data_6FLH
# 
_entry.id   6FLH 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.315 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   6FLH         
WWPDB D_1200008542 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        6FLH 
_pdbx_database_status.recvd_initial_deposition_date   2018-01-25 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Wang, H.'      1 ? 
'Yang, F.'      2 ? 
'Logan, D.'     3 ? 
'Oliveberg, M.' 4 ? 
# 
_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                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Am.Chem.Soc. 
_citation.journal_id_ASTM           JACSAT 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1520-5126 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            140 
_citation.language                  ? 
_citation.page_first                16570 
_citation.page_last                 16579 
_citation.title                     'The Cost of Long Catalytic Loops in Folding and Stability of the ALS-Associated Protein SOD1.' 
_citation.year                      2018 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/jacs.8b08141 
_citation.pdbx_database_id_PubMed   30359015 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Yang, F.'       1 ? 
primary 'Wang, H.'       2 ? 
primary 'Logan, D.T.'    3 ? 
primary 'Mu, X.'         4 ? 
primary 'Danielsson, J.' 5 ? 
primary 'Oliveberg, M.'  6 ? 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     6FLH 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     83.214 
_cell.length_a_esd                 ? 
_cell.length_b                     83.214 
_cell.length_b_esd                 ? 
_cell.length_c                     133.478 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        18 
_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             ? 
# 
_symmetry.entry_id                         6FLH 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                155 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'H 3 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
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 'Superoxide dismutase [Cu-Zn]' 11887.126 1  1.15.1.1 ? ? ? 
2 non-polymer syn 'SULFATE ION'                  96.063    1  ?        ? ? ? 
3 non-polymer syn GLYCEROL                       92.094    1  ?        ? ? ? 
4 water       nat water                          18.015    94 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Superoxide dismutase 1,hSod1' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;ATKAVAVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEEGAGHVGDLGNVTADKDGVADVSIEDSVISL
SGDHSIIGRTLVVHEKADDGAGGNAGSRLASGVIGIAQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;ATKAVAVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEEGAGHVGDLGNVTADKDGVADVSIEDSVISL
SGDHSIIGRTLVVHEKADDGAGGNAGSRLASGVIGIAQ
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ALA n 
1 2   THR n 
1 3   LYS n 
1 4   ALA n 
1 5   VAL n 
1 6   ALA n 
1 7   VAL n 
1 8   LEU n 
1 9   LYS n 
1 10  GLY n 
1 11  ASP n 
1 12  GLY n 
1 13  PRO n 
1 14  VAL n 
1 15  GLN n 
1 16  GLY n 
1 17  ILE n 
1 18  ILE n 
1 19  ASN n 
1 20  PHE n 
1 21  GLU n 
1 22  GLN n 
1 23  LYS n 
1 24  GLU n 
1 25  SER n 
1 26  ASN n 
1 27  GLY n 
1 28  PRO n 
1 29  VAL n 
1 30  LYS n 
1 31  VAL n 
1 32  TRP n 
1 33  GLY n 
1 34  SER n 
1 35  ILE n 
1 36  LYS n 
1 37  GLY n 
1 38  LEU n 
1 39  THR n 
1 40  GLU n 
1 41  GLY n 
1 42  LEU n 
1 43  HIS n 
1 44  GLY n 
1 45  PHE n 
1 46  HIS n 
1 47  VAL n 
1 48  HIS n 
1 49  GLU n 
1 50  GLU n 
1 51  GLY n 
1 52  ALA n 
1 53  GLY n 
1 54  HIS n 
1 55  VAL n 
1 56  GLY n 
1 57  ASP n 
1 58  LEU n 
1 59  GLY n 
1 60  ASN n 
1 61  VAL n 
1 62  THR n 
1 63  ALA n 
1 64  ASP n 
1 65  LYS n 
1 66  ASP n 
1 67  GLY n 
1 68  VAL n 
1 69  ALA n 
1 70  ASP n 
1 71  VAL n 
1 72  SER n 
1 73  ILE n 
1 74  GLU n 
1 75  ASP n 
1 76  SER n 
1 77  VAL n 
1 78  ILE n 
1 79  SER n 
1 80  LEU n 
1 81  SER n 
1 82  GLY n 
1 83  ASP n 
1 84  HIS n 
1 85  SER n 
1 86  ILE n 
1 87  ILE n 
1 88  GLY n 
1 89  ARG n 
1 90  THR n 
1 91  LEU n 
1 92  VAL n 
1 93  VAL n 
1 94  HIS n 
1 95  GLU n 
1 96  LYS n 
1 97  ALA n 
1 98  ASP n 
1 99  ASP n 
1 100 GLY n 
1 101 ALA n 
1 102 GLY n 
1 103 GLY n 
1 104 ASN n 
1 105 ALA n 
1 106 GLY n 
1 107 SER n 
1 108 ARG n 
1 109 LEU n 
1 110 ALA n 
1 111 SER n 
1 112 GLY n 
1 113 VAL n 
1 114 ILE n 
1 115 GLY n 
1 116 ILE n 
1 117 ALA n 
1 118 GLN n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   118 
_entity_src_gen.gene_src_common_name               Human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 SOD1 
_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      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_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      'Escherichia coli K-12' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     83333 
_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                   ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    SODC_HUMAN 
_struct_ref.pdbx_db_accession          P00441 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERH
VGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ
;
_struct_ref.pdbx_align_begin           2 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              6FLH 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 118 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00441 
_struct_ref_seq.db_align_beg                  2 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  154 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       118 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 6FLH ALA A 6   ? UNP P00441 CYS 7   conflict 6   1  
1 6FLH GLU A 50  ? UNP P00441 PHE 51  conflict 50  2  
1 6FLH ?   A ?   ? UNP P00441 ASP 53  deletion ?   3  
1 6FLH ?   A ?   ? UNP P00441 ASN 54  deletion ?   4  
1 6FLH ?   A ?   ? UNP P00441 THR 55  deletion ?   5  
1 6FLH ?   A ?   ? UNP P00441 ALA 56  deletion ?   6  
1 6FLH ?   A ?   ? UNP P00441 GLY 57  deletion ?   7  
1 6FLH ?   A ?   ? UNP P00441 CYS 58  deletion ?   8  
1 6FLH ?   A ?   ? UNP P00441 THR 59  deletion ?   9  
1 6FLH ?   A ?   ? UNP P00441 SER 60  deletion ?   10 
1 6FLH ?   A ?   ? UNP P00441 ALA 61  deletion ?   11 
1 6FLH ?   A ?   ? UNP P00441 GLY 62  deletion ?   12 
1 6FLH ?   A ?   ? UNP P00441 PRO 63  deletion ?   13 
1 6FLH ?   A ?   ? UNP P00441 HIS 64  deletion ?   14 
1 6FLH ?   A ?   ? UNP P00441 PHE 65  deletion ?   15 
1 6FLH ?   A ?   ? UNP P00441 ASN 66  deletion ?   16 
1 6FLH ?   A ?   ? UNP P00441 PRO 67  deletion ?   17 
1 6FLH ?   A ?   ? UNP P00441 LEU 68  deletion ?   18 
1 6FLH ?   A ?   ? UNP P00441 SER 69  deletion ?   19 
1 6FLH ?   A ?   ? UNP P00441 ARG 70  deletion ?   20 
1 6FLH ?   A ?   ? UNP P00441 LYS 71  deletion ?   21 
1 6FLH ?   A ?   ? UNP P00441 HIS 72  deletion ?   22 
1 6FLH ?   A ?   ? UNP P00441 GLY 73  deletion ?   23 
1 6FLH ?   A ?   ? UNP P00441 GLY 74  deletion ?   24 
1 6FLH ?   A ?   ? UNP P00441 PRO 75  deletion ?   25 
1 6FLH ?   A ?   ? UNP P00441 LYS 76  deletion ?   26 
1 6FLH ?   A ?   ? UNP P00441 ASP 77  deletion ?   27 
1 6FLH ?   A ?   ? UNP P00441 GLU 78  deletion ?   28 
1 6FLH ALA A 52  ? UNP P00441 GLU 79  conflict 52  29 
1 6FLH GLY A 53  ? UNP P00441 ARG 80  conflict 53  30 
1 6FLH SER A 85  ? UNP P00441 CYS 112 conflict 85  31 
1 6FLH ?   A ?   ? UNP P00441 LEU 127 deletion ?   32 
1 6FLH ?   A ?   ? UNP P00441 GLY 128 deletion ?   33 
1 6FLH ?   A ?   ? UNP P00441 LYS 129 deletion ?   34 
1 6FLH ?   A ?   ? UNP P00441 GLY 130 deletion ?   35 
1 6FLH ?   A ?   ? UNP P00441 GLY 131 deletion ?   36 
1 6FLH ?   A ?   ? UNP P00441 ASN 132 deletion ?   37 
1 6FLH ?   A ?   ? UNP P00441 GLU 133 deletion ?   38 
1 6FLH ?   A ?   ? UNP P00441 GLU 134 deletion ?   39 
1 6FLH ?   A ?   ? UNP P00441 SER 135 deletion ?   40 
1 6FLH GLY A 100 ? UNP P00441 THR 136 conflict 100 41 
1 6FLH ALA A 101 ? UNP P00441 LYS 137 conflict 101 42 
1 6FLH GLY A 102 ? UNP P00441 THR 138 conflict 102 43 
1 6FLH SER A 111 ? UNP P00441 CYS 147 conflict 111 44 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ?                               'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ?                               'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ?                               'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ?                               'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ?                               'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ?                               'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ?                               'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ?                               'C2 H5 N O2'     75.067  
GOL non-polymer         . GLYCEROL        'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
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 
TRP 'L-peptide linking' y TRYPTOPHAN      ?                               'C11 H12 N2 O2'  204.225 
VAL 'L-peptide linking' y VALINE          ?                               'C5 H11 N O2'    117.146 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   6FLH 
_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            3.74 
_exptl_crystal.density_method              ? 
_exptl_crystal.density_percent_sol         67.12 
_exptl_crystal.description                 ? 
_exptl_crystal.F_000                       ? 
_exptl_crystal.id                          1 
_exptl_crystal.preparation                 ? 
_exptl_crystal.size_max                    ? 
_exptl_crystal.size_mid                    ? 
_exptl_crystal.size_min                    ? 
_exptl_crystal.size_rad                    ? 
_exptl_crystal.colour_lustre               ? 
_exptl_crystal.colour_modifier             ? 
_exptl_crystal.colour_primary              ? 
_exptl_crystal.density_meas                ? 
_exptl_crystal.density_meas_esd            ? 
_exptl_crystal.density_meas_gt             ? 
_exptl_crystal.density_meas_lt             ? 
_exptl_crystal.density_meas_temp           ? 
_exptl_crystal.density_meas_temp_esd       ? 
_exptl_crystal.density_meas_temp_gt        ? 
_exptl_crystal.density_meas_temp_lt        ? 
_exptl_crystal.pdbx_crystal_image_url      ? 
_exptl_crystal.pdbx_crystal_image_format   ? 
_exptl_crystal.pdbx_mosaicity              ? 
_exptl_crystal.pdbx_mosaicity_esd          ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1 M sodium acetate pH 4.6 and 2 M ammonium sulfate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_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   ? 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 S 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2016-07-08 
# 
_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   0.9763 
_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                        'PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9763 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   'P14 (MX2)' 
_diffrn_source.pdbx_synchrotron_site       'PETRA III, EMBL c/o DESY' 
# 
_reflns.B_iso_Wilson_estimate            ? 
_reflns.entry_id                         6FLH 
_reflns.data_reduction_details           ? 
_reflns.data_reduction_method            ? 
_reflns.d_resolution_high                1.790 
_reflns.d_resolution_low                 63.410 
_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                       16779 
_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             98.700 
_reflns.R_free_details                   ? 
_reflns.Rmerge_F_all                     ? 
_reflns.Rmerge_F_obs                     ? 
_reflns.Friedel_coverage                 ? 
_reflns.number_gt                        ? 
_reflns.threshold_expression             ? 
_reflns.pdbx_redundancy                  9.600 
_reflns.pdbx_Rmerge_I_obs                0.084 
_reflns.pdbx_Rmerge_I_all                ? 
_reflns.pdbx_Rsym_value                  ? 
_reflns.pdbx_netI_over_av_sigmaI         ? 
_reflns.pdbx_netI_over_sigmaI            20.100 
_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                  0.088 
_reflns.pdbx_Rpim_I_all                  0.028 
_reflns.pdbx_d_opt                       ? 
_reflns.pdbx_number_measured_all         ? 
_reflns.pdbx_diffrn_id                   1 
_reflns.pdbx_ordinal                     1 
_reflns.pdbx_CC_half                     0.999 
_reflns.pdbx_R_split                     ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_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 
_reflns_shell.percent_possible_all 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_R_split 
1.790 1.830  ? ? ? ? ? ? 810 80.600 ? ? ? ? 0.782 ? ? ? ? ? ? ? ? 6.600 ? ? ? ? 0.844 0.309 ? 1 1 0.718 ? 
8.96  63.410 ? ? ? ? ? ? 160 98.600 ? ? ? ? 0.037 ? ? ? ? ? ? ? ? 7.700 ? ? ? ? 0.040 0.014 ? 2 1 0.998 ? 
# 
_refine.aniso_B[1][1]                            0.0100 
_refine.aniso_B[1][2]                            0.0000 
_refine.aniso_B[1][3]                            0.0000 
_refine.aniso_B[2][2]                            0.0100 
_refine.aniso_B[2][3]                            0.0000 
_refine.aniso_B[3][3]                            -0.0300 
_refine.B_iso_max                                125.750 
_refine.B_iso_mean                               31.4330 
_refine.B_iso_min                                12.190 
_refine.correlation_coeff_Fo_to_Fc               0.9640 
_refine.correlation_coeff_Fo_to_Fc_free          0.9490 
_refine.details                                  
'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES      : REFINED INDIVIDUALLY' 
_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                                 6FLH 
_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                            1.7900 
_refine.ls_d_res_low                             63.4100 
_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                     15915 
_refine.ls_number_reflns_R_free                  863 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.7100 
_refine.ls_percent_reflns_R_free                 5.1000 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1712 
_refine.ls_R_factor_R_free                       0.1966 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1698 
_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                    ? 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_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                          0.000 
_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               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      4BCZ 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.0880 
_refine.pdbx_overall_ESU_R_Free                  0.0890 
_refine.pdbx_solvent_vdw_probe_radii             1.2000 
_refine.pdbx_solvent_ion_probe_radii             0.8000 
_refine.pdbx_solvent_shrinkage_radii             0.8000 
_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                 ? 
_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                             1.9190 
_refine.overall_SU_ML                            0.0590 
_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.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.7900 
_refine_hist.d_res_low                        63.4100 
_refine_hist.pdbx_number_atoms_ligand         11 
_refine_hist.number_atoms_solvent             94 
_refine_hist.number_atoms_total               942 
_refine_hist.pdbx_number_residues_total       118 
_refine_hist.pdbx_B_iso_mean_ligand           35.71 
_refine_hist.pdbx_B_iso_mean_solvent          41.98 
_refine_hist.pdbx_number_atoms_protein        837 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
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' ? 0.025  0.019  891  ? r_bond_refined_d       ? ? 
'X-RAY DIFFRACTION' ? 0.003  0.020  825  ? r_bond_other_d         ? ? 
'X-RAY DIFFRACTION' ? 2.363  1.948  1210 ? r_angle_refined_deg    ? ? 
'X-RAY DIFFRACTION' ? 1.190  3.000  1921 ? r_angle_other_deg      ? ? 
'X-RAY DIFFRACTION' ? 6.756  5.000  125  ? r_dihedral_angle_1_deg ? ? 
'X-RAY DIFFRACTION' ? 39.661 26.286 35   ? r_dihedral_angle_2_deg ? ? 
'X-RAY DIFFRACTION' ? 16.503 15.000 141  ? r_dihedral_angle_3_deg ? ? 
'X-RAY DIFFRACTION' ? 23.451 15.000 2    ? r_dihedral_angle_4_deg ? ? 
'X-RAY DIFFRACTION' ? 0.164  0.200  139  ? r_chiral_restr         ? ? 
'X-RAY DIFFRACTION' ? 0.012  0.020  1047 ? r_gen_planes_refined   ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  159  ? r_gen_planes_other     ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.7920 
_refine_ls_shell.d_res_low                        1.8390 
_refine_ls_shell.number_reflns_all                1032 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             45 
_refine_ls_shell.number_reflns_R_work             987 
_refine_ls_shell.percent_reflns_obs               83.5600 
_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                  0.2560 
_refine_ls_shell.R_factor_R_free_error            0.0000 
_refine_ls_shell.R_factor_R_work                  0.2690 
_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_total_number_of_bins_used   20 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
# 
_struct.entry_id                     6FLH 
_struct.title                        'Monomeric Human Cu,Zn Superoxide dismutase, SOD1 7+7, apo form' 
_struct.pdbx_descriptor              
;Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1,1.15.1.1,1.15.1.1,1.15.1.1)
;
_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        6FLH 
_struct_keywords.text            'SOD1, OXIDOREDUCTASE' 
_struct_keywords.pdbx_keywords   OXIDOREDUCTASE 
# 
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 ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   8 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA1 7 8 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 VAL A 55  ? ALA A 63  ? VAL A 55  ALA A 63  
AA1 2 GLY A 41  ? HIS A 48  ? GLY A 41  HIS A 48  
AA1 3 THR A 90  ? HIS A 94  ? THR A 90  HIS A 94  
AA1 4 ARG A 108 ? GLN A 118 ? ARG A 108 GLN A 118 
AA1 5 LYS A 3   ? LYS A 9   ? LYS A 3   LYS A 9   
AA1 6 GLN A 15  ? GLU A 21  ? GLN A 15  GLU A 21  
AA1 7 VAL A 29  ? LYS A 36  ? VAL A 29  LYS A 36  
AA1 8 ALA A 69  ? ASP A 75  ? ALA A 69  ASP A 75  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O GLY A 56  ? O GLY A 56  N VAL A 47  ? N VAL A 47  
AA1 2 3 N HIS A 46  ? N HIS A 46  O VAL A 92  ? O VAL A 92  
AA1 3 4 N LEU A 91  ? N LEU A 91  O GLY A 112 ? O GLY A 112 
AA1 4 5 O ALA A 117 ? O ALA A 117 N LYS A 3   ? N LYS A 3   
AA1 5 6 N ALA A 6   ? N ALA A 6   O ILE A 18  ? O ILE A 18  
AA1 6 7 N ASN A 19  ? N ASN A 19  O TRP A 32  ? O TRP A 32  
AA1 7 8 N ILE A 35  ? N ILE A 35  O ALA A 69  ? O ALA A 69  
# 
loop_
_struct_site.id 
_struct_site.pdbx_evidence_code 
_struct_site.pdbx_auth_asym_id 
_struct_site.pdbx_auth_comp_id 
_struct_site.pdbx_auth_seq_id 
_struct_site.pdbx_auth_ins_code 
_struct_site.pdbx_num_residues 
_struct_site.details 
AC1 Software A SO4 201 ? 6  'binding site for residue SO4 A 201' 
AC2 Software A GOL 202 ? 11 'binding site for residue GOL A 202' 
