data_2Q33
# 
_entry.id   2Q33 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.287 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   2Q33         
RCSB  RCSB043087   
WWPDB D_1000043087 
# 
_pdbx_database_PDB_obs_spr.id               SPRSDE 
_pdbx_database_PDB_obs_spr.date             2007-11-13 
_pdbx_database_PDB_obs_spr.pdb_id           2Q33 
_pdbx_database_PDB_obs_spr.replace_pdb_id   1N98 
_pdbx_database_PDB_obs_spr.details          ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.entry_id                        2Q33 
_pdbx_database_status.recvd_initial_deposition_date   2007-05-29 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.methods_development_category    ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Hung, L.-W.'  1 
'Kohmura, M.'  2 
'Ariyoshi, Y.' 3 
'Kim, S.-H.'   4 
# 
_citation.id                        primary 
_citation.title                     'Structure of an Enantiomeric Protein, D-Monellin at 1.8 A Resolution.' 
_citation.journal_abbrev            'Acta Crystallogr.,Sect.D' 
_citation.journal_volume            54 
_citation.page_first                494 
_citation.page_last                 500 
_citation.year                      1998 
_citation.journal_id_ASTM           ABCRE6 
_citation.country                   DK 
_citation.journal_id_ISSN           0907-4449 
_citation.journal_id_CSD            0766 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   9867435 
_citation.pdbx_database_id_DOI      10.1107/S0907444997012225 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Hung, L.-W.'  1 
primary 'Kohmura, M.'  2 
primary 'Ariyoshi, Y.' 3 
primary 'Kim, S.-H.'   4 
# 
_cell.entry_id           2Q33 
_cell.length_a           40.400 
_cell.length_b           32.940 
_cell.length_c           41.110 
_cell.angle_alpha        90.00 
_cell.angle_beta         96.73 
_cell.angle_gamma        90.00 
_cell.Z_PDB              2 
_cell.pdbx_unique_axis   ? 
_cell.length_a_esd       ? 
_cell.length_b_esd       ? 
_cell.length_c_esd       ? 
_cell.angle_alpha_esd    ? 
_cell.angle_beta_esd     ? 
_cell.angle_gamma_esd    ? 
# 
_symmetry.entry_id                         2Q33 
_symmetry.space_group_name_H-M             'P 1 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                3 
_symmetry.space_group_name_Hall            ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer syn 'D-MONELLIN CHAIN A' 5098.772 1  ? ? ? ? 
2 polymer syn 'D-MONELLIN CHAIN B' 5593.396 1  ? ? ? ? 
3 water   nat water                18.015   82 ? ? ? ? 
# 
loop_
_entity_name_com.entity_id 
_entity_name_com.name 
1 'MONELLIN CHAIN I'  
2 'MONELLIN CHAIN II' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no yes 
;(DGL)(DIL)(DLY)G(DTY)(DGL)(DTY)(DGN)(DLE)(DTY)(DVA)(DTY)(DAL)(DSN)(DAS)(DLY)
(DLE)(DPN)(DAR)(DAL)(DAS)(DIL)(DSN)(DGL)(DAS)(DTY)(DLY)(DTH)(DAR)G(DAR)(DLY)
(DLE)(DLE)(DAR)(DPN)(DSG)G(DPR)(DVA)(DPR)(DPR)(DPR)
;
EIKGYEYQLYVYASDKLFRADISEDYKTRGRKLLRFNGPVPPP      A ? 
2 'polypeptide(L)' no yes 
;G(DGL)(DTR)(DGL)(DIL)(DIL)(DAS)(DIL)G(DPR)(DPN)(DTH)(DGN)(DSG)(DLE)G(DLY)(DPN)
(DAL)(DVA)(DAS)(DGL)(DGL)(DSG)(DLY)(DIL)G(DGN)(DTY)G(DAR)(DLE)(DTH)(DPN)(DSG)
(DLY)(DVA)(DIL)(DAR)(DPR)(DCY)(MED)(DLY)(DLY)(DTH)(DIL)(DTY)(DGL)
;
GEWEIIDIGPFTQNLGKFAVDEENKIGQYGRLTFNKVIRPCMKKTIYE B ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  DGL n 
1 2  DIL n 
1 3  DLY n 
1 4  GLY n 
1 5  DTY n 
1 6  DGL n 
1 7  DTY n 
1 8  DGN n 
1 9  DLE n 
1 10 DTY n 
1 11 DVA n 
1 12 DTY n 
1 13 DAL n 
1 14 DSN n 
1 15 DAS n 
1 16 DLY n 
1 17 DLE n 
1 18 DPN n 
1 19 DAR n 
1 20 DAL n 
1 21 DAS n 
1 22 DIL n 
1 23 DSN n 
1 24 DGL n 
1 25 DAS n 
1 26 DTY n 
1 27 DLY n 
1 28 DTH n 
1 29 DAR n 
1 30 GLY n 
1 31 DAR n 
1 32 DLY n 
1 33 DLE n 
1 34 DLE n 
1 35 DAR n 
1 36 DPN n 
1 37 DSG n 
1 38 GLY n 
1 39 DPR n 
1 40 DVA n 
1 41 DPR n 
1 42 DPR n 
1 43 DPR n 
2 1  GLY n 
2 2  DGL n 
2 3  DTR n 
2 4  DGL n 
2 5  DIL n 
2 6  DIL n 
2 7  DAS n 
2 8  DIL n 
2 9  GLY n 
2 10 DPR n 
2 11 DPN n 
2 12 DTH n 
2 13 DGN n 
2 14 DSG n 
2 15 DLE n 
2 16 GLY n 
2 17 DLY n 
2 18 DPN n 
2 19 DAL n 
2 20 DVA n 
2 21 DAS n 
2 22 DGL n 
2 23 DGL n 
2 24 DSG n 
2 25 DLY n 
2 26 DIL n 
2 27 GLY n 
2 28 DGN n 
2 29 DTY n 
2 30 GLY n 
2 31 DAR n 
2 32 DLE n 
2 33 DTH n 
2 34 DPN n 
2 35 DSG n 
2 36 DLY n 
2 37 DVA n 
2 38 DIL n 
2 39 DAR n 
2 40 DPR n 
2 41 DCY n 
2 42 MED n 
2 43 DLY n 
2 44 DLY n 
2 45 DTH n 
2 46 DIL n 
2 47 DTY n 
2 48 DGL n 
# 
loop_
_pdbx_entity_src_syn.entity_id 
_pdbx_entity_src_syn.pdbx_src_id 
_pdbx_entity_src_syn.pdbx_alt_source_flag 
_pdbx_entity_src_syn.pdbx_beg_seq_num 
_pdbx_entity_src_syn.pdbx_end_seq_num 
_pdbx_entity_src_syn.organism_scientific 
_pdbx_entity_src_syn.organism_common_name 
_pdbx_entity_src_syn.ncbi_taxonomy_id 
_pdbx_entity_src_syn.details 
1 1 sample ? ? ? ? ? 
;The enantiomeric protein was chemically synthesized with all D-amino acids. The sequence of the protein is naturally found in Dioscoreophyllum cumminsii.
;
2 1 sample ? ? ? ? ? 
;The enantiomeric protein was chemically synthesized with all D-amino acids. The sequence of the protein is naturally found in Dioscoreophyllum cumminsii.
;
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
1 PDB 2Q33 1 EIKGYEYQLYVYASDKLFRADISEDYKTRGRKLLRFNGPVPPP      1 2Q33 ? 
2 PDB 2Q33 2 GEWEIIDIGPFTQNLGKFAVDEENKIGQYGRLTFNKVIRPCXKKTIYE 1 2Q33 ? 
# 
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 2Q33 A 1 ? 43 ? 2Q33 1 ? 43 ? 52 94 
2 2 2Q33 B 1 ? 48 ? 2Q33 1 ? 48 ? 1  48 
# 
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 
DAL 'D-peptide linking' . D-ALANINE         ? 'C3 H7 N O2'     89.093  
DAR 'D-peptide linking' . D-ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
DAS 'D-peptide linking' . 'D-ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
DCY 'D-peptide linking' . D-CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
DGL 'D-peptide linking' . 'D-GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
DGN 'D-peptide linking' . D-GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
DIL 'D-peptide linking' . D-ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
DLE 'D-peptide linking' . D-LEUCINE         ? 'C6 H13 N O2'    131.173 
DLY 'D-peptide linking' . D-LYSINE          ? 'C6 H14 N2 O2'   146.188 
DPN 'D-peptide linking' . D-PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
DPR 'D-peptide linking' . D-PROLINE         ? 'C5 H9 N O2'     115.130 
DSG 'D-peptide linking' . D-ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
DSN 'D-peptide linking' . D-SERINE          ? 'C3 H7 N O3'     105.093 
DTH 'D-peptide linking' . D-THREONINE       ? 'C4 H9 N O3'     119.119 
DTR 'D-peptide linking' . D-TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
DTY 'D-peptide linking' . D-TYROSINE        ? 'C9 H11 N O3'    181.189 
DVA 'D-peptide linking' . D-VALINE          ? 'C5 H11 N O2'    117.146 
GLY 'peptide linking'   y GLYCINE           ? 'C2 H5 N O2'     75.067  
HOH non-polymer         . WATER             ? 'H2 O'           18.015  
MED 'D-peptide linking' . D-METHIONINE      ? 'C5 H11 N O2 S'  149.211 
# 
_exptl.entry_id          2Q33 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.54 
_exptl_crystal.density_percent_sol   51.59 
_exptl_crystal.description           ? 
_exptl_crystal.F_000                 ? 
_exptl_crystal.preparation           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.temp            277 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pH              7.20 
_exptl_crystal_grow.pdbx_details    
'20 MM SODIUM PHOSPHATE BUFFER, 28% PEG 8000, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K, pH 7.20' 
_exptl_crystal_grow.pdbx_pH_range   . 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           277.0 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               'IMAGE PLATE' 
_diffrn_detector.type                   MARRESEARCH 
_diffrn_detector.pdbx_collection_date   1994-09-15 
_diffrn_detector.details                SYNCHROTRON 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.monochromator                    'SI 111' 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.08 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'SSRL BEAMLINE BL7-1' 
_diffrn_source.pdbx_synchrotron_site       SSRL 
_diffrn_source.pdbx_synchrotron_beamline   BL7-1 
_diffrn_source.pdbx_wavelength             1.08 
_diffrn_source.pdbx_wavelength_list        ? 
# 
_reflns.entry_id                     2Q33 
_reflns.observed_criterion_sigma_I   3.000 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             35.000 
_reflns.d_resolution_high            1.800 
_reflns.number_obs                   9511 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         90.0 
_reflns.pdbx_Rmerge_I_obs            0.04200 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        11.0000 
_reflns.B_iso_Wilson_estimate        13.60 
_reflns.pdbx_redundancy              3.500 
_reflns.R_free_details               ? 
_reflns.limit_h_max                  ? 
_reflns.limit_h_min                  ? 
_reflns.limit_k_max                  ? 
_reflns.limit_k_min                  ? 
_reflns.limit_l_max                  ? 
_reflns.limit_l_min                  ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.pdbx_chi_squared             ? 
_reflns.pdbx_scaling_rejects         ? 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
# 
_reflns_shell.d_res_high             1.80 
_reflns_shell.d_res_low              1.84 
_reflns_shell.percent_possible_all   70.0 
_reflns_shell.Rmerge_I_obs           ? 
_reflns_shell.pdbx_Rsym_value        ? 
_reflns_shell.meanI_over_sigI_obs    ? 
_reflns_shell.pdbx_redundancy        ? 
_reflns_shell.percent_possible_obs   ? 
_reflns_shell.number_unique_all      ? 
_reflns_shell.number_measured_all    ? 
_reflns_shell.number_measured_obs    ? 
_reflns_shell.number_unique_obs      ? 
_reflns_shell.pdbx_chi_squared       ? 
_reflns_shell.pdbx_diffrn_id         ? 
_reflns_shell.pdbx_ordinal           1 
# 
_refine.entry_id                                 2Q33 
_refine.ls_number_reflns_obs                     8665 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               735264.360 
_refine.pdbx_data_cutoff_low_absF                0.0000 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             6.00 
_refine.ls_d_res_high                            1.80 
_refine.ls_percent_reflns_obs                    87.7 
_refine.ls_R_factor_obs                          0.175 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       0.175 
_refine.ls_R_factor_R_free                       0.215 
_refine.ls_R_factor_R_free_error                 0.007 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 10.600 
_refine.ls_number_reflns_R_free                  919 
_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                               28.20 
_refine.aniso_B[1][1]                            -0.67000 
_refine.aniso_B[2][2]                            0.21000 
_refine.aniso_B[3][3]                            0.46000 
_refine.aniso_B[1][2]                            0.00000 
_refine.aniso_B[1][3]                            0.89000 
_refine.aniso_B[2][3]                            0.00000 
_refine.solvent_model_details                    ? 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_solvent_vdw_probe_radii             ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.details                                  
;THE PROTEIN WAS CHEMICALLY SYNTHESIZED WITH ALL D-AMINO ACIDS. THIS STRUCTURE WAS DETERMINED AND REFINED WITH L-AMINO ACID PARAMETERS. THE ACTUAL ASYMMETRIC UNIT SHOULD CONTAIN THE PROTEIN REPRESENTED BY THIS COORDINATE FILE.
;
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_isotropic_thermal_model             RESTRAINED 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.overall_SU_ML                            ? 
_refine.overall_SU_B                             ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.B_iso_min                                ? 
_refine.B_iso_max                                ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
_refine_analyze.entry_id                        2Q33 
_refine_analyze.Luzzati_coordinate_error_obs    0.19 
_refine_analyze.Luzzati_sigma_a_obs             0.19 
_refine_analyze.Luzzati_d_res_low_obs           5.00 
_refine_analyze.Luzzati_coordinate_error_free   0.23 
_refine_analyze.Luzzati_sigma_a_free            0.22 
_refine_analyze.Luzzati_d_res_low_free          ? 
_refine_analyze.number_disordered_residues      ? 
_refine_analyze.occupancy_sum_hydrogen          ? 
_refine_analyze.occupancy_sum_non_hydrogen      ? 
_refine_analyze.pdbx_Luzzati_d_res_high_obs     ? 
_refine_analyze.pdbx_refine_id                  'X-RAY DIFFRACTION' 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        754 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             82 
_refine_hist.number_atoms_total               836 
_refine_hist.d_res_high                       1.80 
_refine_hist.d_res_low                        6.00 
# 
loop_
_refine_ls_restr.type 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.number 
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.pdbx_restraint_function 
x_bond_d                0.009 ?     ? ? 'X-RAY DIFFRACTION' ? 
x_bond_d_na             ?     ?     ? ? 'X-RAY DIFFRACTION' ? 
x_bond_d_prot           ?     ?     ? ? 'X-RAY DIFFRACTION' ? 
x_angle_d               ?     ?     ? ? 'X-RAY DIFFRACTION' ? 
x_angle_d_na            ?     ?     ? ? 'X-RAY DIFFRACTION' ? 
x_angle_d_prot          ?     ?     ? ? 'X-RAY DIFFRACTION' ? 
x_angle_deg             1.50  ?     ? ? 'X-RAY DIFFRACTION' ? 
x_angle_deg_na          ?     ?     ? ? 'X-RAY DIFFRACTION' ? 
x_angle_deg_prot        ?     ?     ? ? 'X-RAY DIFFRACTION' ? 
x_dihedral_angle_d      25.60 ?     ? ? 'X-RAY DIFFRACTION' ? 
x_dihedral_angle_d_na   ?     ?     ? ? 'X-RAY DIFFRACTION' ? 
x_dihedral_angle_d_prot ?     ?     ? ? 'X-RAY DIFFRACTION' ? 
x_improper_angle_d      1.30  ?     ? ? 'X-RAY DIFFRACTION' ? 
x_improper_angle_d_na   ?     ?     ? ? 'X-RAY DIFFRACTION' ? 
x_improper_angle_d_prot ?     ?     ? ? 'X-RAY DIFFRACTION' ? 
x_mcbond_it             1.990 1.500 ? ? 'X-RAY DIFFRACTION' ? 
x_mcangle_it            3.270 2.000 ? ? 'X-RAY DIFFRACTION' ? 
x_scbond_it             3.480 2.000 ? ? 'X-RAY DIFFRACTION' ? 
x_scangle_it            5.290 2.500 ? ? 'X-RAY DIFFRACTION' ? 
# 
_refine_ls_shell.pdbx_total_number_of_bins_used   6 
_refine_ls_shell.d_res_high                       1.80 
_refine_ls_shell.d_res_low                        1.91 
_refine_ls_shell.number_reflns_R_work             1040 
_refine_ls_shell.R_factor_R_work                  0.2430 
_refine_ls_shell.percent_reflns_obs               71.20 
_refine_ls_shell.R_factor_R_free                  0.3230 
_refine_ls_shell.R_factor_R_free_error            0.030 
_refine_ls_shell.percent_reflns_R_free            10.20 
_refine_ls_shell.number_reflns_R_free             118 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
loop_
_pdbx_xplor_file.serial_no 
_pdbx_xplor_file.param_file 
_pdbx_xplor_file.topol_file 
_pdbx_xplor_file.pdbx_refine_id 
1 PROTEIN_REP.PARAM PROTEIN.TOP 'X-RAY DIFFRACTION' 
2 WATER.PARAM       WATER.TOP   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  2Q33 
_struct.title                     'Crystal structure of all-D monellin at 1.8 A resolution' 
_struct.pdbx_descriptor           'D-MONELLIN CHAIN A, D-MONELLIN CHAIN B' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        2Q33 
_struct_keywords.pdbx_keywords   'DE NOVO PROTEIN' 
_struct_keywords.text            'ALPHA/BETA, ALL-D PROTEIN, 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 2 ? 
C N N 3 ? 
D N N 3 ? 
# 
_struct_biol.id        1 
_struct_biol.details   ? 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       1 
_struct_conf.beg_label_comp_id       GLY 
_struct_conf.beg_label_asym_id       B 
_struct_conf.beg_label_seq_id        9 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       GLY 
_struct_conf.end_label_asym_id       B 
_struct_conf.end_label_seq_id        27 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        GLY 
_struct_conf.beg_auth_asym_id        B 
_struct_conf.beg_auth_seq_id         9 
_struct_conf.end_auth_comp_id        GLY 
_struct_conf.end_auth_asym_id        B 
_struct_conf.end_auth_seq_id         27 
_struct_conf.pdbx_PDB_helix_class    1 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   19 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
covale1  covale ? ? A DGL 1  C ? ? ? 1_555 A DIL 2  N ? ? A DGL 52 A DIL 53 1_555 ? ? ? ? ? ? ? 1.335 ? 
covale2  covale ? ? A DIL 2  C ? ? ? 1_555 A DLY 3  N ? ? A DIL 53 A DLY 54 1_555 ? ? ? ? ? ? ? 1.324 ? 
covale3  covale ? ? A DLY 3  C ? ? ? 1_555 A GLY 4  N ? ? A DLY 54 A GLY 55 1_555 ? ? ? ? ? ? ? 1.331 ? 
covale4  covale ? ? A GLY 4  C ? ? ? 1_555 A DTY 5  N ? ? A GLY 55 A DTY 56 1_555 ? ? ? ? ? ? ? 1.321 ? 
covale5  covale ? ? A DTY 5  C ? ? ? 1_555 A DGL 6  N ? ? A DTY 56 A DGL 57 1_555 ? ? ? ? ? ? ? 1.329 ? 
covale6  covale ? ? A DGL 6  C ? ? ? 1_555 A DTY 7  N ? ? A DGL 57 A DTY 58 1_555 ? ? ? ? ? ? ? 1.330 ? 
covale7  covale ? ? A DTY 7  C ? ? ? 1_555 A DGN 8  N ? ? A DTY 58 A DGN 59 1_555 ? ? ? ? ? ? ? 1.325 ? 
covale8  covale ? ? A DGN 8  C ? ? ? 1_555 A DLE 9  N ? ? A DGN 59 A DLE 60 1_555 ? ? ? ? ? ? ? 1.330 ? 
covale9  covale ? ? A DLE 9  C ? ? ? 1_555 A DTY 10 N ? ? A DLE 60 A DTY 61 1_555 ? ? ? ? ? ? ? 1.328 ? 
covale10 covale ? ? A DTY 10 C ? ? ? 1_555 A DVA 11 N ? ? A DTY 61 A DVA 62 1_555 ? ? ? ? ? ? ? 1.324 ? 
covale11 covale ? ? A DVA 11 C ? ? ? 1_555 A DTY 12 N ? ? A DVA 62 A DTY 63 1_555 ? ? ? ? ? ? ? 1.332 ? 
covale12 covale ? ? A DTY 12 C ? ? ? 1_555 A DAL 13 N ? ? A DTY 63 A DAL 64 1_555 ? ? ? ? ? ? ? 1.325 ? 
covale13 covale ? ? A DAL 13 C ? ? ? 1_555 A DSN 14 N ? ? A DAL 64 A DSN 65 1_555 ? ? ? ? ? ? ? 1.331 ? 
covale14 covale ? ? A DSN 14 C ? ? ? 1_555 A DAS 15 N ? ? A DSN 65 A DAS 66 1_555 ? ? ? ? ? ? ? 1.334 ? 
covale15 covale ? ? A DAS 15 C ? ? ? 1_555 A DLY 16 N ? ? A DAS 66 A DLY 67 1_555 ? ? ? ? ? ? ? 1.327 ? 
covale16 covale ? ? A DLY 16 C ? ? ? 1_555 A DLE 17 N ? ? A DLY 67 A DLE 68 1_555 ? ? ? ? ? ? ? 1.320 ? 
covale17 covale ? ? A DLE 17 C ? ? ? 1_555 A DPN 18 N ? ? A DLE 68 A DPN 69 1_555 ? ? ? ? ? ? ? 1.336 ? 
covale18 covale ? ? A DPN 18 C ? ? ? 1_555 A DAR 19 N ? ? A DPN 69 A DAR 70 1_555 ? ? ? ? ? ? ? 1.323 ? 
covale19 covale ? ? A DAR 19 C ? ? ? 1_555 A DAL 20 N ? ? A DAR 70 A DAL 71 1_555 ? ? ? ? ? ? ? 1.321 ? 
covale20 covale ? ? A DAL 20 C ? ? ? 1_555 A DAS 21 N ? ? A DAL 71 A DAS 72 1_555 ? ? ? ? ? ? ? 1.336 ? 
