data_9GCC
# 
_entry.id   9GCC 
# 
_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   9GCC         pdb_00009gcc 10.2210/pdb9gcc/pdb 
WWPDB D_1292140761 ?            ?                   
# 
_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                        9GCC 
_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 
PDB . 9GC9 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 ? ? ? 
2 branched    man '2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose' 424.401   2   ? ? ? ? 
3 non-polymer syn 
;1-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid
;
488.416   1   ?         ? ? ? 
4 non-polymer syn 'ZINC ION' 65.409    1   ?         ? ? ? 
5 water       nat water 18.015    265 ?         ? ? ? 
# 
_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 
;1-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid
;
A1IJ0 
4 'ZINC ION' ZN    
5 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 
A1IJ0 non-polymer                  . 
;1-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)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 AaA NAG 1 AaA NAG 302 n 
B 2 NAG 2 AaA NAG 2 AeA NAG 305 n 
C 2 NAG 1 AbA NAG 1 AbA NAG 301 n 
C 2 NAG 2 AbA NAG 2 AcA NAG 303 n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IJ0 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IJ0 
_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 
D 3 A1IJ0 1   301 304 A1IJ0 LIG AAA . 
E 4 ZN    1   302 1   ZN    ZN  AAA . 
F 5 HOH   1   401 186 HOH   HOH AAA . 
F 5 HOH   2   402 215 HOH   HOH AAA . 
F 5 HOH   3   403 243 HOH   HOH AAA . 
F 5 HOH   4   404 220 HOH   HOH AAA . 
F 5 HOH   5   405 158 HOH   HOH AAA . 
F 5 HOH   6   406 256 HOH   HOH AAA . 
F 5 HOH   7   407 185 HOH   HOH AAA . 
F 5 HOH   8   408 173 HOH   HOH AAA . 
F 5 HOH   9   409 218 HOH   HOH AAA . 
F 5 HOH   10  410 265 HOH   HOH AAA . 
F 5 HOH   11  411 108 HOH   HOH AAA . 
F 5 HOH   12  412 235 HOH   HOH AAA . 
F 5 HOH   13  413 228 HOH   HOH AAA . 
F 5 HOH   14  414 261 HOH   HOH AAA . 
F 5 HOH   15  415 75  HOH   HOH AAA . 
F 5 HOH   16  416 253 HOH   HOH AAA . 
F 5 HOH   17  417 205 HOH   HOH AAA . 
F 5 HOH   18  418 98  HOH   HOH AAA . 
F 5 HOH   19  419 74  HOH   HOH AAA . 
F 5 HOH   20  420 72  HOH   HOH AAA . 
F 5 HOH   21  421 175 HOH   HOH AAA . 
F 5 HOH   22  422 184 HOH   HOH AAA . 
F 5 HOH   23  423 178 HOH   HOH AAA . 
F 5 HOH   24  424 249 HOH   HOH AAA . 
F 5 HOH   25  425 138 HOH   HOH AAA . 
F 5 HOH   26  426 87  HOH   HOH AAA . 
F 5 HOH   27  427 91  HOH   HOH AAA . 
F 5 HOH   28  428 10  HOH   HOH AAA . 
F 5 HOH   29  429 168 HOH   HOH AAA . 
F 5 HOH   30  430 36  HOH   HOH AAA . 
F 5 HOH   31  431 182 HOH   HOH AAA . 
F 5 HOH   32  432 188 HOH   HOH AAA . 
F 5 HOH   33  433 17  HOH   HOH AAA . 
F 5 HOH   34  434 30  HOH   HOH AAA . 
F 5 HOH   35  435 159 HOH   HOH AAA . 
F 5 HOH   36  436 207 HOH   HOH AAA . 
F 5 HOH   37  437 128 HOH   HOH AAA . 
F 5 HOH   38  438 18  HOH   HOH AAA . 
F 5 HOH   39  439 216 HOH   HOH AAA . 
F 5 HOH   40  440 149 HOH   HOH AAA . 
F 5 HOH   41  441 51  HOH   HOH AAA . 
F 5 HOH   42  442 4   HOH   HOH AAA . 
F 5 HOH   43  443 116 HOH   HOH AAA . 
F 5 HOH   44  444 129 HOH   HOH AAA . 
F 5 HOH   45  445 133 HOH   HOH AAA . 
F 5 HOH   46  446 230 HOH   HOH AAA . 
F 5 HOH   47  447 154 HOH   HOH AAA . 
F 5 HOH   48  448 233 HOH   HOH AAA . 
F 5 HOH   49  449 226 HOH   HOH AAA . 
F 5 HOH   50  450 231 HOH   HOH AAA . 
F 5 HOH   51  451 84  HOH   HOH AAA . 
F 5 HOH   52  452 252 HOH   HOH AAA . 
F 5 HOH   53  453 77  HOH   HOH AAA . 
F 5 HOH   54  454 24  HOH   HOH AAA . 
F 5 HOH   55  455 13  HOH   HOH AAA . 
F 5 HOH   56  456 179 HOH   HOH AAA . 
F 5 HOH   57  457 208 HOH   HOH AAA . 
F 5 HOH   58  458 37  HOH   HOH AAA . 
F 5 HOH   59  459 104 HOH   HOH AAA . 
F 5 HOH   60  460 54  HOH   HOH AAA . 
F 5 HOH   61  461 46  HOH   HOH AAA . 
F 5 HOH   62  462 131 HOH   HOH AAA . 
F 5 HOH   63  463 164 HOH   HOH AAA . 
F 5 HOH   64  464 142 HOH   HOH AAA . 
F 5 HOH   65  465 6   HOH   HOH AAA . 
F 5 HOH   66  466 80  HOH   HOH AAA . 
F 5 HOH   67  467 100 HOH   HOH AAA . 
F 5 HOH   68  468 31  HOH   HOH AAA . 
F 5 HOH   69  469 25  HOH   HOH AAA . 
F 5 HOH   70  470 63  HOH   HOH AAA . 
F 5 HOH   71  471 26  HOH   HOH AAA . 
F 5 HOH   72  472 9   HOH   HOH AAA . 
F 5 HOH   73  473 82  HOH   HOH AAA . 
F 5 HOH   74  474 187 HOH   HOH AAA . 
F 5 HOH   75  475 194 HOH   HOH AAA . 
F 5 HOH   76  476 196 HOH   HOH AAA . 
F 5 HOH   77  477 246 HOH   HOH AAA . 
F 5 HOH   78  478 20  HOH   HOH AAA . 
F 5 HOH   79  479 144 HOH   HOH AAA . 
F 5 HOH   80  480 28  HOH   HOH AAA . 
F 5 HOH   81  481 137 HOH   HOH AAA . 
F 5 HOH   82  482 33  HOH   HOH AAA . 
F 5 HOH   83  483 114 HOH   HOH AAA . 
F 5 HOH   84  484 64  HOH   HOH AAA . 
F 5 HOH   85  485 241 HOH   HOH AAA . 
F 5 HOH   86  486 48  HOH   HOH AAA . 
F 5 HOH   87  487 229 HOH   HOH AAA . 
F 5 HOH   88  488 23  HOH   HOH AAA . 
F 5 HOH   89  489 197 HOH   HOH AAA . 
F 5 HOH   90  490 3   HOH   HOH AAA . 
F 5 HOH   91  491 93  HOH   HOH AAA . 
F 5 HOH   92  492 119 HOH   HOH AAA . 
F 5 HOH   93  493 60  HOH   HOH AAA . 
F 5 HOH   94  494 169 HOH   HOH AAA . 
F 5 HOH   95  495 94  HOH   HOH AAA . 
F 5 HOH   96  496 135 HOH   HOH AAA . 
F 5 HOH   97  497 39  HOH   HOH AAA . 
F 5 HOH   98  498 222 HOH   HOH AAA . 
F 5 HOH   99  499 161 HOH   HOH AAA . 
F 5 HOH   100 500 27  HOH   HOH AAA . 
F 5 HOH   101 501 89  HOH   HOH AAA . 
F 5 HOH   102 502 34  HOH   HOH AAA . 
F 5 HOH   103 503 35  HOH   HOH AAA . 
F 5 HOH   104 504 81  HOH   HOH AAA . 
F 5 HOH   105 505 61  HOH   HOH AAA . 
F 5 HOH   106 506 195 HOH   HOH AAA . 
F 5 HOH   107 507 45  HOH   HOH AAA . 
F 5 HOH   108 508 132 HOH   HOH AAA . 
F 5 HOH   109 509 55  HOH   HOH AAA . 
F 5 HOH   110 510 223 HOH   HOH AAA . 
F 5 HOH   111 511 70  HOH   HOH AAA . 
F 5 HOH   112 512 16  HOH   HOH AAA . 
F 5 HOH   113 513 183 HOH   HOH AAA . 
F 5 HOH   114 514 259 HOH   HOH AAA . 
F 5 HOH   115 515 42  HOH   HOH AAA . 
F 5 HOH   116 516 95  HOH   HOH AAA . 
F 5 HOH   117 517 136 HOH   HOH AAA . 
F 5 HOH   118 518 38  HOH   HOH AAA . 
F 5 HOH   119 519 225 HOH   HOH AAA . 
F 5 HOH   120 520 49  HOH   HOH AAA . 
F 5 HOH   121 521 32  HOH   HOH AAA . 
F 5 HOH   122 522 103 HOH   HOH AAA . 
F 5 HOH   123 523 8   HOH   HOH AAA . 
F 5 HOH   124 524 181 HOH   HOH AAA . 
F 5 HOH   125 525 219 HOH   HOH AAA . 
F 5 HOH   126 526 62  HOH   HOH AAA . 
F 5 HOH   127 527 52  HOH   HOH AAA . 
F 5 HOH   128 528 2   HOH   HOH AAA . 
F 5 HOH   129 529 209 HOH   HOH AAA . 
F 5 HOH   130 530 41  HOH   HOH AAA . 
F 5 HOH   131 531 21  HOH   HOH AAA . 
F 5 HOH   132 532 244 HOH   HOH AAA . 
F 5 HOH   133 533 12  HOH   HOH AAA . 
F 5 HOH   134 534 180 HOH   HOH AAA . 
F 5 HOH   135 535 68  HOH   HOH AAA . 
F 5 HOH   136 536 258 HOH   HOH AAA . 
F 5 HOH   137 537 53  HOH   HOH AAA . 
F 5 HOH   138 538 96  HOH   HOH AAA . 
F 5 HOH   139 539 14  HOH   HOH AAA . 
F 5 HOH   140 540 15  HOH   HOH AAA . 
F 5 HOH   141 541 1   HOH   HOH AAA . 
F 5 HOH   142 542 134 HOH   HOH AAA . 
F 5 HOH   143 543 65  HOH   HOH AAA . 
F 5 HOH   144 544 166 HOH   HOH AAA . 
F 5 HOH   145 545 211 HOH   HOH AAA . 
F 5 HOH   146 546 76  HOH   HOH AAA . 
F 5 HOH   147 547 59  HOH   HOH AAA . 
F 5 HOH   148 548 43  HOH   HOH AAA . 
F 5 HOH   149 549 88  HOH   HOH AAA . 
F 5 HOH   150 550 57  HOH   HOH AAA . 
F 5 HOH   151 551 224 HOH   HOH AAA . 
F 5 HOH   152 552 85  HOH   HOH AAA . 
F 5 HOH   153 553 121 HOH   HOH AAA . 
F 5 HOH   154 554 130 HOH   HOH AAA . 
F 5 HOH   155 555 210 HOH   HOH AAA . 
F 5 HOH   156 556 112 HOH   HOH AAA . 
F 5 HOH   157 557 155 HOH   HOH AAA . 
F 5 HOH   158 558 257 HOH   HOH AAA . 
F 5 HOH   159 559 22  HOH   HOH AAA . 
F 5 HOH   160 560 153 HOH   HOH AAA . 
F 5 HOH   161 561 50  HOH   HOH AAA . 
F 5 HOH   162 562 110 HOH   HOH AAA . 
F 5 HOH   163 563 206 HOH   HOH AAA . 
F 5 HOH   164 564 97  HOH   HOH AAA . 
F 5 HOH   165 565 193 HOH   HOH AAA . 
F 5 HOH   166 566 141 HOH   HOH AAA . 
F 5 HOH   167 567 126 HOH   HOH AAA . 
F 5 HOH   168 568 86  HOH   HOH AAA . 
F 5 HOH   169 569 66  HOH   HOH AAA . 
F 5 HOH   170 570 102 HOH   HOH AAA . 
F 5 HOH   171 571 7   HOH   HOH AAA . 
F 5 HOH   172 572 11  HOH   HOH AAA . 
F 5 HOH   173 573 163 HOH   HOH AAA . 
F 5 HOH   174 574 113 HOH   HOH AAA . 
F 5 HOH   175 575 177 HOH   HOH AAA . 
F 5 HOH   176 576 139 HOH   HOH AAA . 
F 5 HOH   177 577 124 HOH   HOH AAA . 
F 5 HOH   178 578 221 HOH   HOH AAA . 
F 5 HOH   179 579 109 HOH   HOH AAA . 
F 5 HOH   180 580 73  HOH   HOH AAA . 
F 5 HOH   181 581 5   HOH   HOH AAA . 
F 5 HOH   182 582 125 HOH   HOH AAA . 
F 5 HOH   183 583 19  HOH   HOH AAA . 
F 5 HOH   184 584 156 HOH   HOH AAA . 
F 5 HOH   185 585 111 HOH   HOH AAA . 
F 5 HOH   186 586 250 HOH   HOH AAA . 
F 5 HOH   187 587 47  HOH   HOH AAA . 
F 5 HOH   188 588 69  HOH   HOH AAA . 
F 5 HOH   189 589 237 HOH   HOH AAA . 
F 5 HOH   190 590 239 HOH   HOH AAA . 
F 5 HOH   191 591 71  HOH   HOH AAA . 
F 5 HOH   192 592 99  HOH   HOH AAA . 
F 5 HOH   193 593 120 HOH   HOH AAA . 
F 5 HOH   194 594 263 HOH   HOH AAA . 
F 5 HOH   195 595 78  HOH   HOH AAA . 
F 5 HOH   196 596 117 HOH   HOH AAA . 
F 5 HOH   197 597 118 HOH   HOH AAA . 
F 5 HOH   198 598 189 HOH   HOH AAA . 
F 5 HOH   199 599 148 HOH   HOH AAA . 
F 5 HOH   200 600 101 HOH   HOH AAA . 
F 5 HOH   201 601 29  HOH   HOH AAA . 
F 5 HOH   202 602 160 HOH   HOH AAA . 
F 5 HOH   203 603 56  HOH   HOH AAA . 
F 5 HOH   204 604 176 HOH   HOH AAA . 
F 5 HOH   205 605 262 HOH   HOH AAA . 
F 5 HOH   206 606 151 HOH   HOH AAA . 
F 5 HOH   207 607 170 HOH   HOH AAA . 
F 5 HOH   208 608 264 HOH   HOH AAA . 
F 5 HOH   209 609 83  HOH   HOH AAA . 
F 5 HOH   210 610 90  HOH   HOH AAA . 
F 5 HOH   211 611 157 HOH   HOH AAA . 
F 5 HOH   212 612 227 HOH   HOH AAA . 
F 5 HOH   213 613 79  HOH   HOH AAA . 
F 5 HOH   214 614 145 HOH   HOH AAA . 
F 5 HOH   215 615 107 HOH   HOH AAA . 
F 5 HOH   216 616 240 HOH   HOH AAA . 
F 5 HOH   217 617 260 HOH   HOH AAA . 
F 5 HOH   218 618 251 HOH   HOH AAA . 
F 5 HOH   219 619 147 HOH   HOH AAA . 
F 5 HOH   220 620 242 HOH   HOH AAA . 
F 5 HOH   221 621 115 HOH   HOH AAA . 
F 5 HOH   222 622 174 HOH   HOH AAA . 
F 5 HOH   223 623 122 HOH   HOH AAA . 
F 5 HOH   224 624 217 HOH   HOH AAA . 
F 5 HOH   225 625 127 HOH   HOH AAA . 
F 5 HOH   226 626 106 HOH   HOH AAA . 
F 5 HOH   227 627 190 HOH   HOH AAA . 
F 5 HOH   228 628 40  HOH   HOH AAA . 
F 5 HOH   229 629 202 HOH   HOH AAA . 
F 5 HOH   230 630 123 HOH   HOH AAA . 
F 5 HOH   231 631 67  HOH   HOH AAA . 
F 5 HOH   232 632 200 HOH   HOH AAA . 
F 5 HOH   233 633 232 HOH   HOH AAA . 
F 5 HOH   234 634 143 HOH   HOH AAA . 
F 5 HOH   235 635 191 HOH   HOH AAA . 
F 5 HOH   236 636 204 HOH   HOH AAA . 
F 5 HOH   237 637 234 HOH   HOH AAA . 
F 5 HOH   238 638 105 HOH   HOH AAA . 
F 5 HOH   239 639 192 HOH   HOH AAA . 
F 5 HOH   240 640 150 HOH   HOH AAA . 
F 5 HOH   241 641 245 HOH   HOH AAA . 
F 5 HOH   242 642 236 HOH   HOH AAA . 
F 5 HOH   243 643 162 HOH   HOH AAA . 
F 5 HOH   244 644 140 HOH   HOH AAA . 
F 5 HOH   245 645 165 HOH   HOH AAA . 
F 5 HOH   246 646 212 HOH   HOH AAA . 
F 5 HOH   247 647 213 HOH   HOH AAA . 
F 5 HOH   248 648 171 HOH   HOH AAA . 
F 5 HOH   249 649 152 HOH   HOH AAA . 
F 5 HOH   250 650 146 HOH   HOH AAA . 
F 5 HOH   251 651 254 HOH   HOH AAA . 
F 5 HOH   252 652 199 HOH   HOH AAA . 
F 5 HOH   253 653 92  HOH   HOH AAA . 
F 5 HOH   254 654 44  HOH   HOH AAA . 
F 5 HOH   255 655 201 HOH   HOH AAA . 
F 5 HOH   256 656 198 HOH   HOH AAA . 
F 5 HOH   257 657 214 HOH   HOH AAA . 
F 5 HOH   258 658 248 HOH   HOH AAA . 
F 5 HOH   259 659 255 HOH   HOH AAA . 
F 5 HOH   260 660 238 HOH   HOH AAA . 
F 5 HOH   261 661 167 HOH   HOH AAA . 
F 5 HOH   262 662 247 HOH   HOH AAA . 
F 5 HOH   263 663 58  HOH   HOH AAA . 
F 5 HOH   264 664 203 HOH   HOH AAA . 
F 5 HOH   265 665 172 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                     9GCC 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     74.150 
_cell.length_a_esd                 ? 
_cell.length_b                     74.150 
_cell.length_b_esd                 ? 
_cell.length_c                     49.450 
_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                         9GCC 
_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                   9GCC 
_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             2.86 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          57.02 
_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              8 
_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         2010-01-28 
_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                                       9GCC 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.79 
_reflns.d_resolution_low                               41.14 
_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                                     25367 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                14.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          29.7 
_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                              0.066 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.79 
_reflns_shell.d_res_low                                     1.89 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           8.6 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             3649 
_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                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.280 
_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]                            0.016 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            0.016 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            -0.031 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               31.928 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.957 
_refine.correlation_coeff_Fo_to_Fc_free          0.930 
_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                                 9GCC 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.793 
_refine.ls_d_res_low                             41.14 
_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                     25347 
_refine.ls_number_reflns_R_free                  1293 
_refine.ls_number_reflns_R_work                  24054 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.858 
_refine.ls_percent_reflns_R_free                 5.101 
_refine.ls_R_factor_all                          0.166 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1980 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1639 
_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                       0.107 
_refine.pdbx_overall_ESU_R_Free                  0.105 
_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.details                          ? 
_refine_hist.d_res_high                       1.793 
_refine_hist.d_res_low                        41.14 
_refine_hist.number_atoms_solvent             265 
_refine_hist.number_atoms_total               2023 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1666 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         92 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.014  0.012  1800 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 1.745  1.723  2434 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 6.736  5.000  209  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 31.235 20.833 84   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.812 15.000 294  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 19.303 15.000 13   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.083  0.200  241  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.015  0.020  1310 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.296  0.200  852  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.314  0.200  1225 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.198  0.200  193  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.092  0.200  2    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.278  0.200  35   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.196  0.200  23   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 0.119  0.200  2    ? r_symmetry_metal_ion_refined   ? ? 
'X-RAY DIFFRACTION' ? 2.203  2.652  854  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.930  3.968  1057 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.273  3.327  946  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.456  4.781  1377 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 7.799  40.388 2858 ? 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' 1.793 1.839 . . 94 1758 98.2493  . . . . 0.248 . . . . . . . . . . . 0.277 
'X-RAY DIFFRACTION' 1.839 1.890 . . 88 1702 100.0000 . . . . 0.188 . . . . . . . . . . . 0.214 
'X-RAY DIFFRACTION' 1.890 1.944 . . 80 1680 100.0000 . . . . 0.172 . . . . . . . . . . . 0.196 
'X-RAY DIFFRACTION' 1.944 2.004 . . 87 1638 100.0000 . . . . 0.158 . . . . . . . . . . . 0.183 
'X-RAY DIFFRACTION' 2.004 2.070 . . 81 1597 100.0000 . . . . 0.160 . . . . . . . . . . . 0.169 
'X-RAY DIFFRACTION' 2.070 2.142 . . 83 1506 100.0000 . . . . 0.155 . . . . . . . . . . . 0.201 
'X-RAY DIFFRACTION' 2.142 2.223 . . 99 1470 100.0000 . . . . 0.162 . . . . . . . . . . . 0.191 
'X-RAY DIFFRACTION' 2.223 2.313 . . 82 1381 100.0000 . . . . 0.160 . . . . . . . . . . . 0.216 
'X-RAY DIFFRACTION' 2.313 2.416 . . 76 1374 100.0000 . . . . 0.149 . . . . . . . . . . . 0.176 
'X-RAY DIFFRACTION' 2.416 2.533 . . 81 1290 100.0000 . . . . 0.151 . . . . . . . . . . . 0.207 
'X-RAY DIFFRACTION' 2.533 2.670 . . 63 1250 100.0000 . . . . 0.164 . . . . . . . . . . . 0.187 
'X-RAY DIFFRACTION' 2.670 2.831 . . 63 1173 100.0000 . . . . 0.163 . . . . . . . . . . . 0.181 
'X-RAY DIFFRACTION' 2.831 3.025 . . 56 1125 100.0000 . . . . 0.171 . . . . . . . . . . . 0.204 
'X-RAY DIFFRACTION' 3.025 3.266 . . 57 1028 100.0000 . . . . 0.161 . . . . . . . . . . . 0.206 
'X-RAY DIFFRACTION' 3.266 3.576 . . 45 955  100.0000 . . . . 0.154 . . . . . . . . . . . 0.212 
'X-RAY DIFFRACTION' 3.576 3.994 . . 46 873  100.0000 . . . . 0.140 . . . . . . . . . . . 0.156 
'X-RAY DIFFRACTION' 3.994 4.605 . . 34 776  100.0000 . . . . 0.133 . . . . . . . . . . . 0.149 
'X-RAY DIFFRACTION' 4.605 5.622 . . 32 653  100.0000 . . . . 0.153 . . . . . . . . . . . 0.210 
'X-RAY DIFFRACTION' 5.622 7.878 . . 34 514  100.0000 . . . . 0.225 . . . . . . . . . . . 0.256 
'X-RAY DIFFRACTION' 7.878 41.14 . . 12 311  99.6914  . . . . 0.251 . . . . . . . . . . . 0.308 
# 
_struct.entry_id                     9GCC 
_struct.title                        'CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH COMPOUND47' 
_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        9GCC 
_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 2 ? 
D N N 3 ? 
E N N 4 ? 
F N N 5 ? 
# 
_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              9GCC 
_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 9GCC ARG AAA 114 ? UNP P23946 PHE 135 'engineered mutation' 127 1 
1 9GCC ALA AAA 191 ? UNP P23946 VAL 212 'engineered mutation' 208 2 
1 9GCC 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)' 820   ? 
1 MORE         -12   ? 
1 'SSA (A^2)'  11050 ? 
# 
_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 ? ? ? ? ? ? ? 2.053 ? ? 
disulf2 disulf ?    ? A CYS 123 SG  ? ? ? 1_555 A CYS 188 SG ? ? AAA CYS 136 AAA CYS 201 1_555 ? ? ? ? ? ? ? 2.022 ? ? 
disulf3 disulf ?    ? A CYS 154 SG  ? ? ? 1_555 A CYS 167 SG ? ? AAA CYS 168 AAA CYS 182 1_555 ? ? ? ? ? ? ? 2.027 ? ? 
covale1 covale one  ? A ASN 59  ND2 ? ? ? 1_555 C NAG .   C1 ? ? AAA ASN 72  AbA NAG 1   1_555 ? ? ? ? ? ? ? 1.435 ? 
N-Glycosylation 
covale2 covale one  ? A ASN 82  ND2 ? ? ? 1_555 B NAG .   C1 ? ? AAA ASN 95  AaA NAG 1   1_555 ? ? ? ? ? ? ? 1.438 ? 
N-Glycosylation 
covale3 covale both ? B NAG .   O4  ? ? ? 1_555 B NAG .   C1 ? ? AaA NAG 1   AaA NAG 2   1_555 ? ? ? ? ? ? ? 1.441 ? ? 
covale4 covale both ? C NAG .   O4  ? ? ? 1_555 C NAG .   C1 ? ? AbA NAG 1   AbA NAG 2   1_555 ? ? ? ? ? ? ? 1.450 ? ? 
metalc1 metalc ?    ? A HIS 10  NE2 ? ? ? 1_555 E ZN  .   ZN ? ? AAA HIS 25  AAA ZN  302 1_555 ? ? ? ? ? ? ? 2.041 ? ? 
metalc2 metalc ?    ? A GLU 64  OE2 ? ? ? 1_555 E ZN  .   ZN ? ? AAA GLU 78  AAA ZN  302 1_555 ? ? ? ? ? ? ? 1.892 ? ? 
metalc3 metalc ?    ? A GLU 71  OE2 ? ? ? 1_555 E ZN  .   ZN ? ? AAA GLU 84  AAA ZN  302 2_545 ? ? ? ? ? ? ? 1.973 ? ? 
metalc4 metalc ?    ? A LYS 96  NZ  ? ? ? 1_555 E ZN  .   ZN ? ? AAA LYS 109 AAA ZN  302 2_545 ? ? ? ? ? ? ? 1.898 ? ? 
# 
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 302 ? 1_555 OE2 ? A GLU 64 ? AAA GLU 78  ? 1_555 120.2 ? 
2 NE2 ? A HIS 10 ? AAA HIS 25 ? 1_555 ZN ? E ZN . ? AAA ZN 302 ? 1_555 OE2 ? A GLU 71 ? AAA GLU 84  ? 1_555 70.7  ? 
3 OE2 ? A GLU 64 ? AAA GLU 78 ? 1_555 ZN ? E ZN . ? AAA ZN 302 ? 1_555 OE2 ? A GLU 71 ? AAA GLU 84  ? 1_555 49.7  ? 
4 NE2 ? A HIS 10 ? AAA HIS 25 ? 1_555 ZN ? E ZN . ? AAA ZN 302 ? 1_555 NZ  ? A LYS 96 ? AAA LYS 109 ? 1_555 71.9  ? 
5 OE2 ? A GLU 64 ? AAA GLU 78 ? 1_555 ZN ? E ZN . ? AAA ZN 302 ? 1_555 NZ  ? A LYS 96 ? AAA LYS 109 ? 1_555 49.5  ? 
6 OE2 ? A GLU 71 ? AAA GLU 84 ? 1_555 ZN ? E ZN . ? AAA ZN 302 ? 1_555 NZ  ? A LYS 96 ? AAA LYS 109 ? 1_555 6.5   ? 
# 
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 82  ? NAG AaA 1   ? 1_555 ASN AAA 95  ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate       
2 NAG C .   ? ASN A 59  ? NAG AbA 1   ? 1_555 ASN AAA 72  ? 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       2.74 
# 
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                   9GCC 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O  AAA HOH 608 ? ? O AAA HOH 625 ? ? 1.98 
2 1 OG AAA SER 195 ? ? O AAA HOH 401 ? ? 2.18 
3 1 SG AAA CYS 22  ? ? O AAA HOH 608 ? ? 2.19 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE AAA ARG 174 ? ? CZ AAA ARG 174 ? ? NH1 AAA ARG 174 ? ? 123.57 120.30 3.27  0.50 N 
2 1 NE AAA ARG 174 ? ? CZ AAA ARG 174 ? ? NH2 AAA ARG 174 ? ? 114.21 120.30 -6.09 0.50 N 
# 
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  ? ? -125.51 -74.54 
2 1 SER AAA 214 ? ? -121.64 -66.35 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? AAA HOH 664 ? 6.85 . 
2 1 O ? AAA HOH 665 ? 7.07 . 
# 
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 
A1IJ0 C4   C  Y N 1   
A1IJ0 C5   C  Y N 2   
A1IJ0 C6   C  Y N 3   
A1IJ0 C8   C  N N 4   
A1IJ0 C10  C  N N 5   
A1IJ0 C13  C  N N 6   
A1IJ0 C17  C  N N 7   
A1IJ0 C20  C  Y N 8   
A1IJ0 C21  C  Y N 9   
A1IJ0 C22  C  Y N 10  
A1IJ0 C24  C  N N 11  
A1IJ0 C23  C  Y N 12  
A1IJ0 C25  C  N N 13  
A1IJ0 F28  F  N N 14  
A1IJ0 F26  F  N N 15  
A1IJ0 F27  F  N N 16  
A1IJ0 C19  C  Y N 17  
A1IJ0 C18  C  Y N 18  
A1IJ0 N9   N  N N 19  
A1IJ0 O29  O  N N 20  
A1IJ0 O16  O  N N 21  
A1IJ0 C11  C  N N 22  
A1IJ0 O14  O  N N 23  
A1IJ0 O15  O  N N 24  
A1IJ0 C12  C  N N 25  
A1IJ0 N7   N  N N 26  
A1IJ0 N30  N  N N 27  
A1IJ0 C35  C  N N 28  
A1IJ0 C31  C  N N 29  
A1IJ0 O34  O  N N 30  
A1IJ0 N32  N  N N 31  
A1IJ0 C33  C  N N 32  
A1IJ0 C3   C  Y N 33  
A1IJ0 C2   C  Y N 34  
A1IJ0 C1   C  Y N 35  
A1IJ0 H5   H  N N 36  
A1IJ0 H17  H  N N 37  
A1IJ0 H27  H  N N 38  
A1IJ0 H20  H  N N 39  
A1IJ0 H21  H  N N 40  
A1IJ0 H24  H  N N 41  
A1IJ0 H26  H  N N 42  
A1IJ0 H25  H  N N 43  
A1IJ0 H19  H  N N 44  
A1IJ0 H2   H  N N 45  
A1IJ0 H12  H  N N 46  
A1IJ0 H35  H  N N 47  
A1IJ0 H5L  H  N N 48  
A1IJ0 H5M  H  N N 49  
A1IJ0 H5O  H  N N 50  
A1IJ0 H5N  H  N N 51  
A1IJ0 H33  H  N N 52  
A1IJ0 H22  H  N N 53  
A1IJ0 H1   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 
A1IJ0 C23 C24  sing N N 1   
A1IJ0 C23 C22  doub Y N 2   
A1IJ0 C23 C18  sing Y N 3   
A1IJ0 C22 C25  sing N N 4   
A1IJ0 C22 C21  sing Y N 5   
A1IJ0 C25 F28  sing N N 6   
A1IJ0 C25 F26  sing N N 7   
A1IJ0 C25 F27  sing N N 8   
A1IJ0 C21 C20  doub Y N 9   
A1IJ0 C20 C19  sing Y N 10  
A1IJ0 C18 C19  doub Y N 11  
A1IJ0 C18 C17  sing N N 12  
A1IJ0 N9  C17  sing N N 13  
A1IJ0 N9  C8   sing N N 14  
A1IJ0 N9  C10  sing N N 15  
A1IJ0 C8  O29  doub N N 16  
A1IJ0 C8  N7   sing N N 17  
A1IJ0 C10 O16  doub N N 18  
A1IJ0 C10 C11  sing N N 19  
A1IJ0 C11 C13  sing N N 20  
A1IJ0 C11 C12  doub N N 21  
A1IJ0 C13 O14  doub N N 22  
A1IJ0 C13 O15  sing N N 23  
A1IJ0 N7  C12  sing N N 24  
A1IJ0 N7  C6   sing N N 25  
A1IJ0 C6  C5   doub Y N 26  
A1IJ0 C6  C1   sing Y N 27  
A1IJ0 C4  C5   sing Y N 28  
A1IJ0 C4  N30  sing N N 29  
A1IJ0 C4  C3   doub Y N 30  
A1IJ0 N30 C35  sing N N 31  
A1IJ0 N30 C31  sing N N 32  
A1IJ0 C31 O34  doub N N 33  
A1IJ0 C31 N32  sing N N 34  
A1IJ0 N32 C33  sing N N 35  
A1IJ0 N32 C3   sing N N 36  
A1IJ0 C3  C2   sing Y N 37  
A1IJ0 C2  C1   doub Y N 38  
A1IJ0 C5  H5   sing N N 39  
A1IJ0 C17 H17  sing N N 40  
A1IJ0 C17 H27  sing N N 41  
A1IJ0 C20 H20  sing N N 42  
A1IJ0 C21 H21  sing N N 43  
A1IJ0 C24 H24  sing N N 44  
A1IJ0 C24 H26  sing N N 45  
A1IJ0 C24 H25  sing N N 46  
A1IJ0 C19 H19  sing N N 47  
A1IJ0 O15 H2   sing N N 48  
A1IJ0 C12 H12  sing N N 49  
A1IJ0 C35 H35  sing N N 50  
A1IJ0 C35 H5L  sing N N 51  
A1IJ0 C35 H5M  sing N N 52  
A1IJ0 C33 H5O  sing N N 53  
A1IJ0 C33 H5N  sing N N 54  
A1IJ0 C33 H33  sing N N 55  
A1IJ0 C2  H22  sing N N 56  
A1IJ0 C1  H1   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                    9GCC 
_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]   0.013486 
_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]   0.013486 
_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]   0.020222 
_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   ? -20.854 -30.183 -10.518 1.000 25.790  0 16  ILE   AAA N   1 ? 
ATOM   2    C  CA  . ILE   A 1 1   ? -21.258 -29.216 -11.559 1.000 25.114  0 16  ILE   AAA CA  1 ? 
ATOM   3    C  C   . ILE   A 1 1   ? -22.585 -29.694 -12.156 1.000 24.924  0 16  ILE   AAA C   1 ? 
ATOM   4    O  O   . ILE   A 1 1   ? -22.688 -30.798 -12.658 1.000 27.035  0 16  ILE   AAA O   1 ? 
ATOM   5    C  CB  . ILE   A 1 1   ? -20.158 -29.035 -12.609 1.000 23.303  0 16  ILE   AAA CB  1 ? 
ATOM   6    C  CG1 . ILE   A 1 1   ? -18.841 -28.571 -11.979 1.000 23.350  0 16  ILE   AAA CG1 1 ? 
ATOM   7    C  CG2 . ILE   A 1 1   ? -20.564 -28.109 -13.744 1.000 25.972  0 16  ILE   AAA CG2 1 ? 
ATOM   8    C  CD1 . ILE   A 1 1   ? -18.786 -27.103 -11.648 1.000 24.042  0 16  ILE   AAA CD1 1 ? 
ATOM   9    N  N   . ILE   A 1 2   ? -23.574 -28.803 -12.132 1.000 27.872  0 17  ILE   AAA N   1 ? 
ATOM   10   C  CA  . ILE   A 1 2   ? -24.875 -29.037 -12.724 1.000 28.330  0 17  ILE   AAA CA  1 ? 
ATOM   11   C  C   . ILE   A 1 2   ? -24.960 -28.312 -14.057 1.000 25.948  0 17  ILE   AAA C   1 ? 
ATOM   12   O  O   . ILE   A 1 2   ? -24.714 -27.114 -14.158 1.000 25.190  0 17  ILE   AAA O   1 ? 
ATOM   13   C  CB  . ILE   A 1 2   ? -26.010 -28.597 -11.771 1.000 27.964  0 17  ILE   AAA CB  1 ? 
ATOM   14   C  CG1 . ILE   A 1 2   ? -25.934 -29.340 -10.443 1.000 29.438  0 17  ILE   AAA CG1 1 ? 
ATOM   15   C  CG2 . ILE   A 1 2   ? -27.373 -28.802 -12.432 1.000 32.130  0 17  ILE   AAA CG2 1 ? 
ATOM   16   C  CD1 . ILE   A 1 2   ? -26.814 -28.783 -9.359  1.000 33.272  0 17  ILE   AAA CD1 1 ? 
ATOM   17   N  N   . GLY   A 1 3   ? -25.329 -29.060 -15.104 1.000 29.109  0 18  GLY   AAA N   1 ? 
ATOM   18   C  CA  . GLY   A 1 3   ? -25.594 -28.450 -16.401 1.000 30.140  0 18  GLY   AAA CA  1 ? 
ATOM   19   C  C   . GLY   A 1 3   ? -24.334 -28.146 -17.194 1.000 33.072  0 18  GLY   AAA C   1 ? 
ATOM   20   O  O   . GLY   A 1 3   ? -24.349 -27.330 -18.110 1.000 31.978  0 18  GLY   AAA O   1 ? 
ATOM   21   N  N   . GLY   A 1 4   ? -23.239 -28.820 -16.841 1.000 34.446  0 19  GLY   AAA N   1 ? 
ATOM   22   C  CA  . GLY   A 1 4   ? -21.961 -28.564 -17.477 1.000 34.083  0 19  GLY   AAA CA  1 ? 
ATOM   23   C  C   . GLY   A 1 4   ? -21.686 -29.661 -18.490 1.000 30.819  0 19  GLY   AAA C   1 ? 
ATOM   24   O  O   . GLY   A 1 4   ? -22.577 -30.467 -18.803 1.000 31.322  0 19  GLY   AAA O   1 ? 
ATOM   25   N  N   . THR   A 1 5   ? -20.434 -29.720 -18.929 1.000 30.598  0 20  THR   AAA N   1 ? 
ATOM   26   C  CA  . THR   A 1 5   ? -20.009 -30.709 -19.904 1.000 34.265  0 20  THR   AAA CA  1 ? 
ATOM   27   C  C   . THR   A 1 5   ? -18.671 -31.267 -19.446 1.000 31.509  0 20  THR   AAA C   1 ? 
ATOM   28   O  O   . THR   A 1 5   ? -17.927 -30.577 -18.749 1.000 27.982  0 20  THR   AAA O   1 ? 
ATOM   29   C  CB  . THR   A 1 5   ? -19.929 -30.039 -21.280 1.000 39.781  0 20  THR   AAA CB  1 ? 
ATOM   30   O  OG1 . THR   A 1 5   ? -18.863 -29.107 -21.340 1.000 41.115  0 20  THR   AAA OG1 1 ? 
ATOM   31   C  CG2 . THR   A 1 5   ? -21.154 -29.224 -21.596 1.000 40.344  0 20  THR   AAA CG2 1 ? 
ATOM   32   N  N   . GLU   A 1 6   ? -18.389 -32.508 -19.817 1.000 29.306  0 21  GLU   AAA N   1 ? 
ATOM   33   C  CA  . GLU   A 1 6   ? -17.126 -33.108 -19.451 1.000 28.638  0 21  GLU   AAA CA  1 ? 
ATOM   34   C  C   . GLU   A 1 6   ? -15.989 -32.396 -20.170 1.000 30.238  0 21  GLU   AAA C   1 ? 
ATOM   35   O  O   . GLU   A 1 6   ? -16.007 -32.201 -21.396 1.000 29.490  0 21  GLU   AAA O   1 ? 
ATOM   36   C  CB  . GLU   A 1 6   ? -17.126 -34.615 -19.750 1.000 33.459  0 21  GLU   AAA CB  1 ? 
ATOM   37   C  CG  . GLU   A 1 6   ? -15.841 -35.314 -19.323 1.000 31.180  0 21  GLU   AAA CG  1 ? 
ATOM   38   C  CD  . GLU   A 1 6   ? -15.712 -36.758 -19.769 1.000 35.394  0 21  GLU   AAA CD  1 ? 
ATOM   39   O  OE1 . GLU   A 1 6   ? -16.707 -37.264 -20.325 1.000 37.523  0 21  GLU   AAA OE1 1 ? 
ATOM   40   O  OE2 . GLU   A 1 6   ? -14.607 -37.349 -19.627 1.000 32.146  0 21  GLU   AAA OE2 1 ? 
ATOM   41   N  N   . CYS   A 1 7   ? -14.942 -32.091 -19.412 1.000 30.425  0 22  CYS   AAA N   1 ? 
ATOM   42   C  CA  . CYS   A 1 7   ? -13.763 -31.479 -19.995 1.000 30.114  0 22  CYS   AAA CA  1 ? 
ATOM   43   C  C   . CYS   A 1 7   ? -12.973 -32.471 -20.839 1.000 28.022  0 22  CYS   AAA C   1 ? 
ATOM   44   O  O   . CYS   A 1 7   ? -12.957 -33.649 -20.545 1.000 29.598  0 22  CYS   AAA O   1 ? 
ATOM   45   C  CB  . CYS   A 1 7   ? -12.856 -30.927 -18.914 1.000 31.391  0 22  CYS   AAA CB  1 ? 
ATOM   46   S  SG  . CYS   A 1 7   ? -13.608 -29.555 -17.989 1.000 34.628  0 22  CYS   AAA SG  1 ? 
ATOM   47   N  N   . LYS   A 1 8   ? -12.265 -31.967 -21.853 1.000 30.675  0 23  LYS   AAA N   1 ? 
ATOM   48   C  CA  . LYS   A 1 8   ? -11.186 -32.713 -22.471 1.000 32.054  0 23  LYS   AAA CA  1 ? 
ATOM   49   C  C   . LYS   A 1 8   ? -10.188 -33.048 -21.373 1.000 27.740  0 23  LYS   AAA C   1 ? 
ATOM   50   O  O   . LYS   A 1 8   ? -9.827  -32.168 -20.582 1.000 27.053  0 23  LYS   AAA O   1 ? 
ATOM   51   C  CB  . LYS   A 1 8   ? -10.443 -31.941 -23.558 1.000 35.002  0 23  LYS   AAA CB  1 ? 
ATOM   52   C  CG  . LYS   A 1 8   ? -9.478  -32.808 -24.373 1.000 44.461  0 23  LYS   AAA CG  1 ? 
ATOM   53   C  CD  . LYS   A 1 8   ? -8.374  -32.092 -25.144 1.000 56.728  0 23  LYS   AAA CD  1 ? 
ATOM   54   C  CE  . LYS   A 1 8   ? -8.812  -30.821 -25.838 1.000 66.821  0 23  LYS   AAA CE  1 ? 
ATOM   55   N  NZ  . LYS   A 1 8   ? -7.733  -30.283 -26.705 1.000 73.543  0 23  LYS   AAA NZ  1 ? 
ATOM   56   N  N   . PRO   A 1 9   ? -9.791  -34.316 -21.212 1.000 28.361  0 24  PRO   AAA N   1 ? 
ATOM   57   C  CA  . PRO   A 1 9   ? -8.885  -34.670 -20.122 1.000 26.095  0 24  PRO   AAA CA  1 ? 
ATOM   58   C  C   . PRO   A 1 9   ? -7.635  -33.791 -20.075 1.000 25.935  0 24  PRO   AAA C   1 ? 
ATOM   59   O  O   . PRO   A 1 9   ? -6.947  -33.605 -21.084 1.000 25.682  0 24  PRO   AAA O   1 ? 
ATOM   60   C  CB  . PRO   A 1 9   ? -8.550  -36.152 -20.327 1.000 27.764  0 24  PRO   AAA CB  1 ? 
ATOM   61   C  CG  . PRO   A 1 9   ? -9.701  -36.685 -21.238 1.000 31.954  0 24  PRO   AAA CG  1 ? 
ATOM   62   C  CD  . PRO   A 1 9   ? -10.225 -35.488 -22.007 1.000 29.514  0 24  PRO   AAA CD  1 ? 
ATOM   63   N  N   . HIS   A 1 10  ? -7.359  -33.273 -18.867 1.000 24.000  0 25  HIS   AAA N   1 ? 
ATOM   64   C  CA  . HIS   A 1 10  ? -6.149  -32.510 -18.581 1.000 23.908  0 25  HIS   AAA CA  1 ? 
ATOM   65   C  C   . HIS   A 1 10  ? -6.133  -31.130 -19.225 1.000 24.574  0 25  HIS   AAA C   1 ? 
ATOM   66   O  O   . HIS   A 1 10  ? -5.106  -30.463 -19.165 1.000 23.698  0 25  HIS   AAA O   1 ? 
ATOM   67   C  CB  . HIS   A 1 10  ? -4.883  -33.289 -18.938 1.000 25.285  0 25  HIS   AAA CB  1 ? 
ATOM   68   C  CG  . HIS   A 1 10  ? -4.960  -34.706 -18.504 1.000 23.161  0 25  HIS   AAA CG  1 ? 
ATOM   69   N  ND1 . HIS   A 1 10  ? -5.134  -35.037 -17.195 1.000 21.684  0 25  HIS   AAA ND1 1 ? 
ATOM   70   C  CD2 . HIS   A 1 10  ? -4.965  -35.858 -19.177 1.000 24.211  0 25  HIS   AAA CD2 1 ? 
