data_9GC9
# 
_entry.id   9GC9 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_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   9GC9         pdb_00009gc9 10.2210/pdb9gc9/pdb 
WWPDB D_1292140755 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-11-27 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9GC9 
_pdbx_database_status.recvd_initial_deposition_date   2024-08-01 
_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           N 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB . 9GBH unspecified 
PDB . 9GC1 unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              martina.schaefer@nuvisan.com 
_pdbx_contact_author.name_first         Martina 
_pdbx_contact_author.name_last          Schaefer 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-3640-6435 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Schaefer, M.'  1 0000-0003-3640-6435 
'Fuerstner, C.' 2 0000-0001-7370-5341 
# 
_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            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
;Discovery and Preclinical Characterization of Fulacimstat (BAY 1142524), a Potent and Selective Chymase Inhibitor As a New Profibrinolytic Approach for Safe Thrombus Resolution.
;
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.jmedchem.4c01819 
_citation.pdbx_database_id_PubMed   39541507 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Furstner, C.'        1  0000-0001-7370-5341 
primary 'Ackerstaff, J.'      2  ?                   
primary 'Meier, H.'           3  ?                   
primary 'Straub, A.'          4  ?                   
primary 'Mittendorf, J.'      5  ?                   
primary 'Schamberger, J.'     6  ?                   
primary 'Schafer, M.'         7  ?                   
primary 'Borngen, K.'         8  ?                   
primary 'Jorissen, H.'        9  ?                   
primary 'Zubov, D.'           10 ?                   
primary 'Zimmermann, K.'      11 ?                   
primary 'Tersteegen, A.'      12 ?                   
primary 'Geiss, V.'           13 ?                   
primary 'Hartmann, E.'        14 ?                   
primary 'Albrecht-Kupper, B.' 15 ?                   
primary 
;D'Orleans-Juste, P.
;
16 ?                   
primary 'Lapointe, C.'        17 ?                   
primary 'Vincent, L.'         18 ?                   
primary 'Heitmeier, S.'       19 ?                   
primary 'Tinel, H.'           20 ?                   
# 
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 Chymase 25019.871 1   3.4.21.39 'F127K, V208A, R235Q' ? ? 
2 branched    man '2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose' 424.401   1   ? ? ? ? 
3 non-polymer syn 2-acetamido-2-deoxy-beta-D-glucopyranose 221.208   1   ?         ?                     ? ? 
4 non-polymer syn 
;3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)-1-[4-(2-oxidanylideneimidazolidin-1-yl)phenyl]pyrimidine-5-carboxylic acid
;
488.416   1   ?         ?                     ? ? 
5 non-polymer syn 'ZINC ION' 65.409    1   ?         ?                     ? ? 
6 water       nat water 18.015    214 ?         ?                     ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Alpha-chymase,Mast cell protease I' 
# 
_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       
;IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPK
YNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQRNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDF
DHNLQLCVGNPRKTKSAFKGDSGGPLLCAGAAQGIVSYGRSDAKPPAVFTRISHYQPWINQILQAN
;
_entity_poly.pdbx_seq_one_letter_code_can   
;IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPK
YNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQRNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDF
DHNLQLCVGNPRKTKSAFKGDSGGPLLCAGAAQGIVSYGRSDAKPPAVFTRISHYQPWINQILQAN
;
_entity_poly.pdbx_strand_id                 AAA 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 2-acetamido-2-deoxy-beta-D-glucopyranose NAG   
4 
;3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)-1-[4-(2-oxidanylideneimidazolidin-1-yl)phenyl]pyrimidine-5-carboxylic acid
;
A1IJ3 
5 'ZINC ION' ZN    
6 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ILE n 
1 2   ILE n 
1 3   GLY n 
1 4   GLY n 
1 5   THR n 
1 6   GLU n 
1 7   CYS n 
1 8   LYS n 
1 9   PRO n 
1 10  HIS n 
1 11  SER n 
1 12  ARG n 
1 13  PRO n 
1 14  TYR n 
1 15  MET n 
1 16  ALA n 
1 17  TYR n 
1 18  LEU n 
1 19  GLU n 
1 20  ILE n 
1 21  VAL n 
1 22  THR n 
1 23  SER n 
1 24  ASN n 
1 25  GLY n 
1 26  PRO n 
1 27  SER n 
1 28  LYS n 
1 29  PHE n 
1 30  CYS n 
1 31  GLY n 
1 32  GLY n 
1 33  PHE n 
1 34  LEU n 
1 35  ILE n 
1 36  ARG n 
1 37  ARG n 
1 38  ASN n 
1 39  PHE n 
1 40  VAL n 
1 41  LEU n 
1 42  THR n 
1 43  ALA n 
1 44  ALA n 
1 45  HIS n 
1 46  CYS n 
1 47  ALA n 
1 48  GLY n 
1 49  ARG n 
1 50  SER n 
1 51  ILE n 
1 52  THR n 
1 53  VAL n 
1 54  THR n 
1 55  LEU n 
1 56  GLY n 
1 57  ALA n 
1 58  HIS n 
1 59  ASN n 
1 60  ILE n 
1 61  THR n 
1 62  GLU n 
1 63  GLU n 
1 64  GLU n 
1 65  ASP n 
1 66  THR n 
1 67  TRP n 
1 68  GLN n 
1 69  LYS n 
1 70  LEU n 
1 71  GLU n 
1 72  VAL n 
1 73  ILE n 
1 74  LYS n 
1 75  GLN n 
1 76  PHE n 
1 77  ARG n 
1 78  HIS n 
1 79  PRO n 
1 80  LYS n 
1 81  TYR n 
1 82  ASN n 
1 83  THR n 
1 84  SER n 
1 85  THR n 
1 86  LEU n 
1 87  HIS n 
1 88  HIS n 
1 89  ASP n 
1 90  ILE n 
1 91  MET n 
1 92  LEU n 
1 93  LEU n 
1 94  LYS n 
1 95  LEU n 
1 96  LYS n 
1 97  GLU n 
1 98  LYS n 
1 99  ALA n 
1 100 SER n 
1 101 LEU n 
1 102 THR n 
1 103 LEU n 
1 104 ALA n 
1 105 VAL n 
1 106 GLY n 
1 107 THR n 
1 108 LEU n 
1 109 PRO n 
1 110 PHE n 
1 111 PRO n 
1 112 SER n 
1 113 GLN n 
1 114 ARG n 
1 115 ASN n 
1 116 PHE n 
1 117 VAL n 
1 118 PRO n 
1 119 PRO n 
1 120 GLY n 
1 121 ARG n 
1 122 MET n 
1 123 CYS n 
1 124 ARG n 
1 125 VAL n 
1 126 ALA n 
1 127 GLY n 
1 128 TRP n 
1 129 GLY n 
1 130 ARG n 
1 131 THR n 
1 132 GLY n 
1 133 VAL n 
1 134 LEU n 
1 135 LYS n 
1 136 PRO n 
1 137 GLY n 
1 138 SER n 
1 139 ASP n 
1 140 THR n 
1 141 LEU n 
1 142 GLN n 
1 143 GLU n 
1 144 VAL n 
1 145 LYS n 
1 146 LEU n 
1 147 ARG n 
1 148 LEU n 
1 149 MET n 
1 150 ASP n 
1 151 PRO n 
1 152 GLN n 
1 153 ALA n 
1 154 CYS n 
1 155 SER n 
1 156 HIS n 
1 157 PHE n 
1 158 ARG n 
1 159 ASP n 
1 160 PHE n 
1 161 ASP n 
1 162 HIS n 
1 163 ASN n 
1 164 LEU n 
1 165 GLN n 
1 166 LEU n 
1 167 CYS n 
1 168 VAL n 
1 169 GLY n 
1 170 ASN n 
1 171 PRO n 
1 172 ARG n 
1 173 LYS n 
1 174 THR n 
1 175 LYS n 
1 176 SER n 
1 177 ALA n 
1 178 PHE n 
1 179 LYS n 
1 180 GLY n 
1 181 ASP n 
1 182 SER n 
1 183 GLY n 
1 184 GLY n 
1 185 PRO n 
1 186 LEU n 
1 187 LEU n 
1 188 CYS n 
1 189 ALA n 
1 190 GLY n 
1 191 ALA n 
1 192 ALA n 
1 193 GLN n 
1 194 GLY n 
1 195 ILE n 
1 196 VAL n 
1 197 SER n 
1 198 TYR n 
1 199 GLY n 
1 200 ARG n 
1 201 SER n 
1 202 ASP n 
1 203 ALA n 
1 204 LYS n 
1 205 PRO n 
1 206 PRO n 
1 207 ALA n 
1 208 VAL n 
1 209 PHE n 
1 210 THR n 
1 211 ARG n 
1 212 ILE n 
1 213 SER n 
1 214 HIS n 
1 215 TYR n 
1 216 GLN n 
1 217 PRO n 
1 218 TRP n 
1 219 ILE n 
1 220 ASN n 
1 221 GLN n 
1 222 ILE n 
1 223 LEU n 
1 224 GLN n 
1 225 ALA n 
1 226 ASN 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                   226 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'CMA1, CYH, CYM' 
_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      'Insect cell expression vector pTIE1' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     266783 
_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                   ? 
# 
_pdbx_entity_branch.entity_id   2 
_pdbx_entity_branch.type        oligosaccharide 
# 
loop_
_pdbx_entity_branch_descriptor.ordinal 
_pdbx_entity_branch_descriptor.entity_id 
_pdbx_entity_branch_descriptor.descriptor 
_pdbx_entity_branch_descriptor.type 
_pdbx_entity_branch_descriptor.program 
_pdbx_entity_branch_descriptor.program_version 
1 2 DGlcpNAcb1-4DGlcpNAcb1-ROH                            'Glycam Condensed Sequence' GMML       1.0   
2 2 'WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1' WURCS                       PDB2Glycan 1.1.0 
3 2 '[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}'       LINUCS                      PDB-CARE   ?     
# 
_pdbx_entity_branch_link.link_id                    1 
_pdbx_entity_branch_link.entity_id                  2 
_pdbx_entity_branch_link.entity_branch_list_num_1   2 
_pdbx_entity_branch_link.comp_id_1                  NAG 
_pdbx_entity_branch_link.atom_id_1                  C1 
_pdbx_entity_branch_link.leaving_atom_id_1          O1 
_pdbx_entity_branch_link.entity_branch_list_num_2   1 
_pdbx_entity_branch_link.comp_id_2                  NAG 
_pdbx_entity_branch_link.atom_id_2                  O4 
_pdbx_entity_branch_link.leaving_atom_id_2          HO4 
_pdbx_entity_branch_link.value_order                sing 
_pdbx_entity_branch_link.details                    ? 
# 
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 
A1IJ3 non-polymer                  . 
;3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)-1-[4-(2-oxidanylideneimidazolidin-1-yl)phenyl]pyrimidine-5-carboxylic acid
;
? 'C23 H19 F3 N4 O5' 488.416 
ALA   'L-peptide linking'          y ALANINE ? 'C3 H7 N O2'       89.093  
ARG   'L-peptide linking'          y ARGININE ? 'C6 H15 N4 O2 1'   175.209 
ASN   'L-peptide linking'          y ASPARAGINE ? 'C4 H8 N2 O3'      132.118 
ASP   'L-peptide linking'          y 'ASPARTIC ACID' ? 'C4 H7 N O4'       133.103 
CYS   'L-peptide linking'          y CYSTEINE ? 'C3 H7 N O2 S'     121.158 
GLN   'L-peptide linking'          y GLUTAMINE ? 'C5 H10 N2 O3'     146.144 
GLU   'L-peptide linking'          y 'GLUTAMIC ACID' ? 'C5 H9 N O4'       147.129 
GLY   'peptide linking'            y GLYCINE ? 'C2 H5 N O2'       75.067  
HIS   'L-peptide linking'          y HISTIDINE ? 'C6 H10 N3 O2 1'   156.162 
HOH   non-polymer                  . WATER ? 'H2 O'             18.015  
ILE   'L-peptide linking'          y ISOLEUCINE ? 'C6 H13 N O2'      131.173 
LEU   'L-peptide linking'          y LEUCINE ? 'C6 H13 N O2'      131.173 
LYS   'L-peptide linking'          y LYSINE ? 'C6 H15 N2 O2 1'   147.195 
MET   'L-peptide linking'          y METHIONINE ? 'C5 H11 N O2 S'    149.211 
NAG   'D-saccharide, beta linking' . 2-acetamido-2-deoxy-beta-D-glucopyranose 
;N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE
;
'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 
ZN    non-polymer                  . 'ZINC ION' ? 'Zn 2'             65.409  
# 
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 
NAG 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DGlcpNAcb                      
NAG 'COMMON NAME'                         GMML     1.0 N-acetyl-b-D-glucopyranosamine 
NAG 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 b-D-GlcpNAc                    
NAG 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 GlcNAc                         
# 
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   ILE 1   16  16  ILE ILE AAA . n 
A 1 2   ILE 2   17  17  ILE ILE AAA . n 
A 1 3   GLY 3   18  18  GLY GLY AAA . n 
A 1 4   GLY 4   19  19  GLY GLY AAA . n 
A 1 5   THR 5   20  20  THR THR AAA . n 
A 1 6   GLU 6   21  21  GLU GLU AAA . n 
A 1 7   CYS 7   22  22  CYS CYS AAA . n 
A 1 8   LYS 8   23  23  LYS LYS AAA . n 
A 1 9   PRO 9   24  24  PRO PRO AAA . n 
A 1 10  HIS 10  25  25  HIS HIS AAA . n 
A 1 11  SER 11  26  26  SER SER AAA . n 
A 1 12  ARG 12  27  27  ARG ARG AAA . n 
A 1 13  PRO 13  28  28  PRO PRO AAA . n 
A 1 14  TYR 14  29  29  TYR TYR AAA . n 
A 1 15  MET 15  30  30  MET MET AAA . n 
A 1 16  ALA 16  31  31  ALA ALA AAA . n 
A 1 17  TYR 17  32  32  TYR TYR AAA . n 
A 1 18  LEU 18  33  33  LEU LEU AAA . n 
A 1 19  GLU 19  34  34  GLU GLU AAA . n 
A 1 20  ILE 20  35  35  ILE ILE AAA . n 
A 1 21  VAL 21  36  36  VAL VAL AAA . n 
A 1 22  THR 22  36  36  THR THR AAA A n 
A 1 23  SER 23  36  36  SER SER AAA B n 
A 1 24  ASN 24  36  36  ASN ASN AAA C n 
A 1 25  GLY 25  37  37  GLY GLY AAA . n 
A 1 26  PRO 26  38  38  PRO PRO AAA . n 
A 1 27  SER 27  39  39  SER SER AAA . n 
A 1 28  LYS 28  40  40  LYS LYS AAA . n 
A 1 29  PHE 29  41  41  PHE PHE AAA . n 
A 1 30  CYS 30  42  42  CYS CYS AAA . n 
A 1 31  GLY 31  43  43  GLY GLY AAA . n 
A 1 32  GLY 32  44  44  GLY GLY AAA . n 
A 1 33  PHE 33  45  45  PHE PHE AAA . n 
A 1 34  LEU 34  46  46  LEU LEU AAA . n 
A 1 35  ILE 35  47  47  ILE ILE AAA . n 
A 1 36  ARG 36  48  48  ARG ARG AAA . n 
A 1 37  ARG 37  49  49  ARG ARG AAA . n 
A 1 38  ASN 38  50  50  ASN ASN AAA . n 
A 1 39  PHE 39  51  51  PHE PHE AAA . n 
A 1 40  VAL 40  52  52  VAL VAL AAA . n 
A 1 41  LEU 41  53  53  LEU LEU AAA . n 
A 1 42  THR 42  54  54  THR THR AAA . n 
A 1 43  ALA 43  55  55  ALA ALA AAA . n 
A 1 44  ALA 44  56  56  ALA ALA AAA . n 
A 1 45  HIS 45  57  57  HIS HIS AAA . n 
A 1 46  CYS 46  58  58  CYS CYS AAA . n 
A 1 47  ALA 47  59  59  ALA ALA AAA . n 
A 1 48  GLY 48  60  60  GLY GLY AAA . n 
A 1 49  ARG 49  61  61  ARG ARG AAA . n 
A 1 50  SER 50  63  63  SER SER AAA . n 
A 1 51  ILE 51  64  64  ILE ILE AAA . n 
A 1 52  THR 52  65  65  THR THR AAA . n 
A 1 53  VAL 53  66  66  VAL VAL AAA . n 
A 1 54  THR 54  67  67  THR THR AAA . n 
A 1 55  LEU 55  68  68  LEU LEU AAA . n 
A 1 56  GLY 56  69  69  GLY GLY AAA . n 
A 1 57  ALA 57  70  70  ALA ALA AAA . n 
A 1 58  HIS 58  71  71  HIS HIS AAA . n 
A 1 59  ASN 59  72  72  ASN ASN AAA . n 
A 1 60  ILE 60  73  73  ILE ILE AAA . n 
A 1 61  THR 61  74  74  THR THR AAA . n 
A 1 62  GLU 62  75  75  GLU GLU AAA . n 
A 1 63  GLU 63  77  77  GLU GLU AAA . n 
A 1 64  GLU 64  78  78  GLU GLU AAA . n 
A 1 65  ASP 65  79  79  ASP ASP AAA . n 
A 1 66  THR 66  79  79  THR THR AAA A n 
A 1 67  TRP 67  80  80  TRP TRP AAA . n 
A 1 68  GLN 68  81  81  GLN GLN AAA . n 
A 1 69  LYS 69  82  82  LYS LYS AAA . n 
A 1 70  LEU 70  83  83  LEU LEU AAA . n 
A 1 71  GLU 71  84  84  GLU GLU AAA . n 
A 1 72  VAL 72  85  85  VAL VAL AAA . n 
A 1 73  ILE 73  86  86  ILE ILE AAA . n 
A 1 74  LYS 74  87  87  LYS LYS AAA . n 
A 1 75  GLN 75  88  88  GLN GLN AAA . n 
A 1 76  PHE 76  89  89  PHE PHE AAA . n 
A 1 77  ARG 77  90  90  ARG ARG AAA . n 
A 1 78  HIS 78  91  91  HIS HIS AAA . n 
A 1 79  PRO 79  92  92  PRO PRO AAA . n 
A 1 80  LYS 80  93  93  LYS LYS AAA . n 
A 1 81  TYR 81  94  94  TYR TYR AAA . n 
A 1 82  ASN 82  95  95  ASN ASN AAA . n 
A 1 83  THR 83  96  96  THR THR AAA . n 
A 1 84  SER 84  97  97  SER SER AAA . n 
A 1 85  THR 85  98  98  THR THR AAA . n 
A 1 86  LEU 86  99  99  LEU LEU AAA . n 
A 1 87  HIS 87  100 100 HIS HIS AAA . n 
A 1 88  HIS 88  101 101 HIS HIS AAA . n 
A 1 89  ASP 89  102 102 ASP ASP AAA . n 
A 1 90  ILE 90  103 103 ILE ILE AAA . n 
A 1 91  MET 91  104 104 MET MET AAA . n 
A 1 92  LEU 92  105 105 LEU LEU AAA . n 
A 1 93  LEU 93  106 106 LEU LEU AAA . n 
A 1 94  LYS 94  107 107 LYS LYS AAA . n 
A 1 95  LEU 95  108 108 LEU LEU AAA . n 
A 1 96  LYS 96  109 109 LYS LYS AAA . n 
A 1 97  GLU 97  110 110 GLU GLU AAA . n 
A 1 98  LYS 98  111 111 LYS LYS AAA . n 
A 1 99  ALA 99  112 112 ALA ALA AAA . n 
A 1 100 SER 100 113 113 SER SER AAA . n 
A 1 101 LEU 101 114 114 LEU LEU AAA . n 
A 1 102 THR 102 115 115 THR THR AAA . n 
A 1 103 LEU 103 116 116 LEU LEU AAA . n 
A 1 104 ALA 104 117 117 ALA ALA AAA . n 
A 1 105 VAL 105 118 118 VAL VAL AAA . n 
A 1 106 GLY 106 119 119 GLY GLY AAA . n 
A 1 107 THR 107 120 120 THR THR AAA . n 
A 1 108 LEU 108 121 121 LEU LEU AAA . n 
A 1 109 PRO 109 122 ?   ?   ?   AAA . n 
A 1 110 PHE 110 123 ?   ?   ?   AAA . n 
A 1 111 PRO 111 124 ?   ?   ?   AAA . n 
A 1 112 SER 112 125 ?   ?   ?   AAA . n 
A 1 113 GLN 113 126 ?   ?   ?   AAA . n 
A 1 114 ARG 114 127 ?   ?   ?   AAA . n 
A 1 115 ASN 115 128 ?   ?   ?   AAA . n 
A 1 116 PHE 116 129 ?   ?   ?   AAA . n 
A 1 117 VAL 117 130 ?   ?   ?   AAA . n 
A 1 118 PRO 118 131 ?   ?   ?   AAA . n 
A 1 119 PRO 119 132 ?   ?   ?   AAA . n 
A 1 120 GLY 120 133 133 GLY GLY AAA . n 
A 1 121 ARG 121 134 134 ARG ARG AAA . n 
A 1 122 MET 122 135 135 MET MET AAA . n 
A 1 123 CYS 123 136 136 CYS CYS AAA . n 
A 1 124 ARG 124 137 137 ARG ARG AAA . n 
A 1 125 VAL 125 138 138 VAL VAL AAA . n 
A 1 126 ALA 126 139 139 ALA ALA AAA . n 
A 1 127 GLY 127 140 140 GLY GLY AAA . n 
A 1 128 TRP 128 141 141 TRP TRP AAA . n 
A 1 129 GLY 129 142 142 GLY GLY AAA . n 
A 1 130 ARG 130 143 143 ARG ARG AAA . n 
A 1 131 THR 131 144 144 THR THR AAA . n 
A 1 132 GLY 132 145 145 GLY GLY AAA . n 
A 1 133 VAL 133 146 146 VAL VAL AAA . n 
A 1 134 LEU 134 147 147 LEU LEU AAA . n 
A 1 135 LYS 135 148 148 LYS LYS AAA . n 
A 1 136 PRO 136 150 150 PRO PRO AAA . n 
A 1 137 GLY 137 151 151 GLY GLY AAA . n 
A 1 138 SER 138 152 152 SER SER AAA . n 
A 1 139 ASP 139 153 153 ASP ASP AAA . n 
A 1 140 THR 140 154 154 THR THR AAA . n 
A 1 141 LEU 141 155 155 LEU LEU AAA . n 
A 1 142 GLN 142 156 156 GLN GLN AAA . n 
A 1 143 GLU 143 157 157 GLU GLU AAA . n 
A 1 144 VAL 144 158 158 VAL VAL AAA . n 
A 1 145 LYS 145 159 159 LYS LYS AAA . n 
A 1 146 LEU 146 160 160 LEU LEU AAA . n 
A 1 147 ARG 147 161 161 ARG ARG AAA . n 
A 1 148 LEU 148 162 162 LEU LEU AAA . n 
A 1 149 MET 149 163 163 MET MET AAA . n 
A 1 150 ASP 150 164 164 ASP ASP AAA . n 
A 1 151 PRO 151 165 165 PRO PRO AAA . n 
A 1 152 GLN 152 166 166 GLN GLN AAA . n 
A 1 153 ALA 153 167 167 ALA ALA AAA . n 
A 1 154 CYS 154 168 168 CYS CYS AAA . n 
A 1 155 SER 155 169 169 SER SER AAA . n 
A 1 156 HIS 156 172 172 HIS HIS AAA . n 
A 1 157 PHE 157 173 173 PHE PHE AAA . n 
A 1 158 ARG 158 174 174 ARG ARG AAA . n 
A 1 159 ASP 159 175 175 ASP ASP AAA . n 
A 1 160 PHE 160 176 176 PHE PHE AAA . n 
A 1 161 ASP 161 177 177 ASP ASP AAA . n 
A 1 162 HIS 162 177 177 HIS HIS AAA A n 
A 1 163 ASN 163 178 178 ASN ASN AAA . n 
A 1 164 LEU 164 179 179 LEU LEU AAA . n 
A 1 165 GLN 165 180 180 GLN GLN AAA . n 
A 1 166 LEU 166 181 181 LEU LEU AAA . n 
A 1 167 CYS 167 182 182 CYS CYS AAA . n 
A 1 168 VAL 168 183 183 VAL VAL AAA . n 
A 1 169 GLY 169 184 184 GLY GLY AAA . n 
A 1 170 ASN 170 185 185 ASN ASN AAA . n 
A 1 171 PRO 171 185 185 PRO PRO AAA A n 
A 1 172 ARG 172 185 185 ARG ARG AAA B n 
A 1 173 LYS 173 186 186 LYS LYS AAA . n 
A 1 174 THR 174 187 187 THR THR AAA . n 
A 1 175 LYS 175 188 188 LYS LYS AAA . n 
A 1 176 SER 176 189 189 SER SER AAA . n 
A 1 177 ALA 177 190 190 ALA ALA AAA . n 
A 1 178 PHE 178 191 191 PHE PHE AAA . n 
A 1 179 LYS 179 192 192 LYS LYS AAA . n 
A 1 180 GLY 180 193 193 GLY GLY AAA . n 
A 1 181 ASP 181 194 194 ASP ASP AAA . n 
A 1 182 SER 182 195 195 SER SER AAA . n 
A 1 183 GLY 183 196 196 GLY GLY AAA . n 
A 1 184 GLY 184 197 197 GLY GLY AAA . n 
A 1 185 PRO 185 198 198 PRO PRO AAA . n 
A 1 186 LEU 186 199 199 LEU LEU AAA . n 
A 1 187 LEU 187 200 200 LEU LEU AAA . n 
A 1 188 CYS 188 201 201 CYS CYS AAA . n 
A 1 189 ALA 189 202 202 ALA ALA AAA . n 
A 1 190 GLY 190 207 207 GLY GLY AAA . n 
A 1 191 ALA 191 208 208 ALA ALA AAA . n 
A 1 192 ALA 192 209 209 ALA ALA AAA . n 
A 1 193 GLN 193 210 210 GLN GLN AAA . n 
A 1 194 GLY 194 211 211 GLY GLY AAA . n 
A 1 195 ILE 195 212 212 ILE ILE AAA . n 
A 1 196 VAL 196 213 213 VAL VAL AAA . n 
A 1 197 SER 197 214 214 SER SER AAA . n 
A 1 198 TYR 198 215 215 TYR TYR AAA . n 
A 1 199 GLY 199 216 216 GLY GLY AAA . n 
A 1 200 ARG 200 217 217 ARG ARG AAA . n 
A 1 201 SER 201 218 218 SER SER AAA . n 
A 1 202 ASP 202 219 219 ASP ASP AAA . n 
A 1 203 ALA 203 220 220 ALA ALA AAA . n 
A 1 204 LYS 204 221 221 LYS LYS AAA . n 
A 1 205 PRO 205 224 224 PRO PRO AAA . n 
A 1 206 PRO 206 225 225 PRO PRO AAA . n 
A 1 207 ALA 207 226 226 ALA ALA AAA . n 
A 1 208 VAL 208 227 227 VAL VAL AAA . n 
A 1 209 PHE 209 228 228 PHE PHE AAA . n 
A 1 210 THR 210 229 229 THR THR AAA . n 
A 1 211 ARG 211 230 230 ARG ARG AAA . n 
A 1 212 ILE 212 231 231 ILE ILE AAA . n 
A 1 213 SER 213 232 232 SER SER AAA . n 
A 1 214 HIS 214 233 233 HIS HIS AAA . n 
A 1 215 TYR 215 234 234 TYR TYR AAA . n 
A 1 216 GLN 216 235 235 GLN GLN AAA . n 
A 1 217 PRO 217 236 236 PRO PRO AAA . n 
A 1 218 TRP 218 237 237 TRP TRP AAA . n 
A 1 219 ILE 219 238 238 ILE ILE AAA . n 
A 1 220 ASN 220 239 239 ASN ASN AAA . n 
A 1 221 GLN 221 240 240 GLN GLN AAA . n 
A 1 222 ILE 222 241 241 ILE ILE AAA . n 
A 1 223 LEU 223 242 242 LEU LEU AAA . n 
A 1 224 GLN 224 243 243 GLN GLN AAA . n 
A 1 225 ALA 225 244 244 ALA ALA AAA . n 
A 1 226 ASN 226 245 245 ASN ASN AAA . n 
# 
loop_
_pdbx_branch_scheme.asym_id 
_pdbx_branch_scheme.entity_id 
_pdbx_branch_scheme.mon_id 
_pdbx_branch_scheme.num 
_pdbx_branch_scheme.pdb_asym_id 
_pdbx_branch_scheme.pdb_mon_id 
_pdbx_branch_scheme.pdb_seq_num 
_pdbx_branch_scheme.auth_asym_id 
_pdbx_branch_scheme.auth_mon_id 
_pdbx_branch_scheme.auth_seq_num 
_pdbx_branch_scheme.hetero 
B 2 NAG 1 AbA NAG 1 AbA NAG 301 n 
B 2 NAG 2 AbA NAG 2 AcA NAG 303 n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IJ3 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IJ3 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 3 NAG   1   301 302 NAG   NAG AAA . 
D 4 A1IJ3 1   302 304 A1IJ3 LIG AAA . 
E 5 ZN    1   303 1   ZN    ZN  AAA . 
F 6 HOH   1   401 181 HOH   HOH AAA . 
F 6 HOH   2   402 150 HOH   HOH AAA . 
F 6 HOH   3   403 136 HOH   HOH AAA . 
F 6 HOH   4   404 114 HOH   HOH AAA . 
F 6 HOH   5   405 56  HOH   HOH AAA . 
F 6 HOH   6   406 142 HOH   HOH AAA . 
F 6 HOH   7   407 38  HOH   HOH AAA . 
F 6 HOH   8   408 32  HOH   HOH AAA . 
F 6 HOH   9   409 170 HOH   HOH AAA . 
F 6 HOH   10  410 18  HOH   HOH AAA . 
F 6 HOH   11  411 29  HOH   HOH AAA . 
F 6 HOH   12  412 10  HOH   HOH AAA . 
F 6 HOH   13  413 79  HOH   HOH AAA . 
F 6 HOH   14  414 84  HOH   HOH AAA . 
F 6 HOH   15  415 27  HOH   HOH AAA . 
F 6 HOH   16  416 196 HOH   HOH AAA . 
F 6 HOH   17  417 126 HOH   HOH AAA . 
F 6 HOH   18  418 57  HOH   HOH AAA . 
F 6 HOH   19  419 49  HOH   HOH AAA . 
F 6 HOH   20  420 14  HOH   HOH AAA . 
F 6 HOH   21  421 137 HOH   HOH AAA . 
F 6 HOH   22  422 3   HOH   HOH AAA . 
F 6 HOH   23  423 134 HOH   HOH AAA . 
F 6 HOH   24  424 39  HOH   HOH AAA . 
F 6 HOH   25  425 207 HOH   HOH AAA . 
F 6 HOH   26  426 11  HOH   HOH AAA . 
F 6 HOH   27  427 64  HOH   HOH AAA . 
F 6 HOH   28  428 2   HOH   HOH AAA . 
F 6 HOH   29  429 28  HOH   HOH AAA . 
F 6 HOH   30  430 33  HOH   HOH AAA . 
F 6 HOH   31  431 111 HOH   HOH AAA . 
F 6 HOH   32  432 4   HOH   HOH AAA . 
F 6 HOH   33  433 88  HOH   HOH AAA . 
F 6 HOH   34  434 19  HOH   HOH AAA . 
F 6 HOH   35  435 26  HOH   HOH AAA . 
F 6 HOH   36  436 195 HOH   HOH AAA . 
F 6 HOH   37  437 45  HOH   HOH AAA . 
F 6 HOH   38  438 175 HOH   HOH AAA . 
F 6 HOH   39  439 22  HOH   HOH AAA . 
F 6 HOH   40  440 36  HOH   HOH AAA . 
F 6 HOH   41  441 188 HOH   HOH AAA . 
F 6 HOH   42  442 62  HOH   HOH AAA . 
F 6 HOH   43  443 102 HOH   HOH AAA . 
F 6 HOH   44  444 21  HOH   HOH AAA . 
F 6 HOH   45  445 9   HOH   HOH AAA . 
F 6 HOH   46  446 17  HOH   HOH AAA . 
F 6 HOH   47  447 15  HOH   HOH AAA . 
F 6 HOH   48  448 166 HOH   HOH AAA . 
F 6 HOH   49  449 129 HOH   HOH AAA . 
F 6 HOH   50  450 194 HOH   HOH AAA . 
F 6 HOH   51  451 97  HOH   HOH AAA . 
F 6 HOH   52  452 184 HOH   HOH AAA . 
F 6 HOH   53  453 186 HOH   HOH AAA . 
F 6 HOH   54  454 54  HOH   HOH AAA . 
F 6 HOH   55  455 133 HOH   HOH AAA . 
F 6 HOH   56  456 159 HOH   HOH AAA . 
F 6 HOH   57  457 63  HOH   HOH AAA . 
F 6 HOH   58  458 161 HOH   HOH AAA . 
F 6 HOH   59  459 43  HOH   HOH AAA . 
F 6 HOH   60  460 6   HOH   HOH AAA . 
F 6 HOH   61  461 183 HOH   HOH AAA . 
F 6 HOH   62  462 86  HOH   HOH AAA . 
F 6 HOH   63  463 185 HOH   HOH AAA . 
F 6 HOH   64  464 117 HOH   HOH AAA . 
F 6 HOH   65  465 52  HOH   HOH AAA . 
F 6 HOH   66  466 44  HOH   HOH AAA . 
F 6 HOH   67  467 116 HOH   HOH AAA . 
F 6 HOH   68  468 201 HOH   HOH AAA . 
F 6 HOH   69  469 101 HOH   HOH AAA . 
F 6 HOH   70  470 128 HOH   HOH AAA . 
F 6 HOH   71  471 203 HOH   HOH AAA . 
F 6 HOH   72  472 131 HOH   HOH AAA . 
F 6 HOH   73  473 51  HOH   HOH AAA . 
F 6 HOH   74  474 67  HOH   HOH AAA . 
F 6 HOH   75  475 16  HOH   HOH AAA . 
F 6 HOH   76  476 82  HOH   HOH AAA . 
F 6 HOH   77  477 124 HOH   HOH AAA . 
F 6 HOH   78  478 58  HOH   HOH AAA . 
F 6 HOH   79  479 65  HOH   HOH AAA . 
F 6 HOH   80  480 158 HOH   HOH AAA . 
F 6 HOH   81  481 1   HOH   HOH AAA . 
F 6 HOH   82  482 41  HOH   HOH AAA . 
F 6 HOH   83  483 125 HOH   HOH AAA . 
F 6 HOH   84  484 72  HOH   HOH AAA . 
F 6 HOH   85  485 164 HOH   HOH AAA . 
F 6 HOH   86  486 168 HOH   HOH AAA . 
F 6 HOH   87  487 162 HOH   HOH AAA . 
F 6 HOH   88  488 208 HOH   HOH AAA . 
F 6 HOH   89  489 40  HOH   HOH AAA . 
F 6 HOH   90  490 104 HOH   HOH AAA . 
F 6 HOH   91  491 187 HOH   HOH AAA . 
F 6 HOH   92  492 34  HOH   HOH AAA . 
F 6 HOH   93  493 71  HOH   HOH AAA . 
F 6 HOH   94  494 204 HOH   HOH AAA . 
F 6 HOH   95  495 123 HOH   HOH AAA . 
F 6 HOH   96  496 109 HOH   HOH AAA . 
F 6 HOH   97  497 74  HOH   HOH AAA . 
F 6 HOH   98  498 23  HOH   HOH AAA . 
F 6 HOH   99  499 25  HOH   HOH AAA . 
F 6 HOH   100 500 13  HOH   HOH AAA . 
F 6 HOH   101 501 48  HOH   HOH AAA . 
F 6 HOH   102 502 213 HOH   HOH AAA . 
F 6 HOH   103 503 66  HOH   HOH AAA . 
F 6 HOH   104 504 83  HOH   HOH AAA . 
F 6 HOH   105 505 35  HOH   HOH AAA . 
F 6 HOH   106 506 30  HOH   HOH AAA . 
F 6 HOH   107 507 138 HOH   HOH AAA . 
F 6 HOH   108 508 146 HOH   HOH AAA . 
F 6 HOH   109 509 202 HOH   HOH AAA . 
F 6 HOH   110 510 94  HOH   HOH AAA . 
F 6 HOH   111 511 209 HOH   HOH AAA . 
F 6 HOH   112 512 171 HOH   HOH AAA . 
F 6 HOH   113 513 143 HOH   HOH AAA . 
F 6 HOH   114 514 92  HOH   HOH AAA . 
F 6 HOH   115 515 37  HOH   HOH AAA . 
F 6 HOH   116 516 78  HOH   HOH AAA . 
F 6 HOH   117 517 20  HOH   HOH AAA . 
F 6 HOH   118 518 193 HOH   HOH AAA . 
F 6 HOH   119 519 53  HOH   HOH AAA . 
F 6 HOH   120 520 189 HOH   HOH AAA . 
F 6 HOH   121 521 77  HOH   HOH AAA . 
F 6 HOH   122 522 182 HOH   HOH AAA . 
F 6 HOH   123 523 81  HOH   HOH AAA . 
F 6 HOH   124 524 55  HOH   HOH AAA . 
F 6 HOH   125 525 12  HOH   HOH AAA . 
F 6 HOH   126 526 180 HOH   HOH AAA . 
F 6 HOH   127 527 60  HOH   HOH AAA . 
F 6 HOH   128 528 47  HOH   HOH AAA . 
F 6 HOH   129 529 69  HOH   HOH AAA . 
F 6 HOH   130 530 50  HOH   HOH AAA . 
F 6 HOH   131 531 157 HOH   HOH AAA . 
F 6 HOH   132 532 132 HOH   HOH AAA . 
F 6 HOH   133 533 100 HOH   HOH AAA . 
F 6 HOH   134 534 24  HOH   HOH AAA . 
F 6 HOH   135 535 135 HOH   HOH AAA . 
F 6 HOH   136 536 7   HOH   HOH AAA . 
F 6 HOH   137 537 156 HOH   HOH AAA . 
F 6 HOH   138 538 120 HOH   HOH AAA . 
F 6 HOH   139 539 93  HOH   HOH AAA . 
F 6 HOH   140 540 127 HOH   HOH AAA . 
F 6 HOH   141 541 85  HOH   HOH AAA . 
F 6 HOH   142 542 205 HOH   HOH AAA . 
F 6 HOH   143 543 118 HOH   HOH AAA . 
F 6 HOH   144 544 141 HOH   HOH AAA . 
F 6 HOH   145 545 99  HOH   HOH AAA . 
F 6 HOH   146 546 172 HOH   HOH AAA . 
F 6 HOH   147 547 178 HOH   HOH AAA . 
F 6 HOH   148 548 91  HOH   HOH AAA . 
F 6 HOH   149 549 76  HOH   HOH AAA . 
F 6 HOH   150 550 160 HOH   HOH AAA . 
F 6 HOH   151 551 90  HOH   HOH AAA . 
F 6 HOH   152 552 75  HOH   HOH AAA . 
F 6 HOH   153 553 73  HOH   HOH AAA . 
F 6 HOH   154 554 163 HOH   HOH AAA . 
F 6 HOH   155 555 5   HOH   HOH AAA . 
F 6 HOH   156 556 105 HOH   HOH AAA . 
F 6 HOH   157 557 130 HOH   HOH AAA . 
F 6 HOH   158 558 149 HOH   HOH AAA . 
F 6 HOH   159 559 174 HOH   HOH AAA . 
F 6 HOH   160 560 112 HOH   HOH AAA . 
F 6 HOH   161 561 214 HOH   HOH AAA . 
F 6 HOH   162 562 8   HOH   HOH AAA . 
F 6 HOH   163 563 190 HOH   HOH AAA . 
F 6 HOH   164 564 31  HOH   HOH AAA . 
F 6 HOH   165 565 153 HOH   HOH AAA . 
F 6 HOH   166 566 115 HOH   HOH AAA . 
F 6 HOH   167 567 96  HOH   HOH AAA . 
F 6 HOH   168 568 122 HOH   HOH AAA . 
F 6 HOH   169 569 206 HOH   HOH AAA . 
F 6 HOH   170 570 110 HOH   HOH AAA . 
F 6 HOH   171 571 80  HOH   HOH AAA . 
F 6 HOH   172 572 165 HOH   HOH AAA . 
F 6 HOH   173 573 177 HOH   HOH AAA . 
F 6 HOH   174 574 42  HOH   HOH AAA . 
F 6 HOH   175 575 113 HOH   HOH AAA . 
F 6 HOH   176 576 119 HOH   HOH AAA . 
F 6 HOH   177 577 70  HOH   HOH AAA . 
F 6 HOH   178 578 108 HOH   HOH AAA . 
F 6 HOH   179 579 192 HOH   HOH AAA . 
F 6 HOH   180 580 139 HOH   HOH AAA . 
F 6 HOH   181 581 144 HOH   HOH AAA . 
F 6 HOH   182 582 107 HOH   HOH AAA . 
F 6 HOH   183 583 121 HOH   HOH AAA . 
F 6 HOH   184 584 191 HOH   HOH AAA . 
F 6 HOH   185 585 145 HOH   HOH AAA . 
F 6 HOH   186 586 176 HOH   HOH AAA . 
F 6 HOH   187 587 59  HOH   HOH AAA . 
F 6 HOH   188 588 197 HOH   HOH AAA . 
F 6 HOH   189 589 103 HOH   HOH AAA . 
F 6 HOH   190 590 98  HOH   HOH AAA . 
F 6 HOH   191 591 87  HOH   HOH AAA . 
F 6 HOH   192 592 155 HOH   HOH AAA . 
F 6 HOH   193 593 179 HOH   HOH AAA . 
F 6 HOH   194 594 140 HOH   HOH AAA . 
F 6 HOH   195 595 210 HOH   HOH AAA . 
F 6 HOH   196 596 68  HOH   HOH AAA . 
F 6 HOH   197 597 148 HOH   HOH AAA . 
F 6 HOH   198 598 167 HOH   HOH AAA . 
F 6 HOH   199 599 89  HOH   HOH AAA . 
F 6 HOH   200 600 151 HOH   HOH AAA . 
F 6 HOH   201 601 211 HOH   HOH AAA . 
F 6 HOH   202 602 200 HOH   HOH AAA . 
F 6 HOH   203 603 95  HOH   HOH AAA . 
F 6 HOH   204 604 147 HOH   HOH AAA . 
F 6 HOH   205 605 173 HOH   HOH AAA . 
F 6 HOH   206 606 212 HOH   HOH AAA . 
F 6 HOH   207 607 152 HOH   HOH AAA . 
F 6 HOH   208 608 198 HOH   HOH AAA . 
F 6 HOH   209 609 106 HOH   HOH AAA . 
F 6 HOH   210 610 169 HOH   HOH AAA . 
F 6 HOH   211 611 46  HOH   HOH AAA . 
F 6 HOH   212 612 154 HOH   HOH AAA . 
F 6 HOH   213 613 199 HOH   HOH AAA . 
F 6 HOH   214 614 61  HOH   HOH AAA . 
# 
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       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? iMOSFLM ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? SCALA   ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GC9 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     73.935 
_cell.length_a_esd                 ? 
_cell.length_b                     73.935 
_cell.length_b_esd                 ? 
_cell.length_c                     48.909 
_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                         9GC9 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                78 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 43' 
_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                   9GC9 
_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             2.67 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          53.96 
_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              ? 
_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    '0.01M ZnCl2, 0.1M TRIS at pH 8 and 20% PEG 6000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_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                     'IMAGE PLATE' 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'MAR scanner 345 mm plate' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2009-05-13 
_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   1.541870 
_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                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU MICROMAX-007 HF' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.541870 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9GC9 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.18 
_reflns.d_resolution_low                               35.72 
_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                                     50369 
_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                           95.6 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.3 
_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                              0.107 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.18 
_reflns_shell.d_res_low                                     2.3 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1407 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          70.1 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.455 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -0.453 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.453 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.905 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               49.296 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.948 
_refine.correlation_coeff_Fo_to_Fc_free          0.912 
_refine.details                                  'Hydrogens have been used if present in the input file' 
_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                                 9GC9 
_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                            2.203 
_refine.ls_d_res_low                             35.716 
_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                     13292 
_refine.ls_number_reflns_R_free                  658 
_refine.ls_number_reflns_R_work                  12634 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.139 
_refine.ls_percent_reflns_R_free                 4.950 
_refine.ls_R_factor_all                          0.180 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2377 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1775 
_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                    'MASK BULK SOLVENT' 
_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                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.256 
_refine.pdbx_overall_ESU_R_Free                  0.211 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1666 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         78 
_refine_hist.number_atoms_solvent             214 
_refine_hist.number_atoms_total               1958 
_refine_hist.d_res_high                       2.203 
_refine_hist.d_res_low                        35.716 
# 
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' ? 0.012  0.012  1788 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 1.457  1.707  2419 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 6.855  5.000  212  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 32.974 20.833 84   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.451 15.000 294  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 22.067 15.000 13   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.066  0.200  236  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.021  0.020  1320 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.232  0.200  832  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.311  0.200  1194 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.172  0.200  157  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.166  0.200  1    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.235  0.200  29   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.247  0.200  11   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.200  2    ? r_symmetry_metal_ion_refined   ? ? 
'X-RAY DIFFRACTION' ? 2.493  4.500  857  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.567  6.747  1066 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.875  5.144  931  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.115  7.502  1353 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 8.115  64.220 2754 ? r_lrange_it                    ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.203 2.260  987 . 33 715 75.7852  . 0.288 . . 0.287 . . . . . 0.279 . 20 . 0.804 0.773 0.299 
'X-RAY DIFFRACTION' 2.260 2.322  979 . 56 923 100.0000 . 0.259 . . 0.257 . . . . . 0.244 . 20 . 0.840 0.834 0.303 
'X-RAY DIFFRACTION' 2.322 2.389  930 . 51 879 100.0000 . 0.235 . . 0.231 . . . . . 0.212 . 20 . 0.875 0.826 0.304 
'X-RAY DIFFRACTION' 2.389 2.462  931 . 53 878 100.0000 . 0.229 . . 0.228 . . . . . 0.210 . 20 . 0.883 0.890 0.233 
'X-RAY DIFFRACTION' 2.462 2.542  853 . 42 811 100.0000 . 0.223 . . 0.218 . . . . . 0.199 . 20 . 0.894 0.850 0.311 
'X-RAY DIFFRACTION' 2.542 2.631  862 . 34 828 100.0000 . 0.205 . . 0.202 . . . . . 0.180 . 20 . 0.909 0.850 0.292 
'X-RAY DIFFRACTION' 2.631 2.730  826 . 43 783 100.0000 . 0.179 . . 0.175 . . . . . 0.159 . 20 . 0.921 0.907 0.266 
'X-RAY DIFFRACTION' 2.730 2.841  798 . 44 754 100.0000 . 0.184 . . 0.182 . . . . . 0.165 . 20 . 0.924 0.931 0.210 
'X-RAY DIFFRACTION' 2.841 2.966  761 . 32 729 100.0000 . 0.175 . . 0.170 . . . . . 0.153 . 20 . 0.936 0.897 0.292 
'X-RAY DIFFRACTION' 2.966 3.110  737 . 32 705 100.0000 . 0.162 . . 0.159 . . . . . 0.144 . 20 . 0.941 0.905 0.238 
'X-RAY DIFFRACTION' 3.110 3.277  692 . 32 660 100.0000 . 0.160 . . 0.156 . . . . . 0.142 . 20 . 0.950 0.936 0.232 
'X-RAY DIFFRACTION' 3.277 3.474  656 . 29 627 100.0000 . 0.158 . . 0.156 . . . . . 0.145 . 20 . 0.956 0.955 0.186 
'X-RAY DIFFRACTION' 3.474 3.711  641 . 33 608 100.0000 . 0.148 . . 0.146 . . . . . 0.140 . 20 . 0.963 0.942 0.193 
'X-RAY DIFFRACTION' 3.711 4.005  574 . 40 534 100.0000 . 0.151 . . 0.149 . . . . . 0.142 . 20 . 0.964 0.963 0.173 
'X-RAY DIFFRACTION' 4.005 4.381  537 . 21 516 100.0000 . 0.147 . . 0.144 . . . . . 0.140 . 20 . 0.965 0.917 0.264 
'X-RAY DIFFRACTION' 4.381 4.889  486 . 20 466 100.0000 . 0.146 . . 0.143 . . . . . 0.141 . 20 . 0.962 0.938 0.243 
'X-RAY DIFFRACTION' 4.889 5.628  428 . 19 409 100.0000 . 0.155 . . 0.155 . . . . . 0.150 . 20 . 0.960 0.959 0.165 
'X-RAY DIFFRACTION' 5.628 6.851  383 . 23 360 100.0000 . 0.182 . . 0.179 . . . . . 0.175 . 20 . 0.961 0.946 0.235 
'X-RAY DIFFRACTION' 6.851 9.515  293 . 19 274 100.0000 . 0.187 . . 0.180 . . . . . 0.175 . 20 . 0.964 0.934 0.293 
'X-RAY DIFFRACTION' 9.515 35.716 178 . 2  175 99.4382  . 0.256 . . 0.256 . . . . . 0.270 . 20 . 0.950 0.919 0.279 
# 
_struct.entry_id                     9GC9 
_struct.title                        'CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH COMPOUND27' 
_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        9GC9 
_struct_keywords.text            'SERINE PROTEASE, GLYCOSYLATED, MAST CELLS, SECRETED, HYDROLASE, HYDROLASE INHIBITOR COMPLEX' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
F N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    CMA1_HUMAN 
_struct_ref.pdbx_db_accession          P23946 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPK
YNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQFNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDF
DHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
;
_struct_ref.pdbx_align_begin           22 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9GC9 
_struct_ref_seq.pdbx_strand_id                AAA 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 226 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P23946 
_struct_ref_seq.db_align_beg                  22 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  247 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       16 
_struct_ref_seq.pdbx_auth_seq_align_end       245 
# 
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 9GC9 ARG AAA 114 ? UNP P23946 PHE 135 'engineered mutation' 127 1 
1 9GC9 ALA AAA 191 ? UNP P23946 VAL 212 'engineered mutation' 208 2 
1 9GC9 GLN AAA 216 ? UNP P23946 ARG 237 'engineered mutation' 235 3 
# 
_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 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 690   ? 
1 MORE         -13   ? 
1 'SSA (A^2)'  10760 ? 
# 
_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 
# 
_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                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ALA A 43  ? ALA A 47  ? ALA AAA 55  ALA AAA 59  5 ? 5  
HELX_P HELX_P2 AA2 ASP A 150 ? SER A 155 ? ASP AAA 164 SER AAA 169 5 ? 6  
HELX_P HELX_P3 AA3 ILE A 212 ? ASN A 226 ? ILE AAA 231 ASN AAA 245 1 ? 15 
# 
_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 30  SG  ? ? ? 1_555 A CYS 46  SG ? ? AAA CYS 42  AAA CYS 58  1_555 ? ? ? ? ? ? ? 2.021 ? ? 
disulf2 disulf ?    ? A CYS 123 SG  ? ? ? 1_555 A CYS 188 SG ? ? AAA CYS 136 AAA CYS 201 1_555 ? ? ? ? ? ? ? 2.032 ? ? 
disulf3 disulf ?    ? A CYS 154 SG  ? ? ? 1_555 A CYS 167 SG ? ? AAA CYS 168 AAA CYS 182 1_555 ? ? ? ? ? ? ? 2.030 ? ? 
covale1 covale one  ? A ASN 59  ND2 ? ? ? 1_555 B NAG .   C1 ? ? AAA ASN 72  AbA NAG 1   1_555 ? ? ? ? ? ? ? 1.456 ? 
N-Glycosylation 
covale2 covale one  ? A ASN 82  ND2 ? ? ? 1_555 C NAG .   C1 ? ? AAA ASN 95  AAA NAG 301 1_555 ? ? ? ? ? ? ? 1.456 ? 