covale21 covale ? ? A DAS 21 C ? ? ? 1_555 A DIL 22 N ? ? A DAS 72 A DIL 73 1_555 ? ? ? ? ? ? ? 1.328 ? 
covale22 covale ? ? A DIL 22 C ? ? ? 1_555 A DSN 23 N ? ? A DIL 73 A DSN 74 1_555 ? ? ? ? ? ? ? 1.336 ? 
covale23 covale ? ? A DSN 23 C ? ? ? 1_555 A DGL 24 N ? ? A DSN 74 A DGL 75 1_555 ? ? ? ? ? ? ? 1.317 ? 
covale24 covale ? ? A DGL 24 C ? ? ? 1_555 A DAS 25 N ? ? A DGL 75 A DAS 76 1_555 ? ? ? ? ? ? ? 1.323 ? 
covale25 covale ? ? A DAS 25 C ? ? ? 1_555 A DTY 26 N ? ? A DAS 76 A DTY 77 1_555 ? ? ? ? ? ? ? 1.330 ? 
covale26 covale ? ? A DTY 26 C ? ? ? 1_555 A DLY 27 N ? ? A DTY 77 A DLY 78 1_555 ? ? ? ? ? ? ? 1.330 ? 
covale27 covale ? ? A DLY 27 C ? ? ? 1_555 A DTH 28 N ? ? A DLY 78 A DTH 79 1_555 ? ? ? ? ? ? ? 1.324 ? 
covale28 covale ? ? A DTH 28 C ? ? ? 1_555 A DAR 29 N ? ? A DTH 79 A DAR 80 1_555 ? ? ? ? ? ? ? 1.334 ? 
covale29 covale ? ? A DAR 29 C ? ? ? 1_555 A GLY 30 N ? ? A DAR 80 A GLY 81 1_555 ? ? ? ? ? ? ? 1.330 ? 
covale30 covale ? ? A GLY 30 C ? ? ? 1_555 A DAR 31 N ? ? A GLY 81 A DAR 82 1_555 ? ? ? ? ? ? ? 1.326 ? 
covale31 covale ? ? A DAR 31 C ? ? ? 1_555 A DLY 32 N ? ? A DAR 82 A DLY 83 1_555 ? ? ? ? ? ? ? 1.326 ? 
covale32 covale ? ? A DLY 32 C ? ? ? 1_555 A DLE 33 N ? ? A DLY 83 A DLE 84 1_555 ? ? ? ? ? ? ? 1.327 ? 
covale33 covale ? ? A DLE 33 C ? ? ? 1_555 A DLE 34 N ? ? A DLE 84 A DLE 85 1_555 ? ? ? ? ? ? ? 1.331 ? 
covale34 covale ? ? A DLE 34 C ? ? ? 1_555 A DAR 35 N ? ? A DLE 85 A DAR 86 1_555 ? ? ? ? ? ? ? 1.320 ? 
covale35 covale ? ? A DAR 35 C ? ? ? 1_555 A DPN 36 N ? ? A DAR 86 A DPN 87 1_555 ? ? ? ? ? ? ? 1.322 ? 
covale36 covale ? ? A DPN 36 C ? ? ? 1_555 A DSG 37 N ? ? A DPN 87 A DSG 88 1_555 ? ? ? ? ? ? ? 1.329 ? 
covale37 covale ? ? A DSG 37 C ? ? ? 1_555 A GLY 38 N ? ? A DSG 88 A GLY 89 1_555 ? ? ? ? ? ? ? 1.322 ? 
covale38 covale ? ? A GLY 38 C ? ? ? 1_555 A DPR 39 N ? ? A GLY 89 A DPR 90 1_555 ? ? ? ? ? ? ? 1.342 ? 
covale39 covale ? ? A DPR 39 C ? ? ? 1_555 A DVA 40 N ? ? A DPR 90 A DVA 91 1_555 ? ? ? ? ? ? ? 1.325 ? 
covale40 covale ? ? A DVA 40 C ? ? ? 1_555 A DPR 41 N ? ? A DVA 91 A DPR 92 1_555 ? ? ? ? ? ? ? 1.342 ? 
covale41 covale ? ? A DPR 41 C ? ? ? 1_555 A DPR 42 N ? ? A DPR 92 A DPR 93 1_555 ? ? ? ? ? ? ? 1.343 ? 
covale42 covale ? ? A DPR 42 C ? ? ? 1_555 A DPR 43 N ? ? A DPR 93 A DPR 94 1_555 ? ? ? ? ? ? ? 1.340 ? 
covale43 covale ? ? B GLY 1  C ? ? ? 1_555 B DGL 2  N ? ? B GLY 1  B DGL 2  1_555 ? ? ? ? ? ? ? 1.327 ? 
covale44 covale ? ? B DGL 2  C ? ? ? 1_555 B DTR 3  N ? ? B DGL 2  B DTR 3  1_555 ? ? ? ? ? ? ? 1.322 ? 
covale45 covale ? ? B DTR 3  C ? ? ? 1_555 B DGL 4  N ? ? B DTR 3  B DGL 4  1_555 ? ? ? ? ? ? ? 1.329 ? 
covale46 covale ? ? B DGL 4  C ? ? ? 1_555 B DIL 5  N ? ? B DGL 4  B DIL 5  1_555 ? ? ? ? ? ? ? 1.321 ? 
covale47 covale ? ? B DIL 5  C ? ? ? 1_555 B DIL 6  N ? ? B DIL 5  B DIL 6  1_555 ? ? ? ? ? ? ? 1.329 ? 
covale48 covale ? ? B DIL 6  C ? ? ? 1_555 B DAS 7  N ? ? B DIL 6  B DAS 7  1_555 ? ? ? ? ? ? ? 1.330 ? 
covale49 covale ? ? B DAS 7  C ? ? ? 1_555 B DIL 8  N ? ? B DAS 7  B DIL 8  1_555 ? ? ? ? ? ? ? 1.324 ? 
covale50 covale ? ? B DIL 8  C ? ? ? 1_555 B GLY 9  N ? ? B DIL 8  B GLY 9  1_555 ? ? ? ? ? ? ? 1.327 ? 
covale51 covale ? ? B GLY 9  C ? ? ? 1_555 B DPR 10 N ? ? B GLY 9  B DPR 10 1_555 ? ? ? ? ? ? ? 1.337 ? 
covale52 covale ? ? B DPR 10 C ? ? ? 1_555 B DPN 11 N ? ? B DPR 10 B DPN 11 1_555 ? ? ? ? ? ? ? 1.327 ? 
covale53 covale ? ? B DPN 11 C ? ? ? 1_555 B DTH 12 N ? ? B DPN 11 B DTH 12 1_555 ? ? ? ? ? ? ? 1.332 ? 
covale54 covale ? ? B DTH 12 C ? ? ? 1_555 B DGN 13 N ? ? B DTH 12 B DGN 13 1_555 ? ? ? ? ? ? ? 1.324 ? 
covale55 covale ? ? B DGN 13 C ? ? ? 1_555 B DSG 14 N ? ? B DGN 13 B DSG 14 1_555 ? ? ? ? ? ? ? 1.327 ? 
covale56 covale ? ? B DSG 14 C ? ? ? 1_555 B DLE 15 N ? ? B DSG 14 B DLE 15 1_555 ? ? ? ? ? ? ? 1.333 ? 
covale57 covale ? ? B DLE 15 C ? ? ? 1_555 B GLY 16 N ? ? B DLE 15 B GLY 16 1_555 ? ? ? ? ? ? ? 1.336 ? 
covale58 covale ? ? B GLY 16 C ? ? ? 1_555 B DLY 17 N ? ? B GLY 16 B DLY 17 1_555 ? ? ? ? ? ? ? 1.334 ? 
covale59 covale ? ? B DLY 17 C ? ? ? 1_555 B DPN 18 N ? ? B DLY 17 B DPN 18 1_555 ? ? ? ? ? ? ? 1.328 ? 
covale60 covale ? ? B DPN 18 C ? ? ? 1_555 B DAL 19 N ? ? B DPN 18 B DAL 19 1_555 ? ? ? ? ? ? ? 1.336 ? 
covale61 covale ? ? B DAL 19 C ? ? ? 1_555 B DVA 20 N ? ? B DAL 19 B DVA 20 1_555 ? ? ? ? ? ? ? 1.327 ? 
covale62 covale ? ? B DVA 20 C ? ? ? 1_555 B DAS 21 N ? ? B DVA 20 B DAS 21 1_555 ? ? ? ? ? ? ? 1.327 ? 
covale63 covale ? ? B DAS 21 C ? ? ? 1_555 B DGL 22 N ? ? B DAS 21 B DGL 22 1_555 ? ? ? ? ? ? ? 1.327 ? 
covale64 covale ? ? B DGL 22 C ? ? ? 1_555 B DGL 23 N ? ? B DGL 22 B DGL 23 1_555 ? ? ? ? ? ? ? 1.326 ? 
covale65 covale ? ? B DGL 23 C ? ? ? 1_555 B DSG 24 N ? ? B DGL 23 B DSG 24 1_555 ? ? ? ? ? ? ? 1.325 ? 
covale66 covale ? ? B DSG 24 C ? ? ? 1_555 B DLY 25 N ? ? B DSG 24 B DLY 25 1_555 ? ? ? ? ? ? ? 1.336 ? 
covale67 covale ? ? B DLY 25 C ? ? ? 1_555 B DIL 26 N ? ? B DLY 25 B DIL 26 1_555 ? ? ? ? ? ? ? 1.331 ? 
covale68 covale ? ? B DIL 26 C ? ? ? 1_555 B GLY 27 N ? ? B DIL 26 B GLY 27 1_555 ? ? ? ? ? ? ? 1.327 ? 
covale69 covale ? ? B GLY 27 C ? ? ? 1_555 B DGN 28 N ? ? B GLY 27 B DGN 28 1_555 ? ? ? ? ? ? ? 1.325 ? 
covale70 covale ? ? B DGN 28 C ? ? ? 1_555 B DTY 29 N ? ? B DGN 28 B DTY 29 1_555 ? ? ? ? ? ? ? 1.329 ? 
covale71 covale ? ? B DTY 29 C ? ? ? 1_555 B GLY 30 N ? ? B DTY 29 B GLY 30 1_555 ? ? ? ? ? ? ? 1.329 ? 
covale72 covale ? ? B GLY 30 C ? ? ? 1_555 B DAR 31 N ? ? B GLY 30 B DAR 31 1_555 ? ? ? ? ? ? ? 1.323 ? 
covale73 covale ? ? B DAR 31 C ? ? ? 1_555 B DLE 32 N ? ? B DAR 31 B DLE 32 1_555 ? ? ? ? ? ? ? 1.328 ? 
covale74 covale ? ? B DLE 32 C ? ? ? 1_555 B DTH 33 N ? ? B DLE 32 B DTH 33 1_555 ? ? ? ? ? ? ? 1.325 ? 
covale75 covale ? ? B DTH 33 C ? ? ? 1_555 B DPN 34 N ? ? B DTH 33 B DPN 34 1_555 ? ? ? ? ? ? ? 1.333 ? 
covale76 covale ? ? B DPN 34 C ? ? ? 1_555 B DSG 35 N ? ? B DPN 34 B DSG 35 1_555 ? ? ? ? ? ? ? 1.329 ? 
covale77 covale ? ? B DSG 35 C ? ? ? 1_555 B DLY 36 N ? ? B DSG 35 B DLY 36 1_555 ? ? ? ? ? ? ? 1.334 ? 
covale78 covale ? ? B DLY 36 C ? ? ? 1_555 B DVA 37 N ? ? B DLY 36 B DVA 37 1_555 ? ? ? ? ? ? ? 1.330 ? 
covale79 covale ? ? B DVA 37 C ? ? ? 1_555 B DIL 38 N ? ? B DVA 37 B DIL 38 1_555 ? ? ? ? ? ? ? 1.327 ? 
covale80 covale ? ? B DIL 38 C ? ? ? 1_555 B DAR 39 N ? ? B DIL 38 B DAR 39 1_555 ? ? ? ? ? ? ? 1.324 ? 
covale81 covale ? ? B DAR 39 C ? ? ? 1_555 B DPR 40 N ? ? B DAR 39 B DPR 40 1_555 ? ? ? ? ? ? ? 1.342 ? 
covale82 covale ? ? B DPR 40 C ? ? ? 1_555 B DCY 41 N ? ? B DPR 40 B DCY 41 1_555 ? ? ? ? ? ? ? 1.326 ? 
covale83 covale ? ? B DCY 41 C ? ? ? 1_555 B MED 42 N ? ? B DCY 41 B MED 42 1_555 ? ? ? ? ? ? ? 1.327 ? 
covale84 covale ? ? B MED 42 C ? ? ? 1_555 B DLY 43 N ? ? B MED 42 B DLY 43 1_555 ? ? ? ? ? ? ? 1.322 ? 
covale85 covale ? ? B DLY 43 C ? ? ? 1_555 B DLY 44 N ? ? B DLY 43 B DLY 44 1_555 ? ? ? ? ? ? ? 1.325 ? 
covale86 covale ? ? B DLY 44 C ? ? ? 1_555 B DTH 45 N ? ? B DLY 44 B DTH 45 1_555 ? ? ? ? ? ? ? 1.326 ? 
covale87 covale ? ? B DTH 45 C ? ? ? 1_555 B DIL 46 N ? ? B DTH 45 B DIL 46 1_555 ? ? ? ? ? ? ? 1.331 ? 
covale88 covale ? ? B DIL 46 C ? ? ? 1_555 B DTY 47 N ? ? B DIL 46 B DTY 47 1_555 ? ? ? ? ? ? ? 1.332 ? 
covale89 covale ? ? B DTY 47 C ? ? ? 1_555 B DGL 48 N ? ? B DTY 47 B DGL 48 1_555 ? ? ? ? ? ? ? 1.329 ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 GLY 38 A . ? GLY 89 A DPR 39 A ? DPR 90 A 1 0.24 
2 DAR 39 B . ? DAR 39 B DPR 40 B ? DPR 40 B 1 0.09 
# 
_struct_sheet.id               A 
_struct_sheet.type             ? 
_struct_sheet.number_strands   5 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
A 1 2 ? anti-parallel 
A 2 3 ? anti-parallel 
A 3 4 ? anti-parallel 
A 4 5 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
A 1 DAR A 31 ? DSG A 37 ? DAR A 82 DSG A 88 
A 2 DLY A 16 ? DAS A 25 ? DLY A 67 DAS A 76 
A 3 DIL A 2  ? DAL A 13 ? DIL A 53 DAL A 64 
A 4 DPN B 34 ? DTY B 47 ? DPN B 34 DTY B 47 
A 5 DGL B 4  ? DIL B 6  ? DGL B 4  DIL B 6  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
A 1 2 O DLE A 34 ? O DLE A 85 N DAS A 21 ? N DAS A 72 
A 2 3 O DAL A 20 ? O DAL A 71 N DLE A 9  ? N DLE A 60 
A 3 4 N DTY A 12 ? N DTY A 63 O DLY B 36 ? O DLY B 36 
A 4 5 O DCY B 41 ? O DCY B 41 N DIL B 6  ? N DIL B 6  
# 
_database_PDB_matrix.entry_id          2Q33 
_database_PDB_matrix.origx[1][1]       1.000000 
_database_PDB_matrix.origx[1][2]       0.000000 
_database_PDB_matrix.origx[1][3]       0.000000 
_database_PDB_matrix.origx[2][1]       0.000000 
_database_PDB_matrix.origx[2][2]       1.000000 
_database_PDB_matrix.origx[2][3]       0.000000 
_database_PDB_matrix.origx[3][1]       0.000000 
_database_PDB_matrix.origx[3][2]       0.000000 
_database_PDB_matrix.origx[3][3]       1.000000 
_database_PDB_matrix.origx_vector[1]   0.00000 
_database_PDB_matrix.origx_vector[2]   0.00000 
_database_PDB_matrix.origx_vector[3]   0.00000 
# 
_atom_sites.entry_id                    2Q33 
_atom_sites.fract_transf_matrix[1][1]   0.024752 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.002921 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.030358 
_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]   0.024494 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
C 
N 
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   . DGL A 1 1  ? -33.394 -8.578  -5.182  1.00 62.00 ? 52  DGL A N   1 
HETATM 2   C CA  . DGL A 1 1  ? -32.824 -9.196  -6.380  1.00 60.29 ? 52  DGL A CA  1 
HETATM 3   C C   . DGL A 1 1  ? -31.547 -8.516  -6.890  1.00 55.23 ? 52  DGL A C   1 
HETATM 4   O O   . DGL A 1 1  ? -31.472 -8.161  -8.061  1.00 52.64 ? 52  DGL A O   1 
HETATM 5   C CB  . DGL A 1 1  ? -32.568 -10.694 -6.153  1.00 65.42 ? 52  DGL A CB  1 
HETATM 6   C CG  . DGL A 1 1  ? -33.754 -11.615 -6.458  1.00 69.79 ? 52  DGL A CG  1 
HETATM 7   C CD  . DGL A 1 1  ? -33.925 -11.915 -7.948  1.00 72.15 ? 52  DGL A CD  1 
HETATM 8   O OE1 . DGL A 1 1  ? -32.946 -12.347 -8.597  1.00 71.48 ? 52  DGL A OE1 1 
HETATM 9   O OE2 . DGL A 1 1  ? -35.051 -11.735 -8.464  1.00 74.16 ? 52  DGL A OE2 1 
HETATM 10  N N   . DIL A 1 2  ? -30.544 -8.357  -6.024  1.00 49.79 ? 53  DIL A N   1 
HETATM 11  C CA  . DIL A 1 2  ? -29.281 -7.715  -6.419  1.00 44.37 ? 53  DIL A CA  1 
HETATM 12  C C   . DIL A 1 2  ? -29.359 -6.187  -6.422  1.00 37.94 ? 53  DIL A C   1 
HETATM 13  O O   . DIL A 1 2  ? -29.619 -5.562  -5.393  1.00 38.18 ? 53  DIL A O   1 
HETATM 14  C CB  . DIL A 1 2  ? -28.115 -8.103  -5.497  1.00 45.71 ? 53  DIL A CB  1 
HETATM 15  C CG1 . DIL A 1 2  ? -28.096 -9.610  -5.249  1.00 44.60 ? 53  DIL A CG1 1 
HETATM 16  C CG2 . DIL A 1 2  ? -26.789 -7.666  -6.137  1.00 46.50 ? 53  DIL A CG2 1 
HETATM 17  C CD1 . DIL A 1 2  ? -27.027 -10.025 -4.262  1.00 42.67 ? 53  DIL A CD1 1 
HETATM 18  N N   . DLY A 1 3  ? -29.149 -5.588  -7.584  1.00 32.15 ? 54  DLY A N   1 
HETATM 19  C CA  . DLY A 1 3  ? -29.193 -4.146  -7.693  1.00 29.05 ? 54  DLY A CA  1 
HETATM 20  C C   . DLY A 1 3  ? -27.804 -3.553  -7.409  1.00 28.37 ? 54  DLY A C   1 
HETATM 21  O O   . DLY A 1 3  ? -27.671 -2.571  -6.661  1.00 25.03 ? 54  DLY A O   1 
HETATM 22  C CB  . DLY A 1 3  ? -29.716 -3.743  -9.079  1.00 32.79 ? 54  DLY A CB  1 
HETATM 23  C CG  . DLY A 1 3  ? -29.601 -2.254  -9.409  1.00 38.37 ? 54  DLY A CG  1 
HETATM 24  C CD  . DLY A 1 3  ? -30.677 -1.811  -10.375 1.00 42.80 ? 54  DLY A CD  1 
HETATM 25  C CE  . DLY A 1 3  ? -32.035 -1.844  -9.688  1.00 51.28 ? 54  DLY A CE  1 
HETATM 26  N NZ  . DLY A 1 3  ? -33.206 -1.742  -10.630 1.00 58.35 ? 54  DLY A NZ  1 
ATOM   27  N N   . GLY A 1 4  ? -26.766 -4.177  -7.962  1.00 26.43 ? 55  GLY A N   1 
ATOM   28  C CA  . GLY A 1 4  ? -25.420 -3.671  -7.761  1.00 24.80 ? 55  GLY A CA  1 
ATOM   29  C C   . GLY A 1 4  ? -24.342 -4.482  -8.445  1.00 23.50 ? 55  GLY A C   1 
ATOM   30  O O   . GLY A 1 4  ? -24.565 -5.620  -8.853  1.00 22.90 ? 55  GLY A O   1 
HETATM 31  N N   . DTY A 1 5  ? -23.162 -3.900  -8.567  1.00 22.03 ? 56  DTY A N   1 
HETATM 32  C CA  . DTY A 1 5  ? -22.048 -4.590  -9.195  1.00 20.97 ? 56  DTY A CA  1 
HETATM 33  C C   . DTY A 1 5  ? -21.426 -3.658  -10.192 1.00 18.71 ? 56  DTY A C   1 
HETATM 34  O O   . DTY A 1 5  ? -21.650 -2.439  -10.156 1.00 13.88 ? 56  DTY A O   1 
HETATM 35  C CB  . DTY A 1 5  ? -20.946 -4.939  -8.183  1.00 22.08 ? 56  DTY A CB  1 
HETATM 36  C CG  . DTY A 1 5  ? -21.423 -5.582  -6.913  1.00 26.23 ? 56  DTY A CG  1 
HETATM 37  C CD1 . DTY A 1 5  ? -21.396 -4.881  -5.711  1.00 29.90 ? 56  DTY A CD1 1 
HETATM 38  C CD2 . DTY A 1 5  ? -21.896 -6.885  -6.907  1.00 29.35 ? 56  DTY A CD2 1 
HETATM 39  C CE1 . DTY A 1 5  ? -21.826 -5.453  -4.538  1.00 32.51 ? 56  DTY A CE1 1 
HETATM 40  C CE2 . DTY A 1 5  ? -22.332 -7.477  -5.727  1.00 32.83 ? 56  DTY A CE2 1 
HETATM 41  C CZ  . DTY A 1 5  ? -22.290 -6.755  -4.545  1.00 35.28 ? 56  DTY A CZ  1 
HETATM 42  O OH  . DTY A 1 5  ? -22.680 -7.347  -3.359  1.00 38.90 ? 56  DTY A OH  1 
HETATM 43  N N   . DGL A 1 6  ? -20.641 -4.256  -11.082 1.00 16.42 ? 57  DGL A N   1 
HETATM 44  C CA  . DGL A 1 6  ? -19.903 -3.523  -12.075 1.00 16.22 ? 57  DGL A CA  1 
HETATM 45  C C   . DGL A 1 6  ? -18.501 -4.138  -12.107 1.00 16.34 ? 57  DGL A C   1 
HETATM 46  O O   . DGL A 1 6  ? -18.352 -5.370  -12.027 1.00 15.42 ? 57  DGL A O   1 
HETATM 47  C CB  . DGL A 1 6  ? -20.586 -3.644  -13.419 1.00 19.26 ? 57  DGL A CB  1 