ATOM   71   C  CE1 . HIS   A 1 10  ? -5.188  -36.373 -17.099 1.000 23.253  0 25  HIS   AAA CE1 1 ? 
ATOM   72   N  NE2 . HIS   A 1 10  ? -5.086  -36.884 -18.276 1.000 23.540  0 25  HIS   AAA NE2 1 ? 
ATOM   73   N  N   . SER   A 1 11  ? -7.299  -30.629 -19.626 1.000 26.185  0 26  SER   AAA N   1 ? 
ATOM   74   C  CA  . SER   A 1 11  ? -7.412  -29.326 -20.266 1.000 25.485  0 26  SER   AAA CA  1 ? 
ATOM   75   C  C   . SER   A 1 11  ? -7.433  -28.196 -19.227 1.000 26.864  0 26  SER   AAA C   1 ? 
ATOM   76   O  O   . SER   A 1 11  ? -7.292  -27.050 -19.598 1.000 23.898  0 26  SER   AAA O   1 ? 
ATOM   77   C  CB  . SER   A 1 11  ? -8.618  -29.276 -21.187 1.000 28.390  0 26  SER   AAA CB  1 ? 
ATOM   78   O  OG  . SER   A 1 11  ? -9.825  -29.332 -20.432 1.000 28.761  0 26  SER   AAA OG  1 ? 
ATOM   79   N  N   . ARG   A 1 12  ? -7.526  -28.515 -17.929 1.000 22.137  0 27  ARG   AAA N   1 ? 
ATOM   80   C  CA  . ARG   A 1 12  ? -7.475  -27.539 -16.858 1.000 24.334  0 27  ARG   AAA CA  1 ? 
ATOM   81   C  C   . ARG   A 1 12  ? -6.410  -27.950 -15.855 1.000 22.805  0 27  ARG   AAA C   1 ? 
ATOM   82   O  O   . ARG   A 1 12  ? -6.686  -28.455 -14.746 1.000 20.900  0 27  ARG   AAA O   1 ? 
ATOM   83   C  CB  . ARG   A 1 12  ? -8.834  -27.440 -16.156 1.000 24.377  0 27  ARG   AAA CB  1 ? 
ATOM   84   C  CG  . ARG   A 1 12  ? -9.992  -27.149 -17.100 1.000 29.101  0 27  ARG   AAA CG  1 ? 
ATOM   85   C  CD  . ARG   A 1 12  ? -9.882  -25.792 -17.746 1.000 32.580  0 27  ARG   AAA CD  1 ? 
ATOM   86   N  NE  . ARG   A 1 12  ? -11.047 -25.416 -18.572 1.000 34.207  0 27  ARG   AAA NE  1 ? 
ATOM   87   C  CZ  . ARG   A 1 12  ? -11.045 -25.358 -19.898 1.000 41.573  0 27  ARG   AAA CZ  1 ? 
ATOM   88   N  NH1 . ARG   A 1 12  ? -9.971  -25.727 -20.582 1.000 40.686  0 27  ARG   AAA NH1 1 ? 
ATOM   89   N  NH2 . ARG   A 1 12  ? -12.136 -24.968 -20.544 1.000 36.167  0 27  ARG   AAA NH2 1 ? 
ATOM   90   N  N   . PRO   A 1 13  ? -5.131  -27.816 -16.231 1.000 22.218  0 28  PRO   AAA N   1 ? 
ATOM   91   C  CA  . PRO   A 1 13  ? -4.090  -28.527 -15.508 1.000 22.237  0 28  PRO   AAA CA  1 ? 
ATOM   92   C  C   . PRO   A 1 13  ? -3.746  -28.020 -14.108 1.000 22.374  0 28  PRO   AAA C   1 ? 
ATOM   93   O  O   . PRO   A 1 13  ? -3.038  -28.694 -13.347 1.000 21.603  0 28  PRO   AAA O   1 ? 
ATOM   94   C  CB  . PRO   A 1 13  ? -2.890  -28.437 -16.476 1.000 24.677  0 28  PRO   AAA CB  1 ? 
ATOM   95   C  CG  . PRO   A 1 13  ? -3.155  -27.284 -17.385 1.000 26.711  0 28  PRO   AAA CG  1 ? 
ATOM   96   C  CD  . PRO   A 1 13  ? -4.648  -27.123 -17.449 1.000 24.982  0 28  PRO   AAA CD  1 ? 
ATOM   97   N  N   . TYR   A 1 14  ? -4.370  -26.891 -13.732 1.000 21.016  0 29  TYR   AAA N   1 ? 
ATOM   98   C  CA  . TYR   A 1 14  ? -4.233  -26.351 -12.393 1.000 21.776  0 29  TYR   AAA CA  1 ? 
ATOM   99   C  C   . TYR   A 1 14  ? -5.241  -26.949 -11.415 1.000 22.118  0 29  TYR   AAA C   1 ? 
ATOM   100  O  O   . TYR   A 1 14  ? -5.139  -26.672 -10.213 1.000 20.763  0 29  TYR   AAA O   1 ? 
ATOM   101  C  CB  . TYR   A 1 14  ? -4.454  -24.829 -12.435 1.000 22.663  0 29  TYR   AAA CB  1 ? 
ATOM   102  C  CG  . TYR   A 1 14  ? -5.649  -24.413 -13.244 1.000 21.826  0 29  TYR   AAA CG  1 ? 
ATOM   103  C  CD1 . TYR   A 1 14  ? -6.921  -24.463 -12.717 1.000 21.339  0 29  TYR   AAA CD1 1 ? 
ATOM   104  C  CD2 . TYR   A 1 14  ? -5.509  -24.023 -14.568 1.000 24.182  0 29  TYR   AAA CD2 1 ? 
ATOM   105  C  CE1 . TYR   A 1 14  ? -8.041  -24.151 -13.458 1.000 23.755  0 29  TYR   AAA CE1 1 ? 
ATOM   106  C  CE2 . TYR   A 1 14  ? -6.620  -23.745 -15.331 1.000 25.687  0 29  TYR   AAA CE2 1 ? 
ATOM   107  C  CZ  . TYR   A 1 14  ? -7.879  -23.767 -14.773 1.000 27.056  0 29  TYR   AAA CZ  1 ? 
ATOM   108  O  OH  . TYR   A 1 14  ? -9.010  -23.457 -15.488 1.000 25.874  0 29  TYR   AAA OH  1 ? 
ATOM   109  N  N   . MET   A 1 15  ? -6.205  -27.750 -11.897 1.000 20.855  0 30  MET   AAA N   1 ? 
ATOM   110  C  CA  . MET   A 1 15  ? -7.283  -28.214 -11.033 1.000 18.915  0 30  MET   AAA CA  1 ? 
ATOM   111  C  C   . MET   A 1 15  ? -6.765  -29.234 -10.030 1.000 20.681  0 30  MET   AAA C   1 ? 
ATOM   112  O  O   . MET   A 1 15  ? -6.009  -30.147 -10.372 1.000 23.261  0 30  MET   AAA O   1 ? 
ATOM   113  C  CB  . MET   A 1 15  ? -8.439  -28.793 -11.837 1.000 21.389  0 30  MET   AAA CB  1 ? 
ATOM   114  C  CG  . MET   A 1 15  ? -9.294  -27.738 -12.512 1.000 23.682  0 30  MET   AAA CG  1 ? 
ATOM   115  S  SD  . MET   A 1 15  ? -10.059 -26.549 -11.347 1.000 23.645  0 30  MET   AAA SD  1 ? 
ATOM   116  C  CE  . MET   A 1 15  ? -10.980 -27.657 -10.273 1.000 21.955  0 30  MET   AAA CE  1 ? 
ATOM   117  N  N   . ALA   A 1 16  ? -7.196  -29.097 -8.768  1.000 20.313  0 31  ALA   AAA N   1 ? 
ATOM   118  C  CA  . ALA   A 1 16  ? -6.804  -30.000 -7.692  1.000 21.192  0 31  ALA   AAA CA  1 ? 
ATOM   119  C  C   . ALA   A 1 16  ? -8.053  -30.642 -7.086  1.000 20.021  0 31  ALA   AAA C   1 ? 
ATOM   120  O  O   . ALA   A 1 16  ? -9.078  -29.987 -6.905  1.000 21.042  0 31  ALA   AAA O   1 ? 
ATOM   121  C  CB  . ALA   A 1 16  ? -6.027  -29.260 -6.631  1.000 21.471  0 31  ALA   AAA CB  1 ? 
ATOM   122  N  N   . TYR   A 1 17  ? -7.966  -31.964 -6.861  1.000 20.326  0 32  TYR   AAA N   1 ? 
ATOM   123  C  CA  . TYR   A 1 17  ? -9.007  -32.743 -6.228  1.000 19.902  0 32  TYR   AAA CA  1 ? 
ATOM   124  C  C   . TYR   A 1 17  ? -8.534  -32.969 -4.795  1.000 20.710  0 32  TYR   AAA C   1 ? 
ATOM   125  O  O   . TYR   A 1 17  ? -7.467  -33.547 -4.589  1.000 21.374  0 32  TYR   AAA O   1 ? 
ATOM   126  C  CB  . TYR   A 1 17  ? -9.193  -34.046 -6.996  1.000 20.279  0 32  TYR   AAA CB  1 ? 
ATOM   127  C  CG  . TYR   A 1 17  ? -10.219 -35.016 -6.470  1.000 21.637  0 32  TYR   AAA CG  1 ? 
ATOM   128  C  CD1 . TYR   A 1 17  ? -11.580 -34.861 -6.731  1.000 22.437  0 32  TYR   AAA CD1 1 ? 
ATOM   129  C  CD2 . TYR   A 1 17  ? -9.844  -36.084 -5.687  1.000 25.598  0 32  TYR   AAA CD2 1 ? 
ATOM   130  C  CE1 . TYR   A 1 17  ? -12.519 -35.762 -6.285  1.000 22.468  0 32  TYR   AAA CE1 1 ? 
ATOM   131  C  CE2 . TYR   A 1 17  ? -10.772 -36.997 -5.223  1.000 26.501  0 32  TYR   AAA CE2 1 ? 
ATOM   132  C  CZ  . TYR   A 1 17  ? -12.119 -36.822 -5.504  1.000 25.377  0 32  TYR   AAA CZ  1 ? 
ATOM   133  O  OH  . TYR   A 1 17  ? -13.051 -37.785 -5.152  1.000 26.193  0 32  TYR   AAA OH  1 ? 
ATOM   134  N  N   . LEU   A 1 18  ? -9.364  -32.574 -3.822  1.000 20.042  0 33  LEU   AAA N   1 ? 
ATOM   135  C  CA  . LEU   A 1 18  ? -9.002  -32.665 -2.423  1.000 19.484  0 33  LEU   AAA CA  1 ? 
ATOM   136  C  C   . LEU   A 1 18  ? -9.831  -33.754 -1.759  1.000 18.805  0 33  LEU   AAA C   1 ? 
ATOM   137  O  O   . LEU   A 1 18  ? -11.046 -33.667 -1.768  1.000 19.623  0 33  LEU   AAA O   1 ? 
ATOM   138  C  CB  . LEU   A 1 18  ? -9.302  -31.323 -1.745  1.000 20.329  0 33  LEU   AAA CB  1 ? 
ATOM   139  C  CG  . LEU   A 1 18  ? -8.265  -30.213 -1.917  1.000 21.961  0 33  LEU   AAA CG  1 ? 
ATOM   140  C  CD1 . LEU   A 1 18  ? -7.895  -29.983 -3.371  1.000 23.645  0 33  LEU   AAA CD1 1 ? 
ATOM   141  C  CD2 . LEU   A 1 18  ? -8.740  -28.931 -1.246  1.000 20.981  0 33  LEU   AAA CD2 1 ? 
ATOM   142  N  N   . GLU   A 1 19  ? -9.146  -34.623 -1.007  1.000 20.584  0 34  GLU   AAA N   1 ? 
ATOM   143  C  CA  . GLU   A 1 19  ? -9.845  -35.611 -0.148  1.000 20.389  0 34  GLU   AAA CA  1 ? 
ATOM   144  C  C   . GLU   A 1 19  ? -9.575  -35.147 1.288   1.000 21.242  0 34  GLU   AAA C   1 ? 
ATOM   145  O  O   . GLU   A 1 19  ? -8.400  -35.144 1.689   1.000 22.734  0 34  GLU   AAA O   1 ? 
ATOM   146  C  CB  . GLU   A 1 19  ? -9.335  -37.035 -0.363  1.000 23.213  0 34  GLU   AAA CB  1 ? 
ATOM   147  C  CG  . GLU   A 1 19  ? -9.938  -38.028 0.614   1.000 27.751  0 34  GLU   AAA CG  1 ? 
ATOM   148  C  CD  . GLU   A 1 19  ? -9.914  -39.478 0.164   1.000 38.723  0 34  GLU   AAA CD  1 ? 
ATOM   149  O  OE1 . GLU   A 1 19  ? -9.322  -39.758 -0.893  1.000 37.907  0 34  GLU   AAA OE1 1 ? 
ATOM   150  O  OE2 . GLU   A 1 19  ? -10.483 -40.324 0.879   1.000 44.005  0 34  GLU   AAA OE2 1 ? 
ATOM   151  N  N   . ILE   A 1 20  ? -10.614 -34.751 2.018   1.000 21.884  0 35  ILE   AAA N   1 ? 
ATOM   152  C  CA  . ILE   A 1 20  ? -10.421 -34.162 3.374   1.000 23.637  0 35  ILE   AAA CA  1 ? 
ATOM   153  C  C   . ILE   A 1 20  ? -10.803 -35.178 4.450   1.000 23.461  0 35  ILE   AAA C   1 ? 
ATOM   154  O  O   . ILE   A 1 20  ? -11.924 -35.701 4.394   1.000 25.058  0 35  ILE   AAA O   1 ? 
ATOM   155  C  CB  . ILE   A 1 20  ? -11.246 -32.869 3.508   1.000 24.953  0 35  ILE   AAA CB  1 ? 
ATOM   156  C  CG1 . ILE   A 1 20  ? -10.880 -31.867 2.410   1.000 24.861  0 35  ILE   AAA CG1 1 ? 
ATOM   157  C  CG2 . ILE   A 1 20  ? -11.099 -32.269 4.896   1.000 25.293  0 35  ILE   AAA CG2 1 ? 
ATOM   158  C  CD1 . ILE   A 1 20  ? -11.993 -31.598 1.434   1.000 25.300  0 35  ILE   AAA CD1 1 ? 
ATOM   159  N  N   . VAL   A 1 21  ? -9.899  -35.398 5.403   1.000 24.116  0 36  VAL   AAA N   1 ? 
ATOM   160  C  CA  . VAL   A 1 21  ? -10.147 -36.391 6.483   1.000 28.432  0 36  VAL   AAA CA  1 ? 
ATOM   161  C  C   . VAL   A 1 21  ? -10.572 -35.669 7.764   1.000 31.004  0 36  VAL   AAA C   1 ? 
ATOM   162  O  O   . VAL   A 1 21  ? -9.967  -34.630 8.074   1.000 26.735  0 36  VAL   AAA O   1 ? 
ATOM   163  C  CB  . VAL   A 1 21  ? -8.891  -37.253 6.726   1.000 32.843  0 36  VAL   AAA CB  1 ? 
ATOM   164  C  CG1 . VAL   A 1 21  ? -9.011  -38.106 7.978   1.000 35.604  0 36  VAL   AAA CG1 1 ? 
ATOM   165  C  CG2 . VAL   A 1 21  ? -8.550  -38.107 5.515   1.000 34.286  0 36  VAL   AAA CG2 1 ? 
ATOM   166  N  N   . THR   A 1 22  A -11.593 -36.189 8.445   1.000 30.964  0 36  THR   AAA N   1 ? 
ATOM   167  C  CA  . THR   A 1 22  A -12.018 -35.655 9.765   1.000 37.702  0 36  THR   AAA CA  1 ? 
ATOM   168  C  C   . THR   A 1 22  A -11.912 -36.818 10.754  1.000 37.312  0 36  THR   AAA C   1 ? 
ATOM   169  O  O   . THR   A 1 22  A -11.975 -37.968 10.275  1.000 37.094  0 36  THR   AAA O   1 ? 
ATOM   170  C  CB  . THR   A 1 22  A -13.437 -35.089 9.696   1.000 39.484  0 36  THR   AAA CB  1 ? 
ATOM   171  O  OG1 . THR   A 1 22  A -14.293 -36.084 9.136   1.000 37.202  0 36  THR   AAA OG1 1 ? 
ATOM   172  C  CG2 . THR   A 1 22  A -13.508 -33.823 8.874   1.000 40.989  0 36  THR   AAA CG2 1 ? 
ATOM   173  N  N   . SER   A 1 23  B -11.785 -36.544 12.060  1.000 46.329  0 36  SER   AAA N   1 ? 
ATOM   174  C  CA  . SER   A 1 23  B -11.571 -37.629 13.014  1.000 48.398  0 36  SER   AAA CA  1 ? 
ATOM   175  C  C   . SER   A 1 23  B -12.865 -38.422 13.283  1.000 49.672  0 36  SER   AAA C   1 ? 
ATOM   176  O  O   . SER   A 1 23  B -12.771 -39.615 13.660  1.000 42.842  0 36  SER   AAA O   1 ? 
ATOM   177  C  CB  . SER   A 1 23  B -10.900 -37.131 14.286  1.000 56.186  0 36  SER   AAA CB  1 ? 
ATOM   178  O  OG  . SER   A 1 23  B -9.480  -36.988 14.103  1.000 58.128  0 36  SER   AAA OG  1 ? 
ATOM   179  N  N   . ASN   A 1 24  C -14.032 -37.788 12.996  1.000 42.150  0 36  ASN   AAA N   1 ? 
ATOM   180  C  CA  . ASN   A 1 24  C -15.351 -38.297 13.359  1.000 42.566  0 36  ASN   AAA CA  1 ? 
ATOM   181  C  C   . ASN   A 1 24  C -16.303 -38.537 12.174  1.000 38.052  0 36  ASN   AAA C   1 ? 
ATOM   182  O  O   . ASN   A 1 24  C -17.496 -38.758 12.366  1.000 42.658  0 36  ASN   AAA O   1 ? 
ATOM   183  C  CB  . ASN   A 1 24  C -16.078 -37.300 14.264  1.000 49.669  0 36  ASN   AAA CB  1 ? 
ATOM   184  C  CG  . ASN   A 1 24  C -16.364 -36.013 13.521  1.000 58.941  0 36  ASN   AAA CG  1 ? 
ATOM   185  O  OD1 . ASN   A 1 24  C -15.773 -35.742 12.473  1.000 56.412  0 36  ASN   AAA OD1 1 ? 
ATOM   186  N  ND2 . ASN   A 1 24  C -17.246 -35.197 14.072  1.000 71.180  0 36  ASN   AAA ND2 1 ? 
ATOM   187  N  N   . GLY   A 1 25  ? -15.848 -38.459 10.931  1.000 33.488  0 37  GLY   AAA N   1 ? 
ATOM   188  C  CA  . GLY   A 1 25  ? -16.674 -38.883 9.815   1.000 30.548  0 37  GLY   AAA CA  1 ? 
ATOM   189  C  C   . GLY   A 1 25  ? -15.820 -39.415 8.680   1.000 29.111  0 37  GLY   AAA C   1 ? 
ATOM   190  O  O   . GLY   A 1 25  ? -14.588 -39.415 8.757   1.000 27.845  0 37  GLY   AAA O   1 ? 
ATOM   191  N  N   . PRO   A 1 26  ? -16.463 -39.957 7.607   1.000 28.464  0 38  PRO   AAA N   1 ? 
ATOM   192  C  CA  . PRO   A 1 26  ? -15.738 -40.426 6.433   1.000 26.582  0 38  PRO   AAA CA  1 ? 
ATOM   193  C  C   . PRO   A 1 26  ? -15.197 -39.226 5.657   1.000 25.187  0 38  PRO   AAA C   1 ? 
ATOM   194  O  O   . PRO   A 1 26  ? -15.499 -38.075 5.984   1.000 24.974  0 38  PRO   AAA O   1 ? 
ATOM   195  C  CB  . PRO   A 1 26  ? -16.806 -41.205 5.626   1.000 29.454  0 38  PRO   AAA CB  1 ? 
ATOM   196  C  CG  . PRO   A 1 26  ? -18.087 -40.498 6.021   1.000 31.622  0 38  PRO   AAA CG  1 ? 
ATOM   197  C  CD  . PRO   A 1 26  ? -17.905 -40.247 7.509   1.000 31.785  0 38  PRO   AAA CD  1 ? 
ATOM   198  N  N   . SER   A 1 27  ? -14.373 -39.555 4.662   1.000 26.908  0 39  SER   AAA N   1 ? 
ATOM   199  C  CA  . SER   A 1 27  ? -13.800 -38.574 3.750   1.000 26.677  0 39  SER   AAA CA  1 ? 
ATOM   200  C  C   . SER   A 1 27  ? -14.841 -37.624 3.194   1.000 28.606  0 39  SER   AAA C   1 ? 
ATOM   201  O  O   . SER   A 1 27  ? -15.944 -38.027 2.847   1.000 29.361  0 39  SER   AAA O   1 ? 
ATOM   202  C  CB  . SER   A 1 27  ? -13.066 -39.296 2.649   1.000 27.340  0 39  SER   AAA CB  1 ? 
ATOM   203  O  OG  . SER   A 1 27  ? -11.860 -39.776 3.191   1.000 32.088  0 39  SER   AAA OG  1 ? 
ATOM   204  N  N   . LYS   A 1 28  ? -14.425 -36.358 2.991   1.000 25.116  0 40  LYS   AAA N   1 ? 
ATOM   205  C  CA  . LYS   A 1 28  ? -15.184 -35.381 2.229   1.000 28.219  0 40  LYS   AAA CA  1 ? 
ATOM   206  C  C   . LYS   A 1 28  ? -14.291 -34.881 1.083   1.000 23.232  0 40  LYS   AAA C   1 ? 
ATOM   207  O  O   . LYS   A 1 28  ? -13.078 -35.136 1.092   1.000 22.332  0 40  LYS   AAA O   1 ? 
ATOM   208  C  CB  . LYS   A 1 28  ? -15.609 -34.152 3.039   1.000 31.562  0 40  LYS   AAA CB  1 ? 
ATOM   209  C  CG  . LYS   A 1 28  ? -16.426 -34.375 4.311   1.000 44.242  0 40  LYS   AAA CG  1 ? 
ATOM   210  C  CD  . LYS   A 1 28  ? -17.880 -34.711 4.107   1.000 55.354  0 40  LYS   AAA CD  1 ? 
ATOM   211  C  CE  . LYS   A 1 28  ? -18.133 -36.194 3.870   1.000 63.165  0 40  LYS   AAA CE  1 ? 
ATOM   212  N  NZ  . LYS   A 1 28  ? -19.524 -36.604 4.197   1.000 56.086  0 40  LYS   AAA NZ  1 ? 
ATOM   213  N  N   . PHE   A 1 29  ? -14.918 -34.262 0.076   1.000 23.053  0 41  PHE   AAA N   1 ? 
ATOM   214  C  CA  . PHE   A 1 29  ? -14.192 -33.907 -1.151  1.000 22.645  0 41  PHE   AAA CA  1 ? 
ATOM   215  C  C   . PHE   A 1 29  ? -14.453 -32.440 -1.502  1.000 22.158  0 41  PHE   AAA C   1 ? 
ATOM   216  O  O   . PHE   A 1 29  ? -15.532 -31.874 -1.222  1.000 23.182  0 41  PHE   AAA O   1 ? 
ATOM   217  C  CB  . PHE   A 1 29  ? -14.528 -34.884 -2.284  1.000 25.869  0 41  PHE   AAA CB  1 ? 
ATOM   218  C  CG  . PHE   A 1 29  ? -14.303 -36.318 -1.892  1.000 27.403  0 41  PHE   AAA CG  1 ? 
ATOM   219  C  CD1 . PHE   A 1 29  ? -15.235 -37.016 -1.123  1.000 33.328  0 41  PHE   AAA CD1 1 ? 
ATOM   220  C  CD2 . PHE   A 1 29  ? -13.106 -36.944 -2.171  1.000 30.788  0 41  PHE   AAA CD2 1 ? 
ATOM   221  C  CE1 . PHE   A 1 29  ? -14.992 -38.328 -0.728  1.000 32.254  0 41  PHE   AAA CE1 1 ? 
ATOM   222  C  CE2 . PHE   A 1 29  ? -12.862 -38.251 -1.747  1.000 30.714  0 41  PHE   AAA CE2 1 ? 
ATOM   223  C  CZ  . PHE   A 1 29  ? -13.797 -38.927 -1.011  1.000 31.654  0 41  PHE   AAA CZ  1 ? 
ATOM   224  N  N   . CYS   A 1 30  ? -13.424 -31.798 -2.058  1.000 20.810  0 42  CYS   AAA N   1 ? 
ATOM   225  C  CA  . CYS   A 1 30  ? -13.497 -30.434 -2.562  1.000 18.568  0 42  CYS   AAA CA  1 ? 
ATOM   226  C  C   . CYS   A 1 30  ? -12.666 -30.338 -3.831  1.000 19.105  0 42  CYS   AAA C   1 ? 
ATOM   227  O  O   . CYS   A 1 30  ? -11.842 -31.215 -4.124  1.000 20.766  0 42  CYS   AAA O   1 ? 
ATOM   228  C  CB  . CYS   A 1 30  ? -12.968 -29.425 -1.534  1.000 19.660  0 42  CYS   AAA CB  1 ? 
ATOM   229  S  SG  . CYS   A 1 30  ? -14.148 -29.086 -0.183  1.000 23.034  0 42  CYS   AAA SG  1 ? 
ATOM   230  N  N   . GLY   A 1 31  ? -12.812 -29.208 -4.527  1.000 19.252  0 43  GLY   AAA N   1 ? 
ATOM   231  C  CA  . GLY   A 1 31  ? -11.823 -28.752 -5.477  1.000 18.884  0 43  GLY   AAA CA  1 ? 
ATOM   232  C  C   . GLY   A 1 31  ? -10.855 -27.732 -4.898  1.000 20.179  0 43  GLY   AAA C   1 ? 
ATOM   233  O  O   . GLY   A 1 31  ? -10.919 -27.363 -3.734  1.000 19.526  0 43  GLY   AAA O   1 ? 
ATOM   234  N  N   . GLY   A 1 32  ? -9.930  -27.300 -5.764  1.000 20.437  0 44  GLY   AAA N   1 ? 
ATOM   235  C  CA  . GLY   A 1 32  ? -8.935  -26.296 -5.472  1.000 20.202  0 44  GLY   AAA CA  1 ? 
ATOM   236  C  C   . GLY   A 1 32  ? -8.072  -26.114 -6.715  1.000 20.123  0 44  GLY   AAA C   1 ? 
ATOM   237  O  O   . GLY   A 1 32  ? -8.364  -26.707 -7.782  1.000 19.542  0 44  GLY   AAA O   1 ? 
ATOM   238  N  N   . PHE   A 1 33  ? -7.091  -25.229 -6.617  1.000 19.513  0 45  PHE   AAA N   1 ? 
ATOM   239  C  CA  . PHE   A 1 33  ? -6.265  -24.952 -7.781  1.000 21.060  0 45  PHE   AAA CA  1 ? 
ATOM   240  C  C   . PHE   A 1 33  ? -4.830  -24.659 -7.373  1.000 20.355  0 45  PHE   AAA C   1 ? 
ATOM   241  O  O   . PHE   A 1 33  ? -4.554  -24.008 -6.377  1.000 21.450  0 45  PHE   AAA O   1 ? 
ATOM   242  C  CB  . PHE   A 1 33  ? -6.886  -23.880 -8.699  1.000 21.045  0 45  PHE   AAA CB  1 ? 
ATOM   243  C  CG  . PHE   A 1 33  ? -7.316  -22.588 -8.037  1.000 24.737  0 45  PHE   AAA CG  1 ? 
ATOM   244  C  CD1 . PHE   A 1 33  ? -8.385  -22.554 -7.135  1.000 29.375  0 45  PHE   AAA CD1 1 ? 
ATOM   245  C  CD2 . PHE   A 1 33  ? -6.677  -21.411 -8.336  1.000 29.593  0 45  PHE   AAA CD2 1 ? 
ATOM   246  C  CE1 . PHE   A 1 33  ? -8.801  -21.365 -6.567  1.000 31.225  0 45  PHE   AAA CE1 1 ? 
ATOM   247  C  CE2 . PHE   A 1 33  ? -7.065  -20.226 -7.730  1.000 24.482  0 45  PHE   AAA CE2 1 ? 
ATOM   248  C  CZ  . PHE   A 1 33  ? -8.121  -20.204 -6.863  1.000 28.317  0 45  PHE   AAA CZ  1 ? 
ATOM   249  N  N   . LEU   A 1 34  ? -3.895  -25.162 -8.175  1.000 19.634  0 46  LEU   AAA N   1 ? 
ATOM   250  C  CA  . LEU   A 1 34  ? -2.475  -24.961 -7.901  1.000 20.250  0 46  LEU   AAA CA  1 ? 
ATOM   251  C  C   . LEU   A 1 34  ? -2.048  -23.556 -8.325  1.000 22.350  0 46  LEU   AAA C   1 ? 
ATOM   252  O  O   . LEU   A 1 34  ? -2.139  -23.215 -9.497  1.000 22.097  0 46  LEU   AAA O   1 ? 
ATOM   253  C  CB  . LEU   A 1 34  ? -1.716  -26.017 -8.717  1.000 21.203  0 46  LEU   AAA CB  1 ? 
ATOM   254  C  CG  . LEU   A 1 34  ? -0.253  -26.189 -8.350  1.000 21.542  0 46  LEU   AAA CG  1 ? 
ATOM   255  C  CD1 . LEU   A 1 34  ? -0.110  -26.931 -7.003  1.000 23.090  0 46  LEU   AAA CD1 1 ? 
ATOM   256  C  CD2 . LEU   A 1 34  ? 0.495   -26.949 -9.433  1.000 23.195  0 46  LEU   AAA CD2 1 ? 
ATOM   257  N  N   . ILE   A 1 35  ? -1.618  -22.737 -7.361  1.000 23.155  0 47  ILE   AAA N   1 ? 
ATOM   258  C  CA  . ILE   A 1 35  ? -1.183  -21.376 -7.661  1.000 22.168  0 47  ILE   AAA CA  1 ? 
ATOM   259  C  C   . ILE   A 1 35  ? 0.334   -21.249 -7.590  1.000 23.813  0 47  ILE   AAA C   1 ? 
ATOM   260  O  O   . ILE   A 1 35  ? 0.898   -20.256 -8.096  1.000 25.006  0 47  ILE   AAA O   1 ? 
ATOM   261  C  CB  . ILE   A 1 35  ? -1.879  -20.336 -6.755  1.000 24.979  0 47  ILE   AAA CB  1 ? 
ATOM   262  C  CG1 . ILE   A 1 35  ? -1.565  -20.551 -5.270  1.000 25.253  0 47  ILE   AAA CG1 1 ? 
ATOM   263  C  CG2 . ILE   A 1 35  ? -3.369  -20.341 -7.065  1.000 26.524  0 47  ILE   AAA CG2 1 ? 
ATOM   264  C  CD1 . ILE   A 1 35  ? -1.818  -19.315 -4.393  1.000 28.988  0 47  ILE   AAA CD1 1 ? 
ATOM   265  N  N   . ARG   A 1 36  ? 0.993   -22.141 -6.848  1.000 23.424  0 48  ARG   AAA N   1 ? 
ATOM   266  C  CA  . ARG   A 1 36  ? 2.448   -22.251 -6.853  1.000 24.153  0 48  ARG   AAA CA  1 ? 
ATOM   267  C  C   . ARG   A 1 36  ? 2.774   -23.740 -6.874  1.000 23.948  0 48  ARG   AAA C   1 ? 
ATOM   268  O  O   . ARG   A 1 36  ? 1.888   -24.516 -6.571  1.000 22.132  0 48  ARG   AAA O   1 ? 
ATOM   269  C  CB  . ARG   A 1 36  ? 3.106   -21.677 -5.594  1.000 25.235  0 48  ARG   AAA CB  1 ? 
ATOM   270  C  CG  . ARG   A 1 36  ? 2.960   -20.177 -5.374  1.000 28.230  0 48  ARG   AAA CG  1 ? 
ATOM   271  C  CD  . ARG   A 1 36  ? 3.811   -19.375 -6.337  1.000 32.825  0 48  ARG   AAA CD  1 ? 
ATOM   272  N  NE  . ARG   A 1 36  ? 3.682   -17.924 -6.206  1.000 35.212  0 48  ARG   AAA NE  1 ? 
ATOM   273  C  CZ  . ARG   A 1 36  ? 2.685   -17.184 -6.667  1.000 42.876  0 48  ARG   AAA CZ  1 ? 
ATOM   274  N  NH1 . ARG   A 1 36  ? 1.716   -17.724 -7.378  1.000 43.692  0 48  ARG   AAA NH1 1 ? 
ATOM   275  N  NH2 . ARG   A 1 36  ? 2.641   -15.889 -6.391  1.000 45.250  0 48  ARG   AAA NH2 1 ? 
ATOM   276  N  N   . ARG   A 1 37  ? 4.015   -24.156 -7.169  1.000 22.661  0 49  ARG   AAA N   1 ? 
ATOM   277  C  CA  . ARG   A 1 37  ? 4.208   -25.604 -7.261  1.000 22.595  0 49  ARG   AAA CA  1 ? 
ATOM   278  C  C   . ARG   A 1 37  ? 3.943   -26.301 -5.922  1.000 21.853  0 49  ARG   AAA C   1 ? 
ATOM   279  O  O   . ARG   A 1 37  ? 3.623   -27.509 -5.934  1.000 22.368  0 49  ARG   AAA O   1 ? 
ATOM   280  C  CB  . ARG   A 1 37  ? 5.577   -25.981 -7.812  1.000 21.400  0 49  ARG   AAA CB  1 ? 
ATOM   281  C  CG  . ARG   A 1 37  ? 5.756   -25.580 -9.271  1.000 21.968  0 49  ARG   AAA CG  1 ? 
ATOM   282  C  CD  . ARG   A 1 37  ? 7.141   -25.815 -9.845  1.000 22.558  0 49  ARG   AAA CD  1 ? 
ATOM   283  N  NE  . ARG   A 1 37  ? 7.558   -27.191 -9.793  1.000 22.724  0 49  ARG   AAA NE  1 ? 
ATOM   284  C  CZ  . ARG   A 1 37  ? 8.737   -27.630 -10.215 1.000 25.537  0 49  ARG   AAA CZ  1 ? 
ATOM   285  N  NH1 . ARG   A 1 37  ? 9.665   -26.783 -10.669 1.000 24.756  0 49  ARG   AAA NH1 1 ? 
ATOM   286  N  NH2 . ARG   A 1 37  ? 8.979   -28.921 -10.218 1.000 25.840  0 49  ARG   AAA NH2 1 ? 
ATOM   287  N  N   . ASN   A 1 38  ? 4.057   -25.570 -4.790  1.000 21.671  0 50  ASN   AAA N   1 ? 
ATOM   288  C  CA  . ASN   A 1 38  ? 3.752   -26.219 -3.505  1.000 20.947  0 50  ASN   AAA CA  1 ? 
ATOM   289  C  C   . ASN   A 1 38  ? 2.592   -25.557 -2.737  1.000 20.150  0 50  ASN   AAA C   1 ? 
ATOM   290  O  O   . ASN   A 1 38  ? 2.494   -25.702 -1.508  1.000 21.839  0 50  ASN   AAA O   1 ? 
ATOM   291  C  CB  . ASN   A 1 38  ? 4.963   -26.242 -2.583  1.000 22.966  0 50  ASN   AAA CB  1 ? 
ATOM   292  C  CG  . ASN   A 1 38  ? 5.549   -24.880 -2.331  1.000 24.342  0 50  ASN   AAA CG  1 ? 
ATOM   293  O  OD1 . ASN   A 1 38  ? 5.187   -23.877 -2.963  1.000 23.966  0 50  ASN   AAA OD1 1 ? 
ATOM   294  N  ND2 . ASN   A 1 38  ? 6.456   -24.842 -1.377  1.000 26.801  0 50  ASN   AAA ND2 1 ? 
ATOM   295  N  N   . PHE   A 1 39  ? 1.716   -24.852 -3.450  1.000 20.255  0 51  PHE   AAA N   1 ? 
ATOM   296  C  CA  . PHE   A 1 39  ? 0.534   -24.258 -2.819  1.000 20.521  0 51  PHE   AAA CA  1 ? 
ATOM   297  C  C   . PHE   A 1 39  ? -0.727  -24.431 -3.663  1.000 22.079  0 51  PHE   AAA C   1 ? 
ATOM   298  O  O   . PHE   A 1 39  ? -0.782  -24.080 -4.834  1.000 20.931  0 51  PHE   AAA O   1 ? 
ATOM   299  C  CB  . PHE   A 1 39  ? 0.695   -22.769 -2.490  1.000 20.697  0 51  PHE   AAA CB  1 ? 
ATOM   300  C  CG  . PHE   A 1 39  ? 1.434   -22.459 -1.210  1.000 22.821  0 51  PHE   AAA CG  1 ? 
ATOM   301  C  CD1 . PHE   A 1 39  ? 0.757   -22.373 0.000   1.000 25.653  0 51  PHE   AAA CD1 1 ? 
ATOM   302  C  CD2 . PHE   A 1 39  ? 2.801   -22.254 -1.218  1.000 25.253  0 51  PHE   AAA CD2 1 ? 
ATOM   303  C  CE1 . PHE   A 1 39  ? 1.445   -22.078 1.165   1.000 27.387  0 51  PHE   AAA CE1 1 ? 
ATOM   304  C  CE2 . PHE   A 1 39  ? 3.482   -21.966 -0.047  1.000 30.001  0 51  PHE   AAA CE2 1 ? 
ATOM   305  C  CZ  . PHE   A 1 39  ? 2.796   -21.920 1.139   1.000 28.688  0 51  PHE   AAA CZ  1 ? 
ATOM   306  N  N   . VAL   A 1 40  ? -1.800  -24.818 -2.956  1.000 18.894  0 52  VAL   AAA N   1 ? 
ATOM   307  C  CA  . VAL   A 1 40  ? -3.139  -24.974 -3.501  1.000 19.826  0 52  VAL   AAA CA  1 ? 
ATOM   308  C  C   . VAL   A 1 40  ? -4.081  -24.019 -2.785  1.000 19.547  0 52  VAL   AAA C   1 ? 
ATOM   309  O  O   . VAL   A 1 40  ? -4.012  -23.912 -1.564  1.000 21.076  0 52  VAL   AAA O   1 ? 
ATOM   310  C  CB  . VAL   A 1 40  ? -3.625  -26.422 -3.380  1.000 18.805  0 52  VAL   AAA CB  1 ? 
ATOM   311  C  CG1 . VAL   A 1 40  ? -5.131  -26.569 -3.578  1.000 20.384  0 52  VAL   AAA CG1 1 ? 
ATOM   312  C  CG2 . VAL   A 1 40  ? -2.839  -27.304 -4.353  1.000 20.310  0 52  VAL   AAA CG2 1 ? 
ATOM   313  N  N   . LEU   A 1 41  ? -4.881  -23.274 -3.563  1.000 18.326  0 53  LEU   AAA N   1 ? 
ATOM   314  C  CA  . LEU   A 1 41  ? -5.899  -22.385 -3.036  1.000 20.013  0 53  LEU   AAA CA  1 ? 
ATOM   315  C  C   . LEU   A 1 41  ? -7.243  -23.109 -3.103  1.000 20.416  0 53  LEU   AAA C   1 ? 
ATOM   316  O  O   . LEU   A 1 41  ? -7.562  -23.782 -4.103  1.000 21.216  0 53  LEU   AAA O   1 ? 
ATOM   317  C  CB  . LEU   A 1 41  ? -5.872  -21.096 -3.866  1.000 19.208  0 53  LEU   AAA CB  1 ? 
ATOM   318  C  CG  . LEU   A 1 41  ? -6.668  -19.904 -3.360  1.000 22.326  0 53  LEU   AAA CG  1 ? 
ATOM   319  C  CD1 . LEU   A 1 41  ? -6.282  -19.581 -1.929  1.000 24.316  0 53  LEU   AAA CD1 1 ? 
ATOM   320  C  CD2 . LEU   A 1 41  ? -6.423  -18.691 -4.275  1.000 23.219  0 53  LEU   AAA CD2 1 ? 
ATOM   321  N  N   . THR   A 1 42  ? -8.036  -22.947 -2.057  1.000 22.113  0 54  THR   AAA N   1 ? 
ATOM   322  C  CA  . THR   A 1 42  ? -9.331  -23.610 -1.924  1.000 20.524  0 54  THR   AAA CA  1 ? 
ATOM   323  C  C   . THR   A 1 42  ? -10.177 -22.810 -0.937  1.000 19.365  0 54  THR   AAA C   1 ? 
ATOM   324  O  O   . THR   A 1 42  ? -9.785  -21.693 -0.578  1.000 20.524  0 54  THR   AAA O   1 ? 
ATOM   325  C  CB  . THR   A 1 42  ? -9.139  -25.092 -1.548  1.000 19.731  0 54  THR   AAA CB  1 ? 
ATOM   326  O  OG1 . THR   A 1 42  ? -10.364 -25.793 -1.592  1.000 18.381  0 54  THR   AAA OG1 1 ? 
ATOM   327  C  CG2 . THR   A 1 42  ? -8.558  -25.262 -0.148  1.000 20.797  0 54  THR   AAA CG2 1 ? 
ATOM   328  N  N   . ALA   A 1 43  ? -11.303 -23.396 -0.526  1.000 22.324  0 55  ALA   AAA N   1 ? 
ATOM   329  C  CA  . ALA   A 1 43  ? -12.235 -22.804 0.441   1.000 21.924  0 55  ALA   AAA CA  1 ? 
ATOM   330  C  C   . ALA   A 1 43  ? -11.883 -23.239 1.858   1.000 21.403  0 55  ALA   AAA C   1 ? 
ATOM   331  O  O   . ALA   A 1 43  ? -11.483 -24.386 2.080   1.000 21.782  0 55  ALA   AAA O   1 ? 
ATOM   332  C  CB  . ALA   A 1 43  ? -13.651 -23.232 0.095   1.000 21.153  0 55  ALA   AAA CB  1 ? 
ATOM   333  N  N   . ALA   A 1 44  ? -12.002 -22.314 2.809   1.000 20.695  0 56  ALA   AAA N   1 ? 
ATOM   334  C  CA  . ALA   A 1 44  ? -11.778 -22.622 4.219   1.000 21.350  0 56  ALA   AAA CA  1 ? 
ATOM   335  C  C   . ALA   A 1 44  ? -12.729 -23.697 4.757   1.000 20.563  0 56  ALA   AAA C   1 ? 
ATOM   336  O  O   . ALA   A 1 44  ? -12.399 -24.448 5.686   1.000 22.537  0 56  ALA   AAA O   1 ? 
ATOM   337  C  CB  . ALA   A 1 44  ? -11.903 -21.364 5.052   1.000 22.742  0 56  ALA   AAA CB  1 ? 
ATOM   338  N  N   . HIS   A 1 45  ? -13.923 -23.809 4.178   1.000 21.513  0 57  HIS   AAA N   1 ? 
ATOM   339  C  CA  . HIS   A 1 45  ? -14.868 -24.817 4.641   1.000 23.627  0 57  HIS   AAA CA  1 ? 
ATOM   340  C  C   . HIS   A 1 45  ? -14.418 -26.217 4.270   1.000 21.813  0 57  HIS   AAA C   1 ? 
ATOM   341  O  O   . HIS   A 1 45  ? -14.964 -27.183 4.800   1.000 23.087  0 57  HIS   AAA O   1 ? 
ATOM   342  C  CB  . HIS   A 1 45  ? -16.305 -24.511 4.218   1.000 26.485  0 57  HIS   AAA CB  1 ? 
ATOM   343  C  CG  . HIS   A 1 45  ? -16.648 -24.781 2.812   1.000 29.138  0 57  HIS   AAA CG  1 ? 
ATOM   344  N  ND1 . HIS   A 1 45  ? -16.838 -23.709 1.941   1.000 29.451  0 57  HIS   AAA ND1 1 ? 
ATOM   345  C  CD2 . HIS   A 1 45  ? -16.994 -25.904 2.152   1.000 33.228  0 57  HIS   AAA CD2 1 ? 
ATOM   346  C  CE1 . HIS   A 1 45  ? -17.198 -24.160 0.761   1.000 27.159  0 57  HIS   AAA CE1 1 ? 
ATOM   347  N  NE2 . HIS   A 1 45  ? -17.303 -25.520 0.861   1.000 33.064  0 57  HIS   AAA NE2 1 ? 
ATOM   348  N  N   . CYS   A 1 46  ? -13.378 -26.317 3.440   1.000 20.776  0 58  CYS   AAA N   1 ? 
ATOM   349  C  CA  . CYS   A 1 46  ? -12.777 -27.595 3.075   1.000 22.171  0 58  CYS   AAA CA  1 ? 
ATOM   350  C  C   . CYS   A 1 46  ? -11.664 -28.012 4.051   1.000 21.803  0 58  CYS   AAA C   1 ? 
ATOM   351  O  O   . CYS   A 1 46  ? -11.034 -29.029 3.825   1.000 23.637  0 58  CYS   AAA O   1 ? 