# 
loop_
_struct_site_gen.id 
_struct_site_gen.site_id 
_struct_site_gen.pdbx_num_res 
_struct_site_gen.label_comp_id 
_struct_site_gen.label_asym_id 
_struct_site_gen.label_seq_id 
_struct_site_gen.pdbx_auth_ins_code 
_struct_site_gen.auth_comp_id 
_struct_site_gen.auth_asym_id 
_struct_site_gen.auth_seq_id 
_struct_site_gen.label_atom_id 
_struct_site_gen.label_alt_id 
_struct_site_gen.symmetry 
_struct_site_gen.details 
1  AC1 6  HIS A 46  ? HIS A 46  . ? 1_555 ? 
2  AC1 6  HIS A 48  ? HIS A 48  . ? 1_555 ? 
3  AC1 6  VAL A 55  ? VAL A 55  . ? 1_555 ? 
4  AC1 6  VAL A 92  ? VAL A 92  . ? 1_555 ? 
5  AC1 6  HIS A 94  ? HIS A 94  . ? 1_555 ? 
6  AC1 6  ARG A 108 ? ARG A 108 . ? 1_555 ? 
7  AC2 11 GLY A 12  ? GLY A 12  . ? 5_555 ? 
8  AC2 11 PRO A 13  ? PRO A 13  . ? 5_555 ? 
9  AC2 11 LEU A 38  ? LEU A 38  . ? 1_555 ? 
10 AC2 11 THR A 39  ? THR A 39  . ? 1_555 ? 
11 AC2 11 GLU A 40  ? GLU A 40  . ? 1_555 ? 
12 AC2 11 LYS A 65  ? LYS A 65  . ? 1_555 ? 
13 AC2 11 GLY A 67  ? GLY A 67  . ? 1_555 ? 
14 AC2 11 HOH D .   ? HOH A 301 . ? 1_555 ? 
15 AC2 11 HOH D .   ? HOH A 306 . ? 1_555 ? 
16 AC2 11 HOH D .   ? HOH A 317 . ? 1_555 ? 
17 AC2 11 HOH D .   ? HOH A 346 . ? 1_555 ? 
# 
_atom_sites.entry_id                    6FLH 
_atom_sites.fract_transf_matrix[1][1]   0.012017 
_atom_sites.fract_transf_matrix[1][2]   0.006938 
_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]   0.013876 
_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]   0.007492 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   N N   . ALA A 1 1   ? -7.211  -4.605  -32.865 1.00 41.29  ? 1   ALA A N   1 
ATOM   2   C CA  . ALA A 1 1   ? -6.199  -5.311  -31.996 1.00 40.83  ? 1   ALA A CA  1 
ATOM   3   C C   . ALA A 1 1   ? -6.578  -6.754  -31.740 1.00 33.96  ? 1   ALA A C   1 
ATOM   4   O O   . ALA A 1 1   ? -7.671  -7.151  -31.951 1.00 37.86  ? 1   ALA A O   1 
ATOM   5   C CB  . ALA A 1 1   ? -6.040  -4.577  -30.640 1.00 40.59  ? 1   ALA A CB  1 
ATOM   6   N N   . THR A 1 2   ? -5.636  -7.473  -31.200 1.00 30.29  ? 2   THR A N   1 
ATOM   7   C CA  . THR A 1 2   ? -5.812  -8.749  -30.687 1.00 29.37  ? 2   THR A CA  1 
ATOM   8   C C   . THR A 1 2   ? -5.585  -8.843  -29.166 1.00 22.72  ? 2   THR A C   1 
ATOM   9   O O   . THR A 1 2   ? -6.102  -9.747  -28.594 1.00 24.03  ? 2   THR A O   1 
ATOM   10  C CB  . THR A 1 2   ? -5.009  -9.761  -31.458 1.00 32.34  ? 2   THR A CB  1 
ATOM   11  O OG1 . THR A 1 2   ? -5.418  -11.022 -31.017 1.00 50.93  ? 2   THR A OG1 1 
ATOM   12  C CG2 . THR A 1 2   ? -3.541  -9.683  -31.245 1.00 32.07  ? 2   THR A CG2 1 
ATOM   13  N N   . LYS A 1 3   ? -4.836  -7.917  -28.536 1.00 22.25  ? 3   LYS A N   1 
ATOM   14  C CA  . LYS A 1 3   ? -4.784  -7.881  -27.041 1.00 19.41  ? 3   LYS A CA  1 
ATOM   15  C C   . LYS A 1 3   ? -4.811  -6.412  -26.627 1.00 18.88  ? 3   LYS A C   1 
ATOM   16  O O   . LYS A 1 3   ? -4.375  -5.499  -27.349 1.00 19.62  ? 3   LYS A O   1 
ATOM   17  C CB  . LYS A 1 3   ? -3.544  -8.572  -26.554 1.00 21.86  ? 3   LYS A CB  1 
ATOM   18  C CG  . LYS A 1 3   ? -3.394  -10.057 -26.818 1.00 27.40  ? 3   LYS A CG  1 
ATOM   19  C CD  . LYS A 1 3   ? -2.203  -10.580 -26.060 1.00 31.49  ? 3   LYS A CD  1 
ATOM   20  C CE  . LYS A 1 3   ? -2.086  -12.115 -26.025 1.00 34.29  ? 3   LYS A CE  1 
ATOM   21  N NZ  . LYS A 1 3   ? -1.864  -12.487 -27.425 1.00 41.42  ? 3   LYS A NZ  1 
ATOM   22  N N   . ALA A 1 4   ? -5.451  -6.197  -25.477 1.00 21.38  ? 4   ALA A N   1 
ATOM   23  C CA  . ALA A 1 4   ? -5.497  -4.894  -24.848 1.00 20.36  ? 4   ALA A CA  1 
ATOM   24  C C   . ALA A 1 4   ? -5.315  -5.012  -23.328 1.00 17.83  ? 4   ALA A C   1 
ATOM   25  O O   . ALA A 1 4   ? -5.461  -6.101  -22.729 1.00 16.45  ? 4   ALA A O   1 
ATOM   26  C CB  . ALA A 1 4   ? -6.811  -4.217  -25.136 1.00 19.62  ? 4   ALA A CB  1 
ATOM   27  N N   . VAL A 1 5   ? -4.889  -3.914  -22.672 1.00 16.96  ? 5   VAL A N   1 
ATOM   28  C CA  . VAL A 1 5   ? -4.667  -3.953  -21.222 1.00 17.27  ? 5   VAL A CA  1 
ATOM   29  C C   . VAL A 1 5   ? -5.234  -2.608  -20.661 1.00 16.80  ? 5   VAL A C   1 
ATOM   30  O O   . VAL A 1 5   ? -4.952  -1.565  -21.272 1.00 17.12  ? 5   VAL A O   1 
ATOM   31  C CB  . VAL A 1 5   ? -3.155  -3.987  -20.847 1.00 20.30  ? 5   VAL A CB  1 
ATOM   32  C CG1 . VAL A 1 5   ? -3.008  -3.875  -19.360 1.00 20.96  ? 5   VAL A CG1 1 
ATOM   33  C CG2 . VAL A 1 5   ? -2.478  -5.265  -21.297 1.00 23.92  ? 5   VAL A CG2 1 
ATOM   34  N N   . ALA A 1 6   ? -6.054  -2.686  -19.606 1.00 15.46  ? 6   ALA A N   1 
ATOM   35  C CA  . ALA A 1 6   ? -6.472  -1.559  -18.858 1.00 16.29  ? 6   ALA A CA  1 
ATOM   36  C C   . ALA A 1 6   ? -5.893  -1.621  -17.486 1.00 15.28  ? 6   ALA A C   1 
ATOM   37  O O   . ALA A 1 6   ? -6.110  -2.591  -16.686 1.00 16.43  ? 6   ALA A O   1 
ATOM   38  C CB  . ALA A 1 6   ? -7.994  -1.540  -18.712 1.00 18.89  ? 6   ALA A CB  1 
ATOM   39  N N   . VAL A 1 7   ? -5.180  -0.540  -17.125 1.00 16.84  ? 7   VAL A N   1 
ATOM   40  C CA  . VAL A 1 7   ? -4.651  -0.433  -15.776 1.00 15.48  ? 7   VAL A CA  1 
ATOM   41  C C   . VAL A 1 7   ? -5.570  0.522   -14.964 1.00 16.38  ? 7   VAL A C   1 
ATOM   42  O O   . VAL A 1 7   ? -5.795  1.667   -15.351 1.00 16.97  ? 7   VAL A O   1 
ATOM   43  C CB  . VAL A 1 7   ? -3.186  0.126   -15.760 1.00 18.53  ? 7   VAL A CB  1 
ATOM   44  C CG1 . VAL A 1 7   ? -2.637  0.103   -14.336 1.00 19.55  ? 7   VAL A CG1 1 
ATOM   45  C CG2 . VAL A 1 7   ? -2.348  -0.770  -16.645 1.00 22.00  ? 7   VAL A CG2 1 
ATOM   46  N N   . LEU A 1 8   ? -6.142  -0.017  -13.934 1.00 14.18  ? 8   LEU A N   1 
ATOM   47  C CA  . LEU A 1 8   ? -7.229  0.683   -13.175 1.00 16.41  ? 8   LEU A CA  1 
ATOM   48  C C   . LEU A 1 8   ? -6.660  1.335   -11.922 1.00 15.00  ? 8   LEU A C   1 
ATOM   49  O O   . LEU A 1 8   ? -5.977  0.649   -11.134 1.00 17.06  ? 8   LEU A O   1 
ATOM   50  C CB  . LEU A 1 8   ? -8.309  -0.240  -12.744 1.00 18.83  ? 8   LEU A CB  1 
ATOM   51  C CG  . LEU A 1 8   ? -8.899  -1.120  -13.894 1.00 25.58  ? 8   LEU A CG  1 
ATOM   52  C CD1 . LEU A 1 8   ? -9.833  -2.239  -13.362 1.00 27.56  ? 8   LEU A CD1 1 
ATOM   53  C CD2 . LEU A 1 8   ? -9.627  -0.253  -14.799 1.00 28.20  ? 8   LEU A CD2 1 
ATOM   54  N N   . LYS A 1 9   ? -7.022  2.579   -11.718 1.00 15.01  ? 9   LYS A N   1 
ATOM   55  C CA  . LYS A 1 9   ? -6.720  3.243   -10.463 1.00 19.27  ? 9   LYS A CA  1 
ATOM   56  C C   . LYS A 1 9   ? -7.839  4.225   -10.189 1.00 17.08  ? 9   LYS A C   1 
ATOM   57  O O   . LYS A 1 9   ? -8.621  4.690   -11.091 1.00 16.15  ? 9   LYS A O   1 
ATOM   58  C CB  . LYS A 1 9   ? -5.393  3.993   -10.586 1.00 24.75  ? 9   LYS A CB  1 
ATOM   59  C CG  . LYS A 1 9   ? -4.207  2.987   -10.736 1.00 37.72  ? 9   LYS A CG  1 
ATOM   60  C CD  . LYS A 1 9   ? -2.830  3.458   -10.263 1.00 51.89  ? 9   LYS A CD  1 
ATOM   61  C CE  . LYS A 1 9   ? -1.764  2.338   -10.331 1.00 53.43  ? 9   LYS A CE  1 
ATOM   62  N NZ  . LYS A 1 9   ? -0.349  2.852   -10.317 1.00 61.05  ? 9   LYS A NZ  1 
ATOM   63  N N   . GLY A 1 10  ? -7.860  4.613   -8.955  1.00 20.15  ? 10  GLY A N   1 
ATOM   64  C CA  . GLY A 1 10  ? -8.785  5.634   -8.445  1.00 20.82  ? 10  GLY A CA  1 
ATOM   65  C C   . GLY A 1 10  ? -8.063  6.527   -7.411  1.00 22.59  ? 10  GLY A C   1 
ATOM   66  O O   . GLY A 1 10  ? -6.901  6.360   -7.111  1.00 22.70  ? 10  GLY A O   1 
ATOM   67  N N   . ASP A 1 11  ? -8.806  7.404   -6.767  1.00 18.32  ? 11  ASP A N   1 
ATOM   68  C CA  . ASP A 1 11  ? -8.198  8.201   -5.714  1.00 17.63  ? 11  ASP A CA  1 
ATOM   69  C C   . ASP A 1 11  ? -8.146  7.484   -4.372  1.00 18.01  ? 11  ASP A C   1 
ATOM   70  O O   . ASP A 1 11  ? -7.320  7.861   -3.508  1.00 18.23  ? 11  ASP A O   1 
ATOM   71  C CB  . ASP A 1 11  ? -8.942  9.533   -5.592  1.00 19.11  ? 11  ASP A CB  1 
ATOM   72  C CG  . ASP A 1 11  ? -8.571  10.608  -6.714  1.00 22.05  ? 11  ASP A CG  1 
ATOM   73  O OD1 . ASP A 1 11  ? -7.682  10.421  -7.495  1.00 30.98  ? 11  ASP A OD1 1 
ATOM   74  O OD2 . ASP A 1 11  ? -9.401  11.494  -6.806  1.00 33.97  ? 11  ASP A OD2 1 
ATOM   75  N N   . GLY A 1 12  ? -8.956  6.449   -4.186  1.00 16.32  ? 12  GLY A N   1 
ATOM   76  C CA  . GLY A 1 12  ? -8.927  5.571   -3.068  1.00 17.62  ? 12  GLY A CA  1 
ATOM   77  C C   . GLY A 1 12  ? -8.106  4.311   -3.338  1.00 15.23  ? 12  GLY A C   1 
ATOM   78  O O   . GLY A 1 12  ? -7.145  4.353   -4.055  1.00 15.01  ? 12  GLY A O   1 
ATOM   79  N N   . PRO A 1 13  ? -8.376  3.248   -2.563  1.00 14.23  ? 13  PRO A N   1 
ATOM   80  C CA  . PRO A 1 13  ? -7.517  2.113   -2.549  1.00 15.56  ? 13  PRO A CA  1 
ATOM   81  C C   . PRO A 1 13  ? -7.666  1.177   -3.781  1.00 15.29  ? 13  PRO A C   1 
ATOM   82  O O   . PRO A 1 13  ? -6.895  0.198   -3.887  1.00 15.85  ? 13  PRO A O   1 
ATOM   83  C CB  . PRO A 1 13  ? -7.846  1.415   -1.265  1.00 14.76  ? 13  PRO A CB  1 
ATOM   84  C CG  . PRO A 1 13  ? -9.280  1.704   -1.118  1.00 14.98  ? 13  PRO A CG  1 
ATOM   85  C CD  . PRO A 1 13  ? -9.427  3.143   -1.585  1.00 15.08  ? 13  PRO A CD  1 
ATOM   86  N N   . VAL A 1 14  ? -8.728  1.352   -4.562  1.00 12.19  ? 14  VAL A N   1 
ATOM   87  C CA  . VAL A 1 14  ? -9.016  0.314   -5.575  1.00 14.74  ? 14  VAL A CA  1 
ATOM   88  C C   . VAL A 1 14  ? -8.061  0.430   -6.737  1.00 14.75  ? 14  VAL A C   1 
ATOM   89  O O   . VAL A 1 14  ? -7.882  1.526   -7.324  1.00 14.70  ? 14  VAL A O   1 
ATOM   90  C CB  . VAL A 1 14  ? -10.463 0.410   -6.056  1.00 14.42  ? 14  VAL A CB  1 
ATOM   91  C CG1 . VAL A 1 14  ? -10.673 -0.616  -7.198  1.00 13.84  ? 14  VAL A CG1 1 
ATOM   92  C CG2 . VAL A 1 14  ? -11.401 0.231   -4.900  1.00 16.56  ? 14  VAL A CG2 1 
ATOM   93  N N   A GLN A 1 15  ? -7.428  -0.675  -7.092  0.50 15.66  ? 15  GLN A N   1 
ATOM   94  N N   B GLN A 1 15  ? -7.440  -0.677  -7.097  0.50 15.45  ? 15  GLN A N   1 
ATOM   95  C CA  A GLN A 1 15  ? -6.531  -0.673  -8.212  0.50 16.14  ? 15  GLN A CA  1 
ATOM   96  C CA  B GLN A 1 15  ? -6.557  -0.667  -8.219  0.50 15.68  ? 15  GLN A CA  1 
ATOM   97  C C   A GLN A 1 15  ? -6.415  -2.071  -8.767  0.50 15.90  ? 15  GLN A C   1 
ATOM   98  C C   B GLN A 1 15  ? -6.433  -2.067  -8.774  0.50 15.72  ? 15  GLN A C   1 
ATOM   99  O O   A GLN A 1 15  ? -6.483  -3.070  -8.033  0.50 15.73  ? 15  GLN A O   1 
ATOM   100 O O   B GLN A 1 15  ? -6.565  -3.068  -8.060  0.50 16.07  ? 15  GLN A O   1 
ATOM   101 C CB  A GLN A 1 15  ? -5.139  -0.180  -7.834  0.50 20.25  ? 15  GLN A CB  1 
ATOM   102 C CB  B GLN A 1 15  ? -5.189  -0.072  -7.880  0.50 19.12  ? 15  GLN A CB  1 
ATOM   103 C CG  A GLN A 1 15  ? -4.551  -0.942  -6.690  0.50 23.52  ? 15  GLN A CG  1 
ATOM   104 C CG  B GLN A 1 15  ? -4.503  -0.658  -6.698  0.50 21.10  ? 15  GLN A CG  1 
ATOM   105 C CD  A GLN A 1 15  ? -3.086  -1.398  -6.876  0.50 32.24  ? 15  GLN A CD  1 
ATOM   106 C CD  B GLN A 1 15  ? -3.102  -0.047  -6.410  0.50 27.79  ? 15  GLN A CD  1 
ATOM   107 O OE1 A GLN A 1 15  ? -2.752  -2.537  -6.523  0.50 39.96  ? 15  GLN A OE1 1 
ATOM   108 O OE1 B GLN A 1 15  ? -2.494  0.677   -7.247  0.50 36.18  ? 15  GLN A OE1 1 
ATOM   109 N NE2 A GLN A 1 15  ? -2.211  -0.505  -7.372  0.50 34.28  ? 15  GLN A NE2 1 
ATOM   110 N NE2 B GLN A 1 15  ? -2.591  -0.364  -5.238  0.50 29.21  ? 15  GLN A NE2 1 
ATOM   111 N N   . GLY A 1 16  ? -6.077  -2.128  -10.028 1.00 15.39  ? 16  GLY A N   1 
ATOM   112 C CA  . GLY A 1 16  ? -5.883  -3.429  -10.665 1.00 18.01  ? 16  GLY A CA  1 
ATOM   113 C C   . GLY A 1 16  ? -5.509  -3.370  -12.099 1.00 16.19  ? 16  GLY A C   1 
ATOM   114 O O   . GLY A 1 16  ? -5.163  -2.312  -12.663 1.00 16.47  ? 16  GLY A O   1 
ATOM   115 N N   A ILE A 1 17  ? -5.550  -4.535  -12.745 0.50 15.66  ? 17  ILE A N   1 
ATOM   116 N N   B ILE A 1 17  ? -5.526  -4.533  -12.746 0.50 15.99  ? 17  ILE A N   1 
ATOM   117 C CA  A ILE A 1 17  ? -5.188  -4.648  -14.116 0.50 15.93  ? 17  ILE A CA  1 
ATOM   118 C CA  B ILE A 1 17  ? -5.182  -4.622  -14.123 0.50 16.56  ? 17  ILE A CA  1 
ATOM   119 C C   A ILE A 1 17  ? -6.111  -5.692  -14.783 0.50 16.89  ? 17  ILE A C   1 
ATOM   120 C C   B ILE A 1 17  ? -6.058  -5.693  -14.800 0.50 17.24  ? 17  ILE A C   1 
ATOM   121 O O   A ILE A 1 17  ? -6.407  -6.743  -14.216 0.50 18.14  ? 17  ILE A O   1 
ATOM   122 O O   B ILE A 1 17  ? -6.232  -6.784  -14.264 0.50 18.31  ? 17  ILE A O   1 
ATOM   123 C CB  A ILE A 1 17  ? -3.722  -5.000  -14.290 0.50 17.49  ? 17  ILE A CB  1 
ATOM   124 C CB  B ILE A 1 17  ? -3.731  -4.963  -14.283 0.50 18.75  ? 17  ILE A CB  1 
ATOM   125 C CG1 A ILE A 1 17  ? -2.832  -4.024  -13.522 0.50 17.36  ? 17  ILE A CG1 1 
ATOM   126 C CG1 B ILE A 1 17  ? -3.372  -4.944  -15.771 0.50 21.42  ? 17  ILE A CG1 1 
ATOM   127 C CG2 A ILE A 1 17  ? -3.340  -4.931  -15.768 0.50 18.12  ? 17  ILE A CG2 1 
ATOM   128 C CG2 B ILE A 1 17  ? -3.492  -6.318  -13.679 0.50 17.44  ? 17  ILE A CG2 1 
ATOM   129 C CD1 A ILE A 1 17  ? -1.420  -4.310  -13.730 0.50 19.84  ? 17  ILE A CD1 1 
ATOM   130 C CD1 B ILE A 1 17  ? -1.989  -4.432  -16.031 0.50 23.61  ? 17  ILE A CD1 1 
ATOM   131 N N   . ILE A 1 18  ? -6.639  -5.323  -15.916 1.00 14.54  ? 18  ILE A N   1 
ATOM   132 C CA  . ILE A 1 18  ? -7.541  -6.193  -16.711 1.00 16.33  ? 18  ILE A CA  1 
ATOM   133 C C   . ILE A 1 18  ? -6.946  -6.290  -18.110 1.00 14.96  ? 18  ILE A C   1 
ATOM   134 O O   . ILE A 1 18  ? -6.717  -5.273  -18.844 1.00 16.24  ? 18  ILE A O   1 
ATOM   135 C CB  . ILE A 1 18  ? -8.985  -5.701  -16.698 1.00 16.73  ? 18  ILE A CB  1 
ATOM   136 C CG1 . ILE A 1 18  ? -9.510  -5.583  -15.278 1.00 17.72  ? 18  ILE A CG1 1 
ATOM   137 C CG2 . ILE A 1 18  ? -9.834  -6.577  -17.657 1.00 15.74  ? 18  ILE A CG2 1 
ATOM   138 C CD1 . ILE A 1 18  ? -9.724  -6.913  -14.573 1.00 19.63  ? 18  ILE A CD1 1 
ATOM   139 N N   . ASN A 1 19  ? -6.812  -7.569  -18.545 1.00 18.32  ? 19  ASN A N   1 
ATOM   140 C CA  . ASN A 1 19  ? -6.335  -7.900  -19.838 1.00 16.24  ? 19  ASN A CA  1 
ATOM   141 C C   . ASN A 1 19  ? -7.511  -8.435  -20.781 1.00 16.49  ? 19  ASN A C   1 
ATOM   142 O O   . ASN A 1 19  ? -8.476  -8.963  -20.246 1.00 16.60  ? 19  ASN A O   1 
ATOM   143 C CB  . ASN A 1 19  ? -5.271  -9.000  -19.757 1.00 18.07  ? 19  ASN A CB  1 
