TmMolStar/examples/1crn.cif

data_1CRN
# 
_entry.id   1CRN 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    4.024 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
_database_2.database_id     PDB 
_database_2.database_code   1CRN 
# 
loop_
_database_PDB_rev.num 
_database_PDB_rev.date 
_database_PDB_rev.date_original 
_database_PDB_rev.status 
_database_PDB_rev.replaces 
_database_PDB_rev.mod_type 
1 1981-07-28 1981-04-30 ? 1CRN 0 
2 1981-12-03 ?          ? 1CRN 1 
3 1983-09-30 ?          ? 1CRN 1 
4 1985-03-04 ?          ? 1CRN 1 
5 1987-04-16 ?          ? 1CRN 1 
6 2009-02-24 ?          ? 1CRN 1 
7 2012-07-11 ?          ? 1CRN 1 
# 
loop_
_database_PDB_rev_record.rev_num 
_database_PDB_rev_record.type 
_database_PDB_rev_record.details 
2 SHEET  ? 
3 REVDAT ? 
4 REMARK ? 
5 HEADER ? 
6 VERSN  ? 
7 SCALE1 ? 
7 VERSN  ? 
7 HEADER ? 
# 
_pdbx_database_status.status_code                    REL 
_pdbx_database_status.entry_id                       1CRN 
_pdbx_database_status.deposit_site                   ? 
_pdbx_database_status.process_site                   ? 
_pdbx_database_status.SG_entry                       . 
_pdbx_database_status.status_code_sf                 ? 
_pdbx_database_status.status_code_mr                 ? 
_pdbx_database_status.status_code_cs                 ? 
_pdbx_database_status.methods_development_category   ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Hendrickson, W.A.' 1 
'Teeter, M.M.'      2 
# 
loop_
_citation.id 
_citation.title 
_citation.journal_abbrev 
_citation.journal_volume 
_citation.page_first 
_citation.page_last 
_citation.year 
_citation.journal_id_ASTM 
_citation.country 
_citation.journal_id_ISSN 
_citation.journal_id_CSD 
_citation.book_publisher 
_citation.pdbx_database_id_PubMed 
_citation.pdbx_database_id_DOI 
primary 'Water structure of a hydrophobic protein at atomic resolution: Pentagon rings of water molecules in crystals of crambin.' 
Proc.Natl.Acad.Sci.Usa 81  6014 6018 1984 PNASA6 US 0027-8424 0040 ? 16593516 10.1073/pnas.81.19.6014 
1       'Structure of the Hydrophobic Protein Crambin Determined Directly from the Anomalous Scattering of Sulphur'                
Nature                 290 107  ?    1981 NATUAS UK 0028-0836 0006 ? ?        ?                       
2       'Highly Ordered Crystals of the Plant Seed Protein Crambin'                                                                
J.Mol.Biol.            127 219  ?    1979 JMOBAK UK 0022-2836 0070 ? ?        ?                       
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Teeter, M.M.'      1 
1       'Hendrickson, W.A.' 2 
1       'Teeter, M.M.'      3 
2       'Teeter, M.M.'      4 
2       'Hendrickson, W.A.' 5 
# 
_cell.entry_id           1CRN 
_cell.length_a           40.960 
_cell.length_b           18.650 
_cell.length_c           22.520 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.77 
_cell.angle_gamma        90.00 
_cell.Z_PDB              2 
_cell.pdbx_unique_axis   ? 
_cell.length_a_esd       ? 
_cell.length_b_esd       ? 
_cell.length_c_esd       ? 
_cell.angle_alpha_esd    ? 
_cell.angle_beta_esd     ? 
_cell.angle_gamma_esd    ? 
# 
_symmetry.entry_id                         1CRN 
_symmetry.space_group_name_H-M             'P 1 21 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                ? 
_symmetry.space_group_name_Hall            ? 
# 
_entity.id                         1 
_entity.type                       polymer 
_entity.src_method                 man 
_entity.pdbx_description           CRAMBIN 
_entity.formula_weight             4738.464 
_entity.pdbx_number_of_molecules   1 
_entity.details                    ? 
# 
_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       TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN 
_entity_poly.pdbx_seq_one_letter_code_can   TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN 
_entity_poly.pdbx_strand_id                 A 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  THR n 
1 2  THR n 
1 3  CYS n 
1 4  CYS n 
1 5  PRO n 
1 6  SER n 
1 7  ILE n 
1 8  VAL n 
1 9  ALA n 
1 10 ARG n 
1 11 SER n 
1 12 ASN n 
1 13 PHE n 
1 14 ASN n 
1 15 VAL n 
1 16 CYS n 
1 17 ARG n 
1 18 LEU n 
1 19 PRO n 
1 20 GLY n 
1 21 THR n 
1 22 PRO n 
1 23 GLU n 
1 24 ALA n 
1 25 ILE n 
1 26 CYS n 
1 27 ALA n 
1 28 THR n 
1 29 TYR n 
1 30 THR n 
1 31 GLY n 
1 32 CYS n 
1 33 ILE n 
1 34 ILE n 
1 35 ILE n 
1 36 PRO n 
1 37 GLY n 
1 38 ALA n 
1 39 THR n 
1 40 CYS n 
1 41 PRO n 
1 42 GLY n 
1 43 ASP n 
1 44 TYR n 
1 45 ALA n 
1 46 ASN n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     Crambe 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_entity_src_gen.gene_src_species                   'Crambe hispanica' 
_entity_src_gen.gene_src_strain                    'subsp. abyssinica' 
_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      'Crambe hispanica subsp. abyssinica' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     3721 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      ? 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     ? 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_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.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    CRAM_CRAAB 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_db_accession          P01542 
_struct_ref.pdbx_align_begin           1 
_struct_ref.pdbx_seq_one_letter_code   TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN 
_struct_ref.biol_id                    . 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              1CRN 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 46 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P01542 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  46 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       46 
# 
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 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.120 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.154 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.132 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.174 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.147 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.094  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.210 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.119 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.191 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.174 
GLY 'PEPTIDE LINKING'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.130 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.191 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.104 
# 
_exptl.entry_id          1CRN 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   ? 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      1.81 
_exptl_crystal.density_percent_sol   32.16 
_exptl_crystal.description           ? 
_exptl_crystal.F_000                 ? 
_exptl_crystal.preparation           ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           ? 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_diffrn_protocol             ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   . 
_diffrn_radiation_wavelength.wt           1.0 
# 
_computing.entry_id                           1CRN 
_computing.pdbx_data_reduction_ii             ? 
_computing.pdbx_data_reduction_ds             ? 
_computing.data_collection                    ? 
_computing.structure_solution                 ? 
_computing.structure_refinement               PROLSQ 
_computing.pdbx_structure_refinement_method   ? 
# 
_refine.entry_id                               1CRN 
_refine.ls_number_reflns_obs                   ? 
_refine.ls_number_reflns_all                   ? 
_refine.pdbx_ls_sigma_I                        ? 
_refine.pdbx_ls_sigma_F                        ? 
_refine.pdbx_data_cutoff_high_absF             ? 
_refine.pdbx_data_cutoff_low_absF              ? 
_refine.pdbx_data_cutoff_high_rms_absF         ? 
_refine.ls_d_res_low                           ? 
_refine.ls_d_res_high                          1.5 
_refine.ls_percent_reflns_obs                  ? 
_refine.ls_R_factor_obs                        ? 
_refine.ls_R_factor_all                        ? 
_refine.ls_R_factor_R_work                     ? 
_refine.ls_R_factor_R_free                     ? 
_refine.ls_R_factor_R_free_error               ? 
_refine.ls_R_factor_R_free_error_details       ? 
_refine.ls_percent_reflns_R_free               ? 
_refine.ls_number_reflns_R_free                ? 
_refine.ls_number_parameters                   ? 
_refine.ls_number_restraints                   ? 
_refine.occupancy_min                          ? 
_refine.occupancy_max                          ? 
_refine.B_iso_mean                             ? 
_refine.aniso_B[1][1]                          ? 
_refine.aniso_B[2][2]                          ? 
_refine.aniso_B[3][3]                          ? 
_refine.aniso_B[1][2]                          ? 
_refine.aniso_B[1][3]                          ? 
_refine.aniso_B[2][3]                          ? 
_refine.solvent_model_details                  ? 
_refine.solvent_model_param_ksol               ? 
_refine.solvent_model_param_bsol               ? 
_refine.pdbx_ls_cross_valid_method             ? 
_refine.details                                ? 
_refine.pdbx_starting_model                    ? 
_refine.pdbx_method_to_determine_struct        ? 
_refine.pdbx_isotropic_thermal_model           ? 
_refine.pdbx_stereochemistry_target_values     ? 
_refine.pdbx_stereochem_target_val_spec_case   ? 
_refine.pdbx_R_Free_selection_details          ? 
_refine.pdbx_overall_ESU_R                     ? 
_refine.pdbx_overall_ESU_R_Free                ? 
_refine.overall_SU_ML                          ? 
_refine.overall_SU_B                           ? 