ATOM   352  C  CB  . CYS   A 1 46  ? -12.234 -27.500 1.658   1.000 21.060  0 58  CYS   AAA CB  1 ? 
ATOM   353  S  SG  . CYS   A 1 46  ? -13.548 -27.221 0.431   1.000 23.158  0 58  CYS   AAA SG  1 ? 
ATOM   354  N  N   . ALA   A 1 47  ? -11.449 -27.276 5.148   1.000 22.111  0 59  ALA   AAA N   1 ? 
ATOM   355  C  CA  . ALA   A 1 47  ? -10.435 -27.668 6.118   1.000 22.484  0 59  ALA   AAA CA  1 ? 
ATOM   356  C  C   . ALA   A 1 47  ? -10.819 -28.987 6.783   1.000 21.647  0 59  ALA   AAA C   1 ? 
ATOM   357  O  O   . ALA   A 1 47  ? -12.023 -29.329 6.934   1.000 23.550  0 59  ALA   AAA O   1 ? 
ATOM   358  C  CB  . ALA   A 1 47  ? -10.237 -26.619 7.163   1.000 24.132  0 59  ALA   AAA CB  1 ? 
ATOM   359  N  N   . GLY   A 1 48  ? -9.795  -29.694 7.266   1.000 21.487  0 60  GLY   AAA N   1 ? 
ATOM   360  C  CA  . GLY   A 1 48  ? -10.030 -30.961 7.976   1.000 23.527  0 60  GLY   AAA CA  1 ? 
ATOM   361  C  C   . GLY   A 1 48  ? -8.839  -31.325 8.849   1.000 23.313  0 60  GLY   AAA C   1 ? 
ATOM   362  O  O   . GLY   A 1 48  ? -7.927  -30.496 8.987   1.000 22.582  0 60  GLY   AAA O   1 ? 
ATOM   363  N  N   . ARG   A 1 49  ? -8.857  -32.526 9.420   1.000 22.776  0 61  ARG   AAA N   1 ? 
ATOM   364  C  CA  . ARG   A 1 49  ? -7.708  -32.987 10.240  1.000 22.561  0 61  ARG   AAA CA  1 ? 
ATOM   365  C  C   . ARG   A 1 49  ? -6.506  -33.168 9.309   1.000 23.471  0 61  ARG   AAA C   1 ? 
ATOM   366  O  O   . ARG   A 1 49  ? -5.386  -32.842 9.723   1.000 23.582  0 61  ARG   AAA O   1 ? 
ATOM   367  C  CB  . ARG   A 1 49  ? -8.063  -34.288 10.967  1.000 24.750  0 61  ARG   AAA CB  1 ? 
ATOM   368  C  CG  . ARG   A 1 49  ? -6.952  -34.832 11.850  1.000 24.413  0 61  ARG   AAA CG  1 ? 
ATOM   369  C  CD  . ARG   A 1 49  ? -6.529  -33.822 12.896  1.000 27.951  0 61  ARG   AAA CD  1 ? 
ATOM   370  N  NE  . ARG   A 1 49  ? -5.425  -34.320 13.699  1.000 25.769  0 61  ARG   AAA NE  1 ? 
ATOM   371  C  CZ  . ARG   A 1 49  ? -4.196  -34.518 13.240  1.000 31.354  0 61  ARG   AAA CZ  1 ? 
ATOM   372  N  NH1 . ARG   A 1 49  ? -3.855  -34.064 12.047  1.000 28.817  0 61  ARG   AAA NH1 1 ? 
ATOM   373  N  NH2 . ARG   A 1 49  ? -3.312  -35.168 13.977  1.000 28.959  0 61  ARG   AAA NH2 1 ? 
ATOM   374  N  N   . SER   A 1 50  ? -6.759  -33.664 8.094   1.000 23.163  0 63  SER   AAA N   1 ? 
ATOM   375  C  CA  . SER   A 1 50  ? -5.674  -33.870 7.102   1.000 23.079  0 63  SER   AAA CA  1 ? 
ATOM   376  C  C   . SER   A 1 50  ? -6.271  -33.817 5.693   1.000 22.487  0 63  SER   AAA C   1 ? 
ATOM   377  O  O   . SER   A 1 50  ? -7.462  -34.124 5.546   1.000 22.590  0 63  SER   AAA O   1 ? 
ATOM   378  C  CB  . SER   A 1 50  ? -4.953  -35.172 7.345   1.000 25.608  0 63  SER   AAA CB  1 ? 
ATOM   379  O  OG  . SER   A 1 50  ? -5.831  -36.272 7.182   1.000 28.782  0 63  SER   AAA OG  1 ? 
ATOM   380  N  N   . ILE   A 1 51  ? -5.457  -33.443 4.705   1.000 22.292  0 64  ILE   AAA N   1 ? 
ATOM   381  C  CA  . ILE   A 1 51  ? -5.935  -33.358 3.327   1.000 21.045  0 64  ILE   AAA CA  1 ? 
ATOM   382  C  C   . ILE   A 1 51  ? -4.892  -33.969 2.389   1.000 20.705  0 64  ILE   AAA C   1 ? 
ATOM   383  O  O   . ILE   A 1 51  ? -3.710  -33.820 2.608   1.000 22.334  0 64  ILE   AAA O   1 ? 
ATOM   384  C  CB  . ILE   A 1 51  ? -6.207  -31.896 2.962   1.000 21.071  0 64  ILE   AAA CB  1 ? 
ATOM   385  C  CG1 . ILE   A 1 51  ? -7.259  -31.282 3.885   1.000 22.003  0 64  ILE   AAA CG1 1 ? 
ATOM   386  C  CG2 . ILE   A 1 51  ? -6.615  -31.809 1.500   1.000 21.768  0 64  ILE   AAA CG2 1 ? 
ATOM   387  C  CD1 . ILE   A 1 51  ? -7.557  -29.827 3.579   1.000 22.500  0 64  ILE   AAA CD1 1 ? 
ATOM   388  N  N   . THR   A 1 52  ? -5.342  -34.712 1.364   1.000 19.566  0 65  THR   AAA N   1 ? 
ATOM   389  C  CA  . THR   A 1 52  ? -4.499  -35.134 0.274   1.000 22.129  0 65  THR   AAA CA  1 ? 
ATOM   390  C  C   . THR   A 1 52  ? -4.981  -34.442 -0.989  1.000 19.742  0 65  THR   AAA C   1 ? 
ATOM   391  O  O   . THR   A 1 52  ? -6.203  -34.337 -1.222  1.000 21.984  0 65  THR   AAA O   1 ? 
ATOM   392  C  CB  . THR   A 1 52  ? -4.564  -36.656 0.089   1.000 24.958  0 65  THR   AAA CB  1 ? 
ATOM   393  O  OG1 . THR   A 1 52  ? -4.280  -37.242 1.363   1.000 26.990  0 65  THR   AAA OG1 1 ? 
ATOM   394  C  CG2 . THR   A 1 52  ? -3.555  -37.152 -0.944  1.000 28.685  0 65  THR   AAA CG2 1 ? 
ATOM   395  N  N   . VAL   A 1 53  ? -4.030  -33.976 -1.791  1.000 20.897  0 66  VAL   AAA N   1 ? 
ATOM   396  C  CA  . VAL   A 1 53  ? -4.348  -33.346 -3.060  1.000 20.945  0 66  VAL   AAA CA  1 ? 
ATOM   397  C  C   . VAL   A 1 53  ? -3.961  -34.274 -4.198  1.000 21.297  0 66  VAL   AAA C   1 ? 
ATOM   398  O  O   . VAL   A 1 53  ? -2.882  -34.842 -4.145  1.000 21.066  0 66  VAL   AAA O   1 ? 
ATOM   399  C  CB  . VAL   A 1 53  ? -3.559  -32.032 -3.128  1.000 23.390  0 66  VAL   AAA CB  1 ? 
ATOM   400  C  CG1 . VAL   A 1 53  ? -3.460  -31.469 -4.515  1.000 25.282  0 66  VAL   AAA CG1 1 ? 
ATOM   401  C  CG2 . VAL   A 1 53  ? -4.157  -31.040 -2.162  1.000 25.071  0 66  VAL   AAA CG2 1 ? 
ATOM   402  N  N   . THR   A 1 54  ? -4.846  -34.435 -5.193  1.000 20.389  0 67  THR   AAA N   1 ? 
ATOM   403  C  CA  . THR   A 1 54  ? -4.503  -35.167 -6.402  1.000 21.368  0 67  THR   AAA CA  1 ? 
ATOM   404  C  C   . THR   A 1 54  ? -4.504  -34.166 -7.562  1.000 19.529  0 67  THR   AAA C   1 ? 
ATOM   405  O  O   . THR   A 1 54  ? -5.508  -33.543 -7.802  1.000 19.008  0 67  THR   AAA O   1 ? 
ATOM   406  C  CB  . THR   A 1 54  ? -5.473  -36.326 -6.681  1.000 21.300  0 67  THR   AAA CB  1 ? 
ATOM   407  O  OG1 . THR   A 1 54  ? -5.456  -37.218 -5.556  1.000 21.024  0 67  THR   AAA OG1 1 ? 
ATOM   408  C  CG2 . THR   A 1 54  ? -5.068  -37.088 -7.917  1.000 23.861  0 67  THR   AAA CG2 1 ? 
ATOM   409  N  N   . LEU   A 1 55  ? -3.322  -33.926 -8.121  1.000 19.237  0 68  LEU   AAA N   1 ? 
ATOM   410  C  CA  . LEU   A 1 55  ? -3.161  -33.152 -9.349  1.000 20.060  0 68  LEU   AAA CA  1 ? 
ATOM   411  C  C   . LEU   A 1 55  ? -3.147  -34.120 -10.522 1.000 19.089  0 68  LEU   AAA C   1 ? 
ATOM   412  O  O   . LEU   A 1 55  ? -2.808  -35.292 -10.359 1.000 19.868  0 68  LEU   AAA O   1 ? 
ATOM   413  C  CB  . LEU   A 1 55  ? -1.851  -32.367 -9.262  1.000 21.079  0 68  LEU   AAA CB  1 ? 
ATOM   414  C  CG  . LEU   A 1 55  ? -1.731  -31.473 -8.023  1.000 21.482  0 68  LEU   AAA CG  1 ? 
ATOM   415  C  CD1 . LEU   A 1 55  ? -0.360  -30.790 -7.950  1.000 23.119  0 68  LEU   AAA CD1 1 ? 
ATOM   416  C  CD2 . LEU   A 1 55  ? -2.835  -30.441 -8.039  1.000 23.934  0 68  LEU   AAA CD2 1 ? 
ATOM   417  N  N   . GLY   A 1 56  ? -3.429  -33.575 -11.713 1.000 19.671  0 69  GLY   AAA N   1 ? 
ATOM   418  C  CA  . GLY   A 1 56  ? -3.356  -34.306 -12.978 1.000 20.845  0 69  GLY   AAA CA  1 ? 
ATOM   419  C  C   . GLY   A 1 56  ? -4.534  -35.261 -13.229 1.000 20.205  0 69  GLY   AAA C   1 ? 
ATOM   420  O  O   . GLY   A 1 56  ? -4.492  -36.115 -14.099 1.000 22.571  0 69  GLY   AAA O   1 ? 
ATOM   421  N  N   . ALA   A 1 57  ? -5.638  -35.106 -12.480 1.000 21.013  0 70  ALA   AAA N   1 ? 
ATOM   422  C  CA  . ALA   A 1 57  ? -6.742  -36.021 -12.629 1.000 20.639  0 70  ALA   AAA CA  1 ? 
ATOM   423  C  C   . ALA   A 1 57  ? -7.742  -35.530 -13.660 1.000 22.018  0 70  ALA   AAA C   1 ? 
ATOM   424  O  O   . ALA   A 1 57  ? -7.895  -34.340 -13.926 1.000 21.332  0 70  ALA   AAA O   1 ? 
ATOM   425  C  CB  . ALA   A 1 57  ? -7.420  -36.250 -11.300 1.000 23.390  0 70  ALA   AAA CB  1 ? 
ATOM   426  N  N   . HIS   A 1 58  ? -8.402  -36.509 -14.265 1.000 22.129  0 71  HIS   AAA N   1 ? 
ATOM   427  C  CA  . HIS   A 1 58  ? -9.620  -36.285 -15.035 1.000 23.074  0 71  HIS   AAA CA  1 ? 
ATOM   428  C  C   . HIS   A 1 58  ? -10.689 -37.214 -14.461 1.000 23.766  0 71  HIS   AAA C   1 ? 
ATOM   429  O  O   . HIS   A 1 58  ? -11.574 -36.764 -13.774 1.000 23.616  0 71  HIS   AAA O   1 ? 
ATOM   430  C  CB  . HIS   A 1 58  ? -9.433  -36.569 -16.526 1.000 26.032  0 71  HIS   AAA CB  1 ? 
ATOM   431  C  CG  . HIS   A 1 58  ? -10.713 -36.290 -17.228 1.000 25.129  0 71  HIS   AAA CG  1 ? 
ATOM   432  N  ND1 . HIS   A 1 58  ? -11.246 -35.008 -17.221 1.000 24.811  0 71  HIS   AAA ND1 1 ? 
ATOM   433  C  CD2 . HIS   A 1 58  ? -11.593 -37.079 -17.908 1.000 27.809  0 71  HIS   AAA CD2 1 ? 
ATOM   434  C  CE1 . HIS   A 1 58  ? -12.394 -35.024 -17.906 1.000 25.321  0 71  HIS   AAA CE1 1 ? 
ATOM   435  N  NE2 . HIS   A 1 58  ? -12.630 -36.262 -18.338 1.000 26.174  0 71  HIS   AAA NE2 1 ? 
ATOM   436  N  N   . ASN   A 1 59  ? -10.594 -38.515 -14.756 1.000 22.650  0 72  ASN   AAA N   1 ? 
ATOM   437  C  CA  . ASN   A 1 59  ? -11.440 -39.518 -14.124 1.000 23.900  0 72  ASN   AAA CA  1 ? 
ATOM   438  C  C   . ASN   A 1 59  ? -10.807 -39.935 -12.804 1.000 23.890  0 72  ASN   AAA C   1 ? 
ATOM   439  O  O   . ASN   A 1 59  ? -9.774  -40.627 -12.758 1.000 23.729  0 72  ASN   AAA O   1 ? 
ATOM   440  C  CB  . ASN   A 1 59  ? -11.646 -40.720 -15.033 1.000 25.566  0 72  ASN   AAA CB  1 ? 
ATOM   441  C  CG  . ASN   A 1 59  ? -12.651 -41.715 -14.463 1.000 28.875  0 72  ASN   AAA CG  1 ? 
ATOM   442  O  OD1 . ASN   A 1 59  ? -12.878 -41.781 -13.248 1.000 25.666  0 72  ASN   AAA OD1 1 ? 
ATOM   443  N  ND2 . ASN   A 1 59  ? -13.244 -42.485 -15.359 1.000 31.022  0 72  ASN   AAA ND2 1 ? 
ATOM   444  N  N   . ILE   A 1 60  ? -11.390 -39.447 -11.713 1.000 25.924  0 73  ILE   AAA N   1 ? 
ATOM   445  C  CA  . ILE   A 1 60  ? -10.771 -39.577 -10.407 1.000 27.385  0 73  ILE   AAA CA  1 ? 
ATOM   446  C  C   . ILE   A 1 60  ? -10.856 -41.019 -9.868  1.000 28.338  0 73  ILE   AAA C   1 ? 
ATOM   447  O  O   . ILE   A 1 60  ? -10.263 -41.313 -8.811  1.000 29.180  0 73  ILE   AAA O   1 ? 
ATOM   448  C  CB  . ILE   A 1 60  ? -11.389 -38.482 -9.511  1.000 31.196  0 73  ILE   AAA CB  1 ? 
ATOM   449  C  CG1 . ILE   A 1 60  ? -10.575 -38.187 -8.258  1.000 37.362  0 73  ILE   AAA CG1 1 ? 
ATOM   450  C  CG2 . ILE   A 1 60  ? -12.840 -38.806 -9.160  1.000 29.019  0 73  ILE   AAA CG2 1 ? 
ATOM   451  C  CD1 . ILE   A 1 60  ? -9.117  -37.863 -8.488  1.000 39.810  0 73  ILE   AAA CD1 1 ? 
ATOM   452  N  N   . THR   A 1 61  ? -11.506 -41.931 -10.622 1.000 28.546  0 74  THR   AAA N   1 ? 
ATOM   453  C  CA  . THR   A 1 61  ? -11.656 -43.317 -10.219 1.000 30.159  0 74  THR   AAA CA  1 ? 
ATOM   454  C  C   . THR   A 1 61  ? -10.539 -44.181 -10.808 1.000 33.851  0 74  THR   AAA C   1 ? 
ATOM   455  O  O   . THR   A 1 61  ? -10.329 -45.275 -10.291 1.000 34.270  0 74  THR   AAA O   1 ? 
ATOM   456  C  CB  . THR   A 1 61  ? -13.075 -43.846 -10.511 1.000 31.343  0 74  THR   AAA CB  1 ? 
ATOM   457  O  OG1 . THR   A 1 61  ? -13.301 -44.080 -11.903 1.000 36.612  0 74  THR   AAA OG1 1 ? 
ATOM   458  C  CG2 . THR   A 1 61  ? -14.134 -42.915 -9.965  1.000 35.933  0 74  THR   AAA CG2 1 ? 
ATOM   459  N  N   . GLU   A 1 62  ? -9.782  -43.666 -11.799 1.000 31.988  0 75  GLU   AAA N   1 ? 
ATOM   460  C  CA  . GLU   A 1 62  ? -8.901  -44.459 -12.675 1.000 34.846  0 75  GLU   AAA CA  1 ? 
ATOM   461  C  C   . GLU   A 1 62  ? -7.491  -43.836 -12.576 1.000 30.180  0 75  GLU   AAA C   1 ? 
ATOM   462  O  O   . GLU   A 1 62  ? -7.289  -42.818 -13.210 1.000 28.777  0 75  GLU   AAA O   1 ? 
ATOM   463  C  CB  . GLU   A 1 62  ? -9.499  -44.473 -14.107 1.000 40.560  0 75  GLU   AAA CB  1 ? 
ATOM   464  C  CG  . GLU   A 1 62  ? -8.913  -45.489 -15.136 1.000 47.224  0 75  GLU   AAA CG  1 ? 
ATOM   465  C  CD  . GLU   A 1 62  ? -9.289  -45.463 -16.644 1.000 60.386  0 75  GLU   AAA CD  1 ? 
ATOM   466  O  OE1 . GLU   A 1 62  ? -8.984  -46.474 -17.405 1.000 56.457  0 75  GLU   AAA OE1 1 ? 
ATOM   467  O  OE2 . GLU   A 1 62  ? -9.847  -44.463 -17.121 1.000 62.539  0 75  GLU   AAA OE2 1 ? 
ATOM   468  N  N   . GLU   A 1 63  ? -6.614  -44.381 -11.702 1.000 30.098  0 77  GLU   AAA N   1 ? 
ATOM   469  C  CA  . GLU   A 1 63  ? -5.241  -43.899 -11.504 1.000 32.930  0 77  GLU   AAA CA  1 ? 
ATOM   470  C  C   . GLU   A 1 63  ? -4.498  -43.953 -12.841 1.000 31.270  0 77  GLU   AAA C   1 ? 
ATOM   471  O  O   . GLU   A 1 63  ? -4.694  -44.875 -13.628 1.000 30.009  0 77  GLU   AAA O   1 ? 
ATOM   472  C  CB  . GLU   A 1 63  ? -4.445  -44.717 -10.482 1.000 39.249  0 77  GLU   AAA CB  1 ? 
ATOM   473  C  CG  . GLU   A 1 63  ? -2.992  -44.265 -10.308 1.000 40.284  0 77  GLU   AAA CG  1 ? 
ATOM   474  C  CD  . GLU   A 1 63  ? -2.277  -44.852 -9.098  1.000 53.085  0 77  GLU   AAA CD  1 ? 
ATOM   475  O  OE1 . GLU   A 1 63  ? -2.472  -46.044 -8.843  1.000 57.915  0 77  GLU   AAA OE1 1 ? 
ATOM   476  O  OE2 . GLU   A 1 63  ? -1.501  -44.126 -8.437  1.000 52.175  0 77  GLU   AAA OE2 1 ? 
ATOM   477  N  N   . GLU   A 1 64  ? -3.717  -42.916 -13.118 1.000 25.382  0 78  GLU   AAA N   1 ? 
ATOM   478  C  CA  . GLU   A 1 64  ? -2.967  -42.854 -14.377 1.000 24.627  0 78  GLU   AAA CA  1 ? 
ATOM   479  C  C   . GLU   A 1 64  ? -1.678  -42.100 -14.143 1.000 23.100  0 78  GLU   AAA C   1 ? 
ATOM   480  O  O   . GLU   A 1 64  ? -1.511  -41.481 -13.102 1.000 22.053  0 78  GLU   AAA O   1 ? 
ATOM   481  C  CB  . GLU   A 1 64  ? -3.786  -42.192 -15.483 1.000 24.624  0 78  GLU   AAA CB  1 ? 
ATOM   482  C  CG  . GLU   A 1 64  ? -4.349  -40.843 -15.109 1.000 23.748  0 78  GLU   AAA CG  1 ? 
ATOM   483  C  CD  . GLU   A 1 64  ? -4.976  -40.066 -16.260 1.000 27.143  0 78  GLU   AAA CD  1 ? 
ATOM   484  O  OE1 . GLU   A 1 64  ? -6.022  -39.416 -16.049 1.000 24.340  0 78  GLU   AAA OE1 1 ? 
ATOM   485  O  OE2 . GLU   A 1 64  ? -4.425  -40.102 -17.364 1.000 26.114  0 78  GLU   AAA OE2 1 ? 
ATOM   486  N  N   . ASP   A 1 65  ? -0.768  -42.154 -15.131 1.000 22.584  0 79  ASP   AAA N   1 ? 
ATOM   487  C  CA  . ASP   A 1 65  ? 0.554   -41.576 -14.965 1.000 21.795  0 79  ASP   AAA CA  1 ? 
ATOM   488  C  C   . ASP   A 1 65  ? 0.530   -40.068 -14.728 1.000 21.424  0 79  ASP   AAA C   1 ? 
ATOM   489  O  O   . ASP   A 1 65  ? 1.480   -39.532 -14.124 1.000 21.782  0 79  ASP   AAA O   1 ? 
ATOM   490  C  CB  . ASP   A 1 65  ? 1.459   -41.926 -16.142 1.000 20.460  0 79  ASP   AAA CB  1 ? 
ATOM   491  C  CG  . ASP   A 1 65  ? 2.038   -43.318 -16.110 1.000 22.995  0 79  ASP   AAA CG  1 ? 
ATOM   492  O  OD1 . ASP   A 1 65  ? 1.755   -44.038 -15.127 1.000 23.634  0 79  ASP   AAA OD1 1 ? 
ATOM   493  O  OD2 . ASP   A 1 65  ? 2.715   -43.675 -17.077 1.000 22.403  0 79  ASP   AAA OD2 1 ? 
ATOM   494  N  N   . THR   A 1 66  A -0.506  -39.360 -15.194 1.000 21.205  0 79  THR   AAA N   1 ? 
ATOM   495  C  CA  . THR   A 1 66  A -0.602  -37.911 -14.932 1.000 21.518  0 79  THR   AAA CA  1 ? 
ATOM   496  C  C   . THR   A 1 66  A -0.820  -37.586 -13.452 1.000 22.592  0 79  THR   AAA C   1 ? 
ATOM   497  O  O   . THR   A 1 66  A -0.601  -36.441 -13.020 1.000 22.021  0 79  THR   AAA O   1 ? 
ATOM   498  C  CB  . THR   A 1 66  A -1.744  -37.271 -15.737 1.000 22.345  0 79  THR   AAA CB  1 ? 
ATOM   499  O  OG1 . THR   A 1 66  A -2.976  -37.919 -15.430 1.000 22.071  0 79  THR   AAA OG1 1 ? 
ATOM   500  C  CG2 . THR   A 1 66  A -1.528  -37.370 -17.225 1.000 21.742  0 79  THR   AAA CG2 1 ? 
ATOM   501  N  N   . TRP   A 1 67  ? -1.352  -38.541 -12.678 1.000 23.445  0 80  TRP   AAA N   1 ? 
ATOM   502  C  CA  . TRP   A 1 67  ? -1.647  -38.281 -11.275 1.000 22.021  0 80  TRP   AAA CA  1 ? 
ATOM   503  C  C   . TRP   A 1 67  ? -0.386  -37.941 -10.514 1.000 21.803  0 80  TRP   AAA C   1 ? 
ATOM   504  O  O   . TRP   A 1 67  ? 0.660   -38.571 -10.686 1.000 20.410  0 80  TRP   AAA O   1 ? 
ATOM   505  C  CB  . TRP   A 1 67  ? -2.327  -39.468 -10.590 1.000 23.037  0 80  TRP   AAA CB  1 ? 
ATOM   506  C  CG  . TRP   A 1 67  ? -3.768  -39.634 -10.889 1.000 22.005  0 80  TRP   AAA CG  1 ? 
ATOM   507  C  CD1 . TRP   A 1 67  ? -4.478  -39.181 -11.961 1.000 21.274  0 80  TRP   AAA CD1 1 ? 
ATOM   508  C  CD2 . TRP   A 1 67  ? -4.669  -40.436 -10.120 1.000 24.045  0 80  TRP   AAA CD2 1 ? 
ATOM   509  N  NE1 . TRP   A 1 67  ? -5.787  -39.591 -11.871 1.000 22.411  0 80  TRP   AAA NE1 1 ? 
ATOM   510  C  CE2 . TRP   A 1 67  ? -5.929  -40.351 -10.748 1.000 24.142  0 80  TRP   AAA CE2 1 ? 
ATOM   511  C  CE3 . TRP   A 1 67  ? -4.535  -41.162 -8.937  1.000 29.261  0 80  TRP   AAA CE3 1 ? 
ATOM   512  C  CZ2 . TRP   A 1 67  ? -7.047  -41.031 -10.266 1.000 27.764  0 80  TRP   AAA CZ2 1 ? 
ATOM   513  C  CZ3 . TRP   A 1 67  ? -5.632  -41.866 -8.478  1.000 30.075  0 80  TRP   AAA CZ3 1 ? 
ATOM   514  C  CH2 . TRP   A 1 67  ? -6.869  -41.762 -9.121  1.000 29.493  0 80  TRP   AAA CH2 1 ? 
ATOM   515  N  N   . GLN   A 1 68  ? -0.538  -36.938 -9.651  1.000 22.237  0 81  GLN   AAA N   1 ? 
ATOM   516  C  CA  . GLN   A 1 68  ? 0.401   -36.656 -8.600  1.000 19.868  0 81  GLN   AAA CA  1 ? 
ATOM   517  C  C   . GLN   A 1 68  ? -0.399  -36.491 -7.316  1.000 22.429  0 81  GLN   AAA C   1 ? 
ATOM   518  O  O   . GLN   A 1 68  ? -1.131  -35.524 -7.173  1.000 21.108  0 81  GLN   AAA O   1 ? 
ATOM   519  C  CB  . GLN   A 1 68  ? 1.193   -35.376 -8.845  1.000 21.634  0 81  GLN   AAA CB  1 ? 
ATOM   520  C  CG  . GLN   A 1 68  ? 2.087   -35.434 -10.075 1.000 20.884  0 81  GLN   AAA CG  1 ? 
ATOM   521  C  CD  . GLN   A 1 68  ? 2.797   -34.114 -10.282 1.000 23.129  0 81  GLN   AAA CD  1 ? 
ATOM   522  O  OE1 . GLN   A 1 68  ? 3.466   -33.629 -9.374  1.000 23.048  0 81  GLN   AAA OE1 1 ? 
ATOM   523  N  NE2 . GLN   A 1 68  ? 2.668   -33.549 -11.476 1.000 22.471  0 81  GLN   AAA NE2 1 ? 
ATOM   524  N  N   . LYS   A 1 69  ? -0.293  -37.492 -6.438  1.000 20.560  0 82  LYS   AAA N   1 ? 
ATOM   525  C  CA  . LYS   A 1 69  ? -0.956  -37.445 -5.148  1.000 22.379  0 82  LYS   AAA CA  1 ? 
ATOM   526  C  C   . LYS   A 1 69  ? 0.041   -36.872 -4.169  1.000 24.677  0 82  LYS   AAA C   1 ? 
ATOM   527  O  O   . LYS   A 1 69  ? 1.140   -37.393 -4.045  1.000 27.888  0 82  LYS   AAA O   1 ? 
ATOM   528  C  CB  . LYS   A 1 69  ? -1.354  -38.837 -4.669  1.000 27.664  0 82  LYS   AAA CB  1 ? 
ATOM   529  C  CG  . LYS   A 1 69  ? -2.434  -39.486 -5.509  1.000 33.078  0 82  LYS   AAA CG  1 ? 
ATOM   530  C  CD  . LYS   A 1 69  ? -2.849  -40.860 -5.013  1.000 45.100  0 82  LYS   AAA CD  1 ? 
ATOM   531  C  CE  . LYS   A 1 69  ? -3.916  -40.780 -3.939  1.000 58.728  0 82  LYS   AAA CE  1 ? 
ATOM   532  N  NZ  . LYS   A 1 69  ? -4.659  -42.059 -3.798  1.000 69.708  0 82  LYS   AAA NZ  1 ? 
ATOM   533  N  N   . LEU   A 1 70  ? -0.307  -35.766 -3.553  1.000 21.308  0 83  LEU   AAA N   1 ? 
ATOM   534  C  CA  . LEU   A 1 70  ? 0.637   -35.040 -2.742  1.000 22.142  0 83  LEU   AAA CA  1 ? 
ATOM   535  C  C   . LEU   A 1 70  ? 0.061   -34.774 -1.357  1.000 21.710  0 83  LEU   AAA C   1 ? 
ATOM   536  O  O   . LEU   A 1 70  ? -1.091  -34.374 -1.204  1.000 21.839  0 83  LEU   AAA O   1 ? 
ATOM   537  C  CB  . LEU   A 1 70  ? 0.960   -33.724 -3.435  1.000 24.171  0 83  LEU   AAA CB  1 ? 
ATOM   538  C  CG  . LEU   A 1 70  ? 1.845   -33.899 -4.673  1.000 28.451  0 83  LEU   AAA CG  1 ? 
ATOM   539  C  CD1 . LEU   A 1 70  ? 2.044   -32.557 -5.337  1.000 31.670  0 83  LEU   AAA CD1 1 ? 
ATOM   540  C  CD2 . LEU   A 1 70  ? 3.180   -34.500 -4.302  1.000 36.489  0 83  LEU   AAA CD2 1 ? 
ATOM   541  N  N   . GLU   A 1 71  ? 0.927   -35.005 -0.364  1.000 21.492  0 84  GLU   AAA N   1 ? 
ATOM   542  C  CA  . GLU   A 1 71  ? 0.636   -34.697 1.022   1.000 22.821  0 84  GLU   AAA CA  1 ? 
ATOM   543  C  C   . GLU   A 1 71  ? 0.560   -33.194 1.216   1.000 21.097  0 84  GLU   AAA C   1 ? 
ATOM   544  O  O   . GLU   A 1 71  ? 1.359   -32.455 0.640   1.000 23.345  0 84  GLU   AAA O   1 ? 
ATOM   545  C  CB  . GLU   A 1 71  ? 1.767   -35.307 1.858   1.000 23.911  0 84  GLU   AAA CB  1 ? 
ATOM   546  C  CG  . GLU   A 1 71  ? 1.761   -34.921 3.303   1.000 25.185  0 84  GLU   AAA CG  1 ? 
ATOM   547  C  CD  . GLU   A 1 71  ? 3.010   -35.386 4.031   1.000 27.009  0 84  GLU   AAA CD  1 ? 
ATOM   548  O  OE1 . GLU   A 1 71  ? 3.761   -36.202 3.490   1.000 30.691  0 84  GLU   AAA OE1 1 ? 
ATOM   549  O  OE2 . GLU   A 1 71  ? 3.293   -34.802 5.070   1.000 25.145  0 84  GLU   AAA OE2 1 ? 
ATOM   550  N  N   . VAL   A 1 72  ? -0.397  -32.758 2.038   1.000 22.266  0 85  VAL   AAA N   1 ? 
ATOM   551  C  CA  . VAL   A 1 72  ? -0.464  -31.398 2.530   1.000 21.595  0 85  VAL   AAA CA  1 ? 
ATOM   552  C  C   . VAL   A 1 72  ? 0.200   -31.368 3.920   1.000 21.729  0 85  VAL   AAA C   1 ? 
ATOM   553  O  O   . VAL   A 1 72  ? -0.194  -32.102 4.812   1.000 21.624  0 85  VAL   AAA O   1 ? 
ATOM   554  C  CB  . VAL   A 1 72  ? -1.931  -30.910 2.622   1.000 22.634  0 85  VAL   AAA CB  1 ? 
ATOM   555  C  CG1 . VAL   A 1 72  ? -2.021  -29.597 3.417   1.000 21.200  0 85  VAL   AAA CG1 1 ? 
ATOM   556  C  CG2 . VAL   A 1 72  ? -2.623  -30.828 1.265   1.000 21.163  0 85  VAL   AAA CG2 1 ? 
ATOM   557  N  N   . ILE   A 1 73  ? 1.238   -30.539 4.105   1.000 21.795  0 86  ILE   AAA N   1 ? 
ATOM   558  C  CA  . ILE   A 1 73  ? 1.886   -30.450 5.414   1.000 22.842  0 86  ILE   AAA CA  1 ? 
ATOM   559  C  C   . ILE   A 1 73  ? 1.153   -29.533 6.365   1.000 20.971  0 86  ILE   AAA C   1 ? 
ATOM   560  O  O   . ILE   A 1 73  ? 1.183   -29.820 7.561   1.000 24.511  0 86  ILE   AAA O   1 ? 
ATOM   561  C  CB  . ILE   A 1 73  ? 3.361   -30.077 5.333   1.000 26.624  0 86  ILE   AAA CB  1 ? 
ATOM   562  C  CG1 . ILE   A 1 73  ? 3.628   -28.794 4.569   1.000 26.835  0 86  ILE   AAA CG1 1 ? 
ATOM   563  C  CG2 . ILE   A 1 73  ? 4.091   -31.261 4.723   1.000 34.509  0 86  ILE   AAA CG2 1 ? 
ATOM   564  C  CD1 . ILE   A 1 73  ? 5.070   -28.364 4.716   1.000 35.304  0 86  ILE   AAA CD1 1 ? 
ATOM   565  N  N   . LYS   A 1 74  ? 0.532   -28.457 5.845   1.000 23.821  0 87  LYS   AAA N   1 ? 
ATOM   566  C  CA  . LYS   A 1 74  ? -0.071  -27.427 6.679   1.000 24.574  0 87  LYS   AAA CA  1 ? 
ATOM   567  C  C   . LYS   A 1 74  ? -1.234  -26.775 5.932   1.000 23.616  0 87  LYS   AAA C   1 ? 
ATOM   568  O  O   . LYS   A 1 74  ? -1.166  -26.491 4.728   1.000 21.874  0 87  LYS   AAA O   1 ? 
ATOM   569  C  CB  . LYS   A 1 74  ? 0.994   -26.383 7.075   1.000 29.851  0 87  LYS   AAA CB  1 ? 
ATOM   570  C  CG  . LYS   A 1 74  ? 0.578   -25.396 8.159   1.000 42.237  0 87  LYS   AAA CG  1 ? 
ATOM   571  C  CD  . LYS   A 1 74  ? 1.723   -24.769 8.947   1.000 45.811  0 87  LYS   AAA CD  1 ? 
ATOM   572  C  CE  . LYS   A 1 74  ? 1.236   -23.667 9.873   1.000 53.372  0 87  LYS   AAA CE  1 ? 
ATOM   573  N  NZ  . LYS   A 1 74  ? 2.349   -22.906 10.497  1.000 60.913  0 87  LYS   AAA NZ  1 ? 
ATOM   574  N  N   . GLN   A 1 75  ? -2.288  -26.479 6.693   1.000 22.555  0 88  GLN   AAA N   1 ? 
ATOM   575  C  CA  . GLN   A 1 75  ? -3.479  -25.799 6.202   1.000 22.568  0 88  GLN   AAA CA  1 ? 
ATOM   576  C  C   . GLN   A 1 75  ? -3.454  -24.377 6.760   1.000 23.590  0 88  GLN   AAA C   1 ? 
ATOM   577  O  O   . GLN   A 1 75  ? -3.299  -24.214 7.971   1.000 23.913  0 88  GLN   AAA O   1 ? 
ATOM   578  C  CB  . GLN   A 1 75  ? -4.728  -26.522 6.691   1.000 23.332  0 88  GLN   AAA CB  1 ? 
ATOM   579  C  CG  . GLN   A 1 75  ? -4.882  -27.927 6.143   1.000 24.040  0 88  GLN   AAA CG  1 ? 
ATOM   580  C  CD  . GLN   A 1 75  ? -5.971  -28.645 6.886   1.000 24.132  0 88  GLN   AAA CD  1 ? 
ATOM   581  O  OE1 . GLN   A 1 75  ? -7.134  -28.233 6.863   1.000 25.177  0 88  GLN   AAA OE1 1 ? 
ATOM   582  N  NE2 . GLN   A 1 75  ? -5.580  -29.699 7.596   1.000 22.819  0 88  GLN   AAA NE2 1 ? 
ATOM   583  N  N   . PHE   A 1 76  ? -3.600  -23.360 5.890   1.000 21.605  0 89  PHE   AAA N   1 ? 
ATOM   584  C  CA  . PHE   A 1 76  ? -3.690  -21.963 6.294   1.000 23.148  0 89  PHE   AAA CA  1 ? 
ATOM   585  C  C   . PHE   A 1 76  ? -5.097  -21.440 6.005   1.000 24.524  0 89  PHE   AAA C   1 ? 
ATOM   586  O  O   . PHE   A 1 76  ? -5.336  -20.900 4.926   1.000 22.382  0 89  PHE   AAA O   1 ? 
ATOM   587  C  CB  . PHE   A 1 76  ? -2.654  -21.119 5.538   1.000 22.719  0 89  PHE   AAA CB  1 ? 
ATOM   588  C  CG  . PHE   A 1 76  ? -1.226  -21.507 5.813   1.000 25.908  0 89  PHE   AAA CG  1 ? 
ATOM   589  C  CD1 . PHE   A 1 76  ? -0.531  -20.978 6.906   1.000 30.498  0 89  PHE   AAA CD1 1 ? 
ATOM   590  C  CD2 . PHE   A 1 76  ? -0.591  -22.444 5.020   1.000 26.140  0 89  PHE   AAA CD2 1 ? 
ATOM   591  C  CE1 . PHE   A 1 76  ? 0.785   -21.347 7.142   1.000 33.620  0 89  PHE   AAA CE1 1 ? 
ATOM   592  C  CE2 . PHE   A 1 76  ? 0.724   -22.806 5.255   1.000 28.809  0 89  PHE   AAA CE2 1 ? 
ATOM   593  C  CZ  . PHE   A 1 76  ? 1.405   -22.282 6.326   1.000 32.114  0 89  PHE   AAA CZ  1 ? 
ATOM   594  N  N   . ARG   A 1 77  ? -5.997  -21.624 6.973   1.000 23.137  0 90  ARG   AAA N   1 ? 
ATOM   595  C  CA  . ARG   A 1 77  ? -7.365  -21.169 6.872   1.000 28.474  0 90  ARG   AAA CA  1 ? 
ATOM   596  C  C   . ARG   A 1 77  ? -7.350  -19.680 7.178   1.000 27.122  0 90  ARG   AAA C   1 ? 
ATOM   597  O  O   . ARG   A 1 77  ? -6.610  -19.220 8.040   1.000 28.472  0 90  ARG   AAA O   1 ? 
ATOM   598  C  CB  . ARG   A 1 77  ? -8.191  -22.058 7.820   1.000 33.880  0 90  ARG   AAA CB  1 ? 
ATOM   599  C  CG  . ARG   A 1 77  ? -9.674  -22.095 7.512   1.000 39.684  0 90  ARG   AAA CG  1 ? 
ATOM   600  C  CD  . ARG   A 1 77  ? -10.419 -23.038 8.421   1.000 37.810  0 90  ARG   AAA CD  1 ? 
ATOM   601  N  NE  . ARG   A 1 77  ? -10.403 -22.520 9.785   1.000 41.673  0 90  ARG   AAA NE  1 ? 
ATOM   602  C  CZ  . ARG   A 1 77  ? -11.157 -23.004 10.749  1.000 48.098  0 90  ARG   AAA CZ  1 ? 
ATOM   603  N  NH1 . ARG   A 1 77  ? -12.090 -23.891 10.452  1.000 45.003  0 90  ARG   AAA NH1 1 ? 
ATOM   604  N  NH2 . ARG   A 1 77  ? -10.984 -22.587 11.989  1.000 49.856  0 90  ARG   AAA NH2 1 ? 
ATOM   605  N  N   . HIS   A 1 78  ? -8.114  -18.878 6.427   1.000 25.787  0 91  HIS   AAA N   1 ? 
ATOM   606  C  CA  . HIS   A 1 78  ? -8.116  -17.458 6.666   1.000 26.711  0 91  HIS   AAA CA  1 ? 
ATOM   607  C  C   . HIS   A 1 78  ? -8.467  -17.254 8.136   1.000 27.488  0 91  HIS   AAA C   1 ? 
ATOM   608  O  O   . HIS   A 1 78  ? -9.351  -17.911 8.676   1.000 26.695  0 91  HIS   AAA O   1 ? 
ATOM   609  C  CB  . HIS   A 1 78  ? -9.168  -16.708 5.826   1.000 27.835  0 91  HIS   AAA CB  1 ? 
ATOM   610  C  CG  . HIS   A 1 78  ? -8.902  -15.247 5.822   1.000 28.535  0 91  HIS   AAA CG  1 ? 
ATOM   611  N  ND1 . HIS   A 1 78  ? -9.301  -14.422 6.863   1.000 29.569  0 91  HIS   AAA ND1 1 ? 
ATOM   612  C  CD2 . HIS   A 1 78  ? -8.297  -14.450 4.905   1.000 31.204  0 91  HIS   AAA CD2 1 ? 
ATOM   613  C  CE1 . HIS   A 1 78  ? -8.924  -13.173 6.582   1.000 31.188  0 91  HIS   AAA CE1 1 ? 
ATOM   614  N  NE2 . HIS   A 1 78  ? -8.284  -13.165 5.422   1.000 30.109  0 91  HIS   AAA NE2 1 ? 
ATOM   615  N  N   . PRO   A 1 79  ? -7.728  -16.385 8.846   1.000 28.588  0 92  PRO   AAA N   1 ? 
ATOM   616  C  CA  . PRO   A 1 79  ? -7.924  -16.257 10.294  1.000 32.717  0 92  PRO   AAA CA  1 ? 
ATOM   617  C  C   . PRO   A 1 79  ? -9.245  -15.644 10.719  1.000 33.283  0 92  PRO   AAA C   1 ? 
ATOM   618  O  O   . PRO   A 1 79  ? -9.639  -15.842 11.858  1.000 32.988  0 92  PRO   AAA O   1 ? 
ATOM   619  C  CB  . PRO   A 1 79  ? -6.750  -15.383 10.749  1.000 33.951  0 92  PRO   AAA CB  1 ? 
ATOM   620  C  CG  . PRO   A 1 79  ? -6.374  -14.612 9.511   1.000 37.633  0 92  PRO   AAA CG  1 ? 
ATOM   621  C  CD  . PRO   A 1 79  ? -6.623  -15.570 8.348   1.000 31.388  0 92  PRO   AAA CD  1 ? 
ATOM   622  N  N   . LYS   A 1 80  ? -9.934  -14.930 9.812   1.000 31.643  0 93  LYS   AAA N   1 ? 
ATOM   623  C  CA  . LYS   A 1 80  ? -11.260 -14.390 10.108  1.000 33.899  0 93  LYS   AAA CA  1 ? 
ATOM   624  C  C   . LYS   A 1 80  ? -12.400 -15.259 9.567   1.000 35.723  0 93  LYS   AAA C   1 ? 
ATOM   625  O  O   . LYS   A 1 80  ? -13.571 -14.872 9.615   1.000 30.638  0 93  LYS   AAA O   1 ? 
ATOM   626  C  CB  . LYS   A 1 80  ? -11.347 -12.998 9.482   1.000 39.921  0 93  LYS   AAA CB  1 ? 
ATOM   627  C  CG  . LYS   A 1 80  ? -10.317 -11.982 9.979   1.000 50.164  0 93  LYS   AAA CG  1 ? 
ATOM   628  C  CD  . LYS   A 1 80  ? -10.621 -10.525 9.565   1.000 63.529  0 93  LYS   AAA CD  1 ? 
ATOM   629  C  CE  . LYS   A 1 80  ? -11.765 -9.903  10.354  1.000 76.020  0 93  LYS   AAA CE  1 ? 
ATOM   630  N  NZ  . LYS   A 1 80  ? -12.258 -8.615  9.790   1.000 80.144  0 93  LYS   AAA NZ  1 ? 
ATOM   631  N  N   . TYR   A 1 81  ? -12.085 -16.436 8.994   1.000 31.280  0 94  TYR   AAA N   1 ? 
ATOM   632  C  CA  . TYR   A 1 81  ? -13.118 -17.311 8.454   1.000 27.166  0 94  TYR   AAA CA  1 ? 
