data_9GCD
# 
_entry.id   9GCD 
# 
_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   9GCD         pdb_00009gcd 10.2210/pdb9gcd/pdb 
WWPDB D_1292140765 ?            ?                   
# 
_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                        9GCD 
_pdbx_database_status.recvd_initial_deposition_date   2024-08-01 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB . 9GBH unspecified 
PDB . 9GC1 unspecified 
PDB . 9GC9 unspecified 
PDB . 9GCC unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              martina.schaefer@nuvisan.com 
_pdbx_contact_author.name_first         Martina 
_pdbx_contact_author.name_last          Schaefer 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-3640-6435 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Schaefer, M.'  1 0000-0003-3640-6435 
'Fuerstner, C.' 2 0000-0001-7370-5341 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Med.Chem. 
_citation.journal_id_ASTM           JMCMAR 
_citation.journal_id_CSD            0151 
_citation.journal_id_ISSN           0022-2623 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
;Discovery and Preclinical Characterization of Fulacimstat (BAY 1142524), a Potent and Selective Chymase Inhibitor As a New Profibrinolytic Approach for Safe Thrombus Resolution.
;
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.jmedchem.4c01819 
_citation.pdbx_database_id_PubMed   39541507 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Furstner, C.'        1  0000-0001-7370-5341 
primary 'Ackerstaff, J.'      2  ?                   
primary 'Meier, H.'           3  ?                   
primary 'Straub, A.'          4  ?                   
primary 'Mittendorf, J.'      5  ?                   
primary 'Schamberger, J.'     6  ?                   
primary 'Schafer, M.'         7  ?                   
primary 'Borngen, K.'         8  ?                   
primary 'Jorissen, H.'        9  ?                   
primary 'Zubov, D.'           10 ?                   
primary 'Zimmermann, K.'      11 ?                   
primary 'Tersteegen, A.'      12 ?                   
primary 'Geiss, V.'           13 ?                   
primary 'Hartmann, E.'        14 ?                   
primary 'Albrecht-Kupper, B.' 15 ?                   
primary 
;D'Orleans-Juste, P.
;
16 ?                   
primary 'Lapointe, C.'        17 ?                   
primary 'Vincent, L.'         18 ?                   
primary 'Heitmeier, S.'       19 ?                   
primary 'Tinel, H.'           20 ?                   
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man Chymase 25019.871 1   3.4.21.39 'F127K, V208A, R235Q' ? ? 
2 branched    man 
;alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
;
748.682   1   ?         ?                     ? ? 
3 branched    man '2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose' 424.401   1   ? ? ? ? 
4 non-polymer syn 
;1-(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)-2,4-bis(oxidanylidene)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
;
487.385   1   ?         ?                     ? ? 
5 non-polymer syn 'ZINC ION' 65.409    1   ?         ?                     ? ? 
6 water       nat water 18.015    252 ?         ?                     ? ? 
# 
_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 
4 
;1-(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)-2,4-bis(oxidanylidene)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
;
A1IJ2 
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                   ? 
# 
loop_
_pdbx_entity_branch.entity_id 
_pdbx_entity_branch.type 
2 oligosaccharide 
3 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 DManpa1-6DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROH                                                        
'Glycam Condensed Sequence' GMML       1.0   
2 2 'WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c6-d1' WURCS PDB2Glycan 1.1.0 
3 2 '[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][a-D-Manp]{}}}}'               LINUCS PDB-CARE   ?     
4 3 DGlcpNAcb1-4DGlcpNAcb1-ROH                                                                          
'Glycam Condensed Sequence' GMML       1.0   
5 3 'WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1'                                               WURCS PDB2Glycan 1.1.0 
6 3 '[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}'                                                     LINUCS PDB-CARE   ?     
# 
loop_
_pdbx_entity_branch_link.link_id 
_pdbx_entity_branch_link.entity_id 
_pdbx_entity_branch_link.entity_branch_list_num_1 
_pdbx_entity_branch_link.comp_id_1 
_pdbx_entity_branch_link.atom_id_1 
_pdbx_entity_branch_link.leaving_atom_id_1 
_pdbx_entity_branch_link.entity_branch_list_num_2 
_pdbx_entity_branch_link.comp_id_2 
_pdbx_entity_branch_link.atom_id_2 
_pdbx_entity_branch_link.leaving_atom_id_2 
_pdbx_entity_branch_link.value_order 
_pdbx_entity_branch_link.details 
1 2 2 NAG C1 O1 1 NAG O4 HO4 sing ? 
2 2 3 BMA C1 O1 2 NAG O4 HO4 sing ? 
3 2 4 MAN C1 O1 3 BMA O6 HO6 sing ? 
4 3 2 NAG C1 O1 1 NAG O4 HO4 sing ? 
# 
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 
A1IJ2 non-polymer                   . 
;1-(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)-2,4-bis(oxidanylidene)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
;
? 'C23 H16 F3 N3 O6' 487.385 
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 
BMA   'D-saccharide, beta linking'  . beta-D-mannopyranose 'beta-D-mannose; D-mannose; mannose' 'C6 H12 O6'        180.156 
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 
MAN   'D-saccharide, alpha linking' . alpha-D-mannopyranose 'alpha-D-mannose; D-mannose; mannose' 'C6 H12 O6'        180.156 
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 
BMA 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DManpb                         
BMA 'COMMON NAME'                         GMML     1.0 b-D-mannopyranose              
BMA 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 b-D-Manp                       
BMA 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 Man                            
MAN 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DManpa                         
MAN 'COMMON NAME'                         GMML     1.0 a-D-mannopyranose              
MAN 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 a-D-Manp                       
MAN 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 Man                            
NAG 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DGlcpNAcb                      
NAG 'COMMON NAME'                         GMML     1.0 N-acetyl-b-D-glucopyranosamine 
NAG 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 b-D-GlcpNAc                    
NAG 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 GlcNAc                         
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   ILE 1   16  16  ILE ILE AAA . n 
A 1 2   ILE 2   17  17  ILE ILE AAA . n 
A 1 3   GLY 3   18  18  GLY GLY AAA . n 
A 1 4   GLY 4   19  19  GLY GLY AAA . n 
A 1 5   THR 5   20  20  THR THR AAA . n 
A 1 6   GLU 6   21  21  GLU GLU AAA . n 
A 1 7   CYS 7   22  22  CYS CYS AAA . n 
A 1 8   LYS 8   23  23  LYS LYS AAA . n 
A 1 9   PRO 9   24  24  PRO PRO AAA . n 
A 1 10  HIS 10  25  25  HIS HIS AAA . n 
A 1 11  SER 11  26  26  SER SER AAA . n 
A 1 12  ARG 12  27  27  ARG ARG AAA . n 
A 1 13  PRO 13  28  28  PRO PRO AAA . n 
A 1 14  TYR 14  29  29  TYR TYR AAA . n 
A 1 15  MET 15  30  30  MET MET AAA . n 
A 1 16  ALA 16  31  31  ALA ALA AAA . n 
A 1 17  TYR 17  32  32  TYR TYR AAA . n 
A 1 18  LEU 18  33  33  LEU LEU AAA . n 
A 1 19  GLU 19  34  34  GLU GLU AAA . n 
A 1 20  ILE 20  35  35  ILE ILE AAA . n 
A 1 21  VAL 21  36  36  VAL VAL AAA . n 
A 1 22  THR 22  36  36  THR THR AAA A n 
A 1 23  SER 23  36  36  SER SER AAA B n 
A 1 24  ASN 24  36  36  ASN ASN AAA C n 
A 1 25  GLY 25  37  37  GLY GLY AAA . n 
A 1 26  PRO 26  38  38  PRO PRO AAA . n 
A 1 27  SER 27  39  39  SER SER AAA . n 
A 1 28  LYS 28  40  40  LYS LYS AAA . n 
A 1 29  PHE 29  41  41  PHE PHE AAA . n 
A 1 30  CYS 30  42  42  CYS CYS AAA . n 
A 1 31  GLY 31  43  43  GLY GLY AAA . n 
A 1 32  GLY 32  44  44  GLY GLY AAA . n 
A 1 33  PHE 33  45  45  PHE PHE AAA . n 
A 1 34  LEU 34  46  46  LEU LEU AAA . n 
A 1 35  ILE 35  47  47  ILE ILE AAA . n 
A 1 36  ARG 36  48  48  ARG ARG AAA . n 
A 1 37  ARG 37  49  49  ARG ARG AAA . n 
A 1 38  ASN 38  50  50  ASN ASN AAA . n 
A 1 39  PHE 39  51  51  PHE PHE AAA . n 
A 1 40  VAL 40  52  52  VAL VAL AAA . n 
A 1 41  LEU 41  53  53  LEU LEU AAA . n 
A 1 42  THR 42  54  54  THR THR AAA . n 
A 1 43  ALA 43  55  55  ALA ALA AAA . n 
A 1 44  ALA 44  56  56  ALA ALA AAA . n 
A 1 45  HIS 45  57  57  HIS HIS AAA . n 
A 1 46  CYS 46  58  58  CYS CYS AAA . n 
A 1 47  ALA 47  59  59  ALA ALA AAA . n 
A 1 48  GLY 48  60  60  GLY GLY AAA . n 
A 1 49  ARG 49  61  61  ARG ARG AAA . n 
A 1 50  SER 50  63  63  SER SER AAA . n 
A 1 51  ILE 51  64  64  ILE ILE AAA . n 
A 1 52  THR 52  65  65  THR THR AAA . n 
A 1 53  VAL 53  66  66  VAL VAL AAA . n 
A 1 54  THR 54  67  67  THR THR AAA . n 
A 1 55  LEU 55  68  68  LEU LEU AAA . n 
A 1 56  GLY 56  69  69  GLY GLY AAA . n 
A 1 57  ALA 57  70  70  ALA ALA AAA . n 
A 1 58  HIS 58  71  71  HIS HIS AAA . n 
A 1 59  ASN 59  72  72  ASN ASN AAA . n 
A 1 60  ILE 60  73  73  ILE ILE AAA . n 
A 1 61  THR 61  74  74  THR THR AAA . n 
A 1 62  GLU 62  75  75  GLU GLU AAA . n 
A 1 63  GLU 63  77  77  GLU GLU AAA . n 
A 1 64  GLU 64  78  78  GLU GLU AAA . n 
A 1 65  ASP 65  79  79  ASP ASP AAA . n 
A 1 66  THR 66  79  79  THR THR AAA A n 
A 1 67  TRP 67  80  80  TRP TRP AAA . n 
A 1 68  GLN 68  81  81  GLN GLN AAA . n 
A 1 69  LYS 69  82  82  LYS LYS AAA . n 
A 1 70  LEU 70  83  83  LEU LEU AAA . n 
A 1 71  GLU 71  84  84  GLU GLU AAA . n 
A 1 72  VAL 72  85  85  VAL VAL AAA . n 
A 1 73  ILE 73  86  86  ILE ILE AAA . n 
A 1 74  LYS 74  87  87  LYS LYS AAA . n 
A 1 75  GLN 75  88  88  GLN GLN AAA . n 
A 1 76  PHE 76  89  89  PHE PHE AAA . n 
A 1 77  ARG 77  90  90  ARG ARG AAA . n 
A 1 78  HIS 78  91  91  HIS HIS AAA . n 
A 1 79  PRO 79  92  92  PRO PRO AAA . n 
A 1 80  LYS 80  93  93  LYS LYS AAA . n 
A 1 81  TYR 81  94  94  TYR TYR AAA . n 
A 1 82  ASN 82  95  95  ASN ASN AAA . n 
A 1 83  THR 83  96  96  THR THR AAA . n 
A 1 84  SER 84  97  97  SER SER AAA . n 
A 1 85  THR 85  98  98  THR THR AAA . n 
A 1 86  LEU 86  99  99  LEU LEU AAA . n 
A 1 87  HIS 87  100 100 HIS HIS AAA . n 
A 1 88  HIS 88  101 101 HIS HIS AAA . n 
A 1 89  ASP 89  102 102 ASP ASP AAA . n 
A 1 90  ILE 90  103 103 ILE ILE AAA . n 
A 1 91  MET 91  104 104 MET MET AAA . n 
A 1 92  LEU 92  105 105 LEU LEU AAA . n 
A 1 93  LEU 93  106 106 LEU LEU AAA . n 
A 1 94  LYS 94  107 107 LYS LYS AAA . n 
A 1 95  LEU 95  108 108 LEU LEU AAA . n 
A 1 96  LYS 96  109 109 LYS LYS AAA . n 
A 1 97  GLU 97  110 110 GLU GLU AAA . n 
A 1 98  LYS 98  111 111 LYS LYS AAA . n 
A 1 99  ALA 99  112 112 ALA ALA AAA . n 
A 1 100 SER 100 113 113 SER SER AAA . n 
A 1 101 LEU 101 114 114 LEU LEU AAA . n 
A 1 102 THR 102 115 115 THR THR AAA . n 
A 1 103 LEU 103 116 116 LEU LEU AAA . n 
A 1 104 ALA 104 117 117 ALA ALA AAA . n 
A 1 105 VAL 105 118 118 VAL VAL AAA . n 
A 1 106 GLY 106 119 119 GLY GLY AAA . n 
A 1 107 THR 107 120 120 THR THR AAA . n 
A 1 108 LEU 108 121 121 LEU LEU AAA . n 
A 1 109 PRO 109 122 ?   ?   ?   AAA . n 
A 1 110 PHE 110 123 ?   ?   ?   AAA . n 
A 1 111 PRO 111 124 ?   ?   ?   AAA . n 
A 1 112 SER 112 125 ?   ?   ?   AAA . n 
A 1 113 GLN 113 126 ?   ?   ?   AAA . n 
A 1 114 ARG 114 127 ?   ?   ?   AAA . n 
A 1 115 ASN 115 128 ?   ?   ?   AAA . n 
A 1 116 PHE 116 129 ?   ?   ?   AAA . n 
A 1 117 VAL 117 130 ?   ?   ?   AAA . n 
A 1 118 PRO 118 131 ?   ?   ?   AAA . n 
A 1 119 PRO 119 132 ?   ?   ?   AAA . n 
A 1 120 GLY 120 133 133 GLY GLY AAA . n 
A 1 121 ARG 121 134 134 ARG ARG AAA . n 
A 1 122 MET 122 135 135 MET MET AAA . n 
A 1 123 CYS 123 136 136 CYS CYS AAA . n 
A 1 124 ARG 124 137 137 ARG ARG AAA . n 
A 1 125 VAL 125 138 138 VAL VAL AAA . n 
A 1 126 ALA 126 139 139 ALA ALA AAA . n 
A 1 127 GLY 127 140 140 GLY GLY AAA . n 
A 1 128 TRP 128 141 141 TRP TRP AAA . n 
A 1 129 GLY 129 142 142 GLY GLY AAA . n 
A 1 130 ARG 130 143 143 ARG ARG AAA . n 
A 1 131 THR 131 144 144 THR THR AAA . n 
A 1 132 GLY 132 145 145 GLY GLY AAA . n 
A 1 133 VAL 133 146 146 VAL VAL AAA . n 
A 1 134 LEU 134 147 147 LEU LEU AAA . n 
A 1 135 LYS 135 148 148 LYS LYS AAA . n 
A 1 136 PRO 136 150 150 PRO PRO AAA . n 
A 1 137 GLY 137 151 151 GLY GLY AAA . n 
A 1 138 SER 138 152 152 SER SER AAA . n 
A 1 139 ASP 139 153 153 ASP ASP AAA . n 
A 1 140 THR 140 154 154 THR THR AAA . n 
A 1 141 LEU 141 155 155 LEU LEU AAA . n 
A 1 142 GLN 142 156 156 GLN GLN AAA . n 
A 1 143 GLU 143 157 157 GLU GLU AAA . n 
A 1 144 VAL 144 158 158 VAL VAL AAA . n 
A 1 145 LYS 145 159 159 LYS LYS AAA . n 
A 1 146 LEU 146 160 160 LEU LEU AAA . n 
A 1 147 ARG 147 161 161 ARG ARG AAA . n 
A 1 148 LEU 148 162 162 LEU LEU AAA . n 
A 1 149 MET 149 163 163 MET MET AAA . n 
A 1 150 ASP 150 164 164 ASP ASP AAA . n 
A 1 151 PRO 151 165 165 PRO PRO AAA . n 
A 1 152 GLN 152 166 166 GLN GLN AAA . n 
A 1 153 ALA 153 167 167 ALA ALA AAA . n 
A 1 154 CYS 154 168 168 CYS CYS AAA . n 
A 1 155 SER 155 169 169 SER SER AAA . n 
A 1 156 HIS 156 172 172 HIS HIS AAA . n 
A 1 157 PHE 157 173 173 PHE PHE AAA . n 
A 1 158 ARG 158 174 174 ARG ARG AAA . n 
A 1 159 ASP 159 175 175 ASP ASP AAA . n 
A 1 160 PHE 160 176 176 PHE PHE AAA . n 
A 1 161 ASP 161 177 177 ASP ASP AAA . n 
A 1 162 HIS 162 177 177 HIS HIS AAA A n 
A 1 163 ASN 163 178 178 ASN ASN AAA . n 
A 1 164 LEU 164 179 179 LEU LEU AAA . n 
A 1 165 GLN 165 180 180 GLN GLN AAA . n 
A 1 166 LEU 166 181 181 LEU LEU AAA . n 
A 1 167 CYS 167 182 182 CYS CYS AAA . n 
A 1 168 VAL 168 183 183 VAL VAL AAA . n 
A 1 169 GLY 169 184 184 GLY GLY AAA . n 
A 1 170 ASN 170 185 185 ASN ASN AAA . n 
A 1 171 PRO 171 185 185 PRO PRO AAA A n 
A 1 172 ARG 172 185 185 ARG ARG AAA B n 
A 1 173 LYS 173 186 186 LYS LYS AAA . n 
A 1 174 THR 174 187 187 THR THR AAA . n 
A 1 175 LYS 175 188 188 LYS LYS AAA . n 
A 1 176 SER 176 189 189 SER SER AAA . n 
A 1 177 ALA 177 190 190 ALA ALA AAA . n 
A 1 178 PHE 178 191 191 PHE PHE AAA . n 
A 1 179 LYS 179 192 192 LYS LYS AAA . n 
A 1 180 GLY 180 193 193 GLY GLY AAA . n 
A 1 181 ASP 181 194 194 ASP ASP AAA . n 
A 1 182 SER 182 195 195 SER SER AAA . n 
A 1 183 GLY 183 196 196 GLY GLY AAA . n 
A 1 184 GLY 184 197 197 GLY GLY AAA . n 
A 1 185 PRO 185 198 198 PRO PRO AAA . n 
A 1 186 LEU 186 199 199 LEU LEU AAA . n 
A 1 187 LEU 187 200 200 LEU LEU AAA . n 
A 1 188 CYS 188 201 201 CYS CYS AAA . n 
A 1 189 ALA 189 202 202 ALA ALA AAA . n 
A 1 190 GLY 190 207 207 GLY GLY AAA . n 
A 1 191 ALA 191 208 208 ALA ALA AAA . n 
A 1 192 ALA 192 209 209 ALA ALA AAA . n 
A 1 193 GLN 193 210 210 GLN GLN AAA . n 
A 1 194 GLY 194 211 211 GLY GLY AAA . n 
A 1 195 ILE 195 212 212 ILE ILE AAA . n 
A 1 196 VAL 196 213 213 VAL VAL AAA . n 
A 1 197 SER 197 214 214 SER SER AAA . n 
A 1 198 TYR 198 215 215 TYR TYR AAA . n 
A 1 199 GLY 199 216 216 GLY GLY AAA . n 
A 1 200 ARG 200 217 217 ARG ARG AAA . n 
A 1 201 SER 201 218 218 SER SER AAA . n 
A 1 202 ASP 202 219 219 ASP ASP AAA . n 
A 1 203 ALA 203 220 220 ALA ALA AAA . n 
A 1 204 LYS 204 221 221 LYS LYS AAA . n 
A 1 205 PRO 205 224 224 PRO PRO AAA . n 
A 1 206 PRO 206 225 225 PRO PRO AAA . n 
A 1 207 ALA 207 226 226 ALA ALA AAA . n 
A 1 208 VAL 208 227 227 VAL VAL AAA . n 
A 1 209 PHE 209 228 228 PHE PHE AAA . n 
A 1 210 THR 210 229 229 THR THR AAA . n 
A 1 211 ARG 211 230 230 ARG ARG AAA . n 
A 1 212 ILE 212 231 231 ILE ILE AAA . n 
A 1 213 SER 213 232 232 SER SER AAA . n 
A 1 214 HIS 214 233 233 HIS HIS AAA . n 
A 1 215 TYR 215 234 234 TYR TYR AAA . n 
A 1 216 GLN 216 235 235 GLN GLN AAA . n 
A 1 217 PRO 217 236 236 PRO PRO AAA . n 
A 1 218 TRP 218 237 237 TRP TRP AAA . n 
A 1 219 ILE 219 238 238 ILE ILE AAA . n 
A 1 220 ASN 220 239 239 ASN ASN AAA . n 
A 1 221 GLN 221 240 240 GLN GLN AAA . n 
A 1 222 ILE 222 241 241 ILE ILE AAA . n 
A 1 223 LEU 223 242 242 LEU LEU AAA . n 
A 1 224 GLN 224 243 243 GLN GLN AAA . n 
A 1 225 ALA 225 244 244 ALA ALA AAA . n 
A 1 226 ASN 226 245 245 ASN ASN AAA . n 
# 
loop_
_pdbx_branch_scheme.asym_id 
_pdbx_branch_scheme.entity_id 
_pdbx_branch_scheme.mon_id 
_pdbx_branch_scheme.num 
_pdbx_branch_scheme.pdb_asym_id 
_pdbx_branch_scheme.pdb_mon_id 
_pdbx_branch_scheme.pdb_seq_num 
_pdbx_branch_scheme.auth_asym_id 
_pdbx_branch_scheme.auth_mon_id 
_pdbx_branch_scheme.auth_seq_num 
_pdbx_branch_scheme.hetero 
B 2 NAG 1 AaA NAG 1 AaA NAG 302 n 
B 2 NAG 2 AaA NAG 2 AeA NAG 305 n 
B 2 BMA 3 AaA BMA 3 AfA BMA 306 n 
B 2 MAN 4 AaA MAN 4 AgA MAN 307 n 
C 3 NAG 1 AbA NAG 1 AbA NAG 301 n 
C 3 NAG 2 AbA NAG 2 AcA NAG 303 n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IJ2 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IJ2 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
D 4 A1IJ2 1   301 304 A1IJ2 LIG AAA . 
E 5 ZN    1   302 1   ZN    ZN  AAA . 
F 6 HOH   1   401 252 HOH   HOH AAA . 
F 6 HOH   2   402 230 HOH   HOH AAA . 
F 6 HOH   3   403 132 HOH   HOH AAA . 
F 6 HOH   4   404 178 HOH   HOH AAA . 
F 6 HOH   5   405 225 HOH   HOH AAA . 
F 6 HOH   6   406 206 HOH   HOH AAA . 
F 6 HOH   7   407 79  HOH   HOH AAA . 
F 6 HOH   8   408 169 HOH   HOH AAA . 
F 6 HOH   9   409 141 HOH   HOH AAA . 
F 6 HOH   10  410 11  HOH   HOH AAA . 
F 6 HOH   11  411 246 HOH   HOH AAA . 
F 6 HOH   12  412 88  HOH   HOH AAA . 
F 6 HOH   13  413 192 HOH   HOH AAA . 
F 6 HOH   14  414 148 HOH   HOH AAA . 
F 6 HOH   15  415 200 HOH   HOH AAA . 
F 6 HOH   16  416 233 HOH   HOH AAA . 
F 6 HOH   17  417 242 HOH   HOH AAA . 
F 6 HOH   18  418 152 HOH   HOH AAA . 
F 6 HOH   19  419 196 HOH   HOH AAA . 
F 6 HOH   20  420 174 HOH   HOH AAA . 
F 6 HOH   21  421 185 HOH   HOH AAA . 
F 6 HOH   22  422 76  HOH   HOH AAA . 
F 6 HOH   23  423 191 HOH   HOH AAA . 
F 6 HOH   24  424 182 HOH   HOH AAA . 
F 6 HOH   25  425 232 HOH   HOH AAA . 
F 6 HOH   26  426 37  HOH   HOH AAA . 
F 6 HOH   27  427 118 HOH   HOH AAA . 
F 6 HOH   28  428 213 HOH   HOH AAA . 
F 6 HOH   29  429 92  HOH   HOH AAA . 
F 6 HOH   30  430 31  HOH   HOH AAA . 
F 6 HOH   31  431 52  HOH   HOH AAA . 
F 6 HOH   32  432 189 HOH   HOH AAA . 
F 6 HOH   33  433 205 HOH   HOH AAA . 
F 6 HOH   34  434 135 HOH   HOH AAA . 
F 6 HOH   35  435 149 HOH   HOH AAA . 
F 6 HOH   36  436 164 HOH   HOH AAA . 
F 6 HOH   37  437 77  HOH   HOH AAA . 
F 6 HOH   38  438 117 HOH   HOH AAA . 
F 6 HOH   39  439 99  HOH   HOH AAA . 
F 6 HOH   40  440 25  HOH   HOH AAA . 
F 6 HOH   41  441 253 HOH   HOH AAA . 
F 6 HOH   42  442 18  HOH   HOH AAA . 
F 6 HOH   43  443 110 HOH   HOH AAA . 
F 6 HOH   44  444 202 HOH   HOH AAA . 
F 6 HOH   45  445 229 HOH   HOH AAA . 
F 6 HOH   46  446 186 HOH   HOH AAA . 
F 6 HOH   47  447 6   HOH   HOH AAA . 
F 6 HOH   48  448 244 HOH   HOH AAA . 
F 6 HOH   49  449 4   HOH   HOH AAA . 
F 6 HOH   50  450 65  HOH   HOH AAA . 
F 6 HOH   51  451 250 HOH   HOH AAA . 
F 6 HOH   52  452 203 HOH   HOH AAA . 
F 6 HOH   53  453 183 HOH   HOH AAA . 
F 6 HOH   54  454 32  HOH   HOH AAA . 
F 6 HOH   55  455 94  HOH   HOH AAA . 
F 6 HOH   56  456 14  HOH   HOH AAA . 
F 6 HOH   57  457 48  HOH   HOH AAA . 
F 6 HOH   58  458 26  HOH   HOH AAA . 
F 6 HOH   59  459 98  HOH   HOH AAA . 
F 6 HOH   60  460 116 HOH   HOH AAA . 
F 6 HOH   61  461 157 HOH   HOH AAA . 
F 6 HOH   62  462 235 HOH   HOH AAA . 
F 6 HOH   63  463 187 HOH   HOH AAA . 
F 6 HOH   64  464 234 HOH   HOH AAA . 
F 6 HOH   65  465 195 HOH   HOH AAA . 
F 6 HOH   66  466 190 HOH   HOH AAA . 
F 6 HOH   67  467 137 HOH   HOH AAA . 
F 6 HOH   68  468 19  HOH   HOH AAA . 
F 6 HOH   69  469 38  HOH   HOH AAA . 
F 6 HOH   70  470 27  HOH   HOH AAA . 
F 6 HOH   71  471 96  HOH   HOH AAA . 
F 6 HOH   72  472 218 HOH   HOH AAA . 
F 6 HOH   73  473 111 HOH   HOH AAA . 
F 6 HOH   74  474 121 HOH   HOH AAA . 
F 6 HOH   75  475 10  HOH   HOH AAA . 
F 6 HOH   76  476 82  HOH   HOH AAA . 
F 6 HOH   77  477 211 HOH   HOH AAA . 
F 6 HOH   78  478 29  HOH   HOH AAA . 
F 6 HOH   79  479 63  HOH   HOH AAA . 
F 6 HOH   80  480 36  HOH   HOH AAA . 
F 6 HOH   81  481 83  HOH   HOH AAA . 
F 6 HOH   82  482 130 HOH   HOH AAA . 
F 6 HOH   83  483 61  HOH   HOH AAA . 
F 6 HOH   84  484 43  HOH   HOH AAA . 
F 6 HOH   85  485 163 HOH   HOH AAA . 
F 6 HOH   86  486 193 HOH   HOH AAA . 
F 6 HOH   87  487 128 HOH   HOH AAA . 
F 6 HOH   88  488 216 HOH   HOH AAA . 
F 6 HOH   89  489 17  HOH   HOH AAA . 
F 6 HOH   90  490 81  HOH   HOH AAA . 
F 6 HOH   91  491 95  HOH   HOH AAA . 
F 6 HOH   92  492 55  HOH   HOH AAA . 
F 6 HOH   93  493 3   HOH   HOH AAA . 
F 6 HOH   94  494 131 HOH   HOH AAA . 
F 6 HOH   95  495 90  HOH   HOH AAA . 
F 6 HOH   96  496 237 HOH   HOH AAA . 
F 6 HOH   97  497 101 HOH   HOH AAA . 
F 6 HOH   98  498 133 HOH   HOH AAA . 
F 6 HOH   99  499 9   HOH   HOH AAA . 
F 6 HOH   100 500 127 HOH   HOH AAA . 
F 6 HOH   101 501 35  HOH   HOH AAA . 
F 6 HOH   102 502 241 HOH   HOH AAA . 
F 6 HOH   103 503 136 HOH   HOH AAA . 
F 6 HOH   104 504 73  HOH   HOH AAA . 
F 6 HOH   105 505 78  HOH   HOH AAA . 
F 6 HOH   106 506 214 HOH   HOH AAA . 
F 6 HOH   107 507 24  HOH   HOH AAA . 
F 6 HOH   108 508 134 HOH   HOH AAA . 
F 6 HOH   109 509 28  HOH   HOH AAA . 
F 6 HOH   110 510 50  HOH   HOH AAA . 
F 6 HOH   111 511 221 HOH   HOH AAA . 
F 6 HOH   112 512 194 HOH   HOH AAA . 
F 6 HOH   113 513 147 HOH   HOH AAA . 
F 6 HOH   114 514 34  HOH   HOH AAA . 
F 6 HOH   115 515 179 HOH   HOH AAA . 
F 6 HOH   116 516 69  HOH   HOH AAA . 
F 6 HOH   117 517 21  HOH   HOH AAA . 
F 6 HOH   118 518 106 HOH   HOH AAA . 
F 6 HOH   119 519 22  HOH   HOH AAA . 
F 6 HOH   120 520 204 HOH   HOH AAA . 
F 6 HOH   121 521 39  HOH   HOH AAA . 
F 6 HOH   122 522 188 HOH   HOH AAA . 
F 6 HOH   123 523 139 HOH   HOH AAA . 
F 6 HOH   124 524 168 HOH   HOH AAA . 
F 6 HOH   125 525 113 HOH   HOH AAA . 
F 6 HOH   126 526 53  HOH   HOH AAA . 
F 6 HOH   127 527 42  HOH   HOH AAA . 
F 6 HOH   128 528 44  HOH   HOH AAA . 
F 6 HOH   129 529 142 HOH   HOH AAA . 
F 6 HOH   130 530 15  HOH   HOH AAA . 
F 6 HOH   131 531 104 HOH   HOH AAA . 
F 6 HOH   132 532 86  HOH   HOH AAA . 
F 6 HOH   133 533 33  HOH   HOH AAA . 
F 6 HOH   134 534 40  HOH   HOH AAA . 
F 6 HOH   135 535 85  HOH   HOH AAA . 
F 6 HOH   136 536 89  HOH   HOH AAA . 
F 6 HOH   137 537 215 HOH   HOH AAA . 
F 6 HOH   138 538 23  HOH   HOH AAA . 
F 6 HOH   139 539 47  HOH   HOH AAA . 
F 6 HOH   140 540 16  HOH   HOH AAA . 
F 6 HOH   141 541 66  HOH   HOH AAA . 
F 6 HOH   142 542 67  HOH   HOH AAA . 
F 6 HOH   143 543 239 HOH   HOH AAA . 
F 6 HOH   144 544 13  HOH   HOH AAA . 
F 6 HOH   145 545 138 HOH   HOH AAA . 
F 6 HOH   146 546 56  HOH   HOH AAA . 
F 6 HOH   147 547 249 HOH   HOH AAA . 
F 6 HOH   148 548 2   HOH   HOH AAA . 
F 6 HOH   149 549 114 HOH   HOH AAA . 
F 6 HOH   150 550 46  HOH   HOH AAA . 
F 6 HOH   151 551 251 HOH   HOH AAA . 
F 6 HOH   152 552 7   HOH   HOH AAA . 
F 6 HOH   153 553 87  HOH   HOH AAA . 
F 6 HOH   154 554 51  HOH   HOH AAA . 
F 6 HOH   155 555 62  HOH   HOH AAA . 
F 6 HOH   156 556 1   HOH   HOH AAA . 
F 6 HOH   157 557 171 HOH   HOH AAA . 
F 6 HOH   158 558 254 HOH   HOH AAA . 
F 6 HOH   159 559 71  HOH   HOH AAA . 
F 6 HOH   160 560 54  HOH   HOH AAA . 
F 6 HOH   161 561 58  HOH   HOH AAA . 
F 6 HOH   162 562 176 HOH   HOH AAA . 
F 6 HOH   163 563 105 HOH   HOH AAA . 
F 6 HOH   164 564 20  HOH   HOH AAA . 
F 6 HOH   165 565 126 HOH   HOH AAA . 
F 6 HOH   166 566 184 HOH   HOH AAA . 
F 6 HOH   167 567 112 HOH   HOH AAA . 