ATOM   144 C CG  . ASN A 1 19  ? -4.183  -8.682  -18.777 1.00 18.09  ? 19  ASN A CG  1 
ATOM   145 O OD1 . ASN A 1 19  ? -3.528  -7.679  -18.953 1.00 20.09  ? 19  ASN A OD1 1 
ATOM   146 N ND2 . ASN A 1 19  ? -4.052  -9.494  -17.656 1.00 17.90  ? 19  ASN A ND2 1 
ATOM   147 N N   . PHE A 1 20  ? -7.361  -8.175  -22.065 1.00 16.93  ? 20  PHE A N   1 
ATOM   148 C CA  . PHE A 1 20  ? -8.326  -8.610  -23.095 1.00 15.81  ? 20  PHE A CA  1 
ATOM   149 C C   . PHE A 1 20  ? -7.547  -9.311  -24.198 1.00 19.19  ? 20  PHE A C   1 
ATOM   150 O O   . PHE A 1 20  ? -6.513  -8.831  -24.667 1.00 20.70  ? 20  PHE A O   1 
ATOM   151 C CB  . PHE A 1 20  ? -9.031  -7.412  -23.678 1.00 18.81  ? 20  PHE A CB  1 
ATOM   152 C CG  . PHE A 1 20  ? -9.776  -6.512  -22.661 1.00 17.95  ? 20  PHE A CG  1 
ATOM   153 C CD1 . PHE A 1 20  ? -9.091  -5.567  -21.867 1.00 17.77  ? 20  PHE A CD1 1 
ATOM   154 C CD2 . PHE A 1 20  ? -11.124 -6.580  -22.528 1.00 17.65  ? 20  PHE A CD2 1 
ATOM   155 C CE1 . PHE A 1 20  ? -9.819  -4.781  -20.986 1.00 16.44  ? 20  PHE A CE1 1 
ATOM   156 C CE2 . PHE A 1 20  ? -11.856 -5.726  -21.708 1.00 18.90  ? 20  PHE A CE2 1 
ATOM   157 C CZ  . PHE A 1 20  ? -11.197 -4.853  -20.875 1.00 19.29  ? 20  PHE A CZ  1 
ATOM   158 N N   . GLU A 1 21  ? -8.135  -10.402 -24.751 1.00 19.88  ? 21  GLU A N   1 
ATOM   159 C CA  . GLU A 1 21  ? -7.531  -11.021 -25.863 1.00 21.63  ? 21  GLU A CA  1 
ATOM   160 C C   . GLU A 1 21  ? -8.683  -11.485 -26.757 1.00 21.43  ? 21  GLU A C   1 
ATOM   161 O O   . GLU A 1 21  ? -9.675  -12.053 -26.217 1.00 21.97  ? 21  GLU A O   1 
ATOM   162 C CB  . GLU A 1 21  ? -6.788  -12.279 -25.398 1.00 26.17  ? 21  GLU A CB  1 
ATOM   163 C CG  . GLU A 1 21  ? -6.263  -13.141 -26.532 1.00 38.55  ? 21  GLU A CG  1 
ATOM   164 C CD  . GLU A 1 21  ? -5.279  -14.238 -26.119 1.00 50.74  ? 21  GLU A CD  1 
ATOM   165 O OE1 . GLU A 1 21  ? -4.991  -14.376 -24.888 1.00 50.56  ? 21  GLU A OE1 1 
ATOM   166 O OE2 . GLU A 1 21  ? -4.794  -14.935 -27.066 1.00 58.49  ? 21  GLU A OE2 1 
ATOM   167 N N   . GLN A 1 22  ? -8.443  -11.364 -28.046 1.00 24.50  ? 22  GLN A N   1 
ATOM   168 C CA  . GLN A 1 22  ? -9.456  -11.823 -29.058 1.00 24.84  ? 22  GLN A CA  1 
ATOM   169 C C   . GLN A 1 22  ? -8.634  -12.426 -30.219 1.00 32.71  ? 22  GLN A C   1 
ATOM   170 O O   . GLN A 1 22  ? -7.931  -11.720 -30.933 1.00 30.76  ? 22  GLN A O   1 
ATOM   171 C CB  . GLN A 1 22  ? -10.234 -10.676 -29.521 1.00 24.87  ? 22  GLN A CB  1 
ATOM   172 C CG  . GLN A 1 22  ? -11.422 -11.005 -30.458 1.00 26.59  ? 22  GLN A CG  1 
ATOM   173 C CD  . GLN A 1 22  ? -12.162 -9.815  -30.900 1.00 26.26  ? 22  GLN A CD  1 
ATOM   174 O OE1 . GLN A 1 22  ? -11.578 -8.756  -31.017 1.00 29.29  ? 22  GLN A OE1 1 
ATOM   175 N NE2 . GLN A 1 22  ? -13.499 -9.939  -31.134 1.00 28.81  ? 22  GLN A NE2 1 
ATOM   176 N N   . LYS A 1 23  ? -8.709  -13.722 -30.316 1.00 37.64  ? 23  LYS A N   1 
ATOM   177 C CA  . LYS A 1 23  ? -8.063  -14.491 -31.416 1.00 46.42  ? 23  LYS A CA  1 
ATOM   178 C C   . LYS A 1 23  ? -8.670  -14.278 -32.791 1.00 45.80  ? 23  LYS A C   1 
ATOM   179 O O   . LYS A 1 23  ? -7.944  -14.196 -33.762 1.00 48.08  ? 23  LYS A O   1 
ATOM   180 C CB  . LYS A 1 23  ? -8.063  -15.959 -31.054 1.00 52.19  ? 23  LYS A CB  1 
ATOM   181 C CG  . LYS A 1 23  ? -6.976  -16.253 -30.019 1.00 60.64  ? 23  LYS A CG  1 
ATOM   182 C CD  . LYS A 1 23  ? -7.375  -17.322 -29.017 1.00 71.60  ? 23  LYS A CD  1 
ATOM   183 C CE  . LYS A 1 23  ? -6.232  -17.644 -28.060 1.00 75.86  ? 23  LYS A CE  1 
ATOM   184 N NZ  . LYS A 1 23  ? -6.386  -19.021 -27.502 1.00 78.66  ? 23  LYS A NZ  1 
ATOM   185 N N   . GLU A 1 24  ? -9.971  -14.120 -32.876 1.00 43.73  ? 24  GLU A N   1 
ATOM   186 C CA  . GLU A 1 24  ? -10.624 -13.839 -34.140 1.00 49.93  ? 24  GLU A CA  1 
ATOM   187 C C   . GLU A 1 24  ? -11.538 -12.656 -34.155 1.00 47.12  ? 24  GLU A C   1 
ATOM   188 O O   . GLU A 1 24  ? -12.318 -12.395 -33.198 1.00 44.75  ? 24  GLU A O   1 
ATOM   189 C CB  . GLU A 1 24  ? -11.455 -15.077 -34.539 1.00 58.99  ? 24  GLU A CB  1 
ATOM   190 C CG  . GLU A 1 24  ? -10.818 -15.915 -35.647 1.00 75.10  ? 24  GLU A CG  1 
ATOM   191 C CD  . GLU A 1 24  ? -10.417 -17.297 -35.174 1.00 81.44  ? 24  GLU A CD  1 
ATOM   192 O OE1 . GLU A 1 24  ? -9.221  -17.659 -35.352 1.00 74.29  ? 24  GLU A OE1 1 
ATOM   193 O OE2 . GLU A 1 24  ? -11.316 -18.004 -34.642 1.00 80.85  ? 24  GLU A OE2 1 
ATOM   194 N N   . SER A 1 25  ? -11.559 -11.980 -35.289 1.00 42.60  ? 25  SER A N   1 
ATOM   195 C CA  . SER A 1 25  ? -12.357 -10.754 -35.414 1.00 45.47  ? 25  SER A CA  1 
ATOM   196 C C   . SER A 1 25  ? -13.820 -10.821 -35.049 1.00 53.30  ? 25  SER A C   1 
ATOM   197 O O   . SER A 1 25  ? -14.348 -9.799  -34.587 1.00 58.60  ? 25  SER A O   1 
ATOM   198 C CB  . SER A 1 25  ? -12.235 -10.078 -36.803 1.00 55.42  ? 25  SER A CB  1 
ATOM   199 O OG  . SER A 1 25  ? -11.431 -10.809 -37.713 1.00 64.23  ? 25  SER A OG  1 
ATOM   200 N N   . ASN A 1 26  ? -14.536 -11.923 -35.272 1.00 49.36  ? 26  ASN A N   1 
ATOM   201 C CA  . ASN A 1 26  ? -15.919 -11.869 -34.768 1.00 55.36  ? 26  ASN A CA  1 
ATOM   202 C C   . ASN A 1 26  ? -16.101 -12.739 -33.520 1.00 53.88  ? 26  ASN A C   1 
ATOM   203 O O   . ASN A 1 26  ? -17.227 -12.840 -33.023 1.00 56.79  ? 26  ASN A O   1 
ATOM   204 C CB  . ASN A 1 26  ? -16.981 -12.069 -35.881 1.00 62.30  ? 26  ASN A CB  1 
ATOM   205 C CG  . ASN A 1 26  ? -17.352 -10.747 -36.568 1.00 65.37  ? 26  ASN A CG  1 
ATOM   206 O OD1 . ASN A 1 26  ? -16.839 -10.427 -37.643 1.00 72.61  ? 26  ASN A OD1 1 
ATOM   207 N ND2 . ASN A 1 26  ? -18.186 -9.947  -35.916 1.00 62.78  ? 26  ASN A ND2 1 
ATOM   208 N N   . GLY A 1 27  ? -14.975 -13.231 -32.960 1.00 41.24  ? 27  GLY A N   1 
ATOM   209 C CA  . GLY A 1 27  ? -14.984 -14.212 -31.886 1.00 39.74  ? 27  GLY A CA  1 
ATOM   210 C C   . GLY A 1 27  ? -15.028 -13.532 -30.506 1.00 34.39  ? 27  GLY A C   1 
ATOM   211 O O   . GLY A 1 27  ? -14.959 -12.314 -30.418 1.00 32.30  ? 27  GLY A O   1 
ATOM   212 N N   . PRO A 1 28  ? -15.272 -14.319 -29.459 1.00 34.04  ? 28  PRO A N   1 
ATOM   213 C CA  . PRO A 1 28  ? -15.392 -13.738 -28.125 1.00 29.50  ? 28  PRO A CA  1 
ATOM   214 C C   . PRO A 1 28  ? -13.996 -13.175 -27.642 1.00 28.01  ? 28  PRO A C   1 
ATOM   215 O O   . PRO A 1 28  ? -12.906 -13.526 -28.142 1.00 25.35  ? 28  PRO A O   1 
ATOM   216 C CB  . PRO A 1 28  ? -15.802 -14.876 -27.246 1.00 30.28  ? 28  PRO A CB  1 
ATOM   217 C CG  . PRO A 1 28  ? -15.537 -16.090 -27.998 1.00 36.85  ? 28  PRO A CG  1 
ATOM   218 C CD  . PRO A 1 28  ? -15.325 -15.777 -29.424 1.00 36.13  ? 28  PRO A CD  1 
ATOM   219 N N   . VAL A 1 29  ? -14.138 -12.242 -26.746 1.00 26.19  ? 29  VAL A N   1 
ATOM   220 C CA  . VAL A 1 29  ? -12.959 -11.632 -26.017 1.00 23.83  ? 29  VAL A CA  1 
ATOM   221 C C   . VAL A 1 29  ? -12.814 -12.294 -24.645 1.00 22.53  ? 29  VAL A C   1 
ATOM   222 O O   . VAL A 1 29  ? -13.750 -12.370 -23.847 1.00 24.27  ? 29  VAL A O   1 
ATOM   223 C CB  . VAL A 1 29  ? -13.199 -10.174 -25.905 1.00 26.02  ? 29  VAL A CB  1 
ATOM   224 C CG1 . VAL A 1 29  ? -11.971 -9.508  -25.221 1.00 22.63  ? 29  VAL A CG1 1 
ATOM   225 C CG2 . VAL A 1 29  ? -13.422 -9.546  -27.266 1.00 25.23  ? 29  VAL A CG2 1 
ATOM   226 N N   . LYS A 1 30  ? -11.635 -12.789 -24.352 1.00 21.50  ? 30  LYS A N   1 
ATOM   227 C CA  . LYS A 1 30  ? -11.254 -13.258 -23.044 1.00 21.48  ? 30  LYS A CA  1 
ATOM   228 C C   . LYS A 1 30  ? -10.775 -12.067 -22.180 1.00 22.56  ? 30  LYS A C   1 
ATOM   229 O O   . LYS A 1 30  ? -10.062 -11.261 -22.694 1.00 20.53  ? 30  LYS A O   1 
ATOM   230 C CB  . LYS A 1 30  ? -10.120 -14.254 -23.122 1.00 27.34  ? 30  LYS A CB  1 
ATOM   231 C CG  . LYS A 1 30  ? -9.802  -14.847 -21.733 1.00 34.63  ? 30  LYS A CG  1 
ATOM   232 C CD  . LYS A 1 30  ? -8.904  -16.069 -21.686 1.00 49.92  ? 30  LYS A CD  1 
ATOM   233 C CE  . LYS A 1 30  ? -8.967  -16.741 -20.299 1.00 59.01  ? 30  LYS A CE  1 
ATOM   234 N NZ  . LYS A 1 30  ? -7.606  -17.221 -19.839 1.00 66.11  ? 30  LYS A NZ  1 
ATOM   235 N N   . VAL A 1 31  ? -11.430 -11.871 -21.033 1.00 20.78  ? 31  VAL A N   1 
ATOM   236 C CA  . VAL A 1 31  ? -11.162 -10.720 -20.098 1.00 19.83  ? 31  VAL A CA  1 
ATOM   237 C C   . VAL A 1 31  ? -10.666 -11.347 -18.833 1.00 21.39  ? 31  VAL A C   1 
ATOM   238 O O   . VAL A 1 31  ? -11.329 -12.180 -18.216 1.00 21.62  ? 31  VAL A O   1 
ATOM   239 C CB  . VAL A 1 31  ? -12.454 -9.924  -19.848 1.00 22.99  ? 31  VAL A CB  1 
ATOM   240 C CG1 . VAL A 1 31  ? -12.169 -8.658  -19.046 1.00 25.50  ? 31  VAL A CG1 1 
ATOM   241 C CG2 . VAL A 1 31  ? -13.089 -9.521  -21.177 1.00 21.66  ? 31  VAL A CG2 1 
ATOM   242 N N   . TRP A 1 32  ? -9.452  -10.969 -18.382 1.00 18.28  ? 32  TRP A N   1 
ATOM   243 C CA  . TRP A 1 32  ? -8.934  -11.593 -17.218 1.00 17.37  ? 32  TRP A CA  1 
ATOM   244 C C   . TRP A 1 32  ? -7.968  -10.620 -16.515 1.00 16.90  ? 32  TRP A C   1 
ATOM   245 O O   . TRP A 1 32  ? -7.374  -9.758  -17.163 1.00 17.28  ? 32  TRP A O   1 
ATOM   246 C CB  . TRP A 1 32  ? -8.146  -12.861 -17.485 1.00 20.55  ? 32  TRP A CB  1 
ATOM   247 C CG  . TRP A 1 32  ? -6.798  -12.754 -18.051 1.00 20.70  ? 32  TRP A CG  1 
ATOM   248 C CD1 . TRP A 1 32  ? -5.633  -12.973 -17.358 1.00 23.62  ? 32  TRP A CD1 1 
ATOM   249 C CD2 . TRP A 1 32  ? -6.425  -12.504 -19.400 1.00 22.05  ? 32  TRP A CD2 1 
ATOM   250 N NE1 . TRP A 1 32  ? -4.595  -12.850 -18.196 1.00 24.23  ? 32  TRP A NE1 1 
ATOM   251 C CE2 . TRP A 1 32  ? -5.035  -12.559 -19.454 1.00 23.46  ? 32  TRP A CE2 1 
ATOM   252 C CE3 . TRP A 1 32  ? -7.144  -12.254 -20.575 1.00 24.28  ? 32  TRP A CE3 1 
ATOM   253 C CZ2 . TRP A 1 32  ? -4.294  -12.292 -20.632 1.00 24.23  ? 32  TRP A CZ2 1 
ATOM   254 C CZ3 . TRP A 1 32  ? -6.472  -11.961 -21.758 1.00 23.00  ? 32  TRP A CZ3 1 
ATOM   255 C CH2 . TRP A 1 32  ? -5.025  -12.035 -21.806 1.00 27.65  ? 32  TRP A CH2 1 
ATOM   256 N N   . GLY A 1 33  ? -7.913  -10.813 -15.255 1.00 15.76  ? 33  GLY A N   1 
ATOM   257 C CA  . GLY A 1 33  ? -6.917  -10.072 -14.370 1.00 16.54  ? 33  GLY A CA  1 
ATOM   258 C C   . GLY A 1 33  ? -7.366  -10.033 -12.954 1.00 16.11  ? 33  GLY A C   1 
ATOM   259 O O   . GLY A 1 33  ? -8.038  -10.916 -12.460 1.00 17.14  ? 33  GLY A O   1 
ATOM   260 N N   . SER A 1 34  ? -7.029  -8.909  -12.225 1.00 18.02  ? 34  SER A N   1 
ATOM   261 C CA  . SER A 1 34  ? -7.479  -8.830  -10.810 1.00 17.95  ? 34  SER A CA  1 
ATOM   262 C C   . SER A 1 34  ? -7.491  -7.381  -10.348 1.00 16.90  ? 34  SER A C   1 
ATOM   263 O O   . SER A 1 34  ? -6.855  -6.539  -10.937 1.00 16.37  ? 34  SER A O   1 
ATOM   264 C CB  . SER A 1 34  ? -6.555  -9.617  -9.862  1.00 22.86  ? 34  SER A CB  1 
ATOM   265 O OG  . SER A 1 34  ? -5.260  -9.060  -10.007 1.00 29.38  ? 34  SER A OG  1 
ATOM   266 N N   . ILE A 1 35  ? -8.410  -7.136  -9.437  1.00 15.73  ? 35  ILE A N   1 
ATOM   267 C CA  . ILE A 1 35  ? -8.638  -5.815  -8.877  1.00 16.94  ? 35  ILE A CA  1 
ATOM   268 C C   . ILE A 1 35  ? -8.614  -5.983  -7.384  1.00 18.00  ? 35  ILE A C   1 
ATOM   269 O O   . ILE A 1 35  ? -9.228  -6.944  -6.835  1.00 18.05  ? 35  ILE A O   1 
ATOM   270 C CB  . ILE A 1 35  ? -9.975  -5.257  -9.336  1.00 19.36  ? 35  ILE A CB  1 
ATOM   271 C CG1 . ILE A 1 35  ? -10.086 -5.235  -10.859 1.00 20.21  ? 35  ILE A CG1 1 
ATOM   272 C CG2 . ILE A 1 35  ? -10.231 -3.883  -8.674  1.00 17.39  ? 35  ILE A CG2 1 
ATOM   273 C CD1 . ILE A 1 35  ? -11.458 -4.947  -11.369 1.00 23.95  ? 35  ILE A CD1 1 
ATOM   274 N N   . LYS A 1 36  ? -7.886  -5.114  -6.641  1.00 14.30  ? 36  LYS A N   1 
ATOM   275 C CA  . LYS A 1 36  ? -7.774  -5.192  -5.201  1.00 15.66  ? 36  LYS A CA  1 
ATOM   276 C C   . LYS A 1 36  ? -8.286  -3.871  -4.618  1.00 13.99  ? 36  LYS A C   1 
ATOM   277 O O   . LYS A 1 36  ? -8.626  -2.939  -5.367  1.00 14.99  ? 36  LYS A O   1 
ATOM   278 C CB  . LYS A 1 36  ? -6.223  -5.258  -4.793  1.00 19.60  ? 36  LYS A CB  1 
ATOM   279 C CG  . LYS A 1 36  ? -5.524  -6.351  -5.608  1.00 30.54  ? 36  LYS A CG  1 
ATOM   280 C CD  . LYS A 1 36  ? -3.988  -6.487  -5.315  1.00 39.76  ? 36  LYS A CD  1 
ATOM   281 C CE  . LYS A 1 36  ? -3.660  -7.506  -4.303  1.00 41.06  ? 36  LYS A CE  1 
ATOM   282 N NZ  . LYS A 1 36  ? -2.671  -7.160  -3.185  1.00 43.86  ? 36  LYS A NZ  1 
ATOM   283 N N   . GLY A 1 37  ? -8.418  -3.901  -3.337  1.00 13.50  ? 37  GLY A N   1 
ATOM   284 C CA  . GLY A 1 37  ? -8.901  -2.757  -2.514  1.00 15.27  ? 37  GLY A CA  1 
ATOM   285 C C   . GLY A 1 37  ? -10.425 -2.632  -2.432  1.00 14.68  ? 37  GLY A C   1 
ATOM   286 O O   . GLY A 1 37  ? -10.927 -1.574  -2.027  1.00 14.92  ? 37  GLY A O   1 
ATOM   287 N N   . LEU A 1 38  ? -11.208 -3.676  -2.815  1.00 13.21  ? 38  LEU A N   1 
ATOM   288 C CA  . LEU A 1 38  ? -12.642 -3.627  -2.841  1.00 13.57  ? 38  LEU A CA  1 
ATOM   289 C C   . LEU A 1 38  ? -13.272 -4.196  -1.609  1.00 15.13  ? 38  LEU A C   1 
ATOM   290 O O   . LEU A 1 38  ? -12.669 -5.045  -0.938  1.00 17.03  ? 38  LEU A O   1 
ATOM   291 C CB  . LEU A 1 38  ? -13.091 -4.490  -4.051  1.00 14.38  ? 38  LEU A CB  1 
ATOM   292 C CG  . LEU A 1 38  ? -12.766 -3.973  -5.421  1.00 15.44  ? 38  LEU A CG  1 
ATOM   293 C CD1 . LEU A 1 38  ? -12.884 -5.107  -6.451  1.00 18.63  ? 38  LEU A CD1 1 
ATOM   294 C CD2 . LEU A 1 38  ? -13.657 -2.885  -5.836  1.00 15.14  ? 38  LEU A CD2 1 
ATOM   295 N N   . THR A 1 39  ? -14.474 -3.730  -1.220  1.00 15.26  ? 39  THR A N   1 
ATOM   296 C CA  . THR A 1 39  ? -15.236 -4.443  -0.247  1.00 16.09  ? 39  THR A CA  1 
ATOM   297 C C   . THR A 1 39  ? -15.649 -5.855  -0.796  1.00 17.13  ? 39  THR A C   1 
ATOM   298 O O   . THR A 1 39  ? -15.894 -5.992  -1.952  1.00 19.48  ? 39  THR A O   1 
ATOM   299 C CB  . THR A 1 39  ? -16.496 -3.661  0.190   1.00 19.00  ? 39  THR A CB  1 
ATOM   300 O OG1 . THR A 1 39  ? -17.285 -3.415  -0.947  1.00 20.38  ? 39  THR A OG1 1 
ATOM   301 C CG2 . THR A 1 39  ? -16.088 -2.356  0.803   1.00 17.57  ? 39  THR A CG2 1 
ATOM   302 N N   . GLU A 1 40  ? -15.708 -6.831  0.101   1.00 17.69  ? 40  GLU A N   1 
ATOM   303 C CA  . GLU A 1 40  ? -16.080 -8.214  -0.211  1.00 17.03  ? 40  GLU A CA  1 
ATOM   304 C C   . GLU A 1 40  ? -17.490 -8.163  -0.941  1.00 18.37  ? 40  GLU A C   1 
