data_9G76
# 
_entry.id   9G76 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9G76         pdb_00009g76 10.2210/pdb9g76/pdb 
WWPDB D_1292140213 ?            ?                   
# 
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 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-03-19 ? 
2 'Structure model' 1 1 2025-04-09 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
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' citation_author 
# 
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_volume'          
2 2 'Structure model' '_citation.page_first'              
3 2 'Structure model' '_citation.page_last'               
4 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9G76 
_pdbx_database_status.recvd_initial_deposition_date   2024-07-19 
_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.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              hschreuder@gmx.de 
_pdbx_contact_author.name_first         Herman 
_pdbx_contact_author.name_last          Schreuder 
_pdbx_contact_author.name_mi            A 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-2249-2782 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Schreuder, H.A.' 1 0000-0003-2249-2782 
'Hofmeister, A.'  2 0000-0002-9373-9650 
# 
_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.Med.Chem. 
_citation.journal_id_ASTM           JMCMAR 
_citation.journal_id_CSD            0151 
_citation.journal_id_ISSN           0022-2623 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            68 
_citation.language                  ? 
_citation.page_first                6193 
_citation.page_last                 6209 
_citation.title                     'Trivalent siRNA-Conjugates with Guanosine as ASGPR-Binder Show Potent Knock-Down In Vivo.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.jmedchem.4c02275 
_citation.pdbx_database_id_PubMed   40052708 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Hofmeister, A.'    1  ? 
primary 'Jahn-Hofmann, K.'  2  ? 
primary 'Brunner, B.'       3  ? 
primary 'Helms, M.'         4  ? 
primary 'Metz-Weidmann, C.' 5  ? 
primary 'Poeverlein, C.'    6  ? 
primary 'Zech, G.'          7  ? 
primary 'Li, Z.'            8  ? 
primary 'Hessler, G.'       9  ? 
primary 'Schreuder, H.'     10 ? 
primary 'Elshorst, B.'      11 ? 
primary 'Krack, A.'         12 ? 
primary 'Kurz, M.'          13 ? 
primary 'Heubel, C.'        14 ? 
primary 'Scheidler, S.'     15 ? 
# 
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 'Asialoglycoprotein receptor 1'             17984.582 1   ? ? ? ? 
2 non-polymer syn 'CALCIUM ION'                               40.078    3   ? ? ? ? 
3 non-polymer syn GLYCEROL                                    92.094    1   ? ? ? ? 
4 non-polymer syn 2-acetamido-2-deoxy-alpha-D-galactopyranose 221.208   1   ? ? ? ? 
5 non-polymer nat 2-acetamido-2-deoxy-beta-D-galactopyranose  221.208   1   ? ? ? ? 
6 water       nat water                                       18.015    216 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'ASGPR 1,C-type lectin domain family 4 member H1,Hepatic lectin H1,HL-1' 
# 
_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       
;MGSERTCCPVNWVEHERSCYWFSRSGKAWADADNYCRLEDAHLVVVTSWEEQKFVQHHIGPVNTWMGLHDQNGPWKWVDG
TDYETGFKNWRPEQPDDWYGHGLGGGEDCAHFTDDGRWNDDVCQRPYRWVCETELDKASQEPPLLGSHHHHHH
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MGSERTCCPVNWVEHERSCYWFSRSGKAWADADNYCRLEDAHLVVVTSWEEQKFVQHHIGPVNTWMGLHDQNGPWKWVDG
TDYETGFKNWRPEQPDDWYGHGLGGGEDCAHFTDDGRWNDDVCQRPYRWVCETELDKASQEPPLLGSHHHHHH
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'CALCIUM ION'                               CA  
3 GLYCEROL                                    GOL 
4 2-acetamido-2-deoxy-alpha-D-galactopyranose A2G 
5 2-acetamido-2-deoxy-beta-D-galactopyranose  NGA 
6 water                                       HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   GLY n 
1 3   SER n 
1 4   GLU n 
1 5   ARG n 
1 6   THR n 
1 7   CYS n 
1 8   CYS n 
1 9   PRO n 
1 10  VAL n 
1 11  ASN n 
1 12  TRP n 
1 13  VAL n 
1 14  GLU n 
1 15  HIS n 
1 16  GLU n 
1 17  ARG n 
1 18  SER n 
1 19  CYS n 
1 20  TYR n 
1 21  TRP n 
1 22  PHE n 
1 23  SER n 
1 24  ARG n 
1 25  SER n 
1 26  GLY n 
1 27  LYS n 
1 28  ALA n 
1 29  TRP n 
1 30  ALA n 
1 31  ASP n 
1 32  ALA n 
1 33  ASP n 
1 34  ASN n 
1 35  TYR n 
1 36  CYS n 
1 37  ARG n 
1 38  LEU n 
1 39  GLU n 
1 40  ASP n 
1 41  ALA n 
1 42  HIS n 
1 43  LEU n 
1 44  VAL n 
1 45  VAL n 
1 46  VAL n 
1 47  THR n 
1 48  SER n 
1 49  TRP n 
1 50  GLU n 
1 51  GLU n 
1 52  GLN n 
1 53  LYS n 
1 54  PHE n 
1 55  VAL n 
1 56  GLN n 
1 57  HIS n 
1 58  HIS n 
1 59  ILE n 
1 60  GLY n 
1 61  PRO n 
1 62  VAL n 
1 63  ASN n 
1 64  THR n 
1 65  TRP n 
1 66  MET n 
1 67  GLY n 
1 68  LEU n 
1 69  HIS n 
1 70  ASP n 
1 71  GLN n 
1 72  ASN n 
1 73  GLY n 
1 74  PRO n 
1 75  TRP n 
1 76  LYS n 
1 77  TRP n 
1 78  VAL n 
1 79  ASP n 
1 80  GLY n 
1 81  THR n 
1 82  ASP n 
1 83  TYR n 
1 84  GLU n 
1 85  THR n 
1 86  GLY n 
1 87  PHE n 
1 88  LYS n 
1 89  ASN n 
1 90  TRP n 
1 91  ARG n 
1 92  PRO n 
1 93  GLU n 
1 94  GLN n 
1 95  PRO n 
1 96  ASP n 
1 97  ASP n 
1 98  TRP n 
1 99  TYR n 
1 100 GLY n 
1 101 HIS n 
1 102 GLY n 
1 103 LEU n 
1 104 GLY n 
1 105 GLY n 
1 106 GLY n 
1 107 GLU n 
1 108 ASP n 
1 109 CYS n 
1 110 ALA n 
1 111 HIS n 
1 112 PHE n 
1 113 THR n 
1 114 ASP n 
1 115 ASP n 
1 116 GLY n 
1 117 ARG n 
1 118 TRP n 
1 119 ASN n 
1 120 ASP n 
1 121 ASP n 
1 122 VAL n 
1 123 CYS n 
1 124 GLN n 
1 125 ARG n 
1 126 PRO n 
1 127 TYR n 
1 128 ARG n 
1 129 TRP n 
1 130 VAL n 
1 131 CYS n 
1 132 GLU n 
1 133 THR n 
1 134 GLU n 
1 135 LEU n 
1 136 ASP n 
1 137 LYS n 
1 138 ALA n 
1 139 SER n 
1 140 GLN n 
1 141 GLU n 
1 142 PRO n 
1 143 PRO n 
1 144 LEU n 
1 145 LEU n 
1 146 GLY n 
1 147 SER n 
1 148 HIS n 
1 149 HIS n 
1 150 HIS n 
1 151 HIS n 
1 152 HIS n 
1 153 HIS 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                   153 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'ASGR1, CLEC4H1' 
_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' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_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                   ? 
# 
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 
A2G 'D-saccharide, alpha linking' . 2-acetamido-2-deoxy-alpha-D-galactopyranose 
;N-acetyl-alpha-D-galactosamine; 2-acetamido-2-deoxy-alpha-D-galactose; 2-acetamido-2-deoxy-D-galactose; 2-acetamido-2-deoxy-galactose; N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE
;
'C8 H15 N O6'    221.208 
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 
CA  non-polymer                   . 'CALCIUM ION'                               ? 'Ca 2'           40.078  
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 
MET 'L-peptide linking'           y METHIONINE                                  ? 'C5 H11 N O2 S'  149.211 
NGA 'D-saccharide, beta linking'  . 2-acetamido-2-deoxy-beta-D-galactopyranose  
;N-acetyl-beta-D-galactosamine; 2-acetamido-2-deoxy-beta-D-galactose; 2-acetamido-2-deoxy-D-galactose; 2-acetamido-2-deoxy-galactose; N-ACETYL-D-GALACTOSAMINE
;
'C8 H15 N O6'    221.208 
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 
THR 'L-peptide linking'           y THREONINE                                   ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking'           y TRYPTOPHAN                                  ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking'           y TYROSINE                                    ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking'           y VALINE                                      ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
A2G 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DGalpNAca                        
A2G 'COMMON NAME'                         GMML     1.0 N-acetyl-a-D-galactopyranosamine 
A2G 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 a-D-GalpNAc                      
A2G 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 GalNAc                           
NGA 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DGalpNAcb                        
NGA 'COMMON NAME'                         GMML     1.0 N-acetyl-b-D-galactopyranosamine 
NGA 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 b-D-GalpNAc                      
NGA 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 GalNAc                           
# 
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   MET 1   146 ?   ?   ?   A . n 
A 1 2   GLY 2   147 ?   ?   ?   A . n 
A 1 3   SER 3   148 ?   ?   ?   A . n 
A 1 4   GLU 4   149 ?   ?   ?   A . n 
A 1 5   ARG 5   150 ?   ?   ?   A . n 
A 1 6   THR 6   151 ?   ?   ?   A . n 
A 1 7   CYS 7   152 152 CYS CYS A . n 
A 1 8   CYS 8   153 153 CYS CYS A . n 
A 1 9   PRO 9   154 154 PRO PRO A . n 
A 1 10  VAL 10  155 155 VAL VAL A . n 
A 1 11  ASN 11  156 156 ASN ASN A . n 
A 1 12  TRP 12  157 157 TRP TRP A . n 
A 1 13  VAL 13  158 158 VAL VAL A . n 
A 1 14  GLU 14  159 159 GLU GLU A . n 
A 1 15  HIS 15  160 160 HIS HIS A . n 
A 1 16  GLU 16  161 161 GLU GLU A . n 
A 1 17  ARG 17  162 162 ARG ARG A . n 
A 1 18  SER 18  163 163 SER SER A . n 
A 1 19  CYS 19  164 164 CYS CYS A . n 
A 1 20  TYR 20  165 165 TYR TYR A . n 
A 1 21  TRP 21  166 166 TRP TRP A . n 
A 1 22  PHE 22  167 167 PHE PHE A . n 
A 1 23  SER 23  168 168 SER SER A . n 
A 1 24  ARG 24  169 169 ARG ARG A . n 
A 1 25  SER 25  170 170 SER SER A . n 
A 1 26  GLY 26  171 171 GLY GLY A . n 
A 1 27  LYS 27  172 172 LYS LYS A . n 
A 1 28  ALA 28  173 173 ALA ALA A . n 
A 1 29  TRP 29  174 174 TRP TRP A . n 
A 1 30  ALA 30  175 175 ALA ALA A . n 
A 1 31  ASP 31  176 176 ASP ASP A . n 
A 1 32  ALA 32  177 177 ALA ALA A . n 
A 1 33  ASP 33  178 178 ASP ASP A . n 
A 1 34  ASN 34  179 179 ASN ASN A . n 
A 1 35  TYR 35  180 180 TYR TYR A . n 
A 1 36  CYS 36  181 181 CYS CYS A . n 
A 1 37  ARG 37  182 182 ARG ARG A . n 
A 1 38  LEU 38  183 183 LEU LEU A . n 
A 1 39  GLU 39  184 184 GLU GLU A . n 
A 1 40  ASP 40  185 185 ASP ASP A . n 
A 1 41  ALA 41  186 186 ALA ALA A . n 
A 1 42  HIS 42  187 187 HIS HIS A . n 
A 1 43  LEU 43  188 188 LEU LEU A . n 
A 1 44  VAL 44  189 189 VAL VAL A . n 
A 1 45  VAL 45  190 190 VAL VAL A . n 
A 1 46  VAL 46  191 191 VAL VAL A . n 
A 1 47  THR 47  192 192 THR THR A . n 
A 1 48  SER 48  193 193 SER SER A . n 
A 1 49  TRP 49  194 194 TRP TRP A . n 
A 1 50  GLU 50  195 195 GLU GLU A . n 
A 1 51  GLU 51  196 196 GLU GLU A . n 
A 1 52  GLN 52  197 197 GLN GLN A . n 
A 1 53  LYS 53  198 198 LYS LYS A . n 
A 1 54  PHE 54  199 199 PHE PHE A . n 
A 1 55  VAL 55  200 200 VAL VAL A . n 
A 1 56  GLN 56  201 201 GLN GLN A . n 
A 1 57  HIS 57  202 202 HIS HIS A . n 
A 1 58  HIS 58  203 203 HIS HIS A . n 
A 1 59  ILE 59  204 204 ILE ILE A . n 
A 1 60  GLY 60  205 205 GLY GLY A . n 
A 1 61  PRO 61  206 206 PRO PRO A . n 
A 1 62  VAL 62  207 207 VAL VAL A . n 
A 1 63  ASN 63  208 208 ASN ASN A . n 
A 1 64  THR 64  209 209 THR THR A . n 
A 1 65  TRP 65  210 210 TRP TRP A . n 
A 1 66  MET 66  211 211 MET MET A . n 
A 1 67  GLY 67  212 212 GLY GLY A . n 
A 1 68  LEU 68  213 213 LEU LEU A . n 
A 1 69  HIS 69  214 214 HIS HIS A . n 
A 1 70  ASP 70  215 215 ASP ASP A . n 
A 1 71  GLN 71  216 216 GLN GLN A . n 
A 1 72  ASN 72  217 217 ASN ASN A . n 
A 1 73  GLY 73  218 218 GLY GLY A . n 
A 1 74  PRO 74  219 219 PRO PRO A . n 
A 1 75  TRP 75  220 220 TRP TRP A . n 
A 1 76  LYS 76  221 221 LYS LYS A . n 
A 1 77  TRP 77  222 222 TRP TRP A . n 
A 1 78  VAL 78  223 223 VAL VAL A . n 
A 1 79  ASP 79  224 224 ASP ASP A . n 
A 1 80  GLY 80  225 225 GLY GLY A . n 
A 1 81  THR 81  226 226 THR THR A . n 
A 1 82  ASP 82  227 227 ASP ASP A . n 
A 1 83  TYR 83  228 228 TYR TYR A . n 
A 1 84  GLU 84  229 229 GLU GLU A . n 
A 1 85  THR 85  230 230 THR THR A . n 
A 1 86  GLY 86  231 231 GLY GLY A . n 
A 1 87  PHE 87  232 232 PHE PHE A . n 
A 1 88  LYS 88  233 233 LYS LYS A . n 
A 1 89  ASN 89  234 234 ASN ASN A . n 
A 1 90  TRP 90  235 235 TRP TRP A . n 
A 1 91  ARG 91  236 236 ARG ARG A . n 
A 1 92  PRO 92  237 237 PRO PRO A . n 
A 1 93  GLU 93  238 238 GLU GLU A . n 
A 1 94  GLN 94  239 239 GLN GLN A . n 
A 1 95  PRO 95  240 240 PRO PRO A . n 
A 1 96  ASP 96  241 241 ASP ASP A . n 
A 1 97  ASP 97  242 242 ASP ASP A . n 
A 1 98  TRP 98  243 243 TRP TRP A . n 
A 1 99  TYR 99  244 244 TYR TYR A . n 
A 1 100 GLY 100 245 245 GLY GLY A . n 
A 1 101 HIS 101 246 246 HIS HIS A . n 
A 1 102 GLY 102 247 247 GLY GLY A . n 
A 1 103 LEU 103 248 248 LEU LEU A . n 
A 1 104 GLY 104 249 249 GLY GLY A . n 
A 1 105 GLY 105 250 250 GLY GLY A . n 
A 1 106 GLY 106 251 251 GLY GLY A . n 
A 1 107 GLU 107 252 252 GLU GLU A . n 
A 1 108 ASP 108 253 253 ASP ASP A . n 
A 1 109 CYS 109 254 254 CYS CYS A . n 
A 1 110 ALA 110 255 255 ALA ALA A . n 
A 1 111 HIS 111 256 256 HIS HIS A . n 
A 1 112 PHE 112 257 257 PHE PHE A . n 
A 1 113 THR 113 258 258 THR THR A . n 
A 1 114 ASP 114 259 259 ASP ASP A . n 
A 1 115 ASP 115 260 260 ASP ASP A . n 
A 1 116 GLY 116 261 261 GLY GLY A . n 
A 1 117 ARG 117 262 262 ARG ARG A . n 
A 1 118 TRP 118 263 263 TRP TRP A . n 
A 1 119 ASN 119 264 264 ASN ASN A . n 
A 1 120 ASP 120 265 265 ASP ASP A . n 
A 1 121 ASP 121 266 266 ASP ASP A . n 
A 1 122 VAL 122 267 267 VAL VAL A . n 
A 1 123 CYS 123 268 268 CYS CYS A . n 
A 1 124 GLN 124 269 269 GLN GLN A . n 
A 1 125 ARG 125 270 270 ARG ARG A . n 
A 1 126 PRO 126 271 271 PRO PRO A . n 
A 1 127 TYR 127 272 272 TYR TYR A . n 
A 1 128 ARG 128 273 273 ARG ARG A . n 
A 1 129 TRP 129 274 274 TRP TRP A . n 
A 1 130 VAL 130 275 275 VAL VAL A . n 
A 1 131 CYS 131 276 276 CYS CYS A . n 
A 1 132 GLU 132 277 277 GLU GLU A . n 
A 1 133 THR 133 278 278 THR THR A . n 
A 1 134 GLU 134 279 279 GLU GLU A . n 
A 1 135 LEU 135 280 280 LEU LEU A . n 
A 1 136 ASP 136 281 ?   ?   ?   A . n 
A 1 137 LYS 137 282 ?   ?   ?   A . n 
A 1 138 ALA 138 283 ?   ?   ?   A . n 
A 1 139 SER 139 284 ?   ?   ?   A . n 
A 1 140 GLN 140 285 ?   ?   ?   A . n 
A 1 141 GLU 141 286 ?   ?   ?   A . n 
A 1 142 PRO 142 287 ?   ?   ?   A . n 
A 1 143 PRO 143 288 ?   ?   ?   A . n 
A 1 144 LEU 144 289 ?   ?   ?   A . n 
A 1 145 LEU 145 290 ?   ?   ?   A . n 
A 1 146 GLY 146 291 ?   ?   ?   A . n 
A 1 147 SER 147 292 ?   ?   ?   A . n 
A 1 148 HIS 148 293 ?   ?   ?   A . n 
A 1 149 HIS 149 294 ?   ?   ?   A . n 
A 1 150 HIS 150 295 ?   ?   ?   A . n 
A 1 151 HIS 151 296 ?   ?   ?   A . n 
A 1 152 HIS 152 297 ?   ?   ?   A . n 
A 1 153 HIS 153 298 ?   ?   ?   A . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 A2G ? ? A2G ? ? 'SUBJECT OF INVESTIGATION' ? 
2 NGA ? ? NGA ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
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 CA  1   1001 1001 CA  CA  A . 
C 2 CA  1   1002 1002 CA  CA  A . 
D 2 CA  1   1003 1003 CA  CA  A . 
E 3 GOL 1   1004 1101 GOL GOL A . 
F 4 A2G 1   1005 1201 A2G A2G A . 
G 5 NGA 1   1006 1202 NGA NGA A . 
H 6 HOH 1   1101 215  HOH HOH A . 
H 6 HOH 2   1102 106  HOH HOH A . 
H 6 HOH 3   1103 211  HOH HOH A . 
H 6 HOH 4   1104 183  HOH HOH A . 
H 6 HOH 5   1105 29   HOH HOH A . 
H 6 HOH 6   1106 85   HOH HOH A . 
H 6 HOH 7   1107 123  HOH HOH A . 
H 6 HOH 8   1108 137  HOH HOH A . 
H 6 HOH 9   1109 122  HOH HOH A . 
H 6 HOH 10  1110 182  HOH HOH A . 
H 6 HOH 11  1111 78   HOH HOH A . 
H 6 HOH 12  1112 112  HOH HOH A . 
H 6 HOH 13  1113 87   HOH HOH A . 
H 6 HOH 14  1114 134  HOH HOH A . 
H 6 HOH 15  1115 21   HOH HOH A . 
H 6 HOH 16  1116 121  HOH HOH A . 
H 6 HOH 17  1117 51   HOH HOH A . 
H 6 HOH 18  1118 172  HOH HOH A . 
H 6 HOH 19  1119 81   HOH HOH A . 
H 6 HOH 20  1120 3    HOH HOH A . 
H 6 HOH 21  1121 136  HOH HOH A . 
H 6 HOH 22  1122 162  HOH HOH A . 
H 6 HOH 23  1123 12   HOH HOH A . 
H 6 HOH 24  1124 62   HOH HOH A . 
H 6 HOH 25  1125 84   HOH HOH A . 
H 6 HOH 26  1126 105  HOH HOH A . 
H 6 HOH 27  1127 144  HOH HOH A . 
H 6 HOH 28  1128 19   HOH HOH A . 
H 6 HOH 29  1129 140  HOH HOH A . 
H 6 HOH 30  1130 74   HOH HOH A . 
H 6 HOH 31  1131 124  HOH HOH A . 
H 6 HOH 32  1132 173  HOH HOH A . 
H 6 HOH 33  1133 14   HOH HOH A . 
H 6 HOH 34  1134 98   HOH HOH A . 
H 6 HOH 35  1135 49   HOH HOH A . 
H 6 HOH 36  1136 91   HOH HOH A . 
H 6 HOH 37  1137 68   HOH HOH A . 
H 6 HOH 38  1138 54   HOH HOH A . 
H 6 HOH 39  1139 129  HOH HOH A . 
H 6 HOH 40  1140 32   HOH HOH A . 
H 6 HOH 41  1141 163  HOH HOH A . 
H 6 HOH 42  1142 57   HOH HOH A . 
H 6 HOH 43  1143 5    HOH HOH A . 
H 6 HOH 44  1144 216  HOH HOH A . 
H 6 HOH 45  1145 18   HOH HOH A . 
H 6 HOH 46  1146 113  HOH HOH A . 
H 6 HOH 47  1147 181  HOH HOH A . 
H 6 HOH 48  1148 79   HOH HOH A . 
H 6 HOH 49  1149 97   HOH HOH A . 
H 6 HOH 50  1150 48   HOH HOH A . 
H 6 HOH 51  1151 142  HOH HOH A . 
H 6 HOH 52  1152 146  HOH HOH A . 
H 6 HOH 53  1153 165  HOH HOH A . 
H 6 HOH 54  1154 13   HOH HOH A . 
H 6 HOH 55  1155 30   HOH HOH A . 
H 6 HOH 56  1156 1    HOH HOH A . 
H 6 HOH 57  1157 212  HOH HOH A . 
H 6 HOH 58  1158 110  HOH HOH A . 
H 6 HOH 59  1159 64   HOH HOH A . 
H 6 HOH 60  1160 180  HOH HOH A . 
H 6 HOH 61  1161 210  HOH HOH A . 
H 6 HOH 62  1162 61   HOH HOH A . 
H 6 HOH 63  1163 75   HOH HOH A . 
H 6 HOH 64  1164 77   HOH HOH A . 
H 6 HOH 65  1165 70   HOH HOH A . 
H 6 HOH 66  1166 138  HOH HOH A . 
H 6 HOH 67  1167 35   HOH HOH A . 
H 6 HOH 68  1168 42   HOH HOH A . 
H 6 HOH 69  1169 38   HOH HOH A . 
H 6 HOH 70  1170 214  HOH HOH A . 
H 6 HOH 71  1171 4    HOH HOH A . 
H 6 HOH 72  1172 10   HOH HOH A . 
H 6 HOH 73  1173 39   HOH HOH A . 
H 6 HOH 74  1174 8    HOH HOH A . 
H 6 HOH 75  1175 107  HOH HOH A . 
H 6 HOH 76  1176 7    HOH HOH A . 
H 6 HOH 77  1177 52   HOH HOH A . 
H 6 HOH 78  1178 89   HOH HOH A . 
H 6 HOH 79  1179 31   HOH HOH A . 
H 6 HOH 80  1180 130  HOH HOH A . 
H 6 HOH 81  1181 43   HOH HOH A . 
H 6 HOH 82  1182 203  HOH HOH A . 
H 6 HOH 83  1183 17   HOH HOH A . 
H 6 HOH 84  1184 37   HOH HOH A . 
H 6 HOH 85  1185 160  HOH HOH A . 
H 6 HOH 86  1186 55   HOH HOH A . 
H 6 HOH 87  1187 25   HOH HOH A . 
H 6 HOH 88  1188 24   HOH HOH A . 
H 6 HOH 89  1189 41   HOH HOH A . 
H 6 HOH 90  1190 6    HOH HOH A . 
H 6 HOH 91  1191 199  HOH HOH A . 
H 6 HOH 92  1192 45   HOH HOH A . 
H 6 HOH 93  1193 33   HOH HOH A . 
H 6 HOH 94  1194 125  HOH HOH A . 
H 6 HOH 95  1195 103  HOH HOH A . 
H 6 HOH 96  1196 132  HOH HOH A . 
H 6 HOH 97  1197 114  HOH HOH A . 
H 6 HOH 98  1198 20   HOH HOH A . 
H 6 HOH 99  1199 94   HOH HOH A . 
H 6 HOH 100 1200 157  HOH HOH A . 
H 6 HOH 101 1201 71   HOH HOH A . 
H 6 HOH 102 1202 109  HOH HOH A . 
H 6 HOH 103 1203 159  HOH HOH A . 
H 6 HOH 104 1204 135  HOH HOH A . 
H 6 HOH 105 1205 23   HOH HOH A . 
H 6 HOH 106 1206 58   HOH HOH A . 
H 6 HOH 107 1207 188  HOH HOH A . 
H 6 HOH 108 1208 66   HOH HOH A . 
H 6 HOH 109 1209 176  HOH HOH A . 
H 6 HOH 110 1210 158  HOH HOH A . 
H 6 HOH 111 1211 34   HOH HOH A . 
H 6 HOH 112 1212 174  HOH HOH A . 
H 6 HOH 113 1213 53   HOH HOH A . 
H 6 HOH 114 1214 101  HOH HOH A . 
H 6 HOH 115 1215 2    HOH HOH A . 
H 6 HOH 116 1216 56   HOH HOH A . 
H 6 HOH 117 1217 185  HOH HOH A . 
H 6 HOH 118 1218 171  HOH HOH A . 
H 6 HOH 119 1219 44   HOH HOH A . 
H 6 HOH 120 1220 47   HOH HOH A . 
H 6 HOH 121 1221 72   HOH HOH A . 
H 6 HOH 122 1222 90   HOH HOH A . 
H 6 HOH 123 1223 63   HOH HOH A . 
H 6 HOH 124 1224 192  HOH HOH A . 
H 6 HOH 125 1225 16   HOH HOH A . 
H 6 HOH 126 1226 126  HOH HOH A . 
H 6 HOH 127 1227 80   HOH HOH A . 
H 6 HOH 128 1228 147  HOH HOH A . 
H 6 HOH 129 1229 213  HOH HOH A . 
H 6 HOH 130 1230 86   HOH HOH A . 
H 6 HOH 131 1231 194  HOH HOH A . 
H 6 HOH 132 1232 179  HOH HOH A . 
H 6 HOH 133 1233 59   HOH HOH A . 
H 6 HOH 134 1234 27   HOH HOH A . 
H 6 HOH 135 1235 22   HOH HOH A . 
H 6 HOH 136 1236 141  HOH HOH A . 
H 6 HOH 137 1237 40   HOH HOH A . 
H 6 HOH 138 1238 117  HOH HOH A . 
H 6 HOH 139 1239 69   HOH HOH A . 
H 6 HOH 140 1240 150  HOH HOH A . 
H 6 HOH 141 1241 190  HOH HOH A . 
H 6 HOH 142 1242 151  HOH HOH A . 
H 6 HOH 143 1243 73   HOH HOH A . 
H 6 HOH 144 1244 102  HOH HOH A . 
H 6 HOH 145 1245 104  HOH HOH A . 
H 6 HOH 146 1246 36   HOH HOH A . 
H 6 HOH 147 1247 206  HOH HOH A . 
H 6 HOH 148 1248 189  HOH HOH A . 
H 6 HOH 149 1249 108  HOH HOH A . 
H 6 HOH 150 1250 46   HOH HOH A . 
H 6 HOH 151 1251 184  HOH HOH A . 
H 6 HOH 152 1252 153  HOH HOH A . 
H 6 HOH 153 1253 161  HOH HOH A . 
H 6 HOH 154 1254 187  HOH HOH A . 
H 6 HOH 155 1255 60   HOH HOH A . 
H 6 HOH 156 1256 82   HOH HOH A . 
H 6 HOH 157 1257 111  HOH HOH A . 
H 6 HOH 158 1258 9    HOH HOH A . 
H 6 HOH 159 1259 26   HOH HOH A . 
H 6 HOH 160 1260 205  HOH HOH A . 
H 6 HOH 161 1261 155  HOH HOH A . 
H 6 HOH 162 1262 96   HOH HOH A . 
H 6 HOH 163 1263 166  HOH HOH A . 
H 6 HOH 164 1264 131  HOH HOH A . 
H 6 HOH 165 1265 156  HOH HOH A . 
H 6 HOH 166 1266 149  HOH HOH A . 
H 6 HOH 167 1267 204  HOH HOH A . 
H 6 HOH 168 1268 197  HOH HOH A . 
H 6 HOH 169 1269 168  HOH HOH A . 
H 6 HOH 170 1270 65   HOH HOH A . 
H 6 HOH 171 1271 201  HOH HOH A . 
H 6 HOH 172 1272 148  HOH HOH A . 
H 6 HOH 173 1273 83   HOH HOH A . 
H 6 HOH 174 1274 209  HOH HOH A . 
H 6 HOH 175 1275 15   HOH HOH A . 
H 6 HOH 176 1276 99   HOH HOH A . 
H 6 HOH 177 1277 133  HOH HOH A . 
H 6 HOH 178 1278 119  HOH HOH A . 
H 6 HOH 179 1279 191  HOH HOH A . 
H 6 HOH 180 1280 88   HOH HOH A . 
H 6 HOH 181 1281 127  HOH HOH A . 
H 6 HOH 182 1282 186  HOH HOH A . 
H 6 HOH 183 1283 50   HOH HOH A . 
H 6 HOH 184 1284 170  HOH HOH A . 
H 6 HOH 185 1285 152  HOH HOH A . 
H 6 HOH 186 1286 128  HOH HOH A . 
H 6 HOH 187 1287 11   HOH HOH A . 
H 6 HOH 188 1288 198  HOH HOH A . 
H 6 HOH 189 1289 196  HOH HOH A . 
H 6 HOH 190 1290 202  HOH HOH A . 
H 6 HOH 191 1291 207  HOH HOH A . 
H 6 HOH 192 1292 118  HOH HOH A . 
H 6 HOH 193 1293 178  HOH HOH A . 
H 6 HOH 194 1294 177  HOH HOH A . 
H 6 HOH 195 1295 143  HOH HOH A . 
H 6 HOH 196 1296 169  HOH HOH A . 
H 6 HOH 197 1297 145  HOH HOH A . 
H 6 HOH 198 1298 28   HOH HOH A . 
H 6 HOH 199 1299 76   HOH HOH A . 
H 6 HOH 200 1300 200  HOH HOH A . 
H 6 HOH 201 1301 95   HOH HOH A . 
H 6 HOH 202 1302 93   HOH HOH A . 
H 6 HOH 203 1303 92   HOH HOH A . 
H 6 HOH 204 1304 67   HOH HOH A . 
H 6 HOH 205 1305 100  HOH HOH A . 
H 6 HOH 206 1306 139  HOH HOH A . 
H 6 HOH 207 1307 120  HOH HOH A . 
H 6 HOH 208 1308 195  HOH HOH A . 
H 6 HOH 209 1309 164  HOH HOH A . 
H 6 HOH 210 1310 154  HOH HOH A . 
H 6 HOH 211 1311 175  HOH HOH A . 
H 6 HOH 212 1312 116  HOH HOH A . 
H 6 HOH 213 1313 193  HOH HOH A . 
H 6 HOH 214 1314 115  HOH HOH A . 
H 6 HOH 215 1315 167  HOH HOH A . 
H 6 HOH 216 1316 208  HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? BUSTER    ? ? ? '2.11.8 (20-OCT-2021)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoPROC  ? ? ? .                      2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS       ? ? ? 'Jun 1, 2017'          3 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? autoPROC  ? ? ? 1.1.7                  4 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless   ? ? ? .                      5 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? STARANISO ? ? ? .                      6 
? phasing          ? ? ? ? ? ? ? ? ? ? ? BUSTER    ? ? ? .                      7 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   91.89 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9G76 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     114.082 
_cell.length_a_esd                 ? 
_cell.length_b                     32.641 
_cell.length_b_esd                 ? 
_cell.length_c                     40.702 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9G76 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                5 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'C 1 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9G76 
_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             2.11 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          41.59 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;PROTEIN BUFFER: 20 MM TRIS-HCL (PH 7.4), 25 MM CACL2. RESERVOIR: 100 MM TRIS-HCL (PH 7.5), 28% PEG4000, PH 7.50, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2017-12-13 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.999910 
_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                        'SLS BEAMLINE X06SA' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.999910 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   X06SA 
_diffrn_source.pdbx_synchrotron_site       SLS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9G76 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.199 
_reflns.d_resolution_low                               40.68 
_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                                     27219 
_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                           57.6 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.6 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.087 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                0.087 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.199 
_reflns_shell.d_res_low                                     1.357 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.6 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1361 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               3.1 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          9.3 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.164 
_reflns_shell.pdbx_Rsym_value                               1.164 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -0.36640 
_refine.aniso_B[1][2]                            0.00000 
_refine.aniso_B[1][3]                            -0.48250 
_refine.aniso_B[2][2]                            -0.01450 
_refine.aniso_B[2][3]                            0.00000 
_refine.aniso_B[3][3]                            0.38100 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               17.97 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.950 
_refine.correlation_coeff_Fo_to_Fc_free          0.932 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9G76 
_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                            1.199 
_refine.ls_d_res_low                             40.68 
_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                     27219 
_refine.ls_number_reflns_R_free                  1421 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    57.6 
_refine.ls_percent_reflns_R_free                 5.220 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2004 
_refine.ls_R_factor_R_free                       0.2334 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1987 
_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.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          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                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             ? 
_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   0.076 
_refine.pdbx_overall_SU_R_free_Blow_DPI          0.081 
_refine.pdbx_overall_SU_R_Blow_DPI               0.079 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            ? 
_refine.overall_SU_R_Cruickshank_DPI             0.072 
_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_analyze.entry_id                        9G76 
_refine_analyze.pdbx_refine_id                  'X-RAY DIFFRACTION' 
_refine_analyze.Luzzati_coordinate_error_free   ? 
_refine_analyze.Luzzati_coordinate_error_obs    0.19 
_refine_analyze.Luzzati_d_res_low_free          ? 
_refine_analyze.Luzzati_d_res_low_obs           ? 
_refine_analyze.Luzzati_sigma_a_free            ? 
_refine_analyze.Luzzati_sigma_a_free_details    ? 
_refine_analyze.Luzzati_sigma_a_obs             ? 
_refine_analyze.Luzzati_sigma_a_obs_details     ? 
_refine_analyze.number_disordered_residues      ? 
_refine_analyze.occupancy_sum_hydrogen          ? 
_refine_analyze.occupancy_sum_non_hydrogen      ? 
_refine_analyze.RG_d_res_high                   ? 
_refine_analyze.RG_d_res_low                    ? 
_refine_analyze.RG_free                         ? 
_refine_analyze.RG_work                         ? 
_refine_analyze.RG_free_work_ratio              ? 
_refine_analyze.pdbx_Luzzati_d_res_high_obs     ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.199 
_refine_hist.d_res_low                        40.68 
_refine_hist.number_atoms_solvent             216 
_refine_hist.number_atoms_total               1333 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1078 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         39 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
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' ? 0.008 ? 1230 ? t_bond_d                  2.00  HARMONIC     
'X-RAY DIFFRACTION' ? 0.88  ? 1694 ? t_angle_deg               2.00  HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? 414  ? t_dihedral_angle_d        2.00  SINUSOIDAL   
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_incorr_chiral_ct        ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_pseud_angle             ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_trig_c_planes           ?     ?            
'X-RAY DIFFRACTION' ? ?     ? 217  ? t_gen_planes              5.00  HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? 1230 ? t_it                      10.00 HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_nbd                     ?     ?            
'X-RAY DIFFRACTION' ? 4.33  ? ?    ? t_omega_torsion           ?     ?            
'X-RAY DIFFRACTION' ? 17.56 ? ?    ? t_other_torsion           ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_improper_torsion        ?     ?            
'X-RAY DIFFRACTION' ? ?     ? 141  ? t_chiral_improper_torsion 5.00  SEMIHARMONIC 
'X-RAY DIFFRACTION' ? ?     ? 6    ? t_sum_occupancies         1.00  HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_utility_distance        ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_utility_angle           ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_utility_torsion         ?     ?            
'X-RAY DIFFRACTION' ? ?     ? 1347 ? t_ideal_dist_contact      4.00  SEMIHARMONIC 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.20 
_refine_ls_shell.d_res_low                        1.30 
_refine_ls_shell.number_reflns_all                545 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             ? 
