data_1A7G
# 
_entry.id   1A7G 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.279 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   1A7G         
WWPDB D_1000170487 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.entry_id                        1A7G 
_pdbx_database_status.recvd_initial_deposition_date   1998-03-13 
_pdbx_database_status.deposit_site                    ? 
_pdbx_database_status.process_site                    ? 
_pdbx_database_status.SG_entry                        . 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_sf                  ? 
_pdbx_database_status.status_code_cs                  ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Bussiere, D.E.' 1 
'Giranda, V.L.'  2 
# 
_citation.id                        primary 
_citation.title                     'Structure of the E2 DNA-binding domain from human papillomavirus serotype 31 at 2.4 A.' 
_citation.journal_abbrev            'Acta Crystallogr.,Sect.D' 
_citation.journal_volume            54 
_citation.page_first                1367 
_citation.page_last                 1376 
_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   10089498 
_citation.pdbx_database_id_DOI      10.1107/S0907444998005587 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Bussiere, D.E.' 1 
primary 'Kong, X.'       2 
primary 'Egan, D.A.'     3 
primary 'Walter, K.'     4 
primary 'Holzman, T.F.'  5 
primary 'Lindh, F.'      6 
primary 'Robins, T.'     7 
primary 'Giranda, V.L.'  8 
# 
_cell.entry_id           1A7G 
_cell.length_a           45.890 
_cell.length_b           45.890 
_cell.length_c           195.636 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        120.00 
_cell.Z_PDB              12 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         1A7G 
_symmetry.space_group_name_H-M             'P 61 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                178 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'REGULATORY PROTEIN E2' 9362.728 1  ? ? 'DNA-BINDING DOMAIN' ? 
2 non-polymer syn 'SULFATE ION'           96.063   2  ? ? ?                    ? 
3 water       nat water                   18.015   74 ? ? ?                    ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'E2 DBD' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;ATTPIIHLKGDANILKCLRYRLSKYKQLYEQVSSTWHWTCTDGKHKNAIVTLTYISTSQRDDFLNTVVIPNTVSVSTGYM
TI
;
_entity_poly.pdbx_seq_one_letter_code_can   
;ATTPIIHLKGDANILKCLRYRLSKYKQLYEQVSSTWHWTCTDGKHKNAIVTLTYISTSQRDDFLNTVVIPNTVSVSTGYM
TI
;
_entity_poly.pdbx_strand_id                 E 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  ALA n 
1 2  THR n 
1 3  THR n 
1 4  PRO n 
1 5  ILE n 
1 6  ILE n 
1 7  HIS n 
1 8  LEU n 
1 9  LYS n 
1 10 GLY n 
1 11 ASP n 
1 12 ALA n 
1 13 ASN n 
1 14 ILE n 
1 15 LEU n 
1 16 LYS n 
1 17 CYS n 
1 18 LEU n 
1 19 ARG n 
1 20 TYR n 
1 21 ARG n 
1 22 LEU n 
1 23 SER n 
1 24 LYS n 
1 25 TYR n 
1 26 LYS n 
1 27 GLN n 
1 28 LEU n 
1 29 TYR n 
1 30 GLU n 
1 31 GLN n 
1 32 VAL n 
1 33 SER n 
1 34 SER n 
1 35 THR n 
1 36 TRP n 
1 37 HIS n 
1 38 TRP n 
1 39 THR n 
1 40 CYS n 
1 41 THR n 
1 42 ASP n 
1 43 GLY n 
1 44 LYS n 
1 45 HIS n 
1 46 LYS n 
1 47 ASN n 
1 48 ALA n 
1 49 ILE n 
1 50 VAL n 
1 51 THR n 
1 52 LEU n 
1 53 THR n 
1 54 TYR n 
1 55 ILE n 
1 56 SER n 
1 57 THR n 
1 58 SER n 
1 59 GLN n 
1 60 ARG n 
1 61 ASP n 
1 62 ASP n 
1 63 PHE n 
1 64 LEU n 
1 65 ASN n 
1 66 THR n 
1 67 VAL n 
1 68 VAL n 
1 69 ILE n 
1 70 PRO n 
1 71 ASN n 
1 72 THR n 
1 73 VAL n 
1 74 SER n 
1 75 VAL n 
1 76 SER n 
1 77 THR n 
1 78 GLY n 
1 79 TYR n 
1 80 MET n 
1 81 THR n 
1 82 ILE n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      ? 
_entity_src_gen.pdbx_beg_seq_num                   ? 
_entity_src_gen.pdbx_end_seq_num                   ? 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     Alphapapillomavirus 
_entity_src_gen.pdbx_gene_src_gene                 E2 
_entity_src_gen.gene_src_species                   'Human papillomavirus - 16' 
_entity_src_gen.gene_src_strain                    SEROTYPE-31 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Human papillomavirus type 31' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10585 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            BL21 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     Escherichia 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               'BL21 (DE3) PLYSS' 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       BL21 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    VE2_HPV31 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_db_accession          P17383 
_struct_ref.pdbx_align_begin           1 
_struct_ref.pdbx_seq_one_letter_code   
;METLSQRLNVCQDKILEHYENDSKRLCDHIDYWKHIRLECVLMYKAREMGIHSINHQVVPALSVSKAKALQAIELQMMLE
TLNNTEYKNEDWTMQQTSLELYLTAPTGCLKKHGYTVEVQFDGDVHNTMHYTNWKFIYLCIDGQCTVVEGQVNCKGIYYV
HEGHITYFVNFTEEAKKYGTGKKWEVHAGGQVIVFPESVFSSDEISFAGIVTKLPTANNTTTSNSKTCALGTSEGVRRAT
TSTKRPRTEPEHRNTHHPNKLLRGDSVDSVNCGVISAAACTNQTRAVSCPATTPIIHLKGDANILKCLRYRLSKYKQLYE
QVSSTWHWTCTDGKHKNAIVTLTYISTSQRDDFLNTVKIPNTVSVSTGYMTI
;
_struct_ref.pdbx_db_isoform            ? 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              1A7G 
_struct_ref_seq.pdbx_strand_id                E 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 82 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P17383 
_struct_ref_seq.db_align_beg                  291 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  372 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       291 
_struct_ref_seq.pdbx_auth_seq_align_end       372 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             1A7G 
_struct_ref_seq_dif.mon_id                       VAL 
_struct_ref_seq_dif.pdbx_pdb_strand_id           E 
_struct_ref_seq_dif.seq_num                      68 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   P17383 
_struct_ref_seq_dif.db_mon_id                    LYS 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          358 
_struct_ref_seq_dif.details                      CONFLICT 
_struct_ref_seq_dif.pdbx_auth_seq_num            358 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'   ? 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
_exptl.entry_id          1A7G 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      3.17 
_exptl_crystal.density_percent_sol   61.26 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          ? 
_exptl_crystal_grow.temp            ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pH              6.0 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.pdbx_details    'pH 6.0' 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           90 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               'IMAGE PLATE' 
_diffrn_detector.type                   RIGAKU 
_diffrn_detector.pdbx_collection_date   1996-10 
_diffrn_detector.details                MIRROR 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.monochromator                    'NI FILTER' 
_diffrn_radiation.pdbx_diffrn_protocol             ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.5418 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      ? 
_diffrn_source.type                        ? 
_diffrn_source.pdbx_synchrotron_site       ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_wavelength             1.5418 
_diffrn_source.pdbx_wavelength_list        ? 
# 
_reflns.entry_id                     1A7G 
_reflns.observed_criterion_sigma_I   -3 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             100 
_reflns.d_resolution_high            2.4 
_reflns.number_obs                   5649 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         90 
_reflns.pdbx_Rmerge_I_obs            0.0650000 
_reflns.pdbx_Rsym_value              0.0650000 
_reflns.pdbx_netI_over_sigmaI        4.0 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              2.0 
_reflns.pdbx_ordinal                 1 
_reflns.pdbx_diffrn_id               1 
# 
_reflns_shell.d_res_high             2.4 
_reflns_shell.d_res_low              2.6 
_reflns_shell.percent_possible_all   88.4 
_reflns_shell.Rmerge_I_obs           0.1850000 
_reflns_shell.pdbx_Rsym_value        0.1850000 
_reflns_shell.meanI_over_sigI_obs    2.5 
_reflns_shell.pdbx_redundancy        1.5 
_reflns_shell.pdbx_ordinal           1 
_reflns_shell.pdbx_diffrn_id         1 
# 
_refine.entry_id                                 1A7G 
_refine.ls_number_reflns_obs                     4293 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.0 
_refine.pdbx_data_cutoff_high_absF               10000000.00 
_refine.pdbx_data_cutoff_low_absF                0.001 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             10 
_refine.ls_d_res_high                            2.4 
_refine.ls_percent_reflns_obs                    83.0 
_refine.ls_R_factor_obs                          0.2110000 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       0.2110000 
_refine.ls_R_factor_R_free                       0.2970000 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 8.3 
_refine.ls_number_reflns_R_free                  355 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.B_iso_mean                               26.4 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.solvent_model_details                    ? 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.details                                  ? 
_refine.pdbx_starting_model                      'BPV-1 STRUCTURE' 
_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.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.pdbx_solvent_vdw_probe_radii             ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        658 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         10 
_refine_hist.number_atoms_solvent             74 
_refine_hist.number_atoms_total               742 
_refine_hist.d_res_high                       2.4 
_refine_hist.d_res_low                        10 
# 
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                0.014 ?   ? ? '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             2.7   ?   ? ? 'X-RAY DIFFRACTION' ? 
x_angle_deg_na          ?     ?   ? ? 'X-RAY DIFFRACTION' ? 
x_angle_deg_prot        ?     ?   ? ? 'X-RAY DIFFRACTION' ? 
x_dihedral_angle_d      23.2  ?   ? ? 'X-RAY DIFFRACTION' ? 
x_dihedral_angle_d_na   ?     ?   ? ? 'X-RAY DIFFRACTION' ? 
x_dihedral_angle_d_prot ?     ?   ? ? 'X-RAY DIFFRACTION' ? 
x_improper_angle_d      2.2   ?   ? ? 'X-RAY DIFFRACTION' ? 
x_improper_angle_d_na   ?     ?   ? ? 'X-RAY DIFFRACTION' ? 
x_improper_angle_d_prot ?     ?   ? ? 'X-RAY DIFFRACTION' ? 
x_mcbond_it             1.5   1.5 ? ? 'X-RAY DIFFRACTION' ? 
x_mcangle_it            2.0   2.0 ? ? 'X-RAY DIFFRACTION' ? 
x_scbond_it             2.0   2.0 ? ? 'X-RAY DIFFRACTION' ? 
x_scangle_it            2.0   2.0 ? ? 'X-RAY DIFFRACTION' ? 
# 
_refine_ls_shell.pdbx_total_number_of_bins_used   9 
_refine_ls_shell.d_res_high                       2.4 
_refine_ls_shell.d_res_low                        2.5 
_refine_ls_shell.number_reflns_R_work             343 
_refine_ls_shell.R_factor_R_work                  0.3240000 
_refine_ls_shell.percent_reflns_obs               58 
_refine_ls_shell.R_factor_R_free                  0.3160000 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.percent_reflns_R_free            4.2 
_refine_ls_shell.number_reflns_R_free             26 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.R_factor_all                     ? 
# 
loop_
_pdbx_xplor_file.serial_no 
_pdbx_xplor_file.param_file 
_pdbx_xplor_file.topol_file 
_pdbx_xplor_file.pdbx_refine_id 
1 PARAM19X.PRO TOPH19X.PRO  'X-RAY DIFFRACTION' 
2 PARHCSDX.PRO TOPHCSDX.PRO 'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  1A7G 
_struct.title                     'THE CRYSTAL STRUCTURE OF THE E2 DNA-BINDING DOMAIN FROM HUMAN PAPILLOMAVIRUS AT 2.4 ANGSTROMS' 
_struct.pdbx_descriptor           'REGULATORY PROTEIN E2' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        1A7G 
_struct_keywords.pdbx_keywords   'TRANSCRIPTION REGULATION' 
_struct_keywords.text            'TRANSCRIPTION REGULATION, E2, PAPILLOMAVIRUS, CERVICAL CANCER' 
# 
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 2 ? 
D N N 3 ? 
# 
_struct_biol.id   1 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 1 ALA A 12 ? LYS A 24 ? ALA E 302 LYS E 314 1 ? 13 
HELX_P HELX_P2 2 LYS A 26 ? LEU A 28 ? LYS E 316 LEU E 318 5 ? 3  
HELX_P HELX_P3 3 THR A 57 ? THR A 66 ? THR E 347 THR E 356 1 ? 10 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_sheet.id               A 
_struct_sheet.type             ? 
_struct_sheet.number_strands   3 
_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 
# 
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 SER A 74 ? THR A 81 ? SER E 364 THR E 371 
A 2 THR A 2  ? GLY A 10 ? THR E 292 GLY E 300 
A 3 ALA A 48 ? TYR A 54 ? ALA E 338 TYR E 344 
# 
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 SER A 74 ? O SER E 364 N LYS A 9  ? N LYS E 299 
A 2 3 O PRO A 4  ? O PRO E 294 N TYR A 54 ? N TYR E 344 
# 
loop_
_struct_site.id 
_struct_site.pdbx_evidence_code 
_struct_site.pdbx_auth_asym_id 
_struct_site.pdbx_auth_comp_id 
_struct_site.pdbx_auth_seq_id 
_struct_site.pdbx_auth_ins_code 
_struct_site.pdbx_num_residues 
_struct_site.details 
AC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 E 1' 
AC2 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE SO4 E 2' 
