data_9GC1
# 
_entry.id   9GC1 
# 
_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   9GC1         pdb_00009gc1 10.2210/pdb9gc1/pdb 
WWPDB D_1292140744 ?            ?                   
# 
_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                        9GC1 
_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 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              martina.schaefer@nuvisan.com 
_pdbx_contact_author.name_first         Martina 
_pdbx_contact_author.name_last          Schaefer 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-3640-6435 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Schaefer, M.'  1 0000-0003-3640-6435 
'Fuerstner, C.' 2 0000-0001-7370-5341 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Med.Chem. 
_citation.journal_id_ASTM           JMCMAR 
_citation.journal_id_CSD            0151 
_citation.journal_id_ISSN           0022-2623 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
;Discovery and Preclinical Characterization of Fulacimstat (BAY 1142524), a Potent and Selective Chymase Inhibitor As a New Profibrinolytic Approach for Safe Thrombus Resolution.
;
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.jmedchem.4c01819 
_citation.pdbx_database_id_PubMed   39541507 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Furstner, C.'        1  0000-0001-7370-5341 
primary 'Ackerstaff, J.'      2  ?                   
primary 'Meier, H.'           3  ?                   
primary 'Straub, A.'          4  ?                   
primary 'Mittendorf, J.'      5  ?                   
primary 'Schamberger, J.'     6  ?                   
primary 'Schafer, M.'         7  ?                   
primary 'Borngen, K.'         8  ?                   
primary 'Jorissen, H.'        9  ?                   
primary 'Zubov, D.'           10 ?                   
primary 'Zimmermann, K.'      11 ?                   
primary 'Tersteegen, A.'      12 ?                   
primary 'Geiss, V.'           13 ?                   
primary 'Hartmann, E.'        14 ?                   
primary 'Albrecht-Kupper, B.' 15 ?                   
primary 
;D'Orleans-Juste, P.
;
16 ?                   
primary 'Lapointe, C.'        17 ?                   
primary 'Vincent, L.'         18 ?                   
primary 'Heitmeier, S.'       19 ?                   
primary 'Tinel, H.'           20 ?                   
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man Chymase 25019.871 1   3.4.21.39 'F127K, V208A, R235Q' ? ? 
2 branched    man '2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose' 424.401   1   ? ? ? ? 
3 non-polymer syn 2-acetamido-2-deoxy-beta-D-glucopyranose 221.208   1   ?         ?                     ? ? 
4 non-polymer syn 
'1-(4-methoxyphenyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid' 434.365   
1   ?         ?                     ? ? 
5 non-polymer syn 'ZINC ION' 65.409    2   ?         ?                     ? ? 
6 water       nat water 18.015    211 ?         ?                     ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Alpha-chymase,Mast cell protease I' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPK
YNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQRNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDF
DHNLQLCVGNPRKTKSAFKGDSGGPLLCAGAAQGIVSYGRSDAKPPAVFTRISHYQPWINQILQAN
;
_entity_poly.pdbx_seq_one_letter_code_can   
;IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPK
YNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQRNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDF
DHNLQLCVGNPRKTKSAFKGDSGGPLLCAGAAQGIVSYGRSDAKPPAVFTRISHYQPWINQILQAN
;
_entity_poly.pdbx_strand_id                 AAA 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 2-acetamido-2-deoxy-beta-D-glucopyranose                                                                                NAG   
4 '1-(4-methoxyphenyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid' A1IJO 
5 'ZINC ION'                                                                                                              ZN    
6 water                                                                                                                   HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ILE n 
1 2   ILE n 
1 3   GLY n 
1 4   GLY n 
1 5   THR n 
1 6   GLU n 
1 7   CYS n 
1 8   LYS n 
1 9   PRO n 
1 10  HIS n 
1 11  SER n 
1 12  ARG n 
1 13  PRO n 
1 14  TYR n 
1 15  MET n 
1 16  ALA n 
1 17  TYR n 
1 18  LEU n 
1 19  GLU n 
1 20  ILE n 
1 21  VAL n 
1 22  THR n 
1 23  SER n 
1 24  ASN n 
1 25  GLY n 
1 26  PRO n 
1 27  SER n 
1 28  LYS n 
1 29  PHE n 
1 30  CYS n 
1 31  GLY n 
1 32  GLY n 
1 33  PHE n 
1 34  LEU n 
1 35  ILE n 
1 36  ARG n 
1 37  ARG n 
1 38  ASN n 
1 39  PHE n 
1 40  VAL n 
1 41  LEU n 
1 42  THR n 
1 43  ALA n 
1 44  ALA n 
1 45  HIS n 
1 46  CYS n 
1 47  ALA n 
1 48  GLY n 
1 49  ARG n 
1 50  SER n 
1 51  ILE n 
1 52  THR n 
1 53  VAL n 
1 54  THR n 
1 55  LEU n 
1 56  GLY n 
1 57  ALA n 
1 58  HIS n 
1 59  ASN n 
1 60  ILE n 
1 61  THR n 
1 62  GLU n 
1 63  GLU n 
1 64  GLU n 
1 65  ASP n 
1 66  THR n 
1 67  TRP n 
1 68  GLN n 
1 69  LYS n 
1 70  LEU n 
1 71  GLU n 
1 72  VAL n 
1 73  ILE n 
1 74  LYS n 
1 75  GLN n 
1 76  PHE n 
1 77  ARG n 
1 78  HIS n 
1 79  PRO n 
1 80  LYS n 
1 81  TYR n 
1 82  ASN n 
1 83  THR n 
1 84  SER n 
1 85  THR n 
1 86  LEU n 
1 87  HIS n 
1 88  HIS n 
1 89  ASP n 
1 90  ILE n 
1 91  MET n 
1 92  LEU n 
1 93  LEU n 
1 94  LYS n 
1 95  LEU n 
1 96  LYS n 
1 97  GLU n 
1 98  LYS n 
1 99  ALA n 
1 100 SER n 
1 101 LEU n 
1 102 THR n 
1 103 LEU n 
1 104 ALA n 
1 105 VAL n 
1 106 GLY n 
1 107 THR n 
1 108 LEU n 
1 109 PRO n 
1 110 PHE n 
1 111 PRO n 
1 112 SER n 
1 113 GLN n 
1 114 ARG n 
1 115 ASN n 
1 116 PHE n 
1 117 VAL n 
1 118 PRO n 
1 119 PRO n 
1 120 GLY n 
1 121 ARG n 
1 122 MET n 
1 123 CYS n 
1 124 ARG n 
1 125 VAL n 
1 126 ALA n 
1 127 GLY n 
1 128 TRP n 
1 129 GLY n 
1 130 ARG n 
1 131 THR n 
1 132 GLY n 
1 133 VAL n 
1 134 LEU n 
1 135 LYS n 
1 136 PRO n 
1 137 GLY n 
1 138 SER n 
1 139 ASP n 
1 140 THR n 
1 141 LEU n 
1 142 GLN n 
1 143 GLU n 
1 144 VAL n 
1 145 LYS n 
1 146 LEU n 
1 147 ARG n 
1 148 LEU n 
1 149 MET n 
1 150 ASP n 
1 151 PRO n 
1 152 GLN n 
1 153 ALA n 
1 154 CYS n 
1 155 SER n 
1 156 HIS n 
1 157 PHE n 
1 158 ARG n 
1 159 ASP n 
1 160 PHE n 
1 161 ASP n 
1 162 HIS n 
1 163 ASN n 
1 164 LEU n 
1 165 GLN n 
1 166 LEU n 
1 167 CYS n 
1 168 VAL n 
1 169 GLY n 
1 170 ASN n 
1 171 PRO n 
1 172 ARG n 
1 173 LYS n 
1 174 THR n 
1 175 LYS n 
1 176 SER n 
1 177 ALA n 
1 178 PHE n 
1 179 LYS n 
1 180 GLY n 
1 181 ASP n 
1 182 SER n 
1 183 GLY n 
1 184 GLY n 
1 185 PRO n 
1 186 LEU n 
1 187 LEU n 
1 188 CYS n 
1 189 ALA n 
1 190 GLY n 
1 191 ALA n 
1 192 ALA n 
1 193 GLN n 
1 194 GLY n 
1 195 ILE n 
1 196 VAL n 
1 197 SER n 
1 198 TYR n 
1 199 GLY n 
1 200 ARG n 
1 201 SER n 
1 202 ASP n 
1 203 ALA n 
1 204 LYS n 
1 205 PRO n 
1 206 PRO n 
1 207 ALA n 
1 208 VAL n 
1 209 PHE n 
1 210 THR n 
1 211 ARG n 
1 212 ILE n 
1 213 SER n 
1 214 HIS n 
1 215 TYR n 
1 216 GLN n 
1 217 PRO n 
1 218 TRP n 
1 219 ILE n 
1 220 ASN n 
1 221 GLN n 
1 222 ILE n 
1 223 LEU n 
1 224 GLN n 
1 225 ALA n 
1 226 ASN n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   226 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'CMA1, CYH, CYM' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Insect cell expression vector pTIE1' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     266783 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_pdbx_entity_branch.entity_id   2 
_pdbx_entity_branch.type        oligosaccharide 
# 
loop_
_pdbx_entity_branch_descriptor.ordinal 
_pdbx_entity_branch_descriptor.entity_id 
_pdbx_entity_branch_descriptor.descriptor 
_pdbx_entity_branch_descriptor.type 
_pdbx_entity_branch_descriptor.program 
_pdbx_entity_branch_descriptor.program_version 
1 2 DGlcpNAcb1-4DGlcpNAcb1-ROH                            'Glycam Condensed Sequence' GMML       1.0   
2 2 'WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1' WURCS                       PDB2Glycan 1.1.0 
3 2 '[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}'       LINUCS                      PDB-CARE   ?     
# 
_pdbx_entity_branch_link.link_id                    1 
_pdbx_entity_branch_link.entity_id                  2 
_pdbx_entity_branch_link.entity_branch_list_num_1   2 
_pdbx_entity_branch_link.comp_id_1                  NAG 
_pdbx_entity_branch_link.atom_id_1                  C1 
_pdbx_entity_branch_link.leaving_atom_id_1          O1 
_pdbx_entity_branch_link.entity_branch_list_num_2   1 
_pdbx_entity_branch_link.comp_id_2                  NAG 
_pdbx_entity_branch_link.atom_id_2                  O4 
_pdbx_entity_branch_link.leaving_atom_id_2          HO4 
_pdbx_entity_branch_link.value_order                sing 
_pdbx_entity_branch_link.details                    ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1IJO non-polymer                  . 
'1-(4-methoxyphenyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid' ? 
'C21 H17 F3 N2 O5' 434.365 
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 ALA AAA . n 
A 1 146 LEU 146 160 160 LEU LEU AAA . n 
A 1 147 ARG 147 161 161 ARG ARG AAA . n 
A 1 148 LEU 148 162 162 LEU LEU AAA . n 
A 1 149 MET 149 163 163 MET MET AAA . n 
A 1 150 ASP 150 164 164 ASP ASP AAA . n 
A 1 151 PRO 151 165 165 PRO PRO AAA . n 
A 1 152 GLN 152 166 166 GLN GLN AAA . n 
A 1 153 ALA 153 167 167 ALA ALA AAA . n 
A 1 154 CYS 154 168 168 CYS CYS AAA . n 
A 1 155 SER 155 169 169 SER SER AAA . n 
A 1 156 HIS 156 172 172 HIS HIS AAA . n 
A 1 157 PHE 157 173 173 PHE PHE AAA . n 
A 1 158 ARG 158 174 174 ARG ARG AAA . n 
A 1 159 ASP 159 175 175 ASP ASP AAA . n 
A 1 160 PHE 160 176 176 PHE PHE AAA . n 
A 1 161 ASP 161 177 177 ASP ASP AAA . n 
A 1 162 HIS 162 177 177 HIS HIS AAA A n 
A 1 163 ASN 163 178 178 ASN ASN AAA . n 
A 1 164 LEU 164 179 179 LEU LEU AAA . n 
A 1 165 GLN 165 180 180 GLN GLN AAA . n 
A 1 166 LEU 166 181 181 LEU LEU AAA . n 
A 1 167 CYS 167 182 182 CYS CYS AAA . n 
A 1 168 VAL 168 183 183 VAL VAL AAA . n 
A 1 169 GLY 169 184 184 GLY GLY AAA . n 
A 1 170 ASN 170 185 185 ASN ASN AAA . n 
A 1 171 PRO 171 185 185 PRO PRO AAA A n 
A 1 172 ARG 172 185 185 ARG ARG AAA B n 
A 1 173 LYS 173 186 186 LYS LYS AAA . n 
A 1 174 THR 174 187 187 THR THR AAA . n 
A 1 175 LYS 175 188 188 LYS LYS AAA . n 
A 1 176 SER 176 189 189 SER SER AAA . n 
A 1 177 ALA 177 190 190 ALA ALA AAA . n 
A 1 178 PHE 178 191 191 PHE PHE AAA . n 
A 1 179 LYS 179 192 192 LYS LYS AAA . n 
A 1 180 GLY 180 193 193 GLY GLY AAA . n 
A 1 181 ASP 181 194 194 ASP ASP AAA . n 
A 1 182 SER 182 195 195 SER SER AAA . n 
A 1 183 GLY 183 196 196 GLY GLY AAA . n 
A 1 184 GLY 184 197 197 GLY GLY AAA . n 
A 1 185 PRO 185 198 198 PRO PRO AAA . n 
A 1 186 LEU 186 199 199 LEU LEU AAA . n 
A 1 187 LEU 187 200 200 LEU LEU AAA . n 
A 1 188 CYS 188 201 201 CYS CYS AAA . n 
A 1 189 ALA 189 202 202 ALA ALA AAA . n 
A 1 190 GLY 190 207 207 GLY GLY AAA . n 
A 1 191 ALA 191 208 208 ALA ALA AAA . n 
A 1 192 ALA 192 209 209 ALA ALA AAA . n 
A 1 193 GLN 193 210 210 GLN GLN AAA . n 
A 1 194 GLY 194 211 211 GLY GLY AAA . n 
A 1 195 ILE 195 212 212 ILE ILE AAA . n 
A 1 196 VAL 196 213 213 VAL VAL AAA . n 
A 1 197 SER 197 214 214 SER SER AAA . n 
A 1 198 TYR 198 215 215 TYR TYR AAA . n 
A 1 199 GLY 199 216 216 GLY GLY AAA . n 
A 1 200 ARG 200 217 217 ARG ARG AAA . n 
A 1 201 SER 201 218 218 SER SER AAA . n 
A 1 202 ASP 202 219 219 ASP ASP AAA . n 
A 1 203 ALA 203 220 220 ALA ALA AAA . n 
A 1 204 LYS 204 221 221 LYS LYS AAA . n 
A 1 205 PRO 205 224 224 PRO PRO AAA . n 
A 1 206 PRO 206 225 225 PRO PRO AAA . n 
A 1 207 ALA 207 226 226 ALA ALA AAA . n 
A 1 208 VAL 208 227 227 VAL VAL AAA . n 
A 1 209 PHE 209 228 228 PHE PHE AAA . n 
A 1 210 THR 210 229 229 THR THR AAA . n 
A 1 211 ARG 211 230 230 ARG ARG AAA . n 
A 1 212 ILE 212 231 231 ILE ILE AAA . n 
A 1 213 SER 213 232 232 SER SER AAA . n 
A 1 214 HIS 214 233 233 HIS HIS AAA . n 
A 1 215 TYR 215 234 234 TYR TYR AAA . n 
A 1 216 GLN 216 235 235 GLN GLN AAA . n 
A 1 217 PRO 217 236 236 PRO PRO AAA . n 
A 1 218 TRP 218 237 237 TRP TRP AAA . n 
A 1 219 ILE 219 238 238 ILE ILE AAA . n 
A 1 220 ASN 220 239 239 ASN ASN AAA . n 
A 1 221 GLN 221 240 240 GLN GLN AAA . n 
A 1 222 ILE 222 241 241 ILE ILE AAA . n 
A 1 223 LEU 223 242 242 LEU LEU AAA . n 
A 1 224 GLN 224 243 243 GLN GLN AAA . n 
A 1 225 ALA 225 244 244 ALA ALA AAA . n 
A 1 226 ASN 226 245 245 ASN ASN AAA . n 
# 
loop_
_pdbx_branch_scheme.asym_id 
_pdbx_branch_scheme.entity_id 
_pdbx_branch_scheme.mon_id 
_pdbx_branch_scheme.num 
_pdbx_branch_scheme.pdb_asym_id 
_pdbx_branch_scheme.pdb_mon_id 
_pdbx_branch_scheme.pdb_seq_num 
_pdbx_branch_scheme.auth_asym_id 
_pdbx_branch_scheme.auth_mon_id 
_pdbx_branch_scheme.auth_seq_num 
_pdbx_branch_scheme.hetero 
B 2 NAG 1 AbA NAG 1 AbA NAG 301 n 
B 2 NAG 2 AbA NAG 2 AcA NAG 303 n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IJO 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IJO 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 3 NAG   1   301 302  NAG   NAG AAA . 
D 4 A1IJO 1   302 1001 A1IJO LIG AAA . 
E 5 ZN    1   303 1    ZN    ZN  AAA . 
F 5 ZN    1   304 2    ZN    ZN  AAA . 
G 6 HOH   1   401 79   HOH   HOH AAA . 
G 6 HOH   2   402 192  HOH   HOH AAA . 
G 6 HOH   3   403 185  HOH   HOH AAA . 
G 6 HOH   4   404 37   HOH   HOH AAA . 
G 6 HOH   5   405 189  HOH   HOH AAA . 
G 6 HOH   6   406 208  HOH   HOH AAA . 
G 6 HOH   7   407 152  HOH   HOH AAA . 
G 6 HOH   8   408 147  HOH   HOH AAA . 
G 6 HOH   9   409 168  HOH   HOH AAA . 
G 6 HOH   10  410 90   HOH   HOH AAA . 
G 6 HOH   11  411 78   HOH   HOH AAA . 
G 6 HOH   12  412 96   HOH   HOH AAA . 
G 6 HOH   13  413 163  HOH   HOH AAA . 
G 6 HOH   14  414 46   HOH   HOH AAA . 
G 6 HOH   15  415 206  HOH   HOH AAA . 
G 6 HOH   16  416 91   HOH   HOH AAA . 
G 6 HOH   17  417 44   HOH   HOH AAA . 
G 6 HOH   18  418 130  HOH   HOH AAA . 
G 6 HOH   19  419 135  HOH   HOH AAA . 
G 6 HOH   20  420 172  HOH   HOH AAA . 
G 6 HOH   21  421 65   HOH   HOH AAA . 
G 6 HOH   22  422 207  HOH   HOH AAA . 
G 6 HOH   23  423 17   HOH   HOH AAA . 
G 6 HOH   24  424 133  HOH   HOH AAA . 
G 6 HOH   25  425 205  HOH   HOH AAA . 
G 6 HOH   26  426 201  HOH   HOH AAA . 
G 6 HOH   27  427 94   HOH   HOH AAA . 
G 6 HOH   28  428 179  HOH   HOH AAA . 
G 6 HOH   29  429 194  HOH   HOH AAA . 
G 6 HOH   30  430 197  HOH   HOH AAA . 
G 6 HOH   31  431 182  HOH   HOH AAA . 
G 6 HOH   32  432 31   HOH   HOH AAA . 
G 6 HOH   33  433 4    HOH   HOH AAA . 
G 6 HOH   34  434 26   HOH   HOH AAA . 
G 6 HOH   35  435 101  HOH   HOH AAA . 
G 6 HOH   36  436 25   HOH   HOH AAA . 
G 6 HOH   37  437 6    HOH   HOH AAA . 
G 6 HOH   38  438 53   HOH   HOH AAA . 
G 6 HOH   39  439 84   HOH   HOH AAA . 
G 6 HOH   40  440 9    HOH   HOH AAA . 
G 6 HOH   41  441 10   HOH   HOH AAA . 
G 6 HOH   42  442 43   HOH   HOH AAA . 
G 6 HOH   43  443 13   HOH   HOH AAA . 
G 6 HOH   44  444 40   HOH   HOH AAA . 
G 6 HOH   45  445 97   HOH   HOH AAA . 
G 6 HOH   46  446 3    HOH   HOH AAA . 
G 6 HOH   47  447 103  HOH   HOH AAA . 
G 6 HOH   48  448 159  HOH   HOH AAA . 
G 6 HOH   49  449 49   HOH   HOH AAA . 
G 6 HOH   50  450 195  HOH   HOH AAA . 
G 6 HOH   51  451 146  HOH   HOH AAA . 
G 6 HOH   52  452 20   HOH   HOH AAA . 
G 6 HOH   53  453 158  HOH   HOH AAA . 
G 6 HOH   54  454 161  HOH   HOH AAA . 
G 6 HOH   55  455 165  HOH   HOH AAA . 
G 6 HOH   56  456 57   HOH   HOH AAA . 
G 6 HOH   57  457 191  HOH   HOH AAA . 
G 6 HOH   58  458 32   HOH   HOH AAA . 
G 6 HOH   59  459 39   HOH   HOH AAA . 
G 6 HOH   60  460 38   HOH   HOH AAA . 
G 6 HOH   61  461 14   HOH   HOH AAA . 
G 6 HOH   62  462 129  HOH   HOH AAA . 
G 6 HOH   63  463 199  HOH   HOH AAA . 
G 6 HOH   64  464 202  HOH   HOH AAA . 
G 6 HOH   65  465 8    HOH   HOH AAA . 
G 6 HOH   66  466 117  HOH   HOH AAA . 
G 6 HOH   67  467 141  HOH   HOH AAA . 
G 6 HOH   68  468 122  HOH   HOH AAA . 
G 6 HOH   69  469 51   HOH   HOH AAA . 
G 6 HOH   70  470 77   HOH   HOH AAA . 
G 6 HOH   71  471 162  HOH   HOH AAA . 
G 6 HOH   72  472 173  HOH   HOH AAA . 
G 6 HOH   73  473 204  HOH   HOH AAA . 
G 6 HOH   74  474 92   HOH   HOH AAA . 
G 6 HOH   75  475 36   HOH   HOH AAA . 
G 6 HOH   76  476 87   HOH   HOH AAA . 
G 6 HOH   77  477 33   HOH   HOH AAA . 
G 6 HOH   78  478 200  HOH   HOH AAA . 
G 6 HOH   79  479 1    HOH   HOH AAA . 
G 6 HOH   80  480 47   HOH   HOH AAA . 
G 6 HOH   81  481 18   HOH   HOH AAA . 
G 6 HOH   82  482 56   HOH   HOH AAA . 
G 6 HOH   83  483 64   HOH   HOH AAA . 
G 6 HOH   84  484 34   HOH   HOH AAA . 
G 6 HOH   85  485 107  HOH   HOH AAA . 
G 6 HOH   86  486 62   HOH   HOH AAA . 
G 6 HOH   87  487 66   HOH   HOH AAA . 
G 6 HOH   88  488 22   HOH   HOH AAA . 
G 6 HOH   89  489 190  HOH   HOH AAA . 
G 6 HOH   90  490 63   HOH   HOH AAA . 
G 6 HOH   91  491 80   HOH   HOH AAA . 
G 6 HOH   92  492 42   HOH   HOH AAA . 
G 6 HOH   93  493 83   HOH   HOH AAA . 
G 6 HOH   94  494 108  HOH   HOH AAA . 
G 6 HOH   95  495 21   HOH   HOH AAA . 
G 6 HOH   96  496 24   HOH   HOH AAA . 
G 6 HOH   97  497 186  HOH   HOH AAA . 
G 6 HOH   98  498 74   HOH   HOH AAA . 
G 6 HOH   99  499 28   HOH   HOH AAA . 
G 6 HOH   100 500 16   HOH   HOH AAA . 
G 6 HOH   101 501 132  HOH   HOH AAA . 
G 6 HOH   102 502 15   HOH   HOH AAA . 
G 6 HOH   103 503 160  HOH   HOH AAA . 
G 6 HOH   104 504 48   HOH   HOH AAA . 
G 6 HOH   105 505 27   HOH   HOH AAA . 
G 6 HOH   106 506 12   HOH   HOH AAA . 
G 6 HOH   107 507 106  HOH   HOH AAA . 
G 6 HOH   108 508 35   HOH   HOH AAA . 
G 6 HOH   109 509 61   HOH   HOH AAA . 
G 6 HOH   110 510 170  HOH   HOH AAA . 
G 6 HOH   111 511 85   HOH   HOH AAA . 
G 6 HOH   112 512 210  HOH   HOH AAA . 
G 6 HOH   113 513 89   HOH   HOH AAA . 
G 6 HOH   114 514 59   HOH   HOH AAA . 
G 6 HOH   115 515 23   HOH   HOH AAA . 
G 6 HOH   116 516 98   HOH   HOH AAA . 
G 6 HOH   117 517 100  HOH   HOH AAA . 
G 6 HOH   118 518 70   HOH   HOH AAA . 
G 6 HOH   119 519 2    HOH   HOH AAA . 
G 6 HOH   120 520 137  HOH   HOH AAA . 
G 6 HOH   121 521 54   HOH   HOH AAA . 
G 6 HOH   122 522 68   HOH   HOH AAA . 
G 6 HOH   123 523 157  HOH   HOH AAA . 
G 6 HOH   124 524 114  HOH   HOH AAA . 
G 6 HOH   125 525 88   HOH   HOH AAA . 
G 6 HOH   126 526 193  HOH   HOH AAA . 
G 6 HOH   127 527 187  HOH   HOH AAA . 
G 6 HOH   128 528 29   HOH   HOH AAA . 
G 6 HOH   129 529 131  HOH   HOH AAA . 
G 6 HOH   130 530 5    HOH   HOH AAA . 
G 6 HOH   131 531 52   HOH   HOH AAA . 
G 6 HOH   132 532 134  HOH   HOH AAA . 
G 6 HOH   133 533 111  HOH   HOH AAA . 
G 6 HOH   134 534 128  HOH   HOH AAA . 
G 6 HOH   135 535 67   HOH   HOH AAA . 
G 6 HOH   136 536 19   HOH   HOH AAA . 
G 6 HOH   137 537 76   HOH   HOH AAA . 
G 6 HOH   138 538 73   HOH   HOH AAA . 
G 6 HOH   139 539 136  HOH   HOH AAA . 
G 6 HOH   140 540 198  HOH   HOH AAA . 
G 6 HOH   141 541 209  HOH   HOH AAA . 
G 6 HOH   142 542 115  HOH   HOH AAA . 
G 6 HOH   143 543 11   HOH   HOH AAA . 
G 6 HOH   144 544 121  HOH   HOH AAA . 
G 6 HOH   145 545 184  HOH   HOH AAA . 
G 6 HOH   146 546 138  HOH   HOH AAA . 
G 6 HOH   147 547 112  HOH   HOH AAA . 
G 6 HOH   148 548 143  HOH   HOH AAA . 
G 6 HOH   149 549 102  HOH   HOH AAA . 
G 6 HOH   150 550 183  HOH   HOH AAA . 
G 6 HOH   151 551 30   HOH   HOH AAA . 
G 6 HOH   152 552 211  HOH   HOH AAA . 
G 6 HOH   153 553 126  HOH   HOH AAA . 
G 6 HOH   154 554 113  HOH   HOH AAA . 
G 6 HOH   155 555 71   HOH   HOH AAA . 
G 6 HOH   156 556 50   HOH   HOH AAA . 
G 6 HOH   157 557 99   HOH   HOH AAA . 
G 6 HOH   158 558 120  HOH   HOH AAA . 
G 6 HOH   159 559 55   HOH   HOH AAA . 
G 6 HOH   160 560 178  HOH   HOH AAA . 
G 6 HOH   161 561 125  HOH   HOH AAA . 
G 6 HOH   162 562 123  HOH   HOH AAA . 
G 6 HOH   163 563 119  HOH   HOH AAA . 
G 6 HOH   164 564 145  HOH   HOH AAA . 
G 6 HOH   165 565 116  HOH   HOH AAA . 
G 6 HOH   166 566 174  HOH   HOH AAA . 
G 6 HOH   167 567 181  HOH   HOH AAA . 
G 6 HOH   168 568 110  HOH   HOH AAA . 
G 6 HOH   169 569 127  HOH   HOH AAA . 
G 6 HOH   170 570 81   HOH   HOH AAA . 
G 6 HOH   171 571 139  HOH   HOH AAA . 
G 6 HOH   172 572 151  HOH   HOH AAA . 
G 6 HOH   173 573 155  HOH   HOH AAA . 
G 6 HOH   174 574 72   HOH   HOH AAA . 
G 6 HOH   175 575 140  HOH   HOH AAA . 
G 6 HOH   176 576 118  HOH   HOH AAA . 
G 6 HOH   177 577 150  HOH   HOH AAA . 
G 6 HOH   178 578 124  HOH   HOH AAA . 
G 6 HOH   179 579 86   HOH   HOH AAA . 
G 6 HOH   180 580 164  HOH   HOH AAA . 
G 6 HOH   181 581 188  HOH   HOH AAA . 
G 6 HOH   182 582 75   HOH   HOH AAA . 
G 6 HOH   183 583 180  HOH   HOH AAA . 
G 6 HOH   184 584 82   HOH   HOH AAA . 
G 6 HOH   185 585 105  HOH   HOH AAA . 
G 6 HOH   186 586 104  HOH   HOH AAA . 
G 6 HOH   187 587 58   HOH   HOH AAA . 
G 6 HOH   188 588 93   HOH   HOH AAA . 
G 6 HOH   189 589 176  HOH   HOH AAA . 
G 6 HOH   190 590 41   HOH   HOH AAA . 
G 6 HOH   191 591 203  HOH   HOH AAA . 
G 6 HOH   192 592 177  HOH   HOH AAA . 
G 6 HOH   193 593 109  HOH   HOH AAA . 
G 6 HOH   194 594 144  HOH   HOH AAA . 
G 6 HOH   195 595 69   HOH   HOH AAA . 
G 6 HOH   196 596 169  HOH   HOH AAA . 
G 6 HOH   197 597 166  HOH   HOH AAA . 
G 6 HOH   198 598 196  HOH   HOH AAA . 
G 6 HOH   199 599 142  HOH   HOH AAA . 
G 6 HOH   200 600 149  HOH   HOH AAA . 
G 6 HOH   201 601 7    HOH   HOH AAA . 
G 6 HOH   202 602 156  HOH   HOH AAA . 
G 6 HOH   203 603 95   HOH   HOH AAA . 
G 6 HOH   204 604 45   HOH   HOH AAA . 
G 6 HOH   205 605 154  HOH   HOH AAA . 
G 6 HOH   206 606 153  HOH   HOH AAA . 
G 6 HOH   207 607 148  HOH   HOH AAA . 
G 6 HOH   208 608 167  HOH   HOH AAA . 
G 6 HOH   209 609 175  HOH   HOH AAA . 
G 6 HOH   210 610 171  HOH   HOH AAA . 
G 6 HOH   211 611 60   HOH   HOH AAA . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 AAA LYS 159 ? CG ? A LYS 145 CG 
2 1 Y 1 AAA LYS 159 ? CD ? A LYS 145 CD 
3 1 Y 1 AAA LYS 159 ? CE ? A LYS 145 CE 
4 1 Y 1 AAA LYS 159 ? NZ ? A LYS 145 NZ 
# 
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                     9GC1 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     74.098 
_cell.length_a_esd                 ? 
_cell.length_b                     74.098 
_cell.length_b_esd                 ? 
_cell.length_c                     49.509 
_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                         9GC1 
_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                   9GC1 
_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             2.72 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          54.72 
_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         2009-03-20 
_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                                       9GC1 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.97 
_reflns.d_resolution_low                               29.67 
_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                                     588899 
_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                           92.22 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                10.31 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          6.1598 
_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                              0.120 
_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                                    1.97 
_reflns_shell.d_res_low                                     2.08 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.57 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             17031 
_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                               8.67 
_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                          71.04 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.51 
_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]                            -0.012 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.012 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.023 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               28.286 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.945 
_refine.correlation_coeff_Fo_to_Fc_free          0.910 
_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                                 9GC1 
_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                            1.987 
_refine.ls_d_res_low                             29.663 
_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                     17609 
_refine.ls_number_reflns_R_free                  907 
_refine.ls_number_reflns_R_work                  16702 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    94.216 
_refine.ls_percent_reflns_R_free                 5.151 
_refine.ls_R_factor_all                          0.176 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2143 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1740 
_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                       0.168 
_refine.pdbx_overall_ESU_R_Free                  0.151 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1662 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         75 
_refine_hist.number_atoms_solvent             211 
_refine_hist.number_atoms_total               1948 
_refine_hist.d_res_high                       1.987 
_refine_hist.d_res_low                        29.663 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.012  0.012  1780 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 1.551  1.702  2410 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 7.054  5.000  213  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 30.941 20.833 84   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.624 15.000 290  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 18.784 15.000 13   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.074  0.200  236  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.015  0.020  1317 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.216  0.200  823  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.317  0.200  1192 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.167  0.200  157  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.062  0.200  1    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.215  0.200  31   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.191  0.200  16   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 0.047  0.200  2    ? r_symmetry_metal_ion_refined   ? ? 
'X-RAY DIFFRACTION' ? 1.894  2.400  858  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.698  3.590  1069 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.235  2.991  922  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.091  4.314  1341 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 7.074  35.922 2743 ? 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' 1.987 2.039  1360 . 54 948  73.6765 . 0.226 . . 0.226 . . . . . 0.202 . 20 . 0.919 0.915 0.234 
'X-RAY DIFFRACTION' 2.039 2.094  1334 . 64 1191 94.0780 . 0.197 . . 0.196 . . . . . 0.174 . 20 . 0.925 0.938 0.213 
'X-RAY DIFFRACTION' 2.094 2.155  1313 . 59 1154 92.3839 . 0.176 . . 0.173 . . . . . 0.152 . 20 . 0.935 0.923 0.224 
'X-RAY DIFFRACTION' 2.155 2.221  1258 . 62 1141 95.6280 . 0.192 . . 0.189 . . . . . 0.166 . 20 . 0.927 0.917 0.233 
'X-RAY DIFFRACTION' 2.221 2.293  1211 . 66 1069 93.7242 . 0.193 . . 0.187 . . . . . 0.165 . 20 . 0.921 0.888 0.284 
'X-RAY DIFFRACTION' 2.293 2.373  1180 . 49 1067 94.5763 . 0.186 . . 0.181 . . . . . 0.157 . 20 . 0.932 0.874 0.300 
'X-RAY DIFFRACTION' 2.373 2.462  1149 . 56 1040 95.3873 . 0.171 . . 0.171 . . . . . 0.145 . 20 . 0.948 0.947 0.182 
'X-RAY DIFFRACTION' 2.462 2.562  1090 . 51 989  95.4128 . 0.178 . . 0.177 . . . . . 0.153 . 20 . 0.941 0.934 0.206 
'X-RAY DIFFRACTION' 2.562 2.675  1049 . 54 956  96.2822 . 0.184 . . 0.181 . . . . . 0.159 . 20 . 0.932 0.933 0.223 
'X-RAY DIFFRACTION' 2.675 2.804  1008 . 59 915  96.6270 . 0.179 . . 0.176 . . . . . 0.150 . 20 . 0.940 0.914 0.229 
'X-RAY DIFFRACTION' 2.804 2.954  965  . 48 877  95.8549 . 0.178 . . 0.176 . . . . . 0.153 . 20 . 0.949 0.930 0.210 
'X-RAY DIFFRACTION' 2.954 3.132  919  . 49 838  96.5180 . 0.167 . . 0.167 . . . . . 0.152 . 20 . 0.954 0.965 0.165 
'X-RAY DIFFRACTION' 3.132 3.345  860  . 37 798  97.0930 . 0.163 . . 0.161 . . . . . 0.147 . 20 . 0.957 0.953 0.197 
'X-RAY DIFFRACTION' 3.345 3.609  798  . 46 735  97.8697 . 0.170 . . 0.169 . . . . . 0.156 . 20 . 0.956 0.951 0.188 
'X-RAY DIFFRACTION' 3.609 3.948  737  . 38 685  98.1004 . 0.157 . . 0.157 . . . . . 0.147 . 20 . 0.963 0.964 0.160 
'X-RAY DIFFRACTION' 3.948 4.404  677  . 37 628  98.2275 . 0.144 . . 0.140 . . . . . 0.132 . 20 . 0.970 0.946 0.227 
'X-RAY DIFFRACTION' 4.404 5.067  606  . 19 573  97.6898 . 0.144 . . 0.145 . . . . . 0.140 . 20 . 0.967 0.975 0.120 
'X-RAY DIFFRACTION' 5.067 6.161  524  . 18 500  98.8550 . 0.185 . . 0.182 . . . . . 0.168 . 20 . 0.958 0.932 0.263 
'X-RAY DIFFRACTION' 6.161 8.531  391  . 22 364  98.7212 . 0.222 . . 0.222 . . . . . 0.203 . 20 . 0.927 0.928 0.229 
'X-RAY DIFFRACTION' 8.531 29.663 254  . 19 234  99.6063 . 0.232 . . 0.222 . . . . . 0.227 . 20 . 0.913 0.842 0.354 
# 
_struct.entry_id                     9GC1 
_struct.title                        'CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH COMPOUND8' 
_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        9GC1 
_struct_keywords.text            'SERINE PROTEASE, GLYCOSYLATED, MAST CELLS, SECRETED, HYDROLASE, HYDROLASE INHIBITOR COMPLEX' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
F N N 5 ? 
G N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    CMA1_HUMAN 
_struct_ref.pdbx_db_accession          P23946 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPK
YNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQFNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDF
DHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
;
_struct_ref.pdbx_align_begin           22 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9GC1 
_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 9GC1 ARG AAA 114 ? UNP P23946 PHE 135 'engineered mutation' 127 1 
1 9GC1 ALA AAA 191 ? UNP P23946 VAL 212 'engineered mutation' 208 2 
1 9GC1 GLN AAA 216 ? UNP P23946 ARG 237 'engineered mutation' 235 3 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_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)' 780   ? 
1 MORE         -50   ? 
1 'SSA (A^2)'  10730 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G 
# 
_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 ? ? ? ? ? ? ? 2.052 ? ? 
disulf2 disulf ?    ? A CYS 123 SG  ? ? ? 1_555 A CYS 188 SG ? ? AAA CYS 136 AAA CYS 201 1_555 ? ? ? ? ? ? ? 2.019 ? ? 
disulf3 disulf ?    ? A CYS 154 SG  ? ? ? 1_555 A CYS 167 SG ? ? AAA CYS 168 AAA CYS 182 1_555 ? ? ? ? ? ? ? 2.074 ? ? 
covale1 covale one  ? A ASN 59  ND2 ? ? ? 1_555 B NAG .   C1 ? ? AAA ASN 72  AbA NAG 1   1_555 ? ? ? ? ? ? ? 1.434 ? 
N-Glycosylation 
covale2 covale one  ? A ASN 82  ND2 ? ? ? 1_555 C NAG .   C1 ? ? AAA ASN 95  AAA NAG 301 1_555 ? ? ? ? ? ? ? 1.436 ? 
N-Glycosylation 
covale3 covale both ? B NAG .   O4  ? ? ? 1_555 B NAG .   C1 ? ? AbA NAG 1   AbA NAG 2   1_555 ? ? ? ? ? ? ? 1.431 ? ? 
metalc1 metalc ?    ? A CYS 7   SG  ? ? ? 1_555 F ZN  .   ZN ? ? AAA CYS 22  AAA ZN  304 1_555 ? ? ? ? ? ? ? 2.446 ? ? 
metalc2 metalc ?    ? A HIS 10  NE2 ? ? ? 1_555 E ZN  .   ZN ? ? AAA HIS 25  AAA ZN  303 1_555 ? ? ? ? ? ? ? 2.164 ? ? 
metalc3 metalc ?    ? A GLU 64  OE2 ? ? ? 1_555 E ZN  .   ZN ? ? AAA GLU 78  AAA ZN  303 1_555 ? ? ? ? ? ? ? 1.958 ? ? 
metalc4 metalc ?    ? A GLU 71  OE2 ? ? ? 1_555 E ZN  .   ZN ? ? AAA GLU 84  AAA ZN  303 2_564 ? ? ? ? ? ? ? 1.971 ? ? 
metalc5 metalc ?    ? A LYS 96  NZ  ? ? ? 1_555 E ZN  .   ZN ? ? AAA LYS 109 AAA ZN  303 2_564 ? ? ? ? ? ? ? 2.016 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 NE2 ? A HIS 10 ? AAA HIS 25 ? 1_555 ZN ? E ZN . ? AAA ZN 303 ? 1_555 OE2 ? A GLU 64 ? AAA GLU 78  ? 1_555 116.8 ? 