ATOM   633  C  C   . TYR   A 1 81  ? -14.205 -17.550 9.497   1.000 28.003  0 94  TYR   AAA C   1 ? 
ATOM   634  O  O   . TYR   A 1 81  ? -13.927 -17.840 10.656  1.000 28.159  0 94  TYR   AAA O   1 ? 
ATOM   635  C  CB  . TYR   A 1 81  ? -12.522 -18.659 8.034   1.000 27.569  0 94  TYR   AAA CB  1 ? 
ATOM   636  C  CG  . TYR   A 1 81  ? -13.565 -19.680 7.682   1.000 26.511  0 94  TYR   AAA CG  1 ? 
ATOM   637  C  CD1 . TYR   A 1 81  ? -14.451 -19.442 6.644   1.000 28.469  0 94  TYR   AAA CD1 1 ? 
ATOM   638  C  CD2 . TYR   A 1 81  ? -13.677 -20.879 8.382   1.000 29.040  0 94  TYR   AAA CD2 1 ? 
ATOM   639  C  CE1 . TYR   A 1 81  ? -15.422 -20.371 6.307   1.000 29.617  0 94  TYR   AAA CE1 1 ? 
ATOM   640  C  CE2 . TYR   A 1 81  ? -14.630 -21.826 8.045   1.000 30.869  0 94  TYR   AAA CE2 1 ? 
ATOM   641  C  CZ  . TYR   A 1 81  ? -15.482 -21.576 6.996   1.000 28.651  0 94  TYR   AAA CZ  1 ? 
ATOM   642  O  OH  . TYR   A 1 81  ? -16.469 -22.415 6.618   1.000 34.565  0 94  TYR   AAA OH  1 ? 
ATOM   643  N  N   . ASN   A 1 82  ? -15.456 -17.489 9.074   1.000 27.482  0 95  ASN   AAA N   1 ? 
ATOM   644  C  CA  . ASN   A 1 82  ? -16.581 -17.552 9.990   1.000 29.869  0 95  ASN   AAA CA  1 ? 
ATOM   645  C  C   . ASN   A 1 82  ? -17.479 -18.687 9.553   1.000 31.370  0 95  ASN   AAA C   1 ? 
ATOM   646  O  O   . ASN   A 1 82  ? -17.986 -18.682 8.429   1.000 30.051  0 95  ASN   AAA O   1 ? 
ATOM   647  C  CB  . ASN   A 1 82  ? -17.373 -16.247 9.982   1.000 32.354  0 95  ASN   AAA CB  1 ? 
ATOM   648  C  CG  . ASN   A 1 82  ? -18.447 -16.221 11.047  1.000 31.014  0 95  ASN   AAA CG  1 ? 
ATOM   649  O  OD1 . ASN   A 1 82  ? -19.371 -17.031 11.032  1.000 35.057  0 95  ASN   AAA OD1 1 ? 
ATOM   650  N  ND2 . ASN   A 1 82  ? -18.287 -15.306 11.974  1.000 31.246  0 95  ASN   AAA ND2 1 ? 
ATOM   651  N  N   . THR   A 1 83  ? -17.643 -19.683 10.434  1.000 31.256  0 96  THR   AAA N   1 ? 
ATOM   652  C  CA  . THR   A 1 83  ? -18.269 -20.934 10.058  1.000 34.038  0 96  THR   AAA CA  1 ? 
ATOM   653  C  C   . THR   A 1 83  ? -19.779 -20.782 9.886   1.000 37.986  0 96  THR   AAA C   1 ? 
ATOM   654  O  O   . THR   A 1 83  ? -20.389 -21.632 9.240   1.000 46.066  0 96  THR   AAA O   1 ? 
ATOM   655  C  CB  . THR   A 1 83  ? -17.985 -22.059 11.072  1.000 39.747  0 96  THR   AAA CB  1 ? 
ATOM   656  O  OG1 . THR   A 1 83  ? -18.490 -21.617 12.344  1.000 40.444  0 96  THR   AAA OG1 1 ? 
ATOM   657  C  CG2 . THR   A 1 83  ? -16.527 -22.418 11.158  1.000 38.491  0 96  THR   AAA CG2 1 ? 
ATOM   658  N  N   . SER   A 1 84  ? -20.373 -19.711 10.424  1.000 39.199  0 97  SER   AAA N   1 ? 
ATOM   659  C  CA  . SER   A 1 84  ? -21.780 -19.433 10.235  1.000 43.253  0 97  SER   AAA CA  1 ? 
ATOM   660  C  C   . SER   A 1 84  ? -22.018 -18.659 8.943   1.000 42.847  0 97  SER   AAA C   1 ? 
ATOM   661  O  O   . SER   A 1 84  ? -22.847 -19.082 8.148   1.000 51.446  0 97  SER   AAA O   1 ? 
ATOM   662  C  CB  . SER   A 1 84  ? -22.334 -18.661 11.375  1.000 44.103  0 97  SER   AAA CB  1 ? 
ATOM   663  O  OG  . SER   A 1 84  ? -22.146 -19.392 12.562  1.000 52.738  0 97  SER   AAA OG  1 ? 
ATOM   664  N  N   . THR   A 1 85  ? -21.318 -17.520 8.772   1.000 44.089  0 98  THR   AAA N   1 ? 
ATOM   665  C  CA  . THR   A 1 85  ? -21.590 -16.595 7.667   1.000 39.631  0 98  THR   AAA CA  1 ? 
ATOM   666  C  C   . THR   A 1 85  ? -20.870 -17.019 6.393   1.000 34.767  0 98  THR   AAA C   1 ? 
ATOM   667  O  O   . THR   A 1 85  ? -21.272 -16.581 5.310   1.000 40.115  0 98  THR   AAA O   1 ? 
ATOM   668  C  CB  . THR   A 1 85  ? -21.182 -15.157 7.983   1.000 34.286  0 98  THR   AAA CB  1 ? 
ATOM   669  O  OG1 . THR   A 1 85  ? -19.796 -15.088 8.317   1.000 31.764  0 98  THR   AAA OG1 1 ? 
ATOM   670  C  CG2 . THR   A 1 85  ? -21.972 -14.579 9.136   1.000 42.455  0 98  THR   AAA CG2 1 ? 
ATOM   671  N  N   . LEU   A 1 86  ? -19.838 -17.871 6.549   1.000 27.611  0 99  LEU   AAA N   1 ? 
ATOM   672  C  CA  . LEU   A 1 86  ? -18.830 -18.229 5.561   1.000 31.406  0 99  LEU   AAA CA  1 ? 
ATOM   673  C  C   . LEU   A 1 86  ? -18.191 -16.973 4.971   1.000 24.606  0 99  LEU   AAA C   1 ? 
ATOM   674  O  O   . LEU   A 1 86  ? -17.547 -17.047 3.924   1.000 27.187  0 99  LEU   AAA O   1 ? 
ATOM   675  C  CB  . LEU   A 1 86  ? -19.384 -19.149 4.448   1.000 32.485  0 99  LEU   AAA CB  1 ? 
ATOM   676  C  CG  . LEU   A 1 86  ? -19.655 -20.646 4.731   1.000 39.431  0 99  LEU   AAA CG  1 ? 
ATOM   677  C  CD1 . LEU   A 1 86  ? -18.979 -21.581 3.739   1.000 38.463  0 99  LEU   AAA CD1 1 ? 
ATOM   678  C  CD2 . LEU   A 1 86  ? -19.334 -21.104 6.149   1.000 41.679  0 99  LEU   AAA CD2 1 ? 
ATOM   679  N  N   . HIS   A 1 87  ? -18.159 -15.862 5.711   1.000 27.493  0 100 HIS   AAA N   1 ? 
ATOM   680  C  CA  . HIS   A 1 87  ? -17.232 -14.794 5.345   1.000 26.598  0 100 HIS   AAA CA  1 ? 
ATOM   681  C  C   . HIS   A 1 87  ? -15.802 -15.335 5.364   1.000 25.545  0 100 HIS   AAA C   1 ? 
ATOM   682  O  O   . HIS   A 1 87  ? -15.465 -16.172 6.207   1.000 24.284  0 100 HIS   AAA O   1 ? 
ATOM   683  C  CB  . HIS   A 1 87  ? -17.313 -13.564 6.254   1.000 27.280  0 100 HIS   AAA CB  1 ? 
ATOM   684  C  CG  . HIS   A 1 87  ? -18.486 -12.708 5.991   1.000 29.411  0 100 HIS   AAA CG  1 ? 
ATOM   685  N  ND1 . HIS   A 1 87  ? -18.682 -11.530 6.689   1.000 35.496  0 100 HIS   AAA ND1 1 ? 
ATOM   686  C  CD2 . HIS   A 1 87  ? -19.535 -12.815 5.150   1.000 32.199  0 100 HIS   AAA CD2 1 ? 
ATOM   687  C  CE1 . HIS   A 1 87  ? -19.810 -10.944 6.248   1.000 34.428  0 100 HIS   AAA CE1 1 ? 
ATOM   688  N  NE2 . HIS   A 1 87  ? -20.358 -11.710 5.340   1.000 30.543  0 100 HIS   AAA NE2 1 ? 
ATOM   689  N  N   . HIS   A 1 88  ? -15.009 -14.903 4.373   1.000 22.026  0 101 HIS   AAA N   1 ? 
ATOM   690  C  CA  . HIS   A 1 88  ? -13.567 -15.177 4.329   1.000 24.256  0 101 HIS   AAA CA  1 ? 
ATOM   691  C  C   . HIS   A 1 88  ? -13.348 -16.668 4.131   1.000 22.445  0 101 HIS   AAA C   1 ? 
ATOM   692  O  O   . HIS   A 1 88  ? -12.444 -17.266 4.720   1.000 23.187  0 101 HIS   AAA O   1 ? 
ATOM   693  C  CB  . HIS   A 1 88  ? -12.859 -14.635 5.594   1.000 23.405  0 101 HIS   AAA CB  1 ? 
ATOM   694  C  CG  . HIS   A 1 88  ? -13.325 -13.281 6.010   1.000 28.443  0 101 HIS   AAA CG  1 ? 
ATOM   695  N  ND1 . HIS   A 1 88  ? -13.280 -12.176 5.182   1.000 29.180  0 101 HIS   AAA ND1 1 ? 
ATOM   696  C  CD2 . HIS   A 1 88  ? -13.842 -12.855 7.186   1.000 31.585  0 101 HIS   AAA CD2 1 ? 
ATOM   697  C  CE1 . HIS   A 1 88  ? -13.774 -11.120 5.842   1.000 32.485  0 101 HIS   AAA CE1 1 ? 
ATOM   698  N  NE2 . HIS   A 1 88  ? -14.111 -11.506 7.064   1.000 31.112  0 101 HIS   AAA NE2 1 ? 
ATOM   699  N  N   . ASP   A 1 89  ? -14.154 -17.228 3.216   1.000 22.834  0 102 ASP   AAA N   1 ? 
ATOM   700  C  CA  . ASP   A 1 89  ? -14.084 -18.637 2.920   1.000 23.495  0 102 ASP   AAA CA  1 ? 
ATOM   701  C  C   . ASP   A 1 89  ? -12.918 -18.881 1.966   1.000 23.471  0 102 ASP   AAA C   1 ? 
ATOM   702  O  O   . ASP   A 1 89  ? -13.113 -19.116 0.782   1.000 24.903  0 102 ASP   AAA O   1 ? 
ATOM   703  C  CB  . ASP   A 1 89  ? -15.413 -19.185 2.371   1.000 23.158  0 102 ASP   AAA CB  1 ? 
ATOM   704  C  CG  . ASP   A 1 89  ? -15.509 -20.689 2.319   1.000 23.950  0 102 ASP   AAA CG  1 ? 
ATOM   705  O  OD1 . ASP   A 1 89  ? -14.585 -21.380 2.922   1.000 23.403  0 102 ASP   AAA OD1 1 ? 
ATOM   706  O  OD2 . ASP   A 1 89  ? -16.486 -21.180 1.682   1.000 23.577  0 102 ASP   AAA OD2 1 ? 
ATOM   707  N  N   . ILE   A 1 90  ? -11.693 -18.893 2.515   1.000 21.653  0 103 ILE   AAA N   1 ? 
ATOM   708  C  CA  . ILE   A 1 90  ? -10.506 -19.078 1.696   1.000 19.908  0 103 ILE   AAA CA  1 ? 
ATOM   709  C  C   . ILE   A 1 90  ? -9.414  -19.739 2.535   1.000 21.545  0 103 ILE   AAA C   1 ? 
ATOM   710  O  O   . ILE   A 1 90  ? -9.301  -19.484 3.731   1.000 21.637  0 103 ILE   AAA O   1 ? 
ATOM   711  C  CB  . ILE   A 1 90  ? -10.076 -17.729 1.085   1.000 21.726  0 103 ILE   AAA CB  1 ? 
ATOM   712  C  CG1 . ILE   A 1 90  ? -8.950  -17.918 0.070   1.000 21.371  0 103 ILE   AAA CG1 1 ? 
ATOM   713  C  CG2 . ILE   A 1 90  ? -9.693  -16.732 2.168   1.000 21.471  0 103 ILE   AAA CG2 1 ? 
ATOM   714  C  CD1 . ILE   A 1 90  ? -8.684  -16.697 -0.736  1.000 24.845  0 103 ILE   AAA CD1 1 ? 
ATOM   715  N  N   . MET   A 1 91  ? -8.622  -20.599 1.884   1.000 20.763  0 104 MET   AAA N   1 ? 
ATOM   716  C  CA  . MET   A 1 91  ? -7.581  -21.350 2.568   1.000 20.350  0 104 MET   AAA CA  1 ? 
ATOM   717  C  C   . MET   A 1 91  ? -6.477  -21.707 1.592   1.000 20.629  0 104 MET   AAA C   1 ? 
ATOM   718  O  O   . MET   A 1 91  ? -6.781  -22.075 0.445   1.000 21.326  0 104 MET   AAA O   1 ? 
ATOM   719  C  CB  . MET   A 1 91  ? -8.181  -22.636 3.153   1.000 21.711  0 104 MET   AAA CB  1 ? 
ATOM   720  C  CG  . MET   A 1 91  ? -7.154  -23.596 3.748   1.000 21.371  0 104 MET   AAA CG  1 ? 
ATOM   721  S  SD  . MET   A 1 91  ? -7.872  -24.944 4.716   1.000 22.526  0 104 MET   AAA SD  1 ? 
ATOM   722  C  CE  . MET   A 1 91  ? -8.729  -25.793 3.403   1.000 22.079  0 104 MET   AAA CE  1 ? 
ATOM   723  N  N   . LEU   A 1 92  ? -5.219  -21.610 2.083   1.000 19.942  0 105 LEU   AAA N   1 ? 
ATOM   724  C  CA  . LEU   A 1 92  ? -4.055  -22.081 1.342   1.000 21.058  0 105 LEU   AAA CA  1 ? 
ATOM   725  C  C   . LEU   A 1 92  ? -3.559  -23.408 1.913   1.000 20.552  0 105 LEU   AAA C   1 ? 
ATOM   726  O  O   . LEU   A 1 92  ? -3.504  -23.557 3.133   1.000 22.434  0 105 LEU   AAA O   1 ? 
ATOM   727  C  CB  . LEU   A 1 92  ? -2.938  -21.035 1.377   1.000 23.816  0 105 LEU   AAA CB  1 ? 
ATOM   728  C  CG  . LEU   A 1 92  ? -3.117  -19.895 0.374   1.000 24.253  0 105 LEU   AAA CG  1 ? 
ATOM   729  C  CD1 . LEU   A 1 92  ? -2.263  -18.701 0.820   1.000 27.116  0 105 LEU   AAA CD1 1 ? 
ATOM   730  C  CD2 . LEU   A 1 92  ? -2.775  -20.339 -1.045  1.000 24.937  0 105 LEU   AAA CD2 1 ? 
ATOM   731  N  N   . LEU   A 1 93  ? -3.257  -24.363 1.015   1.000 21.005  0 106 LEU   AAA N   1 ? 
ATOM   732  C  CA  . LEU   A 1 93  ? -2.658  -25.617 1.448   1.000 19.666  0 106 LEU   AAA CA  1 ? 
ATOM   733  C  C   . LEU   A 1 93  ? -1.219  -25.668 0.966   1.000 20.276  0 106 LEU   AAA C   1 ? 
ATOM   734  O  O   . LEU   A 1 93  ? -0.977  -25.482 -0.228  1.000 21.495  0 106 LEU   AAA O   1 ? 
ATOM   735  C  CB  . LEU   A 1 93  ? -3.434  -26.755 0.833   1.000 18.868  0 106 LEU   AAA CB  1 ? 
ATOM   736  C  CG  . LEU   A 1 93  ? -4.930  -26.757 1.121   1.000 19.881  0 106 LEU   AAA CG  1 ? 
ATOM   737  C  CD1 . LEU   A 1 93  ? -5.584  -27.889 0.354   1.000 19.139  0 106 LEU   AAA CD1 1 ? 
ATOM   738  C  CD2 . LEU   A 1 93  ? -5.155  -26.894 2.602   1.000 20.237  0 106 LEU   AAA CD2 1 ? 
ATOM   739  N  N   . LYS   A 1 94  ? -0.306  -25.894 1.895   1.000 19.110  0 107 LYS   AAA N   1 ? 
ATOM   740  C  CA  . LYS   A 1 94  ? 1.086   -26.059 1.529   1.000 20.929  0 107 LYS   AAA CA  1 ? 
ATOM   741  C  C   . LYS   A 1 94  ? 1.370   -27.534 1.345   1.000 23.224  0 107 LYS   AAA C   1 ? 
ATOM   742  O  O   . LYS   A 1 94  ? 1.137   -28.351 2.222   1.000 22.055  0 107 LYS   AAA O   1 ? 
ATOM   743  C  CB  . LYS   A 1 94  ? 2.050   -25.458 2.548   1.000 24.290  0 107 LYS   AAA CB  1 ? 
ATOM   744  C  CG  . LYS   A 1 94  ? 3.518   -25.644 2.165   1.000 23.532  0 107 LYS   AAA CG  1 ? 
ATOM   745  C  CD  . LYS   A 1 94  ? 4.445   -24.824 3.082   1.000 26.540  0 107 LYS   AAA CD  1 ? 
ATOM   746  C  CE  . LYS   A 1 94  ? 5.870   -24.885 2.602   1.000 29.261  0 107 LYS   AAA CE  1 ? 
ATOM   747  N  NZ  . LYS   A 1 94  ? 6.787   -24.186 3.531   1.000 28.838  0 107 LYS   AAA NZ  1 ? 
ATOM   748  N  N   . LEU   A 1 95  ? 1.919   -27.868 0.182   1.000 21.610  0 108 LEU   AAA N   1 ? 
ATOM   749  C  CA  . LEU   A 1 95  ? 2.215   -29.232 -0.145  1.000 23.371  0 108 LEU   AAA CA  1 ? 
ATOM   750  C  C   . LEU   A 1 95  ? 3.604   -29.568 0.388   1.000 26.843  0 108 LEU   AAA C   1 ? 
ATOM   751  O  O   . LEU   A 1 95  ? 4.484   -28.709 0.517   1.000 24.837  0 108 LEU   AAA O   1 ? 
ATOM   752  C  CB  . LEU   A 1 95  ? 2.159   -29.431 -1.660  1.000 21.513  0 108 LEU   AAA CB  1 ? 
ATOM   753  C  CG  . LEU   A 1 95  ? 0.899   -28.982 -2.373  1.000 21.171  0 108 LEU   AAA CG  1 ? 
ATOM   754  C  CD1 . LEU   A 1 95  ? 1.032   -29.301 -3.867  1.000 22.005  0 108 LEU   AAA CD1 1 ? 
ATOM   755  C  CD2 . LEU   A 1 95  ? -0.349  -29.650 -1.807  1.000 22.990  0 108 LEU   AAA CD2 1 ? 
ATOM   756  N  N   . LYS   A 1 96  ? 3.772   -30.848 0.719   1.000 24.003  0 109 LYS   AAA N   1 ? 
ATOM   757  C  CA  . LYS   A 1 96  ? 5.011   -31.352 1.295   1.000 26.143  0 109 LYS   AAA CA  1 ? 
ATOM   758  C  C   . LYS   A 1 96  ? 6.189   -31.119 0.350   1.000 27.280  0 109 LYS   AAA C   1 ? 
ATOM   759  O  O   . LYS   A 1 96  ? 7.295   -30.813 0.800   1.000 29.140  0 109 LYS   AAA O   1 ? 
ATOM   760  C  CB  . LYS   A 1 96  ? 4.817   -32.838 1.602   1.000 28.635  0 109 LYS   AAA CB  1 ? 
ATOM   761  C  CG  . LYS   A 1 96  ? 5.992   -33.590 2.222   1.000 34.299  0 109 LYS   AAA CG  1 ? 
ATOM   762  C  CD  . LYS   A 1 96  ? 6.458   -33.010 3.508   1.000 39.752  0 109 LYS   AAA CD  1 ? 
ATOM   763  C  CE  . LYS   A 1 96  ? 7.375   -33.951 4.266   1.000 42.208  0 109 LYS   AAA CE  1 ? 
ATOM   764  N  NZ  . LYS   A 1 96  ? 6.603   -34.674 5.293   1.000 31.680  0 109 LYS   AAA NZ  1 ? 
ATOM   765  N  N   . GLU   A 1 97  ? 5.971   -31.324 -0.944  1.000 22.769  0 110 GLU   AAA N   1 ? 
ATOM   766  C  CA  . GLU   A 1 97  ? 6.991   -31.000 -1.936  1.000 26.137  0 110 GLU   AAA CA  1 ? 
ATOM   767  C  C   . GLU   A 1 97  ? 6.363   -30.221 -3.087  1.000 24.814  0 110 GLU   AAA C   1 ? 
ATOM   768  O  O   . GLU   A 1 97  ? 5.170   -30.148 -3.239  1.000 23.661  0 110 GLU   AAA O   1 ? 
ATOM   769  C  CB  . GLU   A 1 97  ? 7.687   -32.253 -2.460  1.000 30.925  0 110 GLU   AAA CB  1 ? 
ATOM   770  C  CG  . GLU   A 1 97  ? 8.571   -32.957 -1.418  1.000 42.858  0 110 GLU   AAA CG  1 ? 
ATOM   771  C  CD  . GLU   A 1 97  ? 9.726   -32.172 -0.789  1.000 52.364  0 110 GLU   AAA CD  1 ? 
ATOM   772  O  OE1 . GLU   A 1 97  ? 9.984   -32.390 0.414   1.000 50.811  0 110 GLU   AAA OE1 1 ? 
ATOM   773  O  OE2 . GLU   A 1 97  ? 10.359  -31.311 -1.478  1.000 54.301  0 110 GLU   AAA OE2 1 ? 
ATOM   774  N  N   . LYS   A 1 98  ? 7.208   -29.665 -3.940  1.000 24.158  0 111 LYS   AAA N   1 ? 
ATOM   775  C  CA  . LYS   A 1 98  ? 6.715   -28.962 -5.109  1.000 23.540  0 111 LYS   AAA CA  1 ? 
ATOM   776  C  C   . LYS   A 1 98  ? 6.305   -30.002 -6.139  1.000 23.063  0 111 LYS   AAA C   1 ? 
ATOM   777  O  O   . LYS   A 1 98  ? 7.007   -31.007 -6.358  1.000 25.893  0 111 LYS   AAA O   1 ? 
ATOM   778  C  CB  . LYS   A 1 98  ? 7.816   -28.022 -5.610  1.000 25.569  0 111 LYS   AAA CB  1 ? 
ATOM   779  C  CG  . LYS   A 1 98  ? 7.973   -26.799 -4.722  1.000 28.195  0 111 LYS   AAA CG  1 ? 
ATOM   780  C  CD  . LYS   A 1 98  ? 9.147   -25.890 -5.037  1.000 36.204  0 111 LYS   AAA CD  1 ? 
ATOM   781  C  CE  . LYS   A 1 98  ? 9.168   -24.658 -4.148  1.000 41.229  0 111 LYS   AAA CE  1 ? 
ATOM   782  N  NZ  . LYS   A 1 98  ? 9.983   -23.563 -4.748  1.000 46.358  0 111 LYS   AAA NZ  1 ? 
ATOM   783  N  N   . ALA   A 1 99  ? 5.147   -29.776 -6.736  1.000 22.576  0 112 ALA   AAA N   1 ? 
ATOM   784  C  CA  . ALA   A 1 99  ? 4.641   -30.620 -7.791  1.000 22.329  0 112 ALA   AAA CA  1 ? 
ATOM   785  C  C   . ALA   A 1 99  ? 5.588   -30.565 -8.987  1.000 25.861  0 112 ALA   AAA C   1 ? 
ATOM   786  O  O   . ALA   A 1 99  ? 6.280   -29.575 -9.210  1.000 23.069  0 112 ALA   AAA O   1 ? 
ATOM   787  C  CB  . ALA   A 1 99  ? 3.256   -30.180 -8.196  1.000 22.400  0 112 ALA   AAA CB  1 ? 
ATOM   788  N  N   . SER   A 1 100 ? 5.507   -31.615 -9.793  1.000 23.974  0 113 SER   AAA N   1 ? 
ATOM   789  C  CA  . SER   A 1 100 ? 6.174   -31.663 -11.074 1.000 24.719  0 113 SER   AAA CA  1 ? 
ATOM   790  C  C   . SER   A 1 100 ? 5.285   -30.926 -12.061 1.000 23.390  0 113 SER   AAA C   1 ? 
ATOM   791  O  O   . SER   A 1 100 ? 4.077   -31.018 -11.973 1.000 22.932  0 113 SER   AAA O   1 ? 
ATOM   792  C  CB  . SER   A 1 100 ? 6.441   -33.066 -11.526 1.000 25.206  0 113 SER   AAA CB  1 ? 
ATOM   793  O  OG  . SER   A 1 100 ? 7.328   -33.766 -10.667 1.000 25.932  0 113 SER   AAA OG  1 ? 
ATOM   794  N  N   . LEU   A 1 101 ? 5.903   -30.163 -12.966 1.000 21.545  0 114 LEU   AAA N   1 ? 
ATOM   795  C  CA  . LEU   A 1 101 ? 5.217   -29.530 -14.061 1.000 21.355  0 114 LEU   AAA CA  1 ? 
ATOM   796  C  C   . LEU   A 1 101 ? 5.201   -30.486 -15.240 1.000 23.648  0 114 LEU   AAA C   1 ? 
ATOM   797  O  O   . LEU   A 1 101 ? 6.264   -30.997 -15.623 1.000 23.384  0 114 LEU   AAA O   1 ? 
ATOM   798  C  CB  . LEU   A 1 101 ? 6.021   -28.284 -14.446 1.000 22.329  0 114 LEU   AAA CB  1 ? 
ATOM   799  C  CG  . LEU   A 1 101 ? 6.133   -27.237 -13.343 1.000 22.355  0 114 LEU   AAA CG  1 ? 
ATOM   800  C  CD1 . LEU   A 1 101 ? 6.907   -26.040 -13.854 1.000 23.848  0 114 LEU   AAA CD1 1 ? 
ATOM   801  C  CD2 . LEU   A 1 101 ? 4.748   -26.813 -12.878 1.000 25.337  0 114 LEU   AAA CD2 1 ? 
ATOM   802  N  N   . THR   A 1 102 ? 3.996   -30.749 -15.748 1.000 21.445  0 115 THR   AAA N   1 ? 
ATOM   803  C  CA  . THR   A 1 102 ? 3.787   -31.680 -16.846 1.000 22.347  0 115 THR   AAA CA  1 ? 
ATOM   804  C  C   . THR   A 1 102 ? 2.736   -31.052 -17.731 1.000 23.337  0 115 THR   AAA C   1 ? 
ATOM   805  O  O   . THR   A 1 102 ? 2.147   -30.050 -17.366 1.000 23.011  0 115 THR   AAA O   1 ? 
ATOM   806  C  CB  . THR   A 1 102 ? 3.311   -33.070 -16.369 1.000 22.976  0 115 THR   AAA CB  1 ? 
ATOM   807  O  OG1 . THR   A 1 102 ? 1.991   -32.928 -15.820 1.000 21.353  0 115 THR   AAA OG1 1 ? 
ATOM   808  C  CG2 . THR   A 1 102 ? 4.246   -33.714 -15.383 1.000 23.674  0 115 THR   AAA CG2 1 ? 
ATOM   809  N  N   . LEU   A 1 103 ? 2.447   -31.680 -18.871 1.000 24.006  0 116 LEU   AAA N   1 ? 
ATOM   810  C  CA  . LEU   A 1 103 ? 1.363   -31.142 -19.662 1.000 25.406  0 116 LEU   AAA CA  1 ? 
ATOM   811  C  C   . LEU   A 1 103 ? 0.068   -31.080 -18.854 1.000 23.900  0 116 LEU   AAA C   1 ? 
ATOM   812  O  O   . LEU   A 1 103 ? -0.728  -30.156 -19.056 1.000 25.703  0 116 LEU   AAA O   1 ? 
ATOM   813  C  CB  . LEU   A 1 103 ? 1.164   -32.009 -20.893 1.000 26.619  0 116 LEU   AAA CB  1 ? 
ATOM   814  C  CG  . LEU   A 1 103 ? 0.082   -31.523 -21.842 1.000 30.906  0 116 LEU   AAA CG  1 ? 
ATOM   815  C  CD1 . LEU   A 1 103 ? 0.293   -30.059 -22.228 1.000 32.680  0 116 LEU   AAA CD1 1 ? 
ATOM   816  C  CD2 . LEU   A 1 103 ? 0.106   -32.392 -23.092 1.000 33.883  0 116 LEU   AAA CD2 1 ? 
ATOM   817  N  N   . ALA   A 1 104 ? -0.160  -32.085 -18.000 1.000 20.992  0 117 ALA   AAA N   1 ? 
ATOM   818  C  CA  . ALA   A 1 104 ? -1.401  -32.251 -17.243 1.000 21.281  0 117 ALA   AAA CA  1 ? 
ATOM   819  C  C   . ALA   A 1 104 ? -1.415  -31.492 -15.918 1.000 22.882  0 117 ALA   AAA C   1 ? 
ATOM   820  O  O   . ALA   A 1 104 ? -2.440  -31.453 -15.280 1.000 22.055  0 117 ALA   AAA O   1 ? 
ATOM   821  C  CB  . ALA   A 1 104 ? -1.590  -33.720 -16.924 1.000 23.871  0 117 ALA   AAA CB  1 ? 
ATOM   822  N  N   . VAL   A 1 105 ? -0.259  -30.994 -15.460 1.000 22.068  0 118 VAL   AAA N   1 ? 
ATOM   823  C  CA  . VAL   A 1 105 ? -0.158  -30.301 -14.188 1.000 21.666  0 118 VAL   AAA CA  1 ? 
ATOM   824  C  C   . VAL   A 1 105 ? 0.638   -29.008 -14.362 1.000 21.579  0 118 VAL   AAA C   1 ? 
ATOM   825  O  O   . VAL   A 1 105 ? 1.803   -29.038 -14.722 1.000 25.508  0 118 VAL   AAA O   1 ? 
ATOM   826  C  CB  . VAL   A 1 105 ? 0.430   -31.198 -13.092 1.000 20.666  0 118 VAL   AAA CB  1 ? 
ATOM   827  C  CG1 . VAL   A 1 105 ? 0.626   -30.433 -11.752 1.000 21.081  0 118 VAL   AAA CG1 1 ? 
ATOM   828  C  CG2 . VAL   A 1 105 ? -0.444  -32.431 -12.844 1.000 21.332  0 118 VAL   AAA CG2 1 ? 
ATOM   829  N  N   . GLY   A 1 106 ? 0.004   -27.877 -14.027 1.000 23.024  0 119 GLY   AAA N   1 ? 
ATOM   830  C  CA  . GLY   A 1 106 ? 0.696   -26.593 -14.031 1.000 22.416  0 119 GLY   AAA CA  1 ? 
ATOM   831  C  C   . GLY   A 1 106 ? -0.044  -25.627 -13.116 1.000 22.037  0 119 GLY   AAA C   1 ? 
ATOM   832  O  O   . GLY   A 1 106 ? -1.137  -25.945 -12.663 1.000 23.137  0 119 GLY   AAA O   1 ? 
ATOM   833  N  N   . THR   A 1 107 ? 0.586   -24.503 -12.793 1.000 24.066  0 120 THR   AAA N   1 ? 
ATOM   834  C  CA  . THR   A 1 107 ? -0.020  -23.486 -11.936 1.000 23.703  0 120 THR   AAA CA  1 ? 
ATOM   835  C  C   . THR   A 1 107 ? -0.906  -22.552 -12.745 1.000 29.519  0 120 THR   AAA C   1 ? 
ATOM   836  O  O   . THR   A 1 107 ? -0.759  -22.376 -13.958 1.000 27.266  0 120 THR   AAA O   1 ? 
ATOM   837  C  CB  . THR   A 1 107 ? 1.043   -22.666 -11.183 1.000 26.372  0 120 THR   AAA CB  1 ? 
ATOM   838  O  OG1 . THR   A 1 107 ? 1.784   -21.904 -12.150 1.000 28.488  0 120 THR   AAA OG1 1 ? 
ATOM   839  C  CG2 . THR   A 1 107 ? 1.997   -23.532 -10.409 1.000 27.603  0 120 THR   AAA CG2 1 ? 
ATOM   840  N  N   . LEU   A 1 108 ? -1.801  -21.893 -12.042 1.000 26.961  0 121 LEU   AAA N   1 ? 
ATOM   841  C  CA  . LEU   A 1 108 ? -2.556  -20.807 -12.631 1.000 33.628  0 121 LEU   AAA CA  1 ? 
ATOM   842  C  C   . LEU   A 1 108 ? -2.006  -19.474 -12.104 1.000 38.839  0 121 LEU   AAA C   1 ? 
ATOM   843  O  O   . LEU   A 1 108 ? -2.290  -19.263 -10.910 1.000 44.271  0 121 LEU   AAA O   1 ? 
ATOM   844  C  CB  . LEU   A 1 108 ? -4.019  -21.015 -12.244 1.000 30.188  0 121 LEU   AAA CB  1 ? 
ATOM   845  C  CG  . LEU   A 1 108 ? -5.008  -20.012 -12.846 1.000 35.891  0 121 LEU   AAA CG  1 ? 
ATOM   846  C  CD1 . LEU   A 1 108 ? -5.052  -20.115 -14.356 1.000 41.521  0 121 LEU   AAA CD1 1 ? 
ATOM   847  C  CD2 . LEU   A 1 108 ? -6.380  -20.239 -12.265 1.000 38.852  0 121 LEU   AAA CD2 1 ? 
ATOM   848  N  N   . GLY   A 1 120 ? -22.357 -8.811  -15.864 1.000 43.658  0 133 GLY   AAA N   1 ? 
ATOM   849  C  CA  . GLY   A 1 120 ? -22.974 -9.603  -16.945 1.000 46.342  0 133 GLY   AAA CA  1 ? 
ATOM   850  C  C   . GLY   A 1 120 ? -21.988 -10.408 -17.808 1.000 45.434  0 133 GLY   AAA C   1 ? 
ATOM   851  O  O   . GLY   A 1 120 ? -22.399 -11.010 -18.807 1.000 50.332  0 133 GLY   AAA O   1 ? 
ATOM   852  N  N   . ARG   A 1 121 ? -20.717 -10.499 -17.388 1.000 45.200  0 134 ARG   AAA N   1 ? 
ATOM   853  C  CA  . ARG   A 1 121 ? -19.731 -11.271 -18.122 1.000 48.808  0 134 ARG   AAA CA  1 ? 
ATOM   854  C  C   . ARG   A 1 121 ? -19.813 -12.755 -17.738 1.000 45.279  0 134 ARG   AAA C   1 ? 
ATOM   855  O  O   . ARG   A 1 121 ? -20.426 -13.147 -16.734 1.000 37.039  0 134 ARG   AAA O   1 ? 
ATOM   856  C  CB  . ARG   A 1 121 ? -18.344 -10.650 -17.955 1.000 54.620  0 134 ARG   AAA CB  1 ? 
ATOM   857  C  CG  . ARG   A 1 121 ? -17.734 -10.752 -16.569 1.000 68.300  0 134 ARG   AAA CG  1 ? 
ATOM   858  C  CD  . ARG   A 1 121 ? -16.337 -10.134 -16.502 1.000 91.061  0 134 ARG   AAA CD  1 ? 
ATOM   859  N  NE  . ARG   A 1 121 ? -15.333 -10.715 -17.402 1.000 102.357 0 134 ARG   AAA NE  1 ? 
ATOM   860  C  CZ  . ARG   A 1 121 ? -15.152 -10.384 -18.681 1.000 103.733 0 134 ARG   AAA CZ  1 ? 
ATOM   861  N  NH1 . ARG   A 1 121 ? -15.895 -9.447  -19.244 1.000 104.526 0 134 ARG   AAA NH1 1 ? 
ATOM   862  N  NH2 . ARG   A 1 121 ? -14.215 -10.991 -19.394 1.000 95.996  0 134 ARG   AAA NH2 1 ? 
ATOM   863  N  N   . MET   A 1 122 ? -19.304 -13.590 -18.646 1.000 34.796  0 135 MET   AAA N   1 ? 
ATOM   864  C  CA  . MET   A 1 122 ? -19.439 -15.025 -18.516 1.000 36.233  0 135 MET   AAA CA  1 ? 
ATOM   865  C  C   . MET   A 1 122 ? -18.120 -15.573 -17.966 1.000 34.167  0 135 MET   AAA C   1 ? 
ATOM   866  O  O   . MET   A 1 122 ? -17.031 -15.205 -18.386 1.000 33.275  0 135 MET   AAA O   1 ? 
ATOM   867  C  CB  . MET   A 1 122 ? -19.843 -15.694 -19.837 1.000 42.537  0 135 MET   AAA CB  1 ? 
ATOM   868  C  CG  . MET   A 1 122 ? -21.318 -15.391 -20.241 1.000 48.398  0 135 MET   AAA CG  1 ? 
ATOM   869  S  SD  . MET   A 1 122 ? -22.632 -16.171 -19.185 1.000 52.006  0 135 MET   AAA SD  1 ? 
ATOM   870  C  CE  . MET   A 1 122 ? -24.057 -15.361 -19.913 1.000 56.925  0 135 MET   AAA CE  1 ? 
ATOM   871  N  N   . CYS   A 1 123 ? -18.236 -16.418 -16.956 1.000 31.091  0 136 CYS   AAA N   1 ? 
ATOM   872  C  CA  . CYS   A 1 123 ? -17.073 -17.004 -16.321 1.000 31.251  0 136 CYS   AAA CA  1 ? 
ATOM   873  C  C   . CYS   A 1 123 ? -17.257 -18.514 -16.309 1.000 29.090  0 136 CYS   AAA C   1 ? 
ATOM   874  O  O   . CYS   A 1 123 ? -18.313 -19.009 -16.670 1.000 34.620  0 136 CYS   AAA O   1 ? 
ATOM   875  C  CB  . CYS   A 1 123 ? -16.914 -16.482 -14.895 1.000 34.351  0 136 CYS   AAA CB  1 ? 
ATOM   876  S  SG  . CYS   A 1 123 ? -16.821 -14.667 -14.821 1.000 34.957  0 136 CYS   AAA SG  1 ? 
ATOM   877  N  N   . ARG   A 1 124 ? -16.206 -19.251 -15.981 1.000 29.725  0 137 ARG   AAA N   1 ? 
ATOM   878  C  CA  . ARG   A 1 124 ? -16.292 -20.702 -16.069 1.000 27.532  0 137 ARG   AAA CA  1 ? 
ATOM   879  C  C   . ARG   A 1 124 ? -15.824 -21.282 -14.726 1.000 25.590  0 137 ARG   AAA C   1 ? 
ATOM   880  O  O   . ARG   A 1 124 ? -14.927 -20.710 -14.112 1.000 25.237  0 137 ARG   AAA O   1 ? 
ATOM   881  C  CB  . ARG   A 1 124 ? -15.455 -21.183 -17.264 1.000 34.496  0 137 ARG   AAA CB  1 ? 
ATOM   882  C  CG  . ARG   A 1 124 ? -13.957 -21.341 -17.025 1.000 44.982  0 137 ARG   AAA CG  1 ? 
ATOM   883  C  CD  . ARG   A 1 124 ? -13.042 -21.470 -18.269 1.000 55.480  0 137 ARG   AAA CD  1 ? 
ATOM   884  N  NE  . ARG   A 1 124 ? -12.324 -20.232 -18.562 1.000 61.905  0 137 ARG   AAA NE  1 ? 
ATOM   885  C  CZ  . ARG   A 1 124 ? -12.910 -19.041 -18.756 1.000 66.719  0 137 ARG   AAA CZ  1 ? 
ATOM   886  N  NH1 . ARG   A 1 124 ? -14.214 -18.969 -18.975 1.000 77.033  0 137 ARG   AAA NH1 1 ? 
ATOM   887  N  NH2 . ARG   A 1 124 ? -12.202 -17.918 -18.759 1.000 44.500  0 137 ARG   AAA NH2 1 ? 
ATOM   888  N  N   . VAL   A 1 125 ? -16.440 -22.405 -14.310 1.000 27.014  0 138 VAL   AAA N   1 ? 
ATOM   889  C  CA  . VAL   A 1 125 ? -16.036 -23.126 -13.109 1.000 25.735  0 138 VAL   AAA CA  1 ? 
ATOM   890  C  C   . VAL   A 1 125 ? -16.086 -24.626 -13.394 1.000 23.990  0 138 VAL   AAA C   1 ? 
ATOM   891  O  O   . VAL   A 1 125 ? -17.007 -25.119 -14.033 1.000 22.345  0 138 VAL   AAA O   1 ? 
ATOM   892  C  CB  . VAL   A 1 125 ? -16.918 -22.721 -11.907 1.000 29.048  0 138 VAL   AAA CB  1 ? 
ATOM   893  C  CG1 . VAL   A 1 125 ? -18.383 -22.990 -12.166 1.000 30.733  0 138 VAL   AAA CG1 1 ? 
ATOM   894  C  CG2 . VAL   A 1 125 ? -16.454 -23.399 -10.605 1.000 28.969  0 138 VAL   AAA CG2 1 ? 
ATOM   895  N  N   . ALA   A 1 126 ? -15.060 -25.350 -12.908 1.000 21.171  0 139 ALA   AAA N   1 ? 
ATOM   896  C  CA  . ALA   A 1 126 ? -14.904 -26.766 -13.119 1.000 22.447  0 139 ALA   AAA CA  1 ? 
ATOM   897  C  C   . ALA   A 1 126 ? -14.897 -27.458 -11.755 1.000 21.231  0 139 ALA   AAA C   1 ? 
ATOM   898  O  O   . ALA   A 1 126 ? -14.526 -26.852 -10.755 1.000 22.505  0 139 ALA   AAA O   1 ? 
ATOM   899  C  CB  . ALA   A 1 126 ? -13.615 -27.047 -13.837 1.000 24.300  0 139 ALA   AAA CB  1 ? 
ATOM   900  N  N   . GLY   A 1 127 ? -15.305 -28.713 -11.739 1.000 20.613  0 140 GLY   AAA N   1 ? 
ATOM   901  C  CA  . GLY   A 1 127 ? -15.258 -29.495 -10.513 1.000 21.955  0 140 GLY   AAA CA  1 ? 
ATOM   902  C  C   . GLY   A 1 127 ? -15.735 -30.920 -10.711 1.000 23.226  0 140 GLY   AAA C   1 ? 
ATOM   903  O  O   . GLY   A 1 127 ? -16.232 -31.289 -11.778 1.000 22.769  0 140 GLY   AAA O   1 ? 
ATOM   904  N  N   . TRP   A 1 128 ? -15.486 -31.725 -9.672  1.000 22.761  0 141 TRP   AAA N   1 ? 
ATOM   905  C  CA  . TRP   A 1 128 ? -15.919 -33.110 -9.645  1.000 22.690  0 141 TRP   AAA CA  1 ? 
ATOM   906  C  C   . TRP   A 1 128 ? -17.166 -33.273 -8.778  1.000 24.966  0 141 TRP   AAA C   1 ? 
ATOM   907  O  O   . TRP   A 1 128 ? -17.514 -34.395 -8.399  1.000 26.116  0 141 TRP   AAA O   1 ? 
ATOM   908  C  CB  . TRP   A 1 128 ? -14.786 -33.974 -9.098  1.000 23.361  0 141 TRP   AAA CB  1 ? 
ATOM   909  C  CG  . TRP   A 1 128 ? -13.598 -34.106 -9.994  1.000 22.687  0 141 TRP   AAA CG  1 ? 
ATOM   910  C  CD1 . TRP   A 1 128 ? -13.416 -35.097 -10.906 1.000 23.819  0 141 TRP   AAA CD1 1 ? 
ATOM   911  C  CD2 . TRP   A 1 128 ? -12.404 -33.316 -10.016 1.000 21.976  0 141 TRP   AAA CD2 1 ? 
ATOM   912  N  NE1 . TRP   A 1 128 ? -12.229 -34.951 -11.537 1.000 22.195  0 141 TRP   AAA NE1 1 ? 
ATOM   913  C  CE2 . TRP   A 1 128 ? -11.569 -33.883 -10.996 1.000 23.695  0 141 TRP   AAA CE2 1 ? 
ATOM   914  C  CE3 . TRP   A 1 128 ? -11.960 -32.167 -9.330  1.000 21.950  0 141 TRP   AAA CE3 1 ? 