ATOM   305 O O   . GLU A 1 40  ? -18.372 -7.421  -0.531  1.00 18.38  ? 40  GLU A O   1 
ATOM   306 C CB  . GLU A 1 40  ? -16.133 -9.036  1.014   1.00 19.68  ? 40  GLU A CB  1 
ATOM   307 C CG  . GLU A 1 40  ? -16.381 -10.496 0.736   1.00 21.75  ? 40  GLU A CG  1 
ATOM   308 C CD  . GLU A 1 40  ? -16.317 -11.339 2.009   1.00 27.24  ? 40  GLU A CD  1 
ATOM   309 O OE1 . GLU A 1 40  ? -16.082 -10.835 3.098   1.00 27.59  ? 40  GLU A OE1 1 
ATOM   310 O OE2 . GLU A 1 40  ? -16.440 -12.553 1.897   1.00 29.94  ? 40  GLU A OE2 1 
ATOM   311 N N   . GLY A 1 41  ? -17.603 -8.990  -1.942  1.00 18.95  ? 41  GLY A N   1 
ATOM   312 C CA  . GLY A 1 41  ? -18.862 -9.127  -2.712  1.00 20.95  ? 41  GLY A CA  1 
ATOM   313 C C   . GLY A 1 41  ? -18.835 -8.473  -4.055  1.00 21.07  ? 41  GLY A C   1 
ATOM   314 O O   . GLY A 1 41  ? -17.788 -8.334  -4.770  1.00 17.57  ? 41  GLY A O   1 
ATOM   315 N N   . LEU A 1 42  ? -20.032 -8.218  -4.568  1.00 20.13  ? 42  LEU A N   1 
ATOM   316 C CA  . LEU A 1 42  ? -20.161 -7.830  -5.930  1.00 19.02  ? 42  LEU A CA  1 
ATOM   317 C C   . LEU A 1 42  ? -19.958 -6.354  -6.265  1.00 17.19  ? 42  LEU A C   1 
ATOM   318 O O   . LEU A 1 42  ? -20.454 -5.436  -5.555  1.00 19.69  ? 42  LEU A O   1 
ATOM   319 C CB  . LEU A 1 42  ? -21.606 -8.173  -6.401  1.00 22.18  ? 42  LEU A CB  1 
ATOM   320 C CG  . LEU A 1 42  ? -21.969 -9.639  -6.336  1.00 24.79  ? 42  LEU A CG  1 
ATOM   321 C CD1 . LEU A 1 42  ? -23.519 -9.751  -6.623  1.00 29.64  ? 42  LEU A CD1 1 
ATOM   322 C CD2 . LEU A 1 42  ? -21.250 -10.421 -7.365  1.00 25.77  ? 42  LEU A CD2 1 
ATOM   323 N N   . HIS A 1 43  ? -19.254 -6.112  -7.334  1.00 17.07  ? 43  HIS A N   1 
ATOM   324 C CA  . HIS A 1 43  ? -19.044 -4.774  -7.923  1.00 16.93  ? 43  HIS A CA  1 
ATOM   325 C C   . HIS A 1 43  ? -19.263 -4.665  -9.387  1.00 16.74  ? 43  HIS A C   1 
ATOM   326 O O   . HIS A 1 43  ? -18.598 -5.393  -10.193 1.00 18.76  ? 43  HIS A O   1 
ATOM   327 C CB  . HIS A 1 43  ? -17.596 -4.294  -7.589  1.00 19.36  ? 43  HIS A CB  1 
ATOM   328 C CG  . HIS A 1 43  ? -17.351 -4.229  -6.151  1.00 18.11  ? 43  HIS A CG  1 
ATOM   329 N ND1 . HIS A 1 43  ? -17.567 -3.051  -5.438  1.00 17.46  ? 43  HIS A ND1 1 
ATOM   330 C CD2 . HIS A 1 43  ? -16.950 -5.176  -5.252  1.00 16.07  ? 43  HIS A CD2 1 
ATOM   331 C CE1 . HIS A 1 43  ? -17.251 -3.280  -4.178  1.00 17.26  ? 43  HIS A CE1 1 
ATOM   332 N NE2 . HIS A 1 43  ? -16.950 -4.565  -4.022  1.00 18.19  ? 43  HIS A NE2 1 
ATOM   333 N N   . GLY A 1 44  ? -20.084 -3.682  -9.773  1.00 16.46  ? 44  GLY A N   1 
ATOM   334 C CA  . GLY A 1 44  ? -20.377 -3.405  -11.172 1.00 17.97  ? 44  GLY A CA  1 
ATOM   335 C C   . GLY A 1 44  ? -19.131 -3.137  -12.002 1.00 21.45  ? 44  GLY A C   1 
ATOM   336 O O   . GLY A 1 44  ? -18.228 -2.430  -11.525 1.00 20.26  ? 44  GLY A O   1 
ATOM   337 N N   . PHE A 1 45  ? -19.086 -3.668  -13.189 1.00 19.09  ? 45  PHE A N   1 
ATOM   338 C CA  . PHE A 1 45  ? -17.903 -3.628  -14.102 1.00 18.77  ? 45  PHE A CA  1 
ATOM   339 C C   . PHE A 1 45  ? -18.358 -3.189  -15.483 1.00 22.41  ? 45  PHE A C   1 
ATOM   340 O O   . PHE A 1 45  ? -19.126 -3.938  -16.127 1.00 21.36  ? 45  PHE A O   1 
ATOM   341 C CB  . PHE A 1 45  ? -17.324 -5.010  -14.014 1.00 20.62  ? 45  PHE A CB  1 
ATOM   342 C CG  . PHE A 1 45  ? -15.965 -5.216  -14.659 1.00 20.05  ? 45  PHE A CG  1 
ATOM   343 C CD1 . PHE A 1 45  ? -14.930 -4.388  -14.367 1.00 22.46  ? 45  PHE A CD1 1 
ATOM   344 C CD2 . PHE A 1 45  ? -15.678 -6.398  -15.372 1.00 22.61  ? 45  PHE A CD2 1 
ATOM   345 C CE1 . PHE A 1 45  ? -13.650 -4.632  -14.829 1.00 23.19  ? 45  PHE A CE1 1 
ATOM   346 C CE2 . PHE A 1 45  ? -14.410 -6.661  -15.804 1.00 23.05  ? 45  PHE A CE2 1 
ATOM   347 C CZ  . PHE A 1 45  ? -13.400 -5.779  -15.563 1.00 23.04  ? 45  PHE A CZ  1 
ATOM   348 N N   . HIS A 1 46  ? -18.026 -1.981  -15.952 1.00 20.61  ? 46  HIS A N   1 
ATOM   349 C CA  . HIS A 1 46  ? -18.603 -1.439  -17.167 1.00 23.15  ? 46  HIS A CA  1 
ATOM   350 C C   . HIS A 1 46  ? -17.509 -0.910  -18.090 1.00 25.79  ? 46  HIS A C   1 
ATOM   351 O O   . HIS A 1 46  ? -16.458 -0.409  -17.614 1.00 19.96  ? 46  HIS A O   1 
ATOM   352 C CB  . HIS A 1 46  ? -19.509 -0.237  -16.890 1.00 26.12  ? 46  HIS A CB  1 
ATOM   353 C CG  . HIS A 1 46  ? -20.741 -0.511  -16.094 1.00 27.36  ? 46  HIS A CG  1 
ATOM   354 N ND1 . HIS A 1 46  ? -21.441 0.525   -15.492 1.00 31.84  ? 46  HIS A ND1 1 
ATOM   355 C CD2 . HIS A 1 46  ? -21.381 -1.655  -15.748 1.00 29.64  ? 46  HIS A CD2 1 
ATOM   356 C CE1 . HIS A 1 46  ? -22.453 0.017   -14.793 1.00 33.50  ? 46  HIS A CE1 1 
ATOM   357 N NE2 . HIS A 1 46  ? -22.452 -1.299  -14.949 1.00 31.67  ? 46  HIS A NE2 1 
ATOM   358 N N   . VAL A 1 47  ? -17.787 -0.888  -19.397 1.00 22.13  ? 47  VAL A N   1 
ATOM   359 C CA  . VAL A 1 47  ? -17.023 -0.136  -20.378 1.00 22.51  ? 47  VAL A CA  1 
ATOM   360 C C   . VAL A 1 47  ? -17.839 1.094   -20.726 1.00 30.70  ? 47  VAL A C   1 
ATOM   361 O O   . VAL A 1 47  ? -18.992 0.988   -21.104 1.00 27.24  ? 47  VAL A O   1 
ATOM   362 C CB  . VAL A 1 47  ? -16.742 -0.924  -21.664 1.00 25.64  ? 47  VAL A CB  1 
ATOM   363 C CG1 . VAL A 1 47  ? -15.885 -0.096  -22.591 1.00 28.98  ? 47  VAL A CG1 1 
ATOM   364 C CG2 . VAL A 1 47  ? -16.029 -2.250  -21.379 1.00 30.70  ? 47  VAL A CG2 1 
ATOM   365 N N   . HIS A 1 48  ? -17.235 2.264   -20.591 1.00 29.34  ? 48  HIS A N   1 
ATOM   366 C CA  . HIS A 1 48  ? -17.770 3.583   -20.982 1.00 36.62  ? 48  HIS A CA  1 
ATOM   367 C C   . HIS A 1 48  ? -16.982 4.190   -22.224 1.00 37.45  ? 48  HIS A C   1 
ATOM   368 O O   . HIS A 1 48  ? -15.699 4.597   -22.190 1.00 32.74  ? 48  HIS A O   1 
ATOM   369 C CB  . HIS A 1 48  ? -17.548 4.466   -19.752 1.00 41.31  ? 48  HIS A CB  1 
ATOM   370 C CG  . HIS A 1 48  ? -18.013 5.877   -19.911 1.00 53.82  ? 48  HIS A CG  1 
ATOM   371 N ND1 . HIS A 1 48  ? -19.140 6.365   -19.278 1.00 63.54  ? 48  HIS A ND1 1 
ATOM   372 C CD2 . HIS A 1 48  ? -17.515 6.903   -20.644 1.00 56.87  ? 48  HIS A CD2 1 
ATOM   373 C CE1 . HIS A 1 48  ? -19.324 7.626   -19.630 1.00 68.28  ? 48  HIS A CE1 1 
ATOM   374 N NE2 . HIS A 1 48  ? -18.357 7.972   -20.463 1.00 59.47  ? 48  HIS A NE2 1 
ATOM   375 N N   . GLU A 1 49  ? -17.696 4.422   -23.307 1.00 49.67  ? 49  GLU A N   1 
ATOM   376 C CA  . GLU A 1 49  ? -17.124 5.280   -24.413 1.00 61.98  ? 49  GLU A CA  1 
ATOM   377 C C   . GLU A 1 49  ? -17.219 6.786   -24.074 1.00 60.63  ? 49  GLU A C   1 
ATOM   378 O O   . GLU A 1 49  ? -18.329 7.284   -23.793 1.00 52.55  ? 49  GLU A O   1 
ATOM   379 C CB  . GLU A 1 49  ? -17.797 5.007   -25.776 1.00 70.71  ? 49  GLU A CB  1 
ATOM   380 C CG  . GLU A 1 49  ? -16.980 5.455   -26.997 1.00 76.83  ? 49  GLU A CG  1 
ATOM   381 C CD  . GLU A 1 49  ? -17.798 5.447   -28.286 1.00 85.97  ? 49  GLU A CD  1 
ATOM   382 O OE1 . GLU A 1 49  ? -19.019 5.716   -28.223 1.00 84.70  ? 49  GLU A OE1 1 
ATOM   383 O OE2 . GLU A 1 49  ? -17.219 5.189   -29.369 1.00 90.98  ? 49  GLU A OE2 1 
ATOM   384 N N   . GLU A 1 50  ? -16.081 7.502   -24.118 1.00 63.83  ? 50  GLU A N   1 
ATOM   385 C CA  . GLU A 1 50  ? -16.019 8.950   -23.767 1.00 76.80  ? 50  GLU A CA  1 
ATOM   386 C C   . GLU A 1 50  ? -17.089 9.757   -24.553 1.00 84.15  ? 50  GLU A C   1 
ATOM   387 O O   . GLU A 1 50  ? -17.233 9.594   -25.787 1.00 70.32  ? 50  GLU A O   1 
ATOM   388 C CB  . GLU A 1 50  ? -14.600 9.507   -24.016 1.00 92.39  ? 50  GLU A CB  1 
ATOM   389 C CG  . GLU A 1 50  ? -14.413 11.036  -23.969 1.00 97.42  ? 50  GLU A CG  1 
ATOM   390 C CD  . GLU A 1 50  ? -13.714 11.614  -25.217 1.00 101.59 ? 50  GLU A CD  1 
ATOM   391 O OE1 . GLU A 1 50  ? -13.917 12.818  -25.518 1.00 91.24  ? 50  GLU A OE1 1 
ATOM   392 O OE2 . GLU A 1 50  ? -12.964 10.873  -25.908 1.00 91.59  ? 50  GLU A OE2 1 
ATOM   393 N N   . GLY A 1 51  ? -17.827 10.609  -23.826 1.00 79.47  ? 51  GLY A N   1 
ATOM   394 C CA  . GLY A 1 51  ? -19.066 11.184  -24.326 1.00 79.11  ? 51  GLY A CA  1 
ATOM   395 C C   . GLY A 1 51  ? -20.184 10.172  -24.127 1.00 87.52  ? 51  GLY A C   1 
ATOM   396 O O   . GLY A 1 51  ? -20.865 10.236  -23.105 1.00 93.20  ? 51  GLY A O   1 
ATOM   397 N N   . ALA A 1 52  ? -20.318 9.212   -25.060 1.00 80.95  ? 52  ALA A N   1 
ATOM   398 C CA  . ALA A 1 52  ? -21.477 8.286   -25.154 1.00 81.63  ? 52  ALA A CA  1 
ATOM   399 C C   . ALA A 1 52  ? -22.244 8.079   -23.846 1.00 82.42  ? 52  ALA A C   1 
ATOM   400 O O   . ALA A 1 52  ? -21.680 7.623   -22.835 1.00 89.50  ? 52  ALA A O   1 
ATOM   401 C CB  . ALA A 1 52  ? -21.079 6.927   -25.736 1.00 79.12  ? 52  ALA A CB  1 
ATOM   402 N N   . GLY A 1 53  ? -23.532 8.419   -23.892 1.00 83.33  ? 53  GLY A N   1 
ATOM   403 C CA  . GLY A 1 53  ? -24.454 8.239   -22.772 1.00 85.52  ? 53  GLY A CA  1 
ATOM   404 C C   . GLY A 1 53  ? -24.820 6.786   -22.509 1.00 88.73  ? 53  GLY A C   1 
ATOM   405 O O   . GLY A 1 53  ? -25.400 6.490   -21.464 1.00 86.99  ? 53  GLY A O   1 
ATOM   406 N N   . HIS A 1 54  ? -24.499 5.882   -23.446 1.00 92.62  ? 54  HIS A N   1 
ATOM   407 C CA  . HIS A 1 54  ? -24.562 4.430   -23.189 1.00 93.89  ? 54  HIS A CA  1 
ATOM   408 C C   . HIS A 1 54  ? -23.214 3.761   -22.765 1.00 83.63  ? 54  HIS A C   1 
ATOM   409 O O   . HIS A 1 54  ? -22.100 4.278   -23.019 1.00 67.59  ? 54  HIS A O   1 
ATOM   410 C CB  . HIS A 1 54  ? -25.236 3.696   -24.364 1.00 101.92 ? 54  HIS A CB  1 
ATOM   411 C CG  . HIS A 1 54  ? -26.728 3.810   -24.338 1.00 117.70 ? 54  HIS A CG  1 
ATOM   412 N ND1 . HIS A 1 54  ? -27.532 2.892   -23.691 1.00 125.75 ? 54  HIS A ND1 1 
ATOM   413 C CD2 . HIS A 1 54  ? -27.558 4.769   -24.815 1.00 114.24 ? 54  HIS A CD2 1 
ATOM   414 C CE1 . HIS A 1 54  ? -28.795 3.268   -23.796 1.00 122.65 ? 54  HIS A CE1 1 
ATOM   415 N NE2 . HIS A 1 54  ? -28.838 4.402   -24.475 1.00 118.22 ? 54  HIS A NE2 1 
ATOM   416 N N   . VAL A 1 55  ? -23.394 2.600   -22.129 1.00 73.60  ? 55  VAL A N   1 
ATOM   417 C CA  . VAL A 1 55  ? -22.376 1.823   -21.401 1.00 66.21  ? 55  VAL A CA  1 
ATOM   418 C C   . VAL A 1 55  ? -22.418 0.346   -21.869 1.00 53.91  ? 55  VAL A C   1 
ATOM   419 O O   . VAL A 1 55  ? -23.496 -0.177  -22.218 1.00 62.11  ? 55  VAL A O   1 
ATOM   420 C CB  . VAL A 1 55  ? -22.646 2.011   -19.871 1.00 68.47  ? 55  VAL A CB  1 
ATOM   421 C CG1 . VAL A 1 55  ? -22.508 0.726   -19.039 1.00 57.58  ? 55  VAL A CG1 1 
ATOM   422 C CG2 . VAL A 1 55  ? -21.828 3.198   -19.334 1.00 69.53  ? 55  VAL A CG2 1 
ATOM   423 N N   . GLY A 1 56  ? -21.241 -0.304  -21.900 1.00 39.94  ? 56  GLY A N   1 
ATOM   424 C CA  . GLY A 1 56  ? -21.062 -1.750  -22.172 1.00 33.30  ? 56  GLY A CA  1 
ATOM   425 C C   . GLY A 1 56  ? -21.001 -2.429  -20.787 1.00 37.12  ? 56  GLY A C   1 
ATOM   426 O O   . GLY A 1 56  ? -20.093 -2.164  -19.995 1.00 33.04  ? 56  GLY A O   1 
ATOM   427 N N   . ASP A 1 57  ? -22.000 -3.218  -20.450 1.00 28.31  ? 57  ASP A N   1 
ATOM   428 C CA  . ASP A 1 57  ? -22.055 -3.895  -19.170 1.00 30.43  ? 57  ASP A CA  1 
ATOM   429 C C   . ASP A 1 57  ? -21.253 -5.185  -19.193 1.00 30.12  ? 57  ASP A C   1 
ATOM   430 O O   . ASP A 1 57  ? -21.544 -6.136  -19.947 1.00 27.87  ? 57  ASP A O   1 
ATOM   431 C CB  . ASP A 1 57  ? -23.509 -4.132  -18.867 1.00 37.16  ? 57  ASP A CB  1 
ATOM   432 C CG  . ASP A 1 57  ? -23.750 -4.621  -17.462 1.00 37.78  ? 57  ASP A CG  1 
ATOM   433 O OD1 . ASP A 1 57  ? -22.808 -4.674  -16.659 1.00 34.16  ? 57  ASP A OD1 1 
ATOM   434 O OD2 . ASP A 1 57  ? -24.902 -5.000  -17.152 1.00 39.60  ? 57  ASP A OD2 1 
ATOM   435 N N   . LEU A 1 58  ? -20.246 -5.317  -18.337 1.00 23.61  ? 58  LEU A N   1 
ATOM   436 C CA  . LEU A 1 58  ? -19.553 -6.570  -18.233 1.00 24.30  ? 58  LEU A CA  1 
ATOM   437 C C   . LEU A 1 58  ? -19.915 -7.341  -16.985 1.00 22.11  ? 58  LEU A C   1 
ATOM   438 O O   . LEU A 1 58  ? -19.330 -8.369  -16.721 1.00 28.47  ? 58  LEU A O   1 
ATOM   439 C CB  . LEU A 1 58  ? -18.025 -6.366  -18.277 1.00 27.14  ? 58  LEU A CB  1 
ATOM   440 C CG  . LEU A 1 58  ? -17.413 -5.541  -19.384 1.00 30.64  ? 58  LEU A CG  1 
ATOM   441 C CD1 . LEU A 1 58  ? -15.874 -5.618  -19.367 1.00 30.63  ? 58  LEU A CD1 1 
ATOM   442 C CD2 . LEU A 1 58  ? -17.884 -6.120  -20.724 1.00 34.33  ? 58  LEU A CD2 1 
ATOM   443 N N   . GLY A 1 59  ? -20.971 -6.973  -16.298 1.00 20.72  ? 59  GLY A N   1 
ATOM   444 C CA  . GLY A 1 59  ? -21.456 -7.756  -15.238 1.00 21.57  ? 59  GLY A CA  1 
ATOM   445 C C   . GLY A 1 59  ? -20.830 -7.268  -13.891 1.00 20.91  ? 59  GLY A C   1 
ATOM   446 O O   . GLY A 1 59  ? -20.694 -6.060  -13.677 1.00 23.00  ? 59  GLY A O   1 
ATOM   447 N N   . ASN A 1 60  ? -20.648 -8.221  -12.978 1.00 21.76  ? 60  ASN A N   1 
ATOM   448 C CA  . ASN A 1 60  ? -20.025 -7.879  -11.661 1.00 22.65  ? 60  ASN A CA  1 
ATOM   449 C C   . ASN A 1 60  ? -18.699 -8.635  -11.568 1.00 21.63  ? 60  ASN A C   1 
ATOM   450 O O   . ASN A 1 60  ? -18.533 -9.763  -12.056 1.00 26.37  ? 60  ASN A O   1 
ATOM   451 C CB  . ASN A 1 60  ? -20.880 -8.372  -10.535 1.00 23.47  ? 60  ASN A CB  1 
ATOM   452 C CG  . ASN A 1 60  ? -22.079 -7.549  -10.366 1.00 24.79  ? 60  ASN A CG  1 
ATOM   453 O OD1 . ASN A 1 60  ? -21.979 -6.344  -10.310 1.00 27.48  ? 60  ASN A OD1 1 
ATOM   454 N ND2 . ASN A 1 60  ? -23.275 -8.191  -10.329 1.00 28.33  ? 60  ASN A ND2 1 
ATOM   455 N N   . VAL A 1 61  ? -17.735 -8.003  -10.916 1.00 23.09  ? 61  VAL A N   1 
ATOM   456 C CA  . VAL A 1 61  ? -16.617 -8.733  -10.341 1.00 20.33  ? 61  VAL A CA  1 
ATOM   457 C C   . VAL A 1 61  ? -16.928 -9.054  -8.896  1.00 19.35  ? 61  VAL A C   1 
ATOM   458 O O   . VAL A 1 61  ? -17.739 -8.392  -8.229  1.00 20.30  ? 61  VAL A O   1 
ATOM   459 C CB  . VAL A 1 61  ? -15.273 -7.962  -10.580 1.00 21.97  ? 61  VAL A CB  1 
ATOM   460 C CG1 . VAL A 1 61  ? -15.103 -7.541  -12.005 1.00 24.67  ? 61  VAL A CG1 1 
ATOM   461 C CG2 . VAL A 1 61  ? -15.150 -6.699  -9.714  1.00 21.67  ? 61  VAL A CG2 1 
ATOM   462 N N   . THR A 1 62  ? -16.337 -10.127 -8.395  1.00 19.90  ? 62  THR A N   1 
ATOM   463 C CA  . THR A 1 62  ? -16.622 -10.581 -7.030  1.00 18.37  ? 62  THR A CA  1 
ATOM   464 C C   . THR A 1 62  ? -15.310 -10.512 -6.202  1.00 15.59  ? 62  THR A C   1 
ATOM   465 O O   . THR A 1 62  ? -14.348 -11.242 -6.535  1.00 16.68  ? 62  THR A O   1 