2 NE2 ? A HIS 10 ? AAA HIS 25 ? 1_555 ZN ? E ZN . ? AAA ZN 303 ? 1_555 OE2 ? A GLU 71 ? AAA GLU 84  ? 1_555 66.4  ? 
3 OE2 ? A GLU 64 ? AAA GLU 78 ? 1_555 ZN ? E ZN . ? AAA ZN 303 ? 1_555 OE2 ? A GLU 71 ? AAA GLU 84  ? 1_555 50.9  ? 
4 NE2 ? A HIS 10 ? AAA HIS 25 ? 1_555 ZN ? E ZN . ? AAA ZN 303 ? 1_555 NZ  ? A LYS 96 ? AAA LYS 109 ? 1_555 67.3  ? 
5 OE2 ? A GLU 64 ? AAA GLU 78 ? 1_555 ZN ? E ZN . ? AAA ZN 303 ? 1_555 NZ  ? A LYS 96 ? AAA LYS 109 ? 1_555 51.6  ? 
6 OE2 ? A GLU 71 ? AAA GLU 84 ? 1_555 ZN ? E ZN . ? AAA ZN 303 ? 1_555 NZ  ? A LYS 96 ? AAA LYS 109 ? 1_555 6.9   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 NAG B .   ? ASN A 59  ? NAG AbA 1   ? 1_555 ASN AAA 72  ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate       
2 NAG C .   ? ASN A 82  ? NAG AAA 301 ? 1_555 ASN AAA 95  ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate       
3 CYS A 30  ? CYS A 46  ? CYS AAA 42  ? 1_555 CYS AAA 58  ? 1_555 SG SG  .   . .   None            'Disulfide bridge' 
4 CYS A 123 ? CYS A 188 ? CYS AAA 136 ? 1_555 CYS AAA 201 ? 1_555 SG SG  .   . .   None            'Disulfide bridge' 
5 CYS A 154 ? CYS A 167 ? CYS AAA 168 ? 1_555 CYS AAA 182 ? 1_555 SG SG  .   . .   None            'Disulfide bridge' 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          PRO 
_struct_mon_prot_cis.label_seq_id           205 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           PRO 
_struct_mon_prot_cis.auth_seq_id            224 
_struct_mon_prot_cis.auth_asym_id           AAA 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    206 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     225 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    AAA 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       5.57 
# 
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  ? THR A 22  A MET AAA 30  THR AAA 36  
AA2 2 GLY A 25  ? ARG A 36  ? GLY AAA 37  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  ? THR A 22  A MET AAA 30  THR 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                   9GC1 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 HIS AAA 71  ? ? -122.86 -73.31 
2 1 SER AAA 189 ? ? -179.15 148.30 
3 1 SER AAA 195 ? ? -29.76  132.19 
4 1 SER AAA 214 ? ? -120.97 -68.57 
# 
loop_
_pdbx_validate_planes.id 
_pdbx_validate_planes.PDB_model_num 
_pdbx_validate_planes.auth_comp_id 
_pdbx_validate_planes.auth_asym_id 
_pdbx_validate_planes.auth_seq_id 
_pdbx_validate_planes.PDB_ins_code 
_pdbx_validate_planes.label_alt_id 
_pdbx_validate_planes.rmsd 
_pdbx_validate_planes.type 
1 1 ARG AAA 161 ? ? 0.121 'SIDE CHAIN' 
2 1 ARG AAA 174 ? ? 0.103 'SIDE CHAIN' 
# 
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 
A1IJO C4   C  Y N 1   
A1IJO C5   C  Y N 2   
A1IJO C6   C  Y N 3   
A1IJO C7   C  N N 4   
A1IJO C10  C  N N 5   
A1IJO N12  N  N N 6   
A1IJO C13  C  Y N 7   
A1IJO C15  C  Y N 8   
A1IJO C17  C  Y N 9   
A1IJO C20  C  N N 10  
A1IJO C21  C  N N 11  
A1IJO C28  C  N N 12  
A1IJO C27  C  N N 13  
A1IJO C3   C  Y N 14  
A1IJO F31  F  N N 15  
A1IJO F29  F  N N 16  
A1IJO F30  F  N N 17  
A1IJO C2   C  Y N 18  
A1IJO C1   C  Y N 19  
A1IJO N8   N  N N 20  
A1IJO O22  O  N N 21  
A1IJO C9   C  N N 22  
A1IJO O26  O  N N 23  
A1IJO C23  C  N N 24  
A1IJO O24  O  N N 25  
A1IJO O25  O  N N 26  
A1IJO C11  C  N N 27  
A1IJO C14  C  Y N 28  
A1IJO C16  C  Y N 29  
A1IJO O19  O  N N 30  
A1IJO C18  C  Y N 31  
A1IJO H1   H  N N 32  
A1IJO H2   H  N N 33  
A1IJO H3   H  N N 34  
A1IJO H4   H  N N 35  
A1IJO H5   H  N N 36  
A1IJO H6   H  N N 37  
A1IJO H7   H  N N 38  
A1IJO H8   H  N N 39  
A1IJO H9   H  N N 40  
A1IJO H10  H  N N 41  
A1IJO H11  H  N N 42  
A1IJO H12  H  N N 43  
A1IJO H13  H  N N 44  
A1IJO H14  H  N N 45  
A1IJO H15  H  N N 46  
A1IJO H16  H  N N 47  
A1IJO H17  H  N N 48  
ALA   N    N  N N 49  
ALA   CA   C  N S 50  
ALA   C    C  N N 51  
ALA   O    O  N N 52  
ALA   CB   C  N N 53  
ALA   OXT  O  N N 54  
ALA   H    H  N N 55  
ALA   H2   H  N N 56  
ALA   HA   H  N N 57  
ALA   HB1  H  N N 58  
ALA   HB2  H  N N 59  
ALA   HB3  H  N N 60  
ALA   HXT  H  N N 61  
ARG   N    N  N N 62  
ARG   CA   C  N S 63  
ARG   C    C  N N 64  
ARG   O    O  N N 65  
ARG   CB   C  N N 66  
ARG   CG   C  N N 67  
ARG   CD   C  N N 68  
ARG   NE   N  N N 69  
ARG   CZ   C  N N 70  
ARG   NH1  N  N N 71  
ARG   NH2  N  N N 72  
ARG   OXT  O  N N 73  
ARG   H    H  N N 74  
ARG   H2   H  N N 75  
ARG   HA   H  N N 76  
ARG   HB2  H  N N 77  
ARG   HB3  H  N N 78  
ARG   HG2  H  N N 79  
ARG   HG3  H  N N 80  
ARG   HD2  H  N N 81  
ARG   HD3  H  N N 82  
ARG   HE   H  N N 83  
ARG   HH11 H  N N 84  
ARG   HH12 H  N N 85  
ARG   HH21 H  N N 86  
ARG   HH22 H  N N 87  
ARG   HXT  H  N N 88  
ASN   N    N  N N 89  
ASN   CA   C  N S 90  
ASN   C    C  N N 91  
ASN   O    O  N N 92  
ASN   CB   C  N N 93  
ASN   CG   C  N N 94  
ASN   OD1  O  N N 95  
ASN   ND2  N  N N 96  
ASN   OXT  O  N N 97  
ASN   H    H  N N 98  
ASN   H2   H  N N 99  
ASN   HA   H  N N 100 
ASN   HB2  H  N N 101 
ASN   HB3  H  N N 102 
ASN   HD21 H  N N 103 
ASN   HD22 H  N N 104 
ASN   HXT  H  N N 105 
ASP   N    N  N N 106 
ASP   CA   C  N S 107 
ASP   C    C  N N 108 
ASP   O    O  N N 109 
ASP   CB   C  N N 110 
ASP   CG   C  N N 111 
ASP   OD1  O  N N 112 
ASP   OD2  O  N N 113 
ASP   OXT  O  N N 114 
ASP   H    H  N N 115 
ASP   H2   H  N N 116 
ASP   HA   H  N N 117 
ASP   HB2  H  N N 118 
ASP   HB3  H  N N 119 
ASP   HD2  H  N N 120 
ASP   HXT  H  N N 121 
CYS   N    N  N N 122 
CYS   CA   C  N R 123 
CYS   C    C  N N 124 
CYS   O    O  N N 125 
CYS   CB   C  N N 126 
CYS   SG   S  N N 127 
CYS   OXT  O  N N 128 
CYS   H    H  N N 129 
CYS   H2   H  N N 130 
CYS   HA   H  N N 131 
CYS   HB2  H  N N 132 
CYS   HB3  H  N N 133 
CYS   HG   H  N N 134 
CYS   HXT  H  N N 135 
GLN   N    N  N N 136 
GLN   CA   C  N S 137 
GLN   C    C  N N 138 
GLN   O    O  N N 139 
GLN   CB   C  N N 140 
GLN   CG   C  N N 141 
GLN   CD   C  N N 142 
GLN   OE1  O  N N 143 
GLN   NE2  N  N N 144 
GLN   OXT  O  N N 145 
GLN   H    H  N N 146 
GLN   H2   H  N N 147 
GLN   HA   H  N N 148 
GLN   HB2  H  N N 149 
GLN   HB3  H  N N 150 
GLN   HG2  H  N N 151 
GLN   HG3  H  N N 152 
GLN   HE21 H  N N 153 
GLN   HE22 H  N N 154 
GLN   HXT  H  N N 155 
GLU   N    N  N N 156 
GLU   CA   C  N S 157 
GLU   C    C  N N 158 
GLU   O    O  N N 159 
GLU   CB   C  N N 160 
GLU   CG   C  N N 161 
GLU   CD   C  N N 162 
GLU   OE1  O  N N 163 
GLU   OE2  O  N N 164 
GLU   OXT  O  N N 165 
GLU   H    H  N N 166 
GLU   H2   H  N N 167 
GLU   HA   H  N N 168 
GLU   HB2  H  N N 169 
GLU   HB3  H  N N 170 
GLU   HG2  H  N N 171 
GLU   HG3  H  N N 172 
GLU   HE2  H  N N 173 
GLU   HXT  H  N N 174 
GLY   N    N  N N 175 
GLY   CA   C  N N 176 
GLY   C    C  N N 177 
GLY   O    O  N N 178 
GLY   OXT  O  N N 179 
GLY   H    H  N N 180 
GLY   H2   H  N N 181 
GLY   HA2  H  N N 182 
GLY   HA3  H  N N 183 
GLY   HXT  H  N N 184 
HIS   N    N  N N 185 
HIS   CA   C  N S 186 
HIS   C    C  N N 187 
HIS   O    O  N N 188 
HIS   CB   C  N N 189 
HIS   CG   C  Y N 190 
HIS   ND1  N  Y N 191 
HIS   CD2  C  Y N 192 
HIS   CE1  C  Y N 193 
HIS   NE2  N  Y N 194 
HIS   OXT  O  N N 195 
HIS   H    H  N N 196 
HIS   H2   H  N N 197 
HIS   HA   H  N N 198 
HIS   HB2  H  N N 199 
HIS   HB3  H  N N 200 
HIS   HD1  H  N N 201 
HIS   HD2  H  N N 202 
HIS   HE1  H  N N 203 
HIS   HE2  H  N N 204 
HIS   HXT  H  N N 205 
HOH   O    O  N N 206 
HOH   H1   H  N N 207 
HOH   H2   H  N N 208 
ILE   N    N  N N 209 
ILE   CA   C  N S 210 
ILE   C    C  N N 211 
ILE   O    O  N N 212 
ILE   CB   C  N S 213 
ILE   CG1  C  N N 214 
ILE   CG2  C  N N 215 
ILE   CD1  C  N N 216 
ILE   OXT  O  N N 217 
ILE   H    H  N N 218 
ILE   H2   H  N N 219 
ILE   HA   H  N N 220 
ILE   HB   H  N N 221 
ILE   HG12 H  N N 222 
ILE   HG13 H  N N 223 
ILE   HG21 H  N N 224 
ILE   HG22 H  N N 225 
ILE   HG23 H  N N 226 
ILE   HD11 H  N N 227 
ILE   HD12 H  N N 228 
ILE   HD13 H  N N 229 
ILE   HXT  H  N N 230 
LEU   N    N  N N 231 
LEU   CA   C  N S 232 
LEU   C    C  N N 233 
LEU   O    O  N N 234 
LEU   CB   C  N N 235 
LEU   CG   C  N N 236 
LEU   CD1  C  N N 237 
LEU   CD2  C  N N 238 
LEU   OXT  O  N N 239 
LEU   H    H  N N 240 
LEU   H2   H  N N 241 
LEU   HA   H  N N 242 
LEU   HB2  H  N N 243 
LEU   HB3  H  N N 244 
LEU   HG   H  N N 245 
LEU   HD11 H  N N 246 
LEU   HD12 H  N N 247 
LEU   HD13 H  N N 248 
LEU   HD21 H  N N 249 
LEU   HD22 H  N N 250 
LEU   HD23 H  N N 251 
LEU   HXT  H  N N 252 
LYS   N    N  N N 253 
LYS   CA   C  N S 254 
LYS   C    C  N N 255 
LYS   O    O  N N 256 
LYS   CB   C  N N 257 
LYS   CG   C  N N 258 
LYS   CD   C  N N 259 
LYS   CE   C  N N 260 
LYS   NZ   N  N N 261 
LYS   OXT  O  N N 262 
LYS   H    H  N N 263 
LYS   H2   H  N N 264 
LYS   HA   H  N N 265 
LYS   HB2  H  N N 266 
LYS   HB3  H  N N 267 
LYS   HG2  H  N N 268 
LYS   HG3  H  N N 269 
LYS   HD2  H  N N 270 
LYS   HD3  H  N N 271 
LYS   HE2  H  N N 272 
LYS   HE3  H  N N 273 
LYS   HZ1  H  N N 274 
LYS   HZ2  H  N N 275 
LYS   HZ3  H  N N 276 
LYS   HXT  H  N N 277 
MET   N    N  N N 278 
MET   CA   C  N S 279 
MET   C    C  N N 280 
MET   O    O  N N 281 
MET   CB   C  N N 282 
MET   CG   C  N N 283 
MET   SD   S  N N 284 
MET   CE   C  N N 285 
MET   OXT  O  N N 286 
MET   H    H  N N 287 
MET   H2   H  N N 288 
MET   HA   H  N N 289 
MET   HB2  H  N N 290 
MET   HB3  H  N N 291 
MET   HG2  H  N N 292 
MET   HG3  H  N N 293 
MET   HE1  H  N N 294 
MET   HE2  H  N N 295 
MET   HE3  H  N N 296 
MET   HXT  H  N N 297 
NAG   C1   C  N R 298 
NAG   C2   C  N R 299 
NAG   C3   C  N R 300 
NAG   C4   C  N S 301 
NAG   C5   C  N R 302 
NAG   C6   C  N N 303 
NAG   C7   C  N N 304 
NAG   C8   C  N N 305 
NAG   N2   N  N N 306 
NAG   O1   O  N N 307 
NAG   O3   O  N N 308 
NAG   O4   O  N N 309 
NAG   O5   O  N N 310 
NAG   O6   O  N N 311 
NAG   O7   O  N N 312 
NAG   H1   H  N N 313 
NAG   H2   H  N N 314 
NAG   H3   H  N N 315 
NAG   H4   H  N N 316 
NAG   H5   H  N N 317 
NAG   H61  H  N N 318 
NAG   H62  H  N N 319 
NAG   H81  H  N N 320 
NAG   H82  H  N N 321 
NAG   H83  H  N N 322 
NAG   HN2  H  N N 323 
NAG   HO1  H  N N 324 
NAG   HO3  H  N N 325 
NAG   HO4  H  N N 326 
NAG   HO6  H  N N 327 
PHE   N    N  N N 328 
PHE   CA   C  N S 329 
PHE   C    C  N N 330 
PHE   O    O  N N 331 
PHE   CB   C  N N 332 
PHE   CG   C  Y N 333 
PHE   CD1  C  Y N 334 
PHE   CD2  C  Y N 335 
PHE   CE1  C  Y N 336 
PHE   CE2  C  Y N 337 
PHE   CZ   C  Y N 338 
PHE   OXT  O  N N 339 
PHE   H    H  N N 340 
PHE   H2   H  N N 341 
PHE   HA   H  N N 342 
PHE   HB2  H  N N 343 
PHE   HB3  H  N N 344 
PHE   HD1  H  N N 345 
PHE   HD2  H  N N 346 
PHE   HE1  H  N N 347 
PHE   HE2  H  N N 348 
PHE   HZ   H  N N 349 
PHE   HXT  H  N N 350 
PRO   N    N  N N 351 
PRO   CA   C  N S 352 
PRO   C    C  N N 353 
PRO   O    O  N N 354 
PRO   CB   C  N N 355 
PRO   CG   C  N N 356 
PRO   CD   C  N N 357 
PRO   OXT  O  N N 358 
PRO   H    H  N N 359 
PRO   HA   H  N N 360 
PRO   HB2  H  N N 361 
PRO   HB3  H  N N 362 
PRO   HG2  H  N N 363 
PRO   HG3  H  N N 364 
PRO   HD2  H  N N 365 
PRO   HD3  H  N N 366 
PRO   HXT  H  N N 367 
SER   N    N  N N 368 
SER   CA   C  N S 369 
SER   C    C  N N 370 
SER   O    O  N N 371 
SER   CB   C  N N 372 
SER   OG   O  N N 373 
SER   OXT  O  N N 374 
SER   H    H  N N 375 
SER   H2   H  N N 376 
SER   HA   H  N N 377 
SER   HB2  H  N N 378 
SER   HB3  H  N N 379 
SER   HG   H  N N 380 
SER   HXT  H  N N 381 
THR   N    N  N N 382 
THR   CA   C  N S 383 
THR   C    C  N N 384 
THR   O    O  N N 385 
THR   CB   C  N R 386 
THR   OG1  O  N N 387 
THR   CG2  C  N N 388 
THR   OXT  O  N N 389 
THR   H    H  N N 390 
THR   H2   H  N N 391 
THR   HA   H  N N 392 
THR   HB   H  N N 393 
THR   HG1  H  N N 394 
THR   HG21 H  N N 395 
THR   HG22 H  N N 396 
THR   HG23 H  N N 397 
THR   HXT  H  N N 398 
TRP   N    N  N N 399 
TRP   CA   C  N S 400 
TRP   C    C  N N 401 
TRP   O    O  N N 402 
TRP   CB   C  N N 403 
TRP   CG   C  Y N 404 
TRP   CD1  C  Y N 405 
TRP   CD2  C  Y N 406 
TRP   NE1  N  Y N 407 
TRP   CE2  C  Y N 408 
TRP   CE3  C  Y N 409 
TRP   CZ2  C  Y N 410 
TRP   CZ3  C  Y N 411 
TRP   CH2  C  Y N 412 
TRP   OXT  O  N N 413 
TRP   H    H  N N 414 
TRP   H2   H  N N 415 
TRP   HA   H  N N 416 
TRP   HB2  H  N N 417 
TRP   HB3  H  N N 418 
TRP   HD1  H  N N 419 
TRP   HE1  H  N N 420 
TRP   HE3  H  N N 421 
TRP   HZ2  H  N N 422 
TRP   HZ3  H  N N 423 
TRP   HH2  H  N N 424 
TRP   HXT  H  N N 425 
TYR   N    N  N N 426 
TYR   CA   C  N S 427 
TYR   C    C  N N 428 
TYR   O    O  N N 429 
TYR   CB   C  N N 430 
TYR   CG   C  Y N 431 
TYR   CD1  C  Y N 432 
TYR   CD2  C  Y N 433 
TYR   CE1  C  Y N 434 
TYR   CE2  C  Y N 435 
TYR   CZ   C  Y N 436 
TYR   OH   O  N N 437 
TYR   OXT  O  N N 438 
TYR   H    H  N N 439 
TYR   H2   H  N N 440 
TYR   HA   H  N N 441 
TYR   HB2  H  N N 442 
TYR   HB3  H  N N 443 
TYR   HD1  H  N N 444 
TYR   HD2  H  N N 445 
TYR   HE1  H  N N 446 
TYR   HE2  H  N N 447 
TYR   HH   H  N N 448 
TYR   HXT  H  N N 449 
VAL   N    N  N N 450 
VAL   CA   C  N S 451 
VAL   C    C  N N 452 
VAL   O    O  N N 453 
VAL   CB   C  N N 454 
VAL   CG1  C  N N 455 
VAL   CG2  C  N N 456 
VAL   OXT  O  N N 457 
VAL   H    H  N N 458 
VAL   H2   H  N N 459 
VAL   HA   H  N N 460 
VAL   HB   H  N N 461 
VAL   HG11 H  N N 462 
VAL   HG12 H  N N 463 
VAL   HG13 H  N N 464 
VAL   HG21 H  N N 465 
VAL   HG22 H  N N 466 
VAL   HG23 H  N N 467 
VAL   HXT  H  N N 468 
ZN    ZN   ZN N N 469 
# 
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 
A1IJO C4  C27  sing N N 1   
A1IJO C4  C3   doub Y N 2   
A1IJO C4  C5   sing Y N 3   
A1IJO C3  C28  sing N N 4   
A1IJO C3  C2   sing Y N 5   
A1IJO C28 F31  sing N N 6   
A1IJO C28 F29  sing N N 7   
A1IJO C28 F30  sing N N 8   
A1IJO C2  C1   doub Y N 9   
A1IJO C1  C6   sing Y N 10  
A1IJO C5  C6   doub Y N 11  
A1IJO C5  C7   sing N N 12  
A1IJO N8  C7   sing N N 13  
A1IJO N8  C21  sing N N 14  
A1IJO N8  C9   sing N N 15  
A1IJO C21 O22  doub N N 16  
A1IJO C21 N12  sing N N 17  
A1IJO C9  O26  doub N N 18  
A1IJO C9  C10  sing N N 19  
A1IJO C10 C23  sing N N 20  
A1IJO C10 C11  doub N N 21  
A1IJO C23 O24  doub N N 22  
A1IJO C23 O25  sing N N 23  
A1IJO N12 C11  sing N N 24  
A1IJO N12 C13  sing N N 25  
A1IJO C13 C14  doub Y N 26  
A1IJO C13 C18  sing Y N 27  
A1IJO C14 C15  sing Y N 28  
A1IJO C16 C15  doub Y N 29  
A1IJO C16 O19  sing N N 30  
A1IJO C16 C17  sing Y N 31  
A1IJO O19 C20  sing N N 32  
A1IJO C17 C18  doub Y N 33  
A1IJO C6  H1   sing N N 34  
A1IJO C7  H2   sing N N 35  
A1IJO C7  H3   sing N N 36  
A1IJO C15 H4   sing N N 37  
A1IJO C17 H5   sing N N 38  
A1IJO C20 H6   sing N N 39  
A1IJO C20 H7   sing N N 40  
A1IJO C20 H8   sing N N 41  
A1IJO C27 H9   sing N N 42  
A1IJO C27 H10  sing N N 43  
A1IJO C27 H11  sing N N 44  
A1IJO C2  H12  sing N N 45  
A1IJO C1  H13  sing N N 46  
A1IJO O25 H14  sing N N 47  
A1IJO C11 H15  sing N N 48  
A1IJO C14 H16  sing N N 49  
A1IJO C18 H17  sing N N 50  
ALA   N   CA   sing N N 51  
ALA   N   H    sing N N 52  
ALA   N   H2   sing N N 53  
ALA   CA  C    sing N N 54  
ALA   CA  CB   sing N N 55  
ALA   CA  HA   sing N N 56  
ALA   C   O    doub N N 57  
ALA   C   OXT  sing N N 58  
ALA   CB  HB1  sing N N 59  
ALA   CB  HB2  sing N N 60  
ALA   CB  HB3  sing N N 61  
ALA   OXT HXT  sing N N 62  
ARG   N   CA   sing N N 63  
ARG   N   H    sing N N 64  
ARG   N   H2   sing N N 65  
ARG   CA  C    sing N N 66  
ARG   CA  CB   sing N N 67  
ARG   CA  HA   sing N N 68  
ARG   C   O    doub N N 69  
ARG   C   OXT  sing N N 70  
ARG   CB  CG   sing N N 71  
ARG   CB  HB2  sing N N 72  
ARG   CB  HB3  sing N N 73  
ARG   CG  CD   sing N N 74  
ARG   CG  HG2  sing N N 75  
ARG   CG  HG3  sing N N 76  
ARG   CD  NE   sing N N 77  
ARG   CD  HD2  sing N N 78  
ARG   CD  HD3  sing N N 79  
ARG   NE  CZ   sing N N 80  
ARG   NE  HE   sing N N 81  
ARG   CZ  NH1  sing N N 82  
ARG   CZ  NH2  doub N N 83  
ARG   NH1 HH11 sing N N 84  
ARG   NH1 HH12 sing N N 85  
ARG   NH2 HH21 sing N N 86  
ARG   NH2 HH22 sing N N 87  
ARG   OXT HXT  sing N N 88  
ASN   N   CA   sing N N 89  
ASN   N   H    sing N N 90  
ASN   N   H2   sing N N 91  
ASN   CA  C    sing N N 92  
ASN   CA  CB   sing N N 93  
ASN   CA  HA   sing N N 94  
ASN   C   O    doub N N 95  
ASN   C   OXT  sing N N 96  
ASN   CB  CG   sing N N 97  
ASN   CB  HB2  sing N N 98  
ASN   CB  HB3  sing N N 99  
ASN   CG  OD1  doub N N 100 
ASN   CG  ND2  sing N N 101 
ASN   ND2 HD21 sing N N 102 
ASN   ND2 HD22 sing N N 103 
ASN   OXT HXT  sing N N 104 
ASP   N   CA   sing N N 105 
ASP   N   H    sing N N 106 
ASP   N   H2   sing N N 107 
ASP   CA  C    sing N N 108 
ASP   CA  CB   sing N N 109 
ASP   CA  HA   sing N N 110 
ASP   C   O    doub N N 111 
ASP   C   OXT  sing N N 112 
ASP   CB  CG   sing N N 113 
ASP   CB  HB2  sing N N 114 
ASP   CB  HB3  sing N N 115 
ASP   CG  OD1  doub N N 116 
ASP   CG  OD2  sing N N 117 
ASP   OD2 HD2  sing N N 118 
ASP   OXT HXT  sing N N 119 
CYS   N   CA   sing N N 120 
CYS   N   H    sing N N 121 
CYS   N   H2   sing N N 122 
CYS   CA  C    sing N N 123 
CYS   CA  CB   sing N N 124 
CYS   CA  HA   sing N N 125 
CYS   C   O    doub N N 126 
CYS   C   OXT  sing N N 127 
CYS   CB  SG   sing N N 128 
CYS   CB  HB2  sing N N 129 
CYS   CB  HB3  sing N N 130 
CYS   SG  HG   sing N N 131 
CYS   OXT HXT  sing N N 132 
GLN   N   CA   sing N N 133 
GLN   N   H    sing N N 134 
GLN   N   H2   sing N N 135 
GLN   CA  C    sing N N 136 
GLN   CA  CB   sing N N 137 
GLN   CA  HA   sing N N 138 
GLN   C   O    doub N N 139 
GLN   C   OXT  sing N N 140 
GLN   CB  CG   sing N N 141 
GLN   CB  HB2  sing N N 142 
GLN   CB  HB3  sing N N 143 
GLN   CG  CD   sing N N 144 
GLN   CG  HG2  sing N N 145 
GLN   CG  HG3  sing N N 146 
GLN   CD  OE1  doub N N 147 
GLN   CD  NE2  sing N N 148 
GLN   NE2 HE21 sing N N 149 
GLN   NE2 HE22 sing N N 150 
GLN   OXT HXT  sing N N 151 
GLU   N   CA   sing N N 152 
GLU   N   H    sing N N 153 
GLU   N   H2   sing N N 154 
GLU   CA  C    sing N N 155 
GLU   CA  CB   sing N N 156 
GLU   CA  HA   sing N N 157 
GLU   C   O    doub N N 158 
GLU   C   OXT  sing N N 159 
GLU   CB  CG   sing N N 160 
GLU   CB  HB2  sing N N 161 
GLU   CB  HB3  sing N N 162 
GLU   CG  CD   sing N N 163 
GLU   CG  HG2  sing N N 164 
GLU   CG  HG3  sing N N 165 
GLU   CD  OE1  doub N N 166 
GLU   CD  OE2  sing N N 167 
GLU   OE2 HE2  sing N N 168 
GLU   OXT HXT  sing N N 169 
GLY   N   CA   sing N N 170 
GLY   N   H    sing N N 171 
GLY   N   H2   sing N N 172 
GLY   CA  C    sing N N 173 
GLY   CA  HA2  sing N N 174 
GLY   CA  HA3  sing N N 175 
GLY   C   O    doub N N 176 
GLY   C   OXT  sing N N 177 
GLY   OXT HXT  sing N N 178 
HIS   N   CA   sing N N 179 
HIS   N   H    sing N N 180 
HIS   N   H2   sing N N 181 
HIS   CA  C    sing N N 182 
HIS   CA  CB   sing N N 183 
HIS   CA  HA   sing N N 184 
HIS   C   O    doub N N 185 
HIS   C   OXT  sing N N 186 
HIS   CB  CG   sing N N 187 
HIS   CB  HB2  sing N N 188 
HIS   CB  HB3  sing N N 189 
HIS   CG  ND1  sing Y N 190 
HIS   CG  CD2  doub Y N 191 
HIS   ND1 CE1  doub Y N 192 
HIS   ND1 HD1  sing N N 193 
HIS   CD2 NE2  sing Y N 194 
HIS   CD2 HD2  sing N N 195 
HIS   CE1 NE2  sing Y N 196 
HIS   CE1 HE1  sing N N 197 
HIS   NE2 HE2  sing N N 198 
HIS   OXT HXT  sing N N 199 
HOH   O   H1   sing N N 200 
HOH   O   H2   sing N N 201 
ILE   N   CA   sing N N 202 
ILE   N   H    sing N N 203 
ILE   N   H2   sing N N 204 
ILE   CA  C    sing N N 205 
ILE   CA  CB   sing N N 206 
ILE   CA  HA   sing N N 207 
ILE   C   O    doub N N 208 
ILE   C   OXT  sing N N 209 
ILE   CB  CG1  sing N N 210 
ILE   CB  CG2  sing N N 211 
ILE   CB  HB   sing N N 212 
ILE   CG1 CD1  sing N N 213 
ILE   CG1 HG12 sing N N 214 
ILE   CG1 HG13 sing N N 215 
ILE   CG2 HG21 sing N N 216 
ILE   CG2 HG22 sing N N 217 
ILE   CG2 HG23 sing N N 218 
ILE   CD1 HD11 sing N N 219 
ILE   CD1 HD12 sing N N 220 
ILE   CD1 HD13 sing N N 221 
ILE   OXT HXT  sing N N 222 
LEU   N   CA   sing N N 223 
LEU   N   H    sing N N 224 
LEU   N   H2   sing N N 225 
LEU   CA  C    sing N N 226 
LEU   CA  CB   sing N N 227 
LEU   CA  HA   sing N N 228 
LEU   C   O    doub N N 229 
LEU   C   OXT  sing N N 230 
LEU   CB  CG   sing N N 231 
LEU   CB  HB2  sing N N 232 
LEU   CB  HB3  sing N N 233 
LEU   CG  CD1  sing N N 234 
LEU   CG  CD2  sing N N 235 
LEU   CG  HG   sing N N 236 
LEU   CD1 HD11 sing N N 237 
LEU   CD1 HD12 sing N N 238 
LEU   CD1 HD13 sing N N 239 
LEU   CD2 HD21 sing N N 240 
LEU   CD2 HD22 sing N N 241 
LEU   CD2 HD23 sing N N 242 
LEU   OXT HXT  sing N N 243 
LYS   N   CA   sing N N 244 
LYS   N   H    sing N N 245 
LYS   N   H2   sing N N 246 
LYS   CA  C    sing N N 247 
LYS   CA  CB   sing N N 248 
LYS   CA  HA   sing N N 249 
LYS   C   O    doub N N 250 
LYS   C   OXT  sing N N 251 
LYS   CB  CG   sing N N 252 
LYS   CB  HB2  sing N N 253 
LYS   CB  HB3  sing N N 254 
LYS   CG  CD   sing N N 255 
LYS   CG  HG2  sing N N 256 
LYS   CG  HG3  sing N N 257 
LYS   CD  CE   sing N N 258 
LYS   CD  HD2  sing N N 259 
LYS   CD  HD3  sing N N 260 
LYS   CE  NZ   sing N N 261 
LYS   CE  HE2  sing N N 262 
LYS   CE  HE3  sing N N 263 
LYS   NZ  HZ1  sing N N 264 
LYS   NZ  HZ2  sing N N 265 
LYS   NZ  HZ3  sing N N 266 
LYS   OXT HXT  sing N N 267 
MET   N   CA   sing N N 268 
MET   N   H    sing N N 269 
MET   N   H2   sing N N 270 
MET   CA  C    sing N N 271 
MET   CA  CB   sing N N 272 
MET   CA  HA   sing N N 273 
MET   C   O    doub N N 274 
MET   C   OXT  sing N N 275 
MET   CB  CG   sing N N 276 
MET   CB  HB2  sing N N 277 
MET   CB  HB3  sing N N 278 
MET   CG  SD   sing N N 279 
MET   CG  HG2  sing N N 280 
MET   CG  HG3  sing N N 281 
MET   SD  CE   sing N N 282 
MET   CE  HE1  sing N N 283 
MET   CE  HE2  sing N N 284 
MET   CE  HE3  sing N N 285 
MET   OXT HXT  sing N N 286 
NAG   C1  C2   sing N N 287 
NAG   C1  O1   sing N N 288 
NAG   C1  O5   sing N N 289 
NAG   C1  H1   sing N N 290 
NAG   C2  C3   sing N N 291 
NAG   C2  N2   sing N N 292 
NAG   C2  H2   sing N N 293 
NAG   C3  C4   sing N N 294 
NAG   C3  O3   sing N N 295 
NAG   C3  H3   sing N N 296 
NAG   C4  C5   sing N N 297 
NAG   C4  O4   sing N N 298 
NAG   C4  H4   sing N N 299 
NAG   C5  C6   sing N N 300 
NAG   C5  O5   sing N N 301 
NAG   C5  H5   sing N N 302 
NAG   C6  O6   sing N N 303 
NAG   C6  H61  sing N N 304 
NAG   C6  H62  sing N N 305 
NAG   C7  C8   sing N N 306 
NAG   C7  N2   sing N N 307 
NAG   C7  O7   doub N N 308 
NAG   C8  H81  sing N N 309 
NAG   C8  H82  sing N N 310 
NAG   C8  H83  sing N N 311 
NAG   N2  HN2  sing N N 312 
NAG   O1  HO1  sing N N 313 
NAG   O3  HO3  sing N N 314 
NAG   O4  HO4  sing N N 315 
NAG   O6  HO6  sing N N 316 
PHE   N   CA   sing N N 317 
PHE   N   H    sing N N 318 
PHE   N   H2   sing N N 319 
PHE   CA  C    sing N N 320 
PHE   CA  CB   sing N N 321 
PHE   CA  HA   sing N N 322 
PHE   C   O    doub N N 323 
PHE   C   OXT  sing N N 324 
PHE   CB  CG   sing N N 325 
PHE   CB  HB2  sing N N 326 
PHE   CB  HB3  sing N N 327 
PHE   CG  CD1  doub Y N 328 
PHE   CG  CD2  sing Y N 329 
PHE   CD1 CE1  sing Y N 330 
PHE   CD1 HD1  sing N N 331 
PHE   CD2 CE2  doub Y N 332 
PHE   CD2 HD2  sing N N 333 
PHE   CE1 CZ   doub Y N 334 
PHE   CE1 HE1  sing N N 335 
PHE   CE2 CZ   sing Y N 336 
PHE   CE2 HE2  sing N N 337 
PHE   CZ  HZ   sing N N 338 
PHE   OXT HXT  sing N N 339 
PRO   N   CA   sing N N 340 
PRO   N   CD   sing N N 341 
PRO   N   H    sing N N 342 
PRO   CA  C    sing N N 343 
PRO   CA  CB   sing N N 344 
PRO   CA  HA   sing N N 345 
PRO   C   O    doub N N 346 
PRO   C   OXT  sing N N 347 
PRO   CB  CG   sing N N 348 
PRO   CB  HB2  sing N N 349 
PRO   CB  HB3  sing N N 350 
PRO   CG  CD   sing N N 351 
PRO   CG  HG2  sing N N 352 
PRO   CG  HG3  sing N N 353 
PRO   CD  HD2  sing N N 354 
PRO   CD  HD3  sing N N 355 
PRO   OXT HXT  sing N N 356 
SER   N   CA   sing N N 357 
SER   N   H    sing N N 358 
SER   N   H2   sing N N 359 
SER   CA  C    sing N N 360 
SER   CA  CB   sing N N 361 
SER   CA  HA   sing N N 362 
SER   C   O    doub N N 363 
SER   C   OXT  sing N N 364 
SER   CB  OG   sing N N 365 
SER   CB  HB2  sing N N 366 
SER   CB  HB3  sing N N 367 
SER   OG  HG   sing N N 368 
SER   OXT HXT  sing N N 369 
THR   N   CA   sing N N 370 
THR   N   H    sing N N 371 
THR   N   H2   sing N N 372 
THR   CA  C    sing N N 373 
THR   CA  CB   sing N N 374 
THR   CA  HA   sing N N 375 
THR   C   O    doub N N 376 
THR   C   OXT  sing N N 377 
THR   CB  OG1  sing N N 378 
THR   CB  CG2  sing N N 379 
THR   CB  HB   sing N N 380 
THR   OG1 HG1  sing N N 381 
THR   CG2 HG21 sing N N 382 
THR   CG2 HG22 sing N N 383 
THR   CG2 HG23 sing N N 384 
THR   OXT HXT  sing N N 385 
TRP   N   CA   sing N N 386 
TRP   N   H    sing N N 387 
TRP   N   H2   sing N N 388 
TRP   CA  C    sing N N 389 
TRP   CA  CB   sing N N 390 
TRP   CA  HA   sing N N 391 
TRP   C   O    doub N N 392 
TRP   C   OXT  sing N N 393 
TRP   CB  CG   sing N N 394 
TRP   CB  HB2  sing N N 395 
TRP   CB  HB3  sing N N 396 
TRP   CG  CD1  doub Y N 397 
TRP   CG  CD2  sing Y N 398 
TRP   CD1 NE1  sing Y N 399 
TRP   CD1 HD1  sing N N 400 
TRP   CD2 CE2  doub Y N 401 
TRP   CD2 CE3  sing Y N 402 
TRP   NE1 CE2  sing Y N 403 
TRP   NE1 HE1  sing N N 404 
TRP   CE2 CZ2  sing Y N 405 
TRP   CE3 CZ3  doub Y N 406 
TRP   CE3 HE3  sing N N 407 
TRP   CZ2 CH2  doub Y N 408 
TRP   CZ2 HZ2  sing N N 409 
TRP   CZ3 CH2  sing Y N 410 
TRP   CZ3 HZ3  sing N N 411 
TRP   CH2 HH2  sing N N 412 
TRP   OXT HXT  sing N N 413 
TYR   N   CA   sing N N 414 
TYR   N   H    sing N N 415 
TYR   N   H2   sing N N 416 
TYR   CA  C    sing N N 417 
TYR   CA  CB   sing N N 418 
TYR   CA  HA   sing N N 419 
TYR   C   O    doub N N 420 
TYR   C   OXT  sing N N 421 
TYR   CB  CG   sing N N 422 
TYR   CB  HB2  sing N N 423 
TYR   CB  HB3  sing N N 424 
TYR   CG  CD1  doub Y N 425 
TYR   CG  CD2  sing Y N 426 
TYR   CD1 CE1  sing Y N 427 
TYR   CD1 HD1  sing N N 428 
TYR   CD2 CE2  doub Y N 429 
TYR   CD2 HD2  sing N N 430 
TYR   CE1 CZ   doub Y N 431 
TYR   CE1 HE1  sing N N 432 
TYR   CE2 CZ   sing Y N 433 
TYR   CE2 HE2  sing N N 434 
TYR   CZ  OH   sing N N 435 
TYR   OH  HH   sing N N 436 
TYR   OXT HXT  sing N N 437 
VAL   N   CA   sing N N 438 
VAL   N   H    sing N N 439 
VAL   N   H2   sing N N 440 
VAL   CA  C    sing N N 441 
VAL   CA  CB   sing N N 442 
VAL   CA  HA   sing N N 443 
VAL   C   O    doub N N 444 
VAL   C   OXT  sing N N 445 
VAL   CB  CG1  sing N N 446 
VAL   CB  CG2  sing N N 447 
VAL   CB  HB   sing N N 448 
VAL   CG1 HG11 sing N N 449 
VAL   CG1 HG12 sing N N 450 
VAL   CG1 HG13 sing N N 451 
VAL   CG2 HG21 sing N N 452 
VAL   CG2 HG22 sing N N 453 
VAL   CG2 HG23 sing N N 454 
VAL   OXT HXT  sing N N 455 
# 
_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                    9GC1 
_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]   0.013496 
_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]   0.013496 
_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]   0.020198 
_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   ? -20.853 30.057 -1.044  1.000 24.353 0 16  ILE   AAA N   1 ? 
ATOM   2    C  CA  . ILE   A 1 1   ? -21.248 29.092 0.013   1.000 23.574 0 16  ILE   AAA CA  1 ? 
ATOM   3    C  C   . ILE   A 1 1   ? -22.556 29.590 0.624   1.000 23.087 0 16  ILE   AAA C   1 ? 
ATOM   4    O  O   . ILE   A 1 1   ? -22.636 30.689 1.154   1.000 22.669 0 16  ILE   AAA O   1 ? 
ATOM   5    C  CB  . ILE   A 1 1   ? -20.157 28.927 1.082   1.000 22.287 0 16  ILE   AAA CB  1 ? 
ATOM   6    C  CG1 . ILE   A 1 1   ? -18.819 28.448 0.494   1.000 22.611 0 16  ILE   AAA CG1 1 ? 
ATOM   7    C  CG2 . ILE   A 1 1   ? -20.629 28.009 2.197   1.000 22.655 0 16  ILE   AAA CG2 1 ? 
ATOM   8    C  CD1 . ILE   A 1 1   ? -18.769 26.970 0.107   1.000 21.882 0 16  ILE   AAA CD1 1 ? 
ATOM   9    N  N   . ILE   A 1 2   ? -23.566 28.740 0.540   1.000 24.156 0 17  ILE   AAA N   1 ? 
ATOM   10   C  CA  . ILE   A 1 2   ? -24.879 28.989 1.110   1.000 25.050 0 17  ILE   AAA CA  1 ? 
ATOM   11   C  C   . ILE   A 1 2   ? -24.958 28.261 2.442   1.000 23.916 0 17  ILE   AAA C   1 ? 
ATOM   12   O  O   . ILE   A 1 2   ? -24.711 27.062 2.484   1.000 24.656 0 17  ILE   AAA O   1 ? 
ATOM   13   C  CB  . ILE   A 1 2   ? -25.945 28.493 0.107   1.000 25.614 0 17  ILE   AAA CB  1 ? 
ATOM   14   C  CG1 . ILE   A 1 2   ? -25.920 29.322 -1.173  1.000 26.890 0 17  ILE   AAA CG1 1 ? 
ATOM   15   C  CG2 . ILE   A 1 2   ? -27.338 28.445 0.726   1.000 27.172 0 17  ILE   AAA CG2 1 ? 
ATOM   16   C  CD1 . ILE   A 1 2   ? -26.815 28.809 -2.277  1.000 28.277 0 17  ILE   AAA CD1 1 ? 
ATOM   17   N  N   . GLY   A 1 3   ? -25.323 28.973 3.523   1.000 26.964 0 18  GLY   AAA N   1 ? 
ATOM   18   C  CA  . GLY   A 1 3   ? -25.586 28.324 4.801   1.000 25.698 0 18  GLY   AAA CA  1 ? 
ATOM   19   C  C   . GLY   A 1 3   ? -24.321 27.968 5.573   1.000 27.645 0 18  GLY   AAA C   1 ? 
ATOM   20   O  O   . GLY   A 1 3   ? -24.359 27.134 6.465   1.000 27.153 0 18  GLY   AAA O   1 ? 
ATOM   21   N  N   . GLY   A 1 4   ? -23.196 28.601 5.234   1.000 29.354 0 19  GLY   AAA N   1 ? 
ATOM   22   C  CA  . GLY   A 1 4   ? -21.940 28.351 5.923   1.000 29.501 0 19  GLY   AAA CA  1 ? 
ATOM   23   C  C   . GLY   A 1 4   ? -21.634 29.473 6.911   1.000 29.604 0 19  GLY   AAA C   1 ? 
ATOM   24   O  O   . GLY   A 1 4   ? -22.505 30.289 7.207   1.000 29.733 0 19  GLY   AAA O   1 ? 
ATOM   25   N  N   . THR   A 1 5   ? -20.399 29.509 7.414   1.000 30.290 0 20  THR   AAA N   1 ? 
ATOM   26   C  CA  . THR   A 1 5   ? -19.978 30.553 8.343   1.000 31.127 0 20  THR   AAA CA  1 ? 
ATOM   27   C  C   . THR   A 1 5   ? -18.675 31.176 7.841   1.000 29.964 0 20  THR   AAA C   1 ? 
ATOM   28   O  O   . THR   A 1 5   ? -17.921 30.540 7.117   1.000 27.087 0 20  THR   AAA O   1 ? 
ATOM   29   C  CB  . THR   A 1 5   ? -19.831 29.971 9.758   1.000 35.454 0 20  THR   AAA CB  1 ? 
ATOM   30   O  OG1 . THR   A 1 5   ? -18.853 28.935 9.723   1.000 37.747 0 20  THR   AAA OG1 1 ? 
ATOM   31   C  CG2 . THR   A 1 5   ? -21.125 29.392 10.297  1.000 38.863 0 20  THR   AAA CG2 1 ? 
ATOM   32   N  N   . GLU   A 1 6   ? -18.373 32.406 8.259   1.000 28.556 0 21  GLU   AAA N   1 ? 
ATOM   33   C  CA  . GLU   A 1 6   ? -17.106 33.019 7.866   1.000 31.225 0 21  GLU   AAA CA  1 ? 
ATOM   34   C  C   . GLU   A 1 6   ? -15.954 32.257 8.515   1.000 30.117 0 21  GLU   AAA C   1 ? 
ATOM   35   O  O   . GLU   A 1 6   ? -16.014 31.947 9.702   1.000 28.303 0 21  GLU   AAA O   1 ? 
ATOM   36   C  CB  . GLU   A 1 6   ? -17.063 34.487 8.295   1.000 31.938 0 21  GLU   AAA CB  1 ? 
ATOM   37   C  CG  . GLU   A 1 6   ? -15.767 35.165 7.900   1.000 32.967 0 21  GLU   AAA CG  1 ? 
ATOM   38   C  CD  . GLU   A 1 6   ? -15.718 36.636 8.250   1.000 36.997 0 21  GLU   AAA CD  1 ? 
ATOM   39   O  OE1 . GLU   A 1 6   ? -16.709 37.116 8.844   1.000 36.715 0 21  GLU   AAA OE1 1 ? 
ATOM   40   O  OE2 . GLU   A 1 6   ? -14.710 37.279 7.922   1.000 31.988 0 21  GLU   AAA OE2 1 ? 
ATOM   41   N  N   . CYS   A 1 7   ? -14.894 31.954 7.749   1.000 28.332 0 22  CYS   AAA N   1 ? 
ATOM   42   C  CA  . CYS   A 1 7   ? -13.757 31.247 8.323   1.000 28.909 0 22  CYS   AAA CA  1 ? 
ATOM   43   C  C   . CYS   A 1 7   ? -12.945 32.195 9.189   1.000 26.580 0 22  CYS   AAA C   1 ? 
ATOM   44   O  O   . CYS   A 1 7   ? -12.986 33.383 8.978   1.000 28.438 0 22  CYS   AAA O   1 ? 
ATOM   45   C  CB  . CYS   A 1 7   ? -12.800 30.699 7.272   1.000 28.653 0 22  CYS   AAA CB  1 ? 
ATOM   46   S  SG  . CYS   A 1 7   ? -13.590 29.534 6.140   1.000 30.980 0 22  CYS   AAA SG  1 ? 
ATOM   47   N  N   . LYS   A 1 8   ? -12.206 31.662 10.159  1.000 30.583 0 23  LYS   AAA N   1 ? 
ATOM   48   C  CA  . LYS   A 1 8   ? -11.154 32.433 10.805  1.000 30.156 0 23  LYS   AAA CA  1 ? 
ATOM   49   C  C   . LYS   A 1 8   ? -10.143 32.799 9.715   1.000 27.474 0 23  LYS   AAA C   1 ? 
ATOM   50   O  O   . LYS   A 1 8   ? -9.710  31.936 8.938   1.000 25.816 0 23  LYS   AAA O   1 ? 
ATOM   51   C  CB  . LYS   A 1 8   ? -10.522 31.623 11.937  1.000 35.183 0 23  LYS   AAA CB  1 ? 
ATOM   52   C  CG  . LYS   A 1 8   ? -9.301  32.251 12.607  1.000 40.973 0 23  LYS   AAA CG  1 ? 
ATOM   53   C  CD  . LYS   A 1 8   ? -8.790  31.442 13.806  1.000 46.253 0 23  LYS   AAA CD  1 ? 
ATOM   54   C  CE  . LYS   A 1 8   ? -7.299  31.564 14.053  1.000 48.953 0 23  LYS   AAA CE  1 ? 
ATOM   55   N  NZ  . LYS   A 1 8   ? -6.834  32.974 13.999  1.000 51.590 0 23  LYS   AAA NZ  1 ? 
ATOM   56   N  N   . PRO   A 1 9   ? -9.798  34.096 9.567   1.000 25.719 0 24  PRO   AAA N   1 ? 
ATOM   57   C  CA  . PRO   A 1 9   ? -8.885  34.519 8.508   1.000 24.011 0 24  PRO   AAA CA  1 ? 
ATOM   58   C  C   . PRO   A 1 9   ? -7.616  33.662 8.431   1.000 23.566 0 24  PRO   AAA C   1 ? 
ATOM   59   O  O   . PRO   A 1 9   ? -6.918  33.477 9.427   1.000 23.395 0 24  PRO   AAA O   1 ? 
ATOM   60   C  CB  . PRO   A 1 9   ? -8.536  35.966 8.880   1.000 26.045 0 24  PRO   AAA CB  1 ? 
ATOM   61   C  CG  . PRO   A 1 9   ? -9.669  36.449 9.793   1.000 26.761 0 24  PRO   AAA CG  1 ? 
ATOM   62   C  CD  . PRO   A 1 9   ? -10.286 35.211 10.400  1.000 26.469 0 24  PRO   AAA CD  1 ? 
ATOM   63   N  N   . HIS   A 1 10  ? -7.312  33.155 7.225   1.000 23.000 0 25  HIS   AAA N   1 ? 
ATOM   64   C  CA  . HIS   A 1 10  ? -6.104  32.385 6.952   1.000 21.410 0 25  HIS   AAA CA  1 ? 
ATOM   65   C  C   . HIS   A 1 10  ? -6.119  30.988 7.580   1.000 22.105 0 25  HIS   AAA C   1 ? 
ATOM   66   O  O   . HIS   A 1 10  ? -5.089  30.309 7.565   1.000 21.934 0 25  HIS   AAA O   1 ? 
ATOM   67   C  CB  . HIS   A 1 10  ? -4.857  33.172 7.361   1.000 23.076 0 25  HIS   AAA CB  1 ? 
ATOM   68   C  CG  . HIS   A 1 10  ? -4.930  34.570 6.845   1.000 21.839 0 25  HIS   AAA CG  1 ? 
ATOM   69   N  ND1 . HIS   A 1 10  ? -5.113  34.825 5.505   1.000 19.687 0 25  HIS   AAA ND1 1 ? 
ATOM   70   C  CD2 . HIS   A 1 10  ? -4.941  35.754 7.459   1.000 24.982 0 25  HIS   AAA CD2 1 ? 
ATOM   71   C  CE1 . HIS   A 1 10  ? -5.220  36.142 5.332   1.000 21.468 0 25  HIS   AAA CE1 1 ? 
ATOM   72   N  NE2 . HIS   A 1 10  ? -5.057  36.727 6.494   1.000 22.163 0 25  HIS   AAA NE2 1 ? 
ATOM   73   N  N   . SER   A 1 11  ? -7.279  30.523 8.058   1.000 21.897 0 26  SER   AAA N   1 ? 
ATOM   74   C  CA  . SER   A 1 11  ? -7.364  29.192 8.644   1.000 22.826 0 26  SER   AAA CA  1 ? 
ATOM   75   C  C   . SER   A 1 11  ? -7.338  28.112 7.553   1.000 23.034 0 26  SER   AAA C   1 ? 
ATOM   76   O  O   . SER   A 1 11  ? -7.191  26.949 7.878   1.000 22.671 0 26  SER   AAA O   1 ? 
ATOM   77   C  CB  . SER   A 1 11  ? -8.584  29.019 9.501   1.000 23.187 0 26  SER   AAA CB  1 ? 
ATOM   78   O  OG  . SER   A 1 11  ? -9.780  29.333 8.773   1.000 23.605 0 26  SER   AAA OG  1 ? 
ATOM   79   N  N   . ARG   A 1 12  ? -7.461  28.491 6.280   1.000 21.634 0 27  ARG   AAA N   1 ? 
ATOM   80   C  CA  . ARG   A 1 12  ? -7.443  27.529 5.179   1.000 23.371 0 27  ARG   AAA CA  1 ? 
ATOM   81   C  C   . ARG   A 1 12  ? -6.394  27.947 4.149   1.000 19.942 0 27  ARG   AAA C   1 ? 
ATOM   82   O  O   . ARG   A 1 12  ? -6.717  28.425 3.052   1.000 21.042 0 27  ARG   AAA O   1 ? 
ATOM   83   C  CB  . ARG   A 1 12  ? -8.821  27.478 4.526   1.000 22.613 0 27  ARG   AAA CB  1 ? 
ATOM   84   C  CG  . ARG   A 1 12  ? -9.943  27.181 5.497   1.000 26.516 0 27  ARG   AAA CG  1 ? 
ATOM   85   C  CD  . ARG   A 1 12  ? -9.852  25.764 6.010   1.000 30.856 0 27  ARG   AAA CD  1 ? 
ATOM   86   N  NE  . ARG   A 1 12  ? -11.019 25.372 6.794   1.000 34.854 0 27  ARG   AAA NE  1 ? 
ATOM   87   C  CZ  . ARG   A 1 12  ? -11.027 25.235 8.117   1.000 39.744 0 27  ARG   AAA CZ  1 ? 
ATOM   88   N  NH1 . ARG   A 1 12  ? -9.925  25.427 8.818   1.000 39.773 0 27  ARG   AAA NH1 1 ? 
ATOM   89   N  NH2 . ARG   A 1 12  ? -12.147 24.926 8.746   1.000 41.018 0 27  ARG   AAA NH2 1 ? 
ATOM   90   N  N   . PRO   A 1 13  ? -5.112  27.774 4.492   1.000 19.455 0 28  PRO   AAA N   1 ? 
ATOM   91   C  CA  . PRO   A 1 13  ? -4.031  28.480 3.827   1.000 18.631 0 28  PRO   AAA CA  1 ? 
ATOM   92   C  C   . PRO   A 1 13  ? -3.677  27.968 2.433   1.000 19.337 0 28  PRO   AAA C   1 ? 
ATOM   93   O  O   . PRO   A 1 13  ? -2.971  28.654 1.693   1.000 19.718 0 28  PRO   AAA O   1 ? 
ATOM   94   C  CB  . PRO   A 1 13  ? -2.888  28.349 4.854   1.000 20.402 0 28  PRO   AAA CB  1 ? 
ATOM   95   C  CG  . PRO   A 1 13  ? -3.154  27.094 5.624   1.000 20.989 0 28  PRO   AAA CG  1 ? 
ATOM   96   C  CD  . PRO   A 1 13  ? -4.652  26.961 5.632   1.000 20.734 0 28  PRO   AAA CD  1 ? 
ATOM   97   N  N   . TYR   A 1 14  ? -4.270  26.835 2.047   1.000 19.989 0 29  TYR   AAA N   1 ? 
ATOM   98   C  CA  . TYR   A 1 14  ? -4.163  26.285 0.696   1.000 18.968 0 29  TYR   AAA CA  1 ? 
ATOM   99   C  C   . TYR   A 1 14  ? -5.152  26.940 -0.275  1.000 17.952 0 29  TYR   AAA C   1 ? 
ATOM   100  O  O   . TYR   A 1 14  ? -5.067  26.676 -1.462  1.000 16.544 0 29  TYR   AAA O   1 ? 
ATOM   101  C  CB  . TYR   A 1 14  ? -4.425  24.772 0.735   1.000 18.686 0 29  TYR   AAA CB  1 ? 
ATOM   102  C  CG  . TYR   A 1 14  ? -5.595  24.380 1.610   1.000 19.110 0 29  TYR   AAA CG  1 ? 
ATOM   103  C  CD1 . TYR   A 1 14  ? -6.876  24.432 1.119   1.000 19.179 0 29  TYR   AAA CD1 1 ? 
ATOM   104  C  CD2 . TYR   A 1 14  ? -5.426  23.988 2.928   1.000 21.234 0 29  TYR   AAA CD2 1 ? 
ATOM   105  C  CE1 . TYR   A 1 14  ? -7.977  24.158 1.900   1.000 19.726 0 29  TYR   AAA CE1 1 ? 
ATOM   106  C  CE2 . TYR   A 1 14  ? -6.520  23.699 3.736   1.000 21.339 0 29  TYR   AAA CE2 1 ? 
ATOM   107  C  CZ  . TYR   A 1 14  ? -7.796  23.756 3.206   1.000 21.500 0 29  TYR   AAA CZ  1 ? 
ATOM   108  O  OH  . TYR   A 1 14  ? -8.936  23.443 3.899   1.000 20.147 0 29  TYR   AAA OH  1 ? 