# 
loop_
_struct_site_gen.id 
_struct_site_gen.site_id 
_struct_site_gen.pdbx_num_res 
_struct_site_gen.label_comp_id 
_struct_site_gen.label_asym_id 
_struct_site_gen.label_seq_id 
_struct_site_gen.pdbx_auth_ins_code 
_struct_site_gen.auth_comp_id 
_struct_site_gen.auth_asym_id 
_struct_site_gen.auth_seq_id 
_struct_site_gen.label_atom_id 
_struct_site_gen.label_alt_id 
_struct_site_gen.symmetry 
_struct_site_gen.details 
1  AC1 5 HOH D .  ? HOH E 49  . ? 1_555  ? 
2  AC1 5 LYS A 16 ? LYS E 306 . ? 1_555  ? 
3  AC1 5 ARG A 19 ? ARG E 309 . ? 1_555  ? 
4  AC1 5 SER A 34 ? SER E 324 . ? 1_555  ? 
5  AC1 5 THR A 35 ? THR E 325 . ? 1_555  ? 
6  AC2 8 ILE A 5  ? ILE E 295 . ? 1_555  ? 
7  AC2 8 ILE A 5  ? ILE E 295 . ? 10_665 ? 
8  AC2 8 HIS A 7  ? HIS E 297 . ? 1_555  ? 
9  AC2 8 HIS A 7  ? HIS E 297 . ? 10_665 ? 
10 AC2 8 TRP A 36 ? TRP E 326 . ? 1_555  ? 
11 AC2 8 TRP A 36 ? TRP E 326 . ? 10_665 ? 
12 AC2 8 THR A 51 ? THR E 341 . ? 10_665 ? 
13 AC2 8 THR A 51 ? THR E 341 . ? 1_555  ? 
# 
_database_PDB_matrix.entry_id          1A7G 
_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                    1A7G 
_atom_sites.fract_transf_matrix[1][1]   0.021791 
_atom_sites.fract_transf_matrix[1][2]   0.012581 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.025162 
_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]   0.005112 
_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 
ATOM   1   N N   . ALA A 1 1  ? 27.255 -0.710 81.585 1.00 41.84  ? 291 ALA E N   1 
ATOM   2   C CA  . ALA A 1 1  ? 26.660 -0.313 80.273 1.00 41.57  ? 291 ALA E CA  1 
ATOM   3   C C   . ALA A 1 1  ? 26.202 1.138  80.343 1.00 40.98  ? 291 ALA E C   1 
ATOM   4   O O   . ALA A 1 1  ? 25.665 1.566  81.353 1.00 40.22  ? 291 ALA E O   1 
ATOM   5   C CB  . ALA A 1 1  ? 25.491 -1.206 79.935 1.00 41.48  ? 291 ALA E CB  1 
ATOM   6   N N   . THR A 1 2  ? 26.446 1.899  79.280 1.00 42.29  ? 292 THR E N   1 
ATOM   7   C CA  . THR A 1 2  ? 26.064 3.308  79.243 1.00 36.50  ? 292 THR E CA  1 
ATOM   8   C C   . THR A 1 2  ? 25.257 3.707  78.011 1.00 33.01  ? 292 THR E C   1 
ATOM   9   O O   . THR A 1 2  ? 25.306 3.034  76.984 1.00 32.80  ? 292 THR E O   1 
ATOM   10  C CB  . THR A 1 2  ? 27.306 4.227  79.305 1.00 30.88  ? 292 THR E CB  1 
ATOM   11  O OG1 . THR A 1 2  ? 28.075 4.079  78.111 1.00 34.46  ? 292 THR E OG1 1 
ATOM   12  C CG2 . THR A 1 2  ? 28.172 3.888  80.489 1.00 24.06  ? 292 THR E CG2 1 
ATOM   13  N N   . THR A 1 3  ? 24.491 4.789  78.153 1.00 23.01  ? 293 THR E N   1 
ATOM   14  C CA  . THR A 1 3  ? 23.682 5.374  77.091 1.00 21.59  ? 293 THR E CA  1 
ATOM   15  C C   . THR A 1 3  ? 24.355 6.697  76.724 1.00 22.04  ? 293 THR E C   1 
ATOM   16  O O   . THR A 1 3  ? 24.660 7.488  77.632 1.00 27.48  ? 293 THR E O   1 
ATOM   17  C CB  . THR A 1 3  ? 22.267 5.701  77.610 1.00 19.58  ? 293 THR E CB  1 
ATOM   18  O OG1 . THR A 1 3  ? 21.556 4.492  77.852 1.00 23.11  ? 293 THR E OG1 1 
ATOM   19  C CG2 . THR A 1 3  ? 21.504 6.530  76.634 1.00 14.57  ? 293 THR E CG2 1 
ATOM   20  N N   . PRO A 1 4  ? 24.749 6.893  75.441 1.00 16.17  ? 294 PRO E N   1 
ATOM   21  C CA  . PRO A 1 4  ? 25.375 8.186  75.125 1.00 9.64   ? 294 PRO E CA  1 
ATOM   22  C C   . PRO A 1 4  ? 24.254 9.200  75.242 1.00 9.17   ? 294 PRO E C   1 
ATOM   23  O O   . PRO A 1 4  ? 23.131 8.877  74.854 1.00 13.53  ? 294 PRO E O   1 
ATOM   24  C CB  . PRO A 1 4  ? 25.781 8.027  73.649 1.00 11.83  ? 294 PRO E CB  1 
ATOM   25  C CG  . PRO A 1 4  ? 25.895 6.569  73.456 1.00 11.40  ? 294 PRO E CG  1 
ATOM   26  C CD  . PRO A 1 4  ? 24.745 6.005  74.262 1.00 11.63  ? 294 PRO E CD  1 
ATOM   27  N N   . ILE A 1 5  ? 24.487 10.384 75.803 1.00 13.26  ? 295 ILE E N   1 
ATOM   28  C CA  . ILE A 1 5  ? 23.418 11.396 75.885 1.00 12.37  ? 295 ILE E CA  1 
ATOM   29  C C   . ILE A 1 5  ? 23.905 12.739 75.380 1.00 14.26  ? 295 ILE E C   1 
ATOM   30  O O   . ILE A 1 5  ? 25.094 12.922 75.130 1.00 14.38  ? 295 ILE E O   1 
ATOM   31  C CB  . ILE A 1 5  ? 22.847 11.584 77.301 1.00 11.70  ? 295 ILE E CB  1 
ATOM   32  C CG1 . ILE A 1 5  ? 23.901 12.191 78.222 1.00 13.33  ? 295 ILE E CG1 1 
ATOM   33  C CG2 . ILE A 1 5  ? 22.240 10.305 77.799 1.00 8.34   ? 295 ILE E CG2 1 
ATOM   34  C CD1 . ILE A 1 5  ? 23.415 12.465 79.654 1.00 19.17  ? 295 ILE E CD1 1 
ATOM   35  N N   . ILE A 1 6  ? 22.988 13.657 75.119 1.00 22.27  ? 296 ILE E N   1 
ATOM   36  C CA  . ILE A 1 6  ? 23.388 14.985 74.661 1.00 17.48  ? 296 ILE E CA  1 
ATOM   37  C C   . ILE A 1 6  ? 22.523 16.075 75.251 1.00 17.09  ? 296 ILE E C   1 
ATOM   38  O O   . ILE A 1 6  ? 21.359 15.857 75.486 1.00 13.76  ? 296 ILE E O   1 
ATOM   39  C CB  . ILE A 1 6  ? 23.426 15.085 73.103 1.00 12.37  ? 296 ILE E CB  1 
ATOM   40  C CG1 . ILE A 1 6  ? 24.822 14.699 72.581 1.00 16.64  ? 296 ILE E CG1 1 
ATOM   41  C CG2 . ILE A 1 6  ? 23.085 16.458 72.625 1.00 11.72  ? 296 ILE E CG2 1 
ATOM   42  C CD1 . ILE A 1 6  ? 25.020 14.909 71.076 1.00 11.83  ? 296 ILE E CD1 1 
ATOM   43  N N   . HIS A 1 7  ? 23.116 17.213 75.579 1.00 19.26  ? 297 HIS E N   1 
ATOM   44  C CA  . HIS A 1 7  ? 22.355 18.360 76.086 1.00 17.98  ? 297 HIS E CA  1 
ATOM   45  C C   . HIS A 1 7  ? 22.502 19.433 75.080 1.00 14.01  ? 297 HIS E C   1 
ATOM   46  O O   . HIS A 1 7  ? 23.619 19.723 74.686 1.00 10.35  ? 297 HIS E O   1 
ATOM   47  C CB  . HIS A 1 7  ? 22.906 18.975 77.395 1.00 13.79  ? 297 HIS E CB  1 
ATOM   48  C CG  . HIS A 1 7  ? 22.502 18.234 78.628 1.00 7.51   ? 297 HIS E CG  1 
ATOM   49  N ND1 . HIS A 1 7  ? 22.955 18.565 79.879 1.00 11.29  ? 297 HIS E ND1 1 
ATOM   50  C CD2 . HIS A 1 7  ? 21.748 17.121 78.774 1.00 6.64   ? 297 HIS E CD2 1 
ATOM   51  C CE1 . HIS A 1 7  ? 22.510 17.681 80.751 1.00 4.68   ? 297 HIS E CE1 1 
ATOM   52  N NE2 . HIS A 1 7  ? 21.780 16.792 80.105 1.00 11.75  ? 297 HIS E NE2 1 
ATOM   53  N N   . LEU A 1 8  ? 21.378 19.921 74.577 1.00 18.39  ? 298 LEU E N   1 
ATOM   54  C CA  . LEU A 1 8  ? 21.346 21.054 73.663 1.00 16.53  ? 298 LEU E CA  1 
ATOM   55  C C   . LEU A 1 8  ? 20.933 22.164 74.624 1.00 17.11  ? 298 LEU E C   1 
ATOM   56  O O   . LEU A 1 8  ? 19.937 22.029 75.346 1.00 18.95  ? 298 LEU E O   1 
ATOM   57  C CB  . LEU A 1 8  ? 20.279 20.859 72.591 1.00 14.07  ? 298 LEU E CB  1 
ATOM   58  C CG  . LEU A 1 8  ? 20.536 19.601 71.762 1.00 21.24  ? 298 LEU E CG  1 
ATOM   59  C CD1 . LEU A 1 8  ? 19.455 19.428 70.697 1.00 15.31  ? 298 LEU E CD1 1 
ATOM   60  C CD2 . LEU A 1 8  ? 21.929 19.695 71.140 1.00 5.74   ? 298 LEU E CD2 1 
ATOM   61  N N   . LYS A 1 9  ? 21.709 23.238 74.680 1.00 21.09  ? 299 LYS E N   1 
ATOM   62  C CA  . LYS A 1 9  ? 21.389 24.313 75.604 1.00 23.57  ? 299 LYS E CA  1 
ATOM   63  C C   . LYS A 1 9  ? 21.239 25.608 74.841 1.00 22.89  ? 299 LYS E C   1 
ATOM   64  O O   . LYS A 1 9  ? 21.962 25.830 73.881 1.00 24.32  ? 299 LYS E O   1 
ATOM   65  C CB  . LYS A 1 9  ? 22.463 24.443 76.681 1.00 23.74  ? 299 LYS E CB  1 
ATOM   66  C CG  . LYS A 1 9  ? 22.080 25.435 77.776 1.00 38.04  ? 299 LYS E CG  1 
ATOM   67  C CD  . LYS A 1 9  ? 23.172 25.587 78.838 1.00 33.07  ? 299 LYS E CD  1 
ATOM   68  C CE  . LYS A 1 9  ? 22.764 26.572 79.923 1.00 33.26  ? 299 LYS E CE  1 
ATOM   69  N NZ  . LYS A 1 9  ? 22.078 25.963 81.091 1.00 27.15  ? 299 LYS E NZ  1 
ATOM   70  N N   . GLY A 1 10 ? 20.249 26.420 75.223 1.00 23.38  ? 300 GLY E N   1 
ATOM   71  C CA  . GLY A 1 10 ? 20.020 27.696 74.551 1.00 19.40  ? 300 GLY E CA  1 
ATOM   72  C C   . GLY A 1 10 ? 18.615 28.263 74.729 1.00 22.63  ? 300 GLY E C   1 
ATOM   73  O O   . GLY A 1 10 ? 17.894 27.924 75.676 1.00 20.88  ? 300 GLY E O   1 
ATOM   74  N N   . ASP A 1 11 ? 18.226 29.160 73.828 1.00 15.57  ? 301 ASP E N   1 
ATOM   75  C CA  . ASP A 1 11 ? 16.904 29.769 73.896 1.00 12.44  ? 301 ASP E CA  1 
ATOM   76  C C   . ASP A 1 11 ? 15.870 28.676 73.762 1.00 14.25  ? 301 ASP E C   1 
ATOM   77  O O   . ASP A 1 11 ? 16.027 27.785 72.932 1.00 31.98  ? 301 ASP E O   1 
ATOM   78  C CB  . ASP A 1 11 ? 16.748 30.781 72.765 1.00 27.95  ? 301 ASP E CB  1 
ATOM   79  C CG  . ASP A 1 11 ? 15.420 31.509 72.806 1.00 26.62  ? 301 ASP E CG  1 
ATOM   80  O OD1 . ASP A 1 11 ? 14.447 31.038 72.191 1.00 41.46  ? 301 ASP E OD1 1 
ATOM   81  O OD2 . ASP A 1 11 ? 15.356 32.572 73.436 1.00 39.70  ? 301 ASP E OD2 1 
ATOM   82  N N   . ALA A 1 12 ? 14.790 28.767 74.527 1.00 18.59  ? 302 ALA E N   1 
ATOM   83  C CA  . ALA A 1 12 ? 13.737 27.764 74.466 1.00 21.55  ? 302 ALA E CA  1 
ATOM   84  C C   . ALA A 1 12 ? 13.043 27.576 73.103 1.00 24.19  ? 302 ALA E C   1 
ATOM   85  O O   . ALA A 1 12 ? 12.767 26.435 72.700 1.00 25.16  ? 302 ALA E O   1 
ATOM   86  C CB  . ALA A 1 12 ? 12.735 27.984 75.563 1.00 16.47  ? 302 ALA E CB  1 
ATOM   87  N N   . ASN A 1 13 ? 12.718 28.671 72.409 1.00 28.04  ? 303 ASN E N   1 
ATOM   88  C CA  . ASN A 1 13 ? 12.082 28.552 71.095 1.00 21.88  ? 303 ASN E CA  1 
ATOM   89  C C   . ASN A 1 13 ? 13.028 27.953 70.102 1.00 27.57  ? 303 ASN E C   1 
ATOM   90  O O   . ASN A 1 13 ? 12.613 27.144 69.276 1.00 39.11  ? 303 ASN E O   1 
ATOM   91  C CB  . ASN A 1 13 ? 11.610 29.886 70.554 1.00 39.41  ? 303 ASN E CB  1 
ATOM   92  C CG  . ASN A 1 13 ? 10.431 30.423 71.301 1.00 51.29  ? 303 ASN E CG  1 
ATOM   93  O OD1 . ASN A 1 13 ? 10.082 29.926 72.369 1.00 48.17  ? 303 ASN E OD1 1 
ATOM   94  N ND2 . ASN A 1 13 ? 9.782  31.437 70.730 1.00 51.77  ? 303 ASN E ND2 1 
ATOM   95  N N   . ILE A 1 14 ? 14.303 28.339 70.164 1.00 24.43  ? 304 ILE E N   1 
ATOM   96  C CA  . ILE A 1 14 ? 15.272 27.763 69.234 1.00 25.08  ? 304 ILE E CA  1 
ATOM   97  C C   . ILE A 1 14 ? 15.378 26.250 69.374 1.00 24.86  ? 304 ILE E C   1 
ATOM   98  O O   . ILE A 1 14 ? 15.508 25.544 68.370 1.00 25.42  ? 304 ILE E O   1 
ATOM   99  C CB  . ILE A 1 14 ? 16.659 28.361 69.397 1.00 21.64  ? 304 ILE E CB  1 
ATOM   100 C CG1 . ILE A 1 14 ? 16.634 29.833 69.017 1.00 15.44  ? 304 ILE E CG1 1 
ATOM   101 C CG2 . ILE A 1 14 ? 17.656 27.618 68.576 1.00 12.61  ? 304 ILE E CG2 1 
ATOM   102 C CD1 . ILE A 1 14 ? 17.981 30.478 69.131 1.00 24.23  ? 304 ILE E CD1 1 
ATOM   103 N N   . LEU A 1 15 ? 15.364 25.758 70.607 1.00 23.47  ? 305 LEU E N   1 
ATOM   104 C CA  . LEU A 1 15 ? 15.416 24.322 70.859 1.00 23.34  ? 305 LEU E CA  1 
ATOM   105 C C   . LEU A 1 15 ? 14.146 23.627 70.369 1.00 18.64  ? 305 LEU E C   1 
ATOM   106 O O   . LEU A 1 15 ? 14.180 22.486 69.914 1.00 18.16  ? 305 LEU E O   1 