F 6 HOH   168 568 212 HOH   HOH AAA . 
F 6 HOH   169 569 166 HOH   HOH AAA . 
F 6 HOH   170 570 60  HOH   HOH AAA . 
F 6 HOH   171 571 97  HOH   HOH AAA . 
F 6 HOH   172 572 162 HOH   HOH AAA . 
F 6 HOH   173 573 165 HOH   HOH AAA . 
F 6 HOH   174 574 12  HOH   HOH AAA . 
F 6 HOH   175 575 201 HOH   HOH AAA . 
F 6 HOH   176 576 140 HOH   HOH AAA . 
F 6 HOH   177 577 227 HOH   HOH AAA . 
F 6 HOH   178 578 75  HOH   HOH AAA . 
F 6 HOH   179 579 70  HOH   HOH AAA . 
F 6 HOH   180 580 72  HOH   HOH AAA . 
F 6 HOH   181 581 144 HOH   HOH AAA . 
F 6 HOH   182 582 49  HOH   HOH AAA . 
F 6 HOH   183 583 64  HOH   HOH AAA . 
F 6 HOH   184 584 5   HOH   HOH AAA . 
F 6 HOH   185 585 122 HOH   HOH AAA . 
F 6 HOH   186 586 119 HOH   HOH AAA . 
F 6 HOH   187 587 103 HOH   HOH AAA . 
F 6 HOH   188 588 240 HOH   HOH AAA . 
F 6 HOH   189 589 159 HOH   HOH AAA . 
F 6 HOH   190 590 74  HOH   HOH AAA . 
F 6 HOH   191 591 8   HOH   HOH AAA . 
F 6 HOH   192 592 197 HOH   HOH AAA . 
F 6 HOH   193 593 123 HOH   HOH AAA . 
F 6 HOH   194 594 167 HOH   HOH AAA . 
F 6 HOH   195 595 84  HOH   HOH AAA . 
F 6 HOH   196 596 120 HOH   HOH AAA . 
F 6 HOH   197 597 30  HOH   HOH AAA . 
F 6 HOH   198 598 100 HOH   HOH AAA . 
F 6 HOH   199 599 248 HOH   HOH AAA . 
F 6 HOH   200 600 245 HOH   HOH AAA . 
F 6 HOH   201 601 145 HOH   HOH AAA . 
F 6 HOH   202 602 155 HOH   HOH AAA . 
F 6 HOH   203 603 170 HOH   HOH AAA . 
F 6 HOH   204 604 109 HOH   HOH AAA . 
F 6 HOH   205 605 102 HOH   HOH AAA . 
F 6 HOH   206 606 91  HOH   HOH AAA . 
F 6 HOH   207 607 57  HOH   HOH AAA . 
F 6 HOH   208 608 158 HOH   HOH AAA . 
F 6 HOH   209 609 198 HOH   HOH AAA . 
F 6 HOH   210 610 224 HOH   HOH AAA . 
F 6 HOH   211 611 180 HOH   HOH AAA . 
F 6 HOH   212 612 80  HOH   HOH AAA . 
F 6 HOH   213 613 207 HOH   HOH AAA . 
F 6 HOH   214 614 68  HOH   HOH AAA . 
F 6 HOH   215 615 161 HOH   HOH AAA . 
F 6 HOH   216 616 172 HOH   HOH AAA . 
F 6 HOH   217 617 41  HOH   HOH AAA . 
F 6 HOH   218 618 156 HOH   HOH AAA . 
F 6 HOH   219 619 124 HOH   HOH AAA . 
F 6 HOH   220 620 115 HOH   HOH AAA . 
F 6 HOH   221 621 209 HOH   HOH AAA . 
F 6 HOH   222 622 228 HOH   HOH AAA . 
F 6 HOH   223 623 153 HOH   HOH AAA . 
F 6 HOH   224 624 217 HOH   HOH AAA . 
F 6 HOH   225 625 223 HOH   HOH AAA . 
F 6 HOH   226 626 146 HOH   HOH AAA . 
F 6 HOH   227 627 247 HOH   HOH AAA . 
F 6 HOH   228 628 210 HOH   HOH AAA . 
F 6 HOH   229 629 238 HOH   HOH AAA . 
F 6 HOH   230 630 107 HOH   HOH AAA . 
F 6 HOH   231 631 199 HOH   HOH AAA . 
F 6 HOH   232 632 231 HOH   HOH AAA . 
F 6 HOH   233 633 125 HOH   HOH AAA . 
F 6 HOH   234 634 154 HOH   HOH AAA . 
F 6 HOH   235 635 173 HOH   HOH AAA . 
F 6 HOH   236 636 226 HOH   HOH AAA . 
F 6 HOH   237 637 175 HOH   HOH AAA . 
F 6 HOH   238 638 219 HOH   HOH AAA . 
F 6 HOH   239 639 108 HOH   HOH AAA . 
F 6 HOH   240 640 236 HOH   HOH AAA . 
F 6 HOH   241 641 243 HOH   HOH AAA . 
F 6 HOH   242 642 143 HOH   HOH AAA . 
F 6 HOH   243 643 160 HOH   HOH AAA . 
F 6 HOH   244 644 151 HOH   HOH AAA . 
F 6 HOH   245 645 208 HOH   HOH AAA . 
F 6 HOH   246 646 93  HOH   HOH AAA . 
F 6 HOH   247 647 45  HOH   HOH AAA . 
F 6 HOH   248 648 220 HOH   HOH AAA . 
F 6 HOH   249 649 181 HOH   HOH AAA . 
F 6 HOH   250 650 59  HOH   HOH AAA . 
F 6 HOH   251 651 177 HOH   HOH AAA . 
F 6 HOH   252 652 129 HOH   HOH AAA . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? MOSFLM ? ? ? .        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                     9GCD 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     74.080 
_cell.length_a_esd                 ? 
_cell.length_b                     74.080 
_cell.length_b_esd                 ? 
_cell.length_c                     49.790 
_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                         9GCD 
_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                   9GCD 
_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             2.73 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          54.95 
_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         2011-11-30 
_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                                       9GCD 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.79 
_reflns.d_resolution_low                               41.32 
_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                                     24967 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.2 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                2.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          14.3 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.051 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.79 
_reflns_shell.d_res_low                                     1.89 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           3.0 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             3377 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.318 
_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]                            0.031 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            0.031 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            -0.062 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               33.036 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.953 
_refine.correlation_coeff_Fo_to_Fc_free          0.926 
_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                                 9GCD 
_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                            1.798 
_refine.ls_d_res_low                             29.718 
_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                     24925 
_refine.ls_number_reflns_R_free                  1273 
_refine.ls_number_reflns_R_work                  23652 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.639 
_refine.ls_percent_reflns_R_free                 5.107 
_refine.ls_R_factor_all                          0.179 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2120 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1778 
_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                       0.118 
_refine.pdbx_overall_ESU_R_Free                  0.114 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1666 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         114 
_refine_hist.number_atoms_solvent             252 
_refine_hist.number_atoms_total               2032 
_refine_hist.d_res_high                       1.798 
_refine_hist.d_res_low                        29.718 
# 
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' ? 0.013  0.012  1826 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 1.603  1.741  2475 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 6.792  5.000  210  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 30.629 20.833 84   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.384 15.000 294  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 19.783 15.000 13   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.083  0.200  252  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.012  0.020  1313 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.271  0.200  866  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.314  0.200  1249 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.181  0.200  204  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.049  0.200  2    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.242  0.200  47   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.271  0.200  30   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 0.047  0.200  1    ? r_symmetry_metal_ion_refined   ? ? 
'X-RAY DIFFRACTION' ? 2.141  2.830  855  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.741  4.233  1060 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.836  3.409  971  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.774  4.920  1415 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 7.134  42.327 2899 ? 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' 1.798 1.845  1863 . 86  1684 95.0080  . 0.302 . . 0.301 . . . . . 0.283 . 20 . 0.857 0.846 0.321 
'X-RAY DIFFRACTION' 1.845 1.895  1780 . 99  1677 99.7753  . 0.241 . . 0.240 . . . . . 0.220 . 20 . 0.901 0.885 0.263 
'X-RAY DIFFRACTION' 1.895 1.950  1756 . 78  1676 99.8861  . 0.204 . . 0.204 . . . . . 0.184 . 20 . 0.927 0.931 0.217 
'X-RAY DIFFRACTION' 1.950 2.010  1729 . 100 1628 99.9422  . 0.183 . . 0.182 . . . . . 0.160 . 20 . 0.941 0.941 0.203 
'X-RAY DIFFRACTION' 2.010 2.075  1643 . 88  1553 99.8783  . 0.181 . . 0.178 . . . . . 0.157 . 20 . 0.940 0.928 0.232 
'X-RAY DIFFRACTION' 2.075 2.148  1588 . 82  1503 99.8111  . 0.174 . . 0.172 . . . . . 0.153 . 20 . 0.944 0.930 0.220 
'X-RAY DIFFRACTION' 2.148 2.228  1552 . 79  1471 99.8711  . 0.177 . . 0.175 . . . . . 0.156 . 20 . 0.945 0.921 0.226 
'X-RAY DIFFRACTION' 2.228 2.319  1470 . 81  1388 99.9320  . 0.169 . . 0.166 . . . . . 0.148 . 20 . 0.953 0.937 0.216 
'X-RAY DIFFRACTION' 2.319 2.421  1435 . 67  1368 100.0000 . 0.160 . . 0.159 . . . . . 0.143 . 20 . 0.960 0.954 0.186 
'X-RAY DIFFRACTION' 2.421 2.539  1379 . 80  1296 99.7824  . 0.174 . . 0.171 . . . . . 0.154 . 20 . 0.950 0.942 0.212 
'X-RAY DIFFRACTION' 2.539 2.675  1284 . 53  1229 99.8442  . 0.181 . . 0.180 . . . . . 0.165 . 20 . 0.943 0.927 0.205 
'X-RAY DIFFRACTION' 2.675 2.836  1250 . 67  1178 99.6000  . 0.181 . . 0.178 . . . . . 0.163 . 20 . 0.946 0.935 0.238 
'X-RAY DIFFRACTION' 2.836 3.030  1155 . 69  1076 99.1342  . 0.172 . . 0.171 . . . . . 0.161 . 20 . 0.958 0.954 0.174 
'X-RAY DIFFRACTION' 3.030 3.269  1084 . 52  1014 98.3395  . 0.173 . . 0.172 . . . . . 0.163 . 20 . 0.960 0.946 0.203 
'X-RAY DIFFRACTION' 3.269 3.577  1005 . 47  940  98.2090  . 0.172 . . 0.170 . . . . . 0.167 . 20 . 0.961 0.945 0.212 
'X-RAY DIFFRACTION' 3.577 3.992  909  . 40  847  97.5798  . 0.153 . . 0.151 . . . . . 0.149 . 20 . 0.968 0.956 0.198 
'X-RAY DIFFRACTION' 3.992 4.596  813  . 34  745  95.8180  . 0.149 . . 0.148 . . . . . 0.145 . 20 . 0.968 0.959 0.180 
'X-RAY DIFFRACTION' 4.596 5.596  688  . 27  629  95.3488  . 0.161 . . 0.161 . . . . . 0.160 . 20 . 0.967 0.961 0.157 
'X-RAY DIFFRACTION' 5.596 7.777  541  . 37  468  93.3457  . 0.216 . . 0.214 . . . . . 0.211 . 20 . 0.949 0.942 0.238 
'X-RAY DIFFRACTION' 7.777 29.718 334  . 7   282  86.5269  . 0.228 . . 0.227 . . . . . 0.225 . 20 . 0.947 0.927 0.253 
# 
_struct.entry_id                     9GCD 
_struct.title                        'CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH Fulacimstat (COMPOUND86)' 
_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        9GCD 
_struct_keywords.text            'SERINE PROTEASE, GLYCOSYLATED, MAST CELLS, SECRETED, HYDROLASE, HYDROLASE INHIBITOR COMPLEX' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
F N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    CMA1_HUMAN 
_struct_ref.pdbx_db_accession          P23946 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPK
YNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQFNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDF
DHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
;
_struct_ref.pdbx_align_begin           22 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9GCD 
_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 9GCD ARG AAA 114 ? UNP P23946 PHE 135 'engineered mutation' 127 1 
1 9GCD ALA AAA 191 ? UNP P23946 VAL 212 'engineered mutation' 208 2 
1 9GCD GLN AAA 216 ? UNP P23946 ARG 237 'engineered mutation' 235 3 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 1140  ? 
1 MORE         -6    ? 
1 'SSA (A^2)'  11310 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ALA A 43  ? ALA A 47  ? ALA AAA 55  ALA AAA 59  5 ? 5  
HELX_P HELX_P2 AA2 ASP A 150 ? SER A 155 ? ASP AAA 164 SER AAA 169 5 ? 6  
HELX_P HELX_P3 AA3 ILE A 212 ? ASN A 226 ? ILE AAA 231 ASN AAA 245 1 ? 15 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ?    ? A CYS 30  SG  ? ? ? 1_555 A CYS 46  SG ? ? AAA CYS 42  AAA CYS 58  1_555 ? ? ? ? ? ? ? 2.037 ? ? 
disulf2 disulf ?    ? A CYS 123 SG  ? ? ? 1_555 A CYS 188 SG ? ? AAA CYS 136 AAA CYS 201 1_555 ? ? ? ? ? ? ? 2.012 ? ? 
disulf3 disulf ?    ? A CYS 154 SG  ? ? ? 1_555 A CYS 167 SG ? ? AAA CYS 168 AAA CYS 182 1_555 ? ? ? ? ? ? ? 2.010 ? ? 
covale1 covale one  ? A ASN 59  ND2 ? ? ? 1_555 C NAG .   C1 ? ? AAA ASN 72  AbA NAG 1   1_555 ? ? ? ? ? ? ? 1.429 ? 
N-Glycosylation 
covale2 covale one  ? A ASN 82  ND2 ? ? ? 1_555 B NAG .   C1 ? ? AAA ASN 95  AaA NAG 1   1_555 ? ? ? ? ? ? ? 1.439 ? 
N-Glycosylation 
covale3 covale both ? B NAG .   O4  ? ? ? 1_555 B NAG .   C1 ? ? AaA NAG 1   AaA NAG 2   1_555 ? ? ? ? ? ? ? 1.426 ? ? 
covale4 covale both ? B NAG .   O4  ? ? ? 1_555 B BMA .   C1 ? ? AaA NAG 2   AaA BMA 3   1_555 ? ? ? ? ? ? ? 1.422 ? ? 
covale5 covale both ? B BMA .   O6  ? ? ? 1_555 B MAN .   C1 ? ? AaA BMA 3   AaA MAN 4   1_555 ? ? ? ? ? ? ? 1.431 ? ? 
covale6 covale both ? C NAG .   O4  ? ? ? 1_555 C NAG .   C1 ? ? AbA NAG 1   AbA NAG 2   1_555 ? ? ? ? ? ? ? 1.442 ? ? 
metalc1 metalc ?    ? A HIS 10  NE2 ? ? ? 1_555 E ZN  .   ZN ? ? AAA HIS 25  AAA ZN  302 1_555 ? ? ? ? ? ? ? 2.028 ? ? 
metalc2 metalc ?    ? A GLU 64  OE2 ? ? ? 1_555 E ZN  .   ZN ? ? AAA GLU 78  AAA ZN  302 1_555 ? ? ? ? ? ? ? 1.958 ? ? 
metalc3 metalc ?    ? A GLU 71  OE2 ? ? ? 1_555 E ZN  .   ZN ? ? AAA GLU 84  AAA ZN  302 2_545 ? ? ? ? ? ? ? 1.973 ? ? 
metalc4 metalc ?    ? A LYS 96  NZ  ? ? ? 1_555 E ZN  .   ZN ? ? AAA LYS 109 AAA ZN  302 2_545 ? ? ? ? ? ? ? 2.073 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 NE2 ? A HIS 10 ? AAA HIS 25 ? 1_555 ZN ? E ZN . ? AAA ZN 302 ? 1_555 OE2 ? A GLU 64 ? AAA GLU 78  ? 1_555 119.3 ? 
2 NE2 ? A HIS 10 ? AAA HIS 25 ? 1_555 ZN ? E ZN . ? AAA ZN 302 ? 1_555 OE2 ? A GLU 71 ? AAA GLU 84  ? 1_555 70.5  ? 
3 OE2 ? A GLU 64 ? AAA GLU 78 ? 1_555 ZN ? E ZN . ? AAA ZN 302 ? 1_555 OE2 ? A GLU 71 ? AAA GLU 84  ? 1_555 48.9  ? 
4 NE2 ? A HIS 10 ? AAA HIS 25 ? 1_555 ZN ? E ZN . ? AAA ZN 302 ? 1_555 NZ  ? A LYS 96 ? AAA LYS 109 ? 1_555 71.7  ? 
5 OE2 ? A GLU 64 ? AAA GLU 78 ? 1_555 ZN ? E ZN . ? AAA ZN 302 ? 1_555 NZ  ? A LYS 96 ? AAA LYS 109 ? 1_555 48.8  ? 
6 OE2 ? A GLU 71 ? AAA GLU 84 ? 1_555 ZN ? E ZN . ? AAA ZN 302 ? 1_555 NZ  ? A LYS 96 ? AAA LYS 109 ? 1_555 6.9   ? 
# 
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 82  ? NAG AaA 1   ? 1_555 ASN AAA 95  ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate       
2 NAG C .   ? ASN A 59  ? NAG AbA 1   ? 1_555 ASN AAA 72  ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate       
3 CYS A 30  ? CYS A 46  ? CYS AAA 42  ? 1_555 CYS AAA 58  ? 1_555 SG SG  .   . .   None            'Disulfide bridge' 
4 CYS A 123 ? CYS A 188 ? CYS AAA 136 ? 1_555 CYS AAA 201 ? 1_555 SG SG  .   . .   None            'Disulfide bridge' 
5 CYS A 154 ? CYS A 167 ? CYS AAA 168 ? 1_555 CYS AAA 182 ? 1_555 SG SG  .   . .   None            'Disulfide bridge' 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          PRO 
_struct_mon_prot_cis.label_seq_id           205 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           PRO 
_struct_mon_prot_cis.auth_seq_id            224 
_struct_mon_prot_cis.auth_asym_id           AAA 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    206 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     225 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    AAA 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       6.36 
# 
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 VAL A 168 ? N VAL AAA 183 O ALA A 207 ? O ALA AAA 226 
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                   9GCD 
_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_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O  AAA HOH 580 ? ? O AAA HOH 621 ? ? 2.02 
2 1 NZ AAA LYS 111 ? ? O AAA HOH 401 ? ? 2.09 
3 1 O  AAA HOH 572 ? ? O AAA HOH 598 ? ? 2.10 
4 1 O  AAA HOH 532 ? ? O AAA HOH 565 ? ? 2.17 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O AAA HOH 401 ? ? 1_555 O AAA HOH 573 ? ? 3_554 1.97 
2 1 O AAA HOH 598 ? ? 1_555 O AAA HOH 608 ? ? 4_545 2.00 
# 
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  ? ? -119.74 -76.31 
2 1 SER AAA 189 ? ? -170.95 148.69 
# 
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 
A1IJ2 N3   N  N N 1   
A1IJ2 C4   C  N N 2   
A1IJ2 C6   C  N N 3   
A1IJ2 C8   C  N S 4   
A1IJ2 C10  C  Y N 5   
A1IJ2 C13  C  Y N 6   
A1IJ2 C20  C  N N 7   
A1IJ2 C22  C  Y N 8   
A1IJ2 C24  C  Y N 9   
A1IJ2 C26  C  Y N 10  
A1IJ2 F16  F  N N 11  
A1IJ2 C14  C  N N 12  
A1IJ2 F17  F  N N 13  
A1IJ2 F15  F  N N 14  
A1IJ2 C12  C  Y N 15  
A1IJ2 C11  C  Y N 16  
A1IJ2 C9   C  Y N 17  
A1IJ2 C18  C  Y N 18  
A1IJ2 C19  C  N N 19  
A1IJ2 N5   N  N N 20  
A1IJ2 O21  O  N N 21  
A1IJ2 O7   O  N N 22  
A1IJ2 C1   C  N N 23  
A1IJ2 C33  C  N N 24  
A1IJ2 O34  O  N N 25  
A1IJ2 O35  O  N N 26  
A1IJ2 C2   C  N N 27  
A1IJ2 C23  C  Y N 28  
A1IJ2 O30  O  N N 29  
A1IJ2 C29  C  N N 30  
A1IJ2 O31  O  N N 31  
A1IJ2 N28  N  N N 32  
A1IJ2 C32  C  N N 33  
A1IJ2 C25  C  Y N 34  
A1IJ2 C27  C  Y N 35  
A1IJ2 H8   H  N N 36  
A1IJ2 H10  H  N N 37  
A1IJ2 H20  H  N N 38  
A1IJ2 H8L  H  N N 39  
A1IJ2 H26  H  N N 40  
A1IJ2 H12  H  N N 41  
A1IJ2 H11  H  N N 42  
A1IJ2 H19  H  N N 43  
A1IJ2 H8M  H  N N 44  
A1IJ2 H1   H  N N 45  
A1IJ2 H2   H  N N 46  
A1IJ2 H23  H  N N 47  
A1IJ2 H34  H  N N 48  
A1IJ2 H33  H  N N 49  
A1IJ2 H32  H  N N 50  
A1IJ2 H27  H  N N 51  
ALA   N    N  N N 52  
ALA   CA   C  N S 53  
ALA   C    C  N N 54  
ALA   O    O  N N 55  
ALA   CB   C  N N 56  
ALA   OXT  O  N N 57  
ALA   H    H  N N 58  
ALA   H2   H  N N 59  
ALA   HA   H  N N 60  
ALA   HB1  H  N N 61  
ALA   HB2  H  N N 62  
ALA   HB3  H  N N 63  
ALA   HXT  H  N N 64  
ARG   N    N  N N 65  
ARG   CA   C  N S 66  
ARG   C    C  N N 67  
ARG   O    O  N N 68  
ARG   CB   C  N N 69  
ARG   CG   C  N N 70  
ARG   CD   C  N N 71  
ARG   NE   N  N N 72  
ARG   CZ   C  N N 73  
ARG   NH1  N  N N 74  
ARG   NH2  N  N N 75  
ARG   OXT  O  N N 76  
ARG   H    H  N N 77  
ARG   H2   H  N N 78  
ARG   HA   H  N N 79  
ARG   HB2  H  N N 80  
ARG   HB3  H  N N 81  
ARG   HG2  H  N N 82  
ARG   HG3  H  N N 83  
ARG   HD2  H  N N 84  
ARG   HD3  H  N N 85  
ARG   HE   H  N N 86  
ARG   HH11 H  N N 87  
ARG   HH12 H  N N 88  
ARG   HH21 H  N N 89  
ARG   HH22 H  N N 90  
ARG   HXT  H  N N 91  
ASN   N    N  N N 92  
ASN   CA   C  N S 93  
ASN   C    C  N N 94  
ASN   O    O  N N 95  
ASN   CB   C  N N 96  
ASN   CG   C  N N 97  
ASN   OD1  O  N N 98  
ASN   ND2  N  N N 99  
ASN   OXT  O  N N 100 
ASN   H    H  N N 101 
ASN   H2   H  N N 102 
ASN   HA   H  N N 103 
ASN   HB2  H  N N 104 
ASN   HB3  H  N N 105 
ASN   HD21 H  N N 106 
ASN   HD22 H  N N 107 
ASN   HXT  H  N N 108 
ASP   N    N  N N 109 
ASP   CA   C  N S 110 
ASP   C    C  N N 111 
ASP   O    O  N N 112 
ASP   CB   C  N N 113 
ASP   CG   C  N N 114 
ASP   OD1  O  N N 115 
ASP   OD2  O  N N 116 
ASP   OXT  O  N N 117 
ASP   H    H  N N 118 
ASP   H2   H  N N 119 
ASP   HA   H  N N 120 
ASP   HB2  H  N N 121 
ASP   HB3  H  N N 122 
ASP   HD2  H  N N 123 
ASP   HXT  H  N N 124 
BMA   C1   C  N R 125 
BMA   C2   C  N S 126 
BMA   C3   C  N S 127 
BMA   C4   C  N S 128 
BMA   C5   C  N R 129 
BMA   C6   C  N N 130 
BMA   O1   O  N N 131 
BMA   O2   O  N N 132 
BMA   O3   O  N N 133 
BMA   O4   O  N N 134 
BMA   O5   O  N N 135 
BMA   O6   O  N N 136 
BMA   H1   H  N N 137 
BMA   H2   H  N N 138 
BMA   H3   H  N N 139 
BMA   H4   H  N N 140 
BMA   H5   H  N N 141 
BMA   H61  H  N N 142 
BMA   H62  H  N N 143 
BMA   HO1  H  N N 144 
BMA   HO2  H  N N 145 
BMA   HO3  H  N N 146 
BMA   HO4  H  N N 147 
BMA   HO6  H  N N 148 
CYS   N    N  N N 149 
CYS   CA   C  N R 150 
CYS   C    C  N N 151 
CYS   O    O  N N 152 
CYS   CB   C  N N 153 
CYS   SG   S  N N 154 
CYS   OXT  O  N N 155 
CYS   H    H  N N 156 
CYS   H2   H  N N 157 
CYS   HA   H  N N 158 
CYS   HB2  H  N N 159 
CYS   HB3  H  N N 160 
CYS   HG   H  N N 161 
CYS   HXT  H  N N 162 
GLN   N    N  N N 163 
GLN   CA   C  N S 164 
GLN   C    C  N N 165 
GLN   O    O  N N 166 
GLN   CB   C  N N 167 
GLN   CG   C  N N 168 
GLN   CD   C  N N 169 
GLN   OE1  O  N N 170 
GLN   NE2  N  N N 171 
GLN   OXT  O  N N 172 
GLN   H    H  N N 173 
GLN   H2   H  N N 174 
GLN   HA   H  N N 175 
GLN   HB2  H  N N 176 
GLN   HB3  H  N N 177 
GLN   HG2  H  N N 178 
GLN   HG3  H  N N 179 
GLN   HE21 H  N N 180 
GLN   HE22 H  N N 181 
GLN   HXT  H  N N 182 
GLU   N    N  N N 183 
GLU   CA   C  N S 184 
GLU   C    C  N N 185 
GLU   O    O  N N 186 
GLU   CB   C  N N 187 
GLU   CG   C  N N 188 
GLU   CD   C  N N 189 
GLU   OE1  O  N N 190 
GLU   OE2  O  N N 191 
GLU   OXT  O  N N 192 
GLU   H    H  N N 193 
GLU   H2   H  N N 194 
GLU   HA   H  N N 195 
GLU   HB2  H  N N 196 
GLU   HB3  H  N N 197 
GLU   HG2  H  N N 198 
GLU   HG3  H  N N 199 
GLU   HE2  H  N N 200 
GLU   HXT  H  N N 201 
GLY   N    N  N N 202 
GLY   CA   C  N N 203 
GLY   C    C  N N 204 
GLY   O    O  N N 205 
GLY   OXT  O  N N 206 
GLY   H    H  N N 207 
GLY   H2   H  N N 208 
GLY   HA2  H  N N 209 
GLY   HA3  H  N N 210 
GLY   HXT  H  N N 211 
HIS   N    N  N N 212 
HIS   CA   C  N S 213 
HIS   C    C  N N 214 
HIS   O    O  N N 215 
HIS   CB   C  N N 216 
HIS   CG   C  Y N 217 
HIS   ND1  N  Y N 218 
HIS   CD2  C  Y N 219 
HIS   CE1  C  Y N 220 
HIS   NE2  N  Y N 221 
HIS   OXT  O  N N 222 
HIS   H    H  N N 223 
HIS   H2   H  N N 224 
HIS   HA   H  N N 225 
HIS   HB2  H  N N 226 
HIS   HB3  H  N N 227 
HIS   HD1  H  N N 228 
HIS   HD2  H  N N 229 
HIS   HE1  H  N N 230 
HIS   HE2  H  N N 231 
HIS   HXT  H  N N 232 
HOH   O    O  N N 233 
HOH   H1   H  N N 234 
HOH   H2   H  N N 235 
ILE   N    N  N N 236 
ILE   CA   C  N S 237 
ILE   C    C  N N 238 
ILE   O    O  N N 239 
ILE   CB   C  N S 240 
ILE   CG1  C  N N 241 
ILE   CG2  C  N N 242 
ILE   CD1  C  N N 243 
ILE   OXT  O  N N 244 
ILE   H    H  N N 245 
ILE   H2   H  N N 246 
ILE   HA   H  N N 247 
ILE   HB   H  N N 248 
ILE   HG12 H  N N 249 
ILE   HG13 H  N N 250 
ILE   HG21 H  N N 251 
ILE   HG22 H  N N 252 
ILE   HG23 H  N N 253 
ILE   HD11 H  N N 254 
ILE   HD12 H  N N 255 
ILE   HD13 H  N N 256 
ILE   HXT  H  N N 257 
LEU   N    N  N N 258 
LEU   CA   C  N S 259 
LEU   C    C  N N 260 
LEU   O    O  N N 261 
LEU   CB   C  N N 262 
LEU   CG   C  N N 263 
LEU   CD1  C  N N 264 
LEU   CD2  C  N N 265 
LEU   OXT  O  N N 266 
LEU   H    H  N N 267 
LEU   H2   H  N N 268 
LEU   HA   H  N N 269 
LEU   HB2  H  N N 270 
LEU   HB3  H  N N 271 
LEU   HG   H  N N 272 
LEU   HD11 H  N N 273 
LEU   HD12 H  N N 274 
LEU   HD13 H  N N 275 
LEU   HD21 H  N N 276 
LEU   HD22 H  N N 277 
LEU   HD23 H  N N 278 
LEU   HXT  H  N N 279 
LYS   N    N  N N 280 
LYS   CA   C  N S 281 
LYS   C    C  N N 282 
LYS   O    O  N N 283 
LYS   CB   C  N N 284 
LYS   CG   C  N N 285 
LYS   CD   C  N N 286 
LYS   CE   C  N N 287 
LYS   NZ   N  N N 288 
LYS   OXT  O  N N 289 
LYS   H    H  N N 290 
LYS   H2   H  N N 291 
LYS   HA   H  N N 292 
LYS   HB2  H  N N 293 
LYS   HB3  H  N N 294 
LYS   HG2  H  N N 295 
LYS   HG3  H  N N 296 
LYS   HD2  H  N N 297 
LYS   HD3  H  N N 298 
LYS   HE2  H  N N 299 
LYS   HE3  H  N N 300 
LYS   HZ1  H  N N 301 
LYS   HZ2  H  N N 302 
LYS   HZ3  H  N N 303 
LYS   HXT  H  N N 304 
MAN   C1   C  N S 305 