ATOM   915  C  CZ2 . TRP   A 1 128 ? -10.307 -33.361 -11.312 1.000 24.698  0 141 TRP   AAA CZ2 1 ? 
ATOM   916  C  CZ3 . TRP   A 1 128 ? -10.705 -31.688 -9.622  1.000 24.374  0 141 TRP   AAA CZ3 1 ? 
ATOM   917  C  CH2 . TRP   A 1 128 ? -9.907  -32.246 -10.612 1.000 25.569  0 141 TRP   AAA CH2 1 ? 
ATOM   918  N  N   . GLY   A 1 129 ? -17.868 -32.179 -8.494  1.000 26.061  0 142 GLY   AAA N   1 ? 
ATOM   919  C  CA  . GLY   A 1 129 ? -19.003 -32.278 -7.598  1.000 23.271  0 142 GLY   AAA CA  1 ? 
ATOM   920  C  C   . GLY   A 1 129 ? -20.228 -32.948 -8.243  1.000 23.076  0 142 GLY   AAA C   1 ? 
ATOM   921  O  O   . GLY   A 1 129 ? -20.201 -33.371 -9.393  1.000 25.566  0 142 GLY   AAA O   1 ? 
ATOM   922  N  N   . ARG   A 1 130 ? -21.303 -33.001 -7.461  1.000 24.819  0 143 ARG   AAA N   1 ? 
ATOM   923  C  CA  . ARG   A 1 130 ? -22.568 -33.574 -7.864  1.000 29.190  0 143 ARG   AAA CA  1 ? 
ATOM   924  C  C   . ARG   A 1 130 ? -23.119 -32.869 -9.096  1.000 29.838  0 143 ARG   AAA C   1 ? 
ATOM   925  O  O   . ARG   A 1 130 ? -22.983 -31.657 -9.276  1.000 27.559  0 143 ARG   AAA O   1 ? 
ATOM   926  C  CB  . ARG   A 1 130 ? -23.613 -33.466 -6.744  1.000 32.846  0 143 ARG   AAA CB  1 ? 
ATOM   927  C  CG  . ARG   A 1 130 ? -23.168 -34.058 -5.412  1.000 34.981  0 143 ARG   AAA CG  1 ? 
ATOM   928  C  CD  . ARG   A 1 130 ? -24.312 -34.217 -4.447  1.000 37.241  0 143 ARG   AAA CD  1 ? 
ATOM   929  N  NE  . ARG   A 1 130 ? -23.809 -34.433 -3.107  1.000 47.203  0 143 ARG   AAA NE  1 ? 
ATOM   930  C  CZ  . ARG   A 1 130 ? -23.891 -35.568 -2.440  1.000 57.331  0 143 ARG   AAA CZ  1 ? 
ATOM   931  N  NH1 . ARG   A 1 130 ? -24.200 -36.686 -3.072  1.000 67.453  0 143 ARG   AAA NH1 1 ? 
ATOM   932  N  NH2 . ARG   A 1 130 ? -23.593 -35.588 -1.154  1.000 59.083  0 143 ARG   AAA NH2 1 ? 
ATOM   933  N  N   . THR   A 1 131 ? -23.762 -33.674 -9.947  1.000 31.996  0 144 THR   AAA N   1 ? 
ATOM   934  C  CA  . THR   A 1 131 ? -24.287 -33.222 -11.219 1.000 31.933  0 144 THR   AAA CA  1 ? 
ATOM   935  C  C   . THR   A 1 131 ? -25.787 -32.952 -11.086 1.000 32.472  0 144 THR   AAA C   1 ? 
ATOM   936  O  O   . THR   A 1 131 ? -26.429 -32.624 -12.065 1.000 32.514  0 144 THR   AAA O   1 ? 
ATOM   937  C  CB  . THR   A 1 131 ? -23.931 -34.229 -12.309 1.000 34.991  0 144 THR   AAA CB  1 ? 
ATOM   938  O  OG1 . THR   A 1 131 ? -24.594 -35.437 -11.916 1.000 32.917  0 144 THR   AAA OG1 1 ? 
ATOM   939  C  CG2 . THR   A 1 131 ? -22.428 -34.395 -12.444 1.000 38.097  0 144 THR   AAA CG2 1 ? 
ATOM   940  N  N   . GLY   A 1 132 ? -26.315 -33.062 -9.870  1.000 34.107  0 145 GLY   AAA N   1 ? 
ATOM   941  C  CA  . GLY   A 1 132 ? -27.707 -32.755 -9.571  1.000 34.333  0 145 GLY   AAA CA  1 ? 
ATOM   942  C  C   . GLY   A 1 132 ? -27.936 -32.854 -8.069  1.000 35.188  0 145 GLY   AAA C   1 ? 
ATOM   943  O  O   . GLY   A 1 132 ? -27.104 -33.405 -7.371  1.000 33.951  0 145 GLY   AAA O   1 ? 
ATOM   944  N  N   . VAL   A 1 133 ? -29.041 -32.287 -7.577  1.000 34.583  0 146 VAL   AAA N   1 ? 
ATOM   945  C  CA  . VAL   A 1 133 ? -29.319 -32.285 -6.156  1.000 37.107  0 146 VAL   AAA CA  1 ? 
ATOM   946  C  C   . VAL   A 1 133 ? -29.208 -33.706 -5.610  1.000 40.968  0 146 VAL   AAA C   1 ? 
ATOM   947  O  O   . VAL   A 1 133 ? -28.679 -33.910 -4.528  1.000 45.513  0 146 VAL   AAA O   1 ? 
ATOM   948  C  CB  . VAL   A 1 133 ? -30.697 -31.663 -5.843  1.000 46.479  0 146 VAL   AAA CB  1 ? 
ATOM   949  C  CG1 . VAL   A 1 133 ? -31.107 -31.880 -4.393  1.000 49.548  0 146 VAL   AAA CG1 1 ? 
ATOM   950  C  CG2 . VAL   A 1 133 ? -30.725 -30.174 -6.155  1.000 45.503  0 146 VAL   AAA CG2 1 ? 
ATOM   951  N  N   . LEU   A 1 134 ? -29.749 -34.688 -6.327  1.000 41.563  0 147 LEU   AAA N   1 ? 
ATOM   952  C  CA  . LEU   A 1 134 ? -29.799 -36.036 -5.773  1.000 48.003  0 147 LEU   AAA CA  1 ? 
ATOM   953  C  C   . LEU   A 1 134 ? -28.825 -36.975 -6.470  1.000 46.521  0 147 LEU   AAA C   1 ? 
ATOM   954  O  O   . LEU   A 1 134 ? -28.946 -38.193 -6.329  1.000 47.790  0 147 LEU   AAA O   1 ? 
ATOM   955  C  CB  . LEU   A 1 134 ? -31.238 -36.534 -5.924  1.000 49.656  0 147 LEU   AAA CB  1 ? 
ATOM   956  C  CG  . LEU   A 1 134 ? -32.263 -35.649 -5.218  1.000 56.628  0 147 LEU   AAA CG  1 ? 
ATOM   957  C  CD1 . LEU   A 1 134 ? -33.688 -36.148 -5.460  1.000 60.176  0 147 LEU   AAA CD1 1 ? 
ATOM   958  C  CD2 . LEU   A 1 134 ? -31.938 -35.569 -3.724  1.000 56.636  0 147 LEU   AAA CD2 1 ? 
ATOM   959  N  N   . LYS   A 1 135 ? -27.851 -36.421 -7.193  1.000 40.521  0 148 LYS   AAA N   1 ? 
ATOM   960  C  CA  . LYS   A 1 135 ? -26.942 -37.242 -7.967  1.000 38.578  0 148 LYS   AAA CA  1 ? 
ATOM   961  C  C   . LYS   A 1 135 ? -25.613 -37.290 -7.242  1.000 37.065  0 148 LYS   AAA C   1 ? 
ATOM   962  O  O   . LYS   A 1 135 ? -25.260 -36.358 -6.531  1.000 36.470  0 148 LYS   AAA O   1 ? 
ATOM   963  C  CB  . LYS   A 1 135 ? -26.828 -36.680 -9.377  1.000 44.240  0 148 LYS   AAA CB  1 ? 
ATOM   964  C  CG  . LYS   A 1 135 ? -28.156 -36.646 -10.119 1.000 55.149  0 148 LYS   AAA CG  1 ? 
ATOM   965  C  CD  . LYS   A 1 135 ? -27.994 -36.618 -11.615 1.000 62.250  0 148 LYS   AAA CD  1 ? 
ATOM   966  C  CE  . LYS   A 1 135 ? -29.271 -36.227 -12.327 1.000 69.814  0 148 LYS   AAA CE  1 ? 
ATOM   967  N  NZ  . LYS   A 1 135 ? -28.976 -35.529 -13.601 1.000 71.411  0 148 LYS   AAA NZ  1 ? 
ATOM   968  N  N   . PRO   A 1 136 ? -24.839 -38.371 -7.420  1.000 36.017  0 150 PRO   AAA N   1 ? 
ATOM   969  C  CA  . PRO   A 1 136 ? -23.523 -38.469 -6.801  1.000 39.610  0 150 PRO   AAA CA  1 ? 
ATOM   970  C  C   . PRO   A 1 136 ? -22.510 -37.516 -7.453  1.000 32.778  0 150 PRO   AAA C   1 ? 
ATOM   971  O  O   . PRO   A 1 136 ? -22.745 -36.921 -8.518  1.000 29.743  0 150 PRO   AAA O   1 ? 
ATOM   972  C  CB  . PRO   A 1 136 ? -23.166 -39.952 -7.027  1.000 39.447  0 150 PRO   AAA CB  1 ? 
ATOM   973  C  CG  . PRO   A 1 136 ? -23.854 -40.303 -8.327  1.000 44.924  0 150 PRO   AAA CG  1 ? 
ATOM   974  C  CD  . PRO   A 1 136 ? -25.145 -39.512 -8.300  1.000 43.008  0 150 PRO   AAA CD  1 ? 
ATOM   975  N  N   . GLY   A 1 137 ? -21.374 -37.375 -6.781  1.000 33.433  0 151 GLY   AAA N   1 ? 
ATOM   976  C  CA  . GLY   A 1 137 ? -20.256 -36.675 -7.375  1.000 29.946  0 151 GLY   AAA CA  1 ? 
ATOM   977  C  C   . GLY   A 1 137 ? -19.844 -37.322 -8.687  1.000 31.288  0 151 GLY   AAA C   1 ? 
ATOM   978  O  O   . GLY   A 1 137 ? -19.997 -38.528 -8.891  1.000 32.788  0 151 GLY   AAA O   1 ? 
ATOM   979  N  N   . SER   A 1 138 ? -19.368 -36.476 -9.592  1.000 30.027  0 152 SER   AAA N   1 ? 
ATOM   980  C  CA  . SER   A 1 138 ? -18.942 -36.848 -10.915 1.000 28.388  0 152 SER   AAA CA  1 ? 
ATOM   981  C  C   . SER   A 1 138 ? -17.621 -37.611 -10.852 1.000 30.741  0 152 SER   AAA C   1 ? 
ATOM   982  O  O   . SER   A 1 138 ? -16.703 -37.189 -10.150 1.000 30.548  0 152 SER   AAA O   1 ? 
ATOM   983  C  CB  . SER   A 1 138 ? -18.792 -35.592 -11.760 1.000 30.556  0 152 SER   AAA CB  1 ? 
ATOM   984  O  OG  . SER   A 1 138 ? -18.413 -35.949 -13.097 1.000 27.643  0 152 SER   AAA OG  1 ? 
ATOM   985  N  N   . ASP   A 1 139 ? -17.484 -38.684 -11.643 1.000 27.922  0 153 ASP   AAA N   1 ? 
ATOM   986  C  CA  . ASP   A 1 139 ? -16.195 -39.350 -11.738 1.000 27.977  0 153 ASP   AAA CA  1 ? 
ATOM   987  C  C   . ASP   A 1 139 ? -15.225 -38.492 -12.553 1.000 27.022  0 153 ASP   AAA C   1 ? 
ATOM   988  O  O   . ASP   A 1 139 ? -14.022 -38.608 -12.360 1.000 25.829  0 153 ASP   AAA O   1 ? 
ATOM   989  C  CB  . ASP   A 1 139 ? -16.304 -40.683 -12.480 1.000 32.333  0 153 ASP   AAA CB  1 ? 
ATOM   990  C  CG  . ASP   A 1 139 ? -17.021 -41.797 -11.731 1.000 37.252  0 153 ASP   AAA CG  1 ? 
ATOM   991  O  OD1 . ASP   A 1 139 ? -17.278 -41.664 -10.470 1.000 39.399  0 153 ASP   AAA OD1 1 ? 
ATOM   992  O  OD2 . ASP   A 1 139 ? -17.318 -42.769 -12.429 1.000 37.226  0 153 ASP   AAA OD2 1 ? 
ATOM   993  N  N   . THR   A 1 140 ? -15.752 -37.620 -13.430 1.000 25.966  0 154 THR   AAA N   1 ? 
ATOM   994  C  CA  . THR   A 1 140 ? -14.900 -36.828 -14.311 1.000 26.608  0 154 THR   AAA CA  1 ? 
ATOM   995  C  C   . THR   A 1 140 ? -15.013 -35.324 -14.052 1.000 26.245  0 154 THR   AAA C   1 ? 
ATOM   996  O  O   . THR   A 1 140 ? -16.001 -34.853 -13.517 1.000 24.811  0 154 THR   AAA O   1 ? 
ATOM   997  C  CB  . THR   A 1 140 ? -15.211 -37.093 -15.783 1.000 27.711  0 154 THR   AAA CB  1 ? 
ATOM   998  O  OG1 . THR   A 1 140 ? -16.573 -36.794 -16.073 1.000 29.833  0 154 THR   AAA OG1 1 ? 
ATOM   999  C  CG2 . THR   A 1 140 ? -14.891 -38.512 -16.208 1.000 32.312  0 154 THR   AAA CG2 1 ? 
ATOM   1000 N  N   . LEU   A 1 141 ? -13.971 -34.578 -14.422 1.000 24.129  0 155 LEU   AAA N   1 ? 
ATOM   1001 C  CA  . LEU   A 1 141 ? -13.984 -33.139 -14.298 1.000 23.590  0 155 LEU   AAA CA  1 ? 
ATOM   1002 C  C   . LEU   A 1 141 ? -14.969 -32.569 -15.325 1.000 24.987  0 155 LEU   AAA C   1 ? 
ATOM   1003 O  O   . LEU   A 1 141 ? -14.892 -32.877 -16.520 1.000 26.808  0 155 LEU   AAA O   1 ? 
ATOM   1004 C  CB  . LEU   A 1 141 ? -12.578 -32.598 -14.536 1.000 24.456  0 155 LEU   AAA CB  1 ? 
ATOM   1005 C  CG  . LEU   A 1 141 ? -12.421 -31.100 -14.342 1.000 24.477  0 155 LEU   AAA CG  1 ? 
ATOM   1006 C  CD1 . LEU   A 1 141 ? -12.604 -30.717 -12.875 1.000 23.332  0 155 LEU   AAA CD1 1 ? 
ATOM   1007 C  CD2 . LEU   A 1 141 ? -11.063 -30.658 -14.791 1.000 27.016  0 155 LEU   AAA CD2 1 ? 
ATOM   1008 N  N   . GLN   A 1 142 ? -15.892 -31.767 -14.809 1.000 22.953  0 156 GLN   AAA N   1 ? 
ATOM   1009 C  CA  . GLN   A 1 142 ? -16.914 -31.074 -15.580 1.000 24.600  0 156 GLN   AAA CA  1 ? 
ATOM   1010 C  C   . GLN   A 1 142 ? -16.714 -29.575 -15.468 1.000 25.929  0 156 GLN   AAA C   1 ? 
ATOM   1011 O  O   . GLN   A 1 142 ? -16.167 -29.072 -14.469 1.000 23.469  0 156 GLN   AAA O   1 ? 
ATOM   1012 C  CB  . GLN   A 1 142 ? -18.300 -31.370 -15.004 1.000 26.174  0 156 GLN   AAA CB  1 ? 
ATOM   1013 C  CG  . GLN   A 1 142 ? -18.613 -32.851 -14.845 1.000 27.619  0 156 GLN   AAA CG  1 ? 
ATOM   1014 C  CD  . GLN   A 1 142 ? -19.207 -33.449 -16.083 1.000 32.878  0 156 GLN   AAA CD  1 ? 
ATOM   1015 O  OE1 . GLN   A 1 142 ? -18.699 -34.437 -16.619 1.000 39.113  0 156 GLN   AAA OE1 1 ? 
ATOM   1016 N  NE2 . GLN   A 1 142 ? -20.269 -32.837 -16.561 1.000 29.343  0 156 GLN   AAA NE2 1 ? 
ATOM   1017 N  N   . GLU   A 1 143 ? -17.188 -28.855 -16.483 1.000 24.832  0 157 GLU   AAA N   1 ? 
ATOM   1018 C  CA  . GLU   A 1 143 ? -17.086 -27.402 -16.471 1.000 25.793  0 157 GLU   AAA CA  1 ? 
ATOM   1019 C  C   . GLU   A 1 143 ? -18.386 -26.769 -16.962 1.000 26.601  0 157 GLU   AAA C   1 ? 
ATOM   1020 O  O   . GLU   A 1 143 ? -19.064 -27.322 -17.803 1.000 26.690  0 157 GLU   AAA O   1 ? 
ATOM   1021 C  CB  . GLU   A 1 143 ? -15.918 -26.900 -17.302 1.000 28.917  0 157 GLU   AAA CB  1 ? 
ATOM   1022 C  CG  . GLU   A 1 143 ? -15.685 -25.408 -17.090 1.000 32.133  0 157 GLU   AAA CG  1 ? 
ATOM   1023 C  CD  . GLU   A 1 143 ? -14.463 -24.917 -17.836 1.000 35.604  0 157 GLU   AAA CD  1 ? 
ATOM   1024 O  OE1 . GLU   A 1 143 ? -13.372 -24.844 -17.209 1.000 35.094  0 157 GLU   AAA OE1 1 ? 
ATOM   1025 O  OE2 . GLU   A 1 143 ? -14.599 -24.691 -19.075 1.000 34.251  0 157 GLU   AAA OE2 1 ? 
ATOM   1026 N  N   . VAL   A 1 144 ? -18.747 -25.630 -16.356 1.000 26.956  0 158 VAL   AAA N   1 ? 
ATOM   1027 C  CA  . VAL   A 1 144 ? -19.953 -24.907 -16.737 1.000 25.816  0 158 VAL   AAA CA  1 ? 
ATOM   1028 C  C   . VAL   A 1 144 ? -19.620 -23.424 -16.875 1.000 27.632  0 158 VAL   AAA C   1 ? 
ATOM   1029 O  O   . VAL   A 1 144 ? -18.752 -22.900 -16.176 1.000 23.592  0 158 VAL   AAA O   1 ? 
ATOM   1030 C  CB  . VAL   A 1 144 ? -21.084 -25.180 -15.736 1.000 26.043  0 158 VAL   AAA CB  1 ? 
ATOM   1031 C  CG1 . VAL   A 1 144 ? -20.856 -24.526 -14.380 1.000 26.453  0 158 VAL   AAA CG1 1 ? 
ATOM   1032 C  CG2 . VAL   A 1 144 ? -22.438 -24.790 -16.286 1.000 30.464  0 158 VAL   AAA CG2 1 ? 
ATOM   1033 N  N   . LYS   A 1 145 ? -20.296 -22.748 -17.817 1.000 26.293  0 159 LYS   AAA N   1 ? 
ATOM   1034 C  CA  . LYS   A 1 145 ? -20.191 -21.313 -17.963 1.000 29.130  0 159 LYS   AAA CA  1 ? 
ATOM   1035 C  C   . LYS   A 1 145 ? -21.350 -20.659 -17.207 1.000 30.180  0 159 LYS   AAA C   1 ? 
ATOM   1036 O  O   . LYS   A 1 145 ? -22.492 -21.076 -17.387 1.000 28.953  0 159 LYS   AAA O   1 ? 
ATOM   1037 C  CB  . LYS   A 1 145 ? -20.260 -20.904 -19.450 1.000 36.802  0 159 LYS   AAA CB  1 ? 
ATOM   1038 C  CG  . LYS   A 1 145 ? -19.314 -21.656 -20.383 1.000 48.714  0 159 LYS   AAA CG  1 ? 
ATOM   1039 C  CD  . LYS   A 1 145 ? -19.537 -21.428 -21.888 1.000 61.342  0 159 LYS   AAA CD  1 ? 
ATOM   1040 C  CE  . LYS   A 1 145 ? -20.603 -22.306 -22.530 1.000 72.893  0 159 LYS   AAA CE  1 ? 
ATOM   1041 N  NZ  . LYS   A 1 145 ? -21.958 -21.690 -22.525 1.000 78.902  0 159 LYS   AAA NZ  1 ? 
ATOM   1042 N  N   . LEU   A 1 146 ? -21.027 -19.688 -16.332 1.000 28.548  0 160 LEU   AAA N   1 ? 
ATOM   1043 C  CA  . LEU   A 1 146 ? -21.997 -18.992 -15.491 1.000 26.540  0 160 LEU   AAA CA  1 ? 
ATOM   1044 C  C   . LEU   A 1 146 ? -21.869 -17.477 -15.678 1.000 28.569  0 160 LEU   AAA C   1 ? 
ATOM   1045 O  O   . LEU   A 1 146 ? -20.778 -16.947 -15.863 1.000 27.114  0 160 LEU   AAA O   1 ? 
ATOM   1046 C  CB  . LEU   A 1 146 ? -21.767 -19.331 -14.012 1.000 25.390  0 160 LEU   AAA CB  1 ? 
ATOM   1047 C  CG  . LEU   A 1 146 ? -21.834 -20.813 -13.644 1.000 25.482  0 160 LEU   AAA CG  1 ? 
ATOM   1048 C  CD1 . LEU   A 1 146 ? -21.425 -21.059 -12.182 1.000 26.814  0 160 LEU   AAA CD1 1 ? 
ATOM   1049 C  CD2 . LEU   A 1 146 ? -23.222 -21.371 -13.958 1.000 25.327  0 160 LEU   AAA CD2 1 ? 
ATOM   1050 N  N   . ARG   A 1 147 ? -22.996 -16.772 -15.480 1.000 27.598  0 161 ARG   AAA N   1 ? 
ATOM   1051 C  CA  . ARG   A 1 147 ? -23.056 -15.332 -15.574 1.000 26.543  0 161 ARG   AAA CA  1 ? 
ATOM   1052 C  C   . ARG   A 1 147 ? -22.721 -14.695 -14.231 1.000 25.069  0 161 ARG   AAA C   1 ? 
ATOM   1053 O  O   . ARG   A 1 147 ? -23.347 -14.999 -13.229 1.000 25.856  0 161 ARG   AAA O   1 ? 
ATOM   1054 C  CB  . ARG   A 1 147 ? -24.454 -14.926 -16.043 1.000 29.238  0 161 ARG   AAA CB  1 ? 
ATOM   1055 C  CG  . ARG   A 1 147 ? -24.607 -13.449 -16.406 1.000 33.007  0 161 ARG   AAA CG  1 ? 
ATOM   1056 C  CD  . ARG   A 1 147 ? -26.056 -13.194 -16.827 1.000 37.473  0 161 ARG   AAA CD  1 ? 
ATOM   1057 N  NE  . ARG   A 1 147 ? -26.552 -11.838 -16.649 1.000 48.095  0 161 ARG   AAA NE  1 ? 
ATOM   1058 C  CZ  . ARG   A 1 147 ? -26.153 -10.790 -17.335 1.000 57.152  0 161 ARG   AAA CZ  1 ? 
ATOM   1059 N  NH1 . ARG   A 1 147 ? -25.322 -10.953 -18.351 1.000 70.466  0 161 ARG   AAA NH1 1 ? 
ATOM   1060 N  NH2 . ARG   A 1 147 ? -26.617 -9.586  -17.033 1.000 50.306  0 161 ARG   AAA NH2 1 ? 
ATOM   1061 N  N   . LEU   A 1 148 ? -21.796 -13.725 -14.248 1.000 23.616  0 162 LEU   AAA N   1 ? 
ATOM   1062 C  CA  . LEU   A 1 148 ? -21.554 -12.872 -13.093 1.000 27.109  0 162 LEU   AAA CA  1 ? 
ATOM   1063 C  C   . LEU   A 1 148 ? -22.708 -11.874 -12.954 1.000 29.443  0 162 LEU   AAA C   1 ? 
ATOM   1064 O  O   . LEU   A 1 148 ? -23.092 -11.209 -13.935 1.000 28.769  0 162 LEU   AAA O   1 ? 
ATOM   1065 C  CB  . LEU   A 1 148 ? -20.228 -12.174 -13.362 1.000 31.064  0 162 LEU   AAA CB  1 ? 
ATOM   1066 C  CG  . LEU   A 1 148 ? -19.544 -11.466 -12.211 1.000 35.778  0 162 LEU   AAA CG  1 ? 
ATOM   1067 C  CD1 . LEU   A 1 148 ? -19.448 -12.377 -10.993 1.000 35.307  0 162 LEU   AAA CD1 1 ? 
ATOM   1068 C  CD2 . LEU   A 1 148 ? -18.148 -11.074 -12.674 1.000 37.791  0 162 LEU   AAA CD2 1 ? 
ATOM   1069 N  N   . MET   A 1 149 ? -23.316 -11.854 -11.763 1.000 25.929  0 163 MET   AAA N   1 ? 
ATOM   1070 C  CA  . MET   A 1 149 ? -24.550 -11.126 -11.537 1.000 25.358  0 163 MET   AAA CA  1 ? 
ATOM   1071 C  C   . MET   A 1 149 ? -24.266 -9.899  -10.666 1.000 27.006  0 163 MET   AAA C   1 ? 
ATOM   1072 O  O   . MET   A 1 149 ? -23.314 -9.851  -9.876  1.000 26.522  0 163 MET   AAA O   1 ? 
ATOM   1073 C  CB  . MET   A 1 149 ? -25.575 -11.988 -10.788 1.000 24.998  0 163 MET   AAA CB  1 ? 
ATOM   1074 C  CG  . MET   A 1 149 ? -25.847 -13.327 -11.419 1.000 25.540  0 163 MET   AAA CG  1 ? 
ATOM   1075 S  SD  . MET   A 1 149 ? -26.711 -13.199 -12.958 1.000 30.738  0 163 MET   AAA SD  1 ? 
ATOM   1076 C  CE  . MET   A 1 149 ? -28.248 -12.487 -12.371 1.000 30.004  0 163 MET   AAA CE  1 ? 
ATOM   1077 N  N   . ASP   A 1 150 ? -25.131 -8.891  -10.810 1.000 25.750  0 164 ASP   AAA N   1 ? 
ATOM   1078 C  CA  . ASP   A 1 150 ? -25.149 -7.774  -9.893  1.000 26.674  0 164 ASP   AAA CA  1 ? 
ATOM   1079 C  C   . ASP   A 1 150 ? -25.409 -8.265  -8.480  1.000 25.937  0 164 ASP   AAA C   1 ? 
ATOM   1080 O  O   . ASP   A 1 150 ? -26.111 -9.260  -8.294  1.000 25.598  0 164 ASP   AAA O   1 ? 
ATOM   1081 C  CB  . ASP   A 1 150 ? -26.236 -6.763  -10.256 1.000 27.590  0 164 ASP   AAA CB  1 ? 
ATOM   1082 C  CG  . ASP   A 1 150 ? -25.990 -6.114  -11.608 1.000 36.491  0 164 ASP   AAA CG  1 ? 
ATOM   1083 O  OD1 . ASP   A 1 150 ? -24.890 -5.616  -11.814 1.000 39.436  0 164 ASP   AAA OD1 1 ? 
ATOM   1084 O  OD2 . ASP   A 1 150 ? -26.888 -6.152  -12.439 1.000 42.602  0 164 ASP   AAA OD2 1 ? 
ATOM   1085 N  N   . PRO   A 1 151 ? -24.863 -7.612  -7.430  1.000 25.829  0 165 PRO   AAA N   1 ? 
ATOM   1086 C  CA  . PRO   A 1 151 ? -24.958 -8.183  -6.085  1.000 25.066  0 165 PRO   AAA CA  1 ? 
ATOM   1087 C  C   . PRO   A 1 151 ? -26.394 -8.315  -5.584  1.000 24.885  0 165 PRO   AAA C   1 ? 
ATOM   1088 O  O   . PRO   A 1 151 ? -26.687 -9.188  -4.744  1.000 22.613  0 165 PRO   AAA O   1 ? 
ATOM   1089 C  CB  . PRO   A 1 151 ? -24.151 -7.199  -5.220  1.000 26.037  0 165 PRO   AAA CB  1 ? 
ATOM   1090 C  CG  . PRO   A 1 151 ? -24.057 -5.938  -6.021  1.000 27.232  0 165 PRO   AAA CG  1 ? 
ATOM   1091 C  CD  . PRO   A 1 151 ? -24.060 -6.379  -7.473  1.000 29.277  0 165 PRO   AAA CD  1 ? 
ATOM   1092 N  N   . GLN   A 1 152 ? -27.299 -7.483  -6.119  1.000 23.071  0 166 GLN   AAA N   1 ? 
ATOM   1093 C  CA  . GLN   A 1 152 ? -28.710 -7.568  -5.715  1.000 26.569  0 166 GLN   AAA CA  1 ? 
ATOM   1094 C  C   . GLN   A 1 152 ? -29.303 -8.947  -5.973  1.000 23.029  0 166 GLN   AAA C   1 ? 
ATOM   1095 O  O   . GLN   A 1 152 ? -30.185 -9.382  -5.237  1.000 24.063  0 166 GLN   AAA O   1 ? 
ATOM   1096 C  CB  . GLN   A 1 152 ? -29.650 -6.640  -6.489  1.000 31.135  0 166 GLN   AAA CB  1 ? 
ATOM   1097 C  CG  . GLN   A 1 152 ? -29.244 -5.204  -6.443  1.000 43.603  0 166 GLN   AAA CG  1 ? 
ATOM   1098 C  CD  . GLN   A 1 152 ? -28.469 -4.926  -7.701  1.000 41.510  0 166 GLN   AAA CD  1 ? 
ATOM   1099 O  OE1 . GLN   A 1 152 ? -27.281 -5.141  -7.728  1.000 34.001  0 166 GLN   AAA OE1 1 ? 
ATOM   1100 N  NE2 . GLN   A 1 152 ? -29.130 -4.366  -8.707  1.000 43.887  0 166 GLN   AAA NE2 1 ? 
ATOM   1101 N  N   . ALA   A 1 153 ? -28.759 -9.677  -6.950  1.000 22.853  0 167 ALA   AAA N   1 ? 
ATOM   1102 C  CA  . ALA   A 1 153 ? -29.236 -11.015 -7.288  1.000 23.655  0 167 ALA   AAA CA  1 ? 
ATOM   1103 C  C   . ALA   A 1 153 ? -28.964 -12.009 -6.157  1.000 21.571  0 167 ALA   AAA C   1 ? 
ATOM   1104 O  O   . ALA   A 1 153 ? -29.597 -13.072 -6.119  1.000 22.834  0 167 ALA   AAA O   1 ? 
ATOM   1105 C  CB  . ALA   A 1 153 ? -28.603 -11.489 -8.590  1.000 24.495  0 167 ALA   AAA CB  1 ? 
ATOM   1106 N  N   . CYS   A 1 154 ? -28.057 -11.660 -5.211  1.000 21.568  0 168 CYS   AAA N   1 ? 
ATOM   1107 C  CA  . CYS   A 1 154 ? -27.695 -12.546 -4.105  1.000 21.205  0 168 CYS   AAA CA  1 ? 
ATOM   1108 C  C   . CYS   A 1 154 ? -28.204 -12.023 -2.743  1.000 22.705  0 168 CYS   AAA C   1 ? 
ATOM   1109 O  O   . CYS   A 1 154 ? -27.730 -12.484 -1.702  1.000 20.600  0 168 CYS   AAA O   1 ? 
ATOM   1110 C  CB  . CYS   A 1 154 ? -26.177 -12.766 -4.008  1.000 20.202  0 168 CYS   AAA CB  1 ? 
ATOM   1111 S  SG  . CYS   A 1 154 ? -25.568 -13.999 -5.191  1.000 23.132  0 168 CYS   AAA SG  1 ? 
ATOM   1112 N  N   . SER   A 1 155 ? -29.126 -11.044 -2.734  1.000 23.090  0 169 SER   AAA N   1 ? 
ATOM   1113 C  CA  . SER   A 1 155 ? -29.577 -10.401 -1.498  1.000 23.313  0 169 SER   AAA CA  1 ? 
ATOM   1114 C  C   . SER   A 1 155 ? -30.187 -11.382 -0.505  1.000 23.800  0 169 SER   AAA C   1 ? 
ATOM   1115 O  O   . SER   A 1 155 ? -30.040 -11.232 0.717   1.000 21.863  0 169 SER   AAA O   1 ? 
ATOM   1116 C  CB  . SER   A 1 155 ? -30.559 -9.269  -1.822  1.000 24.084  0 169 SER   AAA CB  1 ? 
ATOM   1117 O  OG  . SER   A 1 155 ? -30.955 -8.588  -0.645  1.000 25.353  0 169 SER   AAA OG  1 ? 
ATOM   1118 N  N   . HIS   A 1 156 ? -30.825 -12.431 -1.044  1.000 23.398  0 172 HIS   AAA N   1 ? 
ATOM   1119 C  CA  . HIS   A 1 156 ? -31.529 -13.422 -0.234  1.000 22.476  0 172 HIS   AAA CA  1 ? 
ATOM   1120 C  C   . HIS   A 1 156 ? -30.565 -14.239 0.624   1.000 24.821  0 172 HIS   AAA C   1 ? 
ATOM   1121 O  O   . HIS   A 1 156 ? -30.970 -14.850 1.630   1.000 24.269  0 172 HIS   AAA O   1 ? 
ATOM   1122 C  CB  . HIS   A 1 156 ? -32.394 -14.314 -1.111  1.000 23.971  0 172 HIS   AAA CB  1 ? 
ATOM   1123 C  CG  . HIS   A 1 156 ? -31.654 -15.035 -2.222  1.000 21.779  0 172 HIS   AAA CG  1 ? 
ATOM   1124 N  ND1 . HIS   A 1 156 ? -31.218 -14.351 -3.342  1.000 22.484  0 172 HIS   AAA ND1 1 ? 
ATOM   1125 C  CD2 . HIS   A 1 156 ? -31.345 -16.321 -2.407  1.000 23.555  0 172 HIS   AAA CD2 1 ? 
ATOM   1126 C  CE1 . HIS   A 1 156 ? -30.673 -15.227 -4.164  1.000 21.761  0 172 HIS   AAA CE1 1 ? 
ATOM   1127 N  NE2 . HIS   A 1 156 ? -30.736 -16.446 -3.601  1.000 22.421  0 172 HIS   AAA NE2 1 ? 
ATOM   1128 N  N   . PHE   A 1 157 ? -29.284 -14.261 0.227   1.000 21.566  0 173 PHE   AAA N   1 ? 
ATOM   1129 C  CA  . PHE   A 1 157 ? -28.215 -14.733 1.085   1.000 21.726  0 173 PHE   AAA CA  1 ? 
ATOM   1130 C  C   . PHE   A 1 157 ? -27.902 -13.604 2.058   1.000 23.558  0 173 PHE   AAA C   1 ? 
ATOM   1131 O  O   . PHE   A 1 157 ? -27.229 -12.635 1.711   1.000 22.884  0 173 PHE   AAA O   1 ? 
ATOM   1132 C  CB  . PHE   A 1 157 ? -26.999 -15.152 0.255   1.000 21.713  0 173 PHE   AAA CB  1 ? 
ATOM   1133 C  CG  . PHE   A 1 157 ? -27.232 -16.266 -0.731  1.000 20.529  0 173 PHE   AAA CG  1 ? 
ATOM   1134 C  CD1 . PHE   A 1 157 ? -27.591 -17.531 -0.309  1.000 24.019  0 173 PHE   AAA CD1 1 ? 
ATOM   1135 C  CD2 . PHE   A 1 157 ? -27.108 -16.070 -2.091  1.000 20.113  0 173 PHE   AAA CD2 1 ? 
ATOM   1136 C  CE1 . PHE   A 1 157 ? -27.772 -18.577 -1.205  1.000 22.440  0 173 PHE   AAA CE1 1 ? 
ATOM   1137 C  CE2 . PHE   A 1 157 ? -27.298 -17.116 -3.007  1.000 21.534  0 173 PHE   AAA CE2 1 ? 
ATOM   1138 C  CZ  . PHE   A 1 157 ? -27.632 -18.378 -2.547  1.000 22.863  0 173 PHE   AAA CZ  1 ? 
ATOM   1139 N  N   . ARG   A 1 158 ? -28.451 -13.673 3.268   1.000 23.658  0 174 ARG   AAA N   1 ? 
ATOM   1140 C  CA  . ARG   A 1 158 ? -28.466 -12.485 4.110   1.000 27.824  0 174 ARG   AAA CA  1 ? 
ATOM   1141 C  C   . ARG   A 1 158 ? -27.068 -12.026 4.548   1.000 25.850  0 174 ARG   AAA C   1 ? 
ATOM   1142 O  O   . ARG   A 1 158 ? -26.883 -10.840 4.857   1.000 26.745  0 174 ARG   AAA O   1 ? 
ATOM   1143 C  CB  . ARG   A 1 158 ? -29.321 -12.768 5.340   1.000 30.967  0 174 ARG   AAA CB  1 ? 
ATOM   1144 C  CG  . ARG   A 1 158 ? -30.802 -12.729 5.030   1.000 36.575  0 174 ARG   AAA CG  1 ? 
ATOM   1145 C  CD  . ARG   A 1 158 ? -31.183 -11.245 5.115   1.000 48.182  0 174 ARG   AAA CD  1 ? 
ATOM   1146 N  NE  . ARG   A 1 158 ? -31.870 -11.093 3.889   1.000 39.065  0 174 ARG   AAA NE  1 ? 
ATOM   1147 C  CZ  . ARG   A 1 158 ? -32.332 -10.008 3.324   1.000 37.294  0 174 ARG   AAA CZ  1 ? 
ATOM   1148 N  NH1 . ARG   A 1 158 ? -32.049 -8.776  3.751   1.000 31.164  0 174 ARG   AAA NH1 1 ? 
ATOM   1149 N  NH2 . ARG   A 1 158 ? -33.080 -10.230 2.248   1.000 34.996  0 174 ARG   AAA NH2 1 ? 
ATOM   1150 N  N   . ASP   A 1 159 ? -26.099 -12.937 4.549   1.000 24.853  0 175 ASP   AAA N   1 ? 
ATOM   1151 C  CA  . ASP   A 1 159 ? -24.734 -12.579 4.935   1.000 24.985  0 175 ASP   AAA CA  1 ? 
ATOM   1152 C  C   . ASP   A 1 159 ? -23.823 -12.394 3.726   1.000 22.600  0 175 ASP   AAA C   1 ? 
ATOM   1153 O  O   . ASP   A 1 159 ? -22.624 -12.236 3.895   1.000 24.256  0 175 ASP   AAA O   1 ? 
ATOM   1154 C  CB  . ASP   A 1 159 ? -24.162 -13.588 5.912   1.000 26.774  0 175 ASP   AAA CB  1 ? 
ATOM   1155 C  CG  . ASP   A 1 159 ? -24.934 -13.565 7.226   1.000 30.480  0 175 ASP   AAA CG  1 ? 
ATOM   1156 O  OD1 . ASP   A 1 159 ? -25.079 -12.492 7.782   1.000 30.172  0 175 ASP   AAA OD1 1 ? 
ATOM   1157 O  OD2 . ASP   A 1 159 ? -25.378 -14.629 7.654   1.000 34.373  0 175 ASP   AAA OD2 1 ? 
ATOM   1158 N  N   . PHE   A 1 160 ? -24.391 -12.360 2.515   1.000 23.382  0 176 PHE   AAA N   1 ? 
ATOM   1159 C  CA  . PHE   A 1 160 ? -23.609 -12.017 1.329   1.000 23.663  0 176 PHE   AAA CA  1 ? 
ATOM   1160 C  C   . PHE   A 1 160 ? -23.102 -10.587 1.445   1.000 25.882  0 176 PHE   AAA C   1 ? 
ATOM   1161 O  O   . PHE   A 1 160 ? -23.827 -9.711  1.923   1.000 24.437  0 176 PHE   AAA O   1 ? 
ATOM   1162 C  CB  . PHE   A 1 160 ? -24.464 -12.196 0.077   1.000 23.113  0 176 PHE   AAA CB  1 ? 
ATOM   1163 C  CG  . PHE   A 1 160 ? -23.856 -11.668 -1.186  1.000 23.229  0 176 PHE   AAA CG  1 ? 
ATOM   1164 C  CD1 . PHE   A 1 160 ? -22.972 -12.434 -1.928  1.000 24.950  0 176 PHE   AAA CD1 1 ? 
ATOM   1165 C  CD2 . PHE   A 1 160 ? -24.185 -10.416 -1.666  1.000 23.371  0 176 PHE   AAA CD2 1 ? 
ATOM   1166 C  CE1 . PHE   A 1 160 ? -22.410 -11.929 -3.087  1.000 24.137  0 176 PHE   AAA CE1 1 ? 
ATOM   1167 C  CE2 . PHE   A 1 160 ? -23.589 -9.913  -2.816  1.000 24.524  0 176 PHE   AAA CE2 1 ? 
ATOM   1168 C  CZ  . PHE   A 1 160 ? -22.696 -10.660 -3.510  1.000 24.937  0 176 PHE   AAA CZ  1 ? 
ATOM   1169 N  N   . ASP   A 1 161 ? -21.865 -10.334 0.991   1.000 24.074  0 177 ASP   AAA N   1 ? 
ATOM   1170 C  CA  . ASP   A 1 161 ? -21.302 -8.987  0.983   1.000 26.508  0 177 ASP   AAA CA  1 ? 
ATOM   1171 C  C   . ASP   A 1 161 ? -20.588 -8.788  -0.352  1.000 26.006  0 177 ASP   AAA C   1 ? 
ATOM   1172 O  O   . ASP   A 1 161 ? -19.622 -9.511  -0.647  1.000 25.848  0 177 ASP   AAA O   1 ? 
ATOM   1173 C  CB  . ASP   A 1 161 ? -20.370 -8.818  2.183   1.000 28.696  0 177 ASP   AAA CB  1 ? 
ATOM   1174 C  CG  . ASP   A 1 161 ? -19.580 -7.533  2.327   1.000 34.280  0 177 ASP   AAA CG  1 ? 
ATOM   1175 O  OD1 . ASP   A 1 161 ? -19.317 -6.829  1.323   1.000 28.709  0 177 ASP   AAA OD1 1 ? 
ATOM   1176 O  OD2 . ASP   A 1 161 ? -19.213 -7.254  3.493   1.000 39.797  0 177 ASP   AAA OD2 1 ? 
ATOM   1177 N  N   . HIS   A 1 162 A -20.989 -7.756  -1.093  1.000 24.319  0 177 HIS   AAA N   1 ? 
ATOM   1178 C  CA  . HIS   A 1 162 A -20.489 -7.522  -2.444  1.000 24.632  0 177 HIS   AAA CA  1 ? 
ATOM   1179 C  C   . HIS   A 1 162 A -18.982 -7.251  -2.442  1.000 27.524  0 177 HIS   AAA C   1 ? 
ATOM   1180 O  O   . HIS   A 1 162 A -18.327 -7.504  -3.451  1.000 26.872  0 177 HIS   AAA O   1 ? 
ATOM   1181 C  CB  . HIS   A 1 162 A -21.223 -6.313  -3.037  1.000 26.958  0 177 HIS   AAA CB  1 ? 
ATOM   1182 C  CG  . HIS   A 1 162 A -20.786 -5.838  -4.392  1.000 27.619  0 177 HIS   AAA CG  1 ? 
ATOM   1183 N  ND1 . HIS   A 1 162 A -20.760 -6.623  -5.518  1.000 28.169  0 177 HIS   AAA ND1 1 ? 
ATOM   1184 C  CD2 . HIS   A 1 162 A -20.417 -4.588  -4.799  1.000 34.404  0 177 HIS   AAA CD2 1 ? 
ATOM   1185 C  CE1 . HIS   A 1 162 A -20.359 -5.893  -6.558  1.000 30.706  0 177 HIS   AAA CE1 1 ? 
ATOM   1186 N  NE2 . HIS   A 1 162 A -20.181 -4.635  -6.158  1.000 29.364  0 177 HIS   AAA NE2 1 ? 
ATOM   1187 N  N   . ASN   A 1 163 ? -18.466 -6.628  -1.375  1.000 26.774  0 178 ASN   AAA N   1 ? 
ATOM   1188 C  CA  . ASN   A 1 163 ? -17.027 -6.340  -1.319  1.000 31.525  0 178 ASN   AAA CA  1 ? 
ATOM   1189 C  C   . ASN   A 1 163 ? -16.205 -7.629  -1.167  1.000 28.827  0 178 ASN   AAA C   1 ? 
ATOM   1190 O  O   . ASN   A 1 163 ? -15.052 -7.671  -1.627  1.000 29.404  0 178 ASN   AAA O   1 ? 
ATOM   1191 C  CB  . ASN   A 1 163 ? -16.602 -5.469  -0.140  1.000 35.973  0 178 ASN   AAA CB  1 ? 
