data_9M51
# 
_entry.id   9M51 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9M51         pdb_00009m51 10.2210/pdb9m51/pdb 
WWPDB D_1300057185 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-12 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9M51 
_pdbx_database_status.recvd_initial_deposition_date   2025-03-05 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              esraayan20@ku.edu.tr 
_pdbx_contact_author.name_first         Esra 
_pdbx_contact_author.name_last          Ayan 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7906-4426 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Ayan, E.'  1 0000-0001-7906-4426 
'Tosha, T.' 2 0000-0002-8971-0759 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Cubic insulin crystal, Esrapid, at pH 6' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Ayan, E.'  1 0000-0001-7906-4426 
primary 'Tosha, T.' 2 0000-0002-8971-0759 
# 
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 'Insulin A chain' 2326.647 1  ? ? ? ? 
2 polymer     man 'Insulin B chain' 3332.849 1  ? ? ? ? 
3 non-polymer syn 'SULFATE ION'     96.063   1  ? ? ? ? 
4 water       nat water             18.015   10 ? ? ? ? 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no GIVEQCCTSICSLYQLENYCG         GIVEQCCTSICSLYQLENYCG         A ? 
2 'polypeptide(L)' no no FVNQHLCGSHLVEALYLVCGERGFFYTPK FVNQHLCGSHLVEALYLVCGERGFFYTPK B ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 'SULFATE ION' SO4 
4 water         HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  GLY n 
1 2  ILE n 
1 3  VAL n 
1 4  GLU n 
1 5  GLN n 
1 6  CYS n 
1 7  CYS n 
1 8  THR n 
1 9  SER n 
1 10 ILE n 
1 11 CYS n 
1 12 SER n 
1 13 LEU n 
1 14 TYR n 
1 15 GLN n 
1 16 LEU n 
1 17 GLU n 
1 18 ASN n 
1 19 TYR n 
1 20 CYS n 
1 21 GLY n 
2 1  PHE n 
2 2  VAL n 
2 3  ASN n 
2 4  GLN n 
2 5  HIS n 
2 6  LEU n 
2 7  CYS n 
2 8  GLY n 
2 9  SER n 
2 10 HIS n 
2 11 LEU n 
2 12 VAL n 
2 13 GLU n 
2 14 ALA n 
2 15 LEU n 
2 16 TYR n 
2 17 LEU n 
2 18 VAL n 
2 19 CYS n 
2 20 GLY n 
2 21 GLU n 
2 22 ARG n 
2 23 GLY n 
2 24 PHE n 
2 25 PHE n 
2 26 TYR n 
2 27 THR n 
2 28 PRO n 
2 29 LYS n 
# 
loop_
_entity_src_gen.entity_id 
_entity_src_gen.pdbx_src_id 
_entity_src_gen.pdbx_alt_source_flag 
_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 
_entity_src_gen.pdbx_gene_src_gene 
_entity_src_gen.gene_src_species 
_entity_src_gen.gene_src_strain 
_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 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 
_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.host_org_details 
_entity_src_gen.expression_system_id 
_entity_src_gen.plasmid_name 
_entity_src_gen.plasmid_details 
_entity_src_gen.pdbx_description 
1 1 sample 'Biological sequence' 1 21 human ? INS ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? 
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 29 human ? INS ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? 
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
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 
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 
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 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
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  GLY 1  1  1  GLY GLY A . n 
A 1 2  ILE 2  2  2  ILE ILE A . n 
A 1 3  VAL 3  3  3  VAL VAL A . n 
A 1 4  GLU 4  4  4  GLU GLU A . n 
A 1 5  GLN 5  5  5  GLN GLN A . n 
A 1 6  CYS 6  6  6  CYS CYS A . n 
A 1 7  CYS 7  7  7  CYS CYS A . n 
A 1 8  THR 8  8  8  THR THR A . n 
A 1 9  SER 9  9  9  SER SER A . n 
A 1 10 ILE 10 10 10 ILE ILE A . n 
A 1 11 CYS 11 11 11 CYS CYS A . n 
A 1 12 SER 12 12 12 SER SER A . n 
A 1 13 LEU 13 13 13 LEU LEU A . n 
A 1 14 TYR 14 14 14 TYR TYR A . n 
A 1 15 GLN 15 15 15 GLN GLN A . n 
A 1 16 LEU 16 16 16 LEU LEU A . n 
A 1 17 GLU 17 17 17 GLU GLU A . n 
A 1 18 ASN 18 18 18 ASN ASN A . n 
A 1 19 TYR 19 19 19 TYR TYR A . n 
A 1 20 CYS 20 20 20 CYS CYS A . n 
A 1 21 GLY 21 21 21 GLY GLY A . n 
B 2 1  PHE 1  1  1  PHE PHE B . n 
B 2 2  VAL 2  2  2  VAL VAL B . n 
B 2 3  ASN 3  3  3  ASN ASN B . n 
B 2 4  GLN 4  4  4  GLN GLN B . n 
B 2 5  HIS 5  5  5  HIS HIS B . n 
B 2 6  LEU 6  6  6  LEU LEU B . n 
B 2 7  CYS 7  7  7  CYS CYS B . n 
B 2 8  GLY 8  8  8  GLY GLY B . n 
B 2 9  SER 9  9  9  SER SER B . n 
B 2 10 HIS 10 10 10 HIS HIS B . n 
B 2 11 LEU 11 11 11 LEU LEU B . n 
B 2 12 VAL 12 12 12 VAL VAL B . n 
B 2 13 GLU 13 13 13 GLU GLU B . n 
B 2 14 ALA 14 14 14 ALA ALA B . n 
B 2 15 LEU 15 15 15 LEU LEU B . n 
B 2 16 TYR 16 16 16 TYR TYR B . n 
B 2 17 LEU 17 17 17 LEU LEU B . n 
B 2 18 VAL 18 18 18 VAL VAL B . n 
B 2 19 CYS 19 19 19 CYS CYS B . n 
B 2 20 GLY 20 20 20 GLY GLY B . n 
B 2 21 GLU 21 21 21 GLU GLU B . n 
B 2 22 ARG 22 22 22 ARG ARG B . n 
B 2 23 GLY 23 23 23 GLY GLY B . n 
B 2 24 PHE 24 24 24 PHE PHE B . n 
B 2 25 PHE 25 25 25 PHE PHE B . n 
B 2 26 TYR 26 26 26 TYR TYR B . n 
B 2 27 THR 27 27 27 THR THR B . n 
B 2 28 PRO 28 28 28 PRO PRO B . n 
B 2 29 LYS 29 29 29 LYS LYS B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        SO4 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   SO4 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 3 SO4 1 101 1  SO4 SO4 B . 
D 4 HOH 1 101 15 HOH HOH A . 
D 4 HOH 2 102 16 HOH HOH A . 
D 4 HOH 3 103 10 HOH HOH A . 
D 4 HOH 4 104 14 HOH HOH A . 
E 4 HOH 1 201 17 HOH HOH B . 
E 4 HOH 2 202 4  HOH HOH B . 
E 4 HOH 3 203 2  HOH HOH B . 
E 4 HOH 4 204 8  HOH HOH B . 
E 4 HOH 5 205 13 HOH HOH B . 
E 4 HOH 6 206 18 HOH HOH B . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? '(1.20.1_4487: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .                    2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9M51 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     78.260 
_cell.length_a_esd                 ? 
_cell.length_b                     78.260 
_cell.length_b_esd                 ? 
_cell.length_c                     78.260 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        24 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9M51 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                199 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'I 21 3' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9M51 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             3.53 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          65.14 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '20mM citric acid, 0.5M sodium phosphate dibasic dihydrate, 0.1M sodium sulfate, pH 6' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-11-06 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SPRING-8 BEAMLINE BL32XU' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL32XU 
_diffrn_source.pdbx_synchrotron_site       SPring-8 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9M51 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.76 
_reflns.d_resolution_low                               20 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     198628 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.86 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                2.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          11.74 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.998 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.76 
_reflns_shell.d_res_low                                     1.823 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             8078 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.201 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9M51 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.76 
_refine.ls_d_res_low                             19.57 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     8078 
_refine.ls_number_reflns_R_free                  805 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.98 
_refine.ls_percent_reflns_R_free                 9.97 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2087 
_refine.ls_R_factor_R_free                       0.2262 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2067 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.correlation_coeff_I_to_Fcsqd_work        ? 
_refine.correlation_coeff_I_to_Fcsqd_free        ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.30 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 34.18 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.27 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        393 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         5 
_refine_hist.number_atoms_solvent             10 
_refine_hist.number_atoms_total               408 
_refine_hist.d_res_high                       1.76 
_refine_hist.d_res_low                        19.57 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.006  ? ?   ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.693  ? ?   ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 12.408 ? 142 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.066  ? 60  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.004  ? 70  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.correlation_coeff_Fo_to_Fc 
_refine_ls_shell.correlation_coeff_Fo_to_Fc_free 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_work 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_free 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.76 1.87 . . 131 1196 100.00 . . . . 0.3224 . . . . . . . . . . . . . . . 0.3460 
'X-RAY DIFFRACTION' 1.87 2.01 . . 138 1200 100.00 . . . . 0.2792 . . . . . . . . . . . . . . . 0.3549 
'X-RAY DIFFRACTION' 2.02 2.22 . . 131 1202 100.00 . . . . 0.2483 . . . . . . . . . . . . . . . 0.2836 
'X-RAY DIFFRACTION' 2.22 2.54 . . 130 1200 100.00 . . . . 0.2285 . . . . . . . . . . . . . . . 0.2306 
'X-RAY DIFFRACTION' 2.54 3.19 . . 137 1214 100.00 . . . . 0.2189 . . . . . . . . . . . . . . . 0.2332 
'X-RAY DIFFRACTION' 3.20 10   . . 138 1261 100.00 . . . . 0.1733 . . . . . . . . . . . . . . . 0.1921 
# 
_struct.entry_id                     9M51 
_struct.title                        'Cubic insulin crystal, Esrapid, at pH 6' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9M51 
_struct_keywords.text            'insulin; X-ray crystallography, structural biology; ionic strength, HORMONE' 
_struct_keywords.pdbx_keywords   HORMONE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 4 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP INS_HUMAN P01308 ? 1 GIVEQCCTSICSLYQLENYC          90 
2 UNP INS_HUMAN P01308 ? 2 FVNQHLCGSHLVEALYLVCGERGFFYTPK 25 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9M51 A 1 ? 20 ? P01308 90 ? 109 ? 1 20 
2 2 9M51 B 1 ? 29 ? P01308 25 ? 53  ? 1 29 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             9M51 
_struct_ref_seq_dif.mon_id                       GLY 
_struct_ref_seq_dif.pdbx_pdb_strand_id           A 
_struct_ref_seq_dif.seq_num                      21 
_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   P01308 
_struct_ref_seq_dif.db_mon_id                    ? 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          ? 
_struct_ref_seq_dif.details                      'expression tag' 
_struct_ref_seq_dif.pdbx_auth_seq_num            21 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
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)' 1650 ? 
1 MORE         -26  ? 
1 'SSA (A^2)'  3280 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
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 AA1 GLY A 1  ? CYS A 7  ? GLY A 1  CYS A 7  1 ? 7  
HELX_P HELX_P2 AA2 SER A 12 ? ASN A 18 ? SER A 12 ASN A 18 1 ? 7  
HELX_P HELX_P3 AA3 GLY B 8  ? GLY B 20 ? GLY B 8  GLY B 20 1 ? 13 
HELX_P HELX_P4 AA4 GLU B 21 ? GLY B 23 ? GLU B 21 GLY B 23 5 ? 3  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 6  SG ? ? ? 1_555 A CYS 11 SG ? ? A CYS 6  A CYS 11 1_555 ? ? ? ? ? ? ? 2.044 ? ? 
disulf2 disulf ? ? A CYS 7  SG ? ? ? 1_555 B CYS 7  SG ? ? A CYS 7  B CYS 7  1_555 ? ? ? ? ? ? ? 2.044 ? ? 
disulf3 disulf ? ? A CYS 20 SG ? ? ? 1_555 B CYS 19 SG ? ? A CYS 20 B CYS 19 1_555 ? ? ? ? ? ? ? 2.042 ? ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 6  ? CYS A 11 ? CYS A 6  ? 1_555 CYS A 11 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 7  ? CYS B 7  ? CYS A 7  ? 1_555 CYS B 7  ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 20 ? CYS B 19 ? CYS A 20 ? 1_555 CYS B 19 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
_pdbx_entry_details.entry_id                   9M51 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     206 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -23.9037 -1.5637 -14.6400 0.3874 ? -0.0031 ? -0.0101 ? 0.4791 ? 0.0337  ? 0.3220 ? 2.1300 ? 2.1481 
? 0.9374  ? 8.5293 ? -0.9313 ? 2.9927 ? -0.0336 ? 0.1752  ? -0.2079 ? -0.0629 ? -0.0294 ? 0.3954  ? 0.3572  ? -0.6333 ? -0.0316 ? 
2 'X-RAY DIFFRACTION' ? refined -15.2643 4.0809  -11.1942 0.4347 ? -0.0192 ? 0.0349  ? 0.3516 ? 0.0694  ? 0.3841 ? 7.0184 ? 
-1.7185 ? -0.0719 ? 2.5677 ? -0.1369 ? 2.6645 ? -0.1909 ? 0.4538  ? 1.1173  ? -0.3174 ? 0.0593  ? -0.2643 ? -1.1915 ? 0.0102  ? 
0.0612  ? 
3 'X-RAY DIFFRACTION' ? refined -19.6602 -7.6391 -13.6223 0.5185 ? -0.0566 ? -0.0473 ? 0.4651 ? -0.0508 ? 0.3372 ? 2.2333 ? 
-1.3806 ? -0.8414 ? 2.3761 ? -1.6921 ? 3.9084 ? 0.1474  ? 0.4943  ? -1.2810 ? -0.0750 ? 0.1501  ? -0.0951 ? 0.8088  ? -0.5315 ? 
-0.0656 ? 
4 'X-RAY DIFFRACTION' ? refined -15.1437 -3.3484 -4.1911  0.3200 ? -0.0053 ? 0.0418  ? 0.3544 ? 0.0166  ? 0.2596 ? 8.5671 ? 0.5779 
? 1.6044  ? 3.6631 ? -0.3267 ? 2.3608 ? -0.1703 ? -0.1194 ? -0.7075 ? -0.0003 ? 0.1178  ? -0.5568 ? 0.2261  ? 0.3132  ? 0.0887  ? 