ATOM   107 C CB  . LEU A 1 15 ? 15.643 24.043 72.349 1.00 17.48  ? 305 LEU E CB  1 
ATOM   108 C CG  . LEU A 1 15 ? 16.936 24.625 72.930 1.00 16.49  ? 305 LEU E CG  1 
ATOM   109 C CD1 . LEU A 1 15 ? 17.093 24.152 74.349 1.00 16.38  ? 305 LEU E CD1 1 
ATOM   110 C CD2 . LEU A 1 15 ? 18.141 24.254 72.123 1.00 11.71  ? 305 LEU E CD2 1 
ATOM   111 N N   . LYS A 1 16 ? 13.012 24.272 70.582 1.00 17.16  ? 306 LYS E N   1 
ATOM   112 C CA  . LYS A 1 16 ? 11.732 23.735 70.134 1.00 22.57  ? 306 LYS E CA  1 
ATOM   113 C C   . LYS A 1 16 ? 11.692 23.578 68.646 1.00 21.51  ? 306 LYS E C   1 
ATOM   114 O O   . LYS A 1 16 ? 11.220 22.556 68.155 1.00 28.89  ? 306 LYS E O   1 
ATOM   115 C CB  . LYS A 1 16 ? 10.539 24.563 70.631 1.00 30.68  ? 306 LYS E CB  1 
ATOM   116 C CG  . LYS A 1 16 ? 10.457 24.592 72.148 1.00 33.67  ? 306 LYS E CG  1 
ATOM   117 C CD  . LYS A 1 16 ? 9.267  25.362 72.664 1.00 37.07  ? 306 LYS E CD  1 
ATOM   118 C CE  . LYS A 1 16 ? 9.264  25.392 74.197 1.00 41.13  ? 306 LYS E CE  1 
ATOM   119 N NZ  . LYS A 1 16 ? 7.982  25.855 74.775 1.00 40.52  ? 306 LYS E NZ  1 
ATOM   120 N N   . CYS A 1 17 ? 12.241 24.553 67.927 1.00 22.95  ? 307 CYS E N   1 
ATOM   121 C CA  . CYS A 1 17 ? 12.278 24.472 66.471 1.00 28.04  ? 307 CYS E CA  1 
ATOM   122 C C   . CYS A 1 17 ? 13.261 23.406 66.000 1.00 24.95  ? 307 CYS E C   1 
ATOM   123 O O   . CYS A 1 17 ? 12.988 22.665 65.048 1.00 26.86  ? 307 CYS E O   1 
ATOM   124 C CB  . CYS A 1 17 ? 12.560 25.841 65.846 1.00 33.73  ? 307 CYS E CB  1 
ATOM   125 S SG  . CYS A 1 17 ? 11.137 26.988 65.973 1.00 38.96  ? 307 CYS E SG  1 
ATOM   126 N N   . LEU A 1 18 ? 14.400 23.330 66.677 1.00 19.26  ? 308 LEU E N   1 
ATOM   127 C CA  . LEU A 1 18 ? 15.424 22.336 66.362 1.00 19.64  ? 308 LEU E CA  1 
ATOM   128 C C   . LEU A 1 18 ? 14.800 20.942 66.543 1.00 19.51  ? 308 LEU E C   1 
ATOM   129 O O   . LEU A 1 18 ? 14.933 20.072 65.684 1.00 18.33  ? 308 LEU E O   1 
ATOM   130 C CB  . LEU A 1 18 ? 16.623 22.520 67.302 1.00 25.34  ? 308 LEU E CB  1 
ATOM   131 C CG  . LEU A 1 18 ? 18.000 21.926 66.968 1.00 29.19  ? 308 LEU E CG  1 
ATOM   132 C CD1 . LEU A 1 18 ? 19.035 22.553 67.881 1.00 29.96  ? 308 LEU E CD1 1 
ATOM   133 C CD2 . LEU A 1 18 ? 18.020 20.431 67.080 1.00 36.58  ? 308 LEU E CD2 1 
ATOM   134 N N   . ARG A 1 19 ? 14.043 20.787 67.643 1.00 25.20  ? 309 ARG E N   1 
ATOM   135 C CA  . ARG A 1 19 ? 13.360 19.526 67.981 1.00 21.91  ? 309 ARG E CA  1 
ATOM   136 C C   . ARG A 1 19 ? 12.365 19.135 66.873 1.00 18.89  ? 309 ARG E C   1 
ATOM   137 O O   . ARG A 1 19 ? 12.232 17.953 66.562 1.00 28.07  ? 309 ARG E O   1 
ATOM   138 C CB  . ARG A 1 19 ? 12.647 19.637 69.335 1.00 14.65  ? 309 ARG E CB  1 
ATOM   139 C CG  . ARG A 1 19 ? 12.393 18.279 69.962 1.00 20.39  ? 309 ARG E CG  1 
ATOM   140 C CD  . ARG A 1 19 ? 11.372 18.270 71.065 1.00 18.13  ? 309 ARG E CD  1 
ATOM   141 N NE  . ARG A 1 19 ? 11.635 19.312 72.040 1.00 27.47  ? 309 ARG E NE  1 
ATOM   142 C CZ  . ARG A 1 19 ? 10.695 20.121 72.531 1.00 30.10  ? 309 ARG E CZ  1 
ATOM   143 N NH1 . ARG A 1 19 ? 9.429  19.986 72.157 1.00 28.49  ? 309 ARG E NH1 1 
ATOM   144 N NH2 . ARG A 1 19 ? 11.032 21.157 73.291 1.00 32.30  ? 309 ARG E NH2 1 
ATOM   145 N N   . TYR A 1 20 ? 11.623 20.090 66.320 1.00 19.01  ? 310 TYR E N   1 
ATOM   146 C CA  . TYR A 1 20 ? 10.739 19.791 65.194 1.00 21.66  ? 310 TYR E CA  1 
ATOM   147 C C   . TYR A 1 20 ? 11.555 19.294 64.008 1.00 18.88  ? 310 TYR E C   1 
ATOM   148 O O   . TYR A 1 20 ? 11.136 18.376 63.310 1.00 18.80  ? 310 TYR E O   1 
ATOM   149 C CB  . TYR A 1 20 ? 9.962  21.015 64.716 1.00 13.81  ? 310 TYR E CB  1 
ATOM   150 C CG  . TYR A 1 20 ? 8.851  21.470 65.603 1.00 8.28   ? 310 TYR E CG  1 
ATOM   151 C CD1 . TYR A 1 20 ? 7.832  20.604 65.958 1.00 2.29   ? 310 TYR E CD1 1 
ATOM   152 C CD2 . TYR A 1 20 ? 8.793  22.797 66.053 1.00 11.64  ? 310 TYR E CD2 1 
ATOM   153 C CE1 . TYR A 1 20 ? 6.770  21.028 66.733 1.00 4.89   ? 310 TYR E CE1 1 
ATOM   154 C CE2 . TYR A 1 20 ? 7.732  23.248 66.847 1.00 2.95   ? 310 TYR E CE2 1 
ATOM   155 C CZ  . TYR A 1 20 ? 6.727  22.346 67.168 1.00 9.28   ? 310 TYR E CZ  1 
ATOM   156 O OH  . TYR A 1 20 ? 5.625  22.785 67.869 1.00 14.39  ? 310 TYR E OH  1 
ATOM   157 N N   . ARG A 1 21 ? 12.696 19.925 63.755 1.00 16.51  ? 311 ARG E N   1 
ATOM   158 C CA  . ARG A 1 21 ? 13.577 19.525 62.647 1.00 17.74  ? 311 ARG E CA  1 
ATOM   159 C C   . ARG A 1 21 ? 14.193 18.127 62.794 1.00 20.62  ? 311 ARG E C   1 
ATOM   160 O O   . ARG A 1 21 ? 14.555 17.489 61.813 1.00 26.46  ? 311 ARG E O   1 
ATOM   161 C CB  . ARG A 1 21 ? 14.657 20.573 62.422 1.00 14.02  ? 311 ARG E CB  1 
ATOM   162 C CG  . ARG A 1 21 ? 14.083 21.890 62.027 1.00 14.05  ? 311 ARG E CG  1 
ATOM   163 C CD  . ARG A 1 21 ? 15.160 22.889 61.709 1.00 21.22  ? 311 ARG E CD  1 
ATOM   164 N NE  . ARG A 1 21 ? 14.605 23.918 60.824 1.00 29.16  ? 311 ARG E NE  1 
ATOM   165 C CZ  . ARG A 1 21 ? 14.230 25.133 61.194 1.00 28.47  ? 311 ARG E CZ  1 
ATOM   166 N NH1 . ARG A 1 21 ? 14.353 25.518 62.468 1.00 30.30  ? 311 ARG E NH1 1 
ATOM   167 N NH2 . ARG A 1 21 ? 13.708 25.945 60.280 1.00 26.58  ? 311 ARG E NH2 1 
ATOM   168 N N   . LEU A 1 22 ? 14.378 17.684 64.032 1.00 26.07  ? 312 LEU E N   1 
ATOM   169 C CA  . LEU A 1 22 ? 14.927 16.361 64.293 1.00 28.27  ? 312 LEU E CA  1 
ATOM   170 C C   . LEU A 1 22 ? 14.012 15.288 63.726 1.00 35.21  ? 312 LEU E C   1 
ATOM   171 O O   . LEU A 1 22 ? 14.448 14.152 63.580 1.00 47.00  ? 312 LEU E O   1 
ATOM   172 C CB  . LEU A 1 22 ? 15.106 16.140 65.794 1.00 36.76  ? 312 LEU E CB  1 
ATOM   173 C CG  . LEU A 1 22 ? 16.048 17.141 66.477 1.00 47.08  ? 312 LEU E CG  1 
ATOM   174 C CD1 . LEU A 1 22 ? 16.175 16.871 67.967 1.00 44.90  ? 312 LEU E CD1 1 
ATOM   175 C CD2 . LEU A 1 22 ? 17.407 17.117 65.807 1.00 46.87  ? 312 LEU E CD2 1 
ATOM   176 N N   . SER A 1 23 ? 12.739 15.618 63.460 1.00 42.76  ? 313 SER E N   1 
ATOM   177 C CA  . SER A 1 23 ? 11.761 14.632 62.936 1.00 44.00  ? 313 SER E CA  1 
ATOM   178 C C   . SER A 1 23 ? 12.224 14.018 61.634 1.00 42.48  ? 313 SER E C   1 
ATOM   179 O O   . SER A 1 23 ? 11.731 12.976 61.218 1.00 45.35  ? 313 SER E O   1 
ATOM   180 C CB  . SER A 1 23 ? 10.368 15.232 62.734 1.00 46.73  ? 313 SER E CB  1 
ATOM   181 O OG  . SER A 1 23 ? 10.284 15.966 61.529 1.00 48.46  ? 313 SER E OG  1 
ATOM   182 N N   . LYS A 1 24 ? 13.090 14.749 60.945 1.00 39.76  ? 314 LYS E N   1 
ATOM   183 C CA  . LYS A 1 24 ? 13.683 14.301 59.693 1.00 40.71  ? 314 LYS E CA  1 
ATOM   184 C C   . LYS A 1 24 ? 14.833 13.332 59.972 1.00 32.54  ? 314 LYS E C   1 
ATOM   185 O O   . LYS A 1 24 ? 15.272 12.593 59.091 1.00 40.26  ? 314 LYS E O   1 
ATOM   186 C CB  . LYS A 1 24 ? 14.206 15.509 58.903 1.00 44.39  ? 314 LYS E CB  1 
ATOM   187 C CG  . LYS A 1 24 ? 15.043 15.099 57.716 1.00 57.45  ? 314 LYS E CG  1 
ATOM   188 C CD  . LYS A 1 24 ? 15.660 16.238 56.934 1.00 59.47  ? 314 LYS E CD  1 
ATOM   189 C CE  . LYS A 1 24 ? 16.640 15.639 55.921 1.00 62.57  ? 314 LYS E CE  1 
ATOM   190 N NZ  . LYS A 1 24 ? 16.033 14.507 55.154 1.00 58.94  ? 314 LYS E NZ  1 
ATOM   191 N N   . TYR A 1 25 ? 15.294 13.321 61.215 1.00 26.42  ? 315 TYR E N   1 
ATOM   192 C CA  . TYR A 1 25 ? 16.436 12.505 61.608 1.00 24.30  ? 315 TYR E CA  1 
ATOM   193 C C   . TYR A 1 25 ? 16.268 11.497 62.751 1.00 25.37  ? 315 TYR E C   1 
ATOM   194 O O   . TYR A 1 25 ? 17.261 11.116 63.389 1.00 24.96  ? 315 TYR E O   1 
ATOM   195 C CB  . TYR A 1 25 ? 17.544 13.462 61.966 1.00 19.54  ? 315 TYR E CB  1 
ATOM   196 C CG  . TYR A 1 25 ? 17.918 14.364 60.822 1.00 23.92  ? 315 TYR E CG  1 
ATOM   197 C CD1 . TYR A 1 25 ? 18.854 13.959 59.876 1.00 27.84  ? 315 TYR E CD1 1 
ATOM   198 C CD2 . TYR A 1 25 ? 17.385 15.644 60.708 1.00 19.51  ? 315 TYR E CD2 1 
ATOM   199 C CE1 . TYR A 1 25 ? 19.260 14.812 58.858 1.00 23.30  ? 315 TYR E CE1 1 
ATOM   200 C CE2 . TYR A 1 25 ? 17.784 16.494 59.692 1.00 20.14  ? 315 TYR E CE2 1 
ATOM   201 C CZ  . TYR A 1 25 ? 18.728 16.072 58.787 1.00 18.64  ? 315 TYR E CZ  1 
ATOM   202 O OH  . TYR A 1 25 ? 19.241 16.930 57.854 1.00 30.84  ? 315 TYR E OH  1 
ATOM   203 N N   . LYS A 1 26 ? 15.047 10.991 62.920 1.00 17.18  ? 316 LYS E N   1 
ATOM   204 C CA  . LYS A 1 26 ? 14.660 10.052 63.974 1.00 16.85  ? 316 LYS E CA  1 
ATOM   205 C C   . LYS A 1 26 ? 15.551 8.848  64.061 1.00 17.81  ? 316 LYS E C   1 
ATOM   206 O O   . LYS A 1 26 ? 15.638 8.223  65.111 1.00 20.62  ? 316 LYS E O   1 
ATOM   207 C CB  . LYS A 1 26 ? 13.251 9.562  63.715 1.00 19.03  ? 316 LYS E CB  1 
ATOM   208 C CG  . LYS A 1 26 ? 12.268 10.666 63.679 1.00 20.54  ? 316 LYS E CG  1 
ATOM   209 C CD  . LYS A 1 26 ? 11.024 10.206 63.003 1.00 29.04  ? 316 LYS E CD  1 
ATOM   210 C CE  . LYS A 1 26 ? 11.331 9.582  61.614 1.00 36.08  ? 316 LYS E CE  1 
ATOM   211 N NZ  . LYS A 1 26 ? 12.123 10.443 60.658 1.00 33.40  ? 316 LYS E NZ  1 
ATOM   212 N N   . GLN A 1 27 ? 16.108 8.433  62.930 1.00 28.58  ? 317 GLN E N   1 
ATOM   213 C CA  . GLN A 1 27 ? 17.013 7.278  62.945 1.00 28.84  ? 317 GLN E CA  1 
ATOM   214 C C   . GLN A 1 27 ? 18.329 7.645  63.604 1.00 24.47  ? 317 GLN E C   1 
ATOM   215 O O   . GLN A 1 27 ? 19.079 6.774  64.009 1.00 24.82  ? 317 GLN E O   1 
ATOM   216 C CB  . GLN A 1 27 ? 17.276 6.682  61.530 1.00 26.68  ? 317 GLN E CB  1 
ATOM   217 C CG  . GLN A 1 27 ? 18.249 7.431  60.619 1.00 16.69  ? 317 GLN E CG  1 
ATOM   218 C CD  . GLN A 1 27 ? 17.614 8.612  59.940 1.00 13.44  ? 317 GLN E CD  1 
ATOM   219 O OE1 . GLN A 1 27 ? 18.210 9.239  59.075 1.00 15.96  ? 317 GLN E OE1 1 
ATOM   220 N NE2 . GLN A 1 27 ? 16.384 8.884  60.278 1.00 14.35  ? 317 GLN E NE2 1 
ATOM   221 N N   . LEU A 1 28 ? 18.613 8.938  63.671 1.00 17.17  ? 318 LEU E N   1 
ATOM   222 C CA  . LEU A 1 28 ? 19.850 9.442  64.248 1.00 15.24  ? 318 LEU E CA  1 
ATOM   223 C C   . LEU A 1 28 ? 19.889 9.682  65.761 1.00 14.17  ? 318 LEU E C   1 
ATOM   224 O O   . LEU A 1 28 ? 20.881 10.200 66.290 1.00 12.18  ? 318 LEU E O   1 
ATOM   225 C CB  . LEU A 1 28 ? 20.293 10.692 63.488 1.00 18.26  ? 318 LEU E CB  1 
ATOM   226 C CG  . LEU A 1 28 ? 20.574 10.522 61.995 1.00 18.03  ? 318 LEU E CG  1 
ATOM   227 C CD1 . LEU A 1 28 ? 21.125 11.825 61.485 1.00 16.93  ? 318 LEU E CD1 1 
ATOM   228 C CD2 . LEU A 1 28 ? 21.559 9.393  61.745 1.00 7.52   ? 318 LEU E CD2 1 