_refine.pdbx_refine_id                         'X-RAY DIFFRACTION' 
_refine.pdbx_diffrn_id                         1 
_refine.ls_redundancy_reflns_obs               ? 
_refine.pdbx_overall_phase_error               ? 
_refine.B_iso_min                              ? 
_refine.B_iso_max                              ? 
_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.overall_SU_R_Cruickshank_DPI           ? 
_refine.overall_SU_R_free                      ? 
_refine.ls_wR_factor_R_free                    ? 
_refine.ls_wR_factor_R_work                    ? 
_refine.overall_FOM_free_R_set                 ? 
_refine.overall_FOM_work_R_set                 ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        327 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             0 
_refine_hist.number_atoms_total               327 
_refine_hist.d_res_high                       1.5 
_refine_hist.d_res_low                        . 
# 
_struct.entry_id                  1CRN 
_struct.title                     
'WATER STRUCTURE OF A HYDROPHOBIC PROTEIN AT ATOMIC RESOLUTION. PENTAGON RINGS OF WATER MOLECULES IN CRYSTALS OF CRAMBIN' 
_struct.pdbx_descriptor           CRAMBIN 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        1CRN 
_struct_keywords.pdbx_keywords   'PLANT PROTEIN' 
_struct_keywords.text            'PLANT SEED PROTEIN, PLANT PROTEIN' 
# 
_struct_asym.id                            A 
_struct_asym.pdbx_blank_PDB_chainid_flag   N 
_struct_asym.pdbx_modified                 N 
_struct_asym.entity_id                     1 
_struct_asym.details                       ? 
# 
_struct_biol.id        1 
_struct_biol.details   ? 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 H1 ILE A 7  ? PRO A 19 ? ILE A 7  PRO A 19 1 '3/10 CONFORMATION RES 17,19' 13 
HELX_P HELX_P2 H2 GLU A 23 ? THR A 30 ? GLU A 23 THR A 30 1 'DISTORTED 3/10 AT RES 30'    8  
TURN_P TURN_P1 T1 PRO A 41 ? TYR A 44 ? PRO A 41 TYR A 44 ? ?                             ?  
# 
loop_
_struct_conf_type.id 
_struct_conf_type.criteria 
_struct_conf_type.reference 
HELX_P ? ? 
TURN_P ? ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
disulf1 disulf ? A CYS 3  SG ? ? ? 1_555 A CYS 40 SG ? ? A CYS 3  A CYS 40 1_555 ? ? ? ? ? ? ? 2.004 ? 
disulf2 disulf ? A CYS 4  SG ? ? ? 1_555 A CYS 32 SG ? ? A CYS 4  A CYS 32 1_555 ? ? ? ? ? ? ? 2.035 ? 
disulf3 disulf ? A CYS 16 SG ? ? ? 1_555 A CYS 26 SG ? ? A CYS 16 A CYS 26 1_555 ? ? ? ? ? ? ? 2.051 ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_struct_sheet.id               S1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   2 
_struct_sheet.details          ? 
# 
_struct_sheet_order.sheet_id     S1 
_struct_sheet_order.range_id_1   1 
_struct_sheet_order.range_id_2   2 
_struct_sheet_order.offset       ? 
_struct_sheet_order.sense        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.symmetry 
_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 
S1 1 THR A 1  ? CYS A 4  ? ? THR A 1  CYS A 4  
S1 2 CYS A 32 ? ILE A 35 ? ? CYS A 32 ILE A 35 
# 
_database_PDB_matrix.entry_id          1CRN 
_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                    1CRN 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.024414 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000328 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.053619 
_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]   0.044409 
_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 
N 
C 
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.Cartn_x_esd 
_atom_site.Cartn_y_esd 
_atom_site.Cartn_z_esd 
_atom_site.occupancy_esd 
_atom_site.B_iso_or_equiv_esd 
_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   . THR A 1 1  ? 17.047 14.099 3.625  1.00 13.79 ? ? ? ? ? ? 1  THR A N   1 
ATOM 2   C CA  . THR A 1 1  ? 16.967 12.784 4.338  1.00 10.80 ? ? ? ? ? ? 1  THR A CA  1 
ATOM 3   C C   . THR A 1 1  ? 15.685 12.755 5.133  1.00 9.19  ? ? ? ? ? ? 1  THR A C   1 
ATOM 4   O O   . THR A 1 1  ? 15.268 13.825 5.594  1.00 9.85  ? ? ? ? ? ? 1  THR A O   1 
ATOM 5   C CB  . THR A 1 1  ? 18.170 12.703 5.337  1.00 13.02 ? ? ? ? ? ? 1  THR A CB  1 
ATOM 6   O OG1 . THR A 1 1  ? 19.334 12.829 4.463  1.00 15.06 ? ? ? ? ? ? 1  THR A OG1 1 
ATOM 7   C CG2 . THR A 1 1  ? 18.150 11.546 6.304  1.00 14.23 ? ? ? ? ? ? 1  THR A CG2 1 
ATOM 8   N N   . THR A 1 2  ? 15.115 11.555 5.265  1.00 7.81  ? ? ? ? ? ? 2  THR A N   1 
ATOM 9   C CA  . THR A 1 2  ? 13.856 11.469 6.066  1.00 8.31  ? ? ? ? ? ? 2  THR A CA  1 
ATOM 10  C C   . THR A 1 2  ? 14.164 10.785 7.379  1.00 5.80  ? ? ? ? ? ? 2  THR A C   1 
ATOM 11  O O   . THR A 1 2  ? 14.993 9.862  7.443  1.00 6.94  ? ? ? ? ? ? 2  THR A O   1 
ATOM 12  C CB  . THR A 1 2  ? 12.732 10.711 5.261  1.00 10.32 ? ? ? ? ? ? 2  THR A CB  1 
ATOM 13  O OG1 . THR A 1 2  ? 13.308 9.439  4.926  1.00 12.81 ? ? ? ? ? ? 2  THR A OG1 1 
ATOM 14  C CG2 . THR A 1 2  ? 12.484 11.442 3.895  1.00 11.90 ? ? ? ? ? ? 2  THR A CG2 1 
ATOM 15  N N   . CYS A 1 3  ? 13.488 11.241 8.417  1.00 5.24  ? ? ? ? ? ? 3  CYS A N   1 
ATOM 16  C CA  . CYS A 1 3  ? 13.660 10.707 9.787  1.00 5.39  ? ? ? ? ? ? 3  CYS A CA  1 