5 'X-RAY DIFFRACTION' ? refined -22.8283 3.7959  -3.7381  0.4799 ? 0.0515  ? 0.0044  ? 0.4231 ? 0.0429  ? 0.4112 ? 4.0416 ? 3.9776 
? -0.6185 ? 4.7038 ? 0.6125  ? 7.7627 ? -0.2212 ? 1.4114  ? 0.5948  ? -0.4495 ? 0.1975  ? 1.2018  ? -0.8530 ? -0.5268 ? -0.0075 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 1 through 12 )
;
2 'X-RAY DIFFRACTION' 2 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 13 through 21 )
;
3 'X-RAY DIFFRACTION' 3 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 1 through 7 )
;
4 'X-RAY DIFFRACTION' 4 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 8 through 22 )
;
5 'X-RAY DIFFRACTION' 5 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 23 through 29 )
;
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
CYS N    N N N 58  
CYS CA   C N R 59  
CYS C    C N N 60  
CYS O    O N N 61  
CYS CB   C N N 62  
CYS SG   S N N 63  
CYS OXT  O N N 64  
CYS H    H N N 65  
CYS H2   H N N 66  
CYS HA   H N N 67  
CYS HB2  H N N 68  
CYS HB3  H N N 69  
CYS HG   H N N 70  
CYS HXT  H N N 71  
GLN N    N N N 72  
GLN CA   C N S 73  
GLN C    C N N 74  
GLN O    O N N 75  
GLN CB   C N N 76  
GLN CG   C N N 77  
GLN CD   C N N 78  
GLN OE1  O N N 79  
GLN NE2  N N N 80  
GLN OXT  O N N 81  
GLN H    H N N 82  
GLN H2   H N N 83  
GLN HA   H N N 84  
GLN HB2  H N N 85  
GLN HB3  H N N 86  
GLN HG2  H N N 87  
GLN HG3  H N N 88  
GLN HE21 H N N 89  
GLN HE22 H N N 90  
GLN HXT  H N N 91  
GLU N    N N N 92  
GLU CA   C N S 93  
GLU C    C N N 94  
GLU O    O N N 95  
GLU CB   C N N 96  
GLU CG   C N N 97  
GLU CD   C N N 98  
GLU OE1  O N N 99  
GLU OE2  O N N 100 
GLU OXT  O N N 101 
GLU H    H N N 102 
GLU H2   H N N 103 
GLU HA   H N N 104 
GLU HB2  H N N 105 
GLU HB3  H N N 106 
GLU HG2  H N N 107 
GLU HG3  H N N 108 
GLU HE2  H N N 109 
GLU HXT  H N N 110 
GLY N    N N N 111 
GLY CA   C N N 112 
GLY C    C N N 113 
GLY O    O N N 114 
GLY OXT  O N N 115 
GLY H    H N N 116 
GLY H2   H N N 117 
GLY HA2  H N N 118 
GLY HA3  H N N 119 
GLY HXT  H N N 120 
HIS N    N N N 121 
HIS CA   C N S 122 
HIS C    C N N 123 
HIS O    O N N 124 
HIS CB   C N N 125 
HIS CG   C Y N 126 
HIS ND1  N Y N 127 
HIS CD2  C Y N 128 
HIS CE1  C Y N 129 
HIS NE2  N Y N 130 
HIS OXT  O N N 131 
HIS H    H N N 132 
HIS H2   H N N 133 
HIS HA   H N N 134 
HIS HB2  H N N 135 
HIS HB3  H N N 136 
HIS HD1  H N N 137 
HIS HD2  H N N 138 
HIS HE1  H N N 139 
HIS HE2  H N N 140 
HIS HXT  H N N 141 
HOH O    O N N 142 
HOH H1   H N N 143 
HOH H2   H N N 144 
ILE N    N N N 145 
ILE CA   C N S 146 
ILE C    C N N 147 
ILE O    O N N 148 
ILE CB   C N S 149 
ILE CG1  C N N 150 
ILE CG2  C N N 151 
ILE CD1  C N N 152 
ILE OXT  O N N 153 
ILE H    H N N 154 
ILE H2   H N N 155 
ILE HA   H N N 156 
ILE HB   H N N 157 
ILE HG12 H N N 158 
ILE HG13 H N N 159 
ILE HG21 H N N 160 
ILE HG22 H N N 161 
ILE HG23 H N N 162 
ILE HD11 H N N 163 
ILE HD12 H N N 164 
ILE HD13 H N N 165 
ILE HXT  H N N 166 
LEU N    N N N 167 
LEU CA   C N S 168 
LEU C    C N N 169 
LEU O    O N N 170 
LEU CB   C N N 171 
LEU CG   C N N 172 
LEU CD1  C N N 173 
LEU CD2  C N N 174 
LEU OXT  O N N 175 
LEU H    H N N 176 
LEU H2   H N N 177 
LEU HA   H N N 178 
LEU HB2  H N N 179 
LEU HB3  H N N 180 
LEU HG   H N N 181 
LEU HD11 H N N 182 
LEU HD12 H N N 183 
LEU HD13 H N N 184 
LEU HD21 H N N 185 
LEU HD22 H N N 186 
LEU HD23 H N N 187 
LEU HXT  H N N 188 
LYS N    N N N 189 
LYS CA   C N S 190 
LYS C    C N N 191 
LYS O    O N N 192 
LYS CB   C N N 193 
LYS CG   C N N 194 
LYS CD   C N N 195 
LYS CE   C N N 196 
LYS NZ   N N N 197 
LYS OXT  O N N 198 
LYS H    H N N 199 
LYS H2   H N N 200 
LYS HA   H N N 201 
LYS HB2  H N N 202 
LYS HB3  H N N 203 
LYS HG2  H N N 204 
LYS HG3  H N N 205 
LYS HD2  H N N 206 
LYS HD3  H N N 207 
LYS HE2  H N N 208 
LYS HE3  H N N 209 
LYS HZ1  H N N 210 
LYS HZ2  H N N 211 
LYS HZ3  H N N 212 
LYS HXT  H N N 213 
PHE N    N N N 214 
PHE CA   C N S 215 
PHE C    C N N 216 
PHE O    O N N 217 
PHE CB   C N N 218 
PHE CG   C Y N 219 
PHE CD1  C Y N 220 
PHE CD2  C Y N 221 
PHE CE1  C Y N 222 
PHE CE2  C Y N 223 
PHE CZ   C Y N 224 
PHE OXT  O N N 225 
PHE H    H N N 226 
PHE H2   H N N 227 
PHE HA   H N N 228 
PHE HB2  H N N 229 
PHE HB3  H N N 230 
PHE HD1  H N N 231 
PHE HD2  H N N 232 
PHE HE1  H N N 233 
PHE HE2  H N N 234 
PHE HZ   H N N 235 
PHE HXT  H N N 236 
PRO N    N N N 237 
PRO CA   C N S 238 
PRO C    C N N 239 
PRO O    O N N 240 
PRO CB   C N N 241 
PRO CG   C N N 242 
PRO CD   C N N 243 
PRO OXT  O N N 244 
PRO H    H N N 245 
PRO HA   H N N 246 
PRO HB2  H N N 247 
PRO HB3  H N N 248 
PRO HG2  H N N 249 
PRO HG3  H N N 250 
PRO HD2  H N N 251 
PRO HD3  H N N 252 
PRO HXT  H N N 253 
SER N    N N N 254 
SER CA   C N S 255 
SER C    C N N 256 
SER O    O N N 257 
SER CB   C N N 258 
SER OG   O N N 259 
SER OXT  O N N 260 
SER H    H N N 261 
SER H2   H N N 262 
SER HA   H N N 263 
SER HB2  H N N 264 
SER HB3  H N N 265 
SER HG   H N N 266 
SER HXT  H N N 267 
SO4 S    S N N 268 
SO4 O1   O N N 269 
SO4 O2   O N N 270 
SO4 O3   O N N 271 
SO4 O4   O N N 272 
THR N    N N N 273 
THR CA   C N S 274 
THR C    C N N 275 
THR O    O N N 276 
THR CB   C N R 277 
THR OG1  O N N 278 
THR CG2  C N N 279 
THR OXT  O N N 280 
THR H    H N N 281 
THR H2   H N N 282 
THR HA   H N N 283 
THR HB   H N N 284 
THR HG1  H N N 285 
THR HG21 H N N 286 
THR HG22 H N N 287 
THR HG23 H N N 288 
THR HXT  H N N 289 
TYR N    N N N 290 
TYR CA   C N S 291 
TYR C    C N N 292 
TYR O    O N N 293 
TYR CB   C N N 294 
TYR CG   C Y N 295 
TYR CD1  C Y N 296 
TYR CD2  C Y N 297 
TYR CE1  C Y N 298 
TYR CE2  C Y N 299 
TYR CZ   C Y N 300 
TYR OH   O N N 301 
TYR OXT  O N N 302 
TYR H    H N N 303 
TYR H2   H N N 304 
TYR HA   H N N 305 
TYR HB2  H N N 306 
TYR HB3  H N N 307 
TYR HD1  H N N 308 
TYR HD2  H N N 309 
TYR HE1  H N N 310 
TYR HE2  H N N 311 
TYR HH   H N N 312 
TYR HXT  H N N 313 
VAL N    N N N 314 
VAL CA   C N S 315 
VAL C    C N N 316 
VAL O    O N N 317 
VAL CB   C N N 318 
VAL CG1  C N N 319 
VAL CG2  C N N 320 
VAL OXT  O N N 321 
VAL H    H N N 322 
VAL H2   H N N 323 
VAL HA   H N N 324 
VAL HB   H N N 325 
VAL HG11 H N N 326 
VAL HG12 H N N 327 
VAL HG13 H N N 328 
VAL HG21 H N N 329 
VAL HG22 H N N 330 
VAL HG23 H N N 331 
VAL HXT  H N N 332 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
CYS N   CA   sing N N 55  
CYS N   H    sing N N 56  
CYS N   H2   sing N N 57  
CYS CA  C    sing N N 58  
CYS CA  CB   sing N N 59  
CYS CA  HA   sing N N 60  
CYS C   O    doub N N 61  
CYS C   OXT  sing N N 62  
CYS CB  SG   sing N N 63  
CYS CB  HB2  sing N N 64  
CYS CB  HB3  sing N N 65  
CYS SG  HG   sing N N 66  
CYS OXT HXT  sing N N 67  
GLN N   CA   sing N N 68  
GLN N   H    sing N N 69  
GLN N   H2   sing N N 70  
GLN CA  C    sing N N 71  
GLN CA  CB   sing N N 72  
GLN CA  HA   sing N N 73  
GLN C   O    doub N N 74  
GLN C   OXT  sing N N 75  
GLN CB  CG   sing N N 76  
GLN CB  HB2  sing N N 77  
GLN CB  HB3  sing N N 78  
GLN CG  CD   sing N N 79  
GLN CG  HG2  sing N N 80  
GLN CG  HG3  sing N N 81  
GLN CD  OE1  doub N N 82  
GLN CD  NE2  sing N N 83  
GLN NE2 HE21 sing N N 84  
GLN NE2 HE22 sing N N 85  
GLN OXT HXT  sing N N 86  
GLU N   CA   sing N N 87  
GLU N   H    sing N N 88  
GLU N   H2   sing N N 89  
GLU CA  C    sing N N 90  
GLU CA  CB   sing N N 91  
GLU CA  HA   sing N N 92  
GLU C   O    doub N N 93  
GLU C   OXT  sing N N 94  
GLU CB  CG   sing N N 95  
GLU CB  HB2  sing N N 96  
GLU CB  HB3  sing N N 97  
GLU CG  CD   sing N N 98  
GLU CG  HG2  sing N N 99  
GLU CG  HG3  sing N N 100 
GLU CD  OE1  doub N N 101 
GLU CD  OE2  sing N N 102 
GLU OE2 HE2  sing N N 103 
GLU OXT HXT  sing N N 104 
GLY N   CA   sing N N 105 
GLY N   H    sing N N 106 
GLY N   H2   sing N N 107 
GLY CA  C    sing N N 108 
GLY CA  HA2  sing N N 109 
GLY CA  HA3  sing N N 110 
GLY C   O    doub N N 111 
GLY C   OXT  sing N N 112 
GLY OXT HXT  sing N N 113 
HIS N   CA   sing N N 114 
HIS N   H    sing N N 115 
HIS N   H2   sing N N 116 
HIS CA  C    sing N N 117 
HIS CA  CB   sing N N 118 
HIS CA  HA   sing N N 119 
HIS C   O    doub N N 120 
HIS C   OXT  sing N N 121 
HIS CB  CG   sing N N 122 
HIS CB  HB2  sing N N 123 
HIS CB  HB3  sing N N 124 
HIS CG  ND1  sing Y N 125 
HIS CG  CD2  doub Y N 126 
HIS ND1 CE1  doub Y N 127 
HIS ND1 HD1  sing N N 128 
HIS CD2 NE2  sing Y N 129 
HIS CD2 HD2  sing N N 130 
HIS CE1 NE2  sing Y N 131 
HIS CE1 HE1  sing N N 132 
HIS NE2 HE2  sing N N 133 
HIS OXT HXT  sing N N 134 
HOH O   H1   sing N N 135 
HOH O   H2   sing N N 136 
ILE N   CA   sing N N 137 
ILE N   H    sing N N 138 
ILE N   H2   sing N N 139 
ILE CA  C    sing N N 140 
ILE CA  CB   sing N N 141 
ILE CA  HA   sing N N 142 
ILE C   O    doub N N 143 
ILE C   OXT  sing N N 144 
ILE CB  CG1  sing N N 145 
ILE CB  CG2  sing N N 146 
ILE CB  HB   sing N N 147 
ILE CG1 CD1  sing N N 148 
ILE CG1 HG12 sing N N 149 
ILE CG1 HG13 sing N N 150 
ILE CG2 HG21 sing N N 151 
ILE CG2 HG22 sing N N 152 
ILE CG2 HG23 sing N N 153 
ILE CD1 HD11 sing N N 154 
ILE CD1 HD12 sing N N 155 
ILE CD1 HD13 sing N N 156 
ILE OXT HXT  sing N N 157 
LEU N   CA   sing N N 158 
LEU N   H    sing N N 159 
LEU N   H2   sing N N 160 
LEU CA  C    sing N N 161 
LEU CA  CB   sing N N 162 
LEU CA  HA   sing N N 163 
LEU C   O    doub N N 164 
LEU C   OXT  sing N N 165 
LEU CB  CG   sing N N 166 
LEU CB  HB2  sing N N 167 
LEU CB  HB3  sing N N 168 
LEU CG  CD1  sing N N 169 
LEU CG  CD2  sing N N 170 
LEU CG  HG   sing N N 171 
LEU CD1 HD11 sing N N 172 
LEU CD1 HD12 sing N N 173 
LEU CD1 HD13 sing N N 174 
LEU CD2 HD21 sing N N 175 
LEU CD2 HD22 sing N N 176 
LEU CD2 HD23 sing N N 177 
LEU OXT HXT  sing N N 178 
LYS N   CA   sing N N 179 
LYS N   H    sing N N 180 
LYS N   H2   sing N N 181 
LYS CA  C    sing N N 182 
LYS CA  CB   sing N N 183 
LYS CA  HA   sing N N 184 
LYS C   O    doub N N 185 
LYS C   OXT  sing N N 186 
LYS CB  CG   sing N N 187 
LYS CB  HB2  sing N N 188 
LYS CB  HB3  sing N N 189 
LYS CG  CD   sing N N 190 
LYS CG  HG2  sing N N 191 
LYS CG  HG3  sing N N 192 
LYS CD  CE   sing N N 193 
LYS CD  HD2  sing N N 194 
LYS CD  HD3  sing N N 195 
LYS CE  NZ   sing N N 196 
LYS CE  HE2  sing N N 197 
LYS CE  HE3  sing N N 198 
LYS NZ  HZ1  sing N N 199 
LYS NZ  HZ2  sing N N 200 
LYS NZ  HZ3  sing N N 201 
LYS OXT HXT  sing N N 202 
PHE N   CA   sing N N 203 
PHE N   H    sing N N 204 
PHE N   H2   sing N N 205 
PHE CA  C    sing N N 206 
PHE CA  CB   sing N N 207 
PHE CA  HA   sing N N 208 
PHE C   O    doub N N 209 
PHE C   OXT  sing N N 210 
PHE CB  CG   sing N N 211 
PHE CB  HB2  sing N N 212 
PHE CB  HB3  sing N N 213 
PHE CG  CD1  doub Y N 214 
PHE CG  CD2  sing Y N 215 
PHE CD1 CE1  sing Y N 216 
PHE CD1 HD1  sing N N 217 
PHE CD2 CE2  doub Y N 218 
PHE CD2 HD2  sing N N 219 
PHE CE1 CZ   doub Y N 220 
PHE CE1 HE1  sing N N 221 
PHE CE2 CZ   sing Y N 222 
PHE CE2 HE2  sing N N 223 
PHE CZ  HZ   sing N N 224 
PHE OXT HXT  sing N N 225 
PRO N   CA   sing N N 226 
PRO N   CD   sing N N 227 
PRO N   H    sing N N 228 
PRO CA  C    sing N N 229 
PRO CA  CB   sing N N 230 
PRO CA  HA   sing N N 231 
PRO C   O    doub N N 232 
PRO C   OXT  sing N N 233 
PRO CB  CG   sing N N 234 
PRO CB  HB2  sing N N 235 
PRO CB  HB3  sing N N 236 
PRO CG  CD   sing N N 237 
PRO CG  HG2  sing N N 238 
PRO CG  HG3  sing N N 239 
PRO CD  HD2  sing N N 240 
PRO CD  HD3  sing N N 241 
PRO OXT HXT  sing N N 242 
SER N   CA   sing N N 243 
SER N   H    sing N N 244 
SER N   H2   sing N N 245 
SER CA  C    sing N N 246 
SER CA  CB   sing N N 247 
SER CA  HA   sing N N 248 
SER C   O    doub N N 249 
SER C   OXT  sing N N 250 
SER CB  OG   sing N N 251 
SER CB  HB2  sing N N 252 
SER CB  HB3  sing N N 253 
SER OG  HG   sing N N 254 
SER OXT HXT  sing N N 255 
SO4 S   O1   doub N N 256 
SO4 S   O2   doub N N 257 
SO4 S   O3   sing N N 258 
SO4 S   O4   sing N N 259 
