? 20.355 8.210  27.364 1.00 23.57  ? 12  ILE E CG2  1 
ATOM   1229 C CD1  . ILE E 1 12 ? 18.758 7.683  29.831 1.00 76.69  ? 12  ILE E CD1  1 
ATOM   1230 H H    . ILE E 1 12 ? 19.213 4.826  26.876 1.00 24.17  ? 12  ILE E H    1 
ATOM   1231 H HA   . ILE E 1 12 ? 21.611 6.072  26.615 1.00 25.36  ? 12  ILE E HA   1 
ATOM   1232 H HB   . ILE E 1 12 ? 21.306 7.067  28.780 1.00 28.90  ? 12  ILE E HB   1 
ATOM   1233 H HG12 . ILE E 1 12 ? 18.627 6.259  28.396 1.00 41.25  ? 12  ILE E HG12 1 
ATOM   1234 H HG13 . ILE E 1 12 ? 19.561 5.838  29.605 1.00 41.25  ? 12  ILE E HG13 1 
ATOM   1235 H HG21 . ILE E 1 12 ? 20.128 8.932  27.972 1.00 28.18  ? 12  ILE E HG21 1 
ATOM   1236 H HG22 . ILE E 1 12 ? 21.175 8.422  26.890 1.00 28.18  ? 12  ILE E HG22 1 
ATOM   1237 H HG23 . ILE E 1 12 ? 19.633 8.071  26.731 1.00 28.18  ? 12  ILE E HG23 1 
ATOM   1238 H HD11 . ILE E 1 12 ? 17.983 7.357  30.316 1.00 92.05  ? 12  ILE E HD11 1 
ATOM   1239 H HD12 . ILE E 1 12 ? 19.435 7.987  30.455 1.00 92.05  ? 12  ILE E HD12 1 
ATOM   1240 H HD13 . ILE E 1 12 ? 18.499 8.410  29.243 1.00 92.05  ? 12  ILE E HD13 1 
ATOM   1241 N N    . GLY E 1 13 ? 22.708 4.780  28.572 1.00 21.94  ? 13  GLY E N    1 
ATOM   1242 C CA   . GLY E 1 13 ? 23.258 3.804  29.495 1.00 22.12  ? 13  GLY E CA   1 
ATOM   1243 C C    . GLY E 1 13 ? 22.679 4.001  30.886 1.00 23.79  ? 13  GLY E C    1 
ATOM   1244 O O    . GLY E 1 13 ? 22.476 5.122  31.348 1.00 25.96  ? 13  GLY E O    1 
ATOM   1245 H H    . GLY E 1 13 ? 23.211 5.462  28.430 1.00 26.35  ? 13  GLY E H    1 
ATOM   1246 H HA2  . GLY E 1 13 ? 23.047 2.908  29.191 1.00 26.57  ? 13  GLY E HA2  1 
ATOM   1247 H HA3  . GLY E 1 13 ? 24.222 3.901  29.540 1.00 26.57  ? 13  GLY E HA3  1 
ATOM   1248 N N    . LEU E 1 14 ? 22.358 2.890  31.538 1.00 23.64  ? 14  LEU E N    1 
ATOM   1249 C CA   . LEU E 1 14 ? 21.985 2.914  32.951 1.00 28.18  ? 14  LEU E CA   1 
ATOM   1250 C C    . LEU E 1 14 ? 22.962 2.091  33.776 1.00 33.48  ? 14  LEU E C    1 
ATOM   1251 O O    . LEU E 1 14 ? 23.251 0.935  33.446 1.00 24.81  ? 14  LEU E O    1 
ATOM   1252 C CB   . LEU E 1 14 ? 20.569 2.382  33.166 1.00 31.71  ? 14  LEU E CB   1 
ATOM   1253 C CG   . LEU E 1 14 ? 19.409 3.274  32.730 1.00 60.47  ? 14  LEU E CG   1 
ATOM   1254 C CD1  . LEU E 1 14 ? 18.105 2.524  32.911 1.00 60.97  ? 14  LEU E CD1  1 
ATOM   1255 C CD2  . LEU E 1 14 ? 19.399 4.564  33.525 1.00 56.06  ? 14  LEU E CD2  1 
ATOM   1256 H H    . LEU E 1 14 ? 22.348 2.105  31.186 1.00 28.26  ? 14  LEU E H    1 
ATOM   1257 H HA   . LEU E 1 14 ? 22.016 3.829  33.272 1.00 33.84  ? 14  LEU E HA   1 
ATOM   1258 H HB2  . LEU E 1 14 ? 20.485 1.548  32.679 1.00 38.08  ? 14  LEU E HB2  1 
ATOM   1259 H HB3  . LEU E 1 14 ? 20.454 2.209  34.114 1.00 38.08  ? 14  LEU E HB3  1 
ATOM   1260 H HG   . LEU E 1 14 ? 19.508 3.494  31.791 1.00 72.58  ? 14  LEU E HG   1 
ATOM   1261 H HD11 . LEU E 1 14 ? 17.372 3.095  32.633 1.00 73.18  ? 14  LEU E HD11 1 
ATOM   1262 H HD12 . LEU E 1 14 ? 18.125 1.721  32.367 1.00 73.18  ? 14  LEU E HD12 1 
ATOM   1263 H HD13 . LEU E 1 14 ? 18.004 2.287  33.846 1.00 73.18  ? 14  LEU E HD13 1 
ATOM   1264 H HD21 . LEU E 1 14 ? 18.654 5.111  33.228 1.00 67.30  ? 14  LEU E HD21 1 
ATOM   1265 H HD22 . LEU E 1 14 ? 19.301 4.354  34.467 1.00 67.30  ? 14  LEU E HD22 1 
ATOM   1266 H HD23 . LEU E 1 14 ? 20.234 5.034  33.375 1.00 67.30  ? 14  LEU E HD23 1 
HETATM 1267 N N    . ORN E 1 15 ? 23.458 2.691  34.854 1.00 28.69  ? 15  ORN E N    1 
HETATM 1268 C CA   . ORN E 1 15 ? 24.242 2.056  35.687 1.00 29.38  ? 15  ORN E CA   1 
HETATM 1269 C CB   . ORN E 1 15 ? 25.345 2.977  36.166 1.00 31.38  ? 15  ORN E CB   1 
HETATM 1270 C CG   . ORN E 1 15 ? 26.202 2.295  37.222 1.00 43.35  ? 15  ORN E CG   1 
HETATM 1271 C CD   . ORN E 1 15 ? 27.294 3.237  37.687 1.00 54.31  ? 15  ORN E CD   1 
HETATM 1272 N NE   . ORN E 1 15 ? 26.733 4.216  38.563 1.00 52.73  ? 15  ORN E NE   1 
HETATM 1273 C C    . ORN E 1 15 ? 23.563 1.439  36.676 1.00 31.11  ? 15  ORN E C    1 
HETATM 1274 O O    . ORN E 1 15 ? 22.869 2.106  37.423 1.00 33.80  ? 15  ORN E O    1 
HETATM 1275 H H    . ORN E 1 15 ? 23.266 3.564  35.044 1.00 34.33  ? 15  ORN E H    1 
HETATM 1276 H HA   . ORN E 1 15 ? 24.778 1.391  35.205 1.00 35.16  ? 15  ORN E HA   1 
HETATM 1277 H HB2  . ORN E 1 15 ? 24.956 3.799  36.526 1.00 37.68  ? 15  ORN E HB2  1 
HETATM 1278 H HB3  . ORN E 1 15 ? 25.918 3.199  35.406 1.00 37.68  ? 15  ORN E HB3  1 
HETATM 1279 H HG2  . ORN E 1 15 ? 26.611 1.496  36.835 1.00 52.04  ? 15  ORN E HG2  1 
HETATM 1280 H HG3  . ORN E 1 15 ? 25.644 2.037  37.983 1.00 52.04  ? 15  ORN E HG3  1 
HETATM 1281 H HD2  . ORN E 1 15 ? 27.699 3.678  36.912 1.00 65.19  ? 15  ORN E HD2  1 
HETATM 1282 H HD3  . ORN E 1 15 ? 27.979 2.727  38.169 1.00 65.19  ? 15  ORN E HD3  1 
HETATM 1283 H HE1  . ORN E 1 15 ? 26.094 4.698  38.113 1.00 63.30  ? 15  ORN E HE1  1 
HETATM 1284 H HE2  . ORN E 1 15 ? 26.350 3.798  39.285 1.00 63.30  ? 15  ORN E HE2  1 
HETATM 1285 H HN3  . ORN E 1 15 ? 27.395 4.782  38.852 1.00 63.30  ? 15  ORN E HN3  1 
ATOM   1286 N N    . VAL E 1 16 ? 23.710 0.129  36.817 1.00 30.18  ? 16  VAL E N    1 
ATOM   1287 C CA   . VAL E 1 16 ? 23.032 -0.632 37.863 1.00 37.10  ? 16  VAL E CA   1 
ATOM   1288 C C    . VAL E 1 16 ? 24.039 -1.456 38.651 1.00 48.01  ? 16  VAL E C    1 
ATOM   1289 O O    . VAL E 1 16 ? 24.464 -2.530 38.221 1.00 32.90  ? 16  VAL E O    1 
ATOM   1290 C CB   . VAL E 1 16 ? 21.929 -1.531 37.271 1.00 32.58  ? 16  VAL E CB   1 
ATOM   1291 C CG1  . VAL E 1 16 ? 21.336 -2.431 38.340 1.00 39.30  ? 16  VAL E CG1  1 
ATOM   1292 C CG2  . VAL E 1 16 ? 20.842 -0.678 36.653 1.00 45.65  ? 16  VAL E CG2  1 
ATOM   1293 H H    . VAL E 1 16 ? 24.204 -0.350 36.301 1.00 36.12  ? 16  VAL E H    1 
ATOM   1294 H HA   . VAL E 1 16 ? 22.610 -0.011 38.478 1.00 44.54  ? 16  VAL E HA   1 