HETATM 48  C CG  . DGL A 1 6  ? -20.548 -2.368  -14.172 1.00 25.68 ? 57  DGL A CG  1 
HETATM 49  C CD  . DGL A 1 6  ? -21.401 -2.434  -15.399 1.00 28.98 ? 57  DGL A CD  1 
HETATM 50  O OE1 . DGL A 1 6  ? -20.913 -2.975  -16.406 1.00 30.78 ? 57  DGL A OE1 1 
HETATM 51  O OE2 . DGL A 1 6  ? -22.559 -1.969  -15.342 1.00 29.73 ? 57  DGL A OE2 1 
HETATM 52  N N   . DTY A 1 7  ? -17.480 -3.287  -12.148 1.00 14.52 ? 58  DTY A N   1 
HETATM 53  C CA  . DTY A 1 7  ? -16.104 -3.756  -12.187 1.00 14.40 ? 58  DTY A CA  1 
HETATM 54  C C   . DTY A 1 7  ? -15.410 -3.225  -13.425 1.00 15.92 ? 58  DTY A C   1 
HETATM 55  O O   . DTY A 1 7  ? -15.627 -2.078  -13.834 1.00 16.40 ? 58  DTY A O   1 
HETATM 56  C CB  . DTY A 1 7  ? -15.321 -3.297  -10.959 1.00 11.88 ? 58  DTY A CB  1 
HETATM 57  C CG  . DTY A 1 7  ? -15.957 -3.614  -9.629  1.00 15.42 ? 58  DTY A CG  1 
HETATM 58  C CD1 . DTY A 1 7  ? -16.850 -2.735  -9.052  1.00 16.39 ? 58  DTY A CD1 1 
HETATM 59  C CD2 . DTY A 1 7  ? -15.625 -4.764  -8.928  1.00 17.80 ? 58  DTY A CD2 1 
HETATM 60  C CE1 . DTY A 1 7  ? -17.392 -2.979  -7.822  1.00 18.23 ? 58  DTY A CE1 1 
HETATM 61  C CE2 . DTY A 1 7  ? -16.165 -5.022  -7.684  1.00 18.06 ? 58  DTY A CE2 1 
HETATM 62  C CZ  . DTY A 1 7  ? -17.051 -4.119  -7.136  1.00 22.96 ? 58  DTY A CZ  1 
HETATM 63  O OH  . DTY A 1 7  ? -17.623 -4.342  -5.898  1.00 28.43 ? 58  DTY A OH  1 
HETATM 64  N N   . DGN A 1 8  ? -14.633 -4.090  -14.060 1.00 15.55 ? 59  DGN A N   1 
HETATM 65  C CA  . DGN A 1 8  ? -13.855 -3.729  -15.236 1.00 16.51 ? 59  DGN A CA  1 
HETATM 66  C C   . DGN A 1 8  ? -12.401 -3.796  -14.781 1.00 16.41 ? 59  DGN A C   1 
HETATM 67  O O   . DGN A 1 8  ? -11.918 -4.873  -14.393 1.00 12.83 ? 59  DGN A O   1 
HETATM 68  C CB  . DGN A 1 8  ? -14.075 -4.729  -16.358 1.00 20.33 ? 59  DGN A CB  1 
HETATM 69  C CG  . DGN A 1 8  ? -15.417 -4.658  -17.008 1.00 23.80 ? 59  DGN A CG  1 
HETATM 70  C CD  . DGN A 1 8  ? -15.401 -5.348  -18.344 1.00 28.79 ? 59  DGN A CD  1 
HETATM 71  O OE1 . DGN A 1 8  ? -14.462 -6.089  -18.659 1.00 28.46 ? 59  DGN A OE1 1 
HETATM 72  N NE2 . DGN A 1 8  ? -16.410 -5.075  -19.166 1.00 33.10 ? 59  DGN A NE2 1 
HETATM 73  N N   . DLE A 1 9  ? -11.716 -2.658  -14.842 1.00 14.21 ? 60  DLE A N   1 
HETATM 74  C CA  . DLE A 1 9  ? -10.332 -2.563  -14.390 1.00 14.97 ? 60  DLE A CA  1 
HETATM 75  C CB  . DLE A 1 9  ? -10.191 -1.513  -13.284 1.00 18.33 ? 60  DLE A CB  1 
HETATM 76  C CG  . DLE A 1 9  ? -11.115 -1.397  -12.085 1.00 23.74 ? 60  DLE A CG  1 
HETATM 77  C CD1 . DLE A 1 9  ? -10.553 -0.307  -11.190 1.00 23.73 ? 60  DLE A CD1 1 
HETATM 78  C CD2 . DLE A 1 9  ? -11.187 -2.705  -11.342 1.00 26.28 ? 60  DLE A CD2 1 
HETATM 79  C C   . DLE A 1 9  ? -9.351  -2.111  -15.442 1.00 15.11 ? 60  DLE A C   1 
HETATM 80  O O   . DLE A 1 9  ? -9.710  -1.392  -16.374 1.00 15.81 ? 60  DLE A O   1 
HETATM 81  N N   . DTY A 1 10 ? -8.100  -2.502  -15.229 1.00 13.97 ? 61  DTY A N   1 
HETATM 82  C CA  . DTY A 1 10 ? -6.980  -2.074  -16.039 1.00 15.20 ? 61  DTY A CA  1 
HETATM 83  C C   . DTY A 1 10 ? -6.198  -1.268  -15.007 1.00 14.94 ? 61  DTY A C   1 
HETATM 84  O O   . DTY A 1 10 ? -5.701  -1.807  -14.011 1.00 15.28 ? 61  DTY A O   1 
HETATM 85  C CB  . DTY A 1 10 ? -6.178  -3.258  -16.547 1.00 17.06 ? 61  DTY A CB  1 
HETATM 86  C CG  . DTY A 1 10 ? -6.686  -3.787  -17.872 1.00 16.01 ? 61  DTY A CG  1 
HETATM 87  C CD1 . DTY A 1 10 ? -6.331  -3.176  -19.054 1.00 18.81 ? 61  DTY A CD1 1 
HETATM 88  C CD2 . DTY A 1 10 ? -7.439  -4.946  -17.938 1.00 18.57 ? 61  DTY A CD2 1 
HETATM 89  C CE1 . DTY A 1 10 ? -6.693  -3.705  -20.258 1.00 20.77 ? 61  DTY A CE1 1 
HETATM 90  C CE2 . DTY A 1 10 ? -7.808  -5.485  -19.139 1.00 16.80 ? 61  DTY A CE2 1 
HETATM 91  C CZ  . DTY A 1 10 ? -7.422  -4.868  -20.294 1.00 22.70 ? 61  DTY A CZ  1 
HETATM 92  O OH  . DTY A 1 10 ? -7.679  -5.463  -21.508 1.00 28.00 ? 61  DTY A OH  1 
HETATM 93  N N   . DVA A 1 11 ? -6.117  0.033   -15.241 1.00 16.31 ? 62  DVA A N   1 
HETATM 94  C CA  . DVA A 1 11 ? -5.494  0.960   -14.311 1.00 17.03 ? 62  DVA A CA  1 
HETATM 95  C CB  . DVA A 1 11 ? -6.539  2.069   -13.897 1.00 18.09 ? 62  DVA A CB  1 
HETATM 96  C CG1 . DVA A 1 11 ? -5.959  3.005   -12.818 1.00 20.30 ? 62  DVA A CG1 1 
HETATM 97  C CG2 . DVA A 1 11 ? -7.813  1.432   -13.405 1.00 22.85 ? 62  DVA A CG2 1 
HETATM 98  C C   . DVA A 1 11 ? -4.297  1.693   -14.878 1.00 15.62 ? 62  DVA A C   1 
HETATM 99  O O   . DVA A 1 11 ? -4.377  2.230   -15.974 1.00 14.43 ? 62  DVA A O   1 
HETATM 100 N N   . DTY A 1 12 ? -3.200  1.705   -14.122 1.00 17.74 ? 63  DTY A N   1 
HETATM 101 C CA  . DTY A 1 12 ? -1.998  2.443   -14.489 1.00 18.01 ? 63  DTY A CA  1 
HETATM 102 C C   . DTY A 1 12 ? -2.115  3.766   -13.771 1.00 16.55 ? 63  DTY A C   1 
HETATM 103 O O   . DTY A 1 12 ? -2.260  3.811   -12.536 1.00 16.66 ? 63  DTY A O   1 
HETATM 104 C CB  . DTY A 1 12 ? -0.710  1.742   -14.024 1.00 21.21 ? 63  DTY A CB  1 
HETATM 105 C CG  . DTY A 1 12 ? -0.115  0.835   -15.059 1.00 21.41 ? 63  DTY A CG  1 
HETATM 106 C CD1 . DTY A 1 12 ? -0.185  -0.538  -14.919 1.00 22.14 ? 63  DTY A CD1 1 
HETATM 107 C CD2 . DTY A 1 12 ? 0.488   1.355   -16.203 1.00 24.98 ? 63  DTY A CD2 1 
HETATM 108 C CE1 . DTY A 1 12 ? 0.327   -1.383  -15.884 1.00 25.10 ? 63  DTY A CE1 1 
HETATM 109 C CE2 . DTY A 1 12 ? 1.004   0.518   -17.184 1.00 25.98 ? 63  DTY A CE2 1 
HETATM 110 C CZ  . DTY A 1 12 ? 0.918   -0.855  -17.015 1.00 26.66 ? 63  DTY A CZ  1 
HETATM 111 O OH  . DTY A 1 12 ? 1.416   -1.708  -17.970 1.00 26.72 ? 63  DTY A OH  1 
HETATM 112 N N   . DAL A 1 13 ? -2.137  4.830   -14.560 1.00 16.06 ? 64  DAL A N   1 
HETATM 113 C CA  . DAL A 1 13 ? -2.221  6.191   -14.065 1.00 15.99 ? 64  DAL A CA  1 
HETATM 114 C CB  . DAL A 1 13 ? -3.628  6.742   -14.256 1.00 14.45 ? 64  DAL A CB  1 
HETATM 115 C C   . DAL A 1 13 ? -1.202  6.992   -14.881 1.00 16.62 ? 64  DAL A C   1 
HETATM 116 O O   . DAL A 1 13 ? -1.223  6.978   -16.125 1.00 14.98 ? 64  DAL A O   1 
HETATM 117 N N   . DSN A 1 14 ? -0.288  7.657   -14.178 1.00 18.57 ? 65  DSN A N   1 
HETATM 118 C CA  . DSN A 1 14 ? 0.746   8.449   -14.830 1.00 18.97 ? 65  DSN A CA  1 
HETATM 119 C C   . DSN A 1 14 ? 1.508   7.610   -15.859 1.00 17.78 ? 65  DSN A C   1 
HETATM 120 O O   . DSN A 1 14 ? 1.808   8.064   -16.971 1.00 17.34 ? 65  DSN A O   1 
HETATM 121 C CB  . DSN A 1 14 ? 0.137   9.702   -15.452 1.00 19.86 ? 65  DSN A CB  1 
HETATM 122 O OG  . DSN A 1 14 ? -0.326  10.555  -14.420 1.00 21.04 ? 65  DSN A OG  1 
HETATM 123 N N   . DAS A 1 15 ? 1.748   6.358   -15.467 1.00 18.61 ? 66  DAS A N   1 
HETATM 124 C CA  . DAS A 1 15 ? 2.481   5.354   -16.246 1.00 21.20 ? 66  DAS A CA  1 
HETATM 125 C C   . DAS A 1 15 ? 1.923   4.962   -17.603 1.00 22.31 ? 66  DAS A C   1 
HETATM 126 O O   . DAS A 1 15 ? 2.665   4.492   -18.465 1.00 24.89 ? 66  DAS A O   1 
HETATM 127 C CB  . DAS A 1 15 ? 3.944   5.770   -16.379 1.00 23.56 ? 66  DAS A CB  1 
HETATM 128 C CG  . DAS A 1 15 ? 4.556   6.107   -15.054 1.00 27.08 ? 66  DAS A CG  1 
HETATM 129 O OD1 . DAS A 1 15 ? 4.604   5.222   -14.177 1.00 29.54 ? 66  DAS A OD1 1 
HETATM 130 O OD2 . DAS A 1 15 ? 4.942   7.271   -14.872 1.00 30.11 ? 66  DAS A OD2 1 
HETATM 131 N N   . DLY A 1 16 ? 0.623   5.148   -17.792 1.00 18.90 ? 67  DLY A N   1 
HETATM 132 C CA  . DLY A 1 16 ? -0.047  4.790   -19.027 1.00 18.58 ? 67  DLY A CA  1 
HETATM 133 C C   . DLY A 1 16 ? -1.146  3.866   -18.580 1.00 18.30 ? 67  DLY A C   1 
HETATM 134 O O   . DLY A 1 16 ? -1.670  4.012   -17.476 1.00 18.29 ? 67  DLY A O   1 
HETATM 135 C CB  . DLY A 1 16 ? -0.658  6.010   -19.694 1.00 20.98 ? 67  DLY A CB  1 
HETATM 136 C CG  . DLY A 1 16 ? 0.355   7.075   -20.107 1.00 27.06 ? 67  DLY A CG  1 
HETATM 137 C CD  . DLY A 1 16 ? -0.392  8.391   -20.313 1.00 35.27 ? 67  DLY A CD  1 
HETATM 138 C CE  . DLY A 1 16 ? 0.519   9.560   -20.659 1.00 41.17 ? 67  DLY A CE  1 
HETATM 139 N NZ  . DLY A 1 16 ? 0.873   9.618   -22.114 1.00 44.09 ? 67  DLY A NZ  1 
HETATM 140 N N   . DLE A 1 17 ? -1.493  2.902   -19.413 1.00 17.41 ? 68  DLE A N   1 
HETATM 141 C CA  . DLE A 1 17 ? -2.531  1.936   -19.062 1.00 16.55 ? 68  DLE A CA  1 
HETATM 142 C CB  . DLE A 1 17 ? -2.136  0.568   -19.597 1.00 18.16 ? 68  DLE A CB  1 
HETATM 143 C CG  . DLE A 1 17 ? -3.041  -0.580  -19.175 1.00 20.35 ? 68  DLE A CG  1 
HETATM 144 C CD1 . DLE A 1 17 ? -2.987  -0.776  -17.638 1.00 12.80 ? 68  DLE A CD1 1 
HETATM 145 C CD2 . DLE A 1 17 ? -2.583  -1.822  -19.940 1.00 21.07 ? 68  DLE A CD2 1 
HETATM 146 C C   . DLE A 1 17 ? -3.916  2.342   -19.590 1.00 16.99 ? 68  DLE A C   1 
HETATM 147 O O   . DLE A 1 17 ? -4.057  2.690   -20.768 1.00 15.59 ? 68  DLE A O   1 
HETATM 148 N N   . DPN A 1 18 ? -4.915  2.331   -18.703 1.00 15.62 ? 69  DPN A N   1 
HETATM 149 C CA  . DPN A 1 18 ? -6.292  2.698   -19.032 1.00 17.24 ? 69  DPN A CA  1 
HETATM 150 C C   . DPN A 1 18 ? -7.303  1.621   -18.620 1.00 15.41 ? 69  DPN A C   1 
HETATM 151 O O   . DPN A 1 18 ? -7.036  0.776   -17.766 1.00 15.11 ? 69  DPN A O   1 
HETATM 152 C CB  . DPN A 1 18 ? -6.695  3.994   -18.315 1.00 15.92 ? 69  DPN A CB  1 
HETATM 153 C CG  . DPN A 1 18 ? -5.844  5.172   -18.662 1.00 16.84 ? 69  DPN A CG  1 
HETATM 154 C CD1 . DPN A 1 18 ? -4.734  5.501   -17.879 1.00 14.88 ? 69  DPN A CD1 1 
HETATM 155 C CD2 . DPN A 1 18 ? -6.168  5.979   -19.751 1.00 18.46 ? 69  DPN A CD2 1 
HETATM 156 C CE1 . DPN A 1 18 ? -3.961  6.614   -18.166 1.00 13.21 ? 69  DPN A CE1 1 
HETATM 157 C CE2 . DPN A 1 18 ? -5.391  7.107   -20.052 1.00 19.07 ? 69  DPN A CE2 1 
HETATM 158 C CZ  . DPN A 1 18 ? -4.286  7.416   -19.249 1.00 15.31 ? 69  DPN A CZ  1 
HETATM 159 N N   . DAR A 1 19 ? -8.444  1.614   -19.290 1.00 15.82 ? 70  DAR A N   1 
HETATM 160 C CA  . DAR A 1 19 ? -9.507  0.690   -18.947 1.00 14.62 ? 70  DAR A CA  1 
HETATM 161 C CB  . DAR A 1 19 ? -10.111 0.045   -20.194 1.00 13.57 ? 70  DAR A CB  1 
HETATM 162 C CG  . DAR A 1 19 ? -9.475  -1.288  -20.565 1.00 19.69 ? 70  DAR A CG  1 
HETATM 163 C CD  . DAR A 1 19 ? -10.031 -2.425  -19.721 1.00 18.79 ? 70  DAR A CD  1 
HETATM 164 N NE  . DAR A 1 19 ? -11.415 -2.660  -20.094 1.00 19.09 ? 70  DAR A NE  1 
HETATM 165 C CZ  . DAR A 1 19 ? -12.459 -2.292  -19.370 1.00 13.99 ? 70  DAR A CZ  1 
HETATM 166 N NH1 . DAR A 1 19 ? -13.678 -2.526  -19.817 1.00 15.43 ? 70  DAR A NH1 1 
HETATM 167 N NH2 . DAR A 1 19 ? -12.280 -1.763  -18.163 1.00 16.51 ? 70  DAR A NH2 1 
HETATM 168 C C   . DAR A 1 19 ? -10.560 1.566   -18.270 1.00 15.37 ? 70  DAR A C   1 
HETATM 169 O O   . DAR A 1 19 ? -10.937 2.621   -18.798 1.00 14.20 ? 70  DAR A O   1 
HETATM 170 N N   . DAL A 1 20 ? -10.998 1.150   -17.095 1.00 12.56 ? 71  DAL A N   1 
HETATM 171 C CA  . DAL A 1 20 ? -12.019 1.887   -16.381 1.00 13.55 ? 71  DAL A CA  1 
HETATM 172 C CB  . DAL A 1 20 ? -11.425 2.614   -15.203 1.00 11.96 ? 71  DAL A CB  1 
HETATM 173 C C   . DAL A 1 20 ? -13.077 0.904   -15.915 1.00 12.64 ? 71  DAL A C   1 
HETATM 174 O O   . DAL A 1 20 ? -12.748 -0.227  -15.544 1.00 12.96 ? 71  DAL A O   1 
HETATM 175 N N   . DAS A 1 21 ? -14.344 1.319   -16.007 1.00 13.24 ? 72  DAS A N   1 
HETATM 176 C CA  . DAS A 1 21 ? -15.491 0.526   -15.561 1.00 12.90 ? 72  DAS A CA  1 
HETATM 177 C C   . DAS A 1 21 ? -16.151 1.355   -14.475 1.00 13.69 ? 72  DAS A C   1 
HETATM 178 O O   . DAS A 1 21 ? -16.327 2.560   -14.643 1.00 11.86 ? 72  DAS A O   1 
HETATM 179 C CB  . DAS A 1 21 ? -16.501 0.304   -16.681 1.00 14.85 ? 72  DAS A CB  1 
HETATM 180 C CG  . DAS A 1 21 ? -16.047 -0.722  -17.695 1.00 18.04 ? 72  DAS A CG  1 
HETATM 181 O OD1 . DAS A 1 21 ? -16.845 -1.028  -18.593 1.00 23.86 ? 72  DAS A OD1 1 
HETATM 182 O OD2 . DAS A 1 21 ? -14.918 -1.219  -17.622 1.00 17.93 ? 72  DAS A OD2 1 
HETATM 183 N N   . DIL A 1 22 ? -16.512 0.699   -13.378 1.00 14.69 ? 73  DIL A N   1 
HETATM 184 C CA  . DIL A 1 22 ? -17.121 1.334   -12.223 1.00 14.76 ? 73  DIL A CA  1 
HETATM 185 C C   . DIL A 1 22 ? -18.355 0.533   -11.811 1.00 17.21 ? 73  DIL A C   1 
HETATM 186 O O   . DIL A 1 22 ? -18.360 -0.703  -11.908 1.00 14.70 ? 73  DIL A O   1 
HETATM 187 C CB  . DIL A 1 22 ? -16.085 1.352   -11.043 1.00 15.66 ? 73  DIL A CB  1 
HETATM 188 C CG1 . DIL A 1 22 ? -14.918 2.276   -11.411 1.00 16.68 ? 73  DIL A CG1 1 
HETATM 189 C CG2 . DIL A 1 22 ? -16.741 1.775   -9.729  1.00 13.71 ? 73  DIL A CG2 1 
HETATM 190 C CD1 . DIL A 1 22 ? -13.702 2.114   -10.579 1.00 20.98 ? 73  DIL A CD1 1 
HETATM 191 N N   . DSN A 1 23 ? -19.426 1.237   -11.435 1.00 15.94 ? 74  DSN A N   1 
HETATM 192 C CA  . DSN A 1 23 ? -20.632 0.574   -10.963 1.00 13.58 ? 74  DSN A CA  1 
HETATM 193 C C   . DSN A 1 23 ? -20.710 0.864   -9.486  1.00 13.80 ? 74  DSN A C   1 
HETATM 194 O O   . DSN A 1 23 ? -20.248 1.902   -9.018  1.00 13.19 ? 74  DSN A O   1 
HETATM 195 C CB  . DSN A 1 23 ? -21.884 1.122   -11.631 1.00 17.26 ? 74  DSN A CB  1 
HETATM 196 O OG  . DSN A 1 23 ? -22.072 2.491   -11.323 1.00 21.72 ? 74  DSN A OG  1 
HETATM 197 N N   . DGL A 1 24 ? -21.280 -0.057  -8.737  1.00 14.99 ? 75  DGL A N   1 
HETATM 198 C CA  . DGL A 1 24 ? -21.420 0.166   -7.321  1.00 15.64 ? 75  DGL A CA  1 
HETATM 199 C C   . DGL A 1 24 ? -22.813 -0.328  -6.947  1.00 18.21 ? 75  DGL A C   1 
HETATM 200 O O   . DGL A 1 24 ? -23.189 -1.470  -7.223  1.00 16.28 ? 75  DGL A O   1 
HETATM 201 C CB  . DGL A 1 24 ? -20.319 -0.547  -6.545  1.00 13.85 ? 75  DGL A CB  1 