_refine_ls_shell.number_reflns_R_work             516 
_refine_ls_shell.percent_reflns_obs               5.57 
_refine_ls_shell.percent_reflns_R_free            5.32 
_refine_ls_shell.R_factor_all                     0.2861 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.2882 
_refine_ls_shell.redundancy_reflns_all            ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.wR_factor_all                    ? 
_refine_ls_shell.wR_factor_obs                    ? 
_refine_ls_shell.wR_factor_R_free                 ? 
_refine_ls_shell.wR_factor_R_work                 ? 
_refine_ls_shell.pdbx_R_complete                  ? 
_refine_ls_shell.pdbx_total_number_of_bins_used   51 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
_refine_ls_shell.R_factor_R_free                  0.2502 
# 
_struct.entry_id                     9G76 
_struct.title                        'Crystal structure of ASGPR with bound GalNAc' 
_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        9G76 
_struct_keywords.text            
'ASIALO GLYCOPROTEIN RECEPTOR, SUGAR BINDING, NATURAL LIGAND COMPLEX, siRNA targeting, SUGAR BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'SUGAR BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 2 ? 
E N N 3 ? 
F N N 4 ? 
G N N 5 ? 
H N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    ASGR1_HUMAN 
_struct_ref.pdbx_db_accession          P07306 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;GSERTCCPVNWVEHERSCYWFSRSGKAWADADNYCRLEDAHLVVVTSWEEQKFVQHHIGPVNTWMGLHDQNGPWKWVDGT
DYETGFKNWRPEQPDDWYGHGLGGGEDCAHFTDDGRWNDDVCQRPYRWVCETELDKASQEPPLL
;
_struct_ref.pdbx_align_begin           148 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9G76 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 2 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 145 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P07306 
_struct_ref_seq.db_align_beg                  148 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  291 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       147 
_struct_ref_seq.pdbx_auth_seq_align_end       290 
# 
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 9G76 MET A 1   ? UNP P07306 ? ? 'initiating methionine' 146 1 
1 9G76 GLY A 146 ? UNP P07306 ? ? 'expression tag'        291 2 
1 9G76 SER A 147 ? UNP P07306 ? ? 'expression tag'        292 3 
1 9G76 HIS A 148 ? UNP P07306 ? ? 'expression tag'        293 4 
1 9G76 HIS A 149 ? UNP P07306 ? ? 'expression tag'        294 5 
1 9G76 HIS A 150 ? UNP P07306 ? ? 'expression tag'        295 6 
1 9G76 HIS A 151 ? UNP P07306 ? ? 'expression tag'        296 7 
1 9G76 HIS A 152 ? UNP P07306 ? ? 'expression tag'        297 8 
1 9G76 HIS A 153 ? UNP P07306 ? ? 'expression tag'        298 9 
# 
_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,E,F,G,H 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                'no experiments were done' 
# 
_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]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ALA A 28 ? GLU A 39 ? ALA A 173 GLU A 184 1 ? 12 
HELX_P HELX_P2 AA2 SER A 48 ? GLY A 60 ? SER A 193 GLY A 205 1 ? 13 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1  disulf ? ? A CYS 8   SG  ? ? ? 1_555 A CYS 19  SG ? ? A CYS 153  A CYS 164  1_555 ? ? ? ? ? ? ? 2.045 ? ? 
disulf2  disulf ? ? A CYS 36  SG  ? ? ? 1_555 A CYS 131 SG ? ? A CYS 181  A CYS 276  1_555 ? ? ? ? ? ? ? 2.092 ? ? 
disulf3  disulf ? ? A CYS 109 SG  ? ? ? 1_555 A CYS 123 SG ? ? A CYS 254  A CYS 268  1_555 ? ? ? ? ? ? ? 2.020 ? ? 
metalc1  metalc ? ? A VAL 45  O   ? ? ? 1_555 D CA  .   CA ? ? A VAL 190  A CA  1003 1_555 ? ? ? ? ? ? ? 2.367 ? ? 
metalc2  metalc ? ? A GLU 51  OE1 ? ? ? 1_555 D CA  .   CA ? ? A GLU 196  A CA  1003 1_555 ? ? ? ? ? ? ? 2.385 ? ? 
metalc3  metalc ? ? A GLU 51  OE2 ? ? ? 1_555 D CA  .   CA ? ? A GLU 196  A CA  1003 1_555 ? ? ? ? ? ? ? 2.942 ? ? 
metalc4  metalc ? ? A ASP 70  OD1 ? ? ? 1_555 B CA  .   CA ? ? A ASP 215  A CA  1001 1_555 ? ? ? ? ? ? ? 2.599 ? ? 
metalc5  metalc ? ? A ASP 70  OD2 ? ? ? 1_555 B CA  .   CA ? ? A ASP 215  A CA  1001 1_555 ? ? ? ? ? ? ? 2.434 ? ? 
metalc6  metalc ? ? A GLN 94  OE1 ? ? ? 1_555 C CA  .   CA ? ? A GLN 239  A CA  1002 1_555 ? ? ? ? ? ? ? 2.502 ? ? 
metalc7  metalc ? ? A ASP 96  OD1 ? ? ? 1_555 C CA  .   CA ? ? A ASP 241  A CA  1002 1_555 ? ? ? ? ? ? ? 2.442 ? ? 
metalc8  metalc ? ? A ASP 97  OD1 ? ? ? 1_555 B CA  .   CA ? ? A ASP 242  A CA  1001 1_555 ? ? ? ? ? ? ? 2.428 ? ? 
metalc9  metalc ? ? A GLU 107 O   ? ? ? 1_555 B CA  .   CA ? ? A GLU 252  A CA  1001 1_555 ? ? ? ? ? ? ? 2.425 ? ? 
metalc10 metalc ? ? A GLU 107 OE2 ? ? ? 1_555 C CA  .   CA ? ? A GLU 252  A CA  1002 1_555 ? ? ? ? ? ? ? 2.335 ? ? 
metalc11 metalc ? ? A ASP 108 OD1 ? ? ? 1_555 B CA  .   CA ? ? A ASP 253  A CA  1001 1_555 ? ? ? ? ? ? ? 2.414 ? ? 
metalc12 metalc ? ? A ASN 119 OD1 ? ? ? 1_555 C CA  .   CA ? ? A ASN 264  A CA  1002 1_555 ? ? ? ? ? ? ? 2.492 ? ? 
metalc13 metalc ? ? A ASP 120 O   ? ? ? 1_555 C CA  .   CA ? ? A ASP 265  A CA  1002 1_555 ? ? ? ? ? ? ? 2.494 ? ? 
metalc14 metalc ? ? A ASP 120 OD1 ? ? ? 1_555 C CA  .   CA ? ? A ASP 265  A CA  1002 1_555 ? ? ? ? ? ? ? 2.377 ? ? 
metalc15 metalc ? ? A GLU 132 OE1 ? ? ? 1_555 D CA  .   CA ? ? A GLU 277  A CA  1003 1_555 ? ? ? ? ? ? ? 2.662 ? ? 
metalc16 metalc ? ? A GLU 132 OE2 ? ? ? 1_555 D CA  .   CA ? ? A GLU 277  A CA  1003 1_555 ? ? ? ? ? ? ? 2.356 ? ? 
metalc17 metalc ? ? B CA  .   CA  ? ? ? 1_555 H HOH .   O  ? ? A CA  1001 A HOH 1107 1_555 ? ? ? ? ? ? ? 2.309 ? ? 
metalc18 metalc ? ? B CA  .   CA  ? ? ? 1_555 H HOH .   O  ? ? A CA  1001 A HOH 1116 1_555 ? ? ? ? ? ? ? 2.435 ? ? 
metalc19 metalc ? ? C CA  .   CA  ? ? ? 1_555 F A2G .   O3 A ? A CA  1002 A A2G 1005 1_555 ? ? ? ? ? ? ? 2.596 ? ? 
metalc20 metalc ? ? C CA  .   CA  ? ? ? 1_555 F A2G .   O4 A ? A CA  1002 A A2G 1005 1_555 ? ? ? ? ? ? ? 2.584 ? ? 
metalc21 metalc ? ? C CA  .   CA  ? ? ? 1_555 G NGA .   O3 B ? A CA  1002 A NGA 1006 1_555 ? ? ? ? ? ? ? 2.559 ? ? 
metalc22 metalc ? ? C CA  .   CA  ? ? ? 1_555 G NGA .   O4 B ? A CA  1002 A NGA 1006 1_555 ? ? ? ? ? ? ? 2.565 ? ? 
metalc23 metalc ? ? D CA  .   CA  ? ? ? 1_555 H HOH .   O  ? ? A CA  1003 A HOH 1131 1_555 ? ? ? ? ? ? ? 2.452 ? ? 
metalc24 metalc ? ? D CA  .   CA  ? ? ? 1_555 H HOH .   O  ? ? A CA  1003 A HOH 1194 1_555 ? ? ? ? ? ? ? 2.368 ? ? 
metalc25 metalc ? ? D CA  .   CA  ? ? ? 1_555 H HOH .   O  ? ? A CA  1003 A HOH 1226 1_555 ? ? ? ? ? ? ? 2.384 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  O   ? A VAL 45  ? A VAL 190  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 OE1 ? A GLU 51  ? A GLU 196  ? 1_555 85.5  ? 
2  O   ? A VAL 45  ? A VAL 190  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 OE2 ? A GLU 51  ? A GLU 196  ? 1_555 72.0  ? 
3  OE1 ? A GLU 51  ? A GLU 196  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 OE2 ? A GLU 51  ? A GLU 196  ? 1_555 47.6  ? 
4  O   ? A VAL 45  ? A VAL 190  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 OE1 ? A GLU 132 ? A GLU 277  ? 1_555 80.7  ? 
5  OE1 ? A GLU 51  ? A GLU 196  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 OE1 ? A GLU 132 ? A GLU 277  ? 1_555 88.6  ? 
6  OE2 ? A GLU 51  ? A GLU 196  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 OE1 ? A GLU 132 ? A GLU 277  ? 1_555 128.7 ? 
7  O   ? A VAL 45  ? A VAL 190  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 OE2 ? A GLU 132 ? A GLU 277  ? 1_555 129.9 ? 
8  OE1 ? A GLU 51  ? A GLU 196  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 OE2 ? A GLU 132 ? A GLU 277  ? 1_555 80.1  ? 
9  OE2 ? A GLU 51  ? A GLU 196  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 OE2 ? A GLU 132 ? A GLU 277  ? 1_555 124.2 ? 
10 OE1 ? A GLU 132 ? A GLU 277  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 OE2 ? A GLU 132 ? A GLU 277  ? 1_555 51.4  ? 
11 O   ? A VAL 45  ? A VAL 190  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1131 ? 1_555 104.8 ? 
12 OE1 ? A GLU 51  ? A GLU 196  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1131 ? 1_555 158.4 ? 
13 OE2 ? A GLU 51  ? A GLU 196  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1131 ? 1_555 153.5 ? 
14 OE1 ? A GLU 132 ? A GLU 277  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1131 ? 1_555 74.8  ? 
15 OE2 ? A GLU 132 ? A GLU 277  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1131 ? 1_555 78.8  ? 
16 O   ? A VAL 45  ? A VAL 190  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1194 ? 1_555 84.3  ? 
17 OE1 ? A GLU 51  ? A GLU 196  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1194 ? 1_555 129.6 ? 
18 OE2 ? A GLU 51  ? A GLU 196  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1194 ? 1_555 82.4  ? 
19 OE1 ? A GLU 132 ? A GLU 277  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1194 ? 1_555 137.5 ? 
20 OE2 ? A GLU 132 ? A GLU 277  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1194 ? 1_555 139.8 ? 
21 O   ? H HOH .   ? A HOH 1131 ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1194 ? 1_555 71.1  ? 
22 O   ? A VAL 45  ? A VAL 190  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1226 ? 1_555 148.5 ? 
23 OE1 ? A GLU 51  ? A GLU 196  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1226 ? 1_555 86.7  ? 
24 OE2 ? A GLU 51  ? A GLU 196  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1226 ? 1_555 80.3  ? 
25 OE1 ? A GLU 132 ? A GLU 277  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1226 ? 1_555 129.6 ? 
26 OE2 ? A GLU 132 ? A GLU 277  ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1226 ? 1_555 78.4  ? 
27 O   ? H HOH .   ? A HOH 1131 ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1226 ? 1_555 93.3  ? 
28 O   ? H HOH .   ? A HOH 1194 ? 1_555 CA ? D CA . ? A CA 1003 ? 1_555 O   ? H HOH .   ? A HOH 1226 ? 1_555 77.4  ? 
29 OD1 ? A ASP 70  ? A ASP 215  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 OD2 ? A ASP 70  ? A ASP 215  ? 1_555 51.5  ? 
30 OD1 ? A ASP 70  ? A ASP 215  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 OD1 ? A ASP 97  ? A ASP 242  ? 1_555 164.0 ? 
31 OD2 ? A ASP 70  ? A ASP 215  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 OD1 ? A ASP 97  ? A ASP 242  ? 1_555 144.2 ? 
32 OD1 ? A ASP 70  ? A ASP 215  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 O   ? A GLU 107 ? A GLU 252  ? 1_555 90.0  ? 
33 OD2 ? A ASP 70  ? A ASP 215  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 O   ? A GLU 107 ? A GLU 252  ? 1_555 125.3 ? 
34 OD1 ? A ASP 97  ? A ASP 242  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 O   ? A GLU 107 ? A GLU 252  ? 1_555 80.3  ? 
35 OD1 ? A ASP 70  ? A ASP 215  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 OD1 ? A ASP 108 ? A ASP 253  ? 1_555 76.7  ? 
36 OD2 ? A ASP 70  ? A ASP 215  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 OD1 ? A ASP 108 ? A ASP 253  ? 1_555 120.2 ? 
37 OD1 ? A ASP 97  ? A ASP 242  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 OD1 ? A ASP 108 ? A ASP 253  ? 1_555 88.4  ? 
38 O   ? A GLU 107 ? A GLU 252  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 OD1 ? A ASP 108 ? A ASP 253  ? 1_555 74.7  ? 
39 OD1 ? A ASP 70  ? A ASP 215  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 O   ? H HOH .   ? A HOH 1107 ? 1_555 100.9 ? 
40 OD2 ? A ASP 70  ? A ASP 215  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 O   ? H HOH .   ? A HOH 1107 ? 1_555 94.0  ? 
41 OD1 ? A ASP 97  ? A ASP 242  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 O   ? H HOH .   ? A HOH 1107 ? 1_555 77.8  ? 
42 O   ? A GLU 107 ? A GLU 252  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 O   ? H HOH .   ? A HOH 1107 ? 1_555 134.9 ? 
43 OD1 ? A ASP 108 ? A ASP 253  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 O   ? H HOH .   ? A HOH 1107 ? 1_555 65.8  ? 
44 OD1 ? A ASP 70  ? A ASP 215  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 O   ? H HOH .   ? A HOH 1116 ? 1_555 102.6 ? 
45 OD2 ? A ASP 70  ? A ASP 215  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 O   ? H HOH .   ? A HOH 1116 ? 1_555 80.0  ? 
46 OD1 ? A ASP 97  ? A ASP 242  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 O   ? H HOH .   ? A HOH 1116 ? 1_555 86.6  ? 
47 O   ? A GLU 107 ? A GLU 252  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 O   ? H HOH .   ? A HOH 1116 ? 1_555 72.0  ? 
48 OD1 ? A ASP 108 ? A ASP 253  ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 O   ? H HOH .   ? A HOH 1116 ? 1_555 146.7 ? 
49 O   ? H HOH .   ? A HOH 1107 ? 1_555 CA ? B CA . ? A CA 1001 ? 1_555 O   ? H HOH .   ? A HOH 1116 ? 1_555 144.0 ? 
50 OE1 ? A GLN 94  ? A GLN 239  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 OD1 ? A ASP 96  ? A ASP 241  ? 1_555 74.9  ? 
51 OE1 ? A GLN 94  ? A GLN 239  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 OE2 ? A GLU 107 ? A GLU 252  ? 1_555 149.1 ? 
52 OD1 ? A ASP 96  ? A ASP 241  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 OE2 ? A GLU 107 ? A GLU 252  ? 1_555 75.0  ? 
53 OE1 ? A GLN 94  ? A GLN 239  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 OD1 ? A ASN 119 ? A ASN 264  ? 1_555 67.1  ? 
54 OD1 ? A ASP 96  ? A ASP 241  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 OD1 ? A ASN 119 ? A ASN 264  ? 1_555 141.7 ? 
55 OE2 ? A GLU 107 ? A GLU 252  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 OD1 ? A ASN 119 ? A ASN 264  ? 1_555 143.3 ? 
56 OE1 ? A GLN 94  ? A GLN 239  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O   ? A ASP 120 ? A ASP 265  ? 1_555 128.3 ? 
57 OD1 ? A ASP 96  ? A ASP 241  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O   ? A ASP 120 ? A ASP 265  ? 1_555 137.5 ? 
58 OE2 ? A GLU 107 ? A GLU 252  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O   ? A ASP 120 ? A ASP 265  ? 1_555 73.0  ? 
59 OD1 ? A ASN 119 ? A ASN 264  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O   ? A ASP 120 ? A ASP 265  ? 1_555 74.5  ? 
60 OE1 ? A GLN 94  ? A GLN 239  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 OD1 ? A ASP 120 ? A ASP 265  ? 1_555 76.0  ? 
61 OD1 ? A ASP 96  ? A ASP 241  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 OD1 ? A ASP 120 ? A ASP 265  ? 1_555 81.7  ? 
62 OE2 ? A GLU 107 ? A GLU 252  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 OD1 ? A ASP 120 ? A ASP 265  ? 1_555 93.1  ? 
63 OD1 ? A ASN 119 ? A ASN 264  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 OD1 ? A ASP 120 ? A ASP 265  ? 1_555 93.3  ? 
64 O   ? A ASP 120 ? A ASP 265  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 OD1 ? A ASP 120 ? A ASP 265  ? 1_555 73.1  ? 
65 OE1 ? A GLN 94  ? A GLN 239  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O3  A F A2G .   ? A A2G 1005 ? 1_555 128.2 ? 
66 OD1 ? A ASP 96  ? A ASP 241  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O3  A F A2G .   ? A A2G 1005 ? 1_555 125.0 ? 
67 OE2 ? A GLU 107 ? A GLU 252  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O3  A F A2G .   ? A A2G 1005 ? 1_555 76.0  ? 
68 OD1 ? A ASN 119 ? A ASN 264  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O3  A F A2G .   ? A A2G 1005 ? 1_555 78.4  ? 
69 O   ? A ASP 120 ? A ASP 265  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O3  A F A2G .   ? A A2G 1005 ? 1_555 72.4  ? 
70 OD1 ? A ASP 120 ? A ASP 265  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O3  A F A2G .   ? A A2G 1005 ? 1_555 145.4 ? 
71 OE1 ? A GLN 94  ? A GLN 239  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  A F A2G .   ? A A2G 1005 ? 1_555 79.7  ? 
72 OD1 ? A ASP 96  ? A ASP 241  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  A F A2G .   ? A A2G 1005 ? 1_555 75.8  ? 
73 OE2 ? A GLU 107 ? A GLU 252  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  A F A2G .   ? A A2G 1005 ? 1_555 99.2  ? 
74 OD1 ? A ASN 119 ? A ASN 264  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  A F A2G .   ? A A2G 1005 ? 1_555 92.7  ? 
75 O   ? A ASP 120 ? A ASP 265  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  A F A2G .   ? A A2G 1005 ? 1_555 136.4 ? 
76 OD1 ? A ASP 120 ? A ASP 265  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  A F A2G .   ? A A2G 1005 ? 1_555 150.4 ? 
77 O3  A F A2G .   ? A A2G 1005 ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  A F A2G .   ? A A2G 1005 ? 1_555 64.2  ? 
78 OE1 ? A GLN 94  ? A GLN 239  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O3  B G NGA .   ? A NGA 1006 ? 1_555 128.0 ? 
79 OD1 ? A ASP 96  ? A ASP 241  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O3  B G NGA .   ? A NGA 1006 ? 1_555 125.3 ? 
80 OE2 ? A GLU 107 ? A GLU 252  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O3  B G NGA .   ? A NGA 1006 ? 1_555 76.3  ? 
81 OD1 ? A ASN 119 ? A ASN 264  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O3  B G NGA .   ? A NGA 1006 ? 1_555 78.0  ? 
82 O   ? A ASP 120 ? A ASP 265  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O3  B G NGA .   ? A NGA 1006 ? 1_555 72.3  ? 
83 OD1 ? A ASP 120 ? A ASP 265  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O3  B G NGA .   ? A NGA 1006 ? 1_555 145.4 ? 
84 O3  A F A2G .   ? A A2G 1005 ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O3  B G NGA .   ? A NGA 1006 ? 1_555 0.4   ? 
85 O4  A F A2G .   ? A A2G 1005 ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O3  B G NGA .   ? A NGA 1006 ? 1_555 64.2  ? 
86 OE1 ? A GLN 94  ? A GLN 239  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  B G NGA .   ? A NGA 1006 ? 1_555 79.8  ? 
87 OD1 ? A ASP 96  ? A ASP 241  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  B G NGA .   ? A NGA 1006 ? 1_555 75.7  ? 
88 OE2 ? A GLU 107 ? A GLU 252  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  B G NGA .   ? A NGA 1006 ? 1_555 99.1  ? 
89 OD1 ? A ASN 119 ? A ASN 264  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  B G NGA .   ? A NGA 1006 ? 1_555 92.8  ? 
90 O   ? A ASP 120 ? A ASP 265  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  B G NGA .   ? A NGA 1006 ? 1_555 136.4 ? 
91 OD1 ? A ASP 120 ? A ASP 265  ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  B G NGA .   ? A NGA 1006 ? 1_555 150.4 ? 
92 O3  A F A2G .   ? A A2G 1005 ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  B G NGA .   ? A NGA 1006 ? 1_555 64.2  ? 
93 O4  A F A2G .   ? A A2G 1005 ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  B G NGA .   ? A NGA 1006 ? 1_555 0.1   ? 
94 O3  B G NGA .   ? A NGA 1006 ? 1_555 CA ? C CA . ? A CA 1002 ? 1_555 O4  B G NGA .   ? A NGA 1006 ? 1_555 64.2  ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 8   ? CYS A 19  ? CYS A 153 ? 1_555 CYS A 164 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 36  ? CYS A 131 ? CYS A 181 ? 1_555 CYS A 276 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 109 ? CYS A 123 ? CYS A 254 ? 1_555 CYS A 268 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          GLN 
_struct_mon_prot_cis.label_seq_id           94 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           GLN 
_struct_mon_prot_cis.auth_seq_id            239 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    95 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     240 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -10.21 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 5 ? 
AA2 ? 5 ? 
# 
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 ? parallel      
AA1 4 5 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? parallel      
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 VAL A 13  ? HIS A 15  ? VAL A 158 HIS A 160 
AA1 2 SER A 18  ? PHE A 22  ? SER A 163 PHE A 167 
AA1 3 ARG A 128 ? GLU A 134 ? ARG A 273 GLU A 279 
AA1 4 THR A 64  ? HIS A 69  ? THR A 209 HIS A 214 
AA1 5 LYS A 76  ? TRP A 77  ? LYS A 221 TRP A 222 
AA2 1 HIS A 42  ? LEU A 43  ? HIS A 187 LEU A 188 
AA2 2 ARG A 128 ? GLU A 134 ? ARG A 273 GLU A 279 
AA2 3 THR A 64  ? HIS A 69  ? THR A 209 HIS A 214 
AA2 4 CYS A 109 ? PHE A 112 ? CYS A 254 PHE A 257 
AA2 5 TRP A 118 ? ASP A 121 ? TRP A 263 ASP A 266 
# 
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 N VAL A 13  ? N VAL A 158 O TYR A 20  ? O TYR A 165 
AA1 2 3 N CYS A 19  ? N CYS A 164 O THR A 133 ? O THR A 278 
AA1 3 4 O ARG A 128 ? O ARG A 273 N TRP A 65  ? N TRP A 210 
AA1 4 5 N HIS A 69  ? N HIS A 214 O LYS A 76  ? O LYS A 221 
AA2 1 2 N HIS A 42  ? N HIS A 187 O GLU A 132 ? O GLU A 277 
AA2 2 3 O ARG A 128 ? O ARG A 273 N TRP A 65  ? N TRP A 210 
AA2 3 4 N LEU A 68  ? N LEU A 213 O ALA A 110 ? O ALA A 255 
AA2 4 5 N CYS A 109 ? N CYS A 254 O ASP A 121 ? O ASP A 266 
# 
_pdbx_entry_details.entry_id                   9G76 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    1256 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    1275 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.67 
# 
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 1109 ? ? 1_555 O  A HOH 1109 ? ? 2_556 0.79 
2 1 O A GLY 218  ? ? 1_555 O3 A GOL 1004 ? ? 2_555 2.17 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 GLU A 161 ? A 61.85   -88.74 
2 1 ARG A 162 ? A -146.13 46.27  
3 1 ASN A 234 ? ? -142.92 43.86  
4 1 GLU A 238 ? ? 82.10   -1.42  
# 
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 1253 ? H HOH . 
2 1 A HOH 1281 ? H HOH . 
3 1 A HOH 1286 ? H HOH . 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 1315 ? 5.83 . 
2 1 O ? A HOH 1316 ? 6.59 . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET 146 ? A MET 1   
2  1 Y 1 A GLY 147 ? A GLY 2   
3  1 Y 1 A SER 148 ? A SER 3   
4  1 Y 1 A GLU 149 ? A GLU 4   
5  1 Y 1 A ARG 150 ? A ARG 5   
6  1 Y 1 A THR 151 ? A THR 6   
7  1 Y 1 A ASP 281 ? A ASP 136 
8  1 Y 1 A LYS 282 ? A LYS 137 
9  1 Y 1 A ALA 283 ? A ALA 138 
10 1 Y 1 A SER 284 ? A SER 139 
11 1 Y 1 A GLN 285 ? A GLN 140 
12 1 Y 1 A GLU 286 ? A GLU 141 
13 1 Y 1 A PRO 287 ? A PRO 142 
14 1 Y 1 A PRO 288 ? A PRO 143 
15 1 Y 1 A LEU 289 ? A LEU 144 
16 1 Y 1 A LEU 290 ? A LEU 145 
17 1 Y 1 A GLY 291 ? A GLY 146 
18 1 Y 1 A SER 292 ? A SER 147 
19 1 Y 1 A HIS 293 ? A HIS 148 
20 1 Y 1 A HIS 294 ? A HIS 149 
21 1 Y 1 A HIS 295 ? A HIS 150 
22 1 Y 1 A HIS 296 ? A HIS 151 
23 1 Y 1 A HIS 297 ? A HIS 152 
24 1 Y 1 A HIS 298 ? A HIS 153 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
A2G O5   O  N N 1   
A2G C1   C  N S 2   
A2G O1   O  N N 3   
A2G C2   C  N R 4   
A2G N2   N  N N 5   
A2G C3   C  N R 6   
A2G O3   O  N N 7   
A2G C4   C  N R 8   
A2G O4   O  N N 9   
A2G C5   C  N R 10  
A2G C6   C  N N 11  
A2G O6   O  N N 12  
A2G C7   C  N N 13  
A2G O7   O  N N 14  
A2G C8   C  N N 15  
A2G H1   H  N N 16  
A2G HO1  H  N N 17  
A2G H2   H  N N 18  
A2G HN2  H  N N 19  
A2G H3   H  N N 20  
A2G HO3  H  N N 21  
A2G H4   H  N N 22  
A2G HO4  H  N N 23  
A2G H5   H  N N 24  
A2G H61  H  N N 25  
A2G H81  H  N N 26  
A2G H82  H  N N 27  
A2G H83  H  N N 28  
A2G H62  H  N N 29  
A2G HO6  H  N N 30  
ALA N    N  N N 31  
ALA CA   C  N S 32  
ALA C    C  N N 33  
ALA O    O  N N 34  
ALA CB   C  N N 35  
ALA OXT  O  N N 36  
ALA H    H  N N 37  
ALA H2   H  N N 38  
ALA HA   H  N N 39  
ALA HB1  H  N N 40  
ALA HB2  H  N N 41  
ALA HB3  H  N N 42  
ALA HXT  H  N N 43  
ARG N    N  N N 44  
ARG CA   C  N S 45  
ARG C    C  N N 46  
ARG O    O  N N 47  
ARG CB   C  N N 48  
ARG CG   C  N N 49  
ARG CD   C  N N 50  
ARG NE   N  N N 51  
ARG CZ   C  N N 52  
ARG NH1  N  N N 53  
ARG NH2  N  N N 54  
ARG OXT  O  N N 55  
ARG H    H  N N 56  
ARG H2   H  N N 57  
ARG HA   H  N N 58  
ARG HB2  H  N N 59  
ARG HB3  H  N N 60  
ARG HG2  H  N N 61  
ARG HG3  H  N N 62  
ARG HD2  H  N N 63  
ARG HD3  H  N N 64  
ARG HE   H  N N 65  
ARG HH11 H  N N 66  
ARG HH12 H  N N 67  
ARG HH21 H  N N 68  
ARG HH22 H  N N 69  
ARG HXT  H  N N 70  
ASN N    N  N N 71  
ASN CA   C  N S 72  
ASN C    C  N N 73  
ASN O    O  N N 74  
ASN CB   C  N N 75  
ASN CG   C  N N 76  
ASN OD1  O  N N 77  
ASN ND2  N  N N 78  
ASN OXT  O  N N 79  
ASN H    H  N N 80  
ASN H2   H  N N 81  
ASN HA   H  N N 82  
ASN HB2  H  N N 83  
ASN HB3  H  N N 84  
ASN HD21 H  N N 85  
ASN HD22 H  N N 86  
ASN HXT  H  N N 87  
ASP N    N  N N 88  
ASP CA   C  N S 89  
ASP C    C  N N 90  
ASP O    O  N N 91  
ASP CB   C  N N 92  
ASP CG   C  N N 93  
ASP OD1  O  N N 94  
ASP OD2  O  N N 95  
ASP OXT  O  N N 96  
ASP H    H  N N 97  