ATOM   1192 C  CG  . ASN   A 1 163 ? -17.373 -4.174  -0.037  1.000 45.050  0 178 ASN   AAA CG  1 ? 
ATOM   1193 O  OD1 . ASN   A 1 163 ? -17.745 -3.763  1.070   1.000 53.533  0 178 ASN   AAA OD1 1 ? 
ATOM   1194 N  ND2 . ASN   A 1 163 ? -17.585 -3.528  -1.172  1.000 46.890  0 178 ASN   AAA ND2 1 ? 
ATOM   1195 N  N   . LEU   A 1 164 ? -16.785 -8.652  -0.513  1.000 24.366  0 179 LEU   AAA N   1 ? 
ATOM   1196 C  CA  . LEU   A 1 164 ? -16.039 -9.860  -0.187  1.000 27.624  0 179 LEU   AAA CA  1 ? 
ATOM   1197 C  C   . LEU   A 1 164 ? -16.271 -10.986 -1.186  1.000 24.903  0 179 LEU   AAA C   1 ? 
ATOM   1198 O  O   . LEU   A 1 164 ? -15.482 -11.942 -1.220  1.000 24.387  0 179 LEU   AAA O   1 ? 
ATOM   1199 C  CB  . LEU   A 1 164 ? -16.481 -10.374 1.177   1.000 27.832  0 179 LEU   AAA CB  1 ? 
ATOM   1200 C  CG  . LEU   A 1 164 ? -16.364 -9.383  2.332   1.000 30.314  0 179 LEU   AAA CG  1 ? 
ATOM   1201 C  CD1 . LEU   A 1 164 ? -16.822 -10.019 3.629   1.000 34.191  0 179 LEU   AAA CD1 1 ? 
ATOM   1202 C  CD2 . LEU   A 1 164 ? -14.943 -8.918  2.443   1.000 30.985  0 179 LEU   AAA CD2 1 ? 
ATOM   1203 N  N   . GLN   A 1 165 ? -17.397 -10.917 -1.912  1.000 23.387  0 180 GLN   AAA N   1 ? 
ATOM   1204 C  CA  . GLN   A 1 165 ? -17.918 -12.063 -2.635  1.000 23.579  0 180 GLN   AAA CA  1 ? 
ATOM   1205 C  C   . GLN   A 1 165 ? -18.498 -11.670 -3.998  1.000 23.195  0 180 GLN   AAA C   1 ? 
ATOM   1206 O  O   . GLN   A 1 165 ? -18.930 -10.531 -4.236  1.000 25.335  0 180 GLN   AAA O   1 ? 
ATOM   1207 C  CB  . GLN   A 1 165 ? -19.017 -12.753 -1.816  1.000 25.166  0 180 GLN   AAA CB  1 ? 
ATOM   1208 C  CG  . GLN   A 1 165 ? -18.542 -13.346 -0.505  1.000 23.613  0 180 GLN   AAA CG  1 ? 
ATOM   1209 C  CD  . GLN   A 1 165 ? -19.602 -13.506 0.552   1.000 24.553  0 180 GLN   AAA CD  1 ? 
ATOM   1210 O  OE1 . GLN   A 1 165 ? -20.467 -12.654 0.714   1.000 25.774  0 180 GLN   AAA OE1 1 ? 
ATOM   1211 N  NE2 . GLN   A 1 165 ? -19.542 -14.615 1.261   1.000 22.874  0 180 GLN   AAA NE2 1 ? 
ATOM   1212 N  N   . LEU   A 1 166 ? -18.513 -12.675 -4.890  1.000 21.932  0 181 LEU   AAA N   1 ? 
ATOM   1213 C  CA  . LEU   A 1 166 ? -19.158 -12.593 -6.180  1.000 22.568  0 181 LEU   AAA CA  1 ? 
ATOM   1214 C  C   . LEU   A 1 166 ? -20.473 -13.343 -6.149  1.000 23.271  0 181 LEU   AAA C   1 ? 
ATOM   1215 O  O   . LEU   A 1 166 ? -20.618 -14.358 -5.461  1.000 23.708  0 181 LEU   AAA O   1 ? 
ATOM   1216 C  CB  . LEU   A 1 166 ? -18.281 -13.215 -7.264  1.000 23.840  0 181 LEU   AAA CB  1 ? 
ATOM   1217 C  CG  . LEU   A 1 166 ? -16.835 -12.741 -7.316  1.000 27.843  0 181 LEU   AAA CG  1 ? 
ATOM   1218 C  CD1 . LEU   A 1 166 ? -16.025 -13.605 -8.291  1.000 31.091  0 181 LEU   AAA CD1 1 ? 
ATOM   1219 C  CD2 . LEU   A 1 166 ? -16.787 -11.287 -7.670  1.000 32.283  0 181 LEU   AAA CD2 1 ? 
ATOM   1220 N  N   . CYS   A 1 167 ? -21.396 -12.845 -6.984  1.000 22.334  0 182 CYS   AAA N   1 ? 
ATOM   1221 C  CA  . CYS   A 1 167 ? -22.727 -13.421 -7.143  1.000 23.179  0 182 CYS   AAA CA  1 ? 
ATOM   1222 C  C   . CYS   A 1 167 ? -22.817 -14.031 -8.526  1.000 22.292  0 182 CYS   AAA C   1 ? 
ATOM   1223 O  O   . CYS   A 1 167 ? -22.678 -13.311 -9.505  1.000 23.848  0 182 CYS   AAA O   1 ? 
ATOM   1224 C  CB  . CYS   A 1 167 ? -23.809 -12.365 -6.952  1.000 24.148  0 182 CYS   AAA CB  1 ? 
ATOM   1225 S  SG  . CYS   A 1 167 ? -25.496 -13.028 -6.969  1.000 23.303  0 182 CYS   AAA SG  1 ? 
ATOM   1226 N  N   . VAL   A 1 168 ? -22.993 -15.362 -8.604  1.000 21.126  0 183 VAL   AAA N   1 ? 
ATOM   1227 C  CA  . VAL   A 1 168 ? -22.654 -16.087 -9.823  1.000 22.347  0 183 VAL   AAA CA  1 ? 
ATOM   1228 C  C   . VAL   A 1 168 ? -23.766 -17.057 -10.216 1.000 23.758  0 183 VAL   AAA C   1 ? 
ATOM   1229 O  O   . VAL   A 1 168 ? -24.141 -17.965 -9.455  1.000 22.463  0 183 VAL   AAA O   1 ? 
ATOM   1230 C  CB  . VAL   A 1 168 ? -21.319 -16.827 -9.662  1.000 24.511  0 183 VAL   AAA CB  1 ? 
ATOM   1231 C  CG1 . VAL   A 1 168 ? -20.937 -17.554 -10.953 1.000 25.308  0 183 VAL   AAA CG1 1 ? 
ATOM   1232 C  CG2 . VAL   A 1 168 ? -20.184 -15.905 -9.174  1.000 25.190  0 183 VAL   AAA CG2 1 ? 
ATOM   1233 N  N   . GLY   A 1 169 ? -24.259 -16.888 -11.451 1.000 23.155  0 184 GLY   AAA N   1 ? 
ATOM   1234 C  CA  . GLY   A 1 169 ? -25.255 -17.786 -12.015 1.000 21.671  0 184 GLY   AAA CA  1 ? 
ATOM   1235 C  C   . GLY   A 1 169 ? -26.613 -17.134 -12.232 1.000 25.785  0 184 GLY   AAA C   1 ? 
ATOM   1236 O  O   . GLY   A 1 169 ? -27.226 -16.610 -11.300 1.000 27.027  0 184 GLY   AAA O   1 ? 
ATOM   1237 N  N   . ASN   A 1 170 ? -27.023 -17.121 -13.514 1.000 25.227  0 185 ASN   AAA N   1 ? 
ATOM   1238 C  CA  . ASN   A 1 170 ? -28.337 -16.629 -13.912 1.000 25.772  0 185 ASN   AAA CA  1 ? 
ATOM   1239 C  C   . ASN   A 1 170 ? -29.422 -17.489 -13.275 1.000 25.393  0 185 ASN   AAA C   1 ? 
ATOM   1240 O  O   . ASN   A 1 170 ? -29.449 -18.708 -13.457 1.000 28.467  0 185 ASN   AAA O   1 ? 
ATOM   1241 C  CB  . ASN   A 1 170 ? -28.458 -16.664 -15.441 1.000 27.677  0 185 ASN   AAA CB  1 ? 
ATOM   1242 C  CG  . ASN   A 1 170 ? -29.750 -16.076 -15.973 1.000 29.790  0 185 ASN   AAA CG  1 ? 
ATOM   1243 O  OD1 . ASN   A 1 170 ? -30.686 -15.797 -15.221 1.000 29.664  0 185 ASN   AAA OD1 1 ? 
ATOM   1244 N  ND2 . ASN   A 1 170 ? -29.793 -15.873 -17.280 1.000 33.570  0 185 ASN   AAA ND2 1 ? 
ATOM   1245 N  N   . PRO   A 1 171 A -30.354 -16.918 -12.470 1.000 28.409  0 185 PRO   AAA N   1 ? 
ATOM   1246 C  CA  . PRO   A 1 171 A -31.409 -17.737 -11.874 1.000 27.919  0 185 PRO   AAA CA  1 ? 
ATOM   1247 C  C   . PRO   A 1 171 A -32.391 -18.402 -12.841 1.000 31.878  0 185 PRO   AAA C   1 ? 
ATOM   1248 O  O   . PRO   A 1 171 A -33.059 -19.363 -12.473 1.000 33.691  0 185 PRO   AAA O   1 ? 
ATOM   1249 C  CB  . PRO   A 1 171 A -32.083 -16.746 -10.917 1.000 30.801  0 185 PRO   AAA CB  1 ? 
ATOM   1250 C  CG  . PRO   A 1 171 A -31.872 -15.417 -11.565 1.000 32.249  0 185 PRO   AAA CG  1 ? 
ATOM   1251 C  CD  . PRO   A 1 171 A -30.451 -15.491 -12.094 1.000 29.193  0 185 PRO   AAA CD  1 ? 
ATOM   1252 N  N   . ARG   A 1 172 B -32.406 -17.984 -14.122 1.000 33.351  0 185 ARG   AAA N   1 ? 
ATOM   1253 C  CA  . ARG   A 1 172 B -33.249 -18.609 -15.130 1.000 32.891  0 185 ARG   AAA CA  1 ? 
ATOM   1254 C  C   . ARG   A 1 172 B -32.607 -19.789 -15.838 1.000 35.873  0 185 ARG   AAA C   1 ? 
ATOM   1255 O  O   . ARG   A 1 172 B -33.215 -20.357 -16.754 1.000 38.318  0 185 ARG   AAA O   1 ? 
ATOM   1256 C  CB  . ARG   A 1 172 B -33.570 -17.593 -16.218 1.000 32.578  0 185 ARG   AAA CB  1 ? 
ATOM   1257 C  CG  . ARG   A 1 172 B -34.523 -16.539 -15.707 1.000 34.412  0 185 ARG   AAA CG  1 ? 
ATOM   1258 C  CD  . ARG   A 1 172 B -34.959 -15.625 -16.828 1.000 42.710  0 185 ARG   AAA CD  1 ? 
ATOM   1259 N  NE  . ARG   A 1 172 B -36.143 -16.079 -17.548 1.000 42.697  0 185 ARG   AAA NE  1 ? 
ATOM   1260 C  CZ  . ARG   A 1 172 B -36.212 -16.238 -18.860 1.000 42.884  0 185 ARG   AAA CZ  1 ? 
ATOM   1261 N  NH1 . ARG   A 1 172 B -35.129 -16.066 -19.594 1.000 53.693  0 185 ARG   AAA NH1 1 ? 
ATOM   1262 N  NH2 . ARG   A 1 172 B -37.335 -16.632 -19.443 1.000 36.089  0 185 ARG   AAA NH2 1 ? 
ATOM   1263 N  N   . LYS   A 1 173 ? -31.369 -20.126 -15.454 1.000 32.372  0 186 LYS   AAA N   1 ? 
ATOM   1264 C  CA  . LYS   A 1 173 ? -30.710 -21.315 -15.948 1.000 34.633  0 186 LYS   AAA CA  1 ? 
ATOM   1265 C  C   . LYS   A 1 173 ? -30.542 -22.255 -14.753 1.000 36.283  0 186 LYS   AAA C   1 ? 
ATOM   1266 O  O   . LYS   A 1 173 ? -30.575 -21.790 -13.615 1.000 37.681  0 186 LYS   AAA O   1 ? 
ATOM   1267 C  CB  . LYS   A 1 173 ? -29.377 -20.926 -16.590 1.000 34.988  0 186 LYS   AAA CB  1 ? 
ATOM   1268 C  CG  . LYS   A 1 173 ? -29.394 -19.802 -17.626 1.000 39.339  0 186 LYS   AAA CG  1 ? 
ATOM   1269 C  CD  . LYS   A 1 173 ? -30.090 -20.187 -18.879 1.000 44.921  0 186 LYS   AAA CD  1 ? 
ATOM   1270 C  CE  . LYS   A 1 173 ? -30.183 -19.068 -19.893 1.000 48.661  0 186 LYS   AAA CE  1 ? 
ATOM   1271 N  NZ  . LYS   A 1 173 ? -31.118 -19.428 -20.994 1.000 51.975  0 186 LYS   AAA NZ  1 ? 
ATOM   1272 N  N   . THR   A 1 174 ? -30.390 -23.562 -15.014 1.000 37.202  0 187 THR   AAA N   1 ? 
ATOM   1273 C  CA  . THR   A 1 174 ? -30.155 -24.543 -13.956 1.000 33.894  0 187 THR   AAA CA  1 ? 
ATOM   1274 C  C   . THR   A 1 174 ? -28.656 -24.682 -13.680 1.000 33.478  0 187 THR   AAA C   1 ? 
ATOM   1275 O  O   . THR   A 1 174 ? -28.255 -25.241 -12.656 1.000 37.431  0 187 THR   AAA O   1 ? 
ATOM   1276 C  CB  . THR   A 1 174 ? -30.839 -25.875 -14.319 1.000 38.436  0 187 THR   AAA CB  1 ? 
ATOM   1277 O  OG1 . THR   A 1 174 ? -30.418 -26.239 -15.620 1.000 42.123  0 187 THR   AAA OG1 1 ? 
ATOM   1278 C  CG2 . THR   A 1 174 ? -32.344 -25.764 -14.350 1.000 42.826  0 187 THR   AAA CG2 1 ? 
ATOM   1279 N  N   . LYS   A 1 175 ? -27.824 -24.189 -14.597 1.000 29.777  0 188 LYS   AAA N   1 ? 
ATOM   1280 C  CA  . LYS   A 1 175 ? -26.374 -24.306 -14.499 1.000 28.085  0 188 LYS   AAA CA  1 ? 
ATOM   1281 C  C   . LYS   A 1 175 ? -25.866 -23.762 -13.164 1.000 30.375  0 188 LYS   AAA C   1 ? 
ATOM   1282 O  O   . LYS   A 1 175 ? -26.232 -22.667 -12.790 1.000 27.714  0 188 LYS   AAA O   1 ? 
ATOM   1283 C  CB  . LYS   A 1 175 ? -25.755 -23.452 -15.594 1.000 31.470  0 188 LYS   AAA CB  1 ? 
ATOM   1284 C  CG  . LYS   A 1 175 ? -26.024 -23.953 -17.007 1.000 34.912  0 188 LYS   AAA CG  1 ? 
ATOM   1285 C  CD  . LYS   A 1 175 ? -25.190 -23.244 -18.057 1.000 40.123  0 188 LYS   AAA CD  1 ? 
ATOM   1286 C  CE  . LYS   A 1 175 ? -25.625 -21.818 -18.339 1.000 49.216  0 188 LYS   AAA CE  1 ? 
ATOM   1287 N  NZ  . LYS   A 1 175 ? -24.668 -21.081 -19.215 1.000 47.303  0 188 LYS   AAA NZ  1 ? 
ATOM   1288 N  N   . SER   A 1 176 ? -24.926 -24.472 -12.525 1.000 28.524  0 189 SER   AAA N   1 ? 
ATOM   1289 C  CA  . SER   A 1 176 ? -24.507 -24.126 -11.177 1.000 29.754  0 189 SER   AAA CA  1 ? 
ATOM   1290 C  C   . SER   A 1 176 ? -23.355 -25.024 -10.745 1.000 26.414  0 189 SER   AAA C   1 ? 
ATOM   1291 O  O   . SER   A 1 176 ? -23.275 -26.162 -11.158 1.000 27.511  0 189 SER   AAA O   1 ? 
ATOM   1292 C  CB  . SER   A 1 176 ? -25.646 -24.315 -10.216 1.000 32.651  0 189 SER   AAA CB  1 ? 
ATOM   1293 O  OG  . SER   A 1 176 ? -25.349 -23.663 -8.977  1.000 39.186  0 189 SER   AAA OG  1 ? 
ATOM   1294 N  N   . ALA   A 1 177 ? -22.488 -24.496 -9.885  1.000 26.930  0 190 ALA   AAA N   1 ? 
ATOM   1295 C  CA  . ALA   A 1 177 ? -21.642 -25.354 -9.087  1.000 25.479  0 190 ALA   AAA CA  1 ? 
ATOM   1296 C  C   . ALA   A 1 177 ? -22.507 -25.941 -7.971  1.000 25.550  0 190 ALA   AAA C   1 ? 
ATOM   1297 O  O   . ALA   A 1 177 ? -23.541 -25.385 -7.625  1.000 29.817  0 190 ALA   AAA O   1 ? 
ATOM   1298 C  CB  . ALA   A 1 177 ? -20.474 -24.553 -8.537  1.000 25.087  0 190 ALA   AAA CB  1 ? 
ATOM   1299 N  N   . PHE   A 1 178 ? -22.073 -27.041 -7.387  1.000 25.895  0 191 PHE   AAA N   1 ? 
ATOM   1300 C  CA  . PHE   A 1 178 ? -22.825 -27.652 -6.303  1.000 25.906  0 191 PHE   AAA CA  1 ? 
ATOM   1301 C  C   . PHE   A 1 178 ? -21.897 -28.423 -5.376  1.000 27.109  0 191 PHE   AAA C   1 ? 
ATOM   1302 O  O   . PHE   A 1 178 ? -20.675 -28.227 -5.369  1.000 27.377  0 191 PHE   AAA O   1 ? 
ATOM   1303 C  CB  . PHE   A 1 178 ? -23.949 -28.502 -6.912  1.000 26.758  0 191 PHE   AAA CB  1 ? 
ATOM   1304 C  CG  . PHE   A 1 178 ? -25.043 -28.855 -5.932  1.000 29.398  0 191 PHE   AAA CG  1 ? 
ATOM   1305 C  CD1 . PHE   A 1 178 ? -25.686 -27.873 -5.199  1.000 28.909  0 191 PHE   AAA CD1 1 ? 
ATOM   1306 C  CD2 . PHE   A 1 178 ? -25.415 -30.180 -5.736  1.000 32.449  0 191 PHE   AAA CD2 1 ? 
ATOM   1307 C  CE1 . PHE   A 1 178 ? -26.669 -28.191 -4.280  1.000 29.185  0 191 PHE   AAA CE1 1 ? 
ATOM   1308 C  CE2 . PHE   A 1 178 ? -26.403 -30.501 -4.816  1.000 34.520  0 191 PHE   AAA CE2 1 ? 
ATOM   1309 C  CZ  . PHE   A 1 178 ? -27.019 -29.511 -4.077  1.000 32.546  0 191 PHE   AAA CZ  1 ? 
ATOM   1310 N  N   . LYS   A 1 179 ? -22.489 -29.245 -4.508  1.000 26.464  0 192 LYS   AAA N   1 ? 
ATOM   1311 C  CA  . LYS   A 1 179 ? -21.738 -29.962 -3.502  1.000 26.501  0 192 LYS   AAA CA  1 ? 
ATOM   1312 C  C   . LYS   A 1 179 ? -20.591 -30.702 -4.169  1.000 28.753  0 192 LYS   AAA C   1 ? 
ATOM   1313 O  O   . LYS   A 1 179 ? -20.779 -31.426 -5.146  1.000 28.598  0 192 LYS   AAA O   1 ? 
ATOM   1314 C  CB  . LYS   A 1 179 ? -22.631 -30.977 -2.782  1.000 30.198  0 192 LYS   AAA CB  1 ? 
ATOM   1315 C  CG  . LYS   A 1 179 ? -23.764 -30.410 -1.953  1.000 34.965  0 192 LYS   AAA CG  1 ? 
ATOM   1316 C  CD  . LYS   A 1 179 ? -24.640 -31.525 -1.355  1.000 39.078  0 192 LYS   AAA CD  1 ? 
ATOM   1317 C  CE  . LYS   A 1 179 ? -25.815 -31.004 -0.551  1.000 41.210  0 192 LYS   AAA CE  1 ? 
ATOM   1318 N  NZ  . LYS   A 1 179 ? -25.373 -30.421 0.735   1.000 44.058  0 192 LYS   AAA NZ  1 ? 
ATOM   1319 N  N   . GLY   A 1 180 ? -19.417 -30.562 -3.560  1.000 25.806  0 193 GLY   AAA N   1 ? 
ATOM   1320 C  CA  . GLY   A 1 180 ? -18.212 -31.201 -4.027  1.000 27.524  0 193 GLY   AAA CA  1 ? 
ATOM   1321 C  C   . GLY   A 1 180 ? -17.390 -30.285 -4.939  1.000 23.421  0 193 GLY   AAA C   1 ? 
ATOM   1322 O  O   . GLY   A 1 180 ? -16.212 -30.584 -5.183  1.000 28.261  0 193 GLY   AAA O   1 ? 
ATOM   1323 N  N   . ASP   A 1 181 ? -17.968 -29.150 -5.354  1.000 25.490  0 194 ASP   AAA N   1 ? 
ATOM   1324 C  CA  . ASP   A 1 181 ? -17.265 -28.183 -6.199  1.000 23.595  0 194 ASP   AAA CA  1 ? 
ATOM   1325 C  C   . ASP   A 1 181 ? -16.628 -27.052 -5.385  1.000 22.153  0 194 ASP   AAA C   1 ? 
ATOM   1326 O  O   . ASP   A 1 181 ? -15.836 -26.314 -5.958  1.000 23.058  0 194 ASP   AAA O   1 ? 
ATOM   1327 C  CB  . ASP   A 1 181 ? -18.207 -27.561 -7.219  1.000 22.658  0 194 ASP   AAA CB  1 ? 
ATOM   1328 C  CG  . ASP   A 1 181 ? -18.755 -28.577 -8.213  1.000 26.906  0 194 ASP   AAA CG  1 ? 
ATOM   1329 O  OD1 . ASP   A 1 181 ? -17.945 -29.377 -8.716  1.000 25.711  0 194 ASP   AAA OD1 1 ? 
ATOM   1330 O  OD2 . ASP   A 1 181 ? -19.956 -28.498 -8.530  1.000 25.608  0 194 ASP   AAA OD2 1 ? 
ATOM   1331 N  N   . SER   A 1 182 ? -16.956 -26.948 -4.081  1.000 22.897  0 195 SER   AAA N   1 ? 
ATOM   1332 C  CA  . SER   A 1 182 ? -16.341 -26.030 -3.151  1.000 24.832  0 195 SER   AAA CA  1 ? 
ATOM   1333 C  C   . SER   A 1 182 ? -14.848 -25.961 -3.369  1.000 21.808  0 195 SER   AAA C   1 ? 
ATOM   1334 O  O   . SER   A 1 182 ? -14.202 -27.009 -3.530  1.000 21.247  0 195 SER   AAA O   1 ? 
ATOM   1335 C  CB  . SER   A 1 182 ? -16.520 -26.485 -1.705  1.000 32.133  0 195 SER   AAA CB  1 ? 
ATOM   1336 O  OG  . SER   A 1 182 ? -17.838 -26.713 -1.399  1.000 39.802  0 195 SER   AAA OG  1 ? 
ATOM   1337 N  N   . GLY   A 1 183 ? -14.289 -24.741 -3.311  1.000 21.618  0 196 GLY   AAA N   1 ? 
ATOM   1338 C  CA  . GLY   A 1 183 ? -12.853 -24.565 -3.384  1.000 20.650  0 196 GLY   AAA CA  1 ? 
ATOM   1339 C  C   . GLY   A 1 183 ? -12.319 -24.387 -4.799  1.000 20.971  0 196 GLY   AAA C   1 ? 
ATOM   1340 O  O   . GLY   A 1 183 ? -11.197 -23.948 -5.044  1.000 21.676  0 196 GLY   AAA O   1 ? 
ATOM   1341 N  N   . GLY   A 1 184 ? -13.087 -24.771 -5.802  1.000 23.084  0 197 GLY   AAA N   1 ? 
ATOM   1342 C  CA  . GLY   A 1 184 ? -12.563 -24.604 -7.154  1.000 23.098  0 197 GLY   AAA CA  1 ? 
ATOM   1343 C  C   . GLY   A 1 184 ? -12.620 -23.164 -7.622  1.000 22.476  0 197 GLY   AAA C   1 ? 
ATOM   1344 O  O   . GLY   A 1 184 ? -13.393 -22.357 -7.095  1.000 22.716  0 197 GLY   AAA O   1 ? 
ATOM   1345 N  N   . PRO   A 1 185 ? -11.822 -22.806 -8.644  1.000 21.205  0 198 PRO   AAA N   1 ? 
ATOM   1346 C  CA  . PRO   A 1 185 ? -11.781 -21.435 -9.164  1.000 22.168  0 198 PRO   AAA CA  1 ? 
ATOM   1347 C  C   . PRO   A 1 185 ? -12.841 -21.139 -10.219 1.000 22.755  0 198 PRO   AAA C   1 ? 
ATOM   1348 O  O   . PRO   A 1 185 ? -13.210 -22.008 -11.023 1.000 25.735  0 198 PRO   AAA O   1 ? 
ATOM   1349 C  CB  . PRO   A 1 185 ? -10.411 -21.364 -9.818  1.000 23.558  0 198 PRO   AAA CB  1 ? 
ATOM   1350 C  CG  . PRO   A 1 185 ? -10.190 -22.772 -10.341 1.000 22.947  0 198 PRO   AAA CG  1 ? 
ATOM   1351 C  CD  . PRO   A 1 185 ? -10.855 -23.682 -9.322  1.000 23.171  0 198 PRO   AAA CD  1 ? 
ATOM   1352 N  N   . LEU   A 1 186 ? -13.355 -19.923 -10.126 1.000 23.505  0 199 LEU   AAA N   1 ? 
ATOM   1353 C  CA  . LEU   A 1 186 ? -14.153 -19.326 -11.183 1.000 22.742  0 199 LEU   AAA CA  1 ? 
ATOM   1354 C  C   . LEU   A 1 186 ? -13.221 -18.463 -12.019 1.000 24.413  0 199 LEU   AAA C   1 ? 
ATOM   1355 O  O   . LEU   A 1 186 ? -12.592 -17.543 -11.512 1.000 24.869  0 199 LEU   AAA O   1 ? 
ATOM   1356 C  CB  . LEU   A 1 186 ? -15.229 -18.466 -10.515 1.000 24.550  0 199 LEU   AAA CB  1 ? 
ATOM   1357 C  CG  . LEU   A 1 186 ? -16.162 -17.751 -11.520 1.000 24.266  0 199 LEU   AAA CG  1 ? 
ATOM   1358 C  CD1 . LEU   A 1 186 ? -17.214 -18.716 -12.015 1.000 27.211  0 199 LEU   AAA CD1 1 ? 
ATOM   1359 C  CD2 . LEU   A 1 186 ? -16.799 -16.566 -10.839 1.000 28.388  0 199 LEU   AAA CD2 1 ? 
ATOM   1360 N  N   . LEU   A 1 187 ? -13.086 -18.792 -13.303 1.000 25.393  0 200 LEU   AAA N   1 ? 
ATOM   1361 C  CA  . LEU   A 1 187 ? -12.185 -18.035 -14.158 1.000 26.474  0 200 LEU   AAA CA  1 ? 
ATOM   1362 C  C   . LEU   A 1 187 ? -13.038 -17.151 -15.048 1.000 28.496  0 200 LEU   AAA C   1 ? 
ATOM   1363 O  O   . LEU   A 1 187 ? -14.036 -17.596 -15.571 1.000 30.056  0 200 LEU   AAA O   1 ? 
ATOM   1364 C  CB  . LEU   A 1 187 ? -11.329 -18.961 -15.002 1.000 26.906  0 200 LEU   AAA CB  1 ? 
ATOM   1365 C  CG  . LEU   A 1 187 ? -10.101 -19.561 -14.313 1.000 29.569  0 200 LEU   AAA CG  1 ? 
ATOM   1366 C  CD1 . LEU   A 1 187 ? -10.490 -20.726 -13.431 1.000 29.917  0 200 LEU   AAA CD1 1 ? 
ATOM   1367 C  CD2 . LEU   A 1 187 ? -9.092  -19.973 -15.345 1.000 33.246  0 200 LEU   AAA CD2 1 ? 
ATOM   1368 N  N   . CYS   A 1 188 ? -12.610 -15.901 -15.198 1.000 30.051  0 201 CYS   AAA N   1 ? 
ATOM   1369 C  CA  . CYS   A 1 188 ? -13.264 -14.949 -16.087 1.000 32.796  0 201 CYS   AAA CA  1 ? 
ATOM   1370 C  C   . CYS   A 1 188 ? -12.143 -14.391 -16.974 1.000 38.460  0 201 CYS   AAA C   1 ? 
ATOM   1371 O  O   . CYS   A 1 188 ? -11.118 -13.985 -16.445 1.000 35.438  0 201 CYS   AAA O   1 ? 
ATOM   1372 C  CB  . CYS   A 1 188 ? -13.921 -13.809 -15.320 1.000 33.891  0 201 CYS   AAA CB  1 ? 
ATOM   1373 S  SG  . CYS   A 1 188 ? -15.029 -14.282 -13.967 1.000 33.788  0 201 CYS   AAA SG  1 ? 
ATOM   1374 N  N   . ALA   A 1 189 ? -12.258 -14.542 -18.302 1.000 42.600  0 202 ALA   AAA N   1 ? 
ATOM   1375 C  CA  . ALA   A 1 189 ? -11.178 -14.193 -19.231 1.000 48.153  0 202 ALA   AAA CA  1 ? 
ATOM   1376 C  C   . ALA   A 1 189 ? -9.852  -14.865 -18.871 1.000 47.808  0 202 ALA   AAA C   1 ? 
ATOM   1377 O  O   . ALA   A 1 189 ? -8.802  -14.240 -18.953 1.000 53.056  0 202 ALA   AAA O   1 ? 
ATOM   1378 C  CB  . ALA   A 1 189 ? -10.999 -12.688 -19.265 1.000 50.288  0 202 ALA   AAA CB  1 ? 
ATOM   1379 N  N   . GLY   A 1 190 ? -9.877  -16.118 -18.425 1.000 42.992  0 207 GLY   AAA N   1 ? 
ATOM   1380 C  CA  . GLY   A 1 190 ? -8.648  -16.856 -18.191 1.000 42.029  0 207 GLY   AAA CA  1 ? 
ATOM   1381 C  C   . GLY   A 1 190 ? -7.947  -16.473 -16.889 1.000 45.771  0 207 GLY   AAA C   1 ? 
ATOM   1382 O  O   . GLY   A 1 190 ? -6.849  -16.964 -16.631 1.000 44.226  0 207 GLY   AAA O   1 ? 
ATOM   1383 N  N   . ALA   A 1 191 ? -8.567  -15.627 -16.048 1.000 40.658  0 208 ALA   AAA N   1 ? 
ATOM   1384 C  CA  . ALA   A 1 191 ? -7.977  -15.335 -14.746 1.000 36.270  0 208 ALA   AAA CA  1 ? 
ATOM   1385 C  C   . ALA   A 1 191 ? -8.908  -15.772 -13.626 1.000 31.312  0 208 ALA   AAA C   1 ? 
ATOM   1386 O  O   . ALA   A 1 191 ? -10.098 -15.516 -13.712 1.000 29.417  0 208 ALA   AAA O   1 ? 
ATOM   1387 C  CB  . ALA   A 1 191 ? -7.689  -13.852 -14.642 1.000 39.847  0 208 ALA   AAA CB  1 ? 
ATOM   1388 N  N   . ALA   A 1 192 ? -8.336  -16.303 -12.545 1.000 29.861  0 209 ALA   AAA N   1 ? 
ATOM   1389 C  CA  . ALA   A 1 192 ? -9.100  -16.705 -11.375 1.000 29.404  0 209 ALA   AAA CA  1 ? 
ATOM   1390 C  C   . ALA   A 1 192 ? -9.659  -15.472 -10.679 1.000 30.254  0 209 ALA   AAA C   1 ? 
ATOM   1391 O  O   . ALA   A 1 192 ? -8.900  -14.611 -10.261 1.000 32.478  0 209 ALA   AAA O   1 ? 
ATOM   1392 C  CB  . ALA   A 1 192 ? -8.239  -17.518 -10.413 1.000 29.590  0 209 ALA   AAA CB  1 ? 
ATOM   1393 N  N   . GLN   A 1 193 ? -10.985 -15.406 -10.518 1.000 25.321  0 210 GLN   AAA N   1 ? 
ATOM   1394 C  CA  . GLN   A 1 193 ? -11.607 -14.257 -9.865  1.000 27.501  0 210 GLN   AAA CA  1 ? 
ATOM   1395 C  C   . GLN   A 1 193 ? -12.385 -14.669 -8.610  1.000 24.111  0 210 GLN   AAA C   1 ? 
ATOM   1396 O  O   . GLN   A 1 193 ? -12.571 -13.839 -7.693  1.000 24.303  0 210 GLN   AAA O   1 ? 
ATOM   1397 C  CB  . GLN   A 1 193 ? -12.598 -13.542 -10.781 1.000 31.804  0 210 GLN   AAA CB  1 ? 
ATOM   1398 C  CG  . GLN   A 1 193 ? -12.032 -13.104 -12.125 1.000 39.263  0 210 GLN   AAA CG  1 ? 
ATOM   1399 C  CD  . GLN   A 1 193 ? -11.124 -11.907 -12.078 1.000 49.390  0 210 GLN   AAA CD  1 ? 
ATOM   1400 O  OE1 . GLN   A 1 193 ? -10.648 -11.440 -13.112 1.000 61.621  0 210 GLN   AAA OE1 1 ? 
ATOM   1401 N  NE2 . GLN   A 1 193 ? -10.837 -11.427 -10.879 1.000 51.796  0 210 GLN   AAA NE2 1 ? 
ATOM   1402 N  N   . GLY   A 1 194 ? -12.830 -15.927 -8.591  1.000 23.684  0 211 GLY   AAA N   1 ? 
ATOM   1403 C  CA  . GLY   A 1 194 ? -13.675 -16.445 -7.531  1.000 23.011  0 211 GLY   AAA CA  1 ? 
ATOM   1404 C  C   . GLY   A 1 194 ? -13.263 -17.807 -7.023  1.000 22.026  0 211 GLY   AAA C   1 ? 
ATOM   1405 O  O   . GLY   A 1 194 ? -12.539 -18.548 -7.694  1.000 22.424  0 211 GLY   AAA O   1 ? 
ATOM   1406 N  N   . ILE   A 1 195 ? -13.807 -18.156 -5.854  1.000 20.576  0 212 ILE   AAA N   1 ? 
ATOM   1407 C  CA  . ILE   A 1 195 ? -13.689 -19.496 -5.297  1.000 22.584  0 212 ILE   AAA CA  1 ? 
ATOM   1408 C  C   . ILE   A 1 195 ? -15.096 -19.974 -4.946  1.000 20.345  0 212 ILE   AAA C   1 ? 
ATOM   1409 O  O   . ILE   A 1 195 ? -15.805 -19.279 -4.219  1.000 21.416  0 212 ILE   AAA O   1 ? 
ATOM   1410 C  CB  . ILE   A 1 195 ? -12.759 -19.551 -4.065  1.000 22.003  0 212 ILE   AAA CB  1 ? 
ATOM   1411 C  CG1 . ILE   A 1 195 ? -11.372 -18.996 -4.400  1.000 23.855  0 212 ILE   AAA CG1 1 ? 
ATOM   1412 C  CG2 . ILE   A 1 195 ? -12.660 -20.994 -3.594  1.000 22.740  0 212 ILE   AAA CG2 1 ? 
ATOM   1413 C  CD1 . ILE   A 1 195 ? -10.449 -18.794 -3.189  1.000 23.155  0 212 ILE   AAA CD1 1 ? 
ATOM   1414 N  N   . VAL   A 1 196 ? -15.493 -21.144 -5.457  1.000 20.242  0 213 VAL   AAA N   1 ? 
ATOM   1415 C  CA  . VAL   A 1 196 ? -16.774 -21.715 -5.090  1.000 19.184  0 213 VAL   AAA CA  1 ? 
ATOM   1416 C  C   . VAL   A 1 196 ? -16.905 -21.743 -3.565  1.000 21.395  0 213 VAL   AAA C   1 ? 
ATOM   1417 O  O   . VAL   A 1 196 ? -16.079 -22.350 -2.890  1.000 21.131  0 213 VAL   AAA O   1 ? 
ATOM   1418 C  CB  . VAL   A 1 196 ? -16.966 -23.119 -5.687  1.000 21.571  0 213 VAL   AAA CB  1 ? 
ATOM   1419 C  CG1 . VAL   A 1 196 ? -18.305 -23.705 -5.299  1.000 22.074  0 213 VAL   AAA CG1 1 ? 
ATOM   1420 C  CG2 . VAL   A 1 196 ? -16.834 -23.168 -7.212  1.000 22.432  0 213 VAL   AAA CG2 1 ? 
ATOM   1421 N  N   . SER   A 1 197 ? -17.993 -21.146 -3.018  1.000 21.432  0 214 SER   AAA N   1 ? 
ATOM   1422 C  CA  . SER   A 1 197 ? -18.203 -21.111 -1.580  1.000 21.355  0 214 SER   AAA CA  1 ? 
ATOM   1423 C  C   . SER   A 1 197 ? -19.515 -21.758 -1.142  1.000 23.521  0 214 SER   AAA C   1 ? 
ATOM   1424 O  O   . SER   A 1 197 ? -19.496 -22.802 -0.495  1.000 21.829  0 214 SER   AAA O   1 ? 
ATOM   1425 C  CB  . SER   A 1 197 ? -18.080 -19.700 -1.044  1.000 20.442  0 214 SER   AAA CB  1 ? 
ATOM   1426 O  OG  . SER   A 1 197 ? -18.239 -19.686 0.371   1.000 20.497  0 214 SER   AAA OG  1 ? 
ATOM   1427 N  N   . TYR   A 1 198 ? -20.674 -21.178 -1.505  1.000 20.289  0 215 TYR   AAA N   1 ? 
ATOM   1428 C  CA  . TYR   A 1 198 ? -21.933 -21.746 -1.004  1.000 19.866  0 215 TYR   AAA CA  1 ? 
ATOM   1429 C  C   . TYR   A 1 198 ? -23.105 -21.317 -1.841  1.000 20.979  0 215 TYR   AAA C   1 ? 
ATOM   1430 O  O   . TYR   A 1 198 ? -23.000 -20.427 -2.678  1.000 20.679  0 215 TYR   AAA O   1 ? 
ATOM   1431 C  CB  . TYR   A 1 198 ? -22.221 -21.351 0.453   1.000 20.137  0 215 TYR   AAA CB  1 ? 
ATOM   1432 C  CG  . TYR   A 1 198 ? -22.544 -19.909 0.735   1.000 19.692  0 215 TYR   AAA CG  1 ? 
ATOM   1433 C  CD1 . TYR   A 1 198 ? -23.858 -19.434 0.635   1.000 22.537  0 215 TYR   AAA CD1 1 ? 
ATOM   1434 C  CD2 . TYR   A 1 198 ? -21.559 -19.028 1.165   1.000 21.789  0 215 TYR   AAA CD2 1 ? 
ATOM   1435 C  CE1 . TYR   A 1 198 ? -24.161 -18.113 0.958   1.000 23.084  0 215 TYR   AAA CE1 1 ? 
ATOM   1436 C  CE2 . TYR   A 1 198 ? -21.848 -17.700 1.475   1.000 22.413  0 215 TYR   AAA CE2 1 ? 
ATOM   1437 C  CZ  . TYR   A 1 198 ? -23.162 -17.242 1.383   1.000 22.745  0 215 TYR   AAA CZ  1 ? 
ATOM   1438 O  OH  . TYR   A 1 198 ? -23.442 -15.909 1.712   1.000 22.474  0 215 TYR   AAA OH  1 ? 
ATOM   1439 N  N   . GLY   A 1 199 ? -24.227 -22.002 -1.614  1.000 21.245  0 216 GLY   AAA N   1 ? 
ATOM   1440 C  CA  . GLY   A 1 199 ? -25.460 -21.661 -2.291  1.000 22.511  0 216 GLY   AAA CA  1 ? 
ATOM   1441 C  C   . GLY   A 1 199 ? -26.658 -22.365 -1.659  1.000 23.150  0 216 GLY   AAA C   1 ? 
ATOM   1442 O  O   . GLY   A 1 199 ? -26.545 -22.936 -0.580  1.000 24.411  0 216 GLY   AAA O   1 ? 
ATOM   1443 N  N   . ARG   A 1 200 ? -27.762 -22.382 -2.392  1.000 24.150  0 217 ARG   AAA N   1 ? 
ATOM   1444 C  CA  . ARG   A 1 200 ? -28.977 -23.018 -1.916  1.000 26.053  0 217 ARG   AAA CA  1 ? 
ATOM   1445 C  C   . ARG   A 1 200 ? -28.887 -24.542 -1.975  1.000 23.566  0 217 ARG   AAA C   1 ? 
ATOM   1446 O  O   . ARG   A 1 200 ? -28.373 -25.115 -2.931  1.000 23.048  0 217 ARG   AAA O   1 ? 
ATOM   1447 C  CB  . ARG   A 1 200 ? -30.167 -22.580 -2.762  1.000 23.603  0 217 ARG   AAA CB  1 ? 
ATOM   1448 C  CG  . ARG   A 1 200 ? -30.591 -21.148 -2.486  1.000 24.832  0 217 ARG   AAA CG  1 ? 
ATOM   1449 C  CD  . ARG   A 1 200 ? -31.771 -20.733 -3.367  1.000 26.077  0 217 ARG   AAA CD  1 ? 
ATOM   1450 N  NE  . ARG   A 1 200 ? -32.937 -21.595 -3.200  1.000 27.461  0 217 ARG   AAA NE  1 ? 
ATOM   1451 C  CZ  . ARG   A 1 200 ? -34.031 -21.265 -2.513  1.000 30.140  0 217 ARG   AAA CZ  1 ? 
ATOM   1452 N  NH1 . ARG   A 1 200 ? -34.095 -20.140 -1.832  1.000 31.780  0 217 ARG   AAA NH1 1 ? 
ATOM   1453 N  NH2 . ARG   A 1 200 ? -35.058 -22.081 -2.485  1.000 31.435  0 217 ARG   AAA NH2 1 ? 
ATOM   1454 N  N   . SER   A 1 201 ? -29.532 -25.174 -0.989  1.000 25.987  0 218 SER   AAA N   1 ? 
ATOM   1455 C  CA  . SER   A 1 201 ? -29.587 -26.618 -0.912  1.000 28.682  0 218 SER   AAA CA  1 ? 
ATOM   1456 C  C   . SER   A 1 201 ? -30.303 -27.194 -2.133  1.000 28.698  0 218 SER   AAA C   1 ? 
ATOM   1457 O  O   . SER   A 1 201 ? -30.007 -28.335 -2.495  1.000 30.514  0 218 SER   AAA O   1 ? 
ATOM   1458 C  CB  . SER   A 1 201 ? -30.253 -27.059 0.361   1.000 28.619  0 218 SER   AAA CB  1 ? 
ATOM   1459 O  OG  . SER   A 1 201 ? -31.587 -26.623 0.375   1.000 30.819  0 218 SER   AAA OG  1 ? 
ATOM   1460 N  N   . ASP   A 1 202 ? -31.183 -26.399 -2.784  1.000 27.027  0 219 ASP   AAA N   1 ? 
ATOM   1461 C  CA  . ASP   A 1 202 ? -31.898 -26.873 -3.963  1.000 31.238  0 219 ASP   AAA CA  1 ? 
ATOM   1462 C  C   . ASP   A 1 202 ? -31.202 -26.512 -5.267  1.000 29.627  0 219 ASP   AAA C   1 ? 
ATOM   1463 O  O   . ASP   A 1 202 ? -31.776 -26.718 -6.337  1.000 28.830  0 219 ASP   AAA O   1 ? 
ATOM   1464 C  CB  . ASP   A 1 202 ? -33.350 -26.378 -3.962  1.000 33.475  0 219 ASP   AAA CB  1 ? 
ATOM   1465 C  CG  . ASP   A 1 202 ? -33.533 -24.883 -4.093  1.000 30.825  0 219 ASP   AAA CG  1 ? 
ATOM   1466 O  OD1 . ASP   A 1 202 ? -32.529 -24.172 -4.283  1.000 25.911  0 219 ASP   AAA OD1 1 ? 
ATOM   1467 O  OD2 . ASP   A 1 202 ? -34.694 -24.416 -4.058  1.000 29.933  0 219 ASP   AAA OD2 1 ? 
ATOM   1468 N  N   . ALA   A 1 203 ? -29.983 -25.964 -5.189  1.000 28.119  0 220 ALA   AAA N   1 ? 