N-Glycosylation 
covale3 covale both ? B NAG .   O4  ? ? ? 1_555 B NAG .   C1 ? ? AbA NAG 1   AbA NAG 2   1_555 ? ? ? ? ? ? ? 1.469 ? ? 
metalc1 metalc ?    ? A HIS 10  NE2 ? ? ? 1_555 E ZN  .   ZN ? ? AAA HIS 25  AAA ZN  303 1_555 ? ? ? ? ? ? ? 2.101 ? ? 
metalc2 metalc ?    ? A GLU 64  OE2 ? ? ? 1_555 E ZN  .   ZN ? ? AAA GLU 78  AAA ZN  303 1_555 ? ? ? ? ? ? ? 1.854 ? ? 
metalc3 metalc ?    ? A GLU 71  OE2 ? ? ? 1_555 E ZN  .   ZN ? ? AAA GLU 84  AAA ZN  303 2_545 ? ? ? ? ? ? ? 2.019 ? ? 
metalc4 metalc ?    ? A LYS 96  NZ  ? ? ? 1_555 E ZN  .   ZN ? ? AAA LYS 109 AAA ZN  303 2_545 ? ? ? ? ? ? ? 2.057 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
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 NE2 ? A HIS 10 ? AAA HIS 25 ? 1_555 ZN ? E ZN . ? AAA ZN 303 ? 1_555 OE2 ? A GLU 64 ? AAA GLU 78  ? 1_555 120.7 ? 
2 NE2 ? A HIS 10 ? AAA HIS 25 ? 1_555 ZN ? E ZN . ? AAA ZN 303 ? 1_555 OE2 ? A GLU 71 ? AAA GLU 84  ? 1_555 71.8  ? 
3 OE2 ? A GLU 64 ? AAA GLU 78 ? 1_555 ZN ? E ZN . ? AAA ZN 303 ? 1_555 OE2 ? A GLU 71 ? AAA GLU 84  ? 1_555 50.0  ? 
4 NE2 ? A HIS 10 ? AAA HIS 25 ? 1_555 ZN ? E ZN . ? AAA ZN 303 ? 1_555 NZ  ? A LYS 96 ? AAA LYS 109 ? 1_555 72.2  ? 
5 OE2 ? A GLU 64 ? AAA GLU 78 ? 1_555 ZN ? E ZN . ? AAA ZN 303 ? 1_555 NZ  ? A LYS 96 ? AAA LYS 109 ? 1_555 51.4  ? 
6 OE2 ? A GLU 71 ? AAA GLU 84 ? 1_555 ZN ? E ZN . ? AAA ZN 303 ? 1_555 NZ  ? A LYS 96 ? AAA LYS 109 ? 1_555 6.8   ? 
# 
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 NAG B .   ? ASN A 59  ? NAG AbA 1   ? 1_555 ASN AAA 72  ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate       
2 NAG C .   ? ASN A 82  ? NAG AAA 301 ? 1_555 ASN AAA 95  ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate       
3 CYS A 30  ? CYS A 46  ? CYS AAA 42  ? 1_555 CYS AAA 58  ? 1_555 SG SG  .   . .   None            'Disulfide bridge' 
4 CYS A 123 ? CYS A 188 ? CYS AAA 136 ? 1_555 CYS AAA 201 ? 1_555 SG SG  .   . .   None            'Disulfide bridge' 
5 CYS A 154 ? CYS A 167 ? CYS AAA 168 ? 1_555 CYS AAA 182 ? 1_555 SG SG  .   . .   None            'Disulfide bridge' 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          PRO 
_struct_mon_prot_cis.label_seq_id           205 
_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           PRO 
_struct_mon_prot_cis.auth_seq_id            224 
_struct_mon_prot_cis.auth_asym_id           AAA 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    206 
_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     225 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    AAA 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       12.45 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 8 ? 
AA2 ? 7 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA1 7 8 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? 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 THR A 5   ? GLU A 6   ? THR AAA 20  GLU AAA 21  
AA1 2 GLN A 142 ? MET A 149 ? GLN AAA 156 MET AAA 163 
AA1 3 GLN A 165 ? VAL A 168 ? GLN AAA 180 VAL AAA 183 
AA1 4 ALA A 207 ? ARG A 211 ? ALA AAA 226 ARG AAA 230 
AA1 5 ALA A 191 ? TYR A 198 ? ALA AAA 208 TYR AAA 215 
AA1 6 PRO A 185 ? CYS A 188 ? PRO AAA 198 CYS AAA 201 
AA1 7 MET A 122 ? GLY A 127 ? MET AAA 135 GLY AAA 140 
AA1 8 GLN A 142 ? MET A 149 ? GLN AAA 156 MET AAA 163 
AA2 1 MET A 15  ? VAL A 21  ? MET AAA 30  VAL AAA 36  
AA2 2 LYS A 28  ? ARG A 36  ? LYS AAA 40  ARG AAA 48  
AA2 3 PHE A 39  ? THR A 42  ? PHE AAA 51  THR AAA 54  
AA2 4 MET A 91  ? LEU A 95  ? MET AAA 104 LEU AAA 108 
AA2 5 GLN A 68  ? ARG A 77  ? GLN AAA 81  ARG AAA 90  
AA2 6 SER A 50  ? LEU A 55  ? SER AAA 63  LEU AAA 68  
AA2 7 MET A 15  ? VAL A 21  ? MET AAA 30  VAL AAA 36  
# 
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 THR A 5   ? N THR AAA 20  O GLU A 143 ? O GLU AAA 157 
AA1 2 3 N MET A 149 ? N MET AAA 163 O CYS A 167 ? O CYS AAA 182 
AA1 3 4 N LEU A 166 ? N LEU AAA 181 O PHE A 209 ? O PHE AAA 228 
AA1 4 5 O VAL A 208 ? O VAL AAA 227 N TYR A 198 ? N TYR AAA 215 
AA1 5 6 O GLN A 193 ? O GLN AAA 210 N LEU A 186 ? N LEU AAA 199 
AA1 6 7 O LEU A 187 ? O LEU AAA 200 N ARG A 124 ? N ARG AAA 137 
AA1 7 8 N CYS A 123 ? N CYS AAA 136 O LEU A 146 ? O LEU AAA 160 
AA2 1 2 N ILE A 20  ? N ILE AAA 35  O LYS A 28  ? O LYS AAA 40  
AA2 2 3 N PHE A 33  ? N PHE AAA 45  O LEU A 41  ? O LEU AAA 53  
AA2 3 4 N VAL A 40  ? N VAL AAA 52  O LEU A 93  ? O LEU AAA 106 
AA2 4 5 O LEU A 92  ? O LEU AAA 105 N PHE A 76  ? N PHE AAA 89  
AA2 5 6 O LEU A 70  ? O LEU AAA 83  N VAL A 53  ? N VAL AAA 66  
AA2 6 7 O SER A 50  ? O SER AAA 63  N VAL A 21  ? N VAL AAA 36  
# 
_pdbx_entry_details.entry_id                   9GC9 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
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 HIS AAA 71  ? ? -121.14 -78.21 
2 1 SER AAA 189 ? ? -172.11 146.44 
3 1 SER AAA 195 ? ? -35.69  133.18 
# 
loop_
_pdbx_validate_planes.id 
_pdbx_validate_planes.PDB_model_num 
_pdbx_validate_planes.auth_comp_id 
_pdbx_validate_planes.auth_asym_id 
_pdbx_validate_planes.auth_seq_id 
_pdbx_validate_planes.PDB_ins_code 
_pdbx_validate_planes.label_alt_id 
_pdbx_validate_planes.rmsd 
_pdbx_validate_planes.type 
1 1 ARG AAA 61  ? ? 0.190 'SIDE CHAIN' 
2 1 ARG AAA 143 ? ? 0.110 'SIDE CHAIN' 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      AAA 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       614 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   7.07 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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 AAA PRO 122 ? A PRO 109 
2  1 Y 1 AAA PHE 123 ? A PHE 110 
3  1 Y 1 AAA PRO 124 ? A PRO 111 
4  1 Y 1 AAA SER 125 ? A SER 112 
5  1 Y 1 AAA GLN 126 ? A GLN 113 
6  1 Y 1 AAA ARG 127 ? A ARG 114 
7  1 Y 1 AAA ASN 128 ? A ASN 115 
8  1 Y 1 AAA PHE 129 ? A PHE 116 
9  1 Y 1 AAA VAL 130 ? A VAL 117 
10 1 Y 1 AAA PRO 131 ? A PRO 118 
11 1 Y 1 AAA PRO 132 ? A PRO 119 
# 
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 
A1IJ3 C4   C  Y N 1   
A1IJ3 C5   C  Y N 2   
A1IJ3 C6   C  Y N 3   
A1IJ3 C7   C  N N 4   
A1IJ3 C15  C  N N 5   
A1IJ3 C20  C  Y N 6   
A1IJ3 C21  C  Y N 7   
A1IJ3 C22  C  Y N 8   
A1IJ3 C26  C  N N 9   
A1IJ3 C28  C  N N 10  
A1IJ3 O29  O  N N 11  
A1IJ3 N27  N  N N 12  
A1IJ3 C25  C  N N 13  
A1IJ3 N24  N  N N 14  
A1IJ3 C19  C  Y N 15  
A1IJ3 C23  C  Y N 16  
A1IJ3 C18  C  Y N 17  
A1IJ3 N17  N  N N 18  
A1IJ3 C30  C  N N 19  
A1IJ3 O31  O  N N 20  
A1IJ3 C16  C  N N 21  
A1IJ3 C32  C  N N 22  
A1IJ3 O33  O  N N 23  
A1IJ3 O34  O  N N 24  
A1IJ3 C14  C  N N 25  
A1IJ3 O35  O  N N 26  
A1IJ3 N13  N  N N 27  
A1IJ3 C12  C  N N 28  
A1IJ3 C3   C  Y N 29  
A1IJ3 C2   C  Y N 30  
A1IJ3 C1   C  Y N 31  
A1IJ3 F10  F  N N 32  
A1IJ3 F8   F  N N 33  
A1IJ3 F9   F  N N 34  
A1IJ3 C11  C  N N 35  
A1IJ3 H6   H  N N 36  
A1IJ3 H20  H  N N 37  
A1IJ3 H22  H  N N 38  
A1IJ3 H26  H  N N 39  
A1IJ3 H6O  H  N N 40  
A1IJ3 H27  H  N N 41  
A1IJ3 H25  H  N N 42  
A1IJ3 H6N  H  N N 43  
A1IJ3 H19  H  N N 44  
A1IJ3 H23  H  N N 45  
A1IJ3 H16  H  N N 46  
A1IJ3 H1   H  N N 47  
A1IJ3 H6M  H  N N 48  
A1IJ3 H6L  H  N N 49  
A1IJ3 H2   H  N N 50  
A1IJ3 H14  H  N N 51  
A1IJ3 H11  H  N N 52  
A1IJ3 H12  H  N N 53  
A1IJ3 H13  H  N N 54  
ALA   N    N  N N 55  
ALA   CA   C  N S 56  
ALA   C    C  N N 57  
ALA   O    O  N N 58  
ALA   CB   C  N N 59  
ALA   OXT  O  N N 60  
ALA   H    H  N N 61  
ALA   H2   H  N N 62  
ALA   HA   H  N N 63  
ALA   HB1  H  N N 64  
ALA   HB2  H  N N 65  
ALA   HB3  H  N N 66  
ALA   HXT  H  N N 67  
ARG   N    N  N N 68  
ARG   CA   C  N S 69  
ARG   C    C  N N 70  
ARG   O    O  N N 71  
ARG   CB   C  N N 72  
ARG   CG   C  N N 73  
ARG   CD   C  N N 74  
ARG   NE   N  N N 75  
ARG   CZ   C  N N 76  
ARG   NH1  N  N N 77  
ARG   NH2  N  N N 78  
ARG   OXT  O  N N 79  
ARG   H    H  N N 80  
ARG   H2   H  N N 81  
ARG   HA   H  N N 82  
ARG   HB2  H  N N 83  
ARG   HB3  H  N N 84  
ARG   HG2  H  N N 85  
ARG   HG3  H  N N 86  
ARG   HD2  H  N N 87  
ARG   HD3  H  N N 88  
ARG   HE   H  N N 89  
ARG   HH11 H  N N 90  
ARG   HH12 H  N N 91  
ARG   HH21 H  N N 92  
ARG   HH22 H  N N 93  
ARG   HXT  H  N N 94  
ASN   N    N  N N 95  
ASN   CA   C  N S 96  
ASN   C    C  N N 97  
ASN   O    O  N N 98  
ASN   CB   C  N N 99  
ASN   CG   C  N N 100 
ASN   OD1  O  N N 101 
ASN   ND2  N  N N 102 
ASN   OXT  O  N N 103 
ASN   H    H  N N 104 
ASN   H2   H  N N 105 
ASN   HA   H  N N 106 
ASN   HB2  H  N N 107 
ASN   HB3  H  N N 108 
ASN   HD21 H  N N 109 
ASN   HD22 H  N N 110 
ASN   HXT  H  N N 111 
ASP   N    N  N N 112 
ASP   CA   C  N S 113 
ASP   C    C  N N 114 
ASP   O    O  N N 115 
ASP   CB   C  N N 116 
ASP   CG   C  N N 117 
ASP   OD1  O  N N 118 
ASP   OD2  O  N N 119 
ASP   OXT  O  N N 120 
ASP   H    H  N N 121 
ASP   H2   H  N N 122 
ASP   HA   H  N N 123 
ASP   HB2  H  N N 124 
ASP   HB3  H  N N 125 
ASP   HD2  H  N N 126 
ASP   HXT  H  N N 127 
CYS   N    N  N N 128 
CYS   CA   C  N R 129 
CYS   C    C  N N 130 
CYS   O    O  N N 131 
CYS   CB   C  N N 132 
CYS   SG   S  N N 133 
CYS   OXT  O  N N 134 
CYS   H    H  N N 135 
CYS   H2   H  N N 136 
CYS   HA   H  N N 137 
CYS   HB2  H  N N 138 
CYS   HB3  H  N N 139 
CYS   HG   H  N N 140 
CYS   HXT  H  N N 141 
GLN   N    N  N N 142 
GLN   CA   C  N S 143 
GLN   C    C  N N 144 
GLN   O    O  N N 145 
GLN   CB   C  N N 146 
GLN   CG   C  N N 147 
GLN   CD   C  N N 148 
GLN   OE1  O  N N 149 
GLN   NE2  N  N N 150 
GLN   OXT  O  N N 151 
GLN   H    H  N N 152 
GLN   H2   H  N N 153 
GLN   HA   H  N N 154 
GLN   HB2  H  N N 155 
GLN   HB3  H  N N 156 
GLN   HG2  H  N N 157 
GLN   HG3  H  N N 158 
GLN   HE21 H  N N 159 
GLN   HE22 H  N N 160 
GLN   HXT  H  N N 161 
GLU   N    N  N N 162 
GLU   CA   C  N S 163 
GLU   C    C  N N 164 
GLU   O    O  N N 165 
GLU   CB   C  N N 166 
GLU   CG   C  N N 167 
GLU   CD   C  N N 168 
GLU   OE1  O  N N 169 
GLU   OE2  O  N N 170 
GLU   OXT  O  N N 171 
GLU   H    H  N N 172 
GLU   H2   H  N N 173 
GLU   HA   H  N N 174 
GLU   HB2  H  N N 175 
GLU   HB3  H  N N 176 
GLU   HG2  H  N N 177 
GLU   HG3  H  N N 178 
GLU   HE2  H  N N 179 
GLU   HXT  H  N N 180 
GLY   N    N  N N 181 
GLY   CA   C  N N 182 
GLY   C    C  N N 183 
GLY   O    O  N N 184 
GLY   OXT  O  N N 185 
GLY   H    H  N N 186 
GLY   H2   H  N N 187 
GLY   HA2  H  N N 188 
GLY   HA3  H  N N 189 
GLY   HXT  H  N N 190 
HIS   N    N  N N 191 
HIS   CA   C  N S 192 
HIS   C    C  N N 193 
HIS   O    O  N N 194 
HIS   CB   C  N N 195 
HIS   CG   C  Y N 196 
HIS   ND1  N  Y N 197 
HIS   CD2  C  Y N 198 
HIS   CE1  C  Y N 199 
HIS   NE2  N  Y N 200 
HIS   OXT  O  N N 201 
HIS   H    H  N N 202 
HIS   H2   H  N N 203 
HIS   HA   H  N N 204 
HIS   HB2  H  N N 205 
HIS   HB3  H  N N 206 
HIS   HD1  H  N N 207 
HIS   HD2  H  N N 208 
HIS   HE1  H  N N 209 
HIS   HE2  H  N N 210 
HIS   HXT  H  N N 211 
HOH   O    O  N N 212 
HOH   H1   H  N N 213 
HOH   H2   H  N N 214 
ILE   N    N  N N 215 
ILE   CA   C  N S 216 
ILE   C    C  N N 217 
ILE   O    O  N N 218 
ILE   CB   C  N S 219 
ILE   CG1  C  N N 220 
ILE   CG2  C  N N 221 
ILE   CD1  C  N N 222 
ILE   OXT  O  N N 223 
ILE   H    H  N N 224 
ILE   H2   H  N N 225 
ILE   HA   H  N N 226 
ILE   HB   H  N N 227 
ILE   HG12 H  N N 228 
ILE   HG13 H  N N 229 
ILE   HG21 H  N N 230 
ILE   HG22 H  N N 231 
ILE   HG23 H  N N 232 
ILE   HD11 H  N N 233 
ILE   HD12 H  N N 234 
ILE   HD13 H  N N 235 
ILE   HXT  H  N N 236 
LEU   N    N  N N 237 
LEU   CA   C  N S 238 
LEU   C    C  N N 239 
LEU   O    O  N N 240 
LEU   CB   C  N N 241 
LEU   CG   C  N N 242 
LEU   CD1  C  N N 243 
LEU   CD2  C  N N 244 
LEU   OXT  O  N N 245 
LEU   H    H  N N 246 
LEU   H2   H  N N 247 
LEU   HA   H  N N 248 
LEU   HB2  H  N N 249 
LEU   HB3  H  N N 250 
LEU   HG   H  N N 251 
LEU   HD11 H  N N 252 
LEU   HD12 H  N N 253 
LEU   HD13 H  N N 254 
LEU   HD21 H  N N 255 
LEU   HD22 H  N N 256 
LEU   HD23 H  N N 257 
LEU   HXT  H  N N 258 
LYS   N    N  N N 259 
LYS   CA   C  N S 260 
LYS   C    C  N N 261 
LYS   O    O  N N 262 
LYS   CB   C  N N 263 
LYS   CG   C  N N 264 
LYS   CD   C  N N 265 
LYS   CE   C  N N 266 
LYS   NZ   N  N N 267 
LYS   OXT  O  N N 268 
LYS   H    H  N N 269 
LYS   H2   H  N N 270 
LYS   HA   H  N N 271 
LYS   HB2  H  N N 272 
LYS   HB3  H  N N 273 
LYS   HG2  H  N N 274 
LYS   HG3  H  N N 275 
LYS   HD2  H  N N 276 
LYS   HD3  H  N N 277 
LYS   HE2  H  N N 278 
LYS   HE3  H  N N 279 
LYS   HZ1  H  N N 280 
LYS   HZ2  H  N N 281 
LYS   HZ3  H  N N 282 
LYS   HXT  H  N N 283 
MET   N    N  N N 284 
MET   CA   C  N S 285 
MET   C    C  N N 286 
MET   O    O  N N 287 
MET   CB   C  N N 288 
MET   CG   C  N N 289 
MET   SD   S  N N 290 
MET   CE   C  N N 291 
MET   OXT  O  N N 292 
MET   H    H  N N 293 
MET   H2   H  N N 294 
MET   HA   H  N N 295 
MET   HB2  H  N N 296 
MET   HB3  H  N N 297 
MET   HG2  H  N N 298 
MET   HG3  H  N N 299 
MET   HE1  H  N N 300 
MET   HE2  H  N N 301 
MET   HE3  H  N N 302 
MET   HXT  H  N N 303 
NAG   C1   C  N R 304 
NAG   C2   C  N R 305 
NAG   C3   C  N R 306 
NAG   C4   C  N S 307 
NAG   C5   C  N R 308 
NAG   C6   C  N N 309 
NAG   C7   C  N N 310 
NAG   C8   C  N N 311 
NAG   N2   N  N N 312 
NAG   O1   O  N N 313 
NAG   O3   O  N N 314 
NAG   O4   O  N N 315 
NAG   O5   O  N N 316 
NAG   O6   O  N N 317 
NAG   O7   O  N N 318 
NAG   H1   H  N N 319 
NAG   H2   H  N N 320 
NAG   H3   H  N N 321 
NAG   H4   H  N N 322 
NAG   H5   H  N N 323 
NAG   H61  H  N N 324 
NAG   H62  H  N N 325 
NAG   H81  H  N N 326 
NAG   H82  H  N N 327 
NAG   H83  H  N N 328 
NAG   HN2  H  N N 329 
NAG   HO1  H  N N 330 
NAG   HO3  H  N N 331 
NAG   HO4  H  N N 332 
NAG   HO6  H  N N 333 
PHE   N    N  N N 334 
PHE   CA   C  N S 335 
PHE   C    C  N N 336 
PHE   O    O  N N 337 
PHE   CB   C  N N 338 
PHE   CG   C  Y N 339 
PHE   CD1  C  Y N 340 
PHE   CD2  C  Y N 341 
PHE   CE1  C  Y N 342 
PHE   CE2  C  Y N 343 
PHE   CZ   C  Y N 344 
PHE   OXT  O  N N 345 
PHE   H    H  N N 346 
PHE   H2   H  N N 347 
PHE   HA   H  N N 348 
PHE   HB2  H  N N 349 
PHE   HB3  H  N N 350 
PHE   HD1  H  N N 351 
PHE   HD2  H  N N 352 
PHE   HE1  H  N N 353 
PHE   HE2  H  N N 354 
PHE   HZ   H  N N 355 
PHE   HXT  H  N N 356 
PRO   N    N  N N 357 
PRO   CA   C  N S 358 
PRO   C    C  N N 359 
PRO   O    O  N N 360 
PRO   CB   C  N N 361 
PRO   CG   C  N N 362 
PRO   CD   C  N N 363 
PRO   OXT  O  N N 364 
PRO   H    H  N N 365 
PRO   HA   H  N N 366 
PRO   HB2  H  N N 367 
PRO   HB3  H  N N 368 
PRO   HG2  H  N N 369 
PRO   HG3  H  N N 370 
PRO   HD2  H  N N 371 
PRO   HD3  H  N N 372 
PRO   HXT  H  N N 373 
SER   N    N  N N 374 
SER   CA   C  N S 375 
SER   C    C  N N 376 
SER   O    O  N N 377 
SER   CB   C  N N 378 
SER   OG   O  N N 379 
SER   OXT  O  N N 380 
SER   H    H  N N 381 
SER   H2   H  N N 382 
SER   HA   H  N N 383 
SER   HB2  H  N N 384 
SER   HB3  H  N N 385 
SER   HG   H  N N 386 
SER   HXT  H  N N 387 
THR   N    N  N N 388 
THR   CA   C  N S 389 
THR   C    C  N N 390 
THR   O    O  N N 391 
THR   CB   C  N R 392 
THR   OG1  O  N N 393 
THR   CG2  C  N N 394 
THR   OXT  O  N N 395 
THR   H    H  N N 396 
THR   H2   H  N N 397 
THR   HA   H  N N 398 
THR   HB   H  N N 399 
THR   HG1  H  N N 400 
THR   HG21 H  N N 401 
THR   HG22 H  N N 402 
THR   HG23 H  N N 403 
THR   HXT  H  N N 404 
TRP   N    N  N N 405 
TRP   CA   C  N S 406 
TRP   C    C  N N 407 
TRP   O    O  N N 408 
TRP   CB   C  N N 409 
TRP   CG   C  Y N 410 
TRP   CD1  C  Y N 411 
TRP   CD2  C  Y N 412 
TRP   NE1  N  Y N 413 
TRP   CE2  C  Y N 414 
TRP   CE3  C  Y N 415 
TRP   CZ2  C  Y N 416 
TRP   CZ3  C  Y N 417 
TRP   CH2  C  Y N 418 
TRP   OXT  O  N N 419 
TRP   H    H  N N 420 
TRP   H2   H  N N 421 
TRP   HA   H  N N 422 
TRP   HB2  H  N N 423 
TRP   HB3  H  N N 424 
TRP   HD1  H  N N 425 
TRP   HE1  H  N N 426 
TRP   HE3  H  N N 427 
TRP   HZ2  H  N N 428 
TRP   HZ3  H  N N 429 
TRP   HH2  H  N N 430 
TRP   HXT  H  N N 431 
TYR   N    N  N N 432 
TYR   CA   C  N S 433 
TYR   C    C  N N 434 
TYR   O    O  N N 435 
TYR   CB   C  N N 436 
TYR   CG   C  Y N 437 
TYR   CD1  C  Y N 438 
TYR   CD2  C  Y N 439 
TYR   CE1  C  Y N 440 
TYR   CE2  C  Y N 441 
TYR   CZ   C  Y N 442 
TYR   OH   O  N N 443 
TYR   OXT  O  N N 444 
TYR   H    H  N N 445 
TYR   H2   H  N N 446 
TYR   HA   H  N N 447 
TYR   HB2  H  N N 448 
TYR   HB3  H  N N 449 
TYR   HD1  H  N N 450 
TYR   HD2  H  N N 451 
TYR   HE1  H  N N 452 
TYR   HE2  H  N N 453 
TYR   HH   H  N N 454 
TYR   HXT  H  N N 455 
VAL   N    N  N N 456 
VAL   CA   C  N S 457 
VAL   C    C  N N 458 
VAL   O    O  N N 459 
VAL   CB   C  N N 460 
VAL   CG1  C  N N 461 
VAL   CG2  C  N N 462 
VAL   OXT  O  N N 463 
VAL   H    H  N N 464 
VAL   H2   H  N N 465 
VAL   HA   H  N N 466 
VAL   HB   H  N N 467 
VAL   HG11 H  N N 468 
VAL   HG12 H  N N 469 
VAL   HG13 H  N N 470 
VAL   HG21 H  N N 471 
VAL   HG22 H  N N 472 
VAL   HG23 H  N N 473 
VAL   HXT  H  N N 474 
ZN    ZN   ZN N N 475 
# 
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 
A1IJ3 C28 O29  doub N N 1   
A1IJ3 C28 N27  sing N N 2   
A1IJ3 C28 N24  sing N N 3   
A1IJ3 C26 N27  sing N N 4   
A1IJ3 C26 C25  sing N N 5   
A1IJ3 N24 C25  sing N N 6   
A1IJ3 N24 C21  sing N N 7   
A1IJ3 C21 C20  doub Y N 8   
A1IJ3 C21 C22  sing Y N 9   
A1IJ3 C20 C19  sing Y N 10  
A1IJ3 C18 C19  doub Y N 11  
A1IJ3 C22 C23  doub Y N 12  
A1IJ3 C18 C23  sing Y N 13  
A1IJ3 C18 N17  sing N N 14  
A1IJ3 N17 C30  sing N N 15  
A1IJ3 N17 C16  sing N N 16  
A1IJ3 C30 O31  doub N N 17  
A1IJ3 C30 N13  sing N N 18  
A1IJ3 C15 C16  doub N N 19  
A1IJ3 C15 C32  sing N N 20  
A1IJ3 C15 C14  sing N N 21  
A1IJ3 C32 O33  doub N N 22  
A1IJ3 C32 O34  sing N N 23  
A1IJ3 C14 O35  doub N N 24  
A1IJ3 C14 N13  sing N N 25  
A1IJ3 N13 C12  sing N N 26  
A1IJ3 C3  C12  sing N N 27  
A1IJ3 C3  C2   sing Y N 28  
A1IJ3 C3  C4   doub Y N 29  
A1IJ3 C2  C1   doub Y N 30  
A1IJ3 C1  C6   sing Y N 31  
A1IJ3 C5  C6   doub Y N 32  
A1IJ3 C5  C7   sing N N 33  
A1IJ3 C5  C4   sing Y N 34  
A1IJ3 C7  F10  sing N N 35  
A1IJ3 C7  F8   sing N N 36  
A1IJ3 C7  F9   sing N N 37  
A1IJ3 C4  C11  sing N N 38  
A1IJ3 C6  H6   sing N N 39  
A1IJ3 C20 H20  sing N N 40  
A1IJ3 C22 H22  sing N N 41  
A1IJ3 C26 H26  sing N N 42  
A1IJ3 C26 H6O  sing N N 43  
A1IJ3 N27 H27  sing N N 44  
A1IJ3 C25 H25  sing N N 45  
A1IJ3 C25 H6N  sing N N 46  
A1IJ3 C19 H19  sing N N 47  
A1IJ3 C23 H23  sing N N 48  
A1IJ3 C16 H16  sing N N 49  
A1IJ3 O34 H1   sing N N 50  
A1IJ3 C12 H6M  sing N N 51  
A1IJ3 C12 H6L  sing N N 52  
A1IJ3 C2  H2   sing N N 53  
A1IJ3 C1  H14  sing N N 54  
A1IJ3 C11 H11  sing N N 55  
A1IJ3 C11 H12  sing N N 56  
A1IJ3 C11 H13  sing N N 57  
ALA   N   CA   sing N N 58  
ALA   N   H    sing N N 59  
ALA   N   H2   sing N N 60  
ALA   CA  C    sing N N 61  
ALA   CA  CB   sing N N 62  
ALA   CA  HA   sing N N 63  
ALA   C   O    doub N N 64  
ALA   C   OXT  sing N N 65  
ALA   CB  HB1  sing N N 66  
ALA   CB  HB2  sing N N 67  
ALA   CB  HB3  sing N N 68  
ALA   OXT HXT  sing N N 69  
ARG   N   CA   sing N N 70  
ARG   N   H    sing N N 71  
ARG   N   H2   sing N N 72  
ARG   CA  C    sing N N 73  
ARG   CA  CB   sing N N 74  
ARG   CA  HA   sing N N 75  
ARG   C   O    doub N N 76  
ARG   C   OXT  sing N N 77  
ARG   CB  CG   sing N N 78  
ARG   CB  HB2  sing N N 79  
ARG   CB  HB3  sing N N 80  
ARG   CG  CD   sing N N 81  
ARG   CG  HG2  sing N N 82  
ARG   CG  HG3  sing N N 83  
ARG   CD  NE   sing N N 84  
ARG   CD  HD2  sing N N 85  
ARG   CD  HD3  sing N N 86  
ARG   NE  CZ   sing N N 87  
ARG   NE  HE   sing N N 88  
ARG   CZ  NH1  sing N N 89  
ARG   CZ  NH2  doub N N 90  
ARG   NH1 HH11 sing N N 91  
ARG   NH1 HH12 sing N N 92  
ARG   NH2 HH21 sing N N 93  
ARG   NH2 HH22 sing N N 94  
ARG   OXT HXT  sing N N 95  
ASN   N   CA   sing N N 96  
ASN   N   H    sing N N 97  
ASN   N   H2   sing N N 98  
ASN   CA  C    sing N N 99  
ASN   CA  CB   sing N N 100 
ASN   CA  HA   sing N N 101 
ASN   C   O    doub N N 102 
ASN   C   OXT  sing N N 103 
ASN   CB  CG   sing N N 104 
ASN   CB  HB2  sing N N 105 
ASN   CB  HB3  sing N N 106 
ASN   CG  OD1  doub N N 107 
ASN   CG  ND2  sing N N 108 
ASN   ND2 HD21 sing N N 109 
ASN   ND2 HD22 sing N N 110 
ASN   OXT HXT  sing N N 111 
ASP   N   CA   sing N N 112 
ASP   N   H    sing N N 113 
ASP   N   H2   sing N N 114 
ASP   CA  C    sing N N 115 
ASP   CA  CB   sing N N 116 
ASP   CA  HA   sing N N 117 
ASP   C   O    doub N N 118 
ASP   C   OXT  sing N N 119 
ASP   CB  CG   sing N N 120 
ASP   CB  HB2  sing N N 121 
ASP   CB  HB3  sing N N 122 
ASP   CG  OD1  doub N N 123 
ASP   CG  OD2  sing N N 124 
ASP   OD2 HD2  sing N N 125 
ASP   OXT HXT  sing N N 126 
CYS   N   CA   sing N N 127 
CYS   N   H    sing N N 128 
CYS   N   H2   sing N N 129 
CYS   CA  C    sing N N 130 
CYS   CA  CB   sing N N 131 
CYS   CA  HA   sing N N 132 
CYS   C   O    doub N N 133 
CYS   C   OXT  sing N N 134 
CYS   CB  SG   sing N N 135 
CYS   CB  HB2  sing N N 136 
CYS   CB  HB3  sing N N 137 
CYS   SG  HG   sing N N 138 
CYS   OXT HXT  sing N N 139 
GLN   N   CA   sing N N 140 
GLN   N   H    sing N N 141 
GLN   N   H2   sing N N 142 
GLN   CA  C    sing N N 143 
GLN   CA  CB   sing N N 144 
GLN   CA  HA   sing N N 145 
GLN   C   O    doub N N 146 
GLN   C   OXT  sing N N 147 
GLN   CB  CG   sing N N 148 
GLN   CB  HB2  sing N N 149 
GLN   CB  HB3  sing N N 150 
GLN   CG  CD   sing N N 151 
GLN   CG  HG2  sing N N 152 
GLN   CG  HG3  sing N N 153 
GLN   CD  OE1  doub N N 154 
GLN   CD  NE2  sing N N 155 
GLN   NE2 HE21 sing N N 156 
GLN   NE2 HE22 sing N N 157 
GLN   OXT HXT  sing N N 158 
GLU   N   CA   sing N N 159 
GLU   N   H    sing N N 160 
GLU   N   H2   sing N N 161 
GLU   CA  C    sing N N 162 
GLU   CA  CB   sing N N 163 
GLU   CA  HA   sing N N 164 
GLU   C   O    doub N N 165 
GLU   C   OXT  sing N N 166 
GLU   CB  CG   sing N N 167 
GLU   CB  HB2  sing N N 168 
GLU   CB  HB3  sing N N 169 
GLU   CG  CD   sing N N 170 
GLU   CG  HG2  sing N N 171 
GLU   CG  HG3  sing N N 172 
GLU   CD  OE1  doub N N 173 
GLU   CD  OE2  sing N N 174 
GLU   OE2 HE2  sing N N 175 
GLU   OXT HXT  sing N N 176 
GLY   N   CA   sing N N 177 
GLY   N   H    sing N N 178 
GLY   N   H2   sing N N 179 
GLY   CA  C    sing N N 180 
GLY   CA  HA2  sing N N 181 
GLY   CA  HA3  sing N N 182 
GLY   C   O    doub N N 183 
GLY   C   OXT  sing N N 184 
GLY   OXT HXT  sing N N 185 
HIS   N   CA   sing N N 186 
HIS   N   H    sing N N 187 
HIS   N   H2   sing N N 188 
HIS   CA  C    sing N N 189 
HIS   CA  CB   sing N N 190 
HIS   CA  HA   sing N N 191 
HIS   C   O    doub N N 192 
HIS   C   OXT  sing N N 193 
HIS   CB  CG   sing N N 194 
HIS   CB  HB2  sing N N 195 
HIS   CB  HB3  sing N N 196 
HIS   CG  ND1  sing Y N 197 
HIS   CG  CD2  doub Y N 198 
HIS   ND1 CE1  doub Y N 199 
HIS   ND1 HD1  sing N N 200 
HIS   CD2 NE2  sing Y N 201 
HIS   CD2 HD2  sing N N 202 
HIS   CE1 NE2  sing Y N 203 
HIS   CE1 HE1  sing N N 204 
HIS   NE2 HE2  sing N N 205 
HIS   OXT HXT  sing N N 206 
HOH   O   H1   sing N N 207 
HOH   O   H2   sing N N 208 
ILE   N   CA   sing N N 209 
ILE   N   H    sing N N 210 
ILE   N   H2   sing N N 211 
ILE   CA  C    sing N N 212 
ILE   CA  CB   sing N N 213 
ILE   CA  HA   sing N N 214 
ILE   C   O    doub N N 215 
ILE   C   OXT  sing N N 216 
ILE   CB  CG1  sing N N 217 
ILE   CB  CG2  sing N N 218 
ILE   CB  HB   sing N N 219 
ILE   CG1 CD1  sing N N 220 
ILE   CG1 HG12 sing N N 221 
ILE   CG1 HG13 sing N N 222 
ILE   CG2 HG21 sing N N 223 
ILE   CG2 HG22 sing N N 224 
ILE   CG2 HG23 sing N N 225 
ILE   CD1 HD11 sing N N 226 
ILE   CD1 HD12 sing N N 227 
ILE   CD1 HD13 sing N N 228 
ILE   OXT HXT  sing N N 229 
LEU   N   CA   sing N N 230 
LEU   N   H    sing N N 231 
LEU   N   H2   sing N N 232 
LEU   CA  C    sing N N 233 
LEU   CA  CB   sing N N 234 
LEU   CA  HA   sing N N 235 
LEU   C   O    doub N N 236 
LEU   C   OXT  sing N N 237 
LEU   CB  CG   sing N N 238 
LEU   CB  HB2  sing N N 239 
LEU   CB  HB3  sing N N 240 
LEU   CG  CD1  sing N N 241 
LEU   CG  CD2  sing N N 242 
LEU   CG  HG   sing N N 243 
LEU   CD1 HD11 sing N N 244 
LEU   CD1 HD12 sing N N 245 
LEU   CD1 HD13 sing N N 246 
LEU   CD2 HD21 sing N N 247 
LEU   CD2 HD22 sing N N 248 
LEU   CD2 HD23 sing N N 249 
LEU   OXT HXT  sing N N 250 
LYS   N   CA   sing N N 251 
LYS   N   H    sing N N 252 
LYS   N   H2   sing N N 253 
LYS   CA  C    sing N N 254 
LYS   CA  CB   sing N N 255 
LYS   CA  HA   sing N N 256 
LYS   C   O    doub N N 257 
LYS   C   OXT  sing N N 258 
LYS   CB  CG   sing N N 259 
LYS   CB  HB2  sing N N 260 
LYS   CB  HB3  sing N N 261 
LYS   CG  CD   sing N N 262 
LYS   CG  HG2  sing N N 263 
LYS   CG  HG3  sing N N 264 
LYS   CD  CE   sing N N 265 
LYS   CD  HD2  sing N N 266 
LYS   CD  HD3  sing N N 267 
LYS   CE  NZ   sing N N 268 
LYS   CE  HE2  sing N N 269 
LYS   CE  HE3  sing N N 270 
LYS   NZ  HZ1  sing N N 271 
LYS   NZ  HZ2  sing N N 272 
LYS   NZ  HZ3  sing N N 273 
LYS   OXT HXT  sing N N 274 
MET   N   CA   sing N N 275 
MET   N   H    sing N N 276 
MET   N   H2   sing N N 277 
MET   CA  C    sing N N 278 
MET   CA  CB   sing N N 279 
MET   CA  HA   sing N N 280 
MET   C   O    doub N N 281 
MET   C   OXT  sing N N 282 
MET   CB  CG   sing N N 283 
MET   CB  HB2  sing N N 284 
MET   CB  HB3  sing N N 285 
MET   CG  SD   sing N N 286 
MET   CG  HG2  sing N N 287 
MET   CG  HG3  sing N N 288 
MET   SD  CE   sing N N 289 
MET   CE  HE1  sing N N 290 
MET   CE  HE2  sing N N 291 
MET   CE  HE3  sing N N 292 
MET   OXT HXT  sing N N 293 
NAG   C1  C2   sing N N 294 
NAG   C1  O1   sing N N 295 
NAG   C1  O5   sing N N 296 
NAG   C1  H1   sing N N 297 
NAG   C2  C3   sing N N 298 
NAG   C2  N2   sing N N 299 
NAG   C2  H2   sing N N 300 
NAG   C3  C4   sing N N 301 
NAG   C3  O3   sing N N 302 
NAG   C3  H3   sing N N 303 
NAG   C4  C5   sing N N 304 
NAG   C4  O4   sing N N 305 
NAG   C4  H4   sing N N 306 
NAG   C5  C6   sing N N 307 
NAG   C5  O5   sing N N 308 
NAG   C5  H5   sing N N 309 
NAG   C6  O6   sing N N 310 
NAG   C6  H61  sing N N 311 
NAG   C6  H62  sing N N 312 
NAG   C7  C8   sing N N 313 
NAG   C7  N2   sing N N 314 
NAG   C7  O7   doub N N 315 
NAG   C8  H81  sing N N 316 
NAG   C8  H82  sing N N 317 
NAG   C8  H83  sing N N 318 
NAG   N2  HN2  sing N N 319 
NAG   O1  HO1  sing N N 320 
NAG   O3  HO3  sing N N 321 
NAG   O4  HO4  sing N N 322 
NAG   O6  HO6  sing N N 323 
PHE   N   CA   sing N N 324 
PHE   N   H    sing N N 325 
PHE   N   H2   sing N N 326 
PHE   CA  C    sing N N 327 
PHE   CA  CB   sing N N 328 
PHE   CA  HA   sing N N 329 
PHE   C   O    doub N N 330 
PHE   C   OXT  sing N N 331 
PHE   CB  CG   sing N N 332 
PHE   CB  HB2  sing N N 333 
PHE   CB  HB3  sing N N 334 
PHE   CG  CD1  doub Y N 335 
PHE   CG  CD2  sing Y N 336 
PHE   CD1 CE1  sing Y N 337 
PHE   CD1 HD1  sing N N 338 
PHE   CD2 CE2  doub Y N 339 
PHE   CD2 HD2  sing N N 340 
PHE   CE1 CZ   doub Y N 341 
PHE   CE1 HE1  sing N N 342 
PHE   CE2 CZ   sing Y N 343 
PHE   CE2 HE2  sing N N 344 
PHE   CZ  HZ   sing N N 345 
PHE   OXT HXT  sing N N 346 
PRO   N   CA   sing N N 347 
PRO   N   CD   sing N N 348 
PRO   N   H    sing N N 349 
PRO   CA  C    sing N N 350 
PRO   CA  CB   sing N N 351 
PRO   CA  HA   sing N N 352 
PRO   C   O    doub N N 353 
PRO   C   OXT  sing N N 354 
PRO   CB  CG   sing N N 355 
PRO   CB  HB2  sing N N 356 
PRO   CB  HB3  sing N N 357 
PRO   CG  CD   sing N N 358 
PRO   CG  HG2  sing N N 359 
PRO   CG  HG3  sing N N 360 
PRO   CD  HD2  sing N N 361 
PRO   CD  HD3  sing N N 362 
PRO   OXT HXT  sing N N 363 
SER   N   CA   sing N N 364 
SER   N   H    sing N N 365 
SER   N   H2   sing N N 366 
SER   CA  C    sing N N 367 
SER   CA  CB   sing N N 368 
SER   CA  HA   sing N N 369 
SER   C   O    doub N N 370 
SER   C   OXT  sing N N 371 
SER   CB  OG   sing N N 372 
SER   CB  HB2  sing N N 373 
SER   CB  HB3  sing N N 374 
SER   OG  HG   sing N N 375 
SER   OXT HXT  sing N N 376 
THR   N   CA   sing N N 377 
THR   N   H    sing N N 378 
THR   N   H2   sing N N 379 
THR   CA  C    sing N N 380 
THR   CA  CB   sing N N 381 
THR   CA  HA   sing N N 382 
THR   C   O    doub N N 383 
THR   C   OXT  sing N N 384 
THR   CB  OG1  sing N N 385 
THR   CB  CG2  sing N N 386 
THR   CB  HB   sing N N 387 
THR   OG1 HG1  sing N N 388 
THR   CG2 HG21 sing N N 389 
THR   CG2 HG22 sing N N 390 
THR   CG2 HG23 sing N N 391 
THR   OXT HXT  sing N N 392 
TRP   N   CA   sing N N 393 
TRP   N   H    sing N N 394 
TRP   N   H2   sing N N 395 
TRP   CA  C    sing N N 396 
TRP   CA  CB   sing N N 397 
TRP   CA  HA   sing N N 398 
TRP   C   O    doub N N 399 
TRP   C   OXT  sing N N 400 
TRP   CB  CG   sing N N 401 
TRP   CB  HB2  sing N N 402 
TRP   CB  HB3  sing N N 403 
TRP   CG  CD1  doub Y N 404 
TRP   CG  CD2  sing Y N 405 
TRP   CD1 NE1  sing Y N 406 
TRP   CD1 HD1  sing N N 407 
TRP   CD2 CE2  doub Y N 408 
TRP   CD2 CE3  sing Y N 409 
TRP   NE1 CE2  sing Y N 410 
TRP   NE1 HE1  sing N N 411 
TRP   CE2 CZ2  sing Y N 412 
TRP   CE3 CZ3  doub Y N 413 
TRP   CE3 HE3  sing N N 414 
TRP   CZ2 CH2  doub Y N 415 
TRP   CZ2 HZ2  sing N N 416 
TRP   CZ3 CH2  sing Y N 417 
TRP   CZ3 HZ3  sing N N 418 
TRP   CH2 HH2  sing N N 419 
TRP   OXT HXT  sing N N 420 
TYR   N   CA   sing N N 421 
TYR   N   H    sing N N 422 
TYR   N   H2   sing N N 423 
TYR   CA  C    sing N N 424 
TYR   CA  CB   sing N N 425 
TYR   CA  HA   sing N N 426 
TYR   C   O    doub N N 427 
TYR   C   OXT  sing N N 428 
TYR   CB  CG   sing N N 429 
TYR   CB  HB2  sing N N 430 
TYR   CB  HB3  sing N N 431 
TYR   CG  CD1  doub Y N 432 
TYR   CG  CD2  sing Y N 433 
TYR   CD1 CE1  sing Y N 434 
TYR   CD1 HD1  sing N N 435 
TYR   CD2 CE2  doub Y N 436 
TYR   CD2 HD2  sing N N 437 
TYR   CE1 CZ   doub Y N 438 
TYR   CE1 HE1  sing N N 439 
TYR   CE2 CZ   sing Y N 440 
TYR   CE2 HE2  sing N N 441 
TYR   CZ  OH   sing N N 442 
TYR   OH  HH   sing N N 443 
TYR   OXT HXT  sing N N 444 
VAL   N   CA   sing N N 445 
VAL   N   H    sing N N 446 
VAL   N   H2   sing N N 447 
VAL   CA  C    sing N N 448 
VAL   CA  CB   sing N N 449 
VAL   CA  HA   sing N N 450 
VAL   C   O    doub N N 451 
VAL   C   OXT  sing N N 452 
VAL   CB  CG1  sing N N 453 
VAL   CB  CG2  sing N N 454 
VAL   CB  HB   sing N N 455 
VAL   CG1 HG11 sing N N 456 
VAL   CG1 HG12 sing N N 457 
VAL   CG1 HG13 sing N N 458 
VAL   CG2 HG21 sing N N 459 
VAL   CG2 HG22 sing N N 460 
VAL   CG2 HG23 sing N N 461 
VAL   OXT HXT  sing N N 462 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
loop_
_pdbx_entity_branch_list.entity_id 
_pdbx_entity_branch_list.comp_id 
_pdbx_entity_branch_list.num 
_pdbx_entity_branch_list.hetero 
2 NAG 1 n 
2 NAG 2 n 
# 
_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      Other 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          'in-house model' 
# 
_atom_sites.entry_id                    9GC9 
_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]   0.013525 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.013525 
_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]   0.020446 
_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 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
F  9  9  3.539  10.282 2.641 4.294  1.517 0.262  1.024 26.148 0.346   
N  7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O  8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S  16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.184   
ZN 30 30 14.081 3.266  7.035 0.233  5.168 10.316 2.411 58.710 -0.308  
# 
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_site.calc_flag 
ATOM   1    N  N   . ILE   A 1 1   ? -20.949 -30.218 -10.423 1.000 45.066  0 16  ILE   AAA N   1 ? 
ATOM   2    C  CA  . ILE   A 1 1   ? -21.283 -29.254 -11.514 1.000 43.868  0 16  ILE   AAA CA  1 ? 
ATOM   3    C  C   . ILE   A 1 1   ? -22.588 -29.704 -12.151 1.000 41.913  0 16  ILE   AAA C   1 ? 
ATOM   4    O  O   . ILE   A 1 1   ? -22.694 -30.819 -12.631 1.000 46.027  0 16  ILE   AAA O   1 ? 
ATOM   5    C  CB  . ILE   A 1 1   ? -20.168 -29.138 -12.570 1.000 43.460  0 16  ILE   AAA CB  1 ? 
ATOM   6    C  CG1 . ILE   A 1 1   ? -18.855 -28.627 -11.984 1.000 43.900  0 16  ILE   AAA CG1 1 ? 
ATOM   7    C  CG2 . ILE   A 1 1   ? -20.624 -28.245 -13.714 1.000 42.645  0 16  ILE   AAA CG2 1 ? 
ATOM   8    C  CD1 . ILE   A 1 1   ? -18.886 -27.150 -11.596 1.000 44.503  0 16  ILE   AAA CD1 1 ? 
ATOM   9    N  N   . ILE   A 1 2   ? -23.569 -28.806 -12.133 1.000 41.666  0 17  ILE   AAA N   1 ? 
ATOM   10   C  CA  . ILE   A 1 2   ? -24.882 -29.056 -12.676 1.000 43.729  0 17  ILE   AAA CA  1 ? 
ATOM   11   C  C   . ILE   A 1 2   ? -24.994 -28.359 -14.029 1.000 42.658  0 17  ILE   AAA C   1 ? 
ATOM   12   O  O   . ILE   A 1 2   ? -24.700 -27.175 -14.127 1.000 42.934  0 17  ILE   AAA O   1 ? 
ATOM   13   C  CB  . ILE   A 1 2   ? -25.946 -28.532 -11.695 1.000 43.213  0 17  ILE   AAA CB  1 ? 
ATOM   14   C  CG1 . ILE   A 1 2   ? -25.850 -29.228 -10.341 1.000 42.018  0 17  ILE   AAA CG1 1 ? 
ATOM   15   C  CG2 . ILE   A 1 2   ? -27.320 -28.686 -12.318 1.000 44.434  0 17  ILE   AAA CG2 1 ? 
ATOM   16   C  CD1 . ILE   A 1 2   ? -26.802 -28.679 -9.308  1.000 42.097  0 17  ILE   AAA CD1 1 ? 
ATOM   17   N  N   . GLY   A 1 3   ? -25.439 -29.086 -15.061 1.000 44.366  0 18  GLY   AAA N   1 ? 
ATOM   18   C  CA  . GLY   A 1 3   ? -25.760 -28.469 -16.339 1.000 46.703  0 18  GLY   AAA CA  1 ? 
ATOM   19   C  C   . GLY   A 1 3   ? -24.510 -28.136 -17.152 1.000 48.572  0 18  GLY   AAA C   1 ? 
ATOM   20   O  O   . GLY   A 1 3   ? -24.557 -27.282 -18.036 1.000 49.580  0 18  GLY   AAA O   1 ? 
ATOM   21   N  N   . GLY   A 1 4   ? -23.414 -28.852 -16.873 1.000 47.719  0 19  GLY   AAA N   1 ? 
ATOM   22   C  CA  . GLY   A 1 4   ? -22.131 -28.588 -17.512 1.000 50.353  0 19  GLY   AAA CA  1 ? 
ATOM   23   C  C   . GLY   A 1 4   ? -21.726 -29.658 -18.518 1.000 49.401  0 19  GLY   AAA C   1 ? 
ATOM   24   O  O   . GLY   A 1 4   ? -22.554 -30.455 -18.952 1.000 52.404  0 19  GLY   AAA O   1 ? 
ATOM   25   N  N   . THR   A 1 5   ? -20.440 -29.659 -18.890 1.000 47.961  0 20  THR   AAA N   1 ? 
ATOM   26   C  CA  . THR   A 1 5   ? -19.932 -30.629 -19.849 1.000 51.664  0 20  THR   AAA CA  1 ? 
ATOM   27   C  C   . THR   A 1 5   ? -18.620 -31.213 -19.336 1.000 49.474  0 20  THR   AAA C   1 ? 
ATOM   28   O  O   . THR   A 1 5   ? -17.821 -30.526 -18.716 1.000 48.361  0 20  THR   AAA O   1 ? 
ATOM   29   C  CB  . THR   A 1 5   ? -19.799 -30.028 -21.256 1.000 53.693  0 20  THR   AAA CB  1 ? 
ATOM   30   O  OG1 . THR   A 1 5   ? -18.983 -28.859 -21.244 1.000 55.704  0 20  THR   AAA OG1 1 ? 
ATOM   31   C  CG2 . THR   A 1 5   ? -21.138 -29.630 -21.830 1.000 58.262  0 20  THR   AAA CG2 1 ? 