ATOM 17  C C   . CYS A 1 3  ? 12.269 10.431 10.323 1.00 4.45  ? ? ? ? ? ? 3  CYS A C   1 
ATOM 18  O O   . CYS A 1 3  ? 11.393 11.308 10.185 1.00 6.54  ? ? ? ? ? ? 3  CYS A O   1 
ATOM 19  C CB  . CYS A 1 3  ? 14.368 11.748 10.691 1.00 5.99  ? ? ? ? ? ? 3  CYS A CB  1 
ATOM 20  S SG  . CYS A 1 3  ? 15.885 12.426 10.016 1.00 7.01  ? ? ? ? ? ? 3  CYS A SG  1 
ATOM 21  N N   . CYS A 1 4  ? 12.019 9.272  10.928 1.00 3.90  ? ? ? ? ? ? 4  CYS A N   1 
ATOM 22  C CA  . CYS A 1 4  ? 10.646 8.991  11.408 1.00 4.24  ? ? ? ? ? ? 4  CYS A CA  1 
ATOM 23  C C   . CYS A 1 4  ? 10.654 8.793  12.919 1.00 3.72  ? ? ? ? ? ? 4  CYS A C   1 
ATOM 24  O O   . CYS A 1 4  ? 11.659 8.296  13.491 1.00 5.30  ? ? ? ? ? ? 4  CYS A O   1 
ATOM 25  C CB  . CYS A 1 4  ? 10.057 7.752  10.682 1.00 4.41  ? ? ? ? ? ? 4  CYS A CB  1 
ATOM 26  S SG  . CYS A 1 4  ? 9.837  8.018  8.904  1.00 4.72  ? ? ? ? ? ? 4  CYS A SG  1 
ATOM 27  N N   . PRO A 1 5  ? 9.561  9.108  13.563 1.00 3.96  ? ? ? ? ? ? 5  PRO A N   1 
ATOM 28  C CA  . PRO A 1 5  ? 9.448  9.034  15.012 1.00 4.25  ? ? ? ? ? ? 5  PRO A CA  1 
ATOM 29  C C   . PRO A 1 5  ? 9.288  7.670  15.606 1.00 4.96  ? ? ? ? ? ? 5  PRO A C   1 
ATOM 30  O O   . PRO A 1 5  ? 9.490  7.519  16.819 1.00 7.44  ? ? ? ? ? ? 5  PRO A O   1 
ATOM 31  C CB  . PRO A 1 5  ? 8.230  9.957  15.345 1.00 5.11  ? ? ? ? ? ? 5  PRO A CB  1 
ATOM 32  C CG  . PRO A 1 5  ? 7.338  9.786  14.114 1.00 5.24  ? ? ? ? ? ? 5  PRO A CG  1 
ATOM 33  C CD  . PRO A 1 5  ? 8.366  9.804  12.958 1.00 5.20  ? ? ? ? ? ? 5  PRO A CD  1 
ATOM 34  N N   . SER A 1 6  ? 8.875  6.686  14.796 1.00 4.83  ? ? ? ? ? ? 6  SER A N   1 
ATOM 35  C CA  . SER A 1 6  ? 8.673  5.314  15.279 1.00 4.45  ? ? ? ? ? ? 6  SER A CA  1 
ATOM 36  C C   . SER A 1 6  ? 8.753  4.376  14.083 1.00 4.99  ? ? ? ? ? ? 6  SER A C   1 
ATOM 37  O O   . SER A 1 6  ? 8.726  4.858  12.923 1.00 4.61  ? ? ? ? ? ? 6  SER A O   1 
ATOM 38  C CB  . SER A 1 6  ? 7.340  5.121  15.996 1.00 5.05  ? ? ? ? ? ? 6  SER A CB  1 
ATOM 39  O OG  . SER A 1 6  ? 6.274  5.220  15.031 1.00 6.39  ? ? ? ? ? ? 6  SER A OG  1 
ATOM 40  N N   . ILE A 1 7  ? 8.881  3.075  14.358 1.00 4.94  ? ? ? ? ? ? 7  ILE A N   1 
ATOM 41  C CA  . ILE A 1 7  ? 8.912  2.083  13.258 1.00 6.33  ? ? ? ? ? ? 7  ILE A CA  1 
ATOM 42  C C   . ILE A 1 7  ? 7.581  2.090  12.506 1.00 5.32  ? ? ? ? ? ? 7  ILE A C   1 
ATOM 43  O O   . ILE A 1 7  ? 7.670  2.031  11.245 1.00 6.85  ? ? ? ? ? ? 7  ILE A O   1 
ATOM 44  C CB  . ILE A 1 7  ? 9.207  0.677  13.924 1.00 8.43  ? ? ? ? ? ? 7  ILE A CB  1 
ATOM 45  C CG1 . ILE A 1 7  ? 10.714 0.702  14.312 1.00 9.78  ? ? ? ? ? ? 7  ILE A CG1 1 
ATOM 46  C CG2 . ILE A 1 7  ? 8.811  -0.477 12.969 1.00 11.70 ? ? ? ? ? ? 7  ILE A CG2 1 
ATOM 47  C CD1 . ILE A 1 7  ? 11.185 -0.516 15.142 1.00 9.92  ? ? ? ? ? ? 7  ILE A CD1 1 
ATOM 48  N N   . VAL A 1 8  ? 6.458  2.162  13.159 1.00 5.02  ? ? ? ? ? ? 8  VAL A N   1 
ATOM 49  C CA  . VAL A 1 8  ? 5.145  2.209  12.453 1.00 6.93  ? ? ? ? ? ? 8  VAL A CA  1 
ATOM 50  C C   . VAL A 1 8  ? 5.115  3.379  11.461 1.00 5.39  ? ? ? ? ? ? 8  VAL A C   1 
ATOM 51  O O   . VAL A 1 8  ? 4.664  3.268  10.343 1.00 6.30  ? ? ? ? ? ? 8  VAL A O   1 
ATOM 52  C CB  . VAL A 1 8  ? 3.995  2.354  13.478 1.00 9.64  ? ? ? ? ? ? 8  VAL A CB  1 
ATOM 53  C CG1 . VAL A 1 8  ? 2.716  2.891  12.869 1.00 13.85 ? ? ? ? ? ? 8  VAL A CG1 1 
ATOM 54  C CG2 . VAL A 1 8  ? 3.758  1.032  14.208 1.00 11.97 ? ? ? ? ? ? 8  VAL A CG2 1 
ATOM 55  N N   . ALA A 1 9  ? 5.606  4.546  11.941 1.00 3.73  ? ? ? ? ? ? 9  ALA A N   1 
ATOM 56  C CA  . ALA A 1 9  ? 5.598  5.767  11.082 1.00 3.56  ? ? ? ? ? ? 9  ALA A CA  1 
ATOM 57  C C   . ALA A 1 9  ? 6.441  5.527  9.850  1.00 4.13  ? ? ? ? ? ? 9  ALA A C   1 
ATOM 58  O O   . ALA A 1 9  ? 6.052  5.933  8.744  1.00 4.36  ? ? ? ? ? ? 9  ALA A O   1 
ATOM 59  C CB  . ALA A 1 9  ? 6.022  6.977  11.891 1.00 4.80  ? ? ? ? ? ? 9  ALA A CB  1 
ATOM 60  N N   . ARG A 1 10 ? 7.647  4.909  10.005 1.00 3.73  ? ? ? ? ? ? 10 ARG A N   1 
ATOM 61  C CA  . ARG A 1 10 ? 8.496  4.609  8.837  1.00 3.38  ? ? ? ? ? ? 10 ARG A CA  1 
ATOM 62  C C   . ARG A 1 10 ? 7.798  3.609  7.876  1.00 3.47  ? ? ? ? ? ? 10 ARG A C   1 
ATOM 63  O O   . ARG A 1 10 ? 7.878  3.778  6.651  1.00 4.67  ? ? ? ? ? ? 10 ARG A O   1 
ATOM 64  C CB  . ARG A 1 10 ? 9.847  4.020  9.305  1.00 3.95  ? ? ? ? ? ? 10 ARG A CB  1 
ATOM 65  C CG  . ARG A 1 10 ? 10.752 3.607  8.149  1.00 4.55  ? ? ? ? ? ? 10 ARG A CG  1 
ATOM 66  C CD  . ARG A 1 10 ? 11.226 4.699  7.244  1.00 5.89  ? ? ? ? ? ? 10 ARG A CD  1 
ATOM 67  N NE  . ARG A 1 10 ? 12.143 5.571  8.035  1.00 6.20  ? ? ? ? ? ? 10 ARG A NE  1 
ATOM 68  C CZ  . ARG A 1 10 ? 12.758 6.609  7.443  1.00 7.52  ? ? ? ? ? ? 10 ARG A CZ  1 
ATOM 69  N NH1 . ARG A 1 10 ? 12.539 6.932  6.158  1.00 10.68 ? ? ? ? ? ? 10 ARG A NH1 1 
ATOM 70  N NH2 . ARG A 1 10 ? 13.601 7.322  8.202  1.00 9.48  ? ? ? ? ? ? 10 ARG A NH2 1 
ATOM 71  N N   . SER A 1 11 ? 7.186  2.582  8.445  1.00 5.19  ? ? ? ? ? ? 11 SER A N   1 
ATOM 72  C CA  . SER A 1 11 ? 6.500  1.584  7.565  1.00 4.60  ? ? ? ? ? ? 11 SER A CA  1 
ATOM 73  C C   . SER A 1 11 ? 5.382  2.313  6.773  1.00 4.84  ? ? ? ? ? ? 11 SER A C   1 
ATOM 74  O O   . SER A 1 11 ? 5.213  2.016  5.557  1.00 5.84  ? ? ? ? ? ? 11 SER A O   1 