HETATM 202 C CG  . DGL A 1 24 ? -20.406 -0.348  -5.049  1.00 18.39 ? 75  DGL A CG  1 
HETATM 203 C CD  . DGL A 1 24 ? -19.428 -1.218  -4.297  1.00 24.18 ? 75  DGL A CD  1 
HETATM 204 O OE1 . DGL A 1 24 ? -18.483 -0.676  -3.703  1.00 31.63 ? 75  DGL A OE1 1 
HETATM 205 O OE2 . DGL A 1 24 ? -19.597 -2.447  -4.296  1.00 28.99 ? 75  DGL A OE2 1 
HETATM 206 N N   . DAS A 1 25 ? -23.611 0.580   -6.410  1.00 17.27 ? 76  DAS A N   1 
HETATM 207 C CA  . DAS A 1 25 ? -24.956 0.254   -6.017  1.00 18.52 ? 76  DAS A CA  1 
HETATM 208 C C   . DAS A 1 25 ? -24.911 -0.596  -4.748  1.00 19.37 ? 76  DAS A C   1 
HETATM 209 O O   . DAS A 1 25 ? -24.172 -0.284  -3.824  1.00 19.63 ? 76  DAS A O   1 
HETATM 210 C CB  . DAS A 1 25 ? -25.732 1.533   -5.785  1.00 18.31 ? 76  DAS A CB  1 
HETATM 211 C CG  . DAS A 1 25 ? -27.137 1.265   -5.417  1.00 23.77 ? 76  DAS A CG  1 
HETATM 212 O OD1 . DAS A 1 25 ? -27.817 0.639   -6.240  1.00 25.12 ? 76  DAS A OD1 1 
HETATM 213 O OD2 . DAS A 1 25 ? -27.542 1.615   -4.288  1.00 26.28 ? 76  DAS A OD2 1 
HETATM 214 N N   . DTY A 1 26 ? -25.692 -1.672  -4.720  1.00 20.79 ? 77  DTY A N   1 
HETATM 215 C CA  . DTY A 1 26 ? -25.719 -2.565  -3.572  1.00 25.33 ? 77  DTY A CA  1 
HETATM 216 C C   . DTY A 1 26 ? -26.265 -1.935  -2.279  1.00 28.16 ? 77  DTY A C   1 
HETATM 217 O O   . DTY A 1 26 ? -25.583 -1.935  -1.258  1.00 28.23 ? 77  DTY A O   1 
HETATM 218 C CB  . DTY A 1 26 ? -26.502 -3.837  -3.908  1.00 27.89 ? 77  DTY A CB  1 
HETATM 219 C CG  . DTY A 1 26 ? -26.507 -4.850  -2.785  1.00 30.77 ? 77  DTY A CG  1 
HETATM 220 C CD1 . DTY A 1 26 ? -25.318 -5.277  -2.214  1.00 31.68 ? 77  DTY A CD1 1 
HETATM 221 C CD2 . DTY A 1 26 ? -27.701 -5.342  -2.265  1.00 32.59 ? 77  DTY A CD2 1 
HETATM 222 C CE1 . DTY A 1 26 ? -25.310 -6.156  -1.155  1.00 33.93 ? 77  DTY A CE1 1 
HETATM 223 C CE2 . DTY A 1 26 ? -27.703 -6.227  -1.210  1.00 32.91 ? 77  DTY A CE2 1 
HETATM 224 C CZ  . DTY A 1 26 ? -26.502 -6.627  -0.656  1.00 35.70 ? 77  DTY A CZ  1 
HETATM 225 O OH  . DTY A 1 26 ? -26.485 -7.491  0.417   1.00 41.25 ? 77  DTY A OH  1 
HETATM 226 N N   . DLY A 1 27 ? -27.483 -1.403  -2.322  1.00 28.66 ? 78  DLY A N   1 
HETATM 227 C CA  . DLY A 1 27 ? -28.105 -0.793  -1.136  1.00 31.10 ? 78  DLY A CA  1 
HETATM 228 C C   . DLY A 1 27 ? -27.380 0.415   -0.557  1.00 31.21 ? 78  DLY A C   1 
HETATM 229 O O   . DLY A 1 27 ? -27.143 0.494   0.648   1.00 33.99 ? 78  DLY A O   1 
HETATM 230 C CB  . DLY A 1 27 ? -29.556 -0.407  -1.437  1.00 31.03 ? 78  DLY A CB  1 
HETATM 231 C CG  . DLY A 1 27 ? -30.497 -1.587  -1.629  1.00 33.06 ? 78  DLY A CG  1 
HETATM 232 C CD  . DLY A 1 27 ? -31.220 -1.548  -2.986  1.00 40.80 ? 78  DLY A CD  1 
HETATM 233 C CE  . DLY A 1 27 ? -30.358 -2.122  -4.149  1.00 45.87 ? 78  DLY A CE  1 
HETATM 234 N NZ  . DLY A 1 27 ? -29.263 -1.237  -4.683  1.00 33.91 ? 78  DLY A NZ  1 
HETATM 235 N N   . DTH A 1 28 ? -26.978 1.330   -1.426  1.00 30.06 ? 79  DTH A N   1 
HETATM 236 C CA  . DTH A 1 28 ? -26.317 2.561   -0.996  1.00 27.75 ? 79  DTH A CA  1 
HETATM 237 C CB  . DTH A 1 28 ? -26.743 3.745   -1.889  1.00 28.59 ? 79  DTH A CB  1 
HETATM 238 C CG2 . DTH A 1 28 ? -28.257 3.841   -1.964  1.00 24.17 ? 79  DTH A CG2 1 
HETATM 239 O OG1 . DTH A 1 28 ? -26.234 3.543   -3.215  1.00 25.03 ? 79  DTH A OG1 1 
HETATM 240 C C   . DTH A 1 28 ? -24.801 2.560   -0.986  1.00 25.98 ? 79  DTH A C   1 
HETATM 241 O O   . DTH A 1 28 ? -24.202 3.444   -0.379  1.00 27.27 ? 79  DTH A O   1 
HETATM 242 N N   . DAR A 1 29 ? -24.194 1.597   -1.682  1.00 23.83 ? 80  DAR A N   1 
HETATM 243 C CA  . DAR A 1 29 ? -22.738 1.497   -1.832  1.00 21.76 ? 80  DAR A CA  1 
HETATM 244 C CB  . DAR A 1 29 ? -22.006 1.585   -0.479  1.00 23.73 ? 80  DAR A CB  1 
HETATM 245 C CG  . DAR A 1 29 ? -22.335 0.487   0.519   1.00 24.63 ? 80  DAR A CG  1 
HETATM 246 C CD  . DAR A 1 29 ? -22.265 -0.887  -0.103  1.00 23.53 ? 80  DAR A CD  1 
HETATM 247 N NE  . DAR A 1 29 ? -22.046 -1.898  0.918   1.00 26.02 ? 80  DAR A NE  1 
HETATM 248 C CZ  . DAR A 1 29 ? -22.000 -3.205  0.693   1.00 24.70 ? 80  DAR A CZ  1 
HETATM 249 N NH1 . DAR A 1 29 ? -21.777 -4.023  1.702   1.00 23.49 ? 80  DAR A NH1 1 
HETATM 250 N NH2 . DAR A 1 29 ? -22.194 -3.698  -0.525  1.00 24.45 ? 80  DAR A NH2 1 
HETATM 251 C C   . DAR A 1 29 ? -22.223 2.606   -2.757  1.00 20.18 ? 80  DAR A C   1 
HETATM 252 O O   . DAR A 1 29 ? -21.013 2.777   -2.918  1.00 21.42 ? 80  DAR A O   1 
ATOM   253 N N   . GLY A 1 30 ? -23.140 3.354   -3.364  1.00 19.18 ? 81  GLY A N   1 
ATOM   254 C CA  . GLY A 1 30 ? -22.746 4.445   -4.234  1.00 16.83 ? 81  GLY A CA  1 
ATOM   255 C C   . GLY A 1 30 ? -21.971 3.979   -5.452  1.00 17.58 ? 81  GLY A C   1 
ATOM   256 O O   . GLY A 1 30 ? -22.362 3.017   -6.115  1.00 18.34 ? 81  GLY A O   1 
HETATM 257 N N   . DAR A 1 31 ? -20.894 4.682   -5.773  1.00 18.19 ? 82  DAR A N   1 
HETATM 258 C CA  . DAR A 1 31 ? -20.073 4.336   -6.911  1.00 16.08 ? 82  DAR A CA  1 
HETATM 259 C CB  . DAR A 1 31 ? -18.651 4.105   -6.437  1.00 15.18 ? 82  DAR A CB  1 
HETATM 260 C CG  . DAR A 1 31 ? -18.521 2.899   -5.586  1.00 15.41 ? 82  DAR A CG  1 
HETATM 261 C CD  . DAR A 1 31 ? -17.107 2.758   -5.098  1.00 17.67 ? 82  DAR A CD  1 
HETATM 262 N NE  . DAR A 1 31 ? -16.962 1.522   -4.347  1.00 18.29 ? 82  DAR A NE  1 
HETATM 263 C CZ  . DAR A 1 31 ? -15.857 1.142   -3.719  1.00 19.88 ? 82  DAR A CZ  1 
HETATM 264 N NH1 . DAR A 1 31 ? -15.836 -0.012  -3.077  1.00 22.52 ? 82  DAR A NH1 1 
HETATM 265 N NH2 . DAR A 1 31 ? -14.786 1.923   -3.713  1.00 23.87 ? 82  DAR A NH2 1 
HETATM 266 C C   . DAR A 1 31 ? -20.117 5.393   -8.007  1.00 16.52 ? 82  DAR A C   1 
HETATM 267 O O   . DAR A 1 31 ? -20.247 6.585   -7.735  1.00 17.78 ? 82  DAR A O   1 
HETATM 268 N N   . DLY A 1 32 ? -19.945 4.946   -9.244  1.00 15.18 ? 83  DLY A N   1 
HETATM 269 C CA  . DLY A 1 32 ? -19.998 5.819   -10.398 1.00 18.22 ? 83  DLY A CA  1 
HETATM 270 C C   . DLY A 1 32 ? -19.009 5.314   -11.448 1.00 14.53 ? 83  DLY A C   1 
HETATM 271 O O   . DLY A 1 32 ? -18.861 4.109   -11.637 1.00 15.41 ? 83  DLY A O   1 
HETATM 272 C CB  . DLY A 1 32 ? -21.431 5.797   -10.952 1.00 19.92 ? 83  DLY A CB  1 
HETATM 273 C CG  . DLY A 1 32 ? -21.989 7.130   -11.430 1.00 33.47 ? 83  DLY A CG  1 
HETATM 274 C CD  . DLY A 1 32 ? -21.385 7.555   -12.778 1.00 42.95 ? 83  DLY A CD  1 
HETATM 275 C CE  . DLY A 1 32 ? -22.354 8.379   -13.648 1.00 45.47 ? 83  DLY A CE  1 
HETATM 276 N NZ  . DLY A 1 32 ? -23.499 7.581   -14.200 1.00 48.18 ? 83  DLY A NZ  1 
HETATM 277 N N   . DLE A 1 33 ? -18.289 6.238   -12.071 1.00 14.07 ? 84  DLE A N   1 
HETATM 278 C CA  . DLE A 1 33 ? -17.336 5.906   -13.109 1.00 12.25 ? 84  DLE A CA  1 
HETATM 279 C CB  . DLE A 1 33 ? -16.280 7.005   -13.229 1.00 14.12 ? 84  DLE A CB  1 
HETATM 280 C CG  . DLE A 1 33 ? -15.165 6.763   -14.254 1.00 17.61 ? 84  DLE A CG  1 
HETATM 281 C CD1 . DLE A 1 33 ? -14.323 5.529   -13.843 1.00 15.37 ? 84  DLE A CD1 1 
HETATM 282 C CD2 . DLE A 1 33 ? -14.287 8.024   -14.381 1.00 15.99 ? 84  DLE A CD2 1 
HETATM 283 C C   . DLE A 1 33 ? -18.165 5.848   -14.377 1.00 14.03 ? 84  DLE A C   1 
HETATM 284 O O   . DLE A 1 33 ? -18.842 6.813   -14.708 1.00 14.15 ? 84  DLE A O   1 
HETATM 285 N N   . DLE A 1 34 ? -18.120 4.710   -15.066 1.00 12.87 ? 85  DLE A N   1 
HETATM 286 C CA  . DLE A 1 34 ? -18.891 4.497   -16.292 1.00 13.59 ? 85  DLE A CA  1 
HETATM 287 C CB  . DLE A 1 34 ? -19.523 3.101   -16.271 1.00 11.74 ? 85  DLE A CB  1 
HETATM 288 C CG  . DLE A 1 34 ? -20.416 2.771   -15.071 1.00 16.80 ? 85  DLE A CG  1 
HETATM 289 C CD1 . DLE A 1 34 ? -20.846 1.313   -15.160 1.00 20.36 ? 85  DLE A CD1 1 
HETATM 290 C CD2 . DLE A 1 34 ? -21.626 3.687   -15.005 1.00 16.74 ? 85  DLE A CD2 1 
HETATM 291 C C   . DLE A 1 34 ? -18.039 4.644   -17.539 1.00 15.05 ? 85  DLE A C   1 
HETATM 292 O O   . DLE A 1 34 ? -18.528 5.006   -18.623 1.00 15.01 ? 85  DLE A O   1 
HETATM 293 N N   . DAR A 1 35 ? -16.756 4.369   -17.395 1.00 14.93 ? 86  DAR A N   1 
HETATM 294 C CA  . DAR A 1 35 ? -15.873 4.448   -18.533 1.00 12.41 ? 86  DAR A CA  1 
HETATM 295 C CB  . DAR A 1 35 ? -16.011 3.154   -19.352 1.00 14.34 ? 86  DAR A CB  1 
HETATM 296 C CG  . DAR A 1 35 ? -14.918 2.911   -20.384 1.00 16.02 ? 86  DAR A CG  1 
HETATM 297 C CD  . DAR A 1 35 ? -15.066 1.534   -20.964 1.00 18.69 ? 86  DAR A CD  1 
HETATM 298 N NE  . DAR A 1 35 ? -13.871 1.154   -21.703 1.00 19.93 ? 86  DAR A NE  1 
HETATM 299 C CZ  . DAR A 1 35 ? -13.785 0.067   -22.454 1.00 23.01 ? 86  DAR A CZ  1 
HETATM 300 N NH1 . DAR A 1 35 ? -14.822 -0.744  -22.555 1.00 24.59 ? 86  DAR A NH1 1 
HETATM 301 N NH2 . DAR A 1 35 ? -12.672 -0.200  -23.111 1.00 22.04 ? 86  DAR A NH2 1 
HETATM 302 C C   . DAR A 1 35 ? -14.443 4.612   -18.056 1.00 12.43 ? 86  DAR A C   1 
HETATM 303 O O   . DAR A 1 35 ? -14.073 4.118   -16.993 1.00 11.58 ? 86  DAR A O   1 
HETATM 304 N N   . DPN A 1 36 ? -13.661 5.338   -18.836 1.00 12.86 ? 87  DPN A N   1 
HETATM 305 C CA  . DPN A 1 36 ? -12.254 5.541   -18.550 1.00 15.30 ? 87  DPN A CA  1 
HETATM 306 C C   . DPN A 1 36 ? -11.664 5.921   -19.891 1.00 15.19 ? 87  DPN A C   1 
HETATM 307 O O   . DPN A 1 36 ? -11.937 7.001   -20.405 1.00 17.37 ? 87  DPN A O   1 
HETATM 308 C CB  . DPN A 1 36 ? -12.038 6.655   -17.521 1.00 13.31 ? 87  DPN A CB  1 
HETATM 309 C CG  . DPN A 1 36 ? -10.661 6.642   -16.911 1.00 14.61 ? 87  DPN A CG  1 
HETATM 310 C CD1 . DPN A 1 36 ? -9.553  7.038   -17.652 1.00 20.22 ? 87  DPN A CD1 1 
HETATM 311 C CD2 . DPN A 1 36 ? -10.463 6.172   -15.623 1.00 13.75 ? 87  DPN A CD2 1 
HETATM 312 C CE1 . DPN A 1 36 ? -8.266  6.955   -17.108 1.00 19.68 ? 87  DPN A CE1 1 
HETATM 313 C CE2 . DPN A 1 36 ? -9.194  6.086   -15.078 1.00 17.19 ? 87  DPN A CE2 1 
HETATM 314 C CZ  . DPN A 1 36 ? -8.091  6.477   -15.823 1.00 16.63 ? 87  DPN A CZ  1 
HETATM 315 N N   . DSG A 1 37 ? -10.928 5.005   -20.512 1.00 15.12 ? 88  DSG A N   1 
HETATM 316 C CA  . DSG A 1 37 ? -10.343 5.315   -21.821 1.00 17.27 ? 88  DSG A CA  1 
HETATM 317 C C   . DSG A 1 37 ? -8.967  4.696   -21.966 1.00 20.27 ? 88  DSG A C   1 
HETATM 318 O O   . DSG A 1 37 ? -8.629  3.713   -21.290 1.00 18.66 ? 88  DSG A O   1 
HETATM 319 C CB  . DSG A 1 37 ? -11.258 4.849   -22.972 1.00 14.52 ? 88  DSG A CB  1 
HETATM 320 C CG  . DSG A 1 37 ? -11.072 3.392   -23.315 1.00 17.05 ? 88  DSG A CG  1 
HETATM 321 O OD1 . DSG A 1 37 ? -10.484 3.052   -24.341 1.00 28.25 ? 88  DSG A OD1 1 
HETATM 322 N ND2 . DSG A 1 37 ? -11.565 2.522   -22.467 1.00 18.10 ? 88  DSG A ND2 1 
ATOM   323 N N   . GLY A 1 38 ? -8.160  5.290   -22.828 1.00 20.40 ? 89  GLY A N   1 
ATOM   324 C CA  . GLY A 1 38 ? -6.834  4.768   -23.027 1.00 22.76 ? 89  GLY A CA  1 
ATOM   325 C C   . GLY A 1 38 ? -5.979  5.791   -23.724 1.00 22.16 ? 89  GLY A C   1 
ATOM   326 O O   . GLY A 1 38 ? -6.497  6.817   -24.156 1.00 21.84 ? 89  GLY A O   1 
HETATM 327 N N   . DPR A 1 39 ? -4.671  5.531   -23.870 1.00 24.85 ? 90  DPR A N   1 
HETATM 328 C CA  . DPR A 1 39 ? -4.030  4.298   -23.390 1.00 25.42 ? 90  DPR A CA  1 
HETATM 329 C CB  . DPR A 1 39 ? -2.553  4.567   -23.658 1.00 24.82 ? 90  DPR A CB  1 
HETATM 330 C CG  . DPR A 1 39 ? -2.447  6.025   -23.392 1.00 25.32 ? 90  DPR A CG  1 
HETATM 331 C CD  . DPR A 1 39 ? -3.654  6.560   -24.147 1.00 25.24 ? 90  DPR A CD  1 
HETATM 332 C C   . DPR A 1 39 ? -4.524  3.061   -24.135 1.00 24.55 ? 90  DPR A C   1 
HETATM 333 O O   . DPR A 1 39 ? -5.016  3.165   -25.251 1.00 26.80 ? 90  DPR A O   1 
HETATM 334 N N   . DVA A 1 40 ? -4.441  1.904   -23.495 1.00 22.33 ? 91  DVA A N   1 
HETATM 335 C CA  . DVA A 1 40 ? -4.890  0.659   -24.104 1.00 20.90 ? 91  DVA A CA  1 
HETATM 336 C CB  . DVA A 1 40 ? -6.120  0.072   -23.362 1.00 19.60 ? 91  DVA A CB  1 
HETATM 337 C CG1 . DVA A 1 40 ? -7.294  1.043   -23.418 1.00 15.45 ? 91  DVA A CG1 1 
HETATM 338 C CG2 . DVA A 1 40 ? -5.759  -0.262  -21.902 1.00 17.54 ? 91  DVA A CG2 1 
HETATM 339 C C   . DVA A 1 40 ? -3.767  -0.359  -24.030 1.00 22.59 ? 91  DVA A C   1 
HETATM 340 O O   . DVA A 1 40 ? -2.847  -0.204  -23.238 1.00 22.15 ? 91  DVA A O   1 
HETATM 341 N N   . DPR A 1 41 ? -3.782  -1.377  -24.905 1.00 24.62 ? 92  DPR A N   1 
HETATM 342 C CA  . DPR A 1 41 ? -2.699  -2.355  -24.811 1.00 28.40 ? 92  DPR A CA  1 
HETATM 343 C CB  . DPR A 1 41 ? -2.798  -3.113  -26.142 1.00 28.12 ? 92  DPR A CB  1 
HETATM 344 C CG  . DPR A 1 41 ? -4.250  -3.012  -26.508 1.00 29.47 ? 92  DPR A CG  1 
HETATM 345 C CD  . DPR A 1 41 ? -4.574  -1.579  -26.137 1.00 28.99 ? 92  DPR A CD  1 
HETATM 346 C C   . DPR A 1 41 ? -2.899  -3.268  -23.599 1.00 30.76 ? 92  DPR A C   1 
HETATM 347 O O   . DPR A 1 41 ? -4.029  -3.477  -23.148 1.00 31.08 ? 92  DPR A O   1 
HETATM 348 N N   . DPR A 1 42 ? -1.801  -3.789  -23.027 1.00 32.89 ? 93  DPR A N   1 
HETATM 349 C CA  . DPR A 1 42 ? -1.905  -4.675  -21.867 1.00 34.80 ? 93  DPR A CA  1 
HETATM 350 C CB  . DPR A 1 42 ? -0.459  -5.107  -21.636 1.00 34.75 ? 93  DPR A CB  1 
HETATM 351 C CG  . DPR A 1 42 ? 0.325   -3.954  -22.148 1.00 36.55 ? 93  DPR A CG  1 
HETATM 352 C CD  . DPR A 1 42 ? -0.395  -3.624  -23.427 1.00 34.23 ? 93  DPR A CD  1 
HETATM 353 C C   . DPR A 1 42 ? -2.754  -5.879  -22.245 1.00 37.22 ? 93  DPR A C   1 
HETATM 354 O O   . DPR A 1 42 ? -2.867  -6.221  -23.434 1.00 38.09 ? 93  DPR A O   1 