ATOM   109  N  N   . MET   A 1 15  ? -6.092  27.771 0.209   1.000 16.715 0 30  MET   AAA N   1 ? 
ATOM   110  C  CA  . MET   A 1 15  ? -7.215  28.189 -0.612  1.000 17.015 0 30  MET   AAA CA  1 ? 
ATOM   111  C  C   . MET   A 1 15  ? -6.725  29.241 -1.599  1.000 18.268 0 30  MET   AAA C   1 ? 
ATOM   112  O  O   . MET   A 1 15  ? -5.966  30.147 -1.236  1.000 19.647 0 30  MET   AAA O   1 ? 
ATOM   113  C  CB  . MET   A 1 15  ? -8.370  28.734 0.237   1.000 17.299 0 30  MET   AAA CB  1 ? 
ATOM   114  C  CG  . MET   A 1 15  ? -9.268  27.640 0.853   1.000 18.813 0 30  MET   AAA CG  1 ? 
ATOM   115  S  SD  . MET   A 1 15  ? -10.102 26.566 -0.381  1.000 18.605 0 30  MET   AAA SD  1 ? 
ATOM   116  C  CE  . MET   A 1 15  ? -10.944 27.753 -1.432  1.000 17.120 0 30  MET   AAA CE  1 ? 
ATOM   117  N  N   . ALA   A 1 16  ? -7.182  29.094 -2.845  1.000 18.052 0 31  ALA   AAA N   1 ? 
ATOM   118  C  CA  . ALA   A 1 16  ? -6.770  29.943 -3.951  1.000 19.271 0 31  ALA   AAA CA  1 ? 
ATOM   119  C  C   . ALA   A 1 16  ? -8.010  30.649 -4.487  1.000 18.705 0 31  ALA   AAA C   1 ? 
ATOM   120  O  O   . ALA   A 1 16  ? -9.043  30.022 -4.688  1.000 18.794 0 31  ALA   AAA O   1 ? 
ATOM   121  C  CB  . ALA   A 1 16  ? -6.100  29.106 -5.023  1.000 18.892 0 31  ALA   AAA CB  1 ? 
ATOM   122  N  N   . TYR   A 1 17  ? -7.874  31.943 -4.765  1.000 18.434 0 32  TYR   AAA N   1 ? 
ATOM   123  C  CA  . TYR   A 1 17  ? -8.916  32.712 -5.415  1.000 16.357 0 32  TYR   AAA CA  1 ? 
ATOM   124  C  C   . TYR   A 1 17  ? -8.471  32.994 -6.846  1.000 16.086 0 32  TYR   AAA C   1 ? 
ATOM   125  O  O   . TYR   A 1 17  ? -7.401  33.547 -7.065  1.000 18.147 0 32  TYR   AAA O   1 ? 
ATOM   126  C  CB  . TYR   A 1 17  ? -9.174  33.985 -4.610  1.000 17.147 0 32  TYR   AAA CB  1 ? 
ATOM   127  C  CG  . TYR   A 1 17  ? -10.190 34.951 -5.171  1.000 17.913 0 32  TYR   AAA CG  1 ? 
ATOM   128  C  CD1 . TYR   A 1 17  ? -11.539 34.827 -4.876  1.000 19.105 0 32  TYR   AAA CD1 1 ? 
ATOM   129  C  CD2 . TYR   A 1 17  ? -9.801  36.016 -5.970  1.000 20.116 0 32  TYR   AAA CD2 1 ? 
ATOM   130  C  CE1 . TYR   A 1 17  ? -12.470 35.711 -5.376  1.000 20.618 0 32  TYR   AAA CE1 1 ? 
ATOM   131  C  CE2 . TYR   A 1 17  ? -10.711 36.944 -6.439  1.000 20.347 0 32  TYR   AAA CE2 1 ? 
ATOM   132  C  CZ  . TYR   A 1 17  ? -12.062 36.772 -6.160  1.000 22.911 0 32  TYR   AAA CZ  1 ? 
ATOM   133  O  OH  . TYR   A 1 17  ? -13.034 37.664 -6.563  1.000 22.063 0 32  TYR   AAA OH  1 ? 
ATOM   134  N  N   . LEU   A 1 18  ? -9.304  32.589 -7.809  1.000 16.131 0 33  LEU   AAA N   1 ? 
ATOM   135  C  CA  . LEU   A 1 18  ? -8.989  32.639 -9.224  1.000 17.457 0 33  LEU   AAA CA  1 ? 
ATOM   136  C  C   . LEU   A 1 18  ? -9.821  33.722 -9.891  1.000 17.955 0 33  LEU   AAA C   1 ? 
ATOM   137  O  O   . LEU   A 1 18  ? -11.035 33.652 -9.863  1.000 17.784 0 33  LEU   AAA O   1 ? 
ATOM   138  C  CB  . LEU   A 1 18  ? -9.333  31.290 -9.876  1.000 18.797 0 33  LEU   AAA CB  1 ? 
ATOM   139  C  CG  . LEU   A 1 18  ? -8.245  30.228 -9.893  1.000 18.597 0 33  LEU   AAA CG  1 ? 
ATOM   140  C  CD1 . LEU   A 1 18  ? -7.723  29.980 -8.483  1.000 19.126 0 33  LEU   AAA CD1 1 ? 
ATOM   141  C  CD2 . LEU   A 1 18  ? -8.794  28.952 -10.510 1.000 17.634 0 33  LEU   AAA CD2 1 ? 
ATOM   142  N  N   . GLU   A 1 19  ? -9.138  34.623 -10.588 1.000 18.376 0 34  GLU   AAA N   1 ? 
ATOM   143  C  CA  . GLU   A 1 19  ? -9.825  35.621 -11.442 1.000 19.716 0 34  GLU   AAA CA  1 ? 
ATOM   144  C  C   . GLU   A 1 19  ? -9.551  35.180 -12.881 1.000 19.450 0 34  GLU   AAA C   1 ? 
ATOM   145  O  O   . GLU   A 1 19  ? -8.374  35.158 -13.279 1.000 19.829 0 34  GLU   AAA O   1 ? 
ATOM   146  C  CB  . GLU   A 1 19  ? -9.327  37.043 -11.213 1.000 22.740 0 34  GLU   AAA CB  1 ? 
ATOM   147  C  CG  . GLU   A 1 19  ? -9.874  38.025 -12.231 1.000 26.519 0 34  GLU   AAA CG  1 ? 
ATOM   148  C  CD  . GLU   A 1 19  ? -10.033 39.448 -11.725 1.000 32.778 0 34  GLU   AAA CD  1 ? 
ATOM   149  O  OE1 . GLU   A 1 19  ? -9.803  39.678 -10.528 1.000 34.349 0 34  GLU   AAA OE1 1 ? 
ATOM   150  O  OE2 . GLU   A 1 19  ? -10.384 40.319 -12.535 1.000 42.284 0 34  GLU   AAA OE2 1 ? 
ATOM   151  N  N   . ILE   A 1 20  ? -10.596 34.834 -13.616 1.000 19.229 0 35  ILE   AAA N   1 ? 
ATOM   152  C  CA  . ILE   A 1 20  ? -10.413 34.243 -14.968 1.000 20.147 0 35  ILE   AAA CA  1 ? 
ATOM   153  C  C   . ILE   A 1 20  ? -10.799 35.247 -16.054 1.000 21.945 0 35  ILE   AAA C   1 ? 
ATOM   154  O  O   . ILE   A 1 20  ? -11.914 35.771 -16.003 1.000 21.937 0 35  ILE   AAA O   1 ? 
ATOM   155  C  CB  . ILE   A 1 20  ? -11.214 32.933 -15.085 1.000 19.884 0 35  ILE   AAA CB  1 ? 
ATOM   156  C  CG1 . ILE   A 1 20  ? -10.785 31.929 -14.012 1.000 20.834 0 35  ILE   AAA CG1 1 ? 
ATOM   157  C  CG2 . ILE   A 1 20  ? -11.110 32.346 -16.482 1.000 20.692 0 35  ILE   AAA CG2 1 ? 
ATOM   158  C  CD1 . ILE   A 1 20  ? -11.905 31.462 -13.127 1.000 21.239 0 35  ILE   AAA CD1 1 ? 
ATOM   159  N  N   . VAL   A 1 21  ? -9.905  35.431 -17.014 1.000 24.037 0 36  VAL   AAA N   1 ? 
ATOM   160  C  CA  . VAL   A 1 21  ? -10.152 36.374 -18.136 1.000 26.990 0 36  VAL   AAA CA  1 ? 
ATOM   161  C  C   . VAL   A 1 21  ? -10.601 35.624 -19.395 1.000 26.229 0 36  VAL   AAA C   1 ? 
ATOM   162  O  O   . VAL   A 1 21  ? -10.030 34.570 -19.681 1.000 25.490 0 36  VAL   AAA O   1 ? 
ATOM   163  C  CB  . VAL   A 1 21  ? -8.895  37.218 -18.426 1.000 28.330 0 36  VAL   AAA CB  1 ? 
ATOM   164  C  CG1 . VAL   A 1 21  ? -9.024  37.998 -19.722 1.000 30.712 0 36  VAL   AAA CG1 1 ? 
ATOM   165  C  CG2 . VAL   A 1 21  ? -8.552  38.142 -17.270 1.000 32.020 0 36  VAL   AAA CG2 1 ? 
ATOM   166  N  N   . THR   A 1 22  A -11.598 36.158 -20.086 1.000 30.577 0 36  THR   AAA N   1 ? 
ATOM   167  C  CA  . THR   A 1 22  A -12.048 35.633 -21.398 1.000 35.354 0 36  THR   AAA CA  1 ? 
ATOM   168  C  C   . THR   A 1 22  A -11.978 36.808 -22.380 1.000 37.144 0 36  THR   AAA C   1 ? 
ATOM   169  O  O   . THR   A 1 22  A -12.107 37.947 -21.906 1.000 36.968 0 36  THR   AAA O   1 ? 
ATOM   170  C  CB  . THR   A 1 22  A -13.464 35.064 -21.322 1.000 35.741 0 36  THR   AAA CB  1 ? 
ATOM   171  O  OG1 . THR   A 1 22  A -14.305 36.036 -20.702 1.000 37.015 0 36  THR   AAA OG1 1 ? 
ATOM   172  C  CG2 . THR   A 1 22  A -13.520 33.758 -20.565 1.000 40.844 0 36  THR   AAA CG2 1 ? 
ATOM   173  N  N   . SER   A 1 23  B -11.833 36.541 -23.680 1.000 44.532 0 36  SER   AAA N   1 ? 
ATOM   174  C  CA  . SER   A 1 23  B -11.673 37.597 -24.680 1.000 48.508 0 36  SER   AAA CA  1 ? 
ATOM   175  C  C   . SER   A 1 23  B -12.976 38.387 -24.930 1.000 46.735 0 36  SER   AAA C   1 ? 
ATOM   176  O  O   . SER   A 1 23  B -12.889 39.578 -25.291 1.000 39.931 0 36  SER   AAA O   1 ? 
ATOM   177  C  CB  . SER   A 1 23  B -11.058 37.061 -25.977 1.000 53.899 0 36  SER   AAA CB  1 ? 
ATOM   178  O  OG  . SER   A 1 23  B -9.618  37.066 -25.926 1.000 56.199 0 36  SER   AAA OG  1 ? 
ATOM   179  N  N   . ASN   A 1 24  C -14.146 37.757 -24.650 1.000 39.631 0 36  ASN   AAA N   1 ? 
ATOM   180  C  CA  . ASN   A 1 24  C -15.468 38.245 -25.040 1.000 38.097 0 36  ASN   AAA CA  1 ? 
ATOM   181  C  C   . ASN   A 1 24  C -16.415 38.535 -23.864 1.000 36.604 0 36  ASN   AAA C   1 ? 
ATOM   182  O  O   . ASN   A 1 24  C -17.621 38.701 -24.075 1.000 35.596 0 36  ASN   AAA O   1 ? 
ATOM   183  C  CB  . ASN   A 1 24  C -16.201 37.163 -25.833 1.000 42.842 0 36  ASN   AAA CB  1 ? 
ATOM   184  C  CG  . ASN   A 1 24  C -16.398 35.929 -24.977 1.000 48.024 0 36  ASN   AAA CG  1 ? 
ATOM   185  O  OD1 . ASN   A 1 24  C -15.647 35.711 -24.022 1.000 43.316 0 36  ASN   AAA OD1 1 ? 
ATOM   186  N  ND2 . ASN   A 1 24  C -17.382 35.107 -25.312 1.000 54.738 0 36  ASN   AAA ND2 1 ? 
ATOM   187  N  N   . GLY   A 1 25  ? -15.927 38.505 -22.614 1.000 33.246 0 37  GLY   AAA N   1 ? 
ATOM   188  C  CA  . GLY   A 1 25  ? -16.734 38.840 -21.445 1.000 29.975 0 37  GLY   AAA CA  1 ? 
ATOM   189  C  C   . GLY   A 1 25  ? -15.883 39.423 -20.322 1.000 29.659 0 37  GLY   AAA C   1 ? 
ATOM   190  O  O   . GLY   A 1 25  ? -14.655 39.373 -20.393 1.000 25.711 0 37  GLY   AAA O   1 ? 
ATOM   191  N  N   . PRO   A 1 26  ? -16.487 40.009 -19.253 1.000 28.488 0 38  PRO   AAA N   1 ? 
ATOM   192  C  CA  . PRO   A 1 26  ? -15.715 40.468 -18.096 1.000 28.427 0 38  PRO   AAA CA  1 ? 
ATOM   193  C  C   . PRO   A 1 26  ? -15.179 39.279 -17.296 1.000 25.753 0 38  PRO   AAA C   1 ? 
ATOM   194  O  O   . PRO   A 1 26  ? -15.507 38.144 -17.582 1.000 22.345 0 38  PRO   AAA O   1 ? 
ATOM   195  C  CB  . PRO   A 1 26  ? -16.734 41.271 -17.271 1.000 29.509 0 38  PRO   AAA CB  1 ? 
ATOM   196  C  CG  . PRO   A 1 26  ? -18.063 40.607 -17.611 1.000 30.956 0 38  PRO   AAA CG  1 ? 
ATOM   197  C  CD  . PRO   A 1 26  ? -17.934 40.216 -19.075 1.000 31.496 0 38  PRO   AAA CD  1 ? 
ATOM   198  N  N   . SER   A 1 27  ? -14.368 39.597 -16.302 1.000 24.490 0 39  SER   AAA N   1 ? 
ATOM   199  C  CA  . SER   A 1 27  ? -13.742 38.552 -15.469 1.000 24.608 0 39  SER   AAA CA  1 ? 
ATOM   200  C  C   . SER   A 1 27  ? -14.759 37.667 -14.744 1.000 25.714 0 39  SER   AAA C   1 ? 
ATOM   201  O  O   . SER   A 1 27  ? -15.840 38.166 -14.408 1.000 26.098 0 39  SER   AAA O   1 ? 
ATOM   202  C  CB  . SER   A 1 27  ? -12.817 39.218 -14.473 1.000 25.095 0 39  SER   AAA CB  1 ? 
ATOM   203  O  OG  . SER   A 1 27  ? -11.653 39.716 -15.101 1.000 27.122 0 39  SER   AAA OG  1 ? 
ATOM   204  N  N   . LYS   A 1 28  ? -14.455 36.380 -14.599 1.000 24.282 0 40  LYS   AAA N   1 ? 
ATOM   205  C  CA  . LYS   A 1 28  ? -15.224 35.485 -13.739 1.000 25.811 0 40  LYS   AAA CA  1 ? 
ATOM   206  C  C   . LYS   A 1 28  ? -14.292 34.932 -12.671 1.000 22.055 0 40  LYS   AAA C   1 ? 
ATOM   207  O  O   . LYS   A 1 28  ? -13.082 35.136 -12.751 1.000 20.931 0 40  LYS   AAA O   1 ? 
ATOM   208  C  CB  . LYS   A 1 28  ? -15.967 34.386 -14.503 1.000 28.777 0 40  LYS   AAA CB  1 ? 
ATOM   209  C  CG  . LYS   A 1 28  ? -15.133 33.290 -15.135 1.000 36.965 0 40  LYS   AAA CG  1 ? 
ATOM   210  C  CD  . LYS   A 1 28  ? -15.958 32.012 -15.389 1.000 44.582 0 40  LYS   AAA CD  1 ? 
ATOM   211  C  CE  . LYS   A 1 28  ? -15.822 30.967 -14.289 1.000 49.993 0 40  LYS   AAA CE  1 ? 
ATOM   212  N  NZ  . LYS   A 1 28  ? -16.935 29.979 -14.247 1.000 48.156 0 40  LYS   AAA NZ  1 ? 
ATOM   213  N  N   . PHE   A 1 29  ? -14.879 34.300 -11.653 1.000 19.550 0 41  PHE   AAA N   1 ? 
ATOM   214  C  CA  . PHE   A 1 29  ? -14.126 33.937 -10.461 1.000 22.395 0 41  PHE   AAA CA  1 ? 
ATOM   215  C  C   . PHE   A 1 29  ? -14.420 32.481 -10.110 1.000 19.558 0 41  PHE   AAA C   1 ? 
ATOM   216  O  O   . PHE   A 1 29  ? -15.497 31.974 -10.404 1.000 18.763 0 41  PHE   AAA O   1 ? 
ATOM   217  C  CB  . PHE   A 1 29  ? -14.426 34.941 -9.337  1.000 27.866 0 41  PHE   AAA CB  1 ? 
ATOM   218  C  CG  . PHE   A 1 29  ? -14.268 36.379 -9.765  1.000 31.341 0 41  PHE   AAA CG  1 ? 
ATOM   219  C  CD1 . PHE   A 1 29  ? -15.260 37.026 -10.510 1.000 33.296 0 41  PHE   AAA CD1 1 ? 
ATOM   220  C  CD2 . PHE   A 1 29  ? -13.099 37.082 -9.491  1.000 33.930 0 41  PHE   AAA CD2 1 ? 
ATOM   221  C  CE1 . PHE   A 1 29  ? -15.090 38.344 -10.940 1.000 33.638 0 41  PHE   AAA CE1 1 ? 
ATOM   222  C  CE2 . PHE   A 1 29  ? -12.931 38.394 -9.934  1.000 33.572 0 41  PHE   AAA CE2 1 ? 
ATOM   223  C  CZ  . PHE   A 1 29  ? -13.925 39.020 -10.654 1.000 34.907 0 41  PHE   AAA CZ  1 ? 
ATOM   224  N  N   . CYS   A 1 30  ? -13.421 31.819 -9.531  1.000 17.457 0 42  CYS   AAA N   1 ? 
ATOM   225  C  CA  . CYS   A 1 30  ? -13.521 30.455 -9.038  1.000 16.815 0 42  CYS   AAA CA  1 ? 
ATOM   226  C  C   . CYS   A 1 30  ? -12.653 30.353 -7.789  1.000 16.657 0 42  CYS   AAA C   1 ? 
ATOM   227  O  O   . CYS   A 1 30  ? -11.819 31.216 -7.530  1.000 15.928 0 42  CYS   AAA O   1 ? 
ATOM   228  C  CB  . CYS   A 1 30  ? -13.009 29.419 -10.050 1.000 16.312 0 42  CYS   AAA CB  1 ? 
ATOM   229  S  SG  . CYS   A 1 30  ? -14.142 29.069 -11.438 1.000 20.595 0 42  CYS   AAA SG  1 ? 
ATOM   230  N  N   . GLY   A 1 31  ? -12.788 29.229 -7.101  1.000 16.126 0 43  GLY   AAA N   1 ? 
ATOM   231  C  CA  . GLY   A 1 31  ? -11.797 28.751 -6.164  1.000 16.078 0 43  GLY   AAA CA  1 ? 
ATOM   232  C  C   . GLY   A 1 31  ? -10.823 27.729 -6.760  1.000 16.173 0 43  GLY   AAA C   1 ? 
ATOM   233  O  O   . GLY   A 1 31  ? -10.862 27.362 -7.930  1.000 18.107 0 43  GLY   AAA O   1 ? 
ATOM   234  N  N   . GLY   A 1 32  ? -9.952  27.241 -5.878  1.000 16.360 0 44  GLY   AAA N   1 ? 
ATOM   235  C  CA  . GLY   A 1 32  ? -8.894  26.305 -6.199  1.000 16.373 0 44  GLY   AAA CA  1 ? 
ATOM   236  C  C   . GLY   A 1 32  ? -8.035  26.073 -4.970  1.000 16.889 0 44  GLY   AAA C   1 ? 
ATOM   237  O  O   . GLY   A 1 32  ? -8.292  26.650 -3.914  1.000 18.255 0 44  GLY   AAA O   1 ? 
ATOM   238  N  N   . PHE   A 1 33  ? -7.027  25.220 -5.091  1.000 16.157 0 45  PHE   AAA N   1 ? 
ATOM   239  C  CA  . PHE   A 1 33  ? -6.214  24.951 -3.928  1.000 17.642 0 45  PHE   AAA CA  1 ? 
ATOM   240  C  C   . PHE   A 1 33  ? -4.792  24.630 -4.330  1.000 18.173 0 45  PHE   AAA C   1 ? 
ATOM   241  O  O   . PHE   A 1 33  ? -4.523  24.061 -5.379  1.000 17.560 0 45  PHE   AAA O   1 ? 
ATOM   242  C  CB  . PHE   A 1 33  ? -6.834  23.905 -3.004  1.000 19.365 0 45  PHE   AAA CB  1 ? 
ATOM   243  C  CG  . PHE   A 1 33  ? -7.211  22.576 -3.612  1.000 21.929 0 45  PHE   AAA CG  1 ? 
ATOM   244  C  CD1 . PHE   A 1 33  ? -8.262  22.486 -4.521  1.000 25.453 0 45  PHE   AAA CD1 1 ? 
ATOM   245  C  CD2 . PHE   A 1 33  ? -6.598  21.413 -3.191  1.000 24.237 0 45  PHE   AAA CD2 1 ? 
ATOM   246  C  CE1 . PHE   A 1 33  ? -8.654  21.260 -5.032  1.000 27.951 0 45  PHE   AAA CE1 1 ? 
ATOM   247  C  CE2 . PHE   A 1 33  ? -6.987  20.190 -3.709  1.000 23.205 0 45  PHE   AAA CE2 1 ? 
ATOM   248  C  CZ  . PHE   A 1 33  ? -8.009  20.120 -4.625  1.000 26.498 0 45  PHE   AAA CZ  1 ? 
ATOM   249  N  N   . LEU   A 1 34  ? -3.870  25.071 -3.475  1.000 20.595 0 46  LEU   AAA N   1 ? 
ATOM   250  C  CA  . LEU   A 1 34  ? -2.454  24.925 -3.762  1.000 19.539 0 46  LEU   AAA CA  1 ? 
ATOM   251  C  C   . LEU   A 1 34  ? -2.022  23.525 -3.354  1.000 18.207 0 46  LEU   AAA C   1 ? 
ATOM   252  O  O   . LEU   A 1 34  ? -2.084  23.176 -2.175  1.000 17.615 0 46  LEU   AAA O   1 ? 
ATOM   253  C  CB  . LEU   A 1 34  ? -1.699  25.999 -2.981  1.000 19.292 0 46  LEU   AAA CB  1 ? 
ATOM   254  C  CG  . LEU   A 1 34  ? -0.252  26.168 -3.401  1.000 19.794 0 46  LEU   AAA CG  1 ? 
ATOM   255  C  CD1 . LEU   A 1 34  ? -0.172  26.917 -4.741  1.000 18.965 0 46  LEU   AAA CD1 1 ? 
ATOM   256  C  CD2 . LEU   A 1 34  ? 0.541   26.877 -2.305  1.000 21.463 0 46  LEU   AAA CD2 1 ? 
ATOM   257  N  N   . ILE   A 1 35  ? -1.606  22.726 -4.344  1.000 19.223 0 47  ILE   AAA N   1 ? 
ATOM   258  C  CA  . ILE   A 1 35  ? -1.162  21.367 -4.082  1.000 20.271 0 47  ILE   AAA CA  1 ? 
ATOM   259  C  C   . ILE   A 1 35  ? 0.364   21.252 -4.124  1.000 20.323 0 47  ILE   AAA C   1 ? 
ATOM   260  O  O   . ILE   A 1 35  ? 0.918   20.297 -3.586  1.000 20.071 0 47  ILE   AAA O   1 ? 
ATOM   261  C  CB  . ILE   A 1 35  ? -1.823  20.343 -5.029  1.000 21.095 0 47  ILE   AAA CB  1 ? 
ATOM   262  C  CG1 . ILE   A 1 35  ? -1.565  20.620 -6.519  1.000 21.868 0 47  ILE   AAA CG1 1 ? 
ATOM   263  C  CG2 . ILE   A 1 35  ? -3.312  20.221 -4.718  1.000 22.211 0 47  ILE   AAA CG2 1 ? 
ATOM   264  C  CD1 . ILE   A 1 35  ? -1.618  19.356 -7.342  1.000 23.961 0 47  ILE   AAA CD1 1 ? 
ATOM   265  N  N   . ARG   A 1 36  ? 1.017   22.126 -4.879  1.000 20.892 0 48  ARG   AAA N   1 ? 
ATOM   266  C  CA  . ARG   A 1 36  ? 2.470   22.265 -4.858  1.000 22.471 0 48  ARG   AAA CA  1 ? 
ATOM   267  C  C   . ARG   A 1 36  ? 2.748   23.759 -4.821  1.000 21.081 0 48  ARG   AAA C   1 ? 
ATOM   268  O  O   . ARG   A 1 36  ? 1.839   24.527 -5.126  1.000 17.539 0 48  ARG   AAA O   1 ? 
ATOM   269  C  CB  . ARG   A 1 36  ? 3.101   21.660 -6.118  1.000 25.092 0 48  ARG   AAA CB  1 ? 
ATOM   270  C  CG  . ARG   A 1 36  ? 2.870   20.173 -6.301  1.000 26.340 0 48  ARG   AAA CG  1 ? 
ATOM   271  C  CD  . ARG   A 1 36  ? 3.841   19.375 -5.470  1.000 29.385 0 48  ARG   AAA CD  1 ? 
ATOM   272  N  NE  . ARG   A 1 36  ? 3.739   17.925 -5.633  1.000 28.448 0 48  ARG   AAA NE  1 ? 
ATOM   273  C  CZ  . ARG   A 1 36  ? 2.769   17.157 -5.152  1.000 33.351 0 48  ARG   AAA CZ  1 ? 
ATOM   274  N  NH1 . ARG   A 1 36  ? 1.778   17.681 -4.456  1.000 33.851 0 48  ARG   AAA NH1 1 ? 
ATOM   275  N  NH2 . ARG   A 1 36  ? 2.747   15.863 -5.438  1.000 36.291 0 48  ARG   AAA NH2 1 ? 
ATOM   276  N  N   . ARG   A 1 37  ? 3.973   24.181 -4.491  1.000 18.392 0 49  ARG   AAA N   1 ? 
ATOM   277  C  CA  . ARG   A 1 37  ? 4.186   25.621 -4.396  1.000 20.363 0 49  ARG   AAA CA  1 ? 
ATOM   278  C  C   . ARG   A 1 37  ? 3.902   26.321 -5.733  1.000 20.373 0 49  ARG   AAA C   1 ? 
ATOM   279  O  O   . ARG   A 1 37  ? 3.633   27.521 -5.713  1.000 21.342 0 49  ARG   AAA O   1 ? 
ATOM   280  C  CB  . ARG   A 1 37  ? 5.589   25.936 -3.879  1.000 18.658 0 49  ARG   AAA CB  1 ? 
ATOM   281  C  CG  . ARG   A 1 37  ? 5.764   25.669 -2.389  1.000 18.350 0 49  ARG   AAA CG  1 ? 
ATOM   282  C  CD  . ARG   A 1 37  ? 7.186   25.802 -1.875  1.000 18.581 0 49  ARG   AAA CD  1 ? 
ATOM   283  N  NE  . ARG   A 1 37  ? 7.549   27.204 -1.774  1.000 18.618 0 49  ARG   AAA NE  1 ? 
ATOM   284  C  CZ  . ARG   A 1 37  ? 8.743   27.661 -1.424  1.000 20.366 0 49  ARG   AAA CZ  1 ? 
ATOM   285  N  NH1 . ARG   A 1 37  ? 9.729   26.826 -1.110  1.000 21.434 0 49  ARG   AAA NH1 1 ? 
ATOM   286  N  NH2 . ARG   A 1 37  ? 8.948   28.962 -1.424  1.000 19.539 0 49  ARG   AAA NH2 1 ? 
ATOM   287  N  N   . ASN   A 1 38  ? 3.991   25.601 -6.874  1.000 18.305 0 50  ASN   AAA N   1 ? 
ATOM   288  C  CA  . ASN   A 1 38  ? 3.717   26.209 -8.176  1.000 19.676 0 50  ASN   AAA CA  1 ? 
ATOM   289  C  C   . ASN   A 1 38  ? 2.562   25.552 -8.939  1.000 18.447 0 50  ASN   AAA C   1 ? 
ATOM   290  O  O   . ASN   A 1 38  ? 2.463   25.726 -10.146 1.000 20.187 0 50  ASN   AAA O   1 ? 
ATOM   291  C  CB  . ASN   A 1 38  ? 4.943   26.235 -9.084  1.000 20.116 0 50  ASN   AAA CB  1 ? 
ATOM   292  C  CG  . ASN   A 1 38  ? 5.529   24.873 -9.344  1.000 21.711 0 50  ASN   AAA CG  1 ? 
ATOM   293  O  OD1 . ASN   A 1 38  ? 5.201   23.887 -8.682  1.000 23.471 0 50  ASN   AAA OD1 1 ? 
ATOM   294  N  ND2 . ASN   A 1 38  ? 6.389   24.826 -10.332 1.000 22.605 0 50  ASN   AAA ND2 1 ? 
ATOM   295  N  N   . PHE   A 1 39  ? 1.709   24.777 -8.263  1.000 19.008 0 51  PHE   AAA N   1 ? 
ATOM   296  C  CA  . PHE   A 1 39  ? 0.530   24.204 -8.903  1.000 18.631 0 51  PHE   AAA CA  1 ? 
ATOM   297  C  C   . PHE   A 1 39  ? -0.720  24.428 -8.049  1.000 19.208 0 51  PHE   AAA C   1 ? 
ATOM   298  O  O   . PHE   A 1 39  ? -0.729  24.120 -6.849  1.000 18.947 0 51  PHE   AAA O   1 ? 
ATOM   299  C  CB  . PHE   A 1 39  ? 0.698   22.704 -9.166  1.000 20.566 0 51  PHE   AAA CB  1 ? 
ATOM   300  C  CG  . PHE   A 1 39  ? 1.414   22.406 -10.450 1.000 22.911 0 51  PHE   AAA CG  1 ? 
ATOM   301  C  CD1 . PHE   A 1 39  ? 0.721   22.346 -11.642 1.000 23.950 0 51  PHE   AAA CD1 1 ? 
ATOM   302  C  CD2 . PHE   A 1 39  ? 2.789   22.246 -10.468 1.000 25.358 0 51  PHE   AAA CD2 1 ? 
ATOM   303  C  CE1 . PHE   A 1 39  ? 1.386   22.125 -12.831 1.000 25.893 0 51  PHE   AAA CE1 1 ? 
ATOM   304  C  CE2 . PHE   A 1 39  ? 3.453   21.994 -11.657 1.000 26.385 0 51  PHE   AAA CE2 1 ? 
ATOM   305  C  CZ  . PHE   A 1 39  ? 2.747   21.935 -12.832 1.000 26.777 0 51  PHE   AAA CZ  1 ? 
ATOM   306  N  N   . VAL   A 1 40  ? -1.788  24.887 -8.725  1.000 17.473 0 52  VAL   AAA N   1 ? 
ATOM   307  C  CA  . VAL   A 1 40  ? -3.117  24.978 -8.149  1.000 16.918 0 52  VAL   AAA CA  1 ? 
ATOM   308  C  C   . VAL   A 1 40  ? -4.066  24.027 -8.867  1.000 17.170 0 52  VAL   AAA C   1 ? 
ATOM   309  O  O   . VAL   A 1 40  ? -4.053  23.950 -10.083 1.000 18.373 0 52  VAL   AAA O   1 ? 
ATOM   310  C  CB  . VAL   A 1 40  ? -3.613  26.427 -8.213  1.000 16.623 0 52  VAL   AAA CB  1 ? 
ATOM   311  C  CG1 . VAL   A 1 40  ? -5.109  26.570 -8.001  1.000 17.089 0 52  VAL   AAA CG1 1 ? 
ATOM   312  C  CG2 . VAL   A 1 40  ? -2.821  27.269 -7.235  1.000 16.873 0 52  VAL   AAA CG2 1 ? 
ATOM   313  N  N   . LEU   A 1 41  ? -4.889  23.314 -8.090  1.000 15.589 0 53  LEU   AAA N   1 ? 
ATOM   314  C  CA  . LEU   A 1 41  ? -5.883  22.408 -8.634  1.000 16.576 0 53  LEU   AAA CA  1 ? 
ATOM   315  C  C   . LEU   A 1 41  ? -7.224  23.133 -8.585  1.000 17.734 0 53  LEU   AAA C   1 ? 
ATOM   316  O  O   . LEU   A 1 41  ? -7.510  23.832 -7.612  1.000 17.915 0 53  LEU   AAA O   1 ? 
ATOM   317  C  CB  . LEU   A 1 41  ? -5.880  21.136 -7.773  1.000 16.697 0 53  LEU   AAA CB  1 ? 
ATOM   318  C  CG  . LEU   A 1 41  ? -6.654  19.930 -8.285  1.000 18.465 0 53  LEU   AAA CG  1 ? 
ATOM   319  C  CD1 . LEU   A 1 41  ? -6.259  19.592 -9.722  1.000 20.734 0 53  LEU   AAA CD1 1 ? 
ATOM   320  C  CD2 . LEU   A 1 41  ? -6.425  18.730 -7.373  1.000 19.723 0 53  LEU   AAA CD2 1 ? 
ATOM   321  N  N   . THR   A 1 42  ? -8.017  22.996 -9.643  1.000 17.536 0 54  THR   AAA N   1 ? 
ATOM   322  C  CA  . THR   A 1 42  ? -9.331  23.619 -9.711  1.000 16.915 0 54  THR   AAA CA  1 ? 
ATOM   323  C  C   . THR   A 1 42  ? -10.187 22.824 -10.702 1.000 17.105 0 54  THR   AAA C   1 ? 
ATOM   324  O  O   . THR   A 1 42  ? -9.829  21.719 -11.121 1.000 16.631 0 54  THR   AAA O   1 ? 
ATOM   325  C  CB  . THR   A 1 42  ? -9.157  25.106 -10.098 1.000 16.905 0 54  THR   AAA CB  1 ? 
ATOM   326  O  OG1 . THR   A 1 42  ? -10.384 25.822 -10.022 1.000 15.955 0 54  THR   AAA OG1 1 ? 
ATOM   327  C  CG2 . THR   A 1 42  ? -8.611  25.295 -11.501 1.000 16.457 0 54  THR   AAA CG2 1 ? 
ATOM   328  N  N   . ALA   A 1 43  ? -11.306 23.400 -11.111 1.000 18.223 0 55  ALA   AAA N   1 ? 
ATOM   329  C  CA  . ALA   A 1 43  ? -12.180 22.738 -12.076 1.000 18.242 0 55  ALA   AAA CA  1 ? 
ATOM   330  C  C   . ALA   A 1 43  ? -11.847 23.203 -13.488 1.000 18.981 0 55  ALA   AAA C   1 ? 
ATOM   331  O  O   . ALA   A 1 43  ? -11.487 24.371 -13.699 1.000 18.168 0 55  ALA   AAA O   1 ? 
ATOM   332  C  CB  . ALA   A 1 43  ? -13.608 23.043 -11.721 1.000 18.663 0 55  ALA   AAA CB  1 ? 
ATOM   333  N  N   . ALA   A 1 44  ? -12.028 22.295 -14.466 1.000 18.252 0 56  ALA   AAA N   1 ? 
ATOM   334  C  CA  . ALA   A 1 44  ? -11.815 22.610 -15.875 1.000 19.339 0 56  ALA   AAA CA  1 ? 
ATOM   335  C  C   . ALA   A 1 44  ? -12.725 23.742 -16.384 1.000 18.289 0 56  ALA   AAA C   1 ? 
ATOM   336  O  O   . ALA   A 1 44  ? -12.313 24.508 -17.247 1.000 19.402 0 56  ALA   AAA O   1 ? 
ATOM   337  C  CB  . ALA   A 1 44  ? -11.987 21.369 -16.728 1.000 19.294 0 56  ALA   AAA CB  1 ? 
ATOM   338  N  N   . HIS   A 1 45  ? -13.952 23.847 -15.875 1.000 19.026 0 57  HIS   AAA N   1 ? 
ATOM   339  C  CA  . HIS   A 1 45  ? -14.878 24.876 -16.343 1.000 19.055 0 57  HIS   AAA CA  1 ? 
ATOM   340  C  C   . HIS   A 1 45  ? -14.421 26.260 -15.917 1.000 19.358 0 57  HIS   AAA C   1 ? 
ATOM   341  O  O   . HIS   A 1 45  ? -14.993 27.239 -16.363 1.000 19.921 0 57  HIS   AAA O   1 ? 
ATOM   342  C  CB  . HIS   A 1 45  ? -16.322 24.635 -15.914 1.000 20.884 0 57  HIS   AAA CB  1 ? 
ATOM   343  C  CG  . HIS   A 1 45  ? -16.633 24.781 -14.457 1.000 23.519 0 57  HIS   AAA CG  1 ? 
ATOM   344  N  ND1 . HIS   A 1 45  ? -16.717 23.692 -13.603 1.000 26.056 0 57  HIS   AAA ND1 1 ? 
ATOM   345  C  CD2 . HIS   A 1 45  ? -16.927 25.861 -13.713 1.000 25.461 0 57  HIS   AAA CD2 1 ? 
ATOM   346  C  CE1 . HIS   A 1 45  ? -17.068 24.093 -12.396 1.000 23.771 0 57  HIS   AAA CE1 1 ? 
ATOM   347  N  NE2 . HIS   A 1 45  ? -17.176 25.421 -12.431 1.000 28.174 0 57  HIS   AAA NE2 1 ? 
ATOM   348  N  N   . CYS   A 1 46  ? -13.376 26.342 -15.080 1.000 18.100 0 58  CYS   AAA N   1 ? 
ATOM   349  C  CA  . CYS   A 1 46  ? -12.797 27.626 -14.722 1.000 18.705 0 58  CYS   AAA CA  1 ? 
ATOM   350  C  C   . CYS   A 1 46  ? -11.682 28.063 -15.688 1.000 18.894 0 58  CYS   AAA C   1 ? 
ATOM   351  O  O   . CYS   A 1 46  ? -11.038 29.090 -15.455 1.000 20.839 0 58  CYS   AAA O   1 ? 
ATOM   352  C  CB  . CYS   A 1 46  ? -12.244 27.548 -13.301 1.000 18.871 0 58  CYS   AAA CB  1 ? 
ATOM   353  S  SG  . CYS   A 1 46  ? -13.512 27.216 -12.053 1.000 20.560 0 58  CYS   AAA SG  1 ? 
ATOM   354  N  N   . ALA   A 1 47  ? -11.456 27.315 -16.773 1.000 18.421 0 59  ALA   AAA N   1 ? 
ATOM   355  C  CA  . ALA   A 1 47  ? -10.445 27.691 -17.753 1.000 17.636 0 59  ALA   AAA CA  1 ? 
ATOM   356  C  C   . ALA   A 1 47  ? -10.817 29.006 -18.442 1.000 17.844 0 59  ALA   AAA C   1 ? 
ATOM   357  O  O   . ALA   A 1 47  ? -11.996 29.314 -18.587 1.000 19.321 0 59  ALA   AAA O   1 ? 
ATOM   358  C  CB  . ALA   A 1 47  ? -10.264 26.603 -18.757 1.000 18.444 0 59  ALA   AAA CB  1 ? 
ATOM   359  N  N   . GLY   A 1 48  ? -9.791  29.734 -18.886 1.000 16.481 0 60  GLY   AAA N   1 ? 
ATOM   360  C  CA  . GLY   A 1 48  ? -10.009 30.968 -19.654 1.000 18.976 0 60  GLY   AAA CA  1 ? 
ATOM   361  C  C   . GLY   A 1 48  ? -8.807  31.310 -20.526 1.000 18.823 0 60  GLY   AAA C   1 ? 
ATOM   362  O  O   . GLY   A 1 48  ? -7.909  30.473 -20.667 1.000 19.194 0 60  GLY   AAA O   1 ? 
ATOM   363  N  N   . ARG   A 1 49  ? -8.803  32.512 -21.085 1.000 19.050 0 61  ARG   AAA N   1 ? 
ATOM   364  C  CA  . ARG   A 1 49  ? -7.644  32.970 -21.890 1.000 20.760 0 61  ARG   AAA CA  1 ? 
ATOM   365  C  C   . ARG   A 1 49  ? -6.445  33.155 -20.950 1.000 20.708 0 61  ARG   AAA C   1 ? 
ATOM   366  O  O   . ARG   A 1 49  ? -5.339  32.824 -21.352 1.000 19.110 0 61  ARG   AAA O   1 ? 
ATOM   367  C  CB  . ARG   A 1 49  ? -8.004  34.273 -22.608 1.000 22.142 0 61  ARG   AAA CB  1 ? 
ATOM   368  C  CG  . ARG   A 1 49  ? -6.895  34.829 -23.485 1.000 24.553 0 61  ARG   AAA CG  1 ? 
ATOM   369  C  CD  . ARG   A 1 49  ? -6.452  33.823 -24.526 1.000 25.543 0 61  ARG   AAA CD  1 ? 
ATOM   370  N  NE  . ARG   A 1 49  ? -5.348  34.323 -25.326 1.000 25.224 0 61  ARG   AAA NE  1 ? 
ATOM   371  C  CZ  . ARG   A 1 49  ? -4.111  34.492 -24.878 1.000 26.122 0 61  ARG   AAA CZ  1 ? 
ATOM   372  N  NH1 . ARG   A 1 49  ? -3.767  34.028 -23.691 1.000 25.685 0 61  ARG   AAA NH1 1 ? 
ATOM   373  N  NH2 . ARG   A 1 49  ? -3.222  35.124 -25.622 1.000 26.945 0 61  ARG   AAA NH2 1 ? 
ATOM   374  N  N   . SER   A 1 50  ? -6.706  33.656 -19.740 1.000 20.984 0 63  SER   AAA N   1 ? 
ATOM   375  C  CA  . SER   A 1 50  ? -5.642  33.895 -18.732 1.000 21.400 0 63  SER   AAA CA  1 ? 
ATOM   376  C  C   . SER   A 1 50  ? -6.233  33.845 -17.313 1.000 21.650 0 63  SER   AAA C   1 ? 
ATOM   377  O  O   . SER   A 1 50  ? -7.418  34.166 -17.162 1.000 22.290 0 63  SER   AAA O   1 ? 
ATOM   378  C  CB  . SER   A 1 50  ? -4.917  35.195 -19.000 1.000 22.139 0 63  SER   AAA CB  1 ? 
ATOM   379  O  OG  . SER   A 1 50  ? -5.797  36.298 -18.923 1.000 24.074 0 63  SER   AAA OG  1 ? 
ATOM   380  N  N   . ILE   A 1 51  ? -5.423  33.452 -16.326 1.000 19.258 0 64  ILE   AAA N   1 ? 
ATOM   381  C  CA  . ILE   A 1 51  ? -5.869  33.330 -14.956 1.000 18.623 0 64  ILE   AAA CA  1 ? 
ATOM   382  C  C   . ILE   A 1 51  ? -4.830  33.975 -14.046 1.000 18.768 0 64  ILE   AAA C   1 ? 
ATOM   383  O  O   . ILE   A 1 51  ? -3.642  33.865 -14.304 1.000 20.766 0 64  ILE   AAA O   1 ? 
ATOM   384  C  CB  . ILE   A 1 51  ? -6.192  31.864 -14.579 1.000 18.500 0 64  ILE   AAA CB  1 ? 
ATOM   385  C  CG1 . ILE   A 1 51  ? -7.283  31.262 -15.468 1.000 18.015 0 64  ILE   AAA CG1 1 ? 
ATOM   386  C  CG2 . ILE   A 1 51  ? -6.569  31.746 -13.108 1.000 18.168 0 64  ILE   AAA CG2 1 ? 
ATOM   387  C  CD1 . ILE   A 1 51  ? -7.562  29.777 -15.198 1.000 17.805 0 64  ILE   AAA CD1 1 ? 
ATOM   388  N  N   . THR   A 1 52  ? -5.318  34.693 -13.024 1.000 17.426 0 65  THR   AAA N   1 ? 
ATOM   389  C  CA  . THR   A 1 52  ? -4.525  35.126 -11.898 1.000 17.665 0 65  THR   AAA CA  1 ? 
ATOM   390  C  C   . THR   A 1 52  ? -5.015  34.430 -10.629 1.000 18.163 0 65  THR   AAA C   1 ? 
ATOM   391  O  O   . THR   A 1 52  ? -6.222  34.333 -10.374 1.000 16.734 0 65  THR   AAA O   1 ? 
ATOM   392  C  CB  . THR   A 1 52  ? -4.580  36.642 -11.703 1.000 19.694 0 65  THR   AAA CB  1 ? 
ATOM   393  O  OG1 . THR   A 1 52  ? -4.364  37.247 -12.974 1.000 18.913 0 65  THR   AAA OG1 1 ? 
ATOM   394  C  CG2 . THR   A 1 52  ? -3.525  37.134 -10.737 1.000 22.026 0 65  THR   AAA CG2 1 ? 
ATOM   395  N  N   . VAL   A 1 53  ? -4.045  33.943 -9.856  1.000 17.189 0 66  VAL   AAA N   1 ? 
ATOM   396  C  CA  . VAL   A 1 53  ? -4.301  33.308 -8.578  1.000 17.352 0 66  VAL   AAA CA  1 ? 
ATOM   397  C  C   . VAL   A 1 53  ? -3.919  34.263 -7.458  1.000 17.671 0 66  VAL   AAA C   1 ? 
ATOM   398  O  O   . VAL   A 1 53  ? -2.846  34.871 -7.514  1.000 18.136 0 66  VAL   AAA O   1 ? 
ATOM   399  C  CB  . VAL   A 1 53  ? -3.537  31.982 -8.484  1.000 17.797 0 66  VAL   AAA CB  1 ? 
ATOM   400  C  CG1 . VAL   A 1 53  ? -3.604  31.406 -7.090  1.000 19.187 0 66  VAL   AAA CG1 1 ? 
ATOM   401  C  CG2 . VAL   A 1 53  ? -4.095  31.003 -9.506  1.000 19.023 0 66  VAL   AAA CG2 1 ? 
ATOM   402  N  N   . THR   A 1 54  ? -4.812  34.388 -6.461  1.000 16.486 0 67  THR   AAA N   1 ? 
ATOM   403  C  CA  . THR   A 1 54  ? -4.512  35.132 -5.243  1.000 17.923 0 67  THR   AAA CA  1 ? 
ATOM   404  C  C   . THR   A 1 54  ? -4.480  34.148 -4.077  1.000 16.589 0 67  THR   AAA C   1 ? 
ATOM   405  O  O   . THR   A 1 54  ? -5.484  33.498 -3.779  1.000 16.020 0 67  THR   AAA O   1 ? 
ATOM   406  C  CB  . THR   A 1 54  ? -5.519  36.259 -4.971  1.000 18.971 0 67  THR   AAA CB  1 ? 
ATOM   407  O  OG1 . THR   A 1 54  ? -5.486  37.222 -6.021  1.000 18.263 0 67  THR   AAA OG1 1 ? 
ATOM   408  C  CG2 . THR   A 1 54  ? -5.252  36.994 -3.682  1.000 21.292 0 67  THR   AAA CG2 1 ? 
ATOM   409  N  N   . LEU   A 1 55  ? -3.289  33.963 -3.513  1.000 15.844 0 68  LEU   AAA N   1 ? 
ATOM   410  C  CA  . LEU   A 1 55  ? -3.126  33.165 -2.312  1.000 15.833 0 68  LEU   AAA CA  1 ? 
ATOM   411  C  C   . LEU   A 1 55  ? -3.105  34.089 -1.098  1.000 16.944 0 68  LEU   AAA C   1 ? 
ATOM   412  O  O   . LEU   A 1 55  ? -2.713  35.254 -1.223  1.000 18.118 0 68  LEU   AAA O   1 ? 
ATOM   413  C  CB  . LEU   A 1 55  ? -1.810  32.398 -2.393  1.000 16.365 0 68  LEU   AAA CB  1 ? 
ATOM   414  C  CG  . LEU   A 1 55  ? -1.639  31.454 -3.580  1.000 16.789 0 68  LEU   AAA CG  1 ? 
ATOM   415  C  CD1 . LEU   A 1 55  ? -0.317  30.704 -3.527  1.000 16.447 0 68  LEU   AAA CD1 1 ? 
ATOM   416  C  CD2 . LEU   A 1 55  ? -2.776  30.454 -3.617  1.000 17.463 0 68  LEU   AAA CD2 1 ? 