ATOM 75  C CB  . SER A 1 11 ? 5.908  0.462  8.400  1.00 5.91  ? ? ? ? ? ? 11 SER A CB  1 
ATOM 76  O OG  . SER A 1 11 ? 6.990  -0.272 9.012  1.00 8.38  ? ? ? ? ? ? 11 SER A OG  1 
ATOM 77  N N   . ASN A 1 12 ? 4.648  3.182  7.446  1.00 3.54  ? ? ? ? ? ? 12 ASN A N   1 
ATOM 78  C CA  . ASN A 1 12 ? 3.545  3.935  6.751  1.00 4.57  ? ? ? ? ? ? 12 ASN A CA  1 
ATOM 79  C C   . ASN A 1 12 ? 4.107  4.851  5.691  1.00 4.14  ? ? ? ? ? ? 12 ASN A C   1 
ATOM 80  O O   . ASN A 1 12 ? 3.536  5.001  4.617  1.00 5.52  ? ? ? ? ? ? 12 ASN A O   1 
ATOM 81  C CB  . ASN A 1 12 ? 2.663  4.677  7.748  1.00 6.42  ? ? ? ? ? ? 12 ASN A CB  1 
ATOM 82  C CG  . ASN A 1 12 ? 1.802  3.735  8.610  1.00 8.25  ? ? ? ? ? ? 12 ASN A CG  1 
ATOM 83  O OD1 . ASN A 1 12 ? 1.567  2.613  8.165  1.00 12.72 ? ? ? ? ? ? 12 ASN A OD1 1 
ATOM 84  N ND2 . ASN A 1 12 ? 1.394  4.252  9.767  1.00 9.92  ? ? ? ? ? ? 12 ASN A ND2 1 
ATOM 85  N N   . PHE A 1 13 ? 5.259  5.498  6.005  1.00 3.43  ? ? ? ? ? ? 13 PHE A N   1 
ATOM 86  C CA  . PHE A 1 13 ? 5.929  6.358  5.055  1.00 3.49  ? ? ? ? ? ? 13 PHE A CA  1 
ATOM 87  C C   . PHE A 1 13 ? 6.304  5.578  3.799  1.00 3.40  ? ? ? ? ? ? 13 PHE A C   1 
ATOM 88  O O   . PHE A 1 13 ? 6.136  6.072  2.653  1.00 4.07  ? ? ? ? ? ? 13 PHE A O   1 
ATOM 89  C CB  . PHE A 1 13 ? 7.183  6.994  5.754  1.00 5.48  ? ? ? ? ? ? 13 PHE A CB  1 
ATOM 90  C CG  . PHE A 1 13 ? 7.884  8.006  4.883  1.00 5.57  ? ? ? ? ? ? 13 PHE A CG  1 
ATOM 91  C CD1 . PHE A 1 13 ? 8.906  7.586  4.027  1.00 6.99  ? ? ? ? ? ? 13 PHE A CD1 1 
ATOM 92  C CD2 . PHE A 1 13 ? 7.532  9.373  4.983  1.00 6.52  ? ? ? ? ? ? 13 PHE A CD2 1 
ATOM 93  C CE1 . PHE A 1 13 ? 9.560  8.539  3.194  1.00 8.20  ? ? ? ? ? ? 13 PHE A CE1 1 
ATOM 94  C CE2 . PHE A 1 13 ? 8.176  10.281 4.145  1.00 6.34  ? ? ? ? ? ? 13 PHE A CE2 1 
ATOM 95  C CZ  . PHE A 1 13 ? 9.141  9.845  3.292  1.00 6.84  ? ? ? ? ? ? 13 PHE A CZ  1 
ATOM 96  N N   . ASN A 1 14 ? 6.900  4.390  3.989  1.00 3.64  ? ? ? ? ? ? 14 ASN A N   1 
ATOM 97  C CA  . ASN A 1 14 ? 7.331  3.607  2.791  1.00 4.31  ? ? ? ? ? ? 14 ASN A CA  1 
ATOM 98  C C   . ASN A 1 14 ? 6.116  3.210  1.915  1.00 3.98  ? ? ? ? ? ? 14 ASN A C   1 
ATOM 99  O O   . ASN A 1 14 ? 6.240  3.144  0.684  1.00 6.22  ? ? ? ? ? ? 14 ASN A O   1 
ATOM 100 C CB  . ASN A 1 14 ? 8.145  2.404  3.240  1.00 5.81  ? ? ? ? ? ? 14 ASN A CB  1 
ATOM 101 C CG  . ASN A 1 14 ? 9.555  2.856  3.730  1.00 6.82  ? ? ? ? ? ? 14 ASN A CG  1 
ATOM 102 O OD1 . ASN A 1 14 ? 10.013 3.895  3.323  1.00 9.43  ? ? ? ? ? ? 14 ASN A OD1 1 
ATOM 103 N ND2 . ASN A 1 14 ? 10.120 1.956  4.539  1.00 8.21  ? ? ? ? ? ? 14 ASN A ND2 1 
ATOM 104 N N   . VAL A 1 15 ? 4.993  2.927  2.571  1.00 3.76  ? ? ? ? ? ? 15 VAL A N   1 
ATOM 105 C CA  . VAL A 1 15 ? 3.782  2.599  1.742  1.00 3.98  ? ? ? ? ? ? 15 VAL A CA  1 
ATOM 106 C C   . VAL A 1 15 ? 3.296  3.871  1.004  1.00 3.80  ? ? ? ? ? ? 15 VAL A C   1 
ATOM 107 O O   . VAL A 1 15 ? 2.947  3.817  -0.189 1.00 4.85  ? ? ? ? ? ? 15 VAL A O   1 
ATOM 108 C CB  . VAL A 1 15 ? 2.698  1.953  2.608  1.00 4.71  ? ? ? ? ? ? 15 VAL A CB  1 
ATOM 109 C CG1 . VAL A 1 15 ? 1.384  1.826  1.806  1.00 6.67  ? ? ? ? ? ? 15 VAL A CG1 1 
ATOM 110 C CG2 . VAL A 1 15 ? 3.174  0.533  3.005  1.00 6.26  ? ? ? ? ? ? 15 VAL A CG2 1 
ATOM 111 N N   . CYS A 1 16 ? 3.321  4.987  1.720  1.00 3.79  ? ? ? ? ? ? 16 CYS A N   1 
ATOM 112 C CA  . CYS A 1 16 ? 2.890  6.285  1.126  1.00 3.54  ? ? ? ? ? ? 16 CYS A CA  1 
ATOM 113 C C   . CYS A 1 16 ? 3.687  6.597  -0.111 1.00 3.48  ? ? ? ? ? ? 16 CYS A C   1 
ATOM 114 O O   . CYS A 1 16 ? 3.200  7.147  -1.103 1.00 4.63  ? ? ? ? ? ? 16 CYS A O   1 
ATOM 115 C CB  . CYS A 1 16 ? 3.039  7.369  2.240  1.00 4.58  ? ? ? ? ? ? 16 CYS A CB  1 
ATOM 116 S SG  . CYS A 1 16 ? 2.559  9.014  1.649  1.00 5.66  ? ? ? ? ? ? 16 CYS A SG  1 
ATOM 117 N N   . ARG A 1 17 ? 4.997  6.227  -0.100 1.00 3.99  ? ? ? ? ? ? 17 ARG A N   1 
ATOM 118 C CA  . ARG A 1 17 ? 5.895  6.489  -1.213 1.00 3.83  ? ? ? ? ? ? 17 ARG A CA  1 
ATOM 119 C C   . ARG A 1 17 ? 5.738  5.560  -2.409 1.00 3.79  ? ? ? ? ? ? 17 ARG A C   1 
ATOM 120 O O   . ARG A 1 17 ? 6.228  5.901  -3.507 1.00 5.39  ? ? ? ? ? ? 17 ARG A O   1 
ATOM 121 C CB  . ARG A 1 17 ? 7.370  6.507  -0.731 1.00 4.11  ? ? ? ? ? ? 17 ARG A CB  1 
ATOM 122 C CG  . ARG A 1 17 ? 7.717  7.687  0.206  1.00 4.69  ? ? ? ? ? ? 17 ARG A CG  1 
ATOM 123 C CD  . ARG A 1 17 ? 7.949  8.947  -0.615 1.00 5.10  ? ? ? ? ? ? 17 ARG A CD  1 
ATOM 124 N NE  . ARG A 1 17 ? 9.212  8.856  -1.337 1.00 4.71  ? ? ? ? ? ? 17 ARG A NE  1 
ATOM 125 C CZ  . ARG A 1 17 ? 9.537  9.533  -2.431 1.00 5.28  ? ? ? ? ? ? 17 ARG A CZ  1 
ATOM 126 N NH1 . ARG A 1 17 ? 8.659  10.350 -3.032 1.00 6.67  ? ? ? ? ? ? 17 ARG A NH1 1 
ATOM 127 N NH2 . ARG A 1 17 ? 10.793 9.491  -2.899 1.00 6.41  ? ? ? ? ? ? 17 ARG A NH2 1 
ATOM 128 N N   . LEU A 1 18 ? 5.051  4.411  -2.204 1.00 4.70  ? ? ? ? ? ? 18 LEU A N   1 
ATOM 129 C CA  . LEU A 1 18 ? 4.933  3.431  -3.326 1.00 5.46  ? ? ? ? ? ? 18 LEU A CA  1 
ATOM 130 C C   . LEU A 1 18 ? 4.397  4.014  -4.620 1.00 5.13  ? ? ? ? ? ? 18 LEU A C   1 
ATOM 131 O O   . LEU A 1 18 ? 4.988  3.755  -5.687 1.00 5.55  ? ? ? ? ? ? 18 LEU A O   1 