ATOM   229 N N   . TYR A 1 29 ? 18.779 9.421  66.438 1.00 20.43  ? 319 TYR E N   1 
ATOM   230 C CA  . TYR A 1 29 ? 18.720 9.541  67.899 1.00 19.92  ? 319 TYR E CA  1 
ATOM   231 C C   . TYR A 1 29 ? 17.521 8.710  68.352 1.00 26.30  ? 319 TYR E C   1 
ATOM   232 O O   . TYR A 1 29 ? 16.673 8.305  67.535 1.00 23.31  ? 319 TYR E O   1 
ATOM   233 C CB  . TYR A 1 29 ? 18.557 10.990 68.361 1.00 14.10  ? 319 TYR E CB  1 
ATOM   234 C CG  . TYR A 1 29 ? 17.199 11.548 68.053 1.00 16.44  ? 319 TYR E CG  1 
ATOM   235 C CD1 . TYR A 1 29 ? 16.910 12.078 66.797 1.00 16.21  ? 319 TYR E CD1 1 
ATOM   236 C CD2 . TYR A 1 29 ? 16.168 11.439 68.983 1.00 19.61  ? 319 TYR E CD2 1 
ATOM   237 C CE1 . TYR A 1 29 ? 15.629 12.466 66.475 1.00 19.19  ? 319 TYR E CE1 1 
ATOM   238 C CE2 . TYR A 1 29 ? 14.894 11.815 68.671 1.00 14.16  ? 319 TYR E CE2 1 
ATOM   239 C CZ  . TYR A 1 29 ? 14.631 12.325 67.416 1.00 19.95  ? 319 TYR E CZ  1 
ATOM   240 O OH  . TYR A 1 29 ? 13.358 12.686 67.091 1.00 26.05  ? 319 TYR E OH  1 
ATOM   241 N N   . GLU A 1 30 ? 17.432 8.464  69.650 1.00 25.36  ? 320 GLU E N   1 
ATOM   242 C CA  . GLU A 1 30 ? 16.323 7.688  70.194 1.00 19.00  ? 320 GLU E CA  1 
ATOM   243 C C   . GLU A 1 30 ? 15.236 8.546  70.802 1.00 20.64  ? 320 GLU E C   1 
ATOM   244 O O   . GLU A 1 30 ? 14.107 8.546  70.324 1.00 27.39  ? 320 GLU E O   1 
ATOM   245 C CB  . GLU A 1 30 ? 16.848 6.660  71.187 1.00 24.41  ? 320 GLU E CB  1 
ATOM   246 C CG  . GLU A 1 30 ? 17.644 5.622  70.476 1.00 34.57  ? 320 GLU E CG  1 
ATOM   247 C CD  . GLU A 1 30 ? 16.802 4.925  69.411 1.00 43.48  ? 320 GLU E CD  1 
ATOM   248 O OE1 . GLU A 1 30 ? 15.919 4.130  69.797 1.00 48.26  ? 320 GLU E OE1 1 
ATOM   249 O OE2 . GLU A 1 30 ? 16.981 5.201  68.197 1.00 44.93  ? 320 GLU E OE2 1 
ATOM   250 N N   . GLN A 1 31 ? 15.585 9.285  71.856 1.00 19.21  ? 321 GLN E N   1 
ATOM   251 C CA  . GLN A 1 31 ? 14.636 10.139 72.542 1.00 15.88  ? 321 GLN E CA  1 
ATOM   252 C C   . GLN A 1 31 ? 15.118 11.565 72.738 1.00 17.59  ? 321 GLN E C   1 
ATOM   253 O O   . GLN A 1 31 ? 16.318 11.793 72.872 1.00 13.08  ? 321 GLN E O   1 
ATOM   254 C CB  . GLN A 1 31 ? 14.293 9.505  73.864 1.00 20.43  ? 321 GLN E CB  1 
ATOM   255 C CG  . GLN A 1 31 ? 13.838 8.109  73.660 1.00 22.99  ? 321 GLN E CG  1 
ATOM   256 C CD  . GLN A 1 31 ? 13.285 7.526  74.870 1.00 26.62  ? 321 GLN E CD  1 
ATOM   257 O OE1 . GLN A 1 31 ? 12.094 7.251  74.928 1.00 25.83  ? 321 GLN E OE1 1 
ATOM   258 N NE2 . GLN A 1 31 ? 14.133 7.320  75.878 1.00 25.65  ? 321 GLN E NE2 1 
ATOM   259 N N   . VAL A 1 32 ? 14.171 12.514 72.663 1.00 9.61   ? 322 VAL E N   1 
ATOM   260 C CA  . VAL A 1 32 ? 14.448 13.939 72.841 1.00 8.63   ? 322 VAL E CA  1 
ATOM   261 C C   . VAL A 1 32 ? 13.536 14.293 74.004 1.00 12.51  ? 322 VAL E C   1 
ATOM   262 O O   . VAL A 1 32 ? 12.387 13.880 74.032 1.00 14.11  ? 322 VAL E O   1 
ATOM   263 C CB  . VAL A 1 32 ? 14.029 14.855 71.652 1.00 13.58  ? 322 VAL E CB  1 
ATOM   264 C CG1 . VAL A 1 32 ? 14.998 16.003 71.497 1.00 10.42  ? 322 VAL E CG1 1 
ATOM   265 C CG2 . VAL A 1 32 ? 13.904 14.126 70.419 1.00 14.58  ? 322 VAL E CG2 1 
ATOM   266 N N   . SER A 1 33 ? 14.059 14.994 74.989 1.00 15.27  ? 323 SER E N   1 
ATOM   267 C CA  . SER A 1 33 ? 13.234 15.361 76.109 1.00 20.78  ? 323 SER E CA  1 
ATOM   268 C C   . SER A 1 33 ? 12.500 16.618 75.736 1.00 20.18  ? 323 SER E C   1 
ATOM   269 O O   . SER A 1 33 ? 12.706 17.160 74.668 1.00 20.65  ? 323 SER E O   1 
ATOM   270 C CB  . SER A 1 33 ? 14.102 15.677 77.320 1.00 19.71  ? 323 SER E CB  1 
ATOM   271 O OG  . SER A 1 33 ? 14.764 16.906 77.137 1.00 7.09   ? 323 SER E OG  1 
ATOM   272 N N   . SER A 1 34 ? 11.542 16.997 76.564 1.00 14.37  ? 324 SER E N   1 
ATOM   273 C CA  . SER A 1 34 ? 10.869 18.263 76.397 1.00 13.78  ? 324 SER E CA  1 
ATOM   274 C C   . SER A 1 34 ? 11.894 19.277 77.002 1.00 11.75  ? 324 SER E C   1 
ATOM   275 O O   . SER A 1 34 ? 12.972 18.899 77.472 1.00 8.25   ? 324 SER E O   1 
ATOM   276 C CB  . SER A 1 34 ? 9.558  18.244 77.180 1.00 18.70  ? 324 SER E CB  1 
ATOM   277 O OG  . SER A 1 34 ? 9.773  17.746 78.504 1.00 17.87  ? 324 SER E OG  1 
ATOM   278 N N   . THR A 1 35 ? 11.629 20.558 76.835 1.00 14.74  ? 325 THR E N   1 
ATOM   279 C CA  . THR A 1 35 ? 12.507 21.589 77.362 1.00 18.09  ? 325 THR E CA  1 
ATOM   280 C C   . THR A 1 35 ? 12.457 21.678 78.891 1.00 17.38  ? 325 THR E C   1 
ATOM   281 O O   . THR A 1 35 ? 11.403 21.552 79.536 1.00 26.25  ? 325 THR E O   1 
ATOM   282 C CB  . THR A 1 35 ? 12.250 22.970 76.713 1.00 22.83  ? 325 THR E CB  1 
ATOM   283 O OG1 . THR A 1 35 ? 12.304 22.852 75.283 1.00 29.06  ? 325 THR E OG1 1 
ATOM   284 C CG2 . THR A 1 35 ? 13.334 23.907 77.103 1.00 26.01  ? 325 THR E CG2 1 
ATOM   285 N N   . TRP A 1 36 ? 13.635 21.829 79.469 1.00 18.98  ? 326 TRP E N   1 
ATOM   286 C CA  . TRP A 1 36 ? 13.789 21.914 80.899 1.00 16.97  ? 326 TRP E CA  1 
ATOM   287 C C   . TRP A 1 36 ? 14.843 22.946 81.214 1.00 15.93  ? 326 TRP E C   1 
ATOM   288 O O   . TRP A 1 36 ? 15.560 23.415 80.324 1.00 7.81   ? 326 TRP E O   1 
ATOM   289 C CB  . TRP A 1 36 ? 14.088 20.527 81.514 1.00 12.35  ? 326 TRP E CB  1 
ATOM   290 C CG  . TRP A 1 36 ? 15.324 19.768 81.031 1.00 9.48   ? 326 TRP E CG  1 
ATOM   291 C CD1 . TRP A 1 36 ? 15.388 18.853 80.025 1.00 9.04   ? 326 TRP E CD1 1 
ATOM   292 C CD2 . TRP A 1 36 ? 16.634 19.822 81.602 1.00 7.60   ? 326 TRP E CD2 1 
ATOM   293 N NE1 . TRP A 1 36 ? 16.660 18.327 79.935 1.00 3.80   ? 326 TRP E NE1 1 
ATOM   294 C CE2 . TRP A 1 36 ? 17.433 18.893 80.903 1.00 8.52   ? 326 TRP E CE2 1 
ATOM   295 C CE3 . TRP A 1 36 ? 17.198 20.554 82.632 1.00 5.29   ? 326 TRP E CE3 1 
ATOM   296 C CZ2 . TRP A 1 36 ? 18.766 18.679 81.208 1.00 10.36  ? 326 TRP E CZ2 1 
ATOM   297 C CZ3 . TRP A 1 36 ? 18.506 20.349 82.937 1.00 7.65   ? 326 TRP E CZ3 1 
ATOM   298 C CH2 . TRP A 1 36 ? 19.293 19.410 82.229 1.00 9.42   ? 326 TRP E CH2 1 
ATOM   299 N N   . HIS A 1 37 ? 14.909 23.358 82.460 1.00 16.01  ? 327 HIS E N   1 
ATOM   300 C CA  . HIS A 1 37 ? 15.883 24.360 82.813 1.00 15.06  ? 327 HIS E CA  1 
ATOM   301 C C   . HIS A 1 37 ? 16.297 24.069 84.251 1.00 17.49  ? 327 HIS E C   1 
ATOM   302 O O   . HIS A 1 37 ? 15.634 23.291 84.932 1.00 12.16  ? 327 HIS E O   1 
ATOM   303 C CB  . HIS A 1 37 ? 15.224 25.742 82.694 1.00 14.72  ? 327 HIS E CB  1 
ATOM   304 C CG  . HIS A 1 37 ? 14.166 25.992 83.723 1.00 17.47  ? 327 HIS E CG  1 
ATOM   305 N ND1 . HIS A 1 37 ? 12.824 25.795 83.478 1.00 20.39  ? 327 HIS E ND1 1 
ATOM   306 C CD2 . HIS A 1 37 ? 14.258 26.361 85.027 1.00 21.31  ? 327 HIS E CD2 1 
ATOM   307 C CE1 . HIS A 1 37 ? 12.135 26.020 84.587 1.00 21.38  ? 327 HIS E CE1 1 
ATOM   308 N NE2 . HIS A 1 37 ? 12.983 26.364 85.542 1.00 17.75  ? 327 HIS E NE2 1 
ATOM   309 N N   . TRP A 1 38 ? 17.376 24.694 84.708 1.00 17.80  ? 328 TRP E N   1 
ATOM   310 C CA  . TRP A 1 38 ? 17.812 24.510 86.074 1.00 22.83  ? 328 TRP E CA  1 
ATOM   311 C C   . TRP A 1 38 ? 16.947 25.386 86.936 1.00 21.94  ? 328 TRP E C   1 
ATOM   312 O O   . TRP A 1 38 ? 16.749 26.565 86.647 1.00 24.40  ? 328 TRP E O   1 
ATOM   313 C CB  . TRP A 1 38 ? 19.260 24.949 86.276 1.00 5.38   ? 328 TRP E CB  1 
ATOM   314 C CG  . TRP A 1 38 ? 20.246 24.073 85.544 1.00 12.44  ? 328 TRP E CG  1 
ATOM   315 C CD1 . TRP A 1 38 ? 21.099 24.481 84.578 1.00 5.41   ? 328 TRP E CD1 1 
ATOM   316 C CD2 . TRP A 1 38 ? 20.396 22.628 85.639 1.00 14.37  ? 328 TRP E CD2 1 
ATOM   317 N NE1 . TRP A 1 38 ? 21.768 23.401 84.046 1.00 12.75  ? 328 TRP E NE1 1 
ATOM   318 C CE2 . TRP A 1 38 ? 21.368 22.252 84.677 1.00 9.98   ? 328 TRP E CE2 1 
ATOM   319 C CE3 . TRP A 1 38 ? 19.800 21.625 86.431 1.00 12.78  ? 328 TRP E CE3 1 
ATOM   320 C CZ2 . TRP A 1 38 ? 21.777 20.902 84.475 1.00 9.47   ? 328 TRP E CZ2 1 
ATOM   321 C CZ3 . TRP A 1 38 ? 20.203 20.269 86.228 1.00 14.00  ? 328 TRP E CZ3 1 
ATOM   322 C CH2 . TRP A 1 38 ? 21.191 19.933 85.248 1.00 9.81   ? 328 TRP E CH2 1 
ATOM   323 N N   . THR A 1 39 ? 16.503 24.833 88.042 1.00 25.18  ? 329 THR E N   1 
ATOM   324 C CA  . THR A 1 39 ? 15.682 25.524 89.007 1.00 24.51  ? 329 THR E CA  1 
ATOM   325 C C   . THR A 1 39 ? 16.376 26.794 89.540 1.00 33.09  ? 329 THR E C   1 
ATOM   326 O O   . THR A 1 39 ? 15.724 27.797 89.836 1.00 37.00  ? 329 THR E O   1 
ATOM   327 C CB  . THR A 1 39 ? 15.334 24.518 90.099 1.00 16.44  ? 329 THR E CB  1 
ATOM   328 O OG1 . THR A 1 39 ? 14.200 23.756 89.677 1.00 25.10  ? 329 THR E OG1 1 
ATOM   329 C CG2 . THR A 1 39 ? 15.084 25.142 91.384 1.00 34.15  ? 329 THR E CG2 1 
ATOM   330 N N   . CYS A 1 40 ? 17.690 26.796 89.649 1.00 40.38  ? 330 CYS E N   1 
ATOM   331 C CA  . CYS A 1 40 ? 18.326 28.013 90.128 1.00 53.07  ? 330 CYS E CA  1 
ATOM   332 C C   . CYS A 1 40 ? 18.179 29.186 89.138 1.00 60.49  ? 330 CYS E C   1 
ATOM   333 O O   . CYS A 1 40 ? 18.218 30.358 89.519 1.00 60.97  ? 330 CYS E O   1 
ATOM   334 C CB  . CYS A 1 40 ? 19.799 27.759 90.419 1.00 57.21  ? 330 CYS E CB  1 
ATOM   335 S SG  . CYS A 1 40 ? 20.791 27.509 88.965 1.00 59.77  ? 330 CYS E SG  1 
ATOM   336 N N   . THR A 1 41 ? 17.962 28.856 87.871 1.00 67.80  ? 331 THR E N   1 
ATOM   337 C CA  . THR A 1 41 ? 17.884 29.855 86.818 1.00 74.24  ? 331 THR E CA  1 
ATOM   338 C C   . THR A 1 41 ? 16.534 30.474 86.476 1.00 80.09  ? 331 THR E C   1 
ATOM   339 O O   . THR A 1 41 ? 15.558 29.787 86.131 1.00 75.69  ? 331 THR E O   1 
ATOM   340 C CB  . THR A 1 41 ? 18.491 29.316 85.502 1.00 73.99  ? 331 THR E CB  1 
ATOM   341 O OG1 . THR A 1 41 ? 17.742 28.177 85.062 1.00 72.44  ? 331 THR E OG1 1 
ATOM   342 C CG2 . THR A 1 41 ? 19.956 28.903 85.705 1.00 76.70  ? 331 THR E CG2 1 
ATOM   343 N N   . ASP A 1 42 ? 16.529 31.803 86.535 1.00 88.01  ? 332 ASP E N   1 
ATOM   344 C CA  . ASP A 1 42 ? 15.371 32.623 86.201 1.00 92.90  ? 332 ASP E CA  1 
ATOM   345 C C   . ASP A 1 42 ? 15.579 33.012 84.742 1.00 94.26  ? 332 ASP E C   1 
ATOM   346 O O   . ASP A 1 42 ? 14.640 33.438 84.064 1.00 97.05  ? 332 ASP E O   1 
ATOM   347 C CB  . ASP A 1 42 ? 15.338 33.884 87.089 1.00 96.72  ? 332 ASP E CB  1 
ATOM   348 C CG  . ASP A 1 42 ? 13.983 34.597 87.072 1.00 98.15  ? 332 ASP E CG  1 
ATOM   349 O OD1 . ASP A 1 42 ? 13.060 34.136 86.361 1.00 100.00 ? 332 ASP E OD1 1 
ATOM   350 O OD2 . ASP A 1 42 ? 13.837 35.614 87.787 1.00 95.36  ? 332 ASP E OD2 1 
ATOM   351 N N   . GLY A 1 43 ? 16.825 32.865 84.284 1.00 92.90  ? 333 GLY E N   1 