MAN   C2   C  N S 306 
MAN   C3   C  N S 307 
MAN   C4   C  N S 308 
MAN   C5   C  N R 309 
MAN   C6   C  N N 310 
MAN   O1   O  N N 311 
MAN   O2   O  N N 312 
MAN   O3   O  N N 313 
MAN   O4   O  N N 314 
MAN   O5   O  N N 315 
MAN   O6   O  N N 316 
MAN   H1   H  N N 317 
MAN   H2   H  N N 318 
MAN   H3   H  N N 319 
MAN   H4   H  N N 320 
MAN   H5   H  N N 321 
MAN   H61  H  N N 322 
MAN   H62  H  N N 323 
MAN   HO1  H  N N 324 
MAN   HO2  H  N N 325 
MAN   HO3  H  N N 326 
MAN   HO4  H  N N 327 
MAN   HO6  H  N N 328 
MET   N    N  N N 329 
MET   CA   C  N S 330 
MET   C    C  N N 331 
MET   O    O  N N 332 
MET   CB   C  N N 333 
MET   CG   C  N N 334 
MET   SD   S  N N 335 
MET   CE   C  N N 336 
MET   OXT  O  N N 337 
MET   H    H  N N 338 
MET   H2   H  N N 339 
MET   HA   H  N N 340 
MET   HB2  H  N N 341 
MET   HB3  H  N N 342 
MET   HG2  H  N N 343 
MET   HG3  H  N N 344 
MET   HE1  H  N N 345 
MET   HE2  H  N N 346 
MET   HE3  H  N N 347 
MET   HXT  H  N N 348 
NAG   C1   C  N R 349 
NAG   C2   C  N R 350 
NAG   C3   C  N R 351 
NAG   C4   C  N S 352 
NAG   C5   C  N R 353 
NAG   C6   C  N N 354 
NAG   C7   C  N N 355 
NAG   C8   C  N N 356 
NAG   N2   N  N N 357 
NAG   O1   O  N N 358 
NAG   O3   O  N N 359 
NAG   O4   O  N N 360 
NAG   O5   O  N N 361 
NAG   O6   O  N N 362 
NAG   O7   O  N N 363 
NAG   H1   H  N N 364 
NAG   H2   H  N N 365 
NAG   H3   H  N N 366 
NAG   H4   H  N N 367 
NAG   H5   H  N N 368 
NAG   H61  H  N N 369 
NAG   H62  H  N N 370 
NAG   H81  H  N N 371 
NAG   H82  H  N N 372 
NAG   H83  H  N N 373 
NAG   HN2  H  N N 374 
NAG   HO1  H  N N 375 
NAG   HO3  H  N N 376 
NAG   HO4  H  N N 377 
NAG   HO6  H  N N 378 
PHE   N    N  N N 379 
PHE   CA   C  N S 380 
PHE   C    C  N N 381 
PHE   O    O  N N 382 
PHE   CB   C  N N 383 
PHE   CG   C  Y N 384 
PHE   CD1  C  Y N 385 
PHE   CD2  C  Y N 386 
PHE   CE1  C  Y N 387 
PHE   CE2  C  Y N 388 
PHE   CZ   C  Y N 389 
PHE   OXT  O  N N 390 
PHE   H    H  N N 391 
PHE   H2   H  N N 392 
PHE   HA   H  N N 393 
PHE   HB2  H  N N 394 
PHE   HB3  H  N N 395 
PHE   HD1  H  N N 396 
PHE   HD2  H  N N 397 
PHE   HE1  H  N N 398 
PHE   HE2  H  N N 399 
PHE   HZ   H  N N 400 
PHE   HXT  H  N N 401 
PRO   N    N  N N 402 
PRO   CA   C  N S 403 
PRO   C    C  N N 404 
PRO   O    O  N N 405 
PRO   CB   C  N N 406 
PRO   CG   C  N N 407 
PRO   CD   C  N N 408 
PRO   OXT  O  N N 409 
PRO   H    H  N N 410 
PRO   HA   H  N N 411 
PRO   HB2  H  N N 412 
PRO   HB3  H  N N 413 
PRO   HG2  H  N N 414 
PRO   HG3  H  N N 415 
PRO   HD2  H  N N 416 
PRO   HD3  H  N N 417 
PRO   HXT  H  N N 418 
SER   N    N  N N 419 
SER   CA   C  N S 420 
SER   C    C  N N 421 
SER   O    O  N N 422 
SER   CB   C  N N 423 
SER   OG   O  N N 424 
SER   OXT  O  N N 425 
SER   H    H  N N 426 
SER   H2   H  N N 427 
SER   HA   H  N N 428 
SER   HB2  H  N N 429 
SER   HB3  H  N N 430 
SER   HG   H  N N 431 
SER   HXT  H  N N 432 
THR   N    N  N N 433 
THR   CA   C  N S 434 
THR   C    C  N N 435 
THR   O    O  N N 436 
THR   CB   C  N R 437 
THR   OG1  O  N N 438 
THR   CG2  C  N N 439 
THR   OXT  O  N N 440 
THR   H    H  N N 441 
THR   H2   H  N N 442 
THR   HA   H  N N 443 
THR   HB   H  N N 444 
THR   HG1  H  N N 445 
THR   HG21 H  N N 446 
THR   HG22 H  N N 447 
THR   HG23 H  N N 448 
THR   HXT  H  N N 449 
TRP   N    N  N N 450 
TRP   CA   C  N S 451 
TRP   C    C  N N 452 
TRP   O    O  N N 453 
TRP   CB   C  N N 454 
TRP   CG   C  Y N 455 
TRP   CD1  C  Y N 456 
TRP   CD2  C  Y N 457 
TRP   NE1  N  Y N 458 
TRP   CE2  C  Y N 459 
TRP   CE3  C  Y N 460 
TRP   CZ2  C  Y N 461 
TRP   CZ3  C  Y N 462 
TRP   CH2  C  Y N 463 
TRP   OXT  O  N N 464 
TRP   H    H  N N 465 
TRP   H2   H  N N 466 
TRP   HA   H  N N 467 
TRP   HB2  H  N N 468 
TRP   HB3  H  N N 469 
TRP   HD1  H  N N 470 
TRP   HE1  H  N N 471 
TRP   HE3  H  N N 472 
TRP   HZ2  H  N N 473 
TRP   HZ3  H  N N 474 
TRP   HH2  H  N N 475 
TRP   HXT  H  N N 476 
TYR   N    N  N N 477 
TYR   CA   C  N S 478 
TYR   C    C  N N 479 
TYR   O    O  N N 480 
TYR   CB   C  N N 481 
TYR   CG   C  Y N 482 
TYR   CD1  C  Y N 483 
TYR   CD2  C  Y N 484 
TYR   CE1  C  Y N 485 
TYR   CE2  C  Y N 486 
TYR   CZ   C  Y N 487 
TYR   OH   O  N N 488 
TYR   OXT  O  N N 489 
TYR   H    H  N N 490 
TYR   H2   H  N N 491 
TYR   HA   H  N N 492 
TYR   HB2  H  N N 493 
TYR   HB3  H  N N 494 
TYR   HD1  H  N N 495 
TYR   HD2  H  N N 496 
TYR   HE1  H  N N 497 
TYR   HE2  H  N N 498 
TYR   HH   H  N N 499 
TYR   HXT  H  N N 500 
VAL   N    N  N N 501 
VAL   CA   C  N S 502 
VAL   C    C  N N 503 
VAL   O    O  N N 504 
VAL   CB   C  N N 505 
VAL   CG1  C  N N 506 
VAL   CG2  C  N N 507 
VAL   OXT  O  N N 508 
VAL   H    H  N N 509 
VAL   H2   H  N N 510 
VAL   HA   H  N N 511 
VAL   HB   H  N N 512 
VAL   HG11 H  N N 513 
VAL   HG12 H  N N 514 
VAL   HG13 H  N N 515 
VAL   HG21 H  N N 516 
VAL   HG22 H  N N 517 
VAL   HG23 H  N N 518 
VAL   HXT  H  N N 519 
ZN    ZN   ZN N N 520 
# 
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 
A1IJ2 C14 F16  sing N N 1   
A1IJ2 C14 F17  sing N N 2   
A1IJ2 C14 F15  sing N N 3   
A1IJ2 C13 C14  sing N N 4   
A1IJ2 C13 C12  doub Y N 5   
A1IJ2 C13 C18  sing Y N 6   
A1IJ2 C12 C11  sing Y N 7   
A1IJ2 C11 C10  doub Y N 8   
A1IJ2 C9  C10  sing Y N 9   
A1IJ2 C9  C18  doub Y N 10  
A1IJ2 C8  C9   sing N N 11  
A1IJ2 C18 C19  sing N N 12  
A1IJ2 C19 C20  sing N N 13  
A1IJ2 C8  C20  sing N N 14  
A1IJ2 C8  N5   sing N N 15  
A1IJ2 N5  C4   sing N N 16  
A1IJ2 N5  C6   sing N N 17  
A1IJ2 C4  O21  doub N N 18  
A1IJ2 C4  N3   sing N N 19  
A1IJ2 C6  O7   doub N N 20  
A1IJ2 C6  C1   sing N N 21  
A1IJ2 C1  C33  sing N N 22  
A1IJ2 C1  C2   doub N N 23  
A1IJ2 C33 O34  doub N N 24  
A1IJ2 C33 O35  sing N N 25  
A1IJ2 N3  C2   sing N N 26  
A1IJ2 N3  C22  sing N N 27  
A1IJ2 C22 C23  doub Y N 28  
A1IJ2 C22 C27  sing Y N 29  
A1IJ2 C24 C23  sing Y N 30  
A1IJ2 C24 O30  sing N N 31  
A1IJ2 C24 C25  doub Y N 32  
A1IJ2 C29 O30  sing N N 33  
A1IJ2 C29 O31  doub N N 34  
A1IJ2 C29 N28  sing N N 35  
A1IJ2 N28 C32  sing N N 36  
A1IJ2 N28 C25  sing N N 37  
A1IJ2 C25 C26  sing Y N 38  
A1IJ2 C26 C27  doub Y N 39  
A1IJ2 C8  H8   sing N N 40  
A1IJ2 C10 H10  sing N N 41  
A1IJ2 C20 H20  sing N N 42  
A1IJ2 C20 H8L  sing N N 43  
A1IJ2 C26 H26  sing N N 44  
A1IJ2 C12 H12  sing N N 45  
A1IJ2 C11 H11  sing N N 46  
A1IJ2 C19 H19  sing N N 47  
A1IJ2 C19 H8M  sing N N 48  
A1IJ2 O35 H1   sing N N 49  
A1IJ2 C2  H2   sing N N 50  
A1IJ2 C23 H23  sing N N 51  
A1IJ2 C32 H34  sing N N 52  
A1IJ2 C32 H33  sing N N 53  
A1IJ2 C32 H32  sing N N 54  
A1IJ2 C27 H27  sing N N 55  
ALA   N   CA   sing N N 56  
ALA   N   H    sing N N 57  
ALA   N   H2   sing N N 58  
ALA   CA  C    sing N N 59  
ALA   CA  CB   sing N N 60  
ALA   CA  HA   sing N N 61  
ALA   C   O    doub N N 62  
ALA   C   OXT  sing N N 63  
ALA   CB  HB1  sing N N 64  
ALA   CB  HB2  sing N N 65  
ALA   CB  HB3  sing N N 66  
ALA   OXT HXT  sing N N 67  
ARG   N   CA   sing N N 68  
ARG   N   H    sing N N 69  
ARG   N   H2   sing N N 70  
ARG   CA  C    sing N N 71  
ARG   CA  CB   sing N N 72  
ARG   CA  HA   sing N N 73  
ARG   C   O    doub N N 74  
ARG   C   OXT  sing N N 75  
ARG   CB  CG   sing N N 76  
ARG   CB  HB2  sing N N 77  
ARG   CB  HB3  sing N N 78  
ARG   CG  CD   sing N N 79  
ARG   CG  HG2  sing N N 80  
ARG   CG  HG3  sing N N 81  
ARG   CD  NE   sing N N 82  
ARG   CD  HD2  sing N N 83  
ARG   CD  HD3  sing N N 84  
ARG   NE  CZ   sing N N 85  
ARG   NE  HE   sing N N 86  
ARG   CZ  NH1  sing N N 87  
ARG   CZ  NH2  doub N N 88  
ARG   NH1 HH11 sing N N 89  
ARG   NH1 HH12 sing N N 90  
ARG   NH2 HH21 sing N N 91  
ARG   NH2 HH22 sing N N 92  
ARG   OXT HXT  sing N N 93  
ASN   N   CA   sing N N 94  
ASN   N   H    sing N N 95  
ASN   N   H2   sing N N 96  
ASN   CA  C    sing N N 97  
ASN   CA  CB   sing N N 98  
ASN   CA  HA   sing N N 99  
ASN   C   O    doub N N 100 
ASN   C   OXT  sing N N 101 
ASN   CB  CG   sing N N 102 
ASN   CB  HB2  sing N N 103 
ASN   CB  HB3  sing N N 104 
ASN   CG  OD1  doub N N 105 
ASN   CG  ND2  sing N N 106 
ASN   ND2 HD21 sing N N 107 
ASN   ND2 HD22 sing N N 108 
ASN   OXT HXT  sing N N 109 
ASP   N   CA   sing N N 110 
ASP   N   H    sing N N 111 
ASP   N   H2   sing N N 112 
ASP   CA  C    sing N N 113 
ASP   CA  CB   sing N N 114 
ASP   CA  HA   sing N N 115 
ASP   C   O    doub N N 116 
ASP   C   OXT  sing N N 117 
ASP   CB  CG   sing N N 118 
ASP   CB  HB2  sing N N 119 
ASP   CB  HB3  sing N N 120 
ASP   CG  OD1  doub N N 121 
ASP   CG  OD2  sing N N 122 
ASP   OD2 HD2  sing N N 123 
ASP   OXT HXT  sing N N 124 
BMA   C1  C2   sing N N 125 
BMA   C1  O1   sing N N 126 
BMA   C1  O5   sing N N 127 
BMA   C1  H1   sing N N 128 
BMA   C2  C3   sing N N 129 
BMA   C2  O2   sing N N 130 
BMA   C2  H2   sing N N 131 
BMA   C3  C4   sing N N 132 
BMA   C3  O3   sing N N 133 
BMA   C3  H3   sing N N 134 
BMA   C4  C5   sing N N 135 
BMA   C4  O4   sing N N 136 
BMA   C4  H4   sing N N 137 
BMA   C5  C6   sing N N 138 
BMA   C5  O5   sing N N 139 
BMA   C5  H5   sing N N 140 
BMA   C6  O6   sing N N 141 
BMA   C6  H61  sing N N 142 
BMA   C6  H62  sing N N 143 
BMA   O1  HO1  sing N N 144 
BMA   O2  HO2  sing N N 145 
BMA   O3  HO3  sing N N 146 
BMA   O4  HO4  sing N N 147 
BMA   O6  HO6  sing N N 148 
CYS   N   CA   sing N N 149 
CYS   N   H    sing N N 150 
CYS   N   H2   sing N N 151 
CYS   CA  C    sing N N 152 
CYS   CA  CB   sing N N 153 
CYS   CA  HA   sing N N 154 
CYS   C   O    doub N N 155 
CYS   C   OXT  sing N N 156 
CYS   CB  SG   sing N N 157 
CYS   CB  HB2  sing N N 158 
CYS   CB  HB3  sing N N 159 
CYS   SG  HG   sing N N 160 
CYS   OXT HXT  sing N N 161 
GLN   N   CA   sing N N 162 
GLN   N   H    sing N N 163 
GLN   N   H2   sing N N 164 
GLN   CA  C    sing N N 165 
GLN   CA  CB   sing N N 166 
GLN   CA  HA   sing N N 167 
GLN   C   O    doub N N 168 
GLN   C   OXT  sing N N 169 
GLN   CB  CG   sing N N 170 
GLN   CB  HB2  sing N N 171 
GLN   CB  HB3  sing N N 172 
GLN   CG  CD   sing N N 173 
GLN   CG  HG2  sing N N 174 
GLN   CG  HG3  sing N N 175 
GLN   CD  OE1  doub N N 176 
GLN   CD  NE2  sing N N 177 
GLN   NE2 HE21 sing N N 178 
GLN   NE2 HE22 sing N N 179 
GLN   OXT HXT  sing N N 180 
GLU   N   CA   sing N N 181 
GLU   N   H    sing N N 182 
GLU   N   H2   sing N N 183 
GLU   CA  C    sing N N 184 
GLU   CA  CB   sing N N 185 
GLU   CA  HA   sing N N 186 
GLU   C   O    doub N N 187 
GLU   C   OXT  sing N N 188 
GLU   CB  CG   sing N N 189 
GLU   CB  HB2  sing N N 190 
GLU   CB  HB3  sing N N 191 
GLU   CG  CD   sing N N 192 
GLU   CG  HG2  sing N N 193 
GLU   CG  HG3  sing N N 194 
GLU   CD  OE1  doub N N 195 
GLU   CD  OE2  sing N N 196 
GLU   OE2 HE2  sing N N 197 
GLU   OXT HXT  sing N N 198 
GLY   N   CA   sing N N 199 
GLY   N   H    sing N N 200 
GLY   N   H2   sing N N 201 
GLY   CA  C    sing N N 202 
GLY   CA  HA2  sing N N 203 
GLY   CA  HA3  sing N N 204 
GLY   C   O    doub N N 205 
GLY   C   OXT  sing N N 206 
GLY   OXT HXT  sing N N 207 
HIS   N   CA   sing N N 208 
HIS   N   H    sing N N 209 
HIS   N   H2   sing N N 210 
HIS   CA  C    sing N N 211 
HIS   CA  CB   sing N N 212 
HIS   CA  HA   sing N N 213 
HIS   C   O    doub N N 214 
HIS   C   OXT  sing N N 215 
HIS   CB  CG   sing N N 216 
HIS   CB  HB2  sing N N 217 
HIS   CB  HB3  sing N N 218 
HIS   CG  ND1  sing Y N 219 
HIS   CG  CD2  doub Y N 220 
HIS   ND1 CE1  doub Y N 221 
HIS   ND1 HD1  sing N N 222 
HIS   CD2 NE2  sing Y N 223 
HIS   CD2 HD2  sing N N 224 
HIS   CE1 NE2  sing Y N 225 
HIS   CE1 HE1  sing N N 226 
HIS   NE2 HE2  sing N N 227 
HIS   OXT HXT  sing N N 228 
HOH   O   H1   sing N N 229 
HOH   O   H2   sing N N 230 
ILE   N   CA   sing N N 231 
ILE   N   H    sing N N 232 
ILE   N   H2   sing N N 233 
ILE   CA  C    sing N N 234 
ILE   CA  CB   sing N N 235 
ILE   CA  HA   sing N N 236 
ILE   C   O    doub N N 237 
ILE   C   OXT  sing N N 238 
ILE   CB  CG1  sing N N 239 
ILE   CB  CG2  sing N N 240 
ILE   CB  HB   sing N N 241 
ILE   CG1 CD1  sing N N 242 
ILE   CG1 HG12 sing N N 243 
ILE   CG1 HG13 sing N N 244 
ILE   CG2 HG21 sing N N 245 
ILE   CG2 HG22 sing N N 246 
ILE   CG2 HG23 sing N N 247 
ILE   CD1 HD11 sing N N 248 
ILE   CD1 HD12 sing N N 249 
ILE   CD1 HD13 sing N N 250 
ILE   OXT HXT  sing N N 251 
LEU   N   CA   sing N N 252 
LEU   N   H    sing N N 253 
LEU   N   H2   sing N N 254 
LEU   CA  C    sing N N 255 
LEU   CA  CB   sing N N 256 
LEU   CA  HA   sing N N 257 
LEU   C   O    doub N N 258 
LEU   C   OXT  sing N N 259 
LEU   CB  CG   sing N N 260 
LEU   CB  HB2  sing N N 261 
LEU   CB  HB3  sing N N 262 
LEU   CG  CD1  sing N N 263 
LEU   CG  CD2  sing N N 264 
LEU   CG  HG   sing N N 265 
LEU   CD1 HD11 sing N N 266 
LEU   CD1 HD12 sing N N 267 
LEU   CD1 HD13 sing N N 268 
LEU   CD2 HD21 sing N N 269 
LEU   CD2 HD22 sing N N 270 
LEU   CD2 HD23 sing N N 271 
LEU   OXT HXT  sing N N 272 
LYS   N   CA   sing N N 273 
LYS   N   H    sing N N 274 
LYS   N   H2   sing N N 275 
LYS   CA  C    sing N N 276 
LYS   CA  CB   sing N N 277 
LYS   CA  HA   sing N N 278 
LYS   C   O    doub N N 279 
LYS   C   OXT  sing N N 280 
LYS   CB  CG   sing N N 281 
LYS   CB  HB2  sing N N 282 
LYS   CB  HB3  sing N N 283 
LYS   CG  CD   sing N N 284 
LYS   CG  HG2  sing N N 285 
LYS   CG  HG3  sing N N 286 
LYS   CD  CE   sing N N 287 
LYS   CD  HD2  sing N N 288 
LYS   CD  HD3  sing N N 289 
LYS   CE  NZ   sing N N 290 
LYS   CE  HE2  sing N N 291 
LYS   CE  HE3  sing N N 292 
LYS   NZ  HZ1  sing N N 293 
LYS   NZ  HZ2  sing N N 294 
LYS   NZ  HZ3  sing N N 295 
LYS   OXT HXT  sing N N 296 
MAN   C1  C2   sing N N 297 
MAN   C1  O1   sing N N 298 
MAN   C1  O5   sing N N 299 
MAN   C1  H1   sing N N 300 
MAN   C2  C3   sing N N 301 
MAN   C2  O2   sing N N 302 
MAN   C2  H2   sing N N 303 
MAN   C3  C4   sing N N 304 
MAN   C3  O3   sing N N 305 
MAN   C3  H3   sing N N 306 
MAN   C4  C5   sing N N 307 
MAN   C4  O4   sing N N 308 
MAN   C4  H4   sing N N 309 
MAN   C5  C6   sing N N 310 
MAN   C5  O5   sing N N 311 
MAN   C5  H5   sing N N 312 
MAN   C6  O6   sing N N 313 
MAN   C6  H61  sing N N 314 
MAN   C6  H62  sing N N 315 
MAN   O1  HO1  sing N N 316 
MAN   O2  HO2  sing N N 317 
MAN   O3  HO3  sing N N 318 
MAN   O4  HO4  sing N N 319 
MAN   O6  HO6  sing N N 320 
MET   N   CA   sing N N 321 
MET   N   H    sing N N 322 
MET   N   H2   sing N N 323 
MET   CA  C    sing N N 324 
MET   CA  CB   sing N N 325 
MET   CA  HA   sing N N 326 
MET   C   O    doub N N 327 
MET   C   OXT  sing N N 328 
MET   CB  CG   sing N N 329 
MET   CB  HB2  sing N N 330 
MET   CB  HB3  sing N N 331 
MET   CG  SD   sing N N 332 
MET   CG  HG2  sing N N 333 
MET   CG  HG3  sing N N 334 
MET   SD  CE   sing N N 335 
MET   CE  HE1  sing N N 336 
MET   CE  HE2  sing N N 337 
MET   CE  HE3  sing N N 338 
MET   OXT HXT  sing N N 339 
NAG   C1  C2   sing N N 340 
NAG   C1  O1   sing N N 341 
NAG   C1  O5   sing N N 342 
NAG   C1  H1   sing N N 343 
NAG   C2  C3   sing N N 344 
NAG   C2  N2   sing N N 345 
NAG   C2  H2   sing N N 346 
NAG   C3  C4   sing N N 347 
NAG   C3  O3   sing N N 348 
NAG   C3  H3   sing N N 349 
NAG   C4  C5   sing N N 350 
NAG   C4  O4   sing N N 351 
NAG   C4  H4   sing N N 352 
NAG   C5  C6   sing N N 353 
NAG   C5  O5   sing N N 354 
NAG   C5  H5   sing N N 355 
NAG   C6  O6   sing N N 356 
NAG   C6  H61  sing N N 357 
NAG   C6  H62  sing N N 358 
NAG   C7  C8   sing N N 359 
NAG   C7  N2   sing N N 360 
NAG   C7  O7   doub N N 361 
NAG   C8  H81  sing N N 362 
NAG   C8  H82  sing N N 363 
NAG   C8  H83  sing N N 364 
NAG   N2  HN2  sing N N 365 
NAG   O1  HO1  sing N N 366 
NAG   O3  HO3  sing N N 367 
NAG   O4  HO4  sing N N 368 
NAG   O6  HO6  sing N N 369 
PHE   N   CA   sing N N 370 
PHE   N   H    sing N N 371 
PHE   N   H2   sing N N 372 
PHE   CA  C    sing N N 373 
PHE   CA  CB   sing N N 374 
PHE   CA  HA   sing N N 375 
PHE   C   O    doub N N 376 
PHE   C   OXT  sing N N 377 
PHE   CB  CG   sing N N 378 
PHE   CB  HB2  sing N N 379 
PHE   CB  HB3  sing N N 380 
PHE   CG  CD1  doub Y N 381 
PHE   CG  CD2  sing Y N 382 
PHE   CD1 CE1  sing Y N 383 
PHE   CD1 HD1  sing N N 384 
PHE   CD2 CE2  doub Y N 385 
PHE   CD2 HD2  sing N N 386 
PHE   CE1 CZ   doub Y N 387 
PHE   CE1 HE1  sing N N 388 
PHE   CE2 CZ   sing Y N 389 
PHE   CE2 HE2  sing N N 390 
PHE   CZ  HZ   sing N N 391 
PHE   OXT HXT  sing N N 392 
PRO   N   CA   sing N N 393 
PRO   N   CD   sing N N 394 
PRO   N   H    sing N N 395 
PRO   CA  C    sing N N 396 
PRO   CA  CB   sing N N 397 
PRO   CA  HA   sing N N 398 
PRO   C   O    doub N N 399 
PRO   C   OXT  sing N N 400 
PRO   CB  CG   sing N N 401 
PRO   CB  HB2  sing N N 402 
PRO   CB  HB3  sing N N 403 
PRO   CG  CD   sing N N 404 
PRO   CG  HG2  sing N N 405 
PRO   CG  HG3  sing N N 406 
PRO   CD  HD2  sing N N 407 
PRO   CD  HD3  sing N N 408 
PRO   OXT HXT  sing N N 409 
SER   N   CA   sing N N 410 
SER   N   H    sing N N 411 
SER   N   H2   sing N N 412 
SER   CA  C    sing N N 413 
SER   CA  CB   sing N N 414 
SER   CA  HA   sing N N 415 
SER   C   O    doub N N 416 
SER   C   OXT  sing N N 417 
SER   CB  OG   sing N N 418 
SER   CB  HB2  sing N N 419 
SER   CB  HB3  sing N N 420 
SER   OG  HG   sing N N 421 
SER   OXT HXT  sing N N 422 
THR   N   CA   sing N N 423 
THR   N   H    sing N N 424 
THR   N   H2   sing N N 425 
THR   CA  C    sing N N 426 
THR   CA  CB   sing N N 427 
THR   CA  HA   sing N N 428 
THR   C   O    doub N N 429 
THR   C   OXT  sing N N 430 
THR   CB  OG1  sing N N 431 
THR   CB  CG2  sing N N 432 
THR   CB  HB   sing N N 433 
THR   OG1 HG1  sing N N 434 
THR   CG2 HG21 sing N N 435 
THR   CG2 HG22 sing N N 436 
THR   CG2 HG23 sing N N 437 
THR   OXT HXT  sing N N 438 
TRP   N   CA   sing N N 439 
TRP   N   H    sing N N 440 
TRP   N   H2   sing N N 441 
TRP   CA  C    sing N N 442 
TRP   CA  CB   sing N N 443 
TRP   CA  HA   sing N N 444 
TRP   C   O    doub N N 445 
TRP   C   OXT  sing N N 446 
TRP   CB  CG   sing N N 447 
TRP   CB  HB2  sing N N 448 
TRP   CB  HB3  sing N N 449 
TRP   CG  CD1  doub Y N 450 
TRP   CG  CD2  sing Y N 451 
TRP   CD1 NE1  sing Y N 452 
TRP   CD1 HD1  sing N N 453 
TRP   CD2 CE2  doub Y N 454 
TRP   CD2 CE3  sing Y N 455 
TRP   NE1 CE2  sing Y N 456 
TRP   NE1 HE1  sing N N 457 
TRP   CE2 CZ2  sing Y N 458 
TRP   CE3 CZ3  doub Y N 459 
TRP   CE3 HE3  sing N N 460 
TRP   CZ2 CH2  doub Y N 461 
TRP   CZ2 HZ2  sing N N 462 
TRP   CZ3 CH2  sing Y N 463 
TRP   CZ3 HZ3  sing N N 464 
TRP   CH2 HH2  sing N N 465 
TRP   OXT HXT  sing N N 466 
TYR   N   CA   sing N N 467 
TYR   N   H    sing N N 468 
TYR   N   H2   sing N N 469 
TYR   CA  C    sing N N 470 
TYR   CA  CB   sing N N 471 
TYR   CA  HA   sing N N 472 
TYR   C   O    doub N N 473 
TYR   C   OXT  sing N N 474 
TYR   CB  CG   sing N N 475 
TYR   CB  HB2  sing N N 476 
TYR   CB  HB3  sing N N 477 
TYR   CG  CD1  doub Y N 478 
TYR   CG  CD2  sing Y N 479 
TYR   CD1 CE1  sing Y N 480 
TYR   CD1 HD1  sing N N 481 
TYR   CD2 CE2  doub Y N 482 
TYR   CD2 HD2  sing N N 483 
TYR   CE1 CZ   doub Y N 484 
TYR   CE1 HE1  sing N N 485 
TYR   CE2 CZ   sing Y N 486 
TYR   CE2 HE2  sing N N 487 
TYR   CZ  OH   sing N N 488 
TYR   OH  HH   sing N N 489 
TYR   OXT HXT  sing N N 490 
VAL   N   CA   sing N N 491 
VAL   N   H    sing N N 492 
VAL   N   H2   sing N N 493 
VAL   CA  C    sing N N 494 
VAL   CA  CB   sing N N 495 
VAL   CA  HA   sing N N 496 
VAL   C   O    doub N N 497 
VAL   C   OXT  sing N N 498 
VAL   CB  CG1  sing N N 499 
VAL   CB  CG2  sing N N 500 
VAL   CB  HB   sing N N 501 
VAL   CG1 HG11 sing N N 502 
VAL   CG1 HG12 sing N N 503 
VAL   CG1 HG13 sing N N 504 
VAL   CG2 HG21 sing N N 505 
VAL   CG2 HG22 sing N N 506 
VAL   CG2 HG23 sing N N 507 
VAL   OXT HXT  sing N N 508 
# 
_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 
2 BMA 3 n 
2 MAN 4 n 
3 NAG 1 n 
3 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                    9GCD 
_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]   0.013499 
_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]   0.013499 
_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]   0.020084 
_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   ? -20.933 -30.197 -10.629 1.000 28.464 0 16  ILE   AAA N   1 ? 
ATOM   2    C  CA  . ILE   A 1 1   ? -21.292 -29.211 -11.690 1.000 26.343 0 16  ILE   AAA CA  1 ? 
ATOM   3    C  C   . ILE   A 1 1   ? -22.599 -29.696 -12.311 1.000 28.117 0 16  ILE   AAA C   1 ? 
ATOM   4    O  O   . ILE   A 1 1   ? -22.666 -30.795 -12.813 1.000 27.824 0 16  ILE   AAA O   1 ? 
ATOM   5    C  CB  . ILE   A 1 1   ? -20.183 -29.047 -12.748 1.000 25.169 0 16  ILE   AAA CB  1 ? 
ATOM   6    C  CG1 . ILE   A 1 1   ? -18.848 -28.600 -12.149 1.000 30.609 0 16  ILE   AAA CG1 1 ? 
ATOM   7    C  CG2 . ILE   A 1 1   ? -20.597 -28.117 -13.877 1.000 27.990 0 16  ILE   AAA CG2 1 ? 
ATOM   8    C  CD1 . ILE   A 1 1   ? -18.762 -27.134 -11.786 1.000 31.222 0 16  ILE   AAA CD1 1 ? 
ATOM   9    N  N   . ILE   A 1 2   ? -23.611 -28.857 -12.220 1.000 29.769 0 17  ILE   AAA N   1 ? 
ATOM   10   C  CA  . ILE   A 1 2   ? -24.905 -29.064 -12.838 1.000 32.649 0 17  ILE   AAA CA  1 ? 
ATOM   11   C  C   . ILE   A 1 2   ? -24.959 -28.329 -14.170 1.000 29.893 0 17  ILE   AAA C   1 ? 
ATOM   12   O  O   . ILE   A 1 2   ? -24.728 -27.118 -14.253 1.000 28.043 0 17  ILE   AAA O   1 ? 
ATOM   13   C  CB  . ILE   A 1 2   ? -26.017 -28.570 -11.888 1.000 32.333 0 17  ILE   AAA CB  1 ? 
ATOM   14   C  CG1 . ILE   A 1 2   ? -25.959 -29.312 -10.550 1.000 35.162 0 17  ILE   AAA CG1 1 ? 
ATOM   15   C  CG2 . ILE   A 1 2   ? -27.380 -28.695 -12.579 1.000 33.188 0 17  ILE   AAA CG2 1 ? 
ATOM   16   C  CD1 . ILE   A 1 2   ? -26.939 -28.790 -9.514  1.000 38.697 0 17  ILE   AAA CD1 1 ? 
ATOM   17   N  N   . GLY   A 1 3   ? -25.340 -29.074 -15.223 1.000 32.541 0 18  GLY   AAA N   1 ? 
ATOM   18   C  CA  . GLY   A 1 3   ? -25.670 -28.479 -16.510 1.000 30.751 0 18  GLY   AAA CA  1 ? 
ATOM   19   C  C   . GLY   A 1 3   ? -24.433 -28.143 -17.331 1.000 31.751 0 18  GLY   AAA C   1 ? 
ATOM   20   O  O   . GLY   A 1 3   ? -24.497 -27.289 -18.198 1.000 32.322 0 18  GLY   AAA O   1 ? 
ATOM   21   N  N   . GLY   A 1 4   ? -23.301 -28.778 -17.003 1.000 32.307 0 19  GLY   AAA N   1 ? 
ATOM   22   C  CA  . GLY   A 1 4   ? -22.027 -28.477 -17.626 1.000 33.322 0 19  GLY   AAA CA  1 ? 
ATOM   23   C  C   . GLY   A 1 4   ? -21.680 -29.574 -18.632 1.000 33.541 0 19  GLY   AAA C   1 ? 
ATOM   24   O  O   . GLY   A 1 4   ? -22.552 -30.358 -19.007 1.000 31.514 0 19  GLY   AAA O   1 ? 
ATOM   25   N  N   . THR   A 1 5   ? -20.412 -29.610 -19.036 1.000 32.499 0 20  THR   AAA N   1 ? 
ATOM   26   C  CA  . THR   A 1 5   ? -19.890 -30.571 -19.987 1.000 35.099 0 20  THR   AAA CA  1 ? 
ATOM   27   C  C   . THR   A 1 5   ? -18.605 -31.171 -19.417 1.000 35.088 0 20  THR   AAA C   1 ? 
ATOM   28   O  O   . THR   A 1 5   ? -17.907 -30.520 -18.641 1.000 32.222 0 20  THR   AAA O   1 ? 
ATOM   29   C  CB  . THR   A 1 5   ? -19.685 -29.868 -21.331 1.000 34.754 0 20  THR   AAA CB  1 ? 
ATOM   30   O  OG1 . THR   A 1 5   ? -18.803 -28.770 -21.147 1.000 37.870 0 20  THR   AAA OG1 1 ? 
ATOM   31   C  CG2 . THR   A 1 5   ? -20.973 -29.323 -21.907 1.000 38.362 0 20  THR   AAA CG2 1 ? 
ATOM   32   N  N   . GLU   A 1 6   ? -18.291 -32.403 -19.818 1.000 31.417 0 21  GLU   AAA N   1 ? 