ATOM 132 C CB  . LEU A 1 18 ? 4.196  2.184  -2.863 1.00 6.47  ? ? ? ? ? ? 18 LEU A CB  1 
ATOM 133 C CG  . LEU A 1 18 ? 4.960  1.178  -1.991 1.00 7.43  ? ? ? ? ? ? 18 LEU A CG  1 
ATOM 134 C CD1 . LEU A 1 18 ? 3.907  0.097  -1.634 1.00 8.70  ? ? ? ? ? ? 18 LEU A CD1 1 
ATOM 135 C CD2 . LEU A 1 18 ? 6.129  0.606  -2.768 1.00 9.39  ? ? ? ? ? ? 18 LEU A CD2 1 
ATOM 136 N N   . PRO A 1 19 ? 3.329  4.795  -4.543 1.00 4.28  ? ? ? ? ? ? 19 PRO A N   1 
ATOM 137 C CA  . PRO A 1 19 ? 2.792  5.376  -5.797 1.00 5.38  ? ? ? ? ? ? 19 PRO A CA  1 
ATOM 138 C C   . PRO A 1 19 ? 3.573  6.540  -6.322 1.00 6.30  ? ? ? ? ? ? 19 PRO A C   1 
ATOM 139 O O   . PRO A 1 19 ? 3.260  7.045  -7.422 1.00 9.62  ? ? ? ? ? ? 19 PRO A O   1 
ATOM 140 C CB  . PRO A 1 19 ? 1.358  5.766  -5.472 1.00 5.87  ? ? ? ? ? ? 19 PRO A CB  1 
ATOM 141 C CG  . PRO A 1 19 ? 1.223  5.694  -3.993 1.00 6.47  ? ? ? ? ? ? 19 PRO A CG  1 
ATOM 142 C CD  . PRO A 1 19 ? 2.421  4.941  -3.408 1.00 6.45  ? ? ? ? ? ? 19 PRO A CD  1 
ATOM 143 N N   . GLY A 1 20 ? 4.565  7.047  -5.559 1.00 4.94  ? ? ? ? ? ? 20 GLY A N   1 
ATOM 144 C CA  . GLY A 1 20 ? 5.366  8.191  -6.018 1.00 5.39  ? ? ? ? ? ? 20 GLY A CA  1 
ATOM 145 C C   . GLY A 1 20 ? 5.007  9.481  -5.280 1.00 5.03  ? ? ? ? ? ? 20 GLY A C   1 
ATOM 146 O O   . GLY A 1 20 ? 5.535  10.510 -5.730 1.00 7.34  ? ? ? ? ? ? 20 GLY A O   1 
ATOM 147 N N   . THR A 1 21 ? 4.181  9.438  -4.262 1.00 4.10  ? ? ? ? ? ? 21 THR A N   1 
ATOM 148 C CA  . THR A 1 21 ? 3.767  10.609 -3.513 1.00 3.94  ? ? ? ? ? ? 21 THR A CA  1 
ATOM 149 C C   . THR A 1 21 ? 5.017  11.397 -3.042 1.00 3.96  ? ? ? ? ? ? 21 THR A C   1 
ATOM 150 O O   . THR A 1 21 ? 5.947  10.757 -2.523 1.00 5.82  ? ? ? ? ? ? 21 THR A O   1 
ATOM 151 C CB  . THR A 1 21 ? 2.992  10.188 -2.225 1.00 4.13  ? ? ? ? ? ? 21 THR A CB  1 
ATOM 152 O OG1 . THR A 1 21 ? 2.051  9.144  -2.623 1.00 5.45  ? ? ? ? ? ? 21 THR A OG1 1 
ATOM 153 C CG2 . THR A 1 21 ? 2.260  11.349 -1.551 1.00 5.41  ? ? ? ? ? ? 21 THR A CG2 1 
ATOM 154 N N   . PRO A 1 22 ? 4.971  12.703 -3.176 1.00 5.04  ? ? ? ? ? ? 22 PRO A N   1 
ATOM 155 C CA  . PRO A 1 22 ? 6.143  13.513 -2.696 1.00 4.69  ? ? ? ? ? ? 22 PRO A CA  1 
ATOM 156 C C   . PRO A 1 22 ? 6.400  13.233 -1.225 1.00 4.19  ? ? ? ? ? ? 22 PRO A C   1 
ATOM 157 O O   . PRO A 1 22 ? 5.485  13.061 -0.382 1.00 4.47  ? ? ? ? ? ? 22 PRO A O   1 
ATOM 158 C CB  . PRO A 1 22 ? 5.703  14.969 -2.920 1.00 7.12  ? ? ? ? ? ? 22 PRO A CB  1 
ATOM 159 C CG  . PRO A 1 22 ? 4.676  14.893 -3.996 1.00 7.03  ? ? ? ? ? ? 22 PRO A CG  1 
ATOM 160 C CD  . PRO A 1 22 ? 3.964  13.567 -3.811 1.00 4.90  ? ? ? ? ? ? 22 PRO A CD  1 
ATOM 161 N N   . GLU A 1 23 ? 7.728  13.297 -0.921 1.00 5.16  ? ? ? ? ? ? 23 GLU A N   1 
ATOM 162 C CA  . GLU A 1 23 ? 8.114  13.103 0.500  1.00 5.31  ? ? ? ? ? ? 23 GLU A CA  1 
ATOM 163 C C   . GLU A 1 23 ? 7.427  14.073 1.410  1.00 4.11  ? ? ? ? ? ? 23 GLU A C   1 
ATOM 164 O O   . GLU A 1 23 ? 7.036  13.682 2.540  1.00 5.11  ? ? ? ? ? ? 23 GLU A O   1 
ATOM 165 C CB  . GLU A 1 23 ? 9.648  13.285 0.660  1.00 6.16  ? ? ? ? ? ? 23 GLU A CB  1 
ATOM 166 C CG  . GLU A 1 23 ? 10.440 12.093 0.063  1.00 7.48  ? ? ? ? ? ? 23 GLU A CG  1 
ATOM 167 C CD  . GLU A 1 23 ? 11.941 12.170 0.391  1.00 9.40  ? ? ? ? ? ? 23 GLU A CD  1 
ATOM 168 O OE1 . GLU A 1 23 ? 12.416 13.225 0.681  1.00 10.40 ? ? ? ? ? ? 23 GLU A OE1 1 
ATOM 169 O OE2 . GLU A 1 23 ? 12.539 11.070 0.292  1.00 13.32 ? ? ? ? ? ? 23 GLU A OE2 1 
ATOM 170 N N   . ALA A 1 24 ? 7.212  15.334 0.966  1.00 4.56  ? ? ? ? ? ? 24 ALA A N   1 
ATOM 171 C CA  . ALA A 1 24 ? 6.614  16.317 1.913  1.00 4.49  ? ? ? ? ? ? 24 ALA A CA  1 
ATOM 172 C C   . ALA A 1 24 ? 5.212  15.936 2.350  1.00 4.10  ? ? ? ? ? ? 24 ALA A C   1 
ATOM 173 O O   . ALA A 1 24 ? 4.782  16.166 3.495  1.00 5.64  ? ? ? ? ? ? 24 ALA A O   1 
ATOM 174 C CB  . ALA A 1 24 ? 6.605  17.695 1.246  1.00 5.80  ? ? ? ? ? ? 24 ALA A CB  1 
ATOM 175 N N   . ILE A 1 25 ? 4.445  15.318 1.405  1.00 4.37  ? ? ? ? ? ? 25 ILE A N   1 
ATOM 176 C CA  . ILE A 1 25 ? 3.074  14.894 1.756  1.00 5.44  ? ? ? ? ? ? 25 ILE A CA  1 
ATOM 177 C C   . ILE A 1 25 ? 3.085  13.643 2.645  1.00 4.32  ? ? ? ? ? ? 25 ILE A C   1 
ATOM 178 O O   . ILE A 1 25 ? 2.315  13.523 3.578  1.00 4.72  ? ? ? ? ? ? 25 ILE A O   1 
ATOM 179 C CB  . ILE A 1 25 ? 2.204  14.637 0.462  1.00 6.42  ? ? ? ? ? ? 25 ILE A CB  1 
ATOM 180 C CG1 . ILE A 1 25 ? 1.815  16.048 -0.129 1.00 7.50  ? ? ? ? ? ? 25 ILE A CG1 1 
ATOM 181 C CG2 . ILE A 1 25 ? 0.903  13.864 0.811  1.00 7.65  ? ? ? ? ? ? 25 ILE A CG2 1 
ATOM 182 C CD1 . ILE A 1 25 ? 0.756  16.761 0.757  1.00 7.80  ? ? ? ? ? ? 25 ILE A CD1 1 
ATOM 183 N N   . CYS A 1 26 ? 4.032  12.764 2.313  1.00 3.92  ? ? ? ? ? ? 26 CYS A N   1 
ATOM 184 C CA  . CYS A 1 26 ? 4.180  11.549 3.187  1.00 4.37  ? ? ? ? ? ? 26 CYS A CA  1 
ATOM 185 C C   . CYS A 1 26 ? 4.632  11.944 4.596  1.00 3.95  ? ? ? ? ? ? 26 CYS A C   1 
ATOM 186 O O   . CYS A 1 26 ? 4.227  11.252 5.547  1.00 4.74  ? ? ? ? ? ? 26 CYS A O   1 
ATOM 187 C CB  . CYS A 1 26 ? 5.038  10.518 2.539  1.00 4.63  ? ? ? ? ? ? 26 CYS A CB  1 
ATOM 188 S SG  . CYS A 1 26 ? 4.349  9.794  1.022  1.00 5.61  ? ? ? ? ? ? 26 CYS A SG  1 
ATOM 189 N N   . ALA A 1 27 ? 5.408  13.012 4.694  1.00 3.89  ? ? ? ? ? ? 27 ALA A N   1 