ATOM   466 C CB  . THR A 1 62  ? -17.113 -12.041 -6.968  1.00 24.17  ? 62  THR A CB  1 
ATOM   467 O OG1 . THR A 1 62  ? -18.277 -12.136 -7.789  1.00 23.81  ? 62  THR A OG1 1 
ATOM   468 C CG2 . THR A 1 62  ? -17.530 -12.379 -5.562  1.00 24.92  ? 62  THR A CG2 1 
ATOM   469 N N   . ALA A 1 63  ? -15.324 -9.658  -5.214  1.00 17.14  ? 63  ALA A N   1 
ATOM   470 C CA  . ALA A 1 63  ? -14.170 -9.562  -4.273  1.00 15.65  ? 63  ALA A CA  1 
ATOM   471 C C   . ALA A 1 63  ? -14.261 -10.510 -3.181  1.00 16.20  ? 63  ALA A C   1 
ATOM   472 O O   . ALA A 1 63  ? -15.339 -10.687 -2.583  1.00 17.86  ? 63  ALA A O   1 
ATOM   473 C CB  . ALA A 1 63  ? -14.066 -8.186  -3.699  1.00 18.78  ? 63  ALA A CB  1 
ATOM   474 N N   . ASP A 1 64  ? -13.163 -11.162 -2.896  1.00 16.24  ? 64  ASP A N   1 
ATOM   475 C CA  . ASP A 1 64  ? -13.028 -12.002 -1.731  1.00 17.33  ? 64  ASP A CA  1 
ATOM   476 C C   . ASP A 1 64  ? -12.911 -11.296 -0.378  1.00 18.91  ? 64  ASP A C   1 
ATOM   477 O O   . ASP A 1 64  ? -12.989 -10.075 -0.332  1.00 17.26  ? 64  ASP A O   1 
ATOM   478 C CB  . ASP A 1 64  ? -11.925 -13.029 -2.008  1.00 19.69  ? 64  ASP A CB  1 
ATOM   479 C CG  . ASP A 1 64  ? -10.493 -12.448 -1.938  1.00 17.69  ? 64  ASP A CG  1 
ATOM   480 O OD1 . ASP A 1 64  ? -10.338 -11.328 -1.388  1.00 15.39  ? 64  ASP A OD1 1 
ATOM   481 O OD2 . ASP A 1 64  ? -9.584  -13.124 -2.555  1.00 16.62  ? 64  ASP A OD2 1 
ATOM   482 N N   . LYS A 1 65  ? -12.720 -12.025 0.713   1.00 16.59  ? 65  LYS A N   1 
ATOM   483 C CA  . LYS A 1 65  ? -12.678 -11.407 2.032   1.00 18.32  ? 65  LYS A CA  1 
ATOM   484 C C   . LYS A 1 65  ? -11.463 -10.476 2.247   1.00 17.43  ? 65  LYS A C   1 
ATOM   485 O O   . LYS A 1 65  ? -11.437 -9.661  3.115   1.00 17.88  ? 65  LYS A O   1 
ATOM   486 C CB  . LYS A 1 65  ? -12.621 -12.501 3.143   1.00 22.50  ? 65  LYS A CB  1 
ATOM   487 C CG  . LYS A 1 65  ? -11.307 -13.222 3.297   1.00 24.91  ? 65  LYS A CG  1 
ATOM   488 C CD  . LYS A 1 65  ? -11.171 -14.103 4.583   1.00 27.54  ? 65  LYS A CD  1 
ATOM   489 C CE  . LYS A 1 65  ? -9.821  -14.763 4.550   1.00 29.98  ? 65  LYS A CE  1 
ATOM   490 N NZ  . LYS A 1 65  ? -8.763  -13.818 4.995   1.00 25.20  ? 65  LYS A NZ  1 
ATOM   491 N N   . ASP A 1 66  ? -10.468 -10.600 1.389   1.00 16.18  ? 66  ASP A N   1 
ATOM   492 C CA  . ASP A 1 66  ? -9.279  -9.779  1.452   1.00 16.15  ? 66  ASP A CA  1 
ATOM   493 C C   . ASP A 1 66  ? -9.395  -8.588  0.481   1.00 16.44  ? 66  ASP A C   1 
ATOM   494 O O   . ASP A 1 66  ? -8.393  -7.847  0.274   1.00 15.57  ? 66  ASP A O   1 
ATOM   495 C CB  . ASP A 1 66  ? -8.034  -10.571 1.135   1.00 14.43  ? 66  ASP A CB  1 
ATOM   496 C CG  . ASP A 1 66  ? -7.814  -11.786 2.030   1.00 16.03  ? 66  ASP A CG  1 
ATOM   497 O OD1 . ASP A 1 66  ? -8.243  -11.744 3.204   1.00 17.42  ? 66  ASP A OD1 1 
ATOM   498 O OD2 . ASP A 1 66  ? -7.114  -12.720 1.559   1.00 17.06  ? 66  ASP A OD2 1 
ATOM   499 N N   . GLY A 1 67  ? -10.553 -8.428  -0.191  1.00 14.86  ? 67  GLY A N   1 
ATOM   500 C CA  . GLY A 1 67  ? -10.792 -7.364  -1.135  1.00 14.81  ? 67  GLY A CA  1 
ATOM   501 C C   . GLY A 1 67  ? -10.285 -7.524  -2.558  1.00 15.69  ? 67  GLY A C   1 
ATOM   502 O O   . GLY A 1 67  ? -10.189 -6.536  -3.315  1.00 14.97  ? 67  GLY A O   1 
ATOM   503 N N   . VAL A 1 68  ? -9.912  -8.741  -2.900  1.00 15.15  ? 68  VAL A N   1 
ATOM   504 C CA  . VAL A 1 68  ? -9.317  -9.104  -4.164  1.00 13.84  ? 68  VAL A CA  1 
ATOM   505 C C   . VAL A 1 68  ? -10.348 -9.802  -5.038  1.00 15.36  ? 68  VAL A C   1 
ATOM   506 O O   . VAL A 1 68  ? -10.904 -10.839 -4.647  1.00 15.01  ? 68  VAL A O   1 
ATOM   507 C CB  . VAL A 1 68  ? -8.138  -10.018 -3.997  1.00 15.16  ? 68  VAL A CB  1 
ATOM   508 C CG1 . VAL A 1 68  ? -7.575  -10.384 -5.353  1.00 15.97  ? 68  VAL A CG1 1 
ATOM   509 C CG2 . VAL A 1 68  ? -7.109  -9.329  -3.077  1.00 15.79  ? 68  VAL A CG2 1 
ATOM   510 N N   . ALA A 1 69  ? -10.587 -9.209  -6.203  1.00 13.15  ? 69  ALA A N   1 
ATOM   511 C CA  . ALA A 1 69  ? -11.459 -9.826  -7.233  1.00 15.52  ? 69  ALA A CA  1 
ATOM   512 C C   . ALA A 1 69  ? -10.613 -10.341 -8.357  1.00 17.64  ? 69  ALA A C   1 
ATOM   513 O O   . ALA A 1 69  ? -10.033 -9.548  -9.167  1.00 18.42  ? 69  ALA A O   1 
ATOM   514 C CB  . ALA A 1 69  ? -12.442 -8.851  -7.737  1.00 15.86  ? 69  ALA A CB  1 
ATOM   515 N N   . ASP A 1 70  ? -10.561 -11.649 -8.512  1.00 17.68  ? 70  ASP A N   1 
ATOM   516 C CA  . ASP A 1 70  ? -9.946  -12.243 -9.682  1.00 15.39  ? 70  ASP A CA  1 
ATOM   517 C C   . ASP A 1 70  ? -11.002 -12.319 -10.791 1.00 19.85  ? 70  ASP A C   1 
ATOM   518 O O   . ASP A 1 70  ? -12.113 -12.747 -10.516 1.00 20.76  ? 70  ASP A O   1 
ATOM   519 C CB  . ASP A 1 70  ? -9.428  -13.643 -9.403  1.00 17.30  ? 70  ASP A CB  1 
ATOM   520 C CG  . ASP A 1 70  ? -8.203  -13.665 -8.518  1.00 20.52  ? 70  ASP A CG  1 
ATOM   521 O OD1 . ASP A 1 70  ? -7.378  -12.753 -8.581  1.00 20.64  ? 70  ASP A OD1 1 
ATOM   522 O OD2 . ASP A 1 70  ? -8.048  -14.671 -7.735  1.00 22.16  ? 70  ASP A OD2 1 
ATOM   523 N N   . VAL A 1 71  ? -10.640 -11.950 -11.990 1.00 18.48  ? 71  VAL A N   1 
ATOM   524 C CA  . VAL A 1 71  ? -11.580 -11.868 -13.076 1.00 19.08  ? 71  VAL A CA  1 
ATOM   525 C C   . VAL A 1 71  ? -11.193 -12.851 -14.174 1.00 18.23  ? 71  VAL A C   1 
ATOM   526 O O   . VAL A 1 71  ? -10.043 -12.914 -14.618 1.00 17.69  ? 71  VAL A O   1 
ATOM   527 C CB  . VAL A 1 71  ? -11.616 -10.417 -13.665 1.00 23.01  ? 71  VAL A CB  1 
ATOM   528 C CG1 . VAL A 1 71  ? -12.577 -10.378 -14.893 1.00 23.74  ? 71  VAL A CG1 1 
ATOM   529 C CG2 . VAL A 1 71  ? -12.047 -9.462  -12.584 1.00 26.12  ? 71  VAL A CG2 1 
ATOM   530 N N   . SER A 1 72  ? -12.162 -13.598 -14.724 1.00 22.54  ? 72  SER A N   1 
ATOM   531 C CA  . SER A 1 72  ? -11.846 -14.464 -15.851 1.00 21.96  ? 72  SER A CA  1 
ATOM   532 C C   . SER A 1 72  ? -13.161 -14.770 -16.563 1.00 28.94  ? 72  SER A C   1 
ATOM   533 O O   . SER A 1 72  ? -13.941 -15.586 -16.037 1.00 29.48  ? 72  SER A O   1 
ATOM   534 C CB  . SER A 1 72  ? -11.266 -15.781 -15.390 1.00 30.83  ? 72  SER A CB  1 
ATOM   535 O OG  . SER A 1 72  ? -10.818 -16.494 -16.564 1.00 31.85  ? 72  SER A OG  1 
ATOM   536 N N   . ILE A 1 73  ? -13.451 -14.021 -17.606 1.00 23.90  ? 73  ILE A N   1 
ATOM   537 C CA  . ILE A 1 73  ? -14.680 -14.229 -18.343 1.00 27.20  ? 73  ILE A CA  1 
ATOM   538 C C   . ILE A 1 73  ? -14.453 -14.282 -19.820 1.00 27.37  ? 73  ILE A C   1 
ATOM   539 O O   . ILE A 1 73  ? -13.362 -13.938 -20.332 1.00 24.14  ? 73  ILE A O   1 
ATOM   540 C CB  . ILE A 1 73  ? -15.706 -13.198 -18.010 1.00 31.82  ? 73  ILE A CB  1 
ATOM   541 C CG1 . ILE A 1 73  ? -15.282 -11.861 -18.484 1.00 31.81  ? 73  ILE A CG1 1 
ATOM   542 C CG2 . ILE A 1 73  ? -16.043 -13.216 -16.506 1.00 40.54  ? 73  ILE A CG2 1 
ATOM   543 C CD1 . ILE A 1 73  ? -16.434 -10.888 -18.417 1.00 40.06  ? 73  ILE A CD1 1 
ATOM   544 N N   . GLU A 1 74  ? -15.484 -14.791 -20.543 1.00 28.85  ? 74  GLU A N   1 
ATOM   545 C CA  . GLU A 1 74  ? -15.492 -14.679 -22.002 1.00 29.98  ? 74  GLU A CA  1 
ATOM   546 C C   . GLU A 1 74  ? -16.663 -13.860 -22.299 1.00 26.90  ? 74  GLU A C   1 
ATOM   547 O O   . GLU A 1 74  ? -17.762 -14.078 -21.732 1.00 32.59  ? 74  GLU A O   1 
ATOM   548 C CB  . GLU A 1 74  ? -15.649 -16.041 -22.678 1.00 38.03  ? 74  GLU A CB  1 
ATOM   549 C CG  . GLU A 1 74  ? -14.500 -16.985 -22.498 1.00 51.07  ? 74  GLU A CG  1 
ATOM   550 C CD  . GLU A 1 74  ? -13.727 -17.042 -23.770 1.00 65.30  ? 74  GLU A CD  1 
ATOM   551 O OE1 . GLU A 1 74  ? -14.092 -17.894 -24.624 1.00 79.41  ? 74  GLU A OE1 1 
ATOM   552 O OE2 . GLU A 1 74  ? -12.859 -16.175 -23.943 1.00 47.83  ? 74  GLU A OE2 1 
ATOM   553 N N   . ASP A 1 75  ? -16.502 -12.910 -23.191 1.00 24.35  ? 75  ASP A N   1 
ATOM   554 C CA  . ASP A 1 75  ? -17.524 -11.964 -23.538 1.00 28.20  ? 75  ASP A CA  1 
ATOM   555 C C   . ASP A 1 75  ? -17.614 -11.898 -25.081 1.00 31.79  ? 75  ASP A C   1 
ATOM   556 O O   . ASP A 1 75  ? -16.652 -11.507 -25.754 1.00 26.09  ? 75  ASP A O   1 
ATOM   557 C CB  . ASP A 1 75  ? -17.246 -10.602 -23.007 1.00 28.68  ? 75  ASP A CB  1 
ATOM   558 C CG  . ASP A 1 75  ? -18.443 -9.627  -23.141 1.00 32.61  ? 75  ASP A CG  1 
ATOM   559 O OD1 . ASP A 1 75  ? -18.930 -9.269  -24.250 1.00 35.42  ? 75  ASP A OD1 1 
ATOM   560 O OD2 . ASP A 1 75  ? -18.880 -9.084  -22.078 1.00 44.14  ? 75  ASP A OD2 1 
ATOM   561 N N   A SER A 1 76  ? -18.798 -12.277 -25.601 0.50 29.71  ? 76  SER A N   1 
ATOM   562 N N   B SER A 1 76  ? -18.758 -12.345 -25.611 0.50 29.84  ? 76  SER A N   1 
ATOM   563 C CA  A SER A 1 76  ? -19.074 -12.331 -27.042 0.50 31.23  ? 76  SER A CA  1 
ATOM   564 C CA  B SER A 1 76  ? -18.982 -12.411 -27.045 0.50 31.44  ? 76  SER A CA  1 
ATOM   565 C C   A SER A 1 76  ? -19.601 -11.059 -27.585 0.50 29.61  ? 76  SER A C   1 
ATOM   566 C C   B SER A 1 76  ? -19.581 -11.104 -27.571 0.50 29.43  ? 76  SER A C   1 
ATOM   567 O O   A SER A 1 76  ? -19.791 -10.906 -28.790 0.50 33.66  ? 76  SER A O   1 
ATOM   568 O O   B SER A 1 76  ? -19.769 -10.973 -28.775 0.50 34.52  ? 76  SER A O   1 
ATOM   569 C CB  A SER A 1 76  ? -20.121 -13.427 -27.325 0.50 28.77  ? 76  SER A CB  1 
ATOM   570 C CB  B SER A 1 76  ? -19.937 -13.598 -27.346 0.50 28.41  ? 76  SER A CB  1 
ATOM   571 O OG  A SER A 1 76  ? -19.454 -14.619 -27.298 0.50 26.70  ? 76  SER A OG  1 
ATOM   572 O OG  B SER A 1 76  ? -21.206 -13.215 -26.891 0.50 26.06  ? 76  SER A OG  1 
ATOM   573 N N   . VAL A 1 77  ? -19.892 -10.126 -26.706 1.00 25.43  ? 77  VAL A N   1 
ATOM   574 C CA  . VAL A 1 77  ? -20.478 -8.916  -27.091 1.00 23.17  ? 77  VAL A CA  1 
ATOM   575 C C   . VAL A 1 77  ? -19.504 -7.798  -27.475 1.00 27.11  ? 77  VAL A C   1 
ATOM   576 O O   . VAL A 1 77  ? -19.645 -7.027  -28.448 1.00 29.19  ? 77  VAL A O   1 
ATOM   577 C CB  . VAL A 1 77  ? -21.474 -8.519  -26.019 1.00 30.07  ? 77  VAL A CB  1 
ATOM   578 C CG1 . VAL A 1 77  ? -22.265 -7.317  -26.494 1.00 29.64  ? 77  VAL A CG1 1 
ATOM   579 C CG2 . VAL A 1 77  ? -22.403 -9.714  -25.645 1.00 34.51  ? 77  VAL A CG2 1 
ATOM   580 N N   . ILE A 1 78  ? -18.461 -7.633  -26.647 1.00 24.85  ? 78  ILE A N   1 
ATOM   581 C CA  . ILE A 1 78  ? -17.456 -6.594  -26.991 1.00 23.42  ? 78  ILE A CA  1 
ATOM   582 C C   . ILE A 1 78  ? -16.527 -7.170  -28.079 1.00 23.37  ? 78  ILE A C   1 
ATOM   583 O O   . ILE A 1 78  ? -16.479 -8.372  -28.285 1.00 26.64  ? 78  ILE A O   1 
ATOM   584 C CB  . ILE A 1 78  ? -16.630 -6.308  -25.678 1.00 22.56  ? 78  ILE A CB  1 
ATOM   585 C CG1 . ILE A 1 78  ? -15.971 -7.576  -25.123 1.00 23.04  ? 78  ILE A CG1 1 
ATOM   586 C CG2 . ILE A 1 78  ? -17.578 -5.708  -24.641 1.00 26.40  ? 78  ILE A CG2 1 
ATOM   587 C CD1 . ILE A 1 78  ? -15.055 -7.284  -23.903 1.00 23.93  ? 78  ILE A CD1 1 
ATOM   588 N N   . SER A 1 79  ? -15.700 -6.285  -28.627 1.00 23.71  ? 79  SER A N   1 
ATOM   589 C CA  . SER A 1 79  ? -14.688 -6.612  -29.599 1.00 24.97  ? 79  SER A CA  1 
ATOM   590 C C   . SER A 1 79  ? -13.494 -5.679  -29.451 1.00 23.65  ? 79  SER A C   1 
ATOM   591 O O   . SER A 1 79  ? -13.622 -4.593  -28.958 1.00 25.05  ? 79  SER A O   1 
ATOM   592 C CB  . SER A 1 79  ? -15.253 -6.407  -31.052 1.00 25.63  ? 79  SER A CB  1 
ATOM   593 O OG  . SER A 1 79  ? -14.335 -6.930  -31.954 1.00 26.39  ? 79  SER A OG  1 
ATOM   594 N N   . LEU A 1 80  ? -12.342 -6.151  -29.896 1.00 24.29  ? 80  LEU A N   1 
ATOM   595 C CA  . LEU A 1 80  ? -11.093 -5.313  -29.918 1.00 23.35  ? 80  LEU A CA  1 
ATOM   596 C C   . LEU A 1 80  ? -10.769 -4.851  -31.329 1.00 26.29  ? 80  LEU A C   1 
ATOM   597 O O   . LEU A 1 80  ? -9.685  -4.331  -31.613 1.00 25.85  ? 80  LEU A O   1 
ATOM   598 C CB  . LEU A 1 80  ? -9.955  -6.106  -29.355 1.00 21.74  ? 80  LEU A CB  1 
ATOM   599 C CG  . LEU A 1 80  ? -10.091 -6.754  -27.997 1.00 23.15  ? 80  LEU A CG  1 
ATOM   600 C CD1 . LEU A 1 80  ? -8.792  -7.459  -27.588 1.00 23.26  ? 80  LEU A CD1 1 
ATOM   601 C CD2 . LEU A 1 80  ? -10.531 -5.681  -26.983 1.00 25.21  ? 80  LEU A CD2 1 
ATOM   602 N N   . SER A 1 81  ? -11.672 -5.137  -32.274 1.00 26.61  ? 81  SER A N   1 
ATOM   603 C CA  . SER A 1 81  ? -11.461 -4.643  -33.643 1.00 31.12  ? 81  SER A CA  1 
ATOM   604 C C   . SER A 1 81  ? -12.756 -4.193  -34.233 1.00 35.84  ? 81  SER A C   1 
ATOM   605 O O   . SER A 1 81  ? -13.860 -4.269  -33.617 1.00 29.95  ? 81  SER A O   1 
ATOM   606 C CB  . SER A 1 81  ? -10.860 -5.727  -34.553 1.00 36.05  ? 81  SER A CB  1 
ATOM   607 O OG  . SER A 1 81  ? -11.588 -6.945  -34.492 1.00 40.33  ? 81  SER A OG  1 
ATOM   608 N N   . GLY A 1 82  ? -12.580 -3.585  -35.406 1.00 38.19  ? 82  GLY A N   1 
ATOM   609 C CA  . GLY A 1 82  ? -13.712 -3.132  -36.161 1.00 45.30  ? 82  GLY A CA  1 
ATOM   610 C C   . GLY A 1 82  ? -14.293 -1.839  -35.659 1.00 47.83  ? 82  GLY A C   1 
ATOM   611 O O   . GLY A 1 82  ? -13.724 -1.108  -34.843 1.00 42.44  ? 82  GLY A O   1 
ATOM   612 N N   . ASP A 1 83  ? -15.448 -1.581  -36.235 1.00 47.40  ? 83  ASP A N   1 
ATOM   613 C CA  . ASP A 1 83  ? -16.259 -0.420  -36.027 1.00 52.43  ? 83  ASP A CA  1 
ATOM   614 C C   . ASP A 1 83  ? -16.669 -0.147  -34.522 1.00 54.23  ? 83  ASP A C   1 
ATOM   615 O O   . ASP A 1 83  ? -16.769 1.000   -34.120 1.00 50.53  ? 83  ASP A O   1 
ATOM   616 C CB  . ASP A 1 83  ? -17.493 -0.561  -36.975 1.00 61.94  ? 83  ASP A CB  1 
ATOM   617 C CG  . ASP A 1 83  ? -17.897 -2.063  -37.231 1.00 74.91  ? 83  ASP A CG  1 
ATOM   618 O OD1 . ASP A 1 83  ? -17.137 -2.868  -37.937 1.00 58.97  ? 83  ASP A OD1 1 
ATOM   619 O OD2 . ASP A 1 83  ? -18.973 -2.422  -36.668 1.00 80.36  ? 83  ASP A OD2 1 
ATOM   620 N N   . HIS A 1 84  ? -16.891 -1.190  -33.719 1.00 45.06  ? 84  HIS A N   1 
ATOM   621 C CA  . HIS A 1 84  ? -17.359 -1.034  -32.331 1.00 45.42  ? 84  HIS A CA  1 
ATOM   622 C C   . HIS A 1 84  ? -16.245 -1.476  -31.300 1.00 37.06  ? 84  HIS A C   1 
ATOM   623 O O   . HIS A 1 84  ? -16.540 -1.943  -30.251 1.00 38.86  ? 84  HIS A O   1 
ATOM   624 C CB  . HIS A 1 84  ? -18.600 -1.883  -32.142 1.00 47.89  ? 84  HIS A CB  1 
ATOM   625 C CG  . HIS A 1 84  ? -19.708 -1.542  -33.101 1.00 60.08  ? 84  HIS A CG  1 