ASP H2   H  N N 98  
ASP HA   H  N N 99  
ASP HB2  H  N N 100 
ASP HB3  H  N N 101 
ASP HD2  H  N N 102 
ASP HXT  H  N N 103 
CA  CA   CA N N 104 
CYS N    N  N N 105 
CYS CA   C  N R 106 
CYS C    C  N N 107 
CYS O    O  N N 108 
CYS CB   C  N N 109 
CYS SG   S  N N 110 
CYS OXT  O  N N 111 
CYS H    H  N N 112 
CYS H2   H  N N 113 
CYS HA   H  N N 114 
CYS HB2  H  N N 115 
CYS HB3  H  N N 116 
CYS HG   H  N N 117 
CYS HXT  H  N N 118 
GLN N    N  N N 119 
GLN CA   C  N S 120 
GLN C    C  N N 121 
GLN O    O  N N 122 
GLN CB   C  N N 123 
GLN CG   C  N N 124 
GLN CD   C  N N 125 
GLN OE1  O  N N 126 
GLN NE2  N  N N 127 
GLN OXT  O  N N 128 
GLN H    H  N N 129 
GLN H2   H  N N 130 
GLN HA   H  N N 131 
GLN HB2  H  N N 132 
GLN HB3  H  N N 133 
GLN HG2  H  N N 134 
GLN HG3  H  N N 135 
GLN HE21 H  N N 136 
GLN HE22 H  N N 137 
GLN HXT  H  N N 138 
GLU N    N  N N 139 
GLU CA   C  N S 140 
GLU C    C  N N 141 
GLU O    O  N N 142 
GLU CB   C  N N 143 
GLU CG   C  N N 144 
GLU CD   C  N N 145 
GLU OE1  O  N N 146 
GLU OE2  O  N N 147 
GLU OXT  O  N N 148 
GLU H    H  N N 149 
GLU H2   H  N N 150 
GLU HA   H  N N 151 
GLU HB2  H  N N 152 
GLU HB3  H  N N 153 
GLU HG2  H  N N 154 
GLU HG3  H  N N 155 
GLU HE2  H  N N 156 
GLU HXT  H  N N 157 
GLY N    N  N N 158 
GLY CA   C  N N 159 
GLY C    C  N N 160 
GLY O    O  N N 161 
GLY OXT  O  N N 162 
GLY H    H  N N 163 
GLY H2   H  N N 164 
GLY HA2  H  N N 165 
GLY HA3  H  N N 166 
GLY HXT  H  N N 167 
GOL C1   C  N N 168 
GOL O1   O  N N 169 
GOL C2   C  N N 170 
GOL O2   O  N N 171 
GOL C3   C  N N 172 
GOL O3   O  N N 173 
GOL H11  H  N N 174 
GOL H12  H  N N 175 
GOL HO1  H  N N 176 
GOL H2   H  N N 177 
GOL HO2  H  N N 178 
GOL H31  H  N N 179 
GOL H32  H  N N 180 
GOL HO3  H  N N 181 
HIS N    N  N N 182 
HIS CA   C  N S 183 
HIS C    C  N N 184 
HIS O    O  N N 185 
HIS CB   C  N N 186 
HIS CG   C  Y N 187 
HIS ND1  N  Y N 188 
HIS CD2  C  Y N 189 
HIS CE1  C  Y N 190 
HIS NE2  N  Y N 191 
HIS OXT  O  N N 192 
HIS H    H  N N 193 
HIS H2   H  N N 194 
HIS HA   H  N N 195 
HIS HB2  H  N N 196 
HIS HB3  H  N N 197 
HIS HD1  H  N N 198 
HIS HD2  H  N N 199 
HIS HE1  H  N N 200 
HIS HE2  H  N N 201 
HIS HXT  H  N N 202 
HOH O    O  N N 203 
HOH H1   H  N N 204 
HOH H2   H  N N 205 
ILE N    N  N N 206 
ILE CA   C  N S 207 
ILE C    C  N N 208 
ILE O    O  N N 209 
ILE CB   C  N S 210 
ILE CG1  C  N N 211 
ILE CG2  C  N N 212 
ILE CD1  C  N N 213 
ILE OXT  O  N N 214 
ILE H    H  N N 215 
ILE H2   H  N N 216 
ILE HA   H  N N 217 
ILE HB   H  N N 218 
ILE HG12 H  N N 219 
ILE HG13 H  N N 220 
ILE HG21 H  N N 221 
ILE HG22 H  N N 222 
ILE HG23 H  N N 223 
ILE HD11 H  N N 224 
ILE HD12 H  N N 225 
ILE HD13 H  N N 226 
ILE HXT  H  N N 227 
LEU N    N  N N 228 
LEU CA   C  N S 229 
LEU C    C  N N 230 
LEU O    O  N N 231 
LEU CB   C  N N 232 
LEU CG   C  N N 233 
LEU CD1  C  N N 234 
LEU CD2  C  N N 235 
LEU OXT  O  N N 236 
LEU H    H  N N 237 
LEU H2   H  N N 238 
LEU HA   H  N N 239 
LEU HB2  H  N N 240 
LEU HB3  H  N N 241 
LEU HG   H  N N 242 
LEU HD11 H  N N 243 
LEU HD12 H  N N 244 
LEU HD13 H  N N 245 
LEU HD21 H  N N 246 
LEU HD22 H  N N 247 
LEU HD23 H  N N 248 
LEU HXT  H  N N 249 
LYS N    N  N N 250 
LYS CA   C  N S 251 
LYS C    C  N N 252 
LYS O    O  N N 253 
LYS CB   C  N N 254 
LYS CG   C  N N 255 
LYS CD   C  N N 256 
LYS CE   C  N N 257 
LYS NZ   N  N N 258 
LYS OXT  O  N N 259 
LYS H    H  N N 260 
LYS H2   H  N N 261 
LYS HA   H  N N 262 
LYS HB2  H  N N 263 
LYS HB3  H  N N 264 
LYS HG2  H  N N 265 
LYS HG3  H  N N 266 
LYS HD2  H  N N 267 
LYS HD3  H  N N 268 
LYS HE2  H  N N 269 
LYS HE3  H  N N 270 
LYS HZ1  H  N N 271 
LYS HZ2  H  N N 272 
LYS HZ3  H  N N 273 
LYS HXT  H  N N 274 
MET N    N  N N 275 
MET CA   C  N S 276 
MET C    C  N N 277 
MET O    O  N N 278 
MET CB   C  N N 279 
MET CG   C  N N 280 
MET SD   S  N N 281 
MET CE   C  N N 282 
MET OXT  O  N N 283 
MET H    H  N N 284 
MET H2   H  N N 285 
MET HA   H  N N 286 
MET HB2  H  N N 287 
MET HB3  H  N N 288 
MET HG2  H  N N 289 
MET HG3  H  N N 290 
MET HE1  H  N N 291 
MET HE2  H  N N 292 
MET HE3  H  N N 293 
MET HXT  H  N N 294 
NGA C1   C  N R 295 
NGA C2   C  N R 296 
NGA C3   C  N R 297 
NGA C4   C  N R 298 
NGA C5   C  N R 299 
NGA C6   C  N N 300 
NGA C7   C  N N 301 
NGA C8   C  N N 302 
NGA N2   N  N N 303 
NGA O1   O  N N 304 
NGA O3   O  N N 305 
NGA O4   O  N N 306 
NGA O5   O  N N 307 
NGA O6   O  N N 308 
NGA O7   O  N N 309 
NGA H1   H  N N 310 
NGA H2   H  N N 311 
NGA H3   H  N N 312 
NGA H4   H  N N 313 
NGA H5   H  N N 314 
NGA H61  H  N N 315 
NGA H62  H  N N 316 
NGA H81  H  N N 317 
NGA H82  H  N N 318 
NGA H83  H  N N 319 
NGA HN2  H  N N 320 
NGA HO1  H  N N 321 
NGA HO3  H  N N 322 
NGA HO4  H  N N 323 
NGA HO6  H  N N 324 
PHE N    N  N N 325 
PHE CA   C  N S 326 
PHE C    C  N N 327 
PHE O    O  N N 328 
PHE CB   C  N N 329 
PHE CG   C  Y N 330 
PHE CD1  C  Y N 331 
PHE CD2  C  Y N 332 
PHE CE1  C  Y N 333 
PHE CE2  C  Y N 334 
PHE CZ   C  Y N 335 
PHE OXT  O  N N 336 
PHE H    H  N N 337 
PHE H2   H  N N 338 
PHE HA   H  N N 339 
PHE HB2  H  N N 340 
PHE HB3  H  N N 341 
PHE HD1  H  N N 342 
PHE HD2  H  N N 343 
PHE HE1  H  N N 344 
PHE HE2  H  N N 345 
PHE HZ   H  N N 346 
PHE HXT  H  N N 347 
PRO N    N  N N 348 
PRO CA   C  N S 349 
PRO C    C  N N 350 
PRO O    O  N N 351 
PRO CB   C  N N 352 
PRO CG   C  N N 353 
PRO CD   C  N N 354 
PRO OXT  O  N N 355 
PRO H    H  N N 356 
PRO HA   H  N N 357 
PRO HB2  H  N N 358 
PRO HB3  H  N N 359 
PRO HG2  H  N N 360 
PRO HG3  H  N N 361 
PRO HD2  H  N N 362 
PRO HD3  H  N N 363 
PRO HXT  H  N N 364 
SER N    N  N N 365 
SER CA   C  N S 366 
SER C    C  N N 367 
SER O    O  N N 368 
SER CB   C  N N 369 
SER OG   O  N N 370 
SER OXT  O  N N 371 
SER H    H  N N 372 
SER H2   H  N N 373 
SER HA   H  N N 374 
SER HB2  H  N N 375 
SER HB3  H  N N 376 
SER HG   H  N N 377 
SER HXT  H  N N 378 
THR N    N  N N 379 
THR CA   C  N S 380 
THR C    C  N N 381 
THR O    O  N N 382 
THR CB   C  N R 383 
THR OG1  O  N N 384 
THR CG2  C  N N 385 
THR OXT  O  N N 386 
THR H    H  N N 387 
THR H2   H  N N 388 
THR HA   H  N N 389 
THR HB   H  N N 390 
THR HG1  H  N N 391 
THR HG21 H  N N 392 
THR HG22 H  N N 393 
THR HG23 H  N N 394 
THR HXT  H  N N 395 
TRP N    N  N N 396 
TRP CA   C  N S 397 
TRP C    C  N N 398 
TRP O    O  N N 399 
TRP CB   C  N N 400 
TRP CG   C  Y N 401 
TRP CD1  C  Y N 402 
TRP CD2  C  Y N 403 
TRP NE1  N  Y N 404 
TRP CE2  C  Y N 405 
TRP CE3  C  Y N 406 
TRP CZ2  C  Y N 407 
TRP CZ3  C  Y N 408 
TRP CH2  C  Y N 409 
TRP OXT  O  N N 410 
TRP H    H  N N 411 
TRP H2   H  N N 412 
TRP HA   H  N N 413 
TRP HB2  H  N N 414 
TRP HB3  H  N N 415 
TRP HD1  H  N N 416 
TRP HE1  H  N N 417 
TRP HE3  H  N N 418 
TRP HZ2  H  N N 419 
TRP HZ3  H  N N 420 
TRP HH2  H  N N 421 
TRP HXT  H  N N 422 
TYR N    N  N N 423 
TYR CA   C  N S 424 
TYR C    C  N N 425 
TYR O    O  N N 426 
TYR CB   C  N N 427 
TYR CG   C  Y N 428 
TYR CD1  C  Y N 429 
TYR CD2  C  Y N 430 
TYR CE1  C  Y N 431 
TYR CE2  C  Y N 432 
TYR CZ   C  Y N 433 
TYR OH   O  N N 434 
TYR OXT  O  N N 435 
TYR H    H  N N 436 
TYR H2   H  N N 437 
TYR HA   H  N N 438 
TYR HB2  H  N N 439 
TYR HB3  H  N N 440 
TYR HD1  H  N N 441 
TYR HD2  H  N N 442 
TYR HE1  H  N N 443 
TYR HE2  H  N N 444 
TYR HH   H  N N 445 
TYR HXT  H  N N 446 
VAL N    N  N N 447 
VAL CA   C  N S 448 
VAL C    C  N N 449 
VAL O    O  N N 450 
VAL CB   C  N N 451 
VAL CG1  C  N N 452 
VAL CG2  C  N N 453 
VAL OXT  O  N N 454 
VAL H    H  N N 455 
VAL H2   H  N N 456 
VAL HA   H  N N 457 
VAL HB   H  N N 458 
VAL HG11 H  N N 459 
VAL HG12 H  N N 460 
VAL HG13 H  N N 461 
VAL HG21 H  N N 462 
VAL HG22 H  N N 463 
VAL HG23 H  N N 464 
VAL HXT  H  N N 465 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A2G O5  C5   sing N N 1   
A2G C1  O5   sing N N 2   
A2G C1  C2   sing N N 3   
A2G C1  H1   sing N N 4   
A2G O1  C1   sing N N 5   
A2G O1  HO1  sing N N 6   
A2G C2  C3   sing N N 7   
A2G C2  H2   sing N N 8   
A2G N2  C2   sing N N 9   
A2G N2  HN2  sing N N 10  
A2G C3  C4   sing N N 11  
A2G C3  O3   sing N N 12  
A2G C3  H3   sing N N 13  
A2G O3  HO3  sing N N 14  
A2G C4  O4   sing N N 15  
A2G C4  H4   sing N N 16  
A2G O4  HO4  sing N N 17  
A2G C5  C4   sing N N 18  
A2G C5  C6   sing N N 19  
A2G C5  H5   sing N N 20  
A2G C6  O6   sing N N 21  
A2G C6  H61  sing N N 22  
A2G C7  N2   sing N N 23  
A2G O7  C7   doub N N 24  
A2G C8  C7   sing N N 25  
A2G C8  H81  sing N N 26  
A2G C8  H82  sing N N 27  
A2G C8  H83  sing N N 28  
A2G C6  H62  sing N N 29  
A2G O6  HO6  sing N N 30  
ALA N   CA   sing N N 31  
ALA N   H    sing N N 32  
ALA N   H2   sing N N 33  
ALA CA  C    sing N N 34  
ALA CA  CB   sing N N 35  
ALA CA  HA   sing N N 36  
ALA C   O    doub N N 37  
ALA C   OXT  sing N N 38  
ALA CB  HB1  sing N N 39  
ALA CB  HB2  sing N N 40  
ALA CB  HB3  sing N N 41  
ALA OXT HXT  sing N N 42  
ARG N   CA   sing N N 43  
ARG N   H    sing N N 44  
ARG N   H2   sing N N 45  
ARG CA  C    sing N N 46  
ARG CA  CB   sing N N 47  
ARG CA  HA   sing N N 48  
ARG C   O    doub N N 49  
ARG C   OXT  sing N N 50  
ARG CB  CG   sing N N 51  
ARG CB  HB2  sing N N 52  
ARG CB  HB3  sing N N 53  
ARG CG  CD   sing N N 54  
ARG CG  HG2  sing N N 55  
ARG CG  HG3  sing N N 56  
ARG CD  NE   sing N N 57  
ARG CD  HD2  sing N N 58  
ARG CD  HD3  sing N N 59  
ARG NE  CZ   sing N N 60  
ARG NE  HE   sing N N 61  
ARG CZ  NH1  sing N N 62  
ARG CZ  NH2  doub N N 63  
ARG NH1 HH11 sing N N 64  
ARG NH1 HH12 sing N N 65  
ARG NH2 HH21 sing N N 66  
ARG NH2 HH22 sing N N 67  
ARG OXT HXT  sing N N 68  
ASN N   CA   sing N N 69  
ASN N   H    sing N N 70  
ASN N   H2   sing N N 71  
ASN CA  C    sing N N 72  
ASN CA  CB   sing N N 73  
ASN CA  HA   sing N N 74  
ASN C   O    doub N N 75  
ASN C   OXT  sing N N 76  
ASN CB  CG   sing N N 77  
ASN CB  HB2  sing N N 78  
ASN CB  HB3  sing N N 79  
ASN CG  OD1  doub N N 80  
ASN CG  ND2  sing N N 81  
ASN ND2 HD21 sing N N 82  
ASN ND2 HD22 sing N N 83  
ASN OXT HXT  sing N N 84  
ASP N   CA   sing N N 85  
ASP N   H    sing N N 86  
ASP N   H2   sing N N 87  
ASP CA  C    sing N N 88  
ASP CA  CB   sing N N 89  
ASP CA  HA   sing N N 90  
ASP C   O    doub N N 91  
ASP C   OXT  sing N N 92  
ASP CB  CG   sing N N 93  
ASP CB  HB2  sing N N 94  
ASP CB  HB3  sing N N 95  
ASP CG  OD1  doub N N 96  
ASP CG  OD2  sing N N 97  
ASP OD2 HD2  sing N N 98  
ASP OXT HXT  sing N N 99  
CYS N   CA   sing N N 100 
CYS N   H    sing N N 101 
CYS N   H2   sing N N 102 
CYS CA  C    sing N N 103 
CYS CA  CB   sing N N 104 
CYS CA  HA   sing N N 105 
CYS C   O    doub N N 106 
CYS C   OXT  sing N N 107 
CYS CB  SG   sing N N 108 
CYS CB  HB2  sing N N 109 
CYS CB  HB3  sing N N 110 
CYS SG  HG   sing N N 111 
CYS OXT HXT  sing N N 112 
GLN N   CA   sing N N 113 
GLN N   H    sing N N 114 
GLN N   H2   sing N N 115 
GLN CA  C    sing N N 116 
GLN CA  CB   sing N N 117 
GLN CA  HA   sing N N 118 
GLN C   O    doub N N 119 
GLN C   OXT  sing N N 120 
GLN CB  CG   sing N N 121 
GLN CB  HB2  sing N N 122 
GLN CB  HB3  sing N N 123 
GLN CG  CD   sing N N 124 
GLN CG  HG2  sing N N 125 
GLN CG  HG3  sing N N 126 
GLN CD  OE1  doub N N 127 
GLN CD  NE2  sing N N 128 
GLN NE2 HE21 sing N N 129 
GLN NE2 HE22 sing N N 130 
GLN OXT HXT  sing N N 131 
GLU N   CA   sing N N 132 
GLU N   H    sing N N 133 
GLU N   H2   sing N N 134 
GLU CA  C    sing N N 135 
GLU CA  CB   sing N N 136 
GLU CA  HA   sing N N 137 
GLU C   O    doub N N 138 
GLU C   OXT  sing N N 139 
GLU CB  CG   sing N N 140 
GLU CB  HB2  sing N N 141 
GLU CB  HB3  sing N N 142 
GLU CG  CD   sing N N 143 
GLU CG  HG2  sing N N 144 
GLU CG  HG3  sing N N 145 
GLU CD  OE1  doub N N 146 
GLU CD  OE2  sing N N 147 
GLU OE2 HE2  sing N N 148 
GLU OXT HXT  sing N N 149 
GLY N   CA   sing N N 150 
GLY N   H    sing N N 151 
GLY N   H2   sing N N 152 
GLY CA  C    sing N N 153 
GLY CA  HA2  sing N N 154 
GLY CA  HA3  sing N N 155 
GLY C   O    doub N N 156 
GLY C   OXT  sing N N 157 
GLY OXT HXT  sing N N 158 
GOL C1  O1   sing N N 159 
GOL C1  C2   sing N N 160 
GOL C1  H11  sing N N 161 
GOL C1  H12  sing N N 162 
GOL O1  HO1  sing N N 163 
GOL C2  O2   sing N N 164 
GOL C2  C3   sing N N 165 
GOL C2  H2   sing N N 166 
GOL O2  HO2  sing N N 167 
GOL C3  O3   sing N N 168 
GOL C3  H31  sing N N 169 
GOL C3  H32  sing N N 170 
GOL O3  HO3  sing N N 171 
HIS N   CA   sing N N 172 
HIS N   H    sing N N 173 
HIS N   H2   sing N N 174 
HIS CA  C    sing N N 175 
HIS CA  CB   sing N N 176 
HIS CA  HA   sing N N 177 
HIS C   O    doub N N 178 
HIS C   OXT  sing N N 179 
HIS CB  CG   sing N N 180 
HIS CB  HB2  sing N N 181 
HIS CB  HB3  sing N N 182 
HIS CG  ND1  sing Y N 183 
HIS CG  CD2  doub Y N 184 
HIS ND1 CE1  doub Y N 185 
HIS ND1 HD1  sing N N 186 
HIS CD2 NE2  sing Y N 187 
HIS CD2 HD2  sing N N 188 
HIS CE1 NE2  sing Y N 189 
HIS CE1 HE1  sing N N 190 
HIS NE2 HE2  sing N N 191 
HIS OXT HXT  sing N N 192 
HOH O   H1   sing N N 193 
HOH O   H2   sing N N 194 
ILE N   CA   sing N N 195 
ILE N   H    sing N N 196 
ILE N   H2   sing N N 197 
ILE CA  C    sing N N 198 
ILE CA  CB   sing N N 199 
ILE CA  HA   sing N N 200 
ILE C   O    doub N N 201 
ILE C   OXT  sing N N 202 
ILE CB  CG1  sing N N 203 
ILE CB  CG2  sing N N 204 
ILE CB  HB   sing N N 205 
ILE CG1 CD1  sing N N 206 
ILE CG1 HG12 sing N N 207 
ILE CG1 HG13 sing N N 208 
ILE CG2 HG21 sing N N 209 
ILE CG2 HG22 sing N N 210 
ILE CG2 HG23 sing N N 211 
ILE CD1 HD11 sing N N 212 
ILE CD1 HD12 sing N N 213 
ILE CD1 HD13 sing N N 214 
ILE OXT HXT  sing N N 215 
LEU N   CA   sing N N 216 
LEU N   H    sing N N 217 
LEU N   H2   sing N N 218 
LEU CA  C    sing N N 219 
LEU CA  CB   sing N N 220 
LEU CA  HA   sing N N 221 
LEU C   O    doub N N 222 
LEU C   OXT  sing N N 223 
LEU CB  CG   sing N N 224 
LEU CB  HB2  sing N N 225 
LEU CB  HB3  sing N N 226 
LEU CG  CD1  sing N N 227 
LEU CG  CD2  sing N N 228 
LEU CG  HG   sing N N 229 
LEU CD1 HD11 sing N N 230 
LEU CD1 HD12 sing N N 231 
LEU CD1 HD13 sing N N 232 
LEU CD2 HD21 sing N N 233 
LEU CD2 HD22 sing N N 234 
LEU CD2 HD23 sing N N 235 
LEU OXT HXT  sing N N 236 
LYS N   CA   sing N N 237 
LYS N   H    sing N N 238 
LYS N   H2   sing N N 239 
LYS CA  C    sing N N 240 
LYS CA  CB   sing N N 241 
LYS CA  HA   sing N N 242 
LYS C   O    doub N N 243 
LYS C   OXT  sing N N 244 
LYS CB  CG   sing N N 245 
LYS CB  HB2  sing N N 246 
LYS CB  HB3  sing N N 247 
LYS CG  CD   sing N N 248 
LYS CG  HG2  sing N N 249 
LYS CG  HG3  sing N N 250 
LYS CD  CE   sing N N 251 
LYS CD  HD2  sing N N 252 
LYS CD  HD3  sing N N 253 
LYS CE  NZ   sing N N 254 
LYS CE  HE2  sing N N 255 
LYS CE  HE3  sing N N 256 
LYS NZ  HZ1  sing N N 257 
LYS NZ  HZ2  sing N N 258 
LYS NZ  HZ3  sing N N 259 
LYS OXT HXT  sing N N 260 
MET N   CA   sing N N 261 
MET N   H    sing N N 262 
MET N   H2   sing N N 263 
MET CA  C    sing N N 264 
MET CA  CB   sing N N 265 
MET CA  HA   sing N N 266 
MET C   O    doub N N 267 
MET C   OXT  sing N N 268 
MET CB  CG   sing N N 269 
MET CB  HB2  sing N N 270 
MET CB  HB3  sing N N 271 
MET CG  SD   sing N N 272 
MET CG  HG2  sing N N 273 
MET CG  HG3  sing N N 274 
MET SD  CE   sing N N 275 
MET CE  HE1  sing N N 276 
MET CE  HE2  sing N N 277 
MET CE  HE3  sing N N 278 
MET OXT HXT  sing N N 279 
NGA C1  C2   sing N N 280 
NGA C1  O1   sing N N 281 
NGA C1  O5   sing N N 282 
NGA C1  H1   sing N N 283 
NGA C2  C3   sing N N 284 
NGA C2  N2   sing N N 285 
NGA C2  H2   sing N N 286 
NGA C3  C4   sing N N 287 
NGA C3  O3   sing N N 288 
NGA C3  H3   sing N N 289 
NGA C4  C5   sing N N 290 
NGA C4  O4   sing N N 291 
NGA C4  H4   sing N N 292 
NGA C5  C6   sing N N 293 
NGA C5  O5   sing N N 294 
NGA C5  H5   sing N N 295 
NGA C6  O6   sing N N 296 
NGA C6  H61  sing N N 297 
NGA C6  H62  sing N N 298 
NGA C7  C8   sing N N 299 
NGA C7  N2   sing N N 300 
NGA C7  O7   doub N N 301 
NGA C8  H81  sing N N 302 
NGA C8  H82  sing N N 303 
NGA C8  H83  sing N N 304 
NGA N2  HN2  sing N N 305 
NGA O1  HO1  sing N N 306 
NGA O3  HO3  sing N N 307 
NGA O4  HO4  sing N N 308 
NGA O6  HO6  sing N N 309 
PHE N   CA   sing N N 310 
PHE N   H    sing N N 311 
PHE N   H2   sing N N 312 
PHE CA  C    sing N N 313 
PHE CA  CB   sing N N 314 
PHE CA  HA   sing N N 315 
PHE C   O    doub N N 316 
PHE C   OXT  sing N N 317 
PHE CB  CG   sing N N 318 
PHE CB  HB2  sing N N 319 
PHE CB  HB3  sing N N 320 
PHE CG  CD1  doub Y N 321 
PHE CG  CD2  sing Y N 322 
PHE CD1 CE1  sing Y N 323 
PHE CD1 HD1  sing N N 324 
PHE CD2 CE2  doub Y N 325 
PHE CD2 HD2  sing N N 326 
PHE CE1 CZ   doub Y N 327 
PHE CE1 HE1  sing N N 328 
PHE CE2 CZ   sing Y N 329 
PHE CE2 HE2  sing N N 330 
PHE CZ  HZ   sing N N 331 
PHE OXT HXT  sing N N 332 
PRO N   CA   sing N N 333 
PRO N   CD   sing N N 334 
PRO N   H    sing N N 335 
PRO CA  C    sing N N 336 
PRO CA  CB   sing N N 337 
PRO CA  HA   sing N N 338 
PRO C   O    doub N N 339 
PRO C   OXT  sing N N 340 
PRO CB  CG   sing N N 341 
PRO CB  HB2  sing N N 342 
PRO CB  HB3  sing N N 343 
PRO CG  CD   sing N N 344 
PRO CG  HG2  sing N N 345 
PRO CG  HG3  sing N N 346 
PRO CD  HD2  sing N N 347 
PRO CD  HD3  sing N N 348 
PRO OXT HXT  sing N N 349 
SER N   CA   sing N N 350 
SER N   H    sing N N 351 
SER N   H2   sing N N 352 
SER CA  C    sing N N 353 
SER CA  CB   sing N N 354 
SER CA  HA   sing N N 355 
SER C   O    doub N N 356 
SER C   OXT  sing N N 357 
SER CB  OG   sing N N 358 
SER CB  HB2  sing N N 359 
SER CB  HB3  sing N N 360 
SER OG  HG   sing N N 361 
SER OXT HXT  sing N N 362 
THR N   CA   sing N N 363 
THR N   H    sing N N 364 
THR N   H2   sing N N 365 
THR CA  C    sing N N 366 
THR CA  CB   sing N N 367 
THR CA  HA   sing N N 368 
THR C   O    doub N N 369 
THR C   OXT  sing N N 370 
THR CB  OG1  sing N N 371 
THR CB  CG2  sing N N 372 
THR CB  HB   sing N N 373 
THR OG1 HG1  sing N N 374 
THR CG2 HG21 sing N N 375 
THR CG2 HG22 sing N N 376 
THR CG2 HG23 sing N N 377 
THR OXT HXT  sing N N 378 
TRP N   CA   sing N N 379 
TRP N   H    sing N N 380 
TRP N   H2   sing N N 381 
TRP CA  C    sing N N 382 
TRP CA  CB   sing N N 383 
TRP CA  HA   sing N N 384 
TRP C   O    doub N N 385 
TRP C   OXT  sing N N 386 
TRP CB  CG   sing N N 387 
TRP CB  HB2  sing N N 388 
TRP CB  HB3  sing N N 389 
TRP CG  CD1  doub Y N 390 
TRP CG  CD2  sing Y N 391 
TRP CD1 NE1  sing Y N 392 
TRP CD1 HD1  sing N N 393 
TRP CD2 CE2  doub Y N 394 
TRP CD2 CE3  sing Y N 395 
TRP NE1 CE2  sing Y N 396 
TRP NE1 HE1  sing N N 397 
TRP CE2 CZ2  sing Y N 398 
TRP CE3 CZ3  doub Y N 399 
TRP CE3 HE3  sing N N 400 
TRP CZ2 CH2  doub Y N 401 
TRP CZ2 HZ2  sing N N 402 
TRP CZ3 CH2  sing Y N 403 
TRP CZ3 HZ3  sing N N 404 
TRP CH2 HH2  sing N N 405 
TRP OXT HXT  sing N N 406 
TYR N   CA   sing N N 407 
TYR N   H    sing N N 408 
TYR N   H2   sing N N 409 
TYR CA  C    sing N N 410 
TYR CA  CB   sing N N 411 
TYR CA  HA   sing N N 412 
TYR C   O    doub N N 413 
TYR C   OXT  sing N N 414 
TYR CB  CG   sing N N 415 
TYR CB  HB2  sing N N 416 
TYR CB  HB3  sing N N 417 
TYR CG  CD1  doub Y N 418 
TYR CG  CD2  sing Y N 419 
TYR CD1 CE1  sing Y N 420 
TYR CD1 HD1  sing N N 421 
TYR CD2 CE2  doub Y N 422 
TYR CD2 HD2  sing N N 423 
TYR CE1 CZ   doub Y N 424 
TYR CE1 HE1  sing N N 425 
TYR CE2 CZ   sing Y N 426 
TYR CE2 HE2  sing N N 427 
TYR CZ  OH   sing N N 428 
TYR OH  HH   sing N N 429 
TYR OXT HXT  sing N N 430 
VAL N   CA   sing N N 431 
VAL N   H    sing N N 432 
VAL N   H2   sing N N 433 
VAL CA  C    sing N N 434 
VAL CA  CB   sing N N 435 
VAL CA  HA   sing N N 436 
VAL C   O    doub N N 437 
VAL C   OXT  sing N N 438 
VAL CB  CG1  sing N N 439 
VAL CB  CG2  sing N N 440 
VAL CB  HB   sing N N 441 
VAL CG1 HG11 sing N N 442 
VAL CG1 HG12 sing N N 443 
VAL CG1 HG13 sing N N 444 
VAL CG2 HG21 sing N N 445 
VAL CG2 HG22 sing N N 446 
VAL CG2 HG23 sing N N 447 
VAL OXT HXT  sing N N 448 
# 
_pdbx_audit_support.funding_organization   'Other private' 
_pdbx_audit_support.country                Germany 
_pdbx_audit_support.grant_number           N.A. 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   1dv8 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9G76 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.008766 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000289 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.030636 
_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]   0.024582 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
CA 
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   . CYS A 1 7   ? -33.871 7.539  15.718  1.00 30.04 ? 152  CYS A N   1 
ATOM   2    C  CA  . CYS A 1 7   ? -33.271 6.198  15.834  1.00 29.80 ? 152  CYS A CA  1 
ATOM   3    C  C   . CYS A 1 7   ? -31.774 6.229  16.215  1.00 26.80 ? 152  CYS A C   1 
ATOM   4    O  O   . CYS A 1 7   ? -31.080 5.210  16.141  1.00 27.28 ? 152  CYS A O   1 
ATOM   5    C  CB  . CYS A 1 7   ? -33.514 5.379  14.569  1.00 32.94 ? 152  CYS A CB  1 
ATOM   6    S  SG  . CYS A 1 7   ? -34.837 6.021  13.510  1.00 44.06 ? 152  CYS A SG  1 
ATOM   7    N  N   . CYS A 1 8   ? -31.287 7.391  16.625  1.00 23.85 ? 153  CYS A N   1 
ATOM   8    C  CA  . CYS A 1 8   ? -29.910 7.553  17.059  1.00 21.51 ? 153  CYS A CA  1 
ATOM   9    C  C   . CYS A 1 8   ? -29.751 6.908  18.432  1.00 20.66 ? 153  CYS A C   1 
ATOM   10   O  O   . CYS A 1 8   ? -30.710 6.847  19.204  1.00 21.07 ? 153  CYS A O   1 
ATOM   11   C  CB  . CYS A 1 8   ? -29.587 9.041  17.120  1.00 20.77 ? 153  CYS A CB  1 
ATOM   12   S  SG  . CYS A 1 8   ? -29.731 9.875  15.527  1.00 20.33 ? 153  CYS A SG  1 
ATOM   13   N  N   . PRO A 1 9   ? -28.537 6.481  18.791  1.00 19.04 ? 154  PRO A N   1 
ATOM   14   C  CA  . PRO A 1 9   ? -28.308 5.981  20.160  1.00 18.49 ? 154  PRO A CA  1 
ATOM   15   C  C   . PRO A 1 9   ? -28.485 7.109  21.189  1.00 18.45 ? 154  PRO A C   1 
ATOM   16   O  O   . PRO A 1 9   ? -28.399 8.290  20.838  1.00 17.42 ? 154  PRO A O   1 
ATOM   17   C  CB  . PRO A 1 9   ? -26.834 5.533  20.118  1.00 19.10 ? 154  PRO A CB  1 
ATOM   18   C  CG  . PRO A 1 9   ? -26.528 5.353  18.628  1.00 19.90 ? 154  PRO A CG  1 
ATOM   19   C  CD  . PRO A 1 9   ? -27.295 6.471  18.000  1.00 18.25 ? 154  PRO A CD  1 
ATOM   20   N  N   . VAL A 1 10  ? -28.706 6.769  22.490  1.00 19.29 ? 155  VAL A N   1 
ATOM   21   C  CA  . VAL A 1 10  ? -28.782 7.804  23.534  1.00 20.37 ? 155  VAL A CA  1 
ATOM   22   C  C   . VAL A 1 10  ? -27.476 8.603  23.567  1.00 20.56 ? 155  VAL A C   1 
ATOM   23   O  O   . VAL A 1 10  ? -26.406 8.033  23.331  1.00 20.86 ? 155  VAL A O   1 
ATOM   24   C  CB  . VAL A 1 10  ? -29.072 7.254  24.956  1.00 22.73 ? 155  VAL A CB  1 
ATOM   25   C  CG1 . VAL A 1 10  ? -30.550 6.988  25.159  1.00 23.43 ? 155  VAL A CG1 1 
ATOM   26   C  CG2 . VAL A 1 10  ? -28.230 6.026  25.272  1.00 23.27 ? 155  VAL A CG2 1 
ATOM   27   N  N   . ASN A 1 11  ? -27.590 9.921  23.787  1.00 20.52 ? 156  ASN A N   1 
ATOM   28   C  CA  . ASN A 1 11  ? -26.477 10.863 23.829  1.00 20.87 ? 156  ASN A CA  1 
ATOM   29   C  C   . ASN A 1 11  ? -25.940 11.245 22.443  1.00 19.70 ? 156  ASN A C   1 
ATOM   30   O  O   . ASN A 1 11  ? -24.935 11.958 22.352  1.00 19.97 ? 156  ASN A O   1 
ATOM   31   C  CB  . ASN A 1 11  ? -25.358 10.396 24.752  1.00 24.47 ? 156  ASN A CB  1 
ATOM   32   C  CG  . ASN A 1 11  ? -25.843 10.132 26.154  1.00 31.52 ? 156  ASN A CG  1 
ATOM   33   O  OD1 . ASN A 1 11  ? -26.682 10.867 26.690  1.00 34.23 ? 156  ASN A OD1 1 
ATOM   34   N  ND2 . ASN A 1 11  ? -25.340 9.073  26.764  1.00 32.73 ? 156  ASN A ND2 1 
ATOM   35   N  N   . TRP A 1 12  ? -26.594 10.773 21.362  1.00 17.34 ? 157  TRP A N   1 
ATOM   36   C  CA  . TRP A 1 12  ? -26.233 11.206 20.023  1.00 16.04 ? 157  TRP A CA  1 
ATOM   37   C  C   . TRP A 1 12  ? -27.293 12.223 19.579  1.00 17.12 ? 157  TRP A C   1 
ATOM   38   O  O   . TRP A 1 12  ? -28.448 12.156 20.004  1.00 17.89 ? 157  TRP A O   1 
ATOM   39   C  CB  . TRP A 1 12  ? -26.145 10.041 19.039  1.00 14.57 ? 157  TRP A CB  1 
ATOM   40   C  CG  . TRP A 1 12  ? -24.986 9.135  19.288  1.00 13.11 ? 157  TRP A CG  1 