HETATM 355 N N   . DPR A 1 43 ? -3.426  -6.483  -21.256 1.00 36.98 ? 94  DPR A N   1 
HETATM 356 C CA  . DPR A 1 43 ? -4.267  -7.650  -21.514 1.00 37.38 ? 94  DPR A CA  1 
HETATM 357 C CB  . DPR A 1 43 ? -5.003  -7.832  -20.190 1.00 37.67 ? 94  DPR A CB  1 
HETATM 358 C CG  . DPR A 1 43 ? -4.024  -7.292  -19.180 1.00 37.08 ? 94  DPR A CG  1 
HETATM 359 C CD  . DPR A 1 43 ? -3.519  -6.057  -19.850 1.00 36.77 ? 94  DPR A CD  1 
HETATM 360 C C   . DPR A 1 43 ? -3.418  -8.873  -21.871 1.00 39.91 ? 94  DPR A C   1 
HETATM 361 O O   . DPR A 1 43 ? -2.262  -8.951  -21.381 1.00 36.56 ? 94  DPR A O   1 
ATOM   362 N N   . GLY B 2 1  ? -24.442 -11.054 -14.544 1.00 67.45 ? 1   GLY B N   1 
ATOM   363 C CA  . GLY B 2 1  ? -24.521 -11.393 -16.000 1.00 66.37 ? 1   GLY B CA  1 
ATOM   364 C C   . GLY B 2 1  ? -23.207 -11.934 -16.543 1.00 64.12 ? 1   GLY B C   1 
ATOM   365 O O   . GLY B 2 1  ? -22.753 -11.541 -17.624 1.00 64.72 ? 1   GLY B O   1 
HETATM 366 N N   . DGL B 2 2  ? -22.616 -12.872 -15.814 1.00 60.56 ? 2   DGL B N   1 
HETATM 367 C CA  . DGL B 2 2  ? -21.345 -13.453 -16.217 1.00 57.45 ? 2   DGL B CA  1 
HETATM 368 C C   . DGL B 2 2  ? -20.261 -12.778 -15.388 1.00 51.53 ? 2   DGL B C   1 
HETATM 369 O O   . DGL B 2 2  ? -20.452 -12.510 -14.203 1.00 49.74 ? 2   DGL B O   1 
HETATM 370 C CB  . DGL B 2 2  ? -21.337 -14.964 -15.974 1.00 62.10 ? 2   DGL B CB  1 
HETATM 371 C CG  . DGL B 2 2  ? -21.571 -15.364 -14.522 1.00 70.28 ? 2   DGL B CG  1 
HETATM 372 C CD  . DGL B 2 2  ? -21.661 -16.864 -14.339 1.00 75.73 ? 2   DGL B CD  1 
HETATM 373 O OE1 . DGL B 2 2  ? -22.796 -17.384 -14.233 1.00 78.31 ? 2   DGL B OE1 1 
HETATM 374 O OE2 . DGL B 2 2  ? -20.598 -17.524 -14.304 1.00 79.20 ? 2   DGL B OE2 1 
HETATM 375 N N   . DTR B 2 3  ? -19.153 -12.446 -16.028 1.00 43.60 ? 3   DTR B N   1 
HETATM 376 C CA  . DTR B 2 3  ? -18.059 -11.802 -15.337 1.00 38.11 ? 3   DTR B CA  1 
HETATM 377 C CB  . DTR B 2 3  ? -17.233 -10.982 -16.320 1.00 36.44 ? 3   DTR B CB  1 
HETATM 378 C CG  . DTR B 2 3  ? -17.968 -9.821  -16.867 1.00 34.97 ? 3   DTR B CG  1 
HETATM 379 C CD1 . DTR B 2 3  ? -18.742 -9.796  -17.988 1.00 36.03 ? 3   DTR B CD1 1 
HETATM 380 N NE1 . DTR B 2 3  ? -19.249 -8.530  -18.181 1.00 35.80 ? 3   DTR B NE1 1 
HETATM 381 C CE2 . DTR B 2 3  ? -18.802 -7.715  -17.175 1.00 33.15 ? 3   DTR B CE2 1 
HETATM 382 C CZ2 . DTR B 2 3  ? -19.040 -6.367  -16.942 1.00 32.14 ? 3   DTR B CZ2 1 
HETATM 383 C CH2 . DTR B 2 3  ? -18.458 -5.808  -15.846 1.00 29.27 ? 3   DTR B CH2 1 
HETATM 384 C CZ3 . DTR B 2 3  ? -17.655 -6.553  -14.987 1.00 29.99 ? 3   DTR B CZ3 1 
HETATM 385 C CE3 . DTR B 2 3  ? -17.415 -7.893  -15.213 1.00 30.77 ? 3   DTR B CE3 1 
HETATM 386 C CD2 . DTR B 2 3  ? -17.996 -8.494  -16.327 1.00 33.00 ? 3   DTR B CD2 1 
HETATM 387 C C   . DTR B 2 3  ? -17.174 -12.844 -14.685 1.00 37.64 ? 3   DTR B C   1 
HETATM 388 O O   . DTR B 2 3  ? -16.970 -13.926 -15.241 1.00 38.79 ? 3   DTR B O   1 
HETATM 389 N N   . DGL B 2 4  ? -16.658 -12.521 -13.504 1.00 35.03 ? 4   DGL B N   1 
HETATM 390 C CA  . DGL B 2 4  ? -15.759 -13.413 -12.790 1.00 33.65 ? 4   DGL B CA  1 
HETATM 391 C C   . DGL B 2 4  ? -14.512 -12.607 -12.468 1.00 29.75 ? 4   DGL B C   1 
HETATM 392 O O   . DGL B 2 4  ? -14.598 -11.436 -12.117 1.00 25.72 ? 4   DGL B O   1 
HETATM 393 C CB  . DGL B 2 4  ? -16.393 -13.940 -11.498 1.00 38.07 ? 4   DGL B CB  1 
HETATM 394 C CG  . DGL B 2 4  ? -16.301 -13.008 -10.301 1.00 47.40 ? 4   DGL B CG  1 
HETATM 395 C CD  . DGL B 2 4  ? -16.972 -13.583 -9.061  1.00 54.49 ? 4   DGL B CD  1 
HETATM 396 O OE1 . DGL B 2 4  ? -16.536 -14.657 -8.582  1.00 56.12 ? 4   DGL B OE1 1 
HETATM 397 O OE2 . DGL B 2 4  ? -17.941 -12.957 -8.565  1.00 57.55 ? 4   DGL B OE2 1 
HETATM 398 N N   . DIL B 2 5  ? -13.358 -13.215 -12.678 1.00 26.58 ? 5   DIL B N   1 
HETATM 399 C CA  . DIL B 2 5  ? -12.097 -12.572 -12.398 1.00 25.58 ? 5   DIL B CA  1 
HETATM 400 C C   . DIL B 2 5  ? -11.921 -12.644 -10.889 1.00 26.48 ? 5   DIL B C   1 
HETATM 401 O O   . DIL B 2 5  ? -12.204 -13.675 -10.276 1.00 25.12 ? 5   DIL B O   1 
HETATM 402 C CB  . DIL B 2 5  ? -10.939 -13.310 -13.119 1.00 27.05 ? 5   DIL B CB  1 
HETATM 403 C CG1 . DIL B 2 5  ? -11.191 -13.286 -14.625 1.00 27.80 ? 5   DIL B CG1 1 
HETATM 404 C CG2 . DIL B 2 5  ? -9.586  -12.682 -12.781 1.00 25.35 ? 5   DIL B CG2 1 
HETATM 405 C CD1 . DIL B 2 5  ? -10.113 -13.923 -15.425 1.00 33.89 ? 5   DIL B CD1 1 
HETATM 406 N N   . DIL B 2 6  ? -11.530 -11.522 -10.293 1.00 28.14 ? 6   DIL B N   1 
HETATM 407 C CA  . DIL B 2 6  ? -11.311 -11.424 -8.853  1.00 29.63 ? 6   DIL B CA  1 
HETATM 408 C C   . DIL B 2 6  ? -9.891  -10.909 -8.613  1.00 30.53 ? 6   DIL B C   1 
HETATM 409 O O   . DIL B 2 6  ? -9.282  -10.306 -9.496  1.00 28.01 ? 6   DIL B O   1 
HETATM 410 C CB  . DIL B 2 6  ? -12.328 -10.454 -8.193  1.00 31.72 ? 6   DIL B CB  1 
HETATM 411 C CG1 . DIL B 2 6  ? -12.116 -9.030  -8.730  1.00 34.97 ? 6   DIL B CG1 1 
HETATM 412 C CG2 . DIL B 2 6  ? -13.770 -10.924 -8.477  1.00 28.88 ? 6   DIL B CG2 1 
HETATM 413 C CD1 . DIL B 2 6  ? -13.005 -7.970  -8.104  1.00 36.07 ? 6   DIL B CD1 1 
HETATM 414 N N   . DAS B 2 7  ? -9.376  -11.145 -7.410  1.00 34.85 ? 7   DAS B N   1 
HETATM 415 C CA  . DAS B 2 7  ? -8.027  -10.726 -7.025  1.00 36.41 ? 7   DAS B CA  1 
HETATM 416 C C   . DAS B 2 7  ? -7.836  -9.213  -7.062  1.00 35.04 ? 7   DAS B C   1 
HETATM 417 O O   . DAS B 2 7  ? -8.796  -8.454  -7.115  1.00 36.76 ? 7   DAS B O   1 
HETATM 418 C CB  . DAS B 2 7  ? -7.705  -11.243 -5.620  1.00 43.80 ? 7   DAS B CB  1 
HETATM 419 C CG  . DAS B 2 7  ? -8.318  -10.384 -4.513  1.00 52.61 ? 7   DAS B CG  1 
HETATM 420 O OD1 . DAS B 2 7  ? -7.547  -9.728  -3.773  1.00 58.01 ? 7   DAS B OD1 1 
HETATM 421 O OD2 . DAS B 2 7  ? -9.566  -10.372 -4.371  1.00 59.25 ? 7   DAS B OD2 1 
HETATM 422 N N   . DIL B 2 8  ? -6.591  -8.770  -6.986  1.00 33.67 ? 8   DIL B N   1 
HETATM 423 C CA  . DIL B 2 8  ? -6.301  -7.343  -7.007  1.00 32.03 ? 8   DIL B CA  1 
HETATM 424 C C   . DIL B 2 8  ? -5.739  -6.815  -5.674  1.00 33.19 ? 8   DIL B C   1 
HETATM 425 O O   . DIL B 2 8  ? -4.732  -6.083  -5.637  1.00 34.85 ? 8   DIL B O   1 
HETATM 426 C CB  . DIL B 2 8  ? -5.366  -6.967  -8.193  1.00 32.25 ? 8   DIL B CB  1 
HETATM 427 C CG1 . DIL B 2 8  ? -4.041  -7.735  -8.094  1.00 30.36 ? 8   DIL B CG1 1 
HETATM 428 C CG2 . DIL B 2 8  ? -6.068  -7.260  -9.512  1.00 26.59 ? 8   DIL B CG2 1 
HETATM 429 C CD1 . DIL B 2 8  ? -3.042  -7.351  -9.134  1.00 30.87 ? 8   DIL B CD1 1 
ATOM   430 N N   . GLY B 2 9  ? -6.416  -7.155  -4.585  1.00 28.11 ? 9   GLY B N   1 
ATOM   431 C CA  . GLY B 2 9  ? -5.985  -6.685  -3.282  1.00 24.57 ? 9   GLY B CA  1 
ATOM   432 C C   . GLY B 2 9  ? -6.338  -5.228  -3.039  1.00 23.07 ? 9   GLY B C   1 
ATOM   433 O O   . GLY B 2 9  ? -6.739  -4.504  -3.958  1.00 20.98 ? 9   GLY B O   1 
HETATM 434 N N   . DPR B 2 10 ? -6.240  -4.770  -1.787  1.00 22.31 ? 10  DPR B N   1 
HETATM 435 C CA  . DPR B 2 10 ? -6.538  -3.396  -1.381  1.00 20.24 ? 10  DPR B CA  1 
HETATM 436 C CB  . DPR B 2 10 ? -6.429  -3.463  0.135   1.00 20.37 ? 10  DPR B CB  1 
HETATM 437 C CG  . DPR B 2 10 ? -5.345  -4.464  0.312   1.00 23.96 ? 10  DPR B CG  1 
HETATM 438 C CD  . DPR B 2 10 ? -5.778  -5.558  -0.637  1.00 23.93 ? 10  DPR B CD  1 
HETATM 439 C C   . DPR B 2 10 ? -7.909  -2.896  -1.818  1.00 19.04 ? 10  DPR B C   1 
HETATM 440 O O   . DPR B 2 10 ? -8.038  -1.741  -2.179  1.00 21.77 ? 10  DPR B O   1 
HETATM 441 N N   . DPN B 2 11 ? -8.931  -3.742  -1.779  1.00 19.07 ? 11  DPN B N   1 
HETATM 442 C CA  . DPN B 2 11 ? -10.259 -3.299  -2.208  1.00 19.47 ? 11  DPN B CA  1 
HETATM 443 C C   . DPN B 2 11 ? -10.180 -2.846  -3.685  1.00 19.47 ? 11  DPN B C   1 
HETATM 444 O O   . DPN B 2 11 ? -10.644 -1.751  -4.046  1.00 16.77 ? 11  DPN B O   1 
HETATM 445 C CB  . DPN B 2 11 ? -11.302 -4.420  -2.019  1.00 17.98 ? 11  DPN B CB  1 
HETATM 446 C CG  . DPN B 2 11 ? -12.699 -4.039  -2.448  1.00 18.82 ? 11  DPN B CG  1 
HETATM 447 C CD1 . DPN B 2 11 ? -13.586 -3.467  -1.551  1.00 19.02 ? 11  DPN B CD1 1 
HETATM 448 C CD2 . DPN B 2 11 ? -13.117 -4.237  -3.760  1.00 19.34 ? 11  DPN B CD2 1 
HETATM 449 C CE1 . DPN B 2 11 ? -14.861 -3.095  -1.951  1.00 19.42 ? 11  DPN B CE1 1 
HETATM 450 C CE2 . DPN B 2 11 ? -14.390 -3.865  -4.170  1.00 19.71 ? 11  DPN B CE2 1 
HETATM 451 C CZ  . DPN B 2 11 ? -15.263 -3.293  -3.266  1.00 18.96 ? 11  DPN B CZ  1 
HETATM 452 N N   . DTH B 2 12 ? -9.538  -3.668  -4.514  1.00 18.83 ? 12  DTH B N   1 
HETATM 453 C CA  . DTH B 2 12 ? -9.379  -3.391  -5.935  1.00 19.69 ? 12  DTH B CA  1 
HETATM 454 C CB  . DTH B 2 12 ? -8.753  -4.604  -6.654  1.00 24.66 ? 12  DTH B CB  1 
HETATM 455 C CG2 . DTH B 2 12 ? -8.897  -4.466  -8.162  1.00 25.13 ? 12  DTH B CG2 1 
HETATM 456 O OG1 . DTH B 2 12 ? -9.431  -5.795  -6.243  1.00 27.44 ? 12  DTH B OG1 1 
HETATM 457 C C   . DTH B 2 12 ? -8.530  -2.147  -6.179  1.00 18.86 ? 12  DTH B C   1 
HETATM 458 O O   . DTH B 2 12 ? -8.857  -1.307  -7.022  1.00 17.65 ? 12  DTH B O   1 
HETATM 459 N N   . DGN B 2 13 ? -7.455  -1.997  -5.420  1.00 18.30 ? 13  DGN B N   1 
HETATM 460 C CA  . DGN B 2 13 ? -6.605  -0.832  -5.599  1.00 18.74 ? 13  DGN B CA  1 
HETATM 461 C C   . DGN B 2 13 ? -7.424  0.417   -5.285  1.00 19.84 ? 13  DGN B C   1 
HETATM 462 O O   . DGN B 2 13 ? -7.315  1.446   -5.966  1.00 20.26 ? 13  DGN B O   1 
HETATM 463 C CB  . DGN B 2 13 ? -5.348  -0.917  -4.723  1.00 19.25 ? 13  DGN B CB  1 
HETATM 464 C CG  . DGN B 2 13 ? -4.441  -2.130  -5.024  1.00 18.51 ? 13  DGN B CG  1 
HETATM 465 C CD  . DGN B 2 13 ? -3.983  -2.181  -6.467  1.00 20.06 ? 13  DGN B CD  1 
HETATM 466 O OE1 . DGN B 2 13 ? -3.682  -1.153  -7.062  1.00 22.42 ? 13  DGN B OE1 1 
HETATM 467 N NE2 . DGN B 2 13 ? -3.948  -3.367  -7.043  1.00 19.12 ? 13  DGN B NE2 1 
HETATM 468 N N   . DSG B 2 14 ? -8.319  0.299   -4.312  1.00 18.83 ? 14  DSG B N   1 
HETATM 469 C CA  . DSG B 2 14 ? -9.147  1.426   -3.933  1.00 18.66 ? 14  DSG B CA  1 
HETATM 470 C C   . DSG B 2 14 ? -10.103 1.808   -5.053  1.00 15.95 ? 14  DSG B C   1 
HETATM 471 O O   . DSG B 2 14 ? -10.399 2.990   -5.233  1.00 16.74 ? 14  DSG B O   1 
HETATM 472 C CB  . DSG B 2 14 ? -9.934  1.135   -2.672  1.00 21.89 ? 14  DSG B CB  1 
HETATM 473 C CG  . DSG B 2 14 ? -10.401 2.388   -2.020  1.00 29.89 ? 14  DSG B CG  1 
HETATM 474 O OD1 . DSG B 2 14 ? -11.528 2.845   -2.230  1.00 34.98 ? 14  DSG B OD1 1 
HETATM 475 N ND2 . DSG B 2 14 ? -9.513  2.997   -1.249  1.00 36.22 ? 14  DSG B ND2 1 
HETATM 476 N N   . DLE B 2 15 ? -10.612 0.805   -5.769  1.00 14.71 ? 15  DLE B N   1 
HETATM 477 C CA  . DLE B 2 15 ? -11.497 1.049   -6.908  1.00 16.03 ? 15  DLE B CA  1 
HETATM 478 C CB  . DLE B 2 15 ? -12.026 -0.263  -7.467  1.00 15.04 ? 15  DLE B CB  1 
HETATM 479 C CG  . DLE B 2 15 ? -13.112 -1.009  -6.699  1.00 16.61 ? 15  DLE B CG  1 
HETATM 480 C CD1 . DLE B 2 15 ? -13.267 -2.356  -7.351  1.00 17.51 ? 15  DLE B CD1 1 
HETATM 481 C CD2 . DLE B 2 15 ? -14.438 -0.236  -6.701  1.00 16.50 ? 15  DLE B CD2 1 
HETATM 482 C C   . DLE B 2 15 ? -10.717 1.814   -7.991  1.00 16.14 ? 15  DLE B C   1 
HETATM 483 O O   . DLE B 2 15 ? -11.256 2.719   -8.610  1.00 14.98 ? 15  DLE B O   1 
ATOM   484 N N   . GLY B 2 16 ? -9.440  1.470   -8.181  1.00 15.86 ? 16  GLY B N   1 
ATOM   485 C CA  . GLY B 2 16 ? -8.608  2.163   -9.153  1.00 14.80 ? 16  GLY B CA  1 
ATOM   486 C C   . GLY B 2 16 ? -8.376  3.625   -8.781  1.00 13.41 ? 16  GLY B C   1 
ATOM   487 O O   . GLY B 2 16 ? -8.363  4.504   -9.643  1.00 13.50 ? 16  GLY B O   1 
HETATM 488 N N   . DLY B 2 17 ? -8.194  3.883   -7.485  1.00 15.34 ? 17  DLY B N   1 
HETATM 489 C CA  . DLY B 2 17 ? -7.965  5.233   -6.982  1.00 15.21 ? 17  DLY B CA  1 
HETATM 490 C C   . DLY B 2 17 ? -9.233  6.037   -7.215  1.00 15.51 ? 17  DLY B C   1 
HETATM 491 O O   . DLY B 2 17 ? -9.174  7.186   -7.643  1.00 17.18 ? 17  DLY B O   1 
HETATM 492 C CB  . DLY B 2 17 ? -7.627  5.195   -5.486  1.00 20.49 ? 17  DLY B CB  1 
HETATM 493 C CG  . DLY B 2 17 ? -7.423  6.565   -4.831  1.00 28.00 ? 17  DLY B CG  1 
HETATM 494 C CD  . DLY B 2 17 ? -6.044  7.167   -5.127  1.00 37.38 ? 17  DLY B CD  1 
HETATM 495 C CE  . DLY B 2 17 ? -6.129  8.512   -5.858  1.00 37.51 ? 17  DLY B CE  1 
HETATM 496 N NZ  . DLY B 2 17 ? -6.732  8.432   -7.241  1.00 35.44 ? 17  DLY B NZ  1 
HETATM 497 N N   . DPN B 2 18 ? -10.378 5.420   -6.948  1.00 15.41 ? 18  DPN B N   1 
HETATM 498 C CA  . DPN B 2 18 ? -11.671 6.058   -7.160  1.00 13.29 ? 18  DPN B CA  1 
HETATM 499 C C   . DPN B 2 18 ? -11.814 6.459   -8.637  1.00 14.58 ? 18  DPN B C   1 
HETATM 500 O O   . DPN B 2 18 ? -12.239 7.574   -8.946  1.00 13.11 ? 18  DPN B O   1 
HETATM 501 C CB  . DPN B 2 18 ? -12.813 5.101   -6.765  1.00 14.23 ? 18  DPN B CB  1 
HETATM 502 C CG  . DPN B 2 18 ? -14.172 5.598   -7.148  1.00 16.38 ? 18  DPN B CG  1 
HETATM 503 C CD1 . DPN B 2 18 ? -14.791 6.600   -6.416  1.00 21.31 ? 18  DPN B CD1 1 
HETATM 504 C CD2 . DPN B 2 18 ? -14.802 5.116   -8.285  1.00 19.08 ? 18  DPN B CD2 1 
HETATM 505 C CE1 . DPN B 2 18 ? -16.017 7.122   -6.813  1.00 19.53 ? 18  DPN B CE1 1 
HETATM 506 C CE2 . DPN B 2 18 ? -16.018 5.631   -8.686  1.00 21.15 ? 18  DPN B CE2 1 
HETATM 507 C CZ  . DPN B 2 18 ? -16.625 6.635   -7.951  1.00 20.23 ? 18  DPN B CZ  1 
HETATM 508 N N   . DAL B 2 19 ? -11.446 5.548   -9.542  1.00 13.39 ? 19  DAL B N   1 