ATOM 190 C CA  . ALA A 1 27 ? 5.879  13.502 6.026  1.00 4.43  ? ? ? ? ? ? 27 ALA A CA  1 
ATOM 191 C C   . ALA A 1 27 ? 4.696  13.908 6.882  1.00 4.26  ? ? ? ? ? ? 27 ALA A C   1 
ATOM 192 O O   . ALA A 1 27 ? 4.528  13.422 8.025  1.00 5.44  ? ? ? ? ? ? 27 ALA A O   1 
ATOM 193 C CB  . ALA A 1 27 ? 6.880  14.615 5.830  1.00 5.36  ? ? ? ? ? ? 27 ALA A CB  1 
ATOM 194 N N   . THR A 1 28 ? 3.827  14.802 6.358  1.00 4.53  ? ? ? ? ? ? 28 THR A N   1 
ATOM 195 C CA  . THR A 1 28 ? 2.691  15.221 7.194  1.00 5.08  ? ? ? ? ? ? 28 THR A CA  1 
ATOM 196 C C   . THR A 1 28 ? 1.672  14.132 7.434  1.00 4.62  ? ? ? ? ? ? 28 THR A C   1 
ATOM 197 O O   . THR A 1 28 ? 0.947  14.112 8.468  1.00 7.80  ? ? ? ? ? ? 28 THR A O   1 
ATOM 198 C CB  . THR A 1 28 ? 1.986  16.520 6.614  1.00 6.03  ? ? ? ? ? ? 28 THR A CB  1 
ATOM 199 O OG1 . THR A 1 28 ? 1.664  16.221 5.230  1.00 7.19  ? ? ? ? ? ? 28 THR A OG1 1 
ATOM 200 C CG2 . THR A 1 28 ? 2.914  17.739 6.700  1.00 7.34  ? ? ? ? ? ? 28 THR A CG2 1 
ATOM 201 N N   . TYR A 1 29 ? 1.621  13.190 6.511  1.00 5.01  ? ? ? ? ? ? 29 TYR A N   1 
ATOM 202 C CA  . TYR A 1 29 ? 0.715  12.045 6.657  1.00 6.60  ? ? ? ? ? ? 29 TYR A CA  1 
ATOM 203 C C   . TYR A 1 29 ? 1.125  11.125 7.815  1.00 4.92  ? ? ? ? ? ? 29 TYR A C   1 
ATOM 204 O O   . TYR A 1 29 ? 0.286  10.632 8.545  1.00 7.13  ? ? ? ? ? ? 29 TYR A O   1 
ATOM 205 C CB  . TYR A 1 29 ? 0.755  11.229 5.322  1.00 9.66  ? ? ? ? ? ? 29 TYR A CB  1 
ATOM 206 C CG  . TYR A 1 29 ? -0.203 10.044 5.354  1.00 11.56 ? ? ? ? ? ? 29 TYR A CG  1 
ATOM 207 C CD1 . TYR A 1 29 ? -1.547 10.337 5.645  1.00 12.85 ? ? ? ? ? ? 29 TYR A CD1 1 
ATOM 208 C CD2 . TYR A 1 29 ? 0.193  8.750  5.100  1.00 14.44 ? ? ? ? ? ? 29 TYR A CD2 1 
ATOM 209 C CE1 . TYR A 1 29 ? -2.496 9.329  5.673  1.00 16.61 ? ? ? ? ? ? 29 TYR A CE1 1 
ATOM 210 C CE2 . TYR A 1 29 ? -0.801 7.705  5.156  1.00 17.11 ? ? ? ? ? ? 29 TYR A CE2 1 
ATOM 211 C CZ  . TYR A 1 29 ? -2.079 8.031  5.430  1.00 19.99 ? ? ? ? ? ? 29 TYR A CZ  1 
ATOM 212 O OH  . TYR A 1 29 ? -3.097 7.057  5.458  1.00 28.98 ? ? ? ? ? ? 29 TYR A OH  1 
ATOM 213 N N   . THR A 1 30 ? 2.470  10.984 7.995  1.00 5.31  ? ? ? ? ? ? 30 THR A N   1 
ATOM 214 C CA  . THR A 1 30 ? 2.986  9.994  8.950  1.00 5.70  ? ? ? ? ? ? 30 THR A CA  1 
ATOM 215 C C   . THR A 1 30 ? 3.609  10.505 10.230 1.00 6.28  ? ? ? ? ? ? 30 THR A C   1 
ATOM 216 O O   . THR A 1 30 ? 3.766  9.715  11.186 1.00 8.77  ? ? ? ? ? ? 30 THR A O   1 
ATOM 217 C CB  . THR A 1 30 ? 4.076  9.103  8.225  1.00 6.55  ? ? ? ? ? ? 30 THR A CB  1 
ATOM 218 O OG1 . THR A 1 30 ? 5.125  10.027 7.824  1.00 6.57  ? ? ? ? ? ? 30 THR A OG1 1 
ATOM 219 C CG2 . THR A 1 30 ? 3.493  8.324  7.035  1.00 7.29  ? ? ? ? ? ? 30 THR A CG2 1 
ATOM 220 N N   . GLY A 1 31 ? 3.984  11.764 10.241 1.00 4.99  ? ? ? ? ? ? 31 GLY A N   1 
ATOM 221 C CA  . GLY A 1 31 ? 4.769  12.336 11.360 1.00 5.50  ? ? ? ? ? ? 31 GLY A CA  1 
ATOM 222 C C   . GLY A 1 31 ? 6.255  12.243 11.106 1.00 4.19  ? ? ? ? ? ? 31 GLY A C   1 
ATOM 223 O O   . GLY A 1 31 ? 7.037  12.750 11.954 1.00 6.12  ? ? ? ? ? ? 31 GLY A O   1 
ATOM 224 N N   . CYS A 1 32 ? 6.710  11.631 9.992  1.00 4.30  ? ? ? ? ? ? 32 CYS A N   1 
ATOM 225 C CA  . CYS A 1 32 ? 8.140  11.694 9.635  1.00 4.89  ? ? ? ? ? ? 32 CYS A CA  1 
ATOM 226 C C   . CYS A 1 32 ? 8.500  13.141 9.206  1.00 5.50  ? ? ? ? ? ? 32 CYS A C   1 
ATOM 227 O O   . CYS A 1 32 ? 7.581  13.949 8.944  1.00 5.82  ? ? ? ? ? ? 32 CYS A O   1 
ATOM 228 C CB  . CYS A 1 32 ? 8.504  10.686 8.530  1.00 4.66  ? ? ? ? ? ? 32 CYS A CB  1 
ATOM 229 S SG  . CYS A 1 32 ? 8.048  8.987  8.881  1.00 5.33  ? ? ? ? ? ? 32 CYS A SG  1 
ATOM 230 N N   . ILE A 1 33 ? 9.793  13.410 9.173  1.00 6.02  ? ? ? ? ? ? 33 ILE A N   1 
ATOM 231 C CA  . ILE A 1 33 ? 10.280 14.760 8.823  1.00 5.24  ? ? ? ? ? ? 33 ILE A CA  1 
ATOM 232 C C   . ILE A 1 33 ? 11.346 14.658 7.743  1.00 5.16  ? ? ? ? ? ? 33 ILE A C   1 
ATOM 233 O O   . ILE A 1 33 ? 11.971 13.583 7.552  1.00 7.19  ? ? ? ? ? ? 33 ILE A O   1 
ATOM 234 C CB  . ILE A 1 33 ? 10.790 15.535 10.085 1.00 5.49  ? ? ? ? ? ? 33 ILE A CB  1 
ATOM 235 C CG1 . ILE A 1 33 ? 12.059 14.803 10.671 1.00 6.85  ? ? ? ? ? ? 33 ILE A CG1 1 
ATOM 236 C CG2 . ILE A 1 33 ? 9.684  15.686 11.138 1.00 6.45  ? ? ? ? ? ? 33 ILE A CG2 1 
ATOM 237 C CD1 . ILE A 1 33 ? 12.733 15.676 11.781 1.00 8.94  ? ? ? ? ? ? 33 ILE A CD1 1 
ATOM 238 N N   . ILE A 1 34 ? 11.490 15.773 7.038  1.00 5.52  ? ? ? ? ? ? 34 ILE A N   1 
ATOM 239 C CA  . ILE A 1 34 ? 12.552 15.877 6.036  1.00 6.82  ? ? ? ? ? ? 34 ILE A CA  1 
ATOM 240 C C   . ILE A 1 34 ? 13.590 16.917 6.560  1.00 6.92  ? ? ? ? ? ? 34 ILE A C   1 
ATOM 241 O O   . ILE A 1 34 ? 13.168 18.006 6.945  1.00 9.22  ? ? ? ? ? ? 34 ILE A O   1 
ATOM 242 C CB  . ILE A 1 34 ? 11.987 16.360 4.681  1.00 8.11  ? ? ? ? ? ? 34 ILE A CB  1 
ATOM 243 C CG1 . ILE A 1 34 ? 10.914 15.338 4.163  1.00 9.59  ? ? ? ? ? ? 34 ILE A CG1 1 
ATOM 244 C CG2 . ILE A 1 34 ? 13.131 16.517 3.629  1.00 9.73  ? ? ? ? ? ? 34 ILE A CG2 1 
ATOM 245 C CD1 . ILE A 1 34 ? 10.151 16.024 2.938  1.00 13.41 ? ? ? ? ? ? 34 ILE A CD1 1 
ATOM 246 N N   . ILE A 1 35 ? 14.856 16.493 6.536  1.00 7.06  ? ? ? ? ? ? 35 ILE A N   1 