ATOM   417  N  N   . GLY   A 1 56  ? -3.475  33.525 0.065   1.000 17.497 0 69  GLY   AAA N   1 ? 
ATOM   418  C  CA  . GLY   A 1 56  ? -3.378  34.207 1.346   1.000 19.031 0 69  GLY   AAA CA  1 ? 
ATOM   419  C  C   . GLY   A 1 56  ? -4.544  35.157 1.621   1.000 18.755 0 69  GLY   AAA C   1 ? 
ATOM   420  O  O   . GLY   A 1 56  ? -4.454  35.985 2.529   1.000 19.418 0 69  GLY   AAA O   1 ? 
ATOM   421  N  N   . ALA   A 1 57  ? -5.636  35.026 0.850   1.000 19.350 0 70  ALA   AAA N   1 ? 
ATOM   422  C  CA  . ALA   A 1 57  ? -6.765  35.931 0.998   1.000 20.368 0 70  ALA   AAA CA  1 ? 
ATOM   423  C  C   . ALA   A 1 57  ? -7.727  35.457 2.082   1.000 20.413 0 70  ALA   AAA C   1 ? 
ATOM   424  O  O   . ALA   A 1 57  ? -7.880  34.258 2.327   1.000 18.700 0 70  ALA   AAA O   1 ? 
ATOM   425  C  CB  . ALA   A 1 57  ? -7.518  36.094 -0.291  1.000 22.811 0 70  ALA   AAA CB  1 ? 
ATOM   426  N  N   . HIS   A 1 58  ? -8.361  36.446 2.734   1.000 18.729 0 71  HIS   AAA N   1 ? 
ATOM   427  C  CA  . HIS   A 1 58  ? -9.586  36.212 3.482   1.000 21.287 0 71  HIS   AAA CA  1 ? 
ATOM   428  C  C   . HIS   A 1 58  ? -10.670 37.133 2.929   1.000 20.647 0 71  HIS   AAA C   1 ? 
ATOM   429  O  O   . HIS   A 1 58  ? -11.586 36.676 2.263   1.000 19.860 0 71  HIS   AAA O   1 ? 
ATOM   430  C  CB  . HIS   A 1 58  ? -9.419  36.391 4.994   1.000 22.826 0 71  HIS   AAA CB  1 ? 
ATOM   431  C  CG  . HIS   A 1 58  ? -10.676 36.127 5.745   1.000 24.632 0 71  HIS   AAA CG  1 ? 
ATOM   432  N  ND1 . HIS   A 1 58  ? -11.210 34.853 5.796   1.000 24.477 0 71  HIS   AAA ND1 1 ? 
ATOM   433  C  CD2 . HIS   A 1 58  ? -11.502 36.922 6.466   1.000 28.638 0 71  HIS   AAA CD2 1 ? 
ATOM   434  C  CE1 . HIS   A 1 58  ? -12.319 34.877 6.531   1.000 26.516 0 71  HIS   AAA CE1 1 ? 
ATOM   435  N  NE2 . HIS   A 1 58  ? -12.514 36.120 6.966   1.000 26.837 0 71  HIS   AAA NE2 1 ? 
ATOM   436  N  N   . ASN   A 1 59  ? -10.574 38.422 3.230   1.000 21.355 0 72  ASN   AAA N   1 ? 
ATOM   437  C  CA  . ASN   A 1 59  ? -11.440 39.422 2.627   1.000 22.669 0 72  ASN   AAA CA  1 ? 
ATOM   438  C  C   . ASN   A 1 59  ? -10.827 39.833 1.295   1.000 24.540 0 72  ASN   AAA C   1 ? 
ATOM   439  O  O   . ASN   A 1 59  ? -9.854  40.598 1.229   1.000 23.232 0 72  ASN   AAA O   1 ? 
ATOM   440  C  CB  . ASN   A 1 59  ? -11.656 40.609 3.557   1.000 25.969 0 72  ASN   AAA CB  1 ? 
ATOM   441  C  CG  . ASN   A 1 59  ? -12.632 41.638 3.014   1.000 28.580 0 72  ASN   AAA CG  1 ? 
ATOM   442  O  OD1 . ASN   A 1 59  ? -12.867 41.715 1.808   1.000 25.137 0 72  ASN   AAA OD1 1 ? 
ATOM   443  N  ND2 . ASN   A 1 59  ? -13.165 42.449 3.912   1.000 31.962 0 72  ASN   AAA ND2 1 ? 
ATOM   444  N  N   . ILE   A 1 60  ? -11.421 39.310 0.221   1.000 23.924 0 73  ILE   AAA N   1 ? 
ATOM   445  C  CA  . ILE   A 1 60  ? -10.801 39.396 -1.084  1.000 23.861 0 73  ILE   AAA CA  1 ? 
ATOM   446  C  C   . ILE   A 1 60  ? -10.862 40.834 -1.628  1.000 24.916 0 73  ILE   AAA C   1 ? 
ATOM   447  O  O   . ILE   A 1 60  ? -10.220 41.148 -2.630  1.000 24.056 0 73  ILE   AAA O   1 ? 
ATOM   448  C  CB  . ILE   A 1 60  ? -11.417 38.320 -1.997  1.000 25.290 0 73  ILE   AAA CB  1 ? 
ATOM   449  C  CG1 . ILE   A 1 60  ? -10.554 38.043 -3.230  1.000 27.080 0 73  ILE   AAA CG1 1 ? 
ATOM   450  C  CG2 . ILE   A 1 60  ? -12.856 38.660 -2.394  1.000 25.827 0 73  ILE   AAA CG2 1 ? 
ATOM   451  C  CD1 . ILE   A 1 60  ? -9.133  37.639 -2.952  1.000 28.796 0 73  ILE   AAA CD1 1 ? 
ATOM   452  N  N   . THR   A 1 61  ? -11.534 41.762 -0.923  1.000 25.669 0 74  THR   AAA N   1 ? 
ATOM   453  C  CA  . THR   A 1 61  ? -11.611 43.150 -1.377  1.000 27.588 0 74  THR   AAA CA  1 ? 
ATOM   454  C  C   . THR   A 1 61  ? -10.585 44.042 -0.686  1.000 30.885 0 74  THR   AAA C   1 ? 
ATOM   455  O  O   . THR   A 1 61  ? -10.524 45.216 -1.010  1.000 34.570 0 74  THR   AAA O   1 ? 
ATOM   456  C  CB  . THR   A 1 61  ? -12.999 43.769 -1.131  1.000 28.077 0 74  THR   AAA CB  1 ? 
ATOM   457  O  OG1 . THR   A 1 61  ? -13.252 43.941 0.276   1.000 29.861 0 74  THR   AAA OG1 1 ? 
ATOM   458  C  CG2 . THR   A 1 61  ? -14.102 42.927 -1.744  1.000 28.567 0 74  THR   AAA CG2 1 ? 
ATOM   459  N  N   . GLU   A 1 62  ? -9.792  43.490 0.244   1.000 33.104 0 75  GLU   AAA N   1 ? 
ATOM   460  C  CA  . GLU   A 1 62  ? -8.915  44.266 1.120   1.000 34.038 0 75  GLU   AAA CA  1 ? 
ATOM   461  C  C   . GLU   A 1 62  ? -7.512  43.657 1.007   1.000 28.948 0 75  GLU   AAA C   1 ? 
ATOM   462  O  O   . GLU   A 1 62  ? -7.242  42.643 1.637   1.000 28.624 0 75  GLU   AAA O   1 ? 
ATOM   463  C  CB  . GLU   A 1 62  ? -9.556  44.215 2.521   1.000 39.134 0 75  GLU   AAA CB  1 ? 
ATOM   464  C  CG  . GLU   A 1 62  ? -9.056  45.196 3.586   1.000 45.616 0 75  GLU   AAA CG  1 ? 
ATOM   465  C  CD  . GLU   A 1 62  ? -9.671  45.015 4.986   1.000 53.606 0 75  GLU   AAA CD  1 ? 
ATOM   466  O  OE1 . GLU   A 1 62  ? -9.424  45.862 5.884   1.000 51.788 0 75  GLU   AAA OE1 1 ? 
ATOM   467  O  OE2 . GLU   A 1 62  ? -10.429 44.038 5.195   1.000 64.047 0 75  GLU   AAA OE2 1 ? 
ATOM   468  N  N   . GLU   A 1 63  ? -6.650  44.241 0.156   1.000 28.775 0 77  GLU   AAA N   1 ? 
ATOM   469  C  CA  . GLU   A 1 63  ? -5.282  43.772 -0.050  1.000 30.638 0 77  GLU   AAA CA  1 ? 
ATOM   470  C  C   . GLU   A 1 63  ? -4.473  43.863 1.249   1.000 27.788 0 77  GLU   AAA C   1 ? 
ATOM   471  O  O   . GLU   A 1 63  ? -4.574  44.829 1.986   1.000 28.053 0 77  GLU   AAA O   1 ? 
ATOM   472  C  CB  . GLU   A 1 63  ? -4.580  44.556 -1.164  1.000 32.772 0 77  GLU   AAA CB  1 ? 
ATOM   473  C  CG  . GLU   A 1 63  ? -3.112  44.195 -1.329  1.000 36.994 0 77  GLU   AAA CG  1 ? 
ATOM   474  C  CD  . GLU   A 1 63  ? -2.383  44.848 -2.495  1.000 42.389 0 77  GLU   AAA CD  1 ? 
ATOM   475  O  OE1 . GLU   A 1 63  ? -2.567  46.058 -2.683  1.000 47.032 0 77  GLU   AAA OE1 1 ? 
ATOM   476  O  OE2 . GLU   A 1 63  ? -1.604  44.153 -3.191  1.000 42.176 0 77  GLU   AAA OE2 1 ? 
ATOM   477  N  N   . GLU   A 1 64  ? -3.662  42.836 1.512   1.000 26.195 0 78  GLU   AAA N   1 ? 
ATOM   478  C  CA  . GLU   A 1 64  ? -2.901  42.738 2.743   1.000 23.390 0 78  GLU   AAA CA  1 ? 
ATOM   479  C  C   . GLU   A 1 64  ? -1.588  41.998 2.492   1.000 20.329 0 78  GLU   AAA C   1 ? 
ATOM   480  O  O   . GLU   A 1 64  ? -1.371  41.411 1.432   1.000 21.355 0 78  GLU   AAA O   1 ? 
ATOM   481  C  CB  . GLU   A 1 64  ? -3.752  42.091 3.838   1.000 23.677 0 78  GLU   AAA CB  1 ? 
ATOM   482  C  CG  . GLU   A 1 64  ? -4.373  40.764 3.461   1.000 22.753 0 78  GLU   AAA CG  1 ? 
ATOM   483  C  CD  . GLU   A 1 64  ? -5.010  40.008 4.611   1.000 25.356 0 78  GLU   AAA CD  1 ? 
ATOM   484  O  OE1 . GLU   A 1 64  ? -6.034  39.332 4.382   1.000 23.224 0 78  GLU   AAA OE1 1 ? 
ATOM   485  O  OE2 . GLU   A 1 64  ? -4.486  40.111 5.748   1.000 25.911 0 78  GLU   AAA OE2 1 ? 
ATOM   486  N  N   . ASP   A 1 65  ? -0.708  42.041 3.494   1.000 18.436 0 79  ASP   AAA N   1 ? 
ATOM   487  C  CA  . ASP   A 1 65  ? 0.624   41.464 3.368   1.000 19.065 0 79  ASP   AAA CA  1 ? 
ATOM   488  C  C   . ASP   A 1 65  ? 0.576   39.956 3.107   1.000 17.944 0 79  ASP   AAA C   1 ? 
ATOM   489  O  O   . ASP   A 1 65  ? 1.420   39.436 2.395   1.000 17.913 0 79  ASP   AAA O   1 ? 
ATOM   490  C  CB  . ASP   A 1 65  ? 1.466   41.812 4.589   1.000 19.973 0 79  ASP   AAA CB  1 ? 
ATOM   491  C  CG  . ASP   A 1 65  ? 2.058   43.208 4.572   1.000 20.821 0 79  ASP   AAA CG  1 ? 
ATOM   492  O  OD1 . ASP   A 1 65  ? 1.828   43.937 3.584   1.000 22.553 0 79  ASP   AAA OD1 1 ? 
ATOM   493  O  OD2 . ASP   A 1 65  ? 2.777   43.544 5.533   1.000 22.247 0 79  ASP   AAA OD2 1 ? 
ATOM   494  N  N   . THR   A 1 66  A -0.442  39.251 3.603   1.000 18.929 0 79  THR   AAA N   1 ? 
ATOM   495  C  CA  . THR   A 1 66  A -0.580  37.827 3.297   1.000 19.173 0 79  THR   AAA CA  1 ? 
ATOM   496  C  C   . THR   A 1 66  A -0.824  37.521 1.813   1.000 20.397 0 79  THR   AAA C   1 ? 
ATOM   497  O  O   . THR   A 1 66  A -0.524  36.400 1.364   1.000 20.521 0 79  THR   AAA O   1 ? 
ATOM   498  C  CB  . THR   A 1 66  A -1.740  37.186 4.067   1.000 18.863 0 79  THR   AAA CB  1 ? 
ATOM   499  O  OG1 . THR   A 1 66  A -2.930  37.906 3.780   1.000 18.415 0 79  THR   AAA OG1 1 ? 
ATOM   500  C  CG2 . THR   A 1 66  A -1.499  37.164 5.548   1.000 19.263 0 79  THR   AAA CG2 1 ? 
ATOM   501  N  N   . TRP   A 1 67  ? -1.373  38.479 1.046   1.000 19.471 0 80  TRP   AAA N   1 ? 
ATOM   502  C  CA  . TRP   A 1 67  ? -1.660  38.245 -0.366  1.000 20.329 0 80  TRP   AAA CA  1 ? 
ATOM   503  C  C   . TRP   A 1 67  ? -0.394  37.908 -1.159  1.000 20.273 0 80  TRP   AAA C   1 ? 
ATOM   504  O  O   . TRP   A 1 67  ? 0.658   38.525 -0.994  1.000 18.444 0 80  TRP   AAA O   1 ? 
ATOM   505  C  CB  . TRP   A 1 67  ? -2.339  39.436 -1.036  1.000 20.350 0 80  TRP   AAA CB  1 ? 
ATOM   506  C  CG  . TRP   A 1 67  ? -3.783  39.587 -0.701  1.000 23.150 0 80  TRP   AAA CG  1 ? 
ATOM   507  C  CD1 . TRP   A 1 67  ? -4.475  39.050 0.349   1.000 23.382 0 80  TRP   AAA CD1 1 ? 
ATOM   508  C  CD2 . TRP   A 1 67  ? -4.724  40.368 -1.446  1.000 25.166 0 80  TRP   AAA CD2 1 ? 
ATOM   509  N  NE1 . TRP   A 1 67  ? -5.785  39.446 0.304   1.000 25.129 0 80  TRP   AAA NE1 1 ? 
ATOM   510  C  CE2 . TRP   A 1 67  ? -5.967  40.245 -0.793  1.000 24.835 0 80  TRP   AAA CE2 1 ? 
ATOM   511  C  CE3 . TRP   A 1 67  ? -4.626  41.152 -2.600  1.000 27.635 0 80  TRP   AAA CE3 1 ? 
ATOM   512  C  CZ2 . TRP   A 1 67  ? -7.099  40.911 -1.241  1.000 26.337 0 80  TRP   AAA CZ2 1 ? 
ATOM   513  C  CZ3 . TRP   A 1 67  ? -5.754  41.789 -3.056  1.000 26.843 0 80  TRP   AAA CZ3 1 ? 
ATOM   514  C  CH2 . TRP   A 1 67  ? -6.968  41.666 -2.381  1.000 27.116 0 80  TRP   AAA CH2 1 ? 
ATOM   515  N  N   . GLN   A 1 68  ? -0.543  36.920 -2.040  1.000 18.202 0 81  GLN   AAA N   1 ? 
ATOM   516  C  CA  . GLN   A 1 68  ? 0.429   36.633 -3.074  1.000 17.852 0 81  GLN   AAA CA  1 ? 
ATOM   517  C  C   . GLN   A 1 68  ? -0.372  36.475 -4.350  1.000 18.457 0 81  GLN   AAA C   1 ? 
ATOM   518  O  O   . GLN   A 1 68  ? -1.115  35.508 -4.460  1.000 17.510 0 81  GLN   AAA O   1 ? 
ATOM   519  C  CB  . GLN   A 1 68  ? 1.185   35.349 -2.778  1.000 18.971 0 81  GLN   AAA CB  1 ? 
ATOM   520  C  CG  . GLN   A 1 68  ? 2.137   35.429 -1.600  1.000 18.023 0 81  GLN   AAA CG  1 ? 
ATOM   521  C  CD  . GLN   A 1 68  ? 2.799   34.088 -1.420  1.000 19.479 0 81  GLN   AAA CD  1 ? 
ATOM   522  O  OE1 . GLN   A 1 68  ? 3.470   33.581 -2.323  1.000 20.910 0 81  GLN   AAA OE1 1 ? 
ATOM   523  N  NE2 . GLN   A 1 68  ? 2.653   33.510 -0.237  1.000 21.803 0 81  GLN   AAA NE2 1 ? 
ATOM   524  N  N   . LYS   A 1 69  ? -0.354  37.503 -5.195  1.000 19.105 0 82  LYS   AAA N   1 ? 
ATOM   525  C  CA  . LYS   A 1 69  ? -1.028  37.451 -6.478  1.000 22.919 0 82  LYS   AAA CA  1 ? 
ATOM   526  C  C   . LYS   A 1 69  ? -0.037  36.868 -7.469  1.000 22.105 0 82  LYS   AAA C   1 ? 
ATOM   527  O  O   . LYS   A 1 69  ? 1.017   37.450 -7.627  1.000 21.982 0 82  LYS   AAA O   1 ? 
ATOM   528  C  CB  . LYS   A 1 69  ? -1.428  38.846 -6.944  1.000 25.516 0 82  LYS   AAA CB  1 ? 
ATOM   529  C  CG  . LYS   A 1 69  ? -2.447  39.526 -6.058  1.000 31.562 0 82  LYS   AAA CG  1 ? 
ATOM   530  C  CD  . LYS   A 1 69  ? -2.899  40.874 -6.588  1.000 37.949 0 82  LYS   AAA CD  1 ? 
ATOM   531  C  CE  . LYS   A 1 69  ? -4.126  40.758 -7.472  1.000 47.477 0 82  LYS   AAA CE  1 ? 
ATOM   532  N  NZ  . LYS   A 1 69  ? -4.690  42.089 -7.812  1.000 55.149 0 82  LYS   AAA NZ  1 ? 
ATOM   533  N  N   . LEU   A 1 70  ? -0.363  35.721 -8.062  1.000 19.165 0 83  LEU   AAA N   1 ? 
ATOM   534  C  CA  . LEU   A 1 70  ? 0.582   34.949 -8.841  1.000 20.716 0 83  LEU   AAA CA  1 ? 
ATOM   535  C  C   . LEU   A 1 70  ? 0.037   34.754 -10.253 1.000 22.711 0 83  LEU   AAA C   1 ? 
ATOM   536  O  O   . LEU   A 1 70  ? -1.134  34.422 -10.444 1.000 21.250 0 83  LEU   AAA O   1 ? 
ATOM   537  C  CB  . LEU   A 1 70  ? 0.855   33.620 -8.123  1.000 21.884 0 83  LEU   AAA CB  1 ? 
ATOM   538  C  CG  . LEU   A 1 70  ? 1.671   33.777 -6.829  1.000 25.458 0 83  LEU   AAA CG  1 ? 
ATOM   539  C  CD1 . LEU   A 1 70  ? 1.747   32.510 -6.008  1.000 25.932 0 83  LEU   AAA CD1 1 ? 
ATOM   540  C  CD2 . LEU   A 1 70  ? 3.070   34.256 -7.135  1.000 29.427 0 83  LEU   AAA CD2 1 ? 
ATOM   541  N  N   . GLU   A 1 71  ? 0.929   34.960 -11.230 1.000 20.466 0 84  GLU   AAA N   1 ? 
ATOM   542  C  CA  . GLU   A 1 71  ? 0.648   34.670 -12.625 1.000 21.513 0 84  GLU   AAA CA  1 ? 
ATOM   543  C  C   . GLU   A 1 71  ? 0.591   33.162 -12.852 1.000 19.792 0 84  GLU   AAA C   1 ? 
ATOM   544  O  O   . GLU   A 1 71  ? 1.448   32.423 -12.362 1.000 19.376 0 84  GLU   AAA O   1 ? 
ATOM   545  C  CB  . GLU   A 1 71  ? 1.758   35.297 -13.471 1.000 23.166 0 84  GLU   AAA CB  1 ? 
ATOM   546  C  CG  . GLU   A 1 71  ? 1.691   34.956 -14.944 1.000 24.103 0 84  GLU   AAA CG  1 ? 
ATOM   547  C  CD  . GLU   A 1 71  ? 2.942   35.439 -15.651 1.000 26.793 0 84  GLU   AAA CD  1 ? 
ATOM   548  O  OE1 . GLU   A 1 71  ? 3.654   36.266 -15.064 1.000 29.817 0 84  GLU   AAA OE1 1 ? 
ATOM   549  O  OE2 . GLU   A 1 71  ? 3.234   34.934 -16.744 1.000 24.395 0 84  GLU   AAA OE2 1 ? 
ATOM   550  N  N   . VAL   A 1 72  ? -0.396  32.737 -13.654 1.000 18.373 0 85  VAL   AAA N   1 ? 
ATOM   551  C  CA  . VAL   A 1 72  ? -0.468  31.391 -14.184 1.000 18.255 0 85  VAL   AAA CA  1 ? 
ATOM   552  C  C   . VAL   A 1 72  ? 0.162   31.377 -15.582 1.000 18.844 0 85  VAL   AAA C   1 ? 
ATOM   553  O  O   . VAL   A 1 72  ? -0.325  32.059 -16.475 1.000 18.952 0 85  VAL   AAA O   1 ? 
ATOM   554  C  CB  . VAL   A 1 72  ? -1.933  30.922 -14.251 1.000 18.581 0 85  VAL   AAA CB  1 ? 
ATOM   555  C  CG1 . VAL   A 1 72  ? -2.038  29.572 -14.974 1.000 18.202 0 85  VAL   AAA CG1 1 ? 
ATOM   556  C  CG2 . VAL   A 1 72  ? -2.593  30.878 -12.872 1.000 15.718 0 85  VAL   AAA CG2 1 ? 
ATOM   557  N  N   . ILE   A 1 73  ? 1.198   30.552 -15.788 1.000 18.397 0 86  ILE   AAA N   1 ? 
ATOM   558  C  CA  . ILE   A 1 73  ? 1.885   30.468 -17.074 1.000 21.403 0 86  ILE   AAA CA  1 ? 
ATOM   559  C  C   . ILE   A 1 73  ? 1.157   29.545 -18.034 1.000 21.095 0 86  ILE   AAA C   1 ? 
ATOM   560  O  O   . ILE   A 1 73  ? 1.153   29.803 -19.228 1.000 19.202 0 86  ILE   AAA O   1 ? 
ATOM   561  C  CB  . ILE   A 1 73  ? 3.352   30.020 -16.953 1.000 23.845 0 86  ILE   AAA CB  1 ? 
ATOM   562  C  CG1 . ILE   A 1 73  ? 3.511   28.726 -16.163 1.000 25.035 0 86  ILE   AAA CG1 1 ? 
ATOM   563  C  CG2 . ILE   A 1 73  ? 4.182   31.142 -16.366 1.000 26.261 0 86  ILE   AAA CG2 1 ? 
ATOM   564  C  CD1 . ILE   A 1 73  ? 4.849   28.118 -16.332 1.000 26.687 0 86  ILE   AAA CD1 1 ? 
ATOM   565  N  N   . LYS   A 1 74  ? 0.571   28.466 -17.517 1.000 22.821 0 87  LYS   AAA N   1 ? 
ATOM   566  C  CA  . LYS   A 1 74  ? -0.069  27.478 -18.368 1.000 24.416 0 87  LYS   AAA CA  1 ? 
ATOM   567  C  C   . LYS   A 1 74  ? -1.242  26.822 -17.622 1.000 21.024 0 87  LYS   AAA C   1 ? 
ATOM   568  O  O   . LYS   A 1 74  ? -1.170  26.543 -16.424 1.000 18.592 0 87  LYS   AAA O   1 ? 
ATOM   569  C  CB  . LYS   A 1 74  ? 0.985   26.443 -18.774 1.000 29.564 0 87  LYS   AAA CB  1 ? 
ATOM   570  C  CG  . LYS   A 1 74  ? 0.545   25.486 -19.866 1.000 38.018 0 87  LYS   AAA CG  1 ? 
ATOM   571  C  CD  . LYS   A 1 74  ? 1.699   24.811 -20.598 1.000 41.523 0 87  LYS   AAA CD  1 ? 
ATOM   572  C  CE  . LYS   A 1 74  ? 1.230   23.678 -21.484 1.000 45.382 0 87  LYS   AAA CE  1 ? 
ATOM   573  N  NZ  . LYS   A 1 74  ? 2.364   22.871 -21.996 1.000 48.890 0 87  LYS   AAA NZ  1 ? 
ATOM   574  N  N   . GLN   A 1 75  ? -2.291  26.508 -18.376 1.000 18.800 0 88  GLN   AAA N   1 ? 
ATOM   575  C  CA  . GLN   A 1 75  ? -3.471  25.810 -17.881 1.000 18.710 0 88  GLN   AAA CA  1 ? 
ATOM   576  C  C   . GLN   A 1 75  ? -3.445  24.391 -18.419 1.000 20.447 0 88  GLN   AAA C   1 ? 
ATOM   577  O  O   . GLN   A 1 75  ? -3.291  24.230 -19.627 1.000 21.568 0 88  GLN   AAA O   1 ? 
ATOM   578  C  CB  . GLN   A 1 75  ? -4.736  26.498 -18.385 1.000 18.800 0 88  GLN   AAA CB  1 ? 
ATOM   579  C  CG  . GLN   A 1 75  ? -4.879  27.921 -17.861 1.000 18.500 0 88  GLN   AAA CG  1 ? 
ATOM   580  C  CD  . GLN   A 1 75  ? -5.993  28.685 -18.532 1.000 19.547 0 88  GLN   AAA CD  1 ? 
ATOM   581  O  OE1 . GLN   A 1 75  ? -7.175  28.322 -18.441 1.000 19.418 0 88  GLN   AAA OE1 1 ? 
ATOM   582  N  NE2 . GLN   A 1 75  ? -5.622  29.765 -19.196 1.000 21.021 0 88  GLN   AAA NE2 1 ? 
ATOM   583  N  N   . PHE   A 1 76  ? -3.622  23.401 -17.530 1.000 19.684 0 89  PHE   AAA N   1 ? 
ATOM   584  C  CA  . PHE   A 1 76  ? -3.689  22.006 -17.915 1.000 21.718 0 89  PHE   AAA CA  1 ? 
ATOM   585  C  C   . PHE   A 1 76  ? -5.072  21.456 -17.611 1.000 21.245 0 89  PHE   AAA C   1 ? 
ATOM   586  O  O   . PHE   A 1 76  ? -5.317  20.884 -16.551 1.000 19.323 0 89  PHE   AAA O   1 ? 
ATOM   587  C  CB  . PHE   A 1 76  ? -2.670  21.147 -17.168 1.000 20.842 0 89  PHE   AAA CB  1 ? 
ATOM   588  C  CG  . PHE   A 1 76  ? -1.255  21.514 -17.458 1.000 21.950 0 89  PHE   AAA CG  1 ? 
ATOM   589  C  CD1 . PHE   A 1 76  ? -0.624  22.474 -16.710 1.000 22.679 0 89  PHE   AAA CD1 1 ? 
ATOM   590  C  CD2 . PHE   A 1 76  ? -0.585  20.936 -18.529 1.000 26.745 0 89  PHE   AAA CD2 1 ? 
ATOM   591  C  CE1 . PHE   A 1 76  ? 0.678   22.842 -16.991 1.000 25.453 0 89  PHE   AAA CE1 1 ? 
ATOM   592  C  CE2 . PHE   A 1 76  ? 0.717   21.303 -18.815 1.000 29.332 0 89  PHE   AAA CE2 1 ? 
ATOM   593  C  CZ  . PHE   A 1 76  ? 1.337   22.273 -18.057 1.000 28.898 0 89  PHE   AAA CZ  1 ? 
ATOM   594  N  N   . ARG   A 1 77  ? -5.963  21.667 -18.563 1.000 23.050 0 90  ARG   AAA N   1 ? 
ATOM   595  C  CA  . ARG   A 1 77  ? -7.315  21.168 -18.468 1.000 25.295 0 90  ARG   AAA CA  1 ? 
ATOM   596  C  C   . ARG   A 1 77  ? -7.291  19.698 -18.858 1.000 24.550 0 90  ARG   AAA C   1 ? 
ATOM   597  O  O   . ARG   A 1 77  ? -6.570  19.275 -19.764 1.000 23.848 0 90  ARG   AAA O   1 ? 
ATOM   598  C  CB  . ARG   A 1 77  ? -8.201  22.036 -19.357 1.000 29.343 0 90  ARG   AAA CB  1 ? 
ATOM   599  C  CG  . ARG   A 1 77  ? -9.684  21.940 -19.025 1.000 34.486 0 90  ARG   AAA CG  1 ? 
ATOM   600  C  CD  . ARG   A 1 77  ? -10.496 22.936 -19.827 1.000 35.989 0 90  ARG   AAA CD  1 ? 
ATOM   601  N  NE  . ARG   A 1 77  ? -10.128 22.805 -21.215 1.000 39.315 0 90  ARG   AAA NE  1 ? 
ATOM   602  C  CZ  . ARG   A 1 77  ? -10.902 23.129 -22.233 1.000 43.618 0 90  ARG   AAA CZ  1 ? 
ATOM   603  N  NH1 . ARG   A 1 77  ? -12.068 23.697 -22.009 1.000 41.589 0 90  ARG   AAA NH1 1 ? 
ATOM   604  N  NH2 . ARG   A 1 77  ? -10.487 22.905 -23.468 1.000 46.848 0 90  ARG   AAA NH2 1 ? 
ATOM   605  N  N   . HIS   A 1 78  ? -8.070  18.902 -18.138 1.000 24.034 0 91  HIS   AAA N   1 ? 
ATOM   606  C  CA  . HIS   A 1 78  ? -8.148  17.490 -18.413 1.000 23.969 0 91  HIS   AAA CA  1 ? 
ATOM   607  C  C   . HIS   A 1 78  ? -8.472  17.323 -19.895 1.000 25.014 0 91  HIS   AAA C   1 ? 
ATOM   608  O  O   . HIS   A 1 78  ? -9.423  17.919 -20.404 1.000 24.890 0 91  HIS   AAA O   1 ? 
ATOM   609  C  CB  . HIS   A 1 78  ? -9.165  16.805 -17.490 1.000 26.732 0 91  HIS   AAA CB  1 ? 
ATOM   610  C  CG  . HIS   A 1 78  ? -8.975  15.328 -17.520 1.000 28.875 0 91  HIS   AAA CG  1 ? 
ATOM   611  N  ND1 . HIS   A 1 78  ? -9.341  14.544 -18.590 1.000 27.938 0 91  HIS   AAA ND1 1 ? 
ATOM   612  C  CD2 . HIS   A 1 78  ? -8.369  14.518 -16.638 1.000 29.646 0 91  HIS   AAA CD2 1 ? 
ATOM   613  C  CE1 . HIS   A 1 78  ? -9.016  13.286 -18.318 1.000 30.841 0 91  HIS   AAA CE1 1 ? 
ATOM   614  N  NE2 . HIS   A 1 78  ? -8.395  13.251 -17.153 1.000 31.817 0 91  HIS   AAA NE2 1 ? 
ATOM   615  N  N   . PRO   A 1 79  ? -7.695  16.503 -20.626 1.000 24.403 0 92  PRO   AAA N   1 ? 
ATOM   616  C  CA  . PRO   A 1 79  ? -7.897  16.339 -22.062 1.000 28.243 0 92  PRO   AAA CA  1 ? 
ATOM   617  C  C   . PRO   A 1 79  ? -9.220  15.693 -22.461 1.000 27.816 0 92  PRO   AAA C   1 ? 
ATOM   618  O  O   . PRO   A 1 79  ? -9.629  15.874 -23.590 1.000 29.306 0 92  PRO   AAA O   1 ? 
ATOM   619  C  CB  . PRO   A 1 79  ? -6.717  15.459 -22.493 1.000 29.225 0 92  PRO   AAA CB  1 ? 
ATOM   620  C  CG  . PRO   A 1 79  ? -6.369  14.692 -21.261 1.000 29.914 0 92  PRO   AAA CG  1 ? 
ATOM   621  C  CD  . PRO   A 1 79  ? -6.585  15.682 -20.126 1.000 27.838 0 92  PRO   AAA CD  1 ? 
ATOM   622  N  N   . LYS   A 1 80  ? -9.904  14.991 -21.545 1.000 30.312 0 93  LYS   AAA N   1 ? 
ATOM   623  C  CA  . LYS   A 1 80  ? -11.210 14.407 -21.845 1.000 32.383 0 93  LYS   AAA CA  1 ? 
ATOM   624  C  C   . LYS   A 1 80  ? -12.353 15.243 -21.268 1.000 32.414 0 93  LYS   AAA C   1 ? 
ATOM   625  O  O   . LYS   A 1 80  ? -13.524 14.858 -21.309 1.000 26.590 0 93  LYS   AAA O   1 ? 
ATOM   626  C  CB  . LYS   A 1 80  ? -11.254 12.988 -21.285 1.000 37.031 0 93  LYS   AAA CB  1 ? 
ATOM   627  C  CG  . LYS   A 1 80  ? -10.250 12.035 -21.921 1.000 44.287 0 93  LYS   AAA CG  1 ? 
ATOM   628  C  CD  . LYS   A 1 80  ? -10.300 10.619 -21.362 1.000 53.791 0 93  LYS   AAA CD  1 ? 
ATOM   629  C  CE  . LYS   A 1 80  ? -11.631 9.934  -21.615 1.000 62.665 0 93  LYS   AAA CE  1 ? 
ATOM   630  N  NZ  . LYS   A 1 80  ? -11.637 8.527  -21.145 1.000 70.316 0 93  LYS   AAA NZ  1 ? 
ATOM   631  N  N   . TYR   A 1 81  ? -12.026 16.403 -20.693 1.000 29.356 0 94  TYR   AAA N   1 ? 
ATOM   632  C  CA  . TYR   A 1 81  ? -13.065 17.270 -20.172 1.000 25.085 0 94  TYR   AAA CA  1 ? 
ATOM   633  C  C   . TYR   A 1 81  ? -14.165 17.509 -21.206 1.000 24.403 0 94  TYR   AAA C   1 ? 
ATOM   634  O  O   . TYR   A 1 81  ? -13.886 17.879 -22.334 1.000 24.548 0 94  TYR   AAA O   1 ? 
ATOM   635  C  CB  . TYR   A 1 81  ? -12.453 18.615 -19.812 1.000 24.871 0 94  TYR   AAA CB  1 ? 
ATOM   636  C  CG  . TYR   A 1 81  ? -13.486 19.632 -19.428 1.000 25.735 0 94  TYR   AAA CG  1 ? 
ATOM   637  C  CD1 . TYR   A 1 81  ? -14.351 19.390 -18.373 1.000 26.353 0 94  TYR   AAA CD1 1 ? 
ATOM   638  C  CD2 . TYR   A 1 81  ? -13.622 20.822 -20.122 1.000 26.293 0 94  TYR   AAA CD2 1 ? 
ATOM   639  C  CE1 . TYR   A 1 81  ? -15.320 20.303 -18.010 1.000 25.856 0 94  TYR   AAA CE1 1 ? 
ATOM   640  C  CE2 . TYR   A 1 81  ? -14.573 21.764 -19.752 1.000 25.593 0 94  TYR   AAA CE2 1 ? 
ATOM   641  C  CZ  . TYR   A 1 81  ? -15.420 21.501 -18.697 1.000 26.658 0 94  TYR   AAA CZ  1 ? 
ATOM   642  O  OH  . TYR   A 1 81  ? -16.375 22.410 -18.314 1.000 29.733 0 94  TYR   AAA OH  1 ? 
ATOM   643  N  N   . ASN   A 1 82  ? -15.429 17.436 -20.795 1.000 25.390 0 95  ASN   AAA N   1 ? 
ATOM   644  C  CA  . ASN   A 1 82  ? -16.544 17.532 -21.735 1.000 26.551 0 95  ASN   AAA CA  1 ? 
ATOM   645  C  C   . ASN   A 1 82  ? -17.451 18.674 -21.304 1.000 26.701 0 95  ASN   AAA C   1 ? 
ATOM   646  O  O   . ASN   A 1 82  ? -17.929 18.661 -20.175 1.000 31.301 0 95  ASN   AAA O   1 ? 
ATOM   647  C  CB  . ASN   A 1 82  ? -17.336 16.225 -21.759 1.000 28.082 0 95  ASN   AAA CB  1 ? 
ATOM   648  C  CG  . ASN   A 1 82  ? -18.443 16.180 -22.785 1.000 31.122 0 95  ASN   AAA CG  1 ? 
ATOM   649  O  OD1 . ASN   A 1 82  ? -19.429 16.913 -22.688 1.000 31.854 0 95  ASN   AAA OD1 1 ? 
ATOM   650  N  ND2 . ASN   A 1 82  ? -18.281 15.315 -23.770 1.000 33.846 0 95  ASN   AAA ND2 1 ? 
ATOM   651  N  N   . THR   A 1 83  ? -17.702 19.640 -22.201 1.000 27.645 0 96  THR   AAA N   1 ? 
ATOM   652  C  CA  . THR   A 1 83  ? -18.301 20.910 -21.800 1.000 30.641 0 96  THR   AAA CA  1 ? 
ATOM   653  C  C   . THR   A 1 83  ? -19.817 20.788 -21.646 1.000 31.575 0 96  THR   AAA C   1 ? 
ATOM   654  O  O   . THR   A 1 83  ? -20.439 21.671 -21.046 1.000 36.339 0 96  THR   AAA O   1 ? 
ATOM   655  C  CB  . THR   A 1 83  ? -17.924 22.040 -22.771 1.000 34.049 0 96  THR   AAA CB  1 ? 
ATOM   656  O  OG1 . THR   A 1 83  ? -18.478 21.715 -24.041 1.000 36.360 0 96  THR   AAA OG1 1 ? 
ATOM   657  C  CG2 . THR   A 1 83  ? -16.437 22.253 -22.917 1.000 34.949 0 96  THR   AAA CG2 1 ? 
ATOM   658  N  N   . SER   A 1 84  ? -20.381 19.680 -22.145 1.000 32.599 0 97  SER   AAA N   1 ? 
ATOM   659  C  CA  . SER   A 1 84  ? -21.771 19.318 -21.957 1.000 36.604 0 97  SER   AAA CA  1 ? 
ATOM   660  C  C   . SER   A 1 84  ? -22.013 18.518 -20.677 1.000 38.476 0 97  SER   AAA C   1 ? 
ATOM   661  O  O   . SER   A 1 84  ? -22.837 18.938 -19.876 1.000 37.839 0 97  SER   AAA O   1 ? 
ATOM   662  C  CB  . SER   A 1 84  ? -22.263 18.516 -23.117 1.000 39.602 0 97  SER   AAA CB  1 ? 
ATOM   663  O  OG  . SER   A 1 84  ? -22.335 19.316 -24.270 1.000 46.721 0 97  SER   AAA OG  1 ? 
ATOM   664  N  N   . THR   A 1 85  ? -21.374 17.336 -20.541 1.000 38.149 0 98  THR   AAA N   1 ? 
ATOM   665  C  CA  . THR   A 1 85  ? -21.611 16.423 -19.424 1.000 33.341 0 98  THR   AAA CA  1 ? 
ATOM   666  C  C   . THR   A 1 85  ? -20.912 16.898 -18.150 1.000 30.606 0 98  THR   AAA C   1 ? 
ATOM   667  O  O   . THR   A 1 85  ? -21.295 16.514 -17.047 1.000 31.317 0 98  THR   AAA O   1 ? 
ATOM   668  C  CB  . THR   A 1 85  ? -21.098 15.008 -19.706 1.000 32.585 0 98  THR   AAA CB  1 ? 
ATOM   669  O  OG1 . THR   A 1 85  ? -19.685 15.050 -19.886 1.000 27.993 0 98  THR   AAA OG1 1 ? 
ATOM   670  C  CG2 . THR   A 1 85  ? -21.723 14.368 -20.926 1.000 37.391 0 98  THR   AAA CG2 1 ? 
ATOM   671  N  N   . LEU   A 1 86  ? -19.878 17.720 -18.344 1.000 28.903 0 99  LEU   AAA N   1 ? 
ATOM   672  C  CA  . LEU   A 1 86  ? -18.922 18.142 -17.333 1.000 29.256 0 99  LEU   AAA CA  1 ? 
ATOM   673  C  C   . LEU   A 1 86  ? -18.197 16.944 -16.730 1.000 23.245 0 99  LEU   AAA C   1 ? 
ATOM   674  O  O   . LEU   A 1 86  ? -17.614 17.054 -15.665 1.000 24.877 0 99  LEU   AAA O   1 ? 
ATOM   675  C  CB  . LEU   A 1 86  ? -19.583 19.005 -16.245 1.000 33.388 0 99  LEU   AAA CB  1 ? 
ATOM   676  C  CG  . LEU   A 1 86  ? -19.875 20.482 -16.555 1.000 38.428 0 99  LEU   AAA CG  1 ? 
ATOM   677  C  CD1 . LEU   A 1 86  ? -19.331 21.384 -15.450 1.000 39.307 0 99  LEU   AAA CD1 1 ? 
ATOM   678  C  CD2 . LEU   A 1 86  ? -19.332 20.945 -17.900 1.000 41.844 0 99  LEU   AAA CD2 1 ? 
ATOM   679  N  N   . HIS   A 1 87  ? -18.125 15.825 -17.441 1.000 24.721 0 100 HIS   AAA N   1 ? 
ATOM   680  C  CA  . HIS   A 1 87  ? -17.198 14.781 -17.039 1.000 23.619 0 100 HIS   AAA CA  1 ? 
ATOM   681  C  C   . HIS   A 1 87  ? -15.778 15.343 -17.024 1.000 22.345 0 100 HIS   AAA C   1 ? 
ATOM   682  O  O   . HIS   A 1 87  ? -15.417 16.155 -17.874 1.000 20.029 0 100 HIS   AAA O   1 ? 
ATOM   683  C  CB  . HIS   A 1 87  ? -17.280 13.582 -17.976 1.000 23.887 0 100 HIS   AAA CB  1 ? 
ATOM   684  C  CG  . HIS   A 1 87  ? -18.445 12.720 -17.692 1.000 27.306 0 100 HIS   AAA CG  1 ? 
ATOM   685  N  ND1 . HIS   A 1 87  ? -18.658 11.556 -18.391 1.000 29.156 0 100 HIS   AAA ND1 1 ? 
ATOM   686  C  CD2 . HIS   A 1 87  ? -19.440 12.802 -16.780 1.000 29.077 0 100 HIS   AAA CD2 1 ? 
ATOM   687  C  CE1 . HIS   A 1 87  ? -19.762 10.966 -17.918 1.000 29.256 0 100 HIS   AAA CE1 1 ? 
ATOM   688  N  NE2 . HIS   A 1 87  ? -20.255 11.703 -16.952 1.000 25.843 0 100 HIS   AAA NE2 1 ? 
ATOM   689  N  N   . HIS   A 1 88  ? -14.993 14.891 -16.052 1.000 20.800 0 101 HIS   AAA N   1 ? 
ATOM   690  C  CA  . HIS   A 1 88  ? -13.568 15.151 -16.019 1.000 21.203 0 101 HIS   AAA CA  1 ? 
ATOM   691  C  C   . HIS   A 1 88  ? -13.358 16.651 -15.808 1.000 19.960 0 101 HIS   AAA C   1 ? 
ATOM   692  O  O   . HIS   A 1 88  ? -12.529 17.247 -16.478 1.000 19.063 0 101 HIS   AAA O   1 ? 
ATOM   693  C  CB  . HIS   A 1 88  ? -12.885 14.579 -17.267 1.000 23.224 0 101 HIS   AAA CB  1 ? 
ATOM   694  C  CG  . HIS   A 1 88  ? -13.339 13.199 -17.632 1.000 23.863 0 101 HIS   AAA CG  1 ? 
ATOM   695  N  ND1 . HIS   A 1 88  ? -13.296 12.126 -16.767 1.000 25.611 0 101 HIS   AAA ND1 1 ? 
ATOM   696  C  CD2 . HIS   A 1 88  ? -13.845 12.739 -18.768 1.000 25.521 0 101 HIS   AAA CD2 1 ? 
ATOM   697  C  CE1 . HIS   A 1 88  ? -13.773 11.054 -17.390 1.000 26.069 0 101 HIS   AAA CE1 1 ? 
ATOM   698  N  NE2 . HIS   A 1 88  ? -14.117 11.418 -18.614 1.000 26.037 0 101 HIS   AAA NE2 1 ? 
ATOM   699  N  N   . ASP   A 1 89  ? -14.093 17.217 -14.838 1.000 18.131 0 102 ASP   AAA N   1 ? 
ATOM   700  C  CA  . ASP   A 1 89  ? -14.045 18.638 -14.547 1.000 18.168 0 102 ASP   AAA CA  1 ? 
ATOM   701  C  C   . ASP   A 1 89  ? -12.901 18.928 -13.580 1.000 19.055 0 102 ASP   AAA C   1 ? 
ATOM   702  O  O   . ASP   A 1 89  ? -13.113 19.180 -12.386 1.000 22.803 0 102 ASP   AAA O   1 ? 
ATOM   703  C  CB  . ASP   A 1 89  ? -15.359 19.141 -13.963 1.000 18.276 0 102 ASP   AAA CB  1 ? 
ATOM   704  C  CG  . ASP   A 1 89  ? -15.464 20.654 -13.947 1.000 19.505 0 102 ASP   AAA CG  1 ? 
ATOM   705  O  OD1 . ASP   A 1 89  ? -14.544 21.326 -14.510 1.000 19.192 0 102 ASP   AAA OD1 1 ? 
ATOM   706  O  OD2 . ASP   A 1 89  ? -16.456 21.139 -13.389 1.000 17.897 0 102 ASP   AAA OD2 1 ? 
ATOM   707  N  N   . ILE   A 1 90  ? -11.680 18.874 -14.101 1.000 19.060 0 103 ILE   AAA N   1 ? 
ATOM   708  C  CA  . ILE   A 1 90  ? -10.503 19.038 -13.271 1.000 17.678 0 103 ILE   AAA CA  1 ? 
ATOM   709  C  C   . ILE   A 1 90  ? -9.418  19.698 -14.110 1.000 19.081 0 103 ILE   AAA C   1 ? 
ATOM   710  O  O   . ILE   A 1 90  ? -9.289  19.375 -15.283 1.000 18.457 0 103 ILE   AAA O   1 ? 
ATOM   711  C  CB  . ILE   A 1 90  ? -10.064 17.676 -12.739 1.000 17.439 0 103 ILE   AAA CB  1 ? 
ATOM   712  C  CG1 . ILE   A 1 90  ? -8.883  17.833 -11.778 1.000 17.086 0 103 ILE   AAA CG1 1 ? 
ATOM   713  C  CG2 . ILE   A 1 90  ? -9.758  16.732 -13.909 1.000 18.639 0 103 ILE   AAA CG2 1 ? 
ATOM   714  C  CD1 . ILE   A 1 90  ? -8.688  16.657 -10.867 1.000 18.842 0 103 ILE   AAA CD1 1 ? 
ATOM   715  N  N   . MET   A 1 91  ? -8.650  20.613 -13.494 1.000 17.178 0 104 MET   AAA N   1 ? 
ATOM   716  C  CA  . MET   A 1 91  ? -7.618  21.347 -14.204 1.000 18.055 0 104 MET   AAA CA  1 ? 
ATOM   717  C  C   . MET   A 1 91  ? -6.491  21.697 -13.236 1.000 17.549 0 104 MET   AAA C   1 ? 
ATOM   718  O  O   . MET   A 1 91  ? -6.777  22.044 -12.090 1.000 15.576 0 104 MET   AAA O   1 ? 
ATOM   719  C  CB  . MET   A 1 91  ? -8.170  22.655 -14.780 1.000 18.765 0 104 MET   AAA CB  1 ? 
ATOM   720  C  CG  . MET   A 1 91  ? -7.112  23.578 -15.398 1.000 19.981 0 104 MET   AAA CG  1 ? 
ATOM   721  S  SD  . MET   A 1 91  ? -7.820  24.964 -16.366 1.000 19.542 0 104 MET   AAA SD  1 ? 
ATOM   722  C  CE  . MET   A 1 91  ? -8.728  25.842 -15.095 1.000 16.628 0 104 MET   AAA CE  1 ? 
ATOM   723  N  N   . LEU   A 1 92  ? -5.247  21.667 -13.746 1.000 17.739 0 105 LEU   AAA N   1 ? 
ATOM   724  C  CA  . LEU   A 1 92  ? -4.076  22.118 -13.008 1.000 18.442 0 105 LEU   AAA CA  1 ? 