ATOM   41   C  CD1 . TRP A 1 12  ? -24.707 8.458  20.439  1.00 13.90 ? 157  TRP A CD1 1 
ATOM   42   C  CD2 . TRP A 1 12  ? -24.018 8.702  18.319  1.00 12.10 ? 157  TRP A CD2 1 
ATOM   43   N  NE1 . TRP A 1 12  ? -23.582 7.684  20.271  1.00 13.99 ? 157  TRP A NE1 1 
ATOM   44   C  CE2 . TRP A 1 12  ? -23.148 7.805  18.972  1.00 13.08 ? 157  TRP A CE2 1 
ATOM   45   C  CE3 . TRP A 1 12  ? -23.743 9.061  16.994  1.00 12.45 ? 157  TRP A CE3 1 
ATOM   46   C  CZ2 . TRP A 1 12  ? -22.039 7.250  18.337  1.00 13.21 ? 157  TRP A CZ2 1 
ATOM   47   C  CZ3 . TRP A 1 12  ? -22.643 8.507  16.370  1.00 12.88 ? 157  TRP A CZ3 1 
ATOM   48   C  CH2 . TRP A 1 12  ? -21.839 7.574  17.024  1.00 13.05 ? 157  TRP A CH2 1 
ATOM   49   N  N   . VAL A 1 13  ? -26.905 13.169 18.735  1.00 17.02 ? 158  VAL A N   1 
ATOM   50   C  CA  . VAL A 1 13  ? -27.786 14.226 18.248  1.00 17.09 ? 158  VAL A CA  1 
ATOM   51   C  C   . VAL A 1 13  ? -28.221 13.908 16.820  1.00 17.70 ? 158  VAL A C   1 
ATOM   52   O  O   . VAL A 1 13  ? -27.379 13.674 15.958  1.00 16.36 ? 158  VAL A O   1 
ATOM   53   C  CB  . VAL A 1 13  ? -27.041 15.588 18.301  1.00 18.09 ? 158  VAL A CB  1 
ATOM   54   C  CG1 . VAL A 1 13  ? -27.961 16.726 17.882  1.00 19.03 ? 158  VAL A CG1 1 
ATOM   55   C  CG2 . VAL A 1 13  ? -26.459 15.843 19.691  1.00 18.73 ? 158  VAL A CG2 1 
ATOM   56   N  N   . GLU A 1 14  ? -29.529 13.929 16.555  1.00 18.61 ? 159  GLU A N   1 
ATOM   57   C  CA  . GLU A 1 14  ? -30.047 13.666 15.218  1.00 20.34 ? 159  GLU A CA  1 
ATOM   58   C  C   . GLU A 1 14  ? -30.129 14.959 14.419  1.00 21.20 ? 159  GLU A C   1 
ATOM   59   O  O   . GLU A 1 14  ? -30.625 15.963 14.927  1.00 22.04 ? 159  GLU A O   1 
ATOM   60   C  CB  . GLU A 1 14  ? -31.449 13.040 15.319  1.00 24.06 ? 159  GLU A CB  1 
ATOM   61   C  CG  . GLU A 1 14  ? -31.944 12.437 14.015  1.00 31.25 ? 159  GLU A CG  1 
ATOM   62   C  CD  . GLU A 1 14  ? -33.294 11.746 14.102  1.00 41.04 ? 159  GLU A CD  1 
ATOM   63   O  OE1 . GLU A 1 14  ? -33.789 11.529 15.233  1.00 42.91 ? 159  GLU A OE1 1 
ATOM   64   O  OE2 . GLU A 1 14  ? -33.856 11.415 13.032  1.00 44.56 ? 159  GLU A OE2 1 
ATOM   65   N  N   . HIS A 1 15  ? -29.680 14.936 13.166  1.00 21.05 ? 160  HIS A N   1 
ATOM   66   C  CA  . HIS A 1 15  ? -29.760 16.099 12.292  1.00 22.32 ? 160  HIS A CA  1 
ATOM   67   C  C   . HIS A 1 15  ? -29.843 15.649 10.861  1.00 22.60 ? 160  HIS A C   1 
ATOM   68   O  O   . HIS A 1 15  ? -28.923 14.996 10.363  1.00 22.12 ? 160  HIS A O   1 
ATOM   69   C  CB  . HIS A 1 15  ? -28.583 17.066 12.491  1.00 24.05 ? 160  HIS A CB  1 
ATOM   70   C  CG  . HIS A 1 15  ? -28.546 18.191 11.500  1.00 28.40 ? 160  HIS A CG  1 
ATOM   71   N  ND1 . HIS A 1 15  ? -29.404 19.273 11.601  1.00 30.26 ? 160  HIS A ND1 1 
ATOM   72   C  CD2 . HIS A 1 15  ? -27.748 18.368 10.422  1.00 30.32 ? 160  HIS A CD2 1 
ATOM   73   C  CE1 . HIS A 1 15  ? -29.110 20.062 10.584  1.00 30.93 ? 160  HIS A CE1 1 
ATOM   74   N  NE2 . HIS A 1 15  ? -28.122 19.560 9.844   1.00 31.54 ? 160  HIS A NE2 1 
ATOM   75   N  N   A GLU A 1 16  ? -30.921 16.116 10.212  0.18 22.71 ? 161  GLU A N   1 
ATOM   76   N  N   B GLU A 1 16  ? -30.958 15.934 10.163  0.82 22.70 ? 161  GLU A N   1 
ATOM   77   C  CA  A GLU A 1 16  ? -31.341 15.846 8.854   0.18 23.27 ? 161  GLU A CA  1 
ATOM   78   C  CA  B GLU A 1 16  ? -31.119 15.534 8.754   0.82 23.17 ? 161  GLU A CA  1 
ATOM   79   C  C   A GLU A 1 16  ? -31.606 14.345 8.767   0.18 23.00 ? 161  GLU A C   1 
ATOM   80   C  C   B GLU A 1 16  ? -30.692 14.080 8.409   0.82 22.89 ? 161  GLU A C   1 
ATOM   81   O  O   A GLU A 1 16  ? -32.715 13.942 9.119   0.18 23.29 ? 161  GLU A O   1 
ATOM   82   O  O   B GLU A 1 16  ? -29.817 13.857 7.554   0.82 23.57 ? 161  GLU A O   1 
ATOM   83   C  CB  . GLU A 1 16  ? -30.407 16.500 7.802   1.00 26.32 ? 161  GLU A CB  1 
ATOM   84   C  CG  . GLU A 1 16  ? -30.725 17.986 7.846   1.00 33.43 ? 161  GLU A CG  1 
ATOM   85   C  CD  . GLU A 1 16  ? -32.078 18.384 7.280   1.00 43.68 ? 161  GLU A CD  1 
ATOM   86   O  OE1 . GLU A 1 16  ? -32.606 17.645 6.417   1.00 44.79 ? 161  GLU A OE1 1 
ATOM   87   O  OE2 . GLU A 1 16  ? -32.600 19.450 7.684   1.00 47.88 ? 161  GLU A OE2 1 
ATOM   88   N  N   A ARG A 1 17  ? -30.615 13.517 8.449   0.18 22.28 ? 162  ARG A N   1 
ATOM   89   N  N   B ARG A 1 17  ? -31.294 13.101 9.075   0.82 21.83 ? 162  ARG A N   1 
ATOM   90   C  CA  A ARG A 1 17  ? -30.793 12.069 8.455   0.18 22.19 ? 162  ARG A CA  1 
ATOM   91   C  CA  B ARG A 1 17  ? -31.057 11.674 8.816   0.82 22.16 ? 162  ARG A CA  1 
ATOM   92   C  C   A ARG A 1 17  ? -29.490 11.414 8.887   0.18 20.80 ? 162  ARG A C   1 
ATOM   93   C  C   B ARG A 1 17  ? -29.672 11.158 9.221   0.82 21.00 ? 162  ARG A C   1 
ATOM   94   O  O   A ARG A 1 17  ? -29.017 10.482 8.241   0.18 20.76 ? 162  ARG A O   1 
ATOM   95   O  O   B ARG A 1 17  ? -29.329 10.038 8.866   0.82 21.39 ? 162  ARG A O   1 
ATOM   96   C  CB  A ARG A 1 17  ? -31.279 11.552 7.095   0.18 24.75 ? 162  ARG A CB  1 
ATOM   97   C  CB  B ARG A 1 17  ? -31.359 11.292 7.351   0.82 25.07 ? 162  ARG A CB  1 
ATOM   98   C  CG  . ARG A 1 17  ? -32.801 11.589 6.945   1.00 29.85 ? 162  ARG A CG  1 
ATOM   99   C  CD  . ARG A 1 17  ? -33.226 10.983 5.622   1.00 37.02 ? 162  ARG A CD  1 
ATOM   100  N  NE  . ARG A 1 17  ? -34.657 11.194 5.382   1.00 42.81 ? 162  ARG A NE  1 
ATOM   101  C  CZ  . ARG A 1 17  ? -35.335 10.672 4.365   1.00 46.51 ? 162  ARG A CZ  1 
ATOM   102  N  NH1 . ARG A 1 17  ? -34.725 9.889  3.483   1.00 46.66 ? 162  ARG A NH1 1 
ATOM   103  N  NH2 . ARG A 1 17  ? -36.632 10.920 4.227   1.00 46.95 ? 162  ARG A NH2 1 
ATOM   104  N  N   . SER A 1 18  ? -28.889 11.944 9.962   1.00 19.45 ? 163  SER A N   1 
ATOM   105  C  CA  . SER A 1 18  ? -27.619 11.471 10.505  1.00 17.66 ? 163  SER A CA  1 
ATOM   106  C  C   . SER A 1 18  ? -27.652 11.621 12.031  1.00 16.02 ? 163  SER A C   1 
ATOM   107  O  O   . SER A 1 18  ? -28.406 12.446 12.547  1.00 16.31 ? 163  SER A O   1 
ATOM   108  C  CB  . SER A 1 18  ? -26.440 12.262 9.942   1.00 18.57 ? 163  SER A CB  1 
ATOM   109  O  OG  . SER A 1 18  ? -25.911 11.648 8.780   1.00 20.57 ? 163  SER A OG  1 
ATOM   110  N  N   . CYS A 1 19  ? -26.822 10.844 12.742  1.00 13.78 ? 164  CYS A N   1 
ATOM   111  C  CA  . CYS A 1 19  ? -26.644 10.847 14.196  1.00 13.28 ? 164  CYS A CA  1 
ATOM   112  C  C   . CYS A 1 19  ? -25.236 11.279 14.459  1.00 12.79 ? 164  CYS A C   1 
ATOM   113  O  O   . CYS A 1 19  ? -24.318 10.775 13.807  1.00 13.33 ? 164  CYS A O   1 
ATOM   114  C  CB  . CYS A 1 19  ? -26.857 9.450  14.745  1.00 13.12 ? 164  CYS A CB  1 
ATOM   115  S  SG  . CYS A 1 19  ? -28.476 8.776  14.344  1.00 18.36 ? 164  CYS A SG  1 
ATOM   116  N  N   . TYR A 1 20  ? -25.042 12.178 15.414  1.00 11.62 ? 165  TYR A N   1 
ATOM   117  C  CA  . TYR A 1 20  ? -23.712 12.724 15.680  1.00 11.04 ? 165  TYR A CA  1 
ATOM   118  C  C   . TYR A 1 20  ? -23.355 12.608 17.132  1.00 11.80 ? 165  TYR A C   1 
ATOM   119  O  O   . TYR A 1 20  ? -24.215 12.759 17.978  1.00 12.73 ? 165  TYR A O   1 
ATOM   120  C  CB  . TYR A 1 20  ? -23.650 14.224 15.320  1.00 10.56 ? 165  TYR A CB  1 
ATOM   121  C  CG  . TYR A 1 20  ? -23.954 14.519 13.875  1.00 10.55 ? 165  TYR A CG  1 
ATOM   122  C  CD1 . TYR A 1 20  ? -25.264 14.587 13.418  1.00 11.51 ? 165  TYR A CD1 1 
ATOM   123  C  CD2 . TYR A 1 20  ? -22.935 14.785 12.969  1.00 11.07 ? 165  TYR A CD2 1 
ATOM   124  C  CE1 . TYR A 1 20  ? -25.552 14.884 12.102  1.00 12.08 ? 165  TYR A CE1 1 
ATOM   125  C  CE2 . TYR A 1 20  ? -23.209 15.044 11.635  1.00 12.06 ? 165  TYR A CE2 1 
ATOM   126  C  CZ  . TYR A 1 20  ? -24.522 15.120 11.209  1.00 12.75 ? 165  TYR A CZ  1 
ATOM   127  O  OH  . TYR A 1 20  ? -24.812 15.417 9.906   1.00 13.66 ? 165  TYR A OH  1 
ATOM   128  N  N   . TRP A 1 21  ? -22.100 12.352 17.421  1.00 11.66 ? 166  TRP A N   1 
ATOM   129  C  CA  . TRP A 1 21  ? -21.619 12.260 18.793  1.00 12.18 ? 166  TRP A CA  1 
ATOM   130  C  C   . TRP A 1 21  ? -20.438 13.199 18.884  1.00 11.73 ? 166  TRP A C   1 
ATOM   131  O  O   . TRP A 1 21  ? -19.522 13.127 18.061  1.00 11.80 ? 166  TRP A O   1 
ATOM   132  C  CB  . TRP A 1 21  ? -21.240 10.825 19.173  1.00 12.80 ? 166  TRP A CB  1 
ATOM   133  C  CG  . TRP A 1 21  ? -20.819 10.675 20.611  1.00 13.62 ? 166  TRP A CG  1 
ATOM   134  C  CD1 . TRP A 1 21  ? -21.631 10.536 21.700  1.00 15.00 ? 166  TRP A CD1 1 
ATOM   135  C  CD2 . TRP A 1 21  ? -19.481 10.721 21.112  1.00 13.97 ? 166  TRP A CD2 1 
ATOM   136  N  NE1 . TRP A 1 21  ? -20.875 10.455 22.844  1.00 15.99 ? 166  TRP A NE1 1 
ATOM   137  C  CE2 . TRP A 1 21  ? -19.549 10.582 22.512  1.00 15.30 ? 166  TRP A CE2 1 
ATOM   138  C  CE3 . TRP A 1 21  ? -18.225 10.872 20.509  1.00 14.57 ? 166  TRP A CE3 1 
ATOM   139  C  CZ2 . TRP A 1 21  ? -18.407 10.559 23.319  1.00 16.15 ? 166  TRP A CZ2 1 
ATOM   140  C  CZ3 . TRP A 1 21  ? -17.095 10.854 21.311  1.00 15.71 ? 166  TRP A CZ3 1 
ATOM   141  C  CH2 . TRP A 1 21  ? -17.191 10.706 22.697  1.00 16.16 ? 166  TRP A CH2 1 
ATOM   142  N  N   . PHE A 1 22  ? -20.488 14.116 19.849  1.00 11.03 ? 167  PHE A N   1 
ATOM   143  C  CA  . PHE A 1 22  ? -19.489 15.158 20.058  1.00 10.07 ? 167  PHE A CA  1 
ATOM   144  C  C   . PHE A 1 22  ? -18.632 14.846 21.254  1.00 10.21 ? 167  PHE A C   1 
ATOM   145  O  O   . PHE A 1 22  ? -19.127 14.851 22.383  1.00 11.08 ? 167  PHE A O   1 
ATOM   146  C  CB  . PHE A 1 22  ? -20.181 16.541 20.229  1.00 10.01 ? 167  PHE A CB  1 
ATOM   147  C  CG  . PHE A 1 22  ? -20.965 16.931 19.007  1.00 10.86 ? 167  PHE A CG  1 
ATOM   148  C  CD1 . PHE A 1 22  ? -22.309 16.610 18.891  1.00 12.08 ? 167  PHE A CD1 1 
ATOM   149  C  CD2 . PHE A 1 22  ? -20.356 17.595 17.959  1.00 11.65 ? 167  PHE A CD2 1 
ATOM   150  C  CE1 . PHE A 1 22  ? -23.012 16.914 17.732  1.00 12.68 ? 167  PHE A CE1 1 
ATOM   151  C  CE2 . PHE A 1 22  ? -21.047 17.863 16.787  1.00 12.08 ? 167  PHE A CE2 1 
ATOM   152  C  CZ  . PHE A 1 22  ? -22.385 17.559 16.694  1.00 12.77 ? 167  PHE A CZ  1 
ATOM   153  N  N   . SER A 1 23  ? -17.323 14.554 21.019  1.00 9.88  ? 168  SER A N   1 
ATOM   154  C  CA  . SER A 1 23  ? -16.458 14.252 22.166  1.00 10.39 ? 168  SER A CA  1 
ATOM   155  C  C   . SER A 1 23  ? -16.255 15.451 23.022  1.00 11.53 ? 168  SER A C   1 
ATOM   156  O  O   . SER A 1 23  ? -16.362 16.582 22.549  1.00 11.34 ? 168  SER A O   1 
ATOM   157  C  CB  . SER A 1 23  ? -15.092 13.732 21.698  1.00 10.27 ? 168  SER A CB  1 
ATOM   158  O  OG  . SER A 1 23  ? -14.196 14.789 21.378  1.00 11.01 ? 168  SER A OG  1 
ATOM   159  N  N   . ARG A 1 24  ? -15.898 15.213 24.277  1.00 12.51 ? 169  ARG A N   1 
ATOM   160  C  CA  . ARG A 1 24  ? -15.500 16.285 25.185  1.00 13.73 ? 169  ARG A CA  1 
ATOM   161  C  C   . ARG A 1 24  ? -14.108 15.982 25.781  1.00 14.17 ? 169  ARG A C   1 
ATOM   162  O  O   . ARG A 1 24  ? -13.781 16.422 26.889  1.00 16.18 ? 169  ARG A O   1 
ATOM   163  C  CB  . ARG A 1 24  ? -16.570 16.591 26.252  1.00 16.28 ? 169  ARG A CB  1 
ATOM   164  C  CG  . ARG A 1 24  ? -17.968 16.904 25.650  1.00 21.39 ? 169  ARG A CG  1 
ATOM   165  C  CD  . ARG A 1 24  ? -18.028 18.088 24.657  1.00 25.50 ? 169  ARG A CD  1 
ATOM   166  N  NE  . ARG A 1 24  ? -19.373 18.237 24.083  1.00 28.17 ? 169  ARG A NE  1 
ATOM   167  C  CZ  . ARG A 1 24  ? -19.693 19.061 23.090  1.00 29.99 ? 169  ARG A CZ  1 
ATOM   168  N  NH1 . ARG A 1 24  ? -18.758 19.799 22.502  1.00 28.77 ? 169  ARG A NH1 1 
ATOM   169  N  NH2 . ARG A 1 24  ? -20.944 19.131 22.654  1.00 29.70 ? 169  ARG A NH2 1 
ATOM   170  N  N   . SER A 1 25  ? -13.289 15.231 25.029  1.00 12.12 ? 170  SER A N   1 
ATOM   171  C  CA  . SER A 1 25  ? -11.924 14.888 25.349  1.00 11.61 ? 170  SER A CA  1 
ATOM   172  C  C   . SER A 1 25  ? -11.178 14.837 23.996  1.00 10.36 ? 170  SER A C   1 
ATOM   173  O  O   . SER A 1 25  ? -11.792 14.876 22.918  1.00 11.14 ? 170  SER A O   1 
ATOM   174  C  CB  . SER A 1 25  ? -11.843 13.542 26.062  1.00 13.49 ? 170  SER A CB  1 
ATOM   175  O  OG  . SER A 1 25  ? -12.307 12.502 25.218  1.00 16.23 ? 170  SER A OG  1 
ATOM   176  N  N   . GLY A 1 26  ? -9.859  14.781 24.059  1.00 9.33  ? 171  GLY A N   1 
ATOM   177  C  CA  . GLY A 1 26  ? -9.034  14.793 22.859  1.00 9.81  ? 171  GLY A CA  1 
ATOM   178  C  C   . GLY A 1 26  ? -8.345  13.487 22.552  1.00 10.57 ? 171  GLY A C   1 
ATOM   179  O  O   . GLY A 1 26  ? -7.992  12.715 23.456  1.00 12.35 ? 171  GLY A O   1 
ATOM   180  N  N   . LYS A 1 27  ? -8.118  13.251 21.261  1.00 8.73  ? 172  LYS A N   1 
ATOM   181  C  CA  . LYS A 1 27  ? -7.403  12.077 20.825  1.00 8.40  ? 172  LYS A CA  1 
ATOM   182  C  C   . LYS A 1 27  ? -6.631  12.454 19.561  1.00 8.42  ? 172  LYS A C   1 
ATOM   183  O  O   . LYS A 1 27  ? -7.048  13.348 18.798  1.00 7.72  ? 172  LYS A O   1 
ATOM   184  C  CB  . LYS A 1 27  ? -8.383  10.944 20.424  1.00 11.30 ? 172  LYS A CB  1 
ATOM   185  C  CG  . LYS A 1 27  ? -8.862  10.081 21.595  1.00 13.12 ? 172  LYS A CG  1 
ATOM   186  C  CD  . LYS A 1 27  ? -9.773  8.997  21.086  1.00 15.91 ? 172  LYS A CD  1 
ATOM   187  C  CE  . LYS A 1 27  ? -10.468 8.239  22.209  1.00 20.40 ? 172  LYS A CE  1 
ATOM   188  N  NZ  . LYS A 1 27  ? -9.504  7.526  23.080  1.00 23.26 ? 172  LYS A NZ  1 
ATOM   189  N  N   . ALA A 1 28  ? -5.546  11.718 19.295  1.00 8.66  ? 173  ALA A N   1 
ATOM   190  C  CA  . ALA A 1 28  ? -4.840  11.814 18.004  1.00 8.43  ? 173  ALA A CA  1 
ATOM   191  C  C   . ALA A 1 28  ? -5.834  11.321 16.935  1.00 8.92  ? 173  ALA A C   1 
ATOM   192  O  O   . ALA A 1 28  ? -6.733  10.534 17.263  1.00 8.43  ? 173  ALA A O   1 
ATOM   193  C  CB  . ALA A 1 28  ? -3.609  10.899 18.014  1.00 9.27  ? 173  ALA A CB  1 
ATOM   194  N  N   . TRP A 1 29  ? -5.700  11.786 15.695  1.00 8.10  ? 174  TRP A N   1 
ATOM   195  C  CA  . TRP A 1 29  ? -6.673  11.446 14.656  1.00 8.55  ? 174  TRP A CA  1 
ATOM   196  C  C   . TRP A 1 29  ? -6.907  9.938  14.478  1.00 8.81  ? 174  TRP A C   1 
ATOM   197  O  O   . TRP A 1 29  ? -8.054  9.506  14.377  1.00 9.32  ? 174  TRP A O   1 
ATOM   198  C  CB  . TRP A 1 29  ? -6.280  12.087 13.330  1.00 7.59  ? 174  TRP A CB  1 
ATOM   199  C  CG  . TRP A 1 29  ? -7.340  12.051 12.273  1.00 8.29  ? 174  TRP A CG  1 
ATOM   200  C  CD1 . TRP A 1 29  ? -8.176  13.075 11.907  1.00 8.93  ? 174  TRP A CD1 1 
ATOM   201  C  CD2 . TRP A 1 29  ? -7.578  10.982 11.343  1.00 8.55  ? 174  TRP A CD2 1 
ATOM   202  N  NE1 . TRP A 1 29  ? -8.959  12.680 10.835  1.00 8.03  ? 174  TRP A NE1 1 
ATOM   203  C  CE2 . TRP A 1 29  ? -8.623  11.394 10.487  1.00 8.55  ? 174  TRP A CE2 1 
ATOM   204  C  CE3 . TRP A 1 29  ? -7.041  9.685  11.189  1.00 9.32  ? 174  TRP A CE3 1 
ATOM   205  C  CZ2 . TRP A 1 29  ? -9.125  10.572 9.477   1.00 9.50  ? 174  TRP A CZ2 1 
ATOM   206  C  CZ3 . TRP A 1 29  ? -7.573  8.856  10.220  1.00 10.35 ? 174  TRP A CZ3 1 
ATOM   207  C  CH2 . TRP A 1 29  ? -8.604  9.297  9.381   1.00 10.06 ? 174  TRP A CH2 1 
ATOM   208  N  N   . ALA A 1 30  ? -5.829  9.137  14.465  1.00 9.76  ? 175  ALA A N   1 
ATOM   209  C  CA  . ALA A 1 30  ? -6.002  7.677  14.252  1.00 11.16 ? 175  ALA A CA  1 
ATOM   210  C  C   . ALA A 1 30  ? -6.816  7.055  15.382  1.00 11.26 ? 175  ALA A C   1 
ATOM   211  O  O   . ALA A 1 30  ? -7.585  6.117  15.140  1.00 11.50 ? 175  ALA A O   1 
ATOM   212  C  CB  . ALA A 1 30  ? -4.657  6.979  14.146  1.00 11.63 ? 175  ALA A CB  1 
ATOM   213  N  N   . ASP A 1 31  ? -6.614  7.552  16.619  1.00 10.60 ? 176  ASP A N   1 
ATOM   214  C  CA  . ASP A 1 31  ? -7.365  7.028  17.757  1.00 10.74 ? 176  ASP A CA  1 
ATOM   215  C  C   . ASP A 1 31  ? -8.825  7.462  17.689  1.00 10.45 ? 176  ASP A C   1 
ATOM   216  O  O   . ASP A 1 31  ? -9.725  6.701  18.060  1.00 11.76 ? 176  ASP A O   1 
ATOM   217  C  CB  . ASP A 1 31  ? -6.697  7.427  19.073  1.00 12.69 ? 176  ASP A CB  1 
ATOM   218  C  CG  . ASP A 1 31  ? -5.327  6.774  19.197  1.00 20.18 ? 176  ASP A CG  1 
ATOM   219  O  OD1 . ASP A 1 31  ? -4.411  7.423  19.722  1.00 22.00 ? 176  ASP A OD1 1 
ATOM   220  O  OD2 . ASP A 1 31  ? -5.172  5.616  18.730  1.00 22.62 ? 176  ASP A OD2 1 
ATOM   221  N  N   . ALA A 1 32  ? -9.076  8.714  17.247  1.00 9.36  ? 177  ALA A N   1 
ATOM   222  C  CA  . ALA A 1 32  ? -10.447 9.211  17.090  1.00 8.87  ? 177  ALA A CA  1 
ATOM   223  C  C   . ALA A 1 32  ? -11.161 8.410  15.978  1.00 9.20  ? 177  ALA A C   1 
ATOM   224  O  O   . ALA A 1 32  ? -12.334 8.051  16.114  1.00 10.11 ? 177  ALA A O   1 
ATOM   225  C  CB  . ALA A 1 32  ? -10.424 10.693 16.736  1.00 9.03  ? 177  ALA A CB  1 
ATOM   226  N  N   . ASP A 1 33  ? -10.456 8.108  14.897  1.00 9.20  ? 178  ASP A N   1 
ATOM   227  C  CA  . ASP A 1 33  ? -11.009 7.329  13.788  1.00 9.99  ? 178  ASP A CA  1 
ATOM   228  C  C   . ASP A 1 33  ? -11.416 5.928  14.306  1.00 11.08 ? 178  ASP A C   1 
ATOM   229  O  O   . ASP A 1 33  ? -12.544 5.485  14.097  1.00 13.08 ? 178  ASP A O   1 
ATOM   230  C  CB  . ASP A 1 33  ? -9.915  7.203  12.713  1.00 11.45 ? 178  ASP A CB  1 
ATOM   231  C  CG  . ASP A 1 33  ? -10.266 6.311  11.544  1.00 17.32 ? 178  ASP A CG  1 
ATOM   232  O  OD1 . ASP A 1 33  ? -11.233 6.626  10.824  1.00 16.94 ? 178  ASP A OD1 1 
ATOM   233  O  OD2 . ASP A 1 33  ? -9.517  5.341  11.297  1.00 21.50 ? 178  ASP A OD2 1 
ATOM   234  N  N   . ASN A 1 34  ? -10.529 5.296  15.071  1.00 10.71 ? 179  ASN A N   1 
ATOM   235  C  CA  . ASN A 1 34  ? -10.798 3.956  15.616  1.00 11.63 ? 179  ASN A CA  1 
ATOM   236  C  C   . ASN A 1 34  ? -11.982 4.019  16.573  1.00 11.82 ? 179  ASN A C   1 
ATOM   237  O  O   . ASN A 1 34  ? -12.884 3.185  16.503  1.00 12.70 ? 179  ASN A O   1 
ATOM   238  C  CB  . ASN A 1 34  ? -9.552  3.428  16.337  1.00 13.65 ? 179  ASN A CB  1 
ATOM   239  C  CG  . ASN A 1 34  ? -9.776  2.123  17.073  1.00 18.51 ? 179  ASN A CG  1 
ATOM   240  O  OD1 . ASN A 1 34  ? -9.995  2.097  18.290  1.00 20.59 ? 179  ASN A OD1 1 
ATOM   241  N  ND2 . ASN A 1 34  ? -9.749  1.018  16.357  1.00 18.56 ? 179  ASN A ND2 1 
ATOM   242  N  N   . TYR A 1 35  ? -12.047 5.071  17.401  1.00 10.78 ? 180  TYR A N   1 
ATOM   243  C  CA  . TYR A 1 35  ? -13.188 5.251  18.316  1.00 10.88 ? 180  TYR A CA  1 
ATOM   244  C  C   . TYR A 1 35  ? -14.516 5.262  17.544  1.00 11.09 ? 180  TYR A C   1 
ATOM   245  O  O   . TYR A 1 35  ? -15.441 4.538  17.911  1.00 11.60 ? 180  TYR A O   1 
ATOM   246  C  CB  . TYR A 1 35  ? -13.027 6.547  19.142  1.00 10.89 ? 180  TYR A CB  1 
ATOM   247  C  CG  . TYR A 1 35  ? -14.185 6.766  20.085  1.00 11.44 ? 180  TYR A CG  1 
ATOM   248  C  CD1 . TYR A 1 35  ? -14.079 6.459  21.434  1.00 13.86 ? 180  TYR A CD1 1 
ATOM   249  C  CD2 . TYR A 1 35  ? -15.391 7.262  19.628  1.00 12.95 ? 180  TYR A CD2 1 
ATOM   250  C  CE1 . TYR A 1 35  ? -15.162 6.625  22.297  1.00 14.52 ? 180  TYR A CE1 1 
ATOM   251  C  CE2 . TYR A 1 35  ? -16.478 7.421  20.475  1.00 13.58 ? 180  TYR A CE2 1 
ATOM   252  C  CZ  . TYR A 1 35  ? -16.351 7.129  21.816  1.00 14.70 ? 180  TYR A CZ  1 
ATOM   253  O  OH  . TYR A 1 35  ? -17.454 7.255  22.645  1.00 15.89 ? 180  TYR A OH  1 
ATOM   254  N  N   . CYS A 1 36  ? -14.597 6.051  16.466  1.00 10.58 ? 181  CYS A N   1 
ATOM   255  C  CA  . CYS A 1 36  ? -15.835 6.118  15.698  1.00 10.65 ? 181  CYS A CA  1 
ATOM   256  C  C   . CYS A 1 36  ? -16.185 4.787  15.072  1.00 11.33 ? 181  CYS A C   1 
ATOM   257  O  O   . CYS A 1 36  ? -17.346 4.387  15.117  1.00 11.60 ? 181  CYS A O   1 
ATOM   258  C  CB  . CYS A 1 36  ? -15.774 7.219  14.663  1.00 11.16 ? 181  CYS A CB  1 
ATOM   259  S  SG  . CYS A 1 36  ? -15.629 8.873  15.380  1.00 12.77 ? 181  CYS A SG  1 
ATOM   260  N  N   A ARG A 1 37  ? -15.193 4.093  14.508  0.46 11.45 ? 182  ARG A N   1 
ATOM   261  N  N   B ARG A 1 37  ? -15.202 4.087  14.506  0.54 11.33 ? 182  ARG A N   1 
ATOM   262  C  CA  A ARG A 1 37  ? -15.432 2.791  13.877  0.46 12.49 ? 182  ARG A CA  1 
ATOM   263  C  CA  B ARG A 1 37  ? -15.477 2.782  13.889  0.54 12.32 ? 182  ARG A CA  1 
ATOM   264  C  C   A ARG A 1 37  ? -15.941 1.744  14.865  0.46 13.45 ? 182  ARG A C   1 
ATOM   265  C  C   B ARG A 1 37  ? -16.020 1.780  14.892  0.54 13.31 ? 182  ARG A C   1 
ATOM   266  O  O   A ARG A 1 37  ? -16.721 0.872  14.484  0.46 14.20 ? 182  ARG A O   1 
ATOM   267  O  O   B ARG A 1 37  ? -16.920 1.005  14.561  0.54 13.87 ? 182  ARG A O   1 
ATOM   268  C  CB  A ARG A 1 37  ? -14.178 2.294  13.153  0.46 13.34 ? 182  ARG A CB  1 
ATOM   269  C  CB  B ARG A 1 37  ? -14.231 2.233  13.223  0.54 13.05 ? 182  ARG A CB  1 
ATOM   270  C  CG  A ARG A 1 37  ? -13.879 3.074  11.883  0.46 14.70 ? 182  ARG A CG  1 
ATOM   271  C  CG  B ARG A 1 37  ? -13.820 3.072  12.045  0.54 14.29 ? 182  ARG A CG  1 
ATOM   272  C  CD  A ARG A 1 37  ? -12.729 2.464  11.088  0.46 16.21 ? 182  ARG A CD  1 
ATOM   273  C  CD  B ARG A 1 37  ? -12.570 2.507  11.403  0.54 15.74 ? 182  ARG A CD  1 
ATOM   274  N  NE  A ARG A 1 37  ? -11.413 2.972  11.490  0.46 17.72 ? 182  ARG A NE  1 
ATOM   275  N  NE  B ARG A 1 37  ? -12.231 3.212  10.168  0.54 16.86 ? 182  ARG A NE  1 
ATOM   276  C  CZ  A ARG A 1 37  ? -10.540 2.295  12.233  0.46 19.03 ? 182  ARG A CZ  1 
ATOM   277  C  CZ  B ARG A 1 37  ? -12.746 2.923  8.974   0.54 19.31 ? 182  ARG A CZ  1 
ATOM   278  N  NH1 A ARG A 1 37  ? -10.833 1.079  12.673  0.46 18.87 ? 182  ARG A NH1 1 
ATOM   279  N  NH1 B ARG A 1 37  ? -13.655 1.965  8.850   0.54 18.58 ? 182  ARG A NH1 1 
ATOM   280  N  NH2 A ARG A 1 37  ? -9.365  2.830  12.540  0.46 17.53 ? 182  ARG A NH2 1 
ATOM   281  N  NH2 B ARG A 1 37  ? -12.386 3.616  7.904   0.54 20.70 ? 182  ARG A NH2 1 
ATOM   282  N  N   . LEU A 1 38  ? -15.535 1.843  16.136  1.00 12.95 ? 183  LEU A N   1 
ATOM   283  C  CA  . LEU A 1 38  ? -16.003 0.912  17.173  1.00 15.09 ? 183  LEU A CA  1 
ATOM   284  C  C   . LEU A 1 38  ? -17.440 1.206  17.631  1.00 16.89 ? 183  LEU A C   1 
ATOM   285  O  O   . LEU A 1 38  ? -18.057 0.366  18.285  1.00 18.08 ? 183  LEU A O   1 
ATOM   286  C  CB  . LEU A 1 38  ? -15.017 0.855  18.340  1.00 15.85 ? 183  LEU A CB  1 
ATOM   287  C  CG  . LEU A 1 38  ? -13.876 -0.176 18.226  1.00 19.31 ? 183  LEU A CG  1 
ATOM   288  C  CD1 . LEU A 1 38  ? -13.236 -0.246 16.833  1.00 20.58 ? 183  LEU A CD1 1 
ATOM   289  C  CD2 . LEU A 1 38  ? -12.844 0.049  19.311  1.00 20.04 ? 183  LEU A CD2 1 
ATOM   290  N  N   . GLU A 1 39  ? -17.992 2.370  17.256  1.00 16.14 ? 184  GLU A N   1 
ATOM   291  C  CA  . GLU A 1 39  ? -19.391 2.702  17.501  1.00 16.65 ? 184  GLU A CA  1 
ATOM   292  C  C   . GLU A 1 39  ? -20.200 2.476  16.205  1.00 17.23 ? 184  GLU A C   1 
ATOM   293  O  O   . GLU A 1 39  ? -21.260 3.083  16.062  1.00 18.04 ? 184  GLU A O   1 
ATOM   294  C  CB  . GLU A 1 39  ? -19.513 4.188  17.898  1.00 17.73 ? 184  GLU A CB  1 
ATOM   295  C  CG  . GLU A 1 39  ? -18.729 4.550  19.142  1.00 21.00 ? 184  GLU A CG  1 
ATOM   296  C  CD  . GLU A 1 39  ? -19.308 3.926  20.393  1.00 28.20 ? 184  GLU A CD  1 
ATOM   297  O  OE1 . GLU A 1 39  ? -20.552 3.796  20.458  1.00 30.21 ? 184  GLU A OE1 1 
ATOM   298  O  OE2 . GLU A 1 39  ? -18.528 3.554  21.299  1.00 30.54 ? 184  GLU A OE2 1 
ATOM   299  N  N   . ASP A 1 40  ? -19.691 1.689  15.226  1.00 17.07 ? 185  ASP A N   1 
ATOM   300  C  CA  . ASP A 1 40  ? -20.343 1.494  13.920  1.00 17.46 ? 185  ASP A CA  1 
ATOM   301  C  C   . ASP A 1 40  ? -20.614 2.852  13.248  1.00 17.09 ? 185  ASP A C   1 
ATOM   302  O  O   . ASP A 1 40  ? -21.681 3.088  12.684  1.00 17.94 ? 185  ASP A O   1 
ATOM   303  C  CB  . ASP A 1 40  ? -21.644 0.686  14.077  1.00 20.17 ? 185  ASP A CB  1 
ATOM   304  C  CG  . ASP A 1 40  ? -21.377 -0.702 14.603  1.00 30.22 ? 185  ASP A CG  1 
ATOM   305  O  OD1 . ASP A 1 40  ? -20.645 -1.461 13.926  1.00 32.34 ? 185  ASP A OD1 1 
ATOM   306  O  OD2 . ASP A 1 40  ? -21.892 -1.035 15.705  1.00 34.01 ? 185  ASP A OD2 1 
ATOM   307  N  N   . ALA A 1 41  ? -19.658 3.773  13.398  1.00 15.29 ? 186  ALA A N   1 
ATOM   308  C  CA  . ALA A 1 41  ? -19.787 5.137  12.921  1.00 14.44 ? 186  ALA A CA  1 
ATOM   309  C  C   . ALA A 1 41  ? -18.452 5.543  12.205  1.00 13.04 ? 186  ALA A C   1 
ATOM   310  O  O   . ALA A 1 41  ? -17.571 4.698  12.004  1.00 13.30 ? 186  ALA A O   1 
ATOM   311  C  CB  . ALA A 1 41  ? -20.098 6.046  14.142  1.00 14.86 ? 186  ALA A CB  1 