ATOM   626 N ND1 . HIS A 1 84  ? -20.085 -0.242  -33.366 1.00 65.64  ? 84  HIS A ND1 1 
ATOM   627 C CD2 . HIS A 1 84  ? -20.502 -2.327  -33.869 1.00 64.51  ? 84  HIS A CD2 1 
ATOM   628 C CE1 . HIS A 1 84  ? -21.083 -0.244  -34.231 1.00 71.96  ? 84  HIS A CE1 1 
ATOM   629 N NE2 . HIS A 1 84  ? -21.363 -1.497  -34.542 1.00 73.04  ? 84  HIS A NE2 1 
ATOM   630 N N   . SER A 1 85  ? -14.994 -1.370  -31.692 1.00 33.17  ? 85  SER A N   1 
ATOM   631 C CA  . SER A 1 85  ? -13.886 -1.813  -30.831 1.00 31.89  ? 85  SER A CA  1 
ATOM   632 C C   . SER A 1 85  ? -13.918 -1.011  -29.518 1.00 28.42  ? 85  SER A C   1 
ATOM   633 O O   . SER A 1 85  ? -14.175 0.200   -29.485 1.00 26.73  ? 85  SER A O   1 
ATOM   634 C CB  . SER A 1 85  ? -12.600 -1.578  -31.539 1.00 31.54  ? 85  SER A CB  1 
ATOM   635 O OG  . SER A 1 85  ? -11.500 -1.698  -30.725 1.00 27.33  ? 85  SER A OG  1 
ATOM   636 N N   . ILE A 1 86  ? -13.634 -1.697  -28.436 1.00 23.46  ? 86  ILE A N   1 
ATOM   637 C CA  . ILE A 1 86  ? -13.538 -1.022  -27.161 1.00 24.95  ? 86  ILE A CA  1 
ATOM   638 C C   . ILE A 1 86  ? -12.172 -0.396  -26.900 1.00 23.30  ? 86  ILE A C   1 
ATOM   639 O O   . ILE A 1 86  ? -11.973 0.224   -25.785 1.00 21.78  ? 86  ILE A O   1 
ATOM   640 C CB  . ILE A 1 86  ? -13.920 -1.938  -26.034 1.00 23.15  ? 86  ILE A CB  1 
ATOM   641 C CG1 . ILE A 1 86  ? -12.934 -3.049  -25.863 1.00 24.55  ? 86  ILE A CG1 1 
ATOM   642 C CG2 . ILE A 1 86  ? -15.340 -2.441  -26.251 1.00 25.45  ? 86  ILE A CG2 1 
ATOM   643 C CD1 . ILE A 1 86  ? -13.216 -3.960  -24.665 1.00 26.35  ? 86  ILE A CD1 1 
ATOM   644 N N   . ILE A 1 87  ? -11.258 -0.548  -27.838 1.00 23.63  ? 87  ILE A N   1 
ATOM   645 C CA  . ILE A 1 87  ? -9.953  0.115   -27.703 1.00 22.41  ? 87  ILE A CA  1 
ATOM   646 C C   . ILE A 1 87  ? -10.058 1.599   -27.517 1.00 25.72  ? 87  ILE A C   1 
ATOM   647 O O   . ILE A 1 87  ? -10.797 2.288   -28.279 1.00 22.62  ? 87  ILE A O   1 
ATOM   648 C CB  . ILE A 1 87  ? -9.046  -0.188  -28.906 1.00 25.65  ? 87  ILE A CB  1 
ATOM   649 C CG1 . ILE A 1 87  ? -8.790  -1.638  -29.091 1.00 27.81  ? 87  ILE A CG1 1 
ATOM   650 C CG2 . ILE A 1 87  ? -7.706  0.556   -28.751 1.00 25.60  ? 87  ILE A CG2 1 
ATOM   651 C CD1 . ILE A 1 87  ? -8.097  -2.351  -27.998 1.00 26.70  ? 87  ILE A CD1 1 
ATOM   652 N N   . GLY A 1 88  ? -9.424  2.169   -26.451 1.00 21.86  ? 88  GLY A N   1 
ATOM   653 C CA  . GLY A 1 88  ? -9.628  3.594   -26.187 1.00 21.31  ? 88  GLY A CA  1 
ATOM   654 C C   . GLY A 1 88  ? -10.736 4.012   -25.285 1.00 19.29  ? 88  GLY A C   1 
ATOM   655 O O   . GLY A 1 88  ? -10.700 5.133   -24.782 1.00 23.96  ? 88  GLY A O   1 
ATOM   656 N N   . ARG A 1 89  ? -11.678 3.089   -24.983 1.00 20.05  ? 89  ARG A N   1 
ATOM   657 C CA  . ARG A 1 89  ? -12.759 3.308   -24.065 1.00 22.36  ? 89  ARG A CA  1 
ATOM   658 C C   . ARG A 1 89  ? -12.234 3.160   -22.589 1.00 21.89  ? 89  ARG A C   1 
ATOM   659 O O   . ARG A 1 89  ? -11.152 2.699   -22.417 1.00 18.55  ? 89  ARG A O   1 
ATOM   660 C CB  . ARG A 1 89  ? -13.885 2.297   -24.342 1.00 23.42  ? 89  ARG A CB  1 
ATOM   661 C CG  . ARG A 1 89  ? -14.474 2.577   -25.711 1.00 28.93  ? 89  ARG A CG  1 
ATOM   662 C CD  . ARG A 1 89  ? -15.830 1.895   -25.925 1.00 36.74  ? 89  ARG A CD  1 
ATOM   663 N NE  . ARG A 1 89  ? -16.290 1.962   -27.332 1.00 45.17  ? 89  ARG A NE  1 
ATOM   664 C CZ  . ARG A 1 89  ? -17.331 1.264   -27.839 1.00 49.47  ? 89  ARG A CZ  1 
ATOM   665 N NH1 . ARG A 1 89  ? -17.634 1.396   -29.128 1.00 55.60  ? 89  ARG A NH1 1 
ATOM   666 N NH2 . ARG A 1 89  ? -18.078 0.449   -27.069 1.00 43.49  ? 89  ARG A NH2 1 
ATOM   667 N N   . THR A 1 90  ? -13.032 3.523   -21.591 1.00 21.06  ? 90  THR A N   1 
ATOM   668 C CA  . THR A 1 90  ? -12.619 3.501   -20.187 1.00 21.52  ? 90  THR A CA  1 
ATOM   669 C C   . THR A 1 90  ? -13.321 2.413   -19.511 1.00 19.29  ? 90  THR A C   1 
ATOM   670 O O   . THR A 1 90  ? -14.540 2.256   -19.687 1.00 21.80  ? 90  THR A O   1 
ATOM   671 C CB  . THR A 1 90  ? -12.975 4.792   -19.569 1.00 24.58  ? 90  THR A CB  1 
ATOM   672 O OG1 . THR A 1 90  ? -12.208 5.759   -20.235 1.00 25.75  ? 90  THR A OG1 1 
ATOM   673 C CG2 . THR A 1 90  ? -12.634 4.783   -18.044 1.00 24.07  ? 90  THR A CG2 1 
ATOM   674 N N   . LEU A 1 91  ? -12.560 1.501   -18.947 1.00 17.32  ? 91  LEU A N   1 
ATOM   675 C CA  . LEU A 1 91  ? -13.087 0.494   -18.074 1.00 17.32  ? 91  LEU A CA  1 
ATOM   676 C C   . LEU A 1 91  ? -13.325 1.015   -16.677 1.00 19.16  ? 91  LEU A C   1 
ATOM   677 O O   . LEU A 1 91  ? -12.451 1.683   -16.107 1.00 17.63  ? 91  LEU A O   1 
ATOM   678 C CB  . LEU A 1 91  ? -12.151 -0.727  -18.127 1.00 18.25  ? 91  LEU A CB  1 
ATOM   679 C CG  . LEU A 1 91  ? -12.514 -1.941  -17.292 1.00 18.78  ? 91  LEU A CG  1 
ATOM   680 C CD1 . LEU A 1 91  ? -13.734 -2.573  -18.058 1.00 22.48  ? 91  LEU A CD1 1 
ATOM   681 C CD2 . LEU A 1 91  ? -11.389 -2.932  -17.301 1.00 19.28  ? 91  LEU A CD2 1 
ATOM   682 N N   . VAL A 1 92  ? -14.443 0.692   -16.036 1.00 16.80  ? 92  VAL A N   1 
ATOM   683 C CA  . VAL A 1 92  ? -14.829 1.217   -14.731 1.00 17.63  ? 92  VAL A CA  1 
ATOM   684 C C   . VAL A 1 92  ? -15.271 0.123   -13.768 1.00 17.61  ? 92  VAL A C   1 
ATOM   685 O O   . VAL A 1 92  ? -16.022 -0.822  -14.122 1.00 18.15  ? 92  VAL A O   1 
ATOM   686 C CB  . VAL A 1 92  ? -15.998 2.230   -14.877 1.00 18.17  ? 92  VAL A CB  1 
ATOM   687 C CG1 . VAL A 1 92  ? -16.339 2.828   -13.556 1.00 21.67  ? 92  VAL A CG1 1 
ATOM   688 C CG2 . VAL A 1 92  ? -15.631 3.281   -15.910 1.00 21.00  ? 92  VAL A CG2 1 
ATOM   689 N N   A VAL A 1 93  ? -14.780 0.193   -12.545 0.50 15.60  ? 93  VAL A N   1 
ATOM   690 N N   B VAL A 1 93  ? -14.783 0.209   -12.546 0.50 16.50  ? 93  VAL A N   1 
ATOM   691 C CA  A VAL A 1 93  ? -15.283 -0.626  -11.455 0.50 15.67  ? 93  VAL A CA  1 
ATOM   692 C CA  B VAL A 1 93  ? -15.256 -0.590  -11.431 0.50 17.19  ? 93  VAL A CA  1 
ATOM   693 C C   A VAL A 1 93  ? -16.052 0.226   -10.451 0.50 18.64  ? 93  VAL A C   1 
ATOM   694 C C   B VAL A 1 93  ? -16.054 0.237   -10.444 0.50 19.58  ? 93  VAL A C   1 
ATOM   695 O O   A VAL A 1 93  ? -15.649 1.323   -10.034 0.50 19.08  ? 93  VAL A O   1 
ATOM   696 O O   B VAL A 1 93  ? -15.633 1.299   -9.975  0.50 19.67  ? 93  VAL A O   1 
ATOM   697 C CB  A VAL A 1 93  ? -14.192 -1.511  -10.779 0.50 17.04  ? 93  VAL A CB  1 
ATOM   698 C CB  B VAL A 1 93  ? -14.098 -1.232  -10.662 0.50 20.27  ? 93  VAL A CB  1 
ATOM   699 C CG1 A VAL A 1 93  ? -13.144 -0.674  -10.066 0.50 16.53  ? 93  VAL A CG1 1 
ATOM   700 C CG1 B VAL A 1 93  ? -14.633 -2.066  -9.541  0.50 21.17  ? 93  VAL A CG1 1 
ATOM   701 C CG2 A VAL A 1 93  ? -14.836 -2.590  -9.915  0.50 17.10  ? 93  VAL A CG2 1 
ATOM   702 C CG2 B VAL A 1 93  ? -13.292 -2.048  -11.644 0.50 21.49  ? 93  VAL A CG2 1 
ATOM   703 N N   . HIS A 1 94  ? -17.222 -0.282  -10.087 1.00 17.00  ? 94  HIS A N   1 
ATOM   704 C CA  . HIS A 1 94  ? -18.169 0.457   -9.265  1.00 18.58  ? 94  HIS A CA  1 
ATOM   705 C C   . HIS A 1 94  ? -18.294 0.056   -7.814  1.00 17.47  ? 94  HIS A C   1 
ATOM   706 O O   . HIS A 1 94  ? -17.958 -1.053  -7.386  1.00 18.54  ? 94  HIS A O   1 
ATOM   707 C CB  . HIS A 1 94  ? -19.602 0.336   -9.903  1.00 20.93  ? 94  HIS A CB  1 
ATOM   708 C CG  . HIS A 1 94  ? -19.764 1.251   -11.061 1.00 21.69  ? 94  HIS A CG  1 
ATOM   709 N ND1 . HIS A 1 94  ? -20.253 2.511   -10.925 1.00 24.85  ? 94  HIS A ND1 1 
ATOM   710 C CD2 . HIS A 1 94  ? -19.413 1.113   -12.368 1.00 24.19  ? 94  HIS A CD2 1 
ATOM   711 C CE1 . HIS A 1 94  ? -20.209 3.131   -12.099 1.00 26.18  ? 94  HIS A CE1 1 
ATOM   712 N NE2 . HIS A 1 94  ? -19.734 2.295   -13.001 1.00 25.09  ? 94  HIS A NE2 1 
ATOM   713 N N   . GLU A 1 95  ? -18.911 0.959   -7.032  1.00 19.92  ? 95  GLU A N   1 
ATOM   714 C CA  . GLU A 1 95  ? -19.140 0.723   -5.587  1.00 20.11  ? 95  GLU A CA  1 
ATOM   715 C C   . GLU A 1 95  ? -20.068 -0.357  -5.184  1.00 21.51  ? 95  GLU A C   1 
ATOM   716 O O   . GLU A 1 95  ? -19.830 -1.072  -4.239  1.00 20.29  ? 95  GLU A O   1 
ATOM   717 C CB  . GLU A 1 95  ? -19.619 2.073   -5.019  1.00 23.07  ? 95  GLU A CB  1 
ATOM   718 C CG  . GLU A 1 95  ? -19.832 2.175   -3.521  1.00 27.79  ? 95  GLU A CG  1 
ATOM   719 C CD  . GLU A 1 95  ? -20.610 3.513   -3.179  1.00 37.46  ? 95  GLU A CD  1 
ATOM   720 O OE1 . GLU A 1 95  ? -20.672 3.820   -1.982  1.00 38.60  ? 95  GLU A OE1 1 
ATOM   721 O OE2 . GLU A 1 95  ? -21.222 4.203   -4.083  1.00 39.78  ? 95  GLU A OE2 1 
ATOM   722 N N   . LYS A 1 96  ? -21.151 -0.511  -5.935  1.00 21.81  ? 96  LYS A N   1 
ATOM   723 C CA  . LYS A 1 96  ? -22.123 -1.507  -5.625  1.00 25.22  ? 96  LYS A CA  1 
ATOM   724 C C   . LYS A 1 96  ? -22.274 -2.450  -6.835  1.00 21.72  ? 96  LYS A C   1 
ATOM   725 O O   . LYS A 1 96  ? -21.678 -2.242  -7.949  1.00 22.25  ? 96  LYS A O   1 
ATOM   726 C CB  . LYS A 1 96  ? -23.478 -0.779  -5.420  1.00 28.07  ? 96  LYS A CB  1 
ATOM   727 C CG  . LYS A 1 96  ? -23.510 0.301   -4.384  1.00 31.87  ? 96  LYS A CG  1 
ATOM   728 C CD  . LYS A 1 96  ? -24.917 0.955   -4.437  1.00 42.39  ? 96  LYS A CD  1 
ATOM   729 C CE  . LYS A 1 96  ? -25.073 2.207   -3.572  1.00 49.70  ? 96  LYS A CE  1 
ATOM   730 N NZ  . LYS A 1 96  ? -24.581 1.913   -2.199  1.00 52.71  ? 96  LYS A NZ  1 
ATOM   731 N N   . ALA A 1 97  ? -23.115 -3.455  -6.627  1.00 23.39  ? 97  ALA A N   1 
ATOM   732 C CA  . ALA A 1 97  ? -23.396 -4.449  -7.651  1.00 24.73  ? 97  ALA A CA  1 
ATOM   733 C C   . ALA A 1 97  ? -24.105 -3.796  -8.824  1.00 28.01  ? 97  ALA A C   1 
ATOM   734 O O   . ALA A 1 97  ? -24.774 -2.800  -8.651  1.00 26.58  ? 97  ALA A O   1 
ATOM   735 C CB  . ALA A 1 97  ? -24.259 -5.563  -7.076  1.00 30.06  ? 97  ALA A CB  1 
ATOM   736 N N   . ASP A 1 98  ? -23.877 -4.363  -9.988  1.00 24.33  ? 98  ASP A N   1 
ATOM   737 C CA  . ASP A 1 98  ? -24.392 -3.895  -11.275 1.00 36.12  ? 98  ASP A CA  1 
ATOM   738 C C   . ASP A 1 98  ? -25.927 -3.840  -11.151 1.00 44.66  ? 98  ASP A C   1 
ATOM   739 O O   . ASP A 1 98  ? -26.532 -4.689  -10.450 1.00 35.65  ? 98  ASP A O   1 
ATOM   740 C CB  . ASP A 1 98  ? -24.038 -4.979  -12.252 1.00 39.71  ? 98  ASP A CB  1 
ATOM   741 C CG  . ASP A 1 98  ? -24.050 -4.554  -13.643 1.00 45.99  ? 98  ASP A CG  1 
ATOM   742 O OD1 . ASP A 1 98  ? -23.806 -3.355  -13.865 1.00 50.32  ? 98  ASP A OD1 1 
ATOM   743 O OD2 . ASP A 1 98  ? -24.256 -5.492  -14.481 1.00 39.19  ? 98  ASP A OD2 1 
ATOM   744 N N   . ASP A 1 99  ? -26.536 -2.829  -11.749 1.00 55.84  ? 99  ASP A N   1 
ATOM   745 C CA  . ASP A 1 99  ? -28.005 -2.784  -11.829 1.00 84.06  ? 99  ASP A CA  1 
ATOM   746 C C   . ASP A 1 99  ? -28.579 -2.700  -13.299 1.00 98.15  ? 99  ASP A C   1 
ATOM   747 O O   . ASP A 1 99  ? -29.710 -2.214  -13.522 1.00 100.76 ? 99  ASP A O   1 
ATOM   748 C CB  . ASP A 1 99  ? -28.504 -1.644  -10.921 1.00 86.88  ? 99  ASP A CB  1 
ATOM   749 C CG  . ASP A 1 99  ? -29.981 -1.770  -10.575 1.00 85.32  ? 99  ASP A CG  1 
ATOM   750 O OD1 . ASP A 1 99  ? -30.507 -2.892  -10.724 1.00 73.13  ? 99  ASP A OD1 1 
ATOM   751 O OD2 . ASP A 1 99  ? -30.593 -0.746  -10.171 1.00 77.08  ? 99  ASP A OD2 1 
ATOM   752 N N   . GLY A 1 100 ? -27.804 -3.192  -14.281 1.00 94.12  ? 100 GLY A N   1 
ATOM   753 C CA  . GLY A 1 100 ? -28.220 -3.210  -15.698 1.00 104.52 ? 100 GLY A CA  1 
ATOM   754 C C   . GLY A 1 100 ? -27.292 -2.505  -16.685 1.00 107.67 ? 100 GLY A C   1 
ATOM   755 O O   . GLY A 1 100 ? -26.222 -1.980  -16.302 1.00 80.84  ? 100 GLY A O   1 
ATOM   756 N N   . ALA A 1 101 ? -27.712 -2.512  -17.961 1.00 117.69 ? 101 ALA A N   1 
ATOM   757 C CA  . ALA A 1 101 ? -27.048 -1.742  -19.034 1.00 124.24 ? 101 ALA A CA  1 
ATOM   758 C C   . ALA A 1 101 ? -27.053 -0.238  -18.714 1.00 116.12 ? 101 ALA A C   1 
ATOM   759 O O   . ALA A 1 101 ? -26.056 0.436   -18.968 1.00 105.34 ? 101 ALA A O   1 
ATOM   760 C CB  . ALA A 1 101 ? -27.692 -2.017  -20.401 1.00 122.82 ? 101 ALA A CB  1 
ATOM   761 N N   . GLY A 1 102 ? -28.162 0.253   -18.134 1.00 117.76 ? 102 GLY A N   1 
ATOM   762 C CA  . GLY A 1 102 ? -28.326 1.666   -17.711 1.00 116.35 ? 102 GLY A CA  1 
ATOM   763 C C   . GLY A 1 102 ? -28.697 1.994   -16.253 1.00 116.22 ? 102 GLY A C   1 
ATOM   764 O O   . GLY A 1 102 ? -28.923 3.168   -15.944 1.00 109.97 ? 102 GLY A O   1 
ATOM   765 N N   . GLY A 1 103 ? -28.758 0.991   -15.362 1.00 113.25 ? 103 GLY A N   1 
ATOM   766 C CA  . GLY A 1 103 ? -29.039 1.194   -13.917 1.00 100.09 ? 103 GLY A CA  1 
ATOM   767 C C   . GLY A 1 103 ? -27.837 1.598   -13.044 1.00 93.73  ? 103 GLY A C   1 
ATOM   768 O O   . GLY A 1 103 ? -26.683 1.633   -13.508 1.00 90.77  ? 103 GLY A O   1 
ATOM   769 N N   . ASN A 1 104 ? -28.110 1.888   -11.769 1.00 70.17  ? 104 ASN A N   1 
ATOM   770 C CA  . ASN A 1 104 ? -27.132 2.535   -10.906 1.00 65.28  ? 104 ASN A CA  1 
ATOM   771 C C   . ASN A 1 104 ? -26.309 1.577   -10.003 1.00 60.61  ? 104 ASN A C   1 
ATOM   772 O O   . ASN A 1 104 ? -26.794 1.114   -8.939  1.00 55.99  ? 104 ASN A O   1 
ATOM   773 C CB  . ASN A 1 104 ? -27.797 3.596   -10.032 1.00 67.08  ? 104 ASN A CB  1 
ATOM   774 C CG  . ASN A 1 104 ? -26.801 4.297   -9.126  1.00 65.65  ? 104 ASN A CG  1 
ATOM   775 O OD1 . ASN A 1 104 ? -26.747 4.034   -7.921  1.00 64.87  ? 104 ASN A OD1 1 
ATOM   776 N ND2 . ASN A 1 104 ? -25.961 5.140   -9.712  1.00 61.81  ? 104 ASN A ND2 1 
ATOM   777 N N   . ALA A 1 105 ? -25.043 1.369   -10.410 1.00 45.97  ? 105 ALA A N   1 
ATOM   778 C CA  . ALA A 1 105 ? -24.034 0.648   -9.603  1.00 34.61  ? 105 ALA A CA  1 
ATOM   779 C C   . ALA A 1 105 ? -23.267 1.526   -8.628  1.00 32.40  ? 105 ALA A C   1 
ATOM   780 O O   . ALA A 1 105 ? -22.210 1.135   -8.140  1.00 29.97  ? 105 ALA A O   1 
ATOM   781 C CB  . ALA A 1 105 ? -23.097 -0.107  -10.532 1.00 33.73  ? 105 ALA A CB  1 
ATOM   782 N N   . GLY A 1 106 ? -23.793 2.709   -8.288  1.00 28.72  ? 106 GLY A N   1 
ATOM   783 C CA  . GLY A 1 106 ? -23.180 3.664   -7.404  1.00 30.66  ? 106 GLY A CA  1 
ATOM   784 C C   . GLY A 1 106 ? -21.946 4.316   -8.022  1.00 28.14  ? 106 GLY A C   1 
ATOM   785 O O   . GLY A 1 106 ? -21.705 4.261   -9.243  1.00 27.04  ? 106 GLY A O   1 
ATOM   786 N N   . SER A 1 107 ? -21.070 4.795   -7.173  1.00 27.21  ? 107 SER A N   1 