ATOM   32   N  N   . GLU   A 1 6   ? -18.411 -32.503 -19.582 1.000 48.819  0 21  GLU   AAA N   1 ? 
ATOM   33   C  CA  . GLU   A 1 6   ? -17.154 -33.126 -19.221 1.000 46.998  0 21  GLU   AAA CA  1 ? 
ATOM   34   C  C   . GLU   A 1 6   ? -16.033 -32.422 -19.977 1.000 45.461  0 21  GLU   AAA C   1 ? 
ATOM   35   O  O   . GLU   A 1 6   ? -16.048 -32.380 -21.207 1.000 44.355  0 21  GLU   AAA O   1 ? 
ATOM   36   C  CB  . GLU   A 1 6   ? -17.179 -34.615 -19.556 1.000 49.961  0 21  GLU   AAA CB  1 ? 
ATOM   37   C  CG  . GLU   A 1 6   ? -15.858 -35.308 -19.275 1.000 52.917  0 21  GLU   AAA CG  1 ? 
ATOM   38   C  CD  . GLU   A 1 6   ? -15.785 -36.756 -19.727 1.000 55.767  0 21  GLU   AAA CD  1 ? 
ATOM   39   O  OE1 . GLU   A 1 6   ? -16.804 -37.255 -20.253 1.000 57.325  0 21  GLU   AAA OE1 1 ? 
ATOM   40   O  OE2 . GLU   A 1 6   ? -14.706 -37.369 -19.572 1.000 54.104  0 21  GLU   AAA OE2 1 ? 
ATOM   41   N  N   . CYS   A 1 7   ? -15.064 -31.903 -19.214 1.000 46.669  0 22  CYS   AAA N   1 ? 
ATOM   42   C  CA  . CYS   A 1 7   ? -13.871 -31.267 -19.747 1.000 48.619  0 22  CYS   AAA CA  1 ? 
ATOM   43   C  C   . CYS   A 1 7   ? -13.061 -32.220 -20.613 1.000 51.933  0 22  CYS   AAA C   1 ? 
ATOM   44   O  O   . CYS   A 1 7   ? -13.019 -33.411 -20.341 1.000 56.225  0 22  CYS   AAA O   1 ? 
ATOM   45   C  CB  . CYS   A 1 7   ? -12.920 -30.860 -18.632 1.000 50.982  0 22  CYS   AAA CB  1 ? 
ATOM   46   S  SG  . CYS   A 1 7   ? -13.529 -29.506 -17.608 1.000 47.437  0 22  CYS   AAA SG  1 ? 
ATOM   47   N  N   . LYS   A 1 8   ? -12.360 -31.673 -21.607 1.000 52.825  0 23  LYS   AAA N   1 ? 
ATOM   48   C  CA  . LYS   A 1 8   ? -11.293 -32.412 -22.260 1.000 56.888  0 23  LYS   AAA CA  1 ? 
ATOM   49   C  C   . LYS   A 1 8   ? -10.268 -32.807 -21.192 1.000 51.201  0 23  LYS   AAA C   1 ? 
ATOM   50   O  O   . LYS   A 1 8   ? -9.820  -31.949 -20.436 1.000 46.424  0 23  LYS   AAA O   1 ? 
ATOM   51   C  CB  . LYS   A 1 8   ? -10.656 -31.554 -23.357 1.000 61.934  0 23  LYS   AAA CB  1 ? 
ATOM   52   C  CG  . LYS   A 1 8   ? -9.674  -32.274 -24.270 1.000 66.366  0 23  LYS   AAA CG  1 ? 
ATOM   53   C  CD  . LYS   A 1 8   ? -8.814  -31.328 -25.076 1.000 70.701  0 23  LYS   AAA CD  1 ? 
ATOM   54   C  CE  . LYS   A 1 8   ? -7.872  -32.045 -26.015 1.000 75.362  0 23  LYS   AAA CE  1 ? 
ATOM   55   N  NZ  . LYS   A 1 8   ? -6.534  -31.415 -25.981 1.000 78.270  0 23  LYS   AAA NZ  1 ? 
ATOM   56   N  N   . PRO   A 1 9   ? -9.886  -34.103 -21.065 1.000 49.266  0 24  PRO   AAA N   1 ? 
ATOM   57   C  CA  . PRO   A 1 9   ? -8.957  -34.531 -20.016 1.000 48.224  0 24  PRO   AAA CA  1 ? 
ATOM   58   C  C   . PRO   A 1 9   ? -7.679  -33.687 -19.943 1.000 45.055  0 24  PRO   AAA C   1 ? 
ATOM   59   O  O   . PRO   A 1 9   ? -7.010  -33.464 -20.952 1.000 43.168  0 24  PRO   AAA O   1 ? 
ATOM   60   C  CB  . PRO   A 1 9   ? -8.648  -35.989 -20.380 1.000 50.340  0 24  PRO   AAA CB  1 ? 
ATOM   61   C  CG  . PRO   A 1 9   ? -9.865  -36.448 -21.155 1.000 53.375  0 24  PRO   AAA CG  1 ? 
ATOM   62   C  CD  . PRO   A 1 9   ? -10.327 -35.222 -21.915 1.000 53.320  0 24  PRO   AAA CD  1 ? 
ATOM   63   N  N   . HIS   A 1 10  ? -7.385  -33.186 -18.732 1.000 44.492  0 25  HIS   AAA N   1 ? 
ATOM   64   C  CA  . HIS   A 1 10  ? -6.172  -32.430 -18.415 1.000 43.876  0 25  HIS   AAA CA  1 ? 
ATOM   65   C  C   . HIS   A 1 10  ? -6.125  -31.050 -19.072 1.000 43.332  0 25  HIS   AAA C   1 ? 
ATOM   66   O  O   . HIS   A 1 10  ? -5.053  -30.471 -19.185 1.000 44.747  0 25  HIS   AAA O   1 ? 
ATOM   67   C  CB  . HIS   A 1 10  ? -4.909  -33.208 -18.815 1.000 44.711  0 25  HIS   AAA CB  1 ? 
ATOM   68   C  CG  . HIS   A 1 10  ? -4.976  -34.597 -18.312 1.000 43.147  0 25  HIS   AAA CG  1 ? 
ATOM   69   N  ND1 . HIS   A 1 10  ? -5.079  -34.899 -16.972 1.000 40.226  0 25  HIS   AAA ND1 1 ? 
ATOM   70   C  CD2 . HIS   A 1 10  ? -5.050  -35.747 -18.973 1.000 42.068  0 25  HIS   AAA CD2 1 ? 
ATOM   71   C  CE1 . HIS   A 1 10  ? -5.192  -36.211 -16.842 1.000 40.218  0 25  HIS   AAA CE1 1 ? 
ATOM   72   N  NE2 . HIS   A 1 10  ? -5.165  -36.739 -18.043 1.000 43.350  0 25  HIS   AAA NE2 1 ? 
ATOM   73   N  N   . SER   A 1 11  ? -7.278  -30.518 -19.476 1.000 45.363  0 26  SER   AAA N   1 ? 
ATOM   74   C  CA  . SER   A 1 11  ? -7.355  -29.228 -20.142 1.000 46.995  0 26  SER   AAA CA  1 ? 
ATOM   75   C  C   . SER   A 1 11  ? -7.325  -28.116 -19.094 1.000 42.068  0 26  SER   AAA C   1 ? 
ATOM   76   O  O   . SER   A 1 11  ? -7.177  -26.955 -19.434 1.000 39.455  0 26  SER   AAA O   1 ? 
ATOM   77   C  CB  . SER   A 1 11  ? -8.583  -29.138 -21.020 1.000 43.637  0 26  SER   AAA CB  1 ? 
ATOM   78   O  OG  . SER   A 1 11  ? -9.756  -29.291 -20.241 1.000 46.806  0 26  SER   AAA OG  1 ? 
ATOM   79   N  N   . ARG   A 1 12  ? -7.452  -28.497 -17.824 1.000 40.384  0 27  ARG   AAA N   1 ? 
ATOM   80   C  CA  . ARG   A 1 12  ? -7.419  -27.549 -16.724 1.000 42.379  0 27  ARG   AAA CA  1 ? 
ATOM   81   C  C   . ARG   A 1 12  ? -6.403  -28.047 -15.700 1.000 40.131  0 27  ARG   AAA C   1 ? 
ATOM   82   O  O   . ARG   A 1 12  ? -6.759  -28.484 -14.609 1.000 38.802  0 27  ARG   AAA O   1 ? 
ATOM   83   C  CB  . ARG   A 1 12  ? -8.843  -27.341 -16.198 1.000 46.090  0 27  ARG   AAA CB  1 ? 
ATOM   84   C  CG  . ARG   A 1 12  ? -9.735  -26.602 -17.190 1.000 54.825  0 27  ARG   AAA CG  1 ? 
ATOM   85   C  CD  . ARG   A 1 12  ? -11.146 -26.431 -16.678 1.000 67.608  0 27  ARG   AAA CD  1 ? 
ATOM   86   N  NE  . ARG   A 1 12  ? -11.981 -25.665 -17.592 1.000 76.072  0 27  ARG   AAA NE  1 ? 
ATOM   87   C  CZ  . ARG   A 1 12  ? -12.404 -24.426 -17.372 1.000 79.757  0 27  ARG   AAA CZ  1 ? 
ATOM   88   N  NH1 . ARG   A 1 12  ? -11.922 -23.719 -16.362 1.000 80.346  0 27  ARG   AAA NH1 1 ? 
ATOM   89   N  NH2 . ARG   A 1 12  ? -13.277 -23.881 -18.201 1.000 81.207  0 27  ARG   AAA NH2 1 ? 
ATOM   90   N  N   . PRO   A 1 13  ? -5.098  -27.967 -16.044 1.000 40.244  0 28  PRO   AAA N   1 ? 
ATOM   91   C  CA  . PRO   A 1 13  ? -4.048  -28.684 -15.311 1.000 39.371  0 28  PRO   AAA CA  1 ? 
ATOM   92   C  C   . PRO   A 1 13  ? -3.709  -28.119 -13.929 1.000 38.447  0 28  PRO   AAA C   1 ? 
ATOM   93   O  O   . PRO   A 1 13  ? -2.918  -28.698 -13.185 1.000 36.104  0 28  PRO   AAA O   1 ? 
ATOM   94   C  CB  . PRO   A 1 13  ? -2.855  -28.594 -16.280 1.000 41.187  0 28  PRO   AAA CB  1 ? 
ATOM   95   C  CG  . PRO   A 1 13  ? -3.089  -27.317 -17.080 1.000 40.884  0 28  PRO   AAA CG  1 ? 
ATOM   96   C  CD  . PRO   A 1 13  ? -4.586  -27.207 -17.197 1.000 39.857  0 28  PRO   AAA CD  1 ? 
ATOM   97   N  N   . TYR   A 1 14  ? -4.371  -27.020 -13.568 1.000 39.526  0 29  TYR   AAA N   1 ? 
ATOM   98   C  CA  . TYR   A 1 14  ? -4.187  -26.394 -12.270 1.000 38.836  0 29  TYR   AAA CA  1 ? 
ATOM   99   C  C   . TYR   A 1 14  ? -5.207  -26.936 -11.283 1.000 36.628  0 29  TYR   AAA C   1 ? 
ATOM   100  O  O   . TYR   A 1 14  ? -5.054  -26.714 -10.097 1.000 40.576  0 29  TYR   AAA O   1 ? 
ATOM   101  C  CB  . TYR   A 1 14  ? -4.342  -24.875 -12.390 1.000 41.408  0 29  TYR   AAA CB  1 ? 
ATOM   102  C  CG  . TYR   A 1 14  ? -5.525  -24.455 -13.229 1.000 39.992  0 29  TYR   AAA CG  1 ? 
ATOM   103  C  CD1 . TYR   A 1 14  ? -6.811  -24.418 -12.715 1.000 38.744  0 29  TYR   AAA CD1 1 ? 
ATOM   104  C  CD2 . TYR   A 1 14  ? -5.362  -24.159 -14.567 1.000 42.018  0 29  TYR   AAA CD2 1 ? 
ATOM   105  C  CE1 . TYR   A 1 14  ? -7.894  -24.060 -13.502 1.000 40.452  0 29  TYR   AAA CE1 1 ? 
ATOM   106  C  CE2 . TYR   A 1 14  ? -6.435  -23.812 -15.371 1.000 42.208  0 29  TYR   AAA CE2 1 ? 
ATOM   107  C  CZ  . TYR   A 1 14  ? -7.710  -23.757 -14.840 1.000 43.221  0 29  TYR   AAA CZ  1 ? 
ATOM   108  O  OH  . TYR   A 1 14  ? -8.761  -23.376 -15.663 1.000 42.984  0 29  TYR   AAA OH  1 ? 
ATOM   109  N  N   . MET   A 1 15  ? -6.235  -27.634 -11.771 1.000 37.102  0 30  MET   AAA N   1 ? 
ATOM   110  C  CA  . MET   A 1 15  ? -7.318  -28.121 -10.923 1.000 35.283  0 30  MET   AAA CA  1 ? 
ATOM   111  C  C   . MET   A 1 15  ? -6.788  -29.143 -9.923  1.000 36.399  0 30  MET   AAA C   1 ? 
ATOM   112  O  O   . MET   A 1 15  ? -6.029  -30.045 -10.292 1.000 37.978  0 30  MET   AAA O   1 ? 
ATOM   113  C  CB  . MET   A 1 15  ? -8.422  -28.766 -11.770 1.000 36.341  0 30  MET   AAA CB  1 ? 
ATOM   114  C  CG  . MET   A 1 15  ? -9.366  -27.744 -12.409 1.000 39.792  0 30  MET   AAA CG  1 ? 
ATOM   115  S  SD  . MET   A 1 15  ? -10.168 -26.647 -11.189 1.000 39.678  0 30  MET   AAA SD  1 ? 
ATOM   116  C  CE  . MET   A 1 15  ? -11.105 -27.798 -10.183 1.000 36.086  0 30  MET   AAA CE  1 ? 
ATOM   117  N  N   . ALA   A 1 16  ? -7.195  -28.979 -8.655  1.000 37.423  0 31  ALA   AAA N   1 ? 
ATOM   118  C  CA  . ALA   A 1 16  ? -6.845  -29.908 -7.591  1.000 36.902  0 31  ALA   AAA CA  1 ? 
ATOM   119  C  C   . ALA   A 1 16  ? -8.101  -30.567 -7.029  1.000 37.686  0 31  ALA   AAA C   1 ? 
ATOM   120  O  O   . ALA   A 1 16  ? -9.147  -29.928 -6.913  1.000 37.952  0 31  ALA   AAA O   1 ? 
ATOM   121  C  CB  . ALA   A 1 16  ? -6.084  -29.185 -6.511  1.000 42.126  0 31  ALA   AAA CB  1 ? 
ATOM   122  N  N   . TYR   A 1 17  ? -7.967  -31.854 -6.691  1.000 35.599  0 32  TYR   AAA N   1 ? 
ATOM   123  C  CA  . TYR   A 1 17  ? -8.995  -32.639 -6.032  1.000 36.683  0 32  TYR   AAA CA  1 ? 
ATOM   124  C  C   . TYR   A 1 17  ? -8.526  -32.906 -4.609  1.000 36.515  0 32  TYR   AAA C   1 ? 
ATOM   125  O  O   . TYR   A 1 17  ? -7.465  -33.491 -4.393  1.000 35.294  0 32  TYR   AAA O   1 ? 
ATOM   126  C  CB  . TYR   A 1 17  ? -9.290  -33.913 -6.832  1.000 37.723  0 32  TYR   AAA CB  1 ? 
ATOM   127  C  CG  . TYR   A 1 17  ? -10.263 -34.912 -6.237  1.000 40.447  0 32  TYR   AAA CG  1 ? 
ATOM   128  C  CD1 . TYR   A 1 17  ? -11.612 -34.879 -6.551  1.000 43.779  0 32  TYR   AAA CD1 1 ? 
ATOM   129  C  CD2 . TYR   A 1 17  ? -9.826  -35.968 -5.446  1.000 45.761  0 32  TYR   AAA CD2 1 ? 
ATOM   130  C  CE1 . TYR   A 1 17  ? -12.504 -35.809 -6.042  1.000 45.226  0 32  TYR   AAA CE1 1 ? 
ATOM   131  C  CE2 . TYR   A 1 17  ? -10.697 -36.919 -4.938  1.000 44.637  0 32  TYR   AAA CE2 1 ? 
ATOM   132  C  CZ  . TYR   A 1 17  ? -12.042 -36.845 -5.252  1.000 48.369  0 32  TYR   AAA CZ  1 ? 
ATOM   133  O  OH  . TYR   A 1 17  ? -12.934 -37.764 -4.757  1.000 49.574  0 32  TYR   AAA OH  1 ? 
ATOM   134  N  N   . LEU   A 1 18  ? -9.332  -32.451 -3.645  1.000 36.028  0 33  LEU   AAA N   1 ? 
ATOM   135  C  CA  . LEU   A 1 18  ? -8.977  -32.528 -2.242  1.000 36.202  0 33  LEU   AAA CA  1 ? 
ATOM   136  C  C   . LEU   A 1 18  ? -9.787  -33.634 -1.578  1.000 40.331  0 33  LEU   AAA C   1 ? 
ATOM   137  O  O   . LEU   A 1 18  ? -11.010 -33.642 -1.644  1.000 39.723  0 33  LEU   AAA O   1 ? 
ATOM   138  C  CB  . LEU   A 1 18  ? -9.278  -31.179 -1.584  1.000 35.252  0 33  LEU   AAA CB  1 ? 
ATOM   139  C  CG  . LEU   A 1 18  ? -8.206  -30.100 -1.734  1.000 36.225  0 33  LEU   AAA CG  1 ? 
ATOM   140  C  CD1 . LEU   A 1 18  ? -7.771  -29.914 -3.192  1.000 35.144  0 33  LEU   AAA CD1 1 ? 
ATOM   141  C  CD2 . LEU   A 1 18  ? -8.720  -28.788 -1.154  1.000 34.433  0 33  LEU   AAA CD2 1 ? 
ATOM   142  N  N   . GLU   A 1 19  ? -9.086  -34.537 -0.892  1.000 41.371  0 34  GLU   AAA N   1 ? 
ATOM   143  C  CA  . GLU   A 1 19  ? -9.790  -35.546 -0.061  1.000 43.939  0 34  GLU   AAA CA  1 ? 
ATOM   144  C  C   . GLU   A 1 19  ? -9.556  -35.105 1.385   1.000 40.550  0 34  GLU   AAA C   1 ? 
ATOM   145  O  O   . GLU   A 1 19  ? -8.409  -35.217 1.850   1.000 43.479  0 34  GLU   AAA O   1 ? 
ATOM   146  C  CB  . GLU   A 1 19  ? -9.262  -36.956 -0.312  1.000 47.893  0 34  GLU   AAA CB  1 ? 
ATOM   147  C  CG  . GLU   A 1 19  ? -9.750  -37.961 0.715   1.000 55.351  0 34  GLU   AAA CG  1 ? 
ATOM   148  C  CD  . GLU   A 1 19  ? -9.954  -39.366 0.178   1.000 62.431  0 34  GLU   AAA CD  1 ? 
ATOM   149  O  OE1 . GLU   A 1 19  ? -9.679  -39.585 -1.018  1.000 58.107  0 34  GLU   AAA OE1 1 ? 
ATOM   150  O  OE2 . GLU   A 1 19  ? -10.386 -40.237 0.956   1.000 66.300  0 34  GLU   AAA OE2 1 ? 
ATOM   151  N  N   . ILE   A 1 20  ? -10.583 -34.578 2.049   1.000 39.952  0 35  ILE   AAA N   1 ? 
ATOM   152  C  CA  . ILE   A 1 20  ? -10.386 -34.016 3.418   1.000 41.744  0 35  ILE   AAA CA  1 ? 
ATOM   153  C  C   . ILE   A 1 20  ? -10.732 -35.075 4.469   1.000 39.968  0 35  ILE   AAA C   1 ? 
ATOM   154  O  O   . ILE   A 1 20  ? -11.774 -35.738 4.323   1.000 40.413  0 35  ILE   AAA O   1 ? 
ATOM   155  C  CB  . ILE   A 1 20  ? -11.206 -32.723 3.595   1.000 43.345  0 35  ILE   AAA CB  1 ? 
ATOM   156  C  CG1 . ILE   A 1 20  ? -10.933 -31.729 2.464   1.000 40.905  0 35  ILE   AAA CG1 1 ? 
ATOM   157  C  CG2 . ILE   A 1 20  ? -10.958 -32.109 4.963   1.000 43.450  0 35  ILE   AAA CG2 1 ? 
ATOM   158  C  CD1 . ILE   A 1 20  ? -12.127 -31.463 1.579   1.000 42.452  0 35  ILE   AAA CD1 1 ? 
ATOM   159  N  N   . VAL   A 1 21  ? -9.885  -35.206 5.489   1.000 42.026  0 36  VAL   AAA N   1 ? 
ATOM   160  C  CA  . VAL   A 1 21  ? -10.099 -36.250 6.532   1.000 44.626  0 36  VAL   AAA CA  1 ? 
ATOM   161  C  C   . VAL   A 1 21  ? -10.510 -35.589 7.848   1.000 47.035  0 36  VAL   AAA C   1 ? 
ATOM   162  O  O   . VAL   A 1 21  ? -9.888  -34.576 8.216   1.000 47.503  0 36  VAL   AAA O   1 ? 
ATOM   163  C  CB  . VAL   A 1 21  ? -8.838  -37.115 6.720   1.000 48.401  0 36  VAL   AAA CB  1 ? 
ATOM   164  C  CG1 . VAL   A 1 21  ? -8.946  -38.016 7.940   1.000 51.667  0 36  VAL   AAA CG1 1 ? 
ATOM   165  C  CG2 . VAL   A 1 21  ? -8.520  -37.926 5.474   1.000 50.888  0 36  VAL   AAA CG2 1 ? 
ATOM   166  N  N   . THR   A 1 22  A -11.526 -36.139 8.513   1.000 47.550  0 36  THR   AAA N   1 ? 
ATOM   167  C  CA  . THR   A 1 22  A -11.939 -35.642 9.850   1.000 52.190  0 36  THR   AAA CA  1 ? 
ATOM   168  C  C   . THR   A 1 22  A -11.793 -36.809 10.826  1.000 55.186  0 36  THR   AAA C   1 ? 
ATOM   169  O  O   . THR   A 1 22  A -11.729 -37.954 10.333  1.000 59.186  0 36  THR   AAA O   1 ? 
ATOM   170  C  CB  . THR   A 1 22  A -13.370 -35.099 9.825   1.000 53.546  0 36  THR   AAA CB  1 ? 
ATOM   171  O  OG1 . THR   A 1 22  A -14.209 -36.080 9.214   1.000 55.728  0 36  THR   AAA OG1 1 ? 
ATOM   172  C  CG2 . THR   A 1 22  A -13.477 -33.792 9.075   1.000 54.278  0 36  THR   AAA CG2 1 ? 
ATOM   173  N  N   . SER   A 1 23  B -11.755 -36.535 12.135  1.000 60.736  0 36  SER   AAA N   1 ? 
ATOM   174  C  CA  . SER   A 1 23  B -11.533 -37.598 13.099  1.000 64.189  0 36  SER   AAA CA  1 ? 
ATOM   175  C  C   . SER   A 1 23  B -12.829 -38.341 13.443  1.000 66.824  0 36  SER   AAA C   1 ? 
ATOM   176  O  O   . SER   A 1 23  B -12.750 -39.475 13.919  1.000 66.345  0 36  SER   AAA O   1 ? 
ATOM   177  C  CB  . SER   A 1 23  B -10.826 -37.076 14.326  1.000 68.274  0 36  SER   AAA CB  1 ? 
ATOM   178  O  OG  . SER   A 1 23  B -9.417  -37.018 14.105  1.000 73.406  0 36  SER   AAA OG  1 ? 
ATOM   179  N  N   . ASN   A 1 24  C -14.000 -37.736 13.153  1.000 64.905  0 36  ASN   AAA N   1 ? 
ATOM   180  C  CA  . ASN   A 1 24  C -15.290 -38.267 13.586  1.000 70.074  0 36  ASN   AAA CA  1 ? 
ATOM   181  C  C   . ASN   A 1 24  C -16.238 -38.589 12.418  1.000 64.997  0 36  ASN   AAA C   1 ? 
ATOM   182  O  O   . ASN   A 1 24  C -17.299 -39.158 12.643  1.000 66.984  0 36  ASN   AAA O   1 ? 
ATOM   183  C  CB  . ASN   A 1 24  C -15.966 -37.296 14.558  1.000 72.335  0 36  ASN   AAA CB  1 ? 
ATOM   184  C  CG  . ASN   A 1 24  C -16.076 -35.895 13.986  1.000 75.038  0 36  ASN   AAA CG  1 ? 
ATOM   185  O  OD1 . ASN   A 1 24  C -15.538 -35.605 12.911  1.000 66.903  0 36  ASN   AAA OD1 1 ? 
ATOM   186  N  ND2 . ASN   A 1 24  C -16.752 -35.014 14.713  1.000 74.672  0 36  ASN   AAA ND2 1 ? 
ATOM   187  N  N   . GLY   A 1 25  ? -15.872 -38.266 11.172  1.000 58.847  0 37  GLY   AAA N   1 ? 
ATOM   188  C  CA  . GLY   A 1 25  ? -16.717 -38.565 10.023  1.000 56.738  0 37  GLY   AAA CA  1 ? 
ATOM   189  C  C   . GLY   A 1 25  ? -15.907 -39.094 8.837   1.000 54.001  0 37  GLY   AAA C   1 ? 
ATOM   190  O  O   . GLY   A 1 25  ? -14.686 -38.993 8.838   1.000 50.927  0 37  GLY   AAA O   1 ? 
ATOM   191  N  N   . PRO   A 1 26  ? -16.551 -39.663 7.785   1.000 55.586  0 38  PRO   AAA N   1 ? 
ATOM   192  C  CA  . PRO   A 1 26  ? -15.838 -40.160 6.603   1.000 54.983  0 38  PRO   AAA CA  1 ? 
ATOM   193  C  C   . PRO   A 1 26  ? -15.224 -39.031 5.785   1.000 47.429  0 38  PRO   AAA C   1 ? 
ATOM   194  O  O   . PRO   A 1 26  ? -15.419 -37.867 6.101   1.000 45.266  0 38  PRO   AAA O   1 ? 
ATOM   195  C  CB  . PRO   A 1 26  ? -16.921 -40.904 5.802   1.000 54.693  0 38  PRO   AAA CB  1 ? 
ATOM   196  C  CG  . PRO   A 1 26  ? -18.207 -40.210 6.212   1.000 54.217  0 38  PRO   AAA CG  1 ? 
ATOM   197  C  CD  . PRO   A 1 26  ? -18.001 -39.892 7.678   1.000 56.517  0 38  PRO   AAA CD  1 ? 
ATOM   198  N  N   . SER   A 1 27  ? -14.451 -39.406 4.763   1.000 46.658  0 39  SER   AAA N   1 ? 
ATOM   199  C  CA  . SER   A 1 27  ? -13.835 -38.454 3.861   1.000 46.621  0 39  SER   AAA CA  1 ? 
ATOM   200  C  C   . SER   A 1 27  ? -14.882 -37.496 3.293   1.000 47.929  0 39  SER   AAA C   1 ? 
ATOM   201  O  O   . SER   A 1 27  ? -16.010 -37.898 3.013   1.000 45.829  0 39  SER   AAA O   1 ? 
ATOM   202  C  CB  . SER   A 1 27  ? -13.074 -39.163 2.760   1.000 48.995  0 39  SER   AAA CB  1 ? 
ATOM   203  O  OG  . SER   A 1 27  ? -11.898 -39.810 3.257   1.000 54.364  0 39  SER   AAA OG  1 ? 
ATOM   204  N  N   . LYS   A 1 28  ? -14.470 -36.218 3.166   1.000 49.956  0 40  LYS   AAA N   1 ? 
ATOM   205  C  CA  . LYS   A 1 28  ? -15.152 -35.184 2.402   1.000 50.761  0 40  LYS   AAA CA  1 ? 
ATOM   206  C  C   . LYS   A 1 28  ? -14.263 -34.789 1.225   1.000 45.084  0 40  LYS   AAA C   1 ? 
ATOM   207  O  O   . LYS   A 1 28  ? -13.076 -35.097 1.183   1.000 44.113  0 40  LYS   AAA O   1 ? 
ATOM   208  C  CB  . LYS   A 1 28  ? -15.477 -33.947 3.255   1.000 55.707  0 40  LYS   AAA CB  1 ? 
ATOM   209  C  CG  . LYS   A 1 28  ? -16.608 -34.101 4.264   1.000 64.747  0 40  LYS   AAA CG  1 ? 
ATOM   210  C  CD  . LYS   A 1 28  ? -17.875 -34.761 3.684   1.000 86.731  0 40  LYS   AAA CD  1 ? 
ATOM   211  C  CE  . LYS   A 1 28  ? -18.981 -35.061 4.690   1.000 93.261  0 40  LYS   AAA CE  1 ? 
ATOM   212  N  NZ  . LYS   A 1 28  ? -19.716 -36.322 4.392   1.000 87.018  0 40  LYS   AAA NZ  1 ? 
ATOM   213  N  N   . PHE   A 1 29  ? -14.865 -34.121 0.248   1.000 42.350  0 41  PHE   AAA N   1 ? 
ATOM   214  C  CA  . PHE   A 1 29  ? -14.182 -33.803 -0.996  1.000 43.081  0 41  PHE   AAA CA  1 ? 
ATOM   215  C  C   . PHE   A 1 29  ? -14.472 -32.351 -1.356  1.000 40.702  0 41  PHE   AAA C   1 ? 
ATOM   216  O  O   . PHE   A 1 29  ? -15.570 -31.852 -1.094  1.000 42.652  0 41  PHE   AAA O   1 ? 
ATOM   217  C  CB  . PHE   A 1 29  ? -14.580 -34.843 -2.051  1.000 44.118  0 41  PHE   AAA CB  1 ? 
ATOM   218  C  CG  . PHE   A 1 29  ? -14.274 -36.264 -1.623  1.000 46.556  0 41  PHE   AAA CG  1 ? 
ATOM   219  C  CD1 . PHE   A 1 29  ? -13.044 -36.850 -1.896  1.000 47.629  0 41  PHE   AAA CD1 1 ? 
ATOM   220  C  CD2 . PHE   A 1 29  ? -15.195 -36.998 -0.877  1.000 47.919  0 41  PHE   AAA CD2 1 ? 
ATOM   221  C  CE1 . PHE   A 1 29  ? -12.751 -38.143 -1.470  1.000 48.327  0 41  PHE   AAA CE1 1 ? 
ATOM   222  C  CE2 . PHE   A 1 29  ? -14.907 -38.291 -0.454  1.000 46.945  0 41  PHE   AAA CE2 1 ? 
ATOM   223  C  CZ  . PHE   A 1 29  ? -13.679 -38.860 -0.747  1.000 47.972  0 41  PHE   AAA CZ  1 ? 
ATOM   224  N  N   . CYS   A 1 30  ? -13.435 -31.670 -1.868  1.000 41.360  0 42  CYS   AAA N   1 ? 
ATOM   225  C  CA  . CYS   A 1 30  ? -13.520 -30.316 -2.408  1.000 37.831  0 42  CYS   AAA CA  1 ? 
ATOM   226  C  C   . CYS   A 1 30  ? -12.644 -30.204 -3.657  1.000 34.467  0 42  CYS   AAA C   1 ? 
ATOM   227  O  O   . CYS   A 1 30  ? -11.852 -31.074 -3.978  1.000 38.397  0 42  CYS   AAA O   1 ? 
ATOM   228  C  CB  . CYS   A 1 30  ? -13.056 -29.245 -1.421  1.000 37.570  0 42  CYS   AAA CB  1 ? 
ATOM   229  S  SG  . CYS   A 1 30  ? -14.203 -28.884 -0.059  1.000 41.581  0 42  CYS   AAA SG  1 ? 
ATOM   230  N  N   . GLY   A 1 31  ? -12.826 -29.114 -4.384  1.000 34.952  0 43  GLY   AAA N   1 ? 
ATOM   231  C  CA  . GLY   A 1 31  ? -11.870 -28.644 -5.359  1.000 34.070  0 43  GLY   AAA CA  1 ? 
ATOM   232  C  C   . GLY   A 1 31  ? -10.922 -27.616 -4.751  1.000 34.457  0 43  GLY   AAA C   1 ? 
ATOM   233  O  O   . GLY   A 1 31  ? -11.005 -27.268 -3.570  1.000 36.352  0 43  GLY   AAA O   1 ? 
ATOM   234  N  N   . GLY   A 1 32  ? -10.016 -27.174 -5.613  1.000 35.399  0 44  GLY   AAA N   1 ? 
ATOM   235  C  CA  . GLY   A 1 32  ? -8.980  -26.196 -5.324  1.000 38.423  0 44  GLY   AAA CA  1 ? 
ATOM   236  C  C   . GLY   A 1 32  ? -8.143  -26.011 -6.584  1.000 35.023  0 44  GLY   AAA C   1 ? 
ATOM   237  O  O   . GLY   A 1 32  ? -8.439  -26.663 -7.594  1.000 34.404  0 44  GLY   AAA O   1 ? 
ATOM   238  N  N   . PHE   A 1 33  ? -7.092  -25.172 -6.521  1.000 34.201  0 45  PHE   AAA N   1 ? 
ATOM   239  C  CA  . PHE   A 1 33  ? -6.244  -24.975 -7.685  1.000 37.452  0 45  PHE   AAA CA  1 ? 
ATOM   240  C  C   . PHE   A 1 33  ? -4.813  -24.619 -7.276  1.000 39.131  0 45  PHE   AAA C   1 ? 
ATOM   241  O  O   . PHE   A 1 33  ? -4.586  -23.992 -6.236  1.000 38.049  0 45  PHE   AAA O   1 ? 
ATOM   242  C  CB  . PHE   A 1 33  ? -6.874  -23.969 -8.655  1.000 42.310  0 45  PHE   AAA CB  1 ? 
ATOM   243  C  CG  . PHE   A 1 33  ? -7.197  -22.609 -8.088  1.000 47.637  0 45  PHE   AAA CG  1 ? 
ATOM   244  C  CD1 . PHE   A 1 33  ? -8.271  -22.438 -7.222  1.000 52.998  0 45  PHE   AAA CD1 1 ? 
ATOM   245  C  CD2 . PHE   A 1 33  ? -6.442  -21.502 -8.437  1.000 47.743  0 45  PHE   AAA CD2 1 ? 
ATOM   246  C  CE1 . PHE   A 1 33  ? -8.579  -21.188 -6.718  1.000 52.856  0 45  PHE   AAA CE1 1 ? 
ATOM   247  C  CE2 . PHE   A 1 33  ? -6.743  -20.259 -7.913  1.000 48.566  0 45  PHE   AAA CE2 1 ? 
ATOM   248  C  CZ  . PHE   A 1 33  ? -7.805  -20.107 -7.060  1.000 48.111  0 45  PHE   AAA CZ  1 ? 
ATOM   249  N  N   . LEU   A 1 34  ? -3.854  -25.081 -8.098  1.000 37.297  0 46  LEU   AAA N   1 ? 
ATOM   250  C  CA  . LEU   A 1 34  ? -2.435  -24.888 -7.836  1.000 38.041  0 46  LEU   AAA CA  1 ? 
ATOM   251  C  C   . LEU   A 1 34  ? -2.044  -23.485 -8.287  1.000 39.855  0 46  LEU   AAA C   1 ? 
ATOM   252  O  O   . LEU   A 1 34  ? -2.227  -23.149 -9.462  1.000 35.904  0 46  LEU   AAA O   1 ? 
ATOM   253  C  CB  . LEU   A 1 34  ? -1.639  -25.951 -8.602  1.000 39.218  0 46  LEU   AAA CB  1 ? 
ATOM   254  C  CG  . LEU   A 1 34  ? -0.203  -26.141 -8.121  1.000 41.263  0 46  LEU   AAA CG  1 ? 
ATOM   255  C  CD1 . LEU   A 1 34  ? -0.180  -26.906 -6.792  1.000 40.089  0 46  LEU   AAA CD1 1 ? 
ATOM   256  C  CD2 . LEU   A 1 34  ? 0.654   -26.820 -9.184  1.000 42.800  0 46  LEU   AAA CD2 1 ? 
ATOM   257  N  N   . ILE   A 1 35  ? -1.588  -22.653 -7.334  1.000 41.139  0 47  ILE   AAA N   1 ? 
ATOM   258  C  CA  . ILE   A 1 35  ? -1.154  -21.297 -7.654  1.000 43.608  0 47  ILE   AAA CA  1 ? 
ATOM   259  C  C   . ILE   A 1 35  ? 0.369   -21.206 -7.621  1.000 42.405  0 47  ILE   AAA C   1 ? 
ATOM   260  O  O   . ILE   A 1 35  ? 0.939   -20.370 -8.318  1.000 46.890  0 47  ILE   AAA O   1 ? 
ATOM   261  C  CB  . ILE   A 1 35  ? -1.814  -20.214 -6.770  1.000 43.345  0 47  ILE   AAA CB  1 ? 
ATOM   262  C  CG1 . ILE   A 1 35  ? -1.630  -20.449 -5.269  1.000 39.707  0 47  ILE   AAA CG1 1 ? 
ATOM   263  C  CG2 . ILE   A 1 35  ? -3.278  -20.052 -7.141  1.000 45.984  0 47  ILE   AAA CG2 1 ? 
ATOM   264  C  CD1 . ILE   A 1 35  ? -1.720  -19.178 -4.457  1.000 42.663  0 47  ILE   AAA CD1 1 ? 
ATOM   265  N  N   . ARG   A 1 36  ? 1.008   -22.044 -6.795  1.000 43.239  0 48  ARG   AAA N   1 ? 
ATOM   266  C  CA  . ARG   A 1 36  ? 2.450   -22.241 -6.792  1.000 42.610  0 48  ARG   AAA CA  1 ? 
ATOM   267  C  C   . ARG   A 1 36  ? 2.714   -23.747 -6.804  1.000 40.186  0 48  ARG   AAA C   1 ? 
ATOM   268  O  O   . ARG   A 1 36  ? 1.836   -24.510 -6.434  1.000 35.939  0 48  ARG   AAA O   1 ? 
ATOM   269  C  CB  . ARG   A 1 36  ? 3.067   -21.648 -5.521  1.000 47.977  0 48  ARG   AAA CB  1 ? 
ATOM   270  C  CG  . ARG   A 1 36  ? 2.867   -20.151 -5.327  1.000 52.038  0 48  ARG   AAA CG  1 ? 
ATOM   271  C  CD  . ARG   A 1 36  ? 3.863   -19.343 -6.136  1.000 58.912  0 48  ARG   AAA CD  1 ? 
ATOM   272  N  NE  . ARG   A 1 36  ? 3.768   -17.885 -6.002  1.000 61.934  0 48  ARG   AAA NE  1 ? 
ATOM   273  C  CZ  . ARG   A 1 36  ? 2.916   -17.105 -6.666  1.000 59.686  0 48  ARG   AAA CZ  1 ? 
ATOM   274  N  NH1 . ARG   A 1 36  ? 1.928   -17.630 -7.363  1.000 57.736  0 48  ARG   AAA NH1 1 ? 
ATOM   275  N  NH2 . ARG   A 1 36  ? 3.037   -15.790 -6.610  1.000 64.013  0 48  ARG   AAA NH2 1 ? 
ATOM   276  N  N   . ARG   A 1 37  ? 3.934   -24.181 -7.128  1.000 38.160  0 49  ARG   AAA N   1 ? 
ATOM   277  C  CA  . ARG   A 1 37  ? 4.229   -25.609 -7.164  1.000 38.881  0 49  ARG   AAA CA  1 ? 
ATOM   278  C  C   . ARG   A 1 37  ? 3.942   -26.295 -5.826  1.000 38.278  0 49  ARG   AAA C   1 ? 
ATOM   279  O  O   . ARG   A 1 37  ? 3.544   -27.462 -5.812  1.000 37.981  0 49  ARG   AAA O   1 ? 
ATOM   280  C  CB  . ARG   A 1 37  ? 5.650   -25.855 -7.678  1.000 38.702  0 49  ARG   AAA CB  1 ? 
ATOM   281  C  CG  . ARG   A 1 37  ? 5.777   -25.522 -9.160  1.000 39.205  0 49  ARG   AAA CG  1 ? 
ATOM   282  C  CD  . ARG   A 1 37  ? 7.127   -25.771 -9.790  1.000 40.908  0 49  ARG   AAA CD  1 ? 
ATOM   283  N  NE  . ARG   A 1 37  ? 7.544   -27.164 -9.762  1.000 39.944  0 49  ARG   AAA NE  1 ? 
ATOM   284  C  CZ  . ARG   A 1 37  ? 8.727   -27.608 -10.158 1.000 40.876  0 49  ARG   AAA CZ  1 ? 
ATOM   285  N  NH1 . ARG   A 1 37  ? 9.641   -26.774 -10.610 1.000 44.345  0 49  ARG   AAA NH1 1 ? 
ATOM   286  N  NH2 . ARG   A 1 37  ? 9.009   -28.892 -10.074 1.000 44.424  0 49  ARG   AAA NH2 1 ? 
ATOM   287  N  N   . ASN   A 1 38  ? 4.101   -25.578 -4.707  1.000 36.375  0 50  ASN   AAA N   1 ? 
ATOM   288  C  CA  . ASN   A 1 38  ? 3.816   -26.154 -3.403  1.000 36.812  0 50  ASN   AAA CA  1 ? 
ATOM   289  C  C   . ASN   A 1 38  ? 2.648   -25.459 -2.688  1.000 38.381  0 50  ASN   AAA C   1 ? 
ATOM   290  O  O   . ASN   A 1 38  ? 2.593   -25.506 -1.457  1.000 38.697  0 50  ASN   AAA O   1 ? 
ATOM   291  C  CB  . ASN   A 1 38  ? 5.076   -26.154 -2.529  1.000 37.212  0 50  ASN   AAA CB  1 ? 
ATOM   292  C  CG  . ASN   A 1 38  ? 5.622   -24.773 -2.237  1.000 38.652  0 50  ASN   AAA CG  1 ? 
ATOM   293  O  OD1 . ASN   A 1 38  ? 5.224   -23.779 -2.853  1.000 37.447  0 50  ASN   AAA OD1 1 ? 
ATOM   294  N  ND2 . ASN   A 1 38  ? 6.597   -24.718 -1.344  1.000 42.642  0 50  ASN   AAA ND2 1 ? 
ATOM   295  N  N   . PHE   A 1 39  ? 1.723   -24.813 -3.426  1.000 38.134  0 51  PHE   AAA N   1 ? 
ATOM   296  C  CA  . PHE   A 1 39  ? 0.571   -24.169 -2.794  1.000 38.870  0 51  PHE   AAA CA  1 ? 
ATOM   297  C  C   . PHE   A 1 39  ? -0.697  -24.304 -3.635  1.000 39.771  0 51  PHE   AAA C   1 ? 
ATOM   298  O  O   . PHE   A 1 39  ? -0.708  -23.955 -4.819  1.000 36.304  0 51  PHE   AAA O   1 ? 
ATOM   299  C  CB  . PHE   A 1 39  ? 0.783   -22.678 -2.540  1.000 37.957  0 51  PHE   AAA CB  1 ? 
ATOM   300  C  CG  . PHE   A 1 39  ? 1.489   -22.336 -1.252  1.000 40.631  0 51  PHE   AAA CG  1 ? 
ATOM   301  C  CD1 . PHE   A 1 39  ? 0.783   -22.182 -0.069  1.000 41.429  0 51  PHE   AAA CD1 1 ? 
ATOM   302  C  CD2 . PHE   A 1 39  ? 2.856   -22.133 -1.227  1.000 40.100  0 51  PHE   AAA CD2 1 ? 
ATOM   303  C  CE1 . PHE   A 1 39  ? 1.432   -21.852 1.110   1.000 41.234  0 51  PHE   AAA CE1 1 ? 
ATOM   304  C  CE2 . PHE   A 1 39  ? 3.510   -21.836 -0.043  1.000 41.508  0 51  PHE   AAA CE2 1 ? 
ATOM   305  C  CZ  . PHE   A 1 39  ? 2.795   -21.682 1.119   1.000 43.408  0 51  PHE   AAA CZ  1 ? 
ATOM   306  N  N   . VAL   A 1 40  ? -1.769  -24.744 -2.953  1.000 37.849  0 52  VAL   AAA N   1 ? 
ATOM   307  C  CA  . VAL   A 1 40  ? -3.105  -24.877 -3.509  1.000 36.381  0 52  VAL   AAA CA  1 ? 
ATOM   308  C  C   . VAL   A 1 40  ? -4.031  -23.901 -2.787  1.000 36.854  0 52  VAL   AAA C   1 ? 
ATOM   309  O  O   . VAL   A 1 40  ? -3.982  -23.811 -1.562  1.000 36.539  0 52  VAL   AAA O   1 ? 
ATOM   310  C  CB  . VAL   A 1 40  ? -3.592  -26.334 -3.372  1.000 36.104  0 52  VAL   AAA CB  1 ? 
ATOM   311  C  CG1 . VAL   A 1 40  ? -5.100  -26.468 -3.505  1.000 34.099  0 52  VAL   AAA CG1 1 ? 
ATOM   312  C  CG2 . VAL   A 1 40  ? -2.872  -27.246 -4.366  1.000 37.218  0 52  VAL   AAA CG2 1 ? 
ATOM   313  N  N   . LEU   A 1 41  ? -4.865  -23.177 -3.559  1.000 38.107  0 53  LEU   AAA N   1 ? 
ATOM   314  C  CA  . LEU   A 1 41  ? -5.886  -22.282 -3.024  1.000 36.649  0 53  LEU   AAA CA  1 ? 
ATOM   315  C  C   . LEU   A 1 41  ? -7.232  -23.009 -3.008  1.000 37.915  0 53  LEU   AAA C   1 ? 
ATOM   316  O  O   . LEU   A 1 41  ? -7.582  -23.690 -3.966  1.000 36.462  0 53  LEU   AAA O   1 ? 
ATOM   317  C  CB  . LEU   A 1 41  ? -5.930  -21.041 -3.918  1.000 39.681  0 53  LEU   AAA CB  1 ? 
ATOM   318  C  CG  . LEU   A 1 41  ? -6.680  -19.823 -3.388  1.000 39.686  0 53  LEU   AAA CG  1 ? 
ATOM   319  C  CD1 . LEU   A 1 41  ? -6.232  -19.466 -1.976  1.000 40.742  0 53  LEU   AAA CD1 1 ? 
ATOM   320  C  CD2 . LEU   A 1 41  ? -6.466  -18.632 -4.316  1.000 39.636  0 53  LEU   AAA CD2 1 ? 
ATOM   321  N  N   . THR   A 1 42  ? -7.969  -22.900 -1.898  1.000 35.907  0 54  THR   AAA N   1 ? 
ATOM   322  C  CA  . THR   A 1 42  ? -9.272  -23.540 -1.783  1.000 37.778  0 54  THR   AAA CA  1 ? 
ATOM   323  C  C   . THR   A 1 42  ? -10.150 -22.694 -0.859  1.000 37.123  0 54  THR   AAA C   1 ? 
ATOM   324  O  O   . THR   A 1 42  ? -9.799  -21.575 -0.501  1.000 33.454  0 54  THR   AAA O   1 ? 
ATOM   325  C  CB  . THR   A 1 42  ? -9.124  -25.015 -1.356  1.000 35.104  0 54  THR   AAA CB  1 ? 
ATOM   326  O  OG1 . THR   A 1 42  ? -10.342 -25.729 -1.555  1.000 34.304  0 54  THR   AAA OG1 1 ? 
ATOM   327  C  CG2 . THR   A 1 42  ? -8.720  -25.189 0.098   1.000 36.854  0 54  THR   AAA CG2 1 ? 
ATOM   328  N  N   . ALA   A 1 43  ? -11.297 -23.258 -0.487  1.000 38.686  0 55  ALA   AAA N   1 ? 
ATOM   329  C  CA  . ALA   A 1 43  ? -12.201 -22.661 0.480   1.000 38.239  0 55  ALA   AAA CA  1 ? 
ATOM   330  C  C   . ALA   A 1 43  ? -11.809 -23.130 1.887   1.000 40.708  0 55  ALA   AAA C   1 ? 
ATOM   331  O  O   . ALA   A 1 43  ? -11.424 -24.285 2.067   1.000 37.220  0 55  ALA   AAA O   1 ? 
ATOM   332  C  CB  . ALA   A 1 43  ? -13.621 -23.054 0.119   1.000 38.634  0 55  ALA   AAA CB  1 ? 
ATOM   333  N  N   . ALA   A 1 44  ? -11.932 -22.230 2.876   1.000 39.434  0 56  ALA   AAA N   1 ? 
ATOM   334  C  CA  . ALA   A 1 44  ? -11.650 -22.520 4.276   1.000 41.650  0 56  ALA   AAA CA  1 ? 
ATOM   335  C  C   . ALA   A 1 44  ? -12.612 -23.559 4.866   1.000 41.879  0 56  ALA   AAA C   1 ? 
ATOM   336  O  O   . ALA   A 1 44  ? -12.220 -24.297 5.758   1.000 42.534  0 56  ALA   AAA O   1 ? 
ATOM   337  C  CB  . ALA   A 1 44  ? -11.687 -21.242 5.095   1.000 43.555  0 56  ALA   AAA CB  1 ? 
ATOM   338  N  N   . HIS   A 1 45  ? -13.874 -23.606 4.413   1.000 42.529  0 57  HIS   AAA N   1 ? 
ATOM   339  C  CA  . HIS   A 1 45  ? -14.803 -24.632 4.879   1.000 43.558  0 57  HIS   AAA CA  1 ? 
ATOM   340  C  C   . HIS   A 1 45  ? -14.358 -26.021 4.438   1.000 40.708  0 57  HIS   AAA C   1 ? 
ATOM   341  O  O   . HIS   A 1 45  ? -14.978 -26.992 4.858   1.000 42.034  0 57  HIS   AAA O   1 ? 
ATOM   342  C  CB  . HIS   A 1 45  ? -16.260 -24.354 4.470   1.000 42.668  0 57  HIS   AAA CB  1 ? 
ATOM   343  C  CG  . HIS   A 1 45  ? -16.576 -24.560 3.023   1.000 44.490  0 57  HIS   AAA CG  1 ? 
ATOM   344  N  ND1 . HIS   A 1 45  ? -16.667 -23.509 2.136   1.000 43.739  0 57  HIS   AAA ND1 1 ? 
ATOM   345  C  CD2 . HIS   A 1 45  ? -16.825 -25.664 2.307   1.000 49.398  0 57  HIS   AAA CD2 1 ? 
ATOM   346  C  CE1 . HIS   A 1 45  ? -16.959 -23.975 0.928   1.000 47.737  0 57  HIS   AAA CE1 1 ? 
ATOM   347  N  NE2 . HIS   A 1 45  ? -17.069 -25.279 1.008   1.000 47.308  0 57  HIS   AAA NE2 1 ? 
ATOM   348  N  N   . CYS   A 1 46  ? -13.316 -26.118 3.594   1.000 38.281  0 58  CYS   AAA N   1 ? 
ATOM   349  C  CA  . CYS   A 1 46  ? -12.747 -27.414 3.215   1.000 39.910  0 58  CYS   AAA CA  1 ? 
ATOM   350  C  C   . CYS   A 1 46  ? -11.614 -27.872 4.145   1.000 38.305  0 58  CYS   AAA C   1 ? 
ATOM   351  O  O   . CYS   A 1 46  ? -10.996 -28.905 3.891   1.000 37.918  0 58  CYS   AAA O   1 ? 
ATOM   352  C  CB  . CYS   A 1 46  ? -12.215 -27.414 1.782   1.000 39.931  0 58  CYS   AAA CB  1 ? 
ATOM   353  S  SG  . CYS   A 1 46  ? -13.478 -27.089 0.521   1.000 40.531  0 58  CYS   AAA SG  1 ? 
ATOM   354  N  N   . ALA   A 1 47  ? -11.350 -27.128 5.227   1.000 36.978  0 59  ALA   AAA N   1 ? 