THR N   CA   sing N N 260 
THR N   H    sing N N 261 
THR N   H2   sing N N 262 
THR CA  C    sing N N 263 
THR CA  CB   sing N N 264 
THR CA  HA   sing N N 265 
THR C   O    doub N N 266 
THR C   OXT  sing N N 267 
THR CB  OG1  sing N N 268 
THR CB  CG2  sing N N 269 
THR CB  HB   sing N N 270 
THR OG1 HG1  sing N N 271 
THR CG2 HG21 sing N N 272 
THR CG2 HG22 sing N N 273 
THR CG2 HG23 sing N N 274 
THR OXT HXT  sing N N 275 
TYR N   CA   sing N N 276 
TYR N   H    sing N N 277 
TYR N   H2   sing N N 278 
TYR CA  C    sing N N 279 
TYR CA  CB   sing N N 280 
TYR CA  HA   sing N N 281 
TYR C   O    doub N N 282 
TYR C   OXT  sing N N 283 
TYR CB  CG   sing N N 284 
TYR CB  HB2  sing N N 285 
TYR CB  HB3  sing N N 286 
TYR CG  CD1  doub Y N 287 
TYR CG  CD2  sing Y N 288 
TYR CD1 CE1  sing Y N 289 
TYR CD1 HD1  sing N N 290 
TYR CD2 CE2  doub Y N 291 
TYR CD2 HD2  sing N N 292 
TYR CE1 CZ   doub Y N 293 
TYR CE1 HE1  sing N N 294 
TYR CE2 CZ   sing Y N 295 
TYR CE2 HE2  sing N N 296 
TYR CZ  OH   sing N N 297 
TYR OH  HH   sing N N 298 
TYR OXT HXT  sing N N 299 
VAL N   CA   sing N N 300 
VAL N   H    sing N N 301 
VAL N   H2   sing N N 302 
VAL CA  C    sing N N 303 
VAL CA  CB   sing N N 304 
VAL CA  HA   sing N N 305 
VAL C   O    doub N N 306 
VAL C   OXT  sing N N 307 
VAL CB  CG1  sing N N 308 
VAL CB  CG2  sing N N 309 
VAL CB  HB   sing N N 310 
VAL CG1 HG11 sing N N 311 
VAL CG1 HG12 sing N N 312 
VAL CG1 HG13 sing N N 313 
VAL CG2 HG21 sing N N 314 
VAL CG2 HG22 sing N N 315 
VAL CG2 HG23 sing N N 316 
VAL OXT HXT  sing N N 317 
# 
_pdbx_audit_support.funding_organization   'Other government' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   5VIZ 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9M51 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.012778 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_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]   0.012778 
_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]   0.012778 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
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   . GLY A 1 1  ? -27.353 6.142   -11.757 1.00 64.31 ?  1   GLY A N   1 
ATOM   2   C CA  . GLY A 1 1  ? -26.416 5.730   -10.727 1.00 57.41 ?  1   GLY A CA  1 
ATOM   3   C C   . GLY A 1 1  ? -25.680 4.448   -11.064 1.00 49.81 ?  1   GLY A C   1 
ATOM   4   O O   . GLY A 1 1  ? -25.730 3.980   -12.200 1.00 48.16 ?  1   GLY A O   1 
ATOM   5   N N   . ILE A 1 2  ? -25.003 3.869   -10.069 1.00 44.30 ?  2   ILE A N   1 
ATOM   6   C CA  . ILE A 1 2  ? -24.159 2.709   -10.343 1.00 41.67 ?  2   ILE A CA  1 
ATOM   7   C C   . ILE A 1 2  ? -24.981 1.488   -10.733 1.00 38.05 ?  2   ILE A C   1 
ATOM   8   O O   . ILE A 1 2  ? -24.528 0.661   -11.533 1.00 39.15 ?  2   ILE A O   1 
ATOM   9   C CB  . ILE A 1 2  ? -23.185 2.421   -9.188  1.00 40.89 ?  2   ILE A CB  1 
ATOM   10  C CG1 . ILE A 1 2  ? -22.123 1.418   -9.644  1.00 36.14 ?  2   ILE A CG1 1 
ATOM   11  C CG2 . ILE A 1 2  ? -23.931 1.896   -7.971  1.00 36.52 ?  2   ILE A CG2 1 
ATOM   12  C CD1 . ILE A 1 2  ? -21.136 1.041   -8.566  1.00 35.66 ?  2   ILE A CD1 1 
ATOM   13  N N   . VAL A 1 3  ? -26.185 1.337   -10.180 1.00 39.13 ?  3   VAL A N   1 
ATOM   14  C CA  . VAL A 1 3  ? -26.987 0.157   -10.490 1.00 41.76 ?  3   VAL A CA  1 
ATOM   15  C C   . VAL A 1 3  ? -27.379 0.136   -11.962 1.00 44.43 ?  3   VAL A C   1 
ATOM   16  O O   . VAL A 1 3  ? -27.338 -0.914  -12.615 1.00 43.38 ?  3   VAL A O   1 
ATOM   17  C CB  . VAL A 1 3  ? -28.209 0.072   -9.563  1.00 43.30 ?  3   VAL A CB  1 
ATOM   18  C CG1 . VAL A 1 3  ? -29.019 -1.166  -9.888  1.00 45.64 ?  3   VAL A CG1 1 
ATOM   19  C CG2 . VAL A 1 3  ? -27.767 0.056   -8.116  1.00 42.94 ?  3   VAL A CG2 1 
ATOM   20  N N   . GLU A 1 4  ? -27.767 1.288   -12.509 1.00 43.43 ?  4   GLU A N   1 
ATOM   21  C CA  . GLU A 1 4  ? -28.213 1.323   -13.896 1.00 42.25 ?  4   GLU A CA  1 
ATOM   22  C C   . GLU A 1 4  ? -27.068 1.057   -14.863 1.00 41.00 ?  4   GLU A C   1 
ATOM   23  O O   . GLU A 1 4  ? -27.298 0.567   -15.975 1.00 46.85 ?  4   GLU A O   1 
ATOM   24  C CB  . GLU A 1 4  ? -28.891 2.658   -14.200 1.00 49.31 ?  4   GLU A CB  1 
ATOM   25  C CG  . GLU A 1 4  ? -30.183 2.917   -13.410 1.00 62.69 ?  4   GLU A CG  1 
ATOM   26  C CD  . GLU A 1 4  ? -29.940 3.421   -11.986 1.00 70.24 ?  4   GLU A CD  1 
ATOM   27  O OE1 . GLU A 1 4  ? -28.766 3.516   -11.564 1.00 62.77 ?  4   GLU A OE1 1 
ATOM   28  O OE2 . GLU A 1 4  ? -30.929 3.726   -11.284 1.00 79.08 -1 4   GLU A OE2 1 
ATOM   29  N N   . GLN A 1 5  ? -25.837 1.363   -14.466 1.00 40.16 ?  5   GLN A N   1 
ATOM   30  C CA  . GLN A 1 5  ? -24.692 1.192   -15.351 1.00 38.01 ?  5   GLN A CA  1 
ATOM   31  C C   . GLN A 1 5  ? -23.978 -0.136  -15.162 1.00 40.90 ?  5   GLN A C   1 
ATOM   32  O O   . GLN A 1 5  ? -23.286 -0.594  -16.080 1.00 37.33 ?  5   GLN A O   1 
ATOM   33  C CB  . GLN A 1 5  ? -23.685 2.325   -15.141 1.00 36.67 ?  5   GLN A CB  1 
ATOM   34  C CG  . GLN A 1 5  ? -24.208 3.673   -15.579 1.00 43.63 ?  5   GLN A CG  1 
ATOM   35  C CD  . GLN A 1 5  ? -24.747 3.643   -16.998 1.00 41.83 ?  5   GLN A CD  1 
ATOM   36  O OE1 . GLN A 1 5  ? -24.103 3.122   -17.912 1.00 43.51 ?  5   GLN A OE1 1 
ATOM   37  N NE2 . GLN A 1 5  ? -25.943 4.190   -17.187 1.00 47.15 ?  5   GLN A NE2 1 
ATOM   38  N N   . CYS A 1 6  ? -24.106 -0.754  -13.991 1.00 34.09 ?  6   CYS A N   1 
ATOM   39  C CA  . CYS A 1 6  ? -23.346 -1.951  -13.677 1.00 34.84 ?  6   CYS A CA  1 
ATOM   40  C C   . CYS A 1 6  ? -24.191 -3.167  -13.364 1.00 33.40 ?  6   CYS A C   1 
ATOM   41  O O   . CYS A 1 6  ? -23.668 -4.283  -13.425 1.00 33.79 ?  6   CYS A O   1 
ATOM   42  C CB  . CYS A 1 6  ? -22.374 -1.684  -12.520 1.00 34.66 ?  6   CYS A CB  1 
ATOM   43  S SG  . CYS A 1 6  ? -20.941 -0.803  -13.126 1.00 39.26 ?  6   CYS A SG  1 
ATOM   44  N N   . CYS A 1 7  ? -25.469 -2.993  -13.042 1.00 33.61 ?  7   CYS A N   1 
ATOM   45  C CA  . CYS A 1 7  ? -26.366 -4.106  -12.764 1.00 36.18 ?  7   CYS A CA  1 
ATOM   46  C C   . CYS A 1 7  ? -27.386 -4.329  -13.867 1.00 42.17 ?  7   CYS A C   1 
ATOM   47  O O   . CYS A 1 7  ? -27.540 -5.454  -14.350 1.00 41.31 ?  7   CYS A O   1 
ATOM   48  C CB  . CYS A 1 7  ? -27.077 -3.904  -11.419 1.00 42.55 ?  7   CYS A CB  1 
ATOM   49  S SG  . CYS A 1 7  ? -28.428 -5.083  -11.131 1.00 54.35 ?  7   CYS A SG  1 
ATOM   50  N N   . THR A 1 8  ? -28.098 -3.285  -14.285 1.00 38.06 ?  8   THR A N   1 
ATOM   51  C CA  . THR A 1 8  ? -29.025 -3.446  -15.396 1.00 39.51 ?  8   THR A CA  1 
ATOM   52  C C   . THR A 1 8  ? -28.327 -3.410  -16.756 1.00 40.66 ?  8   THR A C   1 
ATOM   53  O O   . THR A 1 8  ? -28.932 -3.805  -17.759 1.00 42.95 ?  8   THR A O   1 
ATOM   54  C CB  . THR A 1 8  ? -30.172 -2.438  -15.287 1.00 45.58 ?  8   THR A CB  1 
ATOM   55  O OG1 . THR A 1 8  ? -29.654 -1.107  -15.351 1.00 50.58 ?  8   THR A OG1 1 
ATOM   56  C CG2 . THR A 1 8  ? -30.892 -2.615  -13.962 1.00 42.80 ?  8   THR A CG2 1 
ATOM   57  N N   . SER A 1 9  ? -27.080 -2.942  -16.807 1.00 39.50 ?  9   SER A N   1 
ATOM   58  C CA  A SER A 1 9  ? -26.230 -3.064  -17.984 0.49 39.35 ?  9   SER A CA  1 
ATOM   59  C CA  B SER A 1 9  ? -26.221 -3.038  -17.980 0.51 40.57 ?  9   SER A CA  1 
ATOM   60  C C   . SER A 1 9  ? -24.880 -3.611  -17.546 1.00 39.62 ?  9   SER A C   1 
ATOM   61  O O   . SER A 1 9  ? -24.602 -3.762  -16.353 1.00 37.50 ?  9   SER A O   1 
ATOM   62  C CB  A SER A 1 9  ? -26.063 -1.727  -18.722 0.49 40.63 ?  9   SER A CB  1 
ATOM   63  C CB  B SER A 1 9  ? -26.021 -1.669  -18.645 0.51 40.73 ?  9   SER A CB  1 
ATOM   64  O OG  A SER A 1 9  ? -25.422 -0.766  -17.903 0.49 39.71 ?  9   SER A OG  1 
ATOM   65  O OG  B SER A 1 9  ? -27.256 -0.996  -18.802 0.51 41.90 ?  9   SER A OG  1 
ATOM   66  N N   . ILE A 1 10 ? -24.030 -3.929  -18.518 1.00 36.92 ?  10  ILE A N   1 
ATOM   67  C CA  . ILE A 1 10 ? -22.739 -4.533  -18.205 1.00 35.51 ?  10  ILE A CA  1 
ATOM   68  C C   . ILE A 1 10 ? -21.806 -3.476  -17.630 1.00 36.24 ?  10  ILE A C   1 
ATOM   69  O O   . ILE A 1 10 ? -21.692 -2.371  -18.170 1.00 33.83 ?  10  ILE A O   1 
ATOM   70  C CB  . ILE A 1 10 ? -22.136 -5.212  -19.442 1.00 38.53 ?  10  ILE A CB  1 
ATOM   71  C CG1 . ILE A 1 10 ? -23.044 -6.348  -19.904 1.00 38.07 ?  10  ILE A CG1 1 
ATOM   72  C CG2 . ILE A 1 10 ? -20.750 -5.750  -19.136 1.00 38.07 ?  10  ILE A CG2 1 
ATOM   73  C CD1 . ILE A 1 10 ? -22.564 -7.010  -21.166 1.00 41.11 ?  10  ILE A CD1 1 
ATOM   74  N N   . CYS A 1 11 ? -21.144 -3.815  -16.525 1.00 31.82 ?  11  CYS A N   1 
ATOM   75  C CA  . CYS A 1 11 ? -20.254 -2.902  -15.825 1.00 34.73 ?  11  CYS A CA  1 
ATOM   76  C C   . CYS A 1 11 ? -18.934 -2.752  -16.588 1.00 36.94 ?  11  CYS A C   1 
ATOM   77  O O   . CYS A 1 11 ? -18.658 -3.465  -17.556 1.00 32.68 ?  11  CYS A O   1 
ATOM   78  C CB  . CYS A 1 11 ? -19.999 -3.433  -14.416 1.00 36.91 ?  11  CYS A CB  1 
ATOM   79  S SG  . CYS A 1 11 ? -19.473 -2.225  -13.174 1.00 37.90 ?  11  CYS A SG  1 
ATOM   80  N N   . SER A 1 12 ? -18.116 -1.798  -16.146 1.00 32.50 ?  12  SER A N   1 
ATOM   81  C CA  . SER A 1 12 ? -16.769 -1.628  -16.675 1.00 35.35 ?  12  SER A CA  1 
ATOM   82  C C   . SER A 1 12 ? -15.857 -1.153  -15.555 1.00 35.12 ?  12  SER A C   1 
ATOM   83  O O   . SER A 1 12 ? -16.315 -0.605  -14.553 1.00 33.21 ?  12  SER A O   1 
ATOM   84  C CB  . SER A 1 12 ? -16.735 -0.626  -17.833 1.00 36.20 ?  12  SER A CB  1 
ATOM   85  O OG  . SER A 1 12 ? -16.972 0.692   -17.377 1.00 34.23 ?  12  SER A OG  1 
ATOM   86  N N   . LEU A 1 13 ? -14.548 -1.359  -15.733 1.00 32.54 ?  13  LEU A N   1 
ATOM   87  C CA  . LEU A 1 13 ? -13.608 -0.885  -14.722 1.00 32.80 ?  13  LEU A CA  1 
ATOM   88  C C   . LEU A 1 13 ? -13.663 0.633   -14.596 1.00 35.10 ?  13  LEU A C   1 
ATOM   89  O O   . LEU A 1 13 ? -13.573 1.175   -13.488 1.00 34.87 ?  13  LEU A O   1 
ATOM   90  C CB  . LEU A 1 13 ? -12.190 -1.356  -15.044 1.00 27.57 ?  13  LEU A CB  1 
ATOM   91  C CG  . LEU A 1 13 ? -11.135 -0.962  -14.012 1.00 29.30 ?  13  LEU A CG  1 
ATOM   92  C CD1 . LEU A 1 13 ? -11.467 -1.556  -12.682 1.00 31.38 ?  13  LEU A CD1 1 
ATOM   93  C CD2 . LEU A 1 13 ? -9.756  -1.417  -14.473 1.00 30.93 ?  13  LEU A CD2 1 
ATOM   94  N N   . TYR A 1 14 ? -13.836 1.332   -15.724 1.00 34.34 ?  14  TYR A N   1 
ATOM   95  C CA  . TYR A 1 14 ? -13.977 2.785   -15.695 1.00 34.04 ?  14  TYR A CA  1 
ATOM   96  C C   . TYR A 1 14 ? -15.166 3.202   -14.841 1.00 38.30 ?  14  TYR A C   1 
ATOM   97  O O   . TYR A 1 14 ? -15.070 4.136   -14.036 1.00 39.82 ?  14  TYR A O   1 
ATOM   98  C CB  . TYR A 1 14 ? -14.141 3.318   -17.122 1.00 39.52 ?  14  TYR A CB  1 
ATOM   99  C CG  . TYR A 1 14 ? -14.284 4.825   -17.206 1.00 45.11 ?  14  TYR A CG  1 
ATOM   100 C CD1 . TYR A 1 14 ? -15.504 5.450   -16.951 1.00 48.53 ?  14  TYR A CD1 1 
ATOM   101 C CD2 . TYR A 1 14 ? -13.202 5.623   -17.549 1.00 51.38 ?  14  TYR A CD2 1 
ATOM   102 C CE1 . TYR A 1 14 ? -15.636 6.825   -17.024 1.00 46.61 ?  14  TYR A CE1 1 
ATOM   103 C CE2 . TYR A 1 14 ? -13.328 7.000   -17.630 1.00 57.32 ?  14  TYR A CE2 1 
ATOM   104 C CZ  . TYR A 1 14 ? -14.546 7.595   -17.364 1.00 55.67 ?  14  TYR A CZ  1 
ATOM   105 O OH  . TYR A 1 14 ? -14.672 8.965   -17.447 1.00 65.16 ?  14  TYR A OH  1 
ATOM   106 N N   . GLN A 1 15 ? -16.308 2.536   -15.019 1.00 32.72 ?  15  GLN A N   1 
ATOM   107 C CA  . GLN A 1 15 ? -17.492 2.897   -14.248 1.00 34.66 ?  15  GLN A CA  1 
ATOM   108 C C   . GLN A 1 15 ? -17.289 2.646   -12.759 1.00 34.20 ?  15  GLN A C   1 
ATOM   109 O O   . GLN A 1 15 ? -17.669 3.480   -11.930 1.00 35.41 ?  15  GLN A O   1 
ATOM   110 C CB  . GLN A 1 15 ? -18.711 2.144   -14.775 1.00 38.73 ?  15  GLN A CB  1 
ATOM   111 C CG  . GLN A 1 15 ? -19.219 2.672   -16.102 1.00 39.75 ?  15  GLN A CG  1 
ATOM   112 C CD  . GLN A 1 15 ? -19.732 4.094   -15.989 1.00 44.77 ?  15  GLN A CD  1 