ATOM   787 C CA  . SER A 1 107 ? -20.057 5.682   -7.678  1.00 28.16  ? 107 SER A CA  1 
ATOM   788 C C   . SER A 1 107 ? -18.937 4.832   -8.327  1.00 26.43  ? 107 SER A C   1 
ATOM   789 O O   . SER A 1 107 ? -18.863 3.600   -8.156  1.00 23.44  ? 107 SER A O   1 
ATOM   790 C CB  . SER A 1 107 ? -19.411 6.505   -6.549  1.00 31.11  ? 107 SER A CB  1 
ATOM   791 O OG  . SER A 1 107 ? -18.813 5.525   -5.750  1.00 36.38  ? 107 SER A OG  1 
ATOM   792 N N   . ARG A 1 108 ? -18.083 5.534   -9.021  1.00 21.91  ? 108 ARG A N   1 
ATOM   793 C CA  . ARG A 1 108 ? -16.923 4.902   -9.699  1.00 21.31  ? 108 ARG A CA  1 
ATOM   794 C C   . ARG A 1 108 ? -15.775 4.811   -8.640  1.00 20.78  ? 108 ARG A C   1 
ATOM   795 O O   . ARG A 1 108 ? -15.335 5.826   -8.109  1.00 24.68  ? 108 ARG A O   1 
ATOM   796 C CB  . ARG A 1 108 ? -16.432 5.735   -10.835 1.00 24.89  ? 108 ARG A CB  1 
ATOM   797 C CG  . ARG A 1 108 ? -17.457 5.886   -11.976 1.00 29.26  ? 108 ARG A CG  1 
ATOM   798 C CD  . ARG A 1 108 ? -16.775 6.675   -13.096 1.00 37.75  ? 108 ARG A CD  1 
ATOM   799 N NE  . ARG A 1 108 ? -17.366 6.453   -14.413 1.00 47.24  ? 108 ARG A NE  1 
ATOM   800 C CZ  . ARG A 1 108 ? -17.904 7.372   -15.232 1.00 72.28  ? 108 ARG A CZ  1 
ATOM   801 N NH1 . ARG A 1 108 ? -18.024 8.670   -14.892 1.00 76.63  ? 108 ARG A NH1 1 
ATOM   802 N NH2 . ARG A 1 108 ? -18.335 6.974   -16.439 1.00 73.98  ? 108 ARG A NH2 1 
ATOM   803 N N   . LEU A 1 109 ? -15.258 3.621   -8.455  1.00 17.82  ? 109 LEU A N   1 
ATOM   804 C CA  . LEU A 1 109 ? -14.103 3.413   -7.535  1.00 15.41  ? 109 LEU A CA  1 
ATOM   805 C C   . LEU A 1 109 ? -12.722 3.474   -8.219  1.00 17.53  ? 109 LEU A C   1 
ATOM   806 O O   . LEU A 1 109 ? -11.739 3.904   -7.542  1.00 17.86  ? 109 LEU A O   1 
ATOM   807 C CB  . LEU A 1 109 ? -14.206 2.100   -6.803  1.00 15.75  ? 109 LEU A CB  1 
ATOM   808 C CG  . LEU A 1 109 ? -15.450 1.947   -5.932  1.00 19.49  ? 109 LEU A CG  1 
ATOM   809 C CD1 . LEU A 1 109 ? -15.333 0.650   -5.208  1.00 24.72  ? 109 LEU A CD1 1 
ATOM   810 C CD2 . LEU A 1 109 ? -15.704 3.142   -5.076  1.00 21.42  ? 109 LEU A CD2 1 
ATOM   811 N N   . ALA A 1 110 ? -12.626 3.050   -9.485  1.00 15.29  ? 110 ALA A N   1 
ATOM   812 C CA  . ALA A 1 110 ? -11.396 3.084   -10.256 1.00 14.47  ? 110 ALA A CA  1 
ATOM   813 C C   . ALA A 1 110 ? -11.687 2.928   -11.697 1.00 17.20  ? 110 ALA A C   1 
ATOM   814 O O   . ALA A 1 110 ? -12.816 2.399   -12.042 1.00 17.53  ? 110 ALA A O   1 
ATOM   815 C CB  . ALA A 1 110 ? -10.475 1.972   -9.747  1.00 14.70  ? 110 ALA A CB  1 
ATOM   816 N N   . SER A 1 111 ? -10.821 3.465   -12.559 1.00 16.47  ? 111 SER A N   1 
ATOM   817 C CA  . SER A 1 111 ? -11.070 3.330   -13.961 1.00 17.31  ? 111 SER A CA  1 
ATOM   818 C C   . SER A 1 111 ? -9.748  3.294   -14.673 1.00 15.69  ? 111 SER A C   1 
ATOM   819 O O   . SER A 1 111 ? -8.716  3.673   -14.093 1.00 15.69  ? 111 SER A O   1 
ATOM   820 C CB  . SER A 1 111 ? -11.972 4.461   -14.477 1.00 21.93  ? 111 SER A CB  1 
ATOM   821 O OG  . SER A 1 111 ? -11.337 5.656   -14.270 1.00 19.82  ? 111 SER A OG  1 
ATOM   822 N N   . GLY A 1 112 ? -9.753  2.899   -15.913 1.00 16.58  ? 112 GLY A N   1 
ATOM   823 C CA  . GLY A 1 112 ? -8.589  3.025   -16.756 1.00 16.91  ? 112 GLY A CA  1 
ATOM   824 C C   . GLY A 1 112 ? -8.865  2.860   -18.235 1.00 18.17  ? 112 GLY A C   1 
ATOM   825 O O   . GLY A 1 112 ? -9.862  2.171   -18.652 1.00 17.63  ? 112 GLY A O   1 
ATOM   826 N N   . VAL A 1 113 ? -8.022  3.459   -19.040 1.00 16.40  ? 113 VAL A N   1 
ATOM   827 C CA  . VAL A 1 113 ? -8.160  3.379   -20.499 1.00 18.94  ? 113 VAL A CA  1 
ATOM   828 C C   . VAL A 1 113 ? -7.786  2.001   -20.992 1.00 17.82  ? 113 VAL A C   1 
ATOM   829 O O   . VAL A 1 113 ? -6.763  1.383   -20.585 1.00 16.15  ? 113 VAL A O   1 
ATOM   830 C CB  . VAL A 1 113 ? -7.315  4.476   -21.206 1.00 19.63  ? 113 VAL A CB  1 
ATOM   831 C CG1 . VAL A 1 113 ? -7.278  4.292   -22.689 1.00 20.94  ? 113 VAL A CG1 1 
ATOM   832 C CG2 . VAL A 1 113 ? -7.884  5.808   -20.857 1.00 21.22  ? 113 VAL A CG2 1 
ATOM   833 N N   . ILE A 1 114 ? -8.621  1.473   -21.854 1.00 17.13  ? 114 ILE A N   1 
ATOM   834 C CA  . ILE A 1 114 ? -8.331  0.180   -22.479 1.00 17.61  ? 114 ILE A CA  1 
ATOM   835 C C   . ILE A 1 114 ? -7.361  0.428   -23.654 1.00 19.13  ? 114 ILE A C   1 
ATOM   836 O O   . ILE A 1 114 ? -7.738  0.893   -24.728 1.00 22.76  ? 114 ILE A O   1 
ATOM   837 C CB  . ILE A 1 114 ? -9.646  -0.564  -22.971 1.00 17.28  ? 114 ILE A CB  1 
ATOM   838 C CG1 . ILE A 1 114 ? -10.601 -0.771  -21.813 1.00 19.22  ? 114 ILE A CG1 1 
ATOM   839 C CG2 . ILE A 1 114 ? -9.312  -1.871  -23.631 1.00 19.05  ? 114 ILE A CG2 1 
ATOM   840 C CD1 . ILE A 1 114 ? -12.015 -1.106  -22.186 1.00 21.69  ? 114 ILE A CD1 1 
ATOM   841 N N   . GLY A 1 115 ? -6.116  0.044   -23.476 1.00 18.48  ? 115 GLY A N   1 
ATOM   842 C CA  . GLY A 1 115 ? -5.041  0.374   -24.404 1.00 19.15  ? 115 GLY A CA  1 
ATOM   843 C C   . GLY A 1 115 ? -4.638  -0.831  -25.195 1.00 18.95  ? 115 GLY A C   1 
ATOM   844 O O   . GLY A 1 115 ? -4.573  -1.963  -24.676 1.00 20.60  ? 115 GLY A O   1 
ATOM   845 N N   . ILE A 1 116 ? -4.325  -0.583  -26.452 1.00 21.04  ? 116 ILE A N   1 
ATOM   846 C CA  . ILE A 1 116 ? -3.768  -1.663  -27.287 1.00 21.78  ? 116 ILE A CA  1 
ATOM   847 C C   . ILE A 1 116 ? -2.512  -2.298  -26.700 1.00 20.99  ? 116 ILE A C   1 
ATOM   848 O O   . ILE A 1 116 ? -1.636  -1.590  -26.212 1.00 21.07  ? 116 ILE A O   1 
ATOM   849 C CB  . ILE A 1 116 ? -3.499  -1.185  -28.743 1.00 25.82  ? 116 ILE A CB  1 
ATOM   850 C CG1 . ILE A 1 116 ? -3.012  -2.386  -29.605 1.00 31.11  ? 116 ILE A CG1 1 
ATOM   851 C CG2 . ILE A 1 116 ? -2.481  -0.087  -28.846 1.00 24.82  ? 116 ILE A CG2 1 
ATOM   852 C CD1 . ILE A 1 116 ? -3.308  -2.132  -31.079 1.00 40.86  ? 116 ILE A CD1 1 
ATOM   853 N N   . ALA A 1 117 ? -2.415  -3.622  -26.722 1.00 19.00  ? 117 ALA A N   1 
ATOM   854 C CA  . ALA A 1 117 ? -1.249  -4.305  -26.280 1.00 19.44  ? 117 ALA A CA  1 
ATOM   855 C C   . ALA A 1 117 ? -0.568  -5.164  -27.379 1.00 20.55  ? 117 ALA A C   1 
ATOM   856 O O   . ALA A 1 117 ? 0.660   -5.271  -27.447 1.00 22.41  ? 117 ALA A O   1 
ATOM   857 C CB  . ALA A 1 117 ? -1.579  -5.203  -25.100 1.00 19.22  ? 117 ALA A CB  1 
ATOM   858 N N   . GLN A 1 118 ? -1.378  -5.643  -28.313 1.00 21.65  ? 118 GLN A N   1 
ATOM   859 C CA  . GLN A 1 118 ? -0.875  -6.430  -29.471 1.00 22.93  ? 118 GLN A CA  1 
ATOM   860 C C   . GLN A 1 118 ? -1.882  -6.237  -30.594 1.00 29.42  ? 118 GLN A C   1 
ATOM   861 O O   . GLN A 1 118 ? -3.126  -6.164  -30.361 1.00 27.18  ? 118 GLN A O   1 
ATOM   862 C CB  . GLN A 1 118 ? -0.785  -7.866  -29.150 1.00 23.63  ? 118 GLN A CB  1 
ATOM   863 C CG  . GLN A 1 118 ? -0.017  -8.630  -30.267 1.00 25.37  ? 118 GLN A CG  1 
ATOM   864 C CD  . GLN A 1 118 ? 0.078   -10.093 -29.946 1.00 31.78  ? 118 GLN A CD  1 
ATOM   865 O OE1 . GLN A 1 118 ? -0.314  -10.534 -28.894 1.00 36.06  ? 118 GLN A OE1 1 
ATOM   866 N NE2 . GLN A 1 118 ? 0.537   -10.876 -30.907 1.00 47.95  ? 118 GLN A NE2 1 
ATOM   867 O OXT . GLN A 1 118 ? -1.374  -6.055  -31.723 1.00 27.36  ? 118 GLN A OXT 1 
HETATM 868 S S   . SO4 B 2 .   ? -20.039 4.140   -15.965 1.00 40.62  ? 201 SO4 A S   1 
HETATM 869 O O1  . SO4 B 2 .   ? -21.480 3.874   -15.796 1.00 52.57  ? 201 SO4 A O1  1 
HETATM 870 O O2  . SO4 B 2 .   ? -19.537 4.769   -17.144 1.00 41.37  ? 201 SO4 A O2  1 
HETATM 871 O O3  . SO4 B 2 .   ? -19.709 5.103   -14.863 1.00 40.63  ? 201 SO4 A O3  1 
HETATM 872 O O4  . SO4 B 2 .   ? -19.544 2.783   -15.775 1.00 42.13  ? 201 SO4 A O4  1 
HETATM 873 C C1  . GOL C 3 .   ? -12.997 -6.601  4.606   1.00 42.21  ? 202 GOL A C1  1 
HETATM 874 O O1  . GOL C 3 .   ? -12.906 -8.091  4.744   1.00 44.51  ? 202 GOL A O1  1 
HETATM 875 C C2  . GOL C 3 .   ? -13.668 -6.713  3.289   1.00 27.34  ? 202 GOL A C2  1 
HETATM 876 O O2  . GOL C 3 .   ? -14.951 -6.070  2.938   1.00 20.92  ? 202 GOL A O2  1 
HETATM 877 C C3  . GOL C 3 .   ? -12.497 -6.604  2.297   1.00 21.69  ? 202 GOL A C3  1 
HETATM 878 O O3  . GOL C 3 .   ? -12.276 -5.338  1.671   1.00 18.82  ? 202 GOL A O3  1 
HETATM 879 O O   . HOH D 4 .   ? -12.647 -9.889  5.793   1.00 37.57  ? 301 HOH A O   1 
HETATM 880 O O   . HOH D 4 .   ? -15.162 -7.590  -34.394 1.00 39.99  ? 302 HOH A O   1 
HETATM 881 O O   . HOH D 4 .   ? -25.953 -6.935  -9.995  1.00 41.60  ? 303 HOH A O   1 
HETATM 882 O O   . HOH D 4 .   ? -17.249 -3.750  -28.763 1.00 36.31  ? 304 HOH A O   1 
HETATM 883 O O   . HOH D 4 .   ? -20.295 2.964   -24.035 1.00 50.40  ? 305 HOH A O   1 
HETATM 884 O O   . HOH D 4 .   ? -17.128 -6.645  3.960   1.00 39.49  ? 306 HOH A O   1 
HETATM 885 O O   . HOH D 4 .   ? 0.000   0.000   -25.246 0.33 25.03  ? 307 HOH A O   1 
HETATM 886 O O   . HOH D 4 .   ? -3.365  -8.611  -1.257  1.00 30.10  ? 308 HOH A O   1 
HETATM 887 O O   . HOH D 4 .   ? -6.362  3.451   -6.647  1.00 24.97  ? 309 HOH A O   1 
HETATM 888 O O   . HOH D 4 .   ? -9.803  -8.475  -32.841 1.00 39.19  ? 310 HOH A O   1 
HETATM 889 O O   . HOH D 4 .   ? -20.601 -7.240  -22.653 1.00 46.95  ? 311 HOH A O   1 
HETATM 890 O O   . HOH D 4 .   ? -21.438 -5.083  -3.186  1.00 37.04  ? 312 HOH A O   1 
HETATM 891 O O   . HOH D 4 .   ? -20.087 -13.956 -7.290  1.00 44.14  ? 313 HOH A O   1 
HETATM 892 O O   . HOH D 4 .   ? -16.460 -4.019  -33.743 1.00 37.47  ? 314 HOH A O   1 
HETATM 893 O O   . HOH D 4 .   ? -11.528 6.514   -22.674 1.00 36.11  ? 315 HOH A O   1 
HETATM 894 O O   . HOH D 4 .   ? -1.232  -4.702  -6.610  1.00 47.49  ? 316 HOH A O   1 
HETATM 895 O O   . HOH D 4 .   ? -11.654 -7.526  7.009   1.00 44.78  ? 317 HOH A O   1 
HETATM 896 O O   . HOH D 4 .   ? -16.832 -8.828  4.671   1.00 44.94  ? 318 HOH A O   1 
HETATM 897 O O   . HOH D 4 .   ? -5.377  -1.339  -2.336  1.00 46.87  ? 319 HOH A O   1 
HETATM 898 O O   . HOH D 4 .   ? -9.851  -12.956 -37.763 1.00 57.37  ? 320 HOH A O   1 
HETATM 899 O O   . HOH D 4 .   ? -21.597 -11.240 -30.730 1.00 34.78  ? 321 HOH A O   1 
HETATM 900 O O   . HOH D 4 .   ? -13.753 6.835   -25.256 1.00 56.88  ? 322 HOH A O   1 
HETATM 901 O O   . HOH D 4 .   ? -16.007 8.322   -7.402  1.00 36.00  ? 323 HOH A O   1 
HETATM 902 O O   . HOH D 4 .   ? -4.858  1.804   -18.739 1.00 19.04  ? 324 HOH A O   1 
HETATM 903 O O   . HOH D 4 .   ? -18.830 1.009   -24.551 1.00 46.38  ? 325 HOH A O   1 
HETATM 904 O O   . HOH D 4 .   ? -11.809 2.099   -30.768 1.00 39.12  ? 326 HOH A O   1 
HETATM 905 O O   . HOH D 4 .   ? -26.870 -2.170  -7.060  1.00 47.07  ? 327 HOH A O   1 
HETATM 906 O O   . HOH D 4 .   ? -18.342 -12.089 -10.497 1.00 28.78  ? 328 HOH A O   1 
HETATM 907 O O   . HOH D 4 .   ? -21.518 -7.122  -30.413 1.00 38.72  ? 329 HOH A O   1 
HETATM 908 O O   . HOH D 4 .   ? -9.588  -1.042  -32.540 1.00 35.48  ? 330 HOH A O   1 
HETATM 909 O O   . HOH D 4 .   ? -19.626 -12.525 -20.500 1.00 27.58  ? 331 HOH A O   1 
HETATM 910 O O   . HOH D 4 .   ? -18.998 -6.439  1.929   1.00 34.95  ? 332 HOH A O   1 
HETATM 911 O O   . HOH D 4 .   ? -9.567  -16.933 -7.691  1.00 37.43  ? 333 HOH A O   1 
HETATM 912 O O   . HOH D 4 .   ? -1.097  -7.205  -17.817 1.00 15.73  ? 334 HOH A O   1 
HETATM 913 O O   . HOH D 4 .   ? -15.024 7.188   -15.610 1.00 46.95  ? 335 HOH A O   1 
HETATM 914 O O   . HOH D 4 .   ? -16.729 -10.234 -30.379 1.00 44.50  ? 336 HOH A O   1 
HETATM 915 O O   . HOH D 4 .   ? -22.696 -12.835 -29.152 1.00 37.18  ? 337 HOH A O   1 
HETATM 916 O O   . HOH D 4 .   ? -13.013 0.121   -1.512  1.00 22.20  ? 338 HOH A O   1 
HETATM 917 O O   . HOH D 4 .   ? -7.634  -5.615  -1.167  1.00 19.49  ? 339 HOH A O   1 
HETATM 918 O O   . HOH D 4 .   ? -18.335 -15.747 -19.599 1.00 41.70  ? 340 HOH A O   1 
HETATM 919 O O   . HOH D 4 .   ? -7.104  -6.146  -35.167 1.00 47.23  ? 341 HOH A O   1 
HETATM 920 O O   . HOH D 4 .   ? -6.048  4.395   -14.926 1.00 31.58  ? 342 HOH A O   1 
HETATM 921 O O   . HOH D 4 .   ? -10.390 -13.344 -5.722  1.00 25.54  ? 343 HOH A O   1 
HETATM 922 O O   . HOH D 4 .   ? -17.859 -0.536  -2.353  1.00 19.97  ? 344 HOH A O   1 
HETATM 923 O O   . HOH D 4 .   ? -11.847 -14.607 -30.497 1.00 31.44  ? 345 HOH A O   1 
HETATM 924 O O   . HOH D 4 .   ? -12.738 -2.854  2.889   1.00 26.56  ? 346 HOH A O   1 
HETATM 925 O O   . HOH D 4 .   ? -22.324 -8.494  -2.946  1.00 27.22  ? 347 HOH A O   1 
HETATM 926 O O   . HOH D 4 .   ? -5.027  -16.424 -18.994 1.00 51.78  ? 348 HOH A O   1 
HETATM 927 O O   . HOH D 4 .   ? -10.688 3.621   -4.914  1.00 17.35  ? 349 HOH A O   1 
HETATM 928 O O   . HOH D 4 .   ? -21.717 -9.050  -22.300 1.00 51.51  ? 350 HOH A O   1 
HETATM 929 O O   . HOH D 4 .   ? -14.547 -13.947 -13.211 1.00 38.94  ? 351 HOH A O   1 
HETATM 930 O O   . HOH D 4 .   ? -3.831  -7.107  -8.502  1.00 40.11  ? 352 HOH A O   1 
HETATM 931 O O   . HOH D 4 .   ? -14.727 -11.627 -10.213 1.00 22.75  ? 353 HOH A O   1 
HETATM 932 O O   . HOH D 4 .   ? -2.107  -9.162  -15.576 1.00 38.03  ? 354 HOH A O   1 
HETATM 933 O O   . HOH D 4 .   ? -17.433 -11.690 -13.881 1.00 45.44  ? 355 HOH A O   1 
HETATM 934 O O   . HOH D 4 .   ? -15.160 -1.234  -2.474  1.00 16.74  ? 356 HOH A O   1 
HETATM 935 O O   . HOH D 4 .   ? -16.916 -13.041 -2.086  1.00 33.92  ? 357 HOH A O   1 
HETATM 936 O O   . HOH D 4 .   ? -9.459  6.471   -16.300 1.00 28.28  ? 358 HOH A O   1 
HETATM 937 O O   . HOH D 4 .   ? -0.053  -0.117  -3.853  0.33 94.14  ? 359 HOH A O   1 
HETATM 938 O O   . HOH D 4 .   ? -23.616 2.555   -12.648 1.00 51.31  ? 360 HOH A O   1 
HETATM 939 O O   . HOH D 4 .   ? -12.458 -13.383 -7.081  1.00 29.97  ? 361 HOH A O   1 
HETATM 940 O O   . HOH D 4 .   ? -7.911  -14.390 -13.275 1.00 44.80  ? 362 HOH A O   1 
HETATM 941 O O   . HOH D 4 .   ? -12.380 4.750   -28.184 1.00 41.02  ? 363 HOH A O   1 
HETATM 942 O O   . HOH D 4 .   ? -13.268 -14.903 0.564   1.00 25.73  ? 364 HOH A O   1 
HETATM 943 O O   . HOH D 4 .   ? 0.005   0.006   -11.039 0.33 86.65  ? 365 HOH A O   1 
HETATM 944 O O   . HOH D 4 .   ? -24.122 -3.835  -22.427 1.00 41.82  ? 366 HOH A O   1 
HETATM 945 O O   . HOH D 4 .   ? -20.170 -9.519  -33.750 1.00 42.33  ? 367 HOH A O   1 
HETATM 946 O O   . HOH D 4 .   ? -18.669 8.403   -9.559  1.00 33.94  ? 368 HOH A O   1 
HETATM 947 O O   . HOH D 4 .   ? -24.153 -4.051  -3.898  1.00 35.14  ? 369 HOH A O   1 