ATOM   355  C  CA  . ALA   A 1 47  ? -10.342 -27.492 6.208   1.000 37.499  0 59  ALA   AAA CA  1 ? 
ATOM   356  C  C   . ALA   A 1 47  ? -10.711 -28.787 6.926   1.000 37.449  0 59  ALA   AAA C   1 ? 
ATOM   357  O  O   . ALA   A 1 47  ? -11.886 -29.094 7.098   1.000 41.247  0 59  ALA   AAA O   1 ? 
ATOM   358  C  CB  . ALA   A 1 47  ? -10.170 -26.388 7.211   1.000 39.005  0 59  ALA   AAA CB  1 ? 
ATOM   359  N  N   . GLY   A 1 48  ? -9.687  -29.508 7.387   1.000 36.349  0 60  GLY   AAA N   1 ? 
ATOM   360  C  CA  . GLY   A 1 48  ? -9.918  -30.750 8.149   1.000 38.518  0 60  GLY   AAA CA  1 ? 
ATOM   361  C  C   . GLY   A 1 48  ? -8.695  -31.142 8.958   1.000 38.952  0 60  GLY   AAA C   1 ? 
ATOM   362  O  O   . GLY   A 1 48  ? -7.755  -30.333 9.033   1.000 40.742  0 60  GLY   AAA O   1 ? 
ATOM   363  N  N   . ARG   A 1 49  ? -8.711  -32.335 9.556   1.000 40.855  0 61  ARG   AAA N   1 ? 
ATOM   364  C  CA  . ARG   A 1 49  ? -7.532  -32.837 10.310  1.000 42.545  0 61  ARG   AAA CA  1 ? 
ATOM   365  C  C   . ARG   A 1 49  ? -6.347  -32.967 9.344   1.000 42.684  0 61  ARG   AAA C   1 ? 
ATOM   366  O  O   . ARG   A 1 49  ? -5.242  -32.549 9.727   1.000 45.940  0 61  ARG   AAA O   1 ? 
ATOM   367  C  CB  . ARG   A 1 49  ? -7.889  -34.164 10.987  1.000 46.148  0 61  ARG   AAA CB  1 ? 
ATOM   368  C  CG  . ARG   A 1 49  ? -6.906  -34.614 12.056  1.000 51.325  0 61  ARG   AAA CG  1 ? 
ATOM   369  C  CD  . ARG   A 1 49  ? -6.533  -33.485 12.995  1.000 55.512  0 61  ARG   AAA CD  1 ? 
ATOM   370  N  NE  . ARG   A 1 49  ? -5.313  -33.786 13.728  1.000 58.562  0 61  ARG   AAA NE  1 ? 
ATOM   371  C  CZ  . ARG   A 1 49  ? -4.216  -34.297 13.182  1.000 60.326  0 61  ARG   AAA CZ  1 ? 
ATOM   372  N  NH1 . ARG   A 1 49  ? -3.800  -33.865 12.005  1.000 57.257  0 61  ARG   AAA NH1 1 ? 
ATOM   373  N  NH2 . ARG   A 1 49  ? -3.538  -35.237 13.818  1.000 58.660  0 61  ARG   AAA NH2 1 ? 
ATOM   374  N  N   . SER   A 1 50  ? -6.578  -33.500 8.138   1.000 40.297  0 63  SER   AAA N   1 ? 
ATOM   375  C  CA  . SER   A 1 50  ? -5.504  -33.656 7.118   1.000 39.839  0 63  SER   AAA CA  1 ? 
ATOM   376  C  C   . SER   A 1 50  ? -6.104  -33.649 5.704   1.000 41.339  0 63  SER   AAA C   1 ? 
ATOM   377  O  O   . SER   A 1 50  ? -7.275  -34.049 5.567   1.000 41.079  0 63  SER   AAA O   1 ? 
ATOM   378  C  CB  . SER   A 1 50  ? -4.704  -34.909 7.370   1.000 39.407  0 63  SER   AAA CB  1 ? 
ATOM   379  O  OG  . SER   A 1 50  ? -5.542  -36.053 7.356   1.000 43.750  0 63  SER   AAA OG  1 ? 
ATOM   380  N  N   . ILE   A 1 51  ? -5.331  -33.226 4.693   1.000 41.505  0 64  ILE   AAA N   1 ? 
ATOM   381  C  CA  . ILE   A 1 51  ? -5.849  -33.158 3.344   1.000 40.979  0 64  ILE   AAA CA  1 ? 
ATOM   382  C  C   . ILE   A 1 51  ? -4.836  -33.829 2.417   1.000 39.431  0 64  ILE   AAA C   1 ? 
ATOM   383  O  O   . ILE   A 1 51  ? -3.633  -33.629 2.541   1.000 35.704  0 64  ILE   AAA O   1 ? 
ATOM   384  C  CB  . ILE   A 1 51  ? -6.159  -31.698 2.940   1.000 41.142  0 64  ILE   AAA CB  1 ? 
ATOM   385  C  CG1 . ILE   A 1 51  ? -7.276  -31.097 3.805   1.000 42.668  0 64  ILE   AAA CG1 1 ? 
ATOM   386  C  CG2 . ILE   A 1 51  ? -6.489  -31.614 1.454   1.000 40.579  0 64  ILE   AAA CG2 1 ? 
ATOM   387  C  CD1 . ILE   A 1 51  ? -7.443  -29.591 3.697   1.000 40.802  0 64  ILE   AAA CD1 1 ? 
ATOM   388  N  N   . THR   A 1 52  ? -5.345  -34.626 1.476   1.000 39.086  0 65  THR   AAA N   1 ? 
ATOM   389  C  CA  . THR   A 1 52  ? -4.539  -35.074 0.354   1.000 40.081  0 65  THR   AAA CA  1 ? 
ATOM   390  C  C   . THR   A 1 52  ? -5.008  -34.351 -0.895  1.000 37.623  0 65  THR   AAA C   1 ? 
ATOM   391  O  O   . THR   A 1 52  ? -6.197  -34.261 -1.144  1.000 40.186  0 65  THR   AAA O   1 ? 
ATOM   392  C  CB  . THR   A 1 52  ? -4.621  -36.589 0.166   1.000 41.981  0 65  THR   AAA CB  1 ? 
ATOM   393  O  OG1 . THR   A 1 52  ? -4.310  -37.141 1.438   1.000 40.071  0 65  THR   AAA OG1 1 ? 
ATOM   394  C  CG2 . THR   A 1 52  ? -3.664  -37.103 -0.887  1.000 46.764  0 65  THR   AAA CG2 1 ? 
ATOM   395  N  N   . VAL   A 1 53  ? -4.054  -33.851 -1.671  1.000 38.963  0 66  VAL   AAA N   1 ? 
ATOM   396  C  CA  . VAL   A 1 53  ? -4.334  -33.195 -2.932  1.000 40.102  0 66  VAL   AAA CA  1 ? 
ATOM   397  C  C   . VAL   A 1 53  ? -3.961  -34.149 -4.061  1.000 41.431  0 66  VAL   AAA C   1 ? 
ATOM   398  O  O   . VAL   A 1 53  ? -2.859  -34.690 -4.055  1.000 40.710  0 66  VAL   AAA O   1 ? 
ATOM   399  C  CB  . VAL   A 1 53  ? -3.546  -31.877 -2.985  1.000 41.684  0 66  VAL   AAA CB  1 ? 
ATOM   400  C  CG1 . VAL   A 1 53  ? -3.450  -31.304 -4.384  1.000 42.713  0 66  VAL   AAA CG1 1 ? 
ATOM   401  C  CG2 . VAL   A 1 53  ? -4.148  -30.869 -2.012  1.000 41.587  0 66  VAL   AAA CG2 1 ? 
ATOM   402  N  N   . THR   A 1 54  ? -4.901  -34.394 -4.988  1.000 42.300  0 67  THR   AAA N   1 ? 
ATOM   403  C  CA  . THR   A 1 54  ? -4.594  -35.135 -6.211  1.000 39.168  0 67  THR   AAA CA  1 ? 
ATOM   404  C  C   . THR   A 1 54  ? -4.551  -34.112 -7.345  1.000 36.733  0 67  THR   AAA C   1 ? 
ATOM   405  O  O   . THR   A 1 54  ? -5.553  -33.455 -7.637  1.000 35.299  0 67  THR   AAA O   1 ? 
ATOM   406  C  CB  . THR   A 1 54  ? -5.537  -36.342 -6.419  1.000 35.352  0 67  THR   AAA CB  1 ? 
ATOM   407  O  OG1 . THR   A 1 54  ? -5.518  -37.185 -5.264  1.000 35.470  0 67  THR   AAA OG1 1 ? 
ATOM   408  C  CG2 . THR   A 1 54  ? -5.182  -37.206 -7.606  1.000 34.446  0 67  THR   AAA CG2 1 ? 
ATOM   409  N  N   . LEU   A 1 55  ? -3.359  -33.938 -7.930  1.000 33.909  0 68  LEU   AAA N   1 ? 
ATOM   410  C  CA  . LEU   A 1 55  ? -3.193  -33.160 -9.143  1.000 35.725  0 68  LEU   AAA CA  1 ? 
ATOM   411  C  C   . LEU   A 1 55  ? -3.153  -34.109 -10.341 1.000 35.957  0 68  LEU   AAA C   1 ? 
ATOM   412  O  O   . LEU   A 1 55  ? -2.732  -35.252 -10.219 1.000 38.031  0 68  LEU   AAA O   1 ? 
ATOM   413  C  CB  . LEU   A 1 55  ? -1.898  -32.334 -9.061  1.000 38.634  0 68  LEU   AAA CB  1 ? 
ATOM   414  C  CG  . LEU   A 1 55  ? -1.749  -31.403 -7.852  1.000 41.026  0 68  LEU   AAA CG  1 ? 
ATOM   415  C  CD1 . LEU   A 1 55  ? -0.377  -30.744 -7.816  1.000 41.439  0 68  LEU   AAA CD1 1 ? 
ATOM   416  C  CD2 . LEU   A 1 55  ? -2.829  -30.337 -7.860  1.000 41.623  0 68  LEU   AAA CD2 1 ? 
ATOM   417  N  N   . GLY   A 1 56  ? -3.586  -33.607 -11.503 1.000 40.494  0 69  GLY   AAA N   1 ? 
ATOM   418  C  CA  . GLY   A 1 56  ? -3.397  -34.287 -12.772 1.000 38.986  0 69  GLY   AAA CA  1 ? 
ATOM   419  C  C   . GLY   A 1 56  ? -4.531  -35.255 -13.074 1.000 38.276  0 69  GLY   AAA C   1 ? 
ATOM   420  O  O   . GLY   A 1 56  ? -4.405  -36.083 -13.979 1.000 39.707  0 69  GLY   AAA O   1 ? 
ATOM   421  N  N   . ALA   A 1 57  ? -5.643  -35.103 -12.350 1.000 37.857  0 70  ALA   AAA N   1 ? 
ATOM   422  C  CA  . ALA   A 1 57  ? -6.785  -35.995 -12.489 1.000 40.489  0 70  ALA   AAA CA  1 ? 
ATOM   423  C  C   . ALA   A 1 57  ? -7.785  -35.465 -13.515 1.000 41.455  0 70  ALA   AAA C   1 ? 
ATOM   424  O  O   . ALA   A 1 57  ? -7.960  -34.252 -13.658 1.000 37.755  0 70  ALA   AAA O   1 ? 
ATOM   425  C  CB  . ALA   A 1 57  ? -7.463  -36.195 -11.154 1.000 40.944  0 70  ALA   AAA CB  1 ? 
ATOM   426  N  N   . HIS   A 1 58  ? -8.434  -36.427 -14.201 1.000 41.945  0 71  HIS   AAA N   1 ? 
ATOM   427  C  CA  . HIS   A 1 58  ? -9.691  -36.240 -14.911 1.000 41.147  0 71  HIS   AAA CA  1 ? 
ATOM   428  C  C   . HIS   A 1 58  ? -10.758 -37.197 -14.356 1.000 41.387  0 71  HIS   AAA C   1 ? 
ATOM   429  O  O   . HIS   A 1 58  ? -11.627 -36.787 -13.583 1.000 42.803  0 71  HIS   AAA O   1 ? 
ATOM   430  C  CB  . HIS   A 1 58  ? -9.463  -36.419 -16.411 1.000 41.544  0 71  HIS   AAA CB  1 ? 
ATOM   431  C  CG  . HIS   A 1 58  ? -10.693 -36.221 -17.192 1.000 43.955  0 71  HIS   AAA CG  1 ? 
ATOM   432  N  ND1 . HIS   A 1 58  ? -11.342 -35.004 -17.165 1.000 43.682  0 71  HIS   AAA ND1 1 ? 
ATOM   433  C  CD2 . HIS   A 1 58  ? -11.380 -37.025 -18.012 1.000 45.053  0 71  HIS   AAA CD2 1 ? 
ATOM   434  C  CE1 . HIS   A 1 58  ? -12.408 -35.086 -17.951 1.000 47.690  0 71  HIS   AAA CE1 1 ? 
ATOM   435  N  NE2 . HIS   A 1 58  ? -12.446 -36.303 -18.483 1.000 47.785  0 71  HIS   AAA NE2 1 ? 
ATOM   436  N  N   . ASN   A 1 59  ? -10.703 -38.476 -14.754 1.000 42.971  0 72  ASN   AAA N   1 ? 
ATOM   437  C  CA  . ASN   A 1 59  ? -11.464 -39.532 -14.104 1.000 41.821  0 72  ASN   AAA CA  1 ? 
ATOM   438  C  C   . ASN   A 1 59  ? -10.774 -39.864 -12.778 1.000 41.768  0 72  ASN   AAA C   1 ? 
ATOM   439  O  O   . ASN   A 1 59  ? -9.745  -40.529 -12.740 1.000 43.318  0 72  ASN   AAA O   1 ? 
ATOM   440  C  CB  . ASN   A 1 59  ? -11.673 -40.731 -15.038 1.000 45.613  0 72  ASN   AAA CB  1 ? 
ATOM   441  C  CG  . ASN   A 1 59  ? -12.644 -41.765 -14.493 1.000 47.161  0 72  ASN   AAA CG  1 ? 
ATOM   442  O  OD1 . ASN   A 1 59  ? -12.897 -41.807 -13.291 1.000 46.248  0 72  ASN   AAA OD1 1 ? 
ATOM   443  N  ND2 . ASN   A 1 59  ? -13.185 -42.604 -15.362 1.000 51.614  0 72  ASN   AAA ND2 1 ? 
ATOM   444  N  N   . ILE   A 1 60  ? -11.359 -39.392 -11.674 1.000 41.987  0 73  ILE   AAA N   1 ? 
ATOM   445  C  CA  . ILE   A 1 60  ? -10.740 -39.485 -10.364 1.000 42.442  0 73  ILE   AAA CA  1 ? 
ATOM   446  C  C   . ILE   A 1 60  ? -10.818 -40.908 -9.819  1.000 41.918  0 73  ILE   AAA C   1 ? 
ATOM   447  O  O   . ILE   A 1 60  ? -10.229 -41.164 -8.778  1.000 40.557  0 73  ILE   AAA O   1 ? 
ATOM   448  C  CB  . ILE   A 1 60  ? -11.389 -38.463 -9.403  1.000 47.772  0 73  ILE   AAA CB  1 ? 
ATOM   449  C  CG1 . ILE   A 1 60  ? -10.504 -38.167 -8.186  1.000 49.298  0 73  ILE   AAA CG1 1 ? 
ATOM   450  C  CG2 . ILE   A 1 60  ? -12.795 -38.905 -8.986  1.000 46.845  0 73  ILE   AAA CG2 1 ? 
ATOM   451  C  CD1 . ILE   A 1 60  ? -9.125  -37.661 -8.509  1.000 48.053  0 73  ILE   AAA CD1 1 ? 
ATOM   452  N  N   . THR   A 1 61  ? -11.525 -41.828 -10.506 1.000 44.900  0 74  THR   AAA N   1 ? 
ATOM   453  C  CA  . THR   A 1 61  ? -11.596 -43.218 -10.061 1.000 48.966  0 74  THR   AAA CA  1 ? 
ATOM   454  C  C   . THR   A 1 61  ? -10.584 -44.130 -10.763 1.000 51.490  0 74  THR   AAA C   1 ? 
ATOM   455  O  O   . THR   A 1 61  ? -10.467 -45.274 -10.350 1.000 52.035  0 74  THR   AAA O   1 ? 
ATOM   456  C  CB  . THR   A 1 61  ? -12.984 -43.855 -10.263 1.000 51.983  0 74  THR   AAA CB  1 ? 
ATOM   457  O  OG1 . THR   A 1 61  ? -13.166 -44.137 -11.655 1.000 49.882  0 74  THR   AAA OG1 1 ? 
ATOM   458  C  CG2 . THR   A 1 61  ? -14.122 -43.003 -9.734  1.000 53.267  0 74  THR   AAA CG2 1 ? 
ATOM   459  N  N   . GLU   A 1 62  ? -9.878  -43.648 -11.810 1.000 56.709  0 75  GLU   AAA N   1 ? 
ATOM   460  C  CA  . GLU   A 1 62  ? -8.959  -44.441 -12.635 1.000 55.486  0 75  GLU   AAA CA  1 ? 
ATOM   461  C  C   . GLU   A 1 62  ? -7.576  -43.797 -12.480 1.000 52.127  0 75  GLU   AAA C   1 ? 
ATOM   462  O  O   . GLU   A 1 62  ? -7.311  -42.730 -13.048 1.000 45.363  0 75  GLU   AAA O   1 ? 
ATOM   463  C  CB  . GLU   A 1 62  ? -9.553  -44.538 -14.062 1.000 61.473  0 75  GLU   AAA CB  1 ? 
ATOM   464  C  CG  . GLU   A 1 62  ? -8.645  -45.026 -15.213 1.000 68.619  0 75  GLU   AAA CG  1 ? 
ATOM   465  C  CD  . GLU   A 1 62  ? -9.254  -45.156 -16.626 1.000 72.659  0 75  GLU   AAA CD  1 ? 
ATOM   466  O  OE1 . GLU   A 1 62  ? -9.079  -46.227 -17.253 1.000 72.885  0 75  GLU   AAA OE1 1 ? 
ATOM   467  O  OE2 . GLU   A 1 62  ? -9.888  -44.198 -17.134 1.000 73.533  0 75  GLU   AAA OE2 1 ? 
ATOM   468  N  N   . GLU   A 1 63  ? -6.718  -44.415 -11.644 1.000 50.956  0 77  GLU   AAA N   1 ? 
ATOM   469  C  CA  . GLU   A 1 63  ? -5.358  -43.935 -11.439 1.000 51.835  0 77  GLU   AAA CA  1 ? 
ATOM   470  C  C   . GLU   A 1 63  ? -4.586  -43.976 -12.760 1.000 47.450  0 77  GLU   AAA C   1 ? 
ATOM   471  O  O   . GLU   A 1 63  ? -4.788  -44.877 -13.583 1.000 48.619  0 77  GLU   AAA O   1 ? 
ATOM   472  C  CB  . GLU   A 1 63  ? -4.605  -44.700 -10.347 1.000 56.107  0 77  GLU   AAA CB  1 ? 
ATOM   473  C  CG  . GLU   A 1 63  ? -3.274  -44.040 -10.002 1.000 62.773  0 77  GLU   AAA CG  1 ? 
ATOM   474  C  CD  . GLU   A 1 63  ? -2.434  -44.695 -8.915  1.000 69.898  0 77  GLU   AAA CD  1 ? 
ATOM   475  O  OE1 . GLU   A 1 63  ? -2.387  -45.942 -8.897  1.000 72.646  0 77  GLU   AAA OE1 1 ? 
ATOM   476  O  OE2 . GLU   A 1 63  ? -1.779  -43.956 -8.124  1.000 71.098  0 77  GLU   AAA OE2 1 ? 
ATOM   477  N  N   . GLU   A 1 64  ? -3.760  -42.932 -12.969 1.000 44.342  0 78  GLU   AAA N   1 ? 
ATOM   478  C  CA  . GLU   A 1 64  ? -3.011  -42.738 -14.202 1.000 44.329  0 78  GLU   AAA CA  1 ? 
ATOM   479  C  C   . GLU   A 1 64  ? -1.680  -42.047 -13.893 1.000 42.368  0 78  GLU   AAA C   1 ? 
ATOM   480  O  O   . GLU   A 1 64  ? -1.471  -41.536 -12.797 1.000 41.523  0 78  GLU   AAA O   1 ? 
ATOM   481  C  CB  . GLU   A 1 64  ? -3.849  -41.991 -15.251 1.000 43.724  0 78  GLU   AAA CB  1 ? 
ATOM   482  C  CG  . GLU   A 1 64  ? -4.399  -40.642 -14.839 1.000 41.087  0 78  GLU   AAA CG  1 ? 
ATOM   483  C  CD  . GLU   A 1 64  ? -5.082  -39.886 -15.977 1.000 42.387  0 78  GLU   AAA CD  1 ? 
ATOM   484  O  OE1 . GLU   A 1 64  ? -6.105  -39.176 -15.752 1.000 39.170  0 78  GLU   AAA OE1 1 ? 
ATOM   485  O  OE2 . GLU   A 1 64  ? -4.590  -39.998 -17.104 1.000 42.555  0 78  GLU   AAA OE2 1 ? 
ATOM   486  N  N   . ASP   A 1 65  ? -0.761  -42.075 -14.864 1.000 42.837  0 79  ASP   AAA N   1 ? 
ATOM   487  C  CA  . ASP   A 1 65  ? 0.579   -41.561 -14.643 1.000 43.147  0 79  ASP   AAA CA  1 ? 
ATOM   488  C  C   . ASP   A 1 65  ? 0.574   -40.050 -14.440 1.000 39.694  0 79  ASP   AAA C   1 ? 
ATOM   489  O  O   . ASP   A 1 65  ? 1.498   -39.544 -13.839 1.000 39.694  0 79  ASP   AAA O   1 ? 
ATOM   490  C  CB  . ASP   A 1 65  ? 1.518   -41.902 -15.790 1.000 44.429  0 79  ASP   AAA CB  1 ? 
ATOM   491  C  CG  . ASP   A 1 65  ? 2.028   -43.320 -15.729 1.000 46.574  0 79  ASP   AAA CG  1 ? 
ATOM   492  O  OD1 . ASP   A 1 65  ? 1.884   -43.952 -14.649 1.000 45.805  0 79  ASP   AAA OD1 1 ? 
ATOM   493  O  OD2 . ASP   A 1 65  ? 2.541   -43.778 -16.774 1.000 48.761  0 79  ASP   AAA OD2 1 ? 
ATOM   494  N  N   . THR   A 1 66  A -0.453  -39.352 -14.939 1.000 41.623  0 79  THR   AAA N   1 ? 
ATOM   495  C  CA  . THR   A 1 66  A -0.572  -37.914 -14.756 1.000 41.221  0 79  THR   AAA CA  1 ? 
ATOM   496  C  C   . THR   A 1 66  A -0.752  -37.569 -13.279 1.000 42.066  0 79  THR   AAA C   1 ? 
ATOM   497  O  O   . THR   A 1 66  A -0.450  -36.445 -12.871 1.000 42.002  0 79  THR   AAA O   1 ? 
ATOM   498  C  CB  . THR   A 1 66  A -1.699  -37.312 -15.609 1.000 40.565  0 79  THR   AAA CB  1 ? 
ATOM   499  O  OG1 . THR   A 1 66  A -2.960  -37.893 -15.271 1.000 39.950  0 79  THR   AAA OG1 1 ? 
ATOM   500  C  CG2 . THR   A 1 66  A -1.447  -37.472 -17.095 1.000 42.152  0 79  THR   AAA CG2 1 ? 
ATOM   501  N  N   . TRP   A 1 67  ? -1.227  -38.529 -12.478 1.000 39.789  0 80  TRP   AAA N   1 ? 
ATOM   502  C  CA  . TRP   A 1 67  ? -1.580  -38.229 -11.098 1.000 40.305  0 80  TRP   AAA CA  1 ? 
ATOM   503  C  C   . TRP   A 1 67  ? -0.353  -37.874 -10.271 1.000 36.928  0 80  TRP   AAA C   1 ? 
ATOM   504  O  O   . TRP   A 1 67  ? 0.692   -38.503 -10.359 1.000 35.212  0 80  TRP   AAA O   1 ? 
ATOM   505  C  CB  . TRP   A 1 67  ? -2.327  -39.382 -10.409 1.000 40.850  0 80  TRP   AAA CB  1 ? 
ATOM   506  C  CG  . TRP   A 1 67  ? -3.758  -39.564 -10.801 1.000 41.126  0 80  TRP   AAA CG  1 ? 
ATOM   507  C  CD1 . TRP   A 1 67  ? -4.405  -39.063 -11.898 1.000 42.842  0 80  TRP   AAA CD1 1 ? 
ATOM   508  C  CD2 . TRP   A 1 67  ? -4.737  -40.310 -10.062 1.000 43.653  0 80  TRP   AAA CD2 1 ? 
ATOM   509  N  NE1 . TRP   A 1 67  ? -5.716  -39.452 -11.898 1.000 41.726  0 80  TRP   AAA NE1 1 ? 
ATOM   510  C  CE2 . TRP   A 1 67  ? -5.944  -40.225 -10.784 1.000 43.168  0 80  TRP   AAA CE2 1 ? 
ATOM   511  C  CE3 . TRP   A 1 67  ? -4.703  -41.047 -8.873  1.000 43.971  0 80  TRP   AAA CE3 1 ? 
ATOM   512  C  CZ2 . TRP   A 1 67  ? -7.100  -40.872 -10.351 1.000 44.003  0 80  TRP   AAA CZ2 1 ? 
ATOM   513  C  CZ3 . TRP   A 1 67  ? -5.846  -41.682 -8.452  1.000 45.045  0 80  TRP   AAA CZ3 1 ? 
ATOM   514  C  CH2 . TRP   A 1 67  ? -7.028  -41.589 -9.181  1.000 42.766  0 80  TRP   AAA CH2 1 ? 
ATOM   515  N  N   . GLN   A 1 68  ? -0.565  -36.908 -9.385  1.000 38.447  0 81  GLN   AAA N   1 ? 
ATOM   516  C  CA  . GLN   A 1 68  ? 0.362   -36.596 -8.319  1.000 37.370  0 81  GLN   AAA CA  1 ? 
ATOM   517  C  C   . GLN   A 1 68  ? -0.463  -36.462 -7.048  1.000 39.231  0 81  GLN   AAA C   1 ? 
ATOM   518  O  O   . GLN   A 1 68  ? -1.207  -35.501 -6.906  1.000 40.744  0 81  GLN   AAA O   1 ? 
ATOM   519  C  CB  . GLN   A 1 68  ? 1.116   -35.304 -8.622  1.000 37.144  0 81  GLN   AAA CB  1 ? 
ATOM   520  C  CG  . GLN   A 1 68  ? 2.062   -35.404 -9.815  1.000 36.799  0 81  GLN   AAA CG  1 ? 
ATOM   521  C  CD  . GLN   A 1 68  ? 2.816   -34.107 -10.031 1.000 38.441  0 81  GLN   AAA CD  1 ? 
ATOM   522  O  OE1 . GLN   A 1 68  ? 3.450   -33.566 -9.126  1.000 38.728  0 81  GLN   AAA OE1 1 ? 
ATOM   523  N  NE2 . GLN   A 1 68  ? 2.755   -33.586 -11.244 1.000 38.615  0 81  GLN   AAA NE2 1 ? 
ATOM   524  N  N   . LYS   A 1 69  ? -0.401  -37.479 -6.190  1.000 38.465  0 82  LYS   AAA N   1 ? 
ATOM   525  C  CA  . LYS   A 1 69  ? -1.075  -37.428 -4.904  1.000 44.503  0 82  LYS   AAA CA  1 ? 
ATOM   526  C  C   . LYS   A 1 69  ? -0.123  -36.799 -3.891  1.000 40.615  0 82  LYS   AAA C   1 ? 
ATOM   527  O  O   . LYS   A 1 69  ? 0.882   -37.399 -3.540  1.000 45.061  0 82  LYS   AAA O   1 ? 
ATOM   528  C  CB  . LYS   A 1 69  ? -1.536  -38.826 -4.483  1.000 45.042  0 82  LYS   AAA CB  1 ? 
ATOM   529  C  CG  . LYS   A 1 69  ? -2.507  -39.485 -5.448  1.000 56.123  0 82  LYS   AAA CG  1 ? 
ATOM   530  C  CD  . LYS   A 1 69  ? -3.194  -40.730 -4.893  1.000 69.158  0 82  LYS   AAA CD  1 ? 
ATOM   531  C  CE  . LYS   A 1 69  ? -4.354  -40.415 -3.962  1.000 78.628  0 82  LYS   AAA CE  1 ? 
ATOM   532  N  NZ  . LYS   A 1 69  ? -5.076  -41.643 -3.535  1.000 84.213  0 82  LYS   AAA NZ  1 ? 
ATOM   533  N  N   . LEU   A 1 70  ? -0.419  -35.579 -3.456  1.000 40.310  0 83  LEU   AAA N   1 ? 
ATOM   534  C  CA  . LEU   A 1 70  ? 0.540   -34.820 -2.679  1.000 40.431  0 83  LEU   AAA CA  1 ? 
ATOM   535  C  C   . LEU   A 1 70  ? -0.028  -34.568 -1.291  1.000 40.152  0 83  LEU   AAA C   1 ? 
ATOM   536  O  O   . LEU   A 1 70  ? -1.191  -34.212 -1.100  1.000 39.960  0 83  LEU   AAA O   1 ? 
ATOM   537  C  CB  . LEU   A 1 70  ? 0.901   -33.528 -3.422  1.000 42.668  0 83  LEU   AAA CB  1 ? 
ATOM   538  C  CG  . LEU   A 1 70  ? 1.707   -33.728 -4.705  1.000 44.558  0 83  LEU   AAA CG  1 ? 
ATOM   539  C  CD1 . LEU   A 1 70  ? 1.949   -32.412 -5.418  1.000 46.661  0 83  LEU   AAA CD1 1 ? 
ATOM   540  C  CD2 . LEU   A 1 70  ? 3.035   -34.407 -4.409  1.000 50.156  0 83  LEU   AAA CD2 1 ? 
ATOM   541  N  N   . GLU   A 1 71  ? 0.845   -34.842 -0.335  1.000 41.997  0 84  GLU   AAA N   1 ? 
ATOM   542  C  CA  . GLU   A 1 71  ? 0.625   -34.585 1.066   1.000 41.008  0 84  GLU   AAA CA  1 ? 
ATOM   543  C  C   . GLU   A 1 71  ? 0.573   -33.081 1.285   1.000 41.076  0 84  GLU   AAA C   1 ? 
ATOM   544  O  O   . GLU   A 1 71  ? 1.325   -32.335 0.648   1.000 38.828  0 84  GLU   AAA O   1 ? 
ATOM   545  C  CB  . GLU   A 1 71  ? 1.787   -35.186 1.843   1.000 41.147  0 84  GLU   AAA CB  1 ? 
ATOM   546  C  CG  . GLU   A 1 71  ? 1.773   -34.810 3.298   1.000 43.884  0 84  GLU   AAA CG  1 ? 
ATOM   547  C  CD  . GLU   A 1 71  ? 3.020   -35.253 4.026   1.000 47.150  0 84  GLU   AAA CD  1 ? 
ATOM   548  O  OE1 . GLU   A 1 71  ? 3.784   -36.133 3.510   1.000 44.892  0 84  GLU   AAA OE1 1 ? 
ATOM   549  O  OE2 . GLU   A 1 71  ? 3.229   -34.695 5.101   1.000 51.696  0 84  GLU   AAA OE2 1 ? 
ATOM   550  N  N   . VAL   A 1 72  ? -0.296  -32.675 2.216   1.000 40.526  0 85  VAL   AAA N   1 ? 
ATOM   551  C  CA  . VAL   A 1 72  ? -0.392  -31.302 2.682   1.000 41.555  0 85  VAL   AAA CA  1 ? 
ATOM   552  C  C   . VAL   A 1 72  ? 0.234   -31.209 4.071   1.000 42.389  0 85  VAL   AAA C   1 ? 
ATOM   553  O  O   . VAL   A 1 72  ? -0.172  -31.927 4.983   1.000 40.271  0 85  VAL   AAA O   1 ? 
ATOM   554  C  CB  . VAL   A 1 72  ? -1.860  -30.833 2.716   1.000 42.829  0 85  VAL   AAA CB  1 ? 
ATOM   555  C  CG1 . VAL   A 1 72  ? -2.012  -29.526 3.494   1.000 42.650  0 85  VAL   AAA CG1 1 ? 
ATOM   556  C  CG2 . VAL   A 1 72  ? -2.447  -30.741 1.303   1.000 38.939  0 85  VAL   AAA CG2 1 ? 
ATOM   557  N  N   . ILE   A 1 73  ? 1.193   -30.296 4.247   1.000 43.553  0 86  ILE   AAA N   1 ? 
ATOM   558  C  CA  . ILE   A 1 73  ? 1.859   -30.227 5.534   1.000 43.532  0 86  ILE   AAA CA  1 ? 
ATOM   559  C  C   . ILE   A 1 73  ? 1.212   -29.213 6.453   1.000 40.960  0 86  ILE   AAA C   1 ? 
ATOM   560  O  O   . ILE   A 1 73  ? 1.310   -29.394 7.654   1.000 41.881  0 86  ILE   AAA O   1 ? 
ATOM   561  C  CB  . ILE   A 1 73  ? 3.367   -29.988 5.406   1.000 46.856  0 86  ILE   AAA CB  1 ? 
ATOM   562  C  CG1 . ILE   A 1 73  ? 3.723   -28.692 4.678   1.000 47.000  0 86  ILE   AAA CG1 1 ? 
ATOM   563  C  CG2 . ILE   A 1 73  ? 3.994   -31.201 4.753   1.000 50.130  0 86  ILE   AAA CG2 1 ? 
ATOM   564  C  CD1 . ILE   A 1 73  ? 5.192   -28.354 4.815   1.000 50.927  0 86  ILE   AAA CD1 1 ? 
ATOM   565  N  N   . LYS   A 1 74  ? 0.570   -28.181 5.904   1.000 45.366  0 87  LYS   AAA N   1 ? 
ATOM   566  C  CA  . LYS   A 1 74  ? -0.092  -27.179 6.731   1.000 50.485  0 87  LYS   AAA CA  1 ? 
ATOM   567  C  C   . LYS   A 1 74  ? -1.251  -26.517 5.973   1.000 45.563  0 87  LYS   AAA C   1 ? 
ATOM   568  O  O   . LYS   A 1 74  ? -1.234  -26.367 4.753   1.000 42.545  0 87  LYS   AAA O   1 ? 
ATOM   569  C  CB  . LYS   A 1 74  ? 0.930   -26.155 7.234   1.000 60.689  0 87  LYS   AAA CB  1 ? 
ATOM   570  C  CG  . LYS   A 1 74  ? 0.529   -25.433 8.519   1.000 72.140  0 87  LYS   AAA CG  1 ? 
ATOM   571  C  CD  . LYS   A 1 74  ? 1.602   -24.495 9.068   1.000 79.165  0 87  LYS   AAA CD  1 ? 
ATOM   572  C  CE  . LYS   A 1 74  ? 1.105   -23.492 10.094  1.000 78.467  0 87  LYS   AAA CE  1 ? 
ATOM   573  N  NZ  . LYS   A 1 74  ? 2.239   -22.771 10.728  1.000 78.881  0 87  LYS   AAA NZ  1 ? 
ATOM   574  N  N   . GLN   A 1 75  ? -2.295  -26.174 6.732   1.000 42.808  0 88  GLN   AAA N   1 ? 
ATOM   575  C  CA  . GLN   A 1 75  ? -3.496  -25.527 6.230   1.000 40.634  0 88  GLN   AAA CA  1 ? 
ATOM   576  C  C   . GLN   A 1 75  ? -3.523  -24.087 6.734   1.000 40.694  0 88  GLN   AAA C   1 ? 
ATOM   577  O  O   . GLN   A 1 75  ? -3.426  -23.875 7.933   1.000 41.558  0 88  GLN   AAA O   1 ? 
ATOM   578  C  CB  . GLN   A 1 75  ? -4.732  -26.255 6.754   1.000 36.262  0 88  GLN   AAA CB  1 ? 
ATOM   579  C  CG  . GLN   A 1 75  ? -4.888  -27.653 6.192   1.000 38.326  0 88  GLN   AAA CG  1 ? 
ATOM   580  C  CD  . GLN   A 1 75  ? -5.963  -28.424 6.916   1.000 39.607  0 88  GLN   AAA CD  1 ? 
ATOM   581  O  OE1 . GLN   A 1 75  ? -7.151  -28.146 6.764   1.000 40.829  0 88  GLN   AAA OE1 1 ? 
ATOM   582  N  NE2 . GLN   A 1 75  ? -5.559  -29.397 7.713   1.000 39.310  0 88  GLN   AAA NE2 1 ? 
ATOM   583  N  N   . PHE   A 1 76  ? -3.638  -23.126 5.811   1.000 40.642  0 89  PHE   AAA N   1 ? 
ATOM   584  C  CA  . PHE   A 1 76  ? -3.677  -21.718 6.161   1.000 43.889  0 89  PHE   AAA CA  1 ? 
ATOM   585  C  C   . PHE   A 1 76  ? -5.079  -21.181 5.898   1.000 43.671  0 89  PHE   AAA C   1 ? 
ATOM   586  O  O   . PHE   A 1 76  ? -5.377  -20.654 4.824   1.000 40.052  0 89  PHE   AAA O   1 ? 
ATOM   587  C  CB  . PHE   A 1 76  ? -2.657  -20.915 5.358   1.000 45.366  0 89  PHE   AAA CB  1 ? 
ATOM   588  C  CG  . PHE   A 1 76  ? -1.229  -21.249 5.664   1.000 45.113  0 89  PHE   AAA CG  1 ? 
ATOM   589  C  CD1 . PHE   A 1 76  ? -0.592  -20.695 6.760   1.000 48.687  0 89  PHE   AAA CD1 1 ? 
ATOM   590  C  CD2 . PHE   A 1 76  ? -0.540  -22.150 4.865   1.000 44.034  0 89  PHE   AAA CD2 1 ? 
ATOM   591  C  CE1 . PHE   A 1 76  ? 0.729   -21.012 7.033   1.000 51.564  0 89  PHE   AAA CE1 1 ? 
ATOM   592  C  CE2 . PHE   A 1 76  ? 0.778   -22.473 5.141   1.000 44.697  0 89  PHE   AAA CE2 1 ? 
ATOM   593  C  CZ  . PHE   A 1 76  ? 1.411   -21.900 6.223   1.000 50.951  0 89  PHE   AAA CZ  1 ? 
ATOM   594  N  N   . ARG   A 1 77  ? -5.937  -21.359 6.899   1.000 45.458  0 90  ARG   AAA N   1 ? 
ATOM   595  C  CA  . ARG   A 1 77  ? -7.253  -20.757 6.886   1.000 48.082  0 90  ARG   AAA CA  1 ? 
ATOM   596  C  C   . ARG   A 1 77  ? -7.111  -19.265 7.155   1.000 45.648  0 90  ARG   AAA C   1 ? 
ATOM   597  O  O   . ARG   A 1 77  ? -6.339  -18.863 8.009   1.000 47.666  0 90  ARG   AAA O   1 ? 
ATOM   598  C  CB  . ARG   A 1 77  ? -8.142  -21.370 7.968   1.000 51.325  0 90  ARG   AAA CB  1 ? 
ATOM   599  C  CG  . ARG   A 1 77  ? -8.639  -22.775 7.675   1.000 51.154  0 90  ARG   AAA CG  1 ? 
ATOM   600  C  CD  . ARG   A 1 77  ? -9.915  -23.044 8.450   1.000 54.156  0 90  ARG   AAA CD  1 ? 
ATOM   601  N  NE  . ARG   A 1 77  ? -9.757  -22.729 9.861   1.000 58.525  0 90  ARG   AAA NE  1 ? 
ATOM   602  C  CZ  . ARG   A 1 77  ? -10.708 -22.836 10.781  1.000 62.584  0 90  ARG   AAA CZ  1 ? 
ATOM   603  N  NH1 . ARG   A 1 77  ? -11.877 -23.377 10.483  1.000 62.334  0 90  ARG   AAA NH1 1 ? 
ATOM   604  N  NH2 . ARG   A 1 77  ? -10.466 -22.435 12.017  1.000 65.142  0 90  ARG   AAA NH2 1 ? 
ATOM   605  N  N   . HIS   A 1 78  ? -7.896  -18.458 6.442   1.000 45.050  0 91  HIS   AAA N   1 ? 
ATOM   606  C  CA  . HIS   A 1 78  ? -7.939  -17.032 6.674   1.000 44.192  0 91  HIS   AAA CA  1 ? 
ATOM   607  C  C   . HIS   A 1 78  ? -8.129  -16.800 8.166   1.000 46.929  0 91  HIS   AAA C   1 ? 
ATOM   608  O  O   . HIS   A 1 78  ? -8.990  -17.417 8.790   1.000 46.695  0 91  HIS   AAA O   1 ? 
ATOM   609  C  CB  . HIS   A 1 78  ? -9.072  -16.369 5.879   1.000 48.716  0 91  HIS   AAA CB  1 ? 
ATOM   610  C  CG  . HIS   A 1 78  ? -8.817  -14.912 5.698   1.000 47.640  0 91  HIS   AAA CG  1 ? 
ATOM   611  N  ND1 . HIS   A 1 78  ? -9.177  -13.989 6.649   1.000 45.066  0 91  HIS   AAA ND1 1 ? 
ATOM   612  C  CD2 . HIS   A 1 78  ? -8.128  -14.244 4.767   1.000 48.235  0 91  HIS   AAA CD2 1 ? 
ATOM   613  C  CE1 . HIS   A 1 78  ? -8.754  -12.793 6.271   1.000 47.303  0 91  HIS   AAA CE1 1 ? 
ATOM   614  N  NE2 . HIS   A 1 78  ? -8.111  -12.923 5.136   1.000 48.990  0 91  HIS   AAA NE2 1 ? 
ATOM   615  N  N   . PRO   A 1 79  ? -7.318  -15.930 8.803   1.000 46.198  0 92  PRO   AAA N   1 ? 
ATOM   616  C  CA  . PRO   A 1 79  ? -7.451  -15.715 10.242  1.000 49.982  0 92  PRO   AAA CA  1 ? 
ATOM   617  C  C   . PRO   A 1 79  ? -8.807  -15.134 10.669  1.000 52.904  0 92  PRO   AAA C   1 ? 
ATOM   618  O  O   . PRO   A 1 79  ? -9.126  -15.180 11.846  1.000 51.759  0 92  PRO   AAA O   1 ? 
ATOM   619  C  CB  . PRO   A 1 79  ? -6.270  -14.793 10.584  1.000 51.290  0 92  PRO   AAA CB  1 ? 
ATOM   620  C  CG  . PRO   A 1 79  ? -5.849  -14.155 9.265   1.000 50.043  0 92  PRO   AAA CG  1 ? 
ATOM   621  C  CD  . PRO   A 1 79  ? -6.230  -15.149 8.191   1.000 46.492  0 92  PRO   AAA CD  1 ? 
ATOM   622  N  N   . LYS   A 1 80  ? -9.622  -14.647 9.718   1.000 53.751  0 93  LYS   AAA N   1 ? 
ATOM   623  C  CA  . LYS   A 1 80  ? -10.910 -14.043 10.036  1.000 56.894  0 93  LYS   AAA CA  1 ? 
ATOM   624  C  C   . LYS   A 1 80  ? -12.071 -14.918 9.539   1.000 54.251  0 93  LYS   AAA C   1 ? 
ATOM   625  O  O   . LYS   A 1 80  ? -13.235 -14.553 9.684   1.000 50.593  0 93  LYS   AAA O   1 ? 
ATOM   626  C  CB  . LYS   A 1 80  ? -10.972 -12.627 9.450   1.000 63.100  0 93  LYS   AAA CB  1 ? 
ATOM   627  C  CG  . LYS   A 1 80  ? -10.042 -11.597 10.088  1.000 75.046  0 93  LYS   AAA CG  1 ? 
ATOM   628  C  CD  . LYS   A 1 80  ? -9.996  -10.253 9.353   1.000 90.245  0 93  LYS   AAA CD  1 ? 
ATOM   629  C  CE  . LYS   A 1 80  ? -11.283 -9.453  9.456   1.000 101.686 0 93  LYS   AAA CE  1 ? 
ATOM   630  N  NZ  . LYS   A 1 80  ? -11.511 -8.585  8.272   1.000 107.521 0 93  LYS   AAA NZ  1 ? 
ATOM   631  N  N   . TYR   A 1 81  ? -11.775 -16.102 8.988   1.000 52.609  0 94  TYR   AAA N   1 ? 
ATOM   632  C  CA  . TYR   A 1 81  ? -12.812 -16.995 8.493   1.000 44.992  0 94  TYR   AAA CA  1 ? 
ATOM   633  C  C   . TYR   A 1 81  ? -13.859 -17.255 9.580   1.000 46.413  0 94  TYR   AAA C   1 ? 
ATOM   634  O  O   . TYR   A 1 81  ? -13.532 -17.579 10.714  1.000 46.011  0 94  TYR   AAA O   1 ? 
ATOM   635  C  CB  . TYR   A 1 81  ? -12.188 -18.307 8.024   1.000 43.626  0 94  TYR   AAA CB  1 ? 
ATOM   636  C  CG  . TYR   A 1 81  ? -13.188 -19.404 7.768   1.000 44.645  0 94  TYR   AAA CG  1 ? 
ATOM   637  C  CD1 . TYR   A 1 81  ? -14.132 -19.283 6.759   1.000 44.047  0 94  TYR   AAA CD1 1 ? 
ATOM   638  C  CD2 . TYR   A 1 81  ? -13.215 -20.555 8.539   1.000 45.558  0 94  TYR   AAA CD2 1 ? 
ATOM   639  C  CE1 . TYR   A 1 81  ? -15.067 -20.275 6.505   1.000 40.873  0 94  TYR   AAA CE1 1 ? 
ATOM   640  C  CE2 . TYR   A 1 81  ? -14.149 -21.557 8.303   1.000 45.182  0 94  TYR   AAA CE2 1 ? 
ATOM   641  C  CZ  . TYR   A 1 81  ? -15.069 -21.423 7.275   1.000 44.142  0 94  TYR   AAA CZ  1 ? 
ATOM   642  O  OH  . TYR   A 1 81  ? -16.008 -22.392 7.018   1.000 41.415  0 94  TYR   AAA OH  1 ? 
ATOM   643  N  N   . ASN   A 1 82  ? -15.136 -17.132 9.222   1.000 47.440  0 95  ASN   AAA N   1 ? 
ATOM   644  C  CA  . ASN   A 1 82  ? -16.220 -17.244 10.185  1.000 50.917  0 95  ASN   AAA CA  1 ? 
ATOM   645  C  C   . ASN   A 1 82  ? -17.139 -18.353 9.694   1.000 53.133  0 95  ASN   AAA C   1 ? 
ATOM   646  O  O   . ASN   A 1 82  ? -17.598 -18.312 8.541   1.000 50.835  0 95  ASN   AAA O   1 ? 
ATOM   647  C  CB  . ASN   A 1 82  ? -16.958 -15.910 10.352  1.000 54.580  0 95  ASN   AAA CB  1 ? 
ATOM   648  C  CG  . ASN   A 1 82  ? -18.129 -15.968 11.312  1.000 58.318  0 95  ASN   AAA CG  1 ? 
ATOM   649  O  OD1 . ASN   A 1 82  ? -19.054 -16.752 11.111  1.000 61.521  0 95  ASN   AAA OD1 1 ? 
ATOM   650  N  ND2 . ASN   A 1 82  ? -18.099 -15.145 12.352  1.000 60.347  0 95  ASN   AAA ND2 1 ? 
ATOM   651  N  N   . THR   A 1 83  ? -17.382 -19.335 10.578  1.000 53.759  0 96  THR   AAA N   1 ? 
ATOM   652  C  CA  . THR   A 1 83  ? -18.096 -20.550 10.208  1.000 56.207  0 96  THR   AAA CA  1 ? 
ATOM   653  C  C   . THR   A 1 83  ? -19.597 -20.293 10.050  1.000 56.301  0 96  THR   AAA C   1 ? 
ATOM   654  O  O   . THR   A 1 83  ? -20.267 -21.019 9.320   1.000 60.202  0 96  THR   AAA O   1 ? 
ATOM   655  C  CB  . THR   A 1 83  ? -17.822 -21.668 11.220  1.000 57.981  0 96  THR   AAA CB  1 ? 
ATOM   656  O  OG1 . THR   A 1 83  ? -18.073 -21.141 12.517  1.000 61.952  0 96  THR   AAA OG1 1 ? 
ATOM   657  C  CG2 . THR   A 1 83  ? -16.400 -22.179 11.167  1.000 63.429  0 96  THR   AAA CG2 1 ? 
ATOM   658  N  N   . SER   A 1 84  ? -20.119 -19.253 10.715  1.000 58.786  0 97  SER   AAA N   1 ? 
ATOM   659  C  CA  . SER   A 1 84  ? -21.536 -18.927 10.651  1.000 60.313  0 97  SER   AAA CA  1 ? 
ATOM   660  C  C   . SER   A 1 84  ? -21.857 -18.171 9.365   1.000 61.181  0 97  SER   AAA C   1 ? 
ATOM   661  O  O   . SER   A 1 84  ? -22.783 -18.565 8.657   1.000 58.239  0 97  SER   AAA O   1 ? 
ATOM   662  C  CB  . SER   A 1 84  ? -21.962 -18.135 11.849  1.000 66.216  0 97  SER   AAA CB  1 ? 
ATOM   663  O  OG  . SER   A 1 84  ? -21.400 -18.683 13.026  1.000 69.390  0 97  SER   AAA OG  1 ? 
ATOM   664  N  N   . THR   A 1 85  ? -21.087 -17.099 9.087   1.000 59.191  0 98  THR   AAA N   1 ? 
ATOM   665  C  CA  . THR   A 1 85  ? -21.320 -16.204 7.953   1.000 54.112  0 98  THR   AAA CA  1 ? 
ATOM   666  C  C   . THR   A 1 85  ? -20.643 -16.686 6.666   1.000 51.053  0 98  THR   AAA C   1 ? 
ATOM   667  O  O   . THR   A 1 85  ? -21.073 -16.273 5.587   1.000 51.614  0 98  THR   AAA O   1 ? 
ATOM   668  C  CB  . THR   A 1 85  ? -20.815 -14.783 8.244   1.000 55.420  0 98  THR   AAA CB  1 ? 
ATOM   669  O  OG1 . THR   A 1 85  ? -19.395 -14.797 8.413   1.000 51.261  0 98  THR   AAA OG1 1 ? 
ATOM   670  C  CG2 . THR   A 1 85  ? -21.453 -14.172 9.473   1.000 61.113  0 98  THR   AAA CG2 1 ? 
ATOM   671  N  N   . LEU   A 1 86  ? -19.577 -17.503 6.799   1.000 46.282  0 99  LEU   AAA N   1 ? 
ATOM   672  C  CA  . LEU   A 1 86  ? -18.701 -17.925 5.709   1.000 44.834  0 99  LEU   AAA CA  1 ? 
ATOM   673  C  C   . LEU   A 1 86  ? -17.983 -16.747 5.041   1.000 41.847  0 99  LEU   AAA C   1 ? 
ATOM   674  O  O   . LEU   A 1 86  ? -17.493 -16.848 3.921   1.000 36.997  0 99  LEU   AAA O   1 ? 
ATOM   675  C  CB  . LEU   A 1 86  ? -19.474 -18.726 4.660   1.000 45.445  0 99  LEU   AAA CB  1 ? 
ATOM   676  C  CG  . LEU   A 1 86  ? -20.076 -20.053 5.114   1.000 51.446  0 99  LEU   AAA CG  1 ? 
ATOM   677  C  CD1 . LEU   A 1 86  ? -20.376 -20.933 3.901   1.000 48.906  0 99  LEU   AAA CD1 1 ? 
ATOM   678  C  CD2 . LEU   A 1 86  ? -19.176 -20.786 6.100   1.000 56.694  0 99  LEU   AAA CD2 1 ? 
ATOM   679  N  N   . HIS   A 1 87  ? -17.875 -15.628 5.742   1.000 46.327  0 100 HIS   AAA N   1 ? 