ATOM   1295 H HB   . VAL E 1 16 ? 22.310 -2.091 36.576 1.00 39.11  ? 16  VAL E HB   1 
ATOM   1296 H HG11 . VAL E 1 16 ? 20.647 -2.984 37.940 1.00 47.18  ? 16  VAL E HG11 1 
ATOM   1297 H HG12 . VAL E 1 16 ? 22.039 -2.990 38.707 1.00 47.18  ? 16  VAL E HG12 1 
ATOM   1298 H HG13 . VAL E 1 16 ? 20.954 -1.879 39.040 1.00 47.18  ? 16  VAL E HG13 1 
ATOM   1299 H HG21 . VAL E 1 16 ? 20.157 -1.258 36.285 1.00 54.80  ? 16  VAL E HG21 1 
ATOM   1300 H HG22 . VAL E 1 16 ? 20.460 -0.108 37.339 1.00 54.80  ? 16  VAL E HG22 1 
ATOM   1301 H HG23 . VAL E 1 16 ? 21.229 -0.135 35.949 1.00 54.80  ? 16  VAL E HG23 1 
HETATM 1302 N N    . ORN F 1 1  ? 30.300 12.662 36.107 1.00 16.49  ? 1   ORN F N    1 
HETATM 1303 C CA   . ORN F 1 1  ? 31.020 13.426 35.116 1.00 14.27  ? 1   ORN F CA   1 
HETATM 1304 C CB   . ORN F 1 1  ? 30.200 14.696 34.783 1.00 15.60  ? 1   ORN F CB   1 
HETATM 1305 C CG   . ORN F 1 1  ? 28.880 14.407 34.001 1.00 15.60  ? 1   ORN F CG   1 
HETATM 1306 C CD   . ORN F 1 1  ? 29.146 13.961 32.557 1.00 18.40  ? 1   ORN F CD   1 
HETATM 1307 N NE   . ORN F 1 1  ? 29.827 14.995 31.838 1.00 17.37  ? 1   ORN F NE   1 
HETATM 1308 C C    . ORN F 1 1  ? 32.385 13.877 35.640 1.00 19.77  ? 1   ORN F C    1 
HETATM 1309 O O    . ORN F 1 1  ? 32.698 13.782 36.841 1.00 15.32  ? 1   ORN F O    1 
HETATM 1310 H H1   . ORN F 1 1  ? 29.496 12.158 35.724 1.00 19.81  ? 1   ORN F H1   1 
HETATM 1311 H H2   . ORN F 1 1  ? 30.874 11.948 36.563 1.00 19.81  ? 1   ORN F H2   1 
HETATM 1312 H H3   . ORN F 1 1  ? 29.926 13.235 36.868 1.00 19.81  ? 1   ORN F H3   1 
HETATM 1313 H HA   . ORN F 1 1  ? 31.176 12.766 34.258 1.00 17.02  ? 1   ORN F HA   1 
HETATM 1314 H HB2  . ORN F 1 1  ? 30.813 15.367 34.165 1.00 18.74  ? 1   ORN F HB2  1 
HETATM 1315 H HB3  . ORN F 1 1  ? 29.929 15.189 35.728 1.00 18.74  ? 1   ORN F HB3  1 
HETATM 1316 H HG2  . ORN F 1 1  ? 28.323 13.621 34.524 1.00 18.62  ? 1   ORN F HG2  1 
HETATM 1317 H HG3  . ORN F 1 1  ? 28.273 15.319 33.982 1.00 18.62  ? 1   ORN F HG3  1 
HETATM 1318 H HD2  . ORN F 1 1  ? 29.767 13.061 32.569 1.00 22.10  ? 1   ORN F HD2  1 
HETATM 1319 H HD3  . ORN F 1 1  ? 28.187 13.768 32.067 1.00 22.10  ? 1   ORN F HD3  1 
HETATM 1320 H HE1  . ORN F 1 1  ? 29.241 15.758 31.504 1.00 20.74  ? 1   ORN F HE1  1 
ATOM   1321 N N    . CYS F 1 2  ? 33.217 14.386 34.671 1.00 15.83  ? 2   CYS F N    1 
ATOM   1322 C CA   . CYS F 1 2  ? 34.527 14.952 34.965 1.00 19.31  ? 2   CYS F CA   1 
ATOM   1323 C C    . CYS F 1 2  ? 34.431 16.425 34.585 1.00 18.48  ? 2   CYS F C    1 
ATOM   1324 O O    . CYS F 1 2  ? 33.618 16.795 33.728 1.00 18.93  ? 2   CYS F O    1 
ATOM   1325 C CB   . CYS F 1 2  ? 35.653 14.273 34.190 1.00 16.77  ? 2   CYS F CB   1 
ATOM   1326 S SG   . CYS F 1 2  ? 36.001 12.558 34.686 1.00 20.57  ? 2   CYS F SG   1 
ATOM   1327 H H    . CYS F 1 2  ? 32.984 14.481 33.848 1.00 19.02  ? 2   CYS F H    1 
ATOM   1328 H HA   . CYS F 1 2  ? 34.712 14.883 35.915 1.00 23.20  ? 2   CYS F HA   1 
ATOM   1329 H HB2  . CYS F 1 2  ? 35.418 14.263 33.249 1.00 20.14  ? 2   CYS F HB2  1 
ATOM   1330 H HB3  . CYS F 1 2  ? 36.467 14.785 34.317 1.00 20.14  ? 2   CYS F HB3  1 
ATOM   1331 N N    . VAL F 1 3  ? 35.242 17.270 35.214 1.00 16.16  ? 3   VAL F N    1 
ATOM   1332 C CA   . VAL F 1 3  ? 35.355 18.670 34.832 1.00 16.99  ? 3   VAL F CA   1 
ATOM   1333 C C    . VAL F 1 3  ? 36.597 18.826 33.972 1.00 17.87  ? 3   VAL F C    1 
ATOM   1334 O O    . VAL F 1 3  ? 37.711 18.551 34.435 1.00 20.01  ? 3   VAL F O    1 
ATOM   1335 C CB   . VAL F 1 3  ? 35.436 19.590 36.061 1.00 20.40  ? 3   VAL F CB   1 
ATOM   1336 C CG1  . VAL F 1 3  ? 35.631 21.039 35.609 1.00 25.88  ? 3   VAL F CG1  1 
ATOM   1337 C CG2  . VAL F 1 3  ? 34.194 19.451 36.905 1.00 45.54  ? 3   VAL F CG2  1 
ATOM   1338 H H    . VAL F 1 3  ? 35.746 17.050 35.876 1.00 19.29  ? 3   VAL F H    1 
ATOM   1339 H HA   . VAL F 1 3  ? 34.582 18.925 34.306 1.00 20.29  ? 3   VAL F HA   1 
ATOM   1340 H HB   . VAL F 1 3  ? 36.200 19.335 36.602 1.00 24.50  ? 3   VAL F HB   1 
ATOM   1341 H HG11 . VAL F 1 3  ? 35.680 21.610 36.392 1.00 31.08  ? 3   VAL F HG11 1 
ATOM   1342 H HG12 . VAL F 1 3  ? 36.455 21.102 35.101 1.00 31.08  ? 3   VAL F HG12 1 
ATOM   1343 H HG13 . VAL F 1 3  ? 34.879 21.301 35.055 1.00 31.08  ? 3   VAL F HG13 1 
ATOM   1344 H HG21 . VAL F 1 3  ? 34.267 20.039 37.672 1.00 54.67  ? 3   VAL F HG21 1 
ATOM   1345 H HG22 . VAL F 1 3  ? 33.422 19.696 36.371 1.00 54.67  ? 3   VAL F HG22 1 
ATOM   1346 H HG23 . VAL F 1 3  ? 34.115 18.530 37.199 1.00 54.67  ? 3   VAL F HG23 1 
ATOM   1347 N N    . PHE F 1 4  ? 36.415 19.287 32.737 1.00 18.32  ? 4   PHE F N    1 
ATOM   1348 C CA   . PHE F 1 4  ? 37.529 19.617 31.858 1.00 19.34  ? 4   PHE F CA   1 
ATOM   1349 C C    . PHE F 1 4  ? 37.711 21.138 31.772 1.00 20.41  ? 4   PHE F C    1 
ATOM   1350 O O    . PHE F 1 4  ? 36.745 21.884 31.949 1.00 20.56  ? 4   PHE F O    1 
ATOM   1351 C CB   . PHE F 1 4  ? 37.305 19.076 30.446 1.00 19.59  ? 4   PHE F CB   1 
ATOM   1352 C CG   . PHE F 1 4  ? 37.480 17.591 30.299 1.00 34.38  ? 4   PHE F CG   1 
ATOM   1353 C CD1  . PHE F 1 4  ? 37.374 16.738 31.379 1.00 44.46  ? 4   PHE F CD1  1 
ATOM   1354 C CD2  . PHE F 1 4  ? 37.753 17.053 29.046 1.00 28.68  ? 4   PHE F CD2  1 
ATOM   1355 C CE1  . PHE F 1 4  ? 37.531 15.379 31.217 1.00 46.18  ? 4   PHE F CE1  1 
ATOM   1356 C CE2  . PHE F 1 4  ? 37.915 15.700 28.880 1.00 28.38  ? 4   PHE F CE2  1 
ATOM   1357 C CZ   . PHE F 1 4  ? 37.791 14.858 29.965 1.00 27.28  ? 4   PHE F CZ   1 
ATOM   1358 H H    . PHE F 1 4  ? 35.643 19.419 32.382 1.00 21.88  ? 4   PHE F H    1 
ATOM   1359 H HA   . PHE F 1 4  ? 38.345 19.229 32.211 1.00 23.11  ? 4   PHE F HA   1 
ATOM   1360 H HB2  . PHE F 1 4  ? 36.400 19.293 30.172 1.00 23.41  ? 4   PHE F HB2  1 
ATOM   1361 H HB3  . PHE F 1 4  ? 37.937 19.506 29.848 1.00 23.41  ? 4   PHE F HB3  1 