ATOM   113 O OE1 . GLN A 1 15 ? -20.543 4.402   -15.113 1.00 48.52 ?  15  GLN A OE1 1 
ATOM   114 N NE2 . GLN A 1 15 ? -19.253 4.974   -16.867 1.00 44.47 ?  15  GLN A NE2 1 
ATOM   115 N N   . LEU A 1 16 ? -16.690 1.511   -12.394 1.00 30.90 ?  16  LEU A N   1 
ATOM   116 C CA  . LEU A 1 16 ? -16.486 1.224   -10.977 1.00 27.97 ?  16  LEU A CA  1 
ATOM   117 C C   . LEU A 1 16 ? -15.579 2.258   -10.338 1.00 29.51 ?  16  LEU A C   1 
ATOM   118 O O   . LEU A 1 16 ? -15.838 2.716   -9.221  1.00 31.74 ?  16  LEU A O   1 
ATOM   119 C CB  . LEU A 1 16 ? -15.891 -0.170  -10.789 1.00 31.87 ?  16  LEU A CB  1 
ATOM   120 C CG  . LEU A 1 16 ? -16.802 -1.372  -11.013 1.00 34.61 ?  16  LEU A CG  1 
ATOM   121 C CD1 . LEU A 1 16 ? -15.983 -2.645  -10.978 1.00 35.27 ?  16  LEU A CD1 1 
ATOM   122 C CD2 . LEU A 1 16 ? -17.884 -1.414  -9.966  1.00 33.16 ?  16  LEU A CD2 1 
ATOM   123 N N   . GLU A 1 17 ? -14.509 2.643   -11.029 1.00 29.88 ?  17  GLU A N   1 
ATOM   124 C CA  . GLU A 1 17 ? -13.575 3.595   -10.448 1.00 31.60 ?  17  GLU A CA  1 
ATOM   125 C C   . GLU A 1 17 ? -14.182 4.981   -10.311 1.00 33.76 ?  17  GLU A C   1 
ATOM   126 O O   . GLU A 1 17 ? -13.641 5.808   -9.571  1.00 34.36 ?  17  GLU A O   1 
ATOM   127 C CB  . GLU A 1 17 ? -12.268 3.630   -11.240 1.00 32.81 ?  17  GLU A CB  1 
ATOM   128 C CG  . GLU A 1 17 ? -11.405 2.399   -11.010 1.00 36.19 ?  17  GLU A CG  1 
ATOM   129 C CD  . GLU A 1 17 ? -9.965  2.588   -11.444 1.00 40.27 ?  17  GLU A CD  1 
ATOM   130 O OE1 . GLU A 1 17 ? -9.715  3.322   -12.425 1.00 39.63 ?  17  GLU A OE1 1 
ATOM   131 O OE2 . GLU A 1 17 ? -9.072  2.003   -10.793 1.00 42.55 -1 17  GLU A OE2 1 
ATOM   132 N N   . ASN A 1 18 ? -15.292 5.253   -11.000 1.00 33.25 ?  18  ASN A N   1 
ATOM   133 C CA  . ASN A 1 18 ? -15.980 6.521   -10.800 1.00 35.97 ?  18  ASN A CA  1 
ATOM   134 C C   . ASN A 1 18 ? -16.443 6.687   -9.365  1.00 35.50 ?  18  ASN A C   1 
ATOM   135 O O   . ASN A 1 18 ? -16.649 7.823   -8.917  1.00 38.21 ?  18  ASN A O   1 
ATOM   136 C CB  . ASN A 1 18 ? -17.201 6.620   -11.713 1.00 36.61 ?  18  ASN A CB  1 
ATOM   137 C CG  . ASN A 1 18 ? -16.867 7.165   -13.079 1.00 44.67 ?  18  ASN A CG  1 
ATOM   138 O OD1 . ASN A 1 18 ? -15.862 7.856   -13.263 1.00 47.52 ?  18  ASN A OD1 1 
ATOM   139 N ND2 . ASN A 1 18 ? -17.724 6.871   -14.053 1.00 49.21 ?  18  ASN A ND2 1 
ATOM   140 N N   . TYR A 1 19 ? -16.617 5.588   -8.642  1.00 32.55 ?  19  TYR A N   1 
ATOM   141 C CA  . TYR A 1 19 ? -17.163 5.621   -7.295  1.00 38.25 ?  19  TYR A CA  1 
ATOM   142 C C   . TYR A 1 19 ? -16.132 5.375   -6.204  1.00 37.49 ?  19  TYR A C   1 
ATOM   143 O O   . TYR A 1 19 ? -16.504 5.319   -5.030  1.00 39.74 ?  19  TYR A O   1 
ATOM   144 C CB  . TYR A 1 19 ? -18.322 4.634   -7.178  1.00 35.08 ?  19  TYR A CB  1 
ATOM   145 C CG  . TYR A 1 19 ? -19.454 4.993   -8.098  1.00 36.25 ?  19  TYR A CG  1 
ATOM   146 C CD1 . TYR A 1 19 ? -20.409 5.920   -7.715  1.00 41.75 ?  19  TYR A CD1 1 
ATOM   147 C CD2 . TYR A 1 19 ? -19.553 4.433   -9.363  1.00 36.03 ?  19  TYR A CD2 1 
ATOM   148 C CE1 . TYR A 1 19 ? -21.440 6.266   -8.556  1.00 46.61 ?  19  TYR A CE1 1 
ATOM   149 C CE2 . TYR A 1 19 ? -20.583 4.770   -10.211 1.00 41.15 ?  19  TYR A CE2 1 
ATOM   150 C CZ  . TYR A 1 19 ? -21.524 5.689   -9.802  1.00 43.17 ?  19  TYR A CZ  1 
ATOM   151 O OH  . TYR A 1 19 ? -22.558 6.036   -10.638 1.00 52.98 ?  19  TYR A OH  1 
ATOM   152 N N   . CYS A 1 20 ? -14.855 5.234   -6.548  1.00 34.25 ?  20  CYS A N   1 
ATOM   153 C CA  . CYS A 1 20 ? -13.841 5.119   -5.512  1.00 35.74 ?  20  CYS A CA  1 
ATOM   154 C C   . CYS A 1 20 ? -13.623 6.468   -4.837  1.00 41.94 ?  20  CYS A C   1 
ATOM   155 O O   . CYS A 1 20 ? -14.007 7.522   -5.354  1.00 48.29 ?  20  CYS A O   1 
ATOM   156 C CB  . CYS A 1 20 ? -12.515 4.631   -6.091  1.00 41.81 ?  20  CYS A CB  1 
ATOM   157 S SG  . CYS A 1 20 ? -12.572 3.050   -6.961  1.00 44.49 ?  20  CYS A SG  1 
ATOM   158 N N   . GLY A 1 21 ? -12.994 6.429   -3.667  1.00 45.44 ?  21  GLY A N   1 
ATOM   159 C CA  . GLY A 1 21 ? -12.733 7.642   -2.910  1.00 49.14 ?  21  GLY A CA  1 
ATOM   160 C C   . GLY A 1 21 ? -11.390 8.283   -3.219  1.00 64.23 ?  21  GLY A C   1 
ATOM   161 O O   . GLY A 1 21 ? -10.526 7.677   -3.858  1.00 66.50 ?  21  GLY A O   1 
ATOM   162 O OXT . GLY A 1 21 ? -11.124 9.428   -2.841  1.00 82.20 -1 21  GLY A OXT 1 
ATOM   163 N N   . PHE B 2 1  ? -12.881 -9.474  -14.117 1.00 53.19 ?  1   PHE B N   1 
ATOM   164 C CA  . PHE B 2 1  ? -14.084 -9.939  -13.428 1.00 57.29 ?  1   PHE B CA  1 
ATOM   165 C C   . PHE B 2 1  ? -15.149 -8.842  -13.359 1.00 52.61 ?  1   PHE B C   1 
ATOM   166 O O   . PHE B 2 1  ? -16.240 -9.053  -12.826 1.00 54.16 ?  1   PHE B O   1 
ATOM   167 C CB  . PHE B 2 1  ? -13.742 -10.430 -12.015 1.00 53.83 ?  1   PHE B CB  1 
ATOM   168 C CG  . PHE B 2 1  ? -13.201 -9.354  -11.107 1.00 50.78 ?  1   PHE B CG  1 
ATOM   169 C CD1 . PHE B 2 1  ? -11.872 -8.970  -11.179 1.00 48.77 ?  1   PHE B CD1 1 
ATOM   170 C CD2 . PHE B 2 1  ? -14.019 -8.737  -10.174 1.00 49.52 ?  1   PHE B CD2 1 
ATOM   171 C CE1 . PHE B 2 1  ? -11.370 -7.986  -10.346 1.00 49.40 ?  1   PHE B CE1 1 
ATOM   172 C CE2 . PHE B 2 1  ? -13.524 -7.749  -9.339  1.00 46.28 ?  1   PHE B CE2 1 
ATOM   173 C CZ  . PHE B 2 1  ? -12.197 -7.373  -9.425  1.00 47.71 ?  1   PHE B CZ  1 
ATOM   174 N N   . VAL B 2 2  ? -14.827 -7.667  -13.905 1.00 49.77 ?  2   VAL B N   1 
ATOM   175 C CA  . VAL B 2 2  ? -15.705 -6.505  -13.790 1.00 43.61 ?  2   VAL B CA  1 
ATOM   176 C C   . VAL B 2 2  ? -16.560 -6.265  -15.030 1.00 44.80 ?  2   VAL B C   1 
ATOM   177 O O   . VAL B 2 2  ? -17.451 -5.400  -14.995 1.00 42.24 ?  2   VAL B O   1 
ATOM   178 C CB  . VAL B 2 2  ? -14.916 -5.238  -13.394 1.00 47.57 ?  2   VAL B CB  1 
ATOM   179 C CG1 . VAL B 2 2  ? -14.128 -5.491  -12.116 1.00 43.85 ?  2   VAL B CG1 1 
ATOM   180 C CG2 . VAL B 2 2  ? -13.980 -4.820  -14.510 1.00 43.72 ?  2   VAL B CG2 1 
ATOM   181 N N   . ASN B 2 3  ? -16.335 -6.997  -16.112 1.00 42.31 ?  3   ASN B N   1 
ATOM   182 C CA  . ASN B 2 3  ? -17.090 -6.789  -17.347 1.00 44.54 ?  3   ASN B CA  1 
ATOM   183 C C   . ASN B 2 3  ? -18.264 -7.762  -17.444 1.00 45.05 ?  3   ASN B C   1 
ATOM   184 O O   . ASN B 2 3  ? -18.377 -8.571  -18.359 1.00 44.24 ?  3   ASN B O   1 
ATOM   185 C CB  . ASN B 2 3  ? -16.164 -6.877  -18.552 1.00 49.74 ?  3   ASN B CB  1 
ATOM   186 C CG  . ASN B 2 3  ? -15.048 -5.858  -18.489 1.00 51.37 ?  3   ASN B CG  1 
ATOM   187 O OD1 . ASN B 2 3  ? -15.283 -4.659  -18.639 1.00 46.50 ?  3   ASN B OD1 1 
ATOM   188 N ND2 . ASN B 2 3  ? -13.826 -6.327  -18.257 1.00 53.16 ?  3   ASN B ND2 1 
ATOM   189 N N   . GLN B 2 4  ? -19.158 -7.656  -16.466 1.00 41.34 ?  4   GLN B N   1 
ATOM   190 C CA  . GLN B 2 4  ? -20.369 -8.460  -16.421 1.00 42.34 ?  4   GLN B CA  1 
ATOM   191 C C   . GLN B 2 4  ? -21.440 -7.643  -15.711 1.00 38.77 ?  4   GLN B C   1 
ATOM   192 O O   . GLN B 2 4  ? -21.193 -6.523  -15.254 1.00 35.09 ?  4   GLN B O   1 
ATOM   193 C CB  . GLN B 2 4  ? -20.116 -9.797  -15.710 1.00 44.82 ?  4   GLN B CB  1 
ATOM   194 C CG  . GLN B 2 4  ? -19.386 -9.658  -14.383 1.00 44.29 ?  4   GLN B CG  1 
ATOM   195 C CD  . GLN B 2 4  ? -19.254 -10.974 -13.632 1.00 50.91 ?  4   GLN B CD  1 
ATOM   196 O OE1 . GLN B 2 4  ? -20.091 -11.865 -13.764 1.00 54.79 ?  4   GLN B OE1 1 
ATOM   197 N NE2 . GLN B 2 4  ? -18.199 -11.097 -12.837 1.00 54.51 ?  4   GLN B NE2 1 
ATOM   198 N N   . HIS B 2 5  ? -22.642 -8.203  -15.631 1.00 38.85 ?  5   HIS B N   1 
ATOM   199 C CA  . HIS B 2 5  ? -23.677 -7.609  -14.800 1.00 37.86 ?  5   HIS B CA  1 
ATOM   200 C C   . HIS B 2 5  ? -23.345 -7.901  -13.344 1.00 38.25 ?  5   HIS B C   1 
ATOM   201 O O   . HIS B 2 5  ? -23.157 -9.061  -12.966 1.00 41.34 ?  5   HIS B O   1 
ATOM   202 C CB  . HIS B 2 5  ? -25.041 -8.202  -15.148 1.00 40.56 ?  5   HIS B CB  1 
ATOM   203 C CG  . HIS B 2 5  ? -25.536 -7.833  -16.512 1.00 41.32 ?  5   HIS B CG  1 
ATOM   204 N ND1 . HIS B 2 5  ? -25.349 -8.640  -17.613 1.00 43.86 ?  5   HIS B ND1 1 
ATOM   205 C CD2 . HIS B 2 5  ? -26.219 -6.751  -16.950 1.00 40.13 ?  5   HIS B CD2 1 
ATOM   206 C CE1 . HIS B 2 5  ? -25.893 -8.069  -18.672 1.00 44.18 ?  5   HIS B CE1 1 
ATOM   207 N NE2 . HIS B 2 5  ? -26.427 -6.921  -18.297 1.00 42.26 ?  5   HIS B NE2 1 
ATOM   208 N N   . LEU B 2 6  ? -23.248 -6.851  -12.533 1.00 34.75 ?  6   LEU B N   1 
ATOM   209 C CA  . LEU B 2 6  ? -22.927 -6.973  -11.117 1.00 35.72 ?  6   LEU B CA  1 
ATOM   210 C C   . LEU B 2 6  ? -24.069 -6.357  -10.326 1.00 37.68 ?  6   LEU B C   1 
ATOM   211 O O   . LEU B 2 6  ? -24.297 -5.146  -10.405 1.00 40.07 ?  6   LEU B O   1 
ATOM   212 C CB  . LEU B 2 6  ? -21.626 -6.242  -10.796 1.00 34.40 ?  6   LEU B CB  1 
ATOM   213 C CG  . LEU B 2 6  ? -20.366 -6.750  -11.488 1.00 35.36 ?  6   LEU B CG  1 
ATOM   214 C CD1 . LEU B 2 6  ? -19.222 -5.793  -11.232 1.00 35.96 ?  6   LEU B CD1 1 
ATOM   215 C CD2 . LEU B 2 6  ? -20.018 -8.137  -10.990 1.00 42.69 ?  6   LEU B CD2 1 
ATOM   216 N N   . CYS B 2 7  ? -24.779 -7.179  -9.567  1.00 36.98 ?  7   CYS B N   1 
ATOM   217 C CA  . CYS B 2 7  ? -25.957 -6.717  -8.854  1.00 39.35 ?  7   CYS B CA  1 
ATOM   218 C C   . CYS B 2 7  ? -25.848 -7.071  -7.382  1.00 36.30 ?  7   CYS B C   1 
ATOM   219 O O   . CYS B 2 7  ? -25.230 -8.071  -7.008  1.00 37.54 ?  7   CYS B O   1 
ATOM   220 C CB  . CYS B 2 7  ? -27.240 -7.331  -9.436  1.00 43.92 ?  7   CYS B CB  1 
ATOM   221 S SG  . CYS B 2 7  ? -27.544 -6.925  -11.182 1.00 58.64 ?  7   CYS B SG  1 
ATOM   222 N N   . GLY B 2 8  ? -26.466 -6.241  -6.546  1.00 39.29 ?  8   GLY B N   1 
ATOM   223 C CA  . GLY B 2 8  ? -26.541 -6.569  -5.133  1.00 38.81 ?  8   GLY B CA  1 
ATOM   224 C C   . GLY B 2 8  ? -25.178 -6.578  -4.475  1.00 36.36 ?  8   GLY B C   1 
ATOM   225 O O   . GLY B 2 8  ? -24.333 -5.708  -4.718  1.00 34.78 ?  8   GLY B O   1 
ATOM   226 N N   . SER B 2 9  ? -24.959 -7.578  -3.619  1.00 33.68 ?  9   SER B N   1 
ATOM   227 C CA  . SER B 2 9  ? -23.697 -7.678  -2.901  1.00 30.23 ?  9   SER B CA  1 
ATOM   228 C C   . SER B 2 9  ? -22.518 -7.936  -3.825  1.00 33.41 ?  9   SER B C   1 
ATOM   229 O O   . SER B 2 9  ? -21.379 -7.662  -3.435  1.00 29.60 ?  9   SER B O   1 
ATOM   230 C CB  . SER B 2 9  ? -23.778 -8.792  -1.862  1.00 30.88 ?  9   SER B CB  1 
ATOM   231 O OG  . SER B 2 9  ? -23.871 -10.062 -2.487  1.00 36.87 ?  9   SER B OG  1 
ATOM   232 N N   . HIS B 2 10 ? -22.759 -8.470  -5.029  1.00 29.17 ?  10  HIS B N   1 
ATOM   233 C CA  . HIS B 2 10 ? -21.663 -8.707  -5.965  1.00 32.67 ?  10  HIS B CA  1 
ATOM   234 C C   . HIS B 2 10 ? -21.065 -7.395  -6.455  1.00 34.50 ?  10  HIS B C   1 
ATOM   235 O O   . HIS B 2 10 ? -19.848 -7.291  -6.649  1.00 34.54 ?  10  HIS B O   1 
ATOM   236 C CB  . HIS B 2 10 ? -22.153 -9.546  -7.146  1.00 38.61 ?  10  HIS B CB  1 
ATOM   237 C CG  . HIS B 2 10 ? -21.046 -10.143 -7.968  1.00 49.84 ?  10  HIS B CG  1 
ATOM   238 N ND1 . HIS B 2 10 ? -19.718 -10.060 -7.607  1.00 48.91 ?  10  HIS B ND1 1 
ATOM   239 C CD2 . HIS B 2 10 ? -21.077 -10.838 -9.133  1.00 52.08 ?  10  HIS B CD2 1 
ATOM   240 C CE1 . HIS B 2 10 ? -18.977 -10.676 -8.514  1.00 53.53 ?  10  HIS B CE1 1 
ATOM   241 N NE2 . HIS B 2 10 ? -19.776 -11.156 -9.449  1.00 52.73 ?  10  HIS B NE2 1 
ATOM   242 N N   . LEU B 2 11 ? -21.909 -6.386  -6.672  1.00 30.64 ?  11  LEU B N   1 
ATOM   243 C CA  . LEU B 2 11 ? -21.418 -5.078  -7.095  1.00 32.36 ?  11  LEU B CA  1 
ATOM   244 C C   . LEU B 2 11 ? -20.619 -4.411  -5.987  1.00 29.79 ?  11  LEU B C   1 
ATOM   245 O O   . LEU B 2 11 ? -19.588 -3.778  -6.241  1.00 28.34 ?  11  LEU B O   1 
ATOM   246 C CB  . LEU B 2 11 ? -22.601 -4.196  -7.490  1.00 35.18 ?  11  LEU B CB  1 
ATOM   247 C CG  . LEU B 2 11 ? -22.284 -2.751  -7.870  1.00 33.40 ?  11  LEU B CG  1 
ATOM   248 C CD1 . LEU B 2 11 ? -21.289 -2.723  -9.008  1.00 30.07 ?  11  LEU B CD1 1 
ATOM   249 C CD2 . LEU B 2 11 ? -23.559 -2.014  -8.247  1.00 36.67 ?  11  LEU B CD2 1 