ATOM   680  C  CA  . HIS   A 1 87  ? -16.949 -14.578 5.341   1.000 45.605  0 100 HIS   AAA CA  1 ? 
ATOM   681  C  C   . HIS   A 1 87  ? -15.515 -15.108 5.369   1.000 43.610  0 100 HIS   AAA C   1 ? 
ATOM   682  O  O   . HIS   A 1 87  ? -15.125 -15.853 6.271   1.000 39.934  0 100 HIS   AAA O   1 ? 
ATOM   683  C  CB  . HIS   A 1 87  ? -17.122 -13.360 6.256   1.000 46.037  0 100 HIS   AAA CB  1 ? 
ATOM   684  C  CG  . HIS   A 1 87  ? -18.385 -12.627 5.993   1.000 49.793  0 100 HIS   AAA CG  1 ? 
ATOM   685  N  ND1 . HIS   A 1 87  ? -18.783 -11.555 6.753   1.000 53.122  0 100 HIS   AAA ND1 1 ? 
ATOM   686  C  CD2 . HIS   A 1 87  ? -19.323 -12.783 5.045   1.000 50.485  0 100 HIS   AAA CD2 1 ? 
ATOM   687  C  CE1 . HIS   A 1 87  ? -19.932 -11.096 6.276   1.000 54.293  0 100 HIS   AAA CE1 1 ? 
ATOM   688  N  NE2 . HIS   A 1 87  ? -20.275 -11.823 5.243   1.000 50.109  0 100 HIS   AAA NE2 1 ? 
ATOM   689  N  N   . HIS   A 1 88  ? -14.732 -14.697 4.367   1.000 43.200  0 101 HIS   AAA N   1 ? 
ATOM   690  C  CA  . HIS   A 1 88  ? -13.307 -14.980 4.345   1.000 42.316  0 101 HIS   AAA CA  1 ? 
ATOM   691  C  C   . HIS   A 1 88  ? -13.127 -16.484 4.187   1.000 42.381  0 101 HIS   AAA C   1 ? 
ATOM   692  O  O   . HIS   A 1 88  ? -12.260 -17.082 4.808   1.000 44.371  0 101 HIS   AAA O   1 ? 
ATOM   693  C  CB  . HIS   A 1 88  ? -12.610 -14.403 5.588   1.000 43.353  0 101 HIS   AAA CB  1 ? 
ATOM   694  C  CG  . HIS   A 1 88  ? -13.044 -13.026 5.968   1.000 42.171  0 101 HIS   AAA CG  1 ? 
ATOM   695  N  ND1 . HIS   A 1 88  ? -12.965 -11.940 5.121   1.000 45.424  0 101 HIS   AAA ND1 1 ? 
ATOM   696  C  CD2 . HIS   A 1 88  ? -13.590 -12.567 7.110   1.000 42.445  0 101 HIS   AAA CD2 1 ? 
ATOM   697  C  CE1 . HIS   A 1 88  ? -13.437 -10.865 5.750   1.000 46.269  0 101 HIS   AAA CE1 1 ? 
ATOM   698  N  NE2 . HIS   A 1 88  ? -13.820 -11.227 6.963   1.000 43.300  0 101 HIS   AAA NE2 1 ? 
ATOM   699  N  N   . ASP   A 1 89  ? -13.967 -17.066 3.324   1.000 40.605  0 102 ASP   AAA N   1 ? 
ATOM   700  C  CA  . ASP   A 1 89  ? -13.934 -18.484 3.040   1.000 40.107  0 102 ASP   AAA CA  1 ? 
ATOM   701  C  C   . ASP   A 1 89  ? -12.811 -18.754 2.041   1.000 39.528  0 102 ASP   AAA C   1 ? 
ATOM   702  O  O   . ASP   A 1 89  ? -13.060 -19.041 0.862   1.000 43.218  0 102 ASP   AAA O   1 ? 
ATOM   703  C  CB  . ASP   A 1 89  ? -15.307 -18.957 2.552   1.000 39.813  0 102 ASP   AAA CB  1 ? 
ATOM   704  C  CG  . ASP   A 1 89  ? -15.468 -20.462 2.458   1.000 40.002  0 102 ASP   AAA CG  1 ? 
ATOM   705  O  OD1 . ASP   A 1 89  ? -14.586 -21.185 2.956   1.000 39.521  0 102 ASP   AAA OD1 1 ? 
ATOM   706  O  OD2 . ASP   A 1 89  ? -16.454 -20.888 1.860   1.000 43.053  0 102 ASP   AAA OD2 1 ? 
ATOM   707  N  N   . ILE   A 1 90  ? -11.567 -18.707 2.537   1.000 39.063  0 103 ILE   AAA N   1 ? 
ATOM   708  C  CA  . ILE   A 1 90  ? -10.419 -18.922 1.678   1.000 35.220  0 103 ILE   AAA CA  1 ? 
ATOM   709  C  C   . ILE   A 1 90  ? -9.298  -19.564 2.481   1.000 35.004  0 103 ILE   AAA C   1 ? 
ATOM   710  O  O   . ILE   A 1 90  ? -9.087  -19.243 3.640   1.000 34.041  0 103 ILE   AAA O   1 ? 
ATOM   711  C  CB  . ILE   A 1 90  ? -10.022 -17.579 1.047   1.000 35.889  0 103 ILE   AAA CB  1 ? 
ATOM   712  C  CG1 . ILE   A 1 90  ? -8.965  -17.756 -0.037  1.000 36.883  0 103 ILE   AAA CG1 1 ? 
ATOM   713  C  CG2 . ILE   A 1 90  ? -9.601  -16.564 2.103   1.000 38.505  0 103 ILE   AAA CG2 1 ? 
ATOM   714  C  CD1 . ILE   A 1 90  ? -8.555  -16.459 -0.663  1.000 39.573  0 103 ILE   AAA CD1 1 ? 
ATOM   715  N  N   . MET   A 1 91  ? -8.549  -20.459 1.841   1.000 34.767  0 104 MET   AAA N   1 ? 
ATOM   716  C  CA  . MET   A 1 91  ? -7.530  -21.187 2.570   1.000 37.818  0 104 MET   AAA CA  1 ? 
ATOM   717  C  C   . MET   A 1 91  ? -6.388  -21.564 1.632   1.000 37.002  0 104 MET   AAA C   1 ? 
ATOM   718  O  O   . MET   A 1 91  ? -6.617  -21.925 0.481   1.000 37.478  0 104 MET   AAA O   1 ? 
ATOM   719  C  CB  . MET   A 1 91  ? -8.124  -22.446 3.224   1.000 39.726  0 104 MET   AAA CB  1 ? 
ATOM   720  C  CG  . MET   A 1 91  ? -7.079  -23.366 3.887   1.000 38.018  0 104 MET   AAA CG  1 ? 
ATOM   721  S  SD  . MET   A 1 91  ? -7.770  -24.780 4.772   1.000 37.728  0 104 MET   AAA SD  1 ? 
ATOM   722  C  CE  . MET   A 1 91  ? -8.524  -25.646 3.394   1.000 33.830  0 104 MET   AAA CE  1 ? 
ATOM   723  N  N   . LEU   A 1 92  ? -5.156  -21.448 2.136   1.000 38.823  0 105 LEU   AAA N   1 ? 
ATOM   724  C  CA  . LEU   A 1 92  ? -3.991  -21.938 1.411   1.000 39.542  0 105 LEU   AAA CA  1 ? 
ATOM   725  C  C   . LEU   A 1 92  ? -3.491  -23.248 2.010   1.000 36.978  0 105 LEU   AAA C   1 ? 
ATOM   726  O  O   . LEU   A 1 92  ? -3.399  -23.412 3.225   1.000 39.336  0 105 LEU   AAA O   1 ? 
ATOM   727  C  CB  . LEU   A 1 92  ? -2.898  -20.874 1.432   1.000 41.652  0 105 LEU   AAA CB  1 ? 
ATOM   728  C  CG  . LEU   A 1 92  ? -3.130  -19.716 0.466   1.000 40.915  0 105 LEU   AAA CG  1 ? 
ATOM   729  C  CD1 . LEU   A 1 92  ? -2.257  -18.536 0.858   1.000 42.173  0 105 LEU   AAA CD1 1 ? 
ATOM   730  C  CD2 . LEU   A 1 92  ? -2.855  -20.150 -0.973  1.000 39.534  0 105 LEU   AAA CD2 1 ? 
ATOM   731  N  N   . LEU   A 1 93  ? -3.166  -24.171 1.113   1.000 37.752  0 106 LEU   AAA N   1 ? 
ATOM   732  C  CA  . LEU   A 1 93  ? -2.621  -25.464 1.467   1.000 39.478  0 106 LEU   AAA CA  1 ? 
ATOM   733  C  C   . LEU   A 1 93  ? -1.179  -25.489 0.983   1.000 40.063  0 106 LEU   AAA C   1 ? 
ATOM   734  O  O   . LEU   A 1 93  ? -0.908  -25.237 -0.186  1.000 41.589  0 106 LEU   AAA O   1 ? 
ATOM   735  C  CB  . LEU   A 1 93  ? -3.458  -26.566 0.799   1.000 38.076  0 106 LEU   AAA CB  1 ? 
ATOM   736  C  CG  . LEU   A 1 93  ? -4.933  -26.619 1.182   1.000 37.228  0 106 LEU   AAA CG  1 ? 
ATOM   737  C  CD1 . LEU   A 1 93  ? -5.652  -27.782 0.488   1.000 36.641  0 106 LEU   AAA CD1 1 ? 
ATOM   738  C  CD2 . LEU   A 1 93  ? -5.089  -26.737 2.687   1.000 39.336  0 106 LEU   AAA CD2 1 ? 
ATOM   739  N  N   . LYS   A 1 94  ? -0.259  -25.735 1.915   1.000 43.426  0 107 LYS   AAA N   1 ? 
ATOM   740  C  CA  . LYS   A 1 94  ? 1.139   -25.922 1.583   1.000 42.616  0 107 LYS   AAA CA  1 ? 
ATOM   741  C  C   . LYS   A 1 94  ? 1.408   -27.407 1.358   1.000 40.286  0 107 LYS   AAA C   1 ? 
ATOM   742  O  O   . LYS   A 1 94  ? 1.201   -28.222 2.251   1.000 39.157  0 107 LYS   AAA O   1 ? 
ATOM   743  C  CB  . LYS   A 1 94  ? 2.040   -25.371 2.691   1.000 42.026  0 107 LYS   AAA CB  1 ? 
ATOM   744  C  CG  . LYS   A 1 94  ? 3.512   -25.344 2.312   1.000 42.824  0 107 LYS   AAA CG  1 ? 
ATOM   745  C  CD  . LYS   A 1 94  ? 4.414   -24.689 3.319   1.000 42.484  0 107 LYS   AAA CD  1 ? 
ATOM   746  C  CE  . LYS   A 1 94  ? 5.809   -24.532 2.767   1.000 45.161  0 107 LYS   AAA CE  1 ? 
ATOM   747  N  NZ  . LYS   A 1 94  ? 6.721   -23.969 3.784   1.000 49.303  0 107 LYS   AAA NZ  1 ? 
ATOM   748  N  N   . LEU   A 1 95  ? 1.884   -27.722 0.157   1.000 39.468  0 108 LEU   AAA N   1 ? 
ATOM   749  C  CA  . LEU   A 1 95  ? 2.247   -29.076 -0.228  1.000 41.371  0 108 LEU   AAA CA  1 ? 
ATOM   750  C  C   . LEU   A 1 95  ? 3.621   -29.433 0.344   1.000 43.621  0 108 LEU   AAA C   1 ? 
ATOM   751  O  O   . LEU   A 1 95  ? 4.464   -28.566 0.574   1.000 48.545  0 108 LEU   AAA O   1 ? 
ATOM   752  C  CB  . LEU   A 1 95  ? 2.211   -29.139 -1.758  1.000 41.950  0 108 LEU   AAA CB  1 ? 
ATOM   753  C  CG  . LEU   A 1 95  ? 0.880   -28.743 -2.403  1.000 39.902  0 108 LEU   AAA CG  1 ? 
ATOM   754  C  CD1 . LEU   A 1 95  ? 0.880   -28.991 -3.915  1.000 38.205  0 108 LEU   AAA CD1 1 ? 
ATOM   755  C  CD2 . LEU   A 1 95  ? -0.260  -29.517 -1.755  1.000 39.986  0 108 LEU   AAA CD2 1 ? 
ATOM   756  N  N   . LYS   A 1 96  ? 3.812   -30.723 0.630   1.000 48.580  0 109 LYS   AAA N   1 ? 
ATOM   757  C  CA  . LYS   A 1 96  ? 5.029   -31.251 1.238   1.000 49.164  0 109 LYS   AAA CA  1 ? 
ATOM   758  C  C   . LYS   A 1 96  ? 6.222   -31.049 0.302   1.000 46.477  0 109 LYS   AAA C   1 ? 
ATOM   759  O  O   . LYS   A 1 96  ? 7.320   -30.705 0.735   1.000 47.853  0 109 LYS   AAA O   1 ? 
ATOM   760  C  CB  . LYS   A 1 96  ? 4.850   -32.756 1.476   1.000 52.319  0 109 LYS   AAA CB  1 ? 
ATOM   761  C  CG  . LYS   A 1 96  ? 5.373   -33.320 2.789   1.000 54.083  0 109 LYS   AAA CG  1 ? 
ATOM   762  C  CD  . LYS   A 1 96  ? 6.835   -33.297 2.989   1.000 53.406  0 109 LYS   AAA CD  1 ? 
ATOM   763  C  CE  . LYS   A 1 96  ? 7.254   -34.343 4.006   1.000 59.015  0 109 LYS   AAA CE  1 ? 
ATOM   764  N  NZ  . LYS   A 1 96  ? 6.639   -34.122 5.336   1.000 56.788  0 109 LYS   AAA NZ  1 ? 
ATOM   765  N  N   . GLU   A 1 97  ? 5.989   -31.382 -0.965  1.000 46.408  0 110 GLU   AAA N   1 ? 
ATOM   766  C  CA  . GLU   A 1 97  ? 6.951   -31.244 -2.044  1.000 52.954  0 110 GLU   AAA CA  1 ? 
ATOM   767  C  C   . GLU   A 1 97  ? 6.370   -30.266 -3.060  1.000 48.314  0 110 GLU   AAA C   1 ? 
ATOM   768  O  O   . GLU   A 1 97  ? 5.145   -30.082 -3.138  1.000 44.800  0 110 GLU   AAA O   1 ? 
ATOM   769  C  CB  . GLU   A 1 97  ? 7.180   -32.581 -2.763  1.000 63.873  0 110 GLU   AAA CB  1 ? 
ATOM   770  C  CG  . GLU   A 1 97  ? 7.472   -33.772 -1.855  1.000 77.293  0 110 GLU   AAA CG  1 ? 
ATOM   771  C  CD  . GLU   A 1 97  ? 8.862   -33.828 -1.231  1.000 93.232  0 110 GLU   AAA CD  1 ? 
ATOM   772  O  OE1 . GLU   A 1 97  ? 9.121   -34.764 -0.423  1.000 92.116  0 110 GLU   AAA OE1 1 ? 
ATOM   773  O  OE2 . GLU   A 1 97  ? 9.693   -32.947 -1.552  1.000 103.968 0 110 GLU   AAA OE2 1 ? 
ATOM   774  N  N   . LYS   A 1 98  ? 7.255   -29.670 -3.859  1.000 44.032  0 111 LYS   AAA N   1 ? 
ATOM   775  C  CA  . LYS   A 1 98  ? 6.823   -28.951 -5.039  1.000 44.037  0 111 LYS   AAA CA  1 ? 
ATOM   776  C  C   . LYS   A 1 98  ? 6.352   -29.985 -6.055  1.000 40.615  0 111 LYS   AAA C   1 ? 
ATOM   777  O  O   . LYS   A 1 98  ? 7.008   -31.005 -6.273  1.000 43.684  0 111 LYS   AAA O   1 ? 
ATOM   778  C  CB  . LYS   A 1 98  ? 7.934   -28.017 -5.534  1.000 49.867  0 111 LYS   AAA CB  1 ? 
ATOM   779  C  CG  . LYS   A 1 98  ? 8.461   -27.037 -4.484  1.000 50.893  0 111 LYS   AAA CG  1 ? 
ATOM   780  C  CD  . LYS   A 1 98  ? 8.632   -25.638 -5.006  1.000 55.665  0 111 LYS   AAA CD  1 ? 
ATOM   781  C  CE  . LYS   A 1 98  ? 9.505   -24.747 -4.136  1.000 62.147  0 111 LYS   AAA CE  1 ? 
ATOM   782  N  NZ  . LYS   A 1 98  ? 9.711   -23.394 -4.736  1.000 65.129  0 111 LYS   AAA NZ  1 ? 
ATOM   783  N  N   . ALA   A 1 99  ? 5.177   -29.728 -6.636  1.000 39.544  0 112 ALA   AAA N   1 ? 
ATOM   784  C  CA  . ALA   A 1 99  ? 4.620   -30.567 -7.681  1.000 38.460  0 112 ALA   AAA CA  1 ? 
ATOM   785  C  C   . ALA   A 1 99  ? 5.530   -30.550 -8.901  1.000 38.760  0 112 ALA   AAA C   1 ? 
ATOM   786  O  O   . ALA   A 1 99  ? 6.233   -29.572 -9.123  1.000 37.978  0 112 ALA   AAA O   1 ? 
ATOM   787  C  CB  . ALA   A 1 99  ? 3.258   -30.053 -8.051  1.000 40.802  0 112 ALA   AAA CB  1 ? 
ATOM   788  N  N   . SER   A 1 100 ? 5.518   -31.638 -9.683  1.000 40.155  0 113 SER   AAA N   1 ? 
ATOM   789  C  CA  . SER   A 1 100 ? 6.176   -31.633 -10.978 1.000 40.639  0 113 SER   AAA CA  1 ? 
ATOM   790  C  C   . SER   A 1 100 ? 5.278   -30.852 -11.929 1.000 39.023  0 113 SER   AAA C   1 ? 
ATOM   791  O  O   . SER   A 1 100 ? 4.077   -30.894 -11.782 1.000 38.549  0 113 SER   AAA O   1 ? 
ATOM   792  C  CB  . SER   A 1 100 ? 6.495   -33.035 -11.483 1.000 41.726  0 113 SER   AAA CB  1 ? 
ATOM   793  O  OG  . SER   A 1 100 ? 7.271   -33.776 -10.532 1.000 40.865  0 113 SER   AAA OG  1 ? 
ATOM   794  N  N   . LEU   A 1 101 ? 5.888   -30.057 -12.816 1.000 43.871  0 114 LEU   AAA N   1 ? 
ATOM   795  C  CA  . LEU   A 1 101 ? 5.232   -29.437 -13.959 1.000 41.205  0 114 LEU   AAA CA  1 ? 
ATOM   796  C  C   . LEU   A 1 101 ? 5.180   -30.441 -15.110 1.000 44.197  0 114 LEU   AAA C   1 ? 
ATOM   797  O  O   . LEU   A 1 101 ? 6.221   -30.979 -15.504 1.000 44.153  0 114 LEU   AAA O   1 ? 
ATOM   798  C  CB  . LEU   A 1 101 ? 6.040   -28.199 -14.353 1.000 42.405  0 114 LEU   AAA CB  1 ? 
ATOM   799  C  CG  . LEU   A 1 101 ? 6.207   -27.155 -13.250 1.000 40.294  0 114 LEU   AAA CG  1 ? 
ATOM   800  C  CD1 . LEU   A 1 101 ? 6.925   -25.929 -13.777 1.000 44.008  0 114 LEU   AAA CD1 1 ? 
ATOM   801  C  CD2 . LEU   A 1 101 ? 4.859   -26.779 -12.672 1.000 41.447  0 114 LEU   AAA CD2 1 ? 
ATOM   802  N  N   . THR   A 1 102 ? 3.951   -30.728 -15.579 1.000 40.968  0 115 THR   AAA N   1 ? 
ATOM   803  C  CA  . THR   A 1 102 ? 3.702   -31.668 -16.661 1.000 41.005  0 115 THR   AAA CA  1 ? 
ATOM   804  C  C   . THR   A 1 102 ? 2.668   -31.063 -17.605 1.000 40.686  0 115 THR   AAA C   1 ? 
ATOM   805  O  O   . THR   A 1 102 ? 2.077   -30.025 -17.295 1.000 36.294  0 115 THR   AAA O   1 ? 
ATOM   806  C  CB  . THR   A 1 102 ? 3.259   -33.036 -16.114 1.000 39.915  0 115 THR   AAA CB  1 ? 
ATOM   807  O  OG1 . THR   A 1 102 ? 1.953   -32.958 -15.528 1.000 34.891  0 115 THR   AAA OG1 1 ? 
ATOM   808  C  CG2 . THR   A 1 102 ? 4.239   -33.590 -15.097 1.000 40.065  0 115 THR   AAA CG2 1 ? 
ATOM   809  N  N   . LEU   A 1 103 ? 2.365   -31.762 -18.702 1.000 42.742  0 116 LEU   AAA N   1 ? 
ATOM   810  C  CA  . LEU   A 1 103 ? 1.286   -31.289 -19.548 1.000 48.756  0 116 LEU   AAA CA  1 ? 
ATOM   811  C  C   . LEU   A 1 103 ? -0.041  -31.312 -18.777 1.000 48.116  0 116 LEU   AAA C   1 ? 
ATOM   812  O  O   . LEU   A 1 103 ? -0.901  -30.476 -19.047 1.000 50.740  0 116 LEU   AAA O   1 ? 
ATOM   813  C  CB  . LEU   A 1 103 ? 1.228   -32.095 -20.848 1.000 58.828  0 116 LEU   AAA CB  1 ? 
ATOM   814  C  CG  . LEU   A 1 103 ? 0.156   -31.614 -21.836 1.000 69.974  0 116 LEU   AAA CG  1 ? 
ATOM   815  C  CD1 . LEU   A 1 103 ? 0.363   -30.154 -22.240 1.000 69.029  0 116 LEU   AAA CD1 1 ? 
ATOM   816  C  CD2 . LEU   A 1 103 ? 0.115   -32.504 -23.074 1.000 72.922  0 116 LEU   AAA CD2 1 ? 
ATOM   817  N  N   . ALA   A 1 104 ? -0.174  -32.193 -17.765 1.000 41.047  0 117 ALA   AAA N   1 ? 
ATOM   818  C  CA  . ALA   A 1 104 ? -1.413  -32.365 -17.017 1.000 39.368  0 117 ALA   AAA CA  1 ? 
ATOM   819  C  C   . ALA   A 1 104 ? -1.456  -31.598 -15.697 1.000 37.028  0 117 ALA   AAA C   1 ? 
ATOM   820  O  O   . ALA   A 1 104 ? -2.489  -31.621 -15.013 1.000 36.647  0 117 ALA   AAA O   1 ? 
ATOM   821  C  CB  . ALA   A 1 104 ? -1.605  -33.831 -16.728 1.000 40.473  0 117 ALA   AAA CB  1 ? 
ATOM   822  N  N   . VAL   A 1 105 ? -0.322  -31.016 -15.290 1.000 38.794  0 118 VAL   AAA N   1 ? 
ATOM   823  C  CA  . VAL   A 1 105 ? -0.214  -30.340 -14.003 1.000 38.099  0 118 VAL   AAA CA  1 ? 
ATOM   824  C  C   . VAL   A 1 105 ? 0.586   -29.060 -14.196 1.000 39.757  0 118 VAL   AAA C   1 ? 
ATOM   825  O  O   . VAL   A 1 105 ? 1.741   -29.106 -14.601 1.000 43.147  0 118 VAL   AAA O   1 ? 
ATOM   826  C  CB  . VAL   A 1 105 ? 0.439   -31.214 -12.917 1.000 36.554  0 118 VAL   AAA CB  1 ? 
ATOM   827  C  CG1 . VAL   A 1 105 ? 0.710   -30.413 -11.643 1.000 37.189  0 118 VAL   AAA CG1 1 ? 
ATOM   828  C  CG2 . VAL   A 1 105 ? -0.389  -32.450 -12.601 1.000 35.641  0 118 VAL   AAA CG2 1 ? 
ATOM   829  N  N   . GLY   A 1 106 ? -0.044  -27.921 -13.912 1.000 40.679  0 119 GLY   AAA N   1 ? 
ATOM   830  C  CA  . GLY   A 1 106 ? 0.640   -26.638 -13.938 1.000 42.597  0 119 GLY   AAA CA  1 ? 
ATOM   831  C  C   . GLY   A 1 106 ? -0.054  -25.648 -13.016 1.000 42.758  0 119 GLY   AAA C   1 ? 
ATOM   832  O  O   . GLY   A 1 106 ? -1.116  -25.949 -12.474 1.000 43.092  0 119 GLY   AAA O   1 ? 
ATOM   833  N  N   . THR   A 1 107 ? 0.542   -24.465 -12.856 1.000 45.529  0 120 THR   AAA N   1 ? 
ATOM   834  C  CA  . THR   A 1 107 ? -0.025  -23.450 -11.984 1.000 45.158  0 120 THR   AAA CA  1 ? 
ATOM   835  C  C   . THR   A 1 107 ? -0.900  -22.476 -12.780 1.000 45.842  0 120 THR   AAA C   1 ? 
ATOM   836  O  O   . THR   A 1 107 ? -0.822  -22.388 -14.005 1.000 49.493  0 120 THR   AAA O   1 ? 
ATOM   837  C  CB  . THR   A 1 107 ? 1.080   -22.700 -11.237 1.000 42.068  0 120 THR   AAA CB  1 ? 
ATOM   838  O  OG1 . THR   A 1 107 ? 1.823   -22.030 -12.250 1.000 41.955  0 120 THR   AAA OG1 1 ? 
ATOM   839  C  CG2 . THR   A 1 107 ? 1.955   -23.616 -10.419 1.000 41.913  0 120 THR   AAA CG2 1 ? 
ATOM   840  N  N   . LEU   A 1 108 ? -1.737  -21.742 -12.052 1.000 44.303  0 121 LEU   AAA N   1 ? 
ATOM   841  C  CA  . LEU   A 1 108 ? -2.539  -20.681 -12.622 1.000 50.646  0 121 LEU   AAA CA  1 ? 
ATOM   842  C  C   . LEU   A 1 108 ? -2.071  -19.352 -12.024 1.000 56.473  0 121 LEU   AAA C   1 ? 
ATOM   843  O  O   . LEU   A 1 108 ? -2.306  -19.216 -10.796 1.000 59.718  0 121 LEU   AAA O   1 ? 
ATOM   844  C  CB  . LEU   A 1 108 ? -4.004  -20.982 -12.288 1.000 46.764  0 121 LEU   AAA CB  1 ? 
ATOM   845  C  CG  . LEU   A 1 108 ? -5.026  -20.035 -12.904 1.000 51.711  0 121 LEU   AAA CG  1 ? 
ATOM   846  C  CD1 . LEU   A 1 108 ? -4.947  -20.029 -14.426 1.000 54.170  0 121 LEU   AAA CD1 1 ? 
ATOM   847  C  CD2 . LEU   A 1 108 ? -6.416  -20.427 -12.463 1.000 54.320  0 121 LEU   AAA CD2 1 ? 
ATOM   848  N  N   . GLY   A 1 120 ? -21.669 -8.432  -15.580 1.000 65.524  0 133 GLY   AAA N   1 ? 
ATOM   849  C  CA  . GLY   A 1 120 ? -22.371 -9.193  -16.637 1.000 67.619  0 133 GLY   AAA CA  1 ? 
ATOM   850  C  C   . GLY   A 1 120 ? -21.461 -10.071 -17.513 1.000 69.298  0 133 GLY   AAA C   1 ? 
ATOM   851  O  O   . GLY   A 1 120 ? -21.877 -10.534 -18.574 1.000 70.216  0 133 GLY   AAA O   1 ? 
ATOM   852  N  N   . ARG   A 1 121 ? -20.226 -10.338 -17.077 1.000 67.821  0 134 ARG   AAA N   1 ? 
ATOM   853  C  CA  . ARG   A 1 121 ? -19.311 -11.150 -17.867 1.000 69.711  0 134 ARG   AAA CA  1 ? 
ATOM   854  C  C   . ARG   A 1 121 ? -19.549 -12.632 -17.559 1.000 65.455  0 134 ARG   AAA C   1 ? 
ATOM   855  O  O   . ARG   A 1 121 ? -20.089 -12.978 -16.504 1.000 58.394  0 134 ARG   AAA O   1 ? 
ATOM   856  C  CB  . ARG   A 1 121 ? -17.871 -10.688 -17.623 1.000 78.138  0 134 ARG   AAA CB  1 ? 
ATOM   857  C  CG  . ARG   A 1 121 ? -17.435 -10.679 -16.164 1.000 85.676  0 134 ARG   AAA CG  1 ? 
ATOM   858  C  CD  . ARG   A 1 121 ? -16.171 -9.866  -15.960 1.000 94.630  0 134 ARG   AAA CD  1 ? 
ATOM   859  N  NE  . ARG   A 1 121 ? -15.018 -10.405 -16.671 1.000 102.260 0 134 ARG   AAA NE  1 ? 
ATOM   860  C  CZ  . ARG   A 1 121 ? -14.560 -9.951  -17.837 1.000 103.820 0 134 ARG   AAA CZ  1 ? 
ATOM   861  N  NH1 . ARG   A 1 121 ? -15.314 -9.175  -18.594 1.000 100.380 0 134 ARG   AAA NH1 1 ? 
ATOM   862  N  NH2 . ARG   A 1 121 ? -13.369 -10.327 -18.271 1.000 105.947 0 134 ARG   AAA NH2 1 ? 
ATOM   863  N  N   . MET   A 1 122 ? -19.193 -13.514 -18.504 1.000 61.092  0 135 MET   AAA N   1 ? 
ATOM   864  C  CA  . MET   A 1 122 ? -19.367 -14.946 -18.281 1.000 62.047  0 135 MET   AAA CA  1 ? 
ATOM   865  C  C   . MET   A 1 122 ? -18.037 -15.546 -17.828 1.000 56.128  0 135 MET   AAA C   1 ? 
ATOM   866  O  O   . MET   A 1 122 ? -16.956 -15.114 -18.229 1.000 54.999  0 135 MET   AAA O   1 ? 
ATOM   867  C  CB  . MET   A 1 122 ? -19.906 -15.686 -19.516 1.000 65.332  0 135 MET   AAA CB  1 ? 
ATOM   868  C  CG  . MET   A 1 122 ? -21.392 -15.379 -19.836 1.000 68.079  0 135 MET   AAA CG  1 ? 
ATOM   869  S  SD  . MET   A 1 122 ? -22.710 -16.393 -19.035 1.000 64.874  0 135 MET   AAA SD  1 ? 
ATOM   870  C  CE  . MET   A 1 122 ? -24.120 -15.865 -20.010 1.000 70.766  0 135 MET   AAA CE  1 ? 
ATOM   871  N  N   . CYS   A 1 123 ? -18.137 -16.520 -16.921 1.000 52.025  0 136 CYS   AAA N   1 ? 
ATOM   872  C  CA  . CYS   A 1 123 ? -16.979 -17.098 -16.261 1.000 50.611  0 136 CYS   AAA CA  1 ? 
ATOM   873  C  C   . CYS   A 1 123 ? -17.164 -18.612 -16.273 1.000 50.746  0 136 CYS   AAA C   1 ? 
ATOM   874  O  O   . CYS   A 1 123 ? -18.265 -19.077 -16.558 1.000 53.312  0 136 CYS   AAA O   1 ? 
ATOM   875  C  CB  . CYS   A 1 123 ? -16.836 -16.520 -14.854 1.000 49.256  0 136 CYS   AAA CB  1 ? 
ATOM   876  S  SG  . CYS   A 1 123 ? -16.609 -14.717 -14.846 1.000 48.311  0 136 CYS   AAA SG  1 ? 
ATOM   877  N  N   . ARG   A 1 124 ? -16.097 -19.380 -16.021 1.000 48.480  0 137 ARG   AAA N   1 ? 
ATOM   878  C  CA  . ARG   A 1 124 ? -16.200 -20.830 -16.053 1.000 49.438  0 137 ARG   AAA CA  1 ? 
ATOM   879  C  C   . ARG   A 1 124 ? -15.772 -21.371 -14.695 1.000 46.906  0 137 ARG   AAA C   1 ? 
ATOM   880  O  O   . ARG   A 1 124 ? -14.881 -20.804 -14.062 1.000 45.503  0 137 ARG   AAA O   1 ? 
ATOM   881  C  CB  . ARG   A 1 124 ? -15.367 -21.423 -17.194 1.000 57.386  0 137 ARG   AAA CB  1 ? 
ATOM   882  C  CG  . ARG   A 1 124 ? -15.923 -21.120 -18.579 1.000 68.432  0 137 ARG   AAA CG  1 ? 
ATOM   883  C  CD  . ARG   A 1 124 ? -15.494 -22.102 -19.657 1.000 79.510  0 137 ARG   AAA CD  1 ? 
ATOM   884  N  NE  . ARG   A 1 124 ? -15.403 -21.458 -20.966 1.000 92.058  0 137 ARG   AAA NE  1 ? 
ATOM   885  C  CZ  . ARG   A 1 124 ? -16.105 -21.782 -22.053 1.000 105.215 0 137 ARG   AAA CZ  1 ? 
ATOM   886  N  NH1 . ARG   A 1 124 ? -16.927 -22.816 -22.052 1.000 106.447 0 137 ARG   AAA NH1 1 ? 
ATOM   887  N  NH2 . ARG   A 1 124 ? -15.964 -21.075 -23.164 1.000 108.947 0 137 ARG   AAA NH2 1 ? 
ATOM   888  N  N   . VAL   A 1 125 ? -16.478 -22.409 -14.223 1.000 44.445  0 138 VAL   AAA N   1 ? 
ATOM   889  C  CA  . VAL   A 1 125 ? -16.073 -23.117 -13.022 1.000 44.711  0 138 VAL   AAA CA  1 ? 
ATOM   890  C  C   . VAL   A 1 125 ? -16.065 -24.608 -13.329 1.000 40.452  0 138 VAL   AAA C   1 ? 
ATOM   891  O  O   . VAL   A 1 125 ? -16.943 -25.085 -14.040 1.000 42.231  0 138 VAL   AAA O   1 ? 
ATOM   892  C  CB  . VAL   A 1 125 ? -16.947 -22.773 -11.795 1.000 47.269  0 138 VAL   AAA CB  1 ? 
ATOM   893  C  CG1 . VAL   A 1 125 ? -18.415 -23.088 -12.010 1.000 48.914  0 138 VAL   AAA CG1 1 ? 
ATOM   894  C  CG2 . VAL   A 1 125 ? -16.444 -23.454 -10.524 1.000 44.863  0 138 VAL   AAA CG2 1 ? 
ATOM   895  N  N   . ALA   A 1 126 ? -15.048 -25.300 -12.789 1.000 40.179  0 139 ALA   AAA N   1 ? 
ATOM   896  C  CA  . ALA   A 1 126 ? -14.841 -26.723 -12.991 1.000 41.966  0 139 ALA   AAA CA  1 ? 
ATOM   897  C  C   . ALA   A 1 126 ? -14.797 -27.448 -11.649 1.000 37.931  0 139 ALA   AAA C   1 ? 
ATOM   898  O  O   . ALA   A 1 126 ? -14.370 -26.901 -10.636 1.000 39.078  0 139 ALA   AAA O   1 ? 
ATOM   899  C  CB  . ALA   A 1 126 ? -13.573 -26.978 -13.779 1.000 40.489  0 139 ALA   AAA CB  1 ? 
ATOM   900  N  N   . GLY   A 1 127 ? -15.229 -28.707 -11.664 1.000 37.757  0 140 GLY   AAA N   1 ? 
ATOM   901  C  CA  . GLY   A 1 127 ? -15.152 -29.523 -10.466 1.000 39.165  0 140 GLY   AAA CA  1 ? 
ATOM   902  C  C   . GLY   A 1 127 ? -15.667 -30.947 -10.652 1.000 38.747  0 140 GLY   AAA C   1 ? 
ATOM   903  O  O   . GLY   A 1 127 ? -16.232 -31.305 -11.693 1.000 44.184  0 140 GLY   AAA O   1 ? 
ATOM   904  N  N   . TRP   A 1 128 ? -15.485 -31.728 -9.583  1.000 37.715  0 141 TRP   AAA N   1 ? 
ATOM   905  C  CA  . TRP   A 1 128 ? -15.896 -33.121 -9.525  1.000 37.483  0 141 TRP   AAA CA  1 ? 
ATOM   906  C  C   . TRP   A 1 128 ? -17.151 -33.301 -8.691  1.000 36.694  0 141 TRP   AAA C   1 ? 
ATOM   907  O  O   . TRP   A 1 128 ? -17.491 -34.418 -8.341  1.000 42.534  0 141 TRP   AAA O   1 ? 
ATOM   908  C  CB  . TRP   A 1 128 ? -14.759 -33.988 -8.964  1.000 36.786  0 141 TRP   AAA CB  1 ? 
ATOM   909  C  CG  . TRP   A 1 128 ? -13.575 -34.101 -9.866  1.000 35.681  0 141 TRP   AAA CG  1 ? 
ATOM   910  C  CD1 . TRP   A 1 128 ? -13.381 -35.052 -10.813 1.000 38.349  0 141 TRP   AAA CD1 1 ? 
ATOM   911  C  CD2 . TRP   A 1 128 ? -12.374 -33.304 -9.850  1.000 38.997  0 141 TRP   AAA CD2 1 ? 
ATOM   912  N  NE1 . TRP   A 1 128 ? -12.153 -34.896 -11.405 1.000 41.079  0 141 TRP   AAA NE1 1 ? 
ATOM   913  C  CE2 . TRP   A 1 128 ? -11.519 -33.822 -10.846 1.000 38.739  0 141 TRP   AAA CE2 1 ? 
ATOM   914  C  CE3 . TRP   A 1 128 ? -11.948 -32.184 -9.128  1.000 37.852  0 141 TRP   AAA CE3 1 ? 
ATOM   915  C  CZ2 . TRP   A 1 128 ? -10.272 -33.268 -11.129 1.000 39.686  0 141 TRP   AAA CZ2 1 ? 
ATOM   916  C  CZ3 . TRP   A 1 128 ? -10.715 -31.637 -9.406  1.000 38.534  0 141 TRP   AAA CZ3 1 ? 
ATOM   917  C  CH2 . TRP   A 1 128 ? -9.882  -32.181 -10.387 1.000 39.494  0 141 TRP   AAA CH2 1 ? 
ATOM   918  N  N   . GLY   A 1 129 ? -17.875 -32.223 -8.411  1.000 41.552  0 142 GLY   AAA N   1 ? 
ATOM   919  C  CA  . GLY   A 1 129 ? -19.031 -32.320 -7.545  1.000 40.286  0 142 GLY   AAA CA  1 ? 
ATOM   920  C  C   . GLY   A 1 129 ? -20.228 -32.966 -8.239  1.000 44.805  0 142 GLY   AAA C   1 ? 
ATOM   921  O  O   . GLY   A 1 129 ? -20.183 -33.300 -9.427  1.000 41.365  0 142 GLY   AAA O   1 ? 
ATOM   922  N  N   . ARG   A 1 130 ? -21.315 -33.101 -7.471  1.000 46.719  0 143 ARG   AAA N   1 ? 
ATOM   923  C  CA  . ARG   A 1 130 ? -22.555 -33.739 -7.986  1.000 48.248  0 143 ARG   AAA CA  1 ? 
ATOM   924  C  C   . ARG   A 1 130 ? -23.079 -33.019 -9.227  1.000 46.598  0 143 ARG   AAA C   1 ? 
ATOM   925  O  O   . ARG   A 1 130 ? -22.914 -31.790 -9.320  1.000 47.048  0 143 ARG   AAA O   1 ? 
ATOM   926  C  CB  . ARG   A 1 130 ? -23.639 -33.717 -6.906  1.000 50.869  0 143 ARG   AAA CB  1 ? 
ATOM   927  C  CG  . ARG   A 1 130 ? -23.162 -34.143 -5.528  1.000 51.359  0 143 ARG   AAA CG  1 ? 
ATOM   928  C  CD  . ARG   A 1 130 ? -24.229 -33.822 -4.503  1.000 53.204  0 143 ARG   AAA CD  1 ? 
ATOM   929  N  NE  . ARG   A 1 130 ? -24.066 -34.604 -3.290  1.000 59.518  0 143 ARG   AAA NE  1 ? 
ATOM   930  C  CZ  . ARG   A 1 130 ? -24.885 -35.576 -2.913  1.000 68.119  0 143 ARG   AAA CZ  1 ? 
ATOM   931  N  NH1 . ARG   A 1 130 ? -25.640 -36.189 -3.807  1.000 79.675  0 143 ARG   AAA NH1 1 ? 
ATOM   932  N  NH2 . ARG   A 1 130 ? -24.948 -35.930 -1.641  1.000 75.680  0 143 ARG   AAA NH2 1 ? 
ATOM   933  N  N   . THR   A 1 131 ? -23.724 -33.770 -10.118 1.000 48.308  0 144 THR   AAA N   1 ? 
ATOM   934  C  CA  . THR   A 1 131 ? -24.278 -33.191 -11.368 1.000 49.961  0 144 THR   AAA CA  1 ? 
ATOM   935  C  C   . THR   A 1 131 ? -25.757 -32.863 -11.150 1.000 52.822  0 144 THR   AAA C   1 ? 
ATOM   936  O  O   . THR   A 1 131 ? -26.399 -32.384 -12.101 1.000 52.180  0 144 THR   AAA O   1 ? 
ATOM   937  C  CB  . THR   A 1 131 ? -24.053 -34.166 -12.527 1.000 51.793  0 144 THR   AAA CB  1 ? 
ATOM   938  O  OG1 . THR   A 1 131 ? -24.511 -35.450 -12.103 1.000 50.190  0 144 THR   AAA OG1 1 ? 
ATOM   939  C  CG2 . THR   A 1 131 ? -22.601 -34.251 -12.942 1.000 50.727  0 144 THR   AAA CG2 1 ? 
ATOM   940  N  N   . GLY   A 1 132 ? -26.262 -33.112 -9.940  1.000 53.601  0 145 GLY   AAA N   1 ? 
ATOM   941  C  CA  . GLY   A 1 132 ? -27.673 -32.826 -9.620  1.000 52.314  0 145 GLY   AAA CA  1 ? 
ATOM   942  C  C   . GLY   A 1 132 ? -27.927 -32.895 -8.127  1.000 54.609  0 145 GLY   AAA C   1 ? 
ATOM   943  O  O   . GLY   A 1 132 ? -27.089 -33.475 -7.412  1.000 51.496  0 145 GLY   AAA O   1 ? 
ATOM   944  N  N   . VAL   A 1 133 ? -29.044 -32.326 -7.673  1.000 55.754  0 146 VAL   AAA N   1 ? 
ATOM   945  C  CA  . VAL   A 1 133 ? -29.354 -32.287 -6.214  1.000 61.281  0 146 VAL   AAA CA  1 ? 
ATOM   946  C  C   . VAL   A 1 133 ? -29.259 -33.706 -5.648  1.000 63.239  0 146 VAL   AAA C   1 ? 
ATOM   947  O  O   . VAL   A 1 133 ? -28.590 -33.882 -4.616  1.000 66.261  0 146 VAL   AAA O   1 ? 
ATOM   948  C  CB  . VAL   A 1 133 ? -30.736 -31.659 -5.952  1.000 67.711  0 146 VAL   AAA CB  1 ? 
ATOM   949  C  CG1 . VAL   A 1 133 ? -31.159 -31.816 -4.500  1.000 68.748  0 146 VAL   AAA CG1 1 ? 
ATOM   950  C  CG2 . VAL   A 1 133 ? -30.773 -30.196 -6.365  1.000 67.276  0 146 VAL   AAA CG2 1 ? 
ATOM   951  N  N   . LEU   A 1 134 ? -29.897 -34.674 -6.308  1.000 65.163  0 147 LEU   AAA N   1 ? 
ATOM   952  C  CA  . LEU   A 1 134 ? -29.913 -36.067 -5.792  1.000 65.074  0 147 LEU   AAA CA  1 ? 
ATOM   953  C  C   . LEU   A 1 134 ? -28.999 -36.941 -6.654  1.000 62.800  0 147 LEU   AAA C   1 ? 
ATOM   954  O  O   . LEU   A 1 134 ? -29.172 -38.173 -6.635  1.000 68.758  0 147 LEU   AAA O   1 ? 
ATOM   955  C  CB  . LEU   A 1 134 ? -31.354 -36.579 -5.825  1.000 70.119  0 147 LEU   AAA CB  1 ? 
ATOM   956  C  CG  . LEU   A 1 134 ? -32.430 -35.496 -5.763  1.000 73.427  0 147 LEU   AAA CG  1 ? 
ATOM   957  C  CD1 . LEU   A 1 134 ? -33.553 -35.793 -6.742  1.000 74.512  0 147 LEU   AAA CD1 1 ? 
ATOM   958  C  CD2 . LEU   A 1 134 ? -32.974 -35.357 -4.350  1.000 73.227  0 147 LEU   AAA CD2 1 ? 
ATOM   959  N  N   . LYS   A 1 135 ? -28.071 -36.321 -7.382  1.000 57.370  0 148 LYS   AAA N   1 ? 
ATOM   960  C  CA  . LYS   A 1 135 ? -27.113 -37.091 -8.216  1.000 55.478  0 148 LYS   AAA CA  1 ? 
ATOM   961  C  C   . LYS   A 1 135 ? -25.792 -37.226 -7.453  1.000 53.978  0 148 LYS   AAA C   1 ? 
ATOM   962  O  O   . LYS   A 1 135 ? -25.466 -36.325 -6.661  1.000 54.451  0 148 LYS   AAA O   1 ? 
ATOM   963  C  CB  . LYS   A 1 135 ? -26.921 -36.406 -9.570  1.000 56.462  0 148 LYS   AAA CB  1 ? 
ATOM   964  C  CG  . LYS   A 1 135 ? -28.212 -36.090 -10.312 1.000 63.905  0 148 LYS   AAA CG  1 ? 
ATOM   965  C  CD  . LYS   A 1 135 ? -28.470 -37.013 -11.478 1.000 71.035  0 148 LYS   AAA CD  1 ? 
ATOM   966  C  CE  . LYS   A 1 135 ? -27.544 -36.757 -12.648 1.000 80.481  0 148 LYS   AAA CE  1 ? 
ATOM   967  N  NZ  . LYS   A 1 135 ? -27.231 -35.317 -12.797 1.000 85.031  0 148 LYS   AAA NZ  1 ? 
ATOM   968  N  N   . PRO   A 1 136 ? -25.029 -38.318 -7.656  1.000 59.020  0 150 PRO   AAA N   1 ? 
ATOM   969  C  CA  . PRO   A 1 136 ? -23.758 -38.508 -6.965  1.000 59.497  0 150 PRO   AAA CA  1 ? 
ATOM   970  C  C   . PRO   A 1 136 ? -22.658 -37.606 -7.541  1.000 55.986  0 150 PRO   AAA C   1 ? 
ATOM   971  O  O   . PRO   A 1 136 ? -22.871 -37.022 -8.587  1.000 56.575  0 150 PRO   AAA O   1 ? 
ATOM   972  C  CB  . PRO   A 1 136 ? -23.420 -39.973 -7.272  1.000 57.620  0 150 PRO   AAA CB  1 ? 
ATOM   973  C  CG  . PRO   A 1 136 ? -24.051 -40.210 -8.623  1.000 57.136  0 150 PRO   AAA CG  1 ? 
ATOM   974  C  CD  . PRO   A 1 136 ? -25.337 -39.412 -8.580  1.000 59.607  0 150 PRO   AAA CD  1 ? 
ATOM   975  N  N   . GLY   A 1 137 ? -21.521 -37.516 -6.848  1.000 53.672  0 151 GLY   AAA N   1 ? 
ATOM   976  C  CA  . GLY   A 1 137 ? -20.384 -36.737 -7.373  1.000 50.438  0 151 GLY   AAA CA  1 ? 
ATOM   977  C  C   . GLY   A 1 137 ? -19.944 -37.271 -8.722  1.000 48.848  0 151 GLY   AAA C   1 ? 
ATOM   978  O  O   . GLY   A 1 137 ? -20.242 -38.440 -9.020  1.000 51.388  0 151 GLY   AAA O   1 ? 
ATOM   979  N  N   . SER   A 1 138 ? -19.253 -36.451 -9.509  1.000 48.214  0 152 SER   AAA N   1 ? 
ATOM   980  C  CA  . SER   A 1 138 ? -18.854 -36.860 -10.843 1.000 48.708  0 152 SER   AAA CA  1 ? 
ATOM   981  C  C   . SER   A 1 138 ? -17.563 -37.675 -10.778 1.000 45.200  0 152 SER   AAA C   1 ? 
ATOM   982  O  O   . SER   A 1 138 ? -16.682 -37.381 -9.966  1.000 45.016  0 152 SER   AAA O   1 ? 
ATOM   983  C  CB  . SER   A 1 138 ? -18.691 -35.657 -11.729 1.000 47.806  0 152 SER   AAA CB  1 ? 
ATOM   984  O  OG  . SER   A 1 138 ? -18.513 -36.056 -13.083 1.000 50.861  0 152 SER   AAA OG  1 ? 
ATOM   985  N  N   . ASP   A 1 139 ? -17.481 -38.721 -11.611 1.000 44.687  0 153 ASP   AAA N   1 ? 
ATOM   986  C  CA  . ASP   A 1 139 ? -16.227 -39.416 -11.882 1.000 46.648  0 153 ASP   AAA CA  1 ? 
ATOM   987  C  C   . ASP   A 1 139 ? -15.239 -38.464 -12.573 1.000 43.429  0 153 ASP   AAA C   1 ? 
ATOM   988  O  O   . ASP   A 1 139 ? -14.056 -38.415 -12.223 1.000 42.831  0 153 ASP   AAA O   1 ? 
ATOM   989  C  CB  . ASP   A 1 139 ? -16.456 -40.663 -12.744 1.000 51.514  0 153 ASP   AAA CB  1 ? 
ATOM   990  C  CG  . ASP   A 1 139 ? -17.177 -41.809 -12.052 1.000 54.409  0 153 ASP   AAA CG  1 ? 
ATOM   991  O  OD1 . ASP   A 1 139 ? -17.249 -41.824 -10.797 1.000 56.073  0 153 ASP   AAA OD1 1 ? 
ATOM   992  O  OD2 . ASP   A 1 139 ? -17.675 -42.660 -12.779 1.000 58.262  0 153 ASP   AAA OD2 1 ? 
ATOM   993  N  N   . THR   A 1 140 ? -15.740 -37.675 -13.530 1.000 44.518  0 154 THR   AAA N   1 ? 
ATOM   994  C  CA  . THR   A 1 140 ? -14.904 -36.871 -14.412 1.000 44.908  0 154 THR   AAA CA  1 ? 
ATOM   995  C  C   . THR   A 1 140 ? -15.080 -35.385 -14.120 1.000 46.208  0 154 THR   AAA C   1 ? 
ATOM   996  O  O   . THR   A 1 140 ? -16.161 -34.942 -13.711 1.000 47.306  0 154 THR   AAA O   1 ? 
ATOM   997  C  CB  . THR   A 1 140 ? -15.225 -37.164 -15.881 1.000 47.793  0 154 THR   AAA CB  1 ? 
ATOM   998  O  OG1 . THR   A 1 140 ? -16.630 -36.992 -16.056 1.000 43.792  0 154 THR   AAA OG1 1 ? 
ATOM   999  C  CG2 . THR   A 1 140 ? -14.824 -38.562 -16.307 1.000 48.835  0 154 THR   AAA CG2 1 ? 
ATOM   1000 N  N   . LEU   A 1 141 ? -14.004 -34.623 -14.369 1.000 45.513  0 155 LEU   AAA N   1 ? 
ATOM   1001 C  CA  . LEU   A 1 141 ? -14.008 -33.185 -14.184 1.000 42.268  0 155 LEU   AAA CA  1 ? 
ATOM   1002 C  C   . LEU   A 1 141 ? -14.947 -32.549 -15.208 1.000 41.871  0 155 LEU   AAA C   1 ? 