ATOM 247 C CA  . ILE A 1 35 ? 15.930 17.454 6.941  1.00 7.52  ? ? ? ? ? ? 35 ILE A CA  1 
ATOM 248 C C   . ILE A 1 35 ? 16.913 17.550 5.819  1.00 6.63  ? ? ? ? ? ? 35 ILE A C   1 
ATOM 249 O O   . ILE A 1 35 ? 17.097 16.660 4.970  1.00 7.90  ? ? ? ? ? ? 35 ILE A O   1 
ATOM 250 C CB  . ILE A 1 35 ? 16.622 16.995 8.285  1.00 8.07  ? ? ? ? ? ? 35 ILE A CB  1 
ATOM 251 C CG1 . ILE A 1 35 ? 17.360 15.651 8.067  1.00 9.41  ? ? ? ? ? ? 35 ILE A CG1 1 
ATOM 252 C CG2 . ILE A 1 35 ? 15.592 16.974 9.434  1.00 9.46  ? ? ? ? ? ? 35 ILE A CG2 1 
ATOM 253 C CD1 . ILE A 1 35 ? 18.298 15.206 9.219  1.00 9.85  ? ? ? ? ? ? 35 ILE A CD1 1 
ATOM 254 N N   . PRO A 1 36 ? 17.664 18.669 5.806  1.00 8.07  ? ? ? ? ? ? 36 PRO A N   1 
ATOM 255 C CA  . PRO A 1 36 ? 18.635 18.861 4.738  1.00 8.78  ? ? ? ? ? ? 36 PRO A CA  1 
ATOM 256 C C   . PRO A 1 36 ? 19.925 18.042 4.949  1.00 8.31  ? ? ? ? ? ? 36 PRO A C   1 
ATOM 257 O O   . PRO A 1 36 ? 20.593 17.742 3.945  1.00 9.09  ? ? ? ? ? ? 36 PRO A O   1 
ATOM 258 C CB  . PRO A 1 36 ? 18.945 20.364 4.783  1.00 9.67  ? ? ? ? ? ? 36 PRO A CB  1 
ATOM 259 C CG  . PRO A 1 36 ? 18.238 20.937 5.908  1.00 10.15 ? ? ? ? ? ? 36 PRO A CG  1 
ATOM 260 C CD  . PRO A 1 36 ? 17.371 19.900 6.596  1.00 9.53  ? ? ? ? ? ? 36 PRO A CD  1 
ATOM 261 N N   . GLY A 1 37 ? 20.172 17.730 6.217  1.00 8.48  ? ? ? ? ? ? 37 GLY A N   1 
ATOM 262 C CA  . GLY A 1 37 ? 21.452 16.969 6.513  1.00 9.20  ? ? ? ? ? ? 37 GLY A CA  1 
ATOM 263 C C   . GLY A 1 37 ? 21.143 15.478 6.427  1.00 10.41 ? ? ? ? ? ? 37 GLY A C   1 
ATOM 264 O O   . GLY A 1 37 ? 20.138 15.023 5.878  1.00 12.06 ? ? ? ? ? ? 37 GLY A O   1 
ATOM 265 N N   . ALA A 1 38 ? 22.055 14.701 7.032  1.00 9.24  ? ? ? ? ? ? 38 ALA A N   1 
ATOM 266 C CA  . ALA A 1 38 ? 22.019 13.242 7.020  1.00 9.24  ? ? ? ? ? ? 38 ALA A CA  1 
ATOM 267 C C   . ALA A 1 38 ? 21.944 12.628 8.396  1.00 9.60  ? ? ? ? ? ? 38 ALA A C   1 
ATOM 268 O O   . ALA A 1 38 ? 21.869 11.387 8.435  1.00 13.65 ? ? ? ? ? ? 38 ALA A O   1 
ATOM 269 C CB  . ALA A 1 38 ? 23.246 12.697 6.275  1.00 10.43 ? ? ? ? ? ? 38 ALA A CB  1 
ATOM 270 N N   . THR A 1 39 ? 21.894 13.435 9.436  1.00 8.70  ? ? ? ? ? ? 39 THR A N   1 
ATOM 271 C CA  . THR A 1 39 ? 21.936 12.911 10.809 1.00 9.46  ? ? ? ? ? ? 39 THR A CA  1 
ATOM 272 C C   . THR A 1 39 ? 20.615 13.191 11.521 1.00 8.32  ? ? ? ? ? ? 39 THR A C   1 
ATOM 273 O O   . THR A 1 39 ? 20.357 14.317 11.948 1.00 9.89  ? ? ? ? ? ? 39 THR A O   1 
ATOM 274 C CB  . THR A 1 39 ? 23.131 13.601 11.593 1.00 10.72 ? ? ? ? ? ? 39 THR A CB  1 
ATOM 275 O OG1 . THR A 1 39 ? 24.284 13.401 10.709 1.00 11.66 ? ? ? ? ? ? 39 THR A OG1 1 
ATOM 276 C CG2 . THR A 1 39 ? 23.340 12.935 12.962 1.00 11.81 ? ? ? ? ? ? 39 THR A CG2 1 
ATOM 277 N N   . CYS A 1 40 ? 19.827 12.110 11.642 1.00 7.64  ? ? ? ? ? ? 40 CYS A N   1 
ATOM 278 C CA  . CYS A 1 40 ? 18.504 12.312 12.298 1.00 8.05  ? ? ? ? ? ? 40 CYS A CA  1 
ATOM 279 C C   . CYS A 1 40 ? 18.684 12.451 13.784 1.00 7.63  ? ? ? ? ? ? 40 CYS A C   1 
ATOM 280 O O   . CYS A 1 40 ? 19.533 11.718 14.362 1.00 9.64  ? ? ? ? ? ? 40 CYS A O   1 
ATOM 281 C CB  . CYS A 1 40 ? 17.582 11.117 11.996 1.00 7.80  ? ? ? ? ? ? 40 CYS A CB  1 
ATOM 282 S SG  . CYS A 1 40 ? 17.199 10.929 10.237 1.00 7.30  ? ? ? ? ? ? 40 CYS A SG  1 
ATOM 283 N N   . PRO A 1 41 ? 17.880 13.266 14.426 1.00 8.00  ? ? ? ? ? ? 41 PRO A N   1 
ATOM 284 C CA  . PRO A 1 41 ? 17.924 13.421 15.877 1.00 8.96  ? ? ? ? ? ? 41 PRO A CA  1 
ATOM 285 C C   . PRO A 1 41 ? 17.392 12.206 16.594 1.00 9.06  ? ? ? ? ? ? 41 PRO A C   1 
ATOM 286 O O   . PRO A 1 41 ? 16.652 11.368 16.033 1.00 8.82  ? ? ? ? ? ? 41 PRO A O   1 
ATOM 287 C CB  . PRO A 1 41 ? 17.076 14.658 16.145 1.00 10.39 ? ? ? ? ? ? 41 PRO A CB  1 
ATOM 288 C CG  . PRO A 1 41 ? 16.098 14.689 14.997 1.00 10.99 ? ? ? ? ? ? 41 PRO A CG  1 
ATOM 289 C CD  . PRO A 1 41 ? 16.859 14.150 13.779 1.00 10.49 ? ? ? ? ? ? 41 PRO A CD  1 
ATOM 290 N N   . GLY A 1 42 ? 17.728 12.124 17.884 1.00 7.55  ? ? ? ? ? ? 42 GLY A N   1 
ATOM 291 C CA  . GLY A 1 42 ? 17.334 10.956 18.691 1.00 8.00  ? ? ? ? ? ? 42 GLY A CA  1 
ATOM 292 C C   . GLY A 1 42 ? 15.875 10.688 18.871 1.00 7.22  ? ? ? ? ? ? 42 GLY A C   1 
ATOM 293 O O   . GLY A 1 42 ? 15.434 9.550  19.166 1.00 8.41  ? ? ? ? ? ? 42 GLY A O   1 
ATOM 294 N N   . ASP A 1 43 ? 15.036 11.747 18.715 1.00 5.54  ? ? ? ? ? ? 43 ASP A N   1 
ATOM 295 C CA  . ASP A 1 43 ? 13.564 11.573 18.836 1.00 5.85  ? ? ? ? ? ? 43 ASP A CA  1 
ATOM 296 C C   . ASP A 1 43 ? 12.936 11.227 17.470 1.00 5.87  ? ? ? ? ? ? 43 ASP A C   1 
ATOM 297 O O   . ASP A 1 43 ? 11.720 11.040 17.428 1.00 7.29  ? ? ? ? ? ? 43 ASP A O   1 
ATOM 298 C CB  . ASP A 1 43 ? 12.933 12.737 19.580 1.00 6.72  ? ? ? ? ? ? 43 ASP A CB  1 
ATOM 299 C CG  . ASP A 1 43 ? 13.140 14.094 18.958 1.00 8.59  ? ? ? ? ? ? 43 ASP A CG  1 
ATOM 300 O OD1 . ASP A 1 43 ? 14.109 14.303 18.212 1.00 9.59  ? ? ? ? ? ? 43 ASP A OD1 1 
ATOM 301 O OD2 . ASP A 1 43 ? 12.267 14.963 19.265 1.00 11.45 ? ? ? ? ? ? 43 ASP A OD2 1 
ATOM 302 N N   . TYR A 1 44 ? 13.725 11.174 16.425 1.00 5.22  ? ? ? ? ? ? 44 TYR A N   1 
ATOM 303 C CA  . TYR A 1 44 ? 13.257 10.745 15.081 1.00 5.56  ? ? ? ? ? ? 44 TYR A CA  1 