ATOM   1362 H HD1  . PHE F 1 4  ? 37.188 17.083 32.223 1.00 53.37  ? 4   PHE F HD1  1 
ATOM   1363 H HD2  . PHE F 1 4  ? 37.827 17.617 28.311 1.00 34.44  ? 4   PHE F HD2  1 
ATOM   1364 H HE1  . PHE F 1 4  ? 37.454 14.812 31.950 1.00 55.44  ? 4   PHE F HE1  1 
ATOM   1365 H HE2  . PHE F 1 4  ? 38.093 15.352 28.037 1.00 34.08  ? 4   PHE F HE2  1 
ATOM   1366 H HZ   . PHE F 1 4  ? 37.906 13.942 29.857 1.00 32.75  ? 4   PHE F HZ   1 
HETATM 1367 C C1   . MEA F 1 5  ? 40.012 20.820 31.004 1.00 39.60  ? 5   MEA F C1   1 
HETATM 1368 N N    . MEA F 1 5  ? 38.929 21.602 31.477 1.00 21.54  ? 5   MEA F N    1 
HETATM 1369 C CA   . MEA F 1 5  ? 39.144 23.028 31.260 1.00 29.13  ? 5   MEA F CA   1 
HETATM 1370 C C    . MEA F 1 5  ? 39.493 23.263 29.772 1.00 34.50  ? 5   MEA F C    1 
HETATM 1371 O O    . MEA F 1 5  ? 40.611 22.933 29.321 1.00 24.17  ? 5   MEA F O    1 
HETATM 1372 C CB   . MEA F 1 5  ? 40.201 23.587 32.114 1.00 35.30  ? 5   MEA F CB   1 
HETATM 1373 C CG   . MEA F 1 5  ? 39.870 23.287 33.583 1.00 50.51  ? 5   MEA F CG   1 
HETATM 1374 C CD1  . MEA F 1 5  ? 40.587 22.325 34.291 1.00 90.65  ? 5   MEA F CD1  1 
HETATM 1375 C CE1  . MEA F 1 5  ? 40.274 22.060 35.625 1.00 68.55  ? 5   MEA F CE1  1 
HETATM 1376 C CZ   . MEA F 1 5  ? 39.238 22.761 36.247 1.00 47.77  ? 5   MEA F CZ   1 
HETATM 1377 C CE2  . MEA F 1 5  ? 38.516 23.728 35.536 1.00 50.94  ? 5   MEA F CE2  1 
HETATM 1378 C CD2  . MEA F 1 5  ? 38.823 23.993 34.216 1.00 43.94  ? 5   MEA F CD2  1 
HETATM 1379 H HC1  . MEA F 1 5  ? 40.868 21.295 31.182 1.00 47.54  ? 5   MEA F HC1  1 
HETATM 1380 H HC2  . MEA F 1 5  ? 39.913 20.675 30.036 1.00 47.54  ? 5   MEA F HC2  1 
HETATM 1381 H HC3  . MEA F 1 5  ? 40.018 19.939 31.474 1.00 47.54  ? 5   MEA F HC3  1 
HETATM 1382 H HA   . MEA F 1 5  ? 38.299 23.504 31.460 1.00 34.97  ? 5   MEA F HA   1 
HETATM 1383 H HB1  . MEA F 1 5  ? 40.244 24.562 31.981 1.00 42.38  ? 5   MEA F HB1  1 
HETATM 1384 H HB2  . MEA F 1 5  ? 41.070 23.183 31.878 1.00 42.38  ? 5   MEA F HB2  1 
HETATM 1385 H HD1  . MEA F 1 5  ? 41.306 21.838 33.857 1.00 108.80 ? 5   MEA F HD1  1 
HETATM 1386 H HE1  . MEA F 1 5  ? 40.780 21.381 36.128 1.00 82.27  ? 5   MEA F HE1  1 
HETATM 1387 H HZ   . MEA F 1 5  ? 39.015 22.574 37.196 1.00 57.35  ? 5   MEA F HZ   1 
HETATM 1388 H HE2  . MEA F 1 5  ? 37.804 24.208 35.971 1.00 61.15  ? 5   MEA F HE2  1 
HETATM 1389 H HD2  . MEA F 1 5  ? 38.204 24.692 33.916 1.00 52.74  ? 5   MEA F HD2  1 
ATOM   1390 N N    . CYS F 1 6  ? 38.548 23.833 29.031 1.00 23.91  ? 6   CYS F N    1 
ATOM   1391 C CA   . CYS F 1 6  ? 38.690 23.962 27.586 1.00 24.70  ? 6   CYS F CA   1 
ATOM   1392 C C    . CYS F 1 6  ? 38.291 25.343 27.094 1.00 26.86  ? 6   CYS F C    1 
ATOM   1393 O O    . CYS F 1 6  ? 37.491 26.044 27.719 1.00 32.77  ? 6   CYS F O    1 
ATOM   1394 C CB   . CYS F 1 6  ? 37.846 22.897 26.886 1.00 29.02  ? 6   CYS F CB   1 
ATOM   1395 S SG   . CYS F 1 6  ? 38.077 21.252 27.586 1.00 23.72  ? 6   CYS F SG   1 
ATOM   1396 H H    . CYS F 1 6  ? 37.814 24.154 29.342 1.00 28.59  ? 6   CYS F H    1 
ATOM   1397 H HA   . CYS F 1 6  ? 39.618 23.814 27.346 1.00 29.55  ? 6   CYS F HA   1 
ATOM   1398 H HB2  . CYS F 1 6  ? 36.908 23.130 26.971 1.00 34.84  ? 6   CYS F HB2  1 
ATOM   1399 H HB3  . CYS F 1 6  ? 38.095 22.862 25.949 1.00 34.84  ? 6   CYS F HB3  1 
ATOM   1400 N N    . GLU F 1 7  ? 38.855 25.731 25.961 1.00 29.22  ? 7   GLU F N    1 
ATOM   1401 C CA   . GLU F 1 7  ? 38.541 27.018 25.369 1.00 33.76  ? 7   GLU F CA   1 
ATOM   1402 C C    . GLU F 1 7  ? 37.346 26.882 24.439 1.00 38.01  ? 7   GLU F C    1 
ATOM   1403 O O    . GLU F 1 7  ? 37.197 25.882 23.730 1.00 38.46  ? 7   GLU F O    1 
ATOM   1404 C CB   . GLU F 1 7  ? 39.746 27.592 24.622 1.00 42.01  ? 7   GLU F CB   1 
ATOM   1405 C CG   . GLU F 1 7  ? 40.394 26.658 23.628 1.00 53.35  ? 7   GLU F CG   1 
ATOM   1406 C CD   . GLU F 1 7  ? 41.620 27.273 22.969 1.00 73.61  ? 7   GLU F CD   1 
ATOM   1407 O OE1  . GLU F 1 7  ? 41.787 28.512 23.047 1.00 71.33  ? 7   GLU F OE1  1 
ATOM   1408 O OE2  . GLU F 1 7  ? 42.417 26.513 22.379 1.00 56.68  ? 7   GLU F OE2  1 
ATOM   1409 H H    . GLU F 1 7  ? 39.424 25.266 25.515 1.00 35.08  ? 7   GLU F H    1 
ATOM   1410 H HA   . GLU F 1 7  ? 38.302 27.640 26.075 1.00 40.54  ? 7   GLU F HA   1 
ATOM   1411 H HB2  . GLU F 1 7  ? 39.459 28.381 24.136 1.00 50.43  ? 7   GLU F HB2  1 
ATOM   1412 H HB3  . GLU F 1 7  ? 40.421 27.840 25.272 1.00 50.43  ? 7   GLU F HB3  1 
ATOM   1413 H HG2  . GLU F 1 7  ? 40.672 25.850 24.086 1.00 64.04  ? 7   GLU F HG2  1 
ATOM   1414 H HG3  . GLU F 1 7  ? 39.755 26.443 22.931 1.00 64.04  ? 7   GLU F HG3  1 
ATOM   1415 N N    . ASP F 1 8  ? 36.482 27.887 24.480 1.00 39.80  ? 8   ASP F N    1 
ATOM   1416 C CA   . ASP F 1 8  ? 35.290 27.948 23.653 1.00 53.21  ? 8   ASP F CA   1 
ATOM   1417 C C    . ASP F 1 8  ? 35.122 29.402 23.223 1.00 58.45  ? 8   ASP F C    1 
ATOM   1418 O O    . ASP F 1 8  ? 34.383 30.160 23.849 1.00 54.48  ? 8   ASP F O    1 
ATOM   1419 C CB   . ASP F 1 8  ? 34.070 27.435 24.428 1.00 46.68  ? 8   ASP F CB   1 
ATOM   1420 C CG   . ASP F 1 8  ? 32.802 27.444 23.599 1.00 69.16  ? 8   ASP F CG   1 
ATOM   1421 O OD1  . ASP F 1 8  ? 32.799 26.851 22.500 1.00 72.43  ? 8   ASP F OD1  1 
ATOM   1422 O OD2  . ASP F 1 8  ? 31.800 28.031 24.055 1.00 65.02  ? 8   ASP F OD2  1 
ATOM   1423 H H    . ASP F 1 8  ? 36.570 28.567 24.998 1.00 47.78  ? 8   ASP F H    1 
ATOM   1424 H HA   . ASP F 1 8  ? 35.410 27.400 22.862 1.00 63.87  ? 8   ASP F HA   1 
ATOM   1425 H HB2  . ASP F 1 8  ? 34.237 26.523 24.711 1.00 56.04  ? 8   ASP F HB2  1 
ATOM   1426 H HB3  . ASP F 1 8  ? 33.926 28.002 25.202 1.00 56.04  ? 8   ASP F HB3  1 
HETATM 1427 N N    . ORN F 1 9  ? 39.963 30.930 23.317 1.00 79.33  ? 9   ORN F N    1 
HETATM 1428 C CA   . ORN F 1 9  ? 39.231 32.234 23.260 1.00 88.13  ? 9   ORN F CA   1 