ATOM   250 N N   . VAL B 2 12 ? -21.096 -4.527  -4.756  1.00 29.32 ?  12  VAL B N   1 
ATOM   251 C CA  . VAL B 2 12 ? -20.415 -3.924  -3.624  1.00 28.94 ?  12  VAL B CA  1 
ATOM   252 C C   . VAL B 2 12 ? -19.075 -4.614  -3.388  1.00 32.58 ?  12  VAL B C   1 
ATOM   253 O O   . VAL B 2 12 ? -18.073 -3.977  -3.041  1.00 29.49 ?  12  VAL B O   1 
ATOM   254 C CB  . VAL B 2 12 ? -21.371 -3.991  -2.420  1.00 33.88 ?  12  VAL B CB  1 
ATOM   255 C CG1 . VAL B 2 12 ? -20.644 -3.899  -1.176  1.00 37.55 ?  12  VAL B CG1 1 
ATOM   256 C CG2 . VAL B 2 12 ? -22.402 -2.871  -2.500  1.00 36.67 ?  12  VAL B CG2 1 
ATOM   257 N N   . GLU B 2 13 ? -19.033 -5.923  -3.612  1.00 31.34 ?  13  GLU B N   1 
ATOM   258 C CA  . GLU B 2 13 ? -17.796 -6.684  -3.509  1.00 30.25 ?  13  GLU B CA  1 
ATOM   259 C C   . GLU B 2 13 ? -16.813 -6.277  -4.600  1.00 33.25 ?  13  GLU B C   1 
ATOM   260 O O   . GLU B 2 13 ? -15.603 -6.185  -4.357  1.00 29.72 ?  13  GLU B O   1 
ATOM   261 C CB  . GLU B 2 13 ? -18.181 -8.157  -3.590  1.00 32.73 ?  13  GLU B CB  1 
ATOM   262 C CG  . GLU B 2 13 ? -17.101 -9.159  -3.782  1.00 40.85 ?  13  GLU B CG  1 
ATOM   263 C CD  . GLU B 2 13 ? -17.678 -10.571 -3.748  1.00 52.46 ?  13  GLU B CD  1 
ATOM   264 O OE1 . GLU B 2 13 ? -18.256 -10.955 -2.700  1.00 47.64 ?  13  GLU B OE1 1 
ATOM   265 O OE2 . GLU B 2 13 ? -17.584 -11.282 -4.777  1.00 60.72 -1 13  GLU B OE2 1 
ATOM   266 N N   . ALA B 2 14 ? -17.319 -6.001  -5.804  1.00 29.74 ?  14  ALA B N   1 
ATOM   267 C CA  . ALA B 2 14 ? -16.470 -5.509  -6.882  1.00 29.10 ?  14  ALA B CA  1 
ATOM   268 C C   . ALA B 2 14 ? -15.846 -4.161  -6.532  1.00 29.53 ?  14  ALA B C   1 
ATOM   269 O O   . ALA B 2 14 ? -14.645 -3.951  -6.738  1.00 31.58 ?  14  ALA B O   1 
ATOM   270 C CB  . ALA B 2 14 ? -17.289 -5.410  -8.168  1.00 29.82 ?  14  ALA B CB  1 
ATOM   271 N N   . LEU B 2 15 ? -16.651 -3.233  -6.001  1.00 25.41 ?  15  LEU B N   1 
ATOM   272 C CA  . LEU B 2 15 ? -16.123 -1.928  -5.611  1.00 27.74 ?  15  LEU B CA  1 
ATOM   273 C C   . LEU B 2 15 ? -15.057 -2.077  -4.539  1.00 28.72 ?  15  LEU B C   1 
ATOM   274 O O   . LEU B 2 15 ? -14.008 -1.422  -4.597  1.00 31.10 ?  15  LEU B O   1 
ATOM   275 C CB  . LEU B 2 15 ? -17.257 -1.037  -5.103  1.00 25.66 ?  15  LEU B CB  1 
ATOM   276 C CG  . LEU B 2 15 ? -18.217 -0.457  -6.135  1.00 30.94 ?  15  LEU B CG  1 
ATOM   277 C CD1 . LEU B 2 15 ? -19.484 0.025   -5.438  1.00 32.10 ?  15  LEU B CD1 1 
ATOM   278 C CD2 . LEU B 2 15 ? -17.553 0.679   -6.886  1.00 32.20 ?  15  LEU B CD2 1 
ATOM   279 N N   . TYR B 2 16 ? -15.306 -2.945  -3.557  1.00 29.74 ?  16  TYR B N   1 
ATOM   280 C CA  . TYR B 2 16 ? -14.343 -3.197  -2.490  1.00 28.86 ?  16  TYR B CA  1 
ATOM   281 C C   . TYR B 2 16 ? -12.995 -3.638  -3.051  1.00 31.46 ?  16  TYR B C   1 
ATOM   282 O O   . TYR B 2 16 ? -11.945 -3.135  -2.638  1.00 31.22 ?  16  TYR B O   1 
ATOM   283 C CB  . TYR B 2 16 ? -14.907 -4.261  -1.552  1.00 27.46 ?  16  TYR B CB  1 
ATOM   284 C CG  . TYR B 2 16 ? -13.928 -4.783  -0.525  1.00 28.63 ?  16  TYR B CG  1 
ATOM   285 C CD1 . TYR B 2 16 ? -13.575 -4.022  0.584   1.00 31.43 ?  16  TYR B CD1 1 
ATOM   286 C CD2 . TYR B 2 16 ? -13.372 -6.053  -0.652  1.00 30.55 ?  16  TYR B CD2 1 
ATOM   287 C CE1 . TYR B 2 16 ? -12.684 -4.511  1.535   1.00 32.65 ?  16  TYR B CE1 1 
ATOM   288 C CE2 . TYR B 2 16 ? -12.476 -6.544  0.283   1.00 34.88 ?  16  TYR B CE2 1 
ATOM   289 C CZ  . TYR B 2 16 ? -12.138 -5.773  1.374   1.00 33.22 ?  16  TYR B CZ  1 
ATOM   290 O OH  . TYR B 2 16 ? -11.250 -6.282  2.294   1.00 39.47 ?  16  TYR B OH  1 
ATOM   291 N N   . LEU B 2 17 ? -13.012 -4.582  -3.995  1.00 29.56 ?  17  LEU B N   1 
ATOM   292 C CA  . LEU B 2 17 ? -11.768 -5.096  -4.563  1.00 29.66 ?  17  LEU B CA  1 
ATOM   293 C C   . LEU B 2 17 ? -11.085 -4.063  -5.447  1.00 32.11 ?  17  LEU B C   1 
ATOM   294 O O   . LEU B 2 17 ? -9.860  -3.908  -5.398  1.00 33.42 ?  17  LEU B O   1 
ATOM   295 C CB  . LEU B 2 17 ? -12.051 -6.357  -5.374  1.00 31.56 ?  17  LEU B CB  1 
ATOM   296 C CG  . LEU B 2 17 ? -12.469 -7.597  -4.592  1.00 33.01 ?  17  LEU B CG  1 
ATOM   297 C CD1 . LEU B 2 17 ? -12.686 -8.764  -5.543  1.00 38.69 ?  17  LEU B CD1 1 
ATOM   298 C CD2 . LEU B 2 17 ? -11.402 -7.940  -3.566  1.00 34.22 ?  17  LEU B CD2 1 
ATOM   299 N N   . VAL B 2 18 ? -11.850 -3.371  -6.286  1.00 29.14 ?  18  VAL B N   1 
ATOM   300 C CA  . VAL B 2 18 ? -11.254 -2.421  -7.218  1.00 31.75 ?  18  VAL B CA  1 
ATOM   301 C C   . VAL B 2 18 ? -10.709 -1.203  -6.484  1.00 32.27 ?  18  VAL B C   1 
ATOM   302 O O   . VAL B 2 18 ? -9.589  -0.753  -6.753  1.00 33.69 ?  18  VAL B O   1 
ATOM   303 C CB  . VAL B 2 18 ? -12.272 -2.041  -8.308  1.00 32.40 ?  18  VAL B CB  1 
ATOM   304 C CG1 . VAL B 2 18 ? -11.832 -0.781  -9.033  1.00 36.93 ?  18  VAL B CG1 1 
ATOM   305 C CG2 . VAL B 2 18 ? -12.427 -3.196  -9.287  1.00 32.37 ?  18  VAL B CG2 1 
ATOM   306 N N   . CYS B 2 19 ? -11.476 -0.663  -5.537  1.00 31.88 ?  19  CYS B N   1 
ATOM   307 C CA  . CYS B 2 19 ? -11.113 0.612   -4.924  1.00 38.10 ?  19  CYS B CA  1 
ATOM   308 C C   . CYS B 2 19 ? -10.098 0.466   -3.797  1.00 37.70 ?  19  CYS B C   1 
ATOM   309 O O   . CYS B 2 19 ? -9.328  1.400   -3.547  1.00 40.01 ?  19  CYS B O   1 
ATOM   310 C CB  . CYS B 2 19 ? -12.359 1.338   -4.422  1.00 38.61 ?  19  CYS B CB  1 
ATOM   311 S SG  . CYS B 2 19 ? -13.548 1.749   -5.726  1.00 33.69 ?  19  CYS B SG  1 
ATOM   312 N N   . GLY B 2 20 ? -10.095 -0.666  -3.097  1.00 38.86 ?  20  GLY B N   1 
ATOM   313 C CA  . GLY B 2 20 ? -9.056  -0.908  -2.110  1.00 39.79 ?  20  GLY B CA  1 
ATOM   314 C C   . GLY B 2 20 ? -9.016  0.159   -1.034  1.00 41.49 ?  20  GLY B C   1 
ATOM   315 O O   . GLY B 2 20 ? -10.043 0.559   -0.476  1.00 40.51 ?  20  GLY B O   1 
ATOM   316 N N   . GLU B 2 21 ? -7.802  0.636   -0.740  1.00 44.11 ?  21  GLU B N   1 
ATOM   317 C CA  . GLU B 2 21 ? -7.618  1.624   0.317   1.00 47.71 ?  21  GLU B CA  1 
ATOM   318 C C   . GLU B 2 21 ? -8.300  2.948   0.006   1.00 43.07 ?  21  GLU B C   1 
ATOM   319 O O   . GLU B 2 21 ? -8.554  3.731   0.928   1.00 47.36 ?  21  GLU B O   1 
ATOM   320 C CB  . GLU B 2 21 ? -6.127  1.866   0.559   1.00 48.59 ?  21  GLU B CB  1 
ATOM   321 C CG  . GLU B 2 21 ? -5.390  0.693   1.181   1.00 58.34 ?  21  GLU B CG  1 
ATOM   322 C CD  . GLU B 2 21 ? -3.911  0.982   1.381   1.00 71.65 ?  21  GLU B CD  1 
ATOM   323 O OE1 . GLU B 2 21 ? -3.371  1.850   0.658   1.00 69.70 ?  21  GLU B OE1 1 
ATOM   324 O OE2 . GLU B 2 21 ? -3.288  0.348   2.262   1.00 75.44 -1 21  GLU B OE2 1 
ATOM   325 N N   . ARG B 2 22 ? -8.599  3.220   -1.265  1.00 42.79 ?  22  ARG B N   1 
ATOM   326 C CA  . ARG B 2 22 ? -9.288  4.455   -1.612  1.00 41.42 ?  22  ARG B CA  1 
ATOM   327 C C   . ARG B 2 22 ? -10.704 4.497   -1.062  1.00 45.31 ?  22  ARG B C   1 
ATOM   328 O O   . ARG B 2 22 ? -11.267 5.585   -0.920  1.00 47.65 ?  22  ARG B O   1 
ATOM   329 C CB  . ARG B 2 22 ? -9.348  4.617   -3.130  1.00 44.09 ?  22  ARG B CB  1 
ATOM   330 C CG  . ARG B 2 22 ? -8.038  5.021   -3.779  1.00 49.74 ?  22  ARG B CG  1 
ATOM   331 C CD  . ARG B 2 22 ? -8.187  5.125   -5.298  1.00 53.03 ?  22  ARG B CD  1 
ATOM   332 N NE  . ARG B 2 22 ? -8.358  3.820   -5.932  1.00 55.32 ?  22  ARG B NE  1 
ATOM   333 C CZ  . ARG B 2 22 ? -8.612  3.635   -7.222  1.00 53.81 ?  22  ARG B CZ  1 
ATOM   334 N NH1 . ARG B 2 22 ? -8.752  4.657   -8.054  1.00 51.68 ?  22  ARG B NH1 1 
ATOM   335 N NH2 . ARG B 2 22 ? -8.731  2.394   -7.689  1.00 48.39 ?  22  ARG B NH2 1 
ATOM   336 N N   . GLY B 2 23 ? -11.290 3.349   -0.754  1.00 45.78 ?  23  GLY B N   1 
ATOM   337 C CA  . GLY B 2 23 ? -12.677 3.307   -0.339  1.00 42.04 ?  23  GLY B CA  1 
ATOM   338 C C   . GLY B 2 23 ? -13.589 3.592   -1.521  1.00 39.70 ?  23  GLY B C   1 
ATOM   339 O O   . GLY B 2 23 ? -13.153 3.772   -2.655  1.00 36.95 ?  23  GLY B O   1 
ATOM   340 N N   . PHE B 2 24 ? -14.887 3.635   -1.239  1.00 37.48 ?  24  PHE B N   1 
ATOM   341 C CA  . PHE B 2 24 ? -15.868 3.873   -2.290  1.00 35.65 ?  24  PHE B CA  1 
ATOM   342 C C   . PHE B 2 24 ? -17.162 4.340   -1.647  1.00 36.27 ?  24  PHE B C   1 
ATOM   343 O O   . PHE B 2 24 ? -17.366 4.199   -0.439  1.00 38.47 ?  24  PHE B O   1 
ATOM   344 C CB  . PHE B 2 24 ? -16.102 2.613   -3.135  1.00 36.62 ?  24  PHE B CB  1 
ATOM   345 C CG  . PHE B 2 24 ? -16.648 1.448   -2.351  1.00 31.25 ?  24  PHE B CG  1 
ATOM   346 C CD1 . PHE B 2 24 ? -18.014 1.282   -2.190  1.00 37.00 ?  24  PHE B CD1 1 
ATOM   347 C CD2 . PHE B 2 24 ? -15.794 0.521   -1.777  1.00 33.99 ?  24  PHE B CD2 1 
ATOM   348 C CE1 . PHE B 2 24 ? -18.521 0.215   -1.470  1.00 34.02 ?  24  PHE B CE1 1 
ATOM   349 C CE2 . PHE B 2 24 ? -16.295 -0.549  -1.051  1.00 34.97 ?  24  PHE B CE2 1 
ATOM   350 C CZ  . PHE B 2 24 ? -17.662 -0.698  -0.900  1.00 30.24 ?  24  PHE B CZ  1 
ATOM   351 N N   . PHE B 2 25 ? -18.044 4.896   -2.470  1.00 37.20 ?  25  PHE B N   1 
ATOM   352 C CA  . PHE B 2 25 ? -19.409 5.170   -2.050  1.00 40.12 ?  25  PHE B CA  1 
ATOM   353 C C   . PHE B 2 25 ? -20.375 4.383   -2.922  1.00 40.19 ?  25  PHE B C   1 
ATOM   354 O O   . PHE B 2 25 ? -20.220 4.337   -4.148  1.00 42.29 ?  25  PHE B O   1 
ATOM   355 C CB  . PHE B 2 25 ? -19.741 6.674   -1.981  1.00 45.10 ?  25  PHE B CB  1 
ATOM   356 C CG  . PHE B 2 25 ? -19.827 7.368   -3.312  1.00 52.17 ?  25  PHE B CG  1 
ATOM   357 C CD1 . PHE B 2 25 ? -18.691 7.878   -3.925  1.00 54.89 ?  25  PHE B CD1 1 
ATOM   358 C CD2 . PHE B 2 25 ? -21.058 7.572   -3.927  1.00 59.05 ?  25  PHE B CD2 1 
ATOM   359 C CE1 . PHE B 2 25 ? -18.776 8.544   -5.149  1.00 55.26 ?  25  PHE B CE1 1 
ATOM   360 C CE2 . PHE B 2 25 ? -21.151 8.238   -5.151  1.00 56.91 ?  25  PHE B CE2 1 
ATOM   361 C CZ  . PHE B 2 25 ? -20.008 8.726   -5.763  1.00 57.02 ?  25  PHE B CZ  1 
ATOM   362 N N   . TYR B 2 26 ? -21.334 3.730   -2.280  1.00 38.32 ?  26  TYR B N   1 
ATOM   363 C CA  . TYR B 2 26 ? -22.331 2.902   -2.944  1.00 39.11 ?  26  TYR B CA  1 
ATOM   364 C C   . TYR B 2 26 ? -23.670 3.605   -2.786  1.00 42.97 ?  26  TYR B C   1 
ATOM   365 O O   . TYR B 2 26 ? -24.171 3.746   -1.667  1.00 38.91 ?  26  TYR B O   1 
ATOM   366 C CB  . TYR B 2 26 ? -22.371 1.514   -2.312  1.00 32.95 ?  26  TYR B CB  1 
ATOM   367 C CG  . TYR B 2 26 ? -23.466 0.643   -2.862  1.00 33.55 ?  26  TYR B CG  1 
ATOM   368 C CD1 . TYR B 2 26 ? -23.396 0.146   -4.152  1.00 35.49 ?  26  TYR B CD1 1 
ATOM   369 C CD2 . TYR B 2 26 ? -24.573 0.319   -2.095  1.00 37.45 ?  26  TYR B CD2 1 
ATOM   370 C CE1 . TYR B 2 26 ? -24.401 -0.653  -4.665  1.00 40.86 ?  26  TYR B CE1 1 
ATOM   371 C CE2 . TYR B 2 26 ? -25.580 -0.477  -2.596  1.00 34.90 ?  26  TYR B CE2 1 
ATOM   372 C CZ  . TYR B 2 26 ? -25.490 -0.962  -3.878  1.00 38.20 ?  26  TYR B CZ  1 
ATOM   373 O OH  . TYR B 2 26 ? -26.496 -1.757  -4.378  1.00 45.22 ?  26  TYR B OH  1 
ATOM   374 N N   . THR B 2 27 ? -24.240 4.056   -3.903  1.00 39.70 ?  27  THR B N   1 
ATOM   375 C CA  . THR B 2 27 ? -25.487 4.819   -3.907  1.00 46.49 ?  27  THR B CA  1 
ATOM   376 C C   . THR B 2 27 ? -26.437 4.191   -4.916  1.00 51.28 ?  27  THR B C   1 
ATOM   377 O O   . THR B 2 27 ? -26.478 4.597   -6.087  1.00 54.10 ?  27  THR B O   1 
ATOM   378 C CB  . THR B 2 27 ? -25.227 6.290   -4.229  1.00 53.61 ?  27  THR B CB  1 
ATOM   379 O OG1 . THR B 2 27 ? -24.266 6.814   -3.303  1.00 53.25 ?  27  THR B OG1 1 
ATOM   380 C CG2 . THR B 2 27 ? -26.513 7.096   -4.128  1.00 52.78 ?  27  THR B CG2 1 
ATOM   381 N N   . PRO B 2 28 ? -27.205 3.180   -4.505  1.00 47.94 ?  28  PRO B N   1 
ATOM   382 C CA  . PRO B 2 28 ? -28.148 2.554   -5.441  1.00 53.63 ?  28  PRO B CA  1 
ATOM   383 C C   . PRO B 2 28 ? -29.268 3.478   -5.865  1.00 62.19 ?  28  PRO B C   1 
ATOM   384 O O   . PRO B 2 28 ? -29.886 3.226   -6.908  1.00 65.33 ?  28  PRO B O   1 
ATOM   385 C CB  . PRO B 2 28 ? -28.683 1.359   -4.649  1.00 47.73 ?  28  PRO B CB  1 