ATOM   725  C  C   . LEU   A 1 92  ? -3.552  23.409 -13.617 1.000 18.357 0 105 LEU   AAA C   1 ? 
ATOM   726  O  O   . LEU   A 1 92  ? -3.452  23.509 -14.835 1.000 18.747 0 105 LEU   AAA O   1 ? 
ATOM   727  C  CB  . LEU   A 1 92  ? -2.995  21.043 -13.069 1.000 19.373 0 105 LEU   AAA CB  1 ? 
ATOM   728  C  CG  . LEU   A 1 92  ? -3.174  19.907 -12.071 1.000 19.481 0 105 LEU   AAA CG  1 ? 
ATOM   729  C  CD1 . LEU   A 1 92  ? -2.262  18.730 -12.442 1.000 22.121 0 105 LEU   AAA CD1 1 ? 
ATOM   730  C  CD2 . LEU   A 1 92  ? -2.854  20.398 -10.682 1.000 20.668 0 105 LEU   AAA CD2 1 ? 
ATOM   731  N  N   . LEU   A 1 93  ? -3.232  24.377 -12.740 1.000 17.426 0 106 LEU   AAA N   1 ? 
ATOM   732  C  CA  . LEU   A 1 93  ? -2.638  25.634 -13.153 1.000 16.197 0 106 LEU   AAA CA  1 ? 
ATOM   733  C  C   . LEU   A 1 93  ? -1.211  25.681 -12.671 1.000 15.691 0 106 LEU   AAA C   1 ? 
ATOM   734  O  O   . LEU   A 1 93  ? -0.958  25.493 -11.495 1.000 17.194 0 106 LEU   AAA O   1 ? 
ATOM   735  C  CB  . LEU   A 1 93  ? -3.402  26.770 -12.506 1.000 16.215 0 106 LEU   AAA CB  1 ? 
ATOM   736  C  CG  . LEU   A 1 93  ? -4.897  26.764 -12.781 1.000 16.026 0 106 LEU   AAA CG  1 ? 
ATOM   737  C  CD1 . LEU   A 1 93  ? -5.564  27.927 -12.042 1.000 15.702 0 106 LEU   AAA CD1 1 ? 
ATOM   738  C  CD2 . LEU   A 1 93  ? -5.099  26.874 -14.276 1.000 17.705 0 106 LEU   AAA CD2 1 ? 
ATOM   739  N  N   . LYS   A 1 94  ? -0.290  25.889 -13.598 1.000 17.039 0 107 LYS   AAA N   1 ? 
ATOM   740  C  CA  . LYS   A 1 94  ? 1.092   26.048 -13.224 1.000 17.184 0 107 LYS   AAA CA  1 ? 
ATOM   741  C  C   . LYS   A 1 94  ? 1.365   27.529 -13.019 1.000 18.434 0 107 LYS   AAA C   1 ? 
ATOM   742  O  O   . LYS   A 1 94  ? 1.085   28.353 -13.905 1.000 19.610 0 107 LYS   AAA O   1 ? 
ATOM   743  C  CB  . LYS   A 1 94  ? 2.025   25.466 -14.279 1.000 18.389 0 107 LYS   AAA CB  1 ? 
ATOM   744  C  CG  . LYS   A 1 94  ? 3.486   25.615 -13.896 1.000 18.931 0 107 LYS   AAA CG  1 ? 
ATOM   745  C  CD  . LYS   A 1 94  ? 4.395   24.850 -14.793 1.000 20.392 0 107 LYS   AAA CD  1 ? 
ATOM   746  C  CE  . LYS   A 1 94  ? 5.804   24.812 -14.242 1.000 22.782 0 107 LYS   AAA CE  1 ? 
ATOM   747  N  NZ  . LYS   A 1 94  ? 6.722   24.250 -15.246 1.000 24.477 0 107 LYS   AAA NZ  1 ? 
ATOM   748  N  N   . LEU   A 1 95  ? 1.935   27.840 -11.853 1.000 17.126 0 108 LEU   AAA N   1 ? 
ATOM   749  C  CA  . LEU   A 1 95  ? 2.241   29.209 -11.524 1.000 18.631 0 108 LEU   AAA CA  1 ? 
ATOM   750  C  C   . LEU   A 1 95  ? 3.634   29.551 -12.057 1.000 21.421 0 108 LEU   AAA C   1 ? 
ATOM   751  O  O   . LEU   A 1 95  ? 4.518   28.697 -12.182 1.000 22.792 0 108 LEU   AAA O   1 ? 
ATOM   752  C  CB  . LEU   A 1 95  ? 2.161   29.398 -10.015 1.000 19.008 0 108 LEU   AAA CB  1 ? 
ATOM   753  C  CG  . LEU   A 1 95  ? 0.863   28.981 -9.331  1.000 17.676 0 108 LEU   AAA CG  1 ? 
ATOM   754  C  CD1 . LEU   A 1 95  ? 1.001   29.185 -7.823  1.000 18.692 0 108 LEU   AAA CD1 1 ? 
ATOM   755  C  CD2 . LEU   A 1 95  ? -0.331  29.757 -9.868  1.000 16.970 0 108 LEU   AAA CD2 1 ? 
ATOM   756  N  N   . LYS   A 1 96  ? 3.785   30.819 -12.418 1.000 21.516 0 109 LYS   AAA N   1 ? 
ATOM   757  C  CA  . LYS   A 1 96  ? 5.018   31.361 -12.964 1.000 25.256 0 109 LYS   AAA CA  1 ? 
ATOM   758  C  C   . LYS   A 1 96  ? 6.168   31.087 -12.002 1.000 24.908 0 109 LYS   AAA C   1 ? 
ATOM   759  O  O   . LYS   A 1 96  ? 7.283   30.759 -12.419 1.000 24.911 0 109 LYS   AAA O   1 ? 
ATOM   760  C  CB  . LYS   A 1 96  ? 4.864   32.879 -13.126 1.000 27.624 0 109 LYS   AAA CB  1 ? 
ATOM   761  C  CG  . LYS   A 1 96  ? 5.469   33.519 -14.361 1.000 34.125 0 109 LYS   AAA CG  1 ? 
ATOM   762  C  CD  . LYS   A 1 96  ? 6.770   32.971 -14.855 1.000 36.952 0 109 LYS   AAA CD  1 ? 
ATOM   763  C  CE  . LYS   A 1 96  ? 7.509   33.972 -15.733 1.000 38.218 0 109 LYS   AAA CE  1 ? 
ATOM   764  N  NZ  . LYS   A 1 96  ? 6.618   34.601 -16.737 1.000 29.622 0 109 LYS   AAA NZ  1 ? 
ATOM   765  N  N   . GLU   A 1 97  ? 5.934   31.312 -10.705 1.000 23.037 0 110 GLU   AAA N   1 ? 
ATOM   766  C  CA  . GLU   A 1 97  ? 6.975   31.011 -9.728  1.000 26.982 0 110 GLU   AAA CA  1 ? 
ATOM   767  C  C   . GLU   A 1 97  ? 6.390   30.202 -8.571  1.000 24.663 0 110 GLU   AAA C   1 ? 
ATOM   768  O  O   . GLU   A 1 97  ? 5.174   30.174 -8.364  1.000 24.366 0 110 GLU   AAA O   1 ? 
ATOM   769  C  CB  . GLU   A 1 97  ? 7.592   32.288 -9.145  1.000 33.507 0 110 GLU   AAA CB  1 ? 
ATOM   770  C  CG  . GLU   A 1 97  ? 7.720   33.463 -10.126 1.000 46.150 0 110 GLU   AAA CG  1 ? 
ATOM   771  C  CD  . GLU   A 1 97  ? 8.945   33.499 -11.033 1.000 56.615 0 110 GLU   AAA CD  1 ? 
ATOM   772  O  OE1 . GLU   A 1 97  ? 9.162   34.554 -11.707 1.000 58.102 0 110 GLU   AAA OE1 1 ? 
ATOM   773  O  OE2 . GLU   A 1 97  ? 9.681   32.476 -11.083 1.000 61.984 0 110 GLU   AAA OE2 1 ? 
ATOM   774  N  N   . LYS   A 1 98  ? 7.276   29.589 -7.770  1.000 23.155 0 111 LYS   AAA N   1 ? 
ATOM   775  C  CA  . LYS   A 1 98  ? 6.827   28.922 -6.563  1.000 23.208 0 111 LYS   AAA CA  1 ? 
ATOM   776  C  C   . LYS   A 1 98  ? 6.361   29.990 -5.585  1.000 22.674 0 111 LYS   AAA C   1 ? 
ATOM   777  O  O   . LYS   A 1 98  ? 7.077   30.975 -5.381  1.000 23.956 0 111 LYS   AAA O   1 ? 
ATOM   778  C  CB  . LYS   A 1 98  ? 7.914   27.979 -6.029  1.000 24.785 0 111 LYS   AAA CB  1 ? 
ATOM   779  C  CG  . LYS   A 1 98  ? 8.090   26.727 -6.890  1.000 28.151 0 111 LYS   AAA CG  1 ? 
ATOM   780  C  CD  . LYS   A 1 98  ? 9.281   25.854 -6.578  1.000 31.501 0 111 LYS   AAA CD  1 ? 
ATOM   781  C  CE  . LYS   A 1 98  ? 9.410   24.656 -7.506  1.000 35.460 0 111 LYS   AAA CE  1 ? 
ATOM   782  N  NZ  . LYS   A 1 98  ? 10.016  23.476 -6.821  1.000 38.055 0 111 LYS   AAA NZ  1 ? 
ATOM   783  N  N   . ALA   A 1 99  ? 5.197   29.750 -4.952  1.000 18.894 0 112 ALA   AAA N   1 ? 
ATOM   784  C  CA  . ALA   A 1 99  ? 4.702   30.614 -3.884  1.000 20.505 0 112 ALA   AAA CA  1 ? 
ATOM   785  C  C   . ALA   A 1 99  ? 5.621   30.599 -2.659  1.000 20.937 0 112 ALA   AAA C   1 ? 
ATOM   786  O  O   . ALA   A 1 99  ? 6.347   29.649 -2.403  1.000 21.103 0 112 ALA   AAA O   1 ? 
ATOM   787  C  CB  . ALA   A 1 99  ? 3.330   30.199 -3.451  1.000 20.424 0 112 ALA   AAA CB  1 ? 
ATOM   788  N  N   . SER   A 1 100 ? 5.541   31.676 -1.875  1.000 22.013 0 113 SER   AAA N   1 ? 
ATOM   789  C  CA  . SER   A 1 100 ? 6.165   31.707 -0.572  1.000 20.758 0 113 SER   AAA CA  1 ? 
ATOM   790  C  C   . SER   A 1 100 ? 5.284   30.912 0.391   1.000 19.608 0 113 SER   AAA C   1 ? 
ATOM   791  O  O   . SER   A 1 100 ? 4.079   30.991 0.307   1.000 20.742 0 113 SER   AAA O   1 ? 
ATOM   792  C  CB  . SER   A 1 100 ? 6.423   33.132 -0.113  1.000 20.405 0 113 SER   AAA CB  1 ? 
ATOM   793  O  OG  . SER   A 1 100 ? 7.341   33.808 -0.981  1.000 20.974 0 113 SER   AAA OG  1 ? 
ATOM   794  N  N   . LEU   A 1 101 ? 5.910   30.105 1.253   1.000 20.402 0 114 LEU   AAA N   1 ? 
ATOM   795  C  CA  . LEU   A 1 101 ? 5.262   29.468 2.383   1.000 19.855 0 114 LEU   AAA CA  1 ? 
ATOM   796  C  C   . LEU   A 1 101 ? 5.210   30.476 3.516   1.000 20.581 0 114 LEU   AAA C   1 ? 
ATOM   797  O  O   . LEU   A 1 101 ? 6.248   31.066 3.840   1.000 21.558 0 114 LEU   AAA O   1 ? 
ATOM   798  C  CB  . LEU   A 1 101 ? 6.082   28.235 2.788   1.000 22.197 0 114 LEU   AAA CB  1 ? 
ATOM   799  C  CG  . LEU   A 1 101 ? 6.221   27.157 1.717   1.000 21.892 0 114 LEU   AAA CG  1 ? 
ATOM   800  C  CD1 . LEU   A 1 101 ? 6.911   25.926 2.267   1.000 22.571 0 114 LEU   AAA CD1 1 ? 
ATOM   801  C  CD2 . LEU   A 1 101 ? 4.864   26.782 1.156   1.000 24.227 0 114 LEU   AAA CD2 1 ? 
ATOM   802  N  N   . THR   A 1 102 ? 4.008   30.689 4.063   1.000 18.313 0 115 THR   AAA N   1 ? 
ATOM   803  C  CA  . THR   A 1 102 ? 3.809   31.595 5.182   1.000 19.308 0 115 THR   AAA CA  1 ? 
ATOM   804  C  C   . THR   A 1 102 ? 2.783   30.964 6.109   1.000 20.102 0 115 THR   AAA C   1 ? 
ATOM   805  O  O   . THR   A 1 102 ? 2.214   29.956 5.767   1.000 19.431 0 115 THR   AAA O   1 ? 
ATOM   806  C  CB  . THR   A 1 102 ? 3.335   32.989 4.726   1.000 18.884 0 115 THR   AAA CB  1 ? 
ATOM   807  O  OG1 . THR   A 1 102 ? 2.030   32.906 4.128   1.000 17.378 0 115 THR   AAA OG1 1 ? 
ATOM   808  C  CG2 . THR   A 1 102 ? 4.278   33.631 3.734   1.000 19.289 0 115 THR   AAA CG2 1 ? 
ATOM   809  N  N   . LEU   A 1 103 ? 2.458   31.603 7.234   1.000 22.176 0 116 LEU   AAA N   1 ? 
ATOM   810  C  CA  . LEU   A 1 103 ? 1.366   31.087 8.041   1.000 23.369 0 116 LEU   AAA CA  1 ? 
ATOM   811  C  C   . LEU   A 1 103 ? 0.080   31.031 7.212   1.000 21.808 0 116 LEU   AAA C   1 ? 
ATOM   812  O  O   . LEU   A 1 103 ? -0.688  30.074 7.317   1.000 22.905 0 116 LEU   AAA O   1 ? 
ATOM   813  C  CB  . LEU   A 1 103 ? 1.221   31.939 9.308   1.000 26.537 0 116 LEU   AAA CB  1 ? 
ATOM   814  C  CG  . LEU   A 1 103 ? 0.218   31.425 10.344  1.000 29.438 0 116 LEU   AAA CG  1 ? 
ATOM   815  C  CD1 . LEU   A 1 103 ? 0.558   30.020 10.852  1.000 28.822 0 116 LEU   AAA CD1 1 ? 
ATOM   816  C  CD2 . LEU   A 1 103 ? 0.139   32.378 11.523  1.000 31.562 0 116 LEU   AAA CD2 1 ? 
ATOM   817  N  N   . ALA   A 1 104 ? -0.140  32.027 6.353   1.000 20.487 0 117 ALA   AAA N   1 ? 
ATOM   818  C  CA  . ALA   A 1 104 ? -1.377  32.208 5.603   1.000 19.368 0 117 ALA   AAA CA  1 ? 
ATOM   819  C  C   . ALA   A 1 104 ? -1.414  31.443 4.280   1.000 20.213 0 117 ALA   AAA C   1 ? 
ATOM   820  O  O   . ALA   A 1 104 ? -2.464  31.440 3.632   1.000 19.652 0 117 ALA   AAA O   1 ? 
ATOM   821  C  CB  . ALA   A 1 104 ? -1.565  33.669 5.306   1.000 19.260 0 117 ALA   AAA CB  1 ? 
ATOM   822  N  N   . VAL   A 1 105 ? -0.269  30.900 3.833   1.000 21.468 0 118 VAL   AAA N   1 ? 
ATOM   823  C  CA  . VAL   A 1 105 ? -0.143  30.257 2.530   1.000 21.308 0 118 VAL   AAA CA  1 ? 
ATOM   824  C  C   . VAL   A 1 105 ? 0.684   28.984 2.720   1.000 21.024 0 118 VAL   AAA C   1 ? 
ATOM   825  O  O   . VAL   A 1 105 ? 1.861   29.051 3.101   1.000 21.761 0 118 VAL   AAA O   1 ? 
ATOM   826  C  CB  . VAL   A 1 105 ? 0.463   31.183 1.434   1.000 22.011 0 118 VAL   AAA CB  1 ? 
ATOM   827  C  CG1 . VAL   A 1 105 ? 0.679   30.451 0.100   1.000 21.239 0 118 VAL   AAA CG1 1 ? 
ATOM   828  C  CG2 . VAL   A 1 105 ? -0.360  32.446 1.168   1.000 21.926 0 118 VAL   AAA CG2 1 ? 
ATOM   829  N  N   . GLY   A 1 106 ? 0.073   27.837 2.379   1.000 20.034 0 119 GLY   AAA N   1 ? 
ATOM   830  C  CA  . GLY   A 1 106 ? 0.766   26.559 2.327   1.000 19.660 0 119 GLY   AAA CA  1 ? 
ATOM   831  C  C   . GLY   A 1 106 ? 0.030   25.575 1.411   1.000 19.842 0 119 GLY   AAA C   1 ? 
ATOM   832  O  O   . GLY   A 1 106 ? -1.058  25.874 0.910   1.000 20.237 0 119 GLY   AAA O   1 ? 
ATOM   833  N  N   . THR   A 1 107 ? 0.641   24.414 1.177   1.000 21.026 0 120 THR   AAA N   1 ? 
ATOM   834  C  CA  . THR   A 1 107 ? 0.091   23.425 0.271   1.000 20.789 0 120 THR   AAA CA  1 ? 
ATOM   835  C  C   . THR   A 1 107 ? -0.799  22.476 1.054   1.000 23.516 0 120 THR   AAA C   1 ? 
ATOM   836  O  O   . THR   A 1 107 ? -0.718  22.354 2.273   1.000 22.184 0 120 THR   AAA O   1 ? 
ATOM   837  C  CB  . THR   A 1 107 ? 1.155   22.630 -0.494  1.000 20.202 0 120 THR   AAA CB  1 ? 
ATOM   838  O  OG1 . THR   A 1 107 ? 1.851   21.841 0.470   1.000 21.274 0 120 THR   AAA OG1 1 ? 
ATOM   839  C  CG2 . THR   A 1 107 ? 2.143   23.492 -1.231  1.000 20.366 0 120 THR   AAA CG2 1 ? 
ATOM   840  N  N   . LEU   A 1 108 ? -1.684  21.809 0.331   1.000 25.145 0 121 LEU   AAA N   1 ? 
ATOM   841  C  CA  . LEU   A 1 108 ? -2.512  20.806 0.957   1.000 27.611 0 121 LEU   AAA CA  1 ? 
ATOM   842  C  C   . LEU   A 1 108 ? -2.087  19.441 0.409   1.000 33.004 0 121 LEU   AAA C   1 ? 
ATOM   843  O  O   . LEU   A 1 108 ? -2.203  19.343 -0.823  1.000 36.436 0 121 LEU   AAA O   1 ? 
ATOM   844  C  CB  . LEU   A 1 108 ? -3.974  21.125 0.657   1.000 28.361 0 121 LEU   AAA CB  1 ? 
ATOM   845  C  CG  . LEU   A 1 108 ? -4.976  20.076 1.131   1.000 30.267 0 121 LEU   AAA CG  1 ? 
ATOM   846  C  CD1 . LEU   A 1 108 ? -5.029  20.033 2.643   1.000 31.506 0 121 LEU   AAA CD1 1 ? 
ATOM   847  C  CD2 . LEU   A 1 108 ? -6.343  20.350 0.577   1.000 32.220 0 121 LEU   AAA CD2 1 ? 
ATOM   848  N  N   . GLY   A 1 120 ? -21.830 8.528  3.647   1.000 38.584 0 133 GLY   AAA N   1 ? 
ATOM   849  C  CA  . GLY   A 1 120 ? -22.445 8.965  4.922   1.000 38.360 0 133 GLY   AAA CA  1 ? 
ATOM   850  C  C   . GLY   A 1 120 ? -21.608 9.939  5.773   1.000 37.828 0 133 GLY   AAA C   1 ? 
ATOM   851  O  O   . GLY   A 1 120 ? -22.147 10.580 6.675   1.000 38.681 0 133 GLY   AAA O   1 ? 
ATOM   852  N  N   . ARG   A 1 121 ? -20.307 10.091 5.502   1.000 39.286 0 134 ARG   AAA N   1 ? 
ATOM   853  C  CA  . ARG   A 1 121 ? -19.471 10.947 6.336   1.000 42.610 0 134 ARG   AAA CA  1 ? 
ATOM   854  C  C   . ARG   A 1 121 ? -19.669 12.429 5.996   1.000 37.807 0 134 ARG   AAA C   1 ? 
ATOM   855  O  O   . ARG   A 1 121 ? -20.251 12.784 4.969   1.000 35.086 0 134 ARG   AAA O   1 ? 
ATOM   856  C  CB  . ARG   A 1 121 ? -18.006 10.530 6.209   1.000 49.135 0 134 ARG   AAA CB  1 ? 
ATOM   857  C  CG  . ARG   A 1 121 ? -17.411 10.751 4.827   1.000 58.975 0 134 ARG   AAA CG  1 ? 
ATOM   858  C  CD  . ARG   A 1 121 ? -15.923 11.061 4.904   1.000 71.103 0 134 ARG   AAA CD  1 ? 
ATOM   859  N  NE  . ARG   A 1 121 ? -15.637 12.207 5.769   1.000 79.741 0 134 ARG   AAA NE  1 ? 
ATOM   860  C  CZ  . ARG   A 1 121 ? -14.967 12.155 6.922   1.000 93.022 0 134 ARG   AAA CZ  1 ? 
ATOM   861  N  NH1 . ARG   A 1 121 ? -14.586 10.996 7.434   1.000 94.438 0 134 ARG   AAA NH1 1 ? 
ATOM   862  N  NH2 . ARG   A 1 121 ? -14.700 13.273 7.578   1.000 98.496 0 134 ARG   AAA NH2 1 ? 
ATOM   863  N  N   . MET   A 1 122 ? -19.196 13.300 6.892   1.000 34.244 0 135 MET   AAA N   1 ? 
ATOM   864  C  CA  . MET   A 1 122 ? -19.345 14.741 6.732   1.000 34.233 0 135 MET   AAA CA  1 ? 
ATOM   865  C  C   . MET   A 1 122 ? -18.042 15.310 6.172   1.000 30.759 0 135 MET   AAA C   1 ? 
ATOM   866  O  O   . MET   A 1 122 ? -16.957 14.861 6.505   1.000 27.972 0 135 MET   AAA O   1 ? 
ATOM   867  C  CB  . MET   A 1 122 ? -19.705 15.417 8.062   1.000 36.254 0 135 MET   AAA CB  1 ? 
ATOM   868  C  CG  . MET   A 1 122 ? -21.140 15.115 8.520   1.000 41.671 0 135 MET   AAA CG  1 ? 
ATOM   869  S  SD  . MET   A 1 122 ? -22.491 15.906 7.549   1.000 45.540 0 135 MET   AAA SD  1 ? 
ATOM   870  C  CE  . MET   A 1 122 ? -23.932 15.226 8.371   1.000 57.491 0 135 MET   AAA CE  1 ? 
ATOM   871  N  N   . CYS   A 1 123 ? -18.150 16.261 5.248   1.000 31.933 0 136 CYS   AAA N   1 ? 
ATOM   872  C  CA  . CYS   A 1 123 ? -16.977 16.872 4.637   1.000 29.501 0 136 CYS   AAA CA  1 ? 
ATOM   873  C  C   . CYS   A 1 123 ? -17.203 18.375 4.657   1.000 27.840 0 136 CYS   AAA C   1 ? 
ATOM   874  O  O   . CYS   A 1 123 ? -18.269 18.836 5.064   1.000 29.177 0 136 CYS   AAA O   1 ? 
ATOM   875  C  CB  . CYS   A 1 123 ? -16.742 16.368 3.212   1.000 31.162 0 136 CYS   AAA CB  1 ? 
ATOM   876  S  SG  . CYS   A 1 123 ? -16.596 14.562 3.064   1.000 29.938 0 136 CYS   AAA SG  1 ? 
ATOM   877  N  N   . ARG   A 1 124 ? -16.187 19.140 4.279   1.000 25.508 0 137 ARG   AAA N   1 ? 
ATOM   878  C  CA  . ARG   A 1 124 ? -16.313 20.581 4.371   1.000 27.703 0 137 ARG   AAA CA  1 ? 
ATOM   879  C  C   . ARG   A 1 124 ? -15.812 21.217 3.080   1.000 23.921 0 137 ARG   AAA C   1 ? 
ATOM   880  O  O   . ARG   A 1 124 ? -14.867 20.726 2.465   1.000 23.308 0 137 ARG   AAA O   1 ? 
ATOM   881  C  CB  . ARG   A 1 124 ? -15.567 21.100 5.603   1.000 32.020 0 137 ARG   AAA CB  1 ? 
ATOM   882  C  CG  . ARG   A 1 124 ? -14.062 20.954 5.507   1.000 38.720 0 137 ARG   AAA CG  1 ? 
ATOM   883  C  CD  . ARG   A 1 124 ? -13.384 21.585 6.709   1.000 45.358 0 137 ARG   AAA CD  1 ? 
ATOM   884  N  NE  . ARG   A 1 124 ? -12.294 20.748 7.157   1.000 44.190 0 137 ARG   AAA NE  1 ? 
ATOM   885  C  CZ  . ARG   A 1 124 ? -11.029 20.936 6.824   1.000 47.369 0 137 ARG   AAA CZ  1 ? 
ATOM   886  N  NH1 . ARG   A 1 124 ? -10.724 21.905 5.979   1.000 51.498 0 137 ARG   AAA NH1 1 ? 
ATOM   887  N  NH2 . ARG   A 1 124 ? -10.088 20.136 7.308   1.000 44.932 0 137 ARG   AAA NH2 1 ? 
ATOM   888  N  N   . VAL   A 1 125 ? -16.482 22.293 2.667   1.000 24.208 0 138 VAL   AAA N   1 ? 
ATOM   889  C  CA  . VAL   A 1 125 ? -16.076 22.989 1.466   1.000 24.727 0 138 VAL   AAA CA  1 ? 
ATOM   890  C  C   . VAL   A 1 125 ? -16.047 24.481 1.775   1.000 22.813 0 138 VAL   AAA C   1 ? 
ATOM   891  O  O   . VAL   A 1 125 ? -16.921 24.983 2.479   1.000 22.503 0 138 VAL   AAA O   1 ? 
ATOM   892  C  CB  . VAL   A 1 125 ? -16.976 22.633 0.267   1.000 25.379 0 138 VAL   AAA CB  1 ? 
ATOM   893  C  CG1 . VAL   A 1 125 ? -18.429 23.019 0.481   1.000 26.337 0 138 VAL   AAA CG1 1 ? 
ATOM   894  C  CG2 . VAL   A 1 125 ? -16.439 23.294 -0.997  1.000 23.953 0 138 VAL   AAA CG2 1 ? 
ATOM   895  N  N   . ALA   A 1 126 ? -15.051 25.169 1.207   1.000 22.274 0 139 ALA   AAA N   1 ? 
ATOM   896  C  CA  . ALA   A 1 126 ? -14.839 26.587 1.449   1.000 22.250 0 139 ALA   AAA CA  1 ? 
ATOM   897  C  C   . ALA   A 1 126 ? -14.800 27.363 0.129   1.000 21.939 0 139 ALA   AAA C   1 ? 
ATOM   898  O  O   . ALA   A 1 126 ? -14.384 26.829 -0.896  1.000 20.384 0 139 ALA   AAA O   1 ? 
ATOM   899  C  CB  . ALA   A 1 126 ? -13.550 26.779 2.214   1.000 23.627 0 139 ALA   AAA CB  1 ? 
ATOM   900  N  N   . GLY   A 1 127 ? -15.226 28.636 0.156   1.000 20.118 0 140 GLY   AAA N   1 ? 
ATOM   901  C  CA  . GLY   A 1 127 ? -15.141 29.466 -1.034  1.000 19.726 0 140 GLY   AAA CA  1 ? 
ATOM   902  C  C   . GLY   A 1 127 ? -15.661 30.884 -0.833  1.000 22.479 0 140 GLY   AAA C   1 ? 
ATOM   903  O  O   . GLY   A 1 127 ? -16.173 31.238 0.241   1.000 19.437 0 140 GLY   AAA O   1 ? 
ATOM   904  N  N   . TRP   A 1 128 ? -15.486 31.683 -1.898  1.000 21.181 0 141 TRP   AAA N   1 ? 
ATOM   905  C  CA  . TRP   A 1 128 ? -15.878 33.077 -1.922  1.000 20.821 0 141 TRP   AAA CA  1 ? 
ATOM   906  C  C   . TRP   A 1 128 ? -17.109 33.221 -2.800  1.000 21.800 0 141 TRP   AAA C   1 ? 
ATOM   907  O  O   . TRP   A 1 128 ? -17.448 34.333 -3.176  1.000 25.387 0 141 TRP   AAA O   1 ? 
ATOM   908  C  CB  . TRP   A 1 128 ? -14.746 33.980 -2.457  1.000 20.350 0 141 TRP   AAA CB  1 ? 
ATOM   909  C  CG  . TRP   A 1 128 ? -13.550 34.107 -1.574  1.000 20.434 0 141 TRP   AAA CG  1 ? 
ATOM   910  C  CD1 . TRP   A 1 128 ? -13.354 35.073 -0.640  1.000 23.724 0 141 TRP   AAA CD1 1 ? 
ATOM   911  C  CD2 . TRP   A 1 128 ? -12.354 33.306 -1.568  1.000 20.908 0 141 TRP   AAA CD2 1 ? 
ATOM   912  N  NE1 . TRP   A 1 128 ? -12.145 34.910 -0.025  1.000 21.160 0 141 TRP   AAA NE1 1 ? 
ATOM   913  C  CE2 . TRP   A 1 128 ? -11.495 33.857 -0.595  1.000 20.552 0 141 TRP   AAA CE2 1 ? 
ATOM   914  C  CE3 . TRP   A 1 128 ? -11.912 32.198 -2.301  1.000 20.426 0 141 TRP   AAA CE3 1 ? 
ATOM   915  C  CZ2 . TRP   A 1 128 ? -10.253 33.305 -0.290  1.000 21.089 0 141 TRP   AAA CZ2 1 ? 
ATOM   916  C  CZ3 . TRP   A 1 128 ? -10.661 31.680 -2.036  1.000 20.442 0 141 TRP   AAA CZ3 1 ? 
ATOM   917  C  CH2 . TRP   A 1 128 ? -9.856  32.213 -1.029  1.000 21.218 0 141 TRP   AAA CH2 1 ? 
ATOM   918  N  N   . GLY   A 1 129 ? -17.806 32.114 -3.074  1.000 21.837 0 142 GLY   AAA N   1 ? 
ATOM   919  C  CA  . GLY   A 1 129 ? -18.967 32.168 -3.943  1.000 23.371 0 142 GLY   AAA CA  1 ? 
ATOM   920  C  C   . GLY   A 1 129 ? -20.162 32.876 -3.294  1.000 25.877 0 142 GLY   AAA C   1 ? 
ATOM   921  O  O   . GLY   A 1 129 ? -20.122 33.271 -2.123  1.000 26.522 0 142 GLY   AAA O   1 ? 
ATOM   922  N  N   . ARG   A 1 130 ? -21.244 32.940 -4.076  1.000 26.564 0 143 ARG   AAA N   1 ? 
ATOM   923  C  CA  . ARG   A 1 130 ? -22.507 33.556 -3.601  1.000 28.280 0 143 ARG   AAA CA  1 ? 
ATOM   924  C  C   . ARG   A 1 130 ? -23.046 32.859 -2.346  1.000 29.306 0 143 ARG   AAA C   1 ? 
ATOM   925  O  O   . ARG   A 1 130 ? -22.844 31.648 -2.192  1.000 23.834 0 143 ARG   AAA O   1 ? 
ATOM   926  C  CB  . ARG   A 1 130 ? -23.546 33.534 -4.727  1.000 30.372 0 143 ARG   AAA CB  1 ? 
ATOM   927  C  CG  . ARG   A 1 130 ? -23.051 34.120 -6.040  1.000 32.046 0 143 ARG   AAA CG  1 ? 
ATOM   928  C  CD  . ARG   A 1 130 ? -24.162 34.273 -7.056  1.000 36.586 0 143 ARG   AAA CD  1 ? 
ATOM   929  N  NE  . ARG   A 1 130 ? -23.624 34.610 -8.363  1.000 42.821 0 143 ARG   AAA NE  1 ? 
ATOM   930  C  CZ  . ARG   A 1 130 ? -24.353 34.985 -9.405  1.000 51.175 0 143 ARG   AAA CZ  1 ? 
ATOM   931  N  NH1 . ARG   A 1 130 ? -25.672 34.935 -9.343  1.000 57.570 0 143 ARG   AAA NH1 1 ? 
ATOM   932  N  NH2 . ARG   A 1 130 ? -23.760 35.405 -10.509 1.000 49.403 0 143 ARG   AAA NH2 1 ? 
ATOM   933  N  N   . THR   A 1 131 ? -23.709 33.632 -1.491  1.000 29.298 0 144 THR   AAA N   1 ? 
ATOM   934  C  CA  . THR   A 1 131 ? -24.269 33.113 -0.219  1.000 30.183 0 144 THR   AAA CA  1 ? 
ATOM   935  C  C   . THR   A 1 131 ? -25.761 32.858 -0.429  1.000 30.677 0 144 THR   AAA C   1 ? 
ATOM   936  O  O   . THR   A 1 131 ? -26.438 32.507 0.539   1.000 32.851 0 144 THR   AAA O   1 ? 
ATOM   937  C  CB  . THR   A 1 131 ? -23.977 34.121 0.895   1.000 30.569 0 144 THR   AAA CB  1 ? 
ATOM   938  O  OG1 . THR   A 1 131 ? -24.561 35.369 0.528   1.000 30.867 0 144 THR   AAA OG1 1 ? 
ATOM   939  C  CG2 . THR   A 1 131 ? -22.493 34.298 1.124   1.000 30.456 0 144 THR   AAA CG2 1 ? 
ATOM   940  N  N   . GLY   A 1 132 ? -26.221 33.012 -1.664  1.000 33.325 0 145 GLY   AAA N   1 ? 
ATOM   941  C  CA  . GLY   A 1 132 ? -27.634 32.801 -2.012  1.000 34.323 0 145 GLY   AAA CA  1 ? 
ATOM   942  C  C   . GLY   A 1 132 ? -27.817 32.869 -3.515  1.000 34.407 0 145 GLY   AAA C   1 ? 
ATOM   943  O  O   . GLY   A 1 132 ? -26.926 33.402 -4.187  1.000 28.577 0 145 GLY   AAA O   1 ? 
ATOM   944  N  N   . VAL   A 1 133 ? -28.931 32.338 -4.012  1.000 33.646 0 146 VAL   AAA N   1 ? 
ATOM   945  C  CA  . VAL   A 1 133 ? -29.198 32.298 -5.477  1.000 36.344 0 146 VAL   AAA CA  1 ? 
ATOM   946  C  C   . VAL   A 1 133 ? -29.149 33.723 -6.026  1.000 36.783 0 146 VAL   AAA C   1 ? 
ATOM   947  O  O   . VAL   A 1 133 ? -28.604 33.916 -7.108  1.000 42.147 0 146 VAL   AAA O   1 ? 
ATOM   948  C  CB  . VAL   A 1 133 ? -30.543 31.609 -5.791  1.000 37.136 0 146 VAL   AAA CB  1 ? 
ATOM   949  C  CG1 . VAL   A 1 133 ? -30.909 31.722 -7.261  1.000 38.999 0 146 VAL   AAA CG1 1 ? 
ATOM   950  C  CG2 . VAL   A 1 133 ? -30.556 30.154 -5.352  1.000 39.176 0 146 VAL   AAA CG2 1 ? 
ATOM   951  N  N   . LEU   A 1 134 ? -29.694 34.676 -5.286  1.000 40.305 0 147 LEU   AAA N   1 ? 
ATOM   952  C  CA  . LEU   A 1 134 ? -29.763 36.060 -5.816  1.000 42.905 0 147 LEU   AAA CA  1 ? 
ATOM   953  C  C   . LEU   A 1 134 ? -28.755 36.945 -5.081  1.000 40.250 0 147 LEU   AAA C   1 ? 
ATOM   954  O  O   . LEU   A 1 134 ? -28.811 38.167 -5.268  1.000 51.146 0 147 LEU   AAA O   1 ? 
ATOM   955  C  CB  . LEU   A 1 134 ? -31.192 36.567 -5.629  1.000 43.395 0 147 LEU   AAA CB  1 ? 
ATOM   956  C  CG  . LEU   A 1 134 ? -32.290 35.561 -5.959  1.000 48.766 0 147 LEU   AAA CG  1 ? 
ATOM   957  C  CD1 . LEU   A 1 134 ? -33.586 35.943 -5.269  1.000 52.067 0 147 LEU   AAA CD1 1 ? 
ATOM   958  C  CD2 . LEU   A 1 134 ? -32.493 35.462 -7.462  1.000 49.080 0 147 LEU   AAA CD2 1 ? 
ATOM   959  N  N   . LYS   A 1 135 ? -27.884 36.350 -4.278  1.000 37.962 0 148 LYS   AAA N   1 ? 
ATOM   960  C  CA  . LYS   A 1 135 ? -26.926 37.142 -3.466  1.000 37.362 0 148 LYS   AAA CA  1 ? 
ATOM   961  C  C   . LYS   A 1 135 ? -25.590 37.279 -4.196  1.000 35.965 0 148 LYS   AAA C   1 ? 
ATOM   962  O  O   . LYS   A 1 135 ? -25.234 36.395 -4.977  1.000 32.012 0 148 LYS   AAA O   1 ? 
ATOM   963  C  CB  . LYS   A 1 135 ? -26.724 36.493 -2.096  1.000 39.381 0 148 LYS   AAA CB  1 ? 
ATOM   964  C  CG  . LYS   A 1 135 ? -28.000 36.148 -1.345  1.000 44.208 0 148 LYS   AAA CG  1 ? 
ATOM   965  C  CD  . LYS   A 1 135 ? -28.716 37.364 -0.817  1.000 49.109 0 148 LYS   AAA CD  1 ? 
ATOM   966  C  CE  . LYS   A 1 135 ? -29.826 37.021 0.153   1.000 55.807 0 148 LYS   AAA CE  1 ? 
ATOM   967  N  NZ  . LYS   A 1 135 ? -29.311 36.335 1.360   1.000 56.891 0 148 LYS   AAA NZ  1 ? 
ATOM   968  N  N   . PRO   A 1 136 ? -24.846 38.370 -3.954  1.000 37.873 0 150 PRO   AAA N   1 ? 
ATOM   969  C  CA  . PRO   A 1 136 ? -23.538 38.541 -4.561  1.000 37.797 0 150 PRO   AAA CA  1 ? 
ATOM   970  C  C   . PRO   A 1 136 ? -22.470 37.611 -3.963  1.000 31.851 0 150 PRO   AAA C   1 ? 
ATOM   971  O  O   . PRO   A 1 136 ? -22.729 36.992 -2.961  1.000 30.059 0 150 PRO   AAA O   1 ? 
ATOM   972  C  CB  . PRO   A 1 136 ? -23.219 40.002 -4.210  1.000 37.520 0 150 PRO   AAA CB  1 ? 
ATOM   973  C  CG  . PRO   A 1 136 ? -23.927 40.227 -2.902  1.000 37.678 0 150 PRO   AAA CG  1 ? 
ATOM   974  C  CD  . PRO   A 1 136 ? -25.223 39.467 -3.062  1.000 40.936 0 150 PRO   AAA CD  1 ? 
ATOM   975  N  N   . GLY   A 1 137 ? -21.315 37.528 -4.620  1.000 29.204 0 151 GLY   AAA N   1 ? 
ATOM   976  C  CA  . GLY   A 1 137 ? -20.192 36.758 -4.066  1.000 27.693 0 151 GLY   AAA CA  1 ? 
ATOM   977  C  C   . GLY   A 1 137 ? -19.807 37.275 -2.697  1.000 26.945 0 151 GLY   AAA C   1 ? 
ATOM   978  O  O   . GLY   A 1 137 ? -20.052 38.450 -2.423  1.000 29.809 0 151 GLY   AAA O   1 ? 
ATOM   979  N  N   . SER   A 1 138 ? -19.246 36.414 -1.868  1.000 26.214 0 152 SER   AAA N   1 ? 
ATOM   980  C  CA  . SER   A 1 138 ? -18.885 36.757 -0.510  1.000 26.511 0 152 SER   AAA CA  1 ? 
ATOM   981  C  C   . SER   A 1 138 ? -17.566 37.524 -0.519  1.000 27.382 0 152 SER   AAA C   1 ? 
ATOM   982  O  O   . SER   A 1 138 ? -16.656 37.150 -1.248  1.000 28.856 0 152 SER   AAA O   1 ? 
ATOM   983  C  CB  . SER   A 1 138 ? -18.786 35.501 0.319   1.000 24.669 0 152 SER   AAA CB  1 ? 
ATOM   984  O  OG  . SER   A 1 138 ? -18.324 35.784 1.635   1.000 25.903 0 152 SER   AAA OG  1 ? 
ATOM   985  N  N   . ASP   A 1 139 ? -17.459 38.576 0.293   1.000 26.466 0 153 ASP   AAA N   1 ? 
ATOM   986  C  CA  . ASP   A 1 139 ? -16.193 39.283 0.397   1.000 28.356 0 153 ASP   AAA CA  1 ? 
ATOM   987  C  C   . ASP   A 1 139 ? -15.190 38.387 1.113   1.000 25.853 0 153 ASP   AAA C   1 ? 
ATOM   988  O  O   . ASP   A 1 139 ? -13.997 38.508 0.874   1.000 25.006 0 153 ASP   AAA O   1 ? 
ATOM   989  C  CB  . ASP   A 1 139 ? -16.305 40.606 1.152   1.000 32.288 0 153 ASP   AAA CB  1 ? 
ATOM   990  C  CG  . ASP   A 1 139 ? -17.017 41.724 0.396   1.000 37.873 0 153 ASP   AAA CG  1 ? 
ATOM   991  O  OD1 . ASP   A 1 139 ? -17.308 41.569 -0.840  1.000 43.195 0 153 ASP   AAA OD1 1 ? 
ATOM   992  O  OD2 . ASP   A 1 139 ? -17.276 42.739 1.047   1.000 39.668 0 153 ASP   AAA OD2 1 ? 
ATOM   993  N  N   . THR   A 1 140 ? -15.690 37.523 2.017   1.000 26.377 0 154 THR   AAA N   1 ? 
ATOM   994  C  CA  . THR   A 1 140 ? -14.835 36.741 2.897   1.000 25.106 0 154 THR   AAA CA  1 ? 
ATOM   995  C  C   . THR   A 1 140 ? -14.992 35.245 2.646   1.000 24.616 0 154 THR   AAA C   1 ? 
ATOM   996  O  O   . THR   A 1 140 ? -16.058 34.769 2.240   1.000 25.443 0 154 THR   AAA O   1 ? 
ATOM   997  C  CB  . THR   A 1 140 ? -15.157 36.981 4.378   1.000 27.122 0 154 THR   AAA CB  1 ? 
ATOM   998  O  OG1 . THR   A 1 140 ? -16.547 36.666 4.538   1.000 24.769 0 154 THR   AAA OG1 1 ? 
ATOM   999  C  CG2 . THR   A 1 140 ? -14.835 38.393 4.834   1.000 27.316 0 154 THR   AAA CG2 1 ? 
ATOM   1000 N  N   . LEU   A 1 141 ? -13.926 34.501 2.949   1.000 21.847 0 155 LEU   AAA N   1 ? 
ATOM   1001 C  CA  . LEU   A 1 141 ? -13.961 33.056 2.781   1.000 22.318 0 155 LEU   AAA CA  1 ? 
ATOM   1002 C  C   . LEU   A 1 141 ? -14.953 32.467 3.778   1.000 23.266 0 155 LEU   AAA C   1 ? 
ATOM   1003 O  O   . LEU   A 1 141 ? -14.853 32.709 4.982   1.000 22.063 0 155 LEU   AAA O   1 ? 
ATOM   1004 C  CB  . LEU   A 1 141 ? -12.560 32.502 3.017   1.000 20.100 0 155 LEU   AAA CB  1 ? 
ATOM   1005 C  CG  . LEU   A 1 141 ? -12.362 31.011 2.775   1.000 20.966 0 155 LEU   AAA CG  1 ? 
ATOM   1006 C  CD1 . LEU   A 1 141 ? -12.426 30.673 1.288   1.000 21.560 0 155 LEU   AAA CD1 1 ? 
ATOM   1007 C  CD2 . LEU   A 1 141 ? -11.023 30.601 3.337   1.000 20.684 0 155 LEU   AAA CD2 1 ? 
ATOM   1008 N  N   . GLN   A 1 142 ? -15.895 31.686 3.234   1.000 23.721 0 156 GLN   AAA N   1 ? 
ATOM   1009 C  CA  . GLN   A 1 142 ? -16.918 30.992 3.991   1.000 23.032 0 156 GLN   AAA CA  1 ? 
ATOM   1010 C  C   . GLN   A 1 142 ? -16.673 29.496 3.881   1.000 22.955 0 156 GLN   AAA C   1 ? 
ATOM   1011 O  O   . GLN   A 1 142 ? -16.129 29.047 2.878   1.000 21.961 0 156 GLN   AAA O   1 ? 
ATOM   1012 C  CB  . GLN   A 1 142 ? -18.294 31.253 3.382   1.000 23.334 0 156 GLN   AAA CB  1 ? 
ATOM   1013 C  CG  . GLN   A 1 142 ? -18.685 32.723 3.296   1.000 25.640 0 156 GLN   AAA CG  1 ? 
ATOM   1014 C  CD  . GLN   A 1 142 ? -19.279 33.277 4.559   1.000 26.966 0 156 GLN   AAA CD  1 ? 
ATOM   1015 O  OE1 . GLN   A 1 142 ? -18.796 34.274 5.107   1.000 33.107 0 156 GLN   AAA OE1 1 ? 
ATOM   1016 N  NE2 . GLN   A 1 142 ? -20.319 32.623 5.044   1.000 25.427 0 156 GLN   AAA NE2 1 ? 
ATOM   1017 N  N   . GLU   A 1 143 ? -17.125 28.740 4.882   1.000 24.540 0 157 GLU   AAA N   1 ? 
ATOM   1018 C  CA  . GLU   A 1 143 ? -17.008 27.287 4.866   1.000 27.187 0 157 GLU   AAA CA  1 ? 
ATOM   1019 C  C   . GLU   A 1 143 ? -18.346 26.666 5.291   1.000 25.650 0 157 GLU   AAA C   1 ? 
ATOM   1020 O  O   . GLU   A 1 143 ? -19.089 27.239 6.089   1.000 22.890 0 157 GLU   AAA O   1 ? 
ATOM   1021 C  CB  . GLU   A 1 143 ? -15.813 26.839 5.726   1.000 28.953 0 157 GLU   AAA CB  1 ? 
ATOM   1022 C  CG  . GLU   A 1 143 ? -15.363 25.428 5.366   1.000 35.207 0 157 GLU   AAA CG  1 ? 
ATOM   1023 C  CD  . GLU   A 1 143 ? -14.181 24.837 6.121   1.000 38.565 0 157 GLU   AAA CD  1 ? 
ATOM   1024 O  OE1 . GLU   A 1 143 ? -14.397 24.433 7.271   1.000 34.280 0 157 GLU   AAA OE1 1 ? 
ATOM   1025 O  OE2 . GLU   A 1 143 ? -13.045 24.768 5.548   1.000 37.262 0 157 GLU   AAA OE2 1 ? 
ATOM   1026 N  N   . VAL   A 1 144 ? -18.696 25.513 4.695   1.000 26.487 0 158 VAL   AAA N   1 ? 
ATOM   1027 C  CA  . VAL   A 1 144 ? -19.896 24.789 5.091   1.000 26.337 0 158 VAL   AAA CA  1 ? 
ATOM   1028 C  C   . VAL   A 1 144 ? -19.559 23.294 5.196   1.000 26.766 0 158 VAL   AAA C   1 ? 
ATOM   1029 O  O   . VAL   A 1 144 ? -18.670 22.796 4.505   1.000 23.203 0 158 VAL   AAA O   1 ? 
ATOM   1030 C  CB  . VAL   A 1 144 ? -21.063 25.078 4.127   1.000 26.374 0 158 VAL   AAA CB  1 ? 
ATOM   1031 C  CG1 . VAL   A 1 144 ? -20.900 24.392 2.768   1.000 24.708 0 158 VAL   AAA CG1 1 ? 
ATOM   1032 C  CG2 . VAL   A 1 144 ? -22.388 24.677 4.739   1.000 27.401 0 158 VAL   AAA CG2 1 ? 
ATOM   1033 N  N   . LYS   A 1 145 ? -20.204 22.597 6.138   1.000 26.514 0 159 LYS   AAA N   1 ? 
ATOM   1034 C  CA  . LYS   A 1 145 ? -20.078 21.156 6.229   1.000 27.498 0 159 LYS   AAA CA  1 ? 