HETATM 1429 C CB   . ORN F 1 9  ? 38.139 32.199 22.120 1.00 71.19  ? 9   ORN F CB   1 
HETATM 1430 C CG   . ORN F 1 9  ? 36.630 32.108 22.547 1.00 72.40  ? 9   ORN F CG   1 
HETATM 1431 C CD   . ORN F 1 9  ? 35.826 31.175 21.625 1.00 66.66  ? 9   ORN F CD   1 
HETATM 1432 N NE   . ORN F 1 9  ? 35.868 29.803 22.133 1.00 71.67  ? 9   ORN F NE   1 
HETATM 1433 C C    . ORN F 1 9  ? 38.639 32.596 24.663 1.00 66.73  ? 9   ORN F C    1 
HETATM 1434 O O    . ORN F 1 9  ? 38.842 33.690 25.190 1.00 70.71  ? 9   ORN F O    1 
HETATM 1435 H H2   . ORN F 1 9  ? 39.341 30.118 23.319 1.00 95.22  ? 9   ORN F H2   1 
HETATM 1436 H H    . ORN F 1 9  ? 40.543 30.828 24.153 1.00 95.22  ? 9   ORN F H    1 
HETATM 1437 H H3   . ORN F 1 9  ? 40.596 30.786 22.527 1.00 95.22  ? 9   ORN F H3   1 
HETATM 1438 H HA   . ORN F 1 9  ? 40.004 32.979 23.049 1.00 105.78 ? 9   ORN F HA   1 
HETATM 1439 H HB2  . ORN F 1 9  ? 38.243 33.114 21.520 1.00 85.45  ? 9   ORN F HB2  1 
HETATM 1440 H HB3  . ORN F 1 9  ? 38.347 31.322 21.490 1.00 85.45  ? 9   ORN F HB3  1 
HETATM 1441 H HG2  . ORN F 1 9  ? 36.580 31.714 23.568 1.00 86.90  ? 9   ORN F HG2  1 
HETATM 1442 H HG3  . ORN F 1 9  ? 36.185 33.110 22.531 1.00 86.90  ? 9   ORN F HG3  1 
HETATM 1443 H HD2  . ORN F 1 9  ? 36.268 31.198 20.625 1.00 80.02  ? 9   ORN F HD2  1 
HETATM 1444 H HD3  . ORN F 1 9  ? 34.786 31.513 21.599 1.00 80.02  ? 9   ORN F HD3  1 
HETATM 1445 H HE1  . ORN F 1 9  ? 36.488 29.169 21.633 1.00 86.02  ? 9   ORN F HE1  1 
ATOM   1446 N N    . ALA F 1 10 ? 37.919 31.602 25.277 1.00 103.89 ? 10  ALA F N    1 
ATOM   1447 C CA   . ALA F 1 10 ? 37.296 31.780 26.581 1.00 57.20  ? 10  ALA F CA   1 
ATOM   1448 C C    . ALA F 1 10 ? 37.333 30.462 27.322 1.00 48.54  ? 10  ALA F C    1 
ATOM   1449 O O    . ALA F 1 10 ? 36.554 29.550 27.041 1.00 55.21  ? 10  ALA F O    1 
ATOM   1450 C CB   . ALA F 1 10 ? 35.872 32.273 26.438 1.00 55.92  ? 10  ALA F CB   1 
ATOM   1451 H H    . ALA F 1 10 ? 37.767 30.832 24.925 1.00 124.69 ? 10  ALA F H    1 
ATOM   1452 H HA   . ALA F 1 10 ? 37.798 32.434 27.092 1.00 68.66  ? 10  ALA F HA   1 
ATOM   1453 H HB1  . ALA F 1 10 ? 35.486 32.382 27.322 1.00 67.12  ? 10  ALA F HB1  1 
ATOM   1454 H HB2  . ALA F 1 10 ? 35.878 33.125 25.973 1.00 67.12  ? 10  ALA F HB2  1 
ATOM   1455 H HB3  . ALA F 1 10 ? 35.362 31.623 25.931 1.00 67.12  ? 10  ALA F HB3  1 
HETATM 1456 N N    . CHG F 1 11 ? 38.267 30.380 28.259 1.00 48.09  ? 11  CHG F N    1 
HETATM 1457 C CA   . CHG F 1 11 ? 38.478 29.343 28.927 1.00 33.33  ? 11  CHG F CA   1 
HETATM 1458 C C    . CHG F 1 11 ? 37.575 29.078 29.870 1.00 35.41  ? 11  CHG F C    1 
HETATM 1459 O O    . CHG F 1 11 ? 37.428 29.823 30.786 1.00 32.73  ? 11  CHG F O    1 
HETATM 1460 C C1   . CHG F 1 11 ? 39.943 29.118 29.282 1.00 42.49  ? 11  CHG F C1   1 
HETATM 1461 C C2   . CHG F 1 11 ? 40.197 27.706 29.781 1.00 44.24  ? 11  CHG F C2   1 
HETATM 1462 C C3   . CHG F 1 11 ? 41.655 27.621 30.215 1.00 30.26  ? 11  CHG F C3   1 
HETATM 1463 C C4   . CHG F 1 11 ? 42.606 27.922 29.062 1.00 38.74  ? 11  CHG F C4   1 
HETATM 1464 C C5   . CHG F 1 11 ? 42.288 29.262 28.399 1.00 48.76  ? 11  CHG F C5   1 
HETATM 1465 C C6   . CHG F 1 11 ? 40.808 29.354 28.045 1.00 35.54  ? 11  CHG F C6   1 
HETATM 1466 H H2   . CHG F 1 11 ? 40.031 27.071 29.067 1.00 53.11  ? 11  CHG F H2   1 
HETATM 1467 H HN   . CHG F 1 11 ? 38.766 31.056 28.439 1.00 57.73  ? 11  CHG F HN   1 
HETATM 1468 H HA   . CHG F 1 11 ? 38.413 28.618 28.286 1.00 40.02  ? 11  CHG F HA   1 
HETATM 1469 H H1   . CHG F 1 11 ? 40.204 29.747 29.973 1.00 51.01  ? 11  CHG F H1   1 
HETATM 1470 H H2A  . CHG F 1 11 ? 39.619 27.517 30.536 1.00 53.11  ? 11  CHG F H2A  1 
HETATM 1471 H H3   . CHG F 1 11 ? 41.833 26.726 30.545 1.00 36.21  ? 11  CHG F H3   1 
HETATM 1472 H H3A  . CHG F 1 11 ? 41.809 28.262 30.927 1.00 36.21  ? 11  CHG F H3A  1 
HETATM 1473 H H4   . CHG F 1 11 ? 42.530 27.218 28.400 1.00 46.51  ? 11  CHG F H4   1 
HETATM 1474 H H4A  . CHG F 1 11 ? 43.514 27.947 29.402 1.00 46.51  ? 11  CHG F H4A  1 
HETATM 1475 H H5   . CHG F 1 11 ? 42.815 29.349 27.589 1.00 58.53  ? 11  CHG F H5   1 
HETATM 1476 H H5A  . CHG F 1 11 ? 42.514 29.981 29.010 1.00 58.53  ? 11  CHG F H5A  1 
HETATM 1477 H H6   . CHG F 1 11 ? 40.598 28.683 27.377 1.00 42.66  ? 11  CHG F H6   1 
HETATM 1478 H H6A  . CHG F 1 11 ? 40.620 30.237 27.689 1.00 42.66  ? 11  CHG F H6A  1 
ATOM   1479 N N    . ILE F 1 12 ? 36.887 27.945 29.756 1.00 29.38  ? 12  ILE F N    1 
ATOM   1480 C CA   . ILE F 1 12 ? 35.836 27.601 30.717 1.00 30.52  ? 12  ILE F CA   1 
ATOM   1481 C C    . ILE F 1 12 ? 35.963 26.180 31.270 1.00 27.54  ? 12  ILE F C    1 
ATOM   1482 O O    . ILE F 1 12 ? 36.661 25.335 30.711 1.00 27.56  ? 12  ILE F O    1 
ATOM   1483 C CB   . ILE F 1 12 ? 34.432 27.801 30.089 1.00 45.85  ? 12  ILE F CB   1 
ATOM   1484 C CG1  . ILE F 1 12 ? 34.293 27.043 28.762 1.00 37.46  ? 12  ILE F CG1  1 
ATOM   1485 C CG2  . ILE F 1 12 ? 34.160 29.280 29.880 1.00 60.08  ? 12  ILE F CG2  1 
ATOM   1486 C CD1  . ILE F 1 12 ? 33.757 25.647 28.898 1.00 58.69  ? 12  ILE F CD1  1 
ATOM   1487 H H    . ILE F 1 12 ? 37.006 27.361 29.136 1.00 35.28  ? 12  ILE F H    1 
ATOM   1488 H HA   . ILE F 1 12 ? 35.903 28.209 31.470 1.00 36.64  ? 12  ILE F HA   1 
ATOM   1489 H HB   . ILE F 1 12 ? 33.771 27.454 30.708 1.00 55.04  ? 12  ILE F HB   1 
ATOM   1490 H HG12 . ILE F 1 12 ? 33.689 27.536 28.185 1.00 44.98  ? 12  ILE F HG12 1 
ATOM   1491 H HG13 . ILE F 1 12 ? 35.167 26.983 28.345 1.00 44.98  ? 12  ILE F HG13 1 
ATOM   1492 H HG21 . ILE F 1 12 ? 33.279 29.386 29.487 1.00 72.12  ? 12  ILE F HG21 1 
ATOM   1493 H HG22 . ILE F 1 12 ? 34.196 29.732 30.737 1.00 72.12  ? 12  ILE F HG22 1 
ATOM   1494 H HG23 . ILE F 1 12 ? 34.834 29.644 29.285 1.00 72.12  ? 12  ILE F HG23 1 
ATOM   1495 H HD11 . ILE F 1 12 ? 33.701 25.243 28.018 1.00 70.45  ? 12  ILE F HD11 1 