ATOM   312  N  N   . HIS A 1 42  ? -18.321 6.809  11.813  1.00 11.61 ? 187  HIS A N   1 
ATOM   313  C  CA  . HIS A 1 42  ? -17.124 7.283  11.182  1.00 10.86 ? 187  HIS A CA  1 
ATOM   314  C  C   . HIS A 1 42  ? -16.889 8.702  11.633  1.00 10.89 ? 187  HIS A C   1 
ATOM   315  O  O   . HIS A 1 42  ? -17.830 9.397  12.032  1.00 11.06 ? 187  HIS A O   1 
ATOM   316  C  CB  . HIS A 1 42  ? -17.296 7.213  9.653   1.00 11.47 ? 187  HIS A CB  1 
ATOM   317  C  CG  . HIS A 1 42  ? -18.467 7.981  9.108   1.00 12.70 ? 187  HIS A CG  1 
ATOM   318  N  ND1 . HIS A 1 42  ? -18.403 9.341  8.890   1.00 13.02 ? 187  HIS A ND1 1 
ATOM   319  C  CD2 . HIS A 1 42  ? -19.701 7.543  8.754   1.00 14.33 ? 187  HIS A CD2 1 
ATOM   320  C  CE1 . HIS A 1 42  ? -19.575 9.694  8.396   1.00 14.82 ? 187  HIS A CE1 1 
ATOM   321  N  NE2 . HIS A 1 42  ? -20.396 8.645  8.308   1.00 15.63 ? 187  HIS A NE2 1 
ATOM   322  N  N   . LEU A 1 43  ? -15.642 9.202  11.513  1.00 10.31 ? 188  LEU A N   1 
ATOM   323  C  CA  . LEU A 1 43  ? -15.379 10.621 11.794  1.00 9.74  ? 188  LEU A CA  1 
ATOM   324  C  C   . LEU A 1 43  ? -16.260 11.481 10.862  1.00 9.65  ? 188  LEU A C   1 
ATOM   325  O  O   . LEU A 1 43  ? -16.476 11.119 9.696   1.00 9.88  ? 188  LEU A O   1 
ATOM   326  C  CB  . LEU A 1 43  ? -13.903 10.943 11.597  1.00 9.74  ? 188  LEU A CB  1 
ATOM   327  C  CG  . LEU A 1 43  ? -12.991 10.576 12.752  1.00 10.18 ? 188  LEU A CG  1 
ATOM   328  C  CD1 . LEU A 1 43  ? -11.541 10.565 12.298  1.00 11.08 ? 188  LEU A CD1 1 
ATOM   329  C  CD2 . LEU A 1 43  ? -13.194 11.524 13.950  1.00 10.47 ? 188  LEU A CD2 1 
ATOM   330  N  N   . VAL A 1 44  ? -16.812 12.583 11.382  1.00 9.04  ? 189  VAL A N   1 
ATOM   331  C  CA  . VAL A 1 44  ? -17.807 13.348 10.639  1.00 9.45  ? 189  VAL A CA  1 
ATOM   332  C  C   . VAL A 1 44  ? -17.395 13.697 9.214   1.00 9.74  ? 189  VAL A C   1 
ATOM   333  O  O   . VAL A 1 44  ? -16.246 14.020 8.982   1.00 9.49  ? 189  VAL A O   1 
ATOM   334  C  CB  . VAL A 1 44  ? -18.245 14.593 11.425  1.00 10.65 ? 189  VAL A CB  1 
ATOM   335  C  CG1 . VAL A 1 44  ? -17.114 15.622 11.546  1.00 10.72 ? 189  VAL A CG1 1 
ATOM   336  C  CG2 . VAL A 1 44  ? -19.504 15.207 10.821  1.00 11.43 ? 189  VAL A CG2 1 
ATOM   337  N  N   . VAL A 1 45  ? -18.310 13.525 8.250   1.00 10.39 ? 190  VAL A N   1 
ATOM   338  C  CA  . VAL A 1 45  ? -18.073 13.838 6.845   1.00 11.48 ? 190  VAL A CA  1 
ATOM   339  C  C   . VAL A 1 45  ? -19.018 14.972 6.500   1.00 12.04 ? 190  VAL A C   1 
ATOM   340  O  O   . VAL A 1 45  ? -20.231 14.803 6.596   1.00 13.25 ? 190  VAL A O   1 
ATOM   341  C  CB  . VAL A 1 45  ? -18.307 12.623 5.936   1.00 11.90 ? 190  VAL A CB  1 
ATOM   342  C  CG1 . VAL A 1 45  ? -18.274 13.059 4.463   1.00 12.61 ? 190  VAL A CG1 1 
ATOM   343  C  CG2 . VAL A 1 45  ? -17.291 11.519 6.233   1.00 12.69 ? 190  VAL A CG2 1 
ATOM   344  N  N   . VAL A 1 46  ? -18.480 16.151 6.237   1.00 11.89 ? 191  VAL A N   1 
ATOM   345  C  CA  . VAL A 1 46  ? -19.297 17.340 6.037   1.00 12.41 ? 191  VAL A CA  1 
ATOM   346  C  C   . VAL A 1 46  ? -19.536 17.571 4.546   1.00 13.77 ? 191  VAL A C   1 
ATOM   347  O  O   . VAL A 1 46  ? -18.578 17.840 3.820   1.00 13.89 ? 191  VAL A O   1 
ATOM   348  C  CB  . VAL A 1 46  ? -18.589 18.551 6.662   1.00 13.52 ? 191  VAL A CB  1 
ATOM   349  C  CG1 . VAL A 1 46  ? -19.431 19.820 6.495   1.00 14.30 ? 191  VAL A CG1 1 
ATOM   350  C  CG2 . VAL A 1 46  ? -18.222 18.296 8.127   1.00 13.67 ? 191  VAL A CG2 1 
ATOM   351  N  N   . THR A 1 47  ? -20.808 17.498 4.083   1.00 13.95 ? 192  THR A N   1 
ATOM   352  C  CA  . THR A 1 47  ? -21.083 17.645 2.651   1.00 15.36 ? 192  THR A CA  1 
ATOM   353  C  C   . THR A 1 47  ? -21.983 18.810 2.271   1.00 16.51 ? 192  THR A C   1 
ATOM   354  O  O   . THR A 1 47  ? -22.366 18.917 1.093   1.00 16.32 ? 192  THR A O   1 
ATOM   355  C  CB  . THR A 1 47  ? -21.647 16.351 2.092   1.00 17.19 ? 192  THR A CB  1 
ATOM   356  O  OG1 . THR A 1 47  ? -22.831 16.038 2.829   1.00 17.48 ? 192  THR A OG1 1 
ATOM   357  C  CG2 . THR A 1 47  ? -20.632 15.202 2.163   1.00 18.17 ? 192  THR A CG2 1 
ATOM   358  N  N   . SER A 1 48  ? -22.279 19.705 3.217   1.00 16.96 ? 193  SER A N   1 
ATOM   359  C  CA  . SER A 1 48  ? -23.085 20.871 2.910   1.00 17.80 ? 193  SER A CA  1 
ATOM   360  C  C   . SER A 1 48  ? -22.849 21.998 3.900   1.00 17.89 ? 193  SER A C   1 
ATOM   361  O  O   . SER A 1 48  ? -22.321 21.770 5.005   1.00 16.70 ? 193  SER A O   1 
ATOM   362  C  CB  . SER A 1 48  ? -24.566 20.490 2.900   1.00 19.52 ? 193  SER A CB  1 
ATOM   363  O  OG  . SER A 1 48  ? -24.986 20.213 4.227   1.00 20.72 ? 193  SER A OG  1 
ATOM   364  N  N   A TRP A 1 49  ? -23.261 23.220 3.514   0.36 18.35 ? 194  TRP A N   1 
ATOM   365  N  N   B TRP A 1 49  ? -23.247 23.219 3.522   0.63 18.37 ? 194  TRP A N   1 
ATOM   366  C  CA  A TRP A 1 49  ? -23.200 24.426 4.330   0.36 19.21 ? 194  TRP A CA  1 
ATOM   367  C  CA  B TRP A 1 49  ? -23.123 24.352 4.411   0.63 19.22 ? 194  TRP A CA  1 
ATOM   368  C  C   A TRP A 1 49  ? -24.035 24.211 5.607   0.36 19.08 ? 194  TRP A C   1 
ATOM   369  C  C   B TRP A 1 49  ? -24.021 24.175 5.647   0.63 18.89 ? 194  TRP A C   1 
ATOM   370  O  O   A TRP A 1 49  ? -23.617 24.613 6.689   0.36 18.97 ? 194  TRP A O   1 
ATOM   371  O  O   B TRP A 1 49  ? -23.618 24.547 6.746   0.63 18.55 ? 194  TRP A O   1 
ATOM   372  C  CB  A TRP A 1 49  ? -23.814 25.598 3.532   0.36 19.85 ? 194  TRP A CB  1 
ATOM   373  C  CB  B TRP A 1 49  ? -23.446 25.662 3.674   0.63 20.14 ? 194  TRP A CB  1 
ATOM   374  C  CG  A TRP A 1 49  ? -22.942 26.800 3.312   0.36 21.19 ? 194  TRP A CG  1 
ATOM   375  C  CG  B TRP A 1 49  ? -23.337 26.872 4.544   0.63 21.85 ? 194  TRP A CG  1 
ATOM   376  C  CD1 A TRP A 1 49  ? -21.632 26.954 3.658   0.36 22.39 ? 194  TRP A CD1 1 
ATOM   377  C  CD1 B TRP A 1 49  ? -24.355 27.678 4.962   0.63 23.28 ? 194  TRP A CD1 1 
ATOM   378  C  CD2 A TRP A 1 49  ? -23.333 28.021 2.665   0.36 21.72 ? 194  TRP A CD2 1 
ATOM   379  C  CD2 B TRP A 1 49  ? -22.143 27.380 5.155   0.63 22.70 ? 194  TRP A CD2 1 
ATOM   380  N  NE1 A TRP A 1 49  ? -21.182 28.195 3.262   0.36 22.82 ? 194  TRP A NE1 1 
ATOM   381  N  NE1 B TRP A 1 49  ? -23.865 28.677 5.771   0.63 24.00 ? 194  TRP A NE1 1 
ATOM   382  C  CE2 A TRP A 1 49  ? -22.211 28.873 2.659   0.36 22.51 ? 194  TRP A CE2 1 
ATOM   383  C  CE2 B TRP A 1 49  ? -22.510 28.509 5.916   0.63 23.94 ? 194  TRP A CE2 1 
ATOM   384  C  CE3 A TRP A 1 49  ? -24.529 28.478 2.095   0.36 22.37 ? 194  TRP A CE3 1 
ATOM   385  C  CE3 B TRP A 1 49  ? -20.801 26.984 5.140   0.63 23.24 ? 194  TRP A CE3 1 
ATOM   386  C  CZ2 A TRP A 1 49  ? -22.248 30.147 2.098   0.36 23.25 ? 194  TRP A CZ2 1 
ATOM   387  C  CZ2 B TRP A 1 49  ? -21.577 29.261 6.629   0.63 24.86 ? 194  TRP A CZ2 1 
ATOM   388  C  CZ3 A TRP A 1 49  ? -24.563 29.743 1.544   0.36 23.22 ? 194  TRP A CZ3 1 
ATOM   389  C  CZ3 B TRP A 1 49  ? -19.882 27.721 5.856   0.63 24.51 ? 194  TRP A CZ3 1 
ATOM   390  C  CH2 A TRP A 1 49  ? -23.432 30.562 1.548   0.36 23.38 ? 194  TRP A CH2 1 
ATOM   391  C  CH2 B TRP A 1 49  ? -20.273 28.834 6.604   0.63 24.95 ? 194  TRP A CH2 1 
ATOM   392  N  N   . GLU A 1 50  ? -25.221 23.592 5.475   1.00 19.05 ? 195  GLU A N   1 
ATOM   393  C  CA  . GLU A 1 50  ? -26.106 23.364 6.612   1.00 19.76 ? 195  GLU A CA  1 
ATOM   394  C  C   . GLU A 1 50  ? -25.519 22.364 7.614   1.00 17.58 ? 195  GLU A C   1 
ATOM   395  O  O   . GLU A 1 50  ? -25.602 22.599 8.824   1.00 17.54 ? 195  GLU A O   1 
ATOM   396  C  CB  . GLU A 1 50  ? -27.533 22.985 6.180   1.00 24.45 ? 195  GLU A CB  1 
ATOM   397  C  CG  . GLU A 1 50  ? -27.664 21.645 5.489   1.00 33.70 ? 195  GLU A CG  1 
ATOM   398  C  CD  . GLU A 1 50  ? -28.491 20.643 6.267   1.00 44.51 ? 195  GLU A CD  1 
ATOM   399  O  OE1 . GLU A 1 50  ? -27.892 19.776 6.949   1.00 46.01 ? 195  GLU A OE1 1 
ATOM   400  O  OE2 . GLU A 1 50  ? -29.740 20.736 6.206   1.00 47.24 ? 195  GLU A OE2 1 
ATOM   401  N  N   . GLU A 1 51  ? -24.829 21.313 7.112   1.00 15.54 ? 196  GLU A N   1 
ATOM   402  C  CA  . GLU A 1 51  ? -24.189 20.364 8.026   1.00 14.15 ? 196  GLU A CA  1 
ATOM   403  C  C   . GLU A 1 51  ? -23.013 21.030 8.736   1.00 13.57 ? 196  GLU A C   1 
ATOM   404  O  O   . GLU A 1 51  ? -22.829 20.872 9.951   1.00 12.54 ? 196  GLU A O   1 
ATOM   405  C  CB  . GLU A 1 51  ? -23.723 19.127 7.269   1.00 14.38 ? 196  GLU A CB  1 
ATOM   406  C  CG  . GLU A 1 51  ? -23.104 18.094 8.182   1.00 13.54 ? 196  GLU A CG  1 
ATOM   407  C  CD  . GLU A 1 51  ? -22.871 16.757 7.513   1.00 13.12 ? 196  GLU A CD  1 
ATOM   408  O  OE1 . GLU A 1 51  ? -22.845 15.736 8.239   1.00 14.11 ? 196  GLU A OE1 1 
ATOM   409  O  OE2 . GLU A 1 51  ? -22.706 16.731 6.271   1.00 15.28 ? 196  GLU A OE2 1 
ATOM   410  N  N   . GLN A 1 52  ? -22.234 21.830 7.991   1.00 12.59 ? 197  GLN A N   1 
ATOM   411  C  CA  . GLN A 1 52  ? -21.114 22.581 8.579   1.00 13.05 ? 197  GLN A CA  1 
ATOM   412  C  C   . GLN A 1 52  ? -21.608 23.486 9.760   1.00 13.58 ? 197  GLN A C   1 
ATOM   413  O  O   . GLN A 1 52  ? -21.006 23.502 10.840  1.00 13.68 ? 197  GLN A O   1 
ATOM   414  C  CB  . GLN A 1 52  ? -20.449 23.445 7.473   1.00 13.61 ? 197  GLN A CB  1 
ATOM   415  C  CG  . GLN A 1 52  ? -19.468 24.518 7.940   1.00 12.82 ? 197  GLN A CG  1 
ATOM   416  C  CD  . GLN A 1 52  ? -18.195 23.900 8.476   1.00 12.99 ? 197  GLN A CD  1 
ATOM   417  O  OE1 . GLN A 1 52  ? -17.716 22.863 7.967   1.00 12.59 ? 197  GLN A OE1 1 
ATOM   418  N  NE2 . GLN A 1 52  ? -17.650 24.525 9.516   1.00 13.42 ? 197  GLN A NE2 1 
ATOM   419  N  N   . LYS A 1 53  ? -22.728 24.204 9.547   1.00 14.43 ? 198  LYS A N   1 
ATOM   420  C  CA  . LYS A 1 53  ? -23.243 25.100 10.589  1.00 15.55 ? 198  LYS A CA  1 
ATOM   421  C  C   . LYS A 1 53  ? -23.761 24.314 11.791  1.00 14.68 ? 198  LYS A C   1 
ATOM   422  O  O   . LYS A 1 53  ? -23.523 24.702 12.946  1.00 15.31 ? 198  LYS A O   1 
ATOM   423  C  CB  . LYS A 1 53  ? -24.312 26.043 10.015  1.00 18.34 ? 198  LYS A CB  1 
ATOM   424  C  CG  . LYS A 1 53  ? -23.742 27.084 9.048   1.00 24.67 ? 198  LYS A CG  1 
ATOM   425  C  CD  . LYS A 1 53  ? -22.810 28.080 9.756   1.00 31.48 ? 198  LYS A CD  1 
ATOM   426  C  CE  . LYS A 1 53  ? -23.563 29.013 10.687  1.00 37.18 ? 198  LYS A CE  1 
ATOM   427  N  NZ  . LYS A 1 53  ? -22.872 30.331 10.836  1.00 39.32 ? 198  LYS A NZ  1 
ATOM   428  N  N   . PHE A 1 54  ? -24.401 23.175 11.525  1.00 14.05 ? 199  PHE A N   1 
ATOM   429  C  CA  . PHE A 1 54  ? -24.884 22.309 12.608  1.00 14.36 ? 199  PHE A CA  1 
ATOM   430  C  C   . PHE A 1 54  ? -23.693 21.831 13.498  1.00 13.83 ? 199  PHE A C   1 
ATOM   431  O  O   . PHE A 1 54  ? -23.749 21.934 14.727  1.00 13.41 ? 199  PHE A O   1 
ATOM   432  C  CB  . PHE A 1 54  ? -25.674 21.111 12.036  1.00 14.59 ? 199  PHE A CB  1 
ATOM   433  C  CG  . PHE A 1 54  ? -25.882 19.998 13.035  1.00 15.92 ? 199  PHE A CG  1 
ATOM   434  C  CD1 . PHE A 1 54  ? -25.048 18.890 13.046  1.00 17.77 ? 199  PHE A CD1 1 
ATOM   435  C  CD2 . PHE A 1 54  ? -26.853 20.099 14.018  1.00 17.05 ? 199  PHE A CD2 1 
ATOM   436  C  CE1 . PHE A 1 54  ? -25.176 17.915 14.018  1.00 19.22 ? 199  PHE A CE1 1 
ATOM   437  C  CE2 . PHE A 1 54  ? -27.004 19.096 14.970  1.00 18.30 ? 199  PHE A CE2 1 
ATOM   438  C  CZ  . PHE A 1 54  ? -26.164 18.011 14.964  1.00 18.50 ? 199  PHE A CZ  1 
ATOM   439  N  N   . VAL A 1 55  ? -22.611 21.332 12.861  1.00 13.48 ? 200  VAL A N   1 
ATOM   440  C  CA  . VAL A 1 55  ? -21.449 20.859 13.622  1.00 13.17 ? 200  VAL A CA  1 
ATOM   441  C  C   . VAL A 1 55  ? -20.813 21.998 14.413  1.00 12.61 ? 200  VAL A C   1 
ATOM   442  O  O   . VAL A 1 55  ? -20.562 21.871 15.609  1.00 12.21 ? 200  VAL A O   1 
ATOM   443  C  CB  . VAL A 1 55  ? -20.433 20.162 12.687  1.00 13.96 ? 200  VAL A CB  1 
ATOM   444  C  CG1 . VAL A 1 55  ? -19.134 19.842 13.438  1.00 15.55 ? 200  VAL A CG1 1 
ATOM   445  C  CG2 . VAL A 1 55  ? -21.032 18.897 12.097  1.00 14.02 ? 200  VAL A CG2 1 
ATOM   446  N  N   . GLN A 1 56  ? -20.639 23.170 13.760  1.00 13.56 ? 201  GLN A N   1 
ATOM   447  C  CA  . GLN A 1 56  ? -20.080 24.356 14.417  1.00 14.88 ? 201  GLN A CA  1 
ATOM   448  C  C   . GLN A 1 56  ? -20.860 24.737 15.667  1.00 15.21 ? 201  GLN A C   1 
ATOM   449  O  O   . GLN A 1 56  ? -20.266 25.086 16.698  1.00 16.80 ? 201  GLN A O   1 
ATOM   450  C  CB  . GLN A 1 56  ? -20.124 25.560 13.465  1.00 18.28 ? 201  GLN A CB  1 
ATOM   451  C  CG  . GLN A 1 56  ? -18.892 25.708 12.636  1.00 22.60 ? 201  GLN A CG  1 
ATOM   452  C  CD  . GLN A 1 56  ? -18.952 26.972 11.794  1.00 26.06 ? 201  GLN A CD  1 
ATOM   453  O  OE1 . GLN A 1 56  ? -18.929 26.932 10.561  1.00 24.14 ? 201  GLN A OE1 1 
ATOM   454  N  NE2 . GLN A 1 56  ? -19.018 28.120 12.461  1.00 28.23 ? 201  GLN A NE2 1 
ATOM   455  N  N   . HIS A 1 57  ? -22.213 24.649 15.602  1.00 14.49 ? 202  HIS A N   1 
ATOM   456  C  CA  . HIS A 1 57  ? -23.024 24.991 16.770  1.00 14.87 ? 202  HIS A CA  1 
ATOM   457  C  C   . HIS A 1 57  ? -22.671 24.110 17.972  1.00 14.89 ? 202  HIS A C   1 
ATOM   458  O  O   . HIS A 1 57  ? -22.586 24.603 19.095  1.00 15.85 ? 202  HIS A O   1 
ATOM   459  C  CB  . HIS A 1 57  ? -24.519 24.872 16.430  1.00 15.44 ? 202  HIS A CB  1 
ATOM   460  C  CG  . HIS A 1 57  ? -25.418 24.936 17.631  1.00 17.91 ? 202  HIS A CG  1 
ATOM   461  N  ND1 . HIS A 1 57  ? -25.931 26.138 18.083  1.00 20.88 ? 202  HIS A ND1 1 
ATOM   462  C  CD2 . HIS A 1 57  ? -25.813 23.949 18.468  1.00 18.85 ? 202  HIS A CD2 1 
ATOM   463  C  CE1 . HIS A 1 57  ? -26.624 25.846 19.170  1.00 21.63 ? 202  HIS A CE1 1 
ATOM   464  N  NE2 . HIS A 1 57  ? -26.594 24.540 19.436  1.00 20.92 ? 202  HIS A NE2 1 
ATOM   465  N  N   . HIS A 1 58  ? -22.469 22.799 17.729  1.00 13.83 ? 203  HIS A N   1 
ATOM   466  C  CA  . HIS A 1 58  ? -22.213 21.872 18.828  1.00 12.73 ? 203  HIS A CA  1 
ATOM   467  C  C   . HIS A 1 58  ? -20.769 21.776 19.293  1.00 12.97 ? 203  HIS A C   1 
ATOM   468  O  O   . HIS A 1 58  ? -20.541 21.328 20.428  1.00 14.06 ? 203  HIS A O   1 
ATOM   469  C  CB  . HIS A 1 58  ? -22.726 20.489 18.477  1.00 13.29 ? 203  HIS A CB  1 
ATOM   470  C  CG  . HIS A 1 58  ? -24.209 20.373 18.624  1.00 14.47 ? 203  HIS A CG  1 
ATOM   471  N  ND1 . HIS A 1 58  ? -25.055 20.426 17.531  1.00 16.58 ? 203  HIS A ND1 1 
ATOM   472  C  CD2 . HIS A 1 58  ? -24.944 20.225 19.745  1.00 15.22 ? 203  HIS A CD2 1 
ATOM   473  C  CE1 . HIS A 1 58  ? -26.285 20.318 18.028  1.00 15.55 ? 203  HIS A CE1 1 
ATOM   474  N  NE2 . HIS A 1 58  ? -26.263 20.176 19.353  1.00 16.75 ? 203  HIS A NE2 1 
ATOM   475  N  N   . ILE A 1 59  ? -19.800 22.116 18.437  1.00 12.06 ? 204  ILE A N   1 
ATOM   476  C  CA  . ILE A 1 59  ? -18.402 22.024 18.885  1.00 12.68 ? 204  ILE A CA  1 
ATOM   477  C  C   . ILE A 1 59  ? -17.908 23.315 19.531  1.00 13.44 ? 204  ILE A C   1 
ATOM   478  O  O   . ILE A 1 59  ? -17.015 23.273 20.387  1.00 14.41 ? 204  ILE A O   1 
ATOM   479  C  CB  . ILE A 1 59  ? -17.451 21.542 17.768  1.00 12.97 ? 204  ILE A CB  1 
ATOM   480  C  CG1 . ILE A 1 59  ? -17.417 22.531 16.621  1.00 12.78 ? 204  ILE A CG1 1 
ATOM   481  C  CG2 . ILE A 1 59  ? -17.802 20.142 17.297  1.00 14.00 ? 204  ILE A CG2 1 
ATOM   482  C  CD1 . ILE A 1 59  ? -16.294 22.219 15.605  1.00 13.32 ? 204  ILE A CD1 1 
ATOM   483  N  N   . GLY A 1 60  ? -18.467 24.451 19.129  1.00 13.62 ? 205  GLY A N   1 
ATOM   484  C  CA  . GLY A 1 60  ? -18.018 25.728 19.665  1.00 14.26 ? 205  GLY A CA  1 
ATOM   485  C  C   . GLY A 1 60  ? -16.654 26.096 19.108  1.00 15.82 ? 205  GLY A C   1 
ATOM   486  O  O   . GLY A 1 60  ? -16.209 25.542 18.090  1.00 16.37 ? 205  GLY A O   1 
ATOM   487  N  N   . PRO A 1 61  ? -15.948 27.017 19.774  1.00 16.20 ? 206  PRO A N   1 
ATOM   488  C  CA  . PRO A 1 61  ? -14.657 27.492 19.237  1.00 16.41 ? 206  PRO A CA  1 
ATOM   489  C  C   . PRO A 1 61  ? -13.481 26.594 19.616  1.00 15.35 ? 206  PRO A C   1 
ATOM   490  O  O   . PRO A 1 61  ? -12.539 27.036 20.267  1.00 16.34 ? 206  PRO A O   1 
ATOM   491  C  CB  . PRO A 1 61  ? -14.523 28.881 19.892  1.00 17.99 ? 206  PRO A CB  1 
ATOM   492  C  CG  . PRO A 1 61  ? -15.155 28.679 21.262  1.00 18.61 ? 206  PRO A CG  1 
ATOM   493  C  CD  . PRO A 1 61  ? -16.346 27.768 20.989  1.00 16.74 ? 206  PRO A CD  1 
ATOM   494  N  N   . VAL A 1 62  ? -13.519 25.317 19.181  1.00 13.67 ? 207  VAL A N   1 
ATOM   495  C  CA  . VAL A 1 62  ? -12.545 24.342 19.616  1.00 13.03 ? 207  VAL A CA  1 
ATOM   496  C  C   . VAL A 1 62  ? -12.024 23.548 18.409  1.00 10.71 ? 207  VAL A C   1 
ATOM   497  O  O   . VAL A 1 62  ? -12.845 23.081 17.610  1.00 10.43 ? 207  VAL A O   1 
ATOM   498  C  CB  . VAL A 1 62  ? -13.286 23.378 20.588  1.00 14.82 ? 207  VAL A CB  1 
ATOM   499  C  CG1 . VAL A 1 62  ? -12.388 22.239 21.037  1.00 15.65 ? 207  VAL A CG1 1 
ATOM   500  C  CG2 . VAL A 1 62  ? -13.842 24.128 21.800  1.00 15.31 ? 207  VAL A CG2 1 
ATOM   501  N  N   . ASN A 1 63  ? -10.702 23.333 18.315  1.00 9.64  ? 208  ASN A N   1 
ATOM   502  C  CA  . ASN A 1 63  ? -10.111 22.510 17.251  1.00 9.54  ? 208  ASN A CA  1 
ATOM   503  C  C   . ASN A 1 63  ? -10.655 21.097 17.358  1.00 8.76  ? 208  ASN A C   1 
ATOM   504  O  O   . ASN A 1 63  ? -10.606 20.517 18.433  1.00 9.85  ? 208  ASN A O   1 
ATOM   505  C  CB  . ASN A 1 63  ? -8.611  22.479 17.418  1.00 10.04 ? 208  ASN A CB  1 
ATOM   506  C  CG  . ASN A 1 63  ? -7.944  23.780 17.069  1.00 12.72 ? 208  ASN A CG  1 
ATOM   507  O  OD1 . ASN A 1 63  ? -7.017  24.235 17.776  1.00 17.97 ? 208  ASN A OD1 1 
ATOM   508  N  ND2 . ASN A 1 63  ? -8.340  24.359 15.984  1.00 9.70  ? 208  ASN A ND2 1 
ATOM   509  N  N   . THR A 1 64  ? -11.258 20.587 16.279  1.00 6.96  ? 209  THR A N   1 
ATOM   510  C  CA  . THR A 1 64  ? -11.955 19.309 16.335  1.00 7.22  ? 209  THR A CA  1 
ATOM   511  C  C   . THR A 1 64  ? -11.761 18.502 15.043  1.00 7.48  ? 209  THR A C   1 
ATOM   512  O  O   . THR A 1 64  ? -11.990 19.020 13.945  1.00 8.52  ? 209  THR A O   1 
ATOM   513  C  CB  . THR A 1 64  ? -13.448 19.631 16.454  1.00 8.37  ? 209  THR A CB  1 
ATOM   514  O  OG1 . THR A 1 64  ? -13.665 20.418 17.646  1.00 9.00  ? 209  THR A OG1 1 
ATOM   515  C  CG2 . THR A 1 64  ? -14.295 18.390 16.508  1.00 9.81  ? 209  THR A CG2 1 
ATOM   516  N  N   . TRP A 1 65  ? -11.261 17.283 15.157  1.00 7.24  ? 210  TRP A N   1 
ATOM   517  C  CA  . TRP A 1 65  ? -11.021 16.438 13.992  1.00 7.44  ? 210  TRP A CA  1 
ATOM   518  C  C   . TRP A 1 65  ? -12.271 16.119 13.212  1.00 7.49  ? 210  TRP A C   1 
ATOM   519  O  O   . TRP A 1 65  ? -13.328 15.879 13.787  1.00 7.20  ? 210  TRP A O   1 
ATOM   520  C  CB  . TRP A 1 65  ? -10.366 15.108 14.422  1.00 7.15  ? 210  TRP A CB  1 
ATOM   521  C  CG  . TRP A 1 65  ? -8.978  15.191 14.974  1.00 7.34  ? 210  TRP A CG  1 
ATOM   522  C  CD1 . TRP A 1 65  ? -8.535  14.645 16.148  1.00 7.27  ? 210  TRP A CD1 1 
ATOM   523  C  CD2 . TRP A 1 65  ? -7.821  15.761 14.329  1.00 6.78  ? 210  TRP A CD2 1 
ATOM   524  N  NE1 . TRP A 1 65  ? -7.172  14.839 16.272  1.00 7.30  ? 210  TRP A NE1 1 
ATOM   525  C  CE2 . TRP A 1 65  ? -6.714  15.522 15.166  1.00 7.10  ? 210  TRP A CE2 1 
ATOM   526  C  CE3 . TRP A 1 65  ? -7.618  16.419 13.119  1.00 7.08  ? 210  TRP A CE3 1 
ATOM   527  C  CZ2 . TRP A 1 65  ? -5.423  15.930 14.827  1.00 7.95  ? 210  TRP A CZ2 1 
ATOM   528  C  CZ3 . TRP A 1 65  ? -6.352  16.858 12.798  1.00 7.38  ? 210  TRP A CZ3 1 
ATOM   529  C  CH2 . TRP A 1 65  ? -5.261  16.565 13.617  1.00 7.60  ? 210  TRP A CH2 1 
ATOM   530  N  N   . MET A 1 66  ? -12.138 16.037 11.894  1.00 6.99  ? 211  MET A N   1 
ATOM   531  C  CA  . MET A 1 66  ? -13.182 15.539 11.020  1.00 7.09  ? 211  MET A CA  1 
ATOM   532  C  C   . MET A 1 66  ? -12.609 14.331 10.198  1.00 7.76  ? 211  MET A C   1 
ATOM   533  O  O   . MET A 1 66  ? -11.410 14.059 10.223  1.00 7.59  ? 211  MET A O   1 
ATOM   534  C  CB  . MET A 1 66  ? -13.744 16.631 10.092  1.00 7.81  ? 211  MET A CB  1 
ATOM   535  C  CG  . MET A 1 66  ? -12.803 16.930 8.925   1.00 10.39 ? 211  MET A CG  1 
ATOM   536  S  SD  . MET A 1 66  ? -13.393 18.352 7.988   1.00 10.77 ? 211  MET A SD  1 
ATOM   537  C  CE  . MET A 1 66  ? -12.994 19.611 9.150   1.00 10.85 ? 211  MET A CE  1 
ATOM   538  N  N   . GLY A 1 67  ? -13.473 13.666 9.451   1.00 8.56  ? 212  GLY A N   1 
ATOM   539  C  CA  . GLY A 1 67  ? -13.087 12.470 8.724   1.00 9.10  ? 212  GLY A CA  1 
ATOM   540  C  C   . GLY A 1 67  ? -12.468 12.761 7.376   1.00 9.61  ? 212  GLY A C   1 
ATOM   541  O  O   . GLY A 1 67  ? -12.857 12.148 6.388   1.00 10.63 ? 212  GLY A O   1 
ATOM   542  N  N   . LEU A 1 68  ? -11.487 13.667 7.318   1.00 9.18  ? 213  LEU A N   1 
ATOM   543  C  CA  . LEU A 1 68  ? -10.860 14.051 6.042   1.00 9.00  ? 213  LEU A CA  1 
ATOM   544  C  C   . LEU A 1 68  ? -9.353  14.053 6.251   1.00 8.91  ? 213  LEU A C   1 
ATOM   545  O  O   . LEU A 1 68  ? -8.859  14.652 7.213   1.00 8.74  ? 213  LEU A O   1 
ATOM   546  C  CB  . LEU A 1 68  ? -11.337 15.461 5.682   1.00 9.24  ? 213  LEU A CB  1 
ATOM   547  C  CG  . LEU A 1 68  ? -10.701 16.158 4.474   1.00 9.97  ? 213  LEU A CG  1 
ATOM   548  C  CD1 . LEU A 1 68  ? -10.909 15.363 3.170   1.00 10.13 ? 213  LEU A CD1 1 
ATOM   549  C  CD2 . LEU A 1 68  ? -11.221 17.623 4.329   1.00 10.88 ? 213  LEU A CD2 1 
ATOM   550  N  N   . HIS A 1 69  ? -8.610  13.358 5.371   1.00 9.24  ? 214  HIS A N   1 
ATOM   551  C  CA  . HIS A 1 69  ? -7.170  13.277 5.553   1.00 9.38  ? 214  HIS A CA  1 
ATOM   552  C  C   . HIS A 1 69  ? -6.482  13.049 4.216   1.00 9.71  ? 214  HIS A C   1 
ATOM   553  O  O   . HIS A 1 69  ? -7.124  12.612 3.262   1.00 9.47  ? 214  HIS A O   1 
ATOM   554  C  CB  . HIS A 1 69  ? -6.869  12.101 6.498   1.00 10.57 ? 214  HIS A CB  1 
ATOM   555  C  CG  . HIS A 1 69  ? -6.970  10.765 5.823   1.00 12.68 ? 214  HIS A CG  1 
ATOM   556  N  ND1 . HIS A 1 69  ? -8.145  10.038 5.799   1.00 16.51 ? 214  HIS A ND1 1 
ATOM   557  C  CD2 . HIS A 1 69  ? -6.038  10.107 5.099   1.00 14.06 ? 214  HIS A CD2 1 
ATOM   558  C  CE1 . HIS A 1 69  ? -7.870  8.935  5.107   1.00 16.76 ? 214  HIS A CE1 1 
ATOM   559  N  NE2 . HIS A 1 69  ? -6.618  8.937  4.663   1.00 17.94 ? 214  HIS A NE2 1 
ATOM   560  N  N   . ASP A 1 70  ? -5.161  13.263 4.177   1.00 9.45  ? 215  ASP A N   1 
ATOM   561  C  CA  . ASP A 1 70  ? -4.391  12.959 2.950   1.00 9.28  ? 215  ASP A CA  1 
ATOM   562  C  C   . ASP A 1 70  ? -3.138  12.140 3.321   1.00 9.85  ? 215  ASP A C   1 
ATOM   563  O  O   . ASP A 1 70  ? -2.060  12.346 2.750   1.00 9.65  ? 215  ASP A O   1 
ATOM   564  C  CB  . ASP A 1 70  ? -4.015  14.233 2.175   1.00 8.89  ? 215  ASP A CB  1 
ATOM   565  C  CG  . ASP A 1 70  ? -2.948  15.100 2.807   1.00 9.87  ? 215  ASP A CG  1 
ATOM   566  O  OD1 . ASP A 1 70  ? -2.704  14.951 4.001   1.00 10.23 ? 215  ASP A OD1 1 
ATOM   567  O  OD2 . ASP A 1 70  ? -2.335  15.936 2.080   1.00 12.45 ? 215  ASP A OD2 1 
ATOM   568  N  N   A GLN A 1 71  ? -3.270  11.208 4.266   0.46 9.76  ? 216  GLN A N   1 
ATOM   569  N  N   B GLN A 1 71  ? -3.280  11.201 4.261   0.54 9.47  ? 216  GLN A N   1 
ATOM   570  C  CA  A GLN A 1 71  ? -2.135  10.417 4.741   0.46 10.93 ? 216  GLN A CA  1 
ATOM   571  C  CA  B GLN A 1 71  ? -2.164  10.393 4.754   0.54 10.52 ? 216  GLN A CA  1 
ATOM   572  C  C   A GLN A 1 71  ? -1.494  9.507  3.689   0.46 12.83 ? 216  GLN A C   1 
ATOM   573  C  C   B GLN A 1 71  ? -1.505  9.498  3.699   0.54 12.66 ? 216  GLN A C   1 
ATOM   574  O  O   A GLN A 1 71  ? -0.292  9.247  3.769   0.46 13.87 ? 216  GLN A O   1 
ATOM   575  O  O   B GLN A 1 71  ? -0.304  9.233  3.796   0.54 13.86 ? 216  GLN A O   1 
ATOM   576  C  CB  A GLN A 1 71  ? -2.544  9.573  5.951   0.46 12.08 ? 216  GLN A CB  1 
ATOM   577  C  CB  B GLN A 1 71  ? -2.624  9.514  5.925   0.54 11.33 ? 216  GLN A CB  1 
ATOM   578  C  CG  A GLN A 1 71  ? -3.034  10.413 7.099   0.46 14.07 ? 216  GLN A CG  1 
ATOM   579  C  CG  B GLN A 1 71  ? -3.086  10.318 7.115   0.54 12.69 ? 216  GLN A CG  1 
ATOM   580  C  CD  A GLN A 1 71  ? -3.640  9.548  8.164   0.46 17.78 ? 216  GLN A CD  1 
ATOM   581  C  CD  B GLN A 1 71  ? -4.012  9.536  8.023   0.54 15.97 ? 216  GLN A CD  1 