ATOM   1035 C  C   . LYS   A 1 145 ? -21.270 20.557 5.495   1.000 26.193 0 159 LYS   AAA C   1 ? 
ATOM   1036 O  O   . LYS   A 1 145 ? -22.385 21.011 5.696   1.000 28.338 0 159 LYS   AAA O   1 ? 
ATOM   1037 C  CB  . LYS   A 1 145 ? -20.021 20.674 7.658   1.000 28.309 0 159 LYS   AAA CB  1 ? 
ATOM   1038 N  N   . LEU   A 1 146 ? -20.980 19.586 4.625   1.000 26.711 0 160 LEU   AAA N   1 ? 
ATOM   1039 C  CA  . LEU   A 1 146 ? -21.956 18.920 3.781   1.000 24.516 0 160 LEU   AAA CA  1 ? 
ATOM   1040 C  C   . LEU   A 1 146 ? -21.805 17.411 3.920   1.000 25.092 0 160 LEU   AAA C   1 ? 
ATOM   1041 O  O   . LEU   A 1 146 ? -20.698 16.888 4.060   1.000 25.485 0 160 LEU   AAA O   1 ? 
ATOM   1042 C  CB  . LEU   A 1 146 ? -21.708 19.325 2.328   1.000 24.969 0 160 LEU   AAA CB  1 ? 
ATOM   1043 C  CG  . LEU   A 1 146 ? -21.767 20.821 2.032   1.000 27.237 0 160 LEU   AAA CG  1 ? 
ATOM   1044 C  CD1 . LEU   A 1 146 ? -21.338 21.098 0.594   1.000 26.340 0 160 LEU   AAA CD1 1 ? 
ATOM   1045 C  CD2 . LEU   A 1 146 ? -23.163 21.388 2.303   1.000 26.490 0 160 LEU   AAA CD2 1 ? 
ATOM   1046 N  N   . ARG   A 1 147 ? -22.926 16.707 3.758   1.000 27.761 0 161 ARG   AAA N   1 ? 
ATOM   1047 C  CA  . ARG   A 1 147 ? -22.922 15.261 3.832   1.000 27.309 0 161 ARG   AAA CA  1 ? 
ATOM   1048 C  C   . ARG   A 1 147 ? -22.623 14.637 2.473   1.000 24.766 0 161 ARG   AAA C   1 ? 
ATOM   1049 O  O   . ARG   A 1 147 ? -23.207 14.999 1.462   1.000 21.895 0 161 ARG   AAA O   1 ? 
ATOM   1050 C  CB  . ARG   A 1 147 ? -24.245 14.696 4.354   1.000 31.293 0 161 ARG   AAA CB  1 ? 
ATOM   1051 C  CG  . ARG   A 1 147 ? -24.093 13.246 4.811   1.000 36.760 0 161 ARG   AAA CG  1 ? 
ATOM   1052 C  CD  . ARG   A 1 147 ? -25.225 12.720 5.676   1.000 45.682 0 161 ARG   AAA CD  1 ? 
ATOM   1053 N  NE  . ARG   A 1 147 ? -26.179 12.068 4.793   1.000 55.486 0 161 ARG   AAA NE  1 ? 
ATOM   1054 C  CZ  . ARG   A 1 147 ? -26.513 10.785 4.832   1.000 55.912 0 161 ARG   AAA CZ  1 ? 
ATOM   1055 N  NH1 . ARG   A 1 147 ? -26.484 10.118 5.971   1.000 58.847 0 161 ARG   AAA NH1 1 ? 
ATOM   1056 N  NH2 . ARG   A 1 147 ? -26.979 10.208 3.738   1.000 61.036 0 161 ARG   AAA NH2 1 ? 
ATOM   1057 N  N   . LEU   A 1 148 ? -21.751 13.630 2.488   1.000 24.019 0 162 LEU   AAA N   1 ? 
ATOM   1058 C  CA  . LEU   A 1 148 ? -21.488 12.798 1.320   1.000 27.061 0 162 LEU   AAA CA  1 ? 
ATOM   1059 C  C   . LEU   A 1 148 ? -22.663 11.828 1.116   1.000 26.811 0 162 LEU   AAA C   1 ? 
ATOM   1060 O  O   . LEU   A 1 148 ? -22.941 11.007 1.984   1.000 21.603 0 162 LEU   AAA O   1 ? 
ATOM   1061 C  CB  . LEU   A 1 148 ? -20.187 12.057 1.627   1.000 31.185 0 162 LEU   AAA CB  1 ? 
ATOM   1062 C  CG  . LEU   A 1 148 ? -19.246 11.758 0.472   1.000 35.107 0 162 LEU   AAA CG  1 ? 
ATOM   1063 C  CD1 . LEU   A 1 148 ? -18.852 13.035 -0.254  1.000 36.252 0 162 LEU   AAA CD1 1 ? 
ATOM   1064 C  CD2 . LEU   A 1 148 ? -18.003 11.075 1.011   1.000 37.326 0 162 LEU   AAA CD2 1 ? 
ATOM   1065 N  N   . MET   A 1 149 ? -23.337 11.915 -0.034  1.000 23.942 0 163 MET   AAA N   1 ? 
ATOM   1066 C  CA  . MET   A 1 149 ? -24.552 11.159 -0.261  1.000 22.953 0 163 MET   AAA CA  1 ? 
ATOM   1067 C  C   . MET   A 1 149 ? -24.255 9.891  -1.060  1.000 21.653 0 163 MET   AAA C   1 ? 
ATOM   1068 O  O   . MET   A 1 149 ? -23.270 9.806  -1.793  1.000 20.218 0 163 MET   AAA O   1 ? 
ATOM   1069 C  CB  . MET   A 1 149 ? -25.555 12.022 -1.032  1.000 23.137 0 163 MET   AAA CB  1 ? 
ATOM   1070 C  CG  . MET   A 1 149 ? -25.834 13.362 -0.344  1.000 24.929 0 163 MET   AAA CG  1 ? 
ATOM   1071 S  SD  . MET   A 1 149 ? -26.539 13.179 1.308   1.000 28.514 0 163 MET   AAA SD  1 ? 
ATOM   1072 C  CE  . MET   A 1 149 ? -28.080 12.366 0.884   1.000 27.701 0 163 MET   AAA CE  1 ? 
ATOM   1073 N  N   . ASP   A 1 150 ? -25.129 8.903  -0.897  1.000 20.834 0 164 ASP   AAA N   1 ? 
ATOM   1074 C  CA  . ASP   A 1 150 ? -25.182 7.763  -1.800  1.000 23.290 0 164 ASP   AAA CA  1 ? 
ATOM   1075 C  C   . ASP   A 1 150 ? -25.424 8.269  -3.212  1.000 22.332 0 164 ASP   AAA C   1 ? 
ATOM   1076 O  O   . ASP   A 1 150 ? -26.125 9.270  -3.412  1.000 22.619 0 164 ASP   AAA O   1 ? 
ATOM   1077 C  CB  . ASP   A 1 150 ? -26.326 6.811  -1.455  1.000 24.416 0 164 ASP   AAA CB  1 ? 
ATOM   1078 C  CG  . ASP   A 1 150 ? -26.212 6.233  -0.061  1.000 29.377 0 164 ASP   AAA CG  1 ? 
ATOM   1079 O  OD1 . ASP   A 1 150 ? -25.233 5.515  0.181   1.000 27.982 0 164 ASP   AAA OD1 1 ? 
ATOM   1080 O  OD2 . ASP   A 1 150 ? -27.103 6.527  0.758   1.000 31.978 0 164 ASP   AAA OD2 1 ? 
ATOM   1081 N  N   . PRO   A 1 151 ? -24.836 7.628  -4.243  1.000 22.321 0 165 PRO   AAA N   1 ? 
ATOM   1082 C  CA  . PRO   A 1 151 ? -24.892 8.184  -5.589  1.000 22.826 0 165 PRO   AAA CA  1 ? 
ATOM   1083 C  C   . PRO   A 1 151 ? -26.312 8.361  -6.128  1.000 21.195 0 165 PRO   AAA C   1 ? 
ATOM   1084 O  O   . PRO   A 1 151 ? -26.551 9.214  -6.975  1.000 19.655 0 165 PRO   AAA O   1 ? 
ATOM   1085 C  CB  . PRO   A 1 151 ? -24.097 7.186  -6.443  1.000 21.784 0 165 PRO   AAA CB  1 ? 
ATOM   1086 C  CG  . PRO   A 1 151 ? -23.996 5.936  -5.610  1.000 22.445 0 165 PRO   AAA CG  1 ? 
ATOM   1087 C  CD  . PRO   A 1 151 ? -24.015 6.411  -4.170  1.000 24.003 0 165 PRO   AAA CD  1 ? 
ATOM   1088 N  N   . GLN   A 1 152 ? -27.265 7.558  -5.639  1.000 21.150 0 166 GLN   AAA N   1 ? 
ATOM   1089 C  CA  . GLN   A 1 152 ? -28.633 7.646  -6.139  1.000 21.768 0 166 GLN   AAA CA  1 ? 
ATOM   1090 C  C   . GLN   A 1 152 ? -29.271 8.995  -5.787  1.000 19.587 0 166 GLN   AAA C   1 ? 
ATOM   1091 O  O   . GLN   A 1 152 ? -30.187 9.444  -6.455  1.000 17.552 0 166 GLN   AAA O   1 ? 
ATOM   1092 C  CB  . GLN   A 1 152 ? -29.491 6.483  -5.630  1.000 25.608 0 166 GLN   AAA CB  1 ? 
ATOM   1093 C  CG  . GLN   A 1 152 ? -29.366 6.227  -4.138  1.000 28.377 0 166 GLN   AAA CG  1 ? 
ATOM   1094 C  CD  . GLN   A 1 152 ? -28.422 5.094  -3.772  1.000 31.367 0 166 GLN   AAA CD  1 ? 
ATOM   1095 O  OE1 . GLN   A 1 152 ? -27.319 4.962  -4.282  1.000 28.106 0 166 GLN   AAA OE1 1 ? 
ATOM   1096 N  NE2 . GLN   A 1 152 ? -28.878 4.224  -2.890  1.000 35.420 0 166 GLN   AAA NE2 1 ? 
ATOM   1097 N  N   . ALA   A 1 153 ? -28.764 9.678  -4.768  1.000 20.047 0 167 ALA   AAA N   1 ? 
ATOM   1098 C  CA  . ALA   A 1 153 ? -29.252 11.013 -4.423  1.000 21.447 0 167 ALA   AAA CA  1 ? 
ATOM   1099 C  C   . ALA   A 1 153 ? -28.979 12.027 -5.540  1.000 19.995 0 167 ALA   AAA C   1 ? 
ATOM   1100 O  O   . ALA   A 1 153 ? -29.670 13.051 -5.625  1.000 19.379 0 167 ALA   AAA O   1 ? 
ATOM   1101 C  CB  . ALA   A 1 153 ? -28.586 11.440 -3.149  1.000 21.166 0 167 ALA   AAA CB  1 ? 
ATOM   1102 N  N   . CYS   A 1 154 ? -27.983 11.743 -6.404  1.000 19.350 0 168 CYS   AAA N   1 ? 
ATOM   1103 C  CA  . CYS   A 1 154 ? -27.660 12.597 -7.554  1.000 20.481 0 168 CYS   AAA CA  1 ? 
ATOM   1104 C  C   . CYS   A 1 154 ? -28.173 12.055 -8.902  1.000 20.152 0 168 CYS   AAA C   1 ? 
ATOM   1105 O  O   . CYS   A 1 154 ? -27.777 12.529 -9.967  1.000 17.831 0 168 CYS   AAA O   1 ? 
ATOM   1106 C  CB  . CYS   A 1 154 ? -26.150 12.793 -7.661  1.000 20.097 0 168 CYS   AAA CB  1 ? 
ATOM   1107 S  SG  . CYS   A 1 154 ? -25.502 13.988 -6.481  1.000 20.271 0 168 CYS   AAA SG  1 ? 
ATOM   1108 N  N   . SER   A 1 155 ? -29.092 11.078 -8.897  1.000 21.821 0 169 SER   AAA N   1 ? 
ATOM   1109 C  CA  . SER   A 1 155 ? -29.521 10.458 -10.147 1.000 20.066 0 169 SER   AAA CA  1 ? 
ATOM   1110 C  C   . SER   A 1 155 ? -30.108 11.465 -11.129 1.000 18.381 0 169 SER   AAA C   1 ? 
ATOM   1111 O  O   . SER   A 1 155 ? -30.022 11.324 -12.346 1.000 17.986 0 169 SER   AAA O   1 ? 
ATOM   1112 C  CB  . SER   A 1 155 ? -30.544 9.369  -9.874  1.000 19.813 0 169 SER   AAA CB  1 ? 
ATOM   1113 O  OG  . SER   A 1 155 ? -30.895 8.728  -11.096 1.000 19.252 0 169 SER   AAA OG  1 ? 
ATOM   1114 N  N   . HIS   A 1 156 ? -30.808 12.441 -10.573 1.000 19.118 0 172 HIS   AAA N   1 ? 
ATOM   1115 C  CA  . HIS   A 1 156 ? -31.472 13.451 -11.362 1.000 18.958 0 172 HIS   AAA CA  1 ? 
ATOM   1116 C  C   . HIS   A 1 156 ? -30.479 14.236 -12.218 1.000 19.747 0 172 HIS   AAA C   1 ? 
ATOM   1117 O  O   . HIS   A 1 156 ? -30.868 14.816 -13.212 1.000 20.216 0 172 HIS   AAA O   1 ? 
ATOM   1118 C  CB  . HIS   A 1 156 ? -32.333 14.357 -10.481 1.000 18.973 0 172 HIS   AAA CB  1 ? 
ATOM   1119 C  CG  . HIS   A 1 156 ? -31.608 15.016 -9.360  1.000 18.644 0 172 HIS   AAA CG  1 ? 
ATOM   1120 N  ND1 . HIS   A 1 156 ? -31.136 14.365 -8.237  1.000 19.276 0 172 HIS   AAA ND1 1 ? 
ATOM   1121 C  CD2 . HIS   A 1 156 ? -31.275 16.300 -9.225  1.000 20.413 0 172 HIS   AAA CD2 1 ? 
ATOM   1122 C  CE1 . HIS   A 1 156 ? -30.547 15.254 -7.452  1.000 21.108 0 172 HIS   AAA CE1 1 ? 
ATOM   1123 N  NE2 . HIS   A 1 156 ? -30.627 16.450 -8.027  1.000 20.366 0 172 HIS   AAA NE2 1 ? 
ATOM   1124 N  N   . PHE   A 1 157 ? -29.191 14.281 -11.864 1.000 19.631 0 173 PHE   AAA N   1 ? 
ATOM   1125 C  CA  . PHE   A 1 157 ? -28.197 14.786 -12.802 1.000 17.947 0 173 PHE   AAA CA  1 ? 
ATOM   1126 C  C   . PHE   A 1 157 ? -27.867 13.644 -13.771 1.000 21.039 0 173 PHE   AAA C   1 ? 
ATOM   1127 O  O   . PHE   A 1 157 ? -27.162 12.709 -13.403 1.000 18.060 0 173 PHE   AAA O   1 ? 
ATOM   1128 C  CB  . PHE   A 1 157 ? -26.970 15.255 -12.023 1.000 17.542 0 173 PHE   AAA CB  1 ? 
ATOM   1129 C  CG  . PHE   A 1 157 ? -27.206 16.346 -11.017 1.000 16.326 0 173 PHE   AAA CG  1 ? 
ATOM   1130 C  CD1 . PHE   A 1 157 ? -27.528 17.622 -11.441 1.000 17.363 0 173 PHE   AAA CD1 1 ? 
ATOM   1131 C  CD2 . PHE   A 1 157 ? -27.093 16.111 -9.656  1.000 17.739 0 173 PHE   AAA CD2 1 ? 
ATOM   1132 C  CE1 . PHE   A 1 157 ? -27.712 18.644 -10.519 1.000 16.713 0 173 PHE   AAA CE1 1 ? 
ATOM   1133 C  CE2 . PHE   A 1 157 ? -27.261 17.146 -8.734  1.000 17.818 0 173 PHE   AAA CE2 1 ? 
ATOM   1134 C  CZ  . PHE   A 1 157 ? -27.606 18.402 -9.174  1.000 16.697 0 173 PHE   AAA CZ  1 ? 
ATOM   1135 N  N   . ARG   A 1 158 ? -28.410 13.682 -14.999 1.000 22.692 0 174 ARG   AAA N   1 ? 
ATOM   1136 C  CA  . ARG   A 1 158 ? -28.446 12.484 -15.830 1.000 25.166 0 174 ARG   AAA CA  1 ? 
ATOM   1137 C  C   . ARG   A 1 158 ? -27.046 11.989 -16.220 1.000 23.269 0 174 ARG   AAA C   1 ? 
ATOM   1138 O  O   . ARG   A 1 158 ? -26.905 10.826 -16.619 1.000 21.526 0 174 ARG   AAA O   1 ? 
ATOM   1139 C  CB  . ARG   A 1 158 ? -29.224 12.740 -17.123 1.000 27.093 0 174 ARG   AAA CB  1 ? 
ATOM   1140 C  CG  . ARG   A 1 158 ? -30.738 12.703 -16.995 1.000 28.543 0 174 ARG   AAA CG  1 ? 
ATOM   1141 C  CD  . ARG   A 1 158 ? -31.283 11.280 -16.852 1.000 32.241 0 174 ARG   AAA CD  1 ? 
ATOM   1142 N  NE  . ARG   A 1 158 ? -31.730 11.149 -15.487 1.000 29.372 0 174 ARG   AAA NE  1 ? 
ATOM   1143 C  CZ  . ARG   A 1 158 ? -32.302 10.080 -14.948 1.000 33.325 0 174 ARG   AAA CZ  1 ? 
ATOM   1144 N  NH1 . ARG   A 1 158 ? -32.065 8.853  -15.410 1.000 27.153 0 174 ARG   AAA NH1 1 ? 
ATOM   1145 N  NH2 . ARG   A 1 158 ? -33.016 10.263 -13.843 1.000 30.854 0 174 ARG   AAA NH2 1 ? 
ATOM   1146 N  N   . ASP   A 1 159 ? -26.049 12.884 -16.196 1.000 21.913 0 175 ASP   AAA N   1 ? 
ATOM   1147 C  CA  . ASP   A 1 159 ? -24.682 12.540 -16.587 1.000 22.205 0 175 ASP   AAA CA  1 ? 
ATOM   1148 C  C   . ASP   A 1 159 ? -23.755 12.400 -15.379 1.000 21.300 0 175 ASP   AAA C   1 ? 
ATOM   1149 O  O   . ASP   A 1 159 ? -22.544 12.294 -15.543 1.000 22.697 0 175 ASP   AAA O   1 ? 
ATOM   1150 C  CB  . ASP   A 1 159 ? -24.135 13.550 -17.588 1.000 22.311 0 175 ASP   AAA CB  1 ? 
ATOM   1151 C  CG  . ASP   A 1 159 ? -24.877 13.453 -18.909 1.000 24.216 0 175 ASP   AAA CG  1 ? 
ATOM   1152 O  OD1 . ASP   A 1 159 ? -24.997 12.343 -19.426 1.000 24.237 0 175 ASP   AAA OD1 1 ? 
ATOM   1153 O  OD2 . ASP   A 1 159 ? -25.316 14.468 -19.387 1.000 27.438 0 175 ASP   AAA OD2 1 ? 
ATOM   1154 N  N   . PHE   A 1 160 ? -24.330 12.324 -14.181 1.000 19.850 0 176 PHE   AAA N   1 ? 
ATOM   1155 C  CA  . PHE   A 1 160 ? -23.578 11.992 -12.975 1.000 21.379 0 176 PHE   AAA CA  1 ? 
ATOM   1156 C  C   . PHE   A 1 160 ? -23.091 10.541 -13.083 1.000 22.976 0 176 PHE   AAA C   1 ? 
ATOM   1157 O  O   . PHE   A 1 160 ? -23.840 9.660  -13.512 1.000 21.621 0 176 PHE   AAA O   1 ? 
ATOM   1158 C  CB  . PHE   A 1 160 ? -24.443 12.218 -11.728 1.000 20.323 0 176 PHE   AAA CB  1 ? 
ATOM   1159 C  CG  . PHE   A 1 160 ? -23.876 11.653 -10.457 1.000 21.389 0 176 PHE   AAA CG  1 ? 
ATOM   1160 C  CD1 . PHE   A 1 160 ? -22.946 12.357 -9.710  1.000 22.561 0 176 PHE   AAA CD1 1 ? 
ATOM   1161 C  CD2 . PHE   A 1 160 ? -24.247 10.396 -10.017 1.000 22.153 0 176 PHE   AAA CD2 1 ? 
ATOM   1162 C  CE1 . PHE   A 1 160 ? -22.380 11.813 -8.565  1.000 21.453 0 176 PHE   AAA CE1 1 ? 
ATOM   1163 C  CE2 . PHE   A 1 160 ? -23.689 9.860  -8.864  1.000 22.240 0 176 PHE   AAA CE2 1 ? 
ATOM   1164 C  CZ  . PHE   A 1 160 ? -22.753 10.560 -8.142  1.000 22.013 0 176 PHE   AAA CZ  1 ? 
ATOM   1165 N  N   . ASP   A 1 161 ? -21.848 10.296 -12.674 1.000 21.134 0 177 ASP   AAA N   1 ? 
ATOM   1166 C  CA  . ASP   A 1 161 ? -21.287 8.952  -12.646 1.000 23.013 0 177 ASP   AAA CA  1 ? 
ATOM   1167 C  C   . ASP   A 1 161 ? -20.551 8.771  -11.327 1.000 22.816 0 177 ASP   AAA C   1 ? 
ATOM   1168 O  O   . ASP   A 1 161 ? -19.572 9.495  -11.042 1.000 21.587 0 177 ASP   AAA O   1 ? 
ATOM   1169 C  CB  . ASP   A 1 161 ? -20.347 8.717  -13.831 1.000 24.940 0 177 ASP   AAA CB  1 ? 
ATOM   1170 C  CG  . ASP   A 1 161 ? -19.669 7.356  -13.891 1.000 30.556 0 177 ASP   AAA CG  1 ? 
ATOM   1171 O  OD1 . ASP   A 1 161 ? -19.337 6.787  -12.841 1.000 24.563 0 177 ASP   AAA OD1 1 ? 
ATOM   1172 O  OD2 . ASP   A 1 161 ? -19.378 6.922  -15.035 1.000 41.379 0 177 ASP   AAA OD2 1 ? 
ATOM   1173 N  N   . HIS   A 1 162 A -20.988 7.749  -10.590 1.000 21.637 0 177 HIS   AAA N   1 ? 
ATOM   1174 C  CA  . HIS   A 1 162 A -20.523 7.484  -9.235  1.000 22.603 0 177 HIS   AAA CA  1 ? 
ATOM   1175 C  C   . HIS   A 1 162 A -19.016 7.249  -9.185  1.000 24.108 0 177 HIS   AAA C   1 ? 
ATOM   1176 O  O   . HIS   A 1 162 A -18.377 7.599  -8.194  1.000 19.350 0 177 HIS   AAA O   1 ? 
ATOM   1177 C  CB  . HIS   A 1 162 A -21.275 6.309  -8.619  1.000 24.092 0 177 HIS   AAA CB  1 ? 
ATOM   1178 C  CG  . HIS   A 1 162 A -20.730 5.833  -7.317  1.000 23.484 0 177 HIS   AAA CG  1 ? 
ATOM   1179 N  ND1 . HIS   A 1 162 A -20.681 6.607  -6.180  1.000 24.958 0 177 HIS   AAA ND1 1 ? 
ATOM   1180 C  CD2 . HIS   A 1 162 A -20.261 4.618  -6.972  1.000 27.953 0 177 HIS   AAA CD2 1 ? 
ATOM   1181 C  CE1 . HIS   A 1 162 A -20.165 5.893  -5.185  1.000 24.921 0 177 HIS   AAA CE1 1 ? 
ATOM   1182 N  NE2 . HIS   A 1 162 A -19.895 4.683  -5.636  1.000 27.174 0 177 HIS   AAA NE2 1 ? 
ATOM   1183 N  N   . ASN   A 1 163 ? -18.456 6.665  -10.245 1.000 22.790 0 178 ASN   AAA N   1 ? 
ATOM   1184 C  CA  . ASN   A 1 163 ? -17.019 6.439  -10.290 1.000 27.216 0 178 ASN   AAA CA  1 ? 
ATOM   1185 C  C   . ASN   A 1 163 ? -16.203 7.712  -10.475 1.000 24.719 0 178 ASN   AAA C   1 ? 
ATOM   1186 O  O   . ASN   A 1 163 ? -15.055 7.740  -10.048 1.000 26.501 0 178 ASN   AAA O   1 ? 
ATOM   1187 C  CB  . ASN   A 1 163 ? -16.612 5.505  -11.416 1.000 30.306 0 178 ASN   AAA CB  1 ? 
ATOM   1188 C  CG  . ASN   A 1 163 ? -16.427 4.149  -10.812 1.000 41.173 0 178 ASN   AAA CG  1 ? 
ATOM   1189 O  OD1 . ASN   A 1 163 ? -17.410 3.546  -10.387 1.000 41.537 0 178 ASN   AAA OD1 1 ? 
ATOM   1190 N  ND2 . ASN   A 1 163 ? -15.167 3.765  -10.637 1.000 47.087 0 178 ASN   AAA ND2 1 ? 
ATOM   1191 N  N   . LEU   A 1 164 ? -16.768 8.710  -11.155 1.000 22.879 0 179 LEU   AAA N   1 ? 
ATOM   1192 C  CA  . LEU   A 1 164 ? -16.042 9.922  -11.502 1.000 23.695 0 179 LEU   AAA CA  1 ? 
ATOM   1193 C  C   . LEU   A 1 164 ? -16.261 11.019 -10.461 1.000 23.661 0 179 LEU   AAA C   1 ? 
ATOM   1194 O  O   . LEU   A 1 164 ? -15.448 11.952 -10.368 1.000 21.866 0 179 LEU   AAA O   1 ? 
ATOM   1195 C  CB  . LEU   A 1 164 ? -16.531 10.370 -12.886 1.000 24.311 0 179 LEU   AAA CB  1 ? 
ATOM   1196 C  CG  . LEU   A 1 164 ? -16.350 9.348  -14.002 1.000 26.145 0 179 LEU   AAA CG  1 ? 
ATOM   1197 C  CD1 . LEU   A 1 164 ? -16.753 9.931  -15.344 1.000 27.538 0 179 LEU   AAA CD1 1 ? 
ATOM   1198 C  CD2 . LEU   A 1 164 ? -14.922 8.838  -14.057 1.000 27.161 0 179 LEU   AAA CD2 1 ? 
ATOM   1199 N  N   . GLN   A 1 165 ? -17.373 10.927 -9.710  1.000 21.200 0 180 GLN   AAA N   1 ? 
ATOM   1200 C  CA  . GLN   A 1 165 ? -17.922 12.088 -9.009  1.000 19.642 0 180 GLN   AAA CA  1 ? 
ATOM   1201 C  C   . GLN   A 1 165 ? -18.482 11.705 -7.635  1.000 20.568 0 180 GLN   AAA C   1 ? 
ATOM   1202 O  O   . GLN   A 1 165 ? -18.896 10.564 -7.405  1.000 18.447 0 180 GLN   AAA O   1 ? 
ATOM   1203 C  CB  . GLN   A 1 165 ? -19.015 12.742 -9.862  1.000 19.947 0 180 GLN   AAA CB  1 ? 
ATOM   1204 C  CG  . GLN   A 1 165 ? -18.504 13.336 -11.173 1.000 20.329 0 180 GLN   AAA CG  1 ? 
ATOM   1205 C  CD  . GLN   A 1 165 ? -19.559 13.453 -12.245 1.000 20.116 0 180 GLN   AAA CD  1 ? 
ATOM   1206 O  OE1 . GLN   A 1 165 ? -20.409 12.579 -12.418 1.000 21.071 0 180 GLN   AAA OE1 1 ? 
ATOM   1207 N  NE2 . GLN   A 1 165 ? -19.542 14.559 -12.955 1.000 18.444 0 180 GLN   AAA NE2 1 ? 
ATOM   1208 N  N   . LEU   A 1 166 ? -18.441 12.689 -6.717  1.000 19.297 0 181 LEU   AAA N   1 ? 
ATOM   1209 C  CA  . LEU   A 1 166 ? -19.110 12.612 -5.436  1.000 19.597 0 181 LEU   AAA CA  1 ? 
ATOM   1210 C  C   . LEU   A 1 166 ? -20.427 13.360 -5.507  1.000 19.297 0 181 LEU   AAA C   1 ? 
ATOM   1211 O  O   . LEU   A 1 166 ? -20.555 14.363 -6.216  1.000 19.781 0 181 LEU   AAA O   1 ? 
ATOM   1212 C  CB  . LEU   A 1 166 ? -18.252 13.243 -4.342  1.000 20.452 0 181 LEU   AAA CB  1 ? 
ATOM   1213 C  CG  . LEU   A 1 166 ? -16.811 12.737 -4.294  1.000 22.692 0 181 LEU   AAA CG  1 ? 
ATOM   1214 C  CD1 . LEU   A 1 166 ? -15.921 13.624 -3.426  1.000 23.692 0 181 LEU   AAA CD1 1 ? 
ATOM   1215 C  CD2 . LEU   A 1 166 ? -16.797 11.309 -3.806  1.000 22.955 0 181 LEU   AAA CD2 1 ? 
ATOM   1216 N  N   . CYS   A 1 167 ? -21.366 12.833 -4.735  1.000 19.086 0 182 CYS   AAA N   1 ? 
ATOM   1217 C  CA  . CYS   A 1 167 ? -22.674 13.423 -4.528  1.000 19.634 0 182 CYS   AAA CA  1 ? 
ATOM   1218 C  C   . CYS   A 1 167 ? -22.730 14.001 -3.121  1.000 19.644 0 182 CYS   AAA C   1 ? 
ATOM   1219 O  O   . CYS   A 1 167 ? -22.609 13.245 -2.144  1.000 21.747 0 182 CYS   AAA O   1 ? 
ATOM   1220 C  CB  . CYS   A 1 167 ? -23.718 12.335 -4.714  1.000 19.987 0 182 CYS   AAA CB  1 ? 
ATOM   1221 S  SG  . CYS   A 1 167 ? -25.402 12.982 -4.670  1.000 20.645 0 182 CYS   AAA SG  1 ? 
ATOM   1222 N  N   . VAL   A 1 168 ? -22.861 15.337 -3.036  1.000 19.281 0 183 VAL   AAA N   1 ? 
ATOM   1223 C  CA  . VAL   A 1 168 ? -22.509 16.102 -1.843  1.000 18.284 0 183 VAL   AAA CA  1 ? 
ATOM   1224 C  C   . VAL   A 1 168 ? -23.654 17.004 -1.427  1.000 19.000 0 183 VAL   AAA C   1 ? 
ATOM   1225 O  O   . VAL   A 1 168 ? -24.054 17.903 -2.177  1.000 17.642 0 183 VAL   AAA O   1 ? 
ATOM   1226 C  CB  . VAL   A 1 168 ? -21.226 16.914 -2.086  1.000 19.542 0 183 VAL   AAA CB  1 ? 
ATOM   1227 C  CG1 . VAL   A 1 168 ? -20.772 17.726 -0.872  1.000 20.716 0 183 VAL   AAA CG1 1 ? 
ATOM   1228 C  CG2 . VAL   A 1 168 ? -20.112 15.996 -2.572  1.000 20.900 0 183 VAL   AAA CG2 1 ? 
ATOM   1229 N  N   . GLY   A 1 169 ? -24.128 16.779 -0.195  1.000 18.731 0 184 GLY   AAA N   1 ? 
ATOM   1230 C  CA  . GLY   A 1 169 ? -25.033 17.708 0.457   1.000 19.563 0 184 GLY   AAA CA  1 ? 
ATOM   1231 C  C   . GLY   A 1 169 ? -26.429 17.126 0.621   1.000 21.424 0 184 GLY   AAA C   1 ? 
ATOM   1232 O  O   . GLY   A 1 169 ? -27.074 16.772 -0.365  1.000 19.542 0 184 GLY   AAA O   1 ? 
ATOM   1233 N  N   . ASN   A 1 170 ? -26.891 17.088 1.875   1.000 24.866 0 185 ASN   AAA N   1 ? 
ATOM   1234 C  CA  . ASN   A 1 170 ? -28.196 16.539 2.229   1.000 25.256 0 185 ASN   AAA CA  1 ? 
ATOM   1235 C  C   . ASN   A 1 170 ? -29.303 17.375 1.588   1.000 24.966 0 185 ASN   AAA C   1 ? 
ATOM   1236 O  O   . ASN   A 1 170 ? -29.366 18.596 1.808   1.000 24.237 0 185 ASN   AAA O   1 ? 
ATOM   1237 C  CB  . ASN   A 1 170 ? -28.360 16.528 3.755   1.000 27.688 0 185 ASN   AAA CB  1 ? 
ATOM   1238 C  CG  . ASN   A 1 170 ? -29.619 15.853 4.275   1.000 30.351 0 185 ASN   AAA CG  1 ? 
ATOM   1239 O  OD1 . ASN   A 1 170 ? -30.514 15.466 3.524   1.000 27.103 0 185 ASN   AAA OD1 1 ? 
ATOM   1240 N  ND2 . ASN   A 1 170 ? -29.684 15.698 5.586   1.000 31.325 0 185 ASN   AAA ND2 1 ? 
ATOM   1241 N  N   . PRO   A 1 171 A -30.218 16.758 0.795   1.000 27.582 0 185 PRO   AAA N   1 ? 
ATOM   1242 C  CA  . PRO   A 1 171 A -31.297 17.502 0.138   1.000 27.382 0 185 PRO   AAA CA  1 ? 
ATOM   1243 C  C   . PRO   A 1 171 A -32.301 18.121 1.107   1.000 30.096 0 185 PRO   AAA C   1 ? 
ATOM   1244 O  O   . PRO   A 1 171 A -33.076 18.992 0.718   1.000 27.764 0 185 PRO   AAA O   1 ? 
ATOM   1245 C  CB  . PRO   A 1 171 A -31.997 16.461 -0.753  1.000 28.730 0 185 PRO   AAA CB  1 ? 
ATOM   1246 C  CG  . PRO   A 1 171 A -31.649 15.126 -0.127  1.000 30.585 0 185 PRO   AAA CG  1 ? 
ATOM   1247 C  CD  . PRO   A 1 171 A -30.244 15.329 0.439   1.000 29.080 0 185 PRO   AAA CD  1 ? 
ATOM   1248 N  N   . ARG   A 1 172 B -32.257 17.696 2.378   1.000 32.383 0 185 ARG   AAA N   1 ? 
ATOM   1249 C  CA  . ARG   A 1 172 B -33.142 18.239 3.397   1.000 33.104 0 185 ARG   AAA CA  1 ? 
ATOM   1250 C  C   . ARG   A 1 172 B -32.622 19.535 4.007   1.000 32.901 0 185 ARG   AAA C   1 ? 
ATOM   1251 O  O   . ARG   A 1 172 B -33.354 20.153 4.761   1.000 37.465 0 185 ARG   AAA O   1 ? 
ATOM   1252 C  CB  . ARG   A 1 172 B -33.367 17.207 4.506   1.000 34.301 0 185 ARG   AAA CB  1 ? 
ATOM   1253 C  CG  . ARG   A 1 172 B -34.729 16.534 4.436   1.000 35.994 0 185 ARG   AAA CG  1 ? 
ATOM   1254 C  CD  . ARG   A 1 172 B -34.896 15.627 5.643   1.000 41.326 0 185 ARG   AAA CD  1 ? 
ATOM   1255 N  NE  . ARG   A 1 172 B -36.146 15.816 6.358   1.000 41.239 0 185 ARG   AAA NE  1 ? 
ATOM   1256 C  CZ  . ARG   A 1 172 B -36.219 16.139 7.637   1.000 42.276 0 185 ARG   AAA CZ  1 ? 
ATOM   1257 N  NH1 . ARG   A 1 172 B -35.120 16.119 8.378   1.000 48.027 0 185 ARG   AAA NH1 1 ? 
ATOM   1258 N  NH2 . ARG   A 1 172 B -37.383 16.473 8.175   1.000 40.802 0 185 ARG   AAA NH2 1 ? 
ATOM   1259 N  N   . LYS   A 1 173 ? -31.357 19.902 3.759   1.000 32.907 0 186 LYS   AAA N   1 ? 
ATOM   1260 C  CA  . LYS   A 1 173 ? -30.766 21.133 4.262   1.000 34.315 0 186 LYS   AAA CA  1 ? 
ATOM   1261 C  C   . LYS   A 1 173 ? -30.588 22.089 3.077   1.000 33.975 0 186 LYS   AAA C   1 ? 
ATOM   1262 O  O   . LYS   A 1 173 ? -30.644 21.655 1.932   1.000 31.912 0 186 LYS   AAA O   1 ? 
ATOM   1263 C  CB  . LYS   A 1 173 ? -29.405 20.854 4.914   1.000 38.426 0 186 LYS   AAA CB  1 ? 
ATOM   1264 C  CG  . LYS   A 1 173 ? -29.355 19.687 5.885   1.000 42.366 0 186 LYS   AAA CG  1 ? 
ATOM   1265 C  CD  . LYS   A 1 173 ? -29.926 20.039 7.233   1.000 46.645 0 186 LYS   AAA CD  1 ? 
ATOM   1266 C  CE  . LYS   A 1 173 ? -30.194 18.836 8.112   1.000 51.359 0 186 LYS   AAA CE  1 ? 
ATOM   1267 N  NZ  . LYS   A 1 173 ? -31.046 19.184 9.275   1.000 49.566 0 186 LYS   AAA NZ  1 ? 
ATOM   1268 N  N   . THR   A 1 174 ? -30.385 23.386 3.342   1.000 34.846 0 187 THR   AAA N   1 ? 
ATOM   1269 C  CA  . THR   A 1 174 ? -30.175 24.355 2.270   1.000 36.252 0 187 THR   AAA CA  1 ? 
ATOM   1270 C  C   . THR   A 1 174 ? -28.677 24.569 2.042   1.000 35.212 0 187 THR   AAA C   1 ? 
ATOM   1271 O  O   . THR   A 1 174 ? -28.284 25.202 1.061   1.000 39.584 0 187 THR   AAA O   1 ? 
ATOM   1272 C  CB  . THR   A 1 174 ? -30.944 25.660 2.523   1.000 38.302 0 187 THR   AAA CB  1 ? 
ATOM   1273 O  OG1 . THR   A 1 174 ? -30.409 26.307 3.672   1.000 41.350 0 187 THR   AAA OG1 1 ? 
ATOM   1274 C  CG2 . THR   A 1 174 ? -32.426 25.427 2.726   1.000 40.157 0 187 THR   AAA CG2 1 ? 
ATOM   1275 N  N   . LYS   A 1 175 ? -27.853 23.979 2.914   1.000 30.185 0 188 LYS   AAA N   1 ? 
ATOM   1276 C  CA  . LYS   A 1 175 ? -26.413 24.129 2.867   1.000 30.917 0 188 LYS   AAA CA  1 ? 
ATOM   1277 C  C   . LYS   A 1 175 ? -25.861 23.609 1.542   1.000 29.827 0 188 LYS   AAA C   1 ? 
ATOM   1278 O  O   . LYS   A 1 175 ? -26.213 22.512 1.117   1.000 25.556 0 188 LYS   AAA O   1 ? 
ATOM   1279 C  CB  . LYS   A 1 175 ? -25.779 23.309 3.990   1.000 33.072 0 188 LYS   AAA CB  1 ? 
ATOM   1280 C  CG  . LYS   A 1 175 ? -25.986 23.855 5.387   1.000 38.618 0 188 LYS   AAA CG  1 ? 
ATOM   1281 C  CD  . LYS   A 1 175 ? -25.259 23.022 6.409   1.000 44.216 0 188 LYS   AAA CD  1 ? 
ATOM   1282 C  CE  . LYS   A 1 175 ? -24.686 23.825 7.558   1.000 52.093 0 188 LYS   AAA CE  1 ? 
ATOM   1283 N  NZ  . LYS   A 1 175 ? -25.735 24.357 8.456   1.000 56.341 0 188 LYS   AAA NZ  1 ? 
ATOM   1284 N  N   . SER   A 1 176 ? -24.908 24.337 0.959   1.000 27.585 0 189 SER   AAA N   1 ? 
ATOM   1285 C  CA  . SER   A 1 176 ? -24.431 23.991 -0.369  1.000 29.246 0 189 SER   AAA CA  1 ? 
ATOM   1286 C  C   . SER   A 1 176 ? -23.330 24.960 -0.803  1.000 28.101 0 189 SER   AAA C   1 ? 
ATOM   1287 O  O   . SER   A 1 176 ? -23.348 26.137 -0.455  1.000 28.080 0 189 SER   AAA O   1 ? 
ATOM   1288 C  CB  . SER   A 1 176 ? -25.633 24.027 -1.332  1.000 31.922 0 189 SER   AAA CB  1 ? 
ATOM   1289 O  OG  . SER   A 1 176 ? -25.264 23.767 -2.670  1.000 34.694 0 189 SER   AAA OG  1 ? 
ATOM   1290 N  N   . ALA   A 1 177 ? -22.384 24.458 -1.603  1.000 26.577 0 190 ALA   AAA N   1 ? 
ATOM   1291 C  CA  . ALA   A 1 177 ? -21.598 25.310 -2.485  1.000 23.882 0 190 ALA   AAA CA  1 ? 
ATOM   1292 C  C   . ALA   A 1 177 ? -22.500 25.840 -3.603  1.000 24.835 0 190 ALA   AAA C   1 ? 
ATOM   1293 O  O   . ALA   A 1 177 ? -23.556 25.265 -3.879  1.000 28.127 0 190 ALA   AAA O   1 ? 
ATOM   1294 C  CB  . ALA   A 1 177 ? -20.422 24.529 -3.023  1.000 24.419 0 190 ALA   AAA CB  1 ? 
ATOM   1295 N  N   . PHE   A 1 178 ? -22.092 26.950 -4.220  1.000 23.332 0 191 PHE   AAA N   1 ? 
ATOM   1296 C  CA  . PHE   A 1 178 ? -22.867 27.593 -5.273  1.000 24.961 0 191 PHE   AAA CA  1 ? 
ATOM   1297 C  C   . PHE   A 1 178 ? -21.930 28.393 -6.181  1.000 25.927 0 191 PHE   AAA C   1 ? 
ATOM   1298 O  O   . PHE   A 1 178 ? -20.714 28.217 -6.153  1.000 23.048 0 191 PHE   AAA O   1 ? 
ATOM   1299 C  CB  . PHE   A 1 178 ? -23.983 28.452 -4.659  1.000 25.535 0 191 PHE   AAA CB  1 ? 
ATOM   1300 C  CG  . PHE   A 1 178 ? -25.084 28.840 -5.618  1.000 28.280 0 191 PHE   AAA CG  1 ? 
ATOM   1301 C  CD1 . PHE   A 1 178 ? -25.739 27.879 -6.374  1.000 28.232 0 191 PHE   AAA CD1 1 ? 
ATOM   1302 C  CD2 . PHE   A 1 178 ? -25.437 30.170 -5.799  1.000 31.727 0 191 PHE   AAA CD2 1 ? 
ATOM   1303 C  CE1 . PHE   A 1 178 ? -26.739 28.239 -7.266  1.000 30.812 0 191 PHE   AAA CE1 1 ? 
ATOM   1304 C  CE2 . PHE   A 1 178 ? -26.432 30.530 -6.696  1.000 32.801 0 191 PHE   AAA CE2 1 ? 
ATOM   1305 C  CZ  . PHE   A 1 178 ? -27.082 29.563 -7.430  1.000 33.415 0 191 PHE   AAA CZ  1 ? 
ATOM   1306 N  N   . LYS   A 1 179 ? -22.497 29.270 -7.015  1.000 25.082 0 192 LYS   AAA N   1 ? 
ATOM   1307 C  CA  . LYS   A 1 179 ? -21.745 29.919 -8.060  1.000 25.677 0 192 LYS   AAA CA  1 ? 
ATOM   1308 C  C   . LYS   A 1 179 ? -20.603 30.682 -7.408  1.000 26.635 0 192 LYS   AAA C   1 ? 
ATOM   1309 O  O   . LYS   A 1 179 ? -20.826 31.410 -6.429  1.000 24.427 0 192 LYS   AAA O   1 ? 
ATOM   1310 C  CB  . LYS   A 1 179 ? -22.620 30.918 -8.833  1.000 30.754 0 192 LYS   AAA CB  1 ? 
ATOM   1311 C  CG  . LYS   A 1 179 ? -23.832 30.353 -9.567  1.000 35.170 0 192 LYS   AAA CG  1 ? 
ATOM   1312 C  CD  . LYS   A 1 179 ? -24.661 31.458 -10.223 1.000 41.126 0 192 LYS   AAA CD  1 ? 
ATOM   1313 C  CE  . LYS   A 1 179 ? -25.891 30.975 -10.958 1.000 41.684 0 192 LYS   AAA CE  1 ? 
ATOM   1314 N  NZ  . LYS   A 1 179 ? -25.542 30.495 -12.309 1.000 43.474 0 192 LYS   AAA NZ  1 ? 
ATOM   1315 N  N   . GLY   A 1 180 ? -19.416 30.547 -8.006  1.000 22.574 0 193 GLY   AAA N   1 ? 
ATOM   1316 C  CA  . GLY   A 1 180 ? -18.208 31.198 -7.523  1.000 22.992 0 193 GLY   AAA CA  1 ? 
ATOM   1317 C  C   . GLY   A 1 180 ? -17.338 30.285 -6.649  1.000 22.629 0 193 GLY   AAA C   1 ? 
ATOM   1318 O  O   . GLY   A 1 180 ? -16.160 30.590 -6.401  1.000 21.321 0 193 GLY   AAA O   1 ? 
ATOM   1319 N  N   . ASP   A 1 181 ? -17.924 29.169 -6.195  1.000 20.071 0 194 ASP   AAA N   1 ? 
ATOM   1320 C  CA  . ASP   A 1 181 ? -17.243 28.192 -5.351  1.000 19.231 0 194 ASP   AAA CA  1 ? 
ATOM   1321 C  C   . ASP   A 1 181 ? -16.585 27.067 -6.175  1.000 17.668 0 194 ASP   AAA C   1 ? 
ATOM   1322 O  O   . ASP   A 1 181 ? -15.804 26.288 -5.637  1.000 16.376 0 194 ASP   AAA O   1 ? 
ATOM   1323 C  CB  . ASP   A 1 181 ? -18.244 27.594 -4.364  1.000 20.397 0 194 ASP   AAA CB  1 ? 
ATOM   1324 C  CG  . ASP   A 1 181 ? -18.768 28.561 -3.307  1.000 22.821 0 194 ASP   AAA CG  1 ? 
ATOM   1325 O  OD1 . ASP   A 1 181 ? -17.961 29.357 -2.762  1.000 22.740 0 194 ASP   AAA OD1 1 ? 
ATOM   1326 O  OD2 . ASP   A 1 181 ? -19.963 28.440 -2.964  1.000 22.811 0 194 ASP   AAA OD2 1 ? 
ATOM   1327 N  N   . SER   A 1 182 ? -16.984 26.939 -7.447  1.000 18.155 0 195 SER   AAA N   1 ? 
ATOM   1328 C  CA  . SER   A 1 182 ? -16.338 26.140 -8.477  1.000 19.281 0 195 SER   AAA CA  1 ? 
ATOM   1329 C  C   . SER   A 1 182 ? -14.853 26.026 -8.260  1.000 18.894 0 195 SER   AAA C   1 ? 
ATOM   1330 O  O   . SER   A 1 182 ? -14.196 27.061 -8.084  1.000 19.821 0 195 SER   AAA O   1 ? 
ATOM   1331 C  CB  . SER   A 1 182 ? -16.505 26.798 -9.818  1.000 22.940 0 195 SER   AAA CB  1 ? 
ATOM   1332 O  OG  . SER   A 1 182 ? -17.829 26.721 -10.240 1.000 23.879 0 195 SER   AAA OG  1 ? 
ATOM   1333 N  N   . GLY   A 1 183 ? -14.342 24.778 -8.354  1.000 18.094 0 196 GLY   AAA N   1 ? 
ATOM   1334 C  CA  . GLY   A 1 183 ? -12.911 24.523 -8.326  1.000 16.549 0 196 GLY   AAA CA  1 ? 
ATOM   1335 C  C   . GLY   A 1 183 ? -12.324 24.395 -6.921  1.000 16.247 0 196 GLY   AAA C   1 ? 
ATOM   1336 O  O   . GLY   A 1 183 ? -11.203 23.943 -6.749  1.000 17.355 0 196 GLY   AAA O   1 ? 
ATOM   1337 N  N   . GLY   A 1 184 ? -13.033 24.829 -5.879  1.000 18.379 0 197 GLY   AAA N   1 ? 
ATOM   1338 C  CA  . GLY   A 1 184 ? -12.511 24.654 -4.525  1.000 20.273 0 197 GLY   AAA CA  1 ? 