ATOM   352 C CA  . GLY A 1 43 ? 17.199 33.188 82.919 1.00 93.85  ? 333 GLY E CA  1 
ATOM   353 C C   . GLY A 1 43 ? 16.234 32.563 81.935 1.00 96.50  ? 333 GLY E C   1 
ATOM   354 O O   . GLY A 1 43 ? 16.410 31.422 81.486 1.00 96.60  ? 333 GLY E O   1 
ATOM   355 N N   . LYS A 1 44 ? 15.184 33.318 81.630 1.00 97.19  ? 334 LYS E N   1 
ATOM   356 C CA  . LYS A 1 44 ? 14.147 32.876 80.723 1.00 89.25  ? 334 LYS E CA  1 
ATOM   357 C C   . LYS A 1 44 ? 14.709 32.580 79.341 1.00 83.86  ? 334 LYS E C   1 
ATOM   358 O O   . LYS A 1 44 ? 15.627 33.250 78.854 1.00 84.13  ? 334 LYS E O   1 
ATOM   359 C CB  . LYS A 1 44 ? 13.035 33.932 80.633 1.00 89.74  ? 334 LYS E CB  1 
ATOM   360 C CG  . LYS A 1 44 ? 11.619 33.367 80.695 1.00 89.06  ? 334 LYS E CG  1 
ATOM   361 C CD  . LYS A 1 44 ? 11.344 32.416 79.538 1.00 93.64  ? 334 LYS E CD  1 
ATOM   362 C CE  . LYS A 1 44 ? 10.025 31.675 79.716 1.00 98.87  ? 334 LYS E CE  1 
ATOM   363 N NZ  . LYS A 1 44 ? 9.890  30.526 78.768 1.00 97.98  ? 334 LYS E NZ  1 
ATOM   364 N N   . HIS A 1 45 ? 14.212 31.491 78.774 1.00 78.11  ? 335 HIS E N   1 
ATOM   365 C CA  . HIS A 1 45 ? 14.571 31.047 77.437 1.00 69.69  ? 335 HIS E CA  1 
ATOM   366 C C   . HIS A 1 45 ? 15.973 30.571 77.094 1.00 69.11  ? 335 HIS E C   1 
ATOM   367 O O   . HIS A 1 45 ? 16.092 29.449 76.611 1.00 78.38  ? 335 HIS E O   1 
ATOM   368 C CB  . HIS A 1 45 ? 14.112 32.070 76.411 1.00 68.79  ? 335 HIS E CB  1 
ATOM   369 C CG  . HIS A 1 45 ? 12.765 31.776 75.845 1.00 62.27  ? 335 HIS E CG  1 
ATOM   370 N ND1 . HIS A 1 45 ? 12.473 31.913 74.506 1.00 57.30  ? 335 HIS E ND1 1 
ATOM   371 C CD2 . HIS A 1 45 ? 11.643 31.298 76.430 1.00 58.86  ? 335 HIS E CD2 1 
ATOM   372 C CE1 . HIS A 1 45 ? 11.231 31.525 74.288 1.00 65.35  ? 335 HIS E CE1 1 
ATOM   373 N NE2 . HIS A 1 45 ? 10.705 31.146 75.438 1.00 68.34  ? 335 HIS E NE2 1 
ATOM   374 N N   . LYS A 1 46 ? 17.028 31.366 77.316 1.00 65.56  ? 336 LYS E N   1 
ATOM   375 C CA  . LYS A 1 46 ? 18.371 30.893 76.925 1.00 60.14  ? 336 LYS E CA  1 
ATOM   376 C C   . LYS A 1 46 ? 19.042 29.895 77.890 1.00 54.72  ? 336 LYS E C   1 
ATOM   377 O O   . LYS A 1 46 ? 20.158 29.409 77.662 1.00 49.55  ? 336 LYS E O   1 
ATOM   378 C CB  . LYS A 1 46 ? 19.291 32.042 76.482 1.00 70.03  ? 336 LYS E CB  1 
ATOM   379 C CG  . LYS A 1 46 ? 20.467 31.544 75.631 1.00 81.48  ? 336 LYS E CG  1 
ATOM   380 C CD  . LYS A 1 46 ? 21.306 32.650 74.975 1.00 86.10  ? 336 LYS E CD  1 
ATOM   381 C CE  . LYS A 1 46 ? 22.294 32.036 73.955 1.00 89.72  ? 336 LYS E CE  1 
ATOM   382 N NZ  . LYS A 1 46 ? 22.961 33.009 73.023 1.00 90.24  ? 336 LYS E NZ  1 
ATOM   383 N N   . ASN A 1 47 ? 18.356 29.650 79.001 1.00 50.45  ? 337 ASN E N   1 
ATOM   384 C CA  . ASN A 1 47 ? 18.783 28.692 80.014 1.00 49.06  ? 337 ASN E CA  1 
ATOM   385 C C   . ASN A 1 47 ? 17.889 27.467 79.904 1.00 41.35  ? 337 ASN E C   1 
ATOM   386 O O   . ASN A 1 47 ? 17.589 26.804 80.908 1.00 51.97  ? 337 ASN E O   1 
ATOM   387 C CB  . ASN A 1 47 ? 18.701 29.270 81.434 1.00 58.54  ? 337 ASN E CB  1 
ATOM   388 C CG  . ASN A 1 47 ? 19.846 30.203 81.754 1.00 64.24  ? 337 ASN E CG  1 
ATOM   389 O OD1 . ASN A 1 47 ? 19.671 31.418 81.804 1.00 77.00  ? 337 ASN E OD1 1 
ATOM   390 N ND2 . ASN A 1 47 ? 21.024 29.639 82.007 1.00 64.86  ? 337 ASN E ND2 1 
ATOM   391 N N   . ALA A 1 48 ? 17.418 27.211 78.686 1.00 24.93  ? 338 ALA E N   1 
ATOM   392 C CA  . ALA A 1 48 ? 16.559 26.067 78.420 1.00 15.04  ? 338 ALA E CA  1 
ATOM   393 C C   . ALA A 1 48 ? 17.478 24.946 77.895 1.00 19.51  ? 338 ALA E C   1 
ATOM   394 O O   . ALA A 1 48 ? 18.544 25.228 77.314 1.00 14.52  ? 338 ALA E O   1 
ATOM   395 C CB  . ALA A 1 48 ? 15.486 26.452 77.420 1.00 11.15  ? 338 ALA E CB  1 
ATOM   396 N N   . ILE A 1 49 ? 17.187 23.707 78.290 1.00 14.99  ? 339 ILE E N   1 
ATOM   397 C CA  . ILE A 1 49 ? 17.972 22.572 77.863 1.00 14.79  ? 339 ILE E CA  1 
ATOM   398 C C   . ILE A 1 49 ? 17.079 21.437 77.377 1.00 13.50  ? 339 ILE E C   1 
ATOM   399 O O   . ILE A 1 49 ? 15.927 21.323 77.756 1.00 18.81  ? 339 ILE E O   1 
ATOM   400 C CB  . ILE A 1 49 ? 18.840 22.017 78.993 1.00 18.78  ? 339 ILE E CB  1 
ATOM   401 C CG1 . ILE A 1 49 ? 19.725 23.102 79.579 1.00 13.01  ? 339 ILE E CG1 1 
ATOM   402 C CG2 . ILE A 1 49 ? 19.740 20.895 78.452 1.00 16.50  ? 339 ILE E CG2 1 
ATOM   403 C CD1 . ILE A 1 49 ? 20.430 22.644 80.834 1.00 19.30  ? 339 ILE E CD1 1 
ATOM   404 N N   . VAL A 1 50 ? 17.645 20.595 76.531 1.00 6.91   ? 340 VAL E N   1 
ATOM   405 C CA  . VAL A 1 50 ? 16.965 19.465 75.947 1.00 7.88   ? 340 VAL E CA  1 
ATOM   406 C C   . VAL A 1 50 ? 18.029 18.363 75.971 1.00 6.96   ? 340 VAL E C   1 
ATOM   407 O O   . VAL A 1 50 ? 19.219 18.619 75.793 1.00 8.36   ? 340 VAL E O   1 
ATOM   408 C CB  . VAL A 1 50 ? 16.494 19.881 74.509 1.00 17.82  ? 340 VAL E CB  1 
ATOM   409 C CG1 . VAL A 1 50 ? 16.196 18.693 73.616 1.00 23.75  ? 340 VAL E CG1 1 
ATOM   410 C CG2 . VAL A 1 50 ? 15.268 20.759 74.614 1.00 19.25  ? 340 VAL E CG2 1 
ATOM   411 N N   . THR A 1 51 ? 17.590 17.172 76.354 1.00 18.78  ? 341 THR E N   1 
ATOM   412 C CA  . THR A 1 51 ? 18.436 15.992 76.459 1.00 20.89  ? 341 THR E CA  1 
ATOM   413 C C   . THR A 1 51 ? 18.002 15.036 75.374 1.00 16.18  ? 341 THR E C   1 
ATOM   414 O O   . THR A 1 51 ? 16.823 14.951 75.095 1.00 10.58  ? 341 THR E O   1 
ATOM   415 C CB  . THR A 1 51 ? 18.200 15.307 77.828 1.00 16.74  ? 341 THR E CB  1 
ATOM   416 O OG1 . THR A 1 51 ? 18.490 16.239 78.880 1.00 12.59  ? 341 THR E OG1 1 
ATOM   417 C CG2 . THR A 1 51 ? 19.060 14.063 78.003 1.00 7.38   ? 341 THR E CG2 1 
ATOM   418 N N   . LEU A 1 52 ? 18.955 14.384 74.718 1.00 6.48   ? 342 LEU E N   1 
ATOM   419 C CA  . LEU A 1 52 ? 18.656 13.397 73.666 1.00 6.44   ? 342 LEU E CA  1 
ATOM   420 C C   . LEU A 1 52 ? 19.459 12.200 74.077 1.00 8.47   ? 342 LEU E C   1 
ATOM   421 O O   . LEU A 1 52 ? 20.517 12.374 74.671 1.00 9.98   ? 342 LEU E O   1 
ATOM   422 C CB  . LEU A 1 52 ? 19.185 13.804 72.287 1.00 9.78   ? 342 LEU E CB  1 
ATOM   423 C CG  . LEU A 1 52 ? 18.830 14.934 71.312 1.00 12.58  ? 342 LEU E CG  1 
ATOM   424 C CD1 . LEU A 1 52 ? 17.697 14.567 70.406 1.00 5.54   ? 342 LEU E CD1 1 
ATOM   425 C CD2 . LEU A 1 52 ? 18.588 16.201 72.056 1.00 19.38  ? 342 LEU E CD2 1 
ATOM   426 N N   . THR A 1 53 ? 19.019 10.998 73.726 1.00 13.65  ? 343 THR E N   1 
ATOM   427 C CA  . THR A 1 53 ? 19.772 9.789  74.053 1.00 12.67  ? 343 THR E CA  1 
ATOM   428 C C   . THR A 1 53 ? 20.060 9.092  72.743 1.00 12.64  ? 343 THR E C   1 
ATOM   429 O O   . THR A 1 53 ? 19.425 9.407  71.725 1.00 19.46  ? 343 THR E O   1 
ATOM   430 C CB  . THR A 1 53 ? 19.003 8.835  74.979 1.00 18.71  ? 343 THR E CB  1 
ATOM   431 O OG1 . THR A 1 53 ? 17.843 8.339  74.310 1.00 18.81  ? 343 THR E OG1 1 
ATOM   432 C CG2 . THR A 1 53 ? 18.605 9.531  76.292 1.00 9.58   ? 343 THR E CG2 1 
ATOM   433 N N   . TYR A 1 54 ? 21.037 8.186  72.729 1.00 13.08  ? 344 TYR E N   1 
ATOM   434 C CA  . TYR A 1 54 ? 21.410 7.475  71.504 1.00 15.09  ? 344 TYR E CA  1 
ATOM   435 C C   . TYR A 1 54 ? 21.634 6.004  71.696 1.00 15.44  ? 344 TYR E C   1 
ATOM   436 O O   . TYR A 1 54 ? 21.946 5.539  72.809 1.00 17.00  ? 344 TYR E O   1 
ATOM   437 C CB  . TYR A 1 54 ? 22.686 8.073  70.953 1.00 7.25   ? 344 TYR E CB  1 
ATOM   438 C CG  . TYR A 1 54 ? 22.501 9.529  70.696 1.00 13.49  ? 344 TYR E CG  1 
ATOM   439 C CD1 . TYR A 1 54 ? 22.731 10.454 71.703 1.00 10.27  ? 344 TYR E CD1 1 
ATOM   440 C CD2 . TYR A 1 54 ? 22.042 9.979  69.476 1.00 14.04  ? 344 TYR E CD2 1 
ATOM   441 C CE1 . TYR A 1 54 ? 22.500 11.795 71.509 1.00 8.28   ? 344 TYR E CE1 1 
ATOM   442 C CE2 . TYR A 1 54 ? 21.804 11.313 69.269 1.00 17.44  ? 344 TYR E CE2 1 
ATOM   443 C CZ  . TYR A 1 54 ? 22.023 12.217 70.278 1.00 15.17  ? 344 TYR E CZ  1 
ATOM   444 O OH  . TYR A 1 54 ? 21.697 13.546 70.059 1.00 14.26  ? 344 TYR E OH  1 
ATOM   445 N N   . ILE A 1 55 ? 21.513 5.262  70.612 1.00 13.74  ? 345 ILE E N   1 
ATOM   446 C CA  . ILE A 1 55 ? 21.737 3.831  70.679 1.00 17.35  ? 345 ILE E CA  1 
ATOM   447 C C   . ILE A 1 55 ? 23.223 3.589  70.944 1.00 16.52  ? 345 ILE E C   1 
ATOM   448 O O   . ILE A 1 55 ? 23.624 2.648  71.635 1.00 22.86  ? 345 ILE E O   1 
ATOM   449 C CB  . ILE A 1 55 ? 21.352 3.126  69.350 1.00 15.47  ? 345 ILE E CB  1 
ATOM   450 C CG1 . ILE A 1 55 ? 19.874 3.360  69.023 1.00 15.50  ? 345 ILE E CG1 1 
ATOM   451 C CG2 . ILE A 1 55 ? 21.485 1.646  69.519 1.00 13.66  ? 345 ILE E CG2 1 
ATOM   452 C CD1 . ILE A 1 55 ? 19.452 2.883  67.636 1.00 10.21  ? 345 ILE E CD1 1 
ATOM   453 N N   . SER A 1 56 ? 24.051 4.437  70.363 1.00 15.75  ? 346 SER E N   1 
ATOM   454 C CA  . SER A 1 56 ? 25.476 4.253  70.490 1.00 10.72  ? 346 SER E CA  1 
ATOM   455 C C   . SER A 1 56 ? 26.203 5.533  70.201 1.00 9.61   ? 346 SER E C   1 
ATOM   456 O O   . SER A 1 56 ? 25.604 6.516  69.789 1.00 21.56  ? 346 SER E O   1 
ATOM   457 C CB  . SER A 1 56 ? 25.899 3.222  69.439 1.00 19.13  ? 346 SER E CB  1 
ATOM   458 O OG  . SER A 1 56 ? 25.717 3.723  68.112 1.00 19.76  ? 346 SER E OG  1 
ATOM   459 N N   . THR A 1 57 ? 27.500 5.527  70.482 1.00 15.44  ? 347 THR E N   1 
ATOM   460 C CA  . THR A 1 57 ? 28.380 6.646  70.179 1.00 12.34  ? 347 THR E CA  1 
ATOM   461 C C   . THR A 1 57 ? 28.407 6.825  68.680 1.00 13.43  ? 347 THR E C   1 
ATOM   462 O O   . THR A 1 57 ? 28.430 7.949  68.194 1.00 24.71  ? 347 THR E O   1 
ATOM   463 C CB  . THR A 1 57 ? 29.766 6.391  70.673 1.00 13.29  ? 347 THR E CB  1 
ATOM   464 O OG1 . THR A 1 57 ? 29.699 6.205  72.080 1.00 17.87  ? 347 THR E OG1 1 
ATOM   465 C CG2 . THR A 1 57 ? 30.637 7.579  70.402 1.00 24.22  ? 347 THR E CG2 1 
ATOM   466 N N   . SER A 1 58 ? 28.374 5.734  67.927 1.00 14.68  ? 348 SER E N   1 
ATOM   467 C CA  . SER A 1 58 ? 28.379 5.877  66.470 1.00 21.91  ? 348 SER E CA  1 
ATOM   468 C C   . SER A 1 58 ? 27.159 6.697  66.012 1.00 25.66  ? 348 SER E C   1 
ATOM   469 O O   . SER A 1 58 ? 27.286 7.596  65.165 1.00 29.06  ? 348 SER E O   1 
ATOM   470 C CB  . SER A 1 58 ? 28.338 4.515  65.790 1.00 29.74  ? 348 SER E CB  1 
ATOM   471 O OG  . SER A 1 58 ? 28.346 4.679  64.379 1.00 40.66  ? 348 SER E OG  1 
ATOM   472 N N   . GLN A 1 59 ? 25.978 6.359  66.539 1.00 26.72  ? 349 GLN E N   1 
ATOM   473 C CA  . GLN A 1 59 ? 24.774 7.106  66.223 1.00 21.09  ? 349 GLN E CA  1 