ATOM   33   C  CA  . GLU   A 1 6   ? -17.020 -33.001 -19.455 1.000 30.256 0 21  GLU   AAA CA  1 ? 
ATOM   34   C  C   . GLU   A 1 6   ? -15.887 -32.174 -20.057 1.000 29.835 0 21  GLU   AAA C   1 ? 
ATOM   35   O  O   . GLU   A 1 6   ? -15.892 -31.868 -21.252 1.000 30.014 0 21  GLU   AAA O   1 ? 
ATOM   36   C  CB  . GLU   A 1 6   ? -16.962 -34.442 -19.963 1.000 35.715 0 21  GLU   AAA CB  1 ? 
ATOM   37   C  CG  . GLU   A 1 6   ? -15.701 -35.162 -19.547 1.000 32.012 0 21  GLU   AAA CG  1 ? 
ATOM   38   C  CD  . GLU   A 1 6   ? -15.599 -36.602 -19.999 1.000 38.884 0 21  GLU   AAA CD  1 ? 
ATOM   39   O  OE1 . GLU   A 1 6   ? -16.571 -37.084 -20.594 1.000 39.902 0 21  GLU   AAA OE1 1 ? 
ATOM   40   O  OE2 . GLU   A 1 6   ? -14.520 -37.204 -19.804 1.000 32.854 0 21  GLU   AAA OE2 1 ? 
ATOM   41   N  N   . CYS   A 1 7   ? -14.875 -31.859 -19.242 1.000 28.598 0 22  CYS   AAA N   1 ? 
ATOM   42   C  CA  . CYS   A 1 7   ? -13.685 -31.165 -19.706 1.000 30.454 0 22  CYS   AAA CA  1 ? 
ATOM   43   C  C   . CYS   A 1 7   ? -12.926 -32.051 -20.675 1.000 29.733 0 22  CYS   AAA C   1 ? 
ATOM   44   O  O   . CYS   A 1 7   ? -12.929 -33.254 -20.529 1.000 29.409 0 22  CYS   AAA O   1 ? 
ATOM   45   C  CB  . CYS   A 1 7   ? -12.728 -30.791 -18.579 1.000 30.362 0 22  CYS   AAA CB  1 ? 
ATOM   46   S  SG  . CYS   A 1 7   ? -13.470 -29.627 -17.411 1.000 30.325 0 22  CYS   AAA SG  1 ? 
ATOM   47   N  N   . LYS   A 1 8   ? -12.288 -31.438 -21.667 1.000 30.917 0 23  LYS   AAA N   1 ? 
ATOM   48   C  CA  . LYS   A 1 8   ? -11.242 -32.138 -22.392 1.000 33.475 0 23  LYS   AAA CA  1 ? 
ATOM   49   C  C   . LYS   A 1 8   ? -10.178 -32.577 -21.381 1.000 31.285 0 23  LYS   AAA C   1 ? 
ATOM   50   O  O   . LYS   A 1 8   ? -9.756  -31.798 -20.513 1.000 28.322 0 23  LYS   AAA O   1 ? 
ATOM   51   C  CB  . LYS   A 1 8   ? -10.657 -31.260 -23.495 1.000 36.341 0 23  LYS   AAA CB  1 ? 
ATOM   52   C  CG  . LYS   A 1 8   ? -9.599  -31.966 -24.334 1.000 41.265 0 23  LYS   AAA CG  1 ? 
ATOM   53   C  CD  . LYS   A 1 8   ? -8.433  -31.077 -24.615 1.000 50.435 0 23  LYS   AAA CD  1 ? 
ATOM   54   C  CE  . LYS   A 1 8   ? -8.358  -30.543 -26.017 1.000 54.257 0 23  LYS   AAA CE  1 ? 
ATOM   55   N  NZ  . LYS   A 1 8   ? -7.464  -31.413 -26.807 1.000 59.512 0 23  LYS   AAA NZ  1 ? 
ATOM   56   N  N   . PRO   A 1 9   ? -9.834  -33.867 -21.313 1.000 28.209 0 24  PRO   AAA N   1 ? 
ATOM   57   C  CA  . PRO   A 1 9   ? -8.957  -34.314 -20.231 1.000 28.122 0 24  PRO   AAA CA  1 ? 
ATOM   58   C  C   . PRO   A 1 9   ? -7.651  -33.517 -20.154 1.000 27.401 0 24  PRO   AAA C   1 ? 
ATOM   59   O  O   . PRO   A 1 9   ? -7.017  -33.260 -21.161 1.000 27.501 0 24  PRO   AAA O   1 ? 
ATOM   60   C  CB  . PRO   A 1 9   ? -8.753  -35.801 -20.497 1.000 29.959 0 24  PRO   AAA CB  1 ? 
ATOM   61   C  CG  . PRO   A 1 9   ? -9.968  -36.217 -21.344 1.000 32.620 0 24  PRO   AAA CG  1 ? 
ATOM   62   C  CD  . PRO   A 1 9   ? -10.348 -34.982 -22.137 1.000 29.933 0 24  PRO   AAA CD  1 ? 
ATOM   63   N  N   . HIS   A 1 10  ? -7.326  -33.053 -18.938 1.000 26.645 0 25  HIS   AAA N   1 ? 
ATOM   64   C  CA  . HIS   A 1 10  ? -6.078  -32.358 -18.635 1.000 24.477 0 25  HIS   AAA CA  1 ? 
ATOM   65   C  C   . HIS   A 1 10  ? -6.049  -30.936 -19.200 1.000 26.619 0 25  HIS   AAA C   1 ? 
ATOM   66   O  O   . HIS   A 1 10  ? -4.995  -30.312 -19.161 1.000 25.487 0 25  HIS   AAA O   1 ? 
ATOM   67   C  CB  . HIS   A 1 10  ? -4.844  -33.180 -19.036 1.000 26.348 0 25  HIS   AAA CB  1 ? 
ATOM   68   C  CG  . HIS   A 1 10  ? -4.921  -34.590 -18.542 1.000 23.108 0 25  HIS   AAA CG  1 ? 
ATOM   69   N  ND1 . HIS   A 1 10  ? -5.091  -34.980 -17.232 1.000 24.429 0 25  HIS   AAA ND1 1 ? 
ATOM   70   C  CD2 . HIS   A 1 10  ? -4.909  -35.725 -19.271 1.000 28.088 0 25  HIS   AAA CD2 1 ? 
ATOM   71   C  CE1 . HIS   A 1 10  ? -5.154  -36.328 -17.185 1.000 25.635 0 25  HIS   AAA CE1 1 ? 
ATOM   72   N  NE2 . HIS   A 1 10  ? -5.030  -36.785 -18.409 1.000 26.990 0 25  HIS   AAA NE2 1 ? 
ATOM   73   N  N   . SER   A 1 11  ? -7.196  -30.405 -19.627 1.000 27.182 0 26  SER   AAA N   1 ? 
ATOM   74   C  CA  . SER   A 1 11  ? -7.260  -29.074 -20.220 1.000 28.980 0 26  SER   AAA CA  1 ? 
ATOM   75   C  C   . SER   A 1 11  ? -7.224  -27.967 -19.167 1.000 27.103 0 26  SER   AAA C   1 ? 
ATOM   76   O  O   . SER   A 1 11  ? -7.045  -26.802 -19.506 1.000 24.948 0 26  SER   AAA O   1 ? 
ATOM   77   C  CB  . SER   A 1 11  ? -8.473  -28.891 -21.112 1.000 30.406 0 26  SER   AAA CB  1 ? 
ATOM   78   O  OG  . SER   A 1 11  ? -9.686  -29.159 -20.404 1.000 27.653 0 26  SER   AAA OG  1 ? 
ATOM   79   N  N   . ARG   A 1 12  ? -7.327  -28.333 -17.896 1.000 24.334 0 27  ARG   AAA N   1 ? 
ATOM   80   C  CA  . ARG   A 1 12  ? -7.316  -27.388 -16.785 1.000 28.456 0 27  ARG   AAA CA  1 ? 
ATOM   81   C  C   . ARG   A 1 12  ? -6.264  -27.871 -15.790 1.000 24.263 0 27  ARG   AAA C   1 ? 
ATOM   82   O  O   . ARG   A 1 12  ? -6.568  -28.367 -14.684 1.000 23.292 0 27  ARG   AAA O   1 ? 
ATOM   83   C  CB  . ARG   A 1 12  ? -8.715  -27.299 -16.166 1.000 26.406 0 27  ARG   AAA CB  1 ? 
ATOM   84   C  CG  . ARG   A 1 12  ? -9.764  -26.654 -17.078 1.000 28.440 0 27  ARG   AAA CG  1 ? 
ATOM   85   C  CD  . ARG   A 1 12  ? -11.115 -26.524 -16.387 1.000 35.878 0 27  ARG   AAA CD  1 ? 
ATOM   86   N  NE  . ARG   A 1 12  ? -12.143 -25.793 -17.151 1.000 44.595 0 27  ARG   AAA NE  1 ? 
ATOM   87   C  CZ  . ARG   A 1 12  ? -12.174 -24.476 -17.360 1.000 48.959 0 27  ARG   AAA CZ  1 ? 
ATOM   88   N  NH1 . ARG   A 1 12  ? -11.325 -23.666 -16.740 1.000 44.013 0 27  ARG   AAA NH1 1 ? 
ATOM   89   N  NH2 . ARG   A 1 12  ? -13.076 -23.967 -18.184 1.000 48.795 0 27  ARG   AAA NH2 1 ? 
ATOM   90   N  N   . PRO   A 1 13  ? -4.982  -27.759 -16.171 1.000 24.237 0 28  PRO   AAA N   1 ? 
ATOM   91   C  CA  . PRO   A 1 13  ? -3.919  -28.500 -15.488 1.000 25.111 0 28  PRO   AAA CA  1 ? 
ATOM   92   C  C   . PRO   A 1 13  ? -3.596  -28.016 -14.078 1.000 24.053 0 28  PRO   AAA C   1 ? 
ATOM   93   O  O   . PRO   A 1 13  ? -2.872  -28.693 -13.343 1.000 23.905 0 28  PRO   AAA O   1 ? 
ATOM   94   C  CB  . PRO   A 1 13  ? -2.699  -28.361 -16.433 1.000 28.185 0 28  PRO   AAA CB  1 ? 
ATOM   95   C  CG  . PRO   A 1 13  ? -2.990  -27.162 -17.296 1.000 27.430 0 28  PRO   AAA CG  1 ? 
ATOM   96   C  CD  . PRO   A 1 13  ? -4.494  -27.019 -17.340 1.000 27.893 0 28  PRO   AAA CD  1 ? 
ATOM   97   N  N   . TYR   A 1 14  ? -4.219  -26.907 -13.665 1.000 24.927 0 29  TYR   AAA N   1 ? 
ATOM   98   C  CA  . TYR   A 1 14  ? -4.080  -26.399 -12.308 1.000 23.479 0 29  TYR   AAA CA  1 ? 
ATOM   99   C  C   . TYR   A 1 14  ? -5.112  -27.011 -11.341 1.000 26.758 0 29  TYR   AAA C   1 ? 
ATOM   100  O  O   . TYR   A 1 14  ? -5.057  -26.733 -10.156 1.000 23.003 0 29  TYR   AAA O   1 ? 
ATOM   101  C  CB  . TYR   A 1 14  ? -4.270  -24.873 -12.329 1.000 23.166 0 29  TYR   AAA CB  1 ? 
ATOM   102  C  CG  . TYR   A 1 14  ? -5.448  -24.459 -13.175 1.000 22.690 0 29  TYR   AAA CG  1 ? 
ATOM   103  C  CD1 . TYR   A 1 14  ? -6.751  -24.563 -12.713 1.000 22.453 0 29  TYR   AAA CD1 1 ? 
ATOM   104  C  CD2 . TYR   A 1 14  ? -5.264  -24.068 -14.485 1.000 24.713 0 29  TYR   AAA CD2 1 ? 
ATOM   105  C  CE1 . TYR   A 1 14  ? -7.838  -24.255 -13.523 1.000 22.166 0 29  TYR   AAA CE1 1 ? 
ATOM   106  C  CE2 . TYR   A 1 14  ? -6.341  -23.788 -15.313 1.000 25.540 0 29  TYR   AAA CE2 1 ? 
ATOM   107  C  CZ  . TYR   A 1 14  ? -7.627  -23.843 -14.819 1.000 25.471 0 29  TYR   AAA CZ  1 ? 
ATOM   108  O  OH  . TYR   A 1 14  ? -8.703  -23.525 -15.652 1.000 28.067 0 29  TYR   AAA OH  1 ? 
ATOM   109  N  N   . MET   A 1 15  ? -6.083  -27.795 -11.815 1.000 24.769 0 30  MET   AAA N   1 ? 
ATOM   110  C  CA  . MET   A 1 15  ? -7.164  -28.256 -10.960 1.000 22.484 0 30  MET   AAA CA  1 ? 
ATOM   111  C  C   . MET   A 1 15  ? -6.623  -29.279 -9.964  1.000 22.955 0 30  MET   AAA C   1 ? 
ATOM   112  O  O   . MET   A 1 15  ? -5.836  -30.168 -10.314 1.000 24.871 0 30  MET   AAA O   1 ? 
ATOM   113  C  CB  . MET   A 1 15  ? -8.326  -28.838 -11.782 1.000 23.574 0 30  MET   AAA CB  1 ? 
ATOM   114  C  CG  . MET   A 1 15  ? -9.116  -27.762 -12.502 1.000 24.442 0 30  MET   AAA CG  1 ? 
ATOM   115  S  SD  . MET   A 1 15  ? -9.964  -26.614 -11.345 1.000 25.811 0 30  MET   AAA SD  1 ? 
ATOM   116  C  CE  . MET   A 1 15  ? -10.811 -27.782 -10.285 1.000 25.295 0 30  MET   AAA CE  1 ? 
ATOM   117  N  N   . ALA   A 1 16  ? -7.119  -29.179 -8.729  1.000 22.942 0 31  ALA   AAA N   1 ? 
ATOM   118  C  CA  . ALA   A 1 16  ? -6.734  -30.063 -7.646  1.000 23.069 0 31  ALA   AAA CA  1 ? 
ATOM   119  C  C   . ALA   A 1 16  ? -7.993  -30.707 -7.087  1.000 22.387 0 31  ALA   AAA C   1 ? 
ATOM   120  O  O   . ALA   A 1 16  ? -9.019  -30.044 -6.901  1.000 23.090 0 31  ALA   AAA O   1 ? 
ATOM   121  C  CB  . ALA   A 1 16  ? -6.017  -29.305 -6.564  1.000 23.527 0 31  ALA   AAA CB  1 ? 
ATOM   122  N  N   . TYR   A 1 17  ? -7.897  -32.014 -6.854  1.000 22.432 0 32  TYR   AAA N   1 ? 
ATOM   123  C  CA  . TYR   A 1 17  ? -8.951  -32.778 -6.217  1.000 21.708 0 32  TYR   AAA CA  1 ? 
ATOM   124  C  C   . TYR   A 1 17  ? -8.489  -33.039 -4.797  1.000 22.105 0 32  TYR   AAA C   1 ? 
ATOM   125  O  O   . TYR   A 1 17  ? -7.391  -33.571 -4.600  1.000 24.211 0 32  TYR   AAA O   1 ? 
ATOM   126  C  CB  . TYR   A 1 17  ? -9.182  -34.086 -6.954  1.000 23.995 0 32  TYR   AAA CB  1 ? 
ATOM   127  C  CG  . TYR   A 1 17  ? -10.233 -35.028 -6.409  1.000 23.948 0 32  TYR   AAA CG  1 ? 
ATOM   128  C  CD1 . TYR   A 1 17  ? -11.580 -34.893 -6.711  1.000 24.237 0 32  TYR   AAA CD1 1 ? 
ATOM   129  C  CD2 . TYR   A 1 17  ? -9.864  -36.094 -5.604  1.000 28.098 0 32  TYR   AAA CD2 1 ? 
ATOM   130  C  CE1 . TYR   A 1 17  ? -12.521 -35.794 -6.240  1.000 25.421 0 32  TYR   AAA CE1 1 ? 
ATOM   131  C  CE2 . TYR   A 1 17  ? -10.787 -36.995 -5.117  1.000 31.377 0 32  TYR   AAA CE2 1 ? 
ATOM   132  C  CZ  . TYR   A 1 17  ? -12.128 -36.856 -5.452  1.000 30.275 0 32  TYR   AAA CZ  1 ? 
ATOM   133  O  OH  . TYR   A 1 17  ? -13.076 -37.775 -5.029  1.000 29.606 0 32  TYR   AAA OH  1 ? 
ATOM   134  N  N   . LEU   A 1 18  ? -9.321  -32.630 -3.843  1.000 22.347 0 33  LEU   AAA N   1 ? 
ATOM   135  C  CA  . LEU   A 1 18  ? -8.954  -32.699 -2.437  1.000 21.868 0 33  LEU   AAA CA  1 ? 
ATOM   136  C  C   . LEU   A 1 18  ? -9.805  -33.780 -1.778  1.000 22.329 0 33  LEU   AAA C   1 ? 
ATOM   137  O  O   . LEU   A 1 18  ? -11.031 -33.718 -1.811  1.000 22.916 0 33  LEU   AAA O   1 ? 
ATOM   138  C  CB  . LEU   A 1 18  ? -9.225  -31.368 -1.734  1.000 23.048 0 33  LEU   AAA CB  1 ? 
ATOM   139  C  CG  . LEU   A 1 18  ? -8.233  -30.222 -1.928  1.000 24.550 0 33  LEU   AAA CG  1 ? 
ATOM   140  C  CD1 . LEU   A 1 18  ? -7.905  -29.954 -3.375  1.000 25.727 0 33  LEU   AAA CD1 1 ? 
ATOM   141  C  CD2 . LEU   A 1 18  ? -8.792  -28.944 -1.277  1.000 23.219 0 33  LEU   AAA CD2 1 ? 
ATOM   142  N  N   . GLU   A 1 19  ? -9.125  -34.648 -1.024  1.000 24.069 0 34  GLU   AAA N   1 ? 
ATOM   143  C  CA  . GLU   A 1 19  ? -9.840  -35.634 -0.177  1.000 23.995 0 34  GLU   AAA CA  1 ? 
ATOM   144  C  C   . GLU   A 1 19  ? -9.559  -35.191 1.263   1.000 24.824 0 34  GLU   AAA C   1 ? 
ATOM   145  O  O   . GLU   A 1 19  ? -8.378  -35.184 1.651   1.000 24.492 0 34  GLU   AAA O   1 ? 
ATOM   146  C  CB  . GLU   A 1 19  ? -9.350  -37.058 -0.424  1.000 27.522 0 34  GLU   AAA CB  1 ? 
ATOM   147  C  CG  . GLU   A 1 19  ? -9.913  -38.054 0.572   1.000 31.085 0 34  GLU   AAA CG  1 ? 
ATOM   148  C  CD  . GLU   A 1 19  ? -9.950  -39.492 0.085   1.000 39.165 0 34  GLU   AAA CD  1 ? 
ATOM   149  O  OE1 . GLU   A 1 19  ? -9.376  -39.766 -0.983  1.000 39.381 0 34  GLU   AAA OE1 1 ? 
ATOM   150  O  OE2 . GLU   A 1 19  ? -10.551 -40.332 0.779   1.000 49.685 0 34  GLU   AAA OE2 1 ? 
ATOM   151  N  N   . ILE   A 1 20  ? -10.595 -34.819 2.011   1.000 24.374 0 35  ILE   AAA N   1 ? 
ATOM   152  C  CA  . ILE   A 1 20  ? -10.385 -34.238 3.368   1.000 26.706 0 35  ILE   AAA CA  1 ? 
ATOM   153  C  C   . ILE   A 1 20  ? -10.777 -35.248 4.446   1.000 26.930 0 35  ILE   AAA C   1 ? 
ATOM   154  O  O   . ILE   A 1 20  ? -11.880 -35.803 4.363   1.000 28.498 0 35  ILE   AAA O   1 ? 
ATOM   155  C  CB  . ILE   A 1 20  ? -11.188 -32.931 3.504   1.000 27.759 0 35  ILE   AAA CB  1 ? 
ATOM   156  C  CG1 . ILE   A 1 20  ? -10.789 -31.925 2.420   1.000 27.864 0 35  ILE   AAA CG1 1 ? 
ATOM   157  C  CG2 . ILE   A 1 20  ? -11.049 -32.346 4.898   1.000 29.622 0 35  ILE   AAA CG2 1 ? 
ATOM   158  C  CD1 . ILE   A 1 20  ? -11.874 -31.645 1.412   1.000 30.927 0 35  ILE   AAA CD1 1 ? 
ATOM   159  N  N   . VAL   A 1 21  ? -9.905  -35.421 5.437   1.000 27.580 0 36  VAL   AAA N   1 ? 
ATOM   160  C  CA  . VAL   A 1 21  ? -10.175 -36.384 6.540   1.000 31.727 0 36  VAL   AAA CA  1 ? 
ATOM   161  C  C   . VAL   A 1 21  ? -10.708 -35.643 7.771   1.000 34.444 0 36  VAL   AAA C   1 ? 
ATOM   162  O  O   . VAL   A 1 21  ? -10.141 -34.587 8.097   1.000 29.396 0 36  VAL   AAA O   1 ? 
ATOM   163  C  CB  . VAL   A 1 21  ? -8.902  -37.178 6.895   1.000 33.517 0 36  VAL   AAA CB  1 ? 
ATOM   164  C  CG1 . VAL   A 1 21  ? -9.069  -37.983 8.173   1.000 37.657 0 36  VAL   AAA CG1 1 ? 
ATOM   165  C  CG2 . VAL   A 1 21  ? -8.452  -38.065 5.746   1.000 36.789 0 36  VAL   AAA CG2 1 ? 
ATOM   166  N  N   . THR   A 1 22  A -11.764 -36.167 8.398   1.000 34.744 0 36  THR   AAA N   1 ? 
ATOM   167  C  CA  . THR   A 1 22  A -12.293 -35.627 9.677   1.000 42.379 0 36  THR   AAA CA  1 ? 
ATOM   168  C  C   . THR   A 1 22  A -12.134 -36.741 10.715  1.000 39.136 0 36  THR   AAA C   1 ? 
ATOM   169  O  O   . THR   A 1 22  A -12.268 -37.905 10.293  1.000 43.074 0 36  THR   AAA O   1 ? 
ATOM   170  C  CB  . THR   A 1 22  A -13.785 -35.319 9.565   1.000 46.498 0 36  THR   AAA CB  1 ? 
ATOM   171  O  OG1 . THR   A 1 22  A -14.435 -36.475 9.037   1.000 42.721 0 36  THR   AAA OG1 1 ? 
ATOM   172  C  CG2 . THR   A 1 22  A -14.081 -34.137 8.672   1.000 52.601 0 36  THR   AAA CG2 1 ? 
ATOM   173  N  N   . SER   A 1 23  B -11.900 -36.424 11.999  1.000 52.043 0 36  SER   AAA N   1 ? 
ATOM   174  C  CA  . SER   A 1 23  B -11.657 -37.496 12.981  1.000 52.646 0 36  SER   AAA CA  1 ? 
ATOM   175  C  C   . SER   A 1 23  B -12.895 -38.364 13.288  1.000 51.454 0 36  SER   AAA C   1 ? 
ATOM   176  O  O   . SER   A 1 23  B -12.712 -39.566 13.604  1.000 45.098 0 36  SER   AAA O   1 ? 
ATOM   177  C  CB  . SER   A 1 23  B -11.025 -36.977 14.266  1.000 60.649 0 36  SER   AAA CB  1 ? 
ATOM   178  O  OG  . SER   A 1 23  B -9.604  -36.896 14.138  1.000 63.521 0 36  SER   AAA OG  1 ? 
ATOM   179  N  N   . ASN   A 1 24  C -14.110 -37.779 13.102  1.000 44.992 0 36  ASN   AAA N   1 ? 
ATOM   180  C  CA  . ASN   A 1 24  C -15.411 -38.352 13.467  1.000 43.879 0 36  ASN   AAA CA  1 ? 
ATOM   181  C  C   . ASN   A 1 24  C -16.375 -38.565 12.283  1.000 38.191 0 36  ASN   AAA C   1 ? 
ATOM   182  O  O   . ASN   A 1 24  C -17.586 -38.737 12.465  1.000 35.225 0 36  ASN   AAA O   1 ? 
ATOM   183  C  CB  . ASN   A 1 24  C -16.152 -37.404 14.413  1.000 47.200 0 36  ASN   AAA CB  1 ? 
ATOM   184  C  CG  . ASN   A 1 24  C -16.277 -36.043 13.766  1.000 56.936 0 36  ASN   AAA CG  1 ? 
ATOM   185  O  OD1 . ASN   A 1 24  C -15.655 -35.801 12.724  1.000 51.964 0 36  ASN   AAA OD1 1 ? 
ATOM   186  N  ND2 . ASN   A 1 24  C -17.013 -35.140 14.398  1.000 60.955 0 36  ASN   AAA ND2 1 ? 
ATOM   187  N  N   . GLY   A 1 25  ? -15.867 -38.575 11.049  1.000 34.854 0 37  GLY   AAA N   1 ? 
ATOM   188  C  CA  . GLY   A 1 25  ? -16.702 -38.843 9.893   1.000 33.159 0 37  GLY   AAA CA  1 ? 
ATOM   189  C  C   . GLY   A 1 25  ? -15.876 -39.433 8.761   1.000 30.393 0 37  GLY   AAA C   1 ? 
ATOM   190  O  O   . GLY   A 1 25  ? -14.643 -39.502 8.855   1.000 28.551 0 37  GLY   AAA O   1 ? 
ATOM   191  N  N   . PRO   A 1 26  ? -16.529 -39.981 7.704   1.000 28.040 0 38  PRO   AAA N   1 ? 
ATOM   192  C  CA  . PRO   A 1 26  ? -15.799 -40.406 6.516   1.000 27.843 0 38  PRO   AAA CA  1 ? 
ATOM   193  C  C   . PRO   A 1 26  ? -15.258 -39.184 5.778   1.000 25.279 0 38  PRO   AAA C   1 ? 
ATOM   194  O  O   . PRO   A 1 26  ? -15.549 -38.045 6.136   1.000 26.022 0 38  PRO   AAA O   1 ? 
ATOM   195  C  CB  . PRO   A 1 26  ? -16.854 -41.241 5.750   1.000 28.919 0 38  PRO   AAA CB  1 ? 
ATOM   196  C  CG  . PRO   A 1 26  ? -18.141 -40.609 6.123   1.000 28.996 0 38  PRO   AAA CG  1 ? 
ATOM   197  C  CD  . PRO   A 1 26  ? -17.969 -40.262 7.598   1.000 29.804 0 38  PRO   AAA CD  1 ? 
ATOM   198  N  N   . SER   A 1 27  ? -14.422 -39.472 4.768   1.000 26.806 0 39  SER   AAA N   1 ? 
ATOM   199  C  CA  . SER   A 1 27  ? -13.808 -38.494 3.885   1.000 29.327 0 39  SER   AAA CA  1 ? 
ATOM   200  C  C   . SER   A 1 27  ? -14.853 -37.609 3.230   1.000 27.885 0 39  SER   AAA C   1 ? 
ATOM   201  O  O   . SER   A 1 27  ? -15.957 -38.043 2.909   1.000 28.153 0 39  SER   AAA O   1 ? 
ATOM   202  C  CB  . SER   A 1 27  ? -13.008 -39.207 2.801   1.000 29.335 0 39  SER   AAA CB  1 ? 
ATOM   203  O  OG  . SER   A 1 27  ? -11.899 -39.861 3.355   1.000 36.339 0 39  SER   AAA OG  1 ? 
ATOM   204  N  N   . LYS   A 1 28  ? -14.460 -36.353 3.019   1.000 27.214 0 40  LYS   AAA N   1 ? 
ATOM   205  C  CA  . LYS   A 1 28  ? -15.198 -35.407 2.198   1.000 30.517 0 40  LYS   AAA CA  1 ? 
ATOM   206  C  C   . LYS   A 1 28  ? -14.277 -34.954 1.061   1.000 25.729 0 40  LYS   AAA C   1 ? 
ATOM   207  O  O   . LYS   A 1 28  ? -13.053 -35.190 1.082   1.000 24.321 0 40  LYS   AAA O   1 ? 
ATOM   208  C  CB  . LYS   A 1 28  ? -15.696 -34.201 3.006   1.000 34.849 0 40  LYS   AAA CB  1 ? 
ATOM   209  C  CG  . LYS   A 1 28  ? -16.778 -34.490 4.052   1.000 44.684 0 40  LYS   AAA CG  1 ? 
ATOM   210  C  CD  . LYS   A 1 28  ? -18.228 -34.361 3.555   1.000 58.820 0 40  LYS   AAA CD  1 ? 
ATOM   211  C  CE  . LYS   A 1 28  ? -19.302 -34.962 4.460   1.000 63.647 0 40  LYS   AAA CE  1 ? 
ATOM   212  N  NZ  . LYS   A 1 28  ? -19.399 -36.452 4.374   1.000 52.888 0 40  LYS   AAA NZ  1 ? 
ATOM   213  N  N   . PHE   A 1 29  ? -14.884 -34.293 0.072   1.000 25.040 0 41  PHE   AAA N   1 ? 
ATOM   214  C  CA  . PHE   A 1 29  ? -14.180 -33.945 -1.158  1.000 25.324 0 41  PHE   AAA CA  1 ? 
ATOM   215  C  C   . PHE   A 1 29  ? -14.438 -32.470 -1.511  1.000 23.758 0 41  PHE   AAA C   1 ? 
ATOM   216  O  O   . PHE   A 1 29  ? -15.518 -31.887 -1.260  1.000 25.377 0 41  PHE   AAA O   1 ? 
ATOM   217  C  CB  . PHE   A 1 29  ? -14.523 -34.965 -2.259  1.000 29.467 0 41  PHE   AAA CB  1 ? 
ATOM   218  C  CG  . PHE   A 1 29  ? -14.336 -36.413 -1.829  1.000 31.172 0 41  PHE   AAA CG  1 ? 
ATOM   219  C  CD1 . PHE   A 1 29  ? -15.332 -37.093 -1.115  1.000 36.033 0 41  PHE   AAA CD1 1 ? 
ATOM   220  C  CD2 . PHE   A 1 29  ? -13.147 -37.087 -2.067  1.000 37.370 0 41  PHE   AAA CD2 1 ? 
ATOM   221  C  CE1 . PHE   A 1 29  ? -15.153 -38.414 -0.685  1.000 36.089 0 41  PHE   AAA CE1 1 ? 
ATOM   222  C  CE2 . PHE   A 1 29  ? -12.969 -38.408 -1.647  1.000 37.157 0 41  PHE   AAA CE2 1 ? 
ATOM   223  C  CZ  . PHE   A 1 29  ? -13.967 -39.059 -0.940  1.000 35.588 0 41  PHE   AAA CZ  1 ? 
ATOM   224  N  N   . CYS   A 1 30  ? -13.408 -31.878 -2.110  1.000 21.850 0 42  CYS   AAA N   1 ? 
ATOM   225  C  CA  . CYS   A 1 30  ? -13.528 -30.471 -2.547  1.000 19.434 0 42  CYS   AAA CA  1 ? 
ATOM   226  C  C   . CYS   A 1 30  ? -12.635 -30.249 -3.761  1.000 20.660 0 42  CYS   AAA C   1 ? 
ATOM   227  O  O   . CYS   A 1 30  ? -11.826 -31.134 -4.081  1.000 23.674 0 42  CYS   AAA O   1 ? 
ATOM   228  C  CB  . CYS   A 1 30  ? -13.001 -29.514 -1.489  1.000 20.431 0 42  CYS   AAA CB  1 ? 
ATOM   229  S  SG  . CYS   A 1 30  ? -14.197 -29.082 -0.198  1.000 25.071 0 42  CYS   AAA SG  1 ? 
ATOM   230  N  N   . GLY   A 1 31  ? -12.797 -29.099 -4.400  1.000 21.700 0 43  GLY   AAA N   1 ? 
ATOM   231  C  CA  . GLY   A 1 31  ? -11.865 -28.738 -5.471  1.000 23.832 0 43  GLY   AAA CA  1 ? 
ATOM   232  C  C   . GLY   A 1 31  ? -10.864 -27.724 -4.949  1.000 23.913 0 43  GLY   AAA C   1 ? 
ATOM   233  O  O   . GLY   A 1 31  ? -10.980 -27.327 -3.780  1.000 22.068 0 43  GLY   AAA O   1 ? 
ATOM   234  N  N   . GLY   A 1 32  ? -9.916  -27.327 -5.782  1.000 23.324 0 44  GLY   AAA N   1 ? 
ATOM   235  C  CA  . GLY   A 1 32  ? -8.911  -26.337 -5.459  1.000 21.839 0 44  GLY   AAA CA  1 ? 
ATOM   236  C  C   . GLY   A 1 32  ? -8.046  -26.125 -6.695  1.000 22.476 0 44  GLY   AAA C   1 ? 
ATOM   237  O  O   . GLY   A 1 32  ? -8.313  -26.717 -7.752  1.000 20.929 0 44  GLY   AAA O   1 ? 
ATOM   238  N  N   . PHE   A 1 33  ? -7.040  -25.279 -6.583  1.000 21.632 0 45  PHE   AAA N   1 ? 
ATOM   239  C  CA  . PHE   A 1 33  ? -6.224  -25.008 -7.746  1.000 22.424 0 45  PHE   AAA CA  1 ? 