HETATM 509 C CA  . DAL B 2 19 ? -11.544 5.791   -10.986 1.00 12.35 ? 19  DAL B CA  1 
HETATM 510 C CB  . DAL B 2 19 ? -11.139 4.532   -11.771 1.00 15.14 ? 19  DAL B CB  1 
HETATM 511 C C   . DAL B 2 19 ? -10.686 6.984   -11.406 1.00 15.60 ? 19  DAL B C   1 
HETATM 512 O O   . DAL B 2 19 ? -11.140 7.844   -12.147 1.00 15.41 ? 19  DAL B O   1 
HETATM 513 N N   . DVA B 2 20 ? -9.454  7.042   -10.917 1.00 15.92 ? 20  DVA B N   1 
HETATM 514 C CA  . DVA B 2 20 ? -8.554  8.143   -11.246 1.00 18.50 ? 20  DVA B CA  1 
HETATM 515 C CB  . DVA B 2 20 ? -7.120  7.861   -10.746 1.00 18.60 ? 20  DVA B CB  1 
HETATM 516 C CG1 . DVA B 2 20 ? -6.220  9.098   -10.939 1.00 17.95 ? 20  DVA B CG1 1 
HETATM 517 C CG2 . DVA B 2 20 ? -6.543  6.661   -11.514 1.00 18.41 ? 20  DVA B CG2 1 
HETATM 518 C C   . DVA B 2 20 ? -9.079  9.459   -10.680 1.00 17.27 ? 20  DVA B C   1 
HETATM 519 O O   . DVA B 2 20 ? -9.075  10.478  -11.374 1.00 18.72 ? 20  DVA B O   1 
HETATM 520 N N   . DAS B 2 21 ? -9.563  9.442   -9.445  1.00 17.52 ? 21  DAS B N   1 
HETATM 521 C CA  . DAS B 2 21 ? -10.117 10.659  -8.838  1.00 20.66 ? 21  DAS B CA  1 
HETATM 522 C C   . DAS B 2 21 ? -11.286 11.214  -9.640  1.00 19.26 ? 21  DAS B C   1 
HETATM 523 O O   . DAS B 2 21 ? -11.384 12.414  -9.845  1.00 19.83 ? 21  DAS B O   1 
HETATM 524 C CB  . DAS B 2 21 ? -10.559 10.412  -7.399  1.00 19.17 ? 21  DAS B CB  1 
HETATM 525 C CG  . DAS B 2 21 ? -9.397  10.307  -6.457  1.00 23.73 ? 21  DAS B CG  1 
HETATM 526 O OD1 . DAS B 2 21 ? -8.304  10.781  -6.817  1.00 24.29 ? 21  DAS B OD1 1 
HETATM 527 O OD2 . DAS B 2 21 ? -9.568  9.743   -5.364  1.00 25.82 ? 21  DAS B OD2 1 
HETATM 528 N N   . DGL B 2 22 ? -12.168 10.330  -10.088 1.00 19.55 ? 22  DGL B N   1 
HETATM 529 C CA  . DGL B 2 22 ? -13.316 10.727  -10.882 1.00 18.17 ? 22  DGL B CA  1 
HETATM 530 C C   . DGL B 2 22 ? -12.887 11.196  -12.253 1.00 18.05 ? 22  DGL B C   1 
HETATM 531 O O   . DGL B 2 22 ? -13.443 12.150  -12.786 1.00 19.30 ? 22  DGL B O   1 
HETATM 532 C CB  . DGL B 2 22 ? -14.293 9.569   -10.986 1.00 18.17 ? 22  DGL B CB  1 
HETATM 533 C CG  . DGL B 2 22 ? -15.009 9.326   -9.678  1.00 21.85 ? 22  DGL B CG  1 
HETATM 534 C CD  . DGL B 2 22 ? -15.799 10.551  -9.249  1.00 24.83 ? 22  DGL B CD  1 
HETATM 535 O OE1 . DGL B 2 22 ? -16.606 11.041  -10.063 1.00 25.42 ? 22  DGL B OE1 1 
HETATM 536 O OE2 . DGL B 2 22 ? -15.590 11.036  -8.123  1.00 23.40 ? 22  DGL B OE2 1 
HETATM 537 N N   . DGL B 2 23 ? -11.905 10.522  -12.836 1.00 16.66 ? 23  DGL B N   1 
HETATM 538 C CA  . DGL B 2 23 ? -11.414 10.927  -14.136 1.00 15.79 ? 23  DGL B CA  1 
HETATM 539 C C   . DGL B 2 23 ? -10.763 12.326  -14.072 1.00 16.93 ? 23  DGL B C   1 
HETATM 540 O O   . DGL B 2 23 ? -10.900 13.140  -14.995 1.00 19.48 ? 23  DGL B O   1 
HETATM 541 C CB  . DGL B 2 23 ? -10.436 9.888   -14.683 1.00 14.93 ? 23  DGL B CB  1 
HETATM 542 C CG  . DGL B 2 23 ? -9.952  10.176  -16.102 1.00 17.96 ? 23  DGL B CG  1 
HETATM 543 C CD  . DGL B 2 23 ? -11.079 10.431  -17.086 1.00 24.00 ? 23  DGL B CD  1 
HETATM 544 O OE1 . DGL B 2 23 ? -10.897 11.293  -17.971 1.00 29.58 ? 23  DGL B OE1 1 
HETATM 545 O OE2 . DGL B 2 23 ? -12.147 9.787   -16.989 1.00 26.83 ? 23  DGL B OE2 1 
HETATM 546 N N   . DSG B 2 24 ? -10.096 12.620  -12.966 1.00 19.60 ? 24  DSG B N   1 
HETATM 547 C CA  . DSG B 2 24 ? -9.446  13.915  -12.799 1.00 20.52 ? 24  DSG B CA  1 
HETATM 548 C C   . DSG B 2 24 ? -10.428 15.068  -12.766 1.00 22.64 ? 24  DSG B C   1 
HETATM 549 O O   . DSG B 2 24 ? -10.046 16.193  -13.063 1.00 20.87 ? 24  DSG B O   1 
HETATM 550 C CB  . DSG B 2 24 ? -8.535  13.930  -11.564 1.00 22.25 ? 24  DSG B CB  1 
HETATM 551 C CG  . DSG B 2 24 ? -7.160  13.349  -11.861 1.00 21.17 ? 24  DSG B CG  1 
HETATM 552 O OD1 . DSG B 2 24 ? -6.750  13.289  -13.015 1.00 24.15 ? 24  DSG B OD1 1 
HETATM 553 N ND2 . DSG B 2 24 ? -6.455  12.912  -10.834 1.00 19.02 ? 24  DSG B ND2 1 
HETATM 554 N N   . DLY B 2 25 ? -11.686 14.784  -12.416 1.00 21.95 ? 25  DLY B N   1 
HETATM 555 C CA  . DLY B 2 25 ? -12.732 15.805  -12.371 1.00 21.82 ? 25  DLY B CA  1 
HETATM 556 C C   . DLY B 2 25 ? -13.221 16.074  -13.794 1.00 24.48 ? 25  DLY B C   1 
HETATM 557 O O   . DLY B 2 25 ? -13.738 17.154  -14.083 1.00 25.48 ? 25  DLY B O   1 
HETATM 558 C CB  . DLY B 2 25 ? -13.909 15.360  -11.508 1.00 22.52 ? 25  DLY B CB  1 
HETATM 559 C CG  . DLY B 2 25 ? -13.597 15.081  -10.050 1.00 24.05 ? 25  DLY B CG  1 
HETATM 560 C CD  . DLY B 2 25 ? -14.850 14.568  -9.353  1.00 27.00 ? 25  DLY B CD  1 
HETATM 561 C CE  . DLY B 2 25 ? -14.562 14.145  -7.932  1.00 30.58 ? 25  DLY B CE  1 
HETATM 562 N NZ  . DLY B 2 25 ? -15.790 13.707  -7.223  1.00 33.91 ? 25  DLY B NZ  1 
HETATM 563 N N   . DIL B 2 26 ? -13.073 15.086  -14.674 1.00 27.49 ? 26  DIL B N   1 
HETATM 564 C CA  . DIL B 2 26 ? -13.474 15.230  -16.073 1.00 30.89 ? 26  DIL B CA  1 
HETATM 565 C C   . DIL B 2 26 ? -12.316 15.900  -16.835 1.00 33.22 ? 26  DIL B C   1 
HETATM 566 O O   . DIL B 2 26 ? -12.529 16.686  -17.755 1.00 34.55 ? 26  DIL B O   1 
HETATM 567 C CB  . DIL B 2 26 ? -13.813 13.853  -16.702 1.00 32.61 ? 26  DIL B CB  1 
HETATM 568 C CG1 . DIL B 2 26 ? -14.911 13.160  -15.880 1.00 33.12 ? 26  DIL B CG1 1 
HETATM 569 C CG2 . DIL B 2 26 ? -14.222 14.018  -18.170 1.00 34.04 ? 26  DIL B CG2 1 
HETATM 570 C CD1 . DIL B 2 26 ? -15.263 11.761  -16.351 1.00 31.14 ? 26  DIL B CD1 1 
ATOM   571 N N   . GLY B 2 27 ? -11.088 15.561  -16.462 1.00 34.11 ? 27  GLY B N   1 
ATOM   572 C CA  . GLY B 2 27 ? -9.926  16.171  -17.081 1.00 34.30 ? 27  GLY B CA  1 
ATOM   573 C C   . GLY B 2 27 ? -9.563  15.772  -18.491 1.00 35.50 ? 27  GLY B C   1 
ATOM   574 O O   . GLY B 2 27 ? -8.617  16.312  -19.058 1.00 36.23 ? 27  GLY B O   1 
HETATM 575 N N   . DGN B 2 28 ? -10.272 14.800  -19.045 1.00 35.64 ? 28  DGN B N   1 
HETATM 576 C CA  . DGN B 2 28 ? -9.999  14.350  -20.393 1.00 38.23 ? 28  DGN B CA  1 
HETATM 577 C C   . DGN B 2 28 ? -8.540  13.963  -20.643 1.00 38.88 ? 28  DGN B C   1 
HETATM 578 O O   . DGN B 2 28 ? -8.015  14.215  -21.729 1.00 41.94 ? 28  DGN B O   1 
HETATM 579 C CB  . DGN B 2 28 ? -10.905 13.181  -20.750 1.00 42.41 ? 28  DGN B CB  1 
HETATM 580 C CG  . DGN B 2 28 ? -10.726 12.704  -22.172 1.00 48.66 ? 28  DGN B CG  1 
HETATM 581 C CD  . DGN B 2 28 ? -11.786 11.720  -22.590 1.00 53.37 ? 28  DGN B CD  1 
HETATM 582 O OE1 . DGN B 2 28 ? -12.952 11.837  -22.198 1.00 56.48 ? 28  DGN B OE1 1 
HETATM 583 N NE2 . DGN B 2 28 ? -11.393 10.735  -23.392 1.00 58.72 ? 28  DGN B NE2 1 
HETATM 584 N N   . DTY B 2 29 ? -7.882  13.358  -19.659 1.00 36.55 ? 29  DTY B N   1 
HETATM 585 C CA  . DTY B 2 29 ? -6.493  12.946  -19.843 1.00 35.22 ? 29  DTY B CA  1 
HETATM 586 C C   . DTY B 2 29 ? -5.538  13.780  -18.998 1.00 35.68 ? 29  DTY B C   1 
HETATM 587 O O   . DTY B 2 29 ? -4.455  13.323  -18.629 1.00 37.58 ? 29  DTY B O   1 
HETATM 588 C CB  . DTY B 2 29 ? -6.333  11.450  -19.540 1.00 31.64 ? 29  DTY B CB  1 
HETATM 589 C CG  . DTY B 2 29 ? -7.148  10.574  -20.462 1.00 30.10 ? 29  DTY B CG  1 
HETATM 590 C CD1 . DTY B 2 29 ? -6.717  10.310  -21.760 1.00 28.14 ? 29  DTY B CD1 1 
HETATM 591 C CD2 . DTY B 2 29 ? -8.387  10.081  -20.071 1.00 29.52 ? 29  DTY B CD2 1 
HETATM 592 C CE1 . DTY B 2 29 ? -7.498  9.595   -22.646 1.00 28.59 ? 29  DTY B CE1 1 
HETATM 593 C CE2 . DTY B 2 29 ? -9.180  9.356   -20.953 1.00 28.94 ? 29  DTY B CE2 1 
HETATM 594 C CZ  . DTY B 2 29 ? -8.730  9.120   -22.242 1.00 31.68 ? 29  DTY B CZ  1 
HETATM 595 O OH  . DTY B 2 29 ? -9.516  8.429   -23.141 1.00 30.69 ? 29  DTY B OH  1 
ATOM   596 N N   . GLY B 2 30 ? -5.946  15.008  -18.697 1.00 34.47 ? 30  GLY B N   1 
ATOM   597 C CA  . GLY B 2 30 ? -5.111  15.895  -17.905 1.00 34.01 ? 30  GLY B CA  1 
ATOM   598 C C   . GLY B 2 30 ? -5.163  15.520  -16.449 1.00 32.35 ? 30  GLY B C   1 
ATOM   599 O O   . GLY B 2 30 ? -6.143  14.925  -16.000 1.00 35.70 ? 30  GLY B O   1 
HETATM 600 N N   . DAR B 2 31 ? -4.140  15.885  -15.693 1.00 30.12 ? 31  DAR B N   1 
HETATM 601 C CA  . DAR B 2 31 ? -4.120  15.536  -14.283 1.00 30.02 ? 31  DAR B CA  1 
HETATM 602 C CB  . DAR B 2 31 ? -3.443  16.632  -13.455 1.00 34.34 ? 31  DAR B CB  1 
HETATM 603 C CG  . DAR B 2 31 ? -3.556  16.398  -11.957 1.00 40.21 ? 31  DAR B CG  1 
HETATM 604 C CD  . DAR B 2 31 ? -3.589  17.690  -11.190 1.00 42.87 ? 31  DAR B CD  1 
HETATM 605 N NE  . DAR B 2 31 ? -2.325  18.403  -11.264 1.00 51.86 ? 31  DAR B NE  1 
HETATM 606 C CZ  . DAR B 2 31 ? -1.513  18.598  -10.228 1.00 54.22 ? 31  DAR B CZ  1 
HETATM 607 N NH1 . DAR B 2 31 ? -0.385  19.273  -10.401 1.00 54.41 ? 31  DAR B NH1 1 
HETATM 608 N NH2 . DAR B 2 31 ? -1.822  18.122  -9.024  1.00 54.96 ? 31  DAR B NH2 1 
HETATM 609 C C   . DAR B 2 31 ? -3.372  14.217  -14.150 1.00 28.32 ? 31  DAR B C   1 
HETATM 610 O O   . DAR B 2 31 ? -2.179  14.149  -14.434 1.00 30.06 ? 31  DAR B O   1 
HETATM 611 N N   . DLE B 2 32 ? -4.081  13.160  -13.771 1.00 23.66 ? 32  DLE B N   1 
HETATM 612 C CA  . DLE B 2 32 ? -3.456  11.847  -13.639 1.00 23.46 ? 32  DLE B CA  1 
HETATM 613 C CB  . DLE B 2 32 ? -4.412  10.754  -14.116 1.00 21.79 ? 32  DLE B CB  1 
HETATM 614 C CG  . DLE B 2 32 ? -4.863  10.734  -15.571 1.00 23.62 ? 32  DLE B CG  1 
HETATM 615 C CD1 . DLE B 2 32 ? -6.002  9.735   -15.722 1.00 26.34 ? 32  DLE B CD1 1 
HETATM 616 C CD2 . DLE B 2 32 ? -3.694  10.371  -16.481 1.00 25.18 ? 32  DLE B CD2 1 
HETATM 617 C C   . DLE B 2 32 ? -3.049  11.544  -12.210 1.00 22.21 ? 32  DLE B C   1 
HETATM 618 O O   . DLE B 2 32 ? -3.596  12.103  -11.259 1.00 23.93 ? 32  DLE B O   1 
HETATM 619 N N   . DTH B 2 33 ? -2.107  10.622  -12.076 1.00 22.98 ? 33  DTH B N   1 
HETATM 620 C CA  . DTH B 2 33 ? -1.617  10.168  -10.785 1.00 22.09 ? 33  DTH B CA  1 
HETATM 621 C CB  . DTH B 2 33 ? -0.128  10.462  -10.650 1.00 20.75 ? 33  DTH B CB  1 
HETATM 622 C CG2 . DTH B 2 33 ? 0.390   9.939   -9.355  1.00 22.27 ? 33  DTH B CG2 1 
HETATM 623 O OG1 . DTH B 2 33 ? 0.080   11.875  -10.723 1.00 24.73 ? 33  DTH B OG1 1 
HETATM 624 C C   . DTH B 2 33 ? -1.832  8.651   -10.737 1.00 23.29 ? 33  DTH B C   1 
HETATM 625 O O   . DTH B 2 33 ? -1.290  7.921   -11.579 1.00 21.41 ? 33  DTH B O   1 
HETATM 626 N N   . DPN B 2 34 ? -2.663  8.184   -9.805  1.00 19.85 ? 34  DPN B N   1 
HETATM 627 C CA  . DPN B 2 34 ? -2.927  6.758   -9.689  1.00 19.52 ? 34  DPN B CA  1 
HETATM 628 C C   . DPN B 2 34 ? -1.669  5.985   -9.342  1.00 20.43 ? 34  DPN B C   1 
HETATM 629 O O   . DPN B 2 34 ? -0.965  6.335   -8.400  1.00 19.65 ? 34  DPN B O   1 
HETATM 630 C CB  . DPN B 2 34 ? -3.991  6.466   -8.629  1.00 17.71 ? 34  DPN B CB  1 
HETATM 631 C CG  . DPN B 2 34 ? -4.163  4.989   -8.320  1.00 18.91 ? 34  DPN B CG  1 
HETATM 632 C CD1 . DPN B 2 34 ? -3.739  4.464   -7.113  1.00 19.56 ? 34  DPN B CD1 1 
HETATM 633 C CD2 . DPN B 2 34 ? -4.733  4.126   -9.246  1.00 18.07 ? 34  DPN B CD2 1 
HETATM 634 C CE1 . DPN B 2 34 ? -3.882  3.104   -6.843  1.00 21.09 ? 34  DPN B CE1 1 
HETATM 635 C CE2 . DPN B 2 34 ? -4.875  2.779   -8.981  1.00 15.22 ? 34  DPN B CE2 1 
HETATM 636 C CZ  . DPN B 2 34 ? -4.449  2.268   -7.779  1.00 16.17 ? 34  DPN B CZ  1 
HETATM 637 N N   . DSG B 2 35 ? -1.404  4.930   -10.106 1.00 18.14 ? 35  DSG B N   1 
HETATM 638 C CA  . DSG B 2 35 ? -0.253  4.081   -9.868  1.00 18.99 ? 35  DSG B CA  1 
HETATM 639 C C   . DSG B 2 35 ? -0.726  2.765   -9.224  1.00 20.78 ? 35  DSG B C   1 
HETATM 640 O O   . DSG B 2 35 ? -0.421  2.491   -8.063  1.00 22.07 ? 35  DSG B O   1 
HETATM 641 C CB  . DSG B 2 35 ? 0.495   3.792   -11.175 1.00 19.10 ? 35  DSG B CB  1 
HETATM 642 C CG  . DSG B 2 35 ? 1.032   5.052   -11.851 1.00 21.60 ? 35  DSG B CG  1 
HETATM 643 O OD1 . DSG B 2 35 ? 0.847   5.243   -13.055 1.00 21.70 ? 35  DSG B OD1 1 
HETATM 644 N ND2 . DSG B 2 35 ? 1.704   5.901   -11.093 1.00 22.06 ? 35  DSG B ND2 1 
HETATM 645 N N   . DLY B 2 36 ? -1.493  1.966   -9.967  1.00 20.80 ? 36  DLY B N   1 
HETATM 646 C CA  . DLY B 2 36 ? -1.987  0.697   -9.457  1.00 18.47 ? 36  DLY B CA  1 
HETATM 647 C C   . DLY B 2 36 ? -2.939  0.018   -10.434 1.00 17.48 ? 36  DLY B C   1 
HETATM 648 O O   . DLY B 2 36 ? -3.018  0.402   -11.600 1.00 17.86 ? 36  DLY B O   1 
HETATM 649 C CB  . DLY B 2 36 ? -0.823  -0.260  -9.200  1.00 22.38 ? 36  DLY B CB  1 
HETATM 650 C CG  . DLY B 2 36 ? -0.148  -0.743  -10.464 1.00 26.87 ? 36  DLY B CG  1 
HETATM 651 C CD  . DLY B 2 36 ? 0.949   -1.716  -10.093 1.00 36.82 ? 36  DLY B CD  1 
HETATM 652 C CE  . DLY B 2 36 ? 1.879   -1.993  -11.249 1.00 41.35 ? 36  DLY B CE  1 
HETATM 653 N NZ  . DLY B 2 36 ? 3.048   -2.781  -10.769 1.00 47.35 ? 36  DLY B NZ  1 
HETATM 654 N N   . DVA B 2 37 ? -3.691  -0.953  -9.924  1.00 17.32 ? 37  DVA B N   1 
HETATM 655 C CA  . DVA B 2 37 ? -4.607  -1.760  -10.721 1.00 18.20 ? 37  DVA B CA  1 
HETATM 656 C CB  . DVA B 2 37 ? -5.920  -2.032  -9.974  1.00 15.53 ? 37  DVA B CB  1 
HETATM 657 C CG1 . DVA B 2 37 ? -6.810  -2.922  -10.807 1.00 15.80 ? 37  DVA B CG1 1 
HETATM 658 C CG2 . DVA B 2 37 ? -6.630  -0.735  -9.680  1.00 14.55 ? 37  DVA B CG2 1 
HETATM 659 C C   . DVA B 2 37 ? -3.889  -3.100  -10.959 1.00 20.50 ? 37  DVA B C   1 
HETATM 660 O O   . DVA B 2 37 ? -3.320  -3.684  -10.027 1.00 21.12 ? 37  DVA B O   1 
HETATM 661 N N   . DIL B 2 38 ? -3.867  -3.549  -12.208 1.00 18.03 ? 38  DIL B N   1 
HETATM 662 C CA  . DIL B 2 38 ? -3.229  -4.815  -12.556 1.00 19.68 ? 38  DIL B CA  1 