ATOM   1339 C  C   . GLY   A 1 184 ? -12.540 23.200 -4.051  1.000 19.952 0 197 GLY   AAA C   1 ? 
ATOM   1340 O  O   . GLY   A 1 184 ? -13.293 22.366 -4.567  1.000 19.881 0 197 GLY   AAA O   1 ? 
ATOM   1341 N  N   . PRO   A 1 185 ? -11.704 22.848 -3.053  1.000 19.318 0 198 PRO   AAA N   1 ? 
ATOM   1342 C  CA  . PRO   A 1 185 ? -11.687 21.501 -2.486  1.000 20.218 0 198 PRO   AAA CA  1 ? 
ATOM   1343 C  C   . PRO   A 1 185 ? -12.792 21.202 -1.468  1.000 21.142 0 198 PRO   AAA C   1 ? 
ATOM   1344 O  O   . PRO   A 1 185 ? -13.222 22.079 -0.702  1.000 23.003 0 198 PRO   AAA O   1 ? 
ATOM   1345 C  CB  . PRO   A 1 185 ? -10.293 21.470 -1.856  1.000 20.384 0 198 PRO   AAA CB  1 ? 
ATOM   1346 C  CG  . PRO   A 1 185 ? -10.107 22.890 -1.344  1.000 20.900 0 198 PRO   AAA CG  1 ? 
ATOM   1347 C  CD  . PRO   A 1 185 ? -10.739 23.746 -2.410  1.000 19.676 0 198 PRO   AAA CD  1 ? 
ATOM   1348 N  N   . LEU   A 1 186 ? -13.321 19.974 -1.558  1.000 20.610 0 199 LEU   AAA N   1 ? 
ATOM   1349 C  CA  . LEU   A 1 186 ? -14.089 19.335 -0.498  1.000 20.176 0 199 LEU   AAA CA  1 ? 
ATOM   1350 C  C   . LEU   A 1 186 ? -13.121 18.484 0.321   1.000 21.824 0 199 LEU   AAA C   1 ? 
ATOM   1351 O  O   . LEU   A 1 186 ? -12.417 17.628 -0.225  1.000 22.066 0 199 LEU   AAA O   1 ? 
ATOM   1352 C  CB  . LEU   A 1 186 ? -15.206 18.480 -1.110  1.000 21.103 0 199 LEU   AAA CB  1 ? 
ATOM   1353 C  CG  . LEU   A 1 186 ? -16.112 17.753 -0.101  1.000 20.542 0 199 LEU   AAA CG  1 ? 
ATOM   1354 C  CD1 . LEU   A 1 186 ? -17.161 18.685 0.502   1.000 20.334 0 199 LEU   AAA CD1 1 ? 
ATOM   1355 C  CD2 . LEU   A 1 186 ? -16.794 16.576 -0.750  1.000 21.013 0 199 LEU   AAA CD2 1 ? 
ATOM   1356 N  N   . LEU   A 1 187 ? -13.007 18.790 1.613   1.000 23.029 0 200 LEU   AAA N   1 ? 
ATOM   1357 C  CA  . LEU   A 1 187 ? -12.123 18.029 2.477   1.000 24.408 0 200 LEU   AAA CA  1 ? 
ATOM   1358 C  C   . LEU   A 1 187 ? -12.975 17.143 3.368   1.000 26.964 0 200 LEU   AAA C   1 ? 
ATOM   1359 O  O   . LEU   A 1 187 ? -14.006 17.588 3.869   1.000 26.066 0 200 LEU   AAA O   1 ? 
ATOM   1360 C  CB  . LEU   A 1 187 ? -11.252 18.966 3.310   1.000 24.269 0 200 LEU   AAA CB  1 ? 
ATOM   1361 C  CG  . LEU   A 1 187 ? -10.123 19.679 2.562   1.000 24.619 0 200 LEU   AAA CG  1 ? 
ATOM   1362 C  CD1 . LEU   A 1 187 ? -10.632 20.936 1.890   1.000 25.529 0 200 LEU   AAA CD1 1 ? 
ATOM   1363 C  CD2 . LEU   A 1 187 ? -8.995  20.023 3.516   1.000 26.214 0 200 LEU   AAA CD2 1 ? 
ATOM   1364 N  N   . CYS   A 1 188 ? -12.514 15.897 3.531   1.000 28.782 0 201 CYS   AAA N   1 ? 
ATOM   1365 C  CA  . CYS   A 1 188 ? -13.119 14.908 4.410   1.000 30.459 0 201 CYS   AAA CA  1 ? 
ATOM   1366 C  C   . CYS   A 1 188 ? -12.007 14.418 5.338   1.000 33.415 0 201 CYS   AAA C   1 ? 
ATOM   1367 O  O   . CYS   A 1 188 ? -10.978 13.951 4.856   1.000 28.838 0 201 CYS   AAA O   1 ? 
ATOM   1368 C  CB  . CYS   A 1 188 ? -13.710 13.743 3.628   1.000 31.235 0 201 CYS   AAA CB  1 ? 
ATOM   1369 S  SG  . CYS   A 1 188 ? -14.781 14.228 2.244   1.000 28.777 0 201 CYS   AAA SG  1 ? 
ATOM   1370 N  N   . ALA   A 1 189 ? -12.167 14.684 6.643   1.000 36.973 0 202 ALA   AAA N   1 ? 
ATOM   1371 C  CA  . ALA   A 1 189 ? -11.160 14.365 7.653   1.000 41.187 0 202 ALA   AAA CA  1 ? 
ATOM   1372 C  C   . ALA   A 1 189 ? -9.797  14.975 7.312   1.000 41.552 0 202 ALA   AAA C   1 ? 
ATOM   1373 O  O   . ALA   A 1 189 ? -8.772  14.347 7.527   1.000 46.795 0 202 ALA   AAA O   1 ? 
ATOM   1374 C  CB  . ALA   A 1 189 ? -11.068 12.860 7.797   1.000 41.197 0 202 ALA   AAA CB  1 ? 
ATOM   1375 N  N   . GLY   A 1 190 ? -9.786  16.193 6.758   1.000 39.055 0 207 GLY   AAA N   1 ? 
ATOM   1376 C  CA  . GLY   A 1 190 ? -8.550  16.916 6.506   1.000 38.613 0 207 GLY   AAA CA  1 ? 
ATOM   1377 C  C   . GLY   A 1 190 ? -7.863  16.590 5.176   1.000 37.423 0 207 GLY   AAA C   1 ? 
ATOM   1378 O  O   . GLY   A 1 190 ? -6.795  17.149 4.894   1.000 37.039 0 207 GLY   AAA O   1 ? 
ATOM   1379 N  N   . ALA   A 1 191 ? -8.451  15.704 4.353   1.000 32.385 0 208 ALA   AAA N   1 ? 
ATOM   1380 C  CA  . ALA   A 1 191 ? -7.869  15.374 3.058   1.000 31.951 0 208 ALA   AAA CA  1 ? 
ATOM   1381 C  C   . ALA   A 1 191 ? -8.822  15.784 1.940   1.000 28.353 0 208 ALA   AAA C   1 ? 
ATOM   1382 O  O   . ALA   A 1 191 ? -10.018 15.523 2.010   1.000 30.851 0 208 ALA   AAA O   1 ? 
ATOM   1383 C  CB  . ALA   A 1 191 ? -7.568  13.891 2.975   1.000 32.517 0 208 ALA   AAA CB  1 ? 
ATOM   1384 N  N   . ALA   A 1 192 ? -8.262  16.377 0.892   1.000 27.095 0 209 ALA   AAA N   1 ? 
ATOM   1385 C  CA  . ALA   A 1 192 ? -9.018  16.740 -0.292  1.000 27.906 0 209 ALA   AAA CA  1 ? 
ATOM   1386 C  C   . ALA   A 1 192 ? -9.544  15.485 -0.981  1.000 27.585 0 209 ALA   AAA C   1 ? 
ATOM   1387 O  O   . ALA   A 1 192 ? -8.765  14.584 -1.290  1.000 29.269 0 209 ALA   AAA O   1 ? 
ATOM   1388 C  CB  . ALA   A 1 192 ? -8.128  17.536 -1.219  1.000 27.061 0 209 ALA   AAA CB  1 ? 
ATOM   1389 N  N   . GLN   A 1 193 ? -10.856 15.442 -1.239  1.000 26.369 0 210 GLN   AAA N   1 ? 
ATOM   1390 C  CA  . GLN   A 1 193 ? -11.492 14.300 -1.892  1.000 25.874 0 210 GLN   AAA CA  1 ? 
ATOM   1391 C  C   . GLN   A 1 193 ? -12.331 14.729 -3.095  1.000 22.403 0 210 GLN   AAA C   1 ? 
ATOM   1392 O  O   . GLN   A 1 193 ? -12.580 13.931 -4.015  1.000 21.200 0 210 GLN   AAA O   1 ? 
ATOM   1393 C  CB  . GLN   A 1 193 ? -12.417 13.528 -0.943  1.000 27.514 0 210 GLN   AAA CB  1 ? 
ATOM   1394 C  CG  . GLN   A 1 193 ? -11.722 12.886 0.247   1.000 34.570 0 210 GLN   AAA CG  1 ? 
ATOM   1395 C  CD  . GLN   A 1 193 ? -10.586 11.971 -0.138  1.000 43.179 0 210 GLN   AAA CD  1 ? 
ATOM   1396 O  OE1 . GLN   A 1 193 ? -10.406 11.599 -1.300  1.000 43.055 0 210 GLN   AAA OE1 1 ? 
ATOM   1397 N  NE2 . GLN   A 1 193 ? -9.767  11.637 0.848   1.000 48.458 0 210 GLN   AAA NE2 1 ? 
ATOM   1398 N  N   . GLY   A 1 194 ? -12.759 15.983 -3.092  1.000 19.716 0 211 GLY   AAA N   1 ? 
ATOM   1399 C  CA  . GLY   A 1 194 ? -13.573 16.475 -4.186  1.000 19.344 0 211 GLY   AAA CA  1 ? 
ATOM   1400 C  C   . GLY   A 1 194 ? -13.179 17.868 -4.641  1.000 19.584 0 211 GLY   AAA C   1 ? 
ATOM   1401 O  O   . GLY   A 1 194 ? -12.499 18.607 -3.909  1.000 18.397 0 211 GLY   AAA O   1 ? 
ATOM   1402 N  N   . ILE   A 1 195 ? -13.685 18.213 -5.830  1.000 18.900 0 212 ILE   AAA N   1 ? 
ATOM   1403 C  CA  . ILE   A 1 195 ? -13.619 19.565 -6.373  1.000 19.305 0 212 ILE   AAA CA  1 ? 
ATOM   1404 C  C   . ILE   A 1 195 ? -15.041 19.988 -6.747  1.000 17.542 0 212 ILE   AAA C   1 ? 
ATOM   1405 O  O   . ILE   A 1 195 ? -15.742 19.284 -7.479  1.000 17.610 0 212 ILE   AAA O   1 ? 
ATOM   1406 C  CB  . ILE   A 1 195 ? -12.655 19.635 -7.576  1.000 20.076 0 212 ILE   AAA CB  1 ? 
ATOM   1407 C  CG1 . ILE   A 1 195 ? -11.264 19.107 -7.239  1.000 20.976 0 212 ILE   AAA CG1 1 ? 
ATOM   1408 C  CG2 . ILE   A 1 195 ? -12.560 21.048 -8.156  1.000 20.692 0 212 ILE   AAA CG2 1 ? 
ATOM   1409 C  CD1 . ILE   A 1 195 ? -10.409 18.872 -8.448  1.000 21.218 0 212 ILE   AAA CD1 1 ? 
ATOM   1410 N  N   . VAL   A 1 196 ? -15.445 21.165 -6.280  1.000 16.581 0 213 VAL   AAA N   1 ? 
ATOM   1411 C  CA  . VAL   A 1 196 ? -16.740 21.714 -6.605  1.000 16.773 0 213 VAL   AAA CA  1 ? 
ATOM   1412 C  C   . VAL   A 1 196 ? -16.858 21.788 -8.128  1.000 16.715 0 213 VAL   AAA C   1 ? 
ATOM   1413 O  O   . VAL   A 1 196 ? -16.023 22.430 -8.778  1.000 16.665 0 213 VAL   AAA O   1 ? 
ATOM   1414 C  CB  . VAL   A 1 196 ? -16.946 23.099 -5.959  1.000 18.805 0 213 VAL   AAA CB  1 ? 
ATOM   1415 C  CG1 . VAL   A 1 196 ? -18.313 23.671 -6.308  1.000 18.092 0 213 VAL   AAA CG1 1 ? 
ATOM   1416 C  CG2 . VAL   A 1 196 ? -16.746 23.090 -4.449  1.000 18.571 0 213 VAL   AAA CG2 1 ? 
ATOM   1417 N  N   . SER   A 1 197 ? -17.924 21.164 -8.678  1.000 14.673 0 214 SER   AAA N   1 ? 
ATOM   1418 C  CA  . SER   A 1 197 ? -18.141 21.097 -10.115 1.000 15.494 0 214 SER   AAA CA  1 ? 
ATOM   1419 C  C   . SER   A 1 197 ? -19.472 21.728 -10.536 1.000 16.326 0 214 SER   AAA C   1 ? 
ATOM   1420 O  O   . SER   A 1 197 ? -19.448 22.767 -11.167 1.000 16.176 0 214 SER   AAA O   1 ? 
ATOM   1421 C  CB  . SER   A 1 197 ? -18.046 19.686 -10.619 1.000 15.294 0 214 SER   AAA CB  1 ? 
ATOM   1422 O  OG  . SER   A 1 197 ? -18.303 19.676 -12.024 1.000 14.212 0 214 SER   AAA OG  1 ? 
ATOM   1423 N  N   . TYR   A 1 198 ? -20.627 21.138 -10.194 1.000 16.436 0 215 TYR   AAA N   1 ? 
ATOM   1424 C  CA  . TYR   A 1 198 ? -21.884 21.732 -10.649 1.000 16.978 0 215 TYR   AAA CA  1 ? 
ATOM   1425 C  C   . TYR   A 1 198 ? -23.073 21.331 -9.783  1.000 17.426 0 215 TYR   AAA C   1 ? 
ATOM   1426 O  O   . TYR   A 1 198 ? -23.025 20.389 -9.005  1.000 18.534 0 215 TYR   AAA O   1 ? 
ATOM   1427 C  CB  . TYR   A 1 198 ? -22.183 21.365 -12.112 1.000 17.860 0 215 TYR   AAA CB  1 ? 
ATOM   1428 C  CG  . TYR   A 1 198 ? -22.537 19.925 -12.418 1.000 17.497 0 215 TYR   AAA CG  1 ? 
ATOM   1429 C  CD1 . TYR   A 1 198 ? -23.841 19.454 -12.324 1.000 17.989 0 215 TYR   AAA CD1 1 ? 
ATOM   1430 C  CD2 . TYR   A 1 198 ? -21.568 19.024 -12.872 1.000 18.357 0 215 TYR   AAA CD2 1 ? 
ATOM   1431 C  CE1 . TYR   A 1 198 ? -24.176 18.134 -12.644 1.000 18.260 0 215 TYR   AAA CE1 1 ? 
ATOM   1432 C  CE2 . TYR   A 1 198 ? -21.886 17.720 -13.215 1.000 17.897 0 215 TYR   AAA CE2 1 ? 
ATOM   1433 C  CZ  . TYR   A 1 198 ? -23.193 17.265 -13.097 1.000 18.860 0 215 TYR   AAA CZ  1 ? 
ATOM   1434 O  OH  . TYR   A 1 198 ? -23.466 15.940 -13.421 1.000 19.952 0 215 TYR   AAA OH  1 ? 
ATOM   1435 N  N   . GLY   A 1 199 ? -24.171 22.051 -9.972  1.000 18.207 0 216 GLY   AAA N   1 ? 
ATOM   1436 C  CA  . GLY   A 1 199 ? -25.450 21.655 -9.419  1.000 19.094 0 216 GLY   AAA CA  1 ? 
ATOM   1437 C  C   . GLY   A 1 199 ? -26.605 22.425 -10.061 1.000 19.252 0 216 GLY   AAA C   1 ? 
ATOM   1438 O  O   . GLY   A 1 199 ? -26.482 22.981 -11.158 1.000 22.290 0 216 GLY   AAA O   1 ? 
ATOM   1439 N  N   . ARG   A 1 200 ? -27.698 22.467 -9.301  1.000 19.787 0 217 ARG   AAA N   1 ? 
ATOM   1440 C  CA  . ARG   A 1 200 ? -28.935 23.121 -9.774  1.000 21.705 0 217 ARG   AAA CA  1 ? 
ATOM   1441 C  C   . ARG   A 1 200 ? -28.872 24.640 -9.650  1.000 22.061 0 217 ARG   AAA C   1 ? 
ATOM   1442 O  O   . ARG   A 1 200 ? -28.294 25.141 -8.687  1.000 21.616 0 217 ARG   AAA O   1 ? 
ATOM   1443 C  CB  . ARG   A 1 200 ? -30.112 22.610 -8.940  1.000 20.292 0 217 ARG   AAA CB  1 ? 
ATOM   1444 C  CG  . ARG   A 1 200 ? -30.460 21.147 -9.165  1.000 22.671 0 217 ARG   AAA CG  1 ? 
ATOM   1445 C  CD  . ARG   A 1 200 ? -31.655 20.729 -8.331  1.000 23.455 0 217 ARG   AAA CD  1 ? 
ATOM   1446 N  NE  . ARG   A 1 200 ? -32.791 21.623 -8.495  1.000 24.171 0 217 ARG   AAA NE  1 ? 
ATOM   1447 C  CZ  . ARG   A 1 200 ? -33.917 21.296 -9.116  1.000 25.419 0 217 ARG   AAA CZ  1 ? 
ATOM   1448 N  NH1 . ARG   A 1 200 ? -33.989 20.173 -9.807  1.000 24.274 0 217 ARG   AAA NH1 1 ? 
ATOM   1449 N  NH2 . ARG   A 1 200 ? -34.966 22.095 -9.049  1.000 25.166 0 217 ARG   AAA NH2 1 ? 
ATOM   1450 N  N   . SER   A 1 201 ? -29.508 25.313 -10.597 1.000 25.016 0 218 SER   AAA N   1 ? 
ATOM   1451 C  CA  . SER   A 1 201 ? -29.588 26.769 -10.581 1.000 27.180 0 218 SER   AAA CA  1 ? 
ATOM   1452 C  C   . SER   A 1 201 ? -30.290 27.312 -9.331  1.000 26.427 0 218 SER   AAA C   1 ? 
ATOM   1453 O  O   . SER   A 1 201 ? -30.006 28.431 -8.892  1.000 28.219 0 218 SER   AAA O   1 ? 
ATOM   1454 C  CB  . SER   A 1 201 ? -30.283 27.250 -11.811 1.000 28.274 0 218 SER   AAA CB  1 ? 
ATOM   1455 O  OG  . SER   A 1 201 ? -31.578 26.692 -11.872 1.000 28.030 0 218 SER   AAA OG  1 ? 
ATOM   1456 N  N   . ASP   A 1 202 ? -31.183 26.507 -8.745  1.000 25.627 0 219 ASP   AAA N   1 ? 
ATOM   1457 C  CA  . ASP   A 1 202 ? -31.941 26.907 -7.528  1.000 25.645 0 219 ASP   AAA CA  1 ? 
ATOM   1458 C  C   . ASP   A 1 202 ? -31.160 26.539 -6.259  1.000 25.511 0 219 ASP   AAA C   1 ? 
ATOM   1459 O  O   . ASP   A 1 202 ? -31.702 26.751 -5.176  1.000 27.295 0 219 ASP   AAA O   1 ? 
ATOM   1460 C  CB  . ASP   A 1 202 ? -33.349 26.302 -7.555  1.000 25.516 0 219 ASP   AAA CB  1 ? 
ATOM   1461 C  CG  . ASP   A 1 202 ? -33.406 24.790 -7.418  1.000 25.553 0 219 ASP   AAA CG  1 ? 
ATOM   1462 O  OD1 . ASP   A 1 202 ? -32.343 24.165 -7.283  1.000 23.050 0 219 ASP   AAA OD1 1 ? 
ATOM   1463 O  OD2 . ASP   A 1 202 ? -34.524 24.254 -7.444  1.000 25.545 0 219 ASP   AAA OD2 1 ? 
ATOM   1464 N  N   . ALA   A 1 203 ? -29.974 25.937 -6.398  1.000 25.882 0 220 ALA   AAA N   1 ? 
ATOM   1465 C  CA  . ALA   A 1 203 ? -29.093 25.622 -5.242  1.000 24.324 0 220 ALA   AAA CA  1 ? 
ATOM   1466 C  C   . ALA   A 1 203 ? -29.659 24.507 -4.345  1.000 24.106 0 220 ALA   AAA C   1 ? 
ATOM   1467 O  O   . ALA   A 1 203 ? -29.094 24.283 -3.271  1.000 23.500 0 220 ALA   AAA O   1 ? 
ATOM   1468 C  CB  . ALA   A 1 203 ? -28.805 26.878 -4.469  1.000 25.295 0 220 ALA   AAA CB  1 ? 
ATOM   1469 N  N   . LYS   A 1 204 ? -30.724 23.834 -4.779  1.000 23.011 0 221 LYS   AAA N   1 ? 
ATOM   1470 C  CA  . LYS   A 1 204 ? -31.245 22.673 -4.017  1.000 25.993 0 221 LYS   AAA CA  1 ? 
ATOM   1471 C  C   . LYS   A 1 204 ? -30.208 21.542 -4.064  1.000 22.958 0 221 LYS   AAA C   1 ? 
ATOM   1472 O  O   . LYS   A 1 204 ? -29.927 21.044 -5.150  1.000 22.855 0 221 LYS   AAA O   1 ? 
ATOM   1473 C  CB  . LYS   A 1 204 ? -32.594 22.205 -4.564  1.000 27.135 0 221 LYS   AAA CB  1 ? 
ATOM   1474 C  CG  . LYS   A 1 204 ? -33.764 23.133 -4.282  1.000 32.757 0 221 LYS   AAA CG  1 ? 
ATOM   1475 C  CD  . LYS   A 1 204 ? -35.072 22.548 -4.752  1.000 37.510 0 221 LYS   AAA CD  1 ? 
ATOM   1476 C  CE  . LYS   A 1 204 ? -36.257 23.459 -4.528  1.000 41.589 0 221 LYS   AAA CE  1 ? 
ATOM   1477 N  NZ  . LYS   A 1 204 ? -37.530 22.711 -4.638  1.000 44.926 0 221 LYS   AAA NZ  1 ? 
ATOM   1478 N  N   . PRO   A 1 205 ? -29.653 21.125 -2.910  1.000 25.008 0 224 PRO   AAA N   1 ? 
ATOM   1479 C  CA  . PRO   A 1 205 ? -28.690 20.026 -2.859  1.000 21.574 0 224 PRO   AAA CA  1 ? 
ATOM   1480 C  C   . PRO   A 1 205 ? -29.357 18.673 -3.179  1.000 23.290 0 224 PRO   AAA C   1 ? 
ATOM   1481 O  O   . PRO   A 1 205 ? -30.551 18.580 -3.094  1.000 21.650 0 224 PRO   AAA O   1 ? 
ATOM   1482 C  CB  . PRO   A 1 205 ? -28.157 20.062 -1.422  1.000 22.440 0 224 PRO   AAA CB  1 ? 
ATOM   1483 C  CG  . PRO   A 1 205 ? -28.675 21.345 -0.815  1.000 24.682 0 224 PRO   AAA CG  1 ? 
ATOM   1484 C  CD  . PRO   A 1 205 ? -29.921 21.694 -1.595  1.000 26.135 0 224 PRO   AAA CD  1 ? 
ATOM   1485 N  N   . PRO   A 1 206 ? -28.590 17.632 -3.569  1.000 22.029 0 225 PRO   AAA N   1 ? 
ATOM   1486 C  CA  . PRO   A 1 206 ? -27.130 17.696 -3.589  1.000 22.092 0 225 PRO   AAA CA  1 ? 
ATOM   1487 C  C   . PRO   A 1 206 ? -26.462 18.314 -4.828  1.000 19.963 0 225 PRO   AAA C   1 ? 
ATOM   1488 O  O   . PRO   A 1 206 ? -27.152 18.573 -5.776  1.000 20.987 0 225 PRO   AAA O   1 ? 
ATOM   1489 C  CB  . PRO   A 1 206 ? -26.747 16.207 -3.559  1.000 21.645 0 225 PRO   AAA CB  1 ? 
ATOM   1490 C  CG  . PRO   A 1 206 ? -27.861 15.510 -4.288  1.000 20.760 0 225 PRO   AAA CG  1 ? 
ATOM   1491 C  CD  . PRO   A 1 206 ? -29.099 16.320 -3.975  1.000 22.995 0 225 PRO   AAA CD  1 ? 
ATOM   1492 N  N   . ALA   A 1 207 ? -25.163 18.589 -4.750  1.000 19.321 0 226 ALA   AAA N   1 ? 
ATOM   1493 C  CA  . ALA   A 1 207 ? -24.388 19.007 -5.903  1.000 21.013 0 226 ALA   AAA CA  1 ? 
ATOM   1494 C  C   . ALA   A 1 207 ? -23.372 17.927 -6.259  1.000 19.044 0 226 ALA   AAA C   1 ? 
ATOM   1495 O  O   . ALA   A 1 207 ? -23.128 17.010 -5.471  1.000 19.834 0 226 ALA   AAA O   1 ? 
ATOM   1496 C  CB  . ALA   A 1 207 ? -23.697 20.322 -5.615  1.000 21.689 0 226 ALA   AAA CB  1 ? 
ATOM   1497 N  N   . VAL   A 1 208 ? -22.748 18.112 -7.428  1.000 17.531 0 227 VAL   AAA N   1 ? 
ATOM   1498 C  CA  . VAL   A 1 208 ? -21.813 17.159 -7.996  1.000 17.452 0 227 VAL   AAA CA  1 ? 
ATOM   1499 C  C   . VAL   A 1 208 ? -20.407 17.711 -7.855  1.000 17.663 0 227 VAL   AAA C   1 ? 
ATOM   1500 O  O   . VAL   A 1 208 ? -20.151 18.848 -8.236  1.000 17.671 0 227 VAL   AAA O   1 ? 
ATOM   1501 C  CB  . VAL   A 1 208 ? -22.180 16.815 -9.458  1.000 16.702 0 227 VAL   AAA CB  1 ? 
ATOM   1502 C  CG1 . VAL   A 1 208 ? -21.140 15.917 -10.113 1.000 16.234 0 227 VAL   AAA CG1 1 ? 
ATOM   1503 C  CG2 . VAL   A 1 208 ? -23.539 16.158 -9.533  1.000 17.244 0 227 VAL   AAA CG2 1 ? 
ATOM   1504 N  N   . PHE   A 1 209 ? -19.527 16.897 -7.268  1.000 17.381 0 228 PHE   AAA N   1 ? 
ATOM   1505 C  CA  . PHE   A 1 209 ? -18.115 17.214 -7.158  1.000 17.281 0 228 PHE   AAA CA  1 ? 
ATOM   1506 C  C   . PHE   A 1 209 ? -17.281 16.183 -7.907  1.000 17.905 0 228 PHE   AAA C   1 ? 
ATOM   1507 O  O   . PHE   A 1 209 ? -17.591 14.994 -7.867  1.000 16.320 0 228 PHE   AAA O   1 ? 
ATOM   1508 C  CB  . PHE   A 1 209 ? -17.664 17.228 -5.700  1.000 17.368 0 228 PHE   AAA CB  1 ? 
ATOM   1509 C  CG  . PHE   A 1 209 ? -18.149 18.372 -4.850  1.000 16.939 0 228 PHE   AAA CG  1 ? 
ATOM   1510 C  CD1 . PHE   A 1 209 ? -19.500 18.691 -4.752  1.000 17.768 0 228 PHE   AAA CD1 1 ? 
ATOM   1511 C  CD2 . PHE   A 1 209 ? -17.254 19.075 -4.055  1.000 17.694 0 228 PHE   AAA CD2 1 ? 
ATOM   1512 C  CE1 . PHE   A 1 209 ? -19.944 19.708 -3.920  1.000 18.123 0 228 PHE   AAA CE1 1 ? 
ATOM   1513 C  CE2 . PHE   A 1 209 ? -17.708 20.081 -3.205  1.000 19.084 0 228 PHE   AAA CE2 1 ? 
ATOM   1514 C  CZ  . PHE   A 1 209 ? -19.038 20.408 -3.150  1.000 18.123 0 228 PHE   AAA CZ  1 ? 
ATOM   1515 N  N   . THR   A 1 210 ? -16.195 16.646 -8.557  1.000 16.997 0 229 THR   AAA N   1 ? 
ATOM   1516 C  CA  . THR   A 1 210 ? -15.209 15.753 -9.122  1.000 17.573 0 229 THR   AAA CA  1 ? 
ATOM   1517 C  C   . THR   A 1 210 ? -14.569 14.894 -8.023  1.000 18.992 0 229 THR   AAA C   1 ? 
ATOM   1518 O  O   . THR   A 1 210 ? -14.163 15.406 -6.978  1.000 17.892 0 229 THR   AAA O   1 ? 
ATOM   1519 C  CB  . THR   A 1 210 ? -14.109 16.554 -9.819  1.000 18.905 0 229 THR   AAA CB  1 ? 
ATOM   1520 O  OG1 . THR   A 1 210 ? -14.704 17.470 -10.735 1.000 19.371 0 229 THR   AAA OG1 1 ? 
ATOM   1521 C  CG2 . THR   A 1 210 ? -13.094 15.680 -10.509 1.000 19.421 0 229 THR   AAA CG2 1 ? 
ATOM   1522 N  N   . ARG   A 1 211 ? -14.447 13.586 -8.277  1.000 19.747 0 230 ARG   AAA N   1 ? 
ATOM   1523 C  CA  . ARG   A 1 211 ? -13.807 12.644 -7.362  1.000 21.434 0 230 ARG   AAA CA  1 ? 
ATOM   1524 C  C   . ARG   A 1 211 ? -12.300 12.633 -7.633  1.000 22.516 0 230 ARG   AAA C   1 ? 
ATOM   1525 O  O   . ARG   A 1 211 ? -11.842 11.966 -8.564  1.000 24.845 0 230 ARG   AAA O   1 ? 
ATOM   1526 C  CB  . ARG   A 1 211 ? -14.436 11.249 -7.504  1.000 21.105 0 230 ARG   AAA CB  1 ? 
ATOM   1527 C  CG  . ARG   A 1 211 ? -13.868 10.177 -6.576  1.000 22.763 0 230 ARG   AAA CG  1 ? 
ATOM   1528 C  CD  . ARG   A 1 211 ? -14.373 8.771  -6.867  1.000 24.627 0 230 ARG   AAA CD  1 ? 
ATOM   1529 N  NE  . ARG   A 1 211 ? -15.804 8.584  -6.634  1.000 25.074 0 230 ARG   AAA NE  1 ? 
ATOM   1530 C  CZ  . ARG   A 1 211 ? -16.354 8.358  -5.451  1.000 25.748 0 230 ARG   AAA CZ  1 ? 
ATOM   1531 N  NH1 . ARG   A 1 211 ? -15.595 8.266  -4.381  1.000 25.853 0 230 ARG   AAA NH1 1 ? 
ATOM   1532 N  NH2 . ARG   A 1 211 ? -17.664 8.242  -5.329  1.000 23.648 0 230 ARG   AAA NH2 1 ? 
ATOM   1533 N  N   . ILE   A 1 212 ? -11.526 13.329 -6.780  1.000 20.958 0 231 ILE   AAA N   1 ? 
ATOM   1534 C  CA  . ILE   A 1 212 ? -10.104 13.529 -7.026  1.000 23.390 0 231 ILE   AAA CA  1 ? 
ATOM   1535 C  C   . ILE   A 1 212 ? -9.372  12.184 -7.161  1.000 23.648 0 231 ILE   AAA C   1 ? 
ATOM   1536 O  O   . ILE   A 1 212 ? -8.500  12.052 -8.016  1.000 25.727 0 231 ILE   AAA O   1 ? 
ATOM   1537 C  CB  . ILE   A 1 212 ? -9.438  14.442 -5.965  1.000 22.340 0 231 ILE   AAA CB  1 ? 
ATOM   1538 C  CG1 . ILE   A 1 212 ? -10.067 15.832 -5.899  1.000 23.992 0 231 ILE   AAA CG1 1 ? 
ATOM   1539 C  CG2 . ILE   A 1 212 ? -7.960  14.587 -6.232  1.000 22.616 0 231 ILE   AAA CG2 1 ? 
ATOM   1540 C  CD1 . ILE   A 1 212 ? -9.525  16.692 -4.770  1.000 25.308 0 231 ILE   AAA CD1 1 ? 
ATOM   1541 N  N   . SER   A 1 213 ? -9.731  11.181 -6.354  1.000 26.185 0 232 SER   AAA N   1 ? 
ATOM   1542 C  CA  . SER   A 1 213 ? -9.019  9.906  -6.343  1.000 27.040 0 232 SER   AAA CA  1 ? 
ATOM   1543 C  C   . SER   A 1 213 ? -8.913  9.323  -7.751  1.000 27.353 0 232 SER   AAA C   1 ? 
ATOM   1544 O  O   . SER   A 1 213 ? -7.856  8.827  -8.151  1.000 26.401 0 232 SER   AAA O   1 ? 
ATOM   1545 C  CB  . SER   A 1 213 ? -9.641  8.939  -5.366  1.000 26.179 0 232 SER   AAA CB  1 ? 
ATOM   1546 O  OG  . SER   A 1 213 ? -10.917 8.477  -5.796  1.000 23.384 0 232 SER   AAA OG  1 ? 
ATOM   1547 N  N   . HIS   A 1 214 ? -10.005 9.417  -8.515  1.000 27.074 0 233 HIS   AAA N   1 ? 
ATOM   1548 C  CA  . HIS   A 1 214 ? -10.039 8.893  -9.866  1.000 25.056 0 233 HIS   AAA CA  1 ? 
ATOM   1549 C  C   . HIS   A 1 214 ? -8.973  9.556  -10.730 1.000 25.469 0 233 HIS   AAA C   1 ? 
ATOM   1550 O  O   . HIS   A 1 214 ? -8.450  8.931  -11.647 1.000 23.453 0 233 HIS   AAA O   1 ? 
ATOM   1551 C  CB  . HIS   A 1 214 ? -11.415 9.106  -10.488 1.000 27.114 0 233 HIS   AAA CB  1 ? 
ATOM   1552 C  CG  . HIS   A 1 214 ? -11.536 8.495  -11.835 1.000 28.151 0 233 HIS   AAA CG  1 ? 
ATOM   1553 N  ND1 . HIS   A 1 214 ? -11.743 7.152  -12.044 1.000 30.548 0 233 HIS   AAA ND1 1 ? 
ATOM   1554 C  CD2 . HIS   A 1 214 ? -11.488 9.069  -13.052 1.000 29.185 0 233 HIS   AAA CD2 1 ? 
ATOM   1555 C  CE1 . HIS   A 1 214 ? -11.792 6.928  -13.348 1.000 30.517 0 233 HIS   AAA CE1 1 ? 
ATOM   1556 N  NE2 . HIS   A 1 214 ? -11.637 8.074  -13.975 1.000 31.296 0 233 HIS   AAA NE2 1 ? 
ATOM   1557 N  N   . TYR   A 1 215 ? -8.652  10.822 -10.443 1.000 25.316 0 234 TYR   AAA N   1 ? 
ATOM   1558 C  CA  . TYR   A 1 215 ? -7.781  11.602 -11.317 1.000 25.603 0 234 TYR   AAA CA  1 ? 
ATOM   1559 C  C   . TYR   A 1 215 ? -6.330  11.600 -10.860 1.000 23.540 0 234 TYR   AAA C   1 ? 
ATOM   1560 O  O   . TYR   A 1 215 ? -5.507  12.207 -11.527 1.000 24.179 0 234 TYR   AAA O   1 ? 
ATOM   1561 C  CB  . TYR   A 1 215 ? -8.323  13.024 -11.464 1.000 22.261 0 234 TYR   AAA CB  1 ? 
ATOM   1562 C  CG  . TYR   A 1 215 ? -9.643  12.971 -12.170 1.000 21.829 0 234 TYR   AAA CG  1 ? 
ATOM   1563 C  CD1 . TYR   A 1 215 ? -9.688  12.838 -13.546 1.000 24.303 0 234 TYR   AAA CD1 1 ? 
ATOM   1564 C  CD2 . TYR   A 1 215 ? -10.835 12.839 -11.462 1.000 21.024 0 234 TYR   AAA CD2 1 ? 
ATOM   1565 C  CE1 . TYR   A 1 215 ? -10.895 12.685 -14.218 1.000 23.837 0 234 TYR   AAA CE1 1 ? 
ATOM   1566 C  CE2 . TYR   A 1 215 ? -12.048 12.666 -12.119 1.000 23.155 0 234 TYR   AAA CE2 1 ? 
ATOM   1567 C  CZ  . TYR   A 1 215 ? -12.082 12.600 -13.503 1.000 22.524 0 234 TYR   AAA CZ  1 ? 
ATOM   1568 O  OH  . TYR   A 1 215 ? -13.276 12.412 -14.158 1.000 21.510 0 234 TYR   AAA OH  1 ? 
ATOM   1569 N  N   . GLN   A 1 216 ? -6.006  10.902 -9.771  1.000 26.590 0 235 GLN   AAA N   1 ? 
ATOM   1570 C  CA  . GLN   A 1 216 ? -4.692  11.054 -9.170  1.000 32.338 0 235 GLN   AAA CA  1 ? 
ATOM   1571 C  C   . GLN   A 1 216 ? -3.577  10.621 -10.126 1.000 31.870 0 235 GLN   AAA C   1 ? 
ATOM   1572 O  O   . GLN   A 1 216 ? -2.550  11.301 -10.179 1.000 28.067 0 235 GLN   AAA O   1 ? 
ATOM   1573 C  CB  . GLN   A 1 216 ? -4.572  10.363 -7.812  1.000 41.052 0 235 GLN   AAA CB  1 ? 
ATOM   1574 C  CG  . GLN   A 1 216 ? -4.870  11.296 -6.637  1.000 51.567 0 235 GLN   AAA CG  1 ? 
ATOM   1575 C  CD  . GLN   A 1 216 ? -3.940  12.488 -6.493  1.000 61.015 0 235 GLN   AAA CD  1 ? 
ATOM   1576 O  OE1 . GLN   A 1 216 ? -4.258  13.466 -5.815  1.000 76.628 0 235 GLN   AAA OE1 1 ? 
ATOM   1577 N  NE2 . GLN   A 1 216 ? -2.786  12.450 -7.147  1.000 61.349 0 235 GLN   AAA NE2 1 ? 
ATOM   1578 N  N   . PRO   A 1 217 ? -3.711  9.540  -10.929 1.000 28.651 0 236 PRO   AAA N   1 ? 
ATOM   1579 C  CA  . PRO   A 1 217 ? -2.706  9.228  -11.947 1.000 28.672 0 236 PRO   AAA CA  1 ? 
ATOM   1580 C  C   . PRO   A 1 217 ? -2.467  10.361 -12.946 1.000 29.069 0 236 PRO   AAA C   1 ? 
ATOM   1581 O  O   . PRO   A 1 217 ? -1.318  10.685 -13.256 1.000 28.388 0 236 PRO   AAA O   1 ? 
ATOM   1582 C  CB  . PRO   A 1 217 ? -3.293  7.986  -12.640 1.000 28.611 0 236 PRO   AAA CB  1 ? 
ATOM   1583 C  CG  . PRO   A 1 217 ? -4.074  7.329  -11.537 1.000 28.282 0 236 PRO   AAA CG  1 ? 
ATOM   1584 C  CD  . PRO   A 1 217 ? -4.753  8.505  -10.857 1.000 29.393 0 236 PRO   AAA CD  1 ? 
ATOM   1585 N  N   . TRP   A 1 218 ? -3.559  10.968 -13.438 1.000 28.164 0 237 TRP   AAA N   1 ? 
ATOM   1586 C  CA  . TRP   A 1 218 ? -3.432  12.087 -14.351 1.000 27.714 0 237 TRP   AAA CA  1 ? 
ATOM   1587 C  C   . TRP   A 1 218 ? -2.738  13.269 -13.659 1.000 27.601 0 237 TRP   AAA C   1 ? 
ATOM   1588 O  O   . TRP   A 1 218 ? -1.864  13.885 -14.262 1.000 25.966 0 237 TRP   AAA O   1 ? 
ATOM   1589 C  CB  . TRP   A 1 218 ? -4.795  12.458 -14.959 1.000 26.866 0 237 TRP   AAA CB  1 ? 
ATOM   1590 C  CG  . TRP   A 1 218 ? -4.701  13.698 -15.796 1.000 26.224 0 237 TRP   AAA CG  1 ? 
ATOM   1591 C  CD1 . TRP   A 1 218 ? -4.229  13.810 -17.070 1.000 27.761 0 237 TRP   AAA CD1 1 ? 
ATOM   1592 C  CD2 . TRP   A 1 218 ? -5.038  15.033 -15.377 1.000 24.887 0 237 TRP   AAA CD2 1 ? 
ATOM   1593 N  NE1 . TRP   A 1 218 ? -4.275  15.115 -17.482 1.000 28.414 0 237 TRP   AAA NE1 1 ? 
ATOM   1594 C  CE2 . TRP   A 1 218 ? -4.762  15.891 -16.465 1.000 25.295 0 237 TRP   AAA CE2 1 ? 
ATOM   1595 C  CE3 . TRP   A 1 218 ? -5.509  15.586 -14.184 1.000 21.737 0 237 TRP   AAA CE3 1 ? 
ATOM   1596 C  CZ2 . TRP   A 1 218 ? -4.966  17.268 -16.392 1.000 24.445 0 237 TRP   AAA CZ2 1 ? 
ATOM   1597 C  CZ3 . TRP   A 1 218 ? -5.707  16.947 -14.114 1.000 22.461 0 237 TRP   AAA CZ3 1 ? 
ATOM   1598 C  CH2 . TRP   A 1 218 ? -5.448  17.770 -15.205 1.000 22.937 0 237 TRP   AAA CH2 1 ? 
ATOM   1599 N  N   . ILE   A 1 219 ? -3.092  13.567 -12.393 1.000 26.187 0 238 ILE   AAA N   1 ? 
ATOM   1600 C  CA  . ILE   A 1 219 ? -2.449  14.664 -11.664 1.000 24.900 0 238 ILE   AAA CA  1 ? 
ATOM   1601 C  C   . ILE   A 1 219 ? -0.929  14.436 -11.567 1.000 28.069 0 238 ILE   AAA C   1 ? 
ATOM   1602 O  O   . ILE   A 1 219 ? -0.154  15.358 -11.824 1.000 26.830 0 238 ILE   AAA O   1 ? 
ATOM   1603 C  CB  . ILE   A 1 219 ? -3.111  14.907 -10.291 1.000 24.427 0 238 ILE   AAA CB  1 ? 
ATOM   1604 C  CG1 . ILE   A 1 219 ? -4.551  15.400 -10.428 1.000 24.306 0 238 ILE   AAA CG1 1 ? 
ATOM   1605 C  CG2 . ILE   A 1 219 ? -2.314  15.876 -9.431  1.000 25.185 0 238 ILE   AAA CG2 1 ? 
ATOM   1606 C  CD1 . ILE   A 1 219 ? -5.337  15.300 -9.141  1.000 26.545 0 238 ILE   AAA CD1 1 ? 
ATOM   1607 N  N   . ASN   A 1 220 ? -0.480  13.213 -11.227 1.000 29.119 0 239 ASN   AAA N   1 ? 
ATOM   1608 C  CA  . ASN   A 1 220 ? 0.947   12.946 -11.057 1.000 31.104 0 239 ASN   AAA CA  1 ? 
ATOM   1609 C  C   . ASN   A 1 220 ? 1.653   13.060 -12.394 1.000 30.035 0 239 ASN   AAA C   1 ? 
ATOM   1610 O  O   . ASN   A 1 220 ? 2.767   13.566 -12.482 1.000 28.535 0 239 ASN   AAA O   1 ? 
ATOM   1611 C  CB  . ASN   A 1 220 ? 1.206   11.566 -10.445 1.000 33.188 0 239 ASN   AAA CB  1 ? 
ATOM   1612 C  CG  . ASN   A 1 220 ? 0.659   11.479 -9.044  1.000 35.283 0 239 ASN   AAA CG  1 ? 
ATOM   1613 O  OD1 . ASN   A 1 220 ? 0.510   12.488 -8.364  1.000 43.000 0 239 ASN   AAA OD1 1 ? 
ATOM   1614 N  ND2 . ASN   A 1 220 ? 0.364   10.284 -8.589  1.000 43.250 0 239 ASN   AAA ND2 1 ? 
ATOM   1615 N  N   . GLN   A 1 221 ? 0.989   12.594 -13.446 1.000 29.917 0 240 GLN   AAA N   1 ? 
ATOM   1616 C  CA  . GLN   A 1 221 ? 1.540   12.696 -14.786 1.000 35.146 0 240 GLN   AAA CA  1 ? 
ATOM   1617 C  C   . GLN   A 1 221 ? 1.866   14.154 -15.116 1.000 35.017 0 240 GLN   AAA C   1 ? 
ATOM   1618 O  O   . GLN   A 1 221 ? 2.971   14.468 -15.561 1.000 31.614 0 240 GLN   AAA O   1 ? 
ATOM   1619 C  CB  . GLN   A 1 221 ? 0.533   12.137 -15.788 1.000 40.950 0 240 GLN   AAA CB  1 ? 
ATOM   1620 C  CG  . GLN   A 1 221 ? 1.100   11.910 -17.177 1.000 46.527 0 240 GLN   AAA CG  1 ? 
ATOM   1621 C  CD  . GLN   A 1 221 ? 0.018   11.364 -18.072 1.000 57.562 0 240 GLN   AAA CD  1 ? 
ATOM   1622 O  OE1 . GLN   A 1 221 ? -0.181  11.828 -19.191 1.000 73.285 0 240 GLN   AAA OE1 1 ? 
ATOM   1623 N  NE2 . GLN   A 1 221 ? -0.715  10.386 -17.567 1.000 60.526 0 240 GLN   AAA NE2 1 ? 
ATOM   1624 N  N   . ILE   A 1 222 ? 0.904   15.056 -14.865 1.000 32.054 0 241 ILE   AAA N   1 ? 
ATOM   1625 C  CA  . ILE   A 1 222 ? 1.124   16.450 -15.192 1.000 31.662 0 241 ILE   AAA CA  1 ? 
ATOM   1626 C  C   . ILE   A 1 222 ? 2.265   17.002 -14.348 1.000 31.399 0 241 ILE   AAA C   1 ? 
ATOM   1627 O  O   . ILE   A 1 222 ? 3.141   17.670 -14.889 1.000 32.093 0 241 ILE   AAA O   1 ? 
ATOM   1628 C  CB  . ILE   A 1 222 ? -0.150  17.289 -15.025 1.000 29.685 0 241 ILE   AAA CB  1 ? 
ATOM   1629 C  CG1 . ILE   A 1 222 ? -1.259  16.836 -15.978 1.000 31.283 0 241 ILE   AAA CG1 1 ? 
ATOM   1630 C  CG2 . ILE   A 1 222 ? 0.179   18.759 -15.198 1.000 27.695 0 241 ILE   AAA CG2 1 ? 
ATOM   1631 C  CD1 . ILE   A 1 222 ? -0.976  17.063 -17.472 1.000 32.062 0 241 ILE   AAA CD1 1 ? 
ATOM   1632 N  N   . LEU   A 1 223 ? 2.246   16.736 -13.036 1.000 31.185 0 242 LEU   AAA N   1 ? 
ATOM   1633 C  CA  . LEU   A 1 223 ? 3.236   17.321 -12.152 1.000 33.675 0 242 LEU   AAA CA  1 ? 
ATOM   1634 C  C   . LEU   A 1 223 ? 4.637   16.908 -12.601 1.000 40.729 0 242 LEU   AAA C   1 ? 
ATOM   1635 O  O   . LEU   A 1 223 ? 5.566   17.724 -12.645 1.000 43.037 0 242 LEU   AAA O   1 ? 
ATOM   1636 C  CB  . LEU   A 1 223 ? 2.944   16.885 -10.715 1.000 32.280 0 242 LEU   AAA CB  1 ? 
ATOM   1637 C  CG  . LEU   A 1 223 ? 1.659   17.443 -10.101 1.000 32.964 0 242 LEU   AAA CG  1 ? 
ATOM   1638 C  CD1 . LEU   A 1 223 ? 1.511   16.985 -8.666  1.000 33.746 0 242 LEU   AAA CD1 1 ? 
ATOM   1639 C  CD2 . LEU   A 1 223 ? 1.618   18.965 -10.179 1.000 31.301 0 242 LEU   AAA CD2 1 ? 
ATOM   1640 N  N   . GLN   A 1 224 ? 4.765   15.638 -12.979 1.000 41.394 0 243 GLN   AAA N   1 ? 
ATOM   1641 C  CA  . GLN   A 1 224 ? 6.069   15.051 -13.229 1.000 46.461 0 243 GLN   AAA CA  1 ? 