ATOM   240  C  C   . PHE   A 1 33  ? -4.804  -24.678 -7.326  1.000 23.753 0 45  PHE   AAA C   1 ? 
ATOM   241  O  O   . PHE   A 1 33  ? -4.562  -24.018 -6.319  1.000 23.511 0 45  PHE   AAA O   1 ? 
ATOM   242  C  CB  . PHE   A 1 33  ? -6.852  -23.969 -8.683  1.000 24.042 0 45  PHE   AAA CB  1 ? 
ATOM   243  C  CG  . PHE   A 1 33  ? -7.291  -22.670 -8.037  1.000 26.895 0 45  PHE   AAA CG  1 ? 
ATOM   244  C  CD1 . PHE   A 1 33  ? -8.420  -22.629 -7.215  1.000 34.301 0 45  PHE   AAA CD1 1 ? 
ATOM   245  C  CD2 . PHE   A 1 33  ? -6.642  -21.488 -8.310  1.000 31.267 0 45  PHE   AAA CD2 1 ? 
ATOM   246  C  CE1 . PHE   A 1 33  ? -8.857  -21.441 -6.644  1.000 36.902 0 45  PHE   AAA CE1 1 ? 
ATOM   247  C  CE2 . PHE   A 1 33  ? -7.075  -20.291 -7.740  1.000 29.543 0 45  PHE   AAA CE2 1 ? 
ATOM   248  C  CZ  . PHE   A 1 33  ? -8.175  -20.269 -6.918  1.000 32.817 0 45  PHE   AAA CZ  1 ? 
ATOM   249  N  N   . LEU   A 1 34  ? -3.872  -25.131 -8.165  1.000 22.805 0 46  LEU   AAA N   1 ? 
ATOM   250  C  CA  . LEU   A 1 34  ? -2.444  -24.973 -7.886  1.000 22.782 0 46  LEU   AAA CA  1 ? 
ATOM   251  C  C   . LEU   A 1 34  ? -1.990  -23.567 -8.287  1.000 24.427 0 46  LEU   AAA C   1 ? 
ATOM   252  O  O   . LEU   A 1 34  ? -2.015  -23.231 -9.467  1.000 24.919 0 46  LEU   AAA O   1 ? 
ATOM   253  C  CB  . LEU   A 1 34  ? -1.703  -26.021 -8.714  1.000 23.569 0 46  LEU   AAA CB  1 ? 
ATOM   254  C  CG  . LEU   A 1 34  ? -0.225  -26.222 -8.358  1.000 23.574 0 46  LEU   AAA CG  1 ? 
ATOM   255  C  CD1 . LEU   A 1 34  ? -0.139  -26.890 -6.993  1.000 23.771 0 46  LEU   AAA CD1 1 ? 
ATOM   256  C  CD2 . LEU   A 1 34  ? 0.457   -27.071 -9.423  1.000 25.174 0 46  LEU   AAA CD2 1 ? 
ATOM   257  N  N   . ILE   A 1 35  ? -1.578  -22.751 -7.307  1.000 24.816 0 47  ILE   AAA N   1 ? 
ATOM   258  C  CA  . ILE   A 1 35  ? -1.142  -21.394 -7.594  1.000 25.235 0 47  ILE   AAA CA  1 ? 
ATOM   259  C  C   . ILE   A 1 35  ? 0.378   -21.267 -7.543  1.000 25.843 0 47  ILE   AAA C   1 ? 
ATOM   260  O  O   . ILE   A 1 35  ? 0.908   -20.295 -8.073  1.000 25.011 0 47  ILE   AAA O   1 ? 
ATOM   261  C  CB  . ILE   A 1 35  ? -1.835  -20.351 -6.685  1.000 26.256 0 47  ILE   AAA CB  1 ? 
ATOM   262  C  CG1 . ILE   A 1 35  ? -1.532  -20.586 -5.201  1.000 27.016 0 47  ILE   AAA CG1 1 ? 
ATOM   263  C  CG2 . ILE   A 1 35  ? -3.317  -20.310 -7.011  1.000 30.022 0 47  ILE   AAA CG2 1 ? 
ATOM   264  C  CD1 . ILE   A 1 35  ? -1.763  -19.369 -4.343  1.000 29.293 0 47  ILE   AAA CD1 1 ? 
ATOM   265  N  N   . ARG   A 1 36  ? 1.066   -22.156 -6.822  1.000 25.016 0 48  ARG   AAA N   1 ? 
ATOM   266  C  CA  . ARG   A 1 36  ? 2.515   -22.308 -6.852  1.000 26.464 0 48  ARG   AAA CA  1 ? 
ATOM   267  C  C   . ARG   A 1 36  ? 2.809   -23.799 -6.825  1.000 25.750 0 48  ARG   AAA C   1 ? 
ATOM   268  O  O   . ARG   A 1 36  ? 1.932   -24.579 -6.494  1.000 23.958 0 48  ARG   AAA O   1 ? 
ATOM   269  C  CB  . ARG   A 1 36  ? 3.223   -21.750 -5.608  1.000 27.361 0 48  ARG   AAA CB  1 ? 
ATOM   270  C  CG  . ARG   A 1 36  ? 3.051   -20.256 -5.392  1.000 30.843 0 48  ARG   AAA CG  1 ? 
ATOM   271  C  CD  . ARG   A 1 36  ? 3.812   -19.449 -6.416  1.000 34.038 0 48  ARG   AAA CD  1 ? 
ATOM   272  N  NE  . ARG   A 1 36  ? 3.771   -18.001 -6.198  1.000 35.202 0 48  ARG   AAA NE  1 ? 
ATOM   273  C  CZ  . ARG   A 1 36  ? 2.806   -17.193 -6.607  1.000 44.066 0 48  ARG   AAA CZ  1 ? 
ATOM   274  N  NH1 . ARG   A 1 36  ? 1.796   -17.652 -7.330  1.000 41.102 0 48  ARG   AAA NH1 1 ? 
ATOM   275  N  NH2 . ARG   A 1 36  ? 2.855   -15.911 -6.275  1.000 49.819 0 48  ARG   AAA NH2 1 ? 
ATOM   276  N  N   . ARG   A 1 37  ? 4.036   -24.227 -7.129  1.000 23.066 0 49  ARG   AAA N   1 ? 
ATOM   277  C  CA  . ARG   A 1 37  ? 4.211   -25.675 -7.256  1.000 23.590 0 49  ARG   AAA CA  1 ? 
ATOM   278  C  C   . ARG   A 1 37  ? 3.975   -26.382 -5.919  1.000 24.000 0 49  ARG   AAA C   1 ? 
ATOM   279  O  O   . ARG   A 1 37  ? 3.687   -27.569 -5.924  1.000 22.732 0 49  ARG   AAA O   1 ? 
ATOM   280  C  CB  . ARG   A 1 37  ? 5.587   -26.030 -7.828  1.000 22.455 0 49  ARG   AAA CB  1 ? 
ATOM   281  C  CG  . ARG   A 1 37  ? 5.743   -25.609 -9.276  1.000 23.716 0 49  ARG   AAA CG  1 ? 
ATOM   282  C  CD  . ARG   A 1 37  ? 7.141   -25.808 -9.855  1.000 25.722 0 49  ARG   AAA CD  1 ? 
ATOM   283  N  NE  . ARG   A 1 37  ? 7.601   -27.186 -9.824  1.000 26.182 0 49  ARG   AAA NE  1 ? 
ATOM   284  C  CZ  . ARG   A 1 37  ? 8.772   -27.614 -10.290 1.000 25.003 0 49  ARG   AAA CZ  1 ? 
ATOM   285  N  NH1 . ARG   A 1 37  ? 9.703   -26.758 -10.706 1.000 25.966 0 49  ARG   AAA NH1 1 ? 
ATOM   286  N  NH2 . ARG   A 1 37  ? 9.031   -28.901 -10.292 1.000 25.758 0 49  ARG   AAA NH2 1 ? 
ATOM   287  N  N   . ASN   A 1 38  ? 4.056   -25.664 -4.793  1.000 23.484 0 50  ASN   AAA N   1 ? 
ATOM   288  C  CA  . ASN   A 1 38  ? 3.785   -26.286 -3.498  1.000 24.611 0 50  ASN   AAA CA  1 ? 
ATOM   289  C  C   . ASN   A 1 38  ? 2.634   -25.615 -2.737  1.000 22.468 0 50  ASN   AAA C   1 ? 
ATOM   290  O  O   . ASN   A 1 38  ? 2.535   -25.782 -1.520  1.000 25.371 0 50  ASN   AAA O   1 ? 
ATOM   291  C  CB  . ASN   A 1 38  ? 5.022   -26.311 -2.601  1.000 24.621 0 50  ASN   AAA CB  1 ? 
ATOM   292  C  CG  . ASN   A 1 38  ? 5.564   -24.934 -2.312  1.000 26.172 0 50  ASN   AAA CG  1 ? 
ATOM   293  O  OD1 . ASN   A 1 38  ? 5.206   -23.950 -2.956  1.000 27.680 0 50  ASN   AAA OD1 1 ? 
ATOM   294  N  ND2 . ASN   A 1 38  ? 6.497   -24.858 -1.382  1.000 29.114 0 50  ASN   AAA ND2 1 ? 
ATOM   295  N  N   . PHE   A 1 39  ? 1.733   -24.915 -3.438  1.000 23.521 0 51  PHE   AAA N   1 ? 
ATOM   296  C  CA  . PHE   A 1 39  ? 0.558   -24.316 -2.820  1.000 22.361 0 51  PHE   AAA CA  1 ? 
ATOM   297  C  C   . PHE   A 1 39  ? -0.702  -24.458 -3.664  1.000 23.340 0 51  PHE   AAA C   1 ? 
ATOM   298  O  O   . PHE   A 1 39  ? -0.721  -24.099 -4.839  1.000 24.327 0 51  PHE   AAA O   1 ? 
ATOM   299  C  CB  . PHE   A 1 39  ? 0.720   -22.829 -2.525  1.000 23.042 0 51  PHE   AAA CB  1 ? 
ATOM   300  C  CG  . PHE   A 1 39  ? 1.452   -22.540 -1.245  1.000 26.522 0 51  PHE   AAA CG  1 ? 
ATOM   301  C  CD1 . PHE   A 1 39  ? 0.757   -22.506 -0.048  1.000 31.935 0 51  PHE   AAA CD1 1 ? 
ATOM   302  C  CD2 . PHE   A 1 39  ? 2.813   -22.285 -1.248  1.000 32.059 0 51  PHE   AAA CD2 1 ? 
ATOM   303  C  CE1 . PHE   A 1 39  ? 1.432   -22.255 1.137   1.000 31.504 0 51  PHE   AAA CE1 1 ? 
ATOM   304  C  CE2 . PHE   A 1 39  ? 3.479   -22.032 -0.055  1.000 35.228 0 51  PHE   AAA CE2 1 ? 
ATOM   305  C  CZ  . PHE   A 1 39  ? 2.780   -22.003 1.114   1.000 29.998 0 51  PHE   AAA CZ  1 ? 
ATOM   306  N  N   . VAL   A 1 40  ? -1.769  -24.902 -2.981  1.000 21.768 0 52  VAL   AAA N   1 ? 
ATOM   307  C  CA  . VAL   A 1 40  ? -3.117  -25.002 -3.524  1.000 21.671 0 52  VAL   AAA CA  1 ? 
ATOM   308  C  C   . VAL   A 1 40  ? -4.060  -24.041 -2.804  1.000 22.561 0 52  VAL   AAA C   1 ? 
ATOM   309  O  O   . VAL   A 1 40  ? -4.048  -23.959 -1.572  1.000 23.045 0 52  VAL   AAA O   1 ? 
ATOM   310  C  CB  . VAL   A 1 40  ? -3.601  -26.449 -3.392  1.000 20.679 0 52  VAL   AAA CB  1 ? 
ATOM   311  C  CG1 . VAL   A 1 40  ? -5.100  -26.612 -3.567  1.000 23.300 0 52  VAL   AAA CG1 1 ? 
ATOM   312  C  CG2 . VAL   A 1 40  ? -2.822  -27.344 -4.364  1.000 22.292 0 52  VAL   AAA CG2 1 ? 
ATOM   313  N  N   . LEU   A 1 41  ? -4.850  -23.295 -3.597  1.000 21.574 0 53  LEU   AAA N   1 ? 
ATOM   314  C  CA  . LEU   A 1 41  ? -5.842  -22.394 -3.049  1.000 22.032 0 53  LEU   AAA CA  1 ? 
ATOM   315  C  C   . LEU   A 1 41  ? -7.189  -23.107 -3.089  1.000 23.016 0 53  LEU   AAA C   1 ? 
ATOM   316  O  O   . LEU   A 1 41  ? -7.515  -23.779 -4.083  1.000 23.542 0 53  LEU   AAA O   1 ? 
ATOM   317  C  CB  . LEU   A 1 41  ? -5.814  -21.126 -3.894  1.000 23.290 0 53  LEU   AAA CB  1 ? 
ATOM   318  C  CG  . LEU   A 1 41  ? -6.623  -19.937 -3.403  1.000 24.087 0 53  LEU   AAA CG  1 ? 
ATOM   319  C  CD1 . LEU   A 1 41  ? -6.264  -19.550 -2.003  1.000 24.716 0 53  LEU   AAA CD1 1 ? 
ATOM   320  C  CD2 . LEU   A 1 41  ? -6.397  -18.737 -4.322  1.000 25.903 0 53  LEU   AAA CD2 1 ? 
ATOM   321  N  N   . THR   A 1 42  ? -7.962  -22.977 -2.010  1.000 22.197 0 54  THR   AAA N   1 ? 
ATOM   322  C  CA  . THR   A 1 42  ? -9.274  -23.608 -1.925  1.000 21.484 0 54  THR   AAA CA  1 ? 
ATOM   323  C  C   . THR   A 1 42  ? -10.133 -22.798 -0.945  1.000 21.329 0 54  THR   AAA C   1 ? 
ATOM   324  O  O   . THR   A 1 42  ? -9.737  -21.694 -0.545  1.000 24.053 0 54  THR   AAA O   1 ? 
ATOM   325  C  CB  . THR   A 1 42  ? -9.104  -25.092 -1.540  1.000 21.582 0 54  THR   AAA CB  1 ? 
ATOM   326  O  OG1 . THR   A 1 42  ? -10.348 -25.756 -1.643  1.000 21.587 0 54  THR   AAA OG1 1 ? 
ATOM   327  C  CG2 . THR   A 1 42  ? -8.523  -25.318 -0.147  1.000 23.205 0 54  THR   AAA CG2 1 ? 
ATOM   328  N  N   . ALA   A 1 43  ? -11.279 -23.373 -0.585  1.000 22.787 0 55  ALA   AAA N   1 ? 
ATOM   329  C  CA  . ALA   A 1 43  ? -12.216 -22.790 0.390   1.000 21.063 0 55  ALA   AAA CA  1 ? 
ATOM   330  C  C   . ALA   A 1 43  ? -11.820 -23.221 1.804   1.000 21.503 0 55  ALA   AAA C   1 ? 
ATOM   331  O  O   . ALA   A 1 43  ? -11.457 -24.399 2.028   1.000 22.255 0 55  ALA   AAA O   1 ? 
ATOM   332  C  CB  . ALA   A 1 43  ? -13.640 -23.210 0.058   1.000 20.413 0 55  ALA   AAA CB  1 ? 
ATOM   333  N  N   . ALA   A 1 44  ? -11.926 -22.285 2.770   1.000 21.321 0 56  ALA   AAA N   1 ? 
ATOM   334  C  CA  . ALA   A 1 44  ? -11.725 -22.610 4.178   1.000 24.040 0 56  ALA   AAA CA  1 ? 
ATOM   335  C  C   . ALA   A 1 44  ? -12.679 -23.698 4.705   1.000 23.621 0 56  ALA   AAA C   1 ? 
ATOM   336  O  O   . ALA   A 1 44  ? -12.307 -24.449 5.607   1.000 24.677 0 56  ALA   AAA O   1 ? 
ATOM   337  C  CB  . ALA   A 1 44  ? -11.819 -21.345 5.031   1.000 25.364 0 56  ALA   AAA CB  1 ? 
ATOM   338  N  N   . HIS   A 1 45  ? -13.888 -23.783 4.149   1.000 22.155 0 57  HIS   AAA N   1 ? 
ATOM   339  C  CA  . HIS   A 1 45  ? -14.853 -24.789 4.673   1.000 25.458 0 57  HIS   AAA CA  1 ? 
ATOM   340  C  C   . HIS   A 1 45  ? -14.396 -26.195 4.260   1.000 23.937 0 57  HIS   AAA C   1 ? 
ATOM   341  O  O   . HIS   A 1 45  ? -15.013 -27.183 4.698   1.000 23.498 0 57  HIS   AAA O   1 ? 
ATOM   342  C  CB  . HIS   A 1 45  ? -16.293 -24.484 4.249   1.000 25.450 0 57  HIS   AAA CB  1 ? 
ATOM   343  C  CG  . HIS   A 1 45  ? -16.613 -24.753 2.821   1.000 25.327 0 57  HIS   AAA CG  1 ? 
ATOM   344  N  ND1 . HIS   A 1 45  ? -16.630 -23.762 1.865   1.000 25.593 0 57  HIS   AAA ND1 1 ? 
ATOM   345  C  CD2 . HIS   A 1 45  ? -16.959 -25.880 2.193   1.000 29.680 0 57  HIS   AAA CD2 1 ? 
ATOM   346  C  CE1 . HIS   A 1 45  ? -16.961 -24.289 0.698   1.000 29.027 0 57  HIS   AAA CE1 1 ? 
ATOM   347  N  NE2 . HIS   A 1 45  ? -17.168 -25.573 0.877   1.000 27.206 0 57  HIS   AAA NE2 1 ? 
ATOM   348  N  N   . CYS   A 1 46  ? -13.348 -26.278 3.436   1.000 23.163 0 58  CYS   AAA N   1 ? 
ATOM   349  C  CA  . CYS   A 1 46  ? -12.801 -27.599 3.021   1.000 22.797 0 58  CYS   AAA CA  1 ? 
ATOM   350  C  C   . CYS   A 1 46  ? -11.691 -28.056 3.984   1.000 23.524 0 58  CYS   AAA C   1 ? 
ATOM   351  O  O   . CYS   A 1 46  ? -11.072 -29.090 3.702   1.000 26.164 0 58  CYS   AAA O   1 ? 
ATOM   352  C  CB  . CYS   A 1 46  ? -12.284 -27.533 1.588   1.000 23.311 0 58  CYS   AAA CB  1 ? 
ATOM   353  S  SG  . CYS   A 1 46  ? -13.601 -27.222 0.382   1.000 24.979 0 58  CYS   AAA SG  1 ? 
ATOM   354  N  N   . ALA   A 1 47  ? -11.461 -27.319 5.076   1.000 23.290 0 59  ALA   AAA N   1 ? 
ATOM   355  C  CA  . ALA   A 1 47  ? -10.469 -27.723 6.061   1.000 23.437 0 59  ALA   AAA CA  1 ? 
ATOM   356  C  C   . ALA   A 1 47  ? -10.888 -29.034 6.708   1.000 25.237 0 59  ALA   AAA C   1 ? 
ATOM   357  O  O   . ALA   A 1 47  ? -12.087 -29.339 6.842   1.000 26.235 0 59  ALA   AAA O   1 ? 
ATOM   358  C  CB  . ALA   A 1 47  ? -10.230 -26.640 7.106   1.000 23.824 0 59  ALA   AAA CB  1 ? 
ATOM   359  N  N   . GLY   A 1 48  ? -9.880  -29.754 7.207   1.000 24.835 0 60  GLY   AAA N   1 ? 
ATOM   360  C  CA  . GLY   A 1 48  ? -10.132 -31.007 7.939   1.000 25.182 0 60  GLY   AAA CA  1 ? 
ATOM   361  C  C   . GLY   A 1 48  ? -8.935  -31.354 8.813   1.000 25.045 0 60  GLY   AAA C   1 ? 
ATOM   362  O  O   . GLY   A 1 48  ? -8.022  -30.519 8.927   1.000 24.840 0 60  GLY   AAA O   1 ? 
ATOM   363  N  N   . ARG   A 1 49  ? -8.936  -32.545 9.403   1.000 24.885 0 61  ARG   AAA N   1 ? 
ATOM   364  C  CA  . ARG   A 1 49  ? -7.782  -32.990 10.225  1.000 24.308 0 61  ARG   AAA CA  1 ? 
ATOM   365  C  C   . ARG   A 1 49  ? -6.567  -33.158 9.306   1.000 24.500 0 61  ARG   AAA C   1 ? 
ATOM   366  O  O   . ARG   A 1 49  ? -5.450  -32.843 9.741   1.000 25.735 0 61  ARG   AAA O   1 ? 
ATOM   367  C  CB  . ARG   A 1 49  ? -8.134  -34.294 10.947  1.000 27.193 0 61  ARG   AAA CB  1 ? 
ATOM   368  C  CG  . ARG   A 1 49  ? -7.037  -34.818 11.859  1.000 26.529 0 61  ARG   AAA CG  1 ? 
ATOM   369  C  CD  . ARG   A 1 49  ? -6.633  -33.786 12.892  1.000 30.027 0 61  ARG   AAA CD  1 ? 
ATOM   370  N  NE  . ARG   A 1 49  ? -5.539  -34.262 13.723  1.000 28.948 0 61  ARG   AAA NE  1 ? 
ATOM   371  C  CZ  . ARG   A 1 49  ? -4.301  -34.467 13.289  1.000 35.141 0 61  ARG   AAA CZ  1 ? 
ATOM   372  N  NH1 . ARG   A 1 49  ? -3.934  -34.024 12.100  1.000 32.704 0 61  ARG   AAA NH1 1 ? 
ATOM   373  N  NH2 . ARG   A 1 49  ? -3.433  -35.111 14.050  1.000 34.367 0 61  ARG   AAA NH2 1 ? 
ATOM   374  N  N   . SER   A 1 50  ? -6.801  -33.635 8.080   1.000 24.195 0 63  SER   AAA N   1 ? 
ATOM   375  C  CA  . SER   A 1 50  ? -5.701  -33.845 7.106   1.000 24.245 0 63  SER   AAA CA  1 ? 
ATOM   376  C  C   . SER   A 1 50  ? -6.269  -33.813 5.684   1.000 25.985 0 63  SER   AAA C   1 ? 
ATOM   377  O  O   . SER   A 1 50  ? -7.456  -34.131 5.516   1.000 26.372 0 63  SER   AAA O   1 ? 
ATOM   378  C  CB  . SER   A 1 50  ? -4.967  -35.134 7.375   1.000 30.067 0 63  SER   AAA CB  1 ? 
ATOM   379  O  OG  . SER   A 1 50  ? -5.820  -36.250 7.179   1.000 31.393 0 63  SER   AAA OG  1 ? 
ATOM   380  N  N   . ILE   A 1 51  ? -5.438  -33.452 4.707   1.000 24.137 0 64  ILE   AAA N   1 ? 
ATOM   381  C  CA  . ILE   A 1 51  ? -5.885  -33.347 3.329   1.000 23.877 0 64  ILE   AAA CA  1 ? 
ATOM   382  C  C   . ILE   A 1 51  ? -4.832  -33.956 2.409   1.000 24.095 0 64  ILE   AAA C   1 ? 
ATOM   383  O  O   . ILE   A 1 51  ? -3.632  -33.828 2.642   1.000 24.761 0 64  ILE   AAA O   1 ? 
ATOM   384  C  CB  . ILE   A 1 51  ? -6.197  -31.884 2.964   1.000 24.921 0 64  ILE   AAA CB  1 ? 
ATOM   385  C  CG1 . ILE   A 1 51  ? -7.253  -31.269 3.889   1.000 24.890 0 64  ILE   AAA CG1 1 ? 
ATOM   386  C  CG2 . ILE   A 1 51  ? -6.572  -31.760 1.490   1.000 24.469 0 64  ILE   AAA CG2 1 ? 
ATOM   387  C  CD1 . ILE   A 1 51  ? -7.514  -29.774 3.597   1.000 24.732 0 64  ILE   AAA CD1 1 ? 
ATOM   388  N  N   . THR   A 1 52  ? -5.312  -34.685 1.394   1.000 23.500 0 65  THR   AAA N   1 ? 
ATOM   389  C  CA  . THR   A 1 52  ? -4.497  -35.132 0.289   1.000 23.200 0 65  THR   AAA CA  1 ? 
ATOM   390  C  C   . THR   A 1 52  ? -4.955  -34.432 -0.978  1.000 24.058 0 65  THR   AAA C   1 ? 
ATOM   391  O  O   . THR   A 1 52  ? -6.163  -34.323 -1.223  1.000 23.724 0 65  THR   AAA O   1 ? 
ATOM   392  C  CB  . THR   A 1 52  ? -4.572  -36.654 0.098   1.000 28.540 0 65  THR   AAA CB  1 ? 
ATOM   393  O  OG1 . THR   A 1 52  ? -4.336  -37.302 1.346   1.000 30.567 0 65  THR   AAA OG1 1 ? 
ATOM   394  C  CG2 . THR   A 1 52  ? -3.540  -37.136 -0.909  1.000 32.104 0 65  THR   AAA CG2 1 ? 
ATOM   395  N  N   . VAL   A 1 53  ? -3.979  -34.009 -1.797  1.000 22.855 0 66  VAL   AAA N   1 ? 
ATOM   396  C  CA  . VAL   A 1 53  ? -4.299  -33.404 -3.072  1.000 24.092 0 66  VAL   AAA CA  1 ? 
ATOM   397  C  C   . VAL   A 1 53  ? -3.925  -34.362 -4.196  1.000 24.819 0 66  VAL   AAA C   1 ? 
ATOM   398  O  O   . VAL   A 1 53  ? -2.843  -34.947 -4.158  1.000 24.400 0 66  VAL   AAA O   1 ? 
ATOM   399  C  CB  . VAL   A 1 53  ? -3.579  -32.054 -3.155  1.000 27.872 0 66  VAL   AAA CB  1 ? 
ATOM   400  C  CG1 . VAL   A 1 53  ? -3.514  -31.512 -4.561  1.000 29.827 0 66  VAL   AAA CG1 1 ? 
ATOM   401  C  CG2 . VAL   A 1 53  ? -4.266  -31.070 -2.222  1.000 26.158 0 66  VAL   AAA CG2 1 ? 
ATOM   402  N  N   . THR   A 1 54  ? -4.806  -34.454 -5.205  1.000 23.824 0 67  THR   AAA N   1 ? 
ATOM   403  C  CA  . THR   A 1 54  ? -4.488  -35.167 -6.433  1.000 24.877 0 67  THR   AAA CA  1 ? 
ATOM   404  C  C   . THR   A 1 54  ? -4.467  -34.157 -7.582  1.000 22.776 0 67  THR   AAA C   1 ? 
ATOM   405  O  O   . THR   A 1 54  ? -5.482  -33.558 -7.878  1.000 24.079 0 67  THR   AAA O   1 ? 
ATOM   406  C  CB  . THR   A 1 54  ? -5.462  -36.317 -6.717  1.000 25.006 0 67  THR   AAA CB  1 ? 
ATOM   407  O  OG1 . THR   A 1 54  ? -5.478  -37.257 -5.639  1.000 22.758 0 67  THR   AAA OG1 1 ? 
ATOM   408  C  CG2 . THR   A 1 54  ? -5.047  -37.077 -7.961  1.000 27.361 0 67  THR   AAA CG2 1 ? 
ATOM   409  N  N   . LEU   A 1 55  ? -3.288  -33.964 -8.163  1.000 23.742 0 68  LEU   AAA N   1 ? 
ATOM   410  C  CA  . LEU   A 1 55  ? -3.113  -33.169 -9.376  1.000 23.734 0 68  LEU   AAA CA  1 ? 
ATOM   411  C  C   . LEU   A 1 55  ? -3.071  -34.121 -10.574 1.000 23.355 0 68  LEU   AAA C   1 ? 
ATOM   412  O  O   . LEU   A 1 55  ? -2.774  -35.312 -10.431 1.000 22.053 0 68  LEU   AAA O   1 ? 
ATOM   413  C  CB  . LEU   A 1 55  ? -1.807  -32.380 -9.266  1.000 26.079 0 68  LEU   AAA CB  1 ? 
ATOM   414  C  CG  . LEU   A 1 55  ? -1.655  -31.528 -8.006  1.000 26.185 0 68  LEU   AAA CG  1 ? 
ATOM   415  C  CD1 . LEU   A 1 55  ? -0.265  -30.904 -7.962  1.000 26.587 0 68  LEU   AAA CD1 1 ? 
ATOM   416  C  CD2 . LEU   A 1 55  ? -2.731  -30.459 -7.950  1.000 27.187 0 68  LEU   AAA CD2 1 ? 
ATOM   417  N  N   . GLY   A 1 56  ? -3.380  -33.581 -11.747 1.000 23.755 0 69  GLY   AAA N   1 ? 
ATOM   418  C  CA  . GLY   A 1 56  ? -3.264  -34.314 -13.004 1.000 22.234 0 69  GLY   AAA CA  1 ? 
ATOM   419  C  C   . GLY   A 1 56  ? -4.463  -35.208 -13.331 1.000 23.100 0 69  GLY   AAA C   1 ? 
ATOM   420  O  O   . GLY   A 1 56  ? -4.417  -35.990 -14.263 1.000 25.703 0 69  GLY   AAA O   1 ? 
ATOM   421  N  N   . ALA   A 1 57  ? -5.565  -35.065 -12.582 1.000 27.235 0 70  ALA   AAA N   1 ? 
ATOM   422  C  CA  . ALA   A 1 57  ? -6.676  -35.983 -12.709 1.000 25.177 0 70  ALA   AAA CA  1 ? 
ATOM   423  C  C   . ALA   A 1 57  ? -7.678  -35.497 -13.752 1.000 25.679 0 70  ALA   AAA C   1 ? 
ATOM   424  O  O   . ALA   A 1 57  ? -7.826  -34.303 -14.009 1.000 25.150 0 70  ALA   AAA O   1 ? 
ATOM   425  C  CB  . ALA   A 1 57  ? -7.326  -36.190 -11.382 1.000 24.495 0 70  ALA   AAA CB  1 ? 
ATOM   426  N  N   . HIS   A 1 58  ? -8.290  -36.479 -14.416 1.000 26.035 0 71  HIS   AAA N   1 ? 
ATOM   427  C  CA  . HIS   A 1 58  ? -9.512  -36.267 -15.169 1.000 26.432 0 71  HIS   AAA CA  1 ? 
ATOM   428  C  C   . HIS   A 1 58  ? -10.617 -37.156 -14.593 1.000 27.556 0 71  HIS   AAA C   1 ? 
ATOM   429  O  O   . HIS   A 1 58  ? -11.488 -36.656 -13.901 1.000 26.645 0 71  HIS   AAA O   1 ? 
ATOM   430  C  CB  . HIS   A 1 58  ? -9.270  -36.483 -16.663 1.000 28.359 0 71  HIS   AAA CB  1 ? 
ATOM   431  C  CG  . HIS   A 1 58  ? -10.550 -36.228 -17.377 1.000 27.832 0 71  HIS   AAA CG  1 ? 
ATOM   432  N  ND1 . HIS   A 1 58  ? -11.108 -34.965 -17.340 1.000 28.103 0 71  HIS   AAA ND1 1 ? 
ATOM   433  C  CD2 . HIS   A 1 58  ? -11.421 -37.031 -18.035 1.000 30.493 0 71  HIS   AAA CD2 1 ? 
ATOM   434  C  CE1 . HIS   A 1 58  ? -12.271 -34.992 -18.005 1.000 30.777 0 71  HIS   AAA CE1 1 ? 
ATOM   435  N  NE2 . HIS   A 1 58  ? -12.475 -36.236 -18.445 1.000 31.738 0 71  HIS   AAA NE2 1 ? 
ATOM   436  N  N   . ASN   A 1 59  ? -10.567 -38.465 -14.907 1.000 25.408 0 72  ASN   AAA N   1 ? 
ATOM   437  C  CA  . ASN   A 1 59  ? -11.403 -39.463 -14.276 1.000 28.488 0 72  ASN   AAA CA  1 ? 
ATOM   438  C  C   . ASN   A 1 59  ? -10.768 -39.849 -12.949 1.000 26.248 0 72  ASN   AAA C   1 ? 
ATOM   439  O  O   . ASN   A 1 59  ? -9.726  -40.496 -12.900 1.000 25.843 0 72  ASN   AAA O   1 ? 
ATOM   440  C  CB  . ASN   A 1 59  ? -11.571 -40.701 -15.164 1.000 29.548 0 72  ASN   AAA CB  1 ? 
ATOM   441  C  CG  . ASN   A 1 59  ? -12.546 -41.707 -14.587 1.000 32.583 0 72  ASN   AAA CG  1 ? 
ATOM   442  O  OD1 . ASN   A 1 59  ? -12.783 -41.747 -13.376 1.000 28.190 0 72  ASN   AAA OD1 1 ? 
ATOM   443  N  ND2 . ASN   A 1 59  ? -13.092 -42.542 -15.460 1.000 36.802 0 72  ASN   AAA ND2 1 ? 
ATOM   444  N  N   . ILE   A 1 60  ? -11.363 -39.372 -11.860 1.000 29.514 0 73  ILE   AAA N   1 ? 
ATOM   445  C  CA  . ILE   A 1 60  ? -10.700 -39.458 -10.573 1.000 28.322 0 73  ILE   AAA CA  1 ? 