ATOM   582  O  OE1 A GLN A 1 71  ? -4.852  9.325  8.196   0.46 19.58 ? 216  GLN A OE1 1 
ATOM   583  O  OE1 B GLN A 1 71  ? -4.037  8.299  8.028   0.54 16.98 ? 216  GLN A OE1 1 
ATOM   584  N  NE2 A GLN A 1 71  ? -2.808  9.030  9.039   0.46 17.96 ? 216  GLN A NE2 1 
ATOM   585  N  NE2 B GLN A 1 71  ? -4.800  10.255 8.806   0.54 16.23 ? 216  GLN A NE2 1 
ATOM   586  N  N   . ASN A 1 72  ? -2.285  8.999  2.750   1.00 14.03 ? 217  ASN A N   1 
ATOM   587  C  CA  . ASN A 1 72  ? -1.746  8.074  1.719   1.00 17.20 ? 217  ASN A CA  1 
ATOM   588  C  C   . ASN A 1 72  ? -1.687  8.647  0.325   1.00 18.74 ? 217  ASN A C   1 
ATOM   589  O  O   . ASN A 1 72  ? -1.530  7.890  -0.639  1.00 20.10 ? 217  ASN A O   1 
ATOM   590  C  CB  . ASN A 1 72  ? -2.594  6.814  1.644   1.00 20.90 ? 217  ASN A CB  1 
ATOM   591  C  CG  . ASN A 1 72  ? -2.790  6.163  2.969   1.00 27.49 ? 217  ASN A CG  1 
ATOM   592  O  OD1 . ASN A 1 72  ? -3.930  6.004  3.439   1.00 30.17 ? 217  ASN A OD1 1 
ATOM   593  N  ND2 . ASN A 1 72  ? -1.686  5.833  3.617   1.00 28.84 ? 217  ASN A ND2 1 
ATOM   594  N  N   . GLY A 1 73  ? -1.789  9.959  0.211   1.00 18.22 ? 218  GLY A N   1 
ATOM   595  C  CA  . GLY A 1 73  ? -1.767  10.592 -1.089  1.00 19.41 ? 218  GLY A CA  1 
ATOM   596  C  C   . GLY A 1 73  ? -2.739  11.735 -1.122  1.00 19.24 ? 218  GLY A C   1 
ATOM   597  O  O   . GLY A 1 73  ? -2.536  12.718 -0.431  1.00 20.64 ? 218  GLY A O   1 
ATOM   598  N  N   . PRO A 1 74  ? -3.726  11.675 -1.989  1.00 18.34 ? 219  PRO A N   1 
ATOM   599  C  CA  . PRO A 1 74  ? -4.658  12.799 -2.114  1.00 16.82 ? 219  PRO A CA  1 
ATOM   600  C  C   . PRO A 1 74  ? -5.682  12.849 -0.979  1.00 14.93 ? 219  PRO A C   1 
ATOM   601  O  O   . PRO A 1 74  ? -5.846  11.874 -0.245  1.00 14.93 ? 219  PRO A O   1 
ATOM   602  C  CB  . PRO A 1 74  ? -5.330  12.517 -3.451  1.00 18.75 ? 219  PRO A CB  1 
ATOM   603  C  CG  . PRO A 1 74  ? -5.375  11.013 -3.491  1.00 20.22 ? 219  PRO A CG  1 
ATOM   604  C  CD  . PRO A 1 74  ? -4.052  10.586 -2.927  1.00 18.92 ? 219  PRO A CD  1 
ATOM   605  N  N   . TRP A 1 75  ? -6.360  13.996 -0.837  1.00 12.92 ? 220  TRP A N   1 
ATOM   606  C  CA  . TRP A 1 75  ? -7.425  14.145 0.166   1.00 11.81 ? 220  TRP A CA  1 
ATOM   607  C  C   . TRP A 1 75  ? -8.535  13.131 -0.029  1.00 11.78 ? 220  TRP A C   1 
ATOM   608  O  O   . TRP A 1 75  ? -9.004  12.922 -1.159  1.00 11.76 ? 220  TRP A O   1 
ATOM   609  C  CB  . TRP A 1 75  ? -8.013  15.564 0.115   1.00 11.11 ? 220  TRP A CB  1 
ATOM   610  C  CG  . TRP A 1 75  ? -7.069  16.574 0.679   1.00 10.94 ? 220  TRP A CG  1 
ATOM   611  C  CD1 . TRP A 1 75  ? -6.261  17.429 -0.016  1.00 12.01 ? 220  TRP A CD1 1 
ATOM   612  C  CD2 . TRP A 1 75  ? -6.749  16.754 2.067   1.00 10.42 ? 220  TRP A CD2 1 
ATOM   613  N  NE1 . TRP A 1 75  ? -5.476  18.146 0.853   1.00 12.12 ? 220  TRP A NE1 1 
ATOM   614  C  CE2 . TRP A 1 75  ? -5.741  17.742 2.139   1.00 11.30 ? 220  TRP A CE2 1 
ATOM   615  C  CE3 . TRP A 1 75  ? -7.216  16.178 3.253   1.00 10.33 ? 220  TRP A CE3 1 
ATOM   616  C  CZ2 . TRP A 1 75  ? -5.183  18.144 3.352   1.00 10.92 ? 220  TRP A CZ2 1 
ATOM   617  C  CZ3 . TRP A 1 75  ? -6.688  16.610 4.455   1.00 10.78 ? 220  TRP A CZ3 1 
ATOM   618  C  CH2 . TRP A 1 75  ? -5.663  17.559 4.493   1.00 11.20 ? 220  TRP A CH2 1 
ATOM   619  N  N   . LYS A 1 76  ? -8.961  12.504 1.075   1.00 11.19 ? 221  LYS A N   1 
ATOM   620  C  CA  . LYS A 1 76  ? -10.044 11.536 1.034   1.00 11.26 ? 221  LYS A CA  1 
ATOM   621  C  C   . LYS A 1 76  ? -10.918 11.691 2.264   1.00 10.84 ? 221  LYS A C   1 
ATOM   622  O  O   . LYS A 1 76  ? -10.394 11.896 3.361   1.00 10.75 ? 221  LYS A O   1 
ATOM   623  C  CB  . LYS A 1 76  ? -9.470  10.117 1.121   1.00 14.07 ? 221  LYS A CB  1 
ATOM   624  C  CG  . LYS A 1 76  ? -8.695  9.685  -0.116  1.00 21.11 ? 221  LYS A CG  1 
ATOM   625  C  CD  . LYS A 1 76  ? -8.050  8.328  0.094   1.00 29.03 ? 221  LYS A CD  1 
ATOM   626  C  CE  . LYS A 1 76  ? -7.217  7.914  -1.101  1.00 35.34 ? 221  LYS A CE  1 
ATOM   627  N  NZ  . LYS A 1 76  ? -6.380  6.719  -0.790  1.00 39.25 ? 221  LYS A NZ  1 
ATOM   628  N  N   . TRP A 1 77  ? -12.218 11.470 2.109   1.00 11.30 ? 222  TRP A N   1 
ATOM   629  C  CA  . TRP A 1 77  ? -13.144 11.430 3.245   1.00 11.52 ? 222  TRP A CA  1 
ATOM   630  C  C   . TRP A 1 77  ? -13.198 9.965  3.674   1.00 12.08 ? 222  TRP A C   1 
ATOM   631  O  O   . TRP A 1 77  ? -13.184 9.072  2.832   1.00 13.08 ? 222  TRP A O   1 
ATOM   632  C  CB  . TRP A 1 77  ? -14.548 11.892 2.846   1.00 11.46 ? 222  TRP A CB  1 
ATOM   633  C  CG  . TRP A 1 77  ? -14.671 13.369 2.616   1.00 11.27 ? 222  TRP A CG  1 
ATOM   634  C  CD1 . TRP A 1 77  ? -14.677 14.017 1.416   1.00 11.84 ? 222  TRP A CD1 1 
ATOM   635  C  CD2 . TRP A 1 77  ? -14.816 14.381 3.625   1.00 10.22 ? 222  TRP A CD2 1 
ATOM   636  N  NE1 . TRP A 1 77  ? -14.836 15.370 1.608   1.00 12.10 ? 222  TRP A NE1 1 
ATOM   637  C  CE2 . TRP A 1 77  ? -14.895 15.625 2.964   1.00 10.94 ? 222  TRP A CE2 1 
ATOM   638  C  CE3 . TRP A 1 77  ? -14.850 14.357 5.028   1.00 9.76  ? 222  TRP A CE3 1 
ATOM   639  C  CZ2 . TRP A 1 77  ? -15.053 16.829 3.650   1.00 11.04 ? 222  TRP A CZ2 1 
ATOM   640  C  CZ3 . TRP A 1 77  ? -15.038 15.546 5.704   1.00 9.91  ? 222  TRP A CZ3 1 
ATOM   641  C  CH2 . TRP A 1 77  ? -15.131 16.766 5.026   1.00 10.12 ? 222  TRP A CH2 1 
ATOM   642  N  N   . VAL A 1 78  ? -13.317 9.701  4.972   1.00 11.63 ? 223  VAL A N   1 
ATOM   643  C  CA  . VAL A 1 78  ? -13.225 8.347  5.502   1.00 13.86 ? 223  VAL A CA  1 
ATOM   644  C  C   . VAL A 1 78  ? -14.279 7.373  4.993   1.00 16.29 ? 223  VAL A C   1 
ATOM   645  O  O   . VAL A 1 78  ? -14.039 6.155  5.050   1.00 18.52 ? 223  VAL A O   1 
ATOM   646  C  CB  . VAL A 1 78  ? -13.202 8.355  7.034   1.00 14.16 ? 223  VAL A CB  1 
ATOM   647  C  CG1 . VAL A 1 78  ? -11.945 9.054  7.550   1.00 14.72 ? 223  VAL A CG1 1 
ATOM   648  C  CG2 . VAL A 1 78  ? -14.467 9.005  7.588   1.00 14.13 ? 223  VAL A CG2 1 
ATOM   649  N  N   . ASP A 1 79  ? -15.414 7.878  4.520   1.00 16.09 ? 224  ASP A N   1 
ATOM   650  C  CA  . ASP A 1 79  ? -16.459 6.977  4.029   1.00 17.89 ? 224  ASP A CA  1 
ATOM   651  C  C   . ASP A 1 79  ? -16.493 6.829  2.496   1.00 19.42 ? 224  ASP A C   1 
ATOM   652  O  O   . ASP A 1 79  ? -17.482 6.331  1.959   1.00 20.26 ? 224  ASP A O   1 
ATOM   653  C  CB  . ASP A 1 79  ? -17.832 7.411  4.556   1.00 19.27 ? 224  ASP A CB  1 
ATOM   654  C  CG  . ASP A 1 79  ? -18.357 8.701  3.983   1.00 22.98 ? 224  ASP A CG  1 
ATOM   655  O  OD1 . ASP A 1 79  ? -17.591 9.397  3.262   1.00 21.48 ? 224  ASP A OD1 1 
ATOM   656  O  OD2 . ASP A 1 79  ? -19.538 9.020  4.235   1.00 26.49 ? 224  ASP A OD2 1 
ATOM   657  N  N   . GLY A 1 80  ? -15.471 7.313  1.805   1.00 18.93 ? 225  GLY A N   1 
ATOM   658  C  CA  . GLY A 1 80  ? -15.426 7.226  0.351   1.00 19.10 ? 225  GLY A CA  1 
ATOM   659  C  C   . GLY A 1 80  ? -16.065 8.389  -0.380  1.00 19.86 ? 225  GLY A C   1 
ATOM   660  O  O   . GLY A 1 80  ? -15.977 8.453  -1.612  1.00 20.77 ? 225  GLY A O   1 
ATOM   661  N  N   . THR A 1 81  ? -16.699 9.354  0.343   1.00 18.91 ? 226  THR A N   1 
ATOM   662  C  CA  . THR A 1 81  ? -17.296 10.534 -0.304  1.00 19.69 ? 226  THR A CA  1 
ATOM   663  C  C   . THR A 1 81  ? -16.212 11.285 -1.109  1.00 19.50 ? 226  THR A C   1 
ATOM   664  O  O   . THR A 1 81  ? -15.093 11.430 -0.615  1.00 19.57 ? 226  THR A O   1 
ATOM   665  C  CB  . THR A 1 81  ? -17.893 11.464 0.763   1.00 21.16 ? 226  THR A CB  1 
ATOM   666  O  OG1 . THR A 1 81  ? -18.949 10.788 1.459   1.00 22.14 ? 226  THR A OG1 1 
ATOM   667  C  CG2 . THR A 1 81  ? -18.396 12.764 0.191   1.00 21.96 ? 226  THR A CG2 1 
ATOM   668  N  N   . ASP A 1 82  ? -16.498 11.657 -2.366  1.00 19.39 ? 227  ASP A N   1 
ATOM   669  C  CA  . ASP A 1 82  ? -15.493 12.305 -3.205  1.00 20.01 ? 227  ASP A CA  1 
ATOM   670  C  C   . ASP A 1 82  ? -15.111 13.679 -2.675  1.00 19.19 ? 227  ASP A C   1 
ATOM   671  O  O   . ASP A 1 82  ? -15.990 14.498 -2.405  1.00 20.44 ? 227  ASP A O   1 
ATOM   672  C  CB  . ASP A 1 82  ? -16.000 12.422 -4.644  1.00 23.07 ? 227  ASP A CB  1 
ATOM   673  C  CG  . ASP A 1 82  ? -14.952 12.960 -5.591  1.00 30.32 ? 227  ASP A CG  1 
ATOM   674  O  OD1 . ASP A 1 82  ? -13.873 12.351 -5.683  1.00 32.10 ? 227  ASP A OD1 1 
ATOM   675  O  OD2 . ASP A 1 82  ? -15.203 14.000 -6.219  1.00 34.20 ? 227  ASP A OD2 1 
ATOM   676  N  N   . TYR A 1 83  ? -13.803 13.933 -2.544  1.00 17.71 ? 228  TYR A N   1 
ATOM   677  C  CA  . TYR A 1 83  ? -13.345 15.212 -2.039  1.00 16.92 ? 228  TYR A CA  1 
ATOM   678  C  C   . TYR A 1 83  ? -13.463 16.315 -3.089  1.00 17.74 ? 228  TYR A C   1 
ATOM   679  O  O   . TYR A 1 83  ? -14.010 17.395 -2.809  1.00 16.20 ? 228  TYR A O   1 
ATOM   680  C  CB  . TYR A 1 83  ? -11.899 15.108 -1.495  1.00 16.04 ? 228  TYR A CB  1 
ATOM   681  C  CG  . TYR A 1 83  ? -11.247 16.458 -1.243  1.00 15.15 ? 228  TYR A CG  1 
ATOM   682  C  CD1 . TYR A 1 83  ? -10.382 17.027 -2.177  1.00 15.71 ? 228  TYR A CD1 1 
ATOM   683  C  CD2 . TYR A 1 83  ? -11.543 17.192 -0.105  1.00 14.79 ? 228  TYR A CD2 1 
ATOM   684  C  CE1 . TYR A 1 83  ? -9.806  18.270 -1.962  1.00 15.87 ? 228  TYR A CE1 1 
ATOM   685  C  CE2 . TYR A 1 83  ? -10.979 18.437 0.115   1.00 14.51 ? 228  TYR A CE2 1 
ATOM   686  C  CZ  . TYR A 1 83  ? -10.086 18.964 -0.799  1.00 16.21 ? 228  TYR A CZ  1 
ATOM   687  O  OH  . TYR A 1 83  ? -9.528  20.192 -0.559  1.00 17.72 ? 228  TYR A OH  1 
ATOM   688  N  N   A GLU A 1 84  ? -12.914 16.062 -4.282  0.60 18.16 ? 229  GLU A N   1 
ATOM   689  N  N   B GLU A 1 84  ? -12.914 16.057 -4.296  0.40 18.29 ? 229  GLU A N   1 
ATOM   690  C  CA  A GLU A 1 84  ? -12.839 17.060 -5.336  0.60 19.63 ? 229  GLU A CA  1 
ATOM   691  C  CA  B GLU A 1 84  ? -12.844 17.015 -5.403  0.40 19.69 ? 229  GLU A CA  1 
ATOM   692  C  C   A GLU A 1 84  ? -14.157 17.749 -5.664  0.60 20.52 ? 229  GLU A C   1 
ATOM   693  C  C   B GLU A 1 84  ? -14.145 17.731 -5.712  0.40 20.47 ? 229  GLU A C   1 
ATOM   694  O  O   A GLU A 1 84  ? -14.193 18.981 -5.753  0.60 21.46 ? 229  GLU A O   1 
ATOM   695  O  O   B GLU A 1 84  ? -14.157 18.956 -5.857  0.40 21.16 ? 229  GLU A O   1 
ATOM   696  C  CB  A GLU A 1 84  ? -12.220 16.455 -6.595  0.60 21.32 ? 229  GLU A CB  1 
ATOM   697  C  CB  B GLU A 1 84  ? -12.304 16.340 -6.674  0.40 21.77 ? 229  GLU A CB  1 
ATOM   698  C  CG  A GLU A 1 84  ? -11.663 17.522 -7.506  0.60 24.02 ? 229  GLU A CG  1 
ATOM   699  C  CG  B GLU A 1 84  ? -10.852 15.940 -6.562  0.40 25.81 ? 229  GLU A CG  1 
ATOM   700  C  CD  A GLU A 1 84  ? -10.732 16.993 -8.572  0.60 24.56 ? 229  GLU A CD  1 
ATOM   701  C  CD  B GLU A 1 84  ? -10.626 14.469 -6.297  0.40 29.74 ? 229  GLU A CD  1 
ATOM   702  O  OE1 A GLU A 1 84  ? -10.178 15.881 -8.392  0.60 22.46 ? 229  GLU A OE1 1 
ATOM   703  O  OE1 B GLU A 1 84  ? -11.128 13.960 -5.267  0.40 29.67 ? 229  GLU A OE1 1 
ATOM   704  O  OE2 A GLU A 1 84  ? -10.542 17.710 -9.581  0.60 23.24 ? 229  GLU A OE2 1 
ATOM   705  O  OE2 B GLU A 1 84  ? -9.919  13.828 -7.110  0.40 30.34 ? 229  GLU A OE2 1 
ATOM   706  N  N   . THR A 1 85  ? -15.232 16.979 -5.811  1.00 20.55 ? 230  THR A N   1 
ATOM   707  C  CA  . THR A 1 85  ? -16.530 17.554 -6.128  1.00 21.92 ? 230  THR A CA  1 
ATOM   708  C  C   . THR A 1 85  ? -17.407 17.864 -4.928  1.00 22.24 ? 230  THR A C   1 
ATOM   709  O  O   . THR A 1 85  ? -18.570 18.216 -5.124  1.00 23.37 ? 230  THR A O   1 
ATOM   710  C  CB  . THR A 1 85  ? -17.279 16.621 -7.037  1.00 24.38 ? 230  THR A CB  1 
ATOM   711  O  OG1 . THR A 1 85  ? -17.428 15.370 -6.352  1.00 25.35 ? 230  THR A OG1 1 
ATOM   712  C  CG2 . THR A 1 85  ? -16.553 16.418 -8.365  1.00 25.18 ? 230  THR A CG2 1 
ATOM   713  N  N   . GLY A 1 86  ? -16.882 17.711 -3.716  1.00 20.15 ? 231  GLY A N   1 
ATOM   714  C  CA  . GLY A 1 86  ? -17.689 17.946 -2.531  1.00 19.32 ? 231  GLY A CA  1 
ATOM   715  C  C   . GLY A 1 86  ? -17.499 19.300 -1.891  1.00 18.71 ? 231  GLY A C   1 
ATOM   716  O  O   . GLY A 1 86  ? -16.649 20.094 -2.294  1.00 19.09 ? 231  GLY A O   1 
ATOM   717  N  N   . PHE A 1 87  ? -18.271 19.543 -0.837  1.00 17.73 ? 232  PHE A N   1 
ATOM   718  C  CA  . PHE A 1 87  ? -18.193 20.770 -0.051  1.00 16.60 ? 232  PHE A CA  1 
ATOM   719  C  C   . PHE A 1 87  ? -16.809 20.898 0.599   1.00 15.75 ? 232  PHE A C   1 
ATOM   720  O  O   . PHE A 1 87  ? -16.223 19.894 1.022   1.00 15.39 ? 232  PHE A O   1 
ATOM   721  C  CB  . PHE A 1 87  ? -19.279 20.722 1.041   1.00 16.34 ? 232  PHE A CB  1 
ATOM   722  C  CG  . PHE A 1 87  ? -19.240 21.860 2.023   1.00 15.78 ? 232  PHE A CG  1 
ATOM   723  C  CD1 . PHE A 1 87  ? -19.794 23.088 1.709   1.00 16.57 ? 232  PHE A CD1 1 
ATOM   724  C  CD2 . PHE A 1 87  ? -18.659 21.700 3.267   1.00 15.72 ? 232  PHE A CD2 1 
ATOM   725  C  CE1 . PHE A 1 87  ? -19.753 24.144 2.623   1.00 17.52 ? 232  PHE A CE1 1 
ATOM   726  C  CE2 . PHE A 1 87  ? -18.616 22.746 4.171   1.00 16.12 ? 232  PHE A CE2 1 
ATOM   727  C  CZ  . PHE A 1 87  ? -19.177 23.963 3.852   1.00 16.70 ? 232  PHE A CZ  1 
ATOM   728  N  N   . LYS A 1 88  ? -16.293 22.131 0.642   1.00 15.18 ? 233  LYS A N   1 
ATOM   729  C  CA  . LYS A 1 88  ? -15.012 22.480 1.254   1.00 14.36 ? 233  LYS A CA  1 
ATOM   730  C  C   . LYS A 1 88  ? -15.171 23.776 1.992   1.00 15.19 ? 233  LYS A C   1 
ATOM   731  O  O   . LYS A 1 88  ? -15.895 24.669 1.538   1.00 16.41 ? 233  LYS A O   1 
ATOM   732  C  CB  . LYS A 1 88  ? -13.905 22.648 0.190   1.00 13.83 ? 233  LYS A CB  1 
ATOM   733  C  CG  . LYS A 1 88  ? -13.673 21.369 -0.601  1.00 15.77 ? 233  LYS A CG  1 
ATOM   734  C  CD  . LYS A 1 88  ? -12.602 21.519 -1.658  1.00 17.25 ? 233  LYS A CD  1 
ATOM   735  C  CE  . LYS A 1 88  ? -12.724 20.474 -2.740  1.00 19.59 ? 233  LYS A CE  1 
ATOM   736  N  NZ  . LYS A 1 88  ? -14.060 20.506 -3.412  1.00 19.77 ? 233  LYS A NZ  1 
ATOM   737  N  N   . ASN A 1 89  ? -14.485 23.901 3.118   1.00 13.49 ? 234  ASN A N   1 
ATOM   738  C  CA  . ASN A 1 89  ? -14.563 25.108 3.912   1.00 13.10 ? 234  ASN A CA  1 
ATOM   739  C  C   . ASN A 1 89  ? -13.213 25.436 4.516   1.00 13.00 ? 234  ASN A C   1 
ATOM   740  O  O   . ASN A 1 89  ? -13.134 25.845 5.682   1.00 13.28 ? 234  ASN A O   1 
ATOM   741  C  CB  . ASN A 1 89  ? -15.645 24.954 4.989   1.00 12.75 ? 234  ASN A CB  1 
ATOM   742  C  CG  . ASN A 1 89  ? -15.972 26.229 5.737   1.00 15.43 ? 234  ASN A CG  1 
ATOM   743  O  OD1 . ASN A 1 89  ? -16.208 26.238 6.973   1.00 17.57 ? 234  ASN A OD1 1 
ATOM   744  N  ND2 . ASN A 1 89  ? -15.921 27.345 5.044   1.00 13.74 ? 234  ASN A ND2 1 
ATOM   745  N  N   . TRP A 1 90  ? -12.144 25.319 3.706   1.00 12.93 ? 235  TRP A N   1 
ATOM   746  C  CA  . TRP A 1 90  ? -10.810 25.601 4.203   1.00 12.64 ? 235  TRP A CA  1 
ATOM   747  C  C   . TRP A 1 90  ? -10.666 27.044 4.605   1.00 12.98 ? 235  TRP A C   1 
ATOM   748  O  O   . TRP A 1 90  ? -11.192 27.931 3.926   1.00 14.42 ? 235  TRP A O   1 
ATOM   749  C  CB  . TRP A 1 90  ? -9.755  25.307 3.134   1.00 12.31 ? 235  TRP A CB  1 
ATOM   750  C  CG  . TRP A 1 90  ? -9.687  23.875 2.709   1.00 11.19 ? 235  TRP A CG  1 
ATOM   751  C  CD1 . TRP A 1 90  ? -10.065 23.357 1.511   1.00 11.89 ? 235  TRP A CD1 1 
ATOM   752  C  CD2 . TRP A 1 90  ? -9.121  22.790 3.459   1.00 10.13 ? 235  TRP A CD2 1 
ATOM   753  N  NE1 . TRP A 1 90  ? -9.825  22.000 1.484   1.00 11.82 ? 235  TRP A NE1 1 
ATOM   754  C  CE2 . TRP A 1 90  ? -9.209  21.636 2.657   1.00 10.68 ? 235  TRP A CE2 1 
ATOM   755  C  CE3 . TRP A 1 90  ? -8.500  22.699 4.713   1.00 10.50 ? 235  TRP A CE3 1 
ATOM   756  C  CZ2 . TRP A 1 90  ? -8.748  20.394 3.087   1.00 10.49 ? 235  TRP A CZ2 1 
ATOM   757  C  CZ3 . TRP A 1 90  ? -8.080  21.455 5.154   1.00 10.62 ? 235  TRP A CZ3 1 
ATOM   758  C  CH2 . TRP A 1 90  ? -8.200  20.328 4.346   1.00 10.58 ? 235  TRP A CH2 1 
ATOM   759  N  N   . ARG A 1 91  ? -9.848  27.308 5.614   1.00 12.55 ? 236  ARG A N   1 
ATOM   760  C  CA  . ARG A 1 91  ? -9.459  28.683 5.932   1.00 13.36 ? 236  ARG A CA  1 
ATOM   761  C  C   . ARG A 1 91  ? -8.560  29.138 4.753   1.00 14.40 ? 236  ARG A C   1 
ATOM   762  O  O   . ARG A 1 91  ? -7.806  28.308 4.232   1.00 13.34 ? 236  ARG A O   1 
ATOM   763  C  CB  . ARG A 1 91  ? -8.630  28.733 7.218   1.00 14.91 ? 236  ARG A CB  1 
ATOM   764  C  CG  . ARG A 1 91  ? -8.226  30.163 7.571   1.00 18.99 ? 236  ARG A CG  1 
ATOM   765  C  CD  . ARG A 1 91  ? -7.600  30.305 8.937   1.00 22.78 ? 236  ARG A CD  1 
ATOM   766  N  NE  . ARG A 1 91  ? -6.295  29.655 9.011   1.00 24.45 ? 236  ARG A NE  1 
ATOM   767  C  CZ  . ARG A 1 91  ? -5.920  28.831 9.985   1.00 27.20 ? 236  ARG A CZ  1 
ATOM   768  N  NH1 . ARG A 1 91  ? -6.761  28.523 10.967  1.00 27.12 ? 236  ARG A NH1 1 
ATOM   769  N  NH2 . ARG A 1 91  ? -4.705  28.298 9.979   1.00 25.09 ? 236  ARG A NH2 1 
ATOM   770  N  N   . PRO A 1 92  ? -8.656  30.388 4.248   1.00 16.41 ? 237  PRO A N   1 
ATOM   771  C  CA  . PRO A 1 92  ? -7.773  30.788 3.123   1.00 16.86 ? 237  PRO A CA  1 
ATOM   772  C  C   . PRO A 1 92  ? -6.301  30.529 3.450   1.00 16.51 ? 237  PRO A C   1 
ATOM   773  O  O   . PRO A 1 92  ? -5.892  30.682 4.608   1.00 17.07 ? 237  PRO A O   1 
ATOM   774  C  CB  . PRO A 1 92  ? -8.079  32.286 2.938   1.00 18.25 ? 237  PRO A CB  1 
ATOM   775  C  CG  . PRO A 1 92  ? -9.489  32.437 3.475   1.00 19.13 ? 237  PRO A CG  1 
ATOM   776  C  CD  . PRO A 1 92  ? -9.543  31.491 4.665   1.00 17.23 ? 237  PRO A CD  1 
ATOM   777  N  N   . GLU A 1 93  ? -5.538  30.067 2.457   1.00 16.11 ? 238  GLU A N   1 
ATOM   778  C  CA  . GLU A 1 93  ? -4.135  29.645 2.613   1.00 15.67 ? 238  GLU A CA  1 
ATOM   779  C  C   . GLU A 1 93  ? -4.004  28.207 3.149   1.00 14.19 ? 238  GLU A C   1 
ATOM   780  O  O   . GLU A 1 93  ? -2.888  27.747 3.339   1.00 15.38 ? 238  GLU A O   1 
ATOM   781  C  CB  . GLU A 1 93  ? -3.263  30.613 3.418   1.00 19.54 ? 238  GLU A CB  1 
ATOM   782  C  CG  . GLU A 1 93  ? -3.179  31.997 2.793   1.00 27.71 ? 238  GLU A CG  1 
ATOM   783  C  CD  . GLU A 1 93  ? -2.463  33.033 3.640   1.00 41.46 ? 238  GLU A CD  1 
ATOM   784  O  OE1 . GLU A 1 93  ? -1.215  32.966 3.737   1.00 45.12 ? 238  GLU A OE1 1 
ATOM   785  O  OE2 . GLU A 1 93  ? -3.152  33.912 4.211   1.00 46.16 ? 238  GLU A OE2 1 
ATOM   786  N  N   . GLN A 1 94  ? -5.120  27.526 3.435   1.00 11.80 ? 239  GLN A N   1 
ATOM   787  C  CA  . GLN A 1 94  ? -5.088  26.114 3.830   1.00 11.43 ? 239  GLN A CA  1 
ATOM   788  C  C   . GLN A 1 94  ? -5.770  25.289 2.714   1.00 11.15 ? 239  GLN A C   1 
ATOM   789  O  O   . GLN A 1 94  ? -6.635  25.807 1.988   1.00 11.01 ? 239  GLN A O   1 
ATOM   790  C  CB  . GLN A 1 94  ? -5.817  25.878 5.174   1.00 12.13 ? 239  GLN A CB  1 
ATOM   791  C  CG  . GLN A 1 94  ? -5.318  26.750 6.291   1.00 13.55 ? 239  GLN A CG  1 
ATOM   792  C  CD  . GLN A 1 94  ? -3.878  26.486 6.642   1.00 15.45 ? 239  GLN A CD  1 
ATOM   793  O  OE1 . GLN A 1 94  ? -3.370  25.369 6.476   1.00 10.56 ? 239  GLN A OE1 1 
ATOM   794  N  NE2 . GLN A 1 94  ? -3.221  27.496 7.207   1.00 18.91 ? 239  GLN A NE2 1 
ATOM   795  N  N   . PRO A 1 95  ? -5.493  23.980 2.606   1.00 10.21 ? 240  PRO A N   1 
ATOM   796  C  CA  . PRO A 1 95  ? -4.438  23.251 3.311   1.00 10.04 ? 240  PRO A CA  1 
ATOM   797  C  C   . PRO A 1 95  ? -3.064  23.678 2.799   1.00 10.64 ? 240  PRO A C   1 
ATOM   798  O  O   . PRO A 1 95  ? -2.913  24.036 1.634   1.00 12.30 ? 240  PRO A O   1 
ATOM   799  C  CB  . PRO A 1 95  ? -4.752  21.786 2.990   1.00 10.70 ? 240  PRO A CB  1 
ATOM   800  C  CG  . PRO A 1 95  ? -5.383  21.839 1.600   1.00 11.25 ? 240  PRO A CG  1 
ATOM   801  C  CD  . PRO A 1 95  ? -6.126  23.162 1.547   1.00 9.83  ? 240  PRO A CD  1 
ATOM   802  N  N   . ASP A 1 96  ? -2.058  23.664 3.680   1.00 9.83  ? 241  ASP A N   1 
ATOM   803  C  CA  . ASP A 1 96  ? -0.718  24.096 3.330   1.00 9.77  ? 241  ASP A CA  1 
ATOM   804  C  C   . ASP A 1 96  ? 0.355   23.043 3.602   1.00 9.47  ? 241  ASP A C   1 
ATOM   805  O  O   . ASP A 1 96  ? 1.540   23.313 3.376   1.00 9.40  ? 241  ASP A O   1 
ATOM   806  C  CB  . ASP A 1 96  ? -0.354  25.411 4.041   1.00 10.31 ? 241  ASP A CB  1 
ATOM   807  C  CG  . ASP A 1 96  ? -0.293  25.295 5.563   1.00 11.61 ? 241  ASP A CG  1 
ATOM   808  O  OD1 . ASP A 1 96  ? -0.630  24.190 6.098   1.00 8.40  ? 241  ASP A OD1 1 
ATOM   809  O  OD2 . ASP A 1 96  ? 0.060   26.315 6.233   1.00 11.14 ? 241  ASP A OD2 1 
ATOM   810  N  N   . ASP A 1 97  ? -0.014  21.845 4.107   1.00 9.12  ? 242  ASP A N   1 
ATOM   811  C  CA  . ASP A 1 97  ? 0.961   20.753 4.365   1.00 8.32  ? 242  ASP A CA  1 
ATOM   812  C  C   . ASP A 1 97  ? 2.221   21.247 5.068   1.00 8.77  ? 242  ASP A C   1 
ATOM   813  O  O   . ASP A 1 97  ? 3.339   20.970 4.638   1.00 8.77  ? 242  ASP A O   1 
ATOM   814  C  CB  . ASP A 1 97  ? 1.332   20.014 3.067   1.00 9.73  ? 242  ASP A CB  1 
ATOM   815  C  CG  . ASP A 1 97  ? 1.908   18.633 3.335   1.00 11.01 ? 242  ASP A CG  1 
ATOM   816  O  OD1 . ASP A 1 97  ? 1.315   17.884 4.151   1.00 10.28 ? 242  ASP A OD1 1 
ATOM   817  O  OD2 . ASP A 1 97  ? 2.953   18.294 2.716   1.00 10.69 ? 242  ASP A OD2 1 
ATOM   818  N  N   . TRP A 1 98  ? 2.031   22.064 6.094   1.00 8.81  ? 243  TRP A N   1 
ATOM   819  C  CA  . TRP A 1 98  ? 3.137   22.706 6.782   1.00 9.96  ? 243  TRP A CA  1 
ATOM   820  C  C   . TRP A 1 98  ? 4.119   21.734 7.409   1.00 10.00 ? 243  TRP A C   1 
ATOM   821  O  O   . TRP A 1 98  ? 3.719   20.792 8.115   1.00 9.88  ? 243  TRP A O   1 
ATOM   822  C  CB  . TRP A 1 98  ? 2.588   23.665 7.858   1.00 11.51 ? 243  TRP A CB  1 
ATOM   823  C  CG  . TRP A 1 98  ? 3.565   24.629 8.447   1.00 13.32 ? 243  TRP A CG  1 
ATOM   824  C  CD1 . TRP A 1 98  ? 4.433   25.453 7.782   1.00 15.03 ? 243  TRP A CD1 1 
ATOM   825  C  CD2 . TRP A 1 98  ? 3.675   24.960 9.837   1.00 13.39 ? 243  TRP A CD2 1 
ATOM   826  N  NE1 . TRP A 1 98  ? 5.108   26.247 8.685   1.00 16.19 ? 243  TRP A NE1 1 
ATOM   827  C  CE2 . TRP A 1 98  ? 4.613   26.006 9.947   1.00 15.01 ? 243  TRP A CE2 1 
ATOM   828  C  CE3 . TRP A 1 98  ? 3.026   24.508 10.993  1.00 13.70 ? 243  TRP A CE3 1 
ATOM   829  C  CZ2 . TRP A 1 98  ? 4.934   26.587 11.179  1.00 15.52 ? 243  TRP A CZ2 1 
ATOM   830  C  CZ3 . TRP A 1 98  ? 3.356   25.071 12.210  1.00 15.13 ? 243  TRP A CZ3 1 
ATOM   831  C  CH2 . TRP A 1 98  ? 4.321   26.075 12.299  1.00 15.58 ? 243  TRP A CH2 1 
ATOM   832  N  N   . TYR A 1 99  ? 5.412   21.968 7.160   1.00 9.76  ? 244  TYR A N   1 
ATOM   833  C  CA  . TYR A 1 99  ? 6.466   21.193 7.814   1.00 10.47 ? 244  TYR A CA  1 
ATOM   834  C  C   . TYR A 1 99  ? 7.078   21.955 9.017   1.00 10.69 ? 244  TYR A C   1 
ATOM   835  O  O   . TYR A 1 99  ? 7.778   21.350 9.850   1.00 10.45 ? 244  TYR A O   1 
ATOM   836  C  CB  . TYR A 1 99  ? 7.606   20.882 6.812   1.00 10.82 ? 244  TYR A CB  1 
ATOM   837  C  CG  . TYR A 1 99  ? 7.342   19.669 5.950   1.00 9.88  ? 244  TYR A CG  1 
ATOM   838  C  CD1 . TYR A 1 99  ? 6.337   19.677 4.993   1.00 9.98  ? 244  TYR A CD1 1 
ATOM   839  C  CD2 . TYR A 1 99  ? 8.087   18.508 6.099   1.00 10.16 ? 244  TYR A CD2 1 
ATOM   840  C  CE1 . TYR A 1 99  ? 6.108   18.573 4.177   1.00 9.87  ? 244  TYR A CE1 1 
ATOM   841  C  CE2 . TYR A 1 99  ? 7.872   17.399 5.283   1.00 11.37 ? 244  TYR A CE2 1 
ATOM   842  C  CZ  . TYR A 1 99  ? 6.897   17.445 4.303   1.00 11.84 ? 244  TYR A CZ  1 
ATOM   843  O  OH  . TYR A 1 99  ? 6.615   16.317 3.567   1.00 13.95 ? 244  TYR A OH  1 
ATOM   844  N  N   . GLY A 1 100 ? 6.817   23.262 9.098   1.00 11.43 ? 245  GLY A N   1 
ATOM   845  C  CA  . GLY A 1 100 ? 7.427   24.188 10.048  1.00 12.33 ? 245  GLY A CA  1 
ATOM   846  C  C   . GLY A 1 100 ? 7.192   23.910 11.516  1.00 12.68 ? 245  GLY A C   1 
ATOM   847  O  O   . GLY A 1 100 ? 7.861   24.500 12.384  1.00 14.84 ? 245  GLY A O   1 
ATOM   848  N  N   . HIS A 1 101 ? 6.252   23.004 11.813  1.00 10.59 ? 246  HIS A N   1 
ATOM   849  C  CA  . HIS A 1 101 ? 6.011   22.603 13.207  1.00 10.53 ? 246  HIS A CA  1 
ATOM   850  C  C   . HIS A 1 101 ? 7.213   21.801 13.786  1.00 11.78 ? 246  HIS A C   1 
ATOM   851  O  O   . HIS A 1 101 ? 7.343   21.643 15.012  1.00 12.30 ? 246  HIS A O   1 
ATOM   852  C  CB  . HIS A 1 101 ? 4.717   21.797 13.290  1.00 9.92  ? 246  HIS A CB  1 