ATOM   386 C CG  . PRO B 2 28 ? -28.614 1.816   -3.236  1.00 47.92 ?  28  PRO B CG  1 
ATOM   387 C CD  . PRO B 2 28 ? -27.376 2.672   -3.134  1.00 47.02 ?  28  PRO B CD  1 
ATOM   388 N N   . LYS B 2 29 ? -29.542 4.527   -5.088  1.00 71.35 ?  29  LYS B N   1 
ATOM   389 C CA  . LYS B 2 29 ? -30.611 5.495   -5.348  1.00 75.87 ?  29  LYS B CA  1 
ATOM   390 C C   . LYS B 2 29 ? -31.993 4.876   -5.170  1.00 86.24 ?  29  LYS B C   1 
ATOM   391 O O   . LYS B 2 29 ? -32.135 3.808   -4.574  1.00 91.61 ?  29  LYS B O   1 
ATOM   392 C CB  . LYS B 2 29 ? -30.484 6.112   -6.743  1.00 78.66 ?  29  LYS B CB  1 
ATOM   393 C CG  . LYS B 2 29 ? -29.102 6.644   -7.077  1.00 76.84 ?  29  LYS B CG  1 
ATOM   394 C CD  . LYS B 2 29 ? -28.976 6.861   -8.572  1.00 79.89 ?  29  LYS B CD  1 
ATOM   395 C CE  . LYS B 2 29 ? -30.230 7.518   -9.140  1.00 85.94 ?  29  LYS B CE  1 
ATOM   396 N NZ  . LYS B 2 29 ? -30.117 7.796   -10.600 1.00 86.86 ?  29  LYS B NZ  1 
HETATM 397 S S   . SO4 C 3 .  ? -14.339 -10.129 -17.275 1.00 97.81 ?  101 SO4 B S   1 
HETATM 398 O O1  . SO4 C 3 .  ? -14.562 -10.536 -18.663 1.00 74.95 ?  101 SO4 B O1  1 
HETATM 399 O O2  . SO4 C 3 .  ? -14.070 -8.696  -17.210 1.00 73.83 -1 101 SO4 B O2  1 
HETATM 400 O O3  . SO4 C 3 .  ? -15.535 -10.421 -16.487 1.00 71.82 ?  101 SO4 B O3  1 
HETATM 401 O O4  . SO4 C 3 .  ? -13.188 -10.853 -16.736 1.00 73.68 ?  101 SO4 B O4  1 
HETATM 402 O O   . HOH D 4 .  ? -29.056 0.162   -17.880 1.00 50.34 ?  101 HOH A O   1 
HETATM 403 O O   . HOH D 4 .  ? -22.973 0.073   -18.353 1.00 38.74 ?  102 HOH A O   1 
HETATM 404 O O   . HOH D 4 .  ? -13.253 0.637   -18.586 1.00 43.89 ?  103 HOH A O   1 
HETATM 405 O O   . HOH D 4 .  ? -20.023 9.629   -10.190 1.00 50.42 ?  104 HOH A O   1 
HETATM 406 O O   . HOH E 4 .  ? -26.385 -3.570  -5.995  1.00 54.13 ?  201 HOH B O   1 
HETATM 407 O O   . HOH E 4 .  ? -12.075 -0.960  -0.691  1.00 39.33 ?  202 HOH B O   1 
HETATM 408 O O   . HOH E 4 .  ? -18.123 -13.527 -2.386  1.00 40.51 ?  203 HOH B O   1 
HETATM 409 O O   . HOH E 4 .  ? -28.123 3.681   -8.819  1.00 55.27 ?  204 HOH B O   1 
HETATM 410 O O   . HOH E 4 .  ? -9.457  -4.785  -0.869  1.00 45.86 ?  205 HOH B O   1 
HETATM 411 O O   . HOH E 4 .  ? -7.771  -7.771  -7.771  0.33 50.85 ?  206 HOH B O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1   N N   . GLY A 1  ? 0.7375 0.9238 0.7821 0.0888  0.0239  0.0370  1   GLY A N   
2   C CA  . GLY A 1  ? 0.6851 0.8247 0.6714 0.0798  0.0360  0.0377  1   GLY A CA  
3   C C   . GLY A 1  ? 0.5995 0.7278 0.5651 0.0619  0.0257  0.0419  1   GLY A C   
4   O O   . GLY A 1  ? 0.5650 0.7149 0.5498 0.0574  0.0099  0.0429  1   GLY A O   
5   N N   . ILE A 2  ? 0.5574 0.6455 0.4804 0.0507  0.0336  0.0443  2   ILE A N   
6   C CA  . ILE A 2  ? 0.5345 0.6059 0.4428 0.0373  0.0220  0.0490  2   ILE A CA  
7   C C   . ILE A 2  ? 0.4722 0.5689 0.4046 0.0218  0.0275  0.0443  2   ILE A C   
8   O O   . ILE A 2  ? 0.4860 0.5813 0.4202 0.0153  0.0154  0.0447  2   ILE A O   
9   C CB  . ILE A 2  ? 0.5582 0.5758 0.4195 0.0289  0.0202  0.0562  2   ILE A CB  
10  C CG1 . ILE A 2  ? 0.5028 0.5053 0.3650 0.0219  0.0038  0.0624  2   ILE A CG1 
11  C CG2 . ILE A 2  ? 0.5177 0.5163 0.3537 0.0131  0.0422  0.0533  2   ILE A CG2 
12  C CD1 . ILE A 2  ? 0.5262 0.4756 0.3533 0.0124  -0.0069 0.0731  2   ILE A CD1 
13  N N   . VAL A 3  ? 0.4724 0.5900 0.4244 0.0147  0.0476  0.0396  3   VAL A N   
14  C CA  . VAL A 3  ? 0.4896 0.6303 0.4669 -0.0037 0.0508  0.0372  3   VAL A CA  
15  C C   . VAL A 3  ? 0.4991 0.6754 0.5135 -0.0011 0.0297  0.0357  3   VAL A C   
16  O O   . VAL A 3  ? 0.4876 0.6610 0.4995 -0.0155 0.0184  0.0348  3   VAL A O   
17  C CB  . VAL A 3  ? 0.4958 0.6551 0.4945 -0.0133 0.0809  0.0337  3   VAL A CB  
18  C CG1 . VAL A 3  ? 0.5074 0.6909 0.5359 -0.0357 0.0813  0.0336  3   VAL A CG1 
19  C CG2 . VAL A 3  ? 0.5276 0.6359 0.4680 -0.0208 0.1013  0.0352  3   VAL A CG2 
20  N N   . GLU A 4  ? 0.4679 0.6708 0.5112 0.0157  0.0217  0.0356  4   GLU A N   
21  C CA  . GLU A 4  ? 0.4353 0.6642 0.5058 0.0145  -0.0037 0.0365  4   GLU A CA  
22  C C   . GLU A 4  ? 0.4445 0.6423 0.4712 0.0133  -0.0214 0.0371  4   GLU A C   
23  O O   . GLU A 4  ? 0.5182 0.7187 0.5431 0.0026  -0.0396 0.0359  4   GLU A O   
24  C CB  . GLU A 4  ? 0.5006 0.7597 0.6130 0.0328  -0.0119 0.0385  4   GLU A CB  
25  C CG  . GLU A 4  ? 0.6368 0.9342 0.8110 0.0358  0.0098  0.0362  4   GLU A CG  
26  C CD  . GLU A 4  ? 0.7473 1.0227 0.8988 0.0457  0.0449  0.0315  4   GLU A CD  
27  O OE1 . GLU A 4  ? 0.6889 0.9186 0.7774 0.0480  0.0459  0.0322  4   GLU A OE1 
28  O OE2 . GLU A 4  ? 0.8357 1.1364 1.0324 0.0501  0.0718  0.0271  4   GLU A OE2 
29  N N   . GLN A 5  ? 0.4563 0.6219 0.4477 0.0226  -0.0156 0.0390  5   GLN A N   
30  C CA  . GLN A 5  ? 0.4480 0.5877 0.4086 0.0234  -0.0249 0.0394  5   GLN A CA  
31  C C   . GLN A 5  ? 0.5006 0.6118 0.4418 0.0119  -0.0174 0.0365  5   GLN A C   
32  O O   . GLN A 5  ? 0.4675 0.5600 0.3908 0.0093  -0.0201 0.0330  5   GLN A O   
33  C CB  . GLN A 5  ? 0.4410 0.5652 0.3872 0.0398  -0.0255 0.0455  5   GLN A CB  
34  C CG  . GLN A 5  ? 0.5182 0.6616 0.4779 0.0522  -0.0371 0.0487  5   GLN A CG  
35  C CD  . GLN A 5  ? 0.4909 0.6463 0.4521 0.0453  -0.0558 0.0479  5   GLN A CD  
36  O OE1 . GLN A 5  ? 0.5291 0.6639 0.4601 0.0365  -0.0586 0.0459  5   GLN A OE1 
37  N NE2 . GLN A 5  ? 0.5369 0.7217 0.5330 0.0484  -0.0689 0.0495  5   GLN A NE2 
38  N N   . CYS A 6  ? 0.4171 0.5192 0.3589 0.0047  -0.0067 0.0377  6   CYS A N   
39  C CA  . CYS A 6  ? 0.4429 0.5119 0.3688 -0.0045 -0.0039 0.0375  6   CYS A CA  
40  C C   . CYS A 6  ? 0.4237 0.4927 0.3526 -0.0245 -0.0002 0.0342  6   CYS A C   
41  O O   . CYS A 6  ? 0.4423 0.4822 0.3592 -0.0330 -0.0017 0.0323  6   CYS A O   
42  C CB  . CYS A 6  ? 0.4550 0.4947 0.3673 0.0015  -0.0022 0.0464  6   CYS A CB  
43  S SG  . CYS A 6  ? 0.5161 0.5456 0.4301 0.0194  -0.0094 0.0516  6   CYS A SG  
44  N N   . CYS A 7  ? 0.4089 0.5092 0.3588 -0.0322 0.0054  0.0338  7   CYS A N   
45  C CA  . CYS A 7  ? 0.4369 0.5420 0.3957 -0.0544 0.0097  0.0323  7   CYS A CA  
46  C C   . CYS A 7  ? 0.4929 0.6298 0.4795 -0.0643 -0.0033 0.0282  7   CYS A C   
47  O O   . CYS A 7  ? 0.4901 0.6118 0.4675 -0.0817 -0.0119 0.0248  7   CYS A O   
48  C CB  . CYS A 7  ? 0.5123 0.6264 0.4779 -0.0613 0.0305  0.0363  7   CYS A CB  
49  S SG  . CYS A 7  ? 0.6470 0.7806 0.6376 -0.0915 0.0402  0.0363  7   CYS A SG  
50  N N   . THR A 8  ? 0.4169 0.5927 0.4367 -0.0546 -0.0088 0.0294  8   THR A N   
51  C CA  . THR A 8  ? 0.4181 0.6190 0.4642 -0.0657 -0.0307 0.0287  8   THR A CA  
52  C C   . THR A 8  ? 0.4550 0.6282 0.4618 -0.0631 -0.0515 0.0247  8   THR A C   
53  O O   . THR A 8  ? 0.4842 0.6579 0.4900 -0.0785 -0.0742 0.0235  8   THR A O   
54  C CB  . THR A 8  ? 0.4566 0.7101 0.5650 -0.0581 -0.0320 0.0335  8   THR A CB  
55  O OG1 . THR A 8  ? 0.5216 0.7756 0.6245 -0.0331 -0.0323 0.0347  8   THR A OG1 
56  C CG2 . THR A 8  ? 0.4023 0.6784 0.5456 -0.0641 -0.0019 0.0350  8   THR A CG2 
57  N N   . SER A 9  ? 0.4607 0.6066 0.4333 -0.0464 -0.0440 0.0231  9   SER A N   
58  C CA  A SER A 9  ? 0.4851 0.5963 0.4136 -0.0457 -0.0518 0.0176  9   SER A CA  
59  C CA  B SER A 9  ? 0.5003 0.6119 0.4291 -0.0453 -0.0517 0.0177  9   SER A CA  
60  C C   . SER A 9  ? 0.5087 0.5834 0.4132 -0.0385 -0.0331 0.0141  9   SER A C   
61  O O   . SER A 9  ? 0.4779 0.5518 0.3951 -0.0344 -0.0215 0.0185  9   SER A O   
62  C CB  A SER A 9  ? 0.5005 0.6202 0.4231 -0.0322 -0.0630 0.0216  9   SER A CB  
63  C CB  B SER A 9  ? 0.5011 0.6216 0.4250 -0.0307 -0.0617 0.0220  9   SER A CB  
64  O OG  A SER A 9  ? 0.4826 0.6100 0.4164 -0.0120 -0.0501 0.0271  9   SER A OG  
65  O OG  B SER A 9  ? 0.4902 0.6489 0.4528 -0.0322 -0.0809 0.0282  9   SER A OG  
66  N N   . ILE A 10 ? 0.4978 0.5381 0.3672 -0.0379 -0.0300 0.0066  10  ILE A N   
67  C CA  . ILE A 10 ? 0.4932 0.5009 0.3551 -0.0299 -0.0123 0.0033  10  ILE A CA  
68  C C   . ILE A 10 ? 0.4939 0.5107 0.3723 -0.0101 -0.0051 0.0127  10  ILE A C   
69  O O   . ILE A 10 ? 0.4612 0.4902 0.3342 -0.0020 -0.0082 0.0159  10  ILE A O   
70  C CB  . ILE A 10 ? 0.5578 0.5245 0.3817 -0.0345 -0.0036 -0.0099 10  ILE A CB  
71  C CG1 . ILE A 10 ? 0.5658 0.5135 0.3670 -0.0569 -0.0146 -0.0189 10  ILE A CG1 
72  C CG2 . ILE A 10 ? 0.5578 0.4963 0.3925 -0.0218 0.0172  -0.0128 10  ILE A CG2 
73  C CD1 . ILE A 10 ? 0.6389 0.5351 0.3880 -0.0640 -0.0050 -0.0348 10  ILE A CD1 
74  N N   . CYS A 11 ? 0.4359 0.4418 0.3315 -0.0049 0.0003  0.0186  11  CYS A N   
75  C CA  . CYS A 11 ? 0.4669 0.4752 0.3775 0.0100  0.0011  0.0297  11  CYS A CA  
76  C C   . CYS A 11 ? 0.4983 0.4910 0.4142 0.0209  0.0118  0.0285  11  CYS A C   
77  O O   . CYS A 11 ? 0.4544 0.4286 0.3586 0.0178  0.0239  0.0171  11  CYS A O   
78  C CB  . CYS A 11 ? 0.4970 0.4885 0.4168 0.0069  -0.0026 0.0382  11  CYS A CB  
79  S SG  . CYS A 11 ? 0.5090 0.4989 0.4319 0.0165  -0.0109 0.0537  11  CYS A SG  
80  N N   . SER A 12 ? 0.4347 0.4323 0.3676 0.0326  0.0095  0.0400  12  SER A N   
81  C CA  . SER A 12 ? 0.4674 0.4551 0.4207 0.0424  0.0217  0.0423  12  SER A CA  
82  C C   . SER A 12 ? 0.4549 0.4391 0.4405 0.0500  0.0096  0.0593  12  SER A C   
83  O O   . SER A 12 ? 0.4335 0.4202 0.4083 0.0480  -0.0068 0.0680  12  SER A O   
84  C CB  . SER A 12 ? 0.4812 0.4796 0.4145 0.0446  0.0295  0.0400  12  SER A CB  
85  O OG  . SER A 12 ? 0.4508 0.4670 0.3826 0.0493  0.0141  0.0515  12  SER A OG  
86  N N   . LEU A 13 ? 0.3774 0.5446 0.3146 -0.0394 0.0808  0.0647  13  LEU A N   
87  C CA  . LEU A 13 ? 0.3848 0.5230 0.3383 -0.0552 0.0846  0.0668  13  LEU A CA  
88  C C   . LEU A 13 ? 0.4375 0.5215 0.3748 -0.0563 0.0775  0.0884  13  LEU A C   
89  O O   . LEU A 13 ? 0.4410 0.4921 0.3917 -0.0572 0.0711  0.0812  13  LEU A O   
90  C CB  . LEU A 13 ? 0.3062 0.4702 0.2712 -0.0777 0.0999  0.0675  13  LEU A CB  
91  C CG  . LEU A 13 ? 0.3275 0.4713 0.3147 -0.0953 0.1022  0.0665  13  LEU A CG  
92  C CD1 . LEU A 13 ? 0.3445 0.4923 0.3556 -0.0851 0.0961  0.0446  13  LEU A CD1 
93  C CD2 . LEU A 13 ? 0.3378 0.4978 0.3397 -0.1066 0.1116  0.0652  13  LEU A CD2 
94  N N   . TYR A 14 ? 0.4398 0.5152 0.3498 -0.0543 0.0780  0.1147  14  TYR A N   
95  C CA  . TYR A 14 ? 0.4579 0.4774 0.3582 -0.0534 0.0717  0.1392  14  TYR A CA  
96  C C   . TYR A 14 ? 0.5216 0.5096 0.4240 -0.0301 0.0558  0.1270  14  TYR A C   
97  O O   . TYR A 14 ? 0.5535 0.4927 0.4668 -0.0315 0.0493  0.1261  14  TYR A O   
98  C CB  . TYR A 14 ? 0.5359 0.5607 0.4049 -0.0491 0.0756  0.1742  14  TYR A CB  
99  C CG  . TYR A 14 ? 0.6284 0.5928 0.4926 -0.0473 0.0708  0.2064  14  TYR A CG  
100 C CD1 . TYR A 14 ? 0.6852 0.6167 0.5420 -0.0219 0.0555  0.2083  14  TYR A CD1 
101 C CD2 . TYR A 14 ? 0.7129 0.6532 0.5860 -0.0708 0.0822  0.2360  14  TYR A CD2 
102 C CE1 . TYR A 14 ? 0.6803 0.5523 0.5384 -0.0186 0.0512  0.2374  14  TYR A CE1 
103 C CE2 . TYR A 14 ? 0.8067 0.6869 0.6844 -0.0701 0.0784  0.2672  14  TYR A CE2 
104 C CZ  . TYR A 14 ? 0.8003 0.6444 0.6704 -0.0432 0.0625  0.2671  14  TYR A CZ  
105 O OH  . TYR A 14 ? 0.9385 0.7187 0.8184 -0.0408 0.0588  0.2979  14  TYR A OH  
106 N N   . GLN A 15 ? 0.4435 0.4610 0.3387 -0.0079 0.0492  0.1157  15  GLN A N   
107 C CA  . GLN A 15 ? 0.4742 0.4697 0.3732 0.0163  0.0360  0.1056  15  GLN A CA  
108 C C   . GLN A 15 ? 0.4624 0.4507 0.3864 0.0150  0.0352  0.0796  15  GLN A C   
109 O O   . GLN A 15 ? 0.4896 0.4394 0.4163 0.0267  0.0267  0.0743  15  GLN A O   
110 C CB  . GLN A 15 ? 0.5136 0.5509 0.4072 0.0378  0.0297  0.0986  15  GLN A CB  
111 C CG  . GLN A 15 ? 0.5351 0.5767 0.3986 0.0489  0.0246  0.1245  15  GLN A CG  
112 C CD  . GLN A 15 ? 0.6209 0.6068 0.4735 0.0639  0.0155  0.1471  15  GLN A CD  
113 O OE1 . GLN A 15 ? 0.6713 0.6361 0.5361 0.0819  0.0065  0.1347  15  GLN A OE1 
114 N NE2 . GLN A 15 ? 0.6315 0.5942 0.4640 0.0577  0.0190  0.1818  15  GLN A NE2 
115 N N   . LEU A 16 ? 0.4015 0.4286 0.3439 0.0033  0.0440  0.0631  16  LEU A N   