ATOM   1642 C  C   . GLN   A 1 224 ? 6.613   15.598 -14.554 1.000 45.505 0 243 GLN   AAA C   1 ? 
ATOM   1643 O  O   . GLN   A 1 224 ? 7.814   15.740 -14.717 1.000 42.745 0 243 GLN   AAA O   1 ? 
ATOM   1644 C  CB  . GLN   A 1 224 ? 5.901   13.531 -13.114 1.000 52.951 0 243 GLN   AAA CB  1 ? 
ATOM   1645 C  CG  . GLN   A 1 224 ? 7.190   12.759 -12.893 1.000 61.936 0 243 GLN   AAA CG  1 ? 
ATOM   1646 C  CD  . GLN   A 1 224 ? 7.752   12.196 -14.177 1.000 71.406 0 243 GLN   AAA CD  1 ? 
ATOM   1647 O  OE1 . GLN   A 1 224 ? 7.242   12.441 -15.273 1.000 66.053 0 243 GLN   AAA OE1 1 ? 
ATOM   1648 N  NE2 . GLN   A 1 224 ? 8.817   11.420 -14.042 1.000 79.117 0 243 GLN   AAA NE2 1 ? 
ATOM   1649 N  N   . ALA   A 1 225 ? 5.732   15.996 -15.478 1.000 46.774 0 244 ALA   AAA N   1 ? 
ATOM   1650 C  CA  . ALA   A 1 225 ? 6.175   16.489 -16.775 1.000 45.263 0 244 ALA   AAA CA  1 ? 
ATOM   1651 C  C   . ALA   A 1 225 ? 6.397   18.003 -16.771 1.000 44.479 0 244 ALA   AAA C   1 ? 
ATOM   1652 O  O   . ALA   A 1 225 ? 6.809   18.544 -17.794 1.000 48.522 0 244 ALA   AAA O   1 ? 
ATOM   1653 C  CB  . ALA   A 1 225 ? 5.173   16.098 -17.833 1.000 45.677 0 244 ALA   AAA CB  1 ? 
ATOM   1654 N  N   . ASN   A 1 226 ? 6.162   18.687 -15.637 1.000 40.694 0 245 ASN   AAA N   1 ? 
ATOM   1655 C  CA  . ASN   A 1 226 ? 6.195   20.147 -15.609 1.000 38.760 0 245 ASN   AAA CA  1 ? 
ATOM   1656 C  C   . ASN   A 1 226 ? 6.854   20.643 -14.317 1.000 39.842 0 245 ASN   AAA C   1 ? 
ATOM   1657 O  O   . ASN   A 1 226 ? 6.689   21.824 -14.007 1.000 34.888 0 245 ASN   AAA O   1 ? 
ATOM   1658 C  CB  . ASN   A 1 226 ? 4.789   20.724 -15.758 1.000 34.836 0 245 ASN   AAA CB  1 ? 
ATOM   1659 C  CG  . ASN   A 1 226 ? 4.205   20.467 -17.133 1.000 35.544 0 245 ASN   AAA CG  1 ? 
ATOM   1660 O  OD1 . ASN   A 1 226 ? 4.489   21.212 -18.063 1.000 36.528 0 245 ASN   AAA OD1 1 ? 
ATOM   1661 N  ND2 . ASN   A 1 226 ? 3.395   19.428 -17.277 1.000 34.267 0 245 ASN   AAA ND2 1 ? 
ATOM   1662 O  OXT . ASN   A 1 226 ? 7.511   19.817 -13.666 1.000 48.595 0 245 ASN   AAA OXT 1 ? 
HETATM 1663 C  C1  . NAG   B 2 .   ? -14.057 43.526 3.593   1.000 41.010 0 1   NAG   AbA C1  1 ? 
HETATM 1664 C  C2  . NAG   B 2 .   ? -15.109 43.841 4.650   1.000 43.876 0 1   NAG   AbA C2  1 ? 
HETATM 1665 C  C3  . NAG   B 2 .   ? -15.991 44.997 4.181   1.000 48.306 0 1   NAG   AbA C3  1 ? 
HETATM 1666 C  C4  . NAG   B 2 .   ? -15.146 46.210 3.810   1.000 54.836 0 1   NAG   AbA C4  1 ? 
HETATM 1667 C  C5  . NAG   B 2 .   ? -13.988 45.819 2.895   1.000 53.801 0 1   NAG   AbA C5  1 ? 
HETATM 1668 C  C6  . NAG   B 2 .   ? -12.979 46.934 2.747   1.000 54.833 0 1   NAG   AbA C6  1 ? 
HETATM 1669 C  C7  . NAG   B 2 .   ? -15.888 41.954 6.067   1.000 42.229 0 1   NAG   AbA C7  1 ? 
HETATM 1670 C  C8  . NAG   B 2 .   ? -14.666 42.028 6.935   1.000 39.131 0 1   NAG   AbA C8  1 ? 
HETATM 1671 N  N2  . NAG   B 2 .   ? -15.909 42.675 4.945   1.000 43.045 0 1   NAG   AbA N2  1 ? 
HETATM 1672 O  O3  . NAG   B 2 .   ? -16.902 45.307 5.228   1.000 47.119 0 1   NAG   AbA O3  1 ? 
HETATM 1673 O  O4  . NAG   B 2 .   ? -15.935 47.169 3.110   1.000 61.557 0 1   NAG   AbA O4  1 ? 
HETATM 1674 O  O5  . NAG   B 2 .   ? -13.270 44.689 3.429   1.000 48.287 0 1   NAG   AbA O5  1 ? 
HETATM 1675 O  O6  . NAG   B 2 .   ? -12.607 47.113 1.382   1.000 59.328 0 1   NAG   AbA O6  1 ? 
HETATM 1676 O  O7  . NAG   B 2 .   ? -16.817 41.205 6.334   1.000 46.911 0 1   NAG   AbA O7  1 ? 
HETATM 1677 C  C1  . NAG   B 2 .   ? -16.321 48.251 3.964   1.000 67.134 0 2   NAG   AbA C1  1 ? 
HETATM 1678 C  C2  . NAG   B 2 .   ? -16.487 49.452 3.037   1.000 73.898 0 2   NAG   AbA C2  1 ? 
HETATM 1679 C  C3  . NAG   B 2 .   ? -17.321 50.531 3.710   1.000 77.041 0 2   NAG   AbA C3  1 ? 
HETATM 1680 C  C4  . NAG   B 2 .   ? -18.605 49.949 4.285   1.000 77.122 0 2   NAG   AbA C4  1 ? 
HETATM 1681 C  C5  . NAG   B 2 .   ? -18.276 48.835 5.277   1.000 74.193 0 2   NAG   AbA C5  1 ? 
HETATM 1682 C  C6  . NAG   B 2 .   ? -19.510 48.123 5.795   1.000 71.814 0 2   NAG   AbA C6  1 ? 
HETATM 1683 C  C7  . NAG   B 2 .   ? -14.753 49.799 1.351   1.000 78.517 0 2   NAG   AbA C7  1 ? 
HETATM 1684 C  C8  . NAG   B 2 .   ? -13.352 50.262 1.084   1.000 76.733 0 2   NAG   AbA C8  1 ? 
HETATM 1685 N  N2  . NAG   B 2 .   ? -15.214 49.984 2.593   1.000 78.304 0 2   NAG   AbA N2  1 ? 
HETATM 1686 O  O3  . NAG   B 2 .   ? -17.596 51.512 2.723   1.000 78.894 0 2   NAG   AbA O3  1 ? 
HETATM 1687 O  O4  . NAG   B 2 .   ? -19.327 50.988 4.943   1.000 89.405 0 2   NAG   AbA O4  1 ? 
HETATM 1688 O  O5  . NAG   B 2 .   ? -17.488 47.814 4.636   1.000 68.837 0 2   NAG   AbA O5  1 ? 
HETATM 1689 O  O6  . NAG   B 2 .   ? -19.202 47.209 6.848   1.000 66.540 0 2   NAG   AbA O6  1 ? 
HETATM 1690 O  O7  . NAG   B 2 .   ? -15.437 49.272 0.477   1.000 72.872 0 2   NAG   AbA O7  1 ? 
HETATM 1691 C  C1  . NAG   C 3 .   ? -19.287 15.185 -24.786 1.000 40.152 0 301 NAG   AAA C1  1 ? 
HETATM 1692 C  C2  . NAG   C 3 .   ? -18.684 14.762 -26.128 1.000 44.540 0 301 NAG   AAA C2  1 ? 
HETATM 1693 C  C3  . NAG   C 3 .   ? -19.794 14.527 -27.159 1.000 44.184 0 301 NAG   AAA C3  1 ? 
HETATM 1694 C  C4  . NAG   C 3 .   ? -20.846 13.575 -26.598 1.000 44.745 0 301 NAG   AAA C4  1 ? 
HETATM 1695 C  C5  . NAG   C 3 .   ? -21.410 14.216 -25.327 1.000 46.063 0 301 NAG   AAA C5  1 ? 
HETATM 1696 C  C6  . NAG   C 3 .   ? -22.565 13.463 -24.684 1.000 42.705 0 301 NAG   AAA C6  1 ? 
HETATM 1697 C  C7  . NAG   C 3 .   ? -16.392 15.531 -26.562 1.000 53.127 0 301 NAG   AAA C7  1 ? 
HETATM 1698 C  C8  . NAG   C 3 .   ? -15.655 15.762 -27.847 1.000 53.796 0 301 NAG   AAA C8  1 ? 
HETATM 1699 N  N2  . NAG   C 3 .   ? -17.715 15.742 -26.585 1.000 48.940 0 301 NAG   AAA N2  1 ? 
HETATM 1700 O  O3  . NAG   C 3 .   ? -19.231 14.063 -28.383 1.000 43.439 0 301 NAG   AAA O3  1 ? 
HETATM 1701 O  O4  . NAG   C 3 .   ? -21.890 13.323 -27.544 1.000 47.650 0 301 NAG   AAA O4  1 ? 
HETATM 1702 O  O5  . NAG   C 3 .   ? -20.338 14.325 -24.356 1.000 43.139 0 301 NAG   AAA O5  1 ? 
HETATM 1703 O  O6  . NAG   C 3 .   ? -22.201 12.201 -24.107 1.000 43.471 0 301 NAG   AAA O6  1 ? 
HETATM 1704 O  O7  . NAG   C 3 .   ? -15.811 15.172 -25.541 1.000 60.770 0 301 NAG   AAA O7  1 ? 
HETATM 1705 C  C4  . A1IJO D 4 .   ? -22.883 25.269 -8.749  1.000 32.264 0 302 A1IJO AAA C4  1 ? 
HETATM 1706 C  C5  . A1IJO D 4 .   ? -24.012 25.701 -9.414  1.000 32.662 0 302 A1IJO AAA C5  1 ? 
HETATM 1707 C  C6  . A1IJO D 4 .   ? -25.305 25.375 -8.943  1.000 32.593 0 302 A1IJO AAA C6  1 ? 
HETATM 1708 C  C7  . A1IJO D 4 .   ? -23.954 26.532 -10.655 1.000 32.496 0 302 A1IJO AAA C7  1 ? 
HETATM 1709 C  C10 . A1IJO D 4 .   ? -26.518 26.448 -13.359 1.000 36.328 0 302 A1IJO AAA C10 1 ? 
HETATM 1710 N  N12 . A1IJO D 4 .   ? -25.147 24.521 -13.653 1.000 37.836 0 302 A1IJO AAA N12 1 ? 
HETATM 1711 C  C13 . A1IJO D 4 .   ? -24.934 23.346 -14.357 1.000 45.103 0 302 A1IJO AAA C13 1 ? 
HETATM 1712 C  C15 . A1IJO D 4 .   ? -23.709 21.911 -15.841 1.000 48.379 0 302 A1IJO AAA C15 1 ? 
HETATM 1713 C  C17 . A1IJO D 4 .   ? -25.778 21.134 -14.806 1.000 51.261 0 302 A1IJO AAA C17 1 ? 
HETATM 1714 C  C20 . A1IJO D 4 .   ? -23.169 19.464 -16.583 1.000 60.236 0 302 A1IJO AAA C20 1 ? 
HETATM 1715 C  C21 . A1IJO D 4 .   ? -24.404 24.873 -12.521 1.000 33.994 0 302 A1IJO AAA C21 1 ? 
HETATM 1716 C  C28 . A1IJO D 4 .   ? -21.817 24.009 -6.892  1.000 35.941 0 302 A1IJO AAA C28 1 ? 
HETATM 1717 C  C27 . A1IJO D 4 .   ? -21.468 25.573 -9.242  1.000 32.364 0 302 A1IJO AAA C27 1 ? 
HETATM 1718 C  C3  . A1IJO D 4 .   ? -23.060 24.507 -7.585  1.000 34.633 0 302 A1IJO AAA C3  1 ? 
HETATM 1719 F  F31 . A1IJO D 4 .   ? -21.216 23.303 -7.863  1.000 37.307 0 302 A1IJO AAA F31 1 ? 
HETATM 1720 F  F29 . A1IJO D 4 .   ? -22.155 23.259 -5.837  1.000 34.752 0 302 A1IJO AAA F29 1 ? 
HETATM 1721 F  F30 . A1IJO D 4 .   ? -20.988 25.005 -6.492  1.000 37.881 0 302 A1IJO AAA F30 1 ? 
HETATM 1722 C  C2  . A1IJO D 4 .   ? -24.339 24.196 -7.114  1.000 35.333 0 302 A1IJO AAA C2  1 ? 
HETATM 1723 C  C1  . A1IJO D 4 .   ? -25.488 24.635 -7.782  1.000 31.749 0 302 A1IJO AAA C1  1 ? 
HETATM 1724 N  N8  . A1IJO D 4 .   ? -24.725 26.035 -11.814 1.000 37.326 0 302 A1IJO AAA N8  1 ? 
HETATM 1725 O  O22 . A1IJO D 4 .   ? -23.490 24.205 -12.103 1.000 25.985 0 302 A1IJO AAA O22 1 ? 
HETATM 1726 C  C9  . A1IJO D 4 .   ? -25.787 26.822 -12.245 1.000 34.757 0 302 A1IJO AAA C9  1 ? 
HETATM 1727 O  O26 . A1IJO D 4 .   ? -26.009 27.852 -11.593 1.000 35.602 0 302 A1IJO AAA O26 1 ? 
HETATM 1728 C  C23 . A1IJO D 4 .   ? -27.668 27.322 -13.944 1.000 40.102 0 302 A1IJO AAA C23 1 ? 
HETATM 1729 O  O24 . A1IJO D 4 .   ? -28.317 26.780 -14.872 1.000 41.971 0 302 A1IJO AAA O24 1 ? 
HETATM 1730 O  O25 . A1IJO D 4 .   ? -27.741 28.561 -13.597 1.000 43.874 0 302 A1IJO AAA O25 1 ? 
HETATM 1731 C  C11 . A1IJO D 4 .   ? -26.199 25.300 -14.054 1.000 38.212 0 302 A1IJO AAA C11 1 ? 
HETATM 1732 C  C14 . A1IJO D 4 .   ? -23.825 23.135 -15.184 1.000 50.230 0 302 A1IJO AAA C14 1 ? 
HETATM 1733 C  C16 . A1IJO D 4 .   ? -24.680 20.914 -15.640 1.000 55.091 0 302 A1IJO AAA C16 1 ? 
HETATM 1734 O  O19 . A1IJO D 4 .   ? -24.568 19.705 -16.252 1.000 59.747 0 302 A1IJO AAA O19 1 ? 
HETATM 1735 C  C18 . A1IJO D 4 .   ? -25.893 22.358 -14.166 1.000 47.327 0 302 A1IJO AAA C18 1 ? 
HETATM 1736 ZN ZN  . ZN    E 5 .   ? -4.954  38.796 7.121   1.000 22.750 0 303 ZN    AAA ZN  1 ? 
HETATM 1737 ZN ZN  . ZN    F 5 .   ? -13.372 27.719 7.765   1.000 70.100 0 304 ZN    AAA ZN  1 ? 
HETATM 1738 O  O   . HOH   G 6 .   ? -8.392  22.083 6.134   1.000 42.710 0 401 HOH   AAA O   1 ? 
HETATM 1739 O  O   . HOH   G 6 .   ? -19.189 29.223 -14.521 1.000 41.700 0 402 HOH   AAA O   1 ? 
HETATM 1740 O  O   . HOH   G 6 .   ? -7.437  39.139 2.445   1.000 19.890 0 403 HOH   AAA O   1 ? 
HETATM 1741 O  O   . HOH   G 6 .   ? -1.768  35.203 -15.027 1.000 24.150 0 404 HOH   AAA O   1 ? 
HETATM 1742 O  O   . HOH   G 6 .   ? -29.318 30.591 -9.809  1.000 40.740 0 405 HOH   AAA O   1 ? 
HETATM 1743 O  O   . HOH   G 6 .   ? -19.329 28.587 -10.792 1.000 46.150 0 406 HOH   AAA O   1 ? 
HETATM 1744 O  O   . HOH   G 6 .   ? -1.706  23.353 -21.315 1.000 41.200 0 407 HOH   AAA O   1 ? 
HETATM 1745 O  O   . HOH   G 6 .   ? 9.582   15.162 -13.071 1.000 46.270 0 408 HOH   AAA O   1 ? 
HETATM 1746 O  O   . HOH   G 6 .   ? -31.823 13.344 3.352   1.000 25.410 0 409 HOH   AAA O   1 ? 
HETATM 1747 O  O   . HOH   G 6 .   ? -29.524 25.747 -1.044  1.000 27.770 0 410 HOH   AAA O   1 ? 
HETATM 1748 O  O   . HOH   G 6 .   ? 6.095   23.137 -17.889 1.000 36.490 0 411 HOH   AAA O   1 ? 
HETATM 1749 O  O   . HOH   G 6 .   ? -8.987  40.631 -4.782  1.000 52.000 0 412 HOH   AAA O   1 ? 
HETATM 1750 O  O   . HOH   G 6 .   ? -0.568  41.838 -3.188  1.000 37.840 0 413 HOH   AAA O   1 ? 
HETATM 1751 O  O   . HOH   G 6 .   ? -19.647 23.841 -19.997 1.000 44.170 0 414 HOH   AAA O   1 ? 
HETATM 1752 O  O   . HOH   G 6 .   ? -23.052 37.325 -0.456  1.000 35.700 0 415 HOH   AAA O   1 ? 
HETATM 1753 O  O   . HOH   G 6 .   ? -11.232 40.570 -17.472 1.000 26.860 0 416 HOH   AAA O   1 ? 
HETATM 1754 O  O   . HOH   G 6 .   ? -27.198 9.030  1.277   1.000 23.380 0 417 HOH   AAA O   1 ? 
HETATM 1755 O  O   . HOH   G 6 .   ? -10.818 6.522  -7.464  1.000 36.970 0 418 HOH   AAA O   1 ? 
HETATM 1756 O  O   . HOH   G 6 .   ? -26.970 26.467 7.650   1.000 42.250 0 419 HOH   AAA O   1 ? 
HETATM 1757 O  O   . HOH   G 6 .   ? -10.777 40.127 -21.540 1.000 37.800 0 420 HOH   AAA O   1 ? 
HETATM 1758 O  O   . HOH   G 6 .   ? -35.867 20.627 5.128   1.000 44.530 0 421 HOH   AAA O   1 ? 
HETATM 1759 O  O   . HOH   G 6 .   ? -26.700 22.168 -4.111  1.000 30.940 0 422 HOH   AAA O   1 ? 
HETATM 1760 O  O   . HOH   G 6 .   ? -18.236 17.265 -13.156 1.000 16.690 0 423 HOH   AAA O   1 ? 
HETATM 1761 O  O   . HOH   G 6 .   ? -11.944 19.398 -23.142 1.000 46.090 0 424 HOH   AAA O   1 ? 
HETATM 1762 O  O   . HOH   G 6 .   ? -18.322 38.518 4.934   1.000 38.550 0 425 HOH   AAA O   1 ? 
HETATM 1763 O  O   . HOH   G 6 .   ? -24.126 20.681 7.596   1.000 38.190 0 426 HOH   AAA O   1 ? 
HETATM 1764 O  O   . HOH   G 6 .   ? 6.116   21.455 -8.519  1.000 28.250 0 427 HOH   AAA O   1 ? 
HETATM 1765 O  O   . HOH   G 6 .   ? -32.662 16.862 8.814   1.000 50.950 0 428 HOH   AAA O   1 ? 
HETATM 1766 O  O   . HOH   G 6 .   ? -7.967  16.701 -25.429 1.000 46.240 0 429 HOH   AAA O   1 ? 
HETATM 1767 O  O   . HOH   G 6 .   ? -25.482 15.366 -21.836 1.000 41.460 0 430 HOH   AAA O   1 ? 
HETATM 1768 O  O   . HOH   G 6 .   ? -33.385 9.618  -11.334 1.000 29.400 0 431 HOH   AAA O   1 ? 
HETATM 1769 O  O   . HOH   G 6 .   ? -2.795  29.614 8.801   1.000 23.830 0 432 HOH   AAA O   1 ? 
HETATM 1770 O  O   . HOH   G 6 .   ? 4.758   35.110 -4.017  1.000 20.890 0 433 HOH   AAA O   1 ? 
HETATM 1771 O  O   . HOH   G 6 .   ? -19.000 32.114 -0.047  1.000 23.770 0 434 HOH   AAA O   1 ? 
HETATM 1772 O  O   . HOH   G 6 .   ? -12.435 24.266 0.533   1.000 28.200 0 435 HOH   AAA O   1 ? 
HETATM 1773 O  O   . HOH   G 6 .   ? -4.316  30.778 0.729   1.000 20.080 0 436 HOH   AAA O   1 ? 
HETATM 1774 O  O   . HOH   G 6 .   ? 2.902   41.702 7.429   1.000 17.730 0 437 HOH   AAA O   1 ? 
HETATM 1775 O  O   . HOH   G 6 .   ? -13.127 6.007  -9.480  1.000 36.230 0 438 HOH   AAA O   1 ? 
HETATM 1776 O  O   . HOH   G 6 .   ? -9.512  19.917 -22.152 1.000 29.520 0 439 HOH   AAA O   1 ? 
HETATM 1777 O  O   . HOH   G 6 .   ? 1.475   34.914 2.292   1.000 19.580 0 440 HOH   AAA O   1 ? 
HETATM 1778 O  O   . HOH   G 6 .   ? -21.647 14.802 -15.043 1.000 18.580 0 441 HOH   AAA O   1 ? 
HETATM 1779 O  O   . HOH   G 6 .   ? -12.841 8.845  -3.992  1.000 19.860 0 442 HOH   AAA O   1 ? 
HETATM 1780 O  O   . HOH   G 6 .   ? -29.753 18.586 -6.351  1.000 21.440 0 443 HOH   AAA O   1 ? 
HETATM 1781 O  O   . HOH   G 6 .   ? -7.713  30.704 4.818   1.000 21.530 0 444 HOH   AAA O   1 ? 
HETATM 1782 O  O   . HOH   G 6 .   ? -17.140 9.717  -19.610 1.000 35.570 0 445 HOH   AAA O   1 ? 
HETATM 1783 O  O   . HOH   G 6 .   ? -4.850  32.604 4.011   1.000 16.850 0 446 HOH   AAA O   1 ? 
HETATM 1784 O  O   . HOH   G 6 .   ? -13.162 25.030 -19.947 1.000 26.740 0 447 HOH   AAA O   1 ? 
HETATM 1785 O  O   . HOH   G 6 .   ? 9.229   22.979 -4.299  1.000 42.420 0 448 HOH   AAA O   1 ? 
HETATM 1786 O  O   . HOH   G 6 .   ? -11.407 11.454 -3.795  1.000 23.500 0 449 HOH   AAA O   1 ? 
HETATM 1787 O  O   . HOH   G 6 .   ? -3.891  19.247 -20.084 1.000 27.880 0 450 HOH   AAA O   1 ? 
HETATM 1788 O  O   . HOH   G 6 .   ? -27.535 12.381 -20.360 1.000 43.770 0 451 HOH   AAA O   1 ? 
HETATM 1789 O  O   . HOH   G 6 .   ? -15.862 13.500 -13.899 1.000 22.150 0 452 HOH   AAA O   1 ? 
HETATM 1790 O  O   . HOH   G 6 .   ? -6.797  39.577 -6.282  1.000 40.390 0 453 HOH   AAA O   1 ? 
HETATM 1791 O  O   . HOH   G 6 .   ? -24.306 3.868  -1.759  1.000 43.890 0 454 HOH   AAA O   1 ? 
HETATM 1792 O  O   . HOH   G 6 .   ? -32.047 11.951 -7.406  1.000 25.490 0 455 HOH   AAA O   1 ? 
HETATM 1793 O  O   . HOH   G 6 .   ? -20.147 33.803 9.771   1.000 35.890 0 456 HOH   AAA O   1 ? 
HETATM 1794 O  O   . HOH   G 6 .   ? -17.630 30.626 -11.689 1.000 40.470 0 457 HOH   AAA O   1 ? 
HETATM 1795 O  O   . HOH   G 6 .   ? -12.486 38.580 -18.939 1.000 24.010 0 458 HOH   AAA O   1 ? 
HETATM 1796 O  O   . HOH   G 6 .   ? 6.870   27.329 -11.930 1.000 24.130 0 459 HOH   AAA O   1 ? 
HETATM 1797 O  O   . HOH   G 6 .   ? -5.964  37.226 -21.493 1.000 31.590 0 460 HOH   AAA O   1 ? 
HETATM 1798 O  O   . HOH   G 6 .   ? -31.627 13.703 -3.823  1.000 20.560 0 461 HOH   AAA O   1 ? 
HETATM 1799 O  O   . HOH   G 6 .   ? -6.144  34.785 11.708  1.000 40.620 0 462 HOH   AAA O   1 ? 
HETATM 1800 O  O   . HOH   G 6 .   ? -27.647 21.473 -6.611  1.000 21.740 0 463 HOH   AAA O   1 ? 
HETATM 1801 O  O   . HOH   G 6 .   ? -26.069 31.589 3.162   1.000 27.120 0 464 HOH   AAA O   1 ? 
HETATM 1802 O  O   . HOH   G 6 .   ? -14.187 27.519 -3.547  1.000 17.600 0 465 HOH   AAA O   1 ? 
HETATM 1803 O  O   . HOH   G 6 .   ? -32.782 19.751 -2.000  1.000 30.250 0 466 HOH   AAA O   1 ? 
HETATM 1804 O  O   . HOH   G 6 .   ? -12.244 28.926 10.473  1.000 42.710 0 467 HOH   AAA O   1 ? 
HETATM 1805 O  O   . HOH   G 6 .   ? -13.994 35.671 -17.988 1.000 46.610 0 468 HOH   AAA O   1 ? 
HETATM 1806 O  O   . HOH   G 6 .   ? -20.825 9.325  -5.734  1.000 24.650 0 469 HOH   AAA O   1 ? 
HETATM 1807 O  O   . HOH   G 6 .   ? -17.239 5.195  -15.259 1.000 35.410 0 470 HOH   AAA O   1 ? 
HETATM 1808 O  O   . HOH   G 6 .   ? -10.185 11.562 3.575   1.000 42.150 0 471 HOH   AAA O   1 ? 
HETATM 1809 O  O   . HOH   G 6 .   ? 0.036   44.610 1.596   1.000 32.310 0 472 HOH   AAA O   1 ? 
HETATM 1810 O  O   . HOH   G 6 .   ? -19.894 36.156 6.803   1.000 37.550 0 473 HOH   AAA O   1 ? 
HETATM 1811 O  O   . HOH   G 6 .   ? -22.244 31.012 3.884   1.000 26.700 0 474 HOH   AAA O   1 ? 
HETATM 1812 O  O   . HOH   G 6 .   ? 2.588   46.602 3.793   1.000 16.210 0 475 HOH   AAA O   1 ? 
HETATM 1813 O  O   . HOH   G 6 .   ? -33.437 19.512 7.893   1.000 37.410 0 476 HOH   AAA O   1 ? 
HETATM 1814 O  O   . HOH   G 6 .   ? -32.950 24.473 -10.898 1.000 26.610 0 477 HOH   AAA O   1 ? 
HETATM 1815 O  O   . HOH   G 6 .   ? -26.993 20.168 2.408   1.000 23.150 0 478 HOH   AAA O   1 ? 
HETATM 1816 O  O   . HOH   G 6 .   ? -25.388 18.368 3.848   1.000 22.170 0 479 HOH   AAA O   1 ? 
HETATM 1817 O  O   . HOH   G 6 .   ? -12.025 17.854 6.943   1.000 37.690 0 480 HOH   AAA O   1 ? 
HETATM 1818 O  O   . HOH   G 6 .   ? -15.956 16.019 -12.769 1.000 22.740 0 481 HOH   AAA O   1 ? 
HETATM 1819 O  O   . HOH   G 6 .   ? -6.748  36.368 -8.364  1.000 19.130 0 482 HOH   AAA O   1 ? 
HETATM 1820 O  O   . HOH   G 6 .   ? -6.759  37.291 -14.424 1.000 23.490 0 483 HOH   AAA O   1 ? 
HETATM 1821 O  O   . HOH   G 6 .   ? 5.904   22.342 -3.636  1.000 35.150 0 484 HOH   AAA O   1 ? 
HETATM 1822 O  O   . HOH   G 6 .   ? -14.340 16.140 7.645   1.000 42.830 0 485 HOH   AAA O   1 ? 
HETATM 1823 O  O   . HOH   G 6 .   ? -4.753  37.145 -16.464 1.000 28.810 0 486 HOH   AAA O   1 ? 
HETATM 1824 O  O   . HOH   G 6 .   ? 0.645   8.687  -13.136 1.000 36.180 0 487 HOH   AAA O   1 ? 
HETATM 1825 O  O   . HOH   G 6 .   ? 7.773   33.424 3.736   1.000 30.870 0 488 HOH   AAA O   1 ? 
HETATM 1826 O  O   . HOH   G 6 .   ? -20.825 24.486 -12.954 1.000 28.720 0 489 HOH   AAA O   1 ? 
HETATM 1827 O  O   . HOH   G 6 .   ? -29.399 15.939 -16.357 1.000 25.640 0 490 HOH   AAA O   1 ? 
HETATM 1828 O  O   . HOH   G 6 .   ? -13.956 31.276 -19.062 1.000 48.030 0 491 HOH   AAA O   1 ? 
HETATM 1829 O  O   . HOH   G 6 .   ? 0.694   41.346 -0.479  1.000 27.260 0 492 HOH   AAA O   1 ? 
HETATM 1830 O  O   . HOH   G 6 .   ? -6.024  31.316 11.003  1.000 29.460 0 493 HOH   AAA O   1 ? 
HETATM 1831 O  O   . HOH   G 6 .   ? -29.038 32.945 1.547   1.000 43.500 0 494 HOH   AAA O   1 ? 
HETATM 1832 O  O   . HOH   G 6 .   ? -6.306  32.951 -1.127  1.000 16.160 0 495 HOH   AAA O   1 ? 
HETATM 1833 O  O   . HOH   G 6 .   ? -6.742  31.670 2.172   1.000 16.860 0 496 HOH   AAA O   1 ? 
HETATM 1834 O  O   . HOH   G 6 .   ? -25.699 15.617 -15.132 1.000 23.650 0 497 HOH   AAA O   1 ? 
HETATM 1835 O  O   . HOH   G 6 .   ? -25.839 16.746 -17.787 1.000 47.020 0 498 HOH   AAA O   1 ? 
HETATM 1836 O  O   . HOH   G 6 .   ? -2.095  23.862 4.240   1.000 34.140 0 499 HOH   AAA O   1 ? 
HETATM 1837 O  O   . HOH   G 6 .   ? -14.359 30.326 -4.224  1.000 22.070 0 500 HOH   AAA O   1 ? 
HETATM 1838 O  O   . HOH   G 6 .   ? -7.509  38.893 -9.053  1.000 35.520 0 501 HOH   AAA O   1 ? 
HETATM 1839 O  O   . HOH   G 6 .   ? -7.766  10.712 -16.050 1.000 33.160 0 502 HOH   AAA O   1 ? 
HETATM 1840 O  O   . HOH   G 6 .   ? -18.923 8.305  -2.784  1.000 23.300 0 503 HOH   AAA O   1 ? 
HETATM 1841 O  O   . HOH   G 6 .   ? 3.049   37.135 2.744   1.000 28.060 0 504 HOH   AAA O   1 ? 
HETATM 1842 O  O   . HOH   G 6 .   ? -12.199 40.321 -7.126  1.000 38.590 0 505 HOH   AAA O   1 ? 
HETATM 1843 O  O   . HOH   G 6 .   ? -9.009  33.199 4.938   1.000 16.290 0 506 HOH   AAA O   1 ? 
HETATM 1844 O  O   . HOH   G 6 .   ? -7.696  27.364 -21.073 1.000 31.630 0 507 HOH   AAA O   1 ? 
HETATM 1845 O  O   . HOH   G 6 .   ? -20.913 10.313 -3.311  1.000 23.080 0 508 HOH   AAA O   1 ? 
HETATM 1846 O  O   . HOH   G 6 .   ? -32.914 22.104 0.250   1.000 48.150 0 509 HOH   AAA O   1 ? 
HETATM 1847 O  O   . HOH   G 6 .   ? -31.833 15.099 7.379   1.000 39.620 0 510 HOH   AAA O   1 ? 
HETATM 1848 O  O   . HOH   G 6 .   ? -13.897 27.567 -19.835 1.000 36.740 0 511 HOH   AAA O   1 ? 
HETATM 1849 O  O   . HOH   G 6 .   ? -14.534 30.031 -16.840 1.000 45.310 0 512 HOH   AAA O   1 ? 
HETATM 1850 O  O   . HOH   G 6 .   ? 3.529   35.979 -10.519 1.000 23.860 0 513 HOH   AAA O   1 ? 
HETATM 1851 O  O   . HOH   G 6 .   ? 3.039   27.133 4.902   1.000 26.840 0 514 HOH   AAA O   1 ? 
HETATM 1852 O  O   . HOH   G 6 .   ? 1.324   39.786 -4.655  1.000 26.000 0 515 HOH   AAA O   1 ? 
HETATM 1853 O  O   . HOH   G 6 .   ? -19.232 25.861 8.622   1.000 57.690 0 516 HOH   AAA O   1 ? 
HETATM 1854 O  O   . HOH   G 6 .   ? 8.529   26.093 -13.947 1.000 39.150 0 517 HOH   AAA O   1 ? 
HETATM 1855 O  O   . HOH   G 6 .   ? -11.853 42.384 -11.141 1.000 33.020 0 518 HOH   AAA O   1 ? 
HETATM 1856 O  O   . HOH   G 6 .   ? 1.257   33.620 -18.407 1.000 19.250 0 519 HOH   AAA O   1 ? 
HETATM 1857 O  O   . HOH   G 6 .   ? 5.904   36.268 -1.516  1.000 31.080 0 520 HOH   AAA O   1 ? 
HETATM 1858 O  O   . HOH   G 6 .   ? 0.454   27.496 6.622   1.000 24.710 0 521 HOH   AAA O   1 ? 
HETATM 1859 O  O   . HOH   G 6 .   ? 3.488   23.489 2.215   1.000 27.980 0 522 HOH   AAA O   1 ? 
HETATM 1860 O  O   . HOH   G 6 .   ? -14.665 33.082 -6.499  1.000 38.310 0 523 HOH   AAA O   1 ? 
HETATM 1861 O  O   . HOH   G 6 .   ? -7.871  46.398 -1.426  1.000 47.390 0 524 HOH   AAA O   1 ? 
HETATM 1862 O  O   . HOH   G 6 .   ? -19.723 40.054 1.437   1.000 41.530 0 525 HOH   AAA O   1 ? 
HETATM 1863 O  O   . HOH   G 6 .   ? -16.985 24.725 -20.032 1.000 37.320 0 526 HOH   AAA O   1 ? 
HETATM 1864 O  O   . HOH   G 6 .   ? -30.302 23.719 -12.950 1.000 29.070 0 527 HOH   AAA O   1 ? 
HETATM 1865 O  O   . HOH   G 6 .   ? -4.880  30.409 -22.987 1.000 38.400 0 528 HOH   AAA O   1 ? 
HETATM 1866 O  O   . HOH   G 6 .   ? -12.621 7.633  -16.725 1.000 46.800 0 529 HOH   AAA O   1 ? 
HETATM 1867 O  O   . HOH   G 6 .   ? -22.973 5.880  -11.739 1.000 16.890 0 530 HOH   AAA O   1 ? 
HETATM 1868 O  O   . HOH   G 6 .   ? -5.318  22.753 -21.241 1.000 35.910 0 531 HOH   AAA O   1 ? 
HETATM 1869 O  O   . HOH   G 6 .   ? -9.820  34.166 -26.514 1.000 46.110 0 532 HOH   AAA O   1 ? 
HETATM 1870 O  O   . HOH   G 6 .   ? 10.209  29.668 -8.273  1.000 38.030 0 533 HOH   AAA O   1 ? 
HETATM 1871 O  O   . HOH   G 6 .   ? -11.718 42.540 -14.014 1.000 28.110 0 534 HOH   AAA O   1 ? 
HETATM 1872 O  O   . HOH   G 6 .   ? 3.512   32.985 -10.218 1.000 38.030 0 535 HOH   AAA O   1 ? 
HETATM 1873 O  O   . HOH   G 6 .   ? 1.182   34.640 6.946   1.000 20.820 0 536 HOH   AAA O   1 ? 
HETATM 1874 O  O   . HOH   G 6 .   ? -17.846 34.696 -11.615 1.000 27.980 0 537 HOH   AAA O   1 ? 
HETATM 1875 O  O   . HOH   G 6 .   ? -30.829 34.581 -2.509  1.000 36.160 0 538 HOH   AAA O   1 ? 
HETATM 1876 O  O   . HOH   G 6 .   ? -16.527 27.101 -18.942 1.000 44.850 0 539 HOH   AAA O   1 ? 
HETATM 1877 O  O   . HOH   G 6 .   ? -24.009 21.107 -2.022  1.000 39.940 0 540 HOH   AAA O   1 ? 
HETATM 1878 O  O   . HOH   G 6 .   ? -32.084 18.698 -11.639 1.000 26.590 0 541 HOH   AAA O   1 ? 
HETATM 1879 O  O   . HOH   G 6 .   ? 6.443   33.936 -5.350  1.000 32.060 0 542 HOH   AAA O   1 ? 
HETATM 1880 O  O   . HOH   G 6 .   ? -21.638 24.161 8.316   1.000 27.460 0 543 HOH   AAA O   1 ? 
HETATM 1881 O  O   . HOH   G 6 .   ? -8.674  38.583 -28.388 1.000 34.540 0 544 HOH   AAA O   1 ? 
HETATM 1882 O  O   . HOH   G 6 .   ? -8.916  39.684 5.461   1.000 23.030 0 545 HOH   AAA O   1 ? 
HETATM 1883 O  O   . HOH   G 6 .   ? 3.853   20.197 -1.152  1.000 48.650 0 546 HOH   AAA O   1 ? 
HETATM 1884 O  O   . HOH   G 6 .   ? -6.151  19.874 6.159   1.000 44.730 0 547 HOH   AAA O   1 ? 
HETATM 1885 O  O   . HOH   G 6 .   ? -30.596 30.810 -1.922  1.000 31.480 0 548 HOH   AAA O   1 ? 
HETATM 1886 O  O   . HOH   G 6 .   ? -39.529 16.570 5.931   1.000 37.590 0 549 HOH   AAA O   1 ? 
HETATM 1887 O  O   . HOH   G 6 .   ? -11.407 33.521 -24.313 1.000 40.230 0 550 HOH   AAA O   1 ? 
HETATM 1888 O  O   . HOH   G 6 .   ? -31.017 24.222 6.280   1.000 44.720 0 551 HOH   AAA O   1 ? 
HETATM 1889 O  O   . HOH   G 6 .   ? -18.495 12.576 -21.409 1.000 37.560 0 552 HOH   AAA O   1 ? 
HETATM 1890 O  O   . HOH   G 6 .   ? -18.748 18.702 -26.758 1.000 41.990 0 553 HOH   AAA O   1 ? 
HETATM 1891 O  O   . HOH   G 6 .   ? -29.344 12.128 4.506   1.000 49.640 0 554 HOH   AAA O   1 ? 
HETATM 1892 O  O   . HOH   G 6 .   ? 3.890   34.187 8.325   1.000 24.090 0 555 HOH   AAA O   1 ? 
HETATM 1893 O  O   . HOH   G 6 .   ? -26.885 15.636 7.051   1.000 38.210 0 556 HOH   AAA O   1 ? 
HETATM 1894 O  O   . HOH   G 6 .   ? -6.336  9.438  -13.955 1.000 31.410 0 557 HOH   AAA O   1 ? 
HETATM 1895 O  O   . HOH   G 6 .   ? -3.198  31.328 -25.271 1.000 44.680 0 558 HOH   AAA O   1 ? 
HETATM 1896 O  O   . HOH   G 6 .   ? -17.297 24.120 8.637   1.000 51.820 0 559 HOH   AAA O   1 ? 
HETATM 1897 O  O   . HOH   G 6 .   ? -20.058 13.857 -31.510 1.000 51.610 0 560 HOH   AAA O   1 ? 
HETATM 1898 O  O   . HOH   G 6 .   ? 5.759   19.697 -10.079 1.000 58.030 0 561 HOH   AAA O   1 ? 
HETATM 1899 O  O   . HOH   G 6 .   ? -2.992  16.027 -20.318 1.000 31.290 0 562 HOH   AAA O   1 ? 
HETATM 1900 O  O   . HOH   G 6 .   ? -28.379 27.573 5.863   1.000 52.760 0 563 HOH   AAA O   1 ? 
HETATM 1901 O  O   . HOH   G 6 .   ? -16.430 8.454  8.335   1.000 72.410 0 564 HOH   AAA O   1 ? 
HETATM 1902 O  O   . HOH   G 6 .   ? -13.698 35.523 11.392  1.000 43.770 0 565 HOH   AAA O   1 ? 
HETATM 1903 O  O   . HOH   G 6 .   ? -29.284 11.633 6.908   1.000 39.550 0 566 HOH   AAA O   1 ? 
HETATM 1904 O  O   . HOH   G 6 .   ? -30.585 8.741  -2.153  1.000 40.100 0 567 HOH   AAA O   1 ? 
HETATM 1905 O  O   . HOH   G 6 .   ? -7.426  24.723 -20.981 1.000 46.160 0 568 HOH   AAA O   1 ? 
HETATM 1906 O  O   . HOH   G 6 .   ? 9.266   28.306 -11.351 1.000 47.550 0 569 HOH   AAA O   1 ? 
HETATM 1907 O  O   . HOH   G 6 .   ? -14.998 33.840 12.255  1.000 47.540 0 570 HOH   AAA O   1 ? 
HETATM 1908 O  O   . HOH   G 6 .   ? 8.888   22.948 -17.470 1.000 35.520 0 571 HOH   AAA O   1 ? 
HETATM 1909 O  O   . HOH   G 6 .   ? -20.909 7.173  -18.040 1.000 34.240 0 572 HOH   AAA O   1 ? 
HETATM 1910 O  O   . HOH   G 6 .   ? -26.811 1.840  -1.657  1.000 44.590 0 573 HOH   AAA O   1 ? 
HETATM 1911 O  O   . HOH   G 6 .   ? -10.182 9.211  -16.830 1.000 41.440 0 574 HOH   AAA O   1 ? 
HETATM 1912 O  O   . HOH   G 6 .   ? -16.054 12.872 -22.434 1.000 55.640 0 575 HOH   AAA O   1 ? 
HETATM 1913 O  O   . HOH   G 6 .   ? 3.534   37.091 -5.352  1.000 44.900 0 576 HOH   AAA O   1 ? 
HETATM 1914 O  O   . HOH   G 6 .   ? -9.684  28.199 -22.535 1.000 56.550 0 577 HOH   AAA O   1 ? 
HETATM 1915 O  O   . HOH   G 6 .   ? -9.521  43.563 -4.975  1.000 51.290 0 578 HOH   AAA O   1 ? 
HETATM 1916 O  O   . HOH   G 6 .   ? -4.842  37.834 -24.166 1.000 29.290 0 579 HOH   AAA O   1 ? 
HETATM 1917 O  O   . HOH   G 6 .   ? -1.253  35.054 -17.982 1.000 22.760 0 580 HOH   AAA O   1 ? 
HETATM 1918 O  O   . HOH   G 6 .   ? -32.698 22.442 -12.119 1.000 36.990 0 581 HOH   AAA O   1 ? 
HETATM 1919 O  O   . HOH   G 6 .   ? -7.103  20.366 -23.043 1.000 50.580 0 582 HOH   AAA O   1 ? 
HETATM 1920 O  O   . HOH   G 6 .   ? -9.615  31.713 -24.397 1.000 42.180 0 583 HOH   AAA O   1 ? 
HETATM 1921 O  O   . HOH   G 6 .   ? -35.654 24.948 -11.069 1.000 42.780 0 584 HOH   AAA O   1 ? 
HETATM 1922 O  O   . HOH   G 6 .   ? -27.140 21.201 9.426   1.000 41.310 0 585 HOH   AAA O   1 ? 
HETATM 1923 O  O   . HOH   G 6 .   ? -12.516 42.262 -5.207  1.000 54.340 0 586 HOH   AAA O   1 ? 
HETATM 1924 O  O   . HOH   G 6 .   ? -0.930  37.754 -14.090 1.000 22.930 0 587 HOH   AAA O   1 ? 
HETATM 1925 O  O   . HOH   G 6 .   ? -5.020  27.643 -22.113 1.000 33.780 0 588 HOH   AAA O   1 ? 
HETATM 1926 O  O   . HOH   G 6 .   ? -7.959  22.702 10.316  1.000 44.020 0 589 HOH   AAA O   1 ? 
HETATM 1927 O  O   . HOH   G 6 .   ? -2.225  37.178 -19.332 1.000 19.810 0 590 HOH   AAA O   1 ? 
HETATM 1928 O  O   . HOH   G 6 .   ? -22.017 36.263 4.835   1.000 39.500 0 591 HOH   AAA O   1 ? 
HETATM 1929 O  O   . HOH   G 6 .   ? 10.052  20.584 -16.959 1.000 45.750 0 592 HOH   AAA O   1 ? 
HETATM 1930 O  O   . HOH   G 6 .   ? -3.314  31.329 10.948  1.000 29.070 0 593 HOH   AAA O   1 ? 
HETATM 1931 O  O   . HOH   G 6 .   ? 2.714   40.038 -14.192 1.000 26.720 0 594 HOH   AAA O   1 ? 
HETATM 1932 O  O   . HOH   G 6 .   ? 0.700   38.838 -15.864 1.000 28.840 0 595 HOH   AAA O   1 ? 
HETATM 1933 O  O   . HOH   G 6 .   ? -2.436  20.685 -21.400 1.000 51.820 0 596 HOH   AAA O   1 ? 
HETATM 1934 O  O   . HOH   G 6 .   ? -37.203 19.596 3.532   1.000 54.000 0 597 HOH   AAA O   1 ? 
HETATM 1935 O  O   . HOH   G 6 .   ? -20.405 24.802 -15.227 1.000 34.980 0 598 HOH   AAA O   1 ? 
HETATM 1936 O  O   . HOH   G 6 .   ? -1.386  26.035 -22.910 1.000 40.790 0 599 HOH   AAA O   1 ? 
HETATM 1937 O  O   . HOH   G 6 .   ? -30.157 23.150 8.157   1.000 49.010 0 600 HOH   AAA O   1 ? 
HETATM 1938 O  O   . HOH   G 6 .   ? -25.929 17.850 6.560   1.000 33.650 0 601 HOH   AAA O   1 ? 
HETATM 1939 O  O   . HOH   G 6 .   ? -8.156  10.743 5.067   1.000 58.650 0 602 HOH   AAA O   1 ? 
HETATM 1940 O  O   . HOH   G 6 .   ? -0.260  25.268 5.909   1.000 28.960 0 603 HOH   AAA O   1 ? 
HETATM 1941 O  O   . HOH   G 6 .   ? -3.119  27.126 9.845   1.000 32.380 0 604 HOH   AAA O   1 ? 
HETATM 1942 O  O   . HOH   G 6 .   ? -39.090 18.535 4.394   1.000 38.720 0 605 HOH   AAA O   1 ? 
HETATM 1943 O  O   . HOH   G 6 .   ? -24.139 28.556 11.003  1.000 54.730 0 606 HOH   AAA O   1 ? 
HETATM 1944 O  O   . HOH   G 6 .   ? 1.016   41.771 -6.318  1.000 50.160 0 607 HOH   AAA O   1 ? 
HETATM 1945 O  O   . HOH   G 6 .   ? -6.368  28.673 12.233  1.000 40.600 0 608 HOH   AAA O   1 ? 
HETATM 1946 O  O   . HOH   G 6 .   ? -0.130  42.148 -9.486  1.000 53.090 0 609 HOH   AAA O   1 ? 
HETATM 1947 O  O   . HOH   G 6 .   ? -2.460  30.404 13.539  1.000 34.480 0 610 HOH   AAA O   1 ? 
HETATM 1948 O  O   . HOH   G 6 .   ? -1.949  24.561 8.013   1.000 49.980 0 611 HOH   AAA O   1 ? 
# 