ATOM   1469 C  CA  . ALA   A 1 203 ? -29.146 -25.648 -6.333  1.000 27.080  0 220 ALA   AAA CA  1 ? 
ATOM   1470 C  C   . ALA   A 1 203 ? -29.728 -24.565 -7.244  1.000 26.669  0 220 ALA   AAA C   1 ? 
ATOM   1471 O  O   . ALA   A 1 203 ? -29.226 -24.353 -8.336  1.000 27.024  0 220 ALA   AAA O   1 ? 
ATOM   1472 C  CB  . ALA   A 1 203 ? -28.826 -26.905 -7.096  1.000 28.295  0 220 ALA   AAA CB  1 ? 
ATOM   1473 N  N   . LYS   A 1 204 ? -30.734 -23.820 -6.795  1.000 25.329  0 221 LYS   AAA N   1 ? 
ATOM   1474 C  CA  . LYS   A 1 204 ? -31.249 -22.744 -7.634  1.000 27.856  0 221 LYS   AAA CA  1 ? 
ATOM   1475 C  C   . LYS   A 1 204 ? -30.246 -21.592 -7.639  1.000 26.545  0 221 LYS   AAA C   1 ? 
ATOM   1476 O  O   . LYS   A 1 204 ? -29.941 -21.041 -6.586  1.000 25.369  0 221 LYS   AAA O   1 ? 
ATOM   1477 C  CB  . LYS   A 1 204 ? -32.594 -22.227 -7.121  1.000 29.869  0 221 LYS   AAA CB  1 ? 
ATOM   1478 C  CG  . LYS   A 1 204 ? -33.747 -23.208 -7.284  1.000 40.013  0 221 LYS   AAA CG  1 ? 
ATOM   1479 C  CD  . LYS   A 1 204 ? -35.052 -22.597 -6.821  1.000 46.587  0 221 LYS   AAA CD  1 ? 
ATOM   1480 C  CE  . LYS   A 1 204 ? -36.243 -23.493 -7.075  1.000 57.020  0 221 LYS   AAA CE  1 ? 
ATOM   1481 N  NZ  . LYS   A 1 204 ? -37.487 -22.791 -6.677  1.000 63.945  0 221 LYS   AAA NZ  1 ? 
ATOM   1482 N  N   . PRO   A 1 205 ? -29.712 -21.186 -8.805  1.000 25.872  0 224 PRO   AAA N   1 ? 
ATOM   1483 C  CA  . PRO   A 1 205 ? -28.719 -20.115 -8.816  1.000 23.958  0 224 PRO   AAA CA  1 ? 
ATOM   1484 C  C   . PRO   A 1 205 ? -29.370 -18.776 -8.478  1.000 24.898  0 224 PRO   AAA C   1 ? 
ATOM   1485 O  O   . PRO   A 1 205 ? -30.608 -18.598 -8.550  1.000 24.985  0 224 PRO   AAA O   1 ? 
ATOM   1486 C  CB  . PRO   A 1 205 ? -28.161 -20.103 -10.231 1.000 25.253  0 224 PRO   AAA CB  1 ? 
ATOM   1487 C  CG  . PRO   A 1 205 ? -28.697 -21.356 -10.895 1.000 27.059  0 224 PRO   AAA CG  1 ? 
ATOM   1488 C  CD  . PRO   A 1 205 ? -29.952 -21.762 -10.143 1.000 25.682  0 224 PRO   AAA CD  1 ? 
ATOM   1489 N  N   . PRO   A 1 206 ? -28.590 -17.737 -8.128  1.000 22.729  0 225 PRO   AAA N   1 ? 
ATOM   1490 C  CA  . PRO   A 1 206 ? -27.128 -17.771 -8.098  1.000 23.100  0 225 PRO   AAA CA  1 ? 
ATOM   1491 C  C   . PRO   A 1 206 ? -26.530 -18.393 -6.841  1.000 23.266  0 225 PRO   AAA C   1 ? 
ATOM   1492 O  O   . PRO   A 1 206 ? -27.246 -18.697 -5.888  1.000 23.353  0 225 PRO   AAA O   1 ? 
ATOM   1493 C  CB  . PRO   A 1 206 ? -26.770 -16.273 -8.168  1.000 23.879  0 225 PRO   AAA CB  1 ? 
ATOM   1494 C  CG  . PRO   A 1 206 ? -27.934 -15.592 -7.473  1.000 24.261  0 225 PRO   AAA CG  1 ? 
ATOM   1495 C  CD  . PRO   A 1 206 ? -29.145 -16.400 -7.860  1.000 24.424  0 225 PRO   AAA CD  1 ? 
ATOM   1496 N  N   . ALA   A 1 207 ? -25.204 -18.559 -6.903  1.000 22.192  0 226 ALA   AAA N   1 ? 
ATOM   1497 C  CA  . ALA   A 1 207 ? -24.384 -18.991 -5.787  1.000 21.950  0 226 ALA   AAA CA  1 ? 
ATOM   1498 C  C   . ALA   A 1 207 ? -23.378 -17.902 -5.425  1.000 21.521  0 226 ALA   AAA C   1 ? 
ATOM   1499 O  O   . ALA   A 1 207 ? -23.151 -16.921 -6.162  1.000 22.205  0 226 ALA   AAA O   1 ? 
ATOM   1500 C  CB  . ALA   A 1 207 ? -23.705 -20.298 -6.106  1.000 24.158  0 226 ALA   AAA CB  1 ? 
ATOM   1501 N  N   . VAL   A 1 208 ? -22.778 -18.101 -4.252  1.000 21.479  0 227 VAL   AAA N   1 ? 
ATOM   1502 C  CA  . VAL   A 1 208 ? -21.820 -17.179 -3.678  1.000 20.258  0 227 VAL   AAA CA  1 ? 
ATOM   1503 C  C   . VAL   A 1 208 ? -20.408 -17.746 -3.800  1.000 21.889  0 227 VAL   AAA C   1 ? 
ATOM   1504 O  O   . VAL   A 1 208 ? -20.172 -18.889 -3.440  1.000 22.255  0 227 VAL   AAA O   1 ? 
ATOM   1505 C  CB  . VAL   A 1 208 ? -22.187 -16.867 -2.224  1.000 19.979  0 227 VAL   AAA CB  1 ? 
ATOM   1506 C  CG1 . VAL   A 1 208 ? -21.166 -15.946 -1.562  1.000 21.653  0 227 VAL   AAA CG1 1 ? 
ATOM   1507 C  CG2 . VAL   A 1 208 ? -23.557 -16.280 -2.159  1.000 21.289  0 227 VAL   AAA CG2 1 ? 
ATOM   1508 N  N   . PHE   A 1 209 ? -19.518 -16.919 -4.367  1.000 21.297  0 228 PHE   AAA N   1 ? 
ATOM   1509 C  CA  . PHE   A 1 209 ? -18.104 -17.205 -4.525  1.000 21.979  0 228 PHE   AAA CA  1 ? 
ATOM   1510 C  C   . PHE   A 1 209 ? -17.292 -16.204 -3.714  1.000 21.510  0 228 PHE   AAA C   1 ? 
ATOM   1511 O  O   . PHE   A 1 209 ? -17.611 -15.000 -3.702  1.000 21.555  0 228 PHE   AAA O   1 ? 
ATOM   1512 C  CB  . PHE   A 1 209 ? -17.721 -17.153 -6.003  1.000 22.108  0 228 PHE   AAA CB  1 ? 
ATOM   1513 C  CG  . PHE   A 1 209 ? -18.212 -18.310 -6.848  1.000 21.092  0 228 PHE   AAA CG  1 ? 
ATOM   1514 C  CD1 . PHE   A 1 209 ? -19.564 -18.556 -7.022  1.000 22.969  0 228 PHE   AAA CD1 1 ? 
ATOM   1515 C  CD2 . PHE   A 1 209 ? -17.321 -19.048 -7.596  1.000 19.668  0 228 PHE   AAA CD2 1 ? 
ATOM   1516 C  CE1 . PHE   A 1 209 ? -20.007 -19.629 -7.785  1.000 22.250  0 228 PHE   AAA CE1 1 ? 
ATOM   1517 C  CE2 . PHE   A 1 209 ? -17.776 -20.084 -8.422  1.000 21.134  0 228 PHE   AAA CE2 1 ? 
ATOM   1518 C  CZ  . PHE   A 1 209 ? -19.108 -20.382 -8.488  1.000 20.200  0 228 PHE   AAA CZ  1 ? 
ATOM   1519 N  N   . THR   A 1 210 ? -16.141 -16.658 -3.202  1.000 21.074  0 229 THR   AAA N   1 ? 
ATOM   1520 C  CA  . THR   A 1 210 ? -15.187 -15.754 -2.568  1.000 20.218  0 229 THR   AAA CA  1 ? 
ATOM   1521 C  C   . THR   A 1 210 ? -14.548 -14.860 -3.632  1.000 21.158  0 229 THR   AAA C   1 ? 
ATOM   1522 O  O   . THR   A 1 210 ? -14.194 -15.356 -4.705  1.000 21.160  0 229 THR   AAA O   1 ? 
ATOM   1523 C  CB  . THR   A 1 210 ? -14.097 -16.527 -1.827  1.000 20.874  0 229 THR   AAA CB  1 ? 
ATOM   1524 O  OG1 . THR   A 1 210 ? -14.781 -17.433 -0.963  1.000 22.263  0 229 THR   AAA OG1 1 ? 
ATOM   1525 C  CG2 . THR   A 1 210 ? -13.128 -15.606 -1.101  1.000 23.969  0 229 THR   AAA CG2 1 ? 
ATOM   1526 N  N   . ARG   A 1 211 ? -14.486 -13.538 -3.387  1.000 23.350  0 230 ARG   AAA N   1 ? 
ATOM   1527 C  CA  . ARG   A 1 211 ? -13.856 -12.599 -4.320  1.000 24.187  0 230 ARG   AAA CA  1 ? 
ATOM   1528 C  C   . ARG   A 1 211 ? -12.346 -12.583 -4.057  1.000 24.050  0 230 ARG   AAA C   1 ? 
ATOM   1529 O  O   . ARG   A 1 211 ? -11.890 -12.003 -3.082  1.000 25.056  0 230 ARG   AAA O   1 ? 
ATOM   1530 C  CB  . ARG   A 1 211 ? -14.455 -11.189 -4.177  1.000 24.303  0 230 ARG   AAA CB  1 ? 
ATOM   1531 C  CG  . ARG   A 1 211 ? -13.891 -10.143 -5.143  1.000 25.469  0 230 ARG   AAA CG  1 ? 
ATOM   1532 C  CD  . ARG   A 1 211 ? -14.380 -8.753  -4.766  1.000 26.000  0 230 ARG   AAA CD  1 ? 
ATOM   1533 N  NE  . ARG   A 1 211 ? -15.814 -8.561  -4.978  1.000 28.685  0 230 ARG   AAA NE  1 ? 
ATOM   1534 C  CZ  . ARG   A 1 211 ? -16.404 -8.306  -6.147  1.000 30.614  0 230 ARG   AAA CZ  1 ? 
ATOM   1535 N  NH1 . ARG   A 1 211 ? -15.721 -8.291  -7.271  1.000 30.922  0 230 ARG   AAA NH1 1 ? 
ATOM   1536 N  NH2 . ARG   A 1 211 ? -17.695 -8.035  -6.199  1.000 31.788  0 230 ARG   AAA NH2 1 ? 
ATOM   1537 N  N   . ILE   A 1 212 ? -11.559 -13.243 -4.917  1.000 25.232  0 231 ILE   AAA N   1 ? 
ATOM   1538 C  CA  . ILE   A 1 212 ? -10.142 -13.461 -4.654  1.000 25.774  0 231 ILE   AAA CA  1 ? 
ATOM   1539 C  C   . ILE   A 1 212 ? -9.387  -12.137 -4.489  1.000 25.464  0 231 ILE   AAA C   1 ? 
ATOM   1540 O  O   . ILE   A 1 212 ? -8.511  -12.058 -3.631  1.000 27.932  0 231 ILE   AAA O   1 ? 
ATOM   1541 C  CB  . ILE   A 1 212 ? -9.497  -14.340 -5.750  1.000 26.224  0 231 ILE   AAA CB  1 ? 
ATOM   1542 C  CG1 . ILE   A 1 212 ? -10.134 -15.723 -5.788  1.000 27.193  0 231 ILE   AAA CG1 1 ? 
ATOM   1543 C  CG2 . ILE   A 1 212 ? -7.981  -14.416 -5.619  1.000 27.993  0 231 ILE   AAA CG2 1 ? 
ATOM   1544 C  CD1 . ILE   A 1 212 ? -9.661  -16.563 -6.939  1.000 28.230  0 231 ILE   AAA CD1 1 ? 
ATOM   1545 N  N   . SER   A 1 213 ? -9.742  -11.109 -5.276  1.000 27.395  0 232 SER   AAA N   1 ? 
ATOM   1546 C  CA  . SER   A 1 213 ? -9.023  -9.835  -5.284  1.000 29.488  0 232 SER   AAA CA  1 ? 
ATOM   1547 C  C   . SER   A 1 213 ? -8.929  -9.250  -3.881  1.000 29.161  0 232 SER   AAA C   1 ? 
ATOM   1548 O  O   . SER   A 1 213 ? -7.884  -8.730  -3.493  1.000 32.272  0 232 SER   AAA O   1 ? 
ATOM   1549 C  CB  . SER   A 1 213 ? -9.678  -8.867  -6.245  1.000 29.601  0 232 SER   AAA CB  1 ? 
ATOM   1550 O  OG  . SER   A 1 213 ? -10.976 -8.477  -5.799  1.000 30.641  0 232 SER   AAA OG  1 ? 
ATOM   1551 N  N   . HIS   A 1 214 ? -10.004 -9.379  -3.099  1.000 29.222  0 233 HIS   AAA N   1 ? 
ATOM   1552 C  CA  . HIS   A 1 214 ? -10.034 -8.879  -1.732  1.000 30.659  0 233 HIS   AAA CA  1 ? 
ATOM   1553 C  C   . HIS   A 1 214 ? -8.930  -9.502  -0.875  1.000 31.046  0 233 HIS   AAA C   1 ? 
ATOM   1554 O  O   . HIS   A 1 214 ? -8.443  -8.887  0.072   1.000 28.761  0 233 HIS   AAA O   1 ? 
ATOM   1555 C  CB  . HIS   A 1 214 ? -11.412 -9.096  -1.105  1.000 31.867  0 233 HIS   AAA CB  1 ? 
ATOM   1556 C  CG  . HIS   A 1 214 ? -11.523 -8.566  0.280   1.000 32.025  0 233 HIS   AAA CG  1 ? 
ATOM   1557 N  ND1 . HIS   A 1 214 ? -11.662 -7.228  0.546   1.000 34.446  0 233 HIS   AAA ND1 1 ? 
ATOM   1558 C  CD2 . HIS   A 1 214 ? -11.448 -9.173  1.472   1.000 34.899  0 233 HIS   AAA CD2 1 ? 
ATOM   1559 C  CE1 . HIS   A 1 214 ? -11.697 -7.052  1.855   1.000 35.254  0 233 HIS   AAA CE1 1 ? 
ATOM   1560 N  NE2 . HIS   A 1 214 ? -11.567 -8.222  2.452   1.000 37.133  0 233 HIS   AAA NE2 1 ? 
ATOM   1561 N  N   . TYR   A 1 215 ? -8.554  -10.747 -1.206  1.000 30.704  0 234 TYR   AAA N   1 ? 
ATOM   1562 C  CA  . TYR   A 1 215 ? -7.724  -11.577 -0.333  1.000 29.777  0 234 TYR   AAA CA  1 ? 
ATOM   1563 C  C   . TYR   A 1 215 ? -6.278  -11.628 -0.815  1.000 28.217  0 234 TYR   AAA C   1 ? 
ATOM   1564 O  O   . TYR   A 1 215 ? -5.448  -12.263 -0.171  1.000 29.825  0 234 TYR   AAA O   1 ? 
ATOM   1565 C  CB  . TYR   A 1 215 ? -8.327  -12.987 -0.224  1.000 27.540  0 234 TYR   AAA CB  1 ? 
ATOM   1566 C  CG  . TYR   A 1 215 ? -9.643  -12.960 0.483   1.000 26.395  0 234 TYR   AAA CG  1 ? 
ATOM   1567 C  CD1 . TYR   A 1 215 ? -9.694  -12.850 1.860   1.000 29.346  0 234 TYR   AAA CD1 1 ? 
ATOM   1568 C  CD2 . TYR   A 1 215 ? -10.827 -12.866 -0.234  1.000 25.477  0 234 TYR   AAA CD2 1 ? 
ATOM   1569 C  CE1 . TYR   A 1 215 ? -10.907 -12.703 2.511   1.000 26.911  0 234 TYR   AAA CE1 1 ? 
ATOM   1570 C  CE2 . TYR   A 1 215 ? -12.049 -12.715 0.401   1.000 26.516  0 234 TYR   AAA CE2 1 ? 
ATOM   1571 C  CZ  . TYR   A 1 215 ? -12.078 -12.623 1.783   1.000 25.037  0 234 TYR   AAA CZ  1 ? 
ATOM   1572 O  OH  . TYR   A 1 215 ? -13.241 -12.432 2.429   1.000 26.564  0 234 TYR   AAA OH  1 ? 
ATOM   1573 N  N   . GLN   A 1 216 ? -5.958  -10.938 -1.913  1.000 31.733  0 235 GLN   AAA N   1 ? 
ATOM   1574 C  CA  . GLN   A 1 216 ? -4.640  -11.029 -2.524  1.000 35.920  0 235 GLN   AAA CA  1 ? 
ATOM   1575 C  C   . GLN   A 1 216 ? -3.526  -10.638 -1.557  1.000 34.454  0 235 GLN   AAA C   1 ? 
ATOM   1576 O  O   . GLN   A 1 216 ? -2.488  -11.317 -1.540  1.000 31.175  0 235 GLN   AAA O   1 ? 
ATOM   1577 C  CB  . GLN   A 1 216 ? -4.473  -10.161 -3.771  1.000 44.047  0 235 GLN   AAA CB  1 ? 
ATOM   1578 C  CG  . GLN   A 1 216 ? -4.906  -10.848 -5.048  1.000 54.314  0 235 GLN   AAA CG  1 ? 
ATOM   1579 C  CD  . GLN   A 1 216 ? -4.160  -12.125 -5.377  1.000 61.115  0 235 GLN   AAA CD  1 ? 
ATOM   1580 O  OE1 . GLN   A 1 216 ? -4.625  -12.920 -6.191  1.000 67.155  0 235 GLN   AAA OE1 1 ? 
ATOM   1581 N  NE2 . GLN   A 1 216 ? -3.007  -12.347 -4.754  1.000 61.726  0 235 GLN   AAA NE2 1 ? 
ATOM   1582 N  N   . PRO   A 1 217 ? -3.635  -9.541  -0.771  1.000 34.752  0 236 PRO   AAA N   1 ? 
ATOM   1583 C  CA  . PRO   A 1 217 ? -2.619  -9.247  0.239   1.000 35.283  0 236 PRO   AAA CA  1 ? 
ATOM   1584 C  C   . PRO   A 1 217 ? -2.401  -10.367 1.250   1.000 33.167  0 236 PRO   AAA C   1 ? 
ATOM   1585 O  O   . PRO   A 1 217 ? -1.265  -10.658 1.605   1.000 29.125  0 236 PRO   AAA O   1 ? 
ATOM   1586 C  CB  . PRO   A 1 217 ? -3.138  -7.968  0.930   1.000 35.646  0 236 PRO   AAA CB  1 ? 
ATOM   1587 C  CG  . PRO   A 1 217 ? -3.971  -7.310  -0.139  1.000 34.552  0 236 PRO   AAA CG  1 ? 
ATOM   1588 C  CD  . PRO   A 1 217 ? -4.665  -8.484  -0.810  1.000 34.320  0 236 PRO   AAA CD  1 ? 
ATOM   1589 N  N   . TRP   A 1 218 ? -3.487  -10.983 1.726   1.000 31.101  0 237 TRP   AAA N   1 ? 
ATOM   1590 C  CA  . TRP   A 1 218 ? -3.352  -12.100 2.652   1.000 31.535  0 237 TRP   AAA CA  1 ? 
ATOM   1591 C  C   . TRP   A 1 218 ? -2.681  -13.286 1.957   1.000 28.211  0 237 TRP   AAA C   1 ? 
ATOM   1592 O  O   . TRP   A 1 218 ? -1.783  -13.901 2.523   1.000 29.025  0 237 TRP   AAA O   1 ? 
ATOM   1593 C  CB  . TRP   A 1 218 ? -4.714  -12.471 3.233   1.000 30.638  0 237 TRP   AAA CB  1 ? 
ATOM   1594 C  CG  . TRP   A 1 218 ? -4.676  -13.710 4.061   1.000 29.883  0 237 TRP   AAA CG  1 ? 
ATOM   1595 C  CD1 . TRP   A 1 218 ? -4.239  -13.829 5.338   1.000 31.030  0 237 TRP   AAA CD1 1 ? 
ATOM   1596 C  CD2 . TRP   A 1 218 ? -4.997  -15.043 3.621   1.000 30.809  0 237 TRP   AAA CD2 1 ? 
ATOM   1597 N  NE1 . TRP   A 1 218 ? -4.314  -15.129 5.744   1.000 34.280  0 237 TRP   AAA NE1 1 ? 
ATOM   1598 C  CE2 . TRP   A 1 218 ? -4.751  -15.898 4.711   1.000 30.101  0 237 TRP   AAA CE2 1 ? 
ATOM   1599 C  CE3 . TRP   A 1 218 ? -5.438  -15.586 2.421   1.000 27.085  0 237 TRP   AAA CE3 1 ? 
ATOM   1600 C  CZ2 . TRP   A 1 218 ? -4.970  -17.264 4.656   1.000 29.683  0 237 TRP   AAA CZ2 1 ? 
ATOM   1601 C  CZ3 . TRP   A 1 218 ? -5.661  -16.946 2.360   1.000 27.932  0 237 TRP   AAA CZ3 1 ? 
ATOM   1602 C  CH2 . TRP   A 1 218 ? -5.449  -17.757 3.476   1.000 27.319  0 237 TRP   AAA CH2 1 ? 
ATOM   1603 N  N   . ILE   A 1 219 ? -3.079  -13.587 0.724   1.000 26.453  0 238 ILE   AAA N   1 ? 
ATOM   1604 C  CA  . ILE   A 1 219 ? -2.442  -14.684 -0.009  1.000 25.824  0 238 ILE   AAA CA  1 ? 
ATOM   1605 C  C   . ILE   A 1 219 ? -0.924  -14.438 -0.106  1.000 29.867  0 238 ILE   AAA C   1 ? 
ATOM   1606 O  O   . ILE   A 1 219 ? -0.081  -15.316 0.145   1.000 27.666  0 238 ILE   AAA O   1 ? 
ATOM   1607 C  CB  . ILE   A 1 219 ? -3.095  -14.873 -1.387  1.000 27.730  0 238 ILE   AAA CB  1 ? 
ATOM   1608 C  CG1 . ILE   A 1 219 ? -4.559  -15.305 -1.275  1.000 28.617  0 238 ILE   AAA CG1 1 ? 
ATOM   1609 C  CG2 . ILE   A 1 219 ? -2.280  -15.850 -2.235  1.000 27.666  0 238 ILE   AAA CG2 1 ? 
ATOM   1610 C  CD1 . ILE   A 1 219 ? -5.303  -15.267 -2.581  1.000 28.490  0 238 ILE   AAA CD1 1 ? 
ATOM   1611 N  N   . ASN   A 1 220 ? -0.539  -13.192 -0.421  1.000 33.828  0 239 ASN   AAA N   1 ? 
ATOM   1612 C  CA  . ASN   A 1 220 ? 0.871   -12.897 -0.645  1.000 34.380  0 239 ASN   AAA CA  1 ? 
ATOM   1613 C  C   . ASN   A 1 220 ? 1.637   -13.015 0.661   1.000 32.607  0 239 ASN   AAA C   1 ? 
ATOM   1614 O  O   . ASN   A 1 220 ? 2.796   -13.423 0.687   1.000 35.102  0 239 ASN   AAA O   1 ? 
ATOM   1615 C  CB  . ASN   A 1 220 ? 1.022   -11.519 -1.304  1.000 37.960  0 239 ASN   AAA CB  1 ? 
ATOM   1616 C  CG  . ASN   A 1 220 ? 0.577   -11.523 -2.747  1.000 40.876  0 239 ASN   AAA CG  1 ? 
ATOM   1617 O  OD1 . ASN   A 1 220 ? 0.566   -12.558 -3.408  1.000 50.785  0 239 ASN   AAA OD1 1 ? 
ATOM   1618 N  ND2 . ASN   A 1 220 ? 0.245   -10.356 -3.274  1.000 46.082  0 239 ASN   AAA ND2 1 ? 
ATOM   1619 N  N   . GLN   A 1 221 ? 0.998   -12.615 1.749   1.000 31.959  0 240 GLN   AAA N   1 ? 
ATOM   1620 C  CA  . GLN   A 1 221 ? 1.576   -12.680 3.076   1.000 36.620  0 240 GLN   AAA CA  1 ? 
ATOM   1621 C  C   . GLN   A 1 221 ? 1.919   -14.129 3.412   1.000 37.947  0 240 GLN   AAA C   1 ? 
ATOM   1622 O  O   . GLN   A 1 221 ? 3.032   -14.408 3.838   1.000 35.375  0 240 GLN   AAA O   1 ? 
ATOM   1623 C  CB  . GLN   A 1 221 ? 0.593   -12.054 4.060   1.000 46.182  0 240 GLN   AAA CB  1 ? 
ATOM   1624 C  CG  . GLN   A 1 221 ? 1.051   -12.055 5.506   1.000 53.514  0 240 GLN   AAA CG  1 ? 
ATOM   1625 C  CD  . GLN   A 1 221 ? 0.107   -11.209 6.329   1.000 66.953  0 240 GLN   AAA CD  1 ? 
ATOM   1626 O  OE1 . GLN   A 1 221 ? 0.430   -10.790 7.439   1.000 80.612  0 240 GLN   AAA OE1 1 ? 
ATOM   1627 N  NE2 . GLN   A 1 221 ? -1.062  -10.915 5.774   1.000 62.429  0 240 GLN   AAA NE2 1 ? 
ATOM   1628 N  N   . ILE   A 1 222 ? 0.960   -15.048 3.211   1.000 30.225  0 241 ILE   AAA N   1 ? 
ATOM   1629 C  CA  . ILE   A 1 222 ? 1.191   -16.445 3.519   1.000 32.404  0 241 ILE   AAA CA  1 ? 
ATOM   1630 C  C   . ILE   A 1 222 ? 2.316   -16.978 2.632   1.000 31.922  0 241 ILE   AAA C   1 ? 
ATOM   1631 O  O   . ILE   A 1 222 ? 3.186   -17.690 3.117   1.000 34.436  0 241 ILE   AAA O   1 ? 
ATOM   1632 C  CB  . ILE   A 1 222 ? -0.107  -17.257 3.336   1.000 31.220  0 241 ILE   AAA CB  1 ? 
ATOM   1633 C  CG1 . ILE   A 1 222 ? -1.248  -16.790 4.241   1.000 32.514  0 241 ILE   AAA CG1 1 ? 
ATOM   1634 C  CG2 . ILE   A 1 222 ? 0.170   -18.748 3.480   1.000 33.375  0 241 ILE   AAA CG2 1 ? 
ATOM   1635 C  CD1 . ILE   A 1 222 ? -1.030  -17.059 5.721   1.000 34.749  0 241 ILE   AAA CD1 1 ? 
ATOM   1636 N  N   . LEU   A 1 223 ? 2.247   -16.718 1.317   1.000 30.719  0 242 LEU   AAA N   1 ? 
ATOM   1637 C  CA  . LEU   A 1 223 ? 3.217   -17.263 0.393   1.000 30.862  0 242 LEU   AAA CA  1 ? 
ATOM   1638 C  C   . LEU   A 1 223 ? 4.633   -16.789 0.767   1.000 40.939  0 242 LEU   AAA C   1 ? 
ATOM   1639 O  O   . LEU   A 1 223 ? 5.587   -17.568 0.696   1.000 38.457  0 242 LEU   AAA O   1 ? 
ATOM   1640 C  CB  . LEU   A 1 223 ? 2.870   -16.886 -1.042  1.000 33.320  0 242 LEU   AAA CB  1 ? 
ATOM   1641 C  CG  . LEU   A 1 223 ? 1.595   -17.488 -1.638  1.000 33.594  0 242 LEU   AAA CG  1 ? 
ATOM   1642 C  CD1 . LEU   A 1 223 ? 1.403   -17.012 -3.057  1.000 36.086  0 242 LEU   AAA CD1 1 ? 
ATOM   1643 C  CD2 . LEU   A 1 223 ? 1.623   -19.013 -1.591  1.000 32.980  0 242 LEU   AAA CD2 1 ? 
ATOM   1644 N  N   . GLN   A 1 224 ? 4.777   -15.520 1.188   1.000 40.902  0 243 GLN   AAA N   1 ? 
ATOM   1645 C  CA  . GLN   A 1 224 ? 6.093   -14.995 1.547   1.000 42.958  0 243 GLN   AAA CA  1 ? 
ATOM   1646 C  C   . GLN   A 1 224 ? 6.606   -15.575 2.862   1.000 39.305  0 243 GLN   AAA C   1 ? 
ATOM   1647 O  O   . GLN   A 1 224 ? 7.805   -15.666 3.062   1.000 46.898  0 243 GLN   AAA O   1 ? 
ATOM   1648 C  CB  . GLN   A 1 224 ? 6.066   -13.467 1.602   1.000 51.869  0 243 GLN   AAA CB  1 ? 
ATOM   1649 C  CG  . GLN   A 1 224 ? 6.153   -12.849 0.215   1.000 62.958  0 243 GLN   AAA CG  1 ? 
ATOM   1650 C  CD  . GLN   A 1 224 ? 6.026   -11.344 0.246   1.000 80.012  0 243 GLN   AAA CD  1 ? 
ATOM   1651 O  OE1 . GLN   A 1 224 ? 6.896   -10.640 0.762   1.000 85.839  0 243 GLN   AAA OE1 1 ? 
ATOM   1652 N  NE2 . GLN   A 1 224 ? 4.938   -10.836 -0.318  1.000 79.867  0 243 GLN   AAA NE2 1 ? 
ATOM   1653 N  N   . ALA   A 1 225 ? 5.733   -15.992 3.775   1.000 41.002  0 244 ALA   AAA N   1 ? 
ATOM   1654 C  CA  . ALA   A 1 225 ? 6.180   -16.495 5.072   1.000 42.358  0 244 ALA   AAA CA  1 ? 
ATOM   1655 C  C   . ALA   A 1 225 ? 6.436   -18.006 5.067   1.000 45.958  0 244 ALA   AAA C   1 ? 
ATOM   1656 O  O   . ALA   A 1 225 ? 6.901   -18.534 6.076   1.000 48.558  0 244 ALA   AAA O   1 ? 
ATOM   1657 C  CB  . ALA   A 1 225 ? 5.157   -16.144 6.123   1.000 44.450  0 244 ALA   AAA CB  1 ? 
ATOM   1658 N  N   . ASN   A 1 226 ? 6.128   -18.702 3.959   1.000 40.829  0 245 ASN   AAA N   1 ? 
ATOM   1659 C  CA  . ASN   A 1 226 ? 6.154   -20.166 3.923   1.000 41.308  0 245 ASN   AAA CA  1 ? 
ATOM   1660 C  C   . ASN   A 1 226 ? 6.827   -20.640 2.622   1.000 43.918  0 245 ASN   AAA C   1 ? 
ATOM   1661 O  O   . ASN   A 1 226 ? 6.690   -21.844 2.234   1.000 40.223  0 245 ASN   AAA O   1 ? 
ATOM   1662 C  CB  . ASN   A 1 226 ? 4.748   -20.727 4.098   1.000 39.039  0 245 ASN   AAA CB  1 ? 
ATOM   1663 C  CG  . ASN   A 1 226 ? 4.168   -20.435 5.466   1.000 39.710  0 245 ASN   AAA CG  1 ? 
ATOM   1664 O  OD1 . ASN   A 1 226 ? 4.370   -21.211 6.396   1.000 46.474  0 245 ASN   AAA OD1 1 ? 
ATOM   1665 N  ND2 . ASN   A 1 226 ? 3.427   -19.345 5.611   1.000 42.205  0 245 ASN   AAA ND2 1 ? 
ATOM   1666 O  OXT . ASN   A 1 226 ? 7.524   -19.802 2.055   1.000 50.732  0 245 ASN   AAA OXT 1 ? 
HETATM 1667 C  C1  . NAG   B 2 .   ? -19.288 -15.240 13.004  1.000 39.160  0 1   NAG   AaA C1  1 ? 
HETATM 1668 C  C2  . NAG   B 2 .   ? -18.719 -14.836 14.360  1.000 43.113  0 1   NAG   AaA C2  1 ? 
HETATM 1669 C  C3  . NAG   B 2 .   ? -19.849 -14.523 15.342  1.000 45.132  0 1   NAG   AaA C3  1 ? 
HETATM 1670 C  C4  . NAG   B 2 .   ? -20.918 -13.631 14.714  1.000 42.924  0 1   NAG   AaA C4  1 ? 
HETATM 1671 C  C5  . NAG   B 2 .   ? -21.420 -14.237 13.403  1.000 44.587  0 1   NAG   AaA C5  1 ? 
HETATM 1672 C  C6  . NAG   B 2 .   ? -22.477 -13.410 12.684  1.000 43.779  0 1   NAG   AaA C6  1 ? 
HETATM 1673 C  C7  . NAG   B 2 .   ? -16.494 -15.765 14.835  1.000 69.011  0 1   NAG   AaA C7  1 ? 
HETATM 1674 C  C8  . NAG   B 2 .   ? -15.728 -16.578 15.838  1.000 72.643  0 1   NAG   AaA C8  1 ? 
HETATM 1675 N  N2  . NAG   B 2 .   ? -17.832 -15.854 14.889  1.000 53.796  0 1   NAG   AaA N2  1 ? 
HETATM 1676 O  O3  . NAG   B 2 .   ? -19.296 -13.892 16.490  1.000 43.221  0 1   NAG   AaA O3  1 ? 
HETATM 1677 O  O4  . NAG   B 2 .   ? -21.986 -13.562 15.656  1.000 45.466  0 1   NAG   AaA O4  1 ? 
HETATM 1678 O  O5  . NAG   B 2 .   ? -20.282 -14.347 12.520  1.000 41.658  0 1   NAG   AaA O5  1 ? 
HETATM 1679 O  O6  . NAG   B 2 .   ? -22.105 -12.023 12.596  1.000 38.381  0 1   NAG   AaA O6  1 ? 
HETATM 1680 O  O7  . NAG   B 2 .   ? -15.919 -15.069 14.000  1.000 74.701  0 1   NAG   AaA O7  1 ? 
HETATM 1681 C  C1  . NAG   B 2 .   ? -22.269 -12.179 15.943  1.000 45.640  0 2   NAG   AaA C1  1 ? 
HETATM 1682 C  C2  . NAG   B 2 .   ? -23.599 -12.170 16.703  1.000 46.363  0 2   NAG   AaA C2  1 ? 
HETATM 1683 C  C3  . NAG   B 2 .   ? -23.939 -10.742 17.119  1.000 45.134  0 2   NAG   AaA C3  1 ? 
HETATM 1684 C  C4  . NAG   B 2 .   ? -22.777 -10.072 17.862  1.000 45.124  0 2   NAG   AaA C4  1 ? 
HETATM 1685 C  C5  . NAG   B 2 .   ? -21.494 -10.190 17.025  1.000 45.032  0 2   NAG   AaA C5  1 ? 
HETATM 1686 C  C6  . NAG   B 2 .   ? -20.267 -9.716  17.754  1.000 46.458  0 2   NAG   AaA C6  1 ? 
HETATM 1687 C  C7  . NAG   B 2 .   ? -25.065 -14.027 15.979  1.000 56.757  0 2   NAG   AaA C7  1 ? 
HETATM 1688 C  C8  . NAG   B 2 .   ? -26.116 -14.441 14.990  1.000 52.343  0 2   NAG   AaA C8  1 ? 
HETATM 1689 N  N2  . NAG   B 2 .   ? -24.675 -12.742 15.914  1.000 51.485  0 2   NAG   AaA N2  1 ? 
HETATM 1690 O  O3  . NAG   B 2 .   ? -25.096 -10.883 17.932  1.000 47.340  0 2   NAG   AaA O3  1 ? 
HETATM 1691 O  O4  . NAG   B 2 .   ? -23.034 -8.688  18.146  1.000 44.195  0 2   NAG   AaA O4  1 ? 
HETATM 1692 O  O5  . NAG   B 2 .   ? -21.225 -11.575 16.692  1.000 41.271  0 2   NAG   AaA O5  1 ? 
HETATM 1693 O  O6  . NAG   B 2 .   ? -19.951 -10.656 18.784  1.000 51.482  0 2   NAG   AaA O6  1 ? 
HETATM 1694 O  O7  . NAG   B 2 .   ? -24.595 -14.817 16.803  1.000 50.140  0 2   NAG   AaA O7  1 ? 
HETATM 1695 C  C1  . NAG   C 2 .   ? -14.147 -43.537 -14.987 1.000 44.926  0 1   NAG   AbA C1  1 ? 
HETATM 1696 C  C2  . NAG   C 2 .   ? -15.168 -43.966 -16.034 1.000 47.606  0 1   NAG   AbA C2  1 ? 
HETATM 1697 C  C3  . NAG   C 2 .   ? -15.995 -45.160 -15.559 1.000 55.436  0 1   NAG   AbA C3  1 ? 
HETATM 1698 C  C4  . NAG   C 2 .   ? -15.092 -46.315 -15.153 1.000 52.812  0 1   NAG   AbA C4  1 ? 
HETATM 1699 C  C5  . NAG   C 2 .   ? -14.016 -45.807 -14.200 1.000 50.925  0 1   NAG   AbA C5  1 ? 
HETATM 1700 C  C6  . NAG   C 2 .   ? -12.948 -46.821 -13.942 1.000 50.422  0 1   NAG   AbA C6  1 ? 
HETATM 1701 C  C7  . NAG   C 2 .   ? -15.890 -42.054 -17.397 1.000 47.908  0 1   NAG   AbA C7  1 ? 
HETATM 1702 C  C8  . NAG   C 2 .   ? -14.626 -42.130 -18.206 1.000 47.369  0 1   NAG   AbA C8  1 ? 
HETATM 1703 N  N2  . NAG   C 2 .   ? -15.995 -42.824 -16.313 1.000 48.869  0 1   NAG   AbA N2  1 ? 
HETATM 1704 O  O3  . NAG   C 2 .   ? -16.876 -45.512 -16.618 1.000 60.223  0 1   NAG   AbA O3  1 ? 
HETATM 1705 O  O4  . NAG   C 2 .   ? -15.831 -47.319 -14.461 1.000 61.249  0 1   NAG   AbA O4  1 ? 
HETATM 1706 O  O5  . NAG   C 2 .   ? -13.334 -44.665 -14.766 1.000 46.308  0 1   NAG   AbA O5  1 ? 
HETATM 1707 O  O6  . NAG   C 2 .   ? -12.309 -47.092 -15.186 1.000 54.056  0 1   NAG   AbA O6  1 ? 
HETATM 1708 O  O7  . NAG   C 2 .   ? -16.785 -41.271 -17.675 1.000 51.856  0 1   NAG   AbA O7  1 ? 
HETATM 1709 C  C1  . NAG   C 2 .   ? -16.138 -48.516 -15.219 1.000 70.261  0 2   NAG   AbA C1  1 ? 
HETATM 1710 C  C2  . NAG   C 2 .   ? -16.290 -49.653 -14.201 1.000 76.059  0 2   NAG   AbA C2  1 ? 
HETATM 1711 C  C3  . NAG   C 2 .   ? -16.995 -50.858 -14.819 1.000 79.504  0 2   NAG   AbA C3  1 ? 
HETATM 1712 C  C4  . NAG   C 2 .   ? -18.260 -50.453 -15.563 1.000 77.867  0 2   NAG   AbA C4  1 ? 
HETATM 1713 C  C5  . NAG   C 2 .   ? -17.903 -49.405 -16.612 1.000 76.914  0 2   NAG   AbA C5  1 ? 
HETATM 1714 C  C6  . NAG   C 2 .   ? -19.115 -48.939 -17.398 1.000 72.298  0 2   NAG   AbA C6  1 ? 
HETATM 1715 C  C7  . NAG   C 2 .   ? -14.696 -49.804 -12.328 1.000 78.459  0 2   NAG   AbA C7  1 ? 
HETATM 1716 C  C8  . NAG   C 2 .   ? -13.272 -50.089 -11.947 1.000 75.846  0 2   NAG   AbA C8  1 ? 
HETATM 1717 N  N2  . NAG   C 2 .   ? -15.045 -50.091 -13.591 1.000 73.114  0 2   NAG   AbA N2  1 ? 
HETATM 1718 O  O3  . NAG   C 2 .   ? -17.293 -51.773 -13.773 1.000 89.563  0 2   NAG   AbA O3  1 ? 
HETATM 1719 O  O4  . NAG   C 2 .   ? -18.828 -51.601 -16.198 1.000 77.720  0 2   NAG   AbA O4  1 ? 
HETATM 1720 O  O5  . NAG   C 2 .   ? -17.313 -48.251 -15.969 1.000 68.145  0 2   NAG   AbA O5  1 ? 
HETATM 1721 O  O6  . NAG   C 2 .   ? -19.356 -47.537 -17.268 1.000 74.227  0 2   NAG   AbA O6  1 ? 
HETATM 1722 O  O7  . NAG   C 2 .   ? -15.483 -49.301 -11.527 1.000 69.648  0 2   NAG   AbA O7  1 ? 
HETATM 1723 C  C4  . A1IJ0 D 3 .   ? -25.970 -21.354 2.915   1.000 36.933  0 301 A1IJ0 AAA C4  1 ? 
HETATM 1724 C  C5  . A1IJ0 D 3 .   ? -26.083 -22.661 2.352   1.000 38.923  0 301 A1IJ0 AAA C5  1 ? 
HETATM 1725 C  C6  . A1IJ0 D 3 .   ? -25.009 -23.569 2.508   1.000 40.507  0 301 A1IJ0 AAA C6  1 ? 
HETATM 1726 C  C8  . A1IJ0 D 3 .   ? -24.476 -24.988 0.770   1.000 34.073  0 301 A1IJ0 AAA C8  1 ? 
HETATM 1727 C  C10 . A1IJ0 D 3 .   ? -25.726 -27.005 0.456   1.000 36.931  0 301 A1IJ0 AAA C10 1 ? 
HETATM 1728 C  C13 . A1IJ0 D 3 .   ? -27.548 -27.636 2.172   1.000 43.324  0 301 A1IJ0 AAA C13 1 ? 
HETATM 1729 C  C17 . A1IJ0 D 3 .   ? -23.911 -26.508 -1.134  1.000 35.062  0 301 A1IJ0 AAA C17 1 ? 
HETATM 1730 C  C20 . A1IJ0 D 3 .   ? -25.421 -24.555 -3.980  1.000 27.387  0 301 A1IJ0 AAA C20 1 ? 
HETATM 1731 C  C21 . A1IJ0 D 3 .   ? -24.233 -24.175 -4.614  1.000 28.085  0 301 A1IJ0 AAA C21 1 ? 
HETATM 1732 C  C22 . A1IJ0 D 3 .   ? -22.990 -24.493 -4.127  1.000 28.082  0 301 A1IJ0 AAA C22 1 ? 
HETATM 1733 C  C24 . A1IJ0 D 3 .   ? -21.344 -25.621 -2.475  1.000 32.272  0 301 A1IJ0 AAA C24 1 ? 
HETATM 1734 C  C23 . A1IJ0 D 3 .   ? -22.768 -25.273 -2.991  1.000 29.959  0 301 A1IJ0 AAA C23 1 ? 
HETATM 1735 C  C25 . A1IJ0 D 3 .   ? -21.836 -23.954 -4.881  1.000 34.009  0 301 A1IJ0 AAA C25 1 ? 
HETATM 1736 F  F28 . A1IJ0 D 3 .   ? -22.311 -23.204 -5.871  1.000 36.128  0 301 A1IJ0 AAA F28 1 ? 
HETATM 1737 F  F26 . A1IJ0 D 3 .   ? -21.169 -23.186 -4.010  1.000 33.804  0 301 A1IJ0 AAA F26 1 ? 
HETATM 1738 F  F27 . A1IJ0 D 3 .   ? -21.000 -24.937 -5.364  1.000 36.675  0 301 A1IJ0 AAA F27 1 ? 
HETATM 1739 C  C19 . A1IJ0 D 3 .   ? -25.212 -25.317 -2.817  1.000 30.193  0 301 A1IJ0 AAA C19 1 ? 
HETATM 1740 C  C18 . A1IJ0 D 3 .   ? -23.928 -25.673 -2.354  1.000 30.580  0 301 A1IJ0 AAA C18 1 ? 
HETATM 1741 N  N9  . A1IJ0 D 3 .   ? -24.718 -26.149 0.025   1.000 37.168  0 301 A1IJ0 AAA N9  1 ? 
HETATM 1742 O  O29 . A1IJ0 D 3 .   ? -23.636 -24.278 0.336   1.000 25.477  0 301 A1IJ0 AAA O29 1 ? 