116 C CA  . LEU A 16 ? 0.3567 0.3857 0.3203 0.0048  0.0438  0.0424  16  LEU A CA  
117 C C   . LEU A 16 ? 0.3896 0.3767 0.3550 -0.0087 0.0405  0.0413  16  LEU A C   
118 O O   . LEU A 16 ? 0.4225 0.3909 0.3928 0.0031  0.0326  0.0257  16  LEU A O   
119 C CB  . LEU A 16 ? 0.3823 0.4599 0.3685 -0.0057 0.0549  0.0308  16  LEU A CB  
120 C CG  . LEU A 16 ? 0.3978 0.5180 0.3993 0.0077  0.0573  0.0229  16  LEU A CG  
121 C CD1 . LEU A 16 ? 0.3842 0.5435 0.4123 -0.0060 0.0694  0.0141  16  LEU A CD1 
122 C CD2 . LEU A 16 ? 0.3749 0.4971 0.3878 0.0310  0.0517  0.0147  16  LEU A CD2 
123 N N   . GLU A 17 ? 0.3988 0.3739 0.3628 -0.0331 0.0465  0.0562  17  GLU A N   
124 C CA  . GLU A 17 ? 0.4292 0.3664 0.4050 -0.0501 0.0428  0.0534  17  GLU A CA  
125 C C   . GLU A 17 ? 0.4788 0.3558 0.4480 -0.0385 0.0306  0.0585  17  GLU A C   
126 O O   . GLU A 17 ? 0.4932 0.3344 0.4778 -0.0473 0.0231  0.0461  17  GLU A O   
127 C CB  . GLU A 17 ? 0.4397 0.3838 0.4233 -0.0806 0.0544  0.0709  17  GLU A CB  
128 C CG  . GLU A 17 ? 0.4592 0.4565 0.4592 -0.0931 0.0648  0.0584  17  GLU A CG  
129 C CD  . GLU A 17 ? 0.5037 0.5068 0.5197 -0.1238 0.0750  0.0703  17  GLU A CD  
130 O OE1 . GLU A 17 ? 0.5051 0.4876 0.5132 -0.1354 0.0806  0.0973  17  GLU A OE1 
131 O OE2 . GLU A 17 ? 0.5155 0.5472 0.5541 -0.1355 0.0782  0.0553  17  GLU A OE2 
132 N N   . ASN A 18 ? 0.4824 0.3486 0.4324 -0.0180 0.0271  0.0743  18  ASN A N   
133 C CA  . ASN A 18 ? 0.5368 0.3458 0.4839 -0.0016 0.0153  0.0782  18  ASN A CA  
134 C C   . ASN A 18 ? 0.5313 0.3304 0.4872 0.0170  0.0047  0.0439  18  ASN A C   
135 O O   . ASN A 18 ? 0.5812 0.3275 0.5432 0.0257  -0.0058 0.0365  18  ASN A O   
136 C CB  . ASN A 18 ? 0.5514 0.3628 0.4768 0.0224  0.0125  0.0997  18  ASN A CB  
137 C CG  . ASN A 18 ? 0.6624 0.4593 0.5753 0.0112  0.0184  0.1396  18  ASN A CG  
138 O OD1 . ASN A 18 ? 0.7051 0.4699 0.6304 -0.0123 0.0234  0.1550  18  ASN A OD1 
139 N ND2 . ASN A 18 ? 0.7185 0.5428 0.6084 0.0287  0.0179  0.1579  18  ASN A ND2 
140 N N   . TYR A 19 ? 0.4763 0.3260 0.4345 0.0249  0.0080  0.0235  19  TYR A N   
141 C CA  . TYR A 19 ? 0.5457 0.4002 0.5074 0.0475  0.0005  -0.0056 19  TYR A CA  
142 C C   . TYR A 19 ? 0.5261 0.3974 0.5010 0.0343  -0.0001 -0.0303 19  TYR A C   
143 O O   . TYR A 19 ? 0.5498 0.4360 0.5242 0.0545  -0.0053 -0.0548 19  TYR A O   
144 C CB  . TYR A 19 ? 0.4911 0.3933 0.4485 0.0720  0.0048  -0.0063 19  TYR A CB  
145 C CG  . TYR A 19 ? 0.5143 0.4028 0.4601 0.0898  0.0011  0.0125  19  TYR A CG  
146 C CD1 . TYR A 19 ? 0.5964 0.4523 0.5374 0.1172  -0.0089 0.0066  19  TYR A CD1 
147 C CD2 . TYR A 19 ? 0.5062 0.4172 0.4457 0.0812  0.0066  0.0346  19  TYR A CD2 
148 C CE1 . TYR A 19 ? 0.6640 0.5107 0.5961 0.1355  -0.0134 0.0255  19  TYR A CE1 
149 C CE2 . TYR A 19 ? 0.5768 0.4821 0.5044 0.0992  0.0009  0.0515  19  TYR A CE2 
150 C CZ  . TYR A 19 ? 0.6142 0.4872 0.5390 0.1262  -0.0091 0.0487  19  TYR A CZ  
151 O OH  . TYR A 19 ? 0.7426 0.6132 0.6573 0.1464  -0.0158 0.0671  19  TYR A OH  
152 N N   . CYS A 20 ? 0.4799 0.3549 0.4666 0.0031  0.0049  -0.0240 20  CYS A N   
153 C CA  . CYS A 20 ? 0.4882 0.3798 0.4898 -0.0090 0.0013  -0.0482 20  CYS A CA  
154 C C   . CYS A 20 ? 0.5815 0.4210 0.5912 -0.0088 -0.0149 -0.0715 20  CYS A C   
155 O O   . CYS A 20 ? 0.6806 0.4637 0.6905 -0.0069 -0.0206 -0.0625 20  CYS A O   
156 C CB  . CYS A 20 ? 0.5531 0.4654 0.5703 -0.0425 0.0110  -0.0354 20  CYS A CB  
157 S SG  . CYS A 20 ? 0.5684 0.5392 0.5827 -0.0453 0.0296  -0.0142 20  CYS A SG  
158 N N   . GLY A 21 ? 0.6159 0.4759 0.6347 -0.0098 -0.0232 -0.1026 21  GLY A N   
159 C CA  . GLY A 21 ? 0.6734 0.4900 0.7038 -0.0092 -0.0413 -0.1348 21  GLY A CA  
160 C C   . GLY A 21 ? 0.8633 0.6515 0.9256 -0.0477 -0.0461 -0.1355 21  GLY A C   
161 O O   . GLY A 21 ? 0.8798 0.6939 0.9531 -0.0741 -0.0344 -0.1133 21  GLY A O   
162 O OXT . GLY A 21 ? 1.1004 0.8397 1.1829 -0.0537 -0.0615 -0.1593 21  GLY A OXT 
163 N N   . PHE B 1  ? 0.7688 0.5931 0.6589 0.0385  -0.0425 -0.1030 1   PHE B N   
164 C CA  . PHE B 1  ? 0.8282 0.6352 0.7132 0.0157  -0.0508 -0.0907 1   PHE B CA  
165 C C   . PHE B 1  ? 0.7622 0.6107 0.6261 0.0019  -0.0487 -0.0790 1   PHE B C   
166 O O   . PHE B 1  ? 0.7842 0.6298 0.6437 -0.0164 -0.0536 -0.0651 1   PHE B O   
167 C CB  . PHE B 1  ? 0.7901 0.5664 0.6889 0.0182  -0.0583 -0.0639 1   PHE B CB  
168 C CG  . PHE B 1  ? 0.7450 0.5451 0.6392 0.0274  -0.0598 -0.0394 1   PHE B CG  
169 C CD1 . PHE B 1  ? 0.7117 0.5234 0.6179 0.0470  -0.0581 -0.0404 1   PHE B CD1 
170 C CD2 . PHE B 1  ? 0.7315 0.5417 0.6085 0.0164  -0.0631 -0.0149 1   PHE B CD2 
171 C CE1 . PHE B 1  ? 0.7149 0.5462 0.6160 0.0516  -0.0622 -0.0198 1   PHE B CE1 
172 C CE2 . PHE B 1  ? 0.6891 0.5141 0.5551 0.0243  -0.0657 0.0049  1   PHE B CE2 
173 C CZ  . PHE B 1  ? 0.7000 0.5346 0.5782 0.0401  -0.0665 0.0013  1   PHE B CZ  
174 N N   . VAL B 2  ? 0.7176 0.6049 0.5687 0.0123  -0.0396 -0.0825 2   VAL B N   
175 C CA  . VAL B 2  ? 0.6350 0.5596 0.4623 0.0049  -0.0344 -0.0684 2   VAL B CA  
176 C C   . VAL B 2  ? 0.6441 0.6014 0.4568 -0.0016 -0.0279 -0.0877 2   VAL B C   
177 O O   . VAL B 2  ? 0.6074 0.5976 0.3998 -0.0074 -0.0225 -0.0748 2   VAL B O   
178 C CB  . VAL B 2  ? 0.6822 0.6252 0.5000 0.0185  -0.0282 -0.0542 2   VAL B CB  
179 C CG1 . VAL B 2  ? 0.6405 0.5548 0.4709 0.0232  -0.0382 -0.0348 2   VAL B CG1 
180 C CG2 . VAL B 2  ? 0.6250 0.5877 0.4486 0.0342  -0.0180 -0.0744 2   VAL B CG2 
181 N N   . ASN B 3  ? 0.6131 0.5623 0.4324 0.0010  -0.0281 -0.1172 3   ASN B N   
182 C CA  . ASN B 3  ? 0.6358 0.6179 0.4387 -0.0036 -0.0238 -0.1378 3   ASN B CA  
183 C C   . ASN B 3  ? 0.6449 0.6164 0.4504 -0.0292 -0.0363 -0.1453 3   ASN B C   
184 O O   . ASN B 3  ? 0.6393 0.5974 0.4442 -0.0345 -0.0416 -0.1741 3   ASN B O   
185 C CB  . ASN B 3  ? 0.7016 0.6848 0.5035 0.0165  -0.0158 -0.1664 3   ASN B CB  
186 C CG  . ASN B 3  ? 0.7156 0.7161 0.5200 0.0388  -0.0028 -0.1561 3   ASN B CG  
187 O OD1 . ASN B 3  ? 0.6468 0.6850 0.4352 0.0428  0.0077  -0.1456 3   ASN B OD1 
188 N ND2 . ASN B 3  ? 0.7405 0.7137 0.5657 0.0532  -0.0031 -0.1576 3   ASN B ND2 
189 N N   . GLN B 4  ? 0.5952 0.5728 0.4026 -0.0456 -0.0410 -0.1178 4   GLN B N   
190 C CA  . GLN B 4  ? 0.6060 0.5816 0.4210 -0.0733 -0.0524 -0.1172 4   GLN B CA  
191 C C   . GLN B 4  ? 0.5503 0.5659 0.3568 -0.0819 -0.0489 -0.0836 4   GLN B C   
192 O O   . GLN B 4  ? 0.5027 0.5374 0.2932 -0.0656 -0.0377 -0.0639 4   GLN B O   
193 C CB  . GLN B 4  ? 0.6500 0.5650 0.4880 -0.0841 -0.0630 -0.1162 4   GLN B CB  
194 C CG  . GLN B 4  ? 0.6491 0.5382 0.4955 -0.0708 -0.0605 -0.0882 4   GLN B CG  
195 C CD  . GLN B 4  ? 0.7447 0.5767 0.6129 -0.0802 -0.0691 -0.0826 4   GLN B CD  
196 O OE1 . GLN B 4  ? 0.7959 0.6116 0.6744 -0.1042 -0.0771 -0.0879 4   GLN B OE1 
197 N NE2 . GLN B 4  ? 0.7977 0.5997 0.6738 -0.0616 -0.0675 -0.0708 4   GLN B NE2 
198 N N   . HIS B 5  ? 0.5442 0.5715 0.3606 -0.1077 -0.0578 -0.0764 5   HIS B N   
199 C CA  . HIS B 5  ? 0.5217 0.5825 0.3341 -0.1147 -0.0537 -0.0391 5   HIS B CA  
200 C C   . HIS B 5  ? 0.5373 0.5564 0.3595 -0.1116 -0.0543 -0.0109 5   HIS B C   
201 O O   . HIS B 5  ? 0.5841 0.5577 0.4290 -0.1234 -0.0640 -0.0145 5   HIS B O   
202 C CB  . HIS B 5  ? 0.5414 0.6315 0.3682 -0.1449 -0.0639 -0.0376 5   HIS B CB  
203 C CG  . HIS B 5  ? 0.5383 0.6795 0.3524 -0.1482 -0.0648 -0.0612 5   HIS B CG  
204 N ND1 . HIS B 5  ? 0.5741 0.7005 0.3920 -0.1592 -0.0767 -0.1013 5   HIS B ND1 
205 C CD2 . HIS B 5  ? 0.5081 0.7141 0.3025 -0.1400 -0.0548 -0.0498 5   HIS B CD2 
206 C CE1 . HIS B 5  ? 0.5648 0.7476 0.3662 -0.1580 -0.0754 -0.1141 5   HIS B CE1 
207 N NE2 . HIS B 5  ? 0.5278 0.7613 0.3164 -0.1461 -0.0616 -0.0824 5   HIS B NE2 
208 N N   . LEU B 6  ? 0.4959 0.5270 0.2974 -0.0942 -0.0436 0.0168  6   LEU B N   
209 C CA  . LEU B 6  ? 0.5196 0.5150 0.3225 -0.0874 -0.0441 0.0448  6   LEU B CA  
210 C C   . LEU B 6  ? 0.5396 0.5648 0.3274 -0.0890 -0.0365 0.0831  6   LEU B C   
211 O O   . LEU B 6  ? 0.5691 0.6268 0.3266 -0.0750 -0.0243 0.0937  6   LEU B O   
212 C CB  . LEU B 6  ? 0.5148 0.4910 0.3010 -0.0627 -0.0394 0.0421  6   LEU B CB  
213 C CG  . LEU B 6  ? 0.5306 0.4809 0.3321 -0.0552 -0.0440 0.0098  6   LEU B CG  
214 C CD1 . LEU B 6  ? 0.5441 0.4916 0.3305 -0.0334 -0.0385 0.0116  6   LEU B CD1 
215 C CD2 . LEU B 6  ? 0.6307 0.5318 0.4597 -0.0626 -0.0548 0.0078  6   LEU B CD2 
216 N N   . CYS B 7  ? 0.5281 0.5410 0.3359 -0.1044 -0.0416 0.1054  7   CYS B N   
217 C CA  . CYS B 7  ? 0.5509 0.5959 0.3484 -0.1058 -0.0332 0.1445  7   CYS B CA  
218 C C   . CYS B 7  ? 0.5251 0.5313 0.3229 -0.0988 -0.0330 0.1764  7   CYS B C   
219 O O   . CYS B 7  ? 0.5488 0.5086 0.3691 -0.1036 -0.0422 0.1696  7   CYS B O   
220 C CB  . CYS B 7  ? 0.5864 0.6710 0.4114 -0.1343 -0.0381 0.1473  7   CYS B CB  
221 S SG  . CYS B 7  ? 0.7560 0.8948 0.5771 -0.1424 -0.0399 0.1119  7   CYS B SG  
222 N N   . GLY B 8  ? 0.5466 0.4916 0.4546 -0.0699 0.0399  0.0221  8   GLY B N   
223 C CA  . GLY B 8  ? 0.5319 0.4885 0.4542 -0.0636 0.0432  0.0495  8   GLY B CA  
224 C C   . GLY B 8  ? 0.5007 0.4608 0.4200 -0.0519 0.0457  0.0552  8   GLY B C   
225 O O   . GLY B 8  ? 0.4863 0.4516 0.3836 -0.0469 0.0459  0.0421  8   GLY B O   
226 N N   . SER B 9  ? 0.4580 0.4169 0.4047 -0.0486 0.0455  0.0788  9   SER B N   
227 C CA  . SER B 9  ? 0.4112 0.3768 0.3607 -0.0375 0.0445  0.0893  9   SER B CA  
228 C C   . SER B 9  ? 0.4537 0.3999 0.4158 -0.0324 0.0451  0.0649  9   SER B C   
229 O O   . SER B 9  ? 0.4028 0.3589 0.3629 -0.0231 0.0441  0.0667  9   SER B O   
230 C CB  . SER B 9  ? 0.4071 0.3765 0.3895 -0.0369 0.0413  0.1264  9   SER B CB  
231 O OG  . SER B 9  ? 0.4776 0.4143 0.5091 -0.0413 0.0380  0.1250  9   SER B OG  
232 N N   . HIS B 10 ? 0.4026 0.3266 0.3792 -0.0383 0.0467  0.0403  10  HIS B N   
233 C CA  . HIS B 10 ? 0.4466 0.3614 0.4335 -0.0329 0.0510  0.0118  10  HIS B CA  
234 C C   . HIS B 10 ? 0.4766 0.4110 0.4232 -0.0330 0.0557  -0.0026 10  HIS B C   
235 O O   . HIS B 10 ? 0.4723 0.4144 0.4256 -0.0255 0.0603  -0.0122 10  HIS B O   
236 C CB  . HIS B 10 ? 0.5225 0.4159 0.5288 -0.0399 0.0515  -0.0171 10  HIS B CB  
237 C CG  . HIS B 10 ? 0.6590 0.5457 0.6890 -0.0315 0.0579  -0.0492 10  HIS B CG  
238 N ND1 . HIS B 10 ? 0.6391 0.5365 0.6827 -0.0184 0.0625  -0.0464 10  HIS B ND1 
239 C CD2 . HIS B 10 ? 0.6861 0.5613 0.7313 -0.0337 0.0608  -0.0883 10  HIS B CD2 
240 C CE1 . HIS B 10 ? 0.6902 0.5842 0.7593 -0.0118 0.0703  -0.0817 10  HIS B CE1 
241 N NE2 . HIS B 10 ? 0.6847 0.5658 0.7529 -0.0206 0.0698  -0.1099 10  HIS B NE2 
242 N N   . LEU B 11 ? 0.4362 0.3798 0.3482 -0.0418 0.0537  -0.0022 11  LEU B N   
243 C CA  . LEU B 11 ? 0.4626 0.4225 0.3446 -0.0439 0.0547  -0.0092 11  LEU B CA  
244 C C   . LEU B 11 ? 0.4257 0.3999 0.3063 -0.0350 0.0515  0.0054  11  LEU B C   
245 O O   . LEU B 11 ? 0.4048 0.3899 0.2821 -0.0334 0.0530  -0.0006 11  LEU B O   
246 C CB  . LEU B 11 ? 0.5053 0.4688 0.3627 -0.0543 0.0491  -0.0083 11  LEU B CB  
247 C CG  . LEU B 11 ? 0.4856 0.4627 0.3207 -0.0583 0.0457  -0.0086 11  LEU B CG  
248 C CD1 . LEU B 11 ? 0.4429 0.4282 0.2715 -0.0630 0.0527  -0.0223 11  LEU B CD1 
249 C CD2 . LEU B 11 ? 0.5310 0.5089 0.3536 -0.0671 0.0371  -0.0050 11  LEU B CD2 
250 N N   . VAL B 12 ? 0.4172 0.3965 0.3002 -0.0303 0.0468  0.0246  12  VAL B N   
251 C CA  . VAL B 12 ? 0.4083 0.4061 0.2854 -0.0222 0.0413  0.0353  12  VAL B CA  
252 C C   . VAL B 12 ? 0.4454 0.4444 0.3479 -0.0138 0.0409  0.0397  12  VAL B C   
253 O O   . VAL B 12 ? 0.4018 0.4153 0.3034 -0.0093 0.0363  0.0385  12  VAL B O   
254 C CB  . VAL B 12 ? 0.4689 0.4808 0.3376 -0.0204 0.0385  0.0537  12  VAL B CB  
255 C CG1 . VAL B 12 ? 0.5090 0.5432 0.3745 -0.0118 0.0323  0.0671  12  VAL B CG1 
256 C CG2 . VAL B 12 ? 0.5087 0.5284 0.3563 -0.0245 0.0375  0.0440  12  VAL B CG2 
257 N N   . GLU B 13 ? 0.4249 0.4080 0.3580 -0.0115 0.0441  0.0434  13  GLU B N   
258 C CA  . GLU B 13 ? 0.3992 0.3812 0.3691 -0.0015 0.0434  0.0456  13  GLU B CA  