ATOM   853  C  CG  . HIS A 1 101 ? 4.637   20.689 12.297  1.00 9.23  ? 246  HIS A CG  1 
ATOM   854  N  ND1 . HIS A 1 101 ? 5.403   19.543 12.427  1.00 9.26  ? 246  HIS A ND1 1 
ATOM   855  C  CD2 . HIS A 1 101 ? 3.905   20.592 11.163  1.00 9.94  ? 246  HIS A CD2 1 
ATOM   856  C  CE1 . HIS A 1 101 ? 5.111   18.789 11.376  1.00 9.77  ? 246  HIS A CE1 1 
ATOM   857  N  NE2 . HIS A 1 101 ? 4.196   19.364 10.609  1.00 9.46  ? 246  HIS A NE2 1 
ATOM   858  N  N   . GLY A 1 102 ? 8.054   21.256 12.906  1.00 12.09 ? 247  GLY A N   1 
ATOM   859  C  CA  . GLY A 1 102 ? 9.251   20.523 13.303  1.00 12.97 ? 247  GLY A CA  1 
ATOM   860  C  C   . GLY A 1 102 ? 9.008   19.166 13.918  1.00 13.00 ? 247  GLY A C   1 
ATOM   861  O  O   . GLY A 1 102 ? 9.921   18.574 14.492  1.00 14.46 ? 247  GLY A O   1 
ATOM   862  N  N   . LEU A 1 103 ? 7.781   18.654 13.815  1.00 11.38 ? 248  LEU A N   1 
ATOM   863  C  CA  . LEU A 1 103 ? 7.470   17.347 14.403  1.00 11.47 ? 248  LEU A CA  1 
ATOM   864  C  C   . LEU A 1 103 ? 7.671   16.174 13.457  1.00 12.37 ? 248  LEU A C   1 
ATOM   865  O  O   . LEU A 1 103 ? 7.511   15.036 13.881  1.00 12.56 ? 248  LEU A O   1 
ATOM   866  C  CB  . LEU A 1 103 ? 6.038   17.325 14.952  1.00 11.08 ? 248  LEU A CB  1 
ATOM   867  C  CG  . LEU A 1 103 ? 5.689   18.485 15.885  1.00 11.45 ? 248  LEU A CG  1 
ATOM   868  C  CD1 . LEU A 1 103 ? 4.206   18.541 16.154  1.00 11.51 ? 248  LEU A CD1 1 
ATOM   869  C  CD2 . LEU A 1 103 ? 6.510   18.420 17.183  1.00 12.29 ? 248  LEU A CD2 1 
ATOM   870  N  N   . GLY A 1 104 ? 8.032   16.438 12.198  1.00 11.95 ? 249  GLY A N   1 
ATOM   871  C  CA  . GLY A 1 104 ? 8.219   15.359 11.233  1.00 12.87 ? 249  GLY A CA  1 
ATOM   872  C  C   . GLY A 1 104 ? 7.035   15.296 10.286  1.00 13.71 ? 249  GLY A C   1 
ATOM   873  O  O   . GLY A 1 104 ? 5.871   15.296 10.713  1.00 14.48 ? 249  GLY A O   1 
ATOM   874  N  N   . GLY A 1 105 ? 7.329   15.299 9.001   1.00 13.35 ? 250  GLY A N   1 
ATOM   875  C  CA  . GLY A 1 105 ? 6.287   15.281 7.985   1.00 11.59 ? 250  GLY A CA  1 
ATOM   876  C  C   . GLY A 1 105 ? 5.558   16.605 7.866   1.00 10.13 ? 250  GLY A C   1 
ATOM   877  O  O   . GLY A 1 105 ? 5.928   17.603 8.509   1.00 9.96  ? 250  GLY A O   1 
ATOM   878  N  N   . GLY A 1 106 ? 4.534   16.611 7.014   1.00 9.26  ? 251  GLY A N   1 
ATOM   879  C  CA  . GLY A 1 106 ? 3.728   17.805 6.781   1.00 8.97  ? 251  GLY A CA  1 
ATOM   880  C  C   . GLY A 1 106 ? 2.520   17.815 7.701   1.00 9.06  ? 251  GLY A C   1 
ATOM   881  O  O   . GLY A 1 106 ? 2.673   17.706 8.907   1.00 9.81  ? 251  GLY A O   1 
ATOM   882  N  N   . GLU A 1 107 ? 1.336   17.958 7.124   1.00 8.18  ? 252  GLU A N   1 
ATOM   883  C  CA  . GLU A 1 107 ? 0.068   17.998 7.859   1.00 7.63  ? 252  GLU A CA  1 
ATOM   884  C  C   . GLU A 1 107 ? -0.928  17.187 7.066   1.00 8.07  ? 252  GLU A C   1 
ATOM   885  O  O   . GLU A 1 107 ? -1.238  17.551 5.929   1.00 7.90  ? 252  GLU A O   1 
ATOM   886  C  CB  . GLU A 1 107 ? -0.412  19.439 8.041   1.00 7.23  ? 252  GLU A CB  1 
ATOM   887  C  CG  . GLU A 1 107 ? 0.502   20.183 9.007   1.00 7.10  ? 252  GLU A CG  1 
ATOM   888  C  CD  . GLU A 1 107 ? 0.090   21.616 9.222   1.00 9.46  ? 252  GLU A CD  1 
ATOM   889  O  OE1 . GLU A 1 107 ? 0.225   22.098 10.363  1.00 11.10 ? 252  GLU A OE1 1 
ATOM   890  O  OE2 . GLU A 1 107 ? -0.392  22.252 8.254   1.00 10.12 ? 252  GLU A OE2 1 
ATOM   891  N  N   . ASP A 1 108 ? -1.438  16.096 7.658   1.00 8.01  ? 253  ASP A N   1 
ATOM   892  C  CA  . ASP A 1 108 ? -2.270  15.193 6.882   1.00 8.28  ? 253  ASP A CA  1 
ATOM   893  C  C   . ASP A 1 108 ? -3.681  14.960 7.384   1.00 8.57  ? 253  ASP A C   1 
ATOM   894  O  O   . ASP A 1 108 ? -4.367  14.121 6.816   1.00 9.39  ? 253  ASP A O   1 
ATOM   895  C  CB  . ASP A 1 108 ? -1.568  13.834 6.709   1.00 9.32  ? 253  ASP A CB  1 
ATOM   896  C  CG  . ASP A 1 108 ? -0.230  13.905 5.967   1.00 11.82 ? 253  ASP A CG  1 
ATOM   897  O  OD1 . ASP A 1 108 ? 0.087   14.989 5.380   1.00 9.57  ? 253  ASP A OD1 1 
ATOM   898  O  OD2 . ASP A 1 108 ? 0.505   12.892 5.978   1.00 12.92 ? 253  ASP A OD2 1 
ATOM   899  N  N   . CYS A 1 109 ? -4.115  15.648 8.440   1.00 7.33  ? 254  CYS A N   1 
ATOM   900  C  CA  . CYS A 1 109 ? -5.478  15.440 8.941   1.00 7.60  ? 254  CYS A CA  1 
ATOM   901  C  C   . CYS A 1 109 ? -6.217  16.763 9.026   1.00 8.16  ? 254  CYS A C   1 
ATOM   902  O  O   . CYS A 1 109 ? -5.661  17.739 9.541   1.00 9.05  ? 254  CYS A O   1 
ATOM   903  C  CB  . CYS A 1 109 ? -5.396  14.765 10.306  1.00 8.02  ? 254  CYS A CB  1 
ATOM   904  S  SG  . CYS A 1 109 ? -4.850  13.047 10.228  1.00 10.62 ? 254  CYS A SG  1 
ATOM   905  N  N   . ALA A 1 110 ? -7.490  16.792 8.612   1.00 7.38  ? 255  ALA A N   1 
ATOM   906  C  CA  . ALA A 1 110 ? -8.237  18.055 8.667   1.00 7.30  ? 255  ALA A CA  1 
ATOM   907  C  C   . ALA A 1 110 ? -9.009  18.192 9.972   1.00 7.26  ? 255  ALA A C   1 
ATOM   908  O  O   . ALA A 1 110 ? -9.579  17.221 10.470  1.00 6.96  ? 255  ALA A O   1 
ATOM   909  C  CB  . ALA A 1 110 ? -9.234  18.096 7.531   1.00 8.65  ? 255  ALA A CB  1 
ATOM   910  N  N   . HIS A 1 111 ? -9.146  19.445 10.399  1.00 6.94  ? 256  HIS A N   1 
ATOM   911  C  CA  . HIS A 1 111 ? -9.945  19.732 11.585  1.00 7.50  ? 256  HIS A CA  1 
ATOM   912  C  C   . HIS A 1 111 ? -10.659 21.064 11.426  1.00 8.26  ? 256  HIS A C   1 
ATOM   913  O  O   . HIS A 1 111 ? -10.235 21.940 10.659  1.00 8.43  ? 256  HIS A O   1 
ATOM   914  C  CB  . HIS A 1 111 ? -9.075  19.751 12.865  1.00 7.38  ? 256  HIS A CB  1 
ATOM   915  C  CG  . HIS A 1 111 ? -8.077  20.871 12.918  1.00 8.37  ? 256  HIS A CG  1 
ATOM   916  N  ND1 . HIS A 1 111 ? -8.295  22.027 13.677  1.00 10.28 ? 256  HIS A ND1 1 
ATOM   917  C  CD2 . HIS A 1 111 ? -6.855  20.960 12.335  1.00 8.95  ? 256  HIS A CD2 1 
ATOM   918  C  CE1 . HIS A 1 111 ? -7.205  22.768 13.530  1.00 10.93 ? 256  HIS A CE1 1 
ATOM   919  N  NE2 . HIS A 1 111 ? -6.325  22.184 12.704  1.00 9.71  ? 256  HIS A NE2 1 
ATOM   920  N  N   . PHE A 1 112 ? -11.774 21.198 12.146  1.00 7.97  ? 257  PHE A N   1 
ATOM   921  C  CA  . PHE A 1 112 ? -12.431 22.478 12.269  1.00 8.57  ? 257  PHE A CA  1 
ATOM   922  C  C   . PHE A 1 112 ? -11.552 23.335 13.185  1.00 9.60  ? 257  PHE A C   1 
ATOM   923  O  O   . PHE A 1 112 ? -11.048 22.832 14.202  1.00 9.36  ? 257  PHE A O   1 
ATOM   924  C  CB  . PHE A 1 112 ? -13.779 22.311 12.975  1.00 8.39  ? 257  PHE A CB  1 
ATOM   925  C  CG  . PHE A 1 112 ? -14.722 21.354 12.306  1.00 8.94  ? 257  PHE A CG  1 
ATOM   926  C  CD1 . PHE A 1 112 ? -14.842 20.042 12.751  1.00 9.03  ? 257  PHE A CD1 1 
ATOM   927  C  CD2 . PHE A 1 112 ? -15.448 21.739 11.188  1.00 10.44 ? 257  PHE A CD2 1 
ATOM   928  C  CE1 . PHE A 1 112 ? -15.701 19.159 12.125  1.00 9.92  ? 257  PHE A CE1 1 
ATOM   929  C  CE2 . PHE A 1 112 ? -16.321 20.861 10.581  1.00 11.09 ? 257  PHE A CE2 1 
ATOM   930  C  CZ  . PHE A 1 112 ? -16.417 19.563 11.027  1.00 11.40 ? 257  PHE A CZ  1 
ATOM   931  N  N   . THR A 1 113 ? -11.385 24.624 12.857  1.00 10.15 ? 258  THR A N   1 
ATOM   932  C  CA  . THR A 1 113 ? -10.641 25.527 13.727  1.00 10.56 ? 258  THR A CA  1 
ATOM   933  C  C   . THR A 1 113 ? -11.638 26.269 14.636  1.00 10.78 ? 258  THR A C   1 
ATOM   934  O  O   . THR A 1 113 ? -12.852 26.053 14.524  1.00 11.11 ? 258  THR A O   1 
ATOM   935  C  CB  . THR A 1 113 ? -9.845  26.552 12.879  1.00 12.56 ? 258  THR A CB  1 
ATOM   936  O  OG1 . THR A 1 113 ? -10.779 27.312 12.116  1.00 13.86 ? 258  THR A OG1 1 
ATOM   937  C  CG2 . THR A 1 113 ? -8.804  25.918 11.999  1.00 12.26 ? 258  THR A CG2 1 
ATOM   938  N  N   . ASP A 1 114 ? -11.143 27.131 15.537  1.00 11.33 ? 259  ASP A N   1 
ATOM   939  C  CA  . ASP A 1 114 ? -12.013 27.894 16.446  1.00 12.47 ? 259  ASP A CA  1 
ATOM   940  C  C   . ASP A 1 114 ? -13.138 28.676 15.748  1.00 13.51 ? 259  ASP A C   1 
ATOM   941  O  O   . ASP A 1 114 ? -14.174 28.914 16.378  1.00 14.32 ? 259  ASP A O   1 
ATOM   942  C  CB  . ASP A 1 114 ? -11.184 28.814 17.349  1.00 14.49 ? 259  ASP A CB  1 
ATOM   943  C  CG  . ASP A 1 114 ? -10.364 29.892 16.641  1.00 19.96 ? 259  ASP A CG  1 
ATOM   944  O  OD1 . ASP A 1 114 ? -10.304 29.876 15.387  1.00 19.52 ? 259  ASP A OD1 1 
ATOM   945  O  OD2 . ASP A 1 114 ? -9.769  30.751 17.349  1.00 22.35 ? 259  ASP A OD2 1 
ATOM   946  N  N   . ASP A 1 115 ? -12.971 29.072 14.470  1.00 13.81 ? 260  ASP A N   1 
ATOM   947  C  CA  . ASP A 1 115 ? -14.046 29.801 13.775  1.00 14.87 ? 260  ASP A CA  1 
ATOM   948  C  C   . ASP A 1 115 ? -14.878 28.931 12.814  1.00 14.94 ? 260  ASP A C   1 
ATOM   949  O  O   . ASP A 1 115 ? -15.723 29.448 12.078  1.00 15.67 ? 260  ASP A O   1 
ATOM   950  C  CB  . ASP A 1 115 ? -13.483 31.035 13.056  1.00 17.42 ? 260  ASP A CB  1 
ATOM   951  C  CG  . ASP A 1 115 ? -12.491 30.679 11.972  1.00 22.32 ? 260  ASP A CG  1 
ATOM   952  O  OD1 . ASP A 1 115 ? -12.746 29.711 11.233  1.00 20.24 ? 260  ASP A OD1 1 
ATOM   953  O  OD2 . ASP A 1 115 ? -11.443 31.368 11.873  1.00 26.34 ? 260  ASP A OD2 1 
ATOM   954  N  N   . GLY A 1 116 ? -14.618 27.619 12.793  1.00 13.03 ? 261  GLY A N   1 
ATOM   955  C  CA  . GLY A 1 116 ? -15.354 26.706 11.935  1.00 12.33 ? 261  GLY A CA  1 
ATOM   956  C  C   . GLY A 1 116 ? -14.620 26.356 10.650  1.00 11.23 ? 261  GLY A C   1 
ATOM   957  O  O   . GLY A 1 116 ? -14.853 25.287 10.089  1.00 11.50 ? 261  GLY A O   1 
ATOM   958  N  N   . ARG A 1 117 ? -13.783 27.279 10.145  1.00 10.63 ? 262  ARG A N   1 
ATOM   959  C  CA  . ARG A 1 117 ? -13.055 27.019 8.892   1.00 10.88 ? 262  ARG A CA  1 
ATOM   960  C  C   . ARG A 1 117 ? -12.041 25.891 9.094   1.00 10.77 ? 262  ARG A C   1 
ATOM   961  O  O   . ARG A 1 117 ? -11.582 25.683 10.221  1.00 11.00 ? 262  ARG A O   1 
ATOM   962  C  CB  . ARG A 1 117 ? -12.413 28.311 8.360   1.00 12.22 ? 262  ARG A CB  1 
ATOM   963  C  CG  . ARG A 1 117 ? -13.530 29.334 8.018   1.00 15.04 ? 262  ARG A CG  1 
ATOM   964  C  CD  . ARG A 1 117 ? -12.975 30.684 7.565   1.00 16.13 ? 262  ARG A CD  1 
ATOM   965  N  NE  . ARG A 1 117 ? -12.115 31.267 8.593   1.00 17.61 ? 262  ARG A NE  1 
ATOM   966  C  CZ  . ARG A 1 117 ? -11.333 32.325 8.418   1.00 19.85 ? 262  ARG A CZ  1 
ATOM   967  N  NH1 . ARG A 1 117 ? -11.281 32.934 7.238   1.00 19.73 ? 262  ARG A NH1 1 
ATOM   968  N  NH2 . ARG A 1 117 ? -10.567 32.760 9.407   1.00 21.20 ? 262  ARG A NH2 1 
ATOM   969  N  N   . TRP A 1 118 ? -11.740 25.152 8.036   1.00 10.69 ? 263  TRP A N   1 
ATOM   970  C  CA  . TRP A 1 118 ? -10.880 23.976 8.178   1.00 9.96  ? 263  TRP A CA  1 
ATOM   971  C  C   . TRP A 1 118 ? -9.385  24.277 8.060   1.00 10.01 ? 263  TRP A C   1 
ATOM   972  O  O   . TRP A 1 118 ? -8.941  25.163 7.320   1.00 10.58 ? 263  TRP A O   1 
ATOM   973  C  CB  . TRP A 1 118 ? -11.247 22.916 7.134   1.00 9.58  ? 263  TRP A CB  1 
ATOM   974  C  CG  . TRP A 1 118 ? -12.713 22.576 7.017   1.00 9.29  ? 263  TRP A CG  1 
ATOM   975  C  CD1 . TRP A 1 118 ? -13.729 22.887 7.878   1.00 10.58 ? 263  TRP A CD1 1 
ATOM   976  C  CD2 . TRP A 1 118 ? -13.303 21.827 5.954   1.00 9.47  ? 263  TRP A CD2 1 
ATOM   977  N  NE1 . TRP A 1 118 ? -14.918 22.393 7.403   1.00 10.91 ? 263  TRP A NE1 1 
ATOM   978  C  CE2 . TRP A 1 118 ? -14.682 21.714 6.230   1.00 10.68 ? 263  TRP A CE2 1 
ATOM   979  C  CE3 . TRP A 1 118 ? -12.788 21.194 4.816   1.00 10.19 ? 263  TRP A CE3 1 
ATOM   980  C  CZ2 . TRP A 1 118 ? -15.551 20.986 5.406   1.00 11.16 ? 263  TRP A CZ2 1 
ATOM   981  C  CZ3 . TRP A 1 118 ? -13.652 20.495 3.994   1.00 10.68 ? 263  TRP A CZ3 1 
ATOM   982  C  CH2 . TRP A 1 118 ? -15.019 20.404 4.284   1.00 11.50 ? 263  TRP A CH2 1 
ATOM   983  N  N   . ASN A 1 119 ? -8.603  23.437 8.734   1.00 8.98  ? 264  ASN A N   1 
ATOM   984  C  CA  . ASN A 1 119 ? -7.155  23.490 8.607   1.00 8.03  ? 264  ASN A CA  1 
ATOM   985  C  C   . ASN A 1 119 ? -6.623  22.055 8.519   1.00 7.82  ? 264  ASN A C   1 
ATOM   986  O  O   . ASN A 1 119 ? -7.241  21.137 9.072   1.00 7.30  ? 264  ASN A O   1 
ATOM   987  C  CB  . ASN A 1 119 ? -6.539  24.179 9.821   1.00 9.63  ? 264  ASN A CB  1 
ATOM   988  C  CG  . ASN A 1 119 ? -5.031  24.125 9.866   1.00 8.95  ? 264  ASN A CG  1 
ATOM   989  O  OD1 . ASN A 1 119 ? -4.340  24.483 8.904   1.00 9.00  ? 264  ASN A OD1 1 
ATOM   990  N  ND2 . ASN A 1 119 ? -4.486  23.654 10.990  1.00 8.74  ? 264  ASN A ND2 1 
ATOM   991  N  N   . ASP A 1 120 ? -5.484  21.875 7.831   1.00 7.28  ? 265  ASP A N   1 
ATOM   992  C  CA  . ASP A 1 120 ? -4.803  20.581 7.870   1.00 7.03  ? 265  ASP A CA  1 
ATOM   993  C  C   . ASP A 1 120 ? -3.743  20.706 8.983   1.00 6.78  ? 265  ASP A C   1 
ATOM   994  O  O   . ASP A 1 120 ? -3.083  21.749 9.129   1.00 7.03  ? 265  ASP A O   1 
ATOM   995  C  CB  . ASP A 1 120 ? -4.173  20.202 6.525   1.00 7.35  ? 265  ASP A CB  1 
ATOM   996  C  CG  . ASP A 1 120 ? -3.134  21.143 5.981   1.00 8.94  ? 265  ASP A CG  1 
ATOM   997  O  OD1 . ASP A 1 120 ? -3.198  22.375 6.299   1.00 7.34  ? 265  ASP A OD1 1 
ATOM   998  O  OD2 . ASP A 1 120 ? -2.319  20.685 5.119   1.00 7.93  ? 265  ASP A OD2 1 
ATOM   999  N  N   . ASP A 1 121 ? -3.623  19.661 9.800   1.00 6.51  ? 266  ASP A N   1 
ATOM   1000 C  CA  . ASP A 1 121 ? -2.667  19.690 10.912  1.00 7.10  ? 266  ASP A CA  1 
ATOM   1001 C  C   . ASP A 1 121 ? -2.039  18.288 11.109  1.00 7.49  ? 266  ASP A C   1 
ATOM   1002 O  O   . ASP A 1 121 ? -2.384  17.319 10.418  1.00 8.22  ? 266  ASP A O   1 
ATOM   1003 C  CB  . ASP A 1 121 ? -3.396  20.208 12.190  1.00 8.00  ? 266  ASP A CB  1 
ATOM   1004 C  CG  . ASP A 1 121 ? -2.527  20.943 13.207  1.00 9.63  ? 266  ASP A CG  1 
ATOM   1005 O  OD1 . ASP A 1 121 ? -3.061  21.858 13.916  1.00 11.30 ? 266  ASP A OD1 1 
ATOM   1006 O  OD2 . ASP A 1 121 ? -1.314  20.677 13.246  1.00 9.05  ? 266  ASP A OD2 1 
ATOM   1007 N  N   . VAL A 1 122 ? -1.076  18.212 12.041  1.00 7.24  ? 267  VAL A N   1 
ATOM   1008 C  CA  . VAL A 1 122 ? -0.333  17.024 12.356  1.00 7.99  ? 267  VAL A CA  1 
ATOM   1009 C  C   . VAL A 1 122 ? -1.297  16.034 13.016  1.00 8.27  ? 267  VAL A C   1 
ATOM   1010 O  O   . VAL A 1 122 ? -1.922  16.331 14.054  1.00 8.80  ? 267  VAL A O   1 
ATOM   1011 C  CB  . VAL A 1 122 ? 0.818   17.417 13.283  1.00 9.16  ? 267  VAL A CB  1 
ATOM   1012 C  CG1 . VAL A 1 122 ? 1.526   16.186 13.842  1.00 10.50 ? 267  VAL A CG1 1 
ATOM   1013 C  CG2 . VAL A 1 122 ? 1.797   18.353 12.564  1.00 9.72  ? 267  VAL A CG2 1 
ATOM   1014 N  N   . CYS A 1 123 ? -1.402  14.849 12.390  1.00 7.63  ? 268  CYS A N   1 
ATOM   1015 C  CA  . CYS A 1 123 ? -2.361  13.843 12.836  1.00 8.14  ? 268  CYS A CA  1 
ATOM   1016 C  C   . CYS A 1 123 ? -2.217  13.425 14.312  1.00 8.39  ? 268  CYS A C   1 
ATOM   1017 O  O   . CYS A 1 123 ? -3.205  13.018 14.910  1.00 8.82  ? 268  CYS A O   1 
ATOM   1018 C  CB  . CYS A 1 123 ? -2.337  12.636 11.902  1.00 10.35 ? 268  CYS A CB  1 
ATOM   1019 S  SG  . CYS A 1 123 ? -2.830  13.031 10.199  1.00 12.70 ? 268  CYS A SG  1 
ATOM   1020 N  N   A GLN A 1 124 ? -1.020  13.504 14.868  0.44 8.03  ? 269  GLN A N   1 
ATOM   1021 N  N   B GLN A 1 124 ? -1.004  13.506 14.863  0.56 8.07  ? 269  GLN A N   1 
ATOM   1022 C  CA  A GLN A 1 124 ? -0.789  13.079 16.246  0.44 8.90  ? 269  GLN A CA  1 
ATOM   1023 C  CA  B GLN A 1 124 ? -0.727  13.121 16.252  0.56 9.15  ? 269  GLN A CA  1 
ATOM   1024 C  C   A GLN A 1 124 ? -1.277  14.082 17.294  0.44 9.17  ? 269  GLN A C   1 
ATOM   1025 C  C   B GLN A 1 124 ? -1.361  14.049 17.268  0.56 9.30  ? 269  GLN A C   1 
ATOM   1026 O  O   A GLN A 1 124 ? -1.256  13.762 18.489  0.44 9.85  ? 269  GLN A O   1 
ATOM   1027 O  O   B GLN A 1 124 ? -1.464  13.679 18.442  0.56 9.97  ? 269  GLN A O   1 
ATOM   1028 C  CB  A GLN A 1 124 ? 0.684   12.709 16.472  0.44 10.39 ? 269  GLN A CB  1 
ATOM   1029 C  CB  B GLN A 1 124 ? 0.786   13.138 16.547  0.56 10.95 ? 269  GLN A CB  1 
ATOM   1030 C  CG  A GLN A 1 124 ? 1.100   11.434 15.742  0.44 12.41 ? 269  GLN A CG  1 
ATOM   1031 C  CG  B GLN A 1 124 ? 1.661   12.291 15.627  0.56 14.51 ? 269  GLN A CG  1 
ATOM   1032 C  CD  A GLN A 1 124 ? 1.180   11.602 14.232  0.44 17.20 ? 269  GLN A CD  1 
ATOM   1033 C  CD  B GLN A 1 124 ? 3.107   12.390 16.066  0.56 19.37 ? 269  GLN A CD  1 
ATOM   1034 O  OE1 A GLN A 1 124 ? 1.497   12.683 13.711  0.44 18.31 ? 269  GLN A OE1 1 
ATOM   1035 O  OE1 B GLN A 1 124 ? 3.507   11.779 17.056  0.56 21.02 ? 269  GLN A OE1 1 
ATOM   1036 N  NE2 A GLN A 1 124 ? 0.860   10.542 13.487  0.44 18.82 ? 269  GLN A NE2 1 
ATOM   1037 N  NE2 B GLN A 1 124 ? 3.913   13.194 15.371  0.56 19.61 ? 269  GLN A NE2 1 
ATOM   1038 N  N   . ARG A 1 125 ? -1.715  15.286 16.874  1.00 8.37  ? 270  ARG A N   1 
ATOM   1039 C  CA  . ARG A 1 125 ? -2.223  16.252 17.859  1.00 8.02  ? 270  ARG A CA  1 
ATOM   1040 C  C   . ARG A 1 125 ? -3.497  15.730 18.524  1.00 8.33  ? 270  ARG A C   1 
ATOM   1041 O  O   . ARG A 1 125 ? -4.403  15.251 17.834  1.00 8.86  ? 270  ARG A O   1 
ATOM   1042 C  CB  . ARG A 1 125 ? -2.519  17.615 17.221  1.00 8.48  ? 270  ARG A CB  1 
ATOM   1043 C  CG  . ARG A 1 125 ? -1.247  18.322 16.763  1.00 9.22  ? 270  ARG A CG  1 
ATOM   1044 C  CD  . ARG A 1 125 ? -1.471  19.817 16.535  1.00 9.73  ? 270  ARG A CD  1 
ATOM   1045 N  NE  . ARG A 1 125 ? -0.362  20.434 15.797  1.00 9.96  ? 270  ARG A NE  1 
ATOM   1046 C  CZ  . ARG A 1 125 ? 0.827   20.722 16.320  1.00 10.37 ? 270  ARG A CZ  1 
ATOM   1047 N  NH1 . ARG A 1 125 ? 1.060   20.516 17.618  1.00 10.42 ? 270  ARG A NH1 1 
ATOM   1048 N  NH2 . ARG A 1 125 ? 1.796   21.212 15.549  1.00 8.59  ? 270  ARG A NH2 1 
ATOM   1049 N  N   . PRO A 1 126 ? -3.616  15.887 19.843  1.00 8.22  ? 271  PRO A N   1 
ATOM   1050 C  CA  . PRO A 1 126 ? -4.881  15.513 20.498  1.00 7.30  ? 271  PRO A CA  1 
ATOM   1051 C  C   . PRO A 1 126 ? -5.909  16.630 20.355  1.00 9.12  ? 271  PRO A C   1 
ATOM   1052 O  O   . PRO A 1 126 ? -5.721  17.740 20.859  1.00 9.62  ? 271  PRO A O   1 
ATOM   1053 C  CB  . PRO A 1 126 ? -4.479  15.310 21.971  1.00 8.39  ? 271  PRO A CB  1 
ATOM   1054 C  CG  . PRO A 1 126 ? -3.285  16.226 22.159  1.00 8.96  ? 271  PRO A CG  1 
ATOM   1055 C  CD  . PRO A 1 126 ? -2.594  16.338 20.805  1.00 8.24  ? 271  PRO A CD  1 
ATOM   1056 N  N   . TYR A 1 127 ? -6.952  16.372 19.558  1.00 7.42  ? 272  TYR A N   1 
ATOM   1057 C  CA  . TYR A 1 127 ? -8.047  17.333 19.435  1.00 7.36  ? 272  TYR A CA  1 
ATOM   1058 C  C   . TYR A 1 127 ? -9.337  16.579 19.771  1.00 7.61  ? 272  TYR A C   1 
ATOM   1059 O  O   . TYR A 1 127 ? -9.388  15.341 19.693  1.00 7.91  ? 272  TYR A O   1 
ATOM   1060 C  CB  . TYR A 1 127 ? -8.187  17.861 17.986  1.00 7.66  ? 272  TYR A CB  1 
ATOM   1061 C  CG  . TYR A 1 127 ? -7.150  18.876 17.493  1.00 7.68  ? 272  TYR A CG  1 
ATOM   1062 C  CD1 . TYR A 1 127 ? -6.545  19.765 18.366  1.00 8.51  ? 272  TYR A CD1 1 
ATOM   1063 C  CD2 . TYR A 1 127 ? -6.831  18.976 16.141  1.00 8.03  ? 272  TYR A CD2 1 
ATOM   1064 C  CE1 . TYR A 1 127 ? -5.636  20.720 17.910  1.00 8.72  ? 272  TYR A CE1 1 
ATOM   1065 C  CE2 . TYR A 1 127 ? -5.944  19.943 15.672  1.00 8.81  ? 272  TYR A CE2 1 
ATOM   1066 C  CZ  . TYR A 1 127 ? -5.350  20.812 16.559  1.00 8.90  ? 272  TYR A CZ  1 
ATOM   1067 O  OH  . TYR A 1 127 ? -4.467  21.763 16.131  1.00 8.54  ? 272  TYR A OH  1 
ATOM   1068 N  N   . ARG A 1 128 ? -10.415 17.328 20.065  1.00 7.42  ? 273  ARG A N   1 
ATOM   1069 C  CA  . ARG A 1 128 ? -11.734 16.710 20.180  1.00 7.06  ? 273  ARG A CA  1 
ATOM   1070 C  C   . ARG A 1 128 ? -12.125 16.190 18.779  1.00 8.10  ? 273  ARG A C   1 
ATOM   1071 O  O   . ARG A 1 128 ? -11.408 16.435 17.795  1.00 8.51  ? 273  ARG A O   1 
ATOM   1072 C  CB  . ARG A 1 128 ? -12.770 17.730 20.693  1.00 8.38  ? 273  ARG A CB  1 
ATOM   1073 C  CG  . ARG A 1 128 ? -12.471 18.175 22.113  1.00 8.64  ? 273  ARG A CG  1 
ATOM   1074 C  CD  . ARG A 1 128 ? -13.580 19.050 22.687  1.00 9.90  ? 273  ARG A CD  1 
ATOM   1075 N  NE  . ARG A 1 128 ? -13.365 19.198 24.116  1.00 12.10 ? 273  ARG A NE  1 
ATOM   1076 C  CZ  . ARG A 1 128 ? -14.185 19.842 24.944  1.00 15.46 ? 273  ARG A CZ  1 
ATOM   1077 N  NH1 . ARG A 1 128 ? -15.307 20.384 24.489  1.00 17.82 ? 273  ARG A NH1 1 
ATOM   1078 N  NH2 . ARG A 1 128 ? -13.899 19.925 26.241  1.00 13.69 ? 273  ARG A NH2 1 
ATOM   1079 N  N   . TRP A 1 129 ? -13.197 15.396 18.722  1.00 7.97  ? 274  TRP A N   1 
ATOM   1080 C  CA  . TRP A 1 129 ? -13.621 14.830 17.450  1.00 8.32  ? 274  TRP A CA  1 
ATOM   1081 C  C   . TRP A 1 129 ? -15.144 14.633 17.443  1.00 8.78  ? 274  TRP A C   1 
ATOM   1082 O  O   . TRP A 1 129 ? -15.832 14.789 18.462  1.00 8.36  ? 274  TRP A O   1 
ATOM   1083 C  CB  . TRP A 1 129 ? -12.868 13.507 17.189  1.00 8.75  ? 274  TRP A CB  1 
ATOM   1084 C  CG  . TRP A 1 129 ? -13.353 12.362 18.024  1.00 9.28  ? 274  TRP A CG  1 
ATOM   1085 C  CD1 . TRP A 1 129 ? -14.329 11.464 17.701  1.00 10.24 ? 274  TRP A CD1 1 
ATOM   1086 C  CD2 . TRP A 1 129 ? -12.934 12.036 19.359  1.00 8.88  ? 274  TRP A CD2 1 
ATOM   1087 N  NE1 . TRP A 1 129 ? -14.544 10.603 18.751  1.00 10.41 ? 274  TRP A NE1 1 
ATOM   1088 C  CE2 . TRP A 1 129 ? -13.668 10.899 19.762  1.00 9.82  ? 274  TRP A CE2 1 
ATOM   1089 C  CE3 . TRP A 1 129 ? -12.011 12.598 20.260  1.00 9.49  ? 274  TRP A CE3 1 
ATOM   1090 C  CZ2 . TRP A 1 129 ? -13.524 10.332 21.023  1.00 10.93 ? 274  TRP A CZ2 1 
ATOM   1091 C  CZ3 . TRP A 1 129 ? -11.873 12.026 21.508  1.00 10.14 ? 274  TRP A CZ3 1 
ATOM   1092 C  CH2 . TRP A 1 129 ? -12.653 10.930 21.891  1.00 11.07 ? 274  TRP A CH2 1 
ATOM   1093 N  N   . VAL A 1 130 ? -15.678 14.357 16.262  1.00 8.59  ? 275  VAL A N   1 
ATOM   1094 C  CA  . VAL A 1 130 ? -17.108 14.137 16.100  1.00 8.55  ? 275  VAL A CA  1 
ATOM   1095 C  C   . VAL A 1 130 ? -17.286 12.829 15.341  1.00 8.88  ? 275  VAL A C   1 
ATOM   1096 O  O   . VAL A 1 130 ? -16.634 12.642 14.308  1.00 8.62  ? 275  VAL A O   1 
ATOM   1097 C  CB  . VAL A 1 130 ? -17.762 15.257 15.275  1.00 9.61  ? 275  VAL A CB  1 
ATOM   1098 C  CG1 . VAL A 1 130 ? -19.270 15.033 15.129  1.00 10.56 ? 275  VAL A CG1 1 
ATOM   1099 C  CG2 . VAL A 1 130 ? -17.467 16.645 15.848  1.00 10.12 ? 275  VAL A CG2 1 
ATOM   1100 N  N   . CYS A 1 131 ? -18.185 11.937 15.823  1.00 9.32  ? 276  CYS A N   1 
ATOM   1101 C  CA  . CYS A 1 131 ? -18.551 10.717 15.072  1.00 10.68 ? 276  CYS A CA  1 
ATOM   1102 C  C   . CYS A 1 131 ? -19.898 10.989 14.401  1.00 10.88 ? 276  CYS A C   1 
ATOM   1103 O  O   . CYS A 1 131 ? -20.734 11.748 14.931  1.00 11.11 ? 276  CYS A O   1 
ATOM   1104 C  CB  . CYS A 1 131 ? -18.661 9.483  15.963  1.00 12.73 ? 276  CYS A CB  1 
ATOM   1105 S  SG  . CYS A 1 131 ? -17.136 9.033  16.822  1.00 15.16 ? 276  CYS A SG  1 
ATOM   1106 N  N   . GLU A 1 132 ? -20.131 10.303 13.281  1.00 10.78 ? 277  GLU A N   1 
ATOM   1107 C  CA  . GLU A 1 132 ? -21.379 10.406 12.558  1.00 11.83 ? 277  GLU A CA  1 
ATOM   1108 C  C   . GLU A 1 132 ? -21.793 9.017  12.066  1.00 13.37 ? 277  GLU A C   1 
ATOM   1109 O  O   . GLU A 1 132 ? -20.962 8.184  11.682  1.00 13.11 ? 277  GLU A O   1 
ATOM   1110 C  CB  . GLU A 1 132 ? -21.219 11.362 11.356  1.00 11.08 ? 277  GLU A CB  1 
ATOM   1111 C  CG  . GLU A 1 132 ? -22.482 11.501 10.504  1.00 11.96 ? 277  GLU A CG  1 
ATOM   1112 C  CD  . GLU A 1 132 ? -22.327 12.387 9.280   1.00 14.79 ? 277  GLU A CD  1 
ATOM   1113 O  OE1 . GLU A 1 132 ? -21.176 12.696 8.901   1.00 12.68 ? 277  GLU A OE1 1 
ATOM   1114 O  OE2 . GLU A 1 132 ? -23.359 12.761 8.681   1.00 15.16 ? 277  GLU A OE2 1 
ATOM   1115 N  N   . THR A 1 133 ? -23.101 8.775  12.077  1.00 14.31 ? 278  THR A N   1 
ATOM   1116 C  CA  . THR A 1 133 ? -23.666 7.563  11.512  1.00 16.65 ? 278  THR A CA  1 
ATOM   1117 C  C   . THR A 1 133 ? -24.935 7.966  10.747  1.00 18.21 ? 278  THR A C   1 
ATOM   1118 O  O   . THR A 1 133 ? -25.577 8.959  11.098  1.00 18.63 ? 278  THR A O   1 
ATOM   1119 C  CB  . THR A 1 133 ? -23.850 6.497  12.583  1.00 19.91 ? 278  THR A CB  1 
ATOM   1120 O  OG1 . THR A 1 133 ? -24.067 5.242  11.942  1.00 22.46 ? 278  THR A OG1 1 
ATOM   1121 C  CG2 . THR A 1 133 ? -24.982 6.803  13.514  1.00 20.46 ? 278  THR A CG2 1 
ATOM   1122 N  N   . GLU A 1 134 ? -25.244 7.275  9.652   1.00 19.60 ? 279  GLU A N   1 