HETATM 663 C C   . DIL B 2 38 ? -4.288  -5.842  -12.949 1.00 20.48 ? 38  DIL B C   1 
HETATM 664 O O   . DIL B 2 38 ? -5.457  -5.508  -13.122 1.00 20.85 ? 38  DIL B O   1 
HETATM 665 C CB  . DIL B 2 38 ? -2.259  -4.642  -13.738 1.00 20.46 ? 38  DIL B CB  1 
HETATM 666 C CG1 . DIL B 2 38 ? -3.036  -4.232  -14.996 1.00 20.82 ? 38  DIL B CG1 1 
HETATM 667 C CG2 . DIL B 2 38 ? -1.175  -3.636  -13.384 1.00 16.52 ? 38  DIL B CG2 1 
HETATM 668 C CD1 . DIL B 2 38 ? -2.257  -4.403  -16.264 1.00 21.30 ? 38  DIL B CD1 1 
HETATM 669 N N   . DAR B 2 39 ? -3.882  -7.096  -13.079 1.00 19.18 ? 39  DAR B N   1 
HETATM 670 C CA  . DAR B 2 39 ? -4.800  -8.156  -13.462 1.00 19.86 ? 39  DAR B CA  1 
HETATM 671 C CB  . DAR B 2 39 ? -4.176  -9.511  -13.165 1.00 22.83 ? 39  DAR B CB  1 
HETATM 672 C CG  . DAR B 2 39 ? -3.746  -9.681  -11.740 1.00 24.00 ? 39  DAR B CG  1 
HETATM 673 C CD  . DAR B 2 39 ? -3.129  -11.035 -11.544 1.00 29.02 ? 39  DAR B CD  1 
HETATM 674 N NE  . DAR B 2 39 ? -2.657  -11.213 -10.179 1.00 34.68 ? 39  DAR B NE  1 
HETATM 675 C CZ  . DAR B 2 39 ? -3.357  -11.796 -9.215  1.00 36.31 ? 39  DAR B CZ  1 
HETATM 676 N NH1 . DAR B 2 39 ? -2.829  -11.904 -8.006  1.00 38.13 ? 39  DAR B NH1 1 
HETATM 677 N NH2 . DAR B 2 39 ? -4.570  -12.279 -9.459  1.00 37.54 ? 39  DAR B NH2 1 
HETATM 678 C C   . DAR B 2 39 ? -5.048  -8.050  -14.952 1.00 20.43 ? 39  DAR B C   1 
HETATM 679 O O   . DAR B 2 39 ? -4.209  -7.535  -15.674 1.00 23.02 ? 39  DAR B O   1 
HETATM 680 N N   . DPR B 2 40 ? -6.204  -8.529  -15.436 1.00 20.15 ? 40  DPR B N   1 
HETATM 681 C CA  . DPR B 2 40 ? -7.261  -9.150  -14.649 1.00 21.38 ? 40  DPR B CA  1 
HETATM 682 C CB  . DPR B 2 40 ? -7.850  -10.146 -15.639 1.00 21.67 ? 40  DPR B CB  1 
HETATM 683 C CG  . DPR B 2 40 ? -7.874  -9.354  -16.886 1.00 20.02 ? 40  DPR B CG  1 
HETATM 684 C CD  . DPR B 2 40 ? -6.512  -8.645  -16.873 1.00 20.50 ? 40  DPR B CD  1 
HETATM 685 C C   . DPR B 2 40 ? -8.304  -8.092  -14.278 1.00 20.63 ? 40  DPR B C   1 
HETATM 686 O O   . DPR B 2 40 ? -8.446  -7.085  -14.974 1.00 19.15 ? 40  DPR B O   1 
HETATM 687 N N   . DCY B 2 41 ? -8.958  -8.283  -13.140 1.00 19.61 ? 41  DCY B N   1 
HETATM 688 C CA  . DCY B 2 41 ? -10.012 -7.384  -12.720 1.00 19.73 ? 41  DCY B CA  1 
HETATM 689 C C   . DCY B 2 41 ? -11.247 -8.242  -12.815 1.00 18.15 ? 41  DCY B C   1 
HETATM 690 O O   . DCY B 2 41 ? -11.238 -9.377  -12.343 1.00 20.38 ? 41  DCY B O   1 
HETATM 691 C CB  . DCY B 2 41 ? -9.825  -6.915  -11.281 1.00 19.37 ? 41  DCY B CB  1 
HETATM 692 S SG  . DCY B 2 41 ? -11.219 -5.896  -10.709 1.00 23.80 ? 41  DCY B SG  1 
HETATM 693 N N   . MED B 2 42 ? -12.298 -7.710  -13.425 1.00 16.31 ? 42  MED B N   1 
HETATM 694 C CA  . MED B 2 42 ? -13.540 -8.452  -13.589 1.00 19.73 ? 42  MED B CA  1 
HETATM 695 C C   . MED B 2 42 ? -14.668 -7.842  -12.789 1.00 18.66 ? 42  MED B C   1 
HETATM 696 O O   . MED B 2 42 ? -14.725 -6.633  -12.612 1.00 18.99 ? 42  MED B O   1 
HETATM 697 C CB  . MED B 2 42 ? -13.923 -8.513  -15.063 1.00 22.17 ? 42  MED B CB  1 
HETATM 698 C CG  . MED B 2 42 ? -12.767 -8.953  -15.928 1.00 35.78 ? 42  MED B CG  1 
HETATM 699 S SD  . MED B 2 42 ? -13.335 -9.961  -17.247 1.00 46.25 ? 42  MED B SD  1 
HETATM 700 C CE  . MED B 2 42 ? -13.520 -11.544 -16.378 1.00 46.95 ? 42  MED B CE  1 
HETATM 701 N N   . DLY B 2 43 ? -15.581 -8.680  -12.329 1.00 19.67 ? 43  DLY B N   1 
HETATM 702 C CA  . DLY B 2 43 ? -16.703 -8.211  -11.535 1.00 20.12 ? 43  DLY B CA  1 
HETATM 703 C C   . DLY B 2 43 ? -17.955 -8.900  -12.023 1.00 21.39 ? 43  DLY B C   1 
HETATM 704 O O   . DLY B 2 43 ? -17.950 -10.103 -12.294 1.00 20.34 ? 43  DLY B O   1 
HETATM 705 C CB  . DLY B 2 43 ? -16.468 -8.552  -10.063 1.00 23.07 ? 43  DLY B CB  1 
HETATM 706 C CG  . DLY B 2 43 ? -17.646 -8.230  -9.157  1.00 25.79 ? 43  DLY B CG  1 
HETATM 707 C CD  . DLY B 2 43 ? -17.405 -8.702  -7.744  1.00 28.93 ? 43  DLY B CD  1 
HETATM 708 C CE  . DLY B 2 43 ? -18.646 -8.515  -6.871  1.00 32.70 ? 43  DLY B CE  1 
HETATM 709 N NZ  . DLY B 2 43 ? -18.425 -9.038  -5.485  1.00 34.77 ? 43  DLY B NZ  1 
HETATM 710 N N   . DLY B 2 44 ? -19.033 -8.135  -12.118 1.00 23.91 ? 44  DLY B N   1 
HETATM 711 C CA  . DLY B 2 44 ? -20.322 -8.635  -12.566 1.00 23.92 ? 44  DLY B CA  1 
HETATM 712 C C   . DLY B 2 44 ? -21.355 -8.204  -11.533 1.00 23.54 ? 44  DLY B C   1 
HETATM 713 O O   . DLY B 2 44 ? -21.213 -7.164  -10.908 1.00 21.01 ? 44  DLY B O   1 
HETATM 714 C CB  . DLY B 2 44 ? -20.646 -7.986  -13.912 1.00 26.19 ? 44  DLY B CB  1 
HETATM 715 C CG  . DLY B 2 44 ? -22.001 -8.257  -14.498 1.00 32.33 ? 44  DLY B CG  1 
HETATM 716 C CD  . DLY B 2 44 ? -22.357 -7.107  -15.445 1.00 37.09 ? 44  DLY B CD  1 
HETATM 717 C CE  . DLY B 2 44 ? -23.043 -7.584  -16.725 1.00 42.87 ? 44  DLY B CE  1 
HETATM 718 N NZ  . DLY B 2 44 ? -24.407 -8.143  -16.497 1.00 47.27 ? 44  DLY B NZ  1 
HETATM 719 N N   . DTH B 2 45 ? -22.366 -9.038  -11.332 1.00 28.83 ? 45  DTH B N   1 
HETATM 720 C CA  . DTH B 2 45 ? -23.469 -8.762  -10.418 1.00 30.53 ? 45  DTH B CA  1 
HETATM 721 C CB  . DTH B 2 45 ? -23.760 -9.985  -9.529  1.00 32.87 ? 45  DTH B CB  1 
HETATM 722 C CG2 . DTH B 2 45 ? -24.909 -9.693  -8.577  1.00 35.08 ? 45  DTH B CG2 1 
HETATM 723 O OG1 . DTH B 2 45 ? -22.587 -10.299 -8.763  1.00 31.57 ? 45  DTH B OG1 1 
HETATM 724 C C   . DTH B 2 45 ? -24.695 -8.454  -11.282 1.00 31.79 ? 45  DTH B C   1 
HETATM 725 O O   . DTH B 2 45 ? -25.023 -9.215  -12.202 1.00 29.61 ? 45  DTH B O   1 
HETATM 726 N N   . DIL B 2 46 ? -25.286 -7.285  -11.045 1.00 33.74 ? 46  DIL B N   1 
HETATM 727 C CA  . DIL B 2 46 ? -26.476 -6.801  -11.758 1.00 36.28 ? 46  DIL B CA  1 
HETATM 728 C C   . DIL B 2 46 ? -27.683 -7.030  -10.849 1.00 39.51 ? 46  DIL B C   1 
HETATM 729 O O   . DIL B 2 46 ? -27.614 -6.749  -9.645  1.00 38.61 ? 46  DIL B O   1 
HETATM 730 C CB  . DIL B 2 46 ? -26.380 -5.280  -12.018 1.00 37.13 ? 46  DIL B CB  1 
HETATM 731 C CG1 . DIL B 2 46 ? -25.051 -4.925  -12.701 1.00 33.56 ? 46  DIL B CG1 1 
HETATM 732 C CG2 . DIL B 2 46 ? -27.592 -4.791  -12.834 1.00 36.51 ? 46  DIL B CG2 1 
HETATM 733 C CD1 . DIL B 2 46 ? -24.969 -5.348  -14.130 1.00 34.26 ? 46  DIL B CD1 1 
HETATM 734 N N   . DTY B 2 47 ? -28.783 -7.527  -11.413 1.00 44.64 ? 47  DTY B N   1 
HETATM 735 C CA  . DTY B 2 47 ? -29.997 -7.803  -10.632 1.00 48.05 ? 47  DTY B CA  1 
HETATM 736 C C   . DTY B 2 47 ? -31.194 -6.937  -10.994 1.00 50.77 ? 47  DTY B C   1 
HETATM 737 O O   . DTY B 2 47 ? -31.182 -6.200  -11.986 1.00 50.92 ? 47  DTY B O   1 
HETATM 738 C CB  . DTY B 2 47 ? -30.405 -9.281  -10.741 1.00 45.95 ? 47  DTY B CB  1 
HETATM 739 C CG  . DTY B 2 47 ? -29.463 -10.239 -10.048 1.00 47.32 ? 47  DTY B CG  1 
HETATM 740 C CD1 . DTY B 2 47 ? -28.393 -10.812 -10.735 1.00 49.34 ? 47  DTY B CD1 1 
HETATM 741 C CD2 . DTY B 2 47 ? -29.621 -10.553 -8.704  1.00 45.84 ? 47  DTY B CD2 1 
HETATM 742 C CE1 . DTY B 2 47 ? -27.505 -11.665 -10.100 1.00 47.28 ? 47  DTY B CE1 1 
HETATM 743 C CE2 . DTY B 2 47 ? -28.740 -11.403 -8.061  1.00 46.38 ? 47  DTY B CE2 1 
HETATM 744 C CZ  . DTY B 2 47 ? -27.681 -11.955 -8.766  1.00 47.60 ? 47  DTY B CZ  1 
HETATM 745 O OH  . DTY B 2 47 ? -26.782 -12.793 -8.140  1.00 49.98 ? 47  DTY B OH  1 
HETATM 746 N N   . DGL B 2 48 ? -32.245 -7.086  -10.194 1.00 56.44 ? 48  DGL B N   1 
HETATM 747 C CA  . DGL B 2 48 ? -33.509 -6.377  -10.350 1.00 60.48 ? 48  DGL B CA  1 
HETATM 748 C C   . DGL B 2 48 ? -33.430 -4.868  -10.495 1.00 61.57 ? 48  DGL B C   1 
HETATM 749 O O   . DGL B 2 48 ? -33.916 -4.143  -9.623  1.00 62.46 ? 48  DGL B O   1 
HETATM 750 C CB  . DGL B 2 48 ? -34.319 -7.000  -11.489 1.00 61.91 ? 48  DGL B CB  1 
HETATM 751 C CG  . DGL B 2 48 ? -35.175 -8.197  -11.051 1.00 67.01 ? 48  DGL B CG  1 
HETATM 752 C CD  . DGL B 2 48 ? -34.407 -9.243  -10.247 1.00 67.91 ? 48  DGL B CD  1 
HETATM 753 O OE1 . DGL B 2 48 ? -34.071 -10.309 -10.814 1.00 68.64 ? 48  DGL B OE1 1 
HETATM 754 O OE2 . DGL B 2 48 ? -34.159 -9.005  -9.043  1.00 66.49 ? 48  DGL B OE2 1 
HETATM 755 O O   . HOH C 3 .  ? -22.358 -2.633  -3.082  1.00 28.02 ? 95  HOH A O   1 
HETATM 756 O O   . HOH C 3 .  ? -10.549 -6.026  -16.453 1.00 25.40 ? 96  HOH A O   1 
HETATM 757 O O   . HOH C 3 .  ? -27.678 -0.486  2.948   1.00 21.98 ? 97  HOH A O   1 
HETATM 758 O O   . HOH C 3 .  ? 4.807   2.936   -18.891 1.00 26.80 ? 98  HOH A O   1 
HETATM 759 O O   . HOH C 3 .  ? -23.368 2.997   -8.883  1.00 25.62 ? 99  HOH A O   1 
HETATM 760 O O   . HOH C 3 .  ? 3.650   -1.268  -19.887 1.00 68.08 ? 100 HOH A O   1 
HETATM 761 O O   . HOH C 3 .  ? -24.336 -1.412  -10.843 1.00 24.72 ? 101 HOH A O   1 
HETATM 762 O O   . HOH C 3 .  ? -21.478 -6.818  -0.644  1.00 43.75 ? 102 HOH A O   1 
HETATM 763 O O   . HOH C 3 .  ? -20.550 6.490   -19.454 1.00 24.77 ? 103 HOH A O   1 
HETATM 764 O O   . HOH C 3 .  ? -16.331 -6.854  -4.850  1.00 58.67 ? 104 HOH A O   1 
HETATM 765 O O   . HOH C 3 .  ? -0.463  0.631   -23.289 1.00 36.18 ? 105 HOH A O   1 
HETATM 766 O O   . HOH C 3 .  ? -24.441 -3.085  -17.820 1.00 49.81 ? 106 HOH A O   1 
HETATM 767 O O   . HOH C 3 .  ? -19.280 4.877   -1.796  1.00 58.39 ? 107 HOH A O   1 
HETATM 768 O O   . HOH C 3 .  ? -37.285 2.089   -13.644 1.00 45.92 ? 108 HOH A O   1 
HETATM 769 O O   . HOH C 3 .  ? 1.125   -4.283  -18.162 1.00 47.22 ? 109 HOH A O   1 
HETATM 770 O O   . HOH C 3 .  ? -6.553  -4.164  -23.716 1.00 26.77 ? 110 HOH A O   1 
HETATM 771 O O   . HOH C 3 .  ? -8.732  -2.659  -24.558 1.00 30.18 ? 111 HOH A O   1 
HETATM 772 O O   . HOH C 3 .  ? -21.581 -4.035  -18.721 1.00 41.36 ? 112 HOH A O   1 
HETATM 773 O O   . HOH C 3 .  ? -5.362  -6.411  -25.097 1.00 38.96 ? 113 HOH A O   1 
HETATM 774 O O   . HOH C 3 .  ? -24.554 -0.618  -13.607 1.00 34.25 ? 114 HOH A O   1 
HETATM 775 O O   . HOH C 3 .  ? -25.119 1.024   -9.488  1.00 37.10 ? 115 HOH A O   1 
HETATM 776 O O   . HOH C 3 .  ? -11.425 -6.479  -18.944 1.00 43.64 ? 116 HOH A O   1 
HETATM 777 O O   . HOH C 3 .  ? -19.488 6.961   -4.275  1.00 45.03 ? 117 HOH A O   1 
HETATM 778 O O   . HOH C 3 .  ? 5.319   9.626   -15.785 1.00 63.12 ? 118 HOH A O   1 
HETATM 779 O O   . HOH C 3 .  ? -23.712 4.356   -12.437 1.00 53.63 ? 119 HOH A O   1 
HETATM 780 O O   . HOH C 3 .  ? -27.621 0.157   -9.097  1.00 49.27 ? 120 HOH A O   1 
HETATM 781 O O   . HOH C 3 .  ? -9.721  5.790   -25.997 1.00 54.86 ? 121 HOH A O   1 
HETATM 782 O O   . HOH C 3 .  ? -25.121 -8.005  -3.542  1.00 69.61 ? 122 HOH A O   1 
HETATM 783 O O   . HOH C 3 .  ? -24.831 2.156   -13.100 1.00 41.60 ? 123 HOH A O   1 
HETATM 784 O O   . HOH C 3 .  ? -10.581 -5.614  -21.978 1.00 54.60 ? 124 HOH A O   1 
HETATM 785 O O   . HOH C 3 .  ? -6.146  8.537   -26.189 1.00 50.10 ? 125 HOH A O   1 
HETATM 786 O O   . HOH C 3 .  ? -26.142 9.108   -15.105 1.00 49.93 ? 126 HOH A O   1 
HETATM 787 O O   . HOH C 3 .  ? 2.484   1.711   -20.333 0.50 40.19 ? 127 HOH A O   1 
HETATM 788 O O   . HOH C 3 .  ? -18.534 -3.433  -18.314 1.00 52.70 ? 128 HOH A O   1 
HETATM 789 O O   . HOH D 3 .  ? -14.146 4.919   -3.549  1.00 45.45 ? 49  HOH B O   1 
HETATM 790 O O   . HOH D 3 .  ? -8.066  -4.767  -13.380 1.00 15.30 ? 50  HOH B O   1 
HETATM 791 O O   . HOH D 3 .  ? -18.503 9.029   -11.106 1.00 21.18 ? 51  HOH B O   1 
HETATM 792 O O   . HOH D 3 .  ? -7.501  13.152  -8.292  1.00 39.81 ? 52  HOH B O   1 
HETATM 793 O O   . HOH D 3 .  ? -7.595  -10.231 -11.516 1.00 24.80 ? 53  HOH B O   1 
HETATM 794 O O   . HOH D 3 .  ? -16.203 12.345  -12.327 1.00 26.45 ? 54  HOH B O   1 
HETATM 795 O O   . HOH D 3 .  ? -3.916  10.146  -8.124  1.00 39.01 ? 55  HOH B O   1 
HETATM 796 O O   . HOH D 3 .  ? -8.357  13.433  -16.605 1.00 29.09 ? 56  HOH B O   1 
HETATM 797 O O   . HOH D 3 .  ? -6.029  20.356  -12.092 1.00 34.64 ? 57  HOH B O   1 
HETATM 798 O O   . HOH D 3 .  ? -14.256 9.932   -5.803  1.00 54.11 ? 58  HOH B O   1 
HETATM 799 O O   . HOH D 3 .  ? -18.255 -16.226 -10.508 1.00 53.11 ? 59  HOH B O   1 
HETATM 800 O O   . HOH D 3 .  ? -8.737  -6.826  -1.824  1.00 35.53 ? 60  HOH B O   1 
HETATM 801 O O   . HOH D 3 .  ? -0.914  -7.701  -12.163 1.00 32.86 ? 61  HOH B O   1 
HETATM 802 O O   . HOH D 3 .  ? -10.021 14.647  -8.564  1.00 33.55 ? 62  HOH B O   1 
HETATM 803 O O   . HOH D 3 .  ? -11.991 -5.801  -6.483  1.00 64.07 ? 63  HOH B O   1 
HETATM 804 O O   . HOH D 3 .  ? -18.019 11.033  -13.665 1.00 50.57 ? 64  HOH B O   1 
HETATM 805 O O   . HOH D 3 .  ? -6.643  18.512  -15.921 1.00 38.92 ? 65  HOH B O   1 
HETATM 806 O O   . HOH D 3 .  ? -0.378  3.784   -5.680  1.00 56.67 ? 66  HOH B O   1 
HETATM 807 O O   . HOH D 3 .  ? -9.663  17.290  -10.269 1.00 40.96 ? 67  HOH B O   1 
HETATM 808 O O   . HOH D 3 .  ? -1.811  0.331   -5.769  1.00 39.60 ? 68  HOH B O   1 
HETATM 809 O O   . HOH D 3 .  ? -1.764  -8.145  -16.603 1.00 34.64 ? 69  HOH B O   1 
HETATM 810 O O   . HOH D 3 .  ? -0.834  -4.874  -9.265  1.00 35.33 ? 70  HOH B O   1 
HETATM 811 O O   . HOH D 3 .  ? -11.867 8.514   -4.591  1.00 40.33 ? 71  HOH B O   1 
HETATM 812 O O   . HOH D 3 .  ? -5.406  20.335  -14.654 1.00 41.70 ? 72  HOH B O   1 
HETATM 813 O O   . HOH D 3 .  ? -9.285  -5.428  0.455   1.00 64.40 ? 73  HOH B O   1 
HETATM 814 O O   . HOH D 3 .  ? -15.160 18.664  -17.487 1.00 45.72 ? 74  HOH B O   1 
HETATM 815 O O   . HOH D 3 .  ? -9.312  -7.644  -4.136  1.00 52.63 ? 75  HOH B O   1 
HETATM 816 O O   . HOH D 3 .  ? -21.468 -6.981  -19.278 1.00 52.40 ? 76  HOH B O   1 