ATOM   474 C C   . GLN A 1 59 ? 24.927 8.558  66.659 1.00 22.83  ? 349 GLN E C   1 
ATOM   475 O O   . GLN A 1 59 ? 24.569 9.488  65.914 1.00 20.44  ? 349 GLN E O   1 
ATOM   476 C CB  . GLN A 1 59 ? 23.549 6.506  66.878 1.00 14.63  ? 349 GLN E CB  1 
ATOM   477 C CG  . GLN A 1 59 ? 22.298 7.137  66.355 1.00 19.48  ? 349 GLN E CG  1 
ATOM   478 C CD  . GLN A 1 59 ? 21.062 6.670  67.054 1.00 15.60  ? 349 GLN E CD  1 
ATOM   479 O OE1 . GLN A 1 59 ? 21.001 6.669  68.278 1.00 19.09  ? 349 GLN E OE1 1 
ATOM   480 N NE2 . GLN A 1 59 ? 20.065 6.267  66.290 1.00 17.14  ? 349 GLN E NE2 1 
ATOM   481 N N   . ARG A 1 60 ? 25.496 8.779  67.842 1.00 16.35  ? 350 ARG E N   1 
ATOM   482 C CA  . ARG A 1 60 ? 25.694 10.165 68.273 1.00 17.31  ? 350 ARG E CA  1 
ATOM   483 C C   . ARG A 1 60 ? 26.584 10.947 67.312 1.00 16.40  ? 350 ARG E C   1 
ATOM   484 O O   . ARG A 1 60 ? 26.370 12.133 67.128 1.00 24.46  ? 350 ARG E O   1 
ATOM   485 C CB  . ARG A 1 60 ? 26.226 10.245 69.689 1.00 22.37  ? 350 ARG E CB  1 
ATOM   486 C CG  . ARG A 1 60 ? 26.235 11.655 70.221 1.00 31.64  ? 350 ARG E CG  1 
ATOM   487 C CD  . ARG A 1 60 ? 26.545 11.683 71.700 1.00 34.62  ? 350 ARG E CD  1 
ATOM   488 N NE  . ARG A 1 60 ? 27.920 11.298 71.952 1.00 39.47  ? 350 ARG E NE  1 
ATOM   489 C CZ  . ARG A 1 60 ? 28.457 11.173 73.163 1.00 44.44  ? 350 ARG E CZ  1 
ATOM   490 N NH1 . ARG A 1 60 ? 27.736 11.402 74.264 1.00 39.58  ? 350 ARG E NH1 1 
ATOM   491 N NH2 . ARG A 1 60 ? 29.721 10.778 73.277 1.00 47.33  ? 350 ARG E NH2 1 
ATOM   492 N N   . ASP A 1 61 ? 27.641 10.297 66.798 1.00 23.37  ? 351 ASP E N   1 
ATOM   493 C CA  . ASP A 1 61 ? 28.581 10.905 65.841 1.00 20.60  ? 351 ASP E CA  1 
ATOM   494 C C   . ASP A 1 61 ? 27.863 11.305 64.561 1.00 20.38  ? 351 ASP E C   1 
ATOM   495 O O   . ASP A 1 61 ? 27.991 12.426 64.096 1.00 20.93  ? 351 ASP E O   1 
ATOM   496 C CB  . ASP A 1 61 ? 29.717 9.924  65.474 1.00 23.58  ? 351 ASP E CB  1 
ATOM   497 C CG  . ASP A 1 61 ? 30.715 9.683  66.614 1.00 25.18  ? 351 ASP E CG  1 
ATOM   498 O OD1 . ASP A 1 61 ? 31.076 10.629 67.333 1.00 29.90  ? 351 ASP E OD1 1 
ATOM   499 O OD2 . ASP A 1 61 ? 31.191 8.547  66.763 1.00 30.14  ? 351 ASP E OD2 1 
ATOM   500 N N   . ASP A 1 62 ? 27.079 10.370 64.029 1.00 19.51  ? 352 ASP E N   1 
ATOM   501 C CA  . ASP A 1 62 ? 26.288 10.573 62.817 1.00 16.86  ? 352 ASP E CA  1 
ATOM   502 C C   . ASP A 1 62 ? 25.304 11.698 63.008 1.00 21.41  ? 352 ASP E C   1 
ATOM   503 O O   . ASP A 1 62 ? 25.039 12.452 62.076 1.00 24.57  ? 352 ASP E O   1 
ATOM   504 C CB  . ASP A 1 62 ? 25.516 9.305  62.474 1.00 17.96  ? 352 ASP E CB  1 
ATOM   505 C CG  . ASP A 1 62 ? 26.425 8.145  62.111 1.00 24.09  ? 352 ASP E CG  1 
ATOM   506 O OD1 . ASP A 1 62 ? 27.645 8.348  61.923 1.00 28.08  ? 352 ASP E OD1 1 
ATOM   507 O OD2 . ASP A 1 62 ? 25.914 7.017  62.003 1.00 23.88  ? 352 ASP E OD2 1 
ATOM   508 N N   . PHE A 1 63 ? 24.699 11.764 64.201 1.00 22.38  ? 353 PHE E N   1 
ATOM   509 C CA  . PHE A 1 63 ? 23.764 12.832 64.531 1.00 15.78  ? 353 PHE E CA  1 
ATOM   510 C C   . PHE A 1 63 ? 24.496 14.175 64.488 1.00 17.22  ? 353 PHE E C   1 
ATOM   511 O O   . PHE A 1 63 ? 24.144 15.038 63.698 1.00 14.33  ? 353 PHE E O   1 
ATOM   512 C CB  . PHE A 1 63 ? 23.132 12.575 65.913 1.00 7.43   ? 353 PHE E CB  1 
ATOM   513 C CG  . PHE A 1 63 ? 22.199 13.704 66.398 1.00 13.96  ? 353 PHE E CG  1 
ATOM   514 C CD1 . PHE A 1 63 ? 20.849 13.735 66.029 1.00 5.64   ? 353 PHE E CD1 1 
ATOM   515 C CD2 . PHE A 1 63 ? 22.688 14.732 67.247 1.00 16.58  ? 353 PHE E CD2 1 
ATOM   516 C CE1 . PHE A 1 63 ? 20.013 14.745 66.479 1.00 9.43   ? 353 PHE E CE1 1 
ATOM   517 C CE2 . PHE A 1 63 ? 21.846 15.769 67.714 1.00 10.43  ? 353 PHE E CE2 1 
ATOM   518 C CZ  . PHE A 1 63 ? 20.507 15.773 67.327 1.00 8.79   ? 353 PHE E CZ  1 
ATOM   519 N N   . LEU A 1 64 ? 25.605 14.309 65.203 1.00 26.27  ? 354 LEU E N   1 
ATOM   520 C CA  . LEU A 1 64 ? 26.307 15.585 65.210 1.00 25.66  ? 354 LEU E CA  1 
ATOM   521 C C   . LEU A 1 64 ? 26.785 16.022 63.857 1.00 30.18  ? 354 LEU E C   1 
ATOM   522 O O   . LEU A 1 64 ? 26.718 17.195 63.538 1.00 38.13  ? 354 LEU E O   1 
ATOM   523 C CB  . LEU A 1 64 ? 27.462 15.592 66.220 1.00 23.08  ? 354 LEU E CB  1 
ATOM   524 C CG  . LEU A 1 64 ? 27.001 15.558 67.678 1.00 27.68  ? 354 LEU E CG  1 
ATOM   525 C CD1 . LEU A 1 64 ? 28.178 15.540 68.618 1.00 20.41  ? 354 LEU E CD1 1 
ATOM   526 C CD2 . LEU A 1 64 ? 26.080 16.753 67.934 1.00 24.95  ? 354 LEU E CD2 1 
ATOM   527 N N   . ASN A 1 65 ? 27.275 15.075 63.068 1.00 32.69  ? 355 ASN E N   1 
ATOM   528 C CA  . ASN A 1 65 ? 27.791 15.330 61.719 1.00 28.95  ? 355 ASN E CA  1 
ATOM   529 C C   . ASN A 1 65 ? 26.749 15.683 60.673 1.00 28.17  ? 355 ASN E C   1 
ATOM   530 O O   . ASN A 1 65 ? 27.072 16.324 59.681 1.00 33.23  ? 355 ASN E O   1 
ATOM   531 C CB  . ASN A 1 65 ? 28.615 14.142 61.213 1.00 27.82  ? 355 ASN E CB  1 
ATOM   532 C CG  . ASN A 1 65 ? 29.847 13.875 62.064 1.00 34.26  ? 355 ASN E CG  1 
ATOM   533 O OD1 . ASN A 1 65 ? 30.308 14.729 62.823 1.00 40.24  ? 355 ASN E OD1 1 
ATOM   534 N ND2 . ASN A 1 65 ? 30.401 12.693 61.921 1.00 41.64  ? 355 ASN E ND2 1 
ATOM   535 N N   . THR A 1 66 ? 25.522 15.207 60.875 1.00 24.80  ? 356 THR E N   1 
ATOM   536 C CA  . THR A 1 66 ? 24.407 15.418 59.958 1.00 23.06  ? 356 THR E CA  1 
ATOM   537 C C   . THR A 1 66 ? 23.400 16.507 60.300 1.00 23.91  ? 356 THR E C   1 
ATOM   538 O O   . THR A 1 66 ? 22.970 17.256 59.445 1.00 35.35  ? 356 THR E O   1 
ATOM   539 C CB  . THR A 1 66 ? 23.598 14.133 59.879 1.00 27.12  ? 356 THR E CB  1 
ATOM   540 O OG1 . THR A 1 66 ? 24.484 13.042 59.623 1.00 37.18  ? 356 THR E OG1 1 
ATOM   541 C CG2 . THR A 1 66 ? 22.551 14.216 58.806 1.00 28.22  ? 356 THR E CG2 1 
ATOM   542 N N   . VAL A 1 67 ? 22.977 16.565 61.545 1.00 25.19  ? 357 VAL E N   1 
ATOM   543 C CA  . VAL A 1 67 ? 21.982 17.533 61.911 1.00 24.80  ? 357 VAL E CA  1 
ATOM   544 C C   . VAL A 1 67 ? 22.602 18.925 62.061 1.00 32.26  ? 357 VAL E C   1 
ATOM   545 O O   . VAL A 1 67 ? 23.698 19.066 62.595 1.00 28.57  ? 357 VAL E O   1 
ATOM   546 C CB  . VAL A 1 67 ? 21.302 17.066 63.205 1.00 26.15  ? 357 VAL E CB  1 
ATOM   547 C CG1 . VAL A 1 67 ? 20.170 17.995 63.591 1.00 29.70  ? 357 VAL E CG1 1 
ATOM   548 C CG2 . VAL A 1 67 ? 20.772 15.658 63.016 1.00 25.83  ? 357 VAL E CG2 1 
ATOM   549 N N   . VAL A 1 68 ? 21.900 19.955 61.597 1.00 39.42  ? 358 VAL E N   1 
ATOM   550 C CA  . VAL A 1 68 ? 22.403 21.326 61.703 1.00 35.14  ? 358 VAL E CA  1 
ATOM   551 C C   . VAL A 1 68 ? 21.984 21.877 63.060 1.00 32.25  ? 358 VAL E C   1 
ATOM   552 O O   . VAL A 1 68 ? 20.798 22.115 63.308 1.00 29.83  ? 358 VAL E O   1 
ATOM   553 C CB  . VAL A 1 68 ? 21.788 22.280 60.623 1.00 39.57  ? 358 VAL E CB  1 
ATOM   554 C CG1 . VAL A 1 68 ? 22.547 23.613 60.581 1.00 39.67  ? 358 VAL E CG1 1 
ATOM   555 C CG2 . VAL A 1 68 ? 21.757 21.617 59.246 1.00 46.37  ? 358 VAL E CG2 1 
ATOM   556 N N   . ILE A 1 69 ? 22.962 22.055 63.940 1.00 30.84  ? 359 ILE E N   1 
ATOM   557 C CA  . ILE A 1 69 ? 22.722 22.622 65.257 1.00 28.10  ? 359 ILE E CA  1 
ATOM   558 C C   . ILE A 1 69 ? 23.279 24.054 65.187 1.00 29.09  ? 359 ILE E C   1 
ATOM   559 O O   . ILE A 1 69 ? 24.499 24.270 65.153 1.00 33.23  ? 359 ILE E O   1 
ATOM   560 C CB  . ILE A 1 69 ? 23.411 21.798 66.385 1.00 22.12  ? 359 ILE E CB  1 
ATOM   561 C CG1 . ILE A 1 69 ? 22.841 20.381 66.441 1.00 16.72  ? 359 ILE E CG1 1 
ATOM   562 C CG2 . ILE A 1 69 ? 23.166 22.441 67.747 1.00 22.37  ? 359 ILE E CG2 1 
ATOM   563 C CD1 . ILE A 1 69 ? 23.486 19.539 67.494 1.00 20.89  ? 359 ILE E CD1 1 
ATOM   564 N N   . PRO A 1 70 ? 22.391 25.059 65.227 1.00 23.72  ? 360 PRO E N   1 
ATOM   565 C CA  . PRO A 1 70 ? 22.801 26.458 65.155 1.00 23.75  ? 360 PRO E CA  1 
ATOM   566 C C   . PRO A 1 70 ? 23.835 26.898 66.191 1.00 28.28  ? 360 PRO E C   1 
ATOM   567 O O   . PRO A 1 70 ? 24.063 26.212 67.201 1.00 32.47  ? 360 PRO E O   1 
ATOM   568 C CB  . PRO A 1 70 ? 21.476 27.199 65.306 1.00 17.37  ? 360 PRO E CB  1 
ATOM   569 C CG  . PRO A 1 70 ? 20.613 26.245 65.987 1.00 17.73  ? 360 PRO E CG  1 
ATOM   570 C CD  . PRO A 1 70 ? 20.931 24.972 65.319 1.00 17.46  ? 360 PRO E CD  1 
ATOM   571 N N   . ASN A 1 71 ? 24.529 27.996 65.897 1.00 31.59  ? 361 ASN E N   1 
ATOM   572 C CA  . ASN A 1 71 ? 25.551 28.511 66.805 1.00 35.49  ? 361 ASN E CA  1 
ATOM   573 C C   . ASN A 1 71 ? 24.963 29.084 68.065 1.00 30.15  ? 361 ASN E C   1 
ATOM   574 O O   . ASN A 1 71 ? 25.691 29.413 68.990 1.00 34.21  ? 361 ASN E O   1 
ATOM   575 C CB  . ASN A 1 71 ? 26.443 29.541 66.117 1.00 39.85  ? 361 ASN E CB  1 
ATOM   576 C CG  . ASN A 1 71 ? 27.162 28.963 64.928 1.00 46.82  ? 361 ASN E CG  1 
ATOM   577 O OD1 . ASN A 1 71 ? 27.328 29.621 63.889 1.00 56.07  ? 361 ASN E OD1 1 
ATOM   578 N ND2 . ASN A 1 71 ? 27.566 27.703 65.049 1.00 49.19  ? 361 ASN E ND2 1 
ATOM   579 N N   . THR A 1 72 ? 23.668 29.368 68.028 1.00 32.73  ? 362 THR E N   1 
ATOM   580 C CA  . THR A 1 72 ? 22.977 29.887 69.196 1.00 32.68  ? 362 THR E CA  1 
ATOM   581 C C   . THR A 1 72 ? 22.736 28.825 70.287 1.00 36.44  ? 362 THR E C   1 
ATOM   582 O O   . THR A 1 72 ? 22.385 29.153 71.430 1.00 39.23  ? 362 THR E O   1 
ATOM   583 C CB  . THR A 1 72 ? 21.669 30.554 68.780 1.00 35.45  ? 362 THR E CB  1 
ATOM   584 O OG1 . THR A 1 72 ? 21.019 29.772 67.765 1.00 33.07  ? 362 THR E OG1 1 
ATOM   585 C CG2 . THR A 1 72 ? 21.948 31.937 68.262 1.00 39.40  ? 362 THR E CG2 1 
ATOM   586 N N   . VAL A 1 73 ? 22.983 27.561 69.940 1.00 33.96  ? 363 VAL E N   1 
ATOM   587 C CA  . VAL A 1 73 ? 22.786 26.435 70.850 1.00 27.70  ? 363 VAL E CA  1 
ATOM   588 C C   . VAL A 1 73 ? 24.122 25.795 71.196 1.00 26.96  ? 363 VAL E C   1 
ATOM   589 O O   . VAL A 1 73 ? 24.957 25.603 70.320 1.00 21.29  ? 363 VAL E O   1 
ATOM   590 C CB  . VAL A 1 73 ? 21.872 25.362 70.192 1.00 26.20  ? 363 VAL E CB  1 
ATOM   591 C CG1 . VAL A 1 73 ? 21.667 24.164 71.126 1.00 21.64  ? 363 VAL E CG1 1 
ATOM   592 C CG2 . VAL A 1 73 ? 20.507 25.979 69.819 1.00 25.13  ? 363 VAL E CG2 1 
ATOM   593 N N   . SER A 1 74 ? 24.308 25.440 72.463 1.00 19.08  ? 364 SER E N   1 
ATOM   594 C CA  . SER A 1 74 ? 25.530 24.797 72.914 1.00 18.85  ? 364 SER E CA  1 
ATOM   595 C C   . SER A 1 74 ? 25.286 23.297 73.087 1.00 20.74  ? 364 SER E C   1 
ATOM   596 O O   . SER A 1 74 ? 24.280 22.869 73.671 1.00 26.18  ? 364 SER E O   1 