ATOM   1003 O  O   . LEU   A 1 141 ? -14.864 -32.846 -16.408 1.000 42.123  0 155 LEU   AAA O   1 ? 
ATOM   1004 C  CB  . LEU   A 1 141 ? -12.574 -32.682 -14.356 1.000 44.050  0 155 LEU   AAA CB  1 ? 
ATOM   1005 C  CG  . LEU   A 1 141 ? -12.369 -31.188 -14.142 1.000 41.292  0 155 LEU   AAA CG  1 ? 
ATOM   1006 C  CD1 . LEU   A 1 141 ? -12.529 -30.817 -12.677 1.000 41.197  0 155 LEU   AAA CD1 1 ? 
ATOM   1007 C  CD2 . LEU   A 1 141 ? -11.008 -30.773 -14.647 1.000 42.845  0 155 LEU   AAA CD2 1 ? 
ATOM   1008 N  N   . GLN   A 1 142 ? -15.832 -31.682 -14.698 1.000 41.031  0 156 GLN   AAA N   1 ? 
ATOM   1009 C  CA  . GLN   A 1 142 ? -16.920 -31.069 -15.455 1.000 43.363  0 156 GLN   AAA CA  1 ? 
ATOM   1010 C  C   . GLN   A 1 142 ? -16.762 -29.555 -15.380 1.000 41.647  0 156 GLN   AAA C   1 ? 
ATOM   1011 O  O   . GLN   A 1 142 ? -16.278 -29.063 -14.378 1.000 40.884  0 156 GLN   AAA O   1 ? 
ATOM   1012 C  CB  . GLN   A 1 142 ? -18.268 -31.442 -14.828 1.000 45.479  0 156 GLN   AAA CB  1 ? 
ATOM   1013 C  CG  . GLN   A 1 142 ? -18.542 -32.941 -14.732 1.000 45.390  0 156 GLN   AAA CG  1 ? 
ATOM   1014 C  CD  . GLN   A 1 142 ? -19.178 -33.500 -15.977 1.000 47.916  0 156 GLN   AAA CD  1 ? 
ATOM   1015 O  OE1 . GLN   A 1 142 ? -18.742 -34.512 -16.532 1.000 53.267  0 156 GLN   AAA OE1 1 ? 
ATOM   1016 N  NE2 . GLN   A 1 142 ? -20.229 -32.840 -16.422 1.000 44.797  0 156 GLN   AAA NE2 1 ? 
ATOM   1017 N  N   . GLU   A 1 143 ? -17.176 -28.818 -16.421 1.000 45.579  0 157 GLU   AAA N   1 ? 
ATOM   1018 C  CA  . GLU   A 1 143 ? -17.087 -27.362 -16.426 1.000 48.456  0 157 GLU   AAA CA  1 ? 
ATOM   1019 C  C   . GLU   A 1 143 ? -18.406 -26.760 -16.918 1.000 46.119  0 157 GLU   AAA C   1 ? 
ATOM   1020 O  O   . GLU   A 1 143 ? -19.090 -27.318 -17.773 1.000 45.276  0 157 GLU   AAA O   1 ? 
ATOM   1021 C  CB  . GLU   A 1 143 ? -15.895 -26.868 -17.258 1.000 53.070  0 157 GLU   AAA CB  1 ? 
ATOM   1022 C  CG  . GLU   A 1 143 ? -15.809 -27.474 -18.660 1.000 64.721  0 157 GLU   AAA CG  1 ? 
ATOM   1023 C  CD  . GLU   A 1 143 ? -14.657 -26.962 -19.522 1.000 75.522  0 157 GLU   AAA CD  1 ? 
ATOM   1024 O  OE1 . GLU   A 1 143 ? -14.765 -25.785 -19.971 1.000 74.498  0 157 GLU   AAA OE1 1 ? 
ATOM   1025 O  OE2 . GLU   A 1 143 ? -13.637 -27.717 -19.717 1.000 61.307  0 157 GLU   AAA OE2 1 ? 
ATOM   1026 N  N   . VAL   A 1 144 ? -18.745 -25.594 -16.364 1.000 44.545  0 158 VAL   AAA N   1 ? 
ATOM   1027 C  CA  . VAL   A 1 144 ? -19.985 -24.908 -16.688 1.000 46.166  0 158 VAL   AAA CA  1 ? 
ATOM   1028 C  C   . VAL   A 1 144 ? -19.672 -23.415 -16.814 1.000 45.895  0 158 VAL   AAA C   1 ? 
ATOM   1029 O  O   . VAL   A 1 144 ? -18.813 -22.925 -16.085 1.000 42.529  0 158 VAL   AAA O   1 ? 
ATOM   1030 C  CB  . VAL   A 1 144 ? -21.066 -25.249 -15.634 1.000 44.637  0 158 VAL   AAA CB  1 ? 
ATOM   1031 C  CG1 . VAL   A 1 144 ? -20.860 -24.554 -14.297 1.000 42.518  0 158 VAL   AAA CG1 1 ? 
ATOM   1032 C  CG2 . VAL   A 1 144 ? -22.460 -24.986 -16.154 1.000 52.480  0 158 VAL   AAA CG2 1 ? 
ATOM   1033 N  N   . LYS   A 1 145 ? -20.299 -22.738 -17.797 1.000 49.227  0 159 LYS   AAA N   1 ? 
ATOM   1034 C  CA  . LYS   A 1 145 ? -20.212 -21.290 -17.981 1.000 54.449  0 159 LYS   AAA CA  1 ? 
ATOM   1035 C  C   . LYS   A 1 145 ? -21.337 -20.621 -17.186 1.000 51.132  0 159 LYS   AAA C   1 ? 
ATOM   1036 O  O   . LYS   A 1 145 ? -22.495 -20.983 -17.374 1.000 46.600  0 159 LYS   AAA O   1 ? 
ATOM   1037 C  CB  . LYS   A 1 145 ? -20.387 -20.895 -19.457 1.000 64.992  0 159 LYS   AAA CB  1 ? 
ATOM   1038 C  CG  . LYS   A 1 145 ? -19.641 -21.752 -20.478 1.000 76.517  0 159 LYS   AAA CG  1 ? 
ATOM   1039 C  CD  . LYS   A 1 145 ? -20.429 -22.047 -21.769 1.000 90.469  0 159 LYS   AAA CD  1 ? 
ATOM   1040 C  CE  . LYS   A 1 145 ? -20.113 -23.399 -22.392 1.000 94.453  0 159 LYS   AAA CE  1 ? 
ATOM   1041 N  NZ  . LYS   A 1 145 ? -20.651 -23.540 -23.766 1.000 97.956  0 159 LYS   AAA NZ  1 ? 
ATOM   1042 N  N   . LEU   A 1 146 ? -20.997 -19.658 -16.309 1.000 50.030  0 160 LEU   AAA N   1 ? 
ATOM   1043 C  CA  . LEU   A 1 146 ? -21.951 -18.966 -15.445 1.000 46.764  0 160 LEU   AAA CA  1 ? 
ATOM   1044 C  C   . LEU   A 1 146 ? -21.817 -17.455 -15.617 1.000 49.245  0 160 LEU   AAA C   1 ? 
ATOM   1045 O  O   . LEU   A 1 146 ? -20.746 -16.960 -15.957 1.000 43.568  0 160 LEU   AAA O   1 ? 
ATOM   1046 C  CB  . LEU   A 1 146 ? -21.693 -19.321 -13.977 1.000 48.485  0 160 LEU   AAA CB  1 ? 
ATOM   1047 C  CG  . LEU   A 1 146 ? -21.797 -20.801 -13.596 1.000 51.451  0 160 LEU   AAA CG  1 ? 
ATOM   1048 C  CD1 . LEU   A 1 146 ? -21.430 -21.012 -12.134 1.000 51.388  0 160 LEU   AAA CD1 1 ? 
ATOM   1049 C  CD2 . LEU   A 1 146 ? -23.188 -21.349 -13.864 1.000 50.251  0 160 LEU   AAA CD2 1 ? 
ATOM   1050 N  N   . ARG   A 1 147 ? -22.916 -16.733 -15.345 1.000 50.432  0 161 ARG   AAA N   1 ? 
ATOM   1051 C  CA  . ARG   A 1 147 ? -22.945 -15.290 -15.459 1.000 49.414  0 161 ARG   AAA CA  1 ? 
ATOM   1052 C  C   . ARG   A 1 147 ? -22.592 -14.668 -14.111 1.000 46.121  0 161 ARG   AAA C   1 ? 
ATOM   1053 O  O   . ARG   A 1 147 ? -23.119 -15.066 -13.074 1.000 41.516  0 161 ARG   AAA O   1 ? 
ATOM   1054 C  CB  . ARG   A 1 147 ? -24.323 -14.812 -15.929 1.000 60.310  0 161 ARG   AAA CB  1 ? 
ATOM   1055 C  CG  . ARG   A 1 147 ? -24.305 -13.494 -16.699 1.000 66.855  0 161 ARG   AAA CG  1 ? 
ATOM   1056 C  CD  . ARG   A 1 147 ? -25.666 -12.861 -16.964 1.000 73.035  0 161 ARG   AAA CD  1 ? 
ATOM   1057 N  NE  . ARG   A 1 147 ? -25.909 -11.737 -16.067 1.000 85.394  0 161 ARG   AAA NE  1 ? 
ATOM   1058 C  CZ  . ARG   A 1 147 ? -26.271 -10.512 -16.451 1.000 94.219  0 161 ARG   AAA CZ  1 ? 
ATOM   1059 N  NH1 . ARG   A 1 147 ? -26.617 -10.281 -17.704 1.000 95.696  0 161 ARG   AAA NH1 1 ? 
ATOM   1060 N  NH2 . ARG   A 1 147 ? -26.321 -9.521  -15.575 1.000 96.683  0 161 ARG   AAA NH2 1 ? 
ATOM   1061 N  N   . LEU   A 1 148 ? -21.700 -13.673 -14.149 1.000 46.735  0 162 LEU   AAA N   1 ? 
ATOM   1062 C  CA  . LEU   A 1 148 ? -21.451 -12.793 -13.019 1.000 48.930  0 162 LEU   AAA CA  1 ? 
ATOM   1063 C  C   . LEU   A 1 148 ? -22.623 -11.816 -12.880 1.000 48.208  0 162 LEU   AAA C   1 ? 
ATOM   1064 O  O   . LEU   A 1 148 ? -23.029 -11.160 -13.841 1.000 46.003  0 162 LEU   AAA O   1 ? 
ATOM   1065 C  CB  . LEU   A 1 148 ? -20.123 -12.071 -13.254 1.000 54.001  0 162 LEU   AAA CB  1 ? 
ATOM   1066 C  CG  . LEU   A 1 148 ? -19.266 -11.836 -12.014 1.000 58.707  0 162 LEU   AAA CG  1 ? 
ATOM   1067 C  CD1 . LEU   A 1 148 ? -18.893 -13.161 -11.362 1.000 62.465  0 162 LEU   AAA CD1 1 ? 
ATOM   1068 C  CD2 . LEU   A 1 148 ? -18.013 -11.041 -12.369 1.000 56.115  0 162 LEU   AAA CD2 1 ? 
ATOM   1069 N  N   . MET   A 1 149 ? -23.180 -11.750 -11.665 1.000 46.853  0 163 MET   AAA N   1 ? 
ATOM   1070 C  CA  . MET   A 1 149 ? -24.423 -11.045 -11.416 1.000 44.571  0 163 MET   AAA CA  1 ? 
ATOM   1071 C  C   . MET   A 1 149 ? -24.167 -9.791  -10.586 1.000 44.595  0 163 MET   AAA C   1 ? 
ATOM   1072 O  O   . MET   A 1 149 ? -23.195 -9.684  -9.841  1.000 46.124  0 163 MET   AAA O   1 ? 
ATOM   1073 C  CB  . MET   A 1 149 ? -25.396 -11.946 -10.650 1.000 45.308  0 163 MET   AAA CB  1 ? 
ATOM   1074 C  CG  . MET   A 1 149 ? -25.737 -13.246 -11.379 1.000 46.779  0 163 MET   AAA CG  1 ? 
ATOM   1075 S  SD  . MET   A 1 149 ? -26.667 -13.007 -12.904 1.000 45.871  0 163 MET   AAA SD  1 ? 
ATOM   1076 C  CE  . MET   A 1 149 ? -28.189 -12.331 -12.249 1.000 49.809  0 163 MET   AAA CE  1 ? 
ATOM   1077 N  N   . ASP   A 1 150 ? -25.083 -8.840  -10.695 1.000 45.495  0 164 ASP   AAA N   1 ? 
ATOM   1078 C  CA  . ASP   A 1 150 ? -25.080 -7.725  -9.769  1.000 49.045  0 164 ASP   AAA CA  1 ? 
ATOM   1079 C  C   . ASP   A 1 150 ? -25.315 -8.269  -8.365  1.000 45.874  0 164 ASP   AAA C   1 ? 
ATOM   1080 O  O   . ASP   A 1 150 ? -25.978 -9.287  -8.200  1.000 44.092  0 164 ASP   AAA O   1 ? 
ATOM   1081 C  CB  . ASP   A 1 150 ? -26.097 -6.677  -10.201 1.000 50.127  0 164 ASP   AAA CB  1 ? 
ATOM   1082 C  CG  . ASP   A 1 150 ? -25.693 -6.047  -11.519 1.000 58.860  0 164 ASP   AAA CG  1 ? 
ATOM   1083 O  OD1 . ASP   A 1 150 ? -24.758 -5.209  -11.513 1.000 61.881  0 164 ASP   AAA OD1 1 ? 
ATOM   1084 O  OD2 . ASP   A 1 150 ? -26.281 -6.436  -12.541 1.000 65.992  0 164 ASP   AAA OD2 1 ? 
ATOM   1085 N  N   . PRO   A 1 151 ? -24.723 -7.642  -7.328  1.000 44.163  0 165 PRO   AAA N   1 ? 
ATOM   1086 C  CA  . PRO   A 1 151 ? -24.883 -8.110  -5.948  1.000 42.776  0 165 PRO   AAA CA  1 ? 
ATOM   1087 C  C   . PRO   A 1 151 ? -26.317 -8.312  -5.446  1.000 43.150  0 165 PRO   AAA C   1 ? 
ATOM   1088 O  O   . PRO   A 1 151 ? -26.577 -9.200  -4.637  1.000 42.853  0 165 PRO   AAA O   1 ? 
ATOM   1089 C  CB  . PRO   A 1 151 ? -24.156 -7.031  -5.129  1.000 43.432  0 165 PRO   AAA CB  1 ? 
ATOM   1090 C  CG  . PRO   A 1 151 ? -23.918 -5.873  -6.079  1.000 44.990  0 165 PRO   AAA CG  1 ? 
ATOM   1091 C  CD  . PRO   A 1 151 ? -23.797 -6.505  -7.443  1.000 44.803  0 165 PRO   AAA CD  1 ? 
ATOM   1092 N  N   . GLN   A 1 152 ? -27.262 -7.528  -5.960  1.000 43.316  0 166 GLN   AAA N   1 ? 
ATOM   1093 C  CA  . GLN   A 1 152 ? -28.642 -7.585  -5.498  1.000 47.166  0 166 GLN   AAA CA  1 ? 
ATOM   1094 C  C   . GLN   A 1 152 ? -29.287 -8.936  -5.819  1.000 44.937  0 166 GLN   AAA C   1 ? 
ATOM   1095 O  O   . GLN   A 1 152 ? -30.241 -9.320  -5.145  1.000 45.779  0 166 GLN   AAA O   1 ? 
ATOM   1096 C  CB  . GLN   A 1 152 ? -29.458 -6.413  -6.053  1.000 53.730  0 166 GLN   AAA CB  1 ? 
ATOM   1097 C  CG  . GLN   A 1 152 ? -29.205 -6.084  -7.520  1.000 60.973  0 166 GLN   AAA CG  1 ? 
ATOM   1098 C  CD  . GLN   A 1 152 ? -28.415 -4.813  -7.744  1.000 61.386  0 166 GLN   AAA CD  1 ? 
ATOM   1099 O  OE1 . GLN   A 1 152 ? -28.937 -3.843  -8.297  1.000 71.130  0 166 GLN   AAA OE1 1 ? 
ATOM   1100 N  NE2 . GLN   A 1 152 ? -27.160 -4.795  -7.324  1.000 54.670  0 166 GLN   AAA NE2 1 ? 
ATOM   1101 N  N   . ALA   A 1 153 ? -28.734 -9.673  -6.801  1.000 43.929  0 167 ALA   AAA N   1 ? 
ATOM   1102 C  CA  . ALA   A 1 153 ? -29.230 -10.992 -7.158  1.000 43.968  0 167 ALA   AAA CA  1 ? 
ATOM   1103 C  C   . ALA   A 1 153 ? -28.935 -12.019 -6.059  1.000 40.315  0 167 ALA   AAA C   1 ? 
ATOM   1104 O  O   . ALA   A 1 153 ? -29.592 -13.054 -6.026  1.000 36.452  0 167 ALA   AAA O   1 ? 
ATOM   1105 C  CB  . ALA   A 1 153 ? -28.650 -11.431 -8.477  1.000 44.250  0 167 ALA   AAA CB  1 ? 
ATOM   1106 N  N   . CYS   A 1 154 ? -27.970 -11.724 -5.168  1.000 38.110  0 168 CYS   AAA N   1 ? 
ATOM   1107 C  CA  . CYS   A 1 154 ? -27.629 -12.601 -4.052  1.000 37.399  0 168 CYS   AAA CA  1 ? 
ATOM   1108 C  C   . CYS   A 1 154 ? -28.105 -12.040 -2.700  1.000 38.797  0 168 CYS   AAA C   1 ? 
ATOM   1109 O  O   . CYS   A 1 154 ? -27.672 -12.515 -1.647  1.000 36.204  0 168 CYS   AAA O   1 ? 
ATOM   1110 C  CB  . CYS   A 1 154 ? -26.124 -12.857 -3.972  1.000 38.010  0 168 CYS   AAA CB  1 ? 
ATOM   1111 S  SG  . CYS   A 1 154 ? -25.482 -14.045 -5.179  1.000 40.429  0 168 CYS   AAA SG  1 ? 
ATOM   1112 N  N   . SER   A 1 155 ? -29.011 -11.055 -2.720  1.000 39.878  0 169 SER   AAA N   1 ? 
ATOM   1113 C  CA  . SER   A 1 155 ? -29.486 -10.395 -1.513  1.000 39.492  0 169 SER   AAA CA  1 ? 
ATOM   1114 C  C   . SER   A 1 155 ? -30.091 -11.392 -0.524  1.000 39.939  0 169 SER   AAA C   1 ? 
ATOM   1115 O  O   . SER   A 1 155 ? -29.978 -11.200 0.692   1.000 36.454  0 169 SER   AAA O   1 ? 
ATOM   1116 C  CB  . SER   A 1 155 ? -30.463 -9.305  -1.879  1.000 41.273  0 169 SER   AAA CB  1 ? 
ATOM   1117 O  OG  . SER   A 1 155 ? -31.026 -8.689  -0.723  1.000 45.045  0 169 SER   AAA OG  1 ? 
ATOM   1118 N  N   . HIS   A 1 156 ? -30.758 -12.431 -1.062  1.000 39.223  0 172 HIS   AAA N   1 ? 
ATOM   1119 C  CA  . HIS   A 1 156 ? -31.451 -13.434 -0.261  1.000 40.876  0 172 HIS   AAA CA  1 ? 
ATOM   1120 C  C   . HIS   A 1 156 ? -30.480 -14.239 0.612   1.000 39.844  0 172 HIS   AAA C   1 ? 
ATOM   1121 O  O   . HIS   A 1 156 ? -30.876 -14.844 1.606   1.000 39.613  0 172 HIS   AAA O   1 ? 
ATOM   1122 C  CB  . HIS   A 1 156 ? -32.337 -14.317 -1.154  1.000 42.668  0 172 HIS   AAA CB  1 ? 
ATOM   1123 C  CG  . HIS   A 1 156 ? -31.597 -15.066 -2.211  1.000 40.684  0 172 HIS   AAA CG  1 ? 
ATOM   1124 N  ND1 . HIS   A 1 156 ? -31.184 -14.475 -3.384  1.000 39.821  0 172 HIS   AAA ND1 1 ? 
ATOM   1125 C  CD2 . HIS   A 1 156 ? -31.230 -16.338 -2.278  1.000 39.489  0 172 HIS   AAA CD2 1 ? 
ATOM   1126 C  CE1 . HIS   A 1 156 ? -30.587 -15.377 -4.129  1.000 40.565  0 172 HIS   AAA CE1 1 ? 
ATOM   1127 N  NE2 . HIS   A 1 156 ? -30.576 -16.517 -3.460  1.000 40.908  0 172 HIS   AAA NE2 1 ? 
ATOM   1128 N  N   . PHE   A 1 157 ? -29.204 -14.280 0.229   1.000 40.589  0 173 PHE   AAA N   1 ? 
ATOM   1129 C  CA  . PHE   A 1 157 ? -28.159 -14.708 1.145   1.000 40.518  0 173 PHE   AAA CA  1 ? 
ATOM   1130 C  C   . PHE   A 1 157 ? -27.868 -13.527 2.062   1.000 42.881  0 173 PHE   AAA C   1 ? 
ATOM   1131 O  O   . PHE   A 1 157 ? -27.300 -12.534 1.612   1.000 43.658  0 173 PHE   AAA O   1 ? 
ATOM   1132 C  CB  . PHE   A 1 157 ? -26.934 -15.149 0.354   1.000 40.042  0 173 PHE   AAA CB  1 ? 
ATOM   1133 C  CG  . PHE   A 1 157 ? -27.190 -16.281 -0.608  1.000 38.505  0 173 PHE   AAA CG  1 ? 
ATOM   1134 C  CD1 . PHE   A 1 157 ? -27.561 -17.536 -0.144  1.000 40.310  0 173 PHE   AAA CD1 1 ? 
ATOM   1135 C  CD2 . PHE   A 1 157 ? -27.070 -16.095 -1.977  1.000 36.736  0 173 PHE   AAA CD2 1 ? 
ATOM   1136 C  CE1 . PHE   A 1 157 ? -27.793 -18.577 -1.031  1.000 37.128  0 173 PHE   AAA CE1 1 ? 
ATOM   1137 C  CE2 . PHE   A 1 157 ? -27.292 -17.138 -2.861  1.000 36.933  0 173 PHE   AAA CE2 1 ? 
ATOM   1138 C  CZ  . PHE   A 1 157 ? -27.635 -18.382 -2.384  1.000 37.607  0 173 PHE   AAA CZ  1 ? 
ATOM   1139 N  N   . ARG   A 1 158 ? -28.329 -13.606 3.318   1.000 42.547  0 174 ARG   AAA N   1 ? 
ATOM   1140 C  CA  . ARG   A 1 158 ? -28.387 -12.431 4.178   1.000 46.698  0 174 ARG   AAA CA  1 ? 
ATOM   1141 C  C   . ARG   A 1 158 ? -26.991 -11.960 4.584   1.000 41.929  0 174 ARG   AAA C   1 ? 
ATOM   1142 O  O   . ARG   A 1 158 ? -26.857 -10.813 5.000   1.000 43.008  0 174 ARG   AAA O   1 ? 
ATOM   1143 C  CB  . ARG   A 1 158 ? -29.236 -12.675 5.433   1.000 49.140  0 174 ARG   AAA CB  1 ? 
ATOM   1144 C  CG  . ARG   A 1 158 ? -30.742 -12.550 5.227   1.000 55.517  0 174 ARG   AAA CG  1 ? 
ATOM   1145 C  CD  . ARG   A 1 158 ? -31.259 -11.139 4.933   1.000 56.946  0 174 ARG   AAA CD  1 ? 
ATOM   1146 N  NE  . ARG   A 1 158 ? -31.870 -11.096 3.612   1.000 57.957  0 174 ARG   AAA NE  1 ? 
ATOM   1147 C  CZ  . ARG   A 1 158 ? -32.396 -10.023 3.031   1.000 56.775  0 174 ARG   AAA CZ  1 ? 
ATOM   1148 N  NH1 . ARG   A 1 158 ? -32.201 -8.824  3.550   1.000 53.783  0 174 ARG   AAA NH1 1 ? 
ATOM   1149 N  NH2 . ARG   A 1 158 ? -33.053 -10.154 1.885   1.000 59.934  0 174 ARG   AAA NH2 1 ? 
ATOM   1150 N  N   . ASP   A 1 159 ? -25.978 -12.834 4.465   1.000 41.394  0 175 ASP   AAA N   1 ? 
ATOM   1151 C  CA  . ASP   A 1 159 ? -24.615 -12.536 4.902   1.000 41.358  0 175 ASP   AAA CA  1 ? 
ATOM   1152 C  C   . ASP   A 1 159 ? -23.673 -12.385 3.705   1.000 38.320  0 175 ASP   AAA C   1 ? 
ATOM   1153 O  O   . ASP   A 1 159 ? -22.472 -12.245 3.870   1.000 40.310  0 175 ASP   AAA O   1 ? 
ATOM   1154 C  CB  . ASP   A 1 159 ? -24.110 -13.587 5.894   1.000 43.408  0 175 ASP   AAA CB  1 ? 
ATOM   1155 C  CG  . ASP   A 1 159 ? -24.778 -13.510 7.263   1.000 45.945  0 175 ASP   AAA CG  1 ? 
ATOM   1156 O  OD1 . ASP   A 1 159 ? -24.880 -12.409 7.810   1.000 46.792  0 175 ASP   AAA OD1 1 ? 
ATOM   1157 O  OD2 . ASP   A 1 159 ? -25.170 -14.558 7.778   1.000 50.009  0 175 ASP   AAA OD2 1 ? 
ATOM   1158 N  N   . PHE   A 1 160 ? -24.234 -12.350 2.496   1.000 40.076  0 176 PHE   AAA N   1 ? 
ATOM   1159 C  CA  . PHE   A 1 160 ? -23.512 -11.967 1.295   1.000 40.184  0 176 PHE   AAA CA  1 ? 
ATOM   1160 C  C   . PHE   A 1 160 ? -23.029 -10.527 1.401   1.000 42.242  0 176 PHE   AAA C   1 ? 
ATOM   1161 O  O   . PHE   A 1 160 ? -23.754 -9.657  1.894   1.000 42.323  0 176 PHE   AAA O   1 ? 
ATOM   1162 C  CB  . PHE   A 1 160 ? -24.410 -12.085 0.061   1.000 40.600  0 176 PHE   AAA CB  1 ? 
ATOM   1163 C  CG  . PHE   A 1 160 ? -23.772 -11.605 -1.212  1.000 40.444  0 176 PHE   AAA CG  1 ? 
ATOM   1164 C  CD1 . PHE   A 1 160 ? -22.898 -12.423 -1.910  1.000 37.581  0 176 PHE   AAA CD1 1 ? 
ATOM   1165 C  CD2 . PHE   A 1 160 ? -24.030 -10.329 -1.698  1.000 41.144  0 176 PHE   AAA CD2 1 ? 
ATOM   1166 C  CE1 . PHE   A 1 160 ? -22.289 -11.971 -3.075  1.000 42.734  0 176 PHE   AAA CE1 1 ? 
ATOM   1167 C  CE2 . PHE   A 1 160 ? -23.411 -9.879  -2.855  1.000 45.192  0 176 PHE   AAA CE2 1 ? 
ATOM   1168 C  CZ  . PHE   A 1 160 ? -22.549 -10.705 -3.550  1.000 43.137  0 176 PHE   AAA CZ  1 ? 
ATOM   1169 N  N   . ASP   A 1 161 ? -21.824 -10.285 0.873   1.000 43.508  0 177 ASP   AAA N   1 ? 
ATOM   1170 C  CA  . ASP   A 1 161 ? -21.213 -8.954  0.878   1.000 42.995  0 177 ASP   AAA CA  1 ? 
ATOM   1171 C  C   . ASP   A 1 161 ? -20.430 -8.780  -0.416  1.000 39.513  0 177 ASP   AAA C   1 ? 
ATOM   1172 O  O   . ASP   A 1 161 ? -19.488 -9.534  -0.689  1.000 37.462  0 177 ASP   AAA O   1 ? 
ATOM   1173 C  CB  . ASP   A 1 161 ? -20.291 -8.755  2.088   1.000 43.400  0 177 ASP   AAA CB  1 ? 
ATOM   1174 C  CG  . ASP   A 1 161 ? -19.596 -7.403  2.169   1.000 50.361  0 177 ASP   AAA CG  1 ? 
ATOM   1175 O  OD1 . ASP   A 1 161 ? -19.472 -6.710  1.115   1.000 52.298  0 177 ASP   AAA OD1 1 ? 
ATOM   1176 O  OD2 . ASP   A 1 161 ? -19.207 -7.029  3.304   1.000 52.606  0 177 ASP   AAA OD2 1 ? 
ATOM   1177 N  N   . HIS   A 1 162 A -20.859 -7.783  -1.186  1.000 41.718  0 177 HIS   AAA N   1 ? 
ATOM   1178 C  CA  . HIS   A 1 162 A -20.314 -7.444  -2.488  1.000 46.645  0 177 HIS   AAA CA  1 ? 
ATOM   1179 C  C   . HIS   A 1 162 A -18.792 -7.254  -2.481  1.000 45.290  0 177 HIS   AAA C   1 ? 
ATOM   1180 O  O   . HIS   A 1 162 A -18.135 -7.684  -3.416  1.000 43.679  0 177 HIS   AAA O   1 ? 
ATOM   1181 C  CB  . HIS   A 1 162 A -21.039 -6.190  -2.975  1.000 48.956  0 177 HIS   AAA CB  1 ? 
ATOM   1182 C  CG  . HIS   A 1 162 A -20.619 -5.689  -4.308  1.000 49.701  0 177 HIS   AAA CG  1 ? 
ATOM   1183 N  ND1 . HIS   A 1 162 A -20.573 -6.477  -5.435  1.000 48.072  0 177 HIS   AAA ND1 1 ? 
ATOM   1184 C  CD2 . HIS   A 1 162 A -20.257 -4.454  -4.688  1.000 53.304  0 177 HIS   AAA CD2 1 ? 
ATOM   1185 C  CE1 . HIS   A 1 162 A -20.180 -5.734  -6.460  1.000 51.630  0 177 HIS   AAA CE1 1 ? 
ATOM   1186 N  NE2 . HIS   A 1 162 A -19.991 -4.499  -6.034  1.000 52.227  0 177 HIS   AAA NE2 1 ? 
ATOM   1187 N  N   . ASN   A 1 163 ? -18.216 -6.602  -1.466  1.000 49.237  0 178 ASN   AAA N   1 ? 
ATOM   1188 C  CA  . ASN   A 1 163 ? -16.773 -6.382  -1.456  1.000 53.009  0 178 ASN   AAA CA  1 ? 
ATOM   1189 C  C   . ASN   A 1 163 ? -16.003 -7.673  -1.199  1.000 49.766  0 178 ASN   AAA C   1 ? 
ATOM   1190 O  O   . ASN   A 1 163 ? -14.836 -7.733  -1.564  1.000 52.664  0 178 ASN   AAA O   1 ? 
ATOM   1191 C  CB  . ASN   A 1 163 ? -16.282 -5.419  -0.378  1.000 53.646  0 178 ASN   AAA CB  1 ? 
ATOM   1192 C  CG  . ASN   A 1 163 ? -17.097 -4.158  -0.352  1.000 60.323  0 178 ASN   AAA CG  1 ? 
ATOM   1193 O  OD1 . ASN   A 1 163 ? -17.825 -3.921  0.611   1.000 62.936  0 178 ASN   AAA OD1 1 ? 
ATOM   1194 N  ND2 . ASN   A 1 163 ? -17.001 -3.385  -1.424  1.000 60.515  0 178 ASN   AAA ND2 1 ? 
ATOM   1195 N  N   . LEU   A 1 164 ? -16.639 -8.658  -0.545  1.000 47.719  0 179 LEU   AAA N   1 ? 
ATOM   1196 C  CA  . LEU   A 1 164 ? -15.983 -9.890  -0.120  1.000 44.755  0 179 LEU   AAA CA  1 ? 
ATOM   1197 C  C   . LEU   A 1 164 ? -16.227 -11.040 -1.096  1.000 44.266  0 179 LEU   AAA C   1 ? 
ATOM   1198 O  O   . LEU   A 1 164 ? -15.474 -12.024 -1.070  1.000 42.816  0 179 LEU   AAA O   1 ? 
ATOM   1199 C  CB  . LEU   A 1 164 ? -16.531 -10.316 1.241   1.000 44.497  0 179 LEU   AAA CB  1 ? 
ATOM   1200 C  CG  . LEU   A 1 164 ? -16.281 -9.381  2.422   1.000 47.016  0 179 LEU   AAA CG  1 ? 
ATOM   1201 C  CD1 . LEU   A 1 164 ? -16.648 -10.087 3.714   1.000 46.261  0 179 LEU   AAA CD1 1 ? 
ATOM   1202 C  CD2 . LEU   A 1 164 ? -14.835 -8.904  2.470   1.000 49.285  0 179 LEU   AAA CD2 1 ? 
ATOM   1203 N  N   . GLN   A 1 165 ? -17.290 -10.926 -1.913  1.000 42.218  0 180 GLN   AAA N   1 ? 
ATOM   1204 C  CA  . GLN   A 1 165 ? -17.877 -12.072 -2.597  1.000 42.026  0 180 GLN   AAA CA  1 ? 
ATOM   1205 C  C   . GLN   A 1 165 ? -18.434 -11.693 -3.975  1.000 43.324  0 180 GLN   AAA C   1 ? 
ATOM   1206 O  O   . GLN   A 1 165 ? -18.862 -10.555 -4.200  1.000 42.231  0 180 GLN   AAA O   1 ? 
ATOM   1207 C  CB  . GLN   A 1 165 ? -18.974 -12.709 -1.732  1.000 40.363  0 180 GLN   AAA CB  1 ? 
ATOM   1208 C  CG  . GLN   A 1 165 ? -18.482 -13.308 -0.412  1.000 38.347  0 180 GLN   AAA CG  1 ? 
ATOM   1209 C  CD  . GLN   A 1 165 ? -19.567 -13.493 0.621   1.000 38.931  0 180 GLN   AAA CD  1 ? 
ATOM   1210 O  OE1 . GLN   A 1 165 ? -20.475 -12.673 0.740   1.000 38.715  0 180 GLN   AAA OE1 1 ? 
ATOM   1211 N  NE2 . GLN   A 1 165 ? -19.507 -14.595 1.357   1.000 39.828  0 180 GLN   AAA NE2 1 ? 
ATOM   1212 N  N   . LEU   A 1 166 ? -18.404 -12.682 -4.895  1.000 39.047  0 181 LEU   AAA N   1 ? 
ATOM   1213 C  CA  . LEU   A 1 166 ? -19.049 -12.573 -6.194  1.000 40.136  0 181 LEU   AAA CA  1 ? 
ATOM   1214 C  C   . LEU   A 1 166 ? -20.383 -13.299 -6.148  1.000 38.913  0 181 LEU   AAA C   1 ? 
ATOM   1215 O  O   . LEU   A 1 166 ? -20.512 -14.326 -5.488  1.000 38.484  0 181 LEU   AAA O   1 ? 
ATOM   1216 C  CB  . LEU   A 1 166 ? -18.178 -13.198 -7.283  1.000 42.037  0 181 LEU   AAA CB  1 ? 
ATOM   1217 C  CG  . LEU   A 1 166 ? -16.711 -12.780 -7.300  1.000 43.747  0 181 LEU   AAA CG  1 ? 
ATOM   1218 C  CD1 . LEU   A 1 166 ? -15.984 -13.436 -8.457  1.000 44.845  0 181 LEU   AAA CD1 1 ? 
ATOM   1219 C  CD2 . LEU   A 1 166 ? -16.593 -11.284 -7.408  1.000 49.382  0 181 LEU   AAA CD2 1 ? 
ATOM   1220 N  N   . CYS   A 1 167 ? -21.356 -12.760 -6.881  1.000 38.278  0 182 CYS   AAA N   1 ? 
ATOM   1221 C  CA  . CYS   A 1 167 ? -22.647 -13.394 -7.088  1.000 38.755  0 182 CYS   AAA CA  1 ? 
ATOM   1222 C  C   . CYS   A 1 167 ? -22.670 -13.995 -8.492  1.000 38.565  0 182 CYS   AAA C   1 ? 
ATOM   1223 O  O   . CYS   A 1 167 ? -22.451 -13.279 -9.472  1.000 43.613  0 182 CYS   AAA O   1 ? 
ATOM   1224 C  CB  . CYS   A 1 167 ? -23.750 -12.351 -6.930  1.000 40.321  0 182 CYS   AAA CB  1 ? 
ATOM   1225 S  SG  . CYS   A 1 167 ? -25.416 -13.058 -6.952  1.000 40.708  0 182 CYS   AAA SG  1 ? 
ATOM   1226 N  N   . VAL   A 1 168 ? -22.924 -15.308 -8.580  1.000 39.315  0 183 VAL   AAA N   1 ? 
ATOM   1227 C  CA  . VAL   A 1 168 ? -22.587 -16.090 -9.765  1.000 38.331  0 183 VAL   AAA CA  1 ? 
ATOM   1228 C  C   . VAL   A 1 168 ? -23.721 -17.064 -10.102 1.000 40.307  0 183 VAL   AAA C   1 ? 
ATOM   1229 O  O   . VAL   A 1 168 ? -24.149 -17.864 -9.264  1.000 38.984  0 183 VAL   AAA O   1 ? 
ATOM   1230 C  CB  . VAL   A 1 168 ? -21.260 -16.841 -9.547  1.000 38.239  0 183 VAL   AAA CB  1 ? 
ATOM   1231 C  CG1 . VAL   A 1 168 ? -20.840 -17.630 -10.789 1.000 37.544  0 183 VAL   AAA CG1 1 ? 
ATOM   1232 C  CG2 . VAL   A 1 168 ? -20.143 -15.903 -9.080  1.000 39.013  0 183 VAL   AAA CG2 1 ? 
ATOM   1233 N  N   . GLY   A 1 169 ? -24.190 -16.990 -11.352 1.000 41.231  0 184 GLY   AAA N   1 ? 
ATOM   1234 C  CA  . GLY   A 1 169 ? -25.215 -17.890 -11.853 1.000 43.492  0 184 GLY   AAA CA  1 ? 
ATOM   1235 C  C   . GLY   A 1 169 ? -26.551 -17.184 -12.088 1.000 43.942  0 184 GLY   AAA C   1 ? 
ATOM   1236 O  O   . GLY   A 1 169 ? -27.195 -16.704 -11.159 1.000 42.474  0 184 GLY   AAA O   1 ? 
ATOM   1237 N  N   . ASN   A 1 170 ? -26.958 -17.162 -13.359 1.000 44.892  0 185 ASN   AAA N   1 ? 
ATOM   1238 C  CA  . ASN   A 1 170 ? -28.267 -16.702 -13.773 1.000 45.111  0 185 ASN   AAA CA  1 ? 
ATOM   1239 C  C   . ASN   A 1 170 ? -29.329 -17.590 -13.121 1.000 47.843  0 185 ASN   AAA C   1 ? 
ATOM   1240 O  O   . ASN   A 1 170 ? -29.325 -18.810 -13.317 1.000 45.995  0 185 ASN   AAA O   1 ? 
ATOM   1241 C  CB  . ASN   A 1 170 ? -28.352 -16.713 -15.305 1.000 45.419  0 185 ASN   AAA CB  1 ? 
ATOM   1242 C  CG  . ASN   A 1 170 ? -29.609 -16.088 -15.856 1.000 45.982  0 185 ASN   AAA CG  1 ? 
ATOM   1243 O  OD1 . ASN   A 1 170 ? -30.560 -15.838 -15.124 1.000 45.319  0 185 ASN   AAA OD1 1 ? 
ATOM   1244 N  ND2 . ASN   A 1 170 ? -29.620 -15.838 -17.153 1.000 50.185  0 185 ASN   AAA ND2 1 ? 
ATOM   1245 N  N   . PRO   A 1 171 A -30.275 -17.013 -12.339 1.000 49.685  0 185 PRO   AAA N   1 ? 
ATOM   1246 C  CA  . PRO   A 1 171 A -31.352 -17.788 -11.708 1.000 49.972  0 185 PRO   AAA CA  1 ? 
ATOM   1247 C  C   . PRO   A 1 171 A -32.340 -18.463 -12.657 1.000 52.030  0 185 PRO   AAA C   1 ? 
ATOM   1248 O  O   . PRO   A 1 171 A -33.064 -19.369 -12.243 1.000 49.716  0 185 PRO   AAA O   1 ? 
ATOM   1249 C  CB  . PRO   A 1 171 A -32.136 -16.767 -10.870 1.000 53.070  0 185 PRO   AAA CB  1 ? 
ATOM   1250 C  CG  . PRO   A 1 171 A -31.734 -15.401 -11.417 1.000 53.562  0 185 PRO   AAA CG  1 ? 
ATOM   1251 C  CD  . PRO   A 1 171 A -30.340 -15.583 -11.988 1.000 51.393  0 185 PRO   AAA CD  1 ? 
ATOM   1252 N  N   . ARG   A 1 172 B -32.362 -18.005 -13.917 1.000 50.767  0 185 ARG   AAA N   1 ? 
ATOM   1253 C  CA  . ARG   A 1 172 B -33.254 -18.545 -14.926 1.000 51.819  0 185 ARG   AAA CA  1 ? 
ATOM   1254 C  C   . ARG   A 1 172 B -32.691 -19.805 -15.567 1.000 54.754  0 185 ARG   AAA C   1 ? 
ATOM   1255 O  O   . ARG   A 1 172 B -33.356 -20.390 -16.421 1.000 61.718  0 185 ARG   AAA O   1 ? 
ATOM   1256 C  CB  . ARG   A 1 172 B -33.481 -17.512 -16.029 1.000 55.636  0 185 ARG   AAA CB  1 ? 
ATOM   1257 C  CG  . ARG   A 1 172 B -34.466 -16.419 -15.652 1.000 55.859  0 185 ARG   AAA CG  1 ? 
ATOM   1258 C  CD  . ARG   A 1 172 B -34.788 -15.561 -16.859 1.000 60.184  0 185 ARG   AAA CD  1 ? 
ATOM   1259 N  NE  . ARG   A 1 172 B -35.980 -15.993 -17.576 1.000 61.334  0 185 ARG   AAA NE  1 ? 
ATOM   1260 C  CZ  . ARG   A 1 172 B -36.011 -16.355 -18.853 1.000 64.452  0 185 ARG   AAA CZ  1 ? 
ATOM   1261 N  NH1 . ARG   A 1 172 B -34.882 -16.461 -19.537 1.000 67.279  0 185 ARG   AAA NH1 1 ? 
ATOM   1262 N  NH2 . ARG   A 1 172 B -37.170 -16.622 -19.439 1.000 62.689  0 185 ARG   AAA NH2 1 ? 
ATOM   1263 N  N   . LYS   A 1 173 ? -31.447 -20.167 -15.220 1.000 55.380  0 186 LYS   AAA N   1 ? 
ATOM   1264 C  CA  . LYS   A 1 173 ? -30.808 -21.374 -15.724 1.000 58.523  0 186 LYS   AAA CA  1 ? 
ATOM   1265 C  C   . LYS   A 1 173 ? -30.539 -22.324 -14.555 1.000 59.857  0 186 LYS   AAA C   1 ? 
ATOM   1266 O  O   . LYS   A 1 173 ? -30.564 -21.909 -13.392 1.000 63.692  0 186 LYS   AAA O   1 ? 
ATOM   1267 C  CB  . LYS   A 1 173 ? -29.545 -20.987 -16.497 1.000 58.981  0 186 LYS   AAA CB  1 ? 
ATOM   1268 C  CG  . LYS   A 1 173 ? -29.775 -19.868 -17.500 1.000 60.970  0 186 LYS   AAA CG  1 ? 
ATOM   1269 C  CD  . LYS   A 1 173 ? -28.732 -19.751 -18.587 1.000 64.105  0 186 LYS   AAA CD  1 ? 
ATOM   1270 C  CE  . LYS   A 1 173 ? -29.200 -18.863 -19.723 1.000 66.384  0 186 LYS   AAA CE  1 ? 
ATOM   1271 N  NZ  . LYS   A 1 173 ? -30.444 -19.381 -20.352 1.000 69.158  0 186 LYS   AAA NZ  1 ? 
ATOM   1272 N  N   . THR   A 1 174 ? -30.336 -23.613 -14.862 1.000 58.868  0 187 THR   AAA N   1 ? 
ATOM   1273 C  CA  . THR   A 1 174 ? -30.065 -24.605 -13.827 1.000 60.028  0 187 THR   AAA CA  1 ? 
ATOM   1274 C  C   . THR   A 1 174 ? -28.555 -24.782 -13.659 1.000 57.025  0 187 THR   AAA C   1 ? 
ATOM   1275 O  O   . THR   A 1 174 ? -28.097 -25.297 -12.638 1.000 62.023  0 187 THR   AAA O   1 ? 
ATOM   1276 C  CB  . THR   A 1 174 ? -30.841 -25.909 -14.087 1.000 65.189  0 187 THR   AAA CB  1 ? 
ATOM   1277 O  OG1 . THR   A 1 174 ? -30.552 -26.408 -15.392 1.000 62.431  0 187 THR   AAA OG1 1 ? 
ATOM   1278 C  CG2 . THR   A 1 174 ? -32.341 -25.724 -13.959 1.000 67.666  0 187 THR   AAA CG2 1 ? 
ATOM   1279 N  N   . LYS   A 1 175 ? -27.785 -24.288 -14.635 1.000 54.549  0 188 LYS   AAA N   1 ? 
ATOM   1280 C  CA  . LYS   A 1 175 ? -26.336 -24.282 -14.561 1.000 53.025  0 188 LYS   AAA CA  1 ? 
ATOM   1281 C  C   . LYS   A 1 175 ? -25.881 -23.740 -13.205 1.000 50.074  0 188 LYS   AAA C   1 ? 
ATOM   1282 O  O   . LYS   A 1 175 ? -26.306 -22.668 -12.785 1.000 47.087  0 188 LYS   AAA O   1 ? 
ATOM   1283 C  CB  . LYS   A 1 175 ? -25.777 -23.459 -15.721 1.000 53.541  0 188 LYS   AAA CB  1 ? 
ATOM   1284 C  CG  . LYS   A 1 175 ? -26.121 -23.992 -17.103 1.000 59.347  0 188 LYS   AAA CG  1 ? 
ATOM   1285 C  CD  . LYS   A 1 175 ? -25.349 -23.339 -18.220 1.000 64.903  0 188 LYS   AAA CD  1 ? 
ATOM   1286 C  CE  . LYS   A 1 175 ? -25.423 -21.828 -18.197 1.000 72.272  0 188 LYS   AAA CE  1 ? 
ATOM   1287 N  NZ  . LYS   A 1 175 ? -24.526 -21.216 -19.208 1.000 79.102  0 188 LYS   AAA NZ  1 ? 
ATOM   1288 N  N   . SER   A 1 176 ? -25.007 -24.496 -12.529 1.000 47.714  0 189 SER   AAA N   1 ? 
ATOM   1289 C  CA  . SER   A 1 176 ? -24.559 -24.179 -11.181 1.000 45.374  0 189 SER   AAA CA  1 ? 
ATOM   1290 C  C   . SER   A 1 176 ? -23.427 -25.126 -10.784 1.000 45.369  0 189 SER   AAA C   1 ? 
ATOM   1291 O  O   . SER   A 1 176 ? -23.421 -26.295 -11.157 1.000 45.445  0 189 SER   AAA O   1 ? 
ATOM   1292 C  CB  . SER   A 1 176 ? -25.713 -24.302 -10.204 1.000 46.392  0 189 SER   AAA CB  1 ? 
ATOM   1293 O  OG  . SER   A 1 176 ? -25.298 -24.139 -8.846  1.000 48.798  0 189 SER   AAA OG  1 ? 
ATOM   1294 N  N   . ALA   A 1 177 ? -22.486 -24.619 -9.992  1.000 41.702  0 190 ALA   AAA N   1 ? 
ATOM   1295 C  CA  . ALA   A 1 177 ? -21.680 -25.457 -9.120  1.000 40.481  0 190 ALA   AAA CA  1 ? 
ATOM   1296 C  C   . ALA   A 1 177 ? -22.569 -26.037 -8.027  1.000 38.428  0 190 ALA   AAA C   1 ? 
ATOM   1297 O  O   . ALA   A 1 177 ? -23.618 -25.484 -7.723  1.000 42.689  0 190 ALA   AAA O   1 ? 
ATOM   1298 C  CB  . ALA   A 1 177 ? -20.556 -24.627 -8.527  1.000 42.568  0 190 ALA   AAA CB  1 ? 
ATOM   1299 N  N   . PHE   A 1 178 ? -22.129 -27.131 -7.407  1.000 40.981  0 191 PHE   AAA N   1 ? 
ATOM   1300 C  CA  . PHE   A 1 178 ? -22.902 -27.773 -6.356  1.000 44.168  0 191 PHE   AAA CA  1 ? 
ATOM   1301 C  C   . PHE   A 1 178 ? -21.972 -28.528 -5.402  1.000 45.074  0 191 PHE   AAA C   1 ? 
ATOM   1302 O  O   . PHE   A 1 178 ? -20.762 -28.284 -5.367  1.000 43.150  0 191 PHE   AAA O   1 ? 
ATOM   1303 C  CB  . PHE   A 1 178 ? -24.009 -28.647 -6.964  1.000 45.166  0 191 PHE   AAA CB  1 ? 
ATOM   1304 C  CG  . PHE   A 1 178 ? -25.143 -28.987 -6.021  1.000 47.466  0 191 PHE   AAA CG  1 ? 
ATOM   1305 C  CD1 . PHE   A 1 178 ? -25.779 -28.001 -5.277  1.000 46.758  0 191 PHE   AAA CD1 1 ? 
ATOM   1306 C  CD2 . PHE   A 1 178 ? -25.578 -30.297 -5.866  1.000 46.037  0 191 PHE   AAA CD2 1 ? 
ATOM   1307 C  CE1 . PHE   A 1 178 ? -26.815 -28.324 -4.408  1.000 45.698  0 191 PHE   AAA CE1 1 ? 
ATOM   1308 C  CE2 . PHE   A 1 178 ? -26.610 -30.616 -4.995  1.000 46.363  0 191 PHE   AAA CE2 1 ? 
ATOM   1309 C  CZ  . PHE   A 1 178 ? -27.233 -29.629 -4.273  1.000 48.251  0 191 PHE   AAA CZ  1 ? 
ATOM   1310 N  N   . LYS   A 1 179 ? -22.567 -29.404 -4.583  1.000 47.414  0 192 LYS   AAA N   1 ? 
ATOM   1311 C  CA  . LYS   A 1 179 ? -21.857 -30.084 -3.521  1.000 47.008  0 192 LYS   AAA CA  1 ? 
ATOM   1312 C  C   . LYS   A 1 179 ? -20.646 -30.776 -4.133  1.000 44.924  0 192 LYS   AAA C   1 ? 
ATOM   1313 O  O   . LYS   A 1 179 ? -20.774 -31.504 -5.121  1.000 42.445  0 192 LYS   AAA O   1 ? 
ATOM   1314 C  CB  . LYS   A 1 179 ? -22.765 -31.108 -2.824  1.000 49.761  0 192 LYS   AAA CB  1 ? 
ATOM   1315 C  CG  . LYS   A 1 179 ? -24.005 -30.562 -2.118  1.000 51.454  0 192 LYS   AAA CG  1 ? 
ATOM   1316 C  CD  . LYS   A 1 179 ? -24.888 -31.691 -1.580  1.000 49.959  0 192 LYS   AAA CD  1 ? 
ATOM   1317 C  CE  . LYS   A 1 179 ? -26.081 -31.226 -0.775  1.000 48.819  0 192 LYS   AAA CE  1 ? 
ATOM   1318 N  NZ  . LYS   A 1 179 ? -25.655 -30.660 0.520   1.000 48.808  0 192 LYS   AAA NZ  1 ? 
ATOM   1319 N  N   . GLY   A 1 180 ? -19.484 -30.521 -3.527  1.000 44.795  0 193 GLY   AAA N   1 ? 
ATOM   1320 C  CA  . GLY   A 1 180 ? -18.232 -31.134 -3.937  1.000 43.955  0 193 GLY   AAA CA  1 ? 