ATOM   1496 H HD12 . ILE F 1 12 ? 34.356 25.133 29.462 1.00 70.45  ? 12  ILE F HD12 1 
ATOM   1497 H HD13 . ILE F 1 12 ? 32.875 25.686 29.301 1.00 70.45  ? 12  ILE F HD13 1 
ATOM   1498 N N    . GLY F 1 13 ? 35.291 25.940 32.395 1.00 25.57  ? 13  GLY F N    1 
ATOM   1499 C CA   . GLY F 1 13 ? 35.069 24.584 32.853 1.00 23.61  ? 13  GLY F CA   1 
ATOM   1500 C C    . GLY F 1 13 ? 33.969 23.942 32.036 1.00 25.66  ? 13  GLY F C    1 
ATOM   1501 O O    . GLY F 1 13 ? 32.992 24.583 31.655 1.00 25.76  ? 13  GLY F O    1 
ATOM   1502 H H    . GLY F 1 13 ? 34.957 26.547 32.905 1.00 30.71  ? 13  GLY F H    1 
ATOM   1503 H HA2  . GLY F 1 13 ? 35.881 24.063 32.753 1.00 28.35  ? 13  GLY F HA2  1 
ATOM   1504 H HA3  . GLY F 1 13 ? 34.809 24.587 33.787 1.00 28.35  ? 13  GLY F HA3  1 
ATOM   1505 N N    . LEU F 1 14 ? 34.155 22.668 31.730 1.00 21.12  ? 14  LEU F N    1 
ATOM   1506 C CA   . LEU F 1 14 ? 33.171 21.915 30.977 1.00 20.85  ? 14  LEU F CA   1 
ATOM   1507 C C    . LEU F 1 14 ? 32.749 20.702 31.794 1.00 19.32  ? 14  LEU F C    1 
ATOM   1508 O O    . LEU F 1 14 ? 33.604 19.984 32.297 1.00 18.35  ? 14  LEU F O    1 
ATOM   1509 C CB   . LEU F 1 14 ? 33.744 21.500 29.625 1.00 21.17  ? 14  LEU F CB   1 
ATOM   1510 C CG   . LEU F 1 14 ? 32.827 20.748 28.666 1.00 43.44  ? 14  LEU F CG   1 
ATOM   1511 C CD1  . LEU F 1 14 ? 31.702 21.647 28.174 1.00 62.02  ? 14  LEU F CD1  1 
ATOM   1512 C CD2  . LEU F 1 14 ? 33.635 20.204 27.499 1.00 49.51  ? 14  LEU F CD2  1 
ATOM   1513 H H    . LEU F 1 14 ? 34.852 22.213 31.949 1.00 25.25  ? 14  LEU F H    1 
ATOM   1514 H HA   . LEU F 1 14 ? 32.389 22.469 30.822 1.00 24.92  ? 14  LEU F HA   1 
ATOM   1515 H HB2  . LEU F 1 14 ? 34.037 22.302 29.166 1.00 25.30  ? 14  LEU F HB2  1 
ATOM   1516 H HB3  . LEU F 1 14 ? 34.512 20.930 29.789 1.00 25.30  ? 14  LEU F HB3  1 
ATOM   1517 H HG   . LEU F 1 14 ? 32.430 19.996 29.133 1.00 52.15  ? 14  LEU F HG   1 
ATOM   1518 H HD11 . LEU F 1 14 ? 31.138 21.142 27.568 1.00 74.44  ? 14  LEU F HD11 1 
ATOM   1519 H HD12 . LEU F 1 14 ? 31.183 21.949 28.936 1.00 74.44  ? 14  LEU F HD12 1 
ATOM   1520 H HD13 . LEU F 1 14 ? 32.086 22.409 27.712 1.00 74.44  ? 14  LEU F HD13 1 
ATOM   1521 H HD21 . LEU F 1 14 ? 33.040 19.729 26.898 1.00 59.43  ? 14  LEU F HD21 1 
ATOM   1522 H HD22 . LEU F 1 14 ? 34.054 20.945 27.033 1.00 59.43  ? 14  LEU F HD22 1 
ATOM   1523 H HD23 . LEU F 1 14 ? 34.314 19.600 27.839 1.00 59.43  ? 14  LEU F HD23 1 
HETATM 1524 N N    . ORN F 1 15 ? 31.435 20.506 31.939 1.00 23.18  ? 15  ORN F N    1 
HETATM 1525 C CA   . ORN F 1 15 ? 30.937 19.420 32.499 1.00 30.69  ? 15  ORN F CA   1 
HETATM 1526 C CB   . ORN F 1 15 ? 29.601 19.695 33.177 1.00 23.10  ? 15  ORN F CB   1 
HETATM 1527 C CG   . ORN F 1 15 ? 28.868 18.413 33.594 1.00 36.87  ? 15  ORN F CG   1 
HETATM 1528 C CD   . ORN F 1 15 ? 27.448 18.686 34.082 1.00 25.53  ? 15  ORN F CD   1 
HETATM 1529 N NE   . ORN F 1 15 ? 26.530 18.866 32.996 1.00 23.93  ? 15  ORN F NE   1 
HETATM 1530 C C    . ORN F 1 15 ? 30.893 18.379 31.636 1.00 22.71  ? 15  ORN F C    1 
HETATM 1531 O O    . ORN F 1 15 ? 30.057 18.400 30.756 1.00 22.79  ? 15  ORN F O    1 
HETATM 1532 H H    . ORN F 1 15 ? 30.833 21.129 31.648 1.00 27.84  ? 15  ORN F H    1 
HETATM 1533 H HA   . ORN F 1 15 ? 31.472 19.162 33.280 1.00 36.84  ? 15  ORN F HA   1 
HETATM 1534 H HB2  . ORN F 1 15 ? 29.035 20.214 32.572 1.00 27.74  ? 15  ORN F HB2  1 
HETATM 1535 H HB3  . ORN F 1 15 ? 29.768 20.222 33.983 1.00 27.74  ? 15  ORN F HB3  1 
HETATM 1536 H HG2  . ORN F 1 15 ? 29.372 17.988 34.317 1.00 44.26  ? 15  ORN F HG2  1 
HETATM 1537 H HG3  . ORN F 1 15 ? 28.830 17.803 32.832 1.00 44.26  ? 15  ORN F HG3  1 
HETATM 1538 H HD2  . ORN F 1 15 ? 27.450 19.492 34.640 1.00 30.65  ? 15  ORN F HD2  1 
HETATM 1539 H HD3  . ORN F 1 15 ? 27.149 17.925 34.623 1.00 30.65  ? 15  ORN F HD3  1 
HETATM 1540 H HE1  . ORN F 1 15 ? 26.793 19.585 32.489 1.00 28.73  ? 15  ORN F HE1  1 
HETATM 1541 H HE2  . ORN F 1 15 ? 26.521 18.111 32.475 1.00 28.73  ? 15  ORN F HE2  1 
HETATM 1542 H HN3  . ORN F 1 15 ? 25.688 19.019 33.329 1.00 28.73  ? 15  ORN F HN3  1 
ATOM   1543 N N    . VAL F 1 16 ? 31.722 17.355 31.784 1.00 18.95  ? 16  VAL F N    1 
ATOM   1544 C CA   . VAL F 1 16 ? 31.748 16.185 30.906 1.00 18.70  ? 16  VAL F CA   1 
ATOM   1545 C C    . VAL F 1 16 ? 31.188 14.984 31.663 1.00 19.44  ? 16  VAL F C    1 
ATOM   1546 O O    . VAL F 1 16 ? 31.918 14.076 32.073 1.00 16.66  ? 16  VAL F O    1 
ATOM   1547 C CB   . VAL F 1 16 ? 33.172 15.929 30.399 1.00 22.87  ? 16  VAL F CB   1 
ATOM   1548 C CG1  . VAL F 1 16 ? 33.189 14.789 29.380 1.00 26.59  ? 16  VAL F CG1  1 
ATOM   1549 C CG2  . VAL F 1 16 ? 33.736 17.221 29.802 1.00 21.79  ? 16  VAL F CG2  1 
ATOM   1550 H H    . VAL F 1 16 ? 32.313 17.336 32.409 1.00 22.76  ? 16  VAL F H    1 
ATOM   1551 H HA   . VAL F 1 16 ? 31.179 16.350 30.138 1.00 22.46  ? 16  VAL F HA   1 
ATOM   1552 H HB   . VAL F 1 16 ? 33.734 15.673 31.147 1.00 27.47  ? 16  VAL F HB   1 
ATOM   1553 H HG11 . VAL F 1 16 ? 34.101 14.650 29.077 1.00 31.93  ? 16  VAL F HG11 1 
ATOM   1554 H HG12 . VAL F 1 16 ? 32.854 13.983 29.802 1.00 31.93  ? 16  VAL F HG12 1 
ATOM   1555 H HG13 . VAL F 1 16 ? 32.624 15.029 28.629 1.00 31.93  ? 16  VAL F HG13 1 
ATOM   1556 H HG21 . VAL F 1 16 ? 34.636 17.054 29.483 1.00 26.17  ? 16  VAL F HG21 1 
ATOM   1557 H HG22 . VAL F 1 16 ? 33.170 17.500 29.065 1.00 26.17  ? 16  VAL F HG22 1 
ATOM   1558 H HG23 . VAL F 1 16 ? 33.749 17.906 30.488 1.00 26.17  ? 16  VAL F HG23 1 
HETATM 1559 C C1   . MPD G 2 .  ? 32.926 14.331 17.714 1.00 87.84  ? 101 MPD B C1   1 
HETATM 1560 C C2   . MPD G 2 .  ? 31.673 15.187 17.576 1.00 76.99  ? 101 MPD B C2   1 
HETATM 1561 O O2   . MPD G 2 .  ? 31.435 15.765 18.884 1.00 102.49 ? 101 MPD B O2   1 
HETATM 1562 C CM   . MPD G 2 .  ? 31.849 16.339 16.600 1.00 80.06  ? 101 MPD B CM   1 