ATOM   597 C CB  . SER A 1 74 ? 25.982 25.406 74.229 1.00 24.46  ? 364 SER E CB  1 
ATOM   598 O OG  . SER A 1 74 ? 26.103 26.803 74.066 1.00 43.71  ? 364 SER E OG  1 
ATOM   599 N N   . VAL A 1 75 ? 26.225 22.507 72.591 1.00 12.81  ? 365 VAL E N   1 
ATOM   600 C CA  . VAL A 1 75 ? 26.117 21.067 72.644 1.00 11.90  ? 365 VAL E CA  1 
ATOM   601 C C   . VAL A 1 75 ? 27.120 20.494 73.607 1.00 11.38  ? 365 VAL E C   1 
ATOM   602 O O   . VAL A 1 75 ? 28.283 20.873 73.578 1.00 15.87  ? 365 VAL E O   1 
ATOM   603 C CB  . VAL A 1 75 ? 26.470 20.478 71.285 1.00 12.68  ? 365 VAL E CB  1 
ATOM   604 C CG1 . VAL A 1 75 ? 26.348 18.967 71.299 1.00 10.61  ? 365 VAL E CG1 1 
ATOM   605 C CG2 . VAL A 1 75 ? 25.630 21.118 70.222 1.00 14.99  ? 365 VAL E CG2 1 
ATOM   606 N N   . SER A 1 76 ? 26.661 19.641 74.513 1.00 14.56  ? 366 SER E N   1 
ATOM   607 C CA  . SER A 1 76 ? 27.574 18.960 75.421 1.00 13.01  ? 366 SER E CA  1 
ATOM   608 C C   . SER A 1 76 ? 27.204 17.482 75.417 1.00 12.83  ? 366 SER E C   1 
ATOM   609 O O   . SER A 1 76 ? 26.054 17.126 75.221 1.00 16.24  ? 366 SER E O   1 
ATOM   610 C CB  . SER A 1 76 ? 27.625 19.580 76.811 1.00 5.82   ? 366 SER E CB  1 
ATOM   611 O OG  . SER A 1 76 ? 26.359 19.686 77.404 1.00 18.25  ? 366 SER E OG  1 
ATOM   612 N N   . THR A 1 77 ? 28.187 16.623 75.603 1.00 15.25  ? 367 THR E N   1 
ATOM   613 C CA  . THR A 1 77 ? 27.965 15.196 75.564 1.00 14.08  ? 367 THR E CA  1 
ATOM   614 C C   . THR A 1 77 ? 28.145 14.548 76.934 1.00 15.94  ? 367 THR E C   1 
ATOM   615 O O   . THR A 1 77 ? 28.734 15.125 77.838 1.00 18.16  ? 367 THR E O   1 
ATOM   616 C CB  . THR A 1 77 ? 28.917 14.536 74.521 1.00 23.30  ? 367 THR E CB  1 
ATOM   617 O OG1 . THR A 1 77 ? 30.277 14.889 74.806 1.00 28.26  ? 367 THR E OG1 1 
ATOM   618 C CG2 . THR A 1 77 ? 28.591 14.983 73.105 1.00 19.48  ? 367 THR E CG2 1 
ATOM   619 N N   . GLY A 1 78 ? 27.642 13.334 77.092 1.00 12.89  ? 368 GLY E N   1 
ATOM   620 C CA  . GLY A 1 78 ? 27.782 12.671 78.368 1.00 8.36   ? 368 GLY E CA  1 
ATOM   621 C C   . GLY A 1 78 ? 27.179 11.304 78.252 1.00 15.99  ? 368 GLY E C   1 
ATOM   622 O O   . GLY A 1 78 ? 26.797 10.880 77.142 1.00 21.96  ? 368 GLY E O   1 
ATOM   623 N N   . TYR A 1 79 ? 27.179 10.558 79.358 1.00 19.81  ? 369 TYR E N   1 
ATOM   624 C CA  . TYR A 1 79 ? 26.574 9.233  79.344 1.00 22.23  ? 369 TYR E CA  1 
ATOM   625 C C   . TYR A 1 79 ? 25.848 8.959  80.612 1.00 19.43  ? 369 TYR E C   1 
ATOM   626 O O   . TYR A 1 79 ? 26.155 9.533  81.653 1.00 27.49  ? 369 TYR E O   1 
ATOM   627 C CB  . TYR A 1 79 ? 27.618 8.124  79.127 1.00 36.70  ? 369 TYR E CB  1 
ATOM   628 C CG  . TYR A 1 79 ? 28.438 7.704  80.349 1.00 50.62  ? 369 TYR E CG  1 
ATOM   629 C CD1 . TYR A 1 79 ? 27.836 7.135  81.480 1.00 54.28  ? 369 TYR E CD1 1 
ATOM   630 C CD2 . TYR A 1 79 ? 29.822 7.780  80.336 1.00 61.05  ? 369 TYR E CD2 1 
ATOM   631 C CE1 . TYR A 1 79 ? 28.587 6.668  82.548 1.00 56.09  ? 369 TYR E CE1 1 
ATOM   632 C CE2 . TYR A 1 79 ? 30.575 7.292  81.400 1.00 63.16  ? 369 TYR E CE2 1 
ATOM   633 C CZ  . TYR A 1 79 ? 29.960 6.750  82.494 1.00 61.09  ? 369 TYR E CZ  1 
ATOM   634 O OH  . TYR A 1 79 ? 30.742 6.295  83.533 1.00 68.50  ? 369 TYR E OH  1 
ATOM   635 N N   . MET A 1 80 ? 24.939 8.000  80.529 1.00 13.17  ? 370 MET E N   1 
ATOM   636 C CA  . MET A 1 80 ? 24.201 7.545  81.684 1.00 15.39  ? 370 MET E CA  1 
ATOM   637 C C   . MET A 1 80 ? 24.481 6.070  81.764 1.00 18.56  ? 370 MET E C   1 
ATOM   638 O O   . MET A 1 80 ? 24.526 5.380  80.753 1.00 18.25  ? 370 MET E O   1 
ATOM   639 C CB  . MET A 1 80 ? 22.705 7.753  81.486 1.00 18.29  ? 370 MET E CB  1 
ATOM   640 C CG  . MET A 1 80 ? 22.268 9.179  81.505 1.00 15.54  ? 370 MET E CG  1 
ATOM   641 S SD  . MET A 1 80 ? 22.430 9.818  83.124 1.00 21.90  ? 370 MET E SD  1 
ATOM   642 C CE  . MET A 1 80 ? 21.347 8.752  83.933 1.00 21.06  ? 370 MET E CE  1 
ATOM   643 N N   . THR A 1 81 ? 24.697 5.595  82.975 1.00 23.86  ? 371 THR E N   1 
ATOM   644 C CA  . THR A 1 81 ? 24.914 4.188  83.211 1.00 21.48  ? 371 THR E CA  1 
ATOM   645 C C   . THR A 1 81 ? 23.526 3.550  83.175 1.00 24.65  ? 371 THR E C   1 
ATOM   646 O O   . THR A 1 81 ? 22.531 4.139  83.646 1.00 20.76  ? 371 THR E O   1 
ATOM   647 C CB  . THR A 1 81 ? 25.592 4.000  84.567 1.00 15.91  ? 371 THR E CB  1 
ATOM   648 O OG1 . THR A 1 81 ? 26.895 4.605  84.501 1.00 17.07  ? 371 THR E OG1 1 
ATOM   649 C CG2 . THR A 1 81 ? 25.709 2.550  84.959 1.00 7.00   ? 371 THR E CG2 1 
ATOM   650 N N   . ILE A 1 82 ? 23.447 2.403  82.514 1.00 30.92  ? 372 ILE E N   1 
ATOM   651 C CA  . ILE A 1 82 ? 22.212 1.657  82.398 1.00 34.91  ? 372 ILE E CA  1 
ATOM   652 C C   . ILE A 1 82 ? 21.991 0.863  83.686 1.00 33.38  ? 372 ILE E C   1 
ATOM   653 O O   . ILE A 1 82 ? 20.844 0.891  84.174 1.00 35.20  ? 372 ILE E O   1 
ATOM   654 C CB  . ILE A 1 82 ? 22.233 0.696  81.203 1.00 32.61  ? 372 ILE E CB  1 
ATOM   655 C CG1 . ILE A 1 82 ? 22.490 1.464  79.911 1.00 36.11  ? 372 ILE E CG1 1 
ATOM   656 C CG2 . ILE A 1 82 ? 20.865 0.080  81.034 1.00 38.67  ? 372 ILE E CG2 1 
ATOM   657 C CD1 . ILE A 1 82 ? 22.695 0.579  78.709 1.00 39.48  ? 372 ILE E CD1 1 
ATOM   658 O OXT . ILE A 1 82 ? 22.960 0.258  84.211 1.00 31.75  ? 372 ILE E OXT 1 
HETATM 659 S S   . SO4 B 2 .  ? 8.082  21.623 75.689 1.00 38.66  ? 1   SO4 E S   1 
HETATM 660 O O1  . SO4 B 2 .  ? 7.927  20.196 75.427 1.00 36.18  ? 1   SO4 E O1  1 
HETATM 661 O O2  . SO4 B 2 .  ? 7.675  22.436 74.562 1.00 41.62  ? 1   SO4 E O2  1 
HETATM 662 O O3  . SO4 B 2 .  ? 9.476  21.880 75.938 1.00 46.97  ? 1   SO4 E O3  1 
HETATM 663 O O4  . SO4 B 2 .  ? 7.269  22.000 76.841 1.00 49.11  ? 1   SO4 E O4  1 
HETATM 664 S S   . SO4 C 2 .  ? 19.803 15.042 81.509 1.00 73.42  ? 2   SO4 E S   1 
HETATM 665 O O1  . SO4 C 2 .  ? 20.434 14.490 80.305 1.00 73.42  ? 2   SO4 E O1  1 
HETATM 666 O O2  . SO4 C 2 .  ? 20.691 14.754 82.647 1.00 73.42  ? 2   SO4 E O2  1 
HETATM 667 O O3  . SO4 C 2 .  ? 18.507 14.438 81.719 1.00 73.42  ? 2   SO4 E O3  1 
HETATM 668 O O4  . SO4 C 2 .  ? 19.709 16.492 81.352 1.00 73.42  ? 2   SO4 E O4  1 
HETATM 669 O O   . HOH D 3 .  ? 25.150 21.837 76.465 1.00 34.78  ? 3   HOH E O   1 
HETATM 670 O O   . HOH D 3 .  ? 8.859  29.061 74.219 1.00 25.91  ? 4   HOH E O   1 
HETATM 671 O O   . HOH D 3 .  ? 14.424 29.706 80.596 1.00 44.25  ? 5   HOH E O   1 
HETATM 672 O O   . HOH D 3 .  ? 24.221 23.608 81.987 1.00 34.10  ? 6   HOH E O   1 
HETATM 673 O O   . HOH D 3 .  ? 26.913 1.678  66.519 1.00 35.98  ? 7   HOH E O   1 
HETATM 674 O O   . HOH D 3 .  ? 8.404  19.234 69.106 1.00 51.00  ? 8   HOH E O   1 
HETATM 675 O O   . HOH D 3 .  ? 20.311 30.199 72.091 1.00 47.73  ? 9   HOH E O   1 
HETATM 676 O O   . HOH D 3 .  ? 12.502 27.857 87.896 1.00 63.63  ? 10  HOH E O   1 
HETATM 677 O O   . HOH D 3 .  ? 14.113 8.948  66.990 1.00 44.16  ? 11  HOH E O   1 
HETATM 678 O O   . HOH D 3 .  ? 26.746 24.299 67.800 1.00 31.56  ? 12  HOH E O   1 
HETATM 679 O O   . HOH D 3 .  ? 11.616 11.198 68.537 1.00 46.75  ? 13  HOH E O   1 
HETATM 680 O O   . HOH D 3 .  ? 8.298  10.412 64.065 1.00 62.98  ? 14  HOH E O   1 
HETATM 681 O O   . HOH D 3 .  ? 6.429  23.990 70.948 1.00 33.00  ? 15  HOH E O   1 
HETATM 682 O O   . HOH D 3 .  ? 28.547 23.378 70.914 1.00 37.39  ? 16  HOH E O   1 
HETATM 683 O O   . HOH D 3 .  ? 16.329 26.165 65.606 1.00 35.75  ? 17  HOH E O   1 
HETATM 684 O O   . HOH D 3 .  ? 13.397 34.422 93.367 1.00 54.20  ? 18  HOH E O   1 
HETATM 685 O O   . HOH D 3 .  ? 26.218 2.518  73.779 1.00 52.60  ? 19  HOH E O   1 
HETATM 686 O O   . HOH D 3 .  ? 17.929 7.826  83.063 1.00 32.81  ? 20  HOH E O   1 
HETATM 687 O O   . HOH D 3 .  ? 24.570 19.271 82.404 1.00 25.30  ? 21  HOH E O   1 
HETATM 688 O O   . HOH D 3 .  ? 9.495  25.604 85.292 1.00 44.52  ? 22  HOH E O   1 
HETATM 689 O O   . HOH D 3 .  ? 20.067 33.014 71.073 1.00 26.71  ? 23  HOH E O   1 
HETATM 690 O O   . HOH D 3 .  ? 25.018 25.203 84.372 1.00 49.61  ? 24  HOH E O   1 
HETATM 691 O O   . HOH D 3 .  ? 8.624  16.605 66.428 1.00 39.06  ? 25  HOH E O   1 
HETATM 692 O O   . HOH D 3 .  ? 34.519 6.517  69.054 1.00 66.02  ? 26  HOH E O   1 
HETATM 693 O O   . HOH D 3 .  ? 17.496 2.948  86.690 1.00 46.04  ? 27  HOH E O   1 
HETATM 694 O O   . HOH D 3 .  ? 23.828 28.810 76.647 1.00 56.64  ? 28  HOH E O   1 
HETATM 695 O O   . HOH D 3 .  ? 10.998 5.654  70.881 1.00 66.45  ? 29  HOH E O   1 
HETATM 696 O O   . HOH D 3 .  ? 27.875 6.981  86.649 1.00 19.05  ? 30  HOH E O   1 
HETATM 697 O O   . HOH D 3 .  ? 11.391 10.953 72.409 1.00 18.53  ? 31  HOH E O   1 
HETATM 698 O O   . HOH D 3 .  ? 28.457 6.961  76.169 1.00 20.80  ? 32  HOH E O   1 
HETATM 699 O O   . HOH D 3 .  ? 12.071 34.071 73.353 1.00 42.42  ? 33  HOH E O   1 
HETATM 700 O O   . HOH D 3 .  ? 33.244 12.522 72.681 1.00 43.45  ? 34  HOH E O   1 
HETATM 701 O O   . HOH D 3 .  ? 3.873  31.212 73.916 1.00 53.26  ? 35  HOH E O   1 
HETATM 702 O O   . HOH D 3 .  ? 14.853 38.178 89.340 1.00 86.65  ? 36  HOH E O   1 
HETATM 703 O O   . HOH D 3 .  ? 14.514 1.773  67.286 1.00 60.90  ? 37  HOH E O   1 
HETATM 704 O O   . HOH D 3 .  ? 25.262 -0.952 83.435 1.00 42.41  ? 38  HOH E O   1 
HETATM 705 O O   . HOH D 3 .  ? 23.150 -2.882 80.717 1.00 45.13  ? 39  HOH E O   1 
HETATM 706 O O   . HOH D 3 .  ? 19.918 5.288  79.944 1.00 59.25  ? 40  HOH E O   1 
HETATM 707 O O   . HOH D 3 .  ? 20.221 5.029  82.406 1.00 20.40  ? 41  HOH E O   1 
HETATM 708 O O   . HOH D 3 .  ? 24.791 28.403 80.541 1.00 48.58  ? 42  HOH E O   1 
HETATM 709 O O   . HOH D 3 .  ? 25.785 33.582 68.931 1.00 55.04  ? 43  HOH E O   1 
HETATM 710 O O   . HOH D 3 .  ? 13.680 29.918 83.460 1.00 38.38  ? 44  HOH E O   1 
HETATM 711 O O   . HOH D 3 .  ? 15.622 34.902 90.137 1.00 61.76  ? 45  HOH E O   1 
HETATM 712 O O   . HOH D 3 .  ? 10.883 14.403 66.048 1.00 38.96  ? 46  HOH E O   1 
HETATM 713 O O   . HOH D 3 .  ? 10.085 14.933 69.242 1.00 40.28  ? 47  HOH E O   1 
HETATM 714 O O   . HOH D 3 .  ? 7.882  12.373 60.561 1.00 62.92  ? 48  HOH E O   1 
HETATM 715 O O   . HOH D 3 .  ? 7.823  17.723 74.222 1.00 60.05  ? 49  HOH E O   1 
HETATM 716 O O   . HOH D 3 .  ? 12.000 30.899 67.392 1.00 46.62  ? 50  HOH E O   1 
HETATM 717 O O   . HOH D 3 .  ? 29.854 11.655 70.070 1.00 56.65  ? 51  HOH E O   1 
HETATM 718 O O   . HOH D 3 .  ? 34.729 11.821 69.053 1.00 53.75  ? 52  HOH E O   1 