ATOM   446  C  C   . ILE   A 1 60  ? -10.744 -40.889 -10.042 1.000 29.867 0 73  ILE   AAA C   1 ? 
ATOM   447  O  O   . ILE   A 1 60  ? -10.130 -41.189 -9.008  1.000 29.198 0 73  ILE   AAA O   1 ? 
ATOM   448  C  CB  . ILE   A 1 60  ? -11.308 -38.407 -9.619  1.000 31.091 0 73  ILE   AAA CB  1 ? 
ATOM   449  C  CG1 . ILE   A 1 60  ? -10.444 -38.152 -8.385  1.000 33.741 0 73  ILE   AAA CG1 1 ? 
ATOM   450  C  CG2 . ILE   A 1 60  ? -12.725 -38.803 -9.233  1.000 29.764 0 73  ILE   AAA CG2 1 ? 
ATOM   451  C  CD1 . ILE   A 1 60  ? -9.024  -37.725 -8.664  1.000 35.217 0 73  ILE   AAA CD1 1 ? 
ATOM   452  N  N   . THR   A 1 61  ? -11.452 -41.793 -10.733 1.000 28.693 0 74  THR   AAA N   1 ? 
ATOM   453  C  CA  . THR   A 1 61  ? -11.533 -43.148 -10.220 1.000 31.038 0 74  THR   AAA CA  1 ? 
ATOM   454  C  C   . THR   A 1 61  ? -10.458 -44.030 -10.807 1.000 32.920 0 74  THR   AAA C   1 ? 
ATOM   455  O  O   . THR   A 1 61  ? -10.304 -45.159 -10.332 1.000 33.070 0 74  THR   AAA O   1 ? 
ATOM   456  C  CB  . THR   A 1 61  ? -12.925 -43.769 -10.397 1.000 34.262 0 74  THR   AAA CB  1 ? 
ATOM   457  O  OG1 . THR   A 1 61  ? -13.173 -44.079 -11.766 1.000 38.312 0 74  THR   AAA OG1 1 ? 
ATOM   458  C  CG2 . THR   A 1 61  ? -14.000 -42.852 -9.851  1.000 38.315 0 74  THR   AAA CG2 1 ? 
ATOM   459  N  N   . GLU   A 1 62  ? -9.701  -43.512 -11.789 1.000 34.046 0 75  GLU   AAA N   1 ? 
ATOM   460  C  CA  . GLU   A 1 62  ? -8.769  -44.360 -12.516 1.000 34.467 0 75  GLU   AAA CA  1 ? 
ATOM   461  C  C   . GLU   A 1 62  ? -7.381  -43.718 -12.533 1.000 30.643 0 75  GLU   AAA C   1 ? 
ATOM   462  O  O   . GLU   A 1 62  ? -7.165  -42.752 -13.275 1.000 31.298 0 75  GLU   AAA O   1 ? 
ATOM   463  C  CB  . GLU   A 1 62  ? -9.328  -44.620 -13.921 1.000 36.115 0 75  GLU   AAA CB  1 ? 
ATOM   464  C  CG  . GLU   A 1 62  ? -8.691  -45.813 -14.624 1.000 41.697 0 75  GLU   AAA CG  1 ? 
ATOM   465  C  CD  . GLU   A 1 62  ? -8.767  -47.184 -13.947 1.000 47.206 0 75  GLU   AAA CD  1 ? 
ATOM   466  O  OE1 . GLU   A 1 62  ? -7.748  -47.925 -13.958 1.000 47.964 0 75  GLU   AAA OE1 1 ? 
ATOM   467  O  OE2 . GLU   A 1 62  ? -9.854  -47.550 -13.478 1.000 50.324 0 75  GLU   AAA OE2 1 ? 
ATOM   468  N  N   . GLU   A 1 63  ? -6.469  -44.310 -11.740 1.000 30.846 0 77  GLU   AAA N   1 ? 
ATOM   469  C  CA  . GLU   A 1 63  ? -5.112  -43.826 -11.600 1.000 32.375 0 77  GLU   AAA CA  1 ? 
ATOM   470  C  C   . GLU   A 1 63  ? -4.409  -43.886 -12.956 1.000 31.604 0 77  GLU   AAA C   1 ? 
ATOM   471  O  O   . GLU   A 1 63  ? -4.560  -44.854 -13.706 1.000 26.685 0 77  GLU   AAA O   1 ? 
ATOM   472  C  CB  . GLU   A 1 63  ? -4.304  -44.658 -10.596 1.000 36.786 0 77  GLU   AAA CB  1 ? 
ATOM   473  C  CG  . GLU   A 1 63  ? -2.891  -44.095 -10.416 1.000 38.191 0 77  GLU   AAA CG  1 ? 
ATOM   474  C  CD  . GLU   A 1 63  ? -2.093  -44.622 -9.231  1.000 49.593 0 77  GLU   AAA CD  1 ? 
ATOM   475  O  OE1 . GLU   A 1 63  ? -2.399  -45.723 -8.767  1.000 53.778 0 77  GLU   AAA OE1 1 ? 
ATOM   476  O  OE2 . GLU   A 1 63  ? -1.179  -43.910 -8.768  1.000 50.861 0 77  GLU   AAA OE2 1 ? 
ATOM   477  N  N   . GLU   A 1 64  ? -3.683  -42.817 -13.275 1.000 27.114 0 78  GLU   AAA N   1 ? 
ATOM   478  C  CA  . GLU   A 1 64  ? -2.920  -42.745 -14.513 1.000 26.793 0 78  GLU   AAA CA  1 ? 
ATOM   479  C  C   . GLU   A 1 64  ? -1.617  -42.007 -14.267 1.000 26.122 0 78  GLU   AAA C   1 ? 
ATOM   480  O  O   . GLU   A 1 64  ? -1.418  -41.448 -13.201 1.000 24.056 0 78  GLU   AAA O   1 ? 
ATOM   481  C  CB  . GLU   A 1 64  ? -3.708  -42.049 -15.611 1.000 25.535 0 78  GLU   AAA CB  1 ? 
ATOM   482  C  CG  . GLU   A 1 64  ? -4.420  -40.796 -15.201 1.000 24.240 0 78  GLU   AAA CG  1 ? 
ATOM   483  C  CD  . GLU   A 1 64  ? -4.948  -39.998 -16.384 1.000 27.227 0 78  GLU   AAA CD  1 ? 
ATOM   484  O  OE1 . GLU   A 1 64  ? -5.943  -39.285 -16.207 1.000 26.874 0 78  GLU   AAA OE1 1 ? 
ATOM   485  O  OE2 . GLU   A 1 64  ? -4.319  -40.016 -17.466 1.000 25.585 0 78  GLU   AAA OE2 1 ? 
ATOM   486  N  N   . ASP   A 1 65  ? -0.702  -42.071 -15.242 1.000 23.969 0 79  ASP   AAA N   1 ? 
ATOM   487  C  CA  . ASP   A 1 65  ? 0.621   -41.504 -15.070 1.000 24.379 0 79  ASP   AAA CA  1 ? 
ATOM   488  C  C   . ASP   A 1 65  ? 0.593   -39.985 -14.845 1.000 25.211 0 79  ASP   AAA C   1 ? 
ATOM   489  O  O   . ASP   A 1 65  ? 1.500   -39.465 -14.198 1.000 24.529 0 79  ASP   AAA O   1 ? 
ATOM   490  C  CB  . ASP   A 1 65  ? 1.528   -41.822 -16.250 1.000 23.945 0 79  ASP   AAA CB  1 ? 
ATOM   491  C  CG  . ASP   A 1 65  ? 2.115   -43.211 -16.238 1.000 25.529 0 79  ASP   AAA CG  1 ? 
ATOM   492  O  OD1 . ASP   A 1 65  ? 1.811   -43.995 -15.271 1.000 26.222 0 79  ASP   AAA OD1 1 ? 
ATOM   493  O  OD2 . ASP   A 1 65  ? 2.797   -43.548 -17.229 1.000 25.235 0 79  ASP   AAA OD2 1 ? 
ATOM   494  N  N   . THR   A 1 66  A -0.452  -39.273 -15.288 1.000 23.945 0 79  THR   AAA N   1 ? 
ATOM   495  C  CA  . THR   A 1 66  A -0.539  -37.832 -15.015 1.000 24.069 0 79  THR   AAA CA  1 ? 
ATOM   496  C  C   . THR   A 1 66  A -0.741  -37.517 -13.525 1.000 25.069 0 79  THR   AAA C   1 ? 
ATOM   497  O  O   . THR   A 1 66  A -0.512  -36.389 -13.077 1.000 25.290 0 79  THR   AAA O   1 ? 
ATOM   498  C  CB  . THR   A 1 66  A -1.665  -37.173 -15.815 1.000 24.263 0 79  THR   AAA CB  1 ? 
ATOM   499  O  OG1 . THR   A 1 66  A -2.902  -37.793 -15.519 1.000 24.685 0 79  THR   AAA OG1 1 ? 
ATOM   500  C  CG2 . THR   A 1 66  A -1.438  -37.204 -17.299 1.000 23.661 0 79  THR   AAA CG2 1 ? 
ATOM   501  N  N   . TRP   A 1 67  ? -1.276  -38.468 -12.753 1.000 25.827 0 80  TRP   AAA N   1 ? 
ATOM   502  C  CA  . TRP   A 1 67  ? -1.550  -38.221 -11.341 1.000 24.321 0 80  TRP   AAA CA  1 ? 
ATOM   503  C  C   . TRP   A 1 67  ? -0.285  -37.902 -10.567 1.000 23.740 0 80  TRP   AAA C   1 ? 
ATOM   504  O  O   . TRP   A 1 67  ? 0.756   -38.533 -10.732 1.000 25.140 0 80  TRP   AAA O   1 ? 
ATOM   505  C  CB  . TRP   A 1 67  ? -2.222  -39.415 -10.698 1.000 25.087 0 80  TRP   AAA CB  1 ? 
ATOM   506  C  CG  . TRP   A 1 67  ? -3.663  -39.563 -11.005 1.000 24.334 0 80  TRP   AAA CG  1 ? 
ATOM   507  C  CD1 . TRP   A 1 67  ? -4.362  -39.115 -12.090 1.000 23.390 0 80  TRP   AAA CD1 1 ? 
ATOM   508  C  CD2 . TRP   A 1 67  ? -4.573  -40.349 -10.227 1.000 25.208 0 80  TRP   AAA CD2 1 ? 
ATOM   509  N  NE1 . TRP   A 1 67  ? -5.680  -39.470 -11.972 1.000 25.506 0 80  TRP   AAA NE1 1 ? 
ATOM   510  C  CE2 . TRP   A 1 67  ? -5.829  -40.247 -10.857 1.000 26.185 0 80  TRP   AAA CE2 1 ? 
ATOM   511  C  CE3 . TRP   A 1 67  ? -4.453  -41.046 -9.020  1.000 28.393 0 80  TRP   AAA CE3 1 ? 
ATOM   512  C  CZ2 . TRP   A 1 67  ? -6.942  -40.917 -10.361 1.000 29.498 0 80  TRP   AAA CZ2 1 ? 
ATOM   513  C  CZ3 . TRP   A 1 67  ? -5.551  -41.713 -8.533  1.000 30.985 0 80  TRP   AAA CZ3 1 ? 
ATOM   514  C  CH2 . TRP   A 1 67  ? -6.775  -41.626 -9.200  1.000 30.390 0 80  TRP   AAA CH2 1 ? 
ATOM   515  N  N   . GLN   A 1 68  ? -0.436  -36.913 -9.685  1.000 22.866 0 81  GLN   AAA N   1 ? 
ATOM   516  C  CA  . GLN   A 1 68  ? 0.527   -36.636 -8.647  1.000 22.166 0 81  GLN   AAA CA  1 ? 
ATOM   517  C  C   . GLN   A 1 68  ? -0.287  -36.490 -7.372  1.000 23.505 0 81  GLN   AAA C   1 ? 
ATOM   518  O  O   . GLN   A 1 68  ? -1.075  -35.540 -7.285  1.000 23.066 0 81  GLN   AAA O   1 ? 
ATOM   519  C  CB  . GLN   A 1 68  ? 1.239   -35.327 -8.952  1.000 23.761 0 81  GLN   AAA CB  1 ? 
ATOM   520  C  CG  . GLN   A 1 68  ? 2.155   -35.388 -10.160 1.000 23.205 0 81  GLN   AAA CG  1 ? 
ATOM   521  C  CD  . GLN   A 1 68  ? 2.891   -34.077 -10.314 1.000 24.245 0 81  GLN   AAA CD  1 ? 
ATOM   522  O  OE1 . GLN   A 1 68  ? 3.598   -33.638 -9.413  1.000 24.769 0 81  GLN   AAA OE1 1 ? 
ATOM   523  N  NE2 . GLN   A 1 68  ? 2.766   -33.478 -11.493 1.000 26.948 0 81  GLN   AAA NE2 1 ? 
ATOM   524  N  N   . LYS   A 1 69  ? -0.219  -37.504 -6.493  1.000 23.619 0 82  LYS   AAA N   1 ? 
ATOM   525  C  CA  . LYS   A 1 69  ? -0.877  -37.427 -5.203  1.000 26.885 0 82  LYS   AAA CA  1 ? 
ATOM   526  C  C   . LYS   A 1 69  ? 0.120   -36.855 -4.221  1.000 25.719 0 82  LYS   AAA C   1 ? 
ATOM   527  O  O   . LYS   A 1 69  ? 1.229   -37.371 -4.119  1.000 26.451 0 82  LYS   AAA O   1 ? 
ATOM   528  C  CB  . LYS   A 1 69  ? -1.339  -38.790 -4.702  1.000 31.098 0 82  LYS   AAA CB  1 ? 
ATOM   529  C  CG  . LYS   A 1 69  ? -2.307  -39.488 -5.640  1.000 39.607 0 82  LYS   AAA CG  1 ? 
ATOM   530  C  CD  . LYS   A 1 69  ? -2.882  -40.766 -5.049  1.000 46.619 0 82  LYS   AAA CD  1 ? 
ATOM   531  C  CE  . LYS   A 1 69  ? -3.894  -40.454 -3.967  1.000 62.505 0 82  LYS   AAA CE  1 ? 
ATOM   532  N  NZ  . LYS   A 1 69  ? -4.808  -41.593 -3.711  1.000 71.472 0 82  LYS   AAA NZ  1 ? 
ATOM   533  N  N   . LEU   A 1 70  ? -0.242  -35.751 -3.582  1.000 23.234 0 83  LEU   AAA N   1 ? 
ATOM   534  C  CA  . LEU   A 1 70  ? 0.685   -35.036 -2.740  1.000 25.327 0 83  LEU   AAA CA  1 ? 
ATOM   535  C  C   . LEU   A 1 70  ? 0.090   -34.788 -1.361  1.000 25.695 0 83  LEU   AAA C   1 ? 
ATOM   536  O  O   . LEU   A 1 70  ? -1.065  -34.412 -1.227  1.000 24.345 0 83  LEU   AAA O   1 ? 
ATOM   537  C  CB  . LEU   A 1 70  ? 1.037   -33.718 -3.426  1.000 25.295 0 83  LEU   AAA CB  1 ? 
ATOM   538  C  CG  . LEU   A 1 70  ? 1.982   -33.875 -4.623  1.000 30.243 0 83  LEU   AAA CG  1 ? 
ATOM   539  C  CD1 . LEU   A 1 70  ? 2.186   -32.534 -5.293  1.000 31.675 0 83  LEU   AAA CD1 1 ? 
ATOM   540  C  CD2 . LEU   A 1 70  ? 3.329   -34.425 -4.178  1.000 32.783 0 83  LEU   AAA CD2 1 ? 
ATOM   541  N  N   . GLU   A 1 71  ? 0.923   -35.013 -0.344  1.000 24.966 0 84  GLU   AAA N   1 ? 
ATOM   542  C  CA  . GLU   A 1 71  ? 0.589   -34.715 1.046   1.000 26.311 0 84  GLU   AAA CA  1 ? 
ATOM   543  C  C   . GLU   A 1 71  ? 0.538   -33.213 1.287   1.000 22.729 0 84  GLU   AAA C   1 ? 
ATOM   544  O  O   . GLU   A 1 71  ? 1.370   -32.483 0.757   1.000 24.058 0 84  GLU   AAA O   1 ? 
ATOM   545  C  CB  . GLU   A 1 71  ? 1.706   -35.305 1.916   1.000 25.245 0 84  GLU   AAA CB  1 ? 
ATOM   546  C  CG  . GLU   A 1 71  ? 1.610   -34.979 3.387   1.000 26.719 0 84  GLU   AAA CG  1 ? 
ATOM   547  C  CD  . GLU   A 1 71  ? 2.868   -35.440 4.115   1.000 30.746 0 84  GLU   AAA CD  1 ? 
ATOM   548  O  OE1 . GLU   A 1 71  ? 3.557   -36.335 3.583   1.000 35.181 0 84  GLU   AAA OE1 1 ? 
ATOM   549  O  OE2 . GLU   A 1 71  ? 3.224   -34.815 5.115   1.000 27.127 0 84  GLU   AAA OE2 1 ? 
ATOM   550  N  N   . VAL   A 1 72  ? -0.445  -32.754 2.055   1.000 23.224 0 85  VAL   AAA N   1 ? 
ATOM   551  C  CA  . VAL   A 1 72  ? -0.482  -31.399 2.564   1.000 24.956 0 85  VAL   AAA CA  1 ? 
ATOM   552  C  C   . VAL   A 1 72  ? 0.165   -31.386 3.943   1.000 26.214 0 85  VAL   AAA C   1 ? 
ATOM   553  O  O   . VAL   A 1 72  ? -0.269  -32.129 4.815   1.000 22.958 0 85  VAL   AAA O   1 ? 
ATOM   554  C  CB  . VAL   A 1 72  ? -1.937  -30.888 2.653   1.000 25.435 0 85  VAL   AAA CB  1 ? 
ATOM   555  C  CG1 . VAL   A 1 72  ? -2.045  -29.507 3.324   1.000 25.440 0 85  VAL   AAA CG1 1 ? 
ATOM   556  C  CG2 . VAL   A 1 72  ? -2.558  -30.868 1.276   1.000 25.319 0 85  VAL   AAA CG2 1 ? 
ATOM   557  N  N   . ILE   A 1 73  ? 1.170   -30.535 4.153   1.000 25.119 0 86  ILE   AAA N   1 ? 
ATOM   558  C  CA  . ILE   A 1 73  ? 1.814   -30.488 5.465   1.000 24.898 0 86  ILE   AAA CA  1 ? 
ATOM   559  C  C   . ILE   A 1 73  ? 1.117   -29.542 6.414   1.000 25.564 0 86  ILE   AAA C   1 ? 
ATOM   560  O  O   . ILE   A 1 73  ? 1.151   -29.776 7.621   1.000 26.922 0 86  ILE   AAA O   1 ? 
ATOM   561  C  CB  . ILE   A 1 73  ? 3.305   -30.163 5.369   1.000 25.829 0 86  ILE   AAA CB  1 ? 
ATOM   562  C  CG1 . ILE   A 1 73  ? 3.597   -28.811 4.728   1.000 28.374 0 86  ILE   AAA CG1 1 ? 
ATOM   563  C  CG2 . ILE   A 1 73  ? 4.016   -31.296 4.656   1.000 30.380 0 86  ILE   AAA CG2 1 ? 
ATOM   564  C  CD1 . ILE   A 1 73  ? 5.077   -28.438 4.839   1.000 30.893 0 86  ILE   AAA CD1 1 ? 
ATOM   565  N  N   . LYS   A 1 74  ? 0.511   -28.487 5.863   1.000 26.869 0 87  LYS   AAA N   1 ? 
ATOM   566  C  CA  . LYS   A 1 74  ? -0.098  -27.436 6.662   1.000 28.164 0 87  LYS   AAA CA  1 ? 
ATOM   567  C  C   . LYS   A 1 74  ? -1.264  -26.825 5.891   1.000 24.719 0 87  LYS   AAA C   1 ? 
ATOM   568  O  O   . LYS   A 1 74  ? -1.166  -26.540 4.699   1.000 22.453 0 87  LYS   AAA O   1 ? 
ATOM   569  C  CB  . LYS   A 1 74  ? 0.916   -26.347 7.024   1.000 33.996 0 87  LYS   AAA CB  1 ? 
ATOM   570  C  CG  . LYS   A 1 74  ? 1.737   -26.594 8.283   1.000 50.893 0 87  LYS   AAA CG  1 ? 
ATOM   571  C  CD  . LYS   A 1 74  ? 2.335   -25.329 8.897   1.000 59.539 0 87  LYS   AAA CD  1 ? 
ATOM   572  C  CE  . LYS   A 1 74  ? 1.303   -24.379 9.473   1.000 66.305 0 87  LYS   AAA CE  1 ? 
ATOM   573  N  NZ  . LYS   A 1 74  ? 1.915   -23.270 10.259  1.000 68.990 0 87  LYS   AAA NZ  1 ? 
ATOM   574  N  N   . GLN   A 1 75  ? -2.310  -26.505 6.653   1.000 23.550 0 88  GLN   AAA N   1 ? 
ATOM   575  C  CA  . GLN   A 1 75  ? -3.488  -25.790 6.198   1.000 23.716 0 88  GLN   AAA CA  1 ? 
ATOM   576  C  C   . GLN   A 1 75  ? -3.453  -24.370 6.768   1.000 25.145 0 88  GLN   AAA C   1 ? 
ATOM   577  O  O   . GLN   A 1 75  ? -3.356  -24.204 7.985   1.000 23.845 0 88  GLN   AAA O   1 ? 
ATOM   578  C  CB  . GLN   A 1 75  ? -4.739  -26.504 6.721   1.000 22.937 0 88  GLN   AAA CB  1 ? 
ATOM   579  C  CG  . GLN   A 1 75  ? -4.914  -27.916 6.192   1.000 25.587 0 88  GLN   AAA CG  1 ? 
ATOM   580  C  CD  . GLN   A 1 75  ? -5.923  -28.741 6.949   1.000 25.985 0 88  GLN   AAA CD  1 ? 
ATOM   581  O  OE1 . GLN   A 1 75  ? -5.598  -29.762 7.593   1.000 26.924 0 88  GLN   AAA OE1 1 ? 
ATOM   582  N  NE2 . GLN   A 1 75  ? -7.153  -28.284 6.874   1.000 25.906 0 88  GLN   AAA NE2 1 ? 
ATOM   583  N  N   . PHE   A 1 76  ? -3.570  -23.364 5.894   1.000 24.819 0 89  PHE   AAA N   1 ? 
ATOM   584  C  CA  . PHE   A 1 76  ? -3.666  -21.964 6.260   1.000 23.966 0 89  PHE   AAA CA  1 ? 
ATOM   585  C  C   . PHE   A 1 76  ? -5.066  -21.412 5.937   1.000 23.669 0 89  PHE   AAA C   1 ? 
ATOM   586  O  O   . PHE   A 1 76  ? -5.324  -20.847 4.858   1.000 23.892 0 89  PHE   AAA O   1 ? 
ATOM   587  C  CB  . PHE   A 1 76  ? -2.600  -21.158 5.529   1.000 26.293 0 89  PHE   AAA CB  1 ? 
ATOM   588  C  CG  . PHE   A 1 76  ? -1.191  -21.604 5.800   1.000 26.103 0 89  PHE   AAA CG  1 ? 
ATOM   589  C  CD1 . PHE   A 1 76  ? -0.478  -21.077 6.860   1.000 31.059 0 89  PHE   AAA CD1 1 ? 
ATOM   590  C  CD2 . PHE   A 1 76  ? -0.591  -22.559 4.998   1.000 27.248 0 89  PHE   AAA CD2 1 ? 
ATOM   591  C  CE1 . PHE   A 1 76  ? 0.821   -21.489 7.114   1.000 33.436 0 89  PHE   AAA CE1 1 ? 
ATOM   592  C  CE2 . PHE   A 1 76  ? 0.708   -22.964 5.249   1.000 31.030 0 89  PHE   AAA CE2 1 ? 
ATOM   593  C  CZ  . PHE   A 1 76  ? 1.413   -22.431 6.301   1.000 30.946 0 89  PHE   AAA CZ  1 ? 
ATOM   594  N  N   . ARG   A 1 77  ? -5.960  -21.598 6.901   1.000 23.869 0 90  ARG   AAA N   1 ? 
ATOM   595  C  CA  . ARG   A 1 77  ? -7.310  -21.090 6.834   1.000 27.872 0 90  ARG   AAA CA  1 ? 
ATOM   596  C  C   . ARG   A 1 77  ? -7.265  -19.604 7.140   1.000 29.654 0 90  ARG   AAA C   1 ? 
ATOM   597  O  O   . ARG   A 1 77  ? -6.526  -19.187 8.026   1.000 27.685 0 90  ARG   AAA O   1 ? 
ATOM   598  C  CB  . ARG   A 1 77  ? -8.164  -21.872 7.837   1.000 32.786 0 90  ARG   AAA CB  1 ? 
ATOM   599  C  CG  . ARG   A 1 77  ? -9.608  -22.060 7.414   1.000 39.576 0 90  ARG   AAA CG  1 ? 
ATOM   600  C  CD  . ARG   A 1 77  ? -10.378 -22.975 8.346   1.000 38.534 0 90  ARG   AAA CD  1 ? 
ATOM   601  N  NE  . ARG   A 1 77  ? -10.279 -22.526 9.729   1.000 41.784 0 90  ARG   AAA NE  1 ? 
ATOM   602  C  CZ  . ARG   A 1 77  ? -11.016 -22.989 10.730  1.000 47.690 0 90  ARG   AAA CZ  1 ? 
ATOM   603  N  NH1 . ARG   A 1 77  ? -12.004 -23.833 10.488  1.000 44.316 0 90  ARG   AAA NH1 1 ? 
ATOM   604  N  NH2 . ARG   A 1 77  ? -10.759 -22.601 11.970  1.000 45.182 0 90  ARG   AAA NH2 1 ? 
ATOM   605  N  N   . HIS   A 1 78  ? -8.026  -18.801 6.386   1.000 26.258 0 91  HIS   AAA N   1 ? 
ATOM   606  C  CA  . HIS   A 1 78  ? -8.071  -17.381 6.649   1.000 27.330 0 91  HIS   AAA CA  1 ? 
ATOM   607  C  C   . HIS   A 1 78  ? -8.404  -17.152 8.120   1.000 27.724 0 91  HIS   AAA C   1 ? 
ATOM   608  O  O   . HIS   A 1 78  ? -9.297  -17.785 8.690   1.000 27.969 0 91  HIS   AAA O   1 ? 
ATOM   609  C  CB  . HIS   A 1 78  ? -9.101  -16.667 5.758   1.000 28.598 0 91  HIS   AAA CB  1 ? 
ATOM   610  C  CG  . HIS   A 1 78  ? -8.848  -15.197 5.770   1.000 29.551 0 91  HIS   AAA CG  1 ? 
ATOM   611  N  ND1 . HIS   A 1 78  ? -9.211  -14.377 6.818   1.000 31.088 0 91  HIS   AAA ND1 1 ? 
ATOM   612  C  CD2 . HIS   A 1 78  ? -8.223  -14.399 4.874   1.000 31.254 0 91  HIS   AAA CD2 1 ? 
ATOM   613  C  CE1 . HIS   A 1 78  ? -8.863  -13.122 6.538   1.000 32.849 0 91  HIS   AAA CE1 1 ? 
ATOM   614  N  NE2 . HIS   A 1 78  ? -8.247  -13.110 5.372   1.000 32.091 0 91  HIS   AAA NE2 1 ? 
ATOM   615  N  N   . PRO   A 1 79  ? -7.639  -16.276 8.804   1.000 28.880 0 92  PRO   AAA N   1 ? 
ATOM   616  C  CA  . PRO   A 1 79  ? -7.806  -16.093 10.249  1.000 31.467 0 92  PRO   AAA CA  1 ? 
ATOM   617  C  C   . PRO   A 1 79  ? -9.146  -15.493 10.664  1.000 33.857 0 92  PRO   AAA C   1 ? 
ATOM   618  O  O   . PRO   A 1 79  ? -9.548  -15.657 11.806  1.000 32.978 0 92  PRO   AAA O   1 ? 
ATOM   619  C  CB  . PRO   A 1 79  ? -6.635  -15.169 10.648  1.000 33.372 0 92  PRO   AAA CB  1 ? 
ATOM   620  C  CG  . PRO   A 1 79  ? -6.290  -14.436 9.362   1.000 37.326 0 92  PRO   AAA CG  1 ? 
ATOM   621  C  CD  . PRO   A 1 79  ? -6.547  -15.454 8.250   1.000 31.425 0 92  PRO   AAA CD  1 ? 
ATOM   622  N  N   . LYS   A 1 80  ? -9.843  -14.822 9.740   1.000 31.925 0 93  LYS   AAA N   1 ? 
ATOM   623  C  CA  . LYS   A 1 80  ? -11.168 -14.261 10.019  1.000 34.946 0 93  LYS   AAA CA  1 ? 
ATOM   624  C  C   . LYS   A 1 80  ? -12.319 -15.151 9.527   1.000 34.138 0 93  LYS   AAA C   1 ? 
ATOM   625  O  O   . LYS   A 1 80  ? -13.489 -14.789 9.638   1.000 28.875 0 93  LYS   AAA O   1 ? 
ATOM   626  C  CB  . LYS   A 1 80  ? -11.218 -12.872 9.380   1.000 38.073 0 93  LYS   AAA CB  1 ? 
ATOM   627  C  CG  . LYS   A 1 80  ? -10.183 -11.884 9.916   1.000 45.498 0 93  LYS   AAA CG  1 ? 
ATOM   628  C  CD  . LYS   A 1 80  ? -10.582 -10.419 9.709   1.000 61.549 0 93  LYS   AAA CD  1 ? 
ATOM   629  C  CE  . LYS   A 1 80  ? -11.783 -10.009 10.551  1.000 69.903 0 93  LYS   AAA CE  1 ? 
ATOM   630  N  NZ  . LYS   A 1 80  ? -12.298 -8.657  10.211  1.000 75.980 0 93  LYS   AAA NZ  1 ? 
ATOM   631  N  N   . TYR   A 1 81  ? -12.008 -16.338 8.977   1.000 30.233 0 94  TYR   AAA N   1 ? 
ATOM   632  C  CA  . TYR   A 1 81  ? -13.028 -17.233 8.458   1.000 28.569 0 94  TYR   AAA CA  1 ? 
ATOM   633  C  C   . TYR   A 1 81  ? -14.110 -17.495 9.501   1.000 27.959 0 94  TYR   AAA C   1 ? 
ATOM   634  O  O   . TYR   A 1 81  ? -13.843 -17.823 10.666  1.000 27.209 0 94  TYR   AAA O   1 ? 
ATOM   635  C  CB  . TYR   A 1 81  ? -12.407 -18.567 8.037   1.000 28.080 0 94  TYR   AAA CB  1 ? 
ATOM   636  C  CG  . TYR   A 1 81  ? -13.416 -19.637 7.705   1.000 26.722 0 94  TYR   AAA CG  1 ? 
ATOM   637  C  CD1 . TYR   A 1 81  ? -14.266 -19.487 6.625   1.000 26.408 0 94  TYR   AAA CD1 1 ? 
ATOM   638  C  CD2 . TYR   A 1 81  ? -13.510 -20.811 8.444   1.000 28.043 0 94  TYR   AAA CD2 1 ? 
ATOM   639  C  CE1 . TYR   A 1 81  ? -15.217 -20.443 6.312   1.000 26.324 0 94  TYR   AAA CE1 1 ? 
ATOM   640  C  CE2 . TYR   A 1 81  ? -14.435 -21.786 8.122   1.000 28.090 0 94  TYR   AAA CE2 1 ? 
ATOM   641  C  CZ  . TYR   A 1 81  ? -15.278 -21.606 7.039   1.000 26.516 0 94  TYR   AAA CZ  1 ? 
ATOM   642  O  OH  . TYR   A 1 81  ? -16.232 -22.530 6.679   1.000 29.230 0 94  TYR   AAA OH  1 ? 
ATOM   643  N  N   . ASN   A 1 82  ? -15.355 -17.432 9.058   1.000 26.932 0 95  ASN   AAA N   1 ? 
ATOM   644  C  CA  . ASN   A 1 82  ? -16.505 -17.560 9.935   1.000 30.440 0 95  ASN   AAA CA  1 ? 
ATOM   645  C  C   . ASN   A 1 82  ? -17.344 -18.751 9.493   1.000 29.475 0 95  ASN   AAA C   1 ? 
ATOM   646  O  O   . ASN   A 1 82  ? -17.813 -18.788 8.360   1.000 28.993 0 95  ASN   AAA O   1 ? 
ATOM   647  C  CB  . ASN   A 1 82  ? -17.312 -16.273 9.890   1.000 34.088 0 95  ASN   AAA CB  1 ? 
ATOM   648  C  CG  . ASN   A 1 82  ? -18.436 -16.293 10.893  1.000 33.151 0 95  ASN   AAA CG  1 ? 
ATOM   649  O  OD1 . ASN   A 1 82  ? -19.329 -17.137 10.807  1.000 28.859 0 95  ASN   AAA OD1 1 ? 
ATOM   650  N  ND2 . ASN   A 1 82  ? -18.361 -15.375 11.841  1.000 34.420 0 95  ASN   AAA ND2 1 ? 
ATOM   651  N  N   . THR   A 1 83  ? -17.522 -19.742 10.366  1.000 27.606 0 96  THR   AAA N   1 ? 