HETATM 1563 C C3   . MPD G 2 .  ? 30.497 14.315 17.133 1.00 70.47  ? 101 MPD B C3   1 
HETATM 1564 C C4   . MPD G 2 .  ? 29.127 14.926 17.420 1.00 67.53  ? 101 MPD B C4   1 
HETATM 1565 O O4   . MPD G 2 .  ? 29.070 16.272 17.008 1.00 69.26  ? 101 MPD B O4   1 
HETATM 1566 C C5   . MPD G 2 .  ? 28.035 14.143 16.700 1.00 65.50  ? 101 MPD B C5   1 
HETATM 1567 H H11  . MPD G 2 .  ? 32.689 13.297 17.463 1.00 105.43 ? 101 MPD B H11  1 
HETATM 1568 H H12  . MPD G 2 .  ? 33.290 14.382 18.740 1.00 105.43 ? 101 MPD B H12  1 
HETATM 1569 H H13  . MPD G 2 .  ? 33.696 14.702 17.036 1.00 105.43 ? 101 MPD B H13  1 
HETATM 1570 H HO2  . MPD G 2 .  ? 30.560 15.473 19.216 1.00 123.01 ? 101 MPD B HO2  1 
HETATM 1571 H HM1  . MPD G 2 .  ? 31.096 16.269 15.815 1.00 96.09  ? 101 MPD B HM1  1 
HETATM 1572 H HM2  . MPD G 2 .  ? 31.736 17.285 17.129 1.00 96.09  ? 101 MPD B HM2  1 
HETATM 1573 H HM3  . MPD G 2 .  ? 32.843 16.289 16.155 1.00 96.09  ? 101 MPD B HM3  1 
HETATM 1574 H H31  . MPD G 2 .  ? 30.582 14.128 16.063 1.00 84.58  ? 101 MPD B H31  1 
HETATM 1575 H H32  . MPD G 2 .  ? 30.565 13.351 17.637 1.00 84.58  ? 101 MPD B H32  1 
HETATM 1576 H H4   . MPD G 2 .  ? 28.942 14.866 18.492 1.00 81.06  ? 101 MPD B H4   1 
HETATM 1577 H HO4  . MPD G 2 .  ? 29.008 16.312 16.030 1.00 83.13  ? 101 MPD B HO4  1 
HETATM 1578 H H51  . MPD G 2 .  ? 27.479 14.814 16.044 1.00 78.62  ? 101 MPD B H51  1 
HETATM 1579 H H52  . MPD G 2 .  ? 27.356 13.707 17.433 1.00 78.62  ? 101 MPD B H52  1 
HETATM 1580 H H53  . MPD G 2 .  ? 28.487 13.349 16.106 1.00 78.62  ? 101 MPD B H53  1 
HETATM 1581 C C1   . MPD H 2 .  ? 40.568 17.716 22.332 1.00 70.54  ? 102 MPD B C1   1 
HETATM 1582 C C2   . MPD H 2 .  ? 40.700 16.683 23.455 1.00 71.34  ? 102 MPD B C2   1 
HETATM 1583 O O2   . MPD H 2 .  ? 41.229 17.406 24.596 1.00 68.00  ? 102 MPD B O2   1 
HETATM 1584 C CM   . MPD H 2 .  ? 39.351 16.092 23.863 1.00 64.83  ? 102 MPD B CM   1 
HETATM 1585 C C3   . MPD H 2 .  ? 41.672 15.571 23.039 1.00 73.69  ? 102 MPD B C3   1 
HETATM 1586 C C4   . MPD H 2 .  ? 42.255 14.749 24.194 1.00 70.01  ? 102 MPD B C4   1 
HETATM 1587 O O4   . MPD H 2 .  ? 41.299 14.568 25.212 1.00 82.15  ? 102 MPD B O4   1 
HETATM 1588 C C5   . MPD H 2 .  ? 42.734 13.374 23.730 1.00 70.23  ? 102 MPD B C5   1 
HETATM 1589 H H11  . MPD H 2 .  ? 41.198 17.422 21.492 1.00 84.66  ? 102 MPD B H11  1 
HETATM 1590 H H12  . MPD H 2 .  ? 40.883 18.693 22.698 1.00 84.66  ? 102 MPD B H12  1 
HETATM 1591 H H13  . MPD H 2 .  ? 39.529 17.768 22.006 1.00 84.66  ? 102 MPD B H13  1 
HETATM 1592 H HO2  . MPD H 2 .  ? 42.095 17.024 24.851 1.00 81.63  ? 102 MPD B HO2  1 
HETATM 1593 H HM1  . MPD H 2 .  ? 39.386 15.007 23.765 1.00 77.81  ? 102 MPD B HM1  1 
HETATM 1594 H HM2  . MPD H 2 .  ? 38.570 16.490 23.216 1.00 77.81  ? 102 MPD B HM2  1 
HETATM 1595 H HM3  . MPD H 2 .  ? 39.137 16.357 24.898 1.00 77.81  ? 102 MPD B HM3  1 
HETATM 1596 H H31  . MPD H 2 .  ? 41.155 14.895 22.358 1.00 88.44  ? 102 MPD B H31  1 
HETATM 1597 H H32  . MPD H 2 .  ? 42.495 16.020 22.482 1.00 88.44  ? 102 MPD B H32  1 
HETATM 1598 H H4   . MPD H 2 .  ? 43.112 15.290 24.596 1.00 84.03  ? 102 MPD B H4   1 
HETATM 1599 H HO4  . MPD H 2 .  ? 41.752 14.514 26.080 1.00 98.60  ? 102 MPD B HO4  1 
HETATM 1600 H H51  . MPD H 2 .  ? 42.220 12.600 24.299 1.00 84.30  ? 102 MPD B H51  1 
HETATM 1601 H H52  . MPD H 2 .  ? 43.809 13.291 23.891 1.00 84.30  ? 102 MPD B H52  1 
HETATM 1602 H H53  . MPD H 2 .  ? 42.515 13.252 22.669 1.00 84.30  ? 102 MPD B H53  1 
HETATM 1603 C C1   . MPD I 2 .  ? 45.673 9.432  27.956 1.00 106.18 ? 101 MPD C C1   1 
HETATM 1604 C C2   . MPD I 2 .  ? 46.192 9.691  29.368 1.00 93.54  ? 101 MPD C C2   1 
HETATM 1605 O O2   . MPD I 2 .  ? 46.945 10.930 29.309 1.00 93.17  ? 101 MPD C O2   1 
HETATM 1606 C CM   . MPD I 2 .  ? 45.058 9.943  30.360 1.00 93.27  ? 101 MPD C CM   1 
HETATM 1607 C C3   . MPD I 2 .  ? 47.060 8.520  29.851 1.00 95.52  ? 101 MPD C C3   1 
HETATM 1608 C C4   . MPD I 2 .  ? 48.507 8.572  29.362 1.00 94.50  ? 101 MPD C C4   1 
HETATM 1609 O O4   . MPD I 2 .  ? 49.224 9.514  30.129 1.00 86.96  ? 101 MPD C O4   1 
HETATM 1610 C C5   . MPD I 2 .  ? 49.194 7.215  29.491 1.00 96.05  ? 101 MPD C C5   1 
HETATM 1611 H H11  . MPD I 2 .  ? 46.039 8.466  27.606 1.00 127.44 ? 101 MPD C H11  1 
HETATM 1612 H H12  . MPD I 2 .  ? 46.027 10.218 27.289 1.00 127.44 ? 101 MPD C H12  1 
HETATM 1613 H H13  . MPD I 2 .  ? 44.583 9.426  27.965 1.00 127.44 ? 101 MPD C H13  1 
HETATM 1614 H HO2  . MPD I 2 .  ? 47.868 10.764 29.594 1.00 111.83 ? 101 MPD C HO2  1 
HETATM 1615 H HM1  . MPD I 2 .  ? 45.130 9.231  31.182 1.00 111.95 ? 101 MPD C HM1  1 
HETATM 1616 H HM2  . MPD I 2 .  ? 44.100 9.821  29.855 1.00 111.95 ? 101 MPD C HM2  1 
HETATM 1617 H HM3  . MPD I 2 .  ? 45.136 10.958 30.751 1.00 111.95 ? 101 MPD C HM3  1 
HETATM 1618 H H31  . MPD I 2 .  ? 47.058 8.508  30.941 1.00 114.64 ? 101 MPD C H31  1 
HETATM 1619 H H32  . MPD I 2 .  ? 46.609 7.587  29.516 1.00 114.64 ? 101 MPD C H32  1 
HETATM 1620 H H4   . MPD I 2 .  ? 48.511 8.868  28.313 1.00 113.42 ? 101 MPD C H4   1 
HETATM 1621 H HO4  . MPD I 2 .  ? 48.930 9.467  31.062 1.00 104.37 ? 101 MPD C HO4  1 
HETATM 1622 H H51  . MPD I 2 .  ? 50.064 7.309  30.140 1.00 115.28 ? 101 MPD C H51  1 
HETATM 1623 H H52  . MPD I 2 .  ? 49.511 6.873  28.505 1.00 115.28 ? 101 MPD C H52  1 
HETATM 1624 H H53  . MPD I 2 .  ? 48.497 6.494  29.919 1.00 115.28 ? 101 MPD C H53  1 
HETATM 1625 O O    . HOH J 3 .  ? 46.473 -7.844 24.088 1.00 41.62  ? 101 HOH A O    1 
HETATM 1626 O O    . HOH J 3 .  ? 47.459 2.549  29.592 1.00 41.08  ? 102 HOH A O    1 
HETATM 1627 O O    . HOH J 3 .  ? 49.794 -0.518 31.961 1.00 57.16  ? 103 HOH A O    1 
HETATM 1628 O O    . HOH J 3 .  ? 46.299 3.887  32.010 1.00 50.71  ? 104 HOH A O    1 
HETATM 1629 O O    . HOH K 3 .  ? 29.761 7.878  37.872 1.00 24.32  ? 201 HOH B O    1 