HETATM 817 O O   . HOH D 3 .  ? 0.223   -2.174  -6.412  1.00 46.82 ? 77  HOH B O   1 
HETATM 818 O O   . HOH D 3 .  ? -5.043  16.500  -9.035  1.00 46.67 ? 78  HOH B O   1 
HETATM 819 O O   . HOH D 3 .  ? -5.187  -11.846 -6.848  1.00 57.50 ? 79  HOH B O   1 
HETATM 820 O O   . HOH D 3 .  ? -6.264  0.186   -0.594  1.00 48.17 ? 80  HOH B O   1 
HETATM 821 O O   . HOH D 3 .  ? -13.663 -14.455 -7.808  1.00 53.81 ? 81  HOH B O   1 
HETATM 822 O O   . HOH D 3 .  ? -2.737  0.818   -3.211  1.00 49.15 ? 82  HOH B O   1 
HETATM 823 O O   . HOH D 3 .  ? -3.618  -1.478  -1.285  1.00 47.18 ? 83  HOH B O   1 
HETATM 824 O O   . HOH D 3 .  ? -2.969  -4.005  -2.172  1.00 50.92 ? 84  HOH B O   1 
HETATM 825 O O   . HOH D 3 .  ? -15.507 9.572   -2.718  1.00 73.14 ? 85  HOH B O   1 
HETATM 826 O O   . HOH D 3 .  ? -18.377 13.305  -9.210  1.00 50.43 ? 86  HOH B O   1 
HETATM 827 O O   . HOH D 3 .  ? -2.726  20.793  -15.092 1.00 54.30 ? 87  HOH B O   1 
HETATM 828 O O   . HOH D 3 .  ? -24.302 -13.240 -12.763 1.00 60.71 ? 88  HOH B O   1 
HETATM 829 O O   . HOH D 3 .  ? -7.663  16.481  -14.123 1.00 30.96 ? 89  HOH B O   1 
HETATM 830 O O   . HOH D 3 .  ? -12.012 17.591  -21.191 1.00 54.48 ? 90  HOH B O   1 
HETATM 831 O O   . HOH D 3 .  ? -21.741 -12.010 -12.224 1.00 39.10 ? 91  HOH B O   1 
HETATM 832 O O   . HOH D 3 .  ? -0.311  -7.830  -14.599 1.00 50.91 ? 92  HOH B O   1 
HETATM 833 O O   . HOH D 3 .  ? -7.205  17.333  -11.695 1.00 44.37 ? 93  HOH B O   1 
HETATM 834 O O   . HOH D 3 .  ? 2.567   -4.697  -7.632  1.00 51.13 ? 94  HOH B O   1 
HETATM 835 O O   . HOH D 3 .  ? -17.828 10.780  -6.132  1.00 49.53 ? 95  HOH B O   1 
HETATM 836 O O   . HOH D 3 .  ? -1.690  13.440  -17.733 1.00 49.95 ? 96  HOH B 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  DGL 1  52 52 DGL DGL A . n 
A 1 2  DIL 2  53 53 DIL DIL A . n 
A 1 3  DLY 3  54 54 DLY DLY A . n 
A 1 4  GLY 4  55 55 GLY GLY A . n 
A 1 5  DTY 5  56 56 DTY DTY A . n 
A 1 6  DGL 6  57 57 DGL DGL A . n 
A 1 7  DTY 7  58 58 DTY DTY A . n 
A 1 8  DGN 8  59 59 DGN DGN A . n 
A 1 9  DLE 9  60 60 DLE DLE A . n 
A 1 10 DTY 10 61 61 DTY DTY A . n 
A 1 11 DVA 11 62 62 DVA DVA A . n 
A 1 12 DTY 12 63 63 DTY DTY A . n 
A 1 13 DAL 13 64 64 DAL DAL A . n 
A 1 14 DSN 14 65 65 DSN DSN A . n 
A 1 15 DAS 15 66 66 DAS DAS A . n 
A 1 16 DLY 16 67 67 DLY DLY A . n 
A 1 17 DLE 17 68 68 DLE DLE A . n 
A 1 18 DPN 18 69 69 DPN DPN A . n 
A 1 19 DAR 19 70 70 DAR DAR A . n 
A 1 20 DAL 20 71 71 DAL DAL A . n 
A 1 21 DAS 21 72 72 DAS DAS A . n 
A 1 22 DIL 22 73 73 DIL DIL A . n 
A 1 23 DSN 23 74 74 DSN DSN A . n 
A 1 24 DGL 24 75 75 DGL DGL A . n 
A 1 25 DAS 25 76 76 DAS DAS A . n 
A 1 26 DTY 26 77 77 DTY DTY A . n 
A 1 27 DLY 27 78 78 DLY DLY A . n 
A 1 28 DTH 28 79 79 DTH DTH A . n 
A 1 29 DAR 29 80 80 DAR DAR A . n 
A 1 30 GLY 30 81 81 GLY GLY A . n 
A 1 31 DAR 31 82 82 DAR DAR A . n 
A 1 32 DLY 32 83 83 DLY DLY A . n 
A 1 33 DLE 33 84 84 DLE DLE A . n 
A 1 34 DLE 34 85 85 DLE DLE A . n 
A 1 35 DAR 35 86 86 DAR DAR A . n 
A 1 36 DPN 36 87 87 DPN DPN A . n 
A 1 37 DSG 37 88 88 DSG DSG A . n 
A 1 38 GLY 38 89 89 GLY GLY A . n 
A 1 39 DPR 39 90 90 DPR DPR A . n 
A 1 40 DVA 40 91 91 DVA DVA A . n 
A 1 41 DPR 41 92 92 DPR DPR A . n 
A 1 42 DPR 42 93 93 DPR DPR A . n 
A 1 43 DPR 43 94 94 DPR DPR A . n 
B 2 1  GLY 1  1  1  GLY GLY B . n 
B 2 2  DGL 2  2  2  DGL DGL B . n 
B 2 3  DTR 3  3  3  DTR DTR B . n 
B 2 4  DGL 4  4  4  DGL DGL B . n 
B 2 5  DIL 5  5  5  DIL DIL B . n 
B 2 6  DIL 6  6  6  DIL DIL B . n 
B 2 7  DAS 7  7  7  DAS DAS B . n 
B 2 8  DIL 8  8  8  DIL DIL B . n 
B 2 9  GLY 9  9  9  GLY GLY B . n 
B 2 10 DPR 10 10 10 DPR DPR B . n 
B 2 11 DPN 11 11 11 DPN DPN B . n 
B 2 12 DTH 12 12 12 DTH DTH B . n 
B 2 13 DGN 13 13 13 DGN DGN B . n 
B 2 14 DSG 14 14 14 DSG DSG B . n 
B 2 15 DLE 15 15 15 DLE DLE B . n 
B 2 16 GLY 16 16 16 GLY GLY B . n 
B 2 17 DLY 17 17 17 DLY DLY B . n 
B 2 18 DPN 18 18 18 DPN DPN B . n 
B 2 19 DAL 19 19 19 DAL DAL B . n 
B 2 20 DVA 20 20 20 DVA DVA B . n 
B 2 21 DAS 21 21 21 DAS DAS B . n 
B 2 22 DGL 22 22 22 DGL DGL B . n 
B 2 23 DGL 23 23 23 DGL DGL B . n 
B 2 24 DSG 24 24 24 DSG DSG B . n 
B 2 25 DLY 25 25 25 DLY DLY B . n 
B 2 26 DIL 26 26 26 DIL DIL B . n 
B 2 27 GLY 27 27 27 GLY GLY B . n 
B 2 28 DGN 28 28 28 DGN DGN B . n 
B 2 29 DTY 29 29 29 DTY DTY B . n 
B 2 30 GLY 30 30 30 GLY GLY B . n 
B 2 31 DAR 31 31 31 DAR DAR B . n 
B 2 32 DLE 32 32 32 DLE DLE B . n 
B 2 33 DTH 33 33 33 DTH DTH B . n 
B 2 34 DPN 34 34 34 DPN DPN B . n 
B 2 35 DSG 35 35 35 DSG DSG B . n 
B 2 36 DLY 36 36 36 DLY DLY B . n 
B 2 37 DVA 37 37 37 DVA DVA B . n 
B 2 38 DIL 38 38 38 DIL DIL B . n 
B 2 39 DAR 39 39 39 DAR DAR B . n 
B 2 40 DPR 40 40 40 DPR DPR B . n 
B 2 41 DCY 41 41 41 DCY DCY B . n 
B 2 42 MED 42 42 42 MED MED B . n 
B 2 43 DLY 43 43 43 DLY DLY B . n 
B 2 44 DLY 44 44 44 DLY DLY B . n 
B 2 45 DTH 45 45 45 DTH DTH B . n 
B 2 46 DIL 46 46 46 DIL DIL B . n 
B 2 47 DTY 47 47 47 DTY DTY B . n 
B 2 48 DGL 48 48 48 DGL DGL B . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 3 HOH 1  95  104 HOH HOH A . 
C 3 HOH 2  96  106 HOH HOH A . 
C 3 HOH 3  97  109 HOH HOH A . 
C 3 HOH 4  98  112 HOH HOH A . 
C 3 HOH 5  99  113 HOH HOH A . 
C 3 HOH 6  100 116 HOH HOH A . 
C 3 HOH 7  101 117 HOH HOH A . 
C 3 HOH 8  102 118 HOH HOH A . 
C 3 HOH 9  103 119 HOH HOH A . 
C 3 HOH 10 104 120 HOH HOH A . 
C 3 HOH 11 105 123 HOH HOH A . 
C 3 HOH 12 106 126 HOH HOH A . 
C 3 HOH 13 107 128 HOH HOH A . 
C 3 HOH 14 108 130 HOH HOH A . 
C 3 HOH 15 109 135 HOH HOH A . 
C 3 HOH 16 110 136 HOH HOH A . 
C 3 HOH 17 111 138 HOH HOH A . 
C 3 HOH 18 112 140 HOH HOH A . 
C 3 HOH 19 113 141 HOH HOH A . 
C 3 HOH 20 114 142 HOH HOH A . 
C 3 HOH 21 115 143 HOH HOH A . 
C 3 HOH 22 116 144 HOH HOH A . 
C 3 HOH 23 117 148 HOH HOH A . 
C 3 HOH 24 118 149 HOH HOH A . 
C 3 HOH 25 119 150 HOH HOH A . 
C 3 HOH 26 120 158 HOH HOH A . 
C 3 HOH 27 121 161 HOH HOH A . 
C 3 HOH 28 122 171 HOH HOH A . 
C 3 HOH 29 123 176 HOH HOH A . 
C 3 HOH 30 124 178 HOH HOH A . 
C 3 HOH 31 125 203 HOH HOH A . 
C 3 HOH 32 126 212 HOH HOH A . 
C 3 HOH 33 127 214 HOH HOH A . 
C 3 HOH 34 128 215 HOH HOH A . 
D 3 HOH 1  49  181 HOH HOH B . 
D 3 HOH 2  50  101 HOH HOH B . 
D 3 HOH 3  51  102 HOH HOH B . 
D 3 HOH 4  52  103 HOH HOH B . 
D 3 HOH 5  53  105 HOH HOH B . 
D 3 HOH 6  54  107 HOH HOH B . 
D 3 HOH 7  55  108 HOH HOH B . 
D 3 HOH 8  56  110 HOH HOH B . 
D 3 HOH 9  57  114 HOH HOH B . 
D 3 HOH 10 58  115 HOH HOH B . 
D 3 HOH 11 59  121 HOH HOH B . 
D 3 HOH 12 60  122 HOH HOH B . 
D 3 HOH 13 61  124 HOH HOH B . 
D 3 HOH 14 62  125 HOH HOH B . 
D 3 HOH 15 63  127 HOH HOH B . 
D 3 HOH 16 64  129 HOH HOH B . 
D 3 HOH 17 65  132 HOH HOH B . 
D 3 HOH 18 66  134 HOH HOH B . 
D 3 HOH 19 67  137 HOH HOH B . 
D 3 HOH 20 68  139 HOH HOH B . 
D 3 HOH 21 69  145 HOH HOH B . 
D 3 HOH 22 70  146 HOH HOH B . 
D 3 HOH 23 71  151 HOH HOH B . 
D 3 HOH 24 72  152 HOH HOH B . 
D 3 HOH 25 73  153 HOH HOH B . 
D 3 HOH 26 74  154 HOH HOH B . 
D 3 HOH 27 75  156 HOH HOH B . 
D 3 HOH 28 76  157 HOH HOH B . 
D 3 HOH 29 77  159 HOH HOH B . 
D 3 HOH 30 78  160 HOH HOH B . 
D 3 HOH 31 79  165 HOH HOH B . 
D 3 HOH 32 80  166 HOH HOH B . 
D 3 HOH 33 81  167 HOH HOH B . 
D 3 HOH 34 82  168 HOH HOH B . 
D 3 HOH 35 83  169 HOH HOH B . 
D 3 HOH 36 84  172 HOH HOH B . 
D 3 HOH 37 85  173 HOH HOH B . 
D 3 HOH 38 86  174 HOH HOH B . 
D 3 HOH 39 87  175 HOH HOH B . 
D 3 HOH 40 88  177 HOH HOH B . 
D 3 HOH 41 89  179 HOH HOH B . 
D 3 HOH 42 90  182 HOH HOH B . 
D 3 HOH 43 91  201 HOH HOH B . 
D 3 HOH 44 92  204 HOH HOH B . 
D 3 HOH 45 93  205 HOH HOH B . 
D 3 HOH 46 94  206 HOH HOH B . 
D 3 HOH 47 95  207 HOH HOH B . 
D 3 HOH 48 96  209 HOH HOH B . 
# 
loop_
_pdbx_struct_mod_residue.id 
_pdbx_struct_mod_residue.label_asym_id 
_pdbx_struct_mod_residue.label_comp_id 
_pdbx_struct_mod_residue.label_seq_id 
_pdbx_struct_mod_residue.auth_asym_id 
_pdbx_struct_mod_residue.auth_comp_id 
_pdbx_struct_mod_residue.auth_seq_id 
_pdbx_struct_mod_residue.PDB_ins_code 
_pdbx_struct_mod_residue.parent_comp_id 
_pdbx_struct_mod_residue.details 
1  A DGL 1  A DGL 52 ? GLU 'D-GLUTAMIC ACID' 
2  A DIL 2  A DIL 53 ? ILE D-ISOLEUCINE      
3  A DLY 3  A DLY 54 ? LYS D-LYSINE          
4  A DTY 5  A DTY 56 ? TYR D-TYROSINE        
5  A DGL 6  A DGL 57 ? GLU 'D-GLUTAMIC ACID' 
6  A DTY 7  A DTY 58 ? TYR D-TYROSINE        
7  A DGN 8  A DGN 59 ? GLN D-GLUTAMINE       
8  A DLE 9  A DLE 60 ? LEU D-LEUCINE         
9  A DTY 10 A DTY 61 ? TYR D-TYROSINE        
10 A DVA 11 A DVA 62 ? VAL D-VALINE          
11 A DTY 12 A DTY 63 ? TYR D-TYROSINE        
12 A DAL 13 A DAL 64 ? ALA D-ALANINE         
13 A DSN 14 A DSN 65 ? SER D-SERINE          
14 A DAS 15 A DAS 66 ? ASP 'D-ASPARTIC ACID' 
15 A DLY 16 A DLY 67 ? LYS D-LYSINE          
16 A DLE 17 A DLE 68 ? LEU D-LEUCINE         
17 A DAR 19 A DAR 70 ? ARG D-ARGININE        
18 A DAL 20 A DAL 71 ? ALA D-ALANINE         
19 A DAS 21 A DAS 72 ? ASP 'D-ASPARTIC ACID' 
20 A DIL 22 A DIL 73 ? ILE D-ISOLEUCINE      
21 A DSN 23 A DSN 74 ? SER D-SERINE          
22 A DGL 24 A DGL 75 ? GLU 'D-GLUTAMIC ACID' 
23 A DAS 25 A DAS 76 ? ASP 'D-ASPARTIC ACID' 
24 A DTY 26 A DTY 77 ? TYR D-TYROSINE        
25 A DLY 27 A DLY 78 ? LYS D-LYSINE          
26 A DTH 28 A DTH 79 ? THR D-THREONINE       
27 A DAR 29 A DAR 80 ? ARG D-ARGININE        
28 A DAR 31 A DAR 82 ? ARG D-ARGININE        
29 A DLY 32 A DLY 83 ? LYS D-LYSINE          
30 A DLE 33 A DLE 84 ? LEU D-LEUCINE         
31 A DLE 34 A DLE 85 ? LEU D-LEUCINE         
32 A DAR 35 A DAR 86 ? ARG D-ARGININE        
33 A DSG 37 A DSG 88 ? ASN D-ASPARAGINE      
34 A DPR 39 A DPR 90 ? PRO D-PROLINE         
35 A DVA 40 A DVA 91 ? VAL D-VALINE          
36 A DPR 41 A DPR 92 ? PRO D-PROLINE         
37 A DPR 42 A DPR 93 ? PRO D-PROLINE         
38 A DPR 43 A DPR 94 ? PRO D-PROLINE         
39 B DGL 2  B DGL 2  ? GLU 'D-GLUTAMIC ACID' 
40 B DTR 3  B DTR 3  ? TRP D-TRYPTOPHAN      
41 B DGL 4  B DGL 4  ? GLU 'D-GLUTAMIC ACID' 
42 B DIL 5  B DIL 5  ? ILE D-ISOLEUCINE      
43 B DIL 6  B DIL 6  ? ILE D-ISOLEUCINE      
44 B DAS 7  B DAS 7  ? ASP 'D-ASPARTIC ACID' 
45 B DIL 8  B DIL 8  ? ILE D-ISOLEUCINE      
46 B DPR 10 B DPR 10 ? PRO D-PROLINE         
47 B DTH 12 B DTH 12 ? THR D-THREONINE       
48 B DGN 13 B DGN 13 ? GLN D-GLUTAMINE       
49 B DSG 14 B DSG 14 ? ASN D-ASPARAGINE      
50 B DLE 15 B DLE 15 ? LEU D-LEUCINE         
51 B DLY 17 B DLY 17 ? LYS D-LYSINE          
52 B DAL 19 B DAL 19 ? ALA D-ALANINE         
53 B DVA 20 B DVA 20 ? VAL D-VALINE          
54 B DAS 21 B DAS 21 ? ASP 'D-ASPARTIC ACID' 
55 B DGL 22 B DGL 22 ? GLU 'D-GLUTAMIC ACID' 
56 B DGL 23 B DGL 23 ? GLU 'D-GLUTAMIC ACID' 
57 B DSG 24 B DSG 24 ? ASN D-ASPARAGINE      
58 B DLY 25 B DLY 25 ? LYS D-LYSINE          
59 B DIL 26 B DIL 26 ? ILE D-ISOLEUCINE      
60 B DGN 28 B DGN 28 ? GLN D-GLUTAMINE       
61 B DTY 29 B DTY 29 ? TYR D-TYROSINE        
62 B DAR 31 B DAR 31 ? ARG D-ARGININE        
63 B DLE 32 B DLE 32 ? LEU D-LEUCINE         
64 B DTH 33 B DTH 33 ? THR D-THREONINE       
65 B DSG 35 B DSG 35 ? ASN D-ASPARAGINE      
66 B DLY 36 B DLY 36 ? LYS D-LYSINE          
67 B DVA 37 B DVA 37 ? VAL D-VALINE          
68 B DIL 38 B DIL 38 ? ILE D-ISOLEUCINE      
69 B DAR 39 B DAR 39 ? ARG D-ARGININE        
70 B DPR 40 B DPR 40 ? PRO D-PROLINE         
71 B DCY 41 B DCY 41 ? CYS D-CYSTEINE        
72 B MED 42 B MED 42 ? MET D-METHIONINE      
73 B DLY 43 B DLY 43 ? LYS D-LYSINE          
74 B DLY 44 B DLY 44 ? LYS D-LYSINE          
75 B DTH 45 B DTH 45 ? THR D-THREONINE       
76 B DIL 46 B DIL 46 ? ILE D-ISOLEUCINE      
77 B DTY 47 B DTY 47 ? TYR D-TYROSINE        
78 B DGL 48 B DGL 48 ? GLU 'D-GLUTAMIC ACID' 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_prop.biol_id   1 
_pdbx_struct_assembly_prop.type      'ABSA (A^2)' 
_pdbx_struct_assembly_prop.value     2620 
_pdbx_struct_assembly_prop.details   ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     127 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   C 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2007-11-13 
2 'Structure model' 1 1 2011-07-13 
3 'Structure model' 1 2 2017-10-18 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Version format compliance' 
2 3 'Structure model' 'Refinement description'    
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    3 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            software 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 3 'Structure model' '_software.classification' 
2 3 'Structure model' '_software.name'           
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
AMoRE     phasing           .   ? 1 
X-PLOR    refinement        3.1 ? 2 
MAR345    'data collection' .   ? 3 
SCALEPACK 'data scaling'    .   ? 4 
# 
_pdbx_database_remark.id     999 
_pdbx_database_remark.text   
;SEQUENCE
THE L-AMINO VERSION OF THE PROTEINS IN CHAINS A AND B 
CORRESPOND TO THE SEQUENCES IN UNP ENTRIES MONA_DIOCU
AND MONB_DIOCU RESPECTIVELY
;
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    DSG 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     35 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             104.78 
_pdbx_validate_torsion.psi             65.77 
# 
_pdbx_entity_nonpoly.entity_id   3 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