HETATM 719 O O   . HOH D 3 .  ? 28.225 0.299  77.626 1.00 56.30  ? 53  HOH E O   1 
HETATM 720 O O   . HOH D 3 .  ? 28.759 -4.210 81.116 1.00 61.90  ? 54  HOH E O   1 
HETATM 721 O O   . HOH D 3 .  ? 24.222 1.159  75.804 1.00 46.41  ? 55  HOH E O   1 
HETATM 722 O O   . HOH D 3 .  ? 17.761 33.085 66.448 1.00 53.02  ? 56  HOH E O   1 
HETATM 723 O O   . HOH D 3 .  ? 6.478  17.665 68.967 1.00 65.14  ? 57  HOH E O   1 
HETATM 724 O O   . HOH D 3 .  ? 6.212  15.446 61.993 1.00 30.74  ? 58  HOH E O   1 
HETATM 725 O O   . HOH D 3 .  ? 18.658 0.568  71.943 1.00 37.57  ? 59  HOH E O   1 
HETATM 726 O O   . HOH D 3 .  ? 31.455 13.391 58.042 1.00 41.50  ? 60  HOH E O   1 
HETATM 727 O O   . HOH D 3 .  ? 29.575 10.382 61.521 1.00 40.17  ? 61  HOH E O   1 
HETATM 728 O O   . HOH D 3 .  ? 33.163 11.959 64.620 1.00 65.67  ? 62  HOH E O   1 
HETATM 729 O O   . HOH D 3 .  ? 37.062 8.309  57.728 1.00 63.86  ? 63  HOH E O   1 
HETATM 730 O O   . HOH D 3 .  ? 24.043 29.396 62.472 1.00 35.45  ? 64  HOH E O   1 
HETATM 731 O O   . HOH D 3 .  ? 22.627 4.196  86.502 1.00 23.27  ? 65  HOH E O   1 
HETATM 732 O O   . HOH D 3 .  ? 25.115 25.455 61.828 1.00 63.27  ? 66  HOH E O   1 
HETATM 733 O O   . HOH D 3 .  ? 8.769  36.271 82.931 1.00 58.78  ? 67  HOH E O   1 
HETATM 734 O O   . HOH D 3 .  ? 6.407  21.524 80.921 1.00 67.43  ? 68  HOH E O   1 
HETATM 735 O O   . HOH D 3 .  ? 10.898 22.069 82.586 1.00 51.69  ? 69  HOH E O   1 
HETATM 736 O O   . HOH D 3 .  ? 16.141 -0.766 82.663 1.00 71.44  ? 70  HOH E O   1 
HETATM 737 O O   . HOH D 3 .  ? 18.961 -1.276 88.938 1.00 49.16  ? 71  HOH E O   1 
HETATM 738 O O   . HOH D 3 .  ? 27.348 -1.052 85.999 1.00 67.61  ? 72  HOH E O   1 
HETATM 739 O O   . HOH D 3 .  ? 25.557 19.221 64.223 1.00 47.45  ? 73  HOH E O   1 
HETATM 740 O O   . HOH D 3 .  ? 34.157 7.454  83.325 1.00 54.92  ? 74  HOH E O   1 
HETATM 741 O O   . HOH D 3 .  ? 32.224 0.192  84.129 1.00 50.96  ? 75  HOH E O   1 
HETATM 742 O O   . HOH D 3 .  ? 30.184 1.446  79.387 1.00 35.95  ? 76  HOH E 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  ALA 1  291 291 ALA ALA E . n 
A 1 2  THR 2  292 292 THR THR E . n 
A 1 3  THR 3  293 293 THR THR E . n 
A 1 4  PRO 4  294 294 PRO PRO E . n 
A 1 5  ILE 5  295 295 ILE ILE E . n 
A 1 6  ILE 6  296 296 ILE ILE E . n 
A 1 7  HIS 7  297 297 HIS HIS E . n 
A 1 8  LEU 8  298 298 LEU LEU E . n 
A 1 9  LYS 9  299 299 LYS LYS E . n 
A 1 10 GLY 10 300 300 GLY GLY E . n 
A 1 11 ASP 11 301 301 ASP ASP E . n 
A 1 12 ALA 12 302 302 ALA ALA E . n 
A 1 13 ASN 13 303 303 ASN ASN E . n 
A 1 14 ILE 14 304 304 ILE ILE E . n 
A 1 15 LEU 15 305 305 LEU LEU E . n 
A 1 16 LYS 16 306 306 LYS LYS E . n 
A 1 17 CYS 17 307 307 CYS CYS E . n 
A 1 18 LEU 18 308 308 LEU LEU E . n 
A 1 19 ARG 19 309 309 ARG ARG E . n 
A 1 20 TYR 20 310 310 TYR TYR E . n 
A 1 21 ARG 21 311 311 ARG ARG E . n 
A 1 22 LEU 22 312 312 LEU LEU E . n 
A 1 23 SER 23 313 313 SER SER E . n 
A 1 24 LYS 24 314 314 LYS LYS E . n 
A 1 25 TYR 25 315 315 TYR TYR E . n 
A 1 26 LYS 26 316 316 LYS LYS E . n 
A 1 27 GLN 27 317 317 GLN GLN E . n 
A 1 28 LEU 28 318 318 LEU LEU E . n 
A 1 29 TYR 29 319 319 TYR TYR E . n 
A 1 30 GLU 30 320 320 GLU GLU E . n 
A 1 31 GLN 31 321 321 GLN GLN E . n 
A 1 32 VAL 32 322 322 VAL VAL E . n 
A 1 33 SER 33 323 323 SER SER E . n 
A 1 34 SER 34 324 324 SER SER E . n 
A 1 35 THR 35 325 325 THR THR E . n 
A 1 36 TRP 36 326 326 TRP TRP E . n 
A 1 37 HIS 37 327 327 HIS HIS E . n 
A 1 38 TRP 38 328 328 TRP TRP E . n 
A 1 39 THR 39 329 329 THR THR E . n 
A 1 40 CYS 40 330 330 CYS CYS E . n 
A 1 41 THR 41 331 331 THR THR E . n 
A 1 42 ASP 42 332 332 ASP ASP E . n 
A 1 43 GLY 43 333 333 GLY GLY E . n 
A 1 44 LYS 44 334 334 LYS LYS E . n 
A 1 45 HIS 45 335 335 HIS HIS E . n 
A 1 46 LYS 46 336 336 LYS LYS E . n 
A 1 47 ASN 47 337 337 ASN ASN E . n 
A 1 48 ALA 48 338 338 ALA ALA E . n 
A 1 49 ILE 49 339 339 ILE ILE E . n 
A 1 50 VAL 50 340 340 VAL VAL E . n 
A 1 51 THR 51 341 341 THR THR E . n 
A 1 52 LEU 52 342 342 LEU LEU E . n 
A 1 53 THR 53 343 343 THR THR E . n 
A 1 54 TYR 54 344 344 TYR TYR E . n 
A 1 55 ILE 55 345 345 ILE ILE E . n 
A 1 56 SER 56 346 346 SER SER E . n 
A 1 57 THR 57 347 347 THR THR E . n 
A 1 58 SER 58 348 348 SER SER E . n 
A 1 59 GLN 59 349 349 GLN GLN E . n 
A 1 60 ARG 60 350 350 ARG ARG E . n 
A 1 61 ASP 61 351 351 ASP ASP E . n 
A 1 62 ASP 62 352 352 ASP ASP E . n 
A 1 63 PHE 63 353 353 PHE PHE E . n 
A 1 64 LEU 64 354 354 LEU LEU E . n 
A 1 65 ASN 65 355 355 ASN ASN E . n 
A 1 66 THR 66 356 356 THR THR E . n 
A 1 67 VAL 67 357 357 VAL VAL E . n 
A 1 68 VAL 68 358 358 VAL VAL E . n 
A 1 69 ILE 69 359 359 ILE ILE E . n 
A 1 70 PRO 70 360 360 PRO PRO E . n 
A 1 71 ASN 71 361 361 ASN ASN E . n 
A 1 72 THR 72 362 362 THR THR E . n 
A 1 73 VAL 73 363 363 VAL VAL E . n 
A 1 74 SER 74 364 364 SER SER E . n 
A 1 75 VAL 75 365 365 VAL VAL E . n 
A 1 76 SER 76 366 366 SER SER E . n 
A 1 77 THR 77 367 367 THR THR E . n 
A 1 78 GLY 78 368 368 GLY GLY E . n 
A 1 79 TYR 79 369 369 TYR TYR E . n 
A 1 80 MET 80 370 370 MET MET E . n 
A 1 81 THR 81 371 371 THR THR E . n 
A 1 82 ILE 82 372 372 ILE ILE E . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 SO4 1  1  1  SO4 SO4 E . 
C 2 SO4 1  2  2  SO4 SO4 E . 
D 3 HOH 1  3  3  HOH HOH E . 
D 3 HOH 2  4  4  HOH HOH E . 
D 3 HOH 3  5  5  HOH HOH E . 
D 3 HOH 4  6  6  HOH HOH E . 
D 3 HOH 5  7  7  HOH HOH E . 
D 3 HOH 6  8  8  HOH HOH E . 
D 3 HOH 7  9  9  HOH HOH E . 
D 3 HOH 8  10 10 HOH HOH E . 
D 3 HOH 9  11 11 HOH HOH E . 
D 3 HOH 10 12 12 HOH HOH E . 
D 3 HOH 11 13 13 HOH HOH E . 
D 3 HOH 12 14 14 HOH HOH E . 
D 3 HOH 13 15 15 HOH HOH E . 
D 3 HOH 14 16 16 HOH HOH E . 
D 3 HOH 15 17 17 HOH HOH E . 
D 3 HOH 16 18 18 HOH HOH E . 
D 3 HOH 17 19 19 HOH HOH E . 
D 3 HOH 18 20 20 HOH HOH E . 
D 3 HOH 19 21 21 HOH HOH E . 
D 3 HOH 20 22 22 HOH HOH E . 
D 3 HOH 21 23 23 HOH HOH E . 
D 3 HOH 22 24 24 HOH HOH E . 
D 3 HOH 23 25 25 HOH HOH E . 
D 3 HOH 24 26 26 HOH HOH E . 
D 3 HOH 25 27 27 HOH HOH E . 
D 3 HOH 26 28 28 HOH HOH E . 
D 3 HOH 27 29 29 HOH HOH E . 
D 3 HOH 28 30 30 HOH HOH E . 
D 3 HOH 29 31 31 HOH HOH E . 
D 3 HOH 30 32 32 HOH HOH E . 
D 3 HOH 31 33 33 HOH HOH E . 
D 3 HOH 32 34 34 HOH HOH E . 
D 3 HOH 33 35 35 HOH HOH E . 
D 3 HOH 34 36 36 HOH HOH E . 
D 3 HOH 35 37 37 HOH HOH E . 
D 3 HOH 36 38 38 HOH HOH E . 
D 3 HOH 37 39 39 HOH HOH E . 
D 3 HOH 38 40 40 HOH HOH E . 
D 3 HOH 39 41 41 HOH HOH E . 
D 3 HOH 40 42 42 HOH HOH E . 
D 3 HOH 41 43 43 HOH HOH E . 
D 3 HOH 42 44 44 HOH HOH E . 
D 3 HOH 43 45 45 HOH HOH E . 
D 3 HOH 44 46 46 HOH HOH E . 
D 3 HOH 45 47 47 HOH HOH E . 
D 3 HOH 46 48 48 HOH HOH E . 
D 3 HOH 47 49 49 HOH HOH E . 
D 3 HOH 48 50 50 HOH HOH E . 
D 3 HOH 49 51 51 HOH HOH E . 
D 3 HOH 50 52 52 HOH HOH E . 
D 3 HOH 51 53 53 HOH HOH E . 
D 3 HOH 52 54 54 HOH HOH E . 
D 3 HOH 53 55 55 HOH HOH E . 
D 3 HOH 54 56 56 HOH HOH E . 
D 3 HOH 55 57 57 HOH HOH E . 
D 3 HOH 56 58 58 HOH HOH E . 
D 3 HOH 57 59 59 HOH HOH E . 
D 3 HOH 58 60 60 HOH HOH E . 
D 3 HOH 59 61 61 HOH HOH E . 
D 3 HOH 60 62 62 HOH HOH E . 
D 3 HOH 61 63 63 HOH HOH E . 
D 3 HOH 62 64 64 HOH HOH E . 
D 3 HOH 63 65 65 HOH HOH E . 
D 3 HOH 64 66 66 HOH HOH E . 
D 3 HOH 65 67 67 HOH HOH E . 
D 3 HOH 66 68 68 HOH HOH E . 
D 3 HOH 67 69 69 HOH HOH E . 
D 3 HOH 68 70 70 HOH HOH E . 
D 3 HOH 69 71 71 HOH HOH E . 
D 3 HOH 70 72 72 HOH HOH E . 
D 3 HOH 71 73 73 HOH HOH E . 
D 3 HOH 72 74 74 HOH HOH E . 
D 3 HOH 73 75 75 HOH HOH E . 
D 3 HOH 74 76 76 HOH HOH E . 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA,PQS 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 2650 ? 
1 MORE         -87  ? 
1 'SSA (A^2)'  8630 ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555  x,y,z            1.0000000000 0.0000000000  0.0000000000 0.0000000000  0.0000000000  
1.0000000000  0.0000000000 0.0000000000  0.0000000000 0.0000000000 1.0000000000  0.0000000000   
2 'crystal symmetry operation' 10_665 -y+1,-x+1,-z+5/6 0.5000000000 -0.8660254038 0.0000000000 22.9450000000 -0.8660254038 
-0.5000000000 0.0000000000 39.7419057797 0.0000000000 0.0000000000 -1.0000000000 163.0300000000 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    E 
_pdbx_struct_special_symmetry.auth_comp_id    SO4 
_pdbx_struct_special_symmetry.auth_seq_id     2 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   C 
_pdbx_struct_special_symmetry.label_comp_id   SO4 
_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 1999-04-27 
2 'Structure model' 1 1 2008-03-24 
3 'Structure model' 1 2 2011-07-13 
# 
_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' 'Derived calculations'      
3 3 'Structure model' 'Version format compliance' 
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
X-PLOR    'model building' 3.85 ? 1 
X-PLOR    refinement       3.85 ? 2 
DENZO     'data reduction' .    ? 3 
SCALEPACK 'data scaling'   .    ? 4 
X-PLOR    phasing          3.85 ? 5 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O3 E SO4 2 ? ? 1_555 O4 E SO4 2 ? ? 10_665 0.04 
2 1 O1 E SO4 2 ? ? 1_555 O2 E SO4 2 ? ? 10_665 0.12 
3 1 S  E SO4 2 ? ? 1_555 O4 E SO4 2 ? ? 10_665 1.44 
4 1 S  E SO4 2 ? ? 1_555 O2 E SO4 2 ? ? 10_665 1.46 
5 1 S  E SO4 2 ? ? 1_555 O3 E SO4 2 ? ? 10_665 1.47 
6 1 S  E SO4 2 ? ? 1_555 O1 E SO4 2 ? ? 10_665 1.48 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CA 
_pdbx_validate_rmsd_angle.auth_asym_id_1             E 
_pdbx_validate_rmsd_angle.auth_comp_id_1             LEU 
_pdbx_validate_rmsd_angle.auth_seq_id_1              342 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CB 
_pdbx_validate_rmsd_angle.auth_asym_id_2             E 
_pdbx_validate_rmsd_angle.auth_comp_id_2             LEU 
_pdbx_validate_rmsd_angle.auth_seq_id_2              342 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_3             E 
_pdbx_validate_rmsd_angle.auth_comp_id_3             LEU 
_pdbx_validate_rmsd_angle.auth_seq_id_3              342 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                133.46 
_pdbx_validate_rmsd_angle.angle_target_value         115.30 
_pdbx_validate_rmsd_angle.angle_deviation            18.16 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.30 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 GLU E 320 ? ? -99.77 -62.97 
2 1 HIS E 335 ? ? 66.19  -56.29 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'SULFATE ION' SO4 
3 water         HOH 
# 