ATOM   652  C  CA  . THR   A 1 83  ? -18.102 -21.013 9.957   1.000 30.146 0 96  THR   AAA CA  1 ? 
ATOM   653  C  C   . THR   A 1 83  ? -19.614 -20.891 9.749   1.000 33.880 0 96  THR   AAA C   1 ? 
ATOM   654  O  O   . THR   A 1 83  ? -20.201 -21.798 9.163   1.000 36.189 0 96  THR   AAA O   1 ? 
ATOM   655  C  CB  . THR   A 1 83  ? -17.829 -22.120 10.993  1.000 36.973 0 96  THR   AAA CB  1 ? 
ATOM   656  O  OG1 . THR   A 1 83  ? -18.283 -21.619 12.257  1.000 38.578 0 96  THR   AAA OG1 1 ? 
ATOM   657  C  CG2 . THR   A 1 83  ? -16.376 -22.489 11.156  1.000 35.939 0 96  THR   AAA CG2 1 ? 
ATOM   658  N  N   . SER   A 1 84  ? -20.232 -19.812 10.266  1.000 33.478 0 97  SER   AAA N   1 ? 
ATOM   659  C  CA  . SER   A 1 84  ? -21.665 -19.569 10.139  1.000 35.699 0 97  SER   AAA CA  1 ? 
ATOM   660  C  C   . SER   A 1 84  ? -21.992 -18.831 8.844   1.000 31.272 0 97  SER   AAA C   1 ? 
ATOM   661  O  O   . SER   A 1 84  ? -22.846 -19.269 8.086   1.000 35.560 0 97  SER   AAA O   1 ? 
ATOM   662  C  CB  . SER   A 1 84  ? -22.202 -18.759 11.276  1.000 37.939 0 97  SER   AAA CB  1 ? 
ATOM   663  O  OG  . SER   A 1 84  ? -22.111 -19.494 12.455  1.000 48.285 0 97  SER   AAA OG  1 ? 
ATOM   664  N  N   . THR   A 1 85  ? -21.326 -17.698 8.630   1.000 31.978 0 98  THR   AAA N   1 ? 
ATOM   665  C  CA  . THR   A 1 85  ? -21.620 -16.821 7.496   1.000 31.041 0 98  THR   AAA CA  1 ? 
ATOM   666  C  C   . THR   A 1 85  ? -20.831 -17.231 6.245   1.000 29.867 0 98  THR   AAA C   1 ? 
ATOM   667  O  O   . THR   A 1 85  ? -21.163 -16.801 5.133   1.000 28.732 0 98  THR   AAA O   1 ? 
ATOM   668  C  CB  . THR   A 1 85  ? -21.280 -15.358 7.815   1.000 31.643 0 98  THR   AAA CB  1 ? 
ATOM   669  O  OG1 . THR   A 1 85  ? -19.889 -15.239 8.119   1.000 29.680 0 98  THR   AAA OG1 1 ? 
ATOM   670  C  CG2 . THR   A 1 85  ? -22.071 -14.810 8.991   1.000 35.952 0 98  THR   AAA CG2 1 ? 
ATOM   671  N  N   . LEU   A 1 86  ? -19.756 -18.005 6.469   1.000 27.872 0 99  LEU   AAA N   1 ? 
ATOM   672  C  CA  . LEU   A 1 86  ? -18.723 -18.325 5.491   1.000 25.643 0 99  LEU   AAA CA  1 ? 
ATOM   673  C  C   . LEU   A 1 86  ? -18.054 -17.066 4.950   1.000 22.597 0 99  LEU   AAA C   1 ? 
ATOM   674  O  O   . LEU   A 1 86  ? -17.504 -17.065 3.846   1.000 24.982 0 99  LEU   AAA O   1 ? 
ATOM   675  C  CB  . LEU   A 1 86  ? -19.250 -19.205 4.351   1.000 26.414 0 99  LEU   AAA CB  1 ? 
ATOM   676  C  CG  . LEU   A 1 86  ? -19.780 -20.603 4.677   1.000 32.678 0 99  LEU   AAA CG  1 ? 
ATOM   677  C  CD1 . LEU   A 1 86  ? -19.756 -21.523 3.460   1.000 32.680 0 99  LEU   AAA CD1 1 ? 
ATOM   678  C  CD2 . LEU   A 1 86  ? -19.092 -21.254 5.837   1.000 37.368 0 99  LEU   AAA CD2 1 ? 
ATOM   679  N  N   . HIS   A 1 87  ? -18.028 -15.979 5.718   1.000 25.703 0 100 HIS   AAA N   1 ? 
ATOM   680  C  CA  . HIS   A 1 87  ? -17.133 -14.884 5.393   1.000 28.080 0 100 HIS   AAA CA  1 ? 
ATOM   681  C  C   . HIS   A 1 87  ? -15.698 -15.398 5.402   1.000 24.982 0 100 HIS   AAA C   1 ? 
ATOM   682  O  O   . HIS   A 1 87  ? -15.336 -16.260 6.218   1.000 23.708 0 100 HIS   AAA O   1 ? 
ATOM   683  C  CB  . HIS   A 1 87  ? -17.318 -13.690 6.343   1.000 31.180 0 100 HIS   AAA CB  1 ? 
ATOM   684  C  CG  . HIS   A 1 87  ? -18.474 -12.821 6.001   1.000 33.291 0 100 HIS   AAA CG  1 ? 
ATOM   685  N  ND1 . HIS   A 1 87  ? -18.702 -11.628 6.663   1.000 34.425 0 100 HIS   AAA ND1 1 ? 
ATOM   686  C  CD2 . HIS   A 1 87  ? -19.450 -12.930 5.062   1.000 35.660 0 100 HIS   AAA CD2 1 ? 
ATOM   687  C  CE1 . HIS   A 1 87  ? -19.785 -11.049 6.133   1.000 35.775 0 100 HIS   AAA CE1 1 ? 
ATOM   688  N  NE2 . HIS   A 1 87  ? -20.262 -11.822 5.174   1.000 35.467 0 100 HIS   AAA NE2 1 ? 
ATOM   689  N  N   . HIS   A 1 88  ? -14.903 -14.853 4.471   1.000 23.827 0 101 HIS   AAA N   1 ? 
ATOM   690  C  CA  . HIS   A 1 88  ? -13.482 -15.153 4.354   1.000 25.071 0 101 HIS   AAA CA  1 ? 
ATOM   691  C  C   . HIS   A 1 88  ? -13.283 -16.654 4.156   1.000 25.793 0 101 HIS   AAA C   1 ? 
ATOM   692  O  O   . HIS   A 1 88  ? -12.359 -17.232 4.701   1.000 24.466 0 101 HIS   AAA O   1 ? 
ATOM   693  C  CB  . HIS   A 1 88  ? -12.717 -14.548 5.539   1.000 26.445 0 101 HIS   AAA CB  1 ? 
ATOM   694  C  CG  . HIS   A 1 88  ? -13.231 -13.205 5.931   1.000 29.490 0 101 HIS   AAA CG  1 ? 
ATOM   695  N  ND1 . HIS   A 1 88  ? -13.108 -12.116 5.109   1.000 31.870 0 101 HIS   AAA ND1 1 ? 
ATOM   696  C  CD2 . HIS   A 1 88  ? -13.850 -12.755 7.045   1.000 32.167 0 101 HIS   AAA CD2 1 ? 
ATOM   697  C  CE1 . HIS   A 1 88  ? -13.614 -11.057 5.715   1.000 30.619 0 101 HIS   AAA CE1 1 ? 
ATOM   698  N  NE2 . HIS   A 1 88  ? -14.104 -11.428 6.870   1.000 31.954 0 101 HIS   AAA NE2 1 ? 
ATOM   699  N  N   . ASP   A 1 89  ? -14.064 -17.226 3.229   1.000 24.334 0 102 ASP   AAA N   1 ? 
ATOM   700  C  CA  . ASP   A 1 89  ? -13.979 -18.634 2.878   1.000 25.348 0 102 ASP   AAA CA  1 ? 
ATOM   701  C  C   . ASP   A 1 89  ? -12.825 -18.891 1.902   1.000 26.066 0 102 ASP   AAA C   1 ? 
ATOM   702  O  O   . ASP   A 1 89  ? -12.993 -19.082 0.685   1.000 24.621 0 102 ASP   AAA O   1 ? 
ATOM   703  C  CB  . ASP   A 1 89  ? -15.316 -19.104 2.319   1.000 25.066 0 102 ASP   AAA CB  1 ? 
ATOM   704  C  CG  . ASP   A 1 89  ? -15.447 -20.607 2.274   1.000 26.287 0 102 ASP   AAA CG  1 ? 
ATOM   705  O  OD1 . ASP   A 1 89  ? -14.576 -21.300 2.904   1.000 23.724 0 102 ASP   AAA OD1 1 ? 
ATOM   706  O  OD2 . ASP   A 1 89  ? -16.397 -21.054 1.622   1.000 25.858 0 102 ASP   AAA OD2 1 ? 
ATOM   707  N  N   . ILE   A 1 90  ? -11.615 -18.876 2.462   1.000 24.435 0 103 ILE   AAA N   1 ? 
ATOM   708  C  CA  . ILE   A 1 90  ? -10.428 -19.059 1.657   1.000 22.616 0 103 ILE   AAA CA  1 ? 
ATOM   709  C  C   . ILE   A 1 90  ? -9.354  -19.721 2.500   1.000 22.311 0 103 ILE   AAA C   1 ? 
ATOM   710  O  O   . ILE   A 1 90  ? -9.243  -19.414 3.682   1.000 23.524 0 103 ILE   AAA O   1 ? 
ATOM   711  C  CB  . ILE   A 1 90  ? -9.993  -17.719 1.049   1.000 23.329 0 103 ILE   AAA CB  1 ? 
ATOM   712  C  CG1 . ILE   A 1 90  ? -8.864  -17.929 0.038   1.000 22.740 0 103 ILE   AAA CG1 1 ? 
ATOM   713  C  CG2 . ILE   A 1 90  ? -9.620  -16.697 2.119   1.000 24.021 0 103 ILE   AAA CG2 1 ? 
ATOM   714  C  CD1 . ILE   A 1 90  ? -8.577  -16.674 -0.786  1.000 25.677 0 103 ILE   AAA CD1 1 ? 
ATOM   715  N  N   . MET   A 1 91  ? -8.558  -20.582 1.863   1.000 22.050 0 104 MET   AAA N   1 ? 
ATOM   716  C  CA  . MET   A 1 91  ? -7.552  -21.377 2.559   1.000 21.450 0 104 MET   AAA CA  1 ? 
ATOM   717  C  C   . MET   A 1 91  ? -6.429  -21.747 1.592   1.000 21.832 0 104 MET   AAA C   1 ? 
ATOM   718  O  O   . MET   A 1 91  ? -6.670  -22.095 0.430   1.000 21.300 0 104 MET   AAA O   1 ? 
ATOM   719  C  CB  . MET   A 1 91  ? -8.142  -22.661 3.143   1.000 23.782 0 104 MET   AAA CB  1 ? 
ATOM   720  C  CG  . MET   A 1 91  ? -7.096  -23.581 3.800   1.000 23.900 0 104 MET   AAA CG  1 ? 
ATOM   721  S  SD  . MET   A 1 91  ? -7.881  -24.954 4.679   1.000 24.971 0 104 MET   AAA SD  1 ? 
ATOM   722  C  CE  . MET   A 1 91  ? -8.679  -25.856 3.355   1.000 23.684 0 104 MET   AAA CE  1 ? 
ATOM   723  N  N   . LEU   A 1 92  ? -5.190  -21.656 2.087   1.000 21.237 0 105 LEU   AAA N   1 ? 
ATOM   724  C  CA  . LEU   A 1 92  ? -4.026  -22.127 1.346   1.000 23.379 0 105 LEU   AAA CA  1 ? 
ATOM   725  C  C   . LEU   A 1 92  ? -3.524  -23.449 1.925   1.000 22.597 0 105 LEU   AAA C   1 ? 
ATOM   726  O  O   . LEU   A 1 92  ? -3.472  -23.612 3.130   1.000 24.127 0 105 LEU   AAA O   1 ? 
ATOM   727  C  CB  . LEU   A 1 92  ? -2.914  -21.076 1.391   1.000 25.021 0 105 LEU   AAA CB  1 ? 
ATOM   728  C  CG  . LEU   A 1 92  ? -3.107  -19.943 0.384   1.000 25.974 0 105 LEU   AAA CG  1 ? 
ATOM   729  C  CD1 . LEU   A 1 92  ? -2.265  -18.722 0.764   1.000 28.898 0 105 LEU   AAA CD1 1 ? 
ATOM   730  C  CD2 . LEU   A 1 92  ? -2.755  -20.425 -1.001  1.000 26.961 0 105 LEU   AAA CD2 1 ? 
ATOM   731  N  N   . LEU   A 1 93  ? -3.210  -24.401 1.031   1.000 21.360 0 106 LEU   AAA N   1 ? 
ATOM   732  C  CA  . LEU   A 1 93  ? -2.639  -25.670 1.458   1.000 21.545 0 106 LEU   AAA CA  1 ? 
ATOM   733  C  C   . LEU   A 1 93  ? -1.189  -25.726 0.988   1.000 22.992 0 106 LEU   AAA C   1 ? 
ATOM   734  O  O   . LEU   A 1 93  ? -0.913  -25.559 -0.201  1.000 22.845 0 106 LEU   AAA O   1 ? 
ATOM   735  C  CB  . LEU   A 1 93  ? -3.430  -26.810 0.849   1.000 21.668 0 106 LEU   AAA CB  1 ? 
ATOM   736  C  CG  . LEU   A 1 93  ? -4.927  -26.764 1.093   1.000 21.761 0 106 LEU   AAA CG  1 ? 
ATOM   737  C  CD1 . LEU   A 1 93  ? -5.603  -27.900 0.306   1.000 21.897 0 106 LEU   AAA CD1 1 ? 
ATOM   738  C  CD2 . LEU   A 1 93  ? -5.200  -26.838 2.578   1.000 24.682 0 106 LEU   AAA CD2 1 ? 
ATOM   739  N  N   . LYS   A 1 94  ? -0.273  -25.932 1.928   1.000 22.563 0 107 LYS   AAA N   1 ? 
ATOM   740  C  CA  . LYS   A 1 94  ? 1.123   -26.121 1.579   1.000 24.000 0 107 LYS   AAA CA  1 ? 
ATOM   741  C  C   . LYS   A 1 94  ? 1.394   -27.602 1.370   1.000 24.966 0 107 LYS   AAA C   1 ? 
ATOM   742  O  O   . LYS   A 1 94  ? 1.108   -28.415 2.238   1.000 25.121 0 107 LYS   AAA O   1 ? 
ATOM   743  C  CB  . LYS   A 1 94  ? 2.074   -25.527 2.620   1.000 27.574 0 107 LYS   AAA CB  1 ? 
ATOM   744  C  CG  . LYS   A 1 94  ? 3.537   -25.694 2.253   1.000 26.285 0 107 LYS   AAA CG  1 ? 
ATOM   745  C  CD  . LYS   A 1 94  ? 4.531   -24.945 3.138   1.000 27.290 0 107 LYS   AAA CD  1 ? 
ATOM   746  C  CE  . LYS   A 1 94  ? 5.944   -25.079 2.616   1.000 30.435 0 107 LYS   AAA CE  1 ? 
ATOM   747  N  NZ  . LYS   A 1 94  ? 6.892   -24.298 3.448   1.000 29.456 0 107 LYS   AAA NZ  1 ? 
ATOM   748  N  N   . LEU   A 1 95  ? 1.964   -27.945 0.193   1.000 23.527 0 108 LEU   AAA N   1 ? 
ATOM   749  C  CA  . LEU   A 1 95  ? 2.285   -29.322 -0.146  1.000 24.548 0 108 LEU   AAA CA  1 ? 
ATOM   750  C  C   . LEU   A 1 95  ? 3.673   -29.662 0.383   1.000 25.829 0 108 LEU   AAA C   1 ? 
ATOM   751  O  O   . LEU   A 1 95  ? 4.549   -28.806 0.484   1.000 24.853 0 108 LEU   AAA O   1 ? 
ATOM   752  C  CB  . LEU   A 1 95  ? 2.222   -29.492 -1.665  1.000 25.664 0 108 LEU   AAA CB  1 ? 
ATOM   753  C  CG  . LEU   A 1 95  ? 0.939   -29.001 -2.331  1.000 24.553 0 108 LEU   AAA CG  1 ? 
ATOM   754  C  CD1 . LEU   A 1 95  ? 0.989   -29.306 -3.833  1.000 25.974 0 108 LEU   AAA CD1 1 ? 
ATOM   755  C  CD2 . LEU   A 1 95  ? -0.313  -29.637 -1.727  1.000 26.443 0 108 LEU   AAA CD2 1 ? 
ATOM   756  N  N   . LYS   A 1 96  ? 3.866   -30.946 0.670   1.000 26.356 0 109 LYS   AAA N   1 ? 
ATOM   757  C  CA  . LYS   A 1 96  ? 5.095   -31.441 1.263   1.000 26.495 0 109 LYS   AAA CA  1 ? 
ATOM   758  C  C   . LYS   A 1 96  ? 6.268   -31.212 0.322   1.000 27.043 0 109 LYS   AAA C   1 ? 
ATOM   759  O  O   . LYS   A 1 96  ? 7.357   -30.921 0.787   1.000 28.195 0 109 LYS   AAA O   1 ? 
ATOM   760  C  CB  . LYS   A 1 96  ? 5.029   -32.941 1.566   1.000 29.140 0 109 LYS   AAA CB  1 ? 
ATOM   761  C  CG  . LYS   A 1 96  ? 6.168   -33.418 2.461   1.000 32.967 0 109 LYS   AAA CG  1 ? 
ATOM   762  C  CD  . LYS   A 1 96  ? 6.100   -34.875 2.809   1.000 40.321 0 109 LYS   AAA CD  1 ? 
ATOM   763  C  CE  . LYS   A 1 96  ? 7.026   -35.281 3.944   1.000 36.178 0 109 LYS   AAA CE  1 ? 
ATOM   764  N  NZ  . LYS   A 1 96  ? 6.683   -34.655 5.239   1.000 32.572 0 109 LYS   AAA NZ  1 ? 
ATOM   765  N  N   . GLU   A 1 97  ? 6.057   -31.391 -0.982  1.000 24.571 0 110 GLU   AAA N   1 ? 
ATOM   766  C  CA  . GLU   A 1 97  ? 7.085   -31.015 -1.949  1.000 28.769 0 110 GLU   AAA CA  1 ? 
ATOM   767  C  C   . GLU   A 1 97  ? 6.443   -30.252 -3.100  1.000 26.964 0 110 GLU   AAA C   1 ? 
ATOM   768  O  O   . GLU   A 1 97  ? 5.224   -30.249 -3.273  1.000 28.135 0 110 GLU   AAA O   1 ? 
ATOM   769  C  CB  . GLU   A 1 97  ? 7.834   -32.231 -2.479  1.000 31.330 0 110 GLU   AAA CB  1 ? 
ATOM   770  C  CG  . GLU   A 1 97  ? 8.708   -32.929 -1.417  1.000 41.771 0 110 GLU   AAA CG  1 ? 
ATOM   771  C  CD  . GLU   A 1 97  ? 9.793   -32.104 -0.711  1.000 49.274 0 110 GLU   AAA CD  1 ? 
ATOM   772  O  OE1 . GLU   A 1 97  ? 10.252  -32.556 0.347   1.000 46.406 0 110 GLU   AAA OE1 1 ? 
ATOM   773  O  OE2 . GLU   A 1 97  ? 10.190  -31.002 -1.201  1.000 49.877 0 110 GLU   AAA OE2 1 ? 
ATOM   774  N  N   . LYS   A 1 98  ? 7.293   -29.672 -3.934  1.000 26.090 0 111 LYS   AAA N   1 ? 
ATOM   775  C  CA  . LYS   A 1 98  ? 6.793   -29.008 -5.118  1.000 27.572 0 111 LYS   AAA CA  1 ? 
ATOM   776  C  C   . LYS   A 1 98  ? 6.364   -30.054 -6.134  1.000 24.806 0 111 LYS   AAA C   1 ? 
ATOM   777  O  O   . LYS   A 1 98  ? 7.078   -31.036 -6.371  1.000 26.756 0 111 LYS   AAA O   1 ? 
ATOM   778  C  CB  . LYS   A 1 98  ? 7.874   -28.058 -5.638  1.000 28.001 0 111 LYS   AAA CB  1 ? 
ATOM   779  C  CG  . LYS   A 1 98  ? 7.900   -26.738 -4.898  1.000 29.419 0 111 LYS   AAA CG  1 ? 
ATOM   780  C  CD  . LYS   A 1 98  ? 9.052   -25.859 -5.208  1.000 35.528 0 111 LYS   AAA CD  1 ? 
ATOM   781  C  CE  . LYS   A 1 98  ? 9.061   -24.663 -4.277  1.000 38.776 0 111 LYS   AAA CE  1 ? 
ATOM   782  N  NZ  . LYS   A 1 98  ? 10.201  -23.775 -4.538  1.000 40.897 0 111 LYS   AAA NZ  1 ? 
ATOM   783  N  N   . ALA   A 1 99  ? 5.211   -29.815 -6.741  1.000 24.953 0 112 ALA   AAA N   1 ? 
ATOM   784  C  CA  . ALA   A 1 99  ? 4.713   -30.648 -7.813  1.000 24.242 0 112 ALA   AAA CA  1 ? 
ATOM   785  C  C   . ALA   A 1 99  ? 5.664   -30.591 -9.008  1.000 25.529 0 112 ALA   AAA C   1 ? 
ATOM   786  O  O   . ALA   A 1 99  ? 6.341   -29.595 -9.241  1.000 24.887 0 112 ALA   AAA O   1 ? 
ATOM   787  C  CB  . ALA   A 1 99  ? 3.348   -30.182 -8.232  1.000 24.287 0 112 ALA   AAA CB  1 ? 
ATOM   788  N  N   . SER   A 1 100 ? 5.588   -31.629 -9.815  1.000 25.195 0 113 SER   AAA N   1 ? 
ATOM   789  C  CA  . SER   A 1 100 ? 6.263   -31.660 -11.089 1.000 25.887 0 113 SER   AAA CA  1 ? 
ATOM   790  C  C   . SER   A 1 100 ? 5.367   -30.933 -12.074 1.000 25.114 0 113 SER   AAA C   1 ? 
ATOM   791  O  O   . SER   A 1 100 ? 4.145   -31.062 -12.009 1.000 24.692 0 113 SER   AAA O   1 ? 
ATOM   792  C  CB  . SER   A 1 100 ? 6.551   -33.066 -11.577 1.000 26.598 0 113 SER   AAA CB  1 ? 
ATOM   793  O  OG  . SER   A 1 100 ? 7.444   -33.777 -10.723 1.000 26.572 0 113 SER   AAA OG  1 ? 
ATOM   794  N  N   . LEU   A 1 101 ? 6.021   -30.168 -12.959 1.000 24.719 0 114 LEU   AAA N   1 ? 
ATOM   795  C  CA  . LEU   A 1 101 ? 5.373   -29.513 -14.072 1.000 23.905 0 114 LEU   AAA CA  1 ? 
ATOM   796  C  C   . LEU   A 1 101 ? 5.330   -30.485 -15.220 1.000 26.035 0 114 LEU   AAA C   1 ? 
ATOM   797  O  O   . LEU   A 1 101 ? 6.389   -31.021 -15.600 1.000 24.248 0 114 LEU   AAA O   1 ? 
ATOM   798  C  CB  . LEU   A 1 101 ? 6.191   -28.259 -14.434 1.000 25.179 0 114 LEU   AAA CB  1 ? 
ATOM   799  C  CG  . LEU   A 1 101 ? 6.289   -27.210 -13.337 1.000 26.372 0 114 LEU   AAA CG  1 ? 
ATOM   800  C  CD1 . LEU   A 1 101 ? 7.056   -25.988 -13.869 1.000 26.982 0 114 LEU   AAA CD1 1 ? 
ATOM   801  C  CD2 . LEU   A 1 101 ? 4.896   -26.822 -12.871 1.000 26.524 0 114 LEU   AAA CD2 1 ? 
ATOM   802  N  N   . THR   A 1 102 ? 4.097   -30.727 -15.707 1.000 24.500 0 115 THR   AAA N   1 ? 
ATOM   803  C  CA  . THR   A 1 102 ? 3.875   -31.625 -16.828 1.000 25.437 0 115 THR   AAA CA  1 ? 
ATOM   804  C  C   . THR   A 1 102 ? 2.848   -30.966 -17.730 1.000 25.606 0 115 THR   AAA C   1 ? 
ATOM   805  O  O   . THR   A 1 102 ? 2.282   -29.952 -17.365 1.000 24.861 0 115 THR   AAA O   1 ? 
ATOM   806  C  CB  . THR   A 1 102 ? 3.394   -33.018 -16.377 1.000 24.808 0 115 THR   AAA CB  1 ? 
ATOM   807  O  OG1 . THR   A 1 102 ? 2.088   -32.860 -15.788 1.000 24.287 0 115 THR   AAA OG1 1 ? 
ATOM   808  C  CG2 . THR   A 1 102 ? 4.328   -33.716 -15.417 1.000 26.037 0 115 THR   AAA CG2 1 ? 
ATOM   809  N  N   . LEU   A 1 103 ? 2.574   -31.546 -18.913 1.000 26.680 0 116 LEU   AAA N   1 ? 
ATOM   810  C  CA  . LEU   A 1 103 ? 1.471   -31.013 -19.686 1.000 26.493 0 116 LEU   AAA CA  1 ? 
ATOM   811  C  C   . LEU   A 1 103 ? 0.174   -31.012 -18.874 1.000 27.190 0 116 LEU   AAA C   1 ? 
ATOM   812  O  O   . LEU   A 1 103 ? -0.626  -30.077 -18.972 1.000 27.430 0 116 LEU   AAA O   1 ? 
ATOM   813  C  CB  . LEU   A 1 103 ? 1.310   -31.838 -20.965 1.000 26.927 0 116 LEU   AAA CB  1 ? 
ATOM   814  C  CG  . LEU   A 1 103 ? 0.153   -31.384 -21.843 1.000 28.835 0 116 LEU   AAA CG  1 ? 
ATOM   815  C  CD1 . LEU   A 1 103 ? 0.347   -29.941 -22.298 1.000 32.551 0 116 LEU   AAA CD1 1 ? 
ATOM   816  C  CD2 . LEU   A 1 103 ? 0.077   -32.278 -23.061 1.000 32.170 0 116 LEU   AAA CD2 1 ? 
ATOM   817  N  N   . ALA   A 1 104 ? -0.038  -32.048 -18.047 1.000 22.779 0 117 ALA   AAA N   1 ? 
ATOM   818  C  CA  . ALA   A 1 104 ? -1.281  -32.216 -17.290 1.000 24.635 0 117 ALA   AAA CA  1 ? 
ATOM   819  C  C   . ALA   A 1 104 ? -1.297  -31.459 -15.954 1.000 25.148 0 117 ALA   AAA C   1 ? 
ATOM   820  O  O   . ALA   A 1 104 ? -2.347  -31.410 -15.324 1.000 22.866 0 117 ALA   AAA O   1 ? 
ATOM   821  C  CB  . ALA   A 1 104 ? -1.500  -33.694 -17.021 1.000 27.432 0 117 ALA   AAA CB  1 ? 
ATOM   822  N  N   . VAL   A 1 105 ? -0.143  -30.944 -15.492 1.000 26.632 0 118 VAL   AAA N   1 ? 
ATOM   823  C  CA  . VAL   A 1 105 ? -0.067  -30.254 -14.205 1.000 24.498 0 118 VAL   AAA CA  1 ? 
ATOM   824  C  C   . VAL   A 1 105 ? 0.762   -28.985 -14.365 1.000 22.013 0 118 VAL   AAA C   1 ? 
ATOM   825  O  O   . VAL   A 1 105 ? 1.943   -29.074 -14.669 1.000 26.903 0 118 VAL   AAA O   1 ? 
ATOM   826  C  CB  . VAL   A 1 105 ? 0.539   -31.164 -13.115 1.000 24.419 0 118 VAL   AAA CB  1 ? 
ATOM   827  C  CG1 . VAL   A 1 105 ? 0.731   -30.429 -11.798 1.000 23.555 0 118 VAL   AAA CG1 1 ? 
ATOM   828  C  CG2 . VAL   A 1 105 ? -0.330  -32.392 -12.858 1.000 25.214 0 118 VAL   AAA CG2 1 ? 
ATOM   829  N  N   . GLY   A 1 106 ? 0.156   -27.856 -14.007 1.000 23.884 0 119 GLY   AAA N   1 ? 
ATOM   830  C  CA  . GLY   A 1 106 ? 0.801   -26.555 -14.002 1.000 22.655 0 119 GLY   AAA CA  1 ? 
ATOM   831  C  C   . GLY   A 1 106 ? 0.073   -25.614 -13.058 1.000 24.579 0 119 GLY   AAA C   1 ? 
ATOM   832  O  O   . GLY   A 1 106 ? -1.027  -25.919 -12.614 1.000 24.345 0 119 GLY   AAA O   1 ? 
ATOM   833  N  N   . THR   A 1 107 ? 0.725   -24.506 -12.726 1.000 27.080 0 120 THR   AAA N   1 ? 
ATOM   834  C  CA  . THR   A 1 107 ? 0.147   -23.495 -11.855 1.000 25.053 0 120 THR   AAA CA  1 ? 
ATOM   835  C  C   . THR   A 1 107 ? -0.696  -22.525 -12.676 1.000 30.319 0 120 THR   AAA C   1 ? 
ATOM   836  O  O   . THR   A 1 107 ? -0.538  -22.386 -13.888 1.000 30.246 0 120 THR   AAA O   1 ? 
ATOM   837  C  CB  . THR   A 1 107 ? 1.255   -22.738 -11.112 1.000 28.701 0 120 THR   AAA CB  1 ? 
ATOM   838  O  OG1 . THR   A 1 107 ? 1.977   -21.957 -12.071 1.000 26.874 0 120 THR   AAA OG1 1 ? 
ATOM   839  C  CG2 . THR   A 1 107 ? 2.183   -23.661 -10.375 1.000 25.732 0 120 THR   AAA CG2 1 ? 
ATOM   840  N  N   . LEU   A 1 108 ? -1.600  -21.850 -11.979 1.000 29.706 0 121 LEU   AAA N   1 ? 
ATOM   841  C  CA  . LEU   A 1 108 ? -2.379  -20.790 -12.554 1.000 33.028 0 121 LEU   AAA CA  1 ? 
ATOM   842  C  C   . LEU   A 1 108 ? -1.891  -19.478 -11.926 1.000 36.807 0 121 LEU   AAA C   1 ? 
ATOM   843  O  O   . LEU   A 1 108 ? -2.206  -19.387 -10.735 1.000 42.045 0 121 LEU   AAA O   1 ? 
ATOM   844  C  CB  . LEU   A 1 108 ? -3.836  -21.097 -12.209 1.000 31.193 0 121 LEU   AAA CB  1 ? 
ATOM   845  C  CG  . LEU   A 1 108 ? -4.855  -20.114 -12.778 1.000 39.173 0 121 LEU   AAA CG  1 ? 
ATOM   846  C  CD1 . LEU   A 1 108 ? -4.762  -20.052 -14.296 1.000 39.557 0 121 LEU   AAA CD1 1 ? 
ATOM   847  C  CD2 . LEU   A 1 108 ? -6.242  -20.519 -12.337 1.000 41.250 0 121 LEU   AAA CD2 1 ? 
ATOM   848  N  N   . GLY   A 1 120 ? -21.664 -8.582  -15.098 1.000 51.440 0 133 GLY   AAA N   1 ? 
ATOM   849  C  CA  . GLY   A 1 120 ? -22.321 -8.960  -16.373 1.000 49.664 0 133 GLY   AAA CA  1 ? 
ATOM   850  C  C   . GLY   A 1 120 ? -21.522 -9.916  -17.279 1.000 47.477 0 133 GLY   AAA C   1 ? 
ATOM   851  O  O   . GLY   A 1 120 ? -22.049 -10.405 -18.267 1.000 47.890 0 133 GLY   AAA O   1 ? 
ATOM   852  N  N   . ARG   A 1 121 ? -20.264 -10.231 -16.967 1.000 51.127 0 134 ARG   AAA N   1 ? 
ATOM   853  C  CA  . ARG   A 1 121 ? -19.474 -11.057 -17.865 1.000 47.253 0 134 ARG   AAA CA  1 ? 
ATOM   854  C  C   . ARG   A 1 121 ? -19.686 -12.554 -17.577 1.000 45.619 0 134 ARG   AAA C   1 ? 
ATOM   855  O  O   . ARG   A 1 121 ? -20.270 -12.941 -16.566 1.000 38.378 0 134 ARG   AAA O   1 ? 
ATOM   856  C  CB  . ARG   A 1 121 ? -18.018 -10.597 -17.798 1.000 52.817 0 134 ARG   AAA CB  1 ? 
ATOM   857  C  CG  . ARG   A 1 121 ? -17.379 -10.686 -16.419 1.000 59.689 0 134 ARG   AAA CG  1 ? 
ATOM   858  C  CD  . ARG   A 1 121 ? -15.864 -10.819 -16.516 1.000 66.916 0 134 ARG   AAA CD  1 ? 