ATOM   1321 C  C   . GLY   A 1 180 ? -17.434 -30.244 -4.884  1.000 42.847  0 193 GLY   AAA C   1 ? 
ATOM   1322 O  O   . GLY   A 1 180 ? -16.291 -30.554 -5.180  1.000 42.737  0 193 GLY   AAA O   1 ? 
ATOM   1323 N  N   . ASP   A 1 181 ? -18.029 -29.149 -5.374  1.000 40.884  0 194 ASP   AAA N   1 ? 
ATOM   1324 C  CA  . ASP   A 1 181 ? -17.305 -28.210 -6.220  1.000 38.049  0 194 ASP   AAA CA  1 ? 
ATOM   1325 C  C   . ASP   A 1 181 ? -16.668 -27.101 -5.376  1.000 37.536  0 194 ASP   AAA C   1 ? 
ATOM   1326 O  O   . ASP   A 1 181 ? -15.845 -26.342 -5.887  1.000 35.931  0 194 ASP   AAA O   1 ? 
ATOM   1327 C  CB  . ASP   A 1 181 ? -18.231 -27.636 -7.293  1.000 41.029  0 194 ASP   AAA CB  1 ? 
ATOM   1328 C  CG  . ASP   A 1 181 ? -18.724 -28.655 -8.307  1.000 40.571  0 194 ASP   AAA CG  1 ? 
ATOM   1329 O  OD1 . ASP   A 1 181 ? -17.888 -29.412 -8.787  1.000 43.018  0 194 ASP   AAA OD1 1 ? 
ATOM   1330 O  OD2 . ASP   A 1 181 ? -19.934 -28.644 -8.640  1.000 39.865  0 194 ASP   AAA OD2 1 ? 
ATOM   1331 N  N   . SER   A 1 182 ? -17.069 -27.001 -4.099  1.000 38.007  0 195 SER   AAA N   1 ? 
ATOM   1332 C  CA  . SER   A 1 182 ? -16.444 -26.139 -3.100  1.000 38.915  0 195 SER   AAA CA  1 ? 
ATOM   1333 C  C   . SER   A 1 182 ? -14.943 -26.053 -3.286  1.000 38.955  0 195 SER   AAA C   1 ? 
ATOM   1334 O  O   . SER   A 1 182 ? -14.300 -27.093 -3.368  1.000 39.728  0 195 SER   AAA O   1 ? 
ATOM   1335 C  CB  . SER   A 1 182 ? -16.697 -26.659 -1.708  1.000 41.168  0 195 SER   AAA CB  1 ? 
ATOM   1336 O  OG  . SER   A 1 182 ? -18.025 -26.401 -1.324  1.000 44.437  0 195 SER   AAA OG  1 ? 
ATOM   1337 N  N   . GLY   A 1 183 ? -14.416 -24.820 -3.240  1.000 39.605  0 196 GLY   AAA N   1 ? 
ATOM   1338 C  CA  . GLY   A 1 183 ? -12.985 -24.556 -3.222  1.000 39.165  0 196 GLY   AAA CA  1 ? 
ATOM   1339 C  C   . GLY   A 1 183 ? -12.383 -24.329 -4.613  1.000 41.239  0 196 GLY   AAA C   1 ? 
ATOM   1340 O  O   . GLY   A 1 183 ? -11.301 -23.770 -4.716  1.000 39.313  0 196 GLY   AAA O   1 ? 
ATOM   1341 N  N   . GLY   A 1 184 ? -13.046 -24.794 -5.682  1.000 38.986  0 197 GLY   AAA N   1 ? 
ATOM   1342 C  CA  . GLY   A 1 184 ? -12.518 -24.652 -7.032  1.000 40.094  0 197 GLY   AAA CA  1 ? 
ATOM   1343 C  C   . GLY   A 1 184 ? -12.549 -23.205 -7.518  1.000 40.034  0 197 GLY   AAA C   1 ? 
ATOM   1344 O  O   . GLY   A 1 184 ? -13.241 -22.368 -6.943  1.000 45.479  0 197 GLY   AAA O   1 ? 
ATOM   1345 N  N   . PRO   A 1 185 ? -11.783 -22.839 -8.570  1.000 38.797  0 198 PRO   AAA N   1 ? 
ATOM   1346 C  CA  . PRO   A 1 185 ? -11.770 -21.471 -9.075  1.000 38.999  0 198 PRO   AAA CA  1 ? 
ATOM   1347 C  C   . PRO   A 1 185 ? -12.879 -21.166 -10.075 1.000 40.663  0 198 PRO   AAA C   1 ? 
ATOM   1348 O  O   . PRO   A 1 185 ? -13.212 -22.000 -10.917 1.000 39.047  0 198 PRO   AAA O   1 ? 
ATOM   1349 C  CB  . PRO   A 1 185 ? -10.424 -21.382 -9.808  1.000 40.797  0 198 PRO   AAA CB  1 ? 
ATOM   1350 C  CG  . PRO   A 1 185 ? -10.222 -22.786 -10.338 1.000 42.173  0 198 PRO   AAA CG  1 ? 
ATOM   1351 C  CD  . PRO   A 1 185 ? -10.851 -23.704 -9.305  1.000 41.071  0 198 PRO   AAA CD  1 ? 
ATOM   1352 N  N   . LEU   A 1 186 ? -13.420 -19.945 -9.947  1.000 42.371  0 199 LEU   AAA N   1 ? 
ATOM   1353 C  CA  . LEU   A 1 186 ? -14.158 -19.294 -11.003 1.000 42.147  0 199 LEU   AAA CA  1 ? 
ATOM   1354 C  C   . LEU   A 1 186 ? -13.164 -18.502 -11.850 1.000 40.873  0 199 LEU   AAA C   1 ? 
ATOM   1355 O  O   . LEU   A 1 186 ? -12.498 -17.604 -11.344 1.000 39.865  0 199 LEU   AAA O   1 ? 
ATOM   1356 C  CB  . LEU   A 1 186 ? -15.226 -18.383 -10.393 1.000 40.865  0 199 LEU   AAA CB  1 ? 
ATOM   1357 C  CG  . LEU   A 1 186 ? -16.113 -17.698 -11.430 1.000 42.871  0 199 LEU   AAA CG  1 ? 
ATOM   1358 C  CD1 . LEU   A 1 186 ? -17.186 -18.648 -11.936 1.000 46.206  0 199 LEU   AAA CD1 1 ? 
ATOM   1359 C  CD2 . LEU   A 1 186 ? -16.726 -16.432 -10.876 1.000 43.913  0 199 LEU   AAA CD2 1 ? 
ATOM   1360 N  N   . LEU   A 1 187 ? -13.083 -18.843 -13.136 1.000 39.268  0 200 LEU   AAA N   1 ? 
ATOM   1361 C  CA  . LEU   A 1 187 ? -12.178 -18.179 -14.050 1.000 45.034  0 200 LEU   AAA CA  1 ? 
ATOM   1362 C  C   . LEU   A 1 187 ? -12.983 -17.267 -14.968 1.000 49.903  0 200 LEU   AAA C   1 ? 
ATOM   1363 O  O   . LEU   A 1 187 ? -13.979 -17.681 -15.558 1.000 50.717  0 200 LEU   AAA O   1 ? 
ATOM   1364 C  CB  . LEU   A 1 187 ? -11.421 -19.223 -14.876 1.000 48.901  0 200 LEU   AAA CB  1 ? 
ATOM   1365 C  CG  . LEU   A 1 187 ? -10.204 -19.874 -14.221 1.000 49.014  0 200 LEU   AAA CG  1 ? 
ATOM   1366 C  CD1 . LEU   A 1 187 ? -10.574 -21.185 -13.535 1.000 50.380  0 200 LEU   AAA CD1 1 ? 
ATOM   1367 C  CD2 . LEU   A 1 187 ? -9.130  -20.100 -15.265 1.000 50.459  0 200 LEU   AAA CD2 1 ? 
ATOM   1368 N  N   . CYS   A 1 188 ? -12.515 -16.025 -15.107 1.000 52.133  0 201 CYS   AAA N   1 ? 
ATOM   1369 C  CA  . CYS   A 1 188 ? -13.134 -15.066 -16.006 1.000 54.170  0 201 CYS   AAA CA  1 ? 
ATOM   1370 C  C   . CYS   A 1 188 ? -12.052 -14.554 -16.947 1.000 55.675  0 201 CYS   AAA C   1 ? 
ATOM   1371 O  O   . CYS   A 1 188 ? -11.055 -14.027 -16.469 1.000 57.654  0 201 CYS   AAA O   1 ? 
ATOM   1372 C  CB  . CYS   A 1 188 ? -13.749 -13.895 -15.240 1.000 53.596  0 201 CYS   AAA CB  1 ? 
ATOM   1373 S  SG  . CYS   A 1 188 ? -14.855 -14.370 -13.880 1.000 47.282  0 201 CYS   AAA SG  1 ? 
ATOM   1374 N  N   . ALA   A 1 189 ? -12.240 -14.753 -18.263 1.000 59.894  0 202 ALA   AAA N   1 ? 
ATOM   1375 C  CA  . ALA   A 1 189 ? -11.266 -14.392 -19.293 1.000 60.641  0 202 ALA   AAA CA  1 ? 
ATOM   1376 C  C   . ALA   A 1 189 ? -9.865  -14.940 -18.993 1.000 61.621  0 202 ALA   AAA C   1 ? 
ATOM   1377 O  O   . ALA   A 1 189 ? -8.876  -14.265 -19.249 1.000 67.429  0 202 ALA   AAA O   1 ? 
ATOM   1378 C  CB  . ALA   A 1 189 ? -11.224 -12.887 -19.459 1.000 59.357  0 202 ALA   AAA CB  1 ? 
ATOM   1379 N  N   . GLY   A 1 190 ? -9.755  -16.142 -18.423 1.000 58.415  0 207 GLY   AAA N   1 ? 
ATOM   1380 C  CA  . GLY   A 1 190 ? -8.449  -16.765 -18.260 1.000 57.846  0 207 GLY   AAA CA  1 ? 
ATOM   1381 C  C   . GLY   A 1 190 ? -7.867  -16.653 -16.853 1.000 54.451  0 207 GLY   AAA C   1 ? 
ATOM   1382 O  O   . GLY   A 1 190 ? -6.931  -17.381 -16.521 1.000 56.207  0 207 GLY   AAA O   1 ? 
ATOM   1383 N  N   . ALA   A 1 191 ? -8.428  -15.760 -16.030 1.000 51.319  0 208 ALA   AAA N   1 ? 
ATOM   1384 C  CA  . ALA   A 1 191 ? -7.888  -15.492 -14.707 1.000 49.388  0 208 ALA   AAA CA  1 ? 
ATOM   1385 C  C   . ALA   A 1 191 ? -8.875  -15.908 -13.625 1.000 44.747  0 208 ALA   AAA C   1 ? 
ATOM   1386 O  O   . ALA   A 1 191 ? -10.075 -15.686 -13.744 1.000 49.835  0 208 ALA   AAA O   1 ? 
ATOM   1387 C  CB  . ALA   A 1 191 ? -7.540  -14.022 -14.590 1.000 51.301  0 208 ALA   AAA CB  1 ? 
ATOM   1388 N  N   . ALA   A 1 192 ? -8.338  -16.478 -12.551 1.000 46.795  0 209 ALA   AAA N   1 ? 
ATOM   1389 C  CA  . ALA   A 1 192 ? -9.126  -16.828 -11.387 1.000 48.293  0 209 ALA   AAA CA  1 ? 
ATOM   1390 C  C   . ALA   A 1 192 ? -9.624  -15.555 -10.703 1.000 48.959  0 209 ALA   AAA C   1 ? 
ATOM   1391 O  O   . ALA   A 1 192 ? -8.843  -14.660 -10.423 1.000 54.964  0 209 ALA   AAA O   1 ? 
ATOM   1392 C  CB  . ALA   A 1 192 ? -8.285  -17.667 -10.462 1.000 48.287  0 209 ALA   AAA CB  1 ? 
ATOM   1393 N  N   . GLN   A 1 193 ? -10.936 -15.465 -10.476 1.000 47.479  0 210 GLN   AAA N   1 ? 
ATOM   1394 C  CA  . GLN   A 1 193 ? -11.530 -14.324 -9.797  1.000 48.411  0 210 GLN   AAA CA  1 ? 
ATOM   1395 C  C   . GLN   A 1 193 ? -12.259 -14.747 -8.529  1.000 42.847  0 210 GLN   AAA C   1 ? 
ATOM   1396 O  O   . GLN   A 1 193 ? -12.432 -13.935 -7.623  1.000 43.055  0 210 GLN   AAA O   1 ? 
ATOM   1397 C  CB  . GLN   A 1 193 ? -12.512 -13.601 -10.716 1.000 49.803  0 210 GLN   AAA CB  1 ? 
ATOM   1398 C  CG  . GLN   A 1 193 ? -11.847 -12.960 -11.927 1.000 55.275  0 210 GLN   AAA CG  1 ? 
ATOM   1399 C  CD  . GLN   A 1 193 ? -10.762 -11.960 -11.596 1.000 60.481  0 210 GLN   AAA CD  1 ? 
ATOM   1400 O  OE1 . GLN   A 1 193 ? -10.027 -11.515 -12.476 1.000 71.819  0 210 GLN   AAA OE1 1 ? 
ATOM   1401 N  NE2 . GLN   A 1 193 ? -10.626 -11.608 -10.326 1.000 60.641  0 210 GLN   AAA NE2 1 ? 
ATOM   1402 N  N   . GLY   A 1 194 ? -12.691 -16.008 -8.488  1.000 40.921  0 211 GLY   AAA N   1 ? 
ATOM   1403 C  CA  . GLY   A 1 194 ? -13.554 -16.464 -7.421  1.000 42.097  0 211 GLY   AAA CA  1 ? 
ATOM   1404 C  C   . GLY   A 1 194 ? -13.218 -17.869 -6.948  1.000 40.013  0 211 GLY   AAA C   1 ? 
ATOM   1405 O  O   . GLY   A 1 194 ? -12.547 -18.620 -7.654  1.000 40.955  0 211 GLY   AAA O   1 ? 
ATOM   1406 N  N   . ILE   A 1 195 ? -13.712 -18.191 -5.741  1.000 39.097  0 212 ILE   AAA N   1 ? 
ATOM   1407 C  CA  . ILE   A 1 195 ? -13.643 -19.532 -5.185  1.000 39.868  0 212 ILE   AAA CA  1 ? 
ATOM   1408 C  C   . ILE   A 1 195 ? -15.056 -19.954 -4.791  1.000 37.949  0 212 ILE   AAA C   1 ? 
ATOM   1409 O  O   . ILE   A 1 195 ? -15.734 -19.245 -4.049  1.000 38.394  0 212 ILE   AAA O   1 ? 
ATOM   1410 C  CB  . ILE   A 1 195 ? -12.655 -19.600 -3.996  1.000 38.815  0 212 ILE   AAA CB  1 ? 
ATOM   1411 C  CG1 . ILE   A 1 195 ? -11.238 -19.187 -4.396  1.000 40.123  0 212 ILE   AAA CG1 1 ? 
ATOM   1412 C  CG2 . ILE   A 1 195 ? -12.670 -20.973 -3.360  1.000 34.662  0 212 ILE   AAA CG2 1 ? 
ATOM   1413 C  CD1 . ILE   A 1 195 ? -10.386 -18.811 -3.220  1.000 45.019  0 212 ILE   AAA CD1 1 ? 
ATOM   1414 N  N   . VAL   A 1 196 ? -15.477 -21.125 -5.286  1.000 36.212  0 213 VAL   AAA N   1 ? 
ATOM   1415 C  CA  . VAL   A 1 196 ? -16.788 -21.669 -4.980  1.000 35.831  0 213 VAL   AAA CA  1 ? 
ATOM   1416 C  C   . VAL   A 1 196 ? -16.978 -21.720 -3.460  1.000 39.213  0 213 VAL   AAA C   1 ? 
ATOM   1417 O  O   . VAL   A 1 196 ? -16.163 -22.353 -2.785  1.000 33.312  0 213 VAL   AAA O   1 ? 
ATOM   1418 C  CB  . VAL   A 1 196 ? -16.962 -23.077 -5.573  1.000 36.494  0 213 VAL   AAA CB  1 ? 
ATOM   1419 C  CG1 . VAL   A 1 196 ? -18.331 -23.620 -5.232  1.000 35.939  0 213 VAL   AAA CG1 1 ? 
ATOM   1420 C  CG2 . VAL   A 1 196 ? -16.739 -23.142 -7.084  1.000 34.436  0 213 VAL   AAA CG2 1 ? 
ATOM   1421 N  N   . SER   A 1 197 ? -18.046 -21.072 -2.928  1.000 36.094  0 214 SER   AAA N   1 ? 
ATOM   1422 C  CA  . SER   A 1 197 ? -18.235 -21.029 -1.481  1.000 35.836  0 214 SER   AAA CA  1 ? 
ATOM   1423 C  C   . SER   A 1 197 ? -19.505 -21.751 -1.030  1.000 37.273  0 214 SER   AAA C   1 ? 
ATOM   1424 O  O   . SER   A 1 197 ? -19.407 -22.754 -0.321  1.000 37.236  0 214 SER   AAA O   1 ? 
ATOM   1425 C  CB  . SER   A 1 197 ? -18.185 -19.645 -0.927  1.000 34.894  0 214 SER   AAA CB  1 ? 
ATOM   1426 O  OG  . SER   A 1 197 ? -18.295 -19.703 0.488   1.000 33.754  0 214 SER   AAA OG  1 ? 
ATOM   1427 N  N   . TYR   A 1 198 ? -20.688 -21.234 -1.409  1.000 37.197  0 215 TYR   AAA N   1 ? 
ATOM   1428 C  CA  . TYR   A 1 198 ? -21.939 -21.810 -0.951  1.000 35.283  0 215 TYR   AAA CA  1 ? 
ATOM   1429 C  C   . TYR   A 1 198 ? -23.134 -21.399 -1.810  1.000 36.139  0 215 TYR   AAA C   1 ? 
ATOM   1430 O  O   . TYR   A 1 198 ? -23.076 -20.435 -2.553  1.000 33.186  0 215 TYR   AAA O   1 ? 
ATOM   1431 C  CB  . TYR   A 1 198 ? -22.215 -21.419 0.503   1.000 36.775  0 215 TYR   AAA CB  1 ? 
ATOM   1432 C  CG  . TYR   A 1 198 ? -22.515 -19.970 0.801   1.000 37.573  0 215 TYR   AAA CG  1 ? 
ATOM   1433 C  CD1 . TYR   A 1 198 ? -23.798 -19.467 0.690   1.000 41.716  0 215 TYR   AAA CD1 1 ? 
ATOM   1434 C  CD2 . TYR   A 1 198 ? -21.528 -19.120 1.277   1.000 36.925  0 215 TYR   AAA CD2 1 ? 
ATOM   1435 C  CE1 . TYR   A 1 198 ? -24.087 -18.153 1.018   1.000 41.558  0 215 TYR   AAA CE1 1 ? 
ATOM   1436 C  CE2 . TYR   A 1 198 ? -21.785 -17.801 1.585   1.000 37.249  0 215 TYR   AAA CE2 1 ? 
ATOM   1437 C  CZ  . TYR   A 1 198 ? -23.071 -17.315 1.451   1.000 41.834  0 215 TYR   AAA CZ  1 ? 
ATOM   1438 O  OH  . TYR   A 1 198 ? -23.351 -16.016 1.791   1.000 38.270  0 215 TYR   AAA OH  1 ? 
ATOM   1439 N  N   . GLY   A 1 199 ? -24.248 -22.126 -1.631  1.000 36.036  0 216 GLY   AAA N   1 ? 
ATOM   1440 C  CA  . GLY   A 1 199 ? -25.532 -21.721 -2.175  1.000 37.433  0 216 GLY   AAA CA  1 ? 
ATOM   1441 C  C   . GLY   A 1 199 ? -26.672 -22.580 -1.631  1.000 40.031  0 216 GLY   AAA C   1 ? 
ATOM   1442 O  O   . GLY   A 1 199 ? -26.517 -23.275 -0.622  1.000 41.642  0 216 GLY   AAA O   1 ? 
ATOM   1443 N  N   . ARG   A 1 200 ? -27.797 -22.537 -2.345  1.000 38.660  0 217 ARG   AAA N   1 ? 
ATOM   1444 C  CA  . ARG   A 1 200 ? -29.025 -23.216 -1.861  1.000 41.152  0 217 ARG   AAA CA  1 ? 
ATOM   1445 C  C   . ARG   A 1 200 ? -28.974 -24.735 -2.021  1.000 42.060  0 217 ARG   AAA C   1 ? 
ATOM   1446 O  O   . ARG   A 1 200 ? -28.429 -25.213 -3.030  1.000 41.239  0 217 ARG   AAA O   1 ? 
ATOM   1447 C  CB  . ARG   A 1 200 ? -30.239 -22.653 -2.606  1.000 43.310  0 217 ARG   AAA CB  1 ? 
ATOM   1448 C  CG  . ARG   A 1 200 ? -30.384 -21.141 -2.524  1.000 41.931  0 217 ARG   AAA CG  1 ? 
ATOM   1449 C  CD  . ARG   A 1 200 ? -31.561 -20.659 -3.348  1.000 40.958  0 217 ARG   AAA CD  1 ? 
ATOM   1450 N  NE  . ARG   A 1 200 ? -32.693 -21.571 -3.283  1.000 41.071  0 217 ARG   AAA NE  1 ? 
ATOM   1451 C  CZ  . ARG   A 1 200 ? -33.725 -21.428 -2.460  1.000 43.624  0 217 ARG   AAA CZ  1 ? 
ATOM   1452 N  NH1 . ARG   A 1 200 ? -33.759 -20.418 -1.610  1.000 41.800  0 217 ARG   AAA NH1 1 ? 
ATOM   1453 N  NH2 . ARG   A 1 200 ? -34.722 -22.295 -2.491  1.000 42.289  0 217 ARG   AAA NH2 1 ? 
ATOM   1454 N  N   . SER   A 1 201 ? -29.540 -25.447 -1.050  1.000 41.244  0 218 SER   AAA N   1 ? 
ATOM   1455 C  CA  . SER   A 1 201 ? -29.647 -26.900 -1.097  1.000 40.200  0 218 SER   AAA CA  1 ? 
ATOM   1456 C  C   . SER   A 1 201 ? -30.382 -27.397 -2.343  1.000 41.537  0 218 SER   AAA C   1 ? 
ATOM   1457 O  O   . SER   A 1 201 ? -30.152 -28.528 -2.783  1.000 40.244  0 218 SER   AAA O   1 ? 
ATOM   1458 C  CB  . SER   A 1 201 ? -30.335 -27.393 0.128   1.000 40.592  0 218 SER   AAA CB  1 ? 
ATOM   1459 O  OG  . SER   A 1 201 ? -31.617 -26.798 0.234   1.000 39.789  0 218 SER   AAA OG  1 ? 
ATOM   1460 N  N   . ASP   A 1 202 ? -31.237 -26.542 -2.916  1.000 43.350  0 219 ASP   AAA N   1 ? 
ATOM   1461 C  CA  . ASP   A 1 202 ? -32.013 -26.915 -4.129  1.000 44.095  0 219 ASP   AAA CA  1 ? 
ATOM   1462 C  C   . ASP   A 1 202 ? -31.226 -26.533 -5.387  1.000 42.100  0 219 ASP   AAA C   1 ? 
ATOM   1463 O  O   . ASP   A 1 202 ? -31.797 -26.646 -6.485  1.000 42.287  0 219 ASP   AAA O   1 ? 
ATOM   1464 C  CB  . ASP   A 1 202 ? -33.409 -26.287 -4.100  1.000 43.834  0 219 ASP   AAA CB  1 ? 
ATOM   1465 C  CG  . ASP   A 1 202 ? -33.418 -24.775 -4.246  1.000 44.284  0 219 ASP   AAA CG  1 ? 
ATOM   1466 O  OD1 . ASP   A 1 202 ? -32.330 -24.173 -4.226  1.000 39.786  0 219 ASP   AAA OD1 1 ? 
ATOM   1467 O  OD2 . ASP   A 1 202 ? -34.519 -24.212 -4.377  1.000 50.377  0 219 ASP   AAA OD2 1 ? 
ATOM   1468 N  N   . ALA   A 1 203 ? -29.988 -26.061 -5.224  1.000 45.240  0 220 ALA   AAA N   1 ? 
ATOM   1469 C  CA  . ALA   A 1 203 ? -29.118 -25.720 -6.376  1.000 45.519  0 220 ALA   AAA CA  1 ? 
ATOM   1470 C  C   . ALA   A 1 203 ? -29.758 -24.635 -7.251  1.000 43.389  0 220 ALA   AAA C   1 ? 
ATOM   1471 O  O   . ALA   A 1 203 ? -29.391 -24.546 -8.434  1.000 43.845  0 220 ALA   AAA O   1 ? 
ATOM   1472 C  CB  . ALA   A 1 203 ? -28.813 -26.962 -7.172  1.000 46.466  0 220 ALA   AAA CB  1 ? 
ATOM   1473 N  N   . LYS   A 1 204 ? -30.664 -23.836 -6.687  1.000 43.726  0 221 LYS   AAA N   1 ? 
ATOM   1474 C  CA  . LYS   A 1 204 ? -31.256 -22.713 -7.459  1.000 47.137  0 221 LYS   AAA CA  1 ? 
ATOM   1475 C  C   . LYS   A 1 204 ? -30.243 -21.564 -7.511  1.000 41.179  0 221 LYS   AAA C   1 ? 
ATOM   1476 O  O   . LYS   A 1 204 ? -29.943 -20.994 -6.450  1.000 40.342  0 221 LYS   AAA O   1 ? 
ATOM   1477 C  CB  . LYS   A 1 204 ? -32.584 -22.271 -6.838  1.000 50.269  0 221 LYS   AAA CB  1 ? 
ATOM   1478 C  CG  . LYS   A 1 204 ? -33.813 -22.994 -7.368  1.000 59.415  0 221 LYS   AAA CG  1 ? 
ATOM   1479 C  CD  . LYS   A 1 204 ? -35.099 -22.245 -7.105  1.000 63.484  0 221 LYS   AAA CD  1 ? 
ATOM   1480 C  CE  . LYS   A 1 204 ? -36.309 -23.152 -7.039  1.000 71.409  0 221 LYS   AAA CE  1 ? 
ATOM   1481 N  NZ  . LYS   A 1 204 ? -37.031 -23.006 -5.753  1.000 80.539  0 221 LYS   AAA NZ  1 ? 
ATOM   1482 N  N   . PRO   A 1 205 ? -29.708 -21.216 -8.700  1.000 41.097  0 224 PRO   AAA N   1 ? 
ATOM   1483 C  CA  . PRO   A 1 205 ? -28.756 -20.112 -8.829  1.000 39.226  0 224 PRO   AAA CA  1 ? 
ATOM   1484 C  C   . PRO   A 1 205 ? -29.423 -18.779 -8.450  1.000 41.431  0 224 PRO   AAA C   1 ? 
ATOM   1485 O  O   . PRO   A 1 205 ? -30.615 -18.649 -8.627  1.000 42.842  0 224 PRO   AAA O   1 ? 
ATOM   1486 C  CB  . PRO   A 1 205 ? -28.370 -20.129 -10.316 1.000 37.578  0 224 PRO   AAA CB  1 ? 
ATOM   1487 C  CG  . PRO   A 1 205 ? -28.777 -21.500 -10.802 1.000 41.484  0 224 PRO   AAA CG  1 ? 
ATOM   1488 C  CD  . PRO   A 1 205 ? -29.999 -21.852 -9.982  1.000 41.208  0 224 PRO   AAA CD  1 ? 
ATOM   1489 N  N   . PRO   A 1 206 ? -28.674 -17.791 -7.918  1.000 41.721  0 225 PRO   AAA N   1 ? 
ATOM   1490 C  CA  . PRO   A 1 206 ? -27.210 -17.832 -7.930  1.000 41.981  0 225 PRO   AAA CA  1 ? 
ATOM   1491 C  C   . PRO   A 1 206 ? -26.516 -18.406 -6.686  1.000 37.410  0 225 PRO   AAA C   1 ? 
ATOM   1492 O  O   . PRO   A 1 206 ? -27.201 -18.748 -5.750  1.000 40.834  0 225 PRO   AAA O   1 ? 
ATOM   1493 C  CB  . PRO   A 1 206 ? -26.886 -16.333 -8.016  1.000 42.252  0 225 PRO   AAA CB  1 ? 
ATOM   1494 C  CG  . PRO   A 1 206 ? -27.963 -15.675 -7.183  1.000 41.158  0 225 PRO   AAA CG  1 ? 
ATOM   1495 C  CD  . PRO   A 1 206 ? -29.189 -16.551 -7.337  1.000 44.842  0 225 PRO   AAA CD  1 ? 
ATOM   1496 N  N   . ALA   A 1 207 ? -25.187 -18.517 -6.724  1.000 38.565  0 226 ALA   AAA N   1 ? 
ATOM   1497 C  CA  . ALA   A 1 207 ? -24.391 -18.978 -5.598  1.000 36.239  0 226 ALA   AAA CA  1 ? 
ATOM   1498 C  C   . ALA   A 1 207 ? -23.334 -17.933 -5.243  1.000 38.826  0 226 ALA   AAA C   1 ? 
ATOM   1499 O  O   . ALA   A 1 207 ? -23.021 -17.031 -6.037  1.000 35.662  0 226 ALA   AAA O   1 ? 
ATOM   1500 C  CB  . ALA   A 1 207 ? -23.743 -20.277 -5.950  1.000 34.823  0 226 ALA   AAA CB  1 ? 
ATOM   1501 N  N   . VAL   A 1 208 ? -22.781 -18.091 -4.034  1.000 36.278  0 227 VAL   AAA N   1 ? 
ATOM   1502 C  CA  . VAL   A 1 208 ? -21.815 -17.151 -3.495  1.000 35.602  0 227 VAL   AAA CA  1 ? 
ATOM   1503 C  C   . VAL   A 1 208 ? -20.410 -17.730 -3.660  1.000 36.394  0 227 VAL   AAA C   1 ? 
ATOM   1504 O  O   . VAL   A 1 208 ? -20.177 -18.893 -3.329  1.000 36.499  0 227 VAL   AAA O   1 ? 
ATOM   1505 C  CB  . VAL   A 1 208 ? -22.155 -16.834 -2.028  1.000 35.610  0 227 VAL   AAA CB  1 ? 
ATOM   1506 C  CG1 . VAL   A 1 208 ? -21.132 -15.912 -1.394  1.000 38.039  0 227 VAL   AAA CG1 1 ? 
ATOM   1507 C  CG2 . VAL   A 1 208 ? -23.543 -16.231 -1.912  1.000 35.478  0 227 VAL   AAA CG2 1 ? 
ATOM   1508 N  N   . PHE   A 1 209 ? -19.498 -16.886 -4.169  1.000 38.215  0 228 PHE   AAA N   1 ? 
ATOM   1509 C  CA  . PHE   A 1 209 ? -18.101 -17.224 -4.385  1.000 38.486  0 228 PHE   AAA CA  1 ? 
ATOM   1510 C  C   . PHE   A 1 209 ? -17.204 -16.217 -3.677  1.000 36.294  0 228 PHE   AAA C   1 ? 
ATOM   1511 O  O   . PHE   A 1 209 ? -17.472 -15.028 -3.723  1.000 37.141  0 228 PHE   AAA O   1 ? 
ATOM   1512 C  CB  . PHE   A 1 209 ? -17.725 -17.156 -5.865  1.000 38.715  0 228 PHE   AAA CB  1 ? 
ATOM   1513 C  CG  . PHE   A 1 209 ? -18.202 -18.306 -6.708  1.000 38.568  0 228 PHE   AAA CG  1 ? 
ATOM   1514 C  CD1 . PHE   A 1 209 ? -19.540 -18.645 -6.756  1.000 38.323  0 228 PHE   AAA CD1 1 ? 
ATOM   1515 C  CD2 . PHE   A 1 209 ? -17.312 -19.033 -7.476  1.000 38.694  0 228 PHE   AAA CD2 1 ? 
ATOM   1516 C  CE1 . PHE   A 1 209 ? -19.979 -19.671 -7.568  1.000 37.041  0 228 PHE   AAA CE1 1 ? 
ATOM   1517 C  CE2 . PHE   A 1 209 ? -17.759 -20.062 -8.286  1.000 38.565  0 228 PHE   AAA CE2 1 ? 
ATOM   1518 C  CZ  . PHE   A 1 209 ? -19.086 -20.383 -8.324  1.000 36.962  0 228 PHE   AAA CZ  1 ? 
ATOM   1519 N  N   . THR   A 1 210 ? -16.110 -16.685 -3.072  1.000 36.186  0 229 THR   AAA N   1 ? 
ATOM   1520 C  CA  . THR   A 1 210 ? -15.130 -15.777 -2.502  1.000 38.757  0 229 THR   AAA CA  1 ? 
ATOM   1521 C  C   . THR   A 1 210 ? -14.536 -14.873 -3.596  1.000 39.126  0 229 THR   AAA C   1 ? 
ATOM   1522 O  O   . THR   A 1 210 ? -14.113 -15.353 -4.639  1.000 39.249  0 229 THR   AAA O   1 ? 
ATOM   1523 C  CB  . THR   A 1 210 ? -14.067 -16.568 -1.731  1.000 37.478  0 229 THR   AAA CB  1 ? 
ATOM   1524 O  OG1 . THR   A 1 210 ? -14.731 -17.451 -0.819  1.000 36.889  0 229 THR   AAA OG1 1 ? 
ATOM   1525 C  CG2 . THR   A 1 210 ? -13.128 -15.640 -0.995  1.000 39.736  0 229 THR   AAA CG2 1 ? 
ATOM   1526 N  N   . ARG   A 1 211 ? -14.495 -13.555 -3.358  1.000 42.273  0 230 ARG   AAA N   1 ? 
ATOM   1527 C  CA  . ARG   A 1 211 ? -13.846 -12.615 -4.266  1.000 44.039  0 230 ARG   AAA CA  1 ? 
ATOM   1528 C  C   . ARG   A 1 211 ? -12.344 -12.584 -3.975  1.000 45.587  0 230 ARG   AAA C   1 ? 
ATOM   1529 O  O   . ARG   A 1 211 ? -11.902 -11.954 -3.002  1.000 43.397  0 230 ARG   AAA O   1 ? 
ATOM   1530 C  CB  . ARG   A 1 211 ? -14.442 -11.208 -4.156  1.000 44.711  0 230 ARG   AAA CB  1 ? 
ATOM   1531 C  CG  . ARG   A 1 211 ? -13.890 -10.217 -5.177  1.000 45.634  0 230 ARG   AAA CG  1 ? 
ATOM   1532 C  CD  . ARG   A 1 211 ? -14.222 -8.753  -4.920  1.000 48.287  0 230 ARG   AAA CD  1 ? 
ATOM   1533 N  NE  . ARG   A 1 211 ? -15.632 -8.395  -5.051  1.000 49.427  0 230 ARG   AAA NE  1 ? 
ATOM   1534 C  CZ  . ARG   A 1 211 ? -16.270 -8.164  -6.196  1.000 50.119  0 230 ARG   AAA CZ  1 ? 
ATOM   1535 N  NH1 . ARG   A 1 211 ? -15.631 -8.232  -7.349  1.000 49.380  0 230 ARG   AAA NH1 1 ? 
ATOM   1536 N  NH2 . ARG   A 1 211 ? -17.558 -7.862  -6.187  1.000 51.848  0 230 ARG   AAA NH2 1 ? 
ATOM   1537 N  N   . ILE   A 1 212 ? -11.567 -13.257 -4.849  1.000 43.495  0 231 ILE   AAA N   1 ? 
ATOM   1538 C  CA  . ILE   A 1 212 ? -10.136 -13.464 -4.636  1.000 43.595  0 231 ILE   AAA CA  1 ? 
ATOM   1539 C  C   . ILE   A 1 212 ? -9.406  -12.117 -4.498  1.000 45.971  0 231 ILE   AAA C   1 ? 
ATOM   1540 O  O   . ILE   A 1 212 ? -8.495  -11.995 -3.673  1.000 45.590  0 231 ILE   AAA O   1 ? 
ATOM   1541 C  CB  . ILE   A 1 212 ? -9.527  -14.356 -5.751  1.000 44.121  0 231 ILE   AAA CB  1 ? 
ATOM   1542 C  CG1 . ILE   A 1 212 ? -10.049 -15.797 -5.690  1.000 48.451  0 231 ILE   AAA CG1 1 ? 
ATOM   1543 C  CG2 . ILE   A 1 212 ? -8.007  -14.336 -5.708  1.000 45.021  0 231 ILE   AAA CG2 1 ? 
ATOM   1544 C  CD1 . ILE   A 1 212 ? -9.635  -16.695 -6.862  1.000 47.748  0 231 ILE   AAA CD1 1 ? 
ATOM   1545 N  N   . SER   A 1 213 ? -9.783  -11.100 -5.296  1.000 44.342  0 232 SER   AAA N   1 ? 
ATOM   1546 C  CA  . SER   A 1 213 ? -9.015  -9.863  -5.350  1.000 45.319  0 232 SER   AAA CA  1 ? 
ATOM   1547 C  C   . SER   A 1 213 ? -8.898  -9.249  -3.955  1.000 45.861  0 232 SER   AAA C   1 ? 
ATOM   1548 O  O   . SER   A 1 213 ? -7.848  -8.725  -3.599  1.000 45.698  0 232 SER   AAA O   1 ? 
ATOM   1549 C  CB  . SER   A 1 213 ? -9.568  -8.870  -6.374  1.000 47.148  0 232 SER   AAA CB  1 ? 
ATOM   1550 O  OG  . SER   A 1 213 ? -10.889 -8.423  -6.059  1.000 45.363  0 232 SER   AAA OG  1 ? 
ATOM   1551 N  N   . HIS   A 1 214 ? -9.961  -9.334  -3.150  1.000 43.942  0 233 HIS   AAA N   1 ? 
ATOM   1552 C  CA  . HIS   A 1 214 ? -9.940  -8.762  -1.810  1.000 44.253  0 233 HIS   AAA CA  1 ? 
ATOM   1553 C  C   . HIS   A 1 214 ? -8.856  -9.412  -0.948  1.000 42.537  0 233 HIS   AAA C   1 ? 
ATOM   1554 O  O   . HIS   A 1 214 ? -8.330  -8.778  -0.046  1.000 42.605  0 233 HIS   AAA O   1 ? 
ATOM   1555 C  CB  . HIS   A 1 214 ? -11.342 -8.822  -1.183  1.000 46.342  0 233 HIS   AAA CB  1 ? 
ATOM   1556 C  CG  . HIS   A 1 214 ? -11.453 -8.180  0.156   1.000 47.845  0 233 HIS   AAA CG  1 ? 
ATOM   1557 N  ND1 . HIS   A 1 214 ? -11.856 -6.872  0.339   1.000 52.633  0 233 HIS   AAA ND1 1 ? 
ATOM   1558 C  CD2 . HIS   A 1 214 ? -11.152 -8.660  1.371   1.000 49.959  0 233 HIS   AAA CD2 1 ? 
ATOM   1559 C  CE1 . HIS   A 1 214 ? -11.808 -6.589  1.637   1.000 55.704  0 233 HIS   AAA CE1 1 ? 
ATOM   1560 N  NE2 . HIS   A 1 214 ? -11.383 -7.667  2.286   1.000 51.843  0 233 HIS   AAA NE2 1 ? 
ATOM   1561 N  N   . TYR   A 1 215 ? -8.497  -10.667 -1.242  1.000 43.389  0 234 TYR   AAA N   1 ? 
ATOM   1562 C  CA  . TYR   A 1 215 ? -7.608  -11.446 -0.391  1.000 46.063  0 234 TYR   AAA CA  1 ? 
ATOM   1563 C  C   . TYR   A 1 215 ? -6.182  -11.473 -0.924  1.000 46.253  0 234 TYR   AAA C   1 ? 
ATOM   1564 O  O   . TYR   A 1 215 ? -5.346  -12.087 -0.273  1.000 46.032  0 234 TYR   AAA O   1 ? 
ATOM   1565 C  CB  . TYR   A 1 215 ? -8.176  -12.865 -0.223  1.000 44.729  0 234 TYR   AAA CB  1 ? 
ATOM   1566 C  CG  . TYR   A 1 215 ? -9.499  -12.811 0.479   1.000 42.663  0 234 TYR   AAA CG  1 ? 
ATOM   1567 C  CD1 . TYR   A 1 215 ? -9.556  -12.633 1.849   1.000 44.655  0 234 TYR   AAA CD1 1 ? 
ATOM   1568 C  CD2 . TYR   A 1 215 ? -10.683 -12.778 -0.243  1.000 43.076  0 234 TYR   AAA CD2 1 ? 
ATOM   1569 C  CE1 . TYR   A 1 215 ? -10.770 -12.495 2.501   1.000 47.045  0 234 TYR   AAA CE1 1 ? 
ATOM   1570 C  CE2 . TYR   A 1 215 ? -11.907 -12.631 0.387   1.000 43.060  0 234 TYR   AAA CE2 1 ? 
ATOM   1571 C  CZ  . TYR   A 1 215 ? -11.943 -12.488 1.763   1.000 44.963  0 234 TYR   AAA CZ  1 ? 
ATOM   1572 O  OH  . TYR   A 1 215 ? -13.117 -12.330 2.408   1.000 45.474  0 234 TYR   AAA OH  1 ? 
ATOM   1573 N  N   . GLN   A 1 216 ? -5.899  -10.793 -2.055  1.000 51.446  0 235 GLN   AAA N   1 ? 
ATOM   1574 C  CA  . GLN   A 1 216 ? -4.581  -10.839 -2.683  1.000 54.859  0 235 GLN   AAA CA  1 ? 
ATOM   1575 C  C   . GLN   A 1 216 ? -3.487  -10.403 -1.706  1.000 53.780  0 235 GLN   AAA C   1 ? 
ATOM   1576 O  O   . GLN   A 1 216 ? -2.473  -11.082 -1.630  1.000 55.462  0 235 GLN   AAA O   1 ? 
ATOM   1577 C  CB  . GLN   A 1 216 ? -4.473  -10.000 -3.961  1.000 62.681  0 235 GLN   AAA CB  1 ? 
ATOM   1578 C  CG  . GLN   A 1 216 ? -4.882  -10.722 -5.245  1.000 71.159  0 235 GLN   AAA CG  1 ? 
ATOM   1579 C  CD  . GLN   A 1 216 ? -4.129  -12.008 -5.483  1.000 78.309  0 235 GLN   AAA CD  1 ? 
ATOM   1580 O  OE1 . GLN   A 1 216 ? -4.709  -13.043 -5.813  1.000 84.963  0 235 GLN   AAA OE1 1 ? 
ATOM   1581 N  NE2 . GLN   A 1 216 ? -2.817  -11.950 -5.320  1.000 85.860  0 235 GLN   AAA NE2 1 ? 
ATOM   1582 N  N   . PRO   A 1 217 ? -3.586  -9.274  -0.960  1.000 53.038  0 236 PRO   AAA N   1 ? 
ATOM   1583 C  CA  . PRO   A 1 217 ? -2.588  -8.964  0.065   1.000 53.154  0 236 PRO   AAA CA  1 ? 
ATOM   1584 C  C   . PRO   A 1 217 ? -2.347  -10.114 1.046   1.000 53.791  0 236 PRO   AAA C   1 ? 
ATOM   1585 O  O   . PRO   A 1 217 ? -1.194  -10.473 1.276   1.000 52.656  0 236 PRO   AAA O   1 ? 
ATOM   1586 C  CB  . PRO   A 1 217 ? -3.144  -7.713  0.762   1.000 53.806  0 236 PRO   AAA CB  1 ? 
ATOM   1587 C  CG  . PRO   A 1 217 ? -3.976  -7.053  -0.304  1.000 53.451  0 236 PRO   AAA CG  1 ? 
ATOM   1588 C  CD  . PRO   A 1 217 ? -4.571  -8.192  -1.111  1.000 53.575  0 236 PRO   AAA CD  1 ? 
ATOM   1589 N  N   . TRP   A 1 218 ? -3.419  -10.697 1.610   1.000 52.417  0 237 TRP   AAA N   1 ? 
ATOM   1590 C  CA  . TRP   A 1 218 ? -3.284  -11.851 2.495   1.000 53.285  0 237 TRP   AAA CA  1 ? 
ATOM   1591 C  C   . TRP   A 1 218 ? -2.593  -13.033 1.798   1.000 51.177  0 237 TRP   AAA C   1 ? 
ATOM   1592 O  O   . TRP   A 1 218 ? -1.681  -13.631 2.361   1.000 53.462  0 237 TRP   AAA O   1 ? 
ATOM   1593 C  CB  . TRP   A 1 218 ? -4.636  -12.293 3.077   1.000 53.175  0 237 TRP   AAA CB  1 ? 
ATOM   1594 C  CG  . TRP   A 1 218 ? -4.515  -13.504 3.956   1.000 49.914  0 237 TRP   AAA CG  1 ? 
ATOM   1595 C  CD1 . TRP   A 1 218 ? -3.994  -13.553 5.217   1.000 50.353  0 237 TRP   AAA CD1 1 ? 
ATOM   1596 C  CD2 . TRP   A 1 218 ? -4.842  -14.862 3.606   1.000 45.598  0 237 TRP   AAA CD2 1 ? 
ATOM   1597 N  NE1 . TRP   A 1 218 ? -4.010  -14.838 5.685   1.000 50.693  0 237 TRP   AAA NE1 1 ? 
ATOM   1598 C  CE2 . TRP   A 1 218 ? -4.534  -15.661 4.725   1.000 44.721  0 237 TRP   AAA CE2 1 ? 
ATOM   1599 C  CE3 . TRP   A 1 218 ? -5.392  -15.476 2.470   1.000 44.971  0 237 TRP   AAA CE3 1 ? 
ATOM   1600 C  CZ2 . TRP   A 1 218 ? -4.743  -17.037 4.733   1.000 43.232  0 237 TRP   AAA CZ2 1 ? 
ATOM   1601 C  CZ3 . TRP   A 1 218 ? -5.604  -16.839 2.479   1.000 41.023  0 237 TRP   AAA CZ3 1 ? 
ATOM   1602 C  CH2 . TRP   A 1 218 ? -5.272  -17.606 3.597   1.000 40.771  0 237 TRP   AAA CH2 1 ? 
ATOM   1603 N  N   . ILE   A 1 219 ? -3.005  -13.398 0.581   1.000 47.624  0 238 ILE   AAA N   1 ? 
ATOM   1604 C  CA  . ILE   A 1 219 ? -2.344  -14.496 -0.122  1.000 47.198  0 238 ILE   AAA CA  1 ? 
ATOM   1605 C  C   . ILE   A 1 219 ? -0.827  -14.261 -0.210  1.000 51.619  0 238 ILE   AAA C   1 ? 
ATOM   1606 O  O   . ILE   A 1 219 ? -0.049  -15.161 0.103   1.000 48.974  0 238 ILE   AAA O   1 ? 
ATOM   1607 C  CB  . ILE   A 1 219 ? -2.999  -14.764 -1.491  1.000 44.508  0 238 ILE   AAA CB  1 ? 
ATOM   1608 C  CG1 . ILE   A 1 219 ? -4.462  -15.182 -1.321  1.000 43.379  0 238 ILE   AAA CG1 1 ? 
ATOM   1609 C  CG2 . ILE   A 1 219 ? -2.224  -15.816 -2.271  1.000 44.132  0 238 ILE   AAA CG2 1 ? 
ATOM   1610 C  CD1 . ILE   A 1 219 ? -5.298  -15.068 -2.579  1.000 44.597  0 238 ILE   AAA CD1 1 ? 
ATOM   1611 N  N   . ASN   A 1 220 ? -0.397  -13.047 -0.588  1.000 55.186  0 239 ASN   AAA N   1 ? 
ATOM   1612 C  CA  . ASN   A 1 220 ? 1.012   -12.764 -0.820  1.000 56.570  0 239 ASN   AAA CA  1 ? 
ATOM   1613 C  C   . ASN   A 1 220 ? 1.796   -12.762 0.486   1.000 54.541  0 239 ASN   AAA C   1 ? 
ATOM   1614 O  O   . ASN   A 1 220 ? 2.964   -13.115 0.473   1.000 54.741  0 239 ASN   AAA O   1 ? 
ATOM   1615 C  CB  . ASN   A 1 220 ? 1.216   -11.445 -1.562  1.000 57.802  0 239 ASN   AAA CB  1 ? 
ATOM   1616 C  CG  . ASN   A 1 220 ? 0.745   -11.518 -2.997  1.000 60.039  0 239 ASN   AAA CG  1 ? 
ATOM   1617 O  OD1 . ASN   A 1 220 ? 0.641   -12.600 -3.574  1.000 63.181  0 239 ASN   AAA OD1 1 ? 
ATOM   1618 N  ND2 . ASN   A 1 220 ? 0.476   -10.365 -3.587  1.000 64.292  0 239 ASN   AAA ND2 1 ? 
ATOM   1619 N  N   . GLN   A 1 221 ? 1.139   -12.407 1.596   1.000 55.062  0 240 GLN   AAA N   1 ? 
ATOM   1620 C  CA  . GLN   A 1 221 ? 1.714   -12.483 2.936   1.000 60.170  0 240 GLN   AAA CA  1 ? 
ATOM   1621 C  C   . GLN   A 1 221 ? 2.060   -13.932 3.308   1.000 59.033  0 240 GLN   AAA C   1 ? 
ATOM   1622 O  O   . GLN   A 1 221 ? 3.137   -14.193 3.848   1.000 57.828  0 240 GLN   AAA O   1 ? 
ATOM   1623 C  CB  . GLN   A 1 221 ? 0.720   -11.855 3.916   1.000 65.187  0 240 GLN   AAA CB  1 ? 
ATOM   1624 C  CG  . GLN   A 1 221 ? 1.208   -11.659 5.345   1.000 71.264  0 240 GLN   AAA CG  1 ? 
ATOM   1625 C  CD  . GLN   A 1 221 ? 0.169   -10.852 6.088   1.000 79.478  0 240 GLN   AAA CD  1 ? 
ATOM   1626 O  OE1 . GLN   A 1 221 ? 0.381   -9.688  6.416   1.000 80.170  0 240 GLN   AAA OE1 1 ? 
ATOM   1627 N  NE2 . GLN   A 1 221 ? -1.005  -11.438 6.284   1.000 86.860  0 240 GLN   AAA NE2 1 ? 
ATOM   1628 N  N   . ILE   A 1 222 ? 1.149   -14.880 3.026   1.000 56.504  0 241 ILE   AAA N   1 ? 
ATOM   1629 C  CA  . ILE   A 1 222 ? 1.369   -16.274 3.378   1.000 53.822  0 241 ILE   AAA CA  1 ? 
ATOM   1630 C  C   . ILE   A 1 222 ? 2.483   -16.854 2.496   1.000 54.941  0 241 ILE   AAA C   1 ? 
ATOM   1631 O  O   . ILE   A 1 222 ? 3.385   -17.513 3.005   1.000 53.317  0 241 ILE   AAA O   1 ? 
ATOM   1632 C  CB  . ILE   A 1 222 ? 0.045   -17.065 3.307   1.000 53.870  0 241 ILE   AAA CB  1 ? 
ATOM   1633 C  CG1 . ILE   A 1 222 ? -0.951  -16.609 4.382   1.000 53.246  0 241 ILE   AAA CG1 1 ? 
ATOM   1634 C  CG2 . ILE   A 1 222 ? 0.294   -18.568 3.378   1.000 54.062  0 241 ILE   AAA CG2 1 ? 
ATOM   1635 C  CD1 . ILE   A 1 222 ? -0.473  -16.799 5.814   1.000 56.154  0 241 ILE   AAA CD1 1 ? 
ATOM   1636 N  N   . LEU   A 1 223 ? 2.445   -16.562 1.189   1.000 53.801  0 242 LEU   AAA N   1 ? 
ATOM   1637 C  CA  . LEU   A 1 223 ? 3.395   -17.097 0.224   1.000 52.854  0 242 LEU   AAA CA  1 ? 
ATOM   1638 C  C   . LEU   A 1 223 ? 4.832   -16.658 0.520   1.000 61.821  0 242 LEU   AAA C   1 ? 