259 C C   . GLU B 13 ? 0.4344 0.4209 0.4080 -0.0010 0.0519  0.0192  13  GLU B C   
260 O O   . GLU B 13 ? 0.3784 0.3790 0.3717 0.0068  0.0503  0.0204  13  GLU B O   
261 C CB  . GLU B 13 ? 0.4248 0.3835 0.4353 0.0002  0.0434  0.0527  13  GLU B CB  
262 C CG  . GLU B 13 ? 0.5133 0.4621 0.5769 0.0115  0.0432  0.0480  13  GLU B CG  
263 C CD  . GLU B 13 ? 0.6537 0.5744 0.7652 0.0117  0.0389  0.0577  13  GLU B CD  
264 O OE1 . GLU B 13 ? 0.5898 0.5118 0.7084 0.0090  0.0294  0.0957  13  GLU B OE1 
265 O OE2 . GLU B 13 ? 0.7547 0.6546 0.8978 0.0136  0.0448  0.0268  13  GLU B OE2 
266 N N   . ALA B 14 ? 0.3981 0.3790 0.3528 -0.0104 0.0605  -0.0026 14  ALA B N   
267 C CA  . ALA B 14 ? 0.3864 0.3821 0.3371 -0.0131 0.0708  -0.0236 14  ALA B CA  
268 C C   . ALA B 14 ? 0.3902 0.4069 0.3249 -0.0160 0.0658  -0.0142 14  ALA B C   
269 O O   . ALA B 14 ? 0.4040 0.4390 0.3569 -0.0129 0.0704  -0.0185 14  ALA B O   
270 C CB  . ALA B 14 ? 0.4054 0.3974 0.3302 -0.0253 0.0778  -0.0431 14  ALA B CB  
271 N N   . LEU B 15 ? 0.3476 0.3628 0.2550 -0.0218 0.0558  -0.0031 15  LEU B N   
272 C CA  . LEU B 15 ? 0.3745 0.4048 0.2747 -0.0246 0.0473  0.0021  15  LEU B CA  
273 C C   . LEU B 15 ? 0.3750 0.4181 0.2979 -0.0140 0.0393  0.0107  15  LEU B C   
274 O O   . LEU B 15 ? 0.3951 0.4546 0.3321 -0.0154 0.0366  0.0094  15  LEU B O   
275 C CB  . LEU B 15 ? 0.3580 0.3829 0.2340 -0.0288 0.0370  0.0068  15  LEU B CB  
276 C CG  . LEU B 15 ? 0.4336 0.4508 0.2912 -0.0407 0.0385  0.0024  15  LEU B CG  
277 C CD1 . LEU B 15 ? 0.4542 0.4658 0.2995 -0.0395 0.0298  0.0057  15  LEU B CD1 
278 C CD2 . LEU B 15 ? 0.4454 0.4731 0.3050 -0.0507 0.0361  0.0029  15  LEU B CD2 
279 N N   . TYR B 16 ? 0.3872 0.4262 0.3167 -0.0049 0.0341  0.0230  16  TYR B N   
280 C CA  . TYR B 16 ? 0.3639 0.4187 0.3139 0.0049  0.0231  0.0360  16  TYR B CA  
281 C C   . TYR B 16 ? 0.3806 0.4439 0.3710 0.0103  0.0290  0.0303  16  TYR B C   
282 O O   . TYR B 16 ? 0.3653 0.4488 0.3720 0.0127  0.0203  0.0330  16  TYR B O   
283 C CB  . TYR B 16 ? 0.3462 0.3967 0.3002 0.0115  0.0182  0.0571  16  TYR B CB  
284 C CG  . TYR B 16 ? 0.3467 0.4147 0.3262 0.0216  0.0050  0.0773  16  TYR B CG  
285 C CD1 . TYR B 16 ? 0.3796 0.4746 0.3402 0.0230  -0.0111 0.0846  16  TYR B CD1 
286 C CD2 . TYR B 16 ? 0.3586 0.4173 0.3851 0.0302  0.0061  0.0879  16  TYR B CD2 
287 C CE1 . TYR B 16 ? 0.3809 0.4968 0.3629 0.0311  -0.0266 0.1060  16  TYR B CE1 
288 C CE2 . TYR B 16 ? 0.3978 0.4737 0.4537 0.0396  -0.0093 0.1114  16  TYR B CE2 
289 C CZ  . TYR B 16 ? 0.3751 0.4814 0.4058 0.0393  -0.0261 0.1224  16  TYR B CZ  
290 O OH  . TYR B 16 ? 0.4378 0.5653 0.4965 0.0477  -0.0444 0.1484  16  TYR B OH  
291 N N   . LEU B 17 ? 0.3539 0.4046 0.3646 0.0125  0.0437  0.0190  17  LEU B N   
292 C CA  . LEU B 17 ? 0.3362 0.3995 0.3911 0.0203  0.0528  0.0081  17  LEU B CA  
293 C C   . LEU B 17 ? 0.3615 0.4480 0.4104 0.0110  0.0626  -0.0051 17  LEU B C   
294 O O   . LEU B 17 ? 0.3588 0.4696 0.4415 0.0153  0.0631  -0.0047 17  LEU B O   
295 C CB  . LEU B 17 ? 0.3584 0.4033 0.4375 0.0259  0.0662  -0.0088 17  LEU B CB  
296 C CG  . LEU B 17 ? 0.3747 0.3963 0.4833 0.0355  0.0560  0.0079  17  LEU B CG  
297 C CD1 . LEU B 17 ? 0.4426 0.4433 0.5843 0.0403  0.0679  -0.0172 17  LEU B CD1 
298 C CD2 . LEU B 17 ? 0.3712 0.4067 0.5224 0.0483  0.0418  0.0305  17  LEU B CD2 
299 N N   . VAL B 18 ? 0.3378 0.4204 0.3490 -0.0028 0.0699  -0.0133 18  VAL B N   
300 C CA  . VAL B 18 ? 0.3638 0.4715 0.3710 -0.0147 0.0794  -0.0186 18  VAL B CA  
301 C C   . VAL B 18 ? 0.3648 0.4846 0.3769 -0.0203 0.0630  -0.0036 18  VAL B C   
302 O O   . VAL B 18 ? 0.3643 0.5116 0.4043 -0.0239 0.0666  -0.0018 18  VAL B O   
303 C CB  . VAL B 18 ? 0.3876 0.4892 0.3543 -0.0290 0.0877  -0.0256 18  VAL B CB  
304 C CG1 . VAL B 18 ? 0.4391 0.5661 0.3979 -0.0454 0.0905  -0.0175 18  VAL B CG1 
305 C CG2 . VAL B 18 ? 0.3864 0.4881 0.3555 -0.0249 0.1059  -0.0492 18  VAL B CG2 
306 N N   . CYS B 19 ? 0.3729 0.4758 0.3625 -0.0210 0.0448  0.0049  19  CYS B N   
307 C CA  . CYS B 19 ? 0.4476 0.5589 0.4411 -0.0275 0.0270  0.0112  19  CYS B CA  
308 C C   . CYS B 19 ? 0.4276 0.5548 0.4499 -0.0176 0.0121  0.0161  19  CYS B C   
309 O O   . CYS B 19 ? 0.4451 0.5877 0.4875 -0.0239 -0.0004 0.0176  19  CYS B O   
310 C CB  . CYS B 19 ? 0.4716 0.5632 0.4323 -0.0310 0.0143  0.0106  19  CYS B CB  
311 S SG  . CYS B 19 ? 0.4236 0.4999 0.3566 -0.0445 0.0247  0.0094  19  CYS B SG  
312 N N   . GLY B 20 ? 0.4414 0.5657 0.4694 -0.0037 0.0102  0.0212  20  GLY B N   
313 C CA  . GLY B 20 ? 0.4363 0.5807 0.4948 0.0056  -0.0056 0.0302  20  GLY B CA  
314 C C   . GLY B 20 ? 0.4594 0.6136 0.5034 0.0018  -0.0303 0.0300  20  GLY B C   
315 O O   . GLY B 20 ? 0.4634 0.6068 0.4691 0.0005  -0.0375 0.0263  20  GLY B O   
316 N N   . GLU B 21 ? 0.4729 0.6510 0.5521 0.0003  -0.0438 0.0308  21  GLU B N   
317 C CA  . GLU B 21 ? 0.5168 0.7072 0.5888 -0.0031 -0.0711 0.0247  21  GLU B CA  
318 C C   . GLU B 21 ? 0.4693 0.6439 0.5232 -0.0157 -0.0745 0.0093  21  GLU B C   
319 O O   . GLU B 21 ? 0.5275 0.7054 0.5666 -0.0161 -0.0959 -0.0040 21  GLU B O   
320 C CB  . GLU B 21 ? 0.5013 0.7211 0.6240 -0.0043 -0.0860 0.0281  21  GLU B CB  
321 C CG  . GLU B 21 ? 0.6096 0.8493 0.7576 0.0100  -0.0927 0.0447  21  GLU B CG  
322 C CD  . GLU B 21 ? 0.7484 1.0207 0.9532 0.0084  -0.1088 0.0479  21  GLU B CD  
323 O OE1 . GLU B 21 ? 0.7118 0.9907 0.9458 -0.0044 -0.1041 0.0402  21  GLU B OE1 
324 O OE2 . GLU B 21 ? 0.7828 1.0769 1.0068 0.0189  -0.1275 0.0617  21  GLU B OE2 
325 N N   . ARG B 22 ? 0.4695 0.6296 0.5268 -0.0257 -0.0555 0.0101  22  ARG B N   
326 C CA  . ARG B 22 ? 0.4609 0.6037 0.5090 -0.0376 -0.0612 0.0014  22  ARG B CA  
327 C C   . ARG B 22 ? 0.5311 0.6551 0.5355 -0.0311 -0.0639 -0.0088 22  ARG B C   
328 O O   . ARG B 22 ? 0.5653 0.6774 0.5678 -0.0362 -0.0762 -0.0217 22  ARG B O   
329 C CB  . ARG B 22 ? 0.4937 0.6312 0.5503 -0.0506 -0.0405 0.0114  22  ARG B CB  
330 C CG  . ARG B 22 ? 0.5412 0.7037 0.6452 -0.0624 -0.0376 0.0217  22  ARG B CG  
331 C CD  . ARG B 22 ? 0.5819 0.7490 0.6838 -0.0762 -0.0144 0.0341  22  ARG B CD  
332 N NE  . ARG B 22 ? 0.6159 0.7885 0.6974 -0.0669 0.0119  0.0313  22  ARG B NE  
333 C CZ  . ARG B 22 ? 0.5988 0.7800 0.6657 -0.0758 0.0341  0.0355  22  ARG B CZ  
334 N NH1 . ARG B 22 ? 0.5696 0.7568 0.6371 -0.0954 0.0339  0.0503  22  ARG B NH1 
335 N NH2 . ARG B 22 ? 0.5333 0.7186 0.5866 -0.0652 0.0552  0.0247  22  ARG B NH2 
336 N N   . GLY B 23 ? 0.6750 0.6508 0.4138 -0.0770 0.0902  -0.0115 23  GLY B N   
337 C CA  . GLY B 23 ? 0.6481 0.5674 0.3818 -0.0674 0.0951  -0.0086 23  GLY B CA  
338 C C   . GLY B 23 ? 0.6273 0.5440 0.3373 -0.0668 0.0910  -0.0032 23  GLY B C   
339 O O   . GLY B 23 ? 0.5821 0.5412 0.2807 -0.0766 0.0820  -0.0023 23  GLY B O   
340 N N   . PHE B 24 ? 0.6092 0.4825 0.3324 -0.0507 0.0907  0.0019  24  PHE B N   
341 C CA  . PHE B 24 ? 0.5819 0.4642 0.3085 -0.0428 0.0749  0.0116  24  PHE B CA  
342 C C   . PHE B 24 ? 0.5975 0.4294 0.3514 -0.0232 0.0755  0.0238  24  PHE B C   
343 O O   . PHE B 24 ? 0.6313 0.4266 0.4037 -0.0173 0.0910  0.0162  24  PHE B O   
344 C CB  . PHE B 24 ? 0.5670 0.5065 0.3181 -0.0359 0.0670  -0.0141 24  PHE B CB  
345 C CG  . PHE B 24 ? 0.4870 0.4188 0.2816 -0.0178 0.0742  -0.0381 24  PHE B CG  
346 C CD1 . PHE B 24 ? 0.5536 0.4720 0.3804 -0.0042 0.0690  -0.0379 24  PHE B CD1 
347 C CD2 . PHE B 24 ? 0.5164 0.4556 0.3196 -0.0154 0.0849  -0.0597 24  PHE B CD2 
348 C CE1 . PHE B 24 ? 0.5091 0.4168 0.3667 0.0046  0.0768  -0.0606 24  PHE B CE1 
349 C CE2 . PHE B 24 ? 0.5256 0.4450 0.3580 -0.0022 0.0896  -0.0788 24  PHE B CE2 
350 C CZ  . PHE B 24 ? 0.4642 0.3655 0.3192 0.0043  0.0867  -0.0801 24  PHE B CZ  
351 N N   . PHE B 25 ? 0.6075 0.4412 0.3650 -0.0139 0.0581  0.0427  25  PHE B N   
352 C CA  . PHE B 25 ? 0.6379 0.4463 0.4399 0.0116  0.0566  0.0499  25  PHE B CA  
353 C C   . PHE B 25 ? 0.6065 0.4740 0.4464 0.0224  0.0363  0.0419  25  PHE B C   
354 O O   . PHE B 25 ? 0.6276 0.5355 0.4439 0.0109  0.0156  0.0500  25  PHE B O   
355 C CB  . PHE B 25 ? 0.7272 0.4753 0.5109 0.0201  0.0548  0.0831  25  PHE B CB  
356 C CG  . PHE B 25 ? 0.8233 0.5829 0.5761 0.0171  0.0261  0.1133  25  PHE B CG  
357 C CD1 . PHE B 25 ? 0.8836 0.6360 0.5660 -0.0139 0.0220  0.1265  25  PHE B CD1 
358 C CD2 . PHE B 25 ? 0.8913 0.6692 0.6832 0.0427  0.0018  0.1311  25  PHE B CD2 
359 C CE1 . PHE B 25 ? 0.9007 0.6559 0.5431 -0.0232 -0.0058 0.1569  25  PHE B CE1 
360 C CE2 . PHE B 25 ? 0.8737 0.6577 0.6309 0.0377  -0.0301 0.1648  25  PHE B CE2 
361 C CZ  . PHE B 25 ? 0.9073 0.6745 0.5847 0.0030  -0.0337 0.1781  25  PHE B CZ  
362 N N   . TYR B 26 ? 0.5630 0.4375 0.4555 0.0374  0.0438  0.0240  26  TYR B N   
363 C CA  . TYR B 26 ? 0.5410 0.4736 0.4714 0.0422  0.0274  0.0125  26  TYR B CA  
364 C C   . TYR B 26 ? 0.5722 0.5057 0.5547 0.0676  0.0196  0.0300  26  TYR B C   
365 O O   . TYR B 26 ? 0.5198 0.4220 0.5366 0.0803  0.0414  0.0207  26  TYR B O   
366 C CB  . TYR B 26 ? 0.4541 0.3958 0.4020 0.0349  0.0436  -0.0245 26  TYR B CB  
367 C CG  . TYR B 26 ? 0.4322 0.4278 0.4148 0.0331  0.0310  -0.0397 26  TYR B CG  
368 C CD1 . TYR B 26 ? 0.4467 0.4928 0.4089 0.0180  0.0113  -0.0430 26  TYR B CD1 
369 C CD2 . TYR B 26 ? 0.4643 0.4628 0.4959 0.0404  0.0407  -0.0527 26  TYR B CD2 
370 C CE1 . TYR B 26 ? 0.4895 0.5862 0.4768 0.0091  -0.0004 -0.0574 26  TYR B CE1 
371 C CE2 . TYR B 26 ? 0.4036 0.4577 0.4647 0.0325  0.0293  -0.0673 26  TYR B CE2 
372 C CZ  . TYR B 26 ? 0.4372 0.5394 0.4749 0.0163  0.0078  -0.0689 26  TYR B CZ  
373 O OH  . TYR B 26 ? 0.4996 0.6582 0.5605 0.0015  -0.0035 -0.0840 26  TYR B OH  
374 N N   . THR B 27 ? 0.5159 0.4875 0.5052 0.0746  -0.0116 0.0553  27  THR B N   
375 C CA  . THR B 27 ? 0.5794 0.5611 0.6259 0.1057  -0.0255 0.0779  27  THR B CA  
376 C C   . THR B 27 ? 0.5997 0.6686 0.6801 0.1028  -0.0572 0.0794  27  THR B C   
377 O O   . THR B 27 ? 0.6339 0.7306 0.6911 0.0982  -0.0919 0.1088  27  THR B O   
378 C CB  . THR B 27 ? 0.6973 0.6257 0.7140 0.1208  -0.0385 0.1197  27  THR B CB  
379 O OG1 . THR B 27 ? 0.7333 0.5821 0.7079 0.1135  -0.0072 0.1152  27  THR B OG1 
380 C CG2 . THR B 27 ? 0.6625 0.5947 0.7484 0.1629  -0.0506 0.1425  27  THR B CG2 
381 N N   . PRO B 28 ? 0.5265 0.6400 0.6548 0.0988  -0.0470 0.0484  28  PRO B N   
382 C CA  . PRO B 28 ? 0.5590 0.7611 0.7174 0.0890  -0.0766 0.0480  28  PRO B CA  
383 C C   . PRO B 28 ? 0.6330 0.8779 0.8521 0.1210  -0.1078 0.0843  28  PRO B C   
384 O O   . PRO B 28 ? 0.6438 0.9644 0.8742 0.1103  -0.1441 0.0980  28  PRO B O   
385 C CB  . PRO B 28 ? 0.4659 0.6897 0.6580 0.0754  -0.0514 0.0047  28  PRO B CB  
386 C CG  . PRO B 28 ? 0.4819 0.6420 0.6967 0.0953  -0.0161 -0.0042 28  PRO B CG  
387 C CD  . PRO B 28 ? 0.5150 0.5997 0.6719 0.1004  -0.0095 0.0154  28  PRO B CD  
388 N N   . LYS B 29 ? 0.7515 0.9497 1.0096 0.1596  -0.0947 0.1000  29  LYS B N   
389 C CA  . LYS B 29 ? 0.7751 1.0045 1.1032 0.2022  -0.1208 0.1348  29  LYS B CA  
390 C C   . LYS B 29 ? 0.8420 1.1695 1.2651 0.2111  -0.1244 0.1162  29  LYS B C   
391 O O   . LYS B 29 ? 0.8998 1.2495 1.3317 0.1849  -0.0974 0.0734  29  LYS B O   
392 C CB  . LYS B 29 ? 0.8176 1.0638 1.1075 0.2014  -0.1723 0.1832  29  LYS B CB  
393 C CG  . LYS B 29 ? 0.8568 1.0187 1.0443 0.1811  -0.1704 0.1999  29  LYS B CG  
394 C CD  . LYS B 29 ? 0.9013 1.0967 1.0372 0.1604  -0.2206 0.2380  29  LYS B CD  
395 C CE  . LYS B 29 ? 0.9378 1.1861 1.1416 0.1974  -0.2670 0.2813  29  LYS B CE  
396 N NZ  . LYS B 29 ? 0.9602 1.2356 1.1045 0.1730  -0.3211 0.3247  29  LYS B NZ  
397 S S   . SO4 C .  ? 1.2936 1.0820 1.3406 0.0454  0.0792  -0.0152 101 SO4 B S   
398 O O1  . SO4 C .  ? 1.0267 0.7914 1.0295 0.0425  0.1095  -0.0405 101 SO4 B O1  
399 O O2  . SO4 C .  ? 0.9729 0.8012 1.0310 0.0512  0.0780  -0.0026 101 SO4 B O2  
400 O O3  . SO4 C .  ? 0.9771 0.7658 0.9861 0.0255  0.0507  -0.0086 101 SO4 B O3  
401 O O4  . SO4 C .  ? 0.9720 0.7384 1.0892 0.0607  0.0775  -0.0082 101 SO4 B O4  
# 