HETATM 948 O O   . HOH D 4 .   ? -19.301 -15.402 -30.181 1.00 53.80  ? 370 HOH A O   1 
HETATM 949 O O   . HOH D 4 .   ? -20.969 -4.668  -36.693 1.00 49.95  ? 371 HOH A O   1 
HETATM 950 O O   . HOH D 4 .   ? -2.952  0.690   -20.737 1.00 36.48  ? 372 HOH A O   1 
HETATM 951 O O   . HOH D 4 .   ? -14.791 -2.971  -39.901 1.00 57.48  ? 373 HOH A O   1 
HETATM 952 O O   . HOH D 4 .   ? -8.412  8.930   -10.123 1.00 47.92  ? 374 HOH A O   1 
HETATM 953 O O   . HOH D 4 .   ? -1.472  -13.131 -18.106 1.00 34.44  ? 375 HOH A O   1 
HETATM 954 O O   . HOH D 4 .   ? -12.429 -15.798 -11.518 1.00 47.99  ? 376 HOH A O   1 
HETATM 955 O O   . HOH D 4 .   ? -7.499  -16.843 -16.634 1.00 50.95  ? 377 HOH A O   1 
HETATM 956 O O   . HOH D 4 .   ? -3.348  -10.072 -12.437 1.00 51.25  ? 378 HOH A O   1 
HETATM 957 O O   . HOH D 4 .   ? -20.304 2.799   -30.415 1.00 52.39  ? 379 HOH A O   1 
HETATM 958 O O   . HOH D 4 .   ? -13.808 -14.933 -36.672 1.00 56.55  ? 380 HOH A O   1 
HETATM 959 O O   . HOH D 4 .   ? -27.422 -5.419  -19.699 1.00 57.04  ? 381 HOH A O   1 
HETATM 960 O O   . HOH D 4 .   ? -10.087 -15.307 -27.353 1.00 53.02  ? 382 HOH A O   1 
HETATM 961 O O   . HOH D 4 .   ? -27.396 1.001   -0.409  1.00 61.99  ? 383 HOH A O   1 
HETATM 962 O O   . HOH D 4 .   ? -17.214 -17.452 -19.144 1.00 50.02  ? 384 HOH A O   1 
HETATM 963 O O   . HOH D 4 .   ? -15.117 8.165   -19.044 1.00 44.93  ? 385 HOH A O   1 
HETATM 964 O O   . HOH D 4 .   ? -9.270  -2.536  -36.145 1.00 53.36  ? 386 HOH A O   1 
HETATM 965 O O   . HOH D 4 .   ? -5.847  4.144   -0.187  1.00 34.76  ? 387 HOH A O   1 
HETATM 966 O O   . HOH D 4 .   ? -0.947  -4.324  -1.758  1.00 46.76  ? 388 HOH A O   1 
HETATM 967 O O   . HOH D 4 .   ? -20.775 -4.804  -23.470 1.00 45.96  ? 389 HOH A O   1 
HETATM 968 O O   . HOH D 4 .   ? -0.698  -13.485 -33.147 1.00 55.93  ? 390 HOH A O   1 
HETATM 969 O O   . HOH D 4 .   ? -4.436  -7.680  -0.001  0.50 59.09  ? 391 HOH A O   1 
HETATM 970 O O   . HOH D 4 .   ? -21.193 0.387   -29.309 1.00 63.29  ? 392 HOH A O   1 
HETATM 971 O O   . HOH D 4 .   ? -12.520 6.866   -10.753 1.00 45.75  ? 393 HOH A O   1 
HETATM 972 O O   . HOH D 4 .   ? -1.169  0.324   -0.134  1.00 83.75  ? 394 HOH A O   1 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   ALA 1   1   1   ALA ALA A . n 
A 1 2   THR 2   2   2   THR THR A . n 
A 1 3   LYS 3   3   3   LYS LYS A . n 
A 1 4   ALA 4   4   4   ALA ALA A . n 
A 1 5   VAL 5   5   5   VAL VAL A . n 
A 1 6   ALA 6   6   6   ALA ALA A . n 
A 1 7   VAL 7   7   7   VAL VAL A . n 
A 1 8   LEU 8   8   8   LEU LEU A . n 
A 1 9   LYS 9   9   9   LYS LYS A . n 
A 1 10  GLY 10  10  10  GLY GLY A . n 
A 1 11  ASP 11  11  11  ASP ASP A . n 
A 1 12  GLY 12  12  12  GLY GLY A . n 
A 1 13  PRO 13  13  13  PRO PRO A . n 
A 1 14  VAL 14  14  14  VAL VAL A . n 
A 1 15  GLN 15  15  15  GLN GLN A . n 
A 1 16  GLY 16  16  16  GLY GLY A . n 
A 1 17  ILE 17  17  17  ILE ILE A . n 
A 1 18  ILE 18  18  18  ILE ILE A . n 
A 1 19  ASN 19  19  19  ASN ASN A . n 
A 1 20  PHE 20  20  20  PHE PHE A . n 
A 1 21  GLU 21  21  21  GLU GLU A . n 
A 1 22  GLN 22  22  22  GLN GLN A . n 
A 1 23  LYS 23  23  23  LYS LYS A . n 
A 1 24  GLU 24  24  24  GLU GLU A . n 
A 1 25  SER 25  25  25  SER SER A . n 
A 1 26  ASN 26  26  26  ASN ASN A . n 
A 1 27  GLY 27  27  27  GLY GLY A . n 
A 1 28  PRO 28  28  28  PRO PRO A . n 
A 1 29  VAL 29  29  29  VAL VAL A . n 
A 1 30  LYS 30  30  30  LYS LYS A . n 
A 1 31  VAL 31  31  31  VAL VAL A . n 
A 1 32  TRP 32  32  32  TRP TRP A . n 
A 1 33  GLY 33  33  33  GLY GLY A . n 
A 1 34  SER 34  34  34  SER SER A . n 
A 1 35  ILE 35  35  35  ILE ILE A . n 
A 1 36  LYS 36  36  36  LYS LYS A . n 
A 1 37  GLY 37  37  37  GLY GLY A . n 
A 1 38  LEU 38  38  38  LEU LEU A . n 
A 1 39  THR 39  39  39  THR THR A . n 
A 1 40  GLU 40  40  40  GLU GLU A . n 
A 1 41  GLY 41  41  41  GLY GLY A . n 
A 1 42  LEU 42  42  42  LEU LEU A . n 
A 1 43  HIS 43  43  43  HIS HIS A . n 
A 1 44  GLY 44  44  44  GLY GLY A . n 
A 1 45  PHE 45  45  45  PHE PHE A . n 
A 1 46  HIS 46  46  46  HIS HIS A . n 
A 1 47  VAL 47  47  47  VAL VAL A . n 
A 1 48  HIS 48  48  48  HIS HIS A . n 
A 1 49  GLU 49  49  49  GLU GLU A . n 
A 1 50  GLU 50  50  50  GLU GLU A . n 
A 1 51  GLY 51  51  51  GLY GLY A . n 
A 1 52  ALA 52  52  52  ALA ALA A . n 
A 1 53  GLY 53  53  53  GLY GLY A . n 
A 1 54  HIS 54  54  54  HIS HIS A . n 
A 1 55  VAL 55  55  55  VAL VAL A . n 
A 1 56  GLY 56  56  56  GLY GLY A . n 
A 1 57  ASP 57  57  57  ASP ASP A . n 
A 1 58  LEU 58  58  58  LEU LEU A . n 
A 1 59  GLY 59  59  59  GLY GLY A . n 
A 1 60  ASN 60  60  60  ASN ASN A . n 
A 1 61  VAL 61  61  61  VAL VAL A . n 
A 1 62  THR 62  62  62  THR THR A . n 
A 1 63  ALA 63  63  63  ALA ALA A . n 
A 1 64  ASP 64  64  64  ASP ASP A . n 
A 1 65  LYS 65  65  65  LYS LYS A . n 
A 1 66  ASP 66  66  66  ASP ASP A . n 
A 1 67  GLY 67  67  67  GLY GLY A . n 
A 1 68  VAL 68  68  68  VAL VAL A . n 
A 1 69  ALA 69  69  69  ALA ALA A . n 
A 1 70  ASP 70  70  70  ASP ASP A . n 
A 1 71  VAL 71  71  71  VAL VAL A . n 
A 1 72  SER 72  72  72  SER SER A . n 
A 1 73  ILE 73  73  73  ILE ILE A . n 
A 1 74  GLU 74  74  74  GLU GLU A . n 
A 1 75  ASP 75  75  75  ASP ASP A . n 
A 1 76  SER 76  76  76  SER SER A . n 
A 1 77  VAL 77  77  77  VAL VAL A . n 
A 1 78  ILE 78  78  78  ILE ILE A . n 
A 1 79  SER 79  79  79  SER SER A . n 
A 1 80  LEU 80  80  80  LEU LEU A . n 
A 1 81  SER 81  81  81  SER SER A . n 
A 1 82  GLY 82  82  82  GLY GLY A . n 
A 1 83  ASP 83  83  83  ASP ASP A . n 
A 1 84  HIS 84  84  84  HIS HIS A . n 
A 1 85  SER 85  85  85  SER SER A . n 
A 1 86  ILE 86  86  86  ILE ILE A . n 
A 1 87  ILE 87  87  87  ILE ILE A . n 
A 1 88  GLY 88  88  88  GLY GLY A . n 
A 1 89  ARG 89  89  89  ARG ARG A . n 
A 1 90  THR 90  90  90  THR THR A . n 
A 1 91  LEU 91  91  91  LEU LEU A . n 
A 1 92  VAL 92  92  92  VAL VAL A . n 
A 1 93  VAL 93  93  93  VAL VAL A . n 
A 1 94  HIS 94  94  94  HIS HIS A . n 
A 1 95  GLU 95  95  95  GLU GLU A . n 
A 1 96  LYS 96  96  96  LYS LYS A . n 
A 1 97  ALA 97  97  97  ALA ALA A . n 
A 1 98  ASP 98  98  98  ASP ASP A . n 
A 1 99  ASP 99  99  99  ASP ASP A . n 
A 1 100 GLY 100 100 100 GLY GLY A . n 
A 1 101 ALA 101 101 101 ALA ALA A . n 
A 1 102 GLY 102 102 102 GLY GLY A . n 
A 1 103 GLY 103 103 103 GLY GLY A . n 
A 1 104 ASN 104 104 104 ASN ASN A . n 
A 1 105 ALA 105 105 105 ALA ALA A . n 
A 1 106 GLY 106 106 106 GLY GLY A . n 
A 1 107 SER 107 107 107 SER SER A . n 
A 1 108 ARG 108 108 108 ARG ARG A . n 
A 1 109 LEU 109 109 109 LEU LEU A . n 
A 1 110 ALA 110 110 110 ALA ALA A . n 
A 1 111 SER 111 111 111 SER SER A . n 
A 1 112 GLY 112 112 112 GLY GLY A . n 
A 1 113 VAL 113 113 113 VAL VAL A . n 
A 1 114 ILE 114 114 114 ILE ILE A . n 
A 1 115 GLY 115 115 115 GLY GLY A . n 
A 1 116 ILE 116 116 116 ILE ILE A . n 
A 1 117 ALA 117 117 117 ALA ALA A . n 
A 1 118 GLN 118 118 118 GLN GLN A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 SO4 1  201 1  SO4 SO4 A . 
C 3 GOL 1  202 1  GOL GOL A . 
D 4 HOH 1  301 68 HOH HOH A . 
D 4 HOH 2  302 50 HOH HOH A . 
D 4 HOH 3  303 79 HOH HOH A . 
D 4 HOH 4  304 31 HOH HOH A . 
D 4 HOH 5  305 81 HOH HOH A . 
D 4 HOH 6  306 35 HOH HOH A . 
D 4 HOH 7  307 22 HOH HOH A . 
D 4 HOH 8  308 1  HOH HOH A . 
D 4 HOH 9  309 19 HOH HOH A . 
D 4 HOH 10 310 39 HOH HOH A . 
D 4 HOH 11 311 29 HOH HOH A . 
D 4 HOH 12 312 30 HOH HOH A . 
D 4 HOH 13 313 90 HOH HOH A . 
D 4 HOH 14 314 44 HOH HOH A . 
D 4 HOH 15 315 34 HOH HOH A . 
D 4 HOH 16 316 32 HOH HOH A . 
D 4 HOH 17 317 85 HOH HOH A . 
D 4 HOH 18 318 64 HOH HOH A . 
D 4 HOH 19 319 49 HOH HOH A . 
D 4 HOH 20 320 33 HOH HOH A . 
D 4 HOH 21 321 52 HOH HOH A . 
D 4 HOH 22 322 84 HOH HOH A . 
D 4 HOH 23 323 51 HOH HOH A . 
D 4 HOH 24 324 8  HOH HOH A . 
D 4 HOH 25 325 82 HOH HOH A . 
D 4 HOH 26 326 87 HOH HOH A . 
D 4 HOH 27 327 66 HOH HOH A . 
D 4 HOH 28 328 17 HOH HOH A . 
D 4 HOH 29 329 70 HOH HOH A . 
D 4 HOH 30 330 26 HOH HOH A . 
D 4 HOH 31 331 15 HOH HOH A . 
D 4 HOH 32 332 48 HOH HOH A . 
D 4 HOH 33 333 40 HOH HOH A . 
D 4 HOH 34 334 2  HOH HOH A . 
D 4 HOH 35 335 78 HOH HOH A . 
D 4 HOH 36 336 69 HOH HOH A . 
D 4 HOH 37 337 45 HOH HOH A . 
D 4 HOH 38 338 7  HOH HOH A . 
D 4 HOH 39 339 4  HOH HOH A . 
D 4 HOH 40 340 21 HOH HOH A . 
D 4 HOH 41 341 88 HOH HOH A . 
D 4 HOH 42 342 27 HOH HOH A . 
D 4 HOH 43 343 11 HOH HOH A . 
D 4 HOH 44 344 16 HOH HOH A . 
D 4 HOH 45 345 28 HOH HOH A . 
D 4 HOH 46 346 14 HOH HOH A . 
D 4 HOH 47 347 20 HOH HOH A . 
D 4 HOH 48 348 53 HOH HOH A . 
D 4 HOH 49 349 6  HOH HOH A . 
D 4 HOH 50 350 47 HOH HOH A . 
D 4 HOH 51 351 10 HOH HOH A . 
D 4 HOH 52 352 37 HOH HOH A . 
D 4 HOH 53 353 13 HOH HOH A . 
D 4 HOH 54 354 25 HOH HOH A . 
D 4 HOH 55 355 76 HOH HOH A . 
D 4 HOH 56 356 3  HOH HOH A . 
D 4 HOH 57 357 46 HOH HOH A . 
D 4 HOH 58 358 12 HOH HOH A . 
D 4 HOH 59 359 63 HOH HOH A . 
D 4 HOH 60 360 74 HOH HOH A . 
D 4 HOH 61 361 9  HOH HOH A . 
D 4 HOH 62 362 38 HOH HOH A . 
D 4 HOH 63 363 65 HOH HOH A . 
D 4 HOH 64 364 23 HOH HOH A . 
D 4 HOH 65 365 93 HOH HOH A . 
D 4 HOH 66 366 43 HOH HOH A . 
D 4 HOH 67 367 54 HOH HOH A . 
D 4 HOH 68 368 5  HOH HOH A . 
D 4 HOH 69 369 36 HOH HOH A . 
D 4 HOH 70 370 71 HOH HOH A . 
D 4 HOH 71 371 67 HOH HOH A . 
D 4 HOH 72 372 18 HOH HOH A . 
D 4 HOH 73 373 72 HOH HOH A . 
D 4 HOH 74 374 55 HOH HOH A . 
D 4 HOH 75 375 24 HOH HOH A . 
D 4 HOH 76 376 75 HOH HOH A . 
D 4 HOH 77 377 62 HOH HOH A . 
D 4 HOH 78 378 42 HOH HOH A . 
D 4 HOH 79 379 56 HOH HOH A . 
D 4 HOH 80 380 92 HOH HOH A . 
D 4 HOH 81 381 86 HOH HOH A . 
D 4 HOH 82 382 57 HOH HOH A . 
D 4 HOH 83 383 80 HOH HOH A . 
D 4 HOH 84 384 91 HOH HOH A . 
D 4 HOH 85 385 58 HOH HOH A . 
D 4 HOH 86 386 59 HOH HOH A . 
D 4 HOH 87 387 60 HOH HOH A . 
D 4 HOH 88 388 61 HOH HOH A . 
D 4 HOH 89 389 83 HOH HOH A . 
D 4 HOH 90 390 89 HOH HOH A . 
D 4 HOH 91 391 41 HOH HOH A . 
D 4 HOH 92 392 73 HOH HOH A . 
D 4 HOH 93 393 94 HOH HOH A . 
D 4 HOH 94 394 77 HOH HOH A . 
# 
_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   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 390  ? 
1 MORE         -19  ? 
1 'SSA (A^2)'  6410 ? 
# 
_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_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 307 ? D HOH . 
2 1 A HOH 359 ? D HOH . 
3 1 A HOH 365 ? D HOH . 
4 1 A HOH 391 ? D HOH . 
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2018-11-07 
2 'Structure model' 1 1 2019-04-24 
3 'Structure model' 1 2 2019-10-16 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' Advisory              
2 2 'Structure model' 'Data collection'     
3 2 'Structure model' 'Database references' 
4 3 'Structure model' 'Data collection'     
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation                    
2 2 'Structure model' pdbx_database_proc          
3 2 'Structure model' pdbx_validate_close_contact 
4 3 'Structure model' reflns_shell                
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_abbrev' 
2 2 'Structure model' '_citation.journal_volume' 
3 2 'Structure model' '_citation.page_first'     
4 2 'Structure model' '_citation.page_last'      
5 2 'Structure model' '_citation.title'          
6 3 'Structure model' '_reflns_shell.d_res_high' 
7 3 'Structure model' '_reflns_shell.d_res_low'  
# 
_phasing.method   MR 
# 
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 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? Aimless     ? ? ? 0.5.27   1 
? phasing           ? ? ? ? ? ? ? ? ? ? ? MOLREP      ? ? ? .        2 
? refinement        ? ? ? ? ? ? ? ? ? ? ? REFMAC      ? ? ? 5.8.0158 3 
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.24     4 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? XDS         ? ? ? .        5 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O  A HOH 340 ? ? O A HOH 384 ? ? 2.09 
2 1 O1 A GOL 202 ? ? O A HOH 301 ? ? 2.10 
3 1 O  A HOH 311 ? ? O A HOH 350 ? ? 2.16 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 394 ? ? 1_555 O A HOH 394 ? ? 5_555  0.70 
2 1 O A HOH 350 ? ? 1_555 O A HOH 350 ? ? 18_444 1.38 
3 1 O A HOH 383 ? ? 1_555 O A HOH 383 ? ? 5_555  2.16 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            C 
_pdbx_validate_rmsd_bond.auth_asym_id_1            A 
_pdbx_validate_rmsd_bond.auth_comp_id_1            HIS 
_pdbx_validate_rmsd_bond.auth_seq_id_1             48 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            O 
_pdbx_validate_rmsd_bond.auth_asym_id_2            A 
_pdbx_validate_rmsd_bond.auth_comp_id_2            HIS 
_pdbx_validate_rmsd_bond.auth_seq_id_2             48 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.346 
_pdbx_validate_rmsd_bond.bond_target_value         1.229 
_pdbx_validate_rmsd_bond.bond_deviation            0.117 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.019 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CB 
_pdbx_validate_rmsd_angle.auth_asym_id_1             A 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ASP 
_pdbx_validate_rmsd_angle.auth_seq_id_1              11 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_2             A 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ASP 
_pdbx_validate_rmsd_angle.auth_seq_id_2              11 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             OD2 
_pdbx_validate_rmsd_angle.auth_asym_id_3             A 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ASP 
_pdbx_validate_rmsd_angle.auth_seq_id_3              11 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                112.61 
_pdbx_validate_rmsd_angle.angle_target_value         118.30 
_pdbx_validate_rmsd_angle.angle_deviation            -5.69 
_pdbx_validate_rmsd_angle.angle_standard_deviation   0.90 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ALA 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     52 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -23.73 
_pdbx_validate_torsion.psi             120.66 
# 
_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_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'SULFATE ION' SO4 
3 GLYCEROL      GOL 
4 water         HOH 
# 
_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                ? 
# 