ATOM   1123 C  CA  . GLU A 1 134 ? -26.408 7.625  8.845   1.00 21.80 ? 279  GLU A CA  1 
ATOM   1124 C  C   . GLU A 1 134 ? -27.579 6.756  9.184   1.00 24.49 ? 279  GLU A C   1 
ATOM   1125 O  O   . GLU A 1 134 ? -27.412 5.553  9.348   1.00 25.37 ? 279  GLU A O   1 
ATOM   1126 C  CB  . GLU A 1 134 ? -26.077 7.521  7.347   1.00 23.82 ? 279  GLU A CB  1 
ATOM   1127 C  CG  . GLU A 1 134 ? -25.125 8.603  6.853   1.00 27.91 ? 279  GLU A CG  1 
ATOM   1128 C  CD  . GLU A 1 134 ? -23.656 8.362  7.142   1.00 33.13 ? 279  GLU A CD  1 
ATOM   1129 O  OE1 . GLU A 1 134 ? -22.951 9.329  7.511   1.00 32.13 ? 279  GLU A OE1 1 
ATOM   1130 O  OE2 . GLU A 1 134 ? -23.211 7.198  7.016   1.00 35.56 ? 279  GLU A OE2 1 
ATOM   1131 N  N   . LEU A 1 135 ? -28.763 7.350  9.309   1.00 25.92 ? 280  LEU A N   1 
ATOM   1132 C  CA  . LEU A 1 135 ? -29.985 6.585  9.542   1.00 28.35 ? 280  LEU A CA  1 
ATOM   1133 C  C   . LEU A 1 135 ? -30.479 6.097  8.186   1.00 30.88 ? 280  LEU A C   1 
ATOM   1134 O  O   . LEU A 1 135 ? -30.818 4.896  8.087   1.00 32.28 ? 280  LEU A O   1 
ATOM   1135 C  CB  . LEU A 1 135 ? -31.061 7.460  10.191  1.00 28.40 ? 280  LEU A CB  1 
ATOM   1136 C  CG  . LEU A 1 135 ? -30.807 7.839  11.631  1.00 30.13 ? 280  LEU A CG  1 
ATOM   1137 C  CD1 . LEU A 1 135 ? -31.864 8.786  12.123  1.00 30.82 ? 280  LEU A CD1 1 
ATOM   1138 C  CD2 . LEU A 1 135 ? -30.729 6.600  12.524  1.00 31.17 ? 280  LEU A CD2 1 
HETATM 1139 CA CA  . CA  B 2 .   ? -0.707  16.597 3.764   1.00 9.05  2 1001 CA  A CA  1 
HETATM 1140 CA CA  . CA  C 2 .   ? -2.163  23.742 7.945   1.00 8.57  2 1002 CA  A CA  1 
HETATM 1141 CA CA  . CA  D 2 .   ? -22.389 13.861 6.837   1.00 13.68 2 1003 CA  A CA  1 
HETATM 1142 C  C1  . GOL E 3 .   ? -1.719  15.649 -0.920  0.53 10.09 ? 1004 GOL A C1  1 
HETATM 1143 O  O1  . GOL E 3 .   ? -2.754  16.493 -0.492  0.53 8.62  ? 1004 GOL A O1  1 
HETATM 1144 C  C2  . GOL E 3 .   ? -0.785  15.274 0.200   0.53 8.53  ? 1004 GOL A C2  1 
HETATM 1145 O  O2  . GOL E 3 .   ? -0.831  13.859 0.451   0.53 10.11 ? 1004 GOL A O2  1 
HETATM 1146 C  C3  . GOL E 3 .   ? 0.649   15.688 -0.026  0.53 9.64  ? 1004 GOL A C3  1 
HETATM 1147 O  O3  . GOL E 3 .   ? 1.440   14.571 0.173   0.53 13.01 ? 1004 GOL A O3  1 
HETATM 1148 O  O5  A A2G F 4 .   ? -0.517  27.967 10.563  0.63 13.23 ? 1005 A2G A O5  1 
HETATM 1149 C  C1  A A2G F 4 .   ? -1.240  27.495 11.688  0.63 13.12 ? 1005 A2G A C1  1 
HETATM 1150 O  O1  A A2G F 4 .   ? -0.409  27.375 12.799  0.63 13.35 ? 1005 A2G A O1  1 
HETATM 1151 C  C2  A A2G F 4 .   ? -1.903  26.143 11.413  0.63 11.86 ? 1005 A2G A C2  1 
HETATM 1152 N  N2  A A2G F 4 .   ? -2.517  25.635 12.622  0.63 12.15 ? 1005 A2G A N2  1 
HETATM 1153 C  C3  A A2G F 4 .   ? -0.878  25.145 10.880  0.63 11.02 ? 1005 A2G A C3  1 
HETATM 1154 O  O3  A A2G F 4 .   ? -1.572  23.981 10.461  0.63 10.16 ? 1005 A2G A O3  1 
HETATM 1155 C  C4  A A2G F 4 .   ? -0.093  25.738 9.718   0.63 11.34 ? 1005 A2G A C4  1 
HETATM 1156 O  O4  A A2G F 4 .   ? -0.979  25.937 8.620   0.63 9.67  ? 1005 A2G A O4  1 
HETATM 1157 C  C5  A A2G F 4 .   ? 0.523   27.067 10.138  0.63 12.50 ? 1005 A2G A C5  1 
HETATM 1158 C  C6  A A2G F 4 .   ? 1.259   27.750 9.010   0.63 13.32 ? 1005 A2G A C6  1 
HETATM 1159 O  O6  A A2G F 4 .   ? 2.044   28.830 9.500   0.63 13.96 ? 1005 A2G A O6  1 
HETATM 1160 C  C7  A A2G F 4 .   ? -3.764  25.935 12.990  0.63 13.01 ? 1005 A2G A C7  1 
HETATM 1161 O  O7  A A2G F 4 .   ? -4.460  26.712 12.348  0.63 13.23 ? 1005 A2G A O7  1 
HETATM 1162 C  C8  A A2G F 4 .   ? -4.267  25.256 14.229  0.63 13.50 ? 1005 A2G A C8  1 
HETATM 1163 C  C1  B NGA G 5 .   ? -1.162  27.476 11.729  0.37 9.51  ? 1006 NGA A C1  1 
HETATM 1164 C  C2  B NGA G 5 .   ? -1.871  26.157 11.434  0.37 8.89  ? 1006 NGA A C2  1 
HETATM 1165 C  C3  B NGA G 5 .   ? -0.885  25.136 10.882  0.37 8.53  ? 1006 NGA A C3  1 
HETATM 1166 C  C4  B NGA G 5 .   ? -0.100  25.729 9.723   0.37 8.67  ? 1006 NGA A C4  1 
HETATM 1167 C  C5  B NGA G 5 .   ? 0.518   27.057 10.135  0.37 9.13  ? 1006 NGA A C5  1 
HETATM 1168 C  C6  B NGA G 5 .   ? 1.285   27.687 8.980   0.37 9.53  ? 1006 NGA A C6  1 
HETATM 1169 C  C7  B NGA G 5 .   ? -3.750  25.932 12.978  0.37 9.67  ? 1006 NGA A C7  1 
HETATM 1170 C  C8  B NGA G 5 .   ? -4.268  25.246 14.212  0.37 9.91  ? 1006 NGA A C8  1 
HETATM 1171 N  N2  B NGA G 5 .   ? -2.494  25.644 12.640  0.37 9.11  ? 1006 NGA A N2  1 
HETATM 1172 O  O1  B NGA G 5 .   ? -2.116  28.458 12.137  0.37 9.23  ? 1006 NGA A O1  1 
HETATM 1173 O  O3  B NGA G 5 .   ? -1.596  23.984 10.429  0.37 8.13  ? 1006 NGA A O3  1 
HETATM 1174 O  O4  B NGA G 5 .   ? -0.985  25.920 8.615   0.37 7.85  ? 1006 NGA A O4  1 
HETATM 1175 O  O5  B NGA G 5 .   ? -0.510  27.945 10.555  0.37 9.39  ? 1006 NGA A O5  1 
HETATM 1176 O  O6  B NGA G 5 .   ? 2.040   28.794 9.483   0.37 10.04 ? 1006 NGA A O6  1 
HETATM 1177 O  O7  B NGA G 5 .   ? -4.443  26.694 12.335  0.37 10.03 ? 1006 NGA A O7  1 
HETATM 1178 O  O   . HOH H 6 .   ? -1.953  7.592  19.948  1.00 34.40 ? 1101 HOH A O   1 
HETATM 1179 O  O   . HOH H 6 .   ? -2.172  23.745 -0.718  1.00 26.55 ? 1102 HOH A O   1 
HETATM 1180 O  O   . HOH H 6 .   ? -5.605  6.359  8.266   1.00 47.36 ? 1103 HOH A O   1 
HETATM 1181 O  O   . HOH H 6 .   ? -6.604  23.787 20.208  1.00 35.49 ? 1104 HOH A O   1 
HETATM 1182 O  O   . HOH H 6 .   ? -12.730 10.517 -0.669  1.00 20.72 ? 1105 HOH A O   1 
HETATM 1183 O  O   . HOH H 6 .   ? -11.122 28.837 21.407  1.00 38.20 ? 1106 HOH A O   1 
HETATM 1184 O  O   . HOH H 6 .   ? 0.933   15.182 2.965   1.00 23.92 ? 1107 HOH A O   1 
HETATM 1185 O  O   . HOH H 6 .   ? -16.596 30.689 10.002  1.00 41.04 ? 1108 HOH A O   1 
HETATM 1186 O  O   . HOH H 6 .   ? -1.049  12.105 20.452  1.00 19.58 ? 1109 HOH A O   1 
HETATM 1187 O  O   . HOH H 6 .   ? 7.713   26.180 14.334  1.00 32.18 ? 1110 HOH A O   1 
HETATM 1188 O  O   . HOH H 6 .   ? 6.280   23.065 16.931  1.00 17.42 ? 1111 HOH A O   1 
HETATM 1189 O  O   . HOH H 6 .   ? -17.419 -1.847 19.534  1.00 30.70 ? 1112 HOH A O   1 
HETATM 1190 O  O   . HOH H 6 .   ? -7.724  21.098 -2.245  1.00 32.06 ? 1113 HOH A O   1 
HETATM 1191 O  O   . HOH H 6 .   ? -23.595 5.131  8.614   1.00 43.11 ? 1114 HOH A O   1 
HETATM 1192 O  O   . HOH H 6 .   ? 3.956   15.914 3.304   1.00 18.35 ? 1115 HOH A O   1 
HETATM 1193 O  O   . HOH H 6 .   ? -1.820  18.731 3.392   1.00 8.73  ? 1116 HOH A O   1 
HETATM 1194 O  O   . HOH H 6 .   ? -27.410 11.616 6.457   1.00 32.64 ? 1117 HOH A O   1 
HETATM 1195 O  O   . HOH H 6 .   ? -20.832 -0.585 18.099  1.00 53.27 ? 1118 HOH A O   1 
HETATM 1196 O  O   . HOH H 6 .   ? -0.953  28.090 1.546   1.00 28.07 ? 1119 HOH A O   1 
HETATM 1197 O  O   . HOH H 6 .   ? 3.852   19.855 0.756   1.00 11.73 ? 1120 HOH A O   1 
HETATM 1198 O  O   . HOH H 6 .   ? 6.607   12.668 13.064  1.00 35.17 ? 1121 HOH A O   1 
HETATM 1199 O  O   . HOH H 6 .   ? -7.167  4.451  13.099  1.00 31.37 ? 1122 HOH A O   1 
HETATM 1200 O  O   . HOH H 6 .   ? -13.849 7.145  10.763  1.00 14.56 ? 1123 HOH A O   1 
HETATM 1201 O  O   . HOH H 6 .   ? -25.097 5.729  23.647  1.00 26.75 ? 1124 HOH A O   1 
HETATM 1202 O  O   . HOH H 6 .   ? -29.349 13.051 22.359  1.00 31.03 ? 1125 HOH A O   1 
HETATM 1203 O  O   . HOH H 6 .   ? -18.516 14.537 -3.290  1.00 42.40 ? 1126 HOH A O   1 
HETATM 1204 O  O   . HOH H 6 .   ? -23.538 27.266 13.718  1.00 37.01 ? 1127 HOH A O   1 
HETATM 1205 O  O   . HOH H 6 .   ? -1.081  23.619 14.312  1.00 13.47 ? 1128 HOH A O   1 
HETATM 1206 O  O   . HOH H 6 .   ? -11.147 10.100 25.473  1.00 38.87 ? 1129 HOH A O   1 
HETATM 1207 O  O   . HOH H 6 .   ? -8.874  11.236 25.513  1.00 41.53 ? 1130 HOH A O   1 
HETATM 1208 O  O   . HOH H 6 .   ? -22.125 11.512 6.184   1.00 19.25 ? 1131 HOH A O   1 
HETATM 1209 O  O   . HOH H 6 .   ? -21.031 6.877  5.481   1.00 33.51 ? 1132 HOH A O   1 
HETATM 1210 O  O   . HOH H 6 .   ? -8.042  18.520 -10.141 1.00 13.93 ? 1133 HOH A O   1 
HETATM 1211 O  O   . HOH H 6 .   ? -23.107 4.027  19.651  1.00 35.96 ? 1134 HOH A O   1 
HETATM 1212 O  O   . HOH H 6 .   ? -17.811 17.249 1.311   1.00 21.23 ? 1135 HOH A O   1 
HETATM 1213 O  O   . HOH H 6 .   ? -9.560  30.330 19.997  1.00 31.16 ? 1136 HOH A O   1 
HETATM 1214 O  O   . HOH H 6 .   ? -19.372 6.340  0.041   1.00 44.83 ? 1137 HOH A O   1 
HETATM 1215 O  O   . HOH H 6 .   ? -0.765  28.660 5.197   1.00 19.80 ? 1138 HOH A O   1 
HETATM 1216 O  O   . HOH H 6 .   ? -9.298  29.742 11.770  1.00 26.25 ? 1139 HOH A O   1 
HETATM 1217 O  O   . HOH H 6 .   ? -20.992 18.144 -1.092  1.00 19.97 ? 1140 HOH A O   1 
HETATM 1218 O  O   . HOH H 6 .   ? -8.532  31.290 13.923  1.00 51.01 ? 1141 HOH A O   1 
HETATM 1219 O  O   . HOH H 6 .   ? -8.016  12.504 -5.726  1.00 30.71 ? 1142 HOH A O   1 
HETATM 1220 O  O   . HOH H 6 .   ? -8.220  27.059 15.987  1.00 14.25 ? 1143 HOH A O   1 
HETATM 1221 O  O   . HOH H 6 .   ? -20.032 -3.862 15.029  1.00 59.04 ? 1144 HOH A O   1 
HETATM 1222 O  O   . HOH H 6 .   ? -4.875  9.649  21.202  1.00 15.88 ? 1145 HOH A O   1 
HETATM 1223 O  O   . HOH H 6 .   ? -7.074  30.980 17.105  1.00 38.95 ? 1146 HOH A O   1 
HETATM 1224 O  O   . HOH H 6 .   ? -24.078 0.089  16.864  1.00 48.83 ? 1147 HOH A O   1 
HETATM 1225 O  O   . HOH H 6 .   ? -19.837 7.385  21.343  1.00 23.73 ? 1148 HOH A O   1 
HETATM 1226 O  O   . HOH H 6 .   ? -10.731 5.846  8.263   1.00 32.74 ? 1149 HOH A O   1 
HETATM 1227 O  O   . HOH H 6 .   ? -17.249 0.394  11.853  1.00 27.15 ? 1150 HOH A O   1 
HETATM 1228 O  O   . HOH H 6 .   ? -0.415  9.939  9.984   1.00 34.27 ? 1151 HOH A O   1 
HETATM 1229 O  O   . HOH H 6 .   ? -17.514 2.582  10.258  1.00 40.18 ? 1152 HOH A O   1 
HETATM 1230 O  O   . HOH H 6 .   ? -16.789 29.627 16.822  1.00 29.56 ? 1153 HOH A O   1 
HETATM 1231 O  O   . HOH H 6 .   ? 0.716   12.624 3.252   1.00 18.97 ? 1154 HOH A O   1 
HETATM 1232 O  O   . HOH H 6 .   ? 8.486   14.301 3.611   1.00 14.76 ? 1155 HOH A O   1 
HETATM 1233 O  O   . HOH H 6 .   ? -4.806  20.290 21.371  1.00 10.87 ? 1156 HOH A O   1 
HETATM 1234 O  O   . HOH H 6 .   ? -12.157 18.351 -11.723 1.00 40.99 ? 1157 HOH A O   1 
HETATM 1235 O  O   . HOH H 6 .   ? -2.187  29.644 9.143   1.00 26.88 ? 1158 HOH A O   1 
HETATM 1236 O  O   . HOH H 6 .   ? -18.758 30.787 11.786  1.00 33.32 ? 1159 HOH A O   1 
HETATM 1237 O  O   . HOH H 6 .   ? -13.843 28.675 3.682   1.00 36.48 ? 1160 HOH A O   1 
HETATM 1238 O  O   . HOH H 6 .   ? -11.263 3.195  20.491  1.00 33.45 ? 1161 HOH A O   1 
HETATM 1239 O  O   . HOH H 6 .   ? -27.785 24.057 9.700   1.00 40.49 ? 1162 HOH A O   1 
HETATM 1240 O  O   . HOH H 6 .   ? 4.248   14.178 12.657  1.00 37.69 ? 1163 HOH A O   1 
HETATM 1241 O  O   . HOH H 6 .   ? -16.267 21.018 21.812  1.00 13.70 ? 1164 HOH A O   1 
HETATM 1242 O  O   . HOH H 6 .   ? -9.509  4.824  20.091  1.00 25.78 ? 1165 HOH A O   1 
HETATM 1243 O  O   . HOH H 6 .   ? -31.135 12.213 19.307  1.00 34.84 ? 1166 HOH A O   1 
HETATM 1244 O  O   . HOH H 6 .   ? -4.484  30.168 6.966   1.00 20.53 ? 1167 HOH A O   1 
HETATM 1245 O  O   . HOH H 6 .   ? 2.836   15.209 10.123  1.00 17.34 ? 1168 HOH A O   1 
HETATM 1246 O  O   . HOH H 6 .   ? 4.392   22.117 2.326   1.00 16.28 ? 1169 HOH A O   1 
HETATM 1247 O  O   . HOH H 6 .   ? -18.026 -1.547 14.964  1.00 51.63 ? 1170 HOH A O   1 
HETATM 1248 O  O   . HOH H 6 .   ? 1.133   22.405 12.987  1.00 10.19 ? 1171 HOH A O   1 
HETATM 1249 O  O   . HOH H 6 .   ? -3.010  23.392 17.873  1.00 12.42 ? 1172 HOH A O   1 
HETATM 1250 O  O   . HOH H 6 .   ? -24.922 17.425 4.440   1.00 25.04 ? 1173 HOH A O   1 
HETATM 1251 O  O   . HOH H 6 .   ? -15.305 19.791 19.825  1.00 12.74 ? 1174 HOH A O   1 
HETATM 1252 O  O   . HOH H 6 .   ? -8.079  27.798 0.647   1.00 30.89 ? 1175 HOH A O   1 
HETATM 1253 O  O   . HOH H 6 .   ? -9.528  20.269 21.013  1.00 12.79 ? 1176 HOH A O   1 
HETATM 1254 O  O   . HOH H 6 .   ? -4.412  7.244  10.606  1.00 25.08 ? 1177 HOH A O   1 
HETATM 1255 O  O   . HOH H 6 .   ? -15.237 0.097  10.244  1.00 30.07 ? 1178 HOH A O   1 
HETATM 1256 O  O   . HOH H 6 .   ? 3.638   25.064 4.075   1.00 19.57 ? 1179 HOH A O   1 
HETATM 1257 O  O   . HOH H 6 .   ? -12.774 32.747 4.848   1.00 28.15 ? 1180 HOH A O   1 
HETATM 1258 O  O   . HOH H 6 .   ? -9.508  0.429  20.517  1.00 31.95 ? 1181 HOH A O   1 
HETATM 1259 O  O   . HOH H 6 .   ? -19.913 27.801 17.408  1.00 39.66 ? 1182 HOH A O   1 
HETATM 1260 O  O   . HOH H 6 .   ? -15.082 17.605 -0.193  1.00 15.73 ? 1183 HOH A O   1 
HETATM 1261 O  O   . HOH H 6 .   ? -4.943  9.756  1.408   1.00 23.16 ? 1184 HOH A O   1 
HETATM 1262 O  O   . HOH H 6 .   ? -17.173 24.269 23.041  1.00 35.75 ? 1185 HOH A O   1 
HETATM 1263 O  O   . HOH H 6 .   ? 2.542   27.298 5.265   1.00 21.28 ? 1186 HOH A O   1 
HETATM 1264 O  O   . HOH H 6 .   ? -15.772 3.484  20.611  1.00 21.40 ? 1187 HOH A O   1 
HETATM 1265 O  O   . HOH H 6 .   ? -15.603 25.753 15.320  1.00 17.43 ? 1188 HOH A O   1 
HETATM 1266 O  O   . HOH H 6 .   ? -11.247 11.855 -2.543  1.00 21.24 ? 1189 HOH A O   1 
HETATM 1267 O  O   . HOH H 6 .   ? -16.497 17.256 19.774  1.00 13.37 ? 1190 HOH A O   1 
HETATM 1268 O  O   . HOH H 6 .   ? -14.868 1.354  6.314   1.00 41.02 ? 1191 HOH A O   1 
HETATM 1269 O  O   . HOH H 6 .   ? -17.166 28.400 8.820   1.00 23.57 ? 1192 HOH A O   1 
HETATM 1270 O  O   . HOH H 6 .   ? 3.608   23.167 16.647  1.00 17.59 ? 1193 HOH A O   1 
HETATM 1271 O  O   . HOH H 6 .   ? -22.334 13.723 4.474   1.00 19.95 ? 1194 HOH A O   1 
HETATM 1272 O  O   . HOH H 6 .   ? -8.504  34.785 9.468   1.00 42.20 ? 1195 HOH A O   1 
HETATM 1273 O  O   . HOH H 6 .   ? -2.539  8.969  11.920  1.00 35.06 ? 1196 HOH A O   1 
HETATM 1274 O  O   . HOH H 6 .   ? -27.990 27.532 16.599  1.00 31.16 ? 1197 HOH A O   1 
HETATM 1275 O  O   . HOH H 6 .   ? 9.206   20.858 17.087  1.00 16.00 ? 1198 HOH A O   1 
HETATM 1276 O  O   . HOH H 6 .   ? -31.379 14.841 18.594  1.00 32.89 ? 1199 HOH A O   1 
HETATM 1277 O  O   . HOH H 6 .   ? -21.117 15.927 24.273  1.00 58.76 ? 1200 HOH A O   1 
HETATM 1278 O  O   . HOH H 6 .   ? -21.333 11.172 3.471   1.00 29.32 ? 1201 HOH A O   1 
HETATM 1279 O  O   . HOH H 6 .   ? -11.657 6.755  1.973   1.00 30.66 ? 1202 HOH A O   1 
HETATM 1280 O  O   . HOH H 6 .   ? -28.889 9.051  5.709   1.00 38.14 ? 1203 HOH A O   1 
HETATM 1281 O  O   . HOH H 6 .   ? -30.619 18.632 16.093  1.00 43.01 ? 1204 HOH A O   1 
HETATM 1282 O  O   . HOH H 6 .   ? 3.037   14.611 5.515   1.00 14.32 ? 1205 HOH A O   1 
HETATM 1283 O  O   . HOH H 6 .   ? -26.723 23.640 2.978   1.00 26.91 ? 1206 HOH A O   1 
HETATM 1284 O  O   . HOH H 6 .   ? -6.712  29.805 -0.207  1.00 42.86 ? 1207 HOH A O   1 
HETATM 1285 O  O   . HOH H 6 .   ? -6.421  33.222 5.956   1.00 37.50 ? 1208 HOH A O   1 
HETATM 1286 O  O   . HOH H 6 .   ? -33.074 17.557 11.573  1.00 39.97 ? 1209 HOH A O   1 
HETATM 1287 O  O   . HOH H 6 .   ? -16.756 8.179  25.335  1.00 45.92 ? 1210 HOH A O   1 
HETATM 1288 O  O   . HOH H 6 .   ? -22.888 14.130 21.532  1.00 21.19 ? 1211 HOH A O   1 
HETATM 1289 O  O   . HOH H 6 .   ? 7.569   27.845 8.795   1.00 45.77 ? 1212 HOH A O   1 
HETATM 1290 O  O   . HOH H 6 .   ? 6.320   23.847 5.090   1.00 18.36 ? 1213 HOH A O   1 
HETATM 1291 O  O   . HOH H 6 .   ? -6.656  6.030  2.337   1.00 40.38 ? 1214 HOH A O   1 
HETATM 1292 O  O   . HOH H 6 .   ? 0.172   14.541 9.911   1.00 12.35 ? 1215 HOH A O   1 
HETATM 1293 O  O   . HOH H 6 .   ? -26.806 15.024 7.763   1.00 26.81 ? 1216 HOH A O   1 
HETATM 1294 O  O   . HOH H 6 .   ? -34.922 8.033  18.439  1.00 53.58 ? 1217 HOH A O   1 
HETATM 1295 O  O   . HOH H 6 .   ? -10.567 28.688 1.121   1.00 37.66 ? 1218 HOH A O   1 
HETATM 1296 O  O   . HOH H 6 .   ? -9.232  24.676 20.524  1.00 22.93 ? 1219 HOH A O   1 
HETATM 1297 O  O   . HOH H 6 .   ? 0.615   12.068 8.841   1.00 20.00 ? 1220 HOH A O   1 
HETATM 1298 O  O   . HOH H 6 .   ? -21.984 6.003  22.146  1.00 31.10 ? 1221 HOH A O   1 
HETATM 1299 O  O   . HOH H 6 .   ? -3.522  26.442 -0.023  1.00 38.66 ? 1222 HOH A O   1 
HETATM 1300 O  O   . HOH H 6 .   ? -23.617 23.617 0.574   1.00 33.98 ? 1223 HOH A O   1 
HETATM 1301 O  O   . HOH H 6 .   ? -22.132 8.883  25.053  1.00 57.93 ? 1224 HOH A O   1 
HETATM 1302 O  O   . HOH H 6 .   ? -2.963  10.000 14.489  1.00 14.51 ? 1225 HOH A O   1 
HETATM 1303 O  O   . HOH H 6 .   ? -24.702 13.904 6.260   1.00 20.06 ? 1226 HOH A O   1 
HETATM 1304 O  O   . HOH H 6 .   ? -14.652 5.436  8.665   1.00 22.21 ? 1227 HOH A O   1 
HETATM 1305 O  O   . HOH H 6 .   ? -19.802 13.629 25.047  1.00 36.36 ? 1228 HOH A O   1 
HETATM 1306 O  O   . HOH H 6 .   ? -20.781 32.495 10.763  1.00 71.16 ? 1229 HOH A O   1 
HETATM 1307 O  O   . HOH H 6 .   ? -6.546  28.157 13.972  1.00 22.43 ? 1230 HOH A O   1 
HETATM 1308 O  O   . HOH H 6 .   ? -36.706 8.319  1.843   1.00 56.18 ? 1231 HOH A O   1 
HETATM 1309 O  O   . HOH H 6 .   ? -21.496 4.050  9.822   1.00 39.52 ? 1232 HOH A O   1 
HETATM 1310 O  O   . HOH H 6 .   ? -7.611  25.256 -0.833  1.00 27.45 ? 1233 HOH A O   1 
HETATM 1311 O  O   . HOH H 6 .   ? -15.341 12.381 25.338  1.00 12.47 ? 1234 HOH A O   1 
HETATM 1312 O  O   . HOH H 6 .   ? -12.630 25.832 0.742   1.00 18.06 ? 1235 HOH A O   1 
HETATM 1313 O  O   . HOH H 6 .   ? -23.933 18.763 22.160  1.00 31.79 ? 1236 HOH A O   1 
HETATM 1314 O  O   . HOH H 6 .   ? -17.600 24.135 -1.267  1.00 27.28 ? 1237 HOH A O   1 
HETATM 1315 O  O   . HOH H 6 .   ? 10.638  23.642 13.400  1.00 36.10 ? 1238 HOH A O   1 
HETATM 1316 O  O   . HOH H 6 .   ? -0.262  30.471 13.558  1.00 38.99 ? 1239 HOH A O   1 
HETATM 1317 O  O   . HOH H 6 .   ? 3.551   29.306 6.834   1.00 41.31 ? 1240 HOH A O   1 
HETATM 1318 O  O   . HOH H 6 .   ? 0.368   31.401 9.113   1.00 46.25 ? 1241 HOH A O   1 
HETATM 1319 O  O   . HOH H 6 .   ? -19.344 11.358 -3.570  1.00 39.61 ? 1242 HOH A O   1 
HETATM 1320 O  O   . HOH H 6 .   ? -4.349  25.776 18.162  1.00 24.08 ? 1243 HOH A O   1 
HETATM 1321 O  O   . HOH H 6 .   ? -24.830 18.411 -0.749  1.00 39.36 ? 1244 HOH A O   1 
HETATM 1322 O  O   . HOH H 6 .   ? -17.023 20.832 27.062  1.00 40.48 ? 1245 HOH A O   1 
HETATM 1323 O  O   . HOH H 6 .   ? -29.087 3.685  22.843  1.00 18.91 ? 1246 HOH A O   1 
HETATM 1324 O  O   . HOH H 6 .   ? -21.295 2.484  23.226  1.00 53.23 ? 1247 HOH A O   1 
HETATM 1325 O  O   . HOH H 6 .   ? -8.121  5.152  8.464   1.00 51.52 ? 1248 HOH A O   1 
HETATM 1326 O  O   . HOH H 6 .   ? -27.000 16.848 6.075   1.00 27.36 ? 1249 HOH A O   1 
HETATM 1327 O  O   . HOH H 6 .   ? -17.506 27.677 15.234  1.00 26.05 ? 1250 HOH A O   1 
HETATM 1328 O  O   . HOH H 6 .   ? 0.605   30.325 3.634   1.00 43.12 ? 1251 HOH A O   1 
HETATM 1329 O  O   . HOH H 6 .   ? -2.835  32.388 7.021   1.00 41.35 ? 1252 HOH A O   1 
HETATM 1330 O  O   . HOH H 6 .   ? -0.469  19.585 20.324  0.50 6.67  ? 1253 HOH A O   1 
HETATM 1331 O  O   . HOH H 6 .   ? -22.766 1.582  18.520  1.00 55.66 ? 1254 HOH A O   1 
HETATM 1332 O  O   . HOH H 6 .   ? -6.272  5.265  11.125  1.00 31.73 ? 1255 HOH A O   1 
HETATM 1333 O  O   . HOH H 6 .   ? -0.706  18.614 1.119   1.00 87.99 ? 1256 HOH A O   1 
HETATM 1334 O  O   . HOH H 6 .   ? -11.997 27.311 23.494  1.00 47.01 ? 1257 HOH A O   1 
HETATM 1335 O  O   . HOH H 6 .   ? 1.460   21.759 20.647  1.00 11.30 ? 1258 HOH A O   1 
HETATM 1336 O  O   . HOH H 6 .   ? 1.610   23.655 18.619  1.00 18.12 ? 1259 HOH A O   1 
HETATM 1337 O  O   . HOH H 6 .   ? -13.970 8.783  -4.273  1.00 63.12 ? 1260 HOH A O   1 
HETATM 1338 O  O   . HOH H 6 .   ? -7.128  3.335  20.255  1.00 46.44 ? 1261 HOH A O   1 
HETATM 1339 O  O   . HOH H 6 .   ? -0.636  26.866 16.128  1.00 49.54 ? 1262 HOH A O   1 
HETATM 1340 O  O   . HOH H 6 .   ? -6.205  3.021  15.404  1.00 58.10 ? 1263 HOH A O   1 
HETATM 1341 O  O   . HOH H 6 .   ? -9.136  27.213 20.219  1.00 38.37 ? 1264 HOH A O   1 
HETATM 1342 O  O   . HOH H 6 .   ? -11.360 20.873 -6.602  1.00 43.10 ? 1265 HOH A O   1 
HETATM 1343 O  O   . HOH H 6 .   ? -14.639 23.721 25.190  1.00 42.03 ? 1266 HOH A O   1 
HETATM 1344 O  O   . HOH H 6 .   ? -26.389 3.679  14.007  1.00 46.93 ? 1267 HOH A O   1 
HETATM 1345 O  O   . HOH H 6 .   ? -20.686 24.248 22.350  1.00 49.68 ? 1268 HOH A O   1 
HETATM 1346 O  O   . HOH H 6 .   ? -6.065  8.361  23.130  1.00 40.05 ? 1269 HOH A O   1 
HETATM 1347 O  O   . HOH H 6 .   ? -7.429  27.702 18.454  1.00 38.43 ? 1270 HOH A O   1 
HETATM 1348 O  O   . HOH H 6 .   ? 7.992   25.673 6.500   1.00 51.70 ? 1271 HOH A O   1 
HETATM 1349 O  O   . HOH H 6 .   ? -29.380 18.803 20.742  1.00 38.26 ? 1272 HOH A O   1 
HETATM 1350 O  O   . HOH H 6 .   ? 10.682  22.875 15.960  1.00 26.32 ? 1273 HOH A O   1 
HETATM 1351 O  O   . HOH H 6 .   ? 3.387   12.801 9.297   1.00 33.45 ? 1274 HOH A O   1 
HETATM 1352 O  O   . HOH H 6 .   ? -1.759  19.893 0.876   1.00 13.25 ? 1275 HOH A O   1 
HETATM 1353 O  O   . HOH H 6 .   ? 4.209   12.266 6.662   1.00 38.60 ? 1276 HOH A O   1 
HETATM 1354 O  O   . HOH H 6 .   ? -0.766  30.695 6.775   1.00 42.06 ? 1277 HOH A O   1 
HETATM 1355 O  O   . HOH H 6 .   ? -1.205  8.716  16.177  1.00 35.02 ? 1278 HOH A O   1 
HETATM 1356 O  O   . HOH H 6 .   ? 1.763   7.795  10.929  1.00 38.05 ? 1279 HOH A O   1 
HETATM 1357 O  O   . HOH H 6 .   ? -9.631  6.748  3.608   1.00 38.16 ? 1280 HOH A O   1 
HETATM 1358 O  O   . HOH H 6 .   ? -0.000  26.025 -0.000  0.50 59.90 ? 1281 HOH A O   1 
HETATM 1359 O  O   . HOH H 6 .   ? -13.378 8.768  24.901  1.00 52.29 ? 1282 HOH A O   1 
HETATM 1360 O  O   . HOH H 6 .   ? 0.731   10.037 19.178  1.00 23.24 ? 1283 HOH A O   1 
HETATM 1361 O  O   . HOH H 6 .   ? -13.020 21.944 29.476  1.00 51.31 ? 1284 HOH A O   1 
HETATM 1362 O  O   . HOH H 6 .   ? -30.615 15.192 21.284  1.00 49.30 ? 1285 HOH A O   1 
HETATM 1363 O  O   . HOH H 6 .   ? -0.000  21.923 -0.000  0.50 42.20 ? 1286 HOH A O   1 
HETATM 1364 O  O   . HOH H 6 .   ? -0.560  24.232 16.934  1.00 15.99 ? 1287 HOH A O   1 
HETATM 1365 O  O   . HOH H 6 .   ? -14.946 28.477 0.765   1.00 51.24 ? 1288 HOH A O   1 
HETATM 1366 O  O   . HOH H 6 .   ? -19.979 7.848  -2.247  1.00 56.69 ? 1289 HOH A O   1 
HETATM 1367 O  O   . HOH H 6 .   ? -9.782  6.243  5.993   1.00 37.55 ? 1290 HOH A O   1 
HETATM 1368 O  O   . HOH H 6 .   ? -30.445 2.620  11.548  1.00 43.05 ? 1291 HOH A O   1 
HETATM 1369 O  O   . HOH H 6 .   ? -11.977 7.457  -0.843  1.00 41.33 ? 1292 HOH A O   1 
HETATM 1370 O  O   . HOH H 6 .   ? -15.858 14.639 30.084  1.00 41.70 ? 1293 HOH A O   1 
HETATM 1371 O  O   . HOH H 6 .   ? -21.522 10.312 -1.866  1.00 47.44 ? 1294 HOH A O   1 
HETATM 1372 O  O   . HOH H 6 .   ? -1.226  5.295  21.531  1.00 68.88 ? 1295 HOH A O   1 
HETATM 1373 O  O   . HOH H 6 .   ? -6.075  1.134  10.429  1.00 51.17 ? 1296 HOH A O   1 
HETATM 1374 O  O   . HOH H 6 .   ? -23.992 16.161 22.419  1.00 32.85 ? 1297 HOH A O   1 
HETATM 1375 O  O   . HOH H 6 .   ? -7.211  21.926 21.371  1.00 15.45 ? 1298 HOH A O   1 
HETATM 1376 O  O   . HOH H 6 .   ? 8.892   24.839 17.476  1.00 38.92 ? 1299 HOH A O   1 
HETATM 1377 O  O   . HOH H 6 .   ? -9.936  22.281 -4.420  1.00 46.81 ? 1300 HOH A O   1 
HETATM 1378 O  O   . HOH H 6 .   ? -20.170 15.579 -1.480  1.00 31.47 ? 1301 HOH A O   1 
HETATM 1379 O  O   . HOH H 6 .   ? 3.402   9.569  6.388   1.00 34.80 ? 1302 HOH A O   1 
HETATM 1380 O  O   . HOH H 6 .   ? -6.829  23.187 -2.402  1.00 28.14 ? 1303 HOH A O   1 
HETATM 1381 O  O   . HOH H 6 .   ? -4.335  25.726 21.000  1.00 36.92 ? 1304 HOH A O   1 
HETATM 1382 O  O   . HOH H 6 .   ? -3.080  28.064 16.479  1.00 40.22 ? 1305 HOH A O   1 
HETATM 1383 O  O   . HOH H 6 .   ? 1.696   28.261 2.520   1.00 30.89 ? 1306 HOH A O   1 
HETATM 1384 O  O   . HOH H 6 .   ? -25.587 12.074 4.283   1.00 52.46 ? 1307 HOH A O   1 
HETATM 1385 O  O   . HOH H 6 .   ? -22.302 0.036  22.387  1.00 56.52 ? 1308 HOH A O   1 
HETATM 1386 O  O   . HOH H 6 .   ? -12.262 31.238 22.544  1.00 51.38 ? 1309 HOH A O   1 
HETATM 1387 O  O   . HOH H 6 .   ? -1.130  6.236  12.822  1.00 36.38 ? 1310 HOH A O   1 
HETATM 1388 O  O   . HOH H 6 .   ? 3.766   25.567 15.864  1.00 48.10 ? 1311 HOH A O   1 
HETATM 1389 O  O   . HOH H 6 .   ? -13.778 2.652  22.025  1.00 30.55 ? 1312 HOH A O   1 
HETATM 1390 O  O   . HOH H 6 .   ? -18.462 15.642 28.940  1.00 62.96 ? 1313 HOH A O   1 
HETATM 1391 O  O   . HOH H 6 .   ? -14.695 -0.232 22.698  1.00 46.17 ? 1314 HOH A O   1 
HETATM 1392 O  O   . HOH H 6 .   ? -14.842 29.052 25.224  1.00 45.29 ? 1315 HOH A O   1 
HETATM 1393 O  O   . HOH H 6 .   ? -28.351 -0.354 13.913  1.00 67.67 ? 1316 HOH A O   1 
# 