ATOM 304 C C   . TYR A 1 44 ? 14.275 9.687  14.612 1.00 4.61  ? ? ? ? ? ? 44 TYR A C   1 
ATOM 305 O O   . TYR A 1 44 ? 14.930 9.862  13.568 1.00 6.04  ? ? ? ? ? ? 44 TYR A O   1 
ATOM 306 C CB  . TYR A 1 44 ? 13.200 11.914 14.071 1.00 5.41  ? ? ? ? ? ? 44 TYR A CB  1 
ATOM 307 C CG  . TYR A 1 44 ? 12.000 12.819 14.399 1.00 5.34  ? ? ? ? ? ? 44 TYR A CG  1 
ATOM 308 C CD1 . TYR A 1 44 ? 12.119 13.853 15.332 1.00 6.59  ? ? ? ? ? ? 44 TYR A CD1 1 
ATOM 309 C CD2 . TYR A 1 44 ? 10.775 12.617 13.762 1.00 5.94  ? ? ? ? ? ? 44 TYR A CD2 1 
ATOM 310 C CE1 . TYR A 1 44 ? 11.045 14.675 15.610 1.00 5.97  ? ? ? ? ? ? 44 TYR A CE1 1 
ATOM 311 C CE2 . TYR A 1 44 ? 9.676  13.433 14.048 1.00 5.17  ? ? ? ? ? ? 44 TYR A CE2 1 
ATOM 312 C CZ  . TYR A 1 44 ? 9.802  14.456 14.996 1.00 5.96  ? ? ? ? ? ? 44 TYR A CZ  1 
ATOM 313 O OH  . TYR A 1 44 ? 8.740  15.265 15.269 1.00 8.60  ? ? ? ? ? ? 44 TYR A OH  1 
ATOM 314 N N   . ALA A 1 45 ? 14.342 8.640  15.422 1.00 4.76  ? ? ? ? ? ? 45 ALA A N   1 
ATOM 315 C CA  . ALA A 1 45 ? 15.445 7.667  15.246 1.00 5.89  ? ? ? ? ? ? 45 ALA A CA  1 
ATOM 316 C C   . ALA A 1 45 ? 15.171 6.533  14.280 1.00 6.67  ? ? ? ? ? ? 45 ALA A C   1 
ATOM 317 O O   . ALA A 1 45 ? 16.093 5.705  14.039 1.00 7.56  ? ? ? ? ? ? 45 ALA A O   1 
ATOM 318 C CB  . ALA A 1 45 ? 15.680 7.099  16.682 1.00 6.82  ? ? ? ? ? ? 45 ALA A CB  1 
ATOM 319 N N   . ASN A 1 46 ? 13.966 6.502  13.739 1.00 5.80  ? ? ? ? ? ? 46 ASN A N   1 
ATOM 320 C CA  . ASN A 1 46 ? 13.512 5.395  12.878 1.00 6.15  ? ? ? ? ? ? 46 ASN A CA  1 
ATOM 321 C C   . ASN A 1 46 ? 13.311 5.853  11.455 1.00 6.61  ? ? ? ? ? ? 46 ASN A C   1 
ATOM 322 O O   . ASN A 1 46 ? 13.733 6.929  11.026 1.00 7.18  ? ? ? ? ? ? 46 ASN A O   1 
ATOM 323 C CB  . ASN A 1 46 ? 12.266 4.769  13.501 1.00 7.27  ? ? ? ? ? ? 46 ASN A CB  1 
ATOM 324 C CG  . ASN A 1 46 ? 12.538 4.304  14.922 1.00 7.98  ? ? ? ? ? ? 46 ASN A CG  1 
ATOM 325 O OD1 . ASN A 1 46 ? 11.982 4.849  15.886 1.00 11.00 ? ? ? ? ? ? 46 ASN A OD1 1 
ATOM 326 N ND2 . ASN A 1 46 ? 13.407 3.298  15.015 1.00 10.32 ? ? ? ? ? ? 46 ASN A ND2 1 
ATOM 327 O OXT . ASN A 1 46 ? 12.703 4.973  10.746 1.00 7.86  ? ? ? ? ? ? 46 ASN A OXT 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  THR 1  1  1  THR THR A . n 
A 1 2  THR 2  2  2  THR THR A . n 
A 1 3  CYS 3  3  3  CYS CYS A . n 
A 1 4  CYS 4  4  4  CYS CYS A . n 
A 1 5  PRO 5  5  5  PRO PRO A . n 
A 1 6  SER 6  6  6  SER SER A . n 
A 1 7  ILE 7  7  7  ILE ILE A . n 
A 1 8  VAL 8  8  8  VAL VAL A . n 
A 1 9  ALA 9  9  9  ALA ALA A . n 
A 1 10 ARG 10 10 10 ARG ARG A . n 
A 1 11 SER 11 11 11 SER SER A . n 
A 1 12 ASN 12 12 12 ASN ASN A . n 
A 1 13 PHE 13 13 13 PHE PHE A . n 
A 1 14 ASN 14 14 14 ASN ASN A . n 
A 1 15 VAL 15 15 15 VAL VAL A . n 
A 1 16 CYS 16 16 16 CYS CYS A . n 
A 1 17 ARG 17 17 17 ARG ARG A . n 
A 1 18 LEU 18 18 18 LEU LEU A . n 
A 1 19 PRO 19 19 19 PRO PRO A . n 
A 1 20 GLY 20 20 20 GLY GLY A . n 
A 1 21 THR 21 21 21 THR THR A . n 
A 1 22 PRO 22 22 22 PRO PRO A . n 
A 1 23 GLU 23 23 23 GLU GLU A . n 
A 1 24 ALA 24 24 24 ALA ALA A . n 
A 1 25 ILE 25 25 25 ILE ILE A . n 
A 1 26 CYS 26 26 26 CYS CYS A . n 
A 1 27 ALA 27 27 27 ALA ALA A . n 
A 1 28 THR 28 28 28 THR THR A . n 
A 1 29 TYR 29 29 29 TYR TYR A . n 
A 1 30 THR 30 30 30 THR THR A . n 
A 1 31 GLY 31 31 31 GLY GLY A . n 
A 1 32 CYS 32 32 32 CYS CYS A . n 
A 1 33 ILE 33 33 33 ILE ILE A . n 
A 1 34 ILE 34 34 34 ILE ILE A . n 
A 1 35 ILE 35 35 35 ILE ILE A . n 
A 1 36 PRO 36 36 36 PRO PRO A . n 
A 1 37 GLY 37 37 37 GLY GLY A . n 
A 1 38 ALA 38 38 38 ALA ALA A . n 
A 1 39 THR 39 39 39 THR THR A . n 
A 1 40 CYS 40 40 40 CYS CYS A . n 
A 1 41 PRO 41 41 41 PRO PRO A . n 
A 1 42 GLY 42 42 42 GLY GLY A . n 
A 1 43 ASP 43 43 43 ASP ASP A . n 
A 1 44 TYR 44 44 44 TYR TYR A . n 
A 1 45 ALA 45 45 45 ALA ALA A . n 
A 1 46 ASN 46 46 46 ASN ASN A . n 
# 
_software.name             PROLSQ 
_software.classification   refinement 
_software.version          . 
_software.citation_id      ? 
_software.pdbx_ordinal     1 
# 
loop_
_pdbx_version.entry_id 
_pdbx_version.revision_date 
_pdbx_version.major_version 
_pdbx_version.minor_version 
_pdbx_version.revision_type 
_pdbx_version.details 
1CRN 2008-03-24 3 2    'Version format compliance' 'compliance with PDB format V.3.15'          
1CRN 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4' 
1CRN 2012-07-11 4 0001 Other                       'Correct SCALE records, updated Header'      
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
_pdbx_entry_details.entry_id             1CRN 
_pdbx_entry_details.compound_details     
;THE SECONDARY STRUCTURE SPECIFICATIONS ARE THOSE DEFINED
IN REFERENCE 1 ABOVE AND DEPEND ON PARTICULAR DEFINITIONS
THAT MAY AFFECT THE DETERMINATION OF END POINTS.  PLEASE
CONSULT THE PRIMARY REFERENCE AND EXAMINE STRUCTURAL
DETAILS SUCH AS HYDROGEN BONDING AND CONFORMATION ANGLES
WHEN MAKING USE OF THE SPECIFICATIONS.
;
_pdbx_entry_details.source_details       ? 
_pdbx_entry_details.nonpolymer_details   ? 
_pdbx_entry_details.sequence_details     ? 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_deviation 
1 1 NE A ARG 10 ? ? CZ A ARG 10 ? ? NH2 A ARG 10 ? ? -3.6 
2 1 CB A TYR 29 ? ? CG A TYR 29 ? ? CD1 A TYR 29 ? ? -4.7 
#