HETATM 1743 O  O16 . A1IJ0 D 3 .   ? -25.952 -27.988 -0.243  1.000 38.415  0 301 A1IJ0 AAA O16 1 ? 
HETATM 1744 C  C11 . A1IJ0 D 3 .   ? -26.462 -26.697 1.574   1.000 32.643  0 301 A1IJ0 AAA C11 1 ? 
HETATM 1745 O  O14 . A1IJ0 D 3 .   ? -28.148 -27.168 3.195   1.000 40.594  0 301 A1IJ0 AAA O14 1 ? 
HETATM 1746 O  O15 . A1IJ0 D 3 .   ? -27.564 -28.858 1.791   1.000 41.602  0 301 A1IJ0 AAA O15 1 ? 
HETATM 1747 C  C12 . A1IJ0 D 3 .   ? -26.184 -25.577 2.300   1.000 37.518  0 301 A1IJ0 AAA C12 1 ? 
HETATM 1748 N  N7  . A1IJ0 D 3 .   ? -25.196 -24.735 1.885   1.000 37.099  0 301 A1IJ0 AAA N7  1 ? 
HETATM 1749 N  N30 . A1IJ0 D 3 .   ? -26.783 -20.265 3.015   1.000 36.333  0 301 A1IJ0 AAA N30 1 ? 
HETATM 1750 C  C35 . A1IJ0 D 3 .   ? -28.168 -20.196 2.456   1.000 41.289  0 301 A1IJ0 AAA C35 1 ? 
HETATM 1751 C  C31 . A1IJ0 D 3 .   ? -26.145 -19.274 3.741   1.000 42.266  0 301 A1IJ0 AAA C31 1 ? 
HETATM 1752 O  O34 . A1IJ0 D 3 .   ? -26.553 -18.119 4.007   1.000 41.205  0 301 A1IJ0 AAA O34 1 ? 
HETATM 1753 N  N32 . A1IJ0 D 3 .   ? -24.934 -19.743 4.081   1.000 39.599  0 301 A1IJ0 AAA N32 1 ? 
HETATM 1754 C  C33 . A1IJ0 D 3 .   ? -23.851 -19.058 4.823   1.000 41.555  0 301 A1IJ0 AAA C33 1 ? 
HETATM 1755 C  C3  . A1IJ0 D 3 .   ? -24.797 -21.025 3.623   1.000 41.863  0 301 A1IJ0 AAA C3  1 ? 
HETATM 1756 C  C2  . A1IJ0 D 3 .   ? -23.750 -21.955 3.730   1.000 41.339  0 301 A1IJ0 AAA C2  1 ? 
HETATM 1757 C  C1  . A1IJ0 D 3 .   ? -23.812 -23.248 3.163   1.000 39.447  0 301 A1IJ0 AAA C1  1 ? 
HETATM 1758 ZN ZN  . ZN    E 4 .   ? -4.956  -38.876 -18.703 1.000 25.190  0 302 ZN    AAA ZN  1 ? 
HETATM 1759 O  O   . HOH   F 5 .   ? -19.210 -28.334 -0.923  1.000 50.980  0 401 HOH   AAA O   1 ? 
HETATM 1760 O  O   . HOH   F 5 .   ? -26.394 -22.123 -7.552  1.000 33.850  0 402 HOH   AAA O   1 ? 
HETATM 1761 O  O   . HOH   F 5 .   ? 3.536   -9.972  1.400   1.000 56.500  0 403 HOH   AAA O   1 ? 
HETATM 1762 O  O   . HOH   F 5 .   ? 9.615   -34.576 1.316   1.000 46.260  0 404 HOH   AAA O   1 ? 
HETATM 1763 O  O   . HOH   F 5 .   ? -10.470 -11.589 -15.495 1.000 50.070  0 405 HOH   AAA O   1 ? 
HETATM 1764 O  O   . HOH   F 5 .   ? 4.056   -37.718 1.621   1.000 38.940  0 406 HOH   AAA O   1 ? 
HETATM 1765 O  O   . HOH   F 5 .   ? -27.863 -32.942 -2.429  1.000 41.150  0 407 HOH   AAA O   1 ? 
HETATM 1766 O  O   . HOH   F 5 .   ? -16.898 -41.180 -8.095  1.000 52.510  0 408 HOH   AAA O   1 ? 
HETATM 1767 O  O   . HOH   F 5 .   ? -18.353 -38.493 -16.030 1.000 49.880  0 409 HOH   AAA O   1 ? 
HETATM 1768 O  O   . HOH   F 5 .   ? -26.701 -2.964  -6.735  1.000 47.980  0 410 HOH   AAA O   1 ? 
HETATM 1769 O  O   . HOH   F 5 .   ? 10.200  -29.689 -3.342  1.000 36.810  0 411 HOH   AAA O   1 ? 
HETATM 1770 O  O   . HOH   F 5 .   ? -7.861  -42.002 -15.493 1.000 40.020  0 412 HOH   AAA O   1 ? 
HETATM 1771 O  O   . HOH   F 5 .   ? 7.625   -22.299 -0.032  1.000 41.200  0 413 HOH   AAA O   1 ? 
HETATM 1772 O  O   . HOH   F 5 .   ? 4.042   -21.439 9.352   1.000 54.560  0 414 HOH   AAA O   1 ? 
HETATM 1773 O  O   . HOH   F 5 .   ? -8.188  -48.798 -17.994 1.000 51.580  0 415 HOH   AAA O   1 ? 
HETATM 1774 O  O   . HOH   F 5 .   ? -36.780 -25.842 -4.159  1.000 49.260  0 416 HOH   AAA O   1 ? 
HETATM 1775 O  O   . HOH   F 5 .   ? -22.185 -33.640 -18.048 1.000 55.080  0 417 HOH   AAA O   1 ? 
HETATM 1776 O  O   . HOH   F 5 .   ? -12.478 -24.100 -12.305 1.000 30.280  0 418 HOH   AAA O   1 ? 
HETATM 1777 O  O   . HOH   F 5 .   ? -17.344 -5.502  3.516   1.000 40.180  0 419 HOH   AAA O   1 ? 
HETATM 1778 O  O   . HOH   F 5 .   ? -25.292 -16.960 6.573   1.000 54.520  0 420 HOH   AAA O   1 ? 
HETATM 1779 O  O   . HOH   F 5 .   ? -33.330 -9.511  -0.280  1.000 37.860  0 421 HOH   AAA O   1 ? 
HETATM 1780 O  O   . HOH   F 5 .   ? -29.482 -30.688 -1.588  1.000 50.460  0 422 HOH   AAA O   1 ? 
HETATM 1781 O  O   . HOH   F 5 .   ? -7.525  -39.265 -13.961 1.000 25.140  0 423 HOH   AAA O   1 ? 
HETATM 1782 O  O   . HOH   F 5 .   ? -19.410 -2.381  -7.144  1.000 52.150  0 424 HOH   AAA O   1 ? 
HETATM 1783 O  O   . HOH   F 5 .   ? -14.799 -12.980 10.881  1.000 50.110  0 425 HOH   AAA O   1 ? 
HETATM 1784 O  O   . HOH   F 5 .   ? -29.664 -25.849 -10.571 1.000 35.950  0 426 HOH   AAA O   1 ? 
HETATM 1785 O  O   . HOH   F 5 .   ? 6.189   -21.501 -3.198  1.000 36.610  0 427 HOH   AAA O   1 ? 
HETATM 1786 O  O   . HOH   F 5 .   ? -21.604 -14.880 3.369   1.000 23.820  0 428 HOH   AAA O   1 ? 
HETATM 1787 O  O   . HOH   F 5 .   ? -10.794 -40.239 9.788   1.000 39.600  0 429 HOH   AAA O   1 ? 
HETATM 1788 O  O   . HOH   F 5 .   ? -1.744  -35.283 3.508   1.000 26.600  0 430 HOH   AAA O   1 ? 
HETATM 1789 O  O   . HOH   F 5 .   ? -8.007  -16.721 13.705  1.000 49.480  0 431 HOH   AAA O   1 ? 
HETATM 1790 O  O   . HOH   F 5 .   ? -23.210 -37.483 -11.048 1.000 41.860  0 432 HOH   AAA O   1 ? 
HETATM 1791 O  O   . HOH   F 5 .   ? -18.308 -17.238 1.420   1.000 24.260  0 433 HOH   AAA O   1 ? 
HETATM 1792 O  O   . HOH   F 5 .   ? -2.912  -29.646 -20.427 1.000 27.150  0 434 HOH   AAA O   1 ? 
HETATM 1793 O  O   . HOH   F 5 .   ? -0.370  -41.743 -8.537  1.000 40.820  0 435 HOH   AAA O   1 ? 
HETATM 1794 O  O   . HOH   F 5 .   ? -20.281 -37.108 -14.576 1.000 41.860  0 436 HOH   AAA O   1 ? 
HETATM 1795 O  O   . HOH   F 5 .   ? -6.555  -35.170 -23.188 1.000 36.130  0 437 HOH   AAA O   1 ? 
HETATM 1796 O  O   . HOH   F 5 .   ? -15.874 -16.042 1.023   1.000 24.080  0 438 HOH   AAA O   1 ? 
HETATM 1797 O  O   . HOH   F 5 .   ? -22.624 -22.031 -8.893  1.000 31.150  0 439 HOH   AAA O   1 ? 
HETATM 1798 O  O   . HOH   F 5 .   ? -1.642  -23.175 9.775   1.000 53.590  0 440 HOH   AAA O   1 ? 
HETATM 1799 O  O   . HOH   F 5 .   ? -13.045 -6.026  -2.221  1.000 47.530  0 441 HOH   AAA O   1 ? 
HETATM 1800 O  O   . HOH   F 5 .   ? 4.839   -35.155 -7.673  1.000 24.580  0 442 HOH   AAA O   1 ? 
HETATM 1801 O  O   . HOH   F 5 .   ? 2.462   -38.340 -1.931  1.000 47.840  0 443 HOH   AAA O   1 ? 
HETATM 1802 O  O   . HOH   F 5 .   ? -11.182 -6.436  -4.092  1.000 42.050  0 444 HOH   AAA O   1 ? 
HETATM 1803 O  O   . HOH   F 5 .   ? -9.554  -34.338 14.423  1.000 59.740  0 445 HOH   AAA O   1 ? 
HETATM 1804 O  O   . HOH   F 5 .   ? 8.569   -30.554 3.139   1.000 42.660  0 446 HOH   AAA O   1 ? 
HETATM 1805 O  O   . HOH   F 5 .   ? -6.665  -39.600 -5.369  1.000 42.980  0 447 HOH   AAA O   1 ? 
HETATM 1806 O  O   . HOH   F 5 .   ? -2.862  -39.479 1.758   1.000 39.350  0 448 HOH   AAA O   1 ? 
HETATM 1807 O  O   . HOH   F 5 .   ? 5.357   -17.209 -4.229  1.000 42.690  0 449 HOH   AAA O   1 ? 
HETATM 1808 O  O   . HOH   F 5 .   ? 6.180   -23.238 5.977   1.000 35.950  0 450 HOH   AAA O   1 ? 
HETATM 1809 O  O   . HOH   F 5 .   ? -33.446 -19.572 -19.646 1.000 31.960  0 451 HOH   AAA O   1 ? 
HETATM 1810 O  O   . HOH   F 5 .   ? -8.127  -6.251  0.549   1.000 48.890  0 452 HOH   AAA O   1 ? 
HETATM 1811 O  O   . HOH   F 5 .   ? -13.916 -31.141 7.578   1.000 52.990  0 453 HOH   AAA O   1 ? 
HETATM 1812 O  O   . HOH   F 5 .   ? -4.315  -30.891 -12.341 1.000 22.490  0 454 HOH   AAA O   1 ? 
HETATM 1813 O  O   . HOH   F 5 .   ? -29.890 -18.635 -5.319  1.000 24.210  0 455 HOH   AAA O   1 ? 
HETATM 1814 O  O   . HOH   F 5 .   ? -25.667 -15.623 3.447   1.000 25.160  0 456 HOH   AAA O   1 ? 
HETATM 1815 O  O   . HOH   F 5 .   ? -18.344 -12.895 -21.083 1.000 44.680  0 457 HOH   AAA O   1 ? 
HETATM 1816 O  O   . HOH   F 5 .   ? -5.601  -37.110 9.749   1.000 38.050  0 458 HOH   AAA O   1 ? 
HETATM 1817 O  O   . HOH   F 5 .   ? -28.982 -32.860 -12.954 1.000 48.350  0 459 HOH   AAA O   1 ? 
HETATM 1818 O  O   . HOH   F 5 .   ? -6.753  -36.472 -3.292  1.000 23.030  0 460 HOH   AAA O   1 ? 
HETATM 1819 O  O   . HOH   F 5 .   ? -11.498 -11.347 -7.776  1.000 27.890  0 461 HOH   AAA O   1 ? 
HETATM 1820 O  O   . HOH   F 5 .   ? -7.229  -38.920 -2.409  1.000 36.060  0 462 HOH   AAA O   1 ? 
HETATM 1821 O  O   . HOH   F 5 .   ? -31.979 -13.412 -15.067 1.000 29.490  0 463 HOH   AAA O   1 ? 
HETATM 1822 O  O   . HOH   F 5 .   ? -14.727 -9.991  9.238   1.000 56.600  0 464 HOH   AAA O   1 ? 
HETATM 1823 O  O   . HOH   F 5 .   ? 2.988   -41.761 -18.991 1.000 24.550  0 465 HOH   AAA O   1 ? 
HETATM 1824 O  O   . HOH   F 5 .   ? -6.052  -31.564 -22.651 1.000 32.350  0 466 HOH   AAA O   1 ? 
HETATM 1825 O  O   . HOH   F 5 .   ? -13.264 -25.005 8.209   1.000 31.510  0 467 HOH   AAA O   1 ? 
HETATM 1826 O  O   . HOH   F 5 .   ? -12.524 -38.586 7.182   1.000 28.800  0 468 HOH   AAA O   1 ? 
HETATM 1827 O  O   . HOH   F 5 .   ? -19.028 -32.101 -11.505 1.000 25.740  0 469 HOH   AAA O   1 ? 
HETATM 1828 O  O   . HOH   F 5 .   ? -21.279 -38.323 -4.219  1.000 41.820  0 470 HOH   AAA O   1 ? 
HETATM 1829 O  O   . HOH   F 5 .   ? -12.197 -40.304 -4.509  1.000 30.000  0 471 HOH   AAA O   1 ? 
HETATM 1830 O  O   . HOH   F 5 .   ? 1.490   -34.897 -13.880 1.000 21.340  0 472 HOH   AAA O   1 ? 
HETATM 1831 O  O   . HOH   F 5 .   ? -13.800 -27.629 8.145   1.000 37.210  0 473 HOH   AAA O   1 ? 
HETATM 1832 O  O   . HOH   F 5 .   ? -26.209 -31.628 -14.713 1.000 35.510  0 474 HOH   AAA O   1 ? 
HETATM 1833 O  O   . HOH   F 5 .   ? -33.342 -15.480 2.869   1.000 46.370  0 475 HOH   AAA O   1 ? 
HETATM 1834 O  O   . HOH   F 5 .   ? -24.279 -20.704 -9.658  1.000 37.870  0 476 HOH   AAA O   1 ? 
HETATM 1835 O  O   . HOH   F 5 .   ? -23.379 -39.233 -2.434  1.000 47.010  0 477 HOH   AAA O   1 ? 
HETATM 1836 O  O   . HOH   F 5 .   ? -15.885 -13.562 2.133   1.000 29.930  0 478 HOH   AAA O   1 ? 
HETATM 1837 O  O   . HOH   F 5 .   ? -27.575 -12.168 8.902   1.000 41.200  0 479 HOH   AAA O   1 ? 
HETATM 1838 O  O   . HOH   F 5 .   ? -4.710  -30.640 11.237  1.000 41.640  0 480 HOH   AAA O   1 ? 
HETATM 1839 O  O   . HOH   F 5 .   ? -20.243 -4.336  2.089   1.000 57.620  0 481 HOH   AAA O   1 ? 
HETATM 1840 O  O   . HOH   F 5 .   ? 5.861   -22.281 -7.997  1.000 34.520  0 482 HOH   AAA O   1 ? 
HETATM 1841 O  O   . HOH   F 5 .   ? -32.891 -19.717 -9.624  1.000 34.810  0 483 HOH   AAA O   1 ? 
HETATM 1842 O  O   . HOH   F 5 .   ? 0.752   -8.783  1.421   1.000 43.970  0 484 HOH   AAA O   1 ? 
HETATM 1843 O  O   . HOH   F 5 .   ? -3.865  -19.300 8.327   1.000 34.290  0 485 HOH   AAA O   1 ? 
HETATM 1844 O  O   . HOH   F 5 .   ? -20.866 -9.359  -5.886  1.000 25.650  0 486 HOH   AAA O   1 ? 
HETATM 1845 O  O   . HOH   F 5 .   ? 9.398   -21.326 -3.228  1.000 54.300  0 487 HOH   AAA O   1 ? 
HETATM 1846 O  O   . HOH   F 5 .   ? -6.777  -31.817 -13.707 1.000 22.970  0 488 HOH   AAA O   1 ? 
HETATM 1847 O  O   . HOH   F 5 .   ? -17.931 -36.942 6.666   1.000 46.720  0 489 HOH   AAA O   1 ? 
HETATM 1848 O  O   . HOH   F 5 .   ? -4.921  -32.761 -15.633 1.000 21.700  0 490 HOH   AAA O   1 ? 
HETATM 1849 O  O   . HOH   F 5 .   ? -9.128  -40.879 -6.320  1.000 45.900  0 491 HOH   AAA O   1 ? 
HETATM 1850 O  O   . HOH   F 5 .   ? -13.851 -35.849 6.383   1.000 47.130  0 492 HOH   AAA O   1 ? 
HETATM 1851 O  O   . HOH   F 5 .   ? -4.854  -37.367 4.828   1.000 39.700  0 493 HOH   AAA O   1 ? 
HETATM 1852 O  O   . HOH   F 5 .   ? -0.098  -44.801 -13.206 1.000 37.230  0 494 HOH   AAA O   1 ? 
HETATM 1853 O  O   . HOH   F 5 .   ? -17.018 -9.542  7.688   1.000 44.510  0 495 HOH   AAA O   1 ? 
HETATM 1854 O  O   . HOH   F 5 .   ? -16.586 -27.198 7.056   1.000 50.210  0 496 HOH   AAA O   1 ? 
HETATM 1855 O  O   . HOH   F 5 .   ? -7.816  -30.769 -16.328 1.000 24.530  0 497 HOH   AAA O   1 ? 
HETATM 1856 O  O   . HOH   F 5 .   ? -11.816 -23.882 -15.112 1.000 41.820  0 498 HOH   AAA O   1 ? 
HETATM 1857 O  O   . HOH   F 5 .   ? -32.145 -11.888 -4.249  1.000 29.250  0 499 HOH   AAA O   1 ? 
HETATM 1858 O  O   . HOH   F 5 .   ? -2.006  -23.979 -15.863 1.000 32.370  0 500 HOH   AAA O   1 ? 
HETATM 1859 O  O   . HOH   F 5 .   ? -22.277 -31.204 -15.382 1.000 31.650  0 501 HOH   AAA O   1 ? 
HETATM 1860 O  O   . HOH   F 5 .   ? -21.020 -10.342 -8.370  1.000 26.330  0 502 HOH   AAA O   1 ? 
HETATM 1861 O  O   . HOH   F 5 .   ? 2.563   -46.700 -15.371 1.000 21.010  0 503 HOH   AAA O   1 ? 
HETATM 1862 O  O   . HOH   F 5 .   ? -9.510  -19.787 10.741  1.000 33.220  0 504 HOH   AAA O   1 ? 
HETATM 1863 O  O   . HOH   F 5 .   ? -29.120 -16.057 4.579   1.000 34.190  0 505 HOH   AAA O   1 ? 
HETATM 1864 O  O   . HOH   F 5 .   ? -27.031 -20.283 -14.032 1.000 28.770  0 506 HOH   AAA O   1 ? 
HETATM 1865 O  O   . HOH   F 5 .   ? 3.033   -37.192 -14.277 1.000 26.870  0 507 HOH   AAA O   1 ? 
HETATM 1866 O  O   . HOH   F 5 .   ? -11.639 -19.080 11.730  1.000 51.510  0 508 HOH   AAA O   1 ? 
HETATM 1867 O  O   . HOH   F 5 .   ? -20.299 -34.039 -21.220 1.000 39.470  0 509 HOH   AAA O   1 ? 
HETATM 1868 O  O   . HOH   F 5 .   ? -14.936 -30.004 4.733   1.000 49.670  0 510 HOH   AAA O   1 ? 
HETATM 1869 O  O   . HOH   F 5 .   ? -10.725 -9.231  4.950   1.000 38.220  0 511 HOH   AAA O   1 ? 
HETATM 1870 O  O   . HOH   F 5 .   ? -14.422 -30.336 -7.457  1.000 21.860  0 512 HOH   AAA O   1 ? 
HETATM 1871 O  O   . HOH   F 5 .   ? -27.598 -21.458 -5.062  1.000 25.160  0 513 HOH   AAA O   1 ? 
HETATM 1872 O  O   . HOH   F 5 .   ? -3.762  -35.660 16.728  1.000 44.180  0 514 HOH   AAA O   1 ? 
HETATM 1873 O  O   . HOH   F 5 .   ? -12.900 -8.806  -7.850  1.000 30.040  0 515 HOH   AAA O   1 ? 
HETATM 1874 O  O   . HOH   F 5 .   ? -19.139 -26.188 -20.397 1.000 53.080  0 516 HOH   AAA O   1 ? 
HETATM 1875 O  O   . HOH   F 5 .   ? 6.150   -36.277 -10.077 1.000 38.820  0 517 HOH   AAA O   1 ? 
HETATM 1876 O  O   . HOH   F 5 .   ? 6.950   -27.328 0.273   1.000 29.770  0 518 HOH   AAA O   1 ? 
HETATM 1877 O  O   . HOH   F 5 .   ? -4.442  -15.721 -6.604  1.000 54.230  0 519 HOH   AAA O   1 ? 
HETATM 1878 O  O   . HOH   F 5 .   ? -5.163  -22.460 9.553   1.000 42.510  0 520 HOH   AAA O   1 ? 
HETATM 1879 O  O   . HOH   F 5 .   ? -32.802 -24.339 -0.796  1.000 35.290  0 521 HOH   AAA O   1 ? 
HETATM 1880 O  O   . HOH   F 5 .   ? -7.604  -27.367 9.527   1.000 34.420  0 522 HOH   AAA O   1 ? 
HETATM 1881 O  O   . HOH   F 5 .   ? -14.213 -27.517 -8.010  1.000 21.130  0 523 HOH   AAA O   1 ? 
HETATM 1882 O  O   . HOH   F 5 .   ? -16.308 -19.164 12.892  1.000 45.240  0 524 HOH   AAA O   1 ? 
HETATM 1883 O  O   . HOH   F 5 .   ? -19.253 -36.807 -21.515 1.000 50.830  0 525 HOH   AAA O   1 ? 
HETATM 1884 O  O   . HOH   F 5 .   ? -6.781  -37.338 2.728   1.000 28.540  0 526 HOH   AAA O   1 ? 
HETATM 1885 O  O   . HOH   F 5 .   ? 0.375   -27.578 -18.532 1.000 30.770  0 527 HOH   AAA O   1 ? 
HETATM 1886 O  O   . HOH   F 5 .   ? 1.273   -33.460 6.855   1.000 24.830  0 528 HOH   AAA O   1 ? 
HETATM 1887 O  O   . HOH   F 5 .   ? -5.483  -16.224 -12.354 1.000 39.580  0 529 HOH   AAA O   1 ? 
HETATM 1888 O  O   . HOH   F 5 .   ? 0.733   -41.398 -11.147 1.000 29.810  0 530 HOH   AAA O   1 ? 
HETATM 1889 O  O   . HOH   F 5 .   ? -6.409  -33.025 -10.474 1.000 21.290  0 531 HOH   AAA O   1 ? 
HETATM 1890 O  O   . HOH   F 5 .   ? -18.535 -12.878 9.639   1.000 43.440  0 532 HOH   AAA O   1 ? 
HETATM 1891 O  O   . HOH   F 5 .   ? -9.073  -33.319 -16.334 1.000 23.100  0 533 HOH   AAA O   1 ? 
HETATM 1892 O  O   . HOH   F 5 .   ? -16.586 -24.688 8.369   1.000 46.240  0 534 HOH   AAA O   1 ? 
HETATM 1893 O  O   . HOH   F 5 .   ? -11.982 -42.377 -0.470  1.000 35.830  0 535 HOH   AAA O   1 ? 
HETATM 1894 O  O   . HOH   F 5 .   ? -6.173  -34.541 16.473  1.000 55.640  0 536 HOH   AAA O   1 ? 
HETATM 1895 O  O   . HOH   F 5 .   ? -16.980 -23.748 -20.402 1.000 59.660  0 537 HOH   AAA O   1 ? 
HETATM 1896 O  O   . HOH   F 5 .   ? -6.343  -9.532  1.943   1.000 38.330  0 538 HOH   AAA O   1 ? 
HETATM 1897 O  O   . HOH   F 5 .   ? -31.740 -13.659 -7.967  1.000 22.980  0 539 HOH   AAA O   1 ? 
HETATM 1898 O  O   . HOH   F 5 .   ? -7.616  -10.630 4.199   1.000 35.760  0 540 HOH   AAA O   1 ? 
HETATM 1899 O  O   . HOH   F 5 .   ? -25.441 -18.593 -15.438 1.000 26.070  0 541 HOH   AAA O   1 ? 
HETATM 1900 O  O   . HOH   F 5 .   ? -26.838 -26.664 -19.435 1.000 46.650  0 542 HOH   AAA O   1 ? 
HETATM 1901 O  O   . HOH   F 5 .   ? 3.414   -32.870 -1.360  1.000 35.510  0 543 HOH   AAA O   1 ? 
HETATM 1902 O  O   . HOH   F 5 .   ? -32.099 -14.924 -18.761 1.000 41.420  0 544 HOH   AAA O   1 ? 
HETATM 1903 O  O   . HOH   F 5 .   ? -20.917 -24.693 1.258   1.000 35.470  0 545 HOH   AAA O   1 ? 
HETATM 1904 O  O   . HOH   F 5 .   ? -8.130  -22.258 -17.981 1.000 49.500  0 546 HOH   AAA O   1 ? 
HETATM 1905 O  O   . HOH   F 5 .   ? -33.107 -22.525 -12.387 1.000 44.390  0 547 HOH   AAA O   1 ? 
HETATM 1906 O  O   . HOH   F 5 .   ? -27.269 -9.096  -12.772 1.000 28.030  0 548 HOH   AAA O   1 ? 
HETATM 1907 O  O   . HOH   F 5 .   ? -11.194 -40.579 5.926   1.000 33.270  0 549 HOH   AAA O   1 ? 
HETATM 1908 O  O   . HOH   F 5 .   ? 3.110   -27.234 -16.621 1.000 30.990  0 550 HOH   AAA O   1 ? 
HETATM 1909 O  O   . HOH   F 5 .   ? -36.863 -20.181 -0.865  1.000 54.090  0 551 HOH   AAA O   1 ? 
HETATM 1910 O  O   . HOH   F 5 .   ? -19.786 -40.064 -12.833 1.000 39.390  0 552 HOH   AAA O   1 ? 
HETATM 1911 O  O   . HOH   F 5 .   ? -9.632  -43.494 -6.949  1.000 55.180  0 553 HOH   AAA O   1 ? 
HETATM 1912 O  O   . HOH   F 5 .   ? -12.512 -7.644  5.172   1.000 44.240  0 554 HOH   AAA O   1 ? 
HETATM 1913 O  O   . HOH   F 5 .   ? -11.497 -33.713 12.789  1.000 49.020  0 555 HOH   AAA O   1 ? 
HETATM 1914 O  O   . HOH   F 5 .   ? 6.661   -33.931 -6.291  1.000 33.950  0 556 HOH   AAA O   1 ? 
HETATM 1915 O  O   . HOH   F 5 .   ? -23.297 -9.163  4.769   1.000 45.130  0 557 HOH   AAA O   1 ? 
HETATM 1916 O  O   . HOH   F 5 .   ? -9.823  -40.412 -3.722  1.000 54.230  0 558 HOH   AAA O   1 ? 
HETATM 1917 O  O   . HOH   F 5 .   ? 1.318   -39.890 -7.022  1.000 26.400  0 559 HOH   AAA O   1 ? 
HETATM 1918 O  O   . HOH   F 5 .   ? -14.414 -32.929 -5.244  1.000 48.870  0 560 HOH   AAA O   1 ? 
HETATM 1919 O  O   . HOH   F 5 .   ? -32.224 -18.711 -0.042  1.000 33.460  0 561 HOH   AAA O   1 ? 
HETATM 1920 O  O   . HOH   F 5 .   ? -29.431 -12.211 -16.071 1.000 37.480  0 562 HOH   AAA O   1 ? 
HETATM 1921 O  O   . HOH   F 5 .   ? -20.224 -36.068 -18.571 1.000 53.290  0 563 HOH   AAA O   1 ? 
HETATM 1922 O  O   . HOH   F 5 .   ? 8.670   -26.265 2.567   1.000 50.650  0 564 HOH   AAA O   1 ? 
HETATM 1923 O  O   . HOH   F 5 .   ? -30.074 -23.560 1.443   1.000 31.170  0 565 HOH   AAA O   1 ? 
HETATM 1924 O  O   . HOH   F 5 .   ? -30.657 -30.838 -9.610  1.000 39.700  0 566 HOH   AAA O   1 ? 
HETATM 1925 O  O   . HOH   F 5 .   ? -11.918 -42.601 2.258   1.000 34.830  0 567 HOH   AAA O   1 ? 
HETATM 1926 O  O   . HOH   F 5 .   ? 3.655   -36.011 -0.998  1.000 28.370  0 568 HOH   AAA O   1 ? 
HETATM 1927 O  O   . HOH   F 5 .   ? 3.576   -23.579 -13.844 1.000 32.220  0 569 HOH   AAA O   1 ? 
HETATM 1928 O  O   . HOH   F 5 .   ? -27.051 -20.421 -20.907 1.000 59.400  0 570 HOH   AAA O   1 ? 
HETATM 1929 O  O   . HOH   F 5 .   ? -25.326 -18.364 -18.125 1.000 40.280  0 571 HOH   AAA O   1 ? 
HETATM 1930 O  O   . HOH   F 5 .   ? -21.730 -24.301 -19.951 1.000 34.260  0 572 HOH   AAA O   1 ? 
HETATM 1931 O  O   . HOH   F 5 .   ? -6.761  -29.188 -24.081 1.000 50.820  0 573 HOH   AAA O   1 ? 
HETATM 1932 O  O   . HOH   F 5 .   ? -13.620 -35.860 -22.469 1.000 45.540  0 574 HOH   AAA O   1 ? 
HETATM 1933 O  O   . HOH   F 5 .   ? -8.885  -39.845 -16.893 1.000 27.360  0 575 HOH   AAA O   1 ? 
HETATM 1934 O  O   . HOH   F 5 .   ? -12.386 -28.977 -22.278 1.000 48.960  0 576 HOH   AAA O   1 ? 
HETATM 1935 O  O   . HOH   F 5 .   ? -20.204 -40.943 -10.725 1.000 53.840  0 577 HOH   AAA O   1 ? 
HETATM 1936 O  O   . HOH   F 5 .   ? -9.913  -26.102 -23.584 1.000 44.480  0 578 HOH   AAA O   1 ? 
HETATM 1937 O  O   . HOH   F 5 .   ? -6.106  -19.705 -17.691 1.000 56.460  0 579 HOH   AAA O   1 ? 
HETATM 1938 O  O   . HOH   F 5 .   ? -6.717  -19.833 11.010  1.000 50.100  0 580 HOH   AAA O   1 ? 
HETATM 1939 O  O   . HOH   F 5 .   ? -22.972 -5.834  0.194   1.000 23.840  0 581 HOH   AAA O   1 ? 
HETATM 1940 O  O   . HOH   F 5 .   ? 9.456   -28.556 -0.490  1.000 45.250  0 582 HOH   AAA O   1 ? 
HETATM 1941 O  O   . HOH   F 5 .   ? 1.173   -34.792 -18.645 1.000 25.570  0 583 HOH   AAA O   1 ? 
HETATM 1942 O  O   . HOH   F 5 .   ? -19.044 -8.417  -8.967  1.000 34.870  0 584 HOH   AAA O   1 ? 
HETATM 1943 O  O   . HOH   F 5 .   ? -7.459  -46.178 -9.307  1.000 47.970  0 585 HOH   AAA O   1 ? 
HETATM 1944 O  O   . HOH   F 5 .   ? -25.464 -14.657 10.788  1.000 59.840  0 586 HOH   AAA O   1 ? 
HETATM 1945 O  O   . HOH   F 5 .   ? -27.181 -16.313 -18.972 1.000 29.660  0 587 HOH   AAA O   1 ? 
HETATM 1946 O  O   . HOH   F 5 .   ? 3.926   -34.237 -19.971 1.000 37.140  0 588 HOH   AAA O   1 ? 
HETATM 1947 O  O   . HOH   F 5 .   ? 3.445   -37.102 -6.176  1.000 38.840  0 589 HOH   AAA O   1 ? 
HETATM 1948 O  O   . HOH   F 5 .   ? 9.952   -31.510 -5.232  1.000 38.220  0 590 HOH   AAA O   1 ? 
HETATM 1949 O  O   . HOH   F 5 .   ? -31.039 -34.606 -9.275  1.000 42.270  0 591 HOH   AAA O   1 ? 
HETATM 1950 O  O   . HOH   F 5 .   ? -39.947 -16.535 -17.549 1.000 40.120  0 592 HOH   AAA O   1 ? 
HETATM 1951 O  O   . HOH   F 5 .   ? -3.151  -16.137 8.590   1.000 41.020  0 593 HOH   AAA O   1 ? 
HETATM 1952 O  O   . HOH   F 5 .   ? -23.351 -22.174 7.326   1.000 53.210  0 594 HOH   AAA O   1 ? 
HETATM 1953 O  O   . HOH   F 5 .   ? -14.933 -34.054 -23.836 1.000 61.200  0 595 HOH   AAA O   1 ? 
HETATM 1954 O  O   . HOH   F 5 .   ? -3.083  -31.277 13.598  1.000 43.890  0 596 HOH   AAA O   1 ? 
HETATM 1955 O  O   . HOH   F 5 .   ? -8.686  -38.740 16.780  1.000 44.050  0 597 HOH   AAA O   1 ? 
HETATM 1956 O  O   . HOH   F 5 .   ? -7.515  -39.909 2.285   1.000 39.580  0 598 HOH   AAA O   1 ? 
HETATM 1957 O  O   . HOH   F 5 .   ? -20.991 -7.278  6.295   1.000 42.740  0 599 HOH   AAA O   1 ? 
HETATM 1958 O  O   . HOH   F 5 .   ? -12.548 -42.194 -6.518  1.000 44.480  0 600 HOH   AAA O   1 ? 
HETATM 1959 O  O   . HOH   F 5 .   ? -30.643 -23.984 -18.351 1.000 47.190  0 601 HOH   AAA O   1 ? 
HETATM 1960 O  O   . HOH   F 5 .   ? -1.238  -35.021 6.174   1.000 25.360  0 602 HOH   AAA O   1 ? 
HETATM 1961 O  O   . HOH   F 5 .   ? -1.109  -37.672 2.528   1.000 32.400  0 603 HOH   AAA O   1 ? 
HETATM 1962 O  O   . HOH   F 5 .   ? -11.166 -30.791 11.252  1.000 51.070  0 604 HOH   AAA O   1 ? 
HETATM 1963 O  O   . HOH   F 5 .   ? 5.342   -23.712 8.605   1.000 47.350  0 605 HOH   AAA O   1 ? 
HETATM 1964 O  O   . HOH   F 5 .   ? -26.760 -1.962  -9.579  1.000 50.680  0 606 HOH   AAA O   1 ? 
HETATM 1965 O  O   . HOH   F 5 .   ? -29.498 -11.811 -18.521 1.000 37.680  0 607 HOH   AAA O   1 ? 
HETATM 1966 O  O   . HOH   F 5 .   ? -13.445 -28.062 -19.581 1.000 28.290  0 608 HOH   AAA O   1 ? 
HETATM 1967 O  O   . HOH   F 5 .   ? -4.915  -37.812 12.315  1.000 36.320  0 609 HOH   AAA O   1 ? 
HETATM 1968 O  O   . HOH   F 5 .   ? -5.130  -27.803 10.541  1.000 37.750  0 610 HOH   AAA O   1 ? 
HETATM 1969 O  O   . HOH   F 5 .   ? -24.494 -2.990  -8.120  1.000 50.720  0 611 HOH   AAA O   1 ? 
HETATM 1970 O  O   . HOH   F 5 .   ? 5.973   -15.096 -2.130  1.000 55.760  0 612 HOH   AAA O   1 ? 
HETATM 1971 O  O   . HOH   F 5 .   ? -35.544 -24.982 -0.460  1.000 46.370  0 613 HOH   AAA O   1 ? 
HETATM 1972 O  O   . HOH   F 5 .   ? -6.200  -47.802 -15.594 1.000 41.350  0 614 HOH   AAA O   1 ? 
HETATM 1973 O  O   . HOH   F 5 .   ? -7.814  -25.017 9.604   1.000 57.420  0 615 HOH   AAA O   1 ? 
HETATM 1974 O  O   . HOH   F 5 .   ? 0.610   -38.582 -0.027  1.000 57.060  0 616 HOH   AAA O   1 ? 
HETATM 1975 O  O   . HOH   F 5 .   ? -12.343 -28.300 10.433  1.000 56.000  0 617 HOH   AAA O   1 ? 
HETATM 1976 O  O   . HOH   F 5 .   ? -24.147 -16.347 12.132  1.000 56.360  0 618 HOH   AAA O   1 ? 
HETATM 1977 O  O   . HOH   F 5 .   ? -9.681  -28.102 11.153  1.000 55.760  0 619 HOH   AAA O   1 ? 
HETATM 1978 O  O   . HOH   F 5 .   ? 2.061   -15.184 7.340   1.000 51.270  0 620 HOH   AAA O   1 ? 
HETATM 1979 O  O   . HOH   F 5 .   ? 3.965   -12.716 7.025   1.000 53.180  0 621 HOH   AAA O   1 ? 
HETATM 1980 O  O   . HOH   F 5 .   ? -9.788  -31.710 12.938  1.000 51.290  0 622 HOH   AAA O   1 ? 
HETATM 1981 O  O   . HOH   F 5 .   ? 5.418   -19.256 -2.650  1.000 43.190  0 623 HOH   AAA O   1 ? 
HETATM 1982 O  O   . HOH   F 5 .   ? -22.306 -35.959 -16.110 1.000 53.290  0 624 HOH   AAA O   1 ? 
HETATM 1983 O  O   . HOH   F 5 .   ? -14.760 -27.921 -21.051 1.000 61.300  0 625 HOH   AAA O   1 ? 
HETATM 1984 O  O   . HOH   F 5 .   ? 0.013   -43.859 -4.945  1.000 61.300  0 626 HOH   AAA O   1 ? 
HETATM 1985 O  O   . HOH   F 5 .   ? -32.672 -8.567  -8.016  1.000 46.360  0 627 HOH   AAA O   1 ? 
HETATM 1986 O  O   . HOH   F 5 .   ? -2.163  -37.256 7.605   1.000 26.540  0 628 HOH   AAA O   1 ? 
HETATM 1987 O  O   . HOH   F 5 .   ? -31.080 -33.256 -11.349 1.000 52.460  0 629 HOH   AAA O   1 ? 
HETATM 1988 O  O   . HOH   F 5 .   ? -18.920 -18.731 14.924  1.000 50.440  0 630 HOH   AAA O   1 ? 
HETATM 1989 O  O   . HOH   F 5 .   ? 0.827   -38.693 4.248   1.000 32.590  0 631 HOH   AAA O   1 ? 
HETATM 1990 O  O   . HOH   F 5 .   ? -32.303 -24.574 -10.802 1.000 39.320  0 632 HOH   AAA O   1 ? 
HETATM 1991 O  O   . HOH   F 5 .   ? -18.898 -27.428 4.510   1.000 54.170  0 633 HOH   AAA O   1 ? 
HETATM 1992 O  O   . HOH   F 5 .   ? 2.570   -39.797 2.282   1.000 41.240  0 634 HOH   AAA O   1 ? 
HETATM 1993 O  O   . HOH   F 5 .   ? 6.429   -33.216 -18.932 1.000 40.380  0 635 HOH   AAA O   1 ? 
HETATM 1994 O  O   . HOH   F 5 .   ? -24.227 -33.109 -15.989 1.000 50.800  0 636 HOH   AAA O   1 ? 
HETATM 1995 O  O   . HOH   F 5 .   ? -3.513  -41.009 0.115   1.000 40.050  0 637 HOH   AAA O   1 ? 
HETATM 1996 O  O   . HOH   F 5 .   ? -3.301  -31.373 -22.674 1.000 36.350  0 638 HOH   AAA O   1 ? 
HETATM 1997 O  O   . HOH   F 5 .   ? -32.982 -4.863  -9.875  1.000 50.380  0 639 HOH   AAA O   1 ? 
HETATM 1998 O  O   . HOH   F 5 .   ? -19.010 -34.810 -3.721  1.000 47.370  0 640 HOH   AAA O   1 ? 
HETATM 1999 O  O   . HOH   F 5 .   ? 3.203   -24.672 -15.945 1.000 53.210  0 641 HOH   AAA O   1 ? 
HETATM 2000 O  O   . HOH   F 5 .   ? -8.173  -47.700 -13.548 1.000 50.650  0 642 HOH   AAA O   1 ? 
HETATM 2001 O  O   . HOH   F 5 .   ? -37.059 -19.643 -15.392 1.000 58.040  0 643 HOH   AAA O   1 ? 
HETATM 2002 O  O   . HOH   F 5 .   ? -1.276  -26.011 11.110  1.000 50.720  0 644 HOH   AAA O   1 ? 
HETATM 2003 O  O   . HOH   F 5 .   ? -2.590  -20.669 10.019  1.000 54.000  0 645 HOH   AAA O   1 ? 
HETATM 2004 O  O   . HOH   F 5 .   ? -20.558 -25.182 3.548   1.000 41.630  0 646 HOH   AAA O   1 ? 
HETATM 2005 O  O   . HOH   F 5 .   ? -21.737 -24.181 6.104   1.000 40.500  0 647 HOH   AAA O   1 ? 
HETATM 2006 O  O   . HOH   F 5 .   ? -0.882  -42.624 -1.820  1.000 61.480  0 648 HOH   AAA O   1 ? 
HETATM 2007 O  O   . HOH   F 5 .   ? -7.821  -10.662 -16.279 1.000 53.800  0 649 HOH   AAA O   1 ? 
HETATM 2008 O  O   . HOH   F 5 .   ? 1.430   -41.636 -4.822  1.000 49.940  0 650 HOH   AAA O   1 ? 
HETATM 2009 O  O   . HOH   F 5 .   ? -23.398 -1.820  -5.138  1.000 39.810  0 651 HOH   AAA O   1 ? 
HETATM 2010 O  O   . HOH   F 5 .   ? -36.507 -27.071 -7.060  1.000 58.340  0 652 HOH   AAA O   1 ? 
HETATM 2011 O  O   . HOH   F 5 .   ? -0.220  -25.178 -17.553 1.000 33.320  0 653 HOH   AAA O   1 ? 
HETATM 2012 O  O   . HOH   F 5 .   ? -2.990  -27.262 -21.570 1.000 40.910  0 654 HOH   AAA O   1 ? 
HETATM 2013 O  O   . HOH   F 5 .   ? -30.864 -28.246 -10.622 1.000 38.430  0 655 HOH   AAA O   1 ? 
HETATM 2014 O  O   . HOH   F 5 .   ? -34.264 -29.926 -4.357  1.000 48.360  0 656 HOH   AAA O   1 ? 
HETATM 2015 O  O   . HOH   F 5 .   ? -19.268 -29.201 2.678   1.000 39.500  0 657 HOH   AAA O   1 ? 
HETATM 2016 O  O   . HOH   F 5 .   ? -33.402 -30.703 -8.294  1.000 46.400  0 658 HOH   AAA O   1 ? 
HETATM 2017 O  O   . HOH   F 5 .   ? -3.692  -23.183 -17.680 1.000 49.900  0 659 HOH   AAA O   1 ? 
HETATM 2018 O  O   . HOH   F 5 .   ? 7.003   -35.306 -4.017  1.000 31.100  0 660 HOH   AAA O   1 ? 
HETATM 2019 O  O   . HOH   F 5 .   ? -2.456  -30.677 -25.081 1.000 42.790  0 661 HOH   AAA O   1 ? 
HETATM 2020 O  O   . HOH   F 5 .   ? -34.583 -32.570 -4.627  1.000 52.720  0 662 HOH   AAA O   1 ? 
HETATM 2021 O  O   . HOH   F 5 .   ? -2.244  -24.781 -20.088 1.000 53.110  0 663 HOH   AAA O   1 ? 
HETATM 2022 O  O   . HOH   F 5 .   ? -34.859 -31.366 -11.076 1.000 63.340  0 664 HOH   AAA O   1 ? 
HETATM 2023 O  O   . HOH   F 5 .   ? 13.801  -19.864 6.870   1.000 52.800  0 665 HOH   AAA O   1 ? 
# 