HETATM 1630 O O    . HOH K 3 .  ? 23.436 5.672  35.267 1.00 22.61  ? 202 HOH B O    1 
HETATM 1631 O O    . HOH K 3 .  ? 29.781 18.374 25.906 1.00 38.23  ? 203 HOH B O    1 
HETATM 1632 O O    . HOH K 3 .  ? 27.215 16.599 31.385 1.00 23.22  ? 204 HOH B O    1 
HETATM 1633 O O    . HOH K 3 .  ? 28.540 21.521 18.784 1.00 56.07  ? 205 HOH B O    1 
HETATM 1634 O O    . HOH K 3 .  ? 37.941 20.131 17.741 1.00 35.57  ? 206 HOH B O    1 
HETATM 1635 O O    . HOH K 3 .  ? 26.310 14.775 37.380 1.00 41.73  ? 207 HOH B O    1 
HETATM 1636 O O    . HOH K 3 .  ? 33.320 21.338 23.458 1.00 56.27  ? 208 HOH B O    1 
HETATM 1637 O O    . HOH K 3 .  ? 26.707 12.343 38.362 1.00 40.49  ? 209 HOH B O    1 
HETATM 1638 O O    . HOH K 3 .  ? 28.177 10.526 38.757 1.00 52.86  ? 210 HOH B O    1 
HETATM 1639 O O    . HOH L 3 .  ? 34.779 17.259 16.027 1.00 26.71  ? 201 HOH C O    1 
HETATM 1640 O O    . HOH L 3 .  ? 33.788 13.354 10.645 1.00 24.70  ? 202 HOH C O    1 
HETATM 1641 O O    . HOH L 3 .  ? 39.192 16.189 17.245 1.00 22.86  ? 203 HOH C O    1 
HETATM 1642 O O    . HOH L 3 .  ? 34.114 18.309 10.013 1.00 60.28  ? 204 HOH C O    1 
HETATM 1643 O O    . HOH L 3 .  ? 43.348 16.371 8.865  1.00 62.96  ? 205 HOH C O    1 
HETATM 1644 O O    . HOH L 3 .  ? 46.564 -0.448 19.678 1.00 56.65  ? 206 HOH C O    1 
HETATM 1645 O O    . HOH L 3 .  ? 41.531 16.853 18.276 1.00 61.41  ? 207 HOH C O    1 
HETATM 1646 O O    . HOH M 3 .  ? 26.910 17.942 17.436 1.00 19.94  ? 101 HOH D O    1 
HETATM 1647 O O    . HOH M 3 .  ? 27.544 20.360 23.423 1.00 57.97  ? 102 HOH D O    1 
HETATM 1648 O O    . HOH M 3 .  ? 27.739 16.801 24.250 1.00 23.84  ? 103 HOH D O    1 
HETATM 1649 O O    . HOH M 3 .  ? 15.907 15.132 19.502 1.00 32.05  ? 104 HOH D O    1 
HETATM 1650 O O    . HOH M 3 .  ? 19.939 20.263 19.901 1.00 33.56  ? 105 HOH D O    1 
HETATM 1651 O O    . HOH M 3 .  ? 9.686  6.647  16.046 1.00 44.42  ? 106 HOH D O    1 
HETATM 1652 O O    . HOH M 3 .  ? 26.413 18.263 29.366 1.00 50.90  ? 107 HOH D O    1 
HETATM 1653 O O    . HOH N 3 .  ? 13.460 1.472  29.570 1.00 32.96  ? 101 HOH E O    1 
HETATM 1654 O O    . HOH N 3 .  ? 9.571  10.930 25.557 1.00 48.71  ? 102 HOH E O    1 
HETATM 1655 O O    . HOH N 3 .  ? 27.694 -3.621 42.097 1.00 53.67  ? 103 HOH E O    1 
HETATM 1656 O O    . HOH N 3 .  ? 22.364 0.939  41.240 1.00 49.56  ? 104 HOH E O    1 
HETATM 1657 O O    . HOH N 3 .  ? 27.780 5.991  41.236 1.00 43.58  ? 105 HOH E O    1 
HETATM 1658 O O    . HOH N 3 .  ? 7.722  9.371  26.044 1.00 61.66  ? 106 HOH E O    1 
HETATM 1659 O O    . HOH O 3 .  ? 38.123 23.484 23.041 1.00 36.23  ? 101 HOH F O    1 
HETATM 1660 O O    . HOH O 3 .  ? 24.398 17.742 34.133 1.00 64.88  ? 102 HOH F O    1 
HETATM 1661 O O    . HOH O 3 .  ? 29.029 19.324 28.351 1.00 41.84  ? 103 HOH F O    1 
HETATM 1662 O O    . HOH O 3 .  ? 35.430 22.639 23.984 1.00 52.66  ? 104 HOH F 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  ORN 1  1  1  ORN ORN A . n 
A 1 2  CYS 2  2  2  CYS CYS A . n 
A 1 3  VAL 3  3  3  VAL VAL A . n 
A 1 4  PHE 4  4  4  PHE PHE A . n 
A 1 5  MEA 5  5  5  MEA MEA A . n 
A 1 6  CYS 6  6  6  CYS CYS A . n 
A 1 7  GLU 7  7  7  GLU GLU A . n 
A 1 8  ASP 8  8  8  ASP ASP A . n 
A 1 9  ORN 9  9  9  ORN ORN A . n 
A 1 10 ALA 10 10 10 ALA ALA A . n 
A 1 11 CHG 11 11 11 CHG CHG A . n 
A 1 12 ILE 12 12 12 ILE ILE A . n 
A 1 13 GLY 13 13 13 GLY GLY A . n 
A 1 14 LEU 14 14 14 LEU LEU A . n 
A 1 15 ORN 15 15 15 ORN ORN A . n 
A 1 16 VAL 16 16 16 VAL VAL A . n 
B 1 1  ORN 1  1  1  ORN ORN B . n 
B 1 2  CYS 2  2  2  CYS CYS B . n 
B 1 3  VAL 3  3  3  VAL VAL B . n 
B 1 4  PHE 4  4  4  PHE PHE B . n 
B 1 5  MEA 5  5  5  MEA MEA B . n 
B 1 6  CYS 6  6  6  CYS CYS B . n 
B 1 7  GLU 7  7  7  GLU GLU B . n 
B 1 8  ASP 8  8  8  ASP ASP B . n 
B 1 9  ORN 9  9  9  ORN ORN B . n 
B 1 10 ALA 10 10 10 ALA ALA B . n 
B 1 11 CHG 11 11 11 CHG CHG B . n 
B 1 12 ILE 12 12 12 ILE ILE B . n 
B 1 13 GLY 13 13 13 GLY GLY B . n 
B 1 14 LEU 14 14 14 LEU LEU B . n 
B 1 15 ORN 15 15 15 ORN ORN B . n 
B 1 16 VAL 16 16 16 VAL VAL B . n 
C 1 1  ORN 1  1  1  ORN ORN C . n 
C 1 2  CYS 2  2  2  CYS CYS C . n 
C 1 3  VAL 3  3  3  VAL VAL C . n 
C 1 4  PHE 4  4  4  PHE PHE C . n 
C 1 5  MEA 5  5  5  MEA MEA C . n 
C 1 6  CYS 6  6  6  CYS CYS C . n 
C 1 7  GLU 7  7  7  GLU GLU C . n 
C 1 8  ASP 8  8  8  ASP ASP C . n 
C 1 9  ORN 9  9  9  ORN ORN C . n 
C 1 10 ALA 10 10 10 ALA ALA C . n 
C 1 11 CHG 11 11 11 CHG CHG C . n 
C 1 12 ILE 12 12 12 ILE ILE C . n 
C 1 13 GLY 13 13 13 GLY GLY C . n 
C 1 14 LEU 14 14 14 LEU LEU C . n 
C 1 15 ORN 15 15 15 ORN ORN C . n 
C 1 16 VAL 16 16 16 VAL VAL C . n 
D 1 1  ORN 1  1  1  ORN ORN D . n 
D 1 2  CYS 2  2  2  CYS CYS D . n 
D 1 3  VAL 3  3  3  VAL VAL D . n 
D 1 4  PHE 4  4  4  PHE PHE D . n 
D 1 5  MEA 5  5  5  MEA MEA D . n 
D 1 6  CYS 6  6  6  CYS CYS D . n 
D 1 7  GLU 7  7  7  GLU GLU D . n 
D 1 8  ASP 8  8  8  ASP ASP D . n 
D 1 9  ORN 9  9  9  ORN ORN D . n 
D 1 10 ALA 10 10 10 ALA ALA D . n 
D 1 11 CHG 11 11 11 CHG CHG D . n 
D 1 12 ILE 12 12 12 ILE ILE D . n 
D 1 13 GLY 13 13 13 GLY GLY D . n 
D 1 14 LEU 14 14 14 LEU LEU D . n 
D 1 15 ORN 15 15 15 ORN ORN D . n 
D 1 16 VAL 16 16 16 VAL VAL D . n 
E 1 1  ORN 1  1  1  ORN ORN E . n 
E 1 2  CYS 2  2  2  CYS CYS E . n 
E 1 3  VAL 3  3  3  VAL VAL E . n 
E 1 4  PHE 4  4  4  PHE PHE E . n 
E 1 5  MEA 5  5  5  MEA MEA E . n 
E 1 6  CYS 6  6  6  CYS CYS E . n 
E 1 7  GLU 7  7  7  GLU GLU E . n 
E 1 8  ASP 8  8  8  ASP ASP E . n 
E 1 9  ORN 9  9  9  ORN ORN E . n 
E 1 10 ALA 10 10 10 ALA ALA E . n 
E 1 11 CHG 11 11 11 CHG CHG E . n 
E 1 12 ILE 12 12 12 ILE ILE E . n 
E 1 13 GLY 13 13 13 GLY GLY E . n 
E 1 14 LEU 14 14 14 LEU LEU E . n 
E 1 15 ORN 15 15 15 ORN ORN E . n 
E 1 16 VAL 16 16 16 VAL VAL E . n 
F 1 1  ORN 1  1  1  ORN ORN F . n 
F 1 2  CYS 2  2  2  CYS CYS F . n 