ATOM   1639 O  O   . LEU   A 1 223 ? 5.754   -17.464 0.393   1.000 61.931  0 242 LEU   AAA O   1 ? 
ATOM   1640 C  CB  . LEU   A 1 223 ? 2.993   -16.646 -1.184  1.000 51.019  0 242 LEU   AAA CB  1 ? 
ATOM   1641 C  CG  . LEU   A 1 223 ? 1.690   -17.221 -1.735  1.000 52.125  0 242 LEU   AAA CG  1 ? 
ATOM   1642 C  CD1 . LEU   A 1 223 ? 1.564   -16.930 -3.223  1.000 53.822  0 242 LEU   AAA CD1 1 ? 
ATOM   1643 C  CD2 . LEU   A 1 223 ? 1.574   -18.717 -1.467  1.000 51.406  0 242 LEU   AAA CD2 1 ? 
ATOM   1644 N  N   . GLN   A 1 224 ? 5.036   -15.388 0.895   1.000 64.855  0 243 GLN   AAA N   1 ? 
ATOM   1645 C  CA  . GLN   A 1 224 ? 6.378   -14.895 1.176   1.000 75.375  0 243 GLN   AAA CA  1 ? 
ATOM   1646 C  C   . GLN   A 1 224 ? 6.878   -15.333 2.555   1.000 69.114  0 243 GLN   AAA C   1 ? 
ATOM   1647 O  O   . GLN   A 1 224 ? 8.047   -15.145 2.852   1.000 81.562  0 243 GLN   AAA O   1 ? 
ATOM   1648 C  CB  . GLN   A 1 224 ? 6.440   -13.369 1.071   1.000 83.871  0 243 GLN   AAA CB  1 ? 
ATOM   1649 C  CG  . GLN   A 1 224 ? 6.369   -12.852 -0.359  1.000 90.456  0 243 GLN   AAA CG  1 ? 
ATOM   1650 C  CD  . GLN   A 1 224 ? 6.120   -11.363 -0.386  1.000 99.728  0 243 GLN   AAA CD  1 ? 
ATOM   1651 O  OE1 . GLN   A 1 224 ? 6.834   -10.583 0.242   1.000 104.041 0 243 GLN   AAA OE1 1 ? 
ATOM   1652 N  NE2 . GLN   A 1 224 ? 5.078   -10.952 -1.093  1.000 103.181 0 243 GLN   AAA NE2 1 ? 
ATOM   1653 N  N   . ALA   A 1 225 ? 6.011   -15.898 3.396   1.000 64.681  0 244 ALA   AAA N   1 ? 
ATOM   1654 C  CA  . ALA   A 1 225 ? 6.395   -16.328 4.730   1.000 68.553  0 244 ALA   AAA CA  1 ? 
ATOM   1655 C  C   . ALA   A 1 225 ? 6.611   -17.847 4.807   1.000 69.374  0 244 ALA   AAA C   1 ? 
ATOM   1656 O  O   . ALA   A 1 225 ? 6.999   -18.348 5.861   1.000 68.274  0 244 ALA   AAA O   1 ? 
ATOM   1657 C  CB  . ALA   A 1 225 ? 5.333   -15.872 5.705   1.000 69.458  0 244 ALA   AAA CB  1 ? 
ATOM   1658 N  N   . ASN   A 1 226 ? 6.367   -18.579 3.706   1.000 68.550  0 245 ASN   AAA N   1 ? 
ATOM   1659 C  CA  . ASN   A 1 226 ? 6.387   -20.040 3.706   1.000 66.532  0 245 ASN   AAA CA  1 ? 
ATOM   1660 C  C   . ASN   A 1 226 ? 6.836   -20.580 2.333   1.000 63.768  0 245 ASN   AAA C   1 ? 
ATOM   1661 O  O   . ASN   A 1 226 ? 6.667   -21.778 2.106   1.000 58.115  0 245 ASN   AAA O   1 ? 
ATOM   1662 C  CB  . ASN   A 1 226 ? 5.008   -20.597 4.076   1.000 64.116  0 245 ASN   AAA CB  1 ? 
ATOM   1663 C  CG  . ASN   A 1 226 ? 4.594   -20.326 5.510   1.000 66.753  0 245 ASN   AAA CG  1 ? 
ATOM   1664 O  OD1 . ASN   A 1 226 ? 4.985   -21.055 6.424   1.000 70.519  0 245 ASN   AAA OD1 1 ? 
ATOM   1665 N  ND2 . ASN   A 1 226 ? 3.761   -19.317 5.711   1.000 67.900  0 245 ASN   AAA ND2 1 ? 
ATOM   1666 O  OXT . ASN   A 1 226 ? 7.334   -19.788 1.523   1.000 64.060  0 245 ASN   AAA OXT 1 ? 
HETATM 1667 C  C1  . NAG   B 2 .   ? -14.118 -43.668 -15.019 1.000 59.610  0 1   NAG   AbA C1  1 ? 
HETATM 1668 C  C2  . NAG   B 2 .   ? -15.116 -44.030 -16.121 1.000 65.650  0 1   NAG   AbA C2  1 ? 
HETATM 1669 C  C3  . NAG   B 2 .   ? -16.061 -45.154 -15.667 1.000 69.237  0 1   NAG   AbA C3  1 ? 
HETATM 1670 C  C4  . NAG   B 2 .   ? -15.282 -46.365 -15.152 1.000 71.845  0 1   NAG   AbA C4  1 ? 
HETATM 1671 C  C5  . NAG   B 2 .   ? -14.321 -45.872 -14.071 1.000 71.553  0 1   NAG   AbA C5  1 ? 
HETATM 1672 C  C6  . NAG   B 2 .   ? -13.435 -46.951 -13.475 1.000 73.367  0 1   NAG   AbA C6  1 ? 
HETATM 1673 C  C7  . NAG   B 2 .   ? -15.623 -42.032 -17.536 1.000 68.853  0 1   NAG   AbA C7  1 ? 
HETATM 1674 C  C8  . NAG   B 2 .   ? -14.347 -42.224 -18.312 1.000 65.766  0 1   NAG   AbA C8  1 ? 
HETATM 1675 N  N2  . NAG   B 2 .   ? -15.858 -42.845 -16.498 1.000 64.884  0 1   NAG   AbA N2  1 ? 
HETATM 1676 O  O3  . NAG   B 2 .   ? -16.934 -45.518 -16.733 1.000 67.611  0 1   NAG   AbA O3  1 ? 
HETATM 1677 O  O4  . NAG   B 2 .   ? -16.159 -47.362 -14.614 1.000 78.436  0 1   NAG   AbA O4  1 ? 
HETATM 1678 O  O5  . NAG   B 2 .   ? -13.453 -44.862 -14.634 1.000 65.989  0 1   NAG   AbA O5  1 ? 
HETATM 1679 O  O6  . NAG   B 2 .   ? -12.441 -47.396 -14.383 1.000 74.685  0 1   NAG   AbA O6  1 ? 
HETATM 1680 O  O7  . NAG   B 2 .   ? -16.426 -41.148 -17.825 1.000 69.050  0 1   NAG   AbA O7  1 ? 
HETATM 1681 C  C1  . NAG   B 2 .   ? -16.733 -48.344 -15.543 1.000 84.694  0 2   NAG   AbA C1  1 ? 
HETATM 1682 C  C2  . NAG   B 2 .   ? -16.760 -49.726 -14.872 1.000 89.998  0 2   NAG   AbA C2  1 ? 
HETATM 1683 C  C3  . NAG   B 2 .   ? -17.618 -50.737 -15.643 1.000 96.772  0 2   NAG   AbA C3  1 ? 
HETATM 1684 C  C4  . NAG   B 2 .   ? -18.966 -50.133 -16.013 1.000 96.317  0 2   NAG   AbA C4  1 ? 
HETATM 1685 C  C5  . NAG   B 2 .   ? -18.691 -48.882 -16.838 1.000 95.533  0 2   NAG   AbA C5  1 ? 
HETATM 1686 C  C6  . NAG   B 2 .   ? -19.945 -48.221 -17.365 1.000 98.559  0 2   NAG   AbA C6  1 ? 
HETATM 1687 C  C7  . NAG   B 2 .   ? -14.747 -50.240 -13.574 1.000 85.510  0 2   NAG   AbA C7  1 ? 
HETATM 1688 C  C8  . NAG   B 2 .   ? -13.413 -50.925 -13.579 1.000 87.008  0 2   NAG   AbA C8  1 ? 
HETATM 1689 N  N2  . NAG   B 2 .   ? -15.413 -50.241 -14.727 1.000 87.397  0 2   NAG   AbA N2  1 ? 
HETATM 1690 O  O3  . NAG   B 2 .   ? -17.796 -51.932 -14.892 1.000 103.149 0 2   NAG   AbA O3  1 ? 
HETATM 1691 O  O4  . NAG   B 2 .   ? -19.753 -51.068 -16.753 1.000 106.392 0 2   NAG   AbA O4  1 ? 
HETATM 1692 O  O5  . NAG   B 2 .   ? -18.014 -47.922 -15.995 1.000 87.779  0 2   NAG   AbA O5  1 ? 
HETATM 1693 O  O6  . NAG   B 2 .   ? -19.649 -46.992 -18.030 1.000 96.604  0 2   NAG   AbA O6  1 ? 
HETATM 1694 O  O7  . NAG   B 2 .   ? -15.205 -49.703 -12.570 1.000 80.020  0 2   NAG   AbA O7  1 ? 
HETATM 1695 C  C1  . NAG   C 3 .   ? -19.112 -15.048 13.394  1.000 67.448  0 301 NAG   AAA C1  1 ? 
HETATM 1696 C  C2  . NAG   C 3 .   ? -18.465 -14.758 14.760  1.000 71.256  0 301 NAG   AAA C2  1 ? 
HETATM 1697 C  C3  . NAG   C 3 .   ? -19.422 -14.122 15.776  1.000 69.193  0 301 NAG   AAA C3  1 ? 
HETATM 1698 C  C4  . NAG   C 3 .   ? -20.524 -13.266 15.155  1.000 70.248  0 301 NAG   AAA C4  1 ? 
HETATM 1699 C  C5  . NAG   C 3 .   ? -21.186 -14.058 14.027  1.000 68.911  0 301 NAG   AAA C5  1 ? 
HETATM 1700 C  C6  . NAG   C 3 .   ? -22.410 -13.408 13.399  1.000 69.835  0 301 NAG   AAA C6  1 ? 
HETATM 1701 C  C7  . NAG   C 3 .   ? -16.657 -16.440 15.148  1.000 85.394  0 301 NAG   AAA C7  1 ? 
HETATM 1702 C  C8  . NAG   C 3 .   ? -16.238 -17.574 16.037  1.000 88.274  0 301 NAG   AAA C8  1 ? 
HETATM 1703 N  N2  . NAG   C 3 .   ? -17.897 -15.963 15.345  1.000 78.378  0 301 NAG   AAA N2  1 ? 
HETATM 1704 O  O3  . NAG   C 3 .   ? -18.619 -13.337 16.645  1.000 67.669  0 301 NAG   AAA O3  1 ? 
HETATM 1705 O  O4  . NAG   C 3 .   ? -21.463 -12.874 16.167  1.000 68.440  0 301 NAG   AAA O4  1 ? 
HETATM 1706 O  O5  . NAG   C 3 .   ? -20.201 -14.226 12.986  1.000 67.276  0 301 NAG   AAA O5  1 ? 
HETATM 1707 O  O6  . NAG   C 3 .   ? -22.093 -12.442 12.388  1.000 70.072  0 301 NAG   AAA O6  1 ? 
HETATM 1708 O  O7  . NAG   C 3 .   ? -15.910 -16.001 14.278  1.000 85.131  0 301 NAG   AAA O7  1 ? 
HETATM 1709 C  C4  . A1IJ3 D 4 .   ? -22.981 -25.266 -2.979  1.000 39.370  0 302 A1IJ3 AAA C4  1 ? 
HETATM 1710 C  C5  . A1IJ3 D 4 .   ? -23.093 -24.456 -4.119  1.000 42.910  0 302 A1IJ3 AAA C5  1 ? 
HETATM 1711 C  C6  . A1IJ3 D 4 .   ? -24.357 -24.151 -4.630  1.000 41.660  0 302 A1IJ3 AAA C6  1 ? 
HETATM 1712 C  C7  . A1IJ3 D 4 .   ? -21.866 -23.870 -4.776  1.000 43.280  0 302 A1IJ3 AAA C7  1 ? 
HETATM 1713 C  C15 . A1IJ3 D 4 .   ? -26.501 -26.771 1.497   1.000 47.930  0 302 A1IJ3 AAA C15 1 ? 
HETATM 1714 C  C20 . A1IJ3 D 4 .   ? -25.584 -21.410 3.106   1.000 56.240  0 302 A1IJ3 AAA C20 1 ? 
HETATM 1715 C  C21 . A1IJ3 D 4 .   ? -24.579 -21.361 4.080   1.000 57.310  0 302 A1IJ3 AAA C21 1 ? 
HETATM 1716 C  C22 . A1IJ3 D 4 .   ? -23.772 -22.490 4.286   1.000 57.710  0 302 A1IJ3 AAA C22 1 ? 
HETATM 1717 C  C26 . A1IJ3 D 4 .   ? -24.295 -18.055 5.425   1.000 60.190  0 302 A1IJ3 AAA C26 1 ? 
HETATM 1718 C  C28 . A1IJ3 D 4 .   ? -24.146 -20.218 6.138   1.000 65.310  0 302 A1IJ3 AAA C28 1 ? 
HETATM 1719 O  O29 . A1IJ3 D 4 .   ? -24.002 -21.178 6.931   1.000 55.570  0 302 A1IJ3 AAA O29 1 ? 
HETATM 1720 N  N27 . A1IJ3 D 4 .   ? -23.773 -18.974 6.447   1.000 60.260  0 302 A1IJ3 AAA N27 1 ? 
HETATM 1721 C  C25 . A1IJ3 D 4 .   ? -24.976 -18.981 4.433   1.000 59.630  0 302 A1IJ3 AAA C25 1 ? 
HETATM 1722 N  N24 . A1IJ3 D 4 .   ? -24.394 -20.257 4.806   1.000 53.560  0 302 A1IJ3 AAA N24 1 ? 
HETATM 1723 C  C19 . A1IJ3 D 4 .   ? -25.785 -22.568 2.352   1.000 46.740  0 302 A1IJ3 AAA C19 1 ? 
HETATM 1724 C  C23 . A1IJ3 D 4 .   ? -23.969 -23.632 3.529   1.000 50.310  0 302 A1IJ3 AAA C23 1 ? 
HETATM 1725 C  C18 . A1IJ3 D 4 .   ? -24.962 -23.656 2.563   1.000 46.490  0 302 A1IJ3 AAA C18 1 ? 
HETATM 1726 N  N17 . A1IJ3 D 4 .   ? -25.185 -24.779 1.797   1.000 43.690  0 302 A1IJ3 AAA N17 1 ? 
HETATM 1727 C  C30 . A1IJ3 D 4 .   ? -24.449 -25.075 0.655   1.000 40.270  0 302 A1IJ3 AAA C30 1 ? 
HETATM 1728 O  O31 . A1IJ3 D 4 .   ? -23.536 -24.359 0.252   1.000 41.010  0 302 A1IJ3 AAA O31 1 ? 
HETATM 1729 C  C16 . A1IJ3 D 4 .   ? -26.194 -25.625 2.216   1.000 46.340  0 302 A1IJ3 AAA C16 1 ? 
HETATM 1730 C  C32 . A1IJ3 D 4 .   ? -27.610 -27.699 2.049   1.000 51.370  0 302 A1IJ3 AAA C32 1 ? 
HETATM 1731 O  O33 . A1IJ3 D 4 .   ? -27.516 -28.887 1.682   1.000 45.680  0 302 A1IJ3 AAA O33 1 ? 
HETATM 1732 O  O34 . A1IJ3 D 4 .   ? -28.358 -27.291 2.980   1.000 49.050  0 302 A1IJ3 AAA O34 1 ? 
HETATM 1733 C  C14 . A1IJ3 D 4 .   ? -25.763 -27.077 0.346   1.000 46.100  0 302 A1IJ3 AAA C14 1 ? 
HETATM 1734 O  O35 . A1IJ3 D 4 .   ? -25.942 -28.053 -0.397  1.000 41.050  0 302 A1IJ3 AAA O35 1 ? 
HETATM 1735 N  N13 . A1IJ3 D 4 .   ? -24.771 -26.219 -0.045  1.000 45.540  0 302 A1IJ3 AAA N13 1 ? 
HETATM 1736 C  C12 . A1IJ3 D 4 .   ? -24.070 -26.673 -1.221  1.000 44.110  0 302 A1IJ3 AAA C12 1 ? 
HETATM 1737 C  C3  . A1IJ3 D 4 .   ? -24.142 -25.755 -2.394  1.000 41.300  0 302 A1IJ3 AAA C3  1 ? 
HETATM 1738 C  C2  . A1IJ3 D 4 .   ? -25.399 -25.452 -2.896  1.000 37.690  0 302 A1IJ3 AAA C2  1 ? 
HETATM 1739 C  C1  . A1IJ3 D 4 .   ? -25.510 -24.647 -4.028  1.000 39.930  0 302 A1IJ3 AAA C1  1 ? 
HETATM 1740 F  F10 . A1IJ3 D 4 .   ? -22.252 -23.153 -5.786  1.000 43.050  0 302 A1IJ3 AAA F10 1 ? 
HETATM 1741 F  F8  . A1IJ3 D 4 .   ? -21.045 -24.802 -5.244  1.000 42.170  0 302 A1IJ3 AAA F8  1 ? 
HETATM 1742 F  F9  . A1IJ3 D 4 .   ? -21.287 -23.087 -3.857  1.000 46.450  0 302 A1IJ3 AAA F9  1 ? 
HETATM 1743 C  C11 . A1IJ3 D 4 .   ? -21.645 -25.666 -2.372  1.000 36.890  0 302 A1IJ3 AAA C11 1 ? 
HETATM 1744 ZN ZN  . ZN    E 5 .   ? -4.981  -38.791 -18.456 1.000 45.120  0 303 ZN    AAA ZN  1 ? 
HETATM 1745 O  O   . HOH   F 6 .   ? -7.464  -39.065 -13.943 1.000 40.500  0 401 HOH   AAA O   1 ? 
HETATM 1746 O  O   . HOH   F 6 .   ? -17.678 -15.055 17.984  1.000 46.890  0 402 HOH   AAA O   1 ? 
HETATM 1747 O  O   . HOH   F 6 .   ? -16.394 -13.480 12.394  1.000 75.770  0 403 HOH   AAA O   1 ? 
HETATM 1748 O  O   . HOH   F 6 .   ? -28.621 -26.383 -16.819 1.000 73.150  0 404 HOH   AAA O   1 ? 
HETATM 1749 O  O   . HOH   F 6 .   ? -17.703 -24.633 -20.655 1.000 59.550  0 405 HOH   AAA O   1 ? 
HETATM 1750 O  O   . HOH   F 6 .   ? 9.230   -15.381 0.739   1.000 66.430  0 406 HOH   AAA O   1 ? 
HETATM 1751 O  O   . HOH   F 6 .   ? -1.808  -34.961 3.677   1.000 40.130  0 407 HOH   AAA O   1 ? 
HETATM 1752 O  O   . HOH   F 6 .   ? -2.889  -29.356 -20.149 1.000 48.430  0 408 HOH   AAA O   1 ? 
HETATM 1753 O  O   . HOH   F 6 .   ? -10.928 -40.328 9.953   1.000 73.260  0 409 HOH   AAA O   1 ? 
HETATM 1754 O  O   . HOH   F 6 .   ? -18.103 -17.356 1.434   1.000 41.570  0 410 HOH   AAA O   1 ? 
HETATM 1755 O  O   . HOH   F 6 .   ? -1.950  -23.787 -15.798 1.000 62.070  0 411 HOH   AAA O   1 ? 
HETATM 1756 O  O   . HOH   F 6 .   ? 1.440   -34.889 -13.595 1.000 38.970  0 412 HOH   AAA O   1 ? 
HETATM 1757 O  O   . HOH   F 6 .   ? -9.133  -19.167 10.677  1.000 44.500  0 413 HOH   AAA O   1 ? 
HETATM 1758 O  O   . HOH   F 6 .   ? -29.558 -25.968 -10.616 1.000 46.170  0 414 HOH   AAA O   1 ? 
HETATM 1759 O  O   . HOH   F 6 .   ? -19.109 -32.257 -11.548 1.000 33.220  0 415 HOH   AAA O   1 ? 
HETATM 1760 O  O   . HOH   F 6 .   ? -18.605 -38.393 3.287   1.000 62.200  0 416 HOH   AAA O   1 ? 
HETATM 1761 O  O   . HOH   F 6 .   ? -11.056 -6.551  -4.265  1.000 52.490  0 417 HOH   AAA O   1 ? 
HETATM 1762 O  O   . HOH   F 6 .   ? -6.759  -36.359 -3.129  1.000 39.200  0 418 HOH   AAA O   1 ? 
HETATM 1763 O  O   . HOH   F 6 .   ? -11.363 -11.422 -7.828  1.000 40.660  0 419 HOH   AAA O   1 ? 
HETATM 1764 O  O   . HOH   F 6 .   ? -29.725 -18.671 -5.050  1.000 36.350  0 420 HOH   AAA O   1 ? 
HETATM 1765 O  O   . HOH   F 6 .   ? -12.622 -28.801 -21.901 1.000 52.970  0 421 HOH   AAA O   1 ? 
HETATM 1766 O  O   . HOH   F 6 .   ? -4.885  -32.676 -15.380 1.000 34.620  0 422 HOH   AAA O   1 ? 
HETATM 1767 O  O   . HOH   F 6 .   ? -20.993 -4.758  2.048   1.000 56.240  0 423 HOH   AAA O   1 ? 
HETATM 1768 O  O   . HOH   F 6 .   ? -6.024  -37.084 9.745   1.000 60.550  0 424 HOH   AAA O   1 ? 
HETATM 1769 O  O   . HOH   F 6 .   ? -29.566 -24.984 3.457   1.000 52.450  0 425 HOH   AAA O   1 ? 
HETATM 1770 O  O   . HOH   F 6 .   ? -21.613 -14.793 3.380   1.000 35.200  0 426 HOH   AAA O   1 ? 
HETATM 1771 O  O   . HOH   F 6 .   ? -6.695  -36.992 2.833   1.000 51.230  0 427 HOH   AAA O   1 ? 
HETATM 1772 O  O   . HOH   F 6 .   ? 1.337   -33.270 6.709   1.000 40.360  0 428 HOH   AAA O   1 ? 
HETATM 1773 O  O   . HOH   F 6 .   ? -12.020 -40.214 -4.275  1.000 52.780  0 429 HOH   AAA O   1 ? 
HETATM 1774 O  O   . HOH   F 6 .   ? -12.579 -38.420 7.313   1.000 47.430  0 430 HOH   AAA O   1 ? 
HETATM 1775 O  O   . HOH   F 6 .   ? -32.898 -19.883 -9.247  1.000 55.700  0 431 HOH   AAA O   1 ? 
HETATM 1776 O  O   . HOH   F 6 .   ? 5.094   -35.080 -7.661  1.000 40.300  0 432 HOH   AAA O   1 ? 
HETATM 1777 O  O   . HOH   F 6 .   ? 6.328   -21.384 -3.349  1.000 45.880  0 433 HOH   AAA O   1 ? 
HETATM 1778 O  O   . HOH   F 6 .   ? -15.946 -15.944 1.040   1.000 39.650  0 434 HOH   AAA O   1 ? 
HETATM 1779 O  O   . HOH   F 6 .   ? -4.226  -30.852 -12.253 1.000 34.490  0 435 HOH   AAA O   1 ? 
HETATM 1780 O  O   . HOH   F 6 .   ? -17.649 -36.724 7.096   1.000 54.380  0 436 HOH   AAA O   1 ? 
HETATM 1781 O  O   . HOH   F 6 .   ? -27.141 -8.988  -12.683 1.000 40.950  0 437 HOH   AAA O   1 ? 
HETATM 1782 O  O   . HOH   F 6 .   ? -32.340 -17.246 -20.036 1.000 61.300  0 438 HOH   AAA O   1 ? 
HETATM 1783 O  O   . HOH   F 6 .   ? -6.353  -33.046 -10.193 1.000 39.780  0 439 HOH   AAA O   1 ? 
HETATM 1784 O  O   . HOH   F 6 .   ? -20.952 -10.444 -8.232  1.000 35.240  0 440 HOH   AAA O   1 ? 
HETATM 1785 O  O   . HOH   F 6 .   ? -25.912 -31.747 -14.790 1.000 49.030  0 441 HOH   AAA O   1 ? 
HETATM 1786 O  O   . HOH   F 6 .   ? -32.851 -22.534 -12.062 1.000 63.880  0 442 HOH   AAA O   1 ? 
HETATM 1787 O  O   . HOH   F 6 .   ? -29.278 -33.588 -12.322 1.000 58.250  0 443 HOH   AAA O   1 ? 
HETATM 1788 O  O   . HOH   F 6 .   ? -15.550 -13.476 1.985   1.000 46.250  0 444 HOH   AAA O   1 ? 
HETATM 1789 O  O   . HOH   F 6 .   ? -14.111 -27.470 -7.985  1.000 32.450  0 445 HOH   AAA O   1 ? 
HETATM 1790 O  O   . HOH   F 6 .   ? -14.488 -30.446 -7.396  1.000 37.760  0 446 HOH   AAA O   1 ? 
HETATM 1791 O  O   . HOH   F 6 .   ? -31.639 -13.709 -7.703  1.000 44.260  0 447 HOH   AAA O   1 ? 
HETATM 1792 O  O   . HOH   F 6 .   ? -31.911 -13.501 -14.735 1.000 56.960  0 448 HOH   AAA O   1 ? 
HETATM 1793 O  O   . HOH   F 6 .   ? -11.625 -19.184 11.829  1.000 72.180  0 449 HOH   AAA O   1 ? 
HETATM 1794 O  O   . HOH   F 6 .   ? -27.028 -20.312 -13.963 1.000 36.480  0 450 HOH   AAA O   1 ? 
HETATM 1795 O  O   . HOH   F 6 .   ? -12.900 -24.802 8.358   1.000 51.230  0 451 HOH   AAA O   1 ? 
HETATM 1796 O  O   . HOH   F 6 .   ? -7.490  -15.910 13.933  1.000 57.160  0 452 HOH   AAA O   1 ? 
HETATM 1797 O  O   . HOH   F 6 .   ? -29.506 -30.953 -1.652  1.000 56.720  0 453 HOH   AAA O   1 ? 
HETATM 1798 O  O   . HOH   F 6 .   ? -13.122 -5.838  -2.601  1.000 48.350  0 454 HOH   AAA O   1 ? 
HETATM 1799 O  O   . HOH   F 6 .   ? -6.729  -36.825 14.690  1.000 86.010  0 455 HOH   AAA O   1 ? 
HETATM 1800 O  O   . HOH   F 6 .   ? 8.939   -23.098 -7.367  1.000 54.700  0 456 HOH   AAA O   1 ? 
HETATM 1801 O  O   . HOH   F 6 .   ? -4.786  -36.884 4.830   1.000 44.060  0 457 HOH   AAA O   1 ? 
HETATM 1802 O  O   . HOH   F 6 .   ? -10.392 -11.609 -15.287 1.000 62.150  0 458 HOH   AAA O   1 ? 
HETATM 1803 O  O   . HOH   F 6 .   ? 0.501   -41.709 -10.853 1.000 54.600  0 459 HOH   AAA O   1 ? 
HETATM 1804 O  O   . HOH   F 6 .   ? -2.961  -32.136 5.647   1.000 39.930  0 460 HOH   AAA O   1 ? 
HETATM 1805 O  O   . HOH   F 6 .   ? -16.286 -24.661 8.607   1.000 49.370  0 461 HOH   AAA O   1 ? 
HETATM 1806 O  O   . HOH   F 6 .   ? -22.204 -31.188 -15.347 1.000 42.860  0 462 HOH   AAA O   1 ? 
HETATM 1807 O  O   . HOH   F 6 .   ? -27.664 -21.462 -4.920  1.000 36.890  0 463 HOH   AAA O   1 ? 
HETATM 1808 O  O   . HOH   F 6 .   ? -13.877 -35.564 6.384   1.000 60.380  0 464 HOH   AAA O   1 ? 
HETATM 1809 O  O   . HOH   F 6 .   ? -5.213  -22.551 9.624   1.000 52.230  0 465 HOH   AAA O   1 ? 
HETATM 1810 O  O   . HOH   F 6 .   ? -12.848 -8.814  -8.013  1.000 40.100  0 466 HOH   AAA O   1 ? 
HETATM 1811 O  O   . HOH   F 6 .   ? -8.318  -38.235 16.369  1.000 65.350  0 467 HOH   AAA O   1 ? 
HETATM 1812 O  O   . HOH   F 6 .   ? -22.130 -34.282 -17.879 1.000 66.700  0 468 HOH   AAA O   1 ? 
HETATM 1813 O  O   . HOH   F 6 .   ? -14.406 -16.256 -19.196 1.000 58.520  0 469 HOH   AAA O   1 ? 
HETATM 1814 O  O   . HOH   F 6 .   ? -7.533  -38.822 -2.642  1.000 53.360  0 470 HOH   AAA O   1 ? 
HETATM 1815 O  O   . HOH   F 6 .   ? -20.553 -37.565 -14.275 1.000 55.480  0 471 HOH   AAA O   1 ? 
HETATM 1816 O  O   . HOH   F 6 .   ? -27.050 -26.596 -19.123 1.000 55.810  0 472 HOH   AAA O   1 ? 
HETATM 1817 O  O   . HOH   F 6 .   ? -20.692 -9.283  -5.905  1.000 40.450  0 473 HOH   AAA O   1 ? 
HETATM 1818 O  O   . HOH   F 6 .   ? 3.420   -23.494 -14.041 1.000 42.690  0 474 HOH   AAA O   1 ? 
HETATM 1819 O  O   . HOH   F 6 .   ? -7.707  -10.311 4.177   1.000 57.230  0 475 HOH   AAA O   1 ? 
HETATM 1820 O  O   . HOH   F 6 .   ? -19.557 -40.570 -7.314  1.000 49.840  0 476 HOH   AAA O   1 ? 
HETATM 1821 O  O   . HOH   F 6 .   ? -14.813 -27.674 -22.286 1.000 67.180  0 477 HOH   AAA O   1 ? 
HETATM 1822 O  O   . HOH   F 6 .   ? -20.210 -34.119 -21.052 1.000 64.780  0 478 HOH   AAA O   1 ? 
HETATM 1823 O  O   . HOH   F 6 .   ? 0.893   -8.560  1.207   1.000 59.020  0 479 HOH   AAA O   1 ? 
HETATM 1824 O  O   . HOH   F 6 .   ? -10.690 -25.624 -20.115 1.000 48.500  0 480 HOH   AAA O   1 ? 
HETATM 1825 O  O   . HOH   F 6 .   ? -25.392 -18.433 -15.358 1.000 40.290  0 481 HOH   AAA O   1 ? 
HETATM 1826 O  O   . HOH   F 6 .   ? -7.877  -30.706 -16.078 1.000 37.370  0 482 HOH   AAA O   1 ? 
HETATM 1827 O  O   . HOH   F 6 .   ? -6.544  -34.925 -23.352 1.000 61.020  0 483 HOH   AAA O   1 ? 
HETATM 1828 O  O   . HOH   F 6 .   ? -30.920 -34.488 -8.961  1.000 55.850  0 484 HOH   AAA O   1 ? 
HETATM 1829 O  O   . HOH   F 6 .   ? -32.017 -11.883 -4.233  1.000 50.290  0 485 HOH   AAA O   1 ? 
HETATM 1830 O  O   . HOH   F 6 .   ? -31.892 -15.212 -18.763 1.000 50.650  0 486 HOH   AAA O   1 ? 
HETATM 1831 O  O   . HOH   F 6 .   ? -0.078  -41.661 -8.236  1.000 57.030  0 487 HOH   AAA O   1 ? 
HETATM 1832 O  O   . HOH   F 6 .   ? -26.451 -21.967 -7.384  1.000 45.290  0 488 HOH   AAA O   1 ? 
HETATM 1833 O  O   . HOH   F 6 .   ? 6.987   -27.044 0.277   1.000 46.320  0 489 HOH   AAA O   1 ? 
HETATM 1834 O  O   . HOH   F 6 .   ? 10.101  -29.638 -3.519  1.000 56.570  0 490 HOH   AAA O   1 ? 
HETATM 1835 O  O   . HOH   F 6 .   ? -19.973 -28.293 -0.393  1.000 51.410  0 491 HOH   AAA O   1 ? 
HETATM 1836 O  O   . HOH   F 6 .   ? -32.886 -24.419 -0.762  1.000 49.490  0 492 HOH   AAA O   1 ? 
HETATM 1837 O  O   . HOH   F 6 .   ? -10.760 -8.762  4.870   1.000 48.200  0 493 HOH   AAA O   1 ? 
HETATM 1838 O  O   . HOH   F 6 .   ? -17.741 -12.188 -20.607 1.000 49.960  0 494 HOH   AAA O   1 ? 
HETATM 1839 O  O   . HOH   F 6 .   ? -11.922 -42.490 2.179   1.000 46.410  0 495 HOH   AAA O   1 ? 
HETATM 1840 O  O   . HOH   F 6 .   ? 6.497   -33.847 -6.118  1.000 47.660  0 496 HOH   AAA O   1 ? 
HETATM 1841 O  O   . HOH   F 6 .   ? -16.809 -5.512  3.896   1.000 61.820  0 497 HOH   AAA O   1 ? 
HETATM 1842 O  O   . HOH   F 6 .   ? 7.980   -33.283 -15.407 1.000 56.210  0 498 HOH   AAA O   1 ? 
HETATM 1843 O  O   . HOH   F 6 .   ? -6.717  -31.632 -13.558 1.000 42.960  0 499 HOH   AAA O   1 ? 
HETATM 1844 O  O   . HOH   F 6 .   ? -9.066  -33.319 -16.368 1.000 38.070  0 500 HOH   AAA O   1 ? 
HETATM 1845 O  O   . HOH   F 6 .   ? 3.218   -37.228 -14.202 1.000 41.820  0 501 HOH   AAA O   1 ? 
HETATM 1846 O  O   . HOH   F 6 .   ? -29.670 -15.912 4.496   1.000 52.080  0 502 HOH   AAA O   1 ? 
HETATM 1847 O  O   . HOH   F 6 .   ? 3.534   -32.889 -1.431  1.000 67.990  0 503 HOH   AAA O   1 ? 
HETATM 1848 O  O   . HOH   F 6 .   ? 3.469   -35.892 -1.104  1.000 39.690  0 504 HOH   AAA O   1 ? 
HETATM 1849 O  O   . HOH   F 6 .   ? 5.986   -22.342 -8.122  1.000 45.640  0 505 HOH   AAA O   1 ? 
HETATM 1850 O  O   . HOH   F 6 .   ? -4.696  -30.070 11.194  1.000 53.550  0 506 HOH   AAA O   1 ? 
HETATM 1851 O  O   . HOH   F 6 .   ? -30.431 -30.896 -9.832  1.000 48.730  0 507 HOH   AAA O   1 ? 
HETATM 1852 O  O   . HOH   F 6 .   ? -21.466 -7.363  -12.849 1.000 55.270  0 508 HOH   AAA O   1 ? 
HETATM 1853 O  O   . HOH   F 6 .   ? -20.243 -35.995 -18.587 1.000 48.750  0 509 HOH   AAA O   1 ? 
HETATM 1854 O  O   . HOH   F 6 .   ? 8.358   -26.149 2.656   1.000 61.230  0 510 HOH   AAA O   1 ? 
HETATM 1855 O  O   . HOH   F 6 .   ? -22.620 -21.823 -9.038  1.000 42.700  0 511 HOH   AAA O   1 ? 
HETATM 1856 O  O   . HOH   F 6 .   ? -0.104  -45.028 -12.739 1.000 48.740  0 512 HOH   AAA O   1 ? 
HETATM 1857 O  O   . HOH   F 6 .   ? -17.141 -23.260 -24.973 1.000 68.280  0 513 HOH   AAA O   1 ? 
HETATM 1858 O  O   . HOH   F 6 .   ? -19.781 -26.038 -20.814 1.000 59.490  0 514 HOH   AAA O   1 ? 
HETATM 1859 O  O   . HOH   F 6 .   ? -2.496  -27.030 9.563   1.000 42.230  0 515 HOH   AAA O   1 ? 
HETATM 1860 O  O   . HOH   F 6 .   ? -5.767  -31.364 -23.113 1.000 54.260  0 516 HOH   AAA O   1 ? 
HETATM 1861 O  O   . HOH   F 6 .   ? 1.293   -34.719 -18.348 1.000 56.460  0 517 HOH   AAA O   1 ? 
HETATM 1862 O  O   . HOH   F 6 .   ? -30.302 -24.050 1.471   1.000 56.900  0 518 HOH   AAA O   1 ? 
HETATM 1863 O  O   . HOH   F 6 .   ? -32.101 -18.646 0.152   1.000 38.620  0 519 HOH   AAA O   1 ? 
HETATM 1864 O  O   . HOH   F 6 .   ? -22.468 -37.605 -11.658 1.000 56.290  0 520 HOH   AAA O   1 ? 
HETATM 1865 O  O   . HOH   F 6 .   ? -15.000 -33.855 -23.609 1.000 58.080  0 521 HOH   AAA O   1 ? 
HETATM 1866 O  O   . HOH   F 6 .   ? -25.835 -15.698 3.543   1.000 39.370  0 522 HOH   AAA O   1 ? 
HETATM 1867 O  O   . HOH   F 6 .   ? -4.701  -37.545 12.245  1.000 54.410  0 523 HOH   AAA O   1 ? 
HETATM 1868 O  O   . HOH   F 6 .   ? 0.221   -27.747 -18.031 1.000 52.880  0 524 HOH   AAA O   1 ? 
HETATM 1869 O  O   . HOH   F 6 .   ? -21.871 -24.315 -19.855 1.000 44.670  0 525 HOH   AAA O   1 ? 
HETATM 1870 O  O   . HOH   F 6 .   ? -8.904  -39.722 -16.857 1.000 44.780  0 526 HOH   AAA O   1 ? 
HETATM 1871 O  O   . HOH   F 6 .   ? 3.164   -27.162 -16.454 1.000 49.790  0 527 HOH   AAA O   1 ? 
HETATM 1872 O  O   . HOH   F 6 .   ? -12.155 -18.024 -18.631 1.000 41.210  0 528 HOH   AAA O   1 ? 
HETATM 1873 O  O   . HOH   F 6 .   ? -11.803 -42.584 -0.400  1.000 51.590  0 529 HOH   AAA O   1 ? 
HETATM 1874 O  O   . HOH   F 6 .   ? -27.011 -16.130 -18.725 1.000 41.640  0 530 HOH   AAA O   1 ? 
HETATM 1875 O  O   . HOH   F 6 .   ? -7.514  -39.513 -5.351  1.000 54.890  0 531 HOH   AAA O   1 ? 
HETATM 1876 O  O   . HOH   F 6 .   ? -17.261 -26.956 6.913   1.000 75.580  0 532 HOH   AAA O   1 ? 
HETATM 1877 O  O   . HOH   F 6 .   ? -7.818  -27.126 9.589   1.000 55.340  0 533 HOH   AAA O   1 ? 
HETATM 1878 O  O   . HOH   F 6 .   ? 1.395   -39.858 -6.966  1.000 47.130  0 534 HOH   AAA O   1 ? 
HETATM 1879 O  O   . HOH   F 6 .   ? 8.462   -22.547 5.899   1.000 55.220  0 535 HOH   AAA O   1 ? 
HETATM 1880 O  O   . HOH   F 6 .   ? -12.065 -21.036 -18.291 1.000 57.260  0 536 HOH   AAA O   1 ? 
HETATM 1881 O  O   . HOH   F 6 .   ? -14.480 -33.064 -5.039  1.000 49.020  0 537 HOH   AAA O   1 ? 
HETATM 1882 O  O   . HOH   F 6 .   ? -19.032 -18.860 15.291  1.000 60.370  0 538 HOH   AAA O   1 ? 
HETATM 1883 O  O   . HOH   F 6 .   ? -6.146  -9.298  2.165   1.000 59.350  0 539 HOH   AAA O   1 ? 
HETATM 1884 O  O   . HOH   F 6 .   ? -12.610 -7.407  5.155   1.000 52.430  0 540 HOH   AAA O   1 ? 
HETATM 1885 O  O   . HOH   F 6 .   ? -10.782 -40.401 6.124   1.000 57.160  0 541 HOH   AAA O   1 ? 
HETATM 1886 O  O   . HOH   F 6 .   ? -5.237  -16.322 -12.126 1.000 54.780  0 542 HOH   AAA O   1 ? 
HETATM 1887 O  O   . HOH   F 6 .   ? -2.664  -15.101 8.503   1.000 63.160  0 543 HOH   AAA O   1 ? 
HETATM 1888 O  O   . HOH   F 6 .   ? -27.750 -12.287 9.066   1.000 63.270  0 544 HOH   AAA O   1 ? 
HETATM 1889 O  O   . HOH   F 6 .   ? -26.836 -20.164 -21.077 1.000 63.000  0 545 HOH   AAA O   1 ? 
HETATM 1890 O  O   . HOH   F 6 .   ? -28.984 -12.323 -18.153 1.000 56.970  0 546 HOH   AAA O   1 ? 
HETATM 1891 O  O   . HOH   F 6 .   ? -5.981  -6.883  -5.388  1.000 62.820  0 547 HOH   AAA O   1 ? 
HETATM 1892 O  O   . HOH   F 6 .   ? -16.818 -9.338  7.917   1.000 54.230  0 548 HOH   AAA O   1 ? 
HETATM 1893 O  O   . HOH   F 6 .   ? -14.126 -30.947 8.417   1.000 66.230  0 549 HOH   AAA O   1 ? 
HETATM 1894 O  O   . HOH   F 6 .   ? -18.973 -8.346  -9.024  1.000 48.100  0 550 HOH   AAA O   1 ? 
HETATM 1895 O  O   . HOH   F 6 .   ? -9.349  -40.342 -4.126  1.000 65.380  0 551 HOH   AAA O   1 ? 
HETATM 1896 O  O   . HOH   F 6 .   ? 6.735   -24.463 6.973   1.000 68.250  0 552 HOH   AAA O   1 ? 
HETATM 1897 O  O   . HOH   F 6 .   ? -18.090 -34.315 0.073   1.000 41.080  0 553 HOH   AAA O   1 ? 
HETATM 1898 O  O   . HOH   F 6 .   ? -1.344  -34.786 5.970   1.000 50.150  0 554 HOH   AAA O   1 ? 
HETATM 1899 O  O   . HOH   F 6 .   ? -22.889 -5.585  0.077   1.000 37.630  0 555 HOH   AAA O   1 ? 
HETATM 1900 O  O   . HOH   F 6 .   ? -5.987  -20.289 -17.638 1.000 68.700  0 556 HOH   AAA O   1 ? 
HETATM 1901 O  O   . HOH   F 6 .   ? -9.812  -33.913 15.016  1.000 61.160  0 557 HOH   AAA O   1 ? 
HETATM 1902 O  O   . HOH   F 6 .   ? -20.995 -7.297  6.040   1.000 58.470  0 558 HOH   AAA O   1 ? 
HETATM 1903 O  O   . HOH   F 6 .   ? -20.481 -10.222 17.846  1.000 52.220  0 559 HOH   AAA O   1 ? 
HETATM 1904 O  O   . HOH   F 6 .   ? 4.549   -12.596 6.356   1.000 57.990  0 560 HOH   AAA O   1 ? 
HETATM 1905 O  O   . HOH   F 6 .   ? -36.882 -20.123 -0.593  1.000 61.920  0 561 HOH   AAA O   1 ? 
HETATM 1906 O  O   . HOH   F 6 .   ? -25.444 -18.294 -17.977 1.000 51.110  0 562 HOH   AAA O   1 ? 
HETATM 1907 O  O   . HOH   F 6 .   ? -7.527  -39.616 2.503   1.000 55.210  0 563 HOH   AAA O   1 ? 
HETATM 1908 O  O   . HOH   F 6 .   ? -30.726 -23.964 -18.133 1.000 58.680  0 564 HOH   AAA O   1 ? 
HETATM 1909 O  O   . HOH   F 6 .   ? -26.703 -2.110  -10.028 1.000 59.610  0 565 HOH   AAA O   1 ? 
HETATM 1910 O  O   . HOH   F 6 .   ? -3.246  -31.038 13.652  1.000 56.370  0 566 HOH   AAA O   1 ? 
HETATM 1911 O  O   . HOH   F 6 .   ? -39.293 -16.733 -16.874 1.000 59.180  0 567 HOH   AAA O   1 ? 
HETATM 1912 O  O   . HOH   F 6 .   ? 9.566   -28.494 -0.349  1.000 63.170  0 568 HOH   AAA O   1 ? 
HETATM 1913 O  O   . HOH   F 6 .   ? -11.509 -33.280 12.875  1.000 47.900  0 569 HOH   AAA O   1 ? 
HETATM 1914 O  O   . HOH   F 6 .   ? -13.625 -35.542 -22.863 1.000 57.760  0 570 HOH   AAA O   1 ? 
HETATM 1915 O  O   . HOH   F 6 .   ? -14.336 -27.134 8.305   1.000 60.240  0 571 HOH   AAA O   1 ? 
HETATM 1916 O  O   . HOH   F 6 .   ? -6.027  -29.049 -23.639 1.000 62.800  0 572 HOH   AAA O   1 ? 
HETATM 1917 O  O   . HOH   F 6 .   ? -9.289  -43.091 2.392   1.000 58.620  0 573 HOH   AAA O   1 ? 
HETATM 1918 O  O   . HOH   F 6 .   ? -2.355  -37.181 7.613   1.000 50.820  0 574 HOH   AAA O   1 ? 
HETATM 1919 O  O   . HOH   F 6 .   ? 0.336   -38.794 -0.450  1.000 53.550  0 575 HOH   AAA O   1 ? 
HETATM 1920 O  O   . HOH   F 6 .   ? 5.700   -19.394 -2.453  1.000 56.830  0 576 HOH   AAA O   1 ? 
HETATM 1921 O  O   . HOH   F 6 .   ? 4.024   -34.710 -19.424 1.000 51.590  0 577 HOH   AAA O   1 ? 
HETATM 1922 O  O   . HOH   F 6 .   ? -7.456  -46.051 -8.631  1.000 52.880  0 578 HOH   AAA O   1 ? 
HETATM 1923 O  O   . HOH   F 6 .   ? 6.951   -33.002 -18.277 1.000 60.370  0 579 HOH   AAA O   1 ? 
HETATM 1924 O  O   . HOH   F 6 .   ? -14.524 -9.109  10.040  1.000 73.000  0 580 HOH   AAA O   1 ? 
HETATM 1925 O  O   . HOH   F 6 .   ? -6.352  -47.800 -15.620 1.000 62.770  0 581 HOH   AAA O   1 ? 
HETATM 1926 O  O   . HOH   F 6 .   ? -29.403 -12.424 -15.879 1.000 55.140  0 582 HOH   AAA O   1 ? 
HETATM 1927 O  O   . HOH   F 6 .   ? -20.615 -40.383 -12.030 1.000 53.040  0 583 HOH   AAA O   1 ? 
HETATM 1928 O  O   . HOH   F 6 .   ? -32.267 -8.934  -8.075  1.000 55.330  0 584 HOH   AAA O   1 ? 
HETATM 1929 O  O   . HOH   F 6 .   ? -0.010  -41.970 -5.693  1.000 80.140  0 585 HOH   AAA O   1 ? 
HETATM 1930 O  O   . HOH   F 6 .   ? -9.373  -31.384 12.996  1.000 61.300  0 586 HOH   AAA O   1 ? 
HETATM 1931 O  O   . HOH   F 6 .   ? -0.708  -37.733 1.884   1.000 65.290  0 587 HOH   AAA O   1 ? 
HETATM 1932 O  O   . HOH   F 6 .   ? -32.293 -24.960 -10.692 1.000 55.660  0 588 HOH   AAA O   1 ? 
HETATM 1933 O  O   . HOH   F 6 .   ? -3.395  -31.563 -22.344 1.000 59.060  0 589 HOH   AAA O   1 ? 
HETATM 1934 O  O   . HOH   F 6 .   ? -12.843 -42.254 -6.271  1.000 61.730  0 590 HOH   AAA O   1 ? 
HETATM 1935 O  O   . HOH   F 6 .   ? -5.131  -27.509 10.984  1.000 68.870  0 591 HOH   AAA O   1 ? 
HETATM 1936 O  O   . HOH   F 6 .   ? -0.996  -13.140 -8.443  1.000 68.620  0 592 HOH   AAA O   1 ? 
HETATM 1937 O  O   . HOH   F 6 .   ? -11.669 -31.057 11.613  1.000 61.820  0 593 HOH   AAA O   1 ? 
HETATM 1938 O  O   . HOH   F 6 .   ? 2.520   -39.565 2.306   1.000 56.580  0 594 HOH   AAA O   1 ? 
HETATM 1939 O  O   . HOH   F 6 .   ? -20.702 -25.146 2.789   1.000 52.600  0 595 HOH   AAA O   1 ? 
HETATM 1940 O  O   . HOH   F 6 .   ? 0.707   -38.454 4.226   1.000 51.780  0 596 HOH   AAA O   1 ? 
HETATM 1941 O  O   . HOH   F 6 .   ? -10.062 -27.583 10.862  1.000 55.820  0 597 HOH   AAA O   1 ? 
HETATM 1942 O  O   . HOH   F 6 .   ? -3.229  -20.603 10.224  1.000 72.120  0 598 HOH   AAA O   1 ? 
HETATM 1943 O  O   . HOH   F 6 .   ? -0.032  -25.572 -17.191 1.000 57.290  0 599 HOH   AAA O   1 ? 
HETATM 1944 O  O   . HOH   F 6 .   ? -18.633 -34.417 -2.698  1.000 58.960  0 600 HOH   AAA O   1 ? 
HETATM 1945 O  O   . HOH   F 6 .   ? -17.732 -29.793 1.719   1.000 53.360  0 601 HOH   AAA O   1 ? 
HETATM 1946 O  O   . HOH   F 6 .   ? -24.336 -33.141 -16.369 1.000 58.630  0 602 HOH   AAA O   1 ? 
HETATM 1947 O  O   . HOH   F 6 .   ? -16.251 -7.374  -14.159 1.000 54.050  0 603 HOH   AAA O   1 ? 
HETATM 1948 O  O   . HOH   F 6 .   ? -19.557 -32.934 6.772   1.000 74.320  0 604 HOH   AAA O   1 ? 
HETATM 1949 O  O   . HOH   F 6 .   ? 0.339   -41.277 -1.978  1.000 65.690  0 605 HOH   AAA O   1 ? 
HETATM 1950 O  O   . HOH   F 6 .   ? -21.345 -24.476 5.930   1.000 62.040  0 606 HOH   AAA O   1 ? 
HETATM 1951 O  O   . HOH   F 6 .   ? -2.805  -7.581  -5.411  1.000 71.990  0 607 HOH   AAA O   1 ? 
HETATM 1952 O  O   . HOH   F 6 .   ? -31.010 -28.274 -10.703 1.000 61.090  0 608 HOH   AAA O   1 ? 
HETATM 1953 O  O   . HOH   F 6 .   ? -2.531  -8.168  -7.908  1.000 61.820  0 609 HOH   AAA O   1 ? 
HETATM 1954 O  O   . HOH   F 6 .   ? -2.159  -30.714 -24.775 1.000 69.750  0 610 HOH   AAA O   1 ? 
HETATM 1955 O  O   . HOH   F 6 .   ? -2.789  -27.013 -21.540 1.000 55.040  0 611 HOH   AAA O   1 ? 
HETATM 1956 O  O   . HOH   F 6 .   ? -7.408  -10.421 -16.831 1.000 67.000  0 612 HOH   AAA O   1 ? 
HETATM 1957 O  O   . HOH   F 6 .   ? -31.157 -31.851 -12.170 1.000 61.660  0 613 HOH   AAA O   1 ? 
HETATM 1958 O  O   . HOH   F 6 .   ? -0.647  -23.802 -21.378 1.000 60.800  0 614 HOH   AAA O   1 ? 
# 