F 1 3  VAL 3  3  3  VAL VAL F . n 
F 1 4  PHE 4  4  4  PHE PHE F . n 
F 1 5  MEA 5  5  5  MEA MEA F . n 
F 1 6  CYS 6  6  6  CYS CYS F . n 
F 1 7  GLU 7  7  7  GLU GLU F . n 
F 1 8  ASP 8  8  8  ASP ASP F . n 
F 1 9  ORN 9  9  9  ORN ORN F . n 
F 1 10 ALA 10 10 10 ALA ALA F . n 
F 1 11 CHG 11 11 11 CHG CHG F . n 
F 1 12 ILE 12 12 12 ILE ILE F . n 
F 1 13 GLY 13 13 13 GLY GLY F . n 
F 1 14 LEU 14 14 14 LEU LEU F . n 
F 1 15 ORN 15 15 15 ORN ORN F . n 
F 1 16 VAL 16 16 16 VAL VAL F . n 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   dodecameric 
_pdbx_struct_assembly.oligomeric_count     12 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O 
1 2 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z          1.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000 
1.0000000000  0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000  
2 'crystal symmetry operation' 2_655 -y+1,x-y,z+1/3 -0.5000000000 -0.8660254038 0.0000000000 57.8310000000 0.8660254038 
-0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 20.6153333333 
# 
loop_
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][3] 
'X-RAY DIFFRACTION' 1 ? refined 40.2246 2.2480  30.5631 0.2360 0.2152 0.3183 0.0107  -0.0641 -0.0398 4.5701 8.4153 6.9656 -4.5213 
-2.6136 4.1553  -0.0355 -0.1203 -0.2113 0.5394  0.2979  -0.7242 0.4848  0.6299  -0.0831 
'X-RAY DIFFRACTION' 2 ? refined 29.9382 11.5964 27.7735 0.2039 0.2304 0.1914 -0.0319 -0.0270 -0.0073 3.9431 5.6826 4.9369 2.7728  
-4.1115 -2.9395 0.1851  -0.1741 0.3090  0.0684  0.0561  0.0608  0.1166  0.2542  -0.2848 
'X-RAY DIFFRACTION' 3 ? refined 40.9462 9.2398  18.3264 0.2048 0.2782 0.2515 -0.0285 0.0481  -0.0163 5.3147 8.5153 4.5733 -3.1675 
3.9529  -1.1453 0.2428  0.4267  -0.1694 -0.4826 -0.0537 -0.3307 -0.4927 0.5336  -0.0998 
'X-RAY DIFFRACTION' 4 ? refined 20.0912 9.5762  18.6688 0.2210 0.2144 0.2035 0.0194  -0.0052 0.0154  4.8671 4.0572 7.4637 3.5710  
5.9593  4.1452  0.0490  -0.3770 -0.1253 0.0682  -0.2514 0.2778  -0.1844 -0.4098 0.1149  
'X-RAY DIFFRACTION' 5 ? refined 20.5565 2.1199  30.3632 0.3397 0.2333 0.2798 -0.0252 0.0193  0.0234  4.2952 4.5835 3.3721 -2.2446 
2.0844  -3.7724 -0.0797 -0.2923 0.1706  1.1816  0.1585  0.3371  -0.4192 -0.3828 0.1011  
'X-RAY DIFFRACTION' 6 ? refined 35.8781 22.8277 29.8447 0.3713 0.2499 0.2163 -0.0698 -0.0475 0.0286  3.7803 3.4385 6.3287 2.9063  
-3.8584 -3.3127 0.2267  0.4356  0.2400  -0.0891 -0.2299 0.1856  -0.8402 0.2264  -0.0279 
# 
loop_
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 1 through 16 )
;
'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 1 through 16 )
;
'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 1 through 16 )
;
'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? 
;chain 'D' and (resid 1 through 16 )
;
'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? 
;chain 'E' and (resid 1 through 16 )
;
'X-RAY DIFFRACTION' 6 6 ? ? ? ? ? ? ? ? ? 
;chain 'F' and (resid 1 through 16 )
;
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? '(1.12_2829: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .                  2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                  3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .                  4 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   H2 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   ORN 
_pdbx_validate_close_contact.auth_seq_id_1    1 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   H2 
_pdbx_validate_close_contact.auth_asym_id_2   F 
_pdbx_validate_close_contact.auth_comp_id_2   ORN 
_pdbx_validate_close_contact.auth_seq_id_2    1 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.17 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    C 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     206 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    C 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     206 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   5_555 
_pdbx_validate_symm_contact.dist              2.08 
# 
_pdbx_audit_support.funding_organization   'National Institutes of Health/National Institute of General Medical Sciences' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           097562 
_pdbx_audit_support.ordinal                1 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '(4S)-2-METHYL-2,4-PENTANEDIOL' MPD 
3 water                           HOH 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
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 
G 2 MPD 1  101 1  MPD MPD B . 
H 2 MPD 1  102 2  MPD MPD B . 
I 2 MPD 1  101 3  MPD MPD C . 
J 3 HOH 1  101 6  HOH HOH A . 
J 3 HOH 2  102 14 HOH HOH A . 
J 3 HOH 3  103 38 HOH HOH A . 
J 3 HOH 4  104 39 HOH HOH A . 
K 3 HOH 1  201 8  HOH HOH B . 
K 3 HOH 2  202 4  HOH HOH B . 
K 3 HOH 3  203 9  HOH HOH B . 
K 3 HOH 4  204 3  HOH HOH B . 
K 3 HOH 5  205 20 HOH HOH B . 
K 3 HOH 6  206 21 HOH HOH B . 
K 3 HOH 7  207 22 HOH HOH B . 
K 3 HOH 8  208 32 HOH HOH B . 
K 3 HOH 9  209 36 HOH HOH B . 
K 3 HOH 10 210 40 HOH HOH B . 
L 3 HOH 1  201 11 HOH HOH C . 
L 3 HOH 2  202 13 HOH HOH C . 
L 3 HOH 3  203 15 HOH HOH C . 
L 3 HOH 4  204 27 HOH HOH C . 
L 3 HOH 5  205 29 HOH HOH C . 
L 3 HOH 6  206 41 HOH HOH C . 
L 3 HOH 7  207 42 HOH HOH C . 
M 3 HOH 1  101 1  HOH HOH D . 
M 3 HOH 2  102 37 HOH HOH D . 
M 3 HOH 3  103 5  HOH HOH D . 
M 3 HOH 4  104 2  HOH HOH D . 
M 3 HOH 5  105 19 HOH HOH D . 
M 3 HOH 6  106 18 HOH HOH D . 
M 3 HOH 7  107 23 HOH HOH D . 
N 3 HOH 1  101 7  HOH HOH E . 
N 3 HOH 2  102 25 HOH HOH E . 
N 3 HOH 3  103 30 HOH HOH E . 
N 3 HOH 4  104 10 HOH HOH E . 
N 3 HOH 5  105 26 HOH HOH E . 
N 3 HOH 6  106 28 HOH HOH E . 
O 3 HOH 1  101 16 HOH HOH F . 
O 3 HOH 2  102 17 HOH HOH F . 
O 3 HOH 3  103 24 HOH HOH F . 
O 3 HOH 4  104 31 HOH HOH F . 
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