ATOM   859  N  NE  . ARG   A 1 121 ? -15.504 -11.933 -17.389 1.000 70.624 0 134 ARG   AAA NE  1 ? 
ATOM   860  C  CZ  . ARG   A 1 121 ? -14.724 -11.841 -18.464 1.000 77.312 0 134 ARG   AAA CZ  1 ? 
ATOM   861  N  NH1 . ARG   A 1 121 ? -14.084 -10.715 -18.733 1.000 75.096 0 134 ARG   AAA NH1 1 ? 
ATOM   862  N  NH2 . ARG   A 1 121 ? -14.569 -12.892 -19.252 1.000 75.475 0 134 ARG   AAA NH2 1 ? 
ATOM   863  N  N   . MET   A 1 122 ? -19.253 -13.413 -18.512 1.000 36.254 0 135 MET   AAA N   1 ? 
ATOM   864  C  CA  . MET   A 1 122 ? -19.377 -14.859 -18.370 1.000 38.452 0 135 MET   AAA CA  1 ? 
ATOM   865  C  C   . MET   A 1 122 ? -18.046 -15.425 -17.875 1.000 34.065 0 135 MET   AAA C   1 ? 
ATOM   866  O  O   . MET   A 1 122 ? -16.977 -15.039 -18.337 1.000 34.015 0 135 MET   AAA O   1 ? 
ATOM   867  C  CB  . MET   A 1 122 ? -19.737 -15.547 -19.692 1.000 43.158 0 135 MET   AAA CB  1 ? 
ATOM   868  C  CG  . MET   A 1 122 ? -21.153 -15.218 -20.177 1.000 52.240 0 135 MET   AAA CG  1 ? 
ATOM   869  S  SD  . MET   A 1 122 ? -22.486 -15.922 -19.135 1.000 54.159 0 135 MET   AAA SD  1 ? 
ATOM   870  C  CE  . MET   A 1 122 ? -23.896 -15.222 -20.001 1.000 57.188 0 135 MET   AAA CE  1 ? 
ATOM   871  N  N   . CYS   A 1 123 ? -18.141 -16.351 -16.923 1.000 30.296 0 136 CYS   AAA N   1 ? 
ATOM   872  C  CA  . CYS   A 1 123 ? -16.986 -16.990 -16.315 1.000 30.583 0 136 CYS   AAA CA  1 ? 
ATOM   873  C  C   . CYS   A 1 123 ? -17.218 -18.493 -16.327 1.000 29.085 0 136 CYS   AAA C   1 ? 
ATOM   874  O  O   . CYS   A 1 123 ? -18.306 -18.966 -16.636 1.000 35.067 0 136 CYS   AAA O   1 ? 
ATOM   875  C  CB  . CYS   A 1 123 ? -16.752 -16.483 -14.892 1.000 31.651 0 136 CYS   AAA CB  1 ? 
ATOM   876  S  SG  . CYS   A 1 123 ? -16.556 -14.673 -14.806 1.000 36.904 0 136 CYS   AAA SG  1 ? 
ATOM   877  N  N   . ARG   A 1 124 ? -16.161 -19.254 -16.060 1.000 30.283 0 137 ARG   AAA N   1 ? 
ATOM   878  C  CA  . ARG   A 1 124 ? -16.254 -20.698 -16.098 1.000 30.643 0 137 ARG   AAA CA  1 ? 
ATOM   879  C  C   . ARG   A 1 124 ? -15.807 -21.274 -14.757 1.000 28.093 0 137 ARG   AAA C   1 ? 
ATOM   880  O  O   . ARG   A 1 124 ? -14.882 -20.758 -14.140 1.000 28.095 0 137 ARG   AAA O   1 ? 
ATOM   881  C  CB  . ARG   A 1 124 ? -15.348 -21.290 -17.189 1.000 37.002 0 137 ARG   AAA CB  1 ? 
ATOM   882  C  CG  . ARG   A 1 124 ? -15.588 -20.705 -18.570 1.000 51.351 0 137 ARG   AAA CG  1 ? 
ATOM   883  C  CD  . ARG   A 1 124 ? -14.782 -21.415 -19.652 1.000 60.744 0 137 ARG   AAA CD  1 ? 
ATOM   884  N  NE  . ARG   A 1 124 ? -14.811 -20.618 -20.873 1.000 73.627 0 137 ARG   AAA NE  1 ? 
ATOM   885  C  CZ  . ARG   A 1 124 ? -15.577 -20.872 -21.931 1.000 84.797 0 137 ARG   AAA CZ  1 ? 
ATOM   886  N  NH1 . ARG   A 1 124 ? -16.295 -21.982 -21.976 1.000 88.547 0 137 ARG   AAA NH1 1 ? 
ATOM   887  N  NH2 . ARG   A 1 124 ? -15.609 -20.022 -22.946 1.000 82.742 0 137 ARG   AAA NH2 1 ? 
ATOM   888  N  N   . VAL   A 1 125 ? -16.429 -22.387 -14.362 1.000 26.706 0 138 VAL   AAA N   1 ? 
ATOM   889  C  CA  . VAL   A 1 125 ? -16.004 -23.104 -13.171 1.000 28.919 0 138 VAL   AAA CA  1 ? 
ATOM   890  C  C   . VAL   A 1 125 ? -15.952 -24.587 -13.517 1.000 27.103 0 138 VAL   AAA C   1 ? 
ATOM   891  O  O   . VAL   A 1 125 ? -16.822 -25.081 -14.218 1.000 28.022 0 138 VAL   AAA O   1 ? 
ATOM   892  C  CB  . VAL   A 1 125 ? -16.908 -22.798 -11.952 1.000 30.309 0 138 VAL   AAA CB  1 ? 
ATOM   893  C  CG1 . VAL   A 1 125 ? -18.377 -23.067 -12.219 1.000 32.867 0 138 VAL   AAA CG1 1 ? 
ATOM   894  C  CG2 . VAL   A 1 125 ? -16.436 -23.544 -10.698 1.000 31.849 0 138 VAL   AAA CG2 1 ? 
ATOM   895  N  N   . ALA   A 1 126 ? -14.971 -25.282 -12.927 1.000 25.411 0 139 ALA   AAA N   1 ? 
ATOM   896  C  CA  . ALA   A 1 126 ? -14.812 -26.709 -13.094 1.000 25.669 0 139 ALA   AAA CA  1 ? 
ATOM   897  C  C   . ALA   A 1 126 ? -14.819 -27.427 -11.747 1.000 25.485 0 139 ALA   AAA C   1 ? 
ATOM   898  O  O   . ALA   A 1 126 ? -14.425 -26.863 -10.735 1.000 24.442 0 139 ALA   AAA O   1 ? 
ATOM   899  C  CB  . ALA   A 1 126 ? -13.504 -27.004 -13.778 1.000 26.140 0 139 ALA   AAA CB  1 ? 
ATOM   900  N  N   . GLY   A 1 127 ? -15.208 -28.700 -11.775 1.000 23.958 0 140 GLY   AAA N   1 ? 
ATOM   901  C  CA  . GLY   A 1 127 ? -15.147 -29.540 -10.590 1.000 23.132 0 140 GLY   AAA CA  1 ? 
ATOM   902  C  C   . GLY   A 1 127 ? -15.642 -30.960 -10.818 1.000 25.453 0 140 GLY   AAA C   1 ? 
ATOM   903  O  O   . GLY   A 1 127 ? -16.189 -31.286 -11.874 1.000 24.234 0 140 GLY   AAA O   1 ? 
ATOM   904  N  N   . TRP   A 1 128 ? -15.448 -31.785 -9.787  1.000 24.964 0 141 TRP   AAA N   1 ? 
ATOM   905  C  CA  . TRP   A 1 128 ? -15.870 -33.179 -9.740  1.000 24.092 0 141 TRP   AAA CA  1 ? 
ATOM   906  C  C   . TRP   A 1 128 ? -17.122 -33.337 -8.875  1.000 26.532 0 141 TRP   AAA C   1 ? 
ATOM   907  O  O   . TRP   A 1 128 ? -17.461 -34.441 -8.463  1.000 29.888 0 141 TRP   AAA O   1 ? 
ATOM   908  C  CB  . TRP   A 1 128 ? -14.729 -34.037 -9.188  1.000 23.995 0 141 TRP   AAA CB  1 ? 
ATOM   909  C  CG  . TRP   A 1 128 ? -13.507 -34.189 -10.036 1.000 25.440 0 141 TRP   AAA CG  1 ? 
ATOM   910  C  CD1 . TRP   A 1 128 ? -13.333 -35.110 -11.032 1.000 27.727 0 141 TRP   AAA CD1 1 ? 
ATOM   911  C  CD2 . TRP   A 1 128 ? -12.307 -33.400 -10.021 1.000 23.484 0 141 TRP   AAA CD2 1 ? 
ATOM   912  N  NE1 . TRP   A 1 128 ? -12.101 -34.967 -11.607 1.000 27.890 0 141 TRP   AAA NE1 1 ? 
ATOM   913  C  CE2 . TRP   A 1 128 ? -11.470 -33.895 -11.049 1.000 25.248 0 141 TRP   AAA CE2 1 ? 
ATOM   914  C  CE3 . TRP   A 1 128 ? -11.885 -32.259 -9.321  1.000 25.411 0 141 TRP   AAA CE3 1 ? 
ATOM   915  C  CZ2 . TRP   A 1 128 ? -10.195 -33.379 -11.303 1.000 25.740 0 141 TRP   AAA CZ2 1 ? 
ATOM   916  C  CZ3 . TRP   A 1 128 ? -10.618 -31.768 -9.565  1.000 24.479 0 141 TRP   AAA CZ3 1 ? 
ATOM   917  C  CH2 . TRP   A 1 128 ? -9.806  -32.287 -10.568 1.000 26.919 0 141 TRP   AAA CH2 1 ? 
ATOM   918  N  N   . GLY   A 1 129 ? -17.805 -32.239 -8.562  1.000 27.627 0 142 GLY   AAA N   1 ? 
ATOM   919  C  CA  . GLY   A 1 129 ? -18.993 -32.297 -7.711  1.000 29.427 0 142 GLY   AAA CA  1 ? 
ATOM   920  C  C   . GLY   A 1 129 ? -20.200 -32.967 -8.364  1.000 29.180 0 142 GLY   AAA C   1 ? 
ATOM   921  O  O   . GLY   A 1 129 ? -20.123 -33.379 -9.516  1.000 29.482 0 142 GLY   AAA O   1 ? 
ATOM   922  N  N   . ARG   A 1 130 ? -21.311 -33.041 -7.606  1.000 26.916 0 143 ARG   AAA N   1 ? 
ATOM   923  C  CA  . ARG   A 1 130 ? -22.529 -33.704 -8.039  1.000 31.735 0 143 ARG   AAA CA  1 ? 
ATOM   924  C  C   . ARG   A 1 130 ? -23.076 -32.991 -9.269  1.000 33.246 0 143 ARG   AAA C   1 ? 
ATOM   925  O  O   . ARG   A 1 130 ? -22.895 -31.789 -9.411  1.000 29.893 0 143 ARG   AAA O   1 ? 
ATOM   926  C  CB  . ARG   A 1 130 ? -23.568 -33.691 -6.908  1.000 34.938 0 143 ARG   AAA CB  1 ? 
ATOM   927  C  CG  . ARG   A 1 130 ? -23.039 -34.329 -5.630  1.000 35.338 0 143 ARG   AAA CG  1 ? 
ATOM   928  C  CD  . ARG   A 1 130 ? -24.020 -34.349 -4.486  1.000 40.571 0 143 ARG   AAA CD  1 ? 
ATOM   929  N  NE  . ARG   A 1 130 ? -23.411 -34.936 -3.300  1.000 48.066 0 143 ARG   AAA NE  1 ? 
ATOM   930  C  CZ  . ARG   A 1 130 ? -24.098 -35.387 -2.261  1.000 55.657 0 143 ARG   AAA CZ  1 ? 
ATOM   931  N  NH1 . ARG   A 1 130 ? -25.417 -35.306 -2.258  1.000 66.355 0 143 ARG   AAA NH1 1 ? 
ATOM   932  N  NH2 . ARG   A 1 130 ? -23.469 -35.919 -1.231  1.000 62.223 0 143 ARG   AAA NH2 1 ? 
ATOM   933  N  N   . THR   A 1 131 ? -23.769 -33.745 -10.138 1.000 34.041 0 144 THR   AAA N   1 ? 
ATOM   934  C  CA  . THR   A 1 131 ? -24.273 -33.204 -11.387 1.000 35.488 0 144 THR   AAA CA  1 ? 
ATOM   935  C  C   . THR   A 1 131 ? -25.775 -32.937 -11.266 1.000 35.946 0 144 THR   AAA C   1 ? 
ATOM   936  O  O   . THR   A 1 131 ? -26.454 -32.662 -12.256 1.000 35.994 0 144 THR   AAA O   1 ? 
ATOM   937  C  CB  . THR   A 1 131 ? -23.925 -34.159 -12.527 1.000 35.304 0 144 THR   AAA CB  1 ? 
ATOM   938  O  OG1 . THR   A 1 131 ? -24.518 -35.405 -12.139 1.000 35.581 0 144 THR   AAA OG1 1 ? 
ATOM   939  C  CG2 . THR   A 1 131 ? -22.425 -34.278 -12.744 1.000 35.599 0 144 THR   AAA CG2 1 ? 
ATOM   940  N  N   . GLY   A 1 132 ? -26.275 -33.058 -10.041 1.000 34.086 0 145 GLY   AAA N   1 ? 
ATOM   941  C  CA  . GLY   A 1 132 ? -27.674 -32.830 -9.732  1.000 34.620 0 145 GLY   AAA CA  1 ? 
ATOM   942  C  C   . GLY   A 1 132 ? -27.903 -32.998 -8.242  1.000 35.209 0 145 GLY   AAA C   1 ? 
ATOM   943  O  O   . GLY   A 1 132 ? -27.055 -33.548 -7.556  1.000 36.781 0 145 GLY   AAA O   1 ? 
ATOM   944  N  N   . VAL   A 1 133 ? -29.024 -32.466 -7.747  1.000 35.262 0 146 VAL   AAA N   1 ? 
ATOM   945  C  CA  . VAL   A 1 133 ? -29.297 -32.450 -6.326  1.000 38.273 0 146 VAL   AAA CA  1 ? 
ATOM   946  C  C   . VAL   A 1 133 ? -29.199 -33.888 -5.807  1.000 41.621 0 146 VAL   AAA C   1 ? 
ATOM   947  O  O   . VAL   A 1 133 ? -28.667 -34.134 -4.735  1.000 48.232 0 146 VAL   AAA O   1 ? 
ATOM   948  C  CB  . VAL   A 1 133 ? -30.677 -31.822 -6.042  1.000 44.721 0 146 VAL   AAA CB  1 ? 
ATOM   949  C  CG1 . VAL   A 1 133 ? -31.143 -32.107 -4.622  1.000 48.158 0 146 VAL   AAA CG1 1 ? 
ATOM   950  C  CG2 . VAL   A 1 133 ? -30.688 -30.322 -6.322  1.000 46.048 0 146 VAL   AAA CG2 1 ? 
ATOM   951  N  N   . LEU   A 1 134 ? -29.747 -34.843 -6.555  1.000 44.792 0 147 LEU   AAA N   1 ? 
ATOM   952  C  CA  . LEU   A 1 134 ? -29.820 -36.200 -6.039  1.000 47.235 0 147 LEU   AAA CA  1 ? 
ATOM   953  C  C   . LEU   A 1 134 ? -28.745 -37.085 -6.654  1.000 46.803 0 147 LEU   AAA C   1 ? 
ATOM   954  O  O   . LEU   A 1 134 ? -28.764 -38.285 -6.409  1.000 48.630 0 147 LEU   AAA O   1 ? 
ATOM   955  C  CB  . LEU   A 1 134 ? -31.218 -36.739 -6.347  1.000 51.614 0 147 LEU   AAA CB  1 ? 
ATOM   956  C  CG  . LEU   A 1 134 ? -32.373 -36.021 -5.651  1.000 54.762 0 147 LEU   AAA CG  1 ? 
ATOM   957  C  CD1 . LEU   A 1 134 ? -33.680 -36.740 -5.937  1.000 55.701 0 147 LEU   AAA CD1 1 ? 
ATOM   958  C  CD2 . LEU   A 1 134 ? -32.123 -35.914 -4.145  1.000 58.975 0 147 LEU   AAA CD2 1 ? 
ATOM   959  N  N   . LYS   A 1 135 ? -27.826 -36.512 -7.445  1.000 41.781 0 148 LYS   AAA N   1 ? 
ATOM   960  C  CA  . LYS   A 1 135 ? -26.876 -37.301 -8.214  1.000 42.916 0 148 LYS   AAA CA  1 ? 
ATOM   961  C  C   . LYS   A 1 135 ? -25.568 -37.430 -7.448  1.000 41.058 0 148 LYS   AAA C   1 ? 
ATOM   962  O  O   . LYS   A 1 135 ? -25.172 -36.544 -6.694  1.000 40.105 0 148 LYS   AAA O   1 ? 
ATOM   963  C  CB  . LYS   A 1 135 ? -26.560 -36.651 -9.561  1.000 49.793 0 148 LYS   AAA CB  1 ? 
ATOM   964  C  CG  . LYS   A 1 135 ? -27.769 -36.336 -10.428 1.000 57.112 0 148 LYS   AAA CG  1 ? 
ATOM   965  C  CD  . LYS   A 1 135 ? -28.447 -37.562 -10.976 1.000 60.573 0 148 LYS   AAA CD  1 ? 
ATOM   966  C  CE  . LYS   A 1 135 ? -29.705 -37.237 -11.754 1.000 63.860 0 148 LYS   AAA CE  1 ? 
ATOM   967  N  NZ  . LYS   A 1 135 ? -29.402 -36.423 -12.954 1.000 63.489 0 148 LYS   AAA NZ  1 ? 
ATOM   968  N  N   . PRO   A 1 136 ? -24.814 -38.519 -7.671  1.000 40.510 0 150 PRO   AAA N   1 ? 
ATOM   969  C  CA  . PRO   A 1 136 ? -23.470 -38.627 -7.106  1.000 44.940 0 150 PRO   AAA CA  1 ? 
ATOM   970  C  C   . PRO   A 1 136 ? -22.457 -37.655 -7.733  1.000 37.923 0 150 PRO   AAA C   1 ? 
ATOM   971  O  O   . PRO   A 1 136 ? -22.718 -37.015 -8.757  1.000 33.146 0 150 PRO   AAA O   1 ? 
ATOM   972  C  CB  . PRO   A 1 136 ? -23.123 -40.099 -7.387  1.000 45.232 0 150 PRO   AAA CB  1 ? 
ATOM   973  C  CG  . PRO   A 1 136 ? -23.879 -40.423 -8.648  1.000 48.758 0 150 PRO   AAA CG  1 ? 
ATOM   974  C  CD  . PRO   A 1 136 ? -25.185 -39.676 -8.503  1.000 47.035 0 150 PRO   AAA CD  1 ? 
ATOM   975  N  N   . GLY   A 1 137 ? -21.314 -37.506 -7.057  1.000 37.099 0 151 GLY   AAA N   1 ? 
ATOM   976  C  CA  . GLY   A 1 137 ? -20.188 -36.760 -7.601  1.000 33.862 0 151 GLY   AAA CA  1 ? 
ATOM   977  C  C   . GLY   A 1 137 ? -19.721 -37.361 -8.918  1.000 34.823 0 151 GLY   AAA C   1 ? 
ATOM   978  O  O   . GLY   A 1 137 ? -19.810 -38.573 -9.112  1.000 37.157 0 151 GLY   AAA O   1 ? 
ATOM   979  N  N   . SER   A 1 138 ? -19.231 -36.496 -9.807  1.000 33.625 0 152 SER   AAA N   1 ? 
ATOM   980  C  CA  . SER   A 1 138 ? -18.815 -36.860 -11.147 1.000 34.780 0 152 SER   AAA CA  1 ? 
ATOM   981  C  C   . SER   A 1 138 ? -17.509 -37.638 -11.065 1.000 38.594 0 152 SER   AAA C   1 ? 
ATOM   982  O  O   . SER   A 1 138 ? -16.619 -37.261 -10.311 1.000 38.807 0 152 SER   AAA O   1 ? 
ATOM   983  C  CB  . SER   A 1 138 ? -18.667 -35.607 -12.006 1.000 32.730 0 152 SER   AAA CB  1 ? 
ATOM   984  O  OG  . SER   A 1 138 ? -18.349 -35.944 -13.360 1.000 31.351 0 152 SER   AAA OG  1 ? 
ATOM   985  N  N   . ASP   A 1 139 ? -17.396 -38.703 -11.864 1.000 31.720 0 153 ASP   AAA N   1 ? 
ATOM   986  C  CA  . ASP   A 1 139 ? -16.134 -39.387 -12.031 1.000 35.723 0 153 ASP   AAA CA  1 ? 
ATOM   987  C  C   . ASP   A 1 139 ? -15.131 -38.478 -12.736 1.000 30.822 0 153 ASP   AAA C   1 ? 
ATOM   988  O  O   . ASP   A 1 139 ? -13.943 -38.554 -12.453 1.000 30.398 0 153 ASP   AAA O   1 ? 
ATOM   989  C  CB  . ASP   A 1 139 ? -16.265 -40.600 -12.953 1.000 37.723 0 153 ASP   AAA CB  1 ? 
ATOM   990  C  CG  . ASP   A 1 139 ? -16.970 -41.816 -12.396 1.000 45.182 0 153 ASP   AAA CG  1 ? 
ATOM   991  O  OD1 . ASP   A 1 139 ? -17.208 -41.864 -11.175 1.000 49.014 0 153 ASP   AAA OD1 1 ? 
ATOM   992  O  OD2 . ASP   A 1 139 ? -17.249 -42.714 -13.215 1.000 43.150 0 153 ASP   AAA OD2 1 ? 
ATOM   993  N  N   . THR   A 1 140 ? -15.630 -37.625 -13.646 1.000 31.291 0 154 THR   AAA N   1 ? 
ATOM   994  C  CA  . THR   A 1 140 ? -14.757 -36.840 -14.521 1.000 30.675 0 154 THR   AAA CA  1 ? 
ATOM   995  C  C   . THR   A 1 140 ? -14.881 -35.353 -14.205 1.000 29.588 0 154 THR   AAA C   1 ? 
ATOM   996  O  O   . THR   A 1 140 ? -15.926 -34.894 -13.729 1.000 28.488 0 154 THR   AAA O   1 ? 
ATOM   997  C  CB  . THR   A 1 140 ? -15.107 -37.064 -15.998 1.000 33.880 0 154 THR   AAA CB  1 ? 
ATOM   998  O  OG1 . THR   A 1 140 ? -16.495 -36.783 -16.161 1.000 33.007 0 154 THR   AAA OG1 1 ? 
ATOM   999  C  CG2 . THR   A 1 140 ? -14.808 -38.461 -16.501 1.000 32.725 0 154 THR   AAA CG2 1 ? 
ATOM   1000 N  N   . LEU   A 1 141 ? -13.820 -34.593 -14.499 1.000 27.522 0 155 LEU   AAA N   1 ? 
ATOM   1001 C  CA  . LEU   A 1 141 ? -13.869 -33.149 -14.350 1.000 25.858 0 155 LEU   AAA CA  1 ? 
ATOM   1002 C  C   . LEU   A 1 141 ? -14.856 -32.558 -15.353 1.000 27.830 0 155 LEU   AAA C   1 ? 
ATOM   1003 O  O   . LEU   A 1 141 ? -14.759 -32.810 -16.566 1.000 29.930 0 155 LEU   AAA O   1 ? 
ATOM   1004 C  CB  . LEU   A 1 141 ? -12.476 -32.566 -14.554 1.000 27.293 0 155 LEU   AAA CB  1 ? 
ATOM   1005 C  CG  . LEU   A 1 141 ? -12.314 -31.069 -14.294 1.000 27.080 0 155 LEU   AAA CG  1 ? 
ATOM   1006 C  CD1 . LEU   A 1 141 ? -12.395 -30.746 -12.813 1.000 28.030 0 155 LEU   AAA CD1 1 ? 
ATOM   1007 C  CD2 . LEU   A 1 141 ? -10.987 -30.597 -14.810 1.000 28.095 0 155 LEU   AAA CD2 1 ? 
ATOM   1008 N  N   . GLN   A 1 142 ? -15.780 -31.753 -14.810 1.000 26.766 0 156 GLN   AAA N   1 ? 
ATOM   1009 C  CA  . GLN   A 1 142 ? -16.839 -31.102 -15.560 1.000 27.448 0 156 GLN   AAA CA  1 ? 
ATOM   1010 C  C   . GLN   A 1 142 ? -16.606 -29.604 -15.507 1.000 27.387 0 156 GLN   AAA C   1 ? 
ATOM   1011 O  O   . GLN   A 1 142 ? -15.972 -29.112 -14.556 1.000 26.050 0 156 GLN   AAA O   1 ? 
ATOM   1012 C  CB  . GLN   A 1 142 ? -18.207 -31.410 -14.947 1.000 27.851 0 156 GLN   AAA CB  1 ? 
ATOM   1013 C  CG  . GLN   A 1 142 ? -18.553 -32.895 -14.866 1.000 28.130 0 156 GLN   AAA CG  1 ? 
ATOM   1014 C  CD  . GLN   A 1 142 ? -19.166 -33.382 -16.162 1.000 33.209 0 156 GLN   AAA CD  1 ? 
ATOM   1015 O  OE1 . GLN   A 1 142 ? -20.132 -32.817 -16.667 1.000 32.464 0 156 GLN   AAA OE1 1 ? 
ATOM   1016 N  NE2 . GLN   A 1 142 ? -18.628 -34.461 -16.709 1.000 36.412 0 156 GLN   AAA NE2 1 ? 
ATOM   1017 N  N   . GLU   A 1 143 ? -17.159 -28.871 -16.488 1.000 27.101 0 157 GLU   AAA N   1 ? 
ATOM   1018 C  CA  . GLU   A 1 143 ? -17.073 -27.421 -16.475 1.000 28.751 0 157 GLU   AAA CA  1 ? 
ATOM   1019 C  C   . GLU   A 1 143 ? -18.380 -26.793 -16.944 1.000 27.785 0 157 GLU   AAA C   1 ? 
ATOM   1020 O  O   . GLU   A 1 143 ? -19.144 -27.403 -17.685 1.000 30.075 0 157 GLU   AAA O   1 ? 
ATOM   1021 C  CB  . GLU   A 1 143 ? -15.858 -26.877 -17.226 1.000 31.696 0 157 GLU   AAA CB  1 ? 
ATOM   1022 C  CG  . GLU   A 1 143 ? -15.716 -27.238 -18.697 1.000 36.399 0 157 GLU   AAA CG  1 ? 
ATOM   1023 C  CD  . GLU   A 1 143 ? -14.419 -26.624 -19.248 1.000 46.171 0 157 GLU   AAA CD  1 ? 
ATOM   1024 O  OE1 . GLU   A 1 143 ? -14.539 -25.548 -19.858 1.000 55.272 0 157 GLU   AAA OE1 1 ? 
ATOM   1025 O  OE2 . GLU   A 1 143 ? -13.268 -27.106 -18.913 1.000 39.352 0 157 GLU   AAA OE2 1 ? 
ATOM   1026 N  N   . VAL   A 1 144 ? -18.639 -25.577 -16.456 1.000 28.393 0 158 VAL   AAA N   1 ? 
ATOM   1027 C  CA  . VAL   A 1 144 ? -19.848 -24.843 -16.824 1.000 28.659 0 158 VAL   AAA CA  1 ? 
ATOM   1028 C  C   . VAL   A 1 144 ? -19.531 -23.348 -16.918 1.000 31.720 0 158 VAL   AAA C   1 ? 
ATOM   1029 O  O   . VAL   A 1 144 ? -18.690 -22.845 -16.177 1.000 30.706 0 158 VAL   AAA O   1 ? 
ATOM   1030 C  CB  . VAL   A 1 144 ? -20.997 -25.159 -15.856 1.000 30.685 0 158 VAL   AAA CB  1 ? 
ATOM   1031 C  CG1 . VAL   A 1 144 ? -20.884 -24.434 -14.514 1.000 29.564 0 158 VAL   AAA CG1 1 ? 
ATOM   1032 C  CG2 . VAL   A 1 144 ? -22.342 -24.875 -16.504 1.000 34.470 0 158 VAL   AAA CG2 1 ? 
ATOM   1033 N  N   . LYS   A 1 145 ? -20.196 -22.652 -17.856 1.000 28.669 0 159 LYS   AAA N   1 ? 
ATOM   1034 C  CA  . LYS   A 1 145 ? -20.105 -21.209 -17.998 1.000 31.978 0 159 LYS   AAA CA  1 ? 
ATOM   1035 C  C   . LYS   A 1 145 ? -21.264 -20.583 -17.227 1.000 34.954 0 159 LYS   AAA C   1 ? 
ATOM   1036 O  O   . LYS   A 1 145 ? -22.396 -21.017 -17.391 1.000 32.683 0 159 LYS   AAA O   1 ? 
ATOM   1037 C  CB  . LYS   A 1 145 ? -20.190 -20.748 -19.461 1.000 40.157 0 159 LYS   AAA CB  1 ? 
ATOM   1038 C  CG  . LYS   A 1 145 ? -19.118 -21.307 -20.390 1.000 52.533 0 159 LYS   AAA CG  1 ? 
ATOM   1039 C  CD  . LYS   A 1 145 ? -19.433 -21.147 -21.884 1.000 67.548 0 159 LYS   AAA CD  1 ? 
ATOM   1040 C  CE  . LYS   A 1 145 ? -20.652 -21.931 -22.338 1.000 73.606 0 159 LYS   AAA CE  1 ? 
ATOM   1041 N  NZ  . LYS   A 1 145 ? -20.727 -22.041 -23.815 1.000 79.667 0 159 LYS   AAA NZ  1 ? 
ATOM   1042 N  N   . LEU   A 1 146 ? -20.954 -19.607 -16.358 1.000 32.493 0 160 LEU   AAA N   1 ? 
ATOM   1043 C  CA  . LEU   A 1 146 ? -21.950 -18.973 -15.495 1.000 31.527 0 160 LEU   AAA CA  1 ? 
ATOM   1044 C  C   . LEU   A 1 146 ? -21.815 -17.462 -15.633 1.000 31.762 0 160 LEU   AAA C   1 ? 
ATOM   1045 O  O   . LEU   A 1 146 ? -20.735 -16.950 -15.879 1.000 31.933 0 160 LEU   AAA O   1 ? 
ATOM   1046 C  CB  . LEU   A 1 146 ? -21.739 -19.366 -14.026 1.000 28.977 0 160 LEU   AAA CB  1 ? 
ATOM   1047 C  CG  . LEU   A 1 146 ? -21.788 -20.863 -13.729 1.000 29.464 0 160 LEU   AAA CG  1 ? 
ATOM   1048 C  CD1 . LEU   A 1 146 ? -21.416 -21.155 -12.295 1.000 29.701 0 160 LEU   AAA CD1 1 ? 
ATOM   1049 C  CD2 . LEU   A 1 146 ? -23.164 -21.425 -14.062 1.000 31.130 0 160 LEU   AAA CD2 1 ? 
ATOM   1050 N  N   . ARG   A 1 147 ? -22.919 -16.757 -15.416 1.000 33.046 0 161 ARG   AAA N   1 ? 
ATOM   1051 C  CA  . ARG   A 1 147 ? -22.930 -15.313 -15.528 1.000 31.406 0 161 ARG   AAA CA  1 ? 
ATOM   1052 C  C   . ARG   A 1 147 ? -22.586 -14.701 -14.168 1.000 30.354 0 161 ARG   AAA C   1 ? 
ATOM   1053 O  O   . ARG   A 1 147 ? -23.202 -15.043 -13.150 1.000 27.780 0 161 ARG   AAA O   1 ? 
ATOM   1054 C  CB  . ARG   A 1 147 ? -24.311 -14.884 -16.019 1.000 34.638 0 161 ARG   AAA CB  1 ? 
ATOM   1055 C  CG  . ARG   A 1 147 ? -24.470 -13.390 -16.280 1.000 38.241 0 161 ARG   AAA CG  1 ? 
ATOM   1056 C  CD  . ARG   A 1 147 ? -25.765 -13.150 -17.055 1.000 45.003 0 161 ARG   AAA CD  1 ? 
ATOM   1057 N  NE  . ARG   A 1 147 ? -26.397 -11.856 -16.858 1.000 50.185 0 161 ARG   AAA NE  1 ? 
ATOM   1058 C  CZ  . ARG   A 1 147 ? -25.867 -10.684 -17.167 1.000 63.413 0 161 ARG   AAA CZ  1 ? 
ATOM   1059 N  NH1 . ARG   A 1 147 ? -24.756 -10.619 -17.884 1.000 72.996 0 161 ARG   AAA NH1 1 ? 
ATOM   1060 N  NH2 . ARG   A 1 147 ? -26.473 -9.571  -16.789 1.000 61.878 0 161 ARG   AAA NH2 1 ? 
ATOM   1061 N  N   . LEU   A 1 148 ? -21.713 -13.690 -14.180 1.000 27.137 0 162 LEU   AAA N   1 ? 
ATOM   1062 C  CA  . LEU   A 1 148 ? -21.513 -12.849 -13.004 1.000 31.825 0 162 LEU   AAA CA  1 ? 
ATOM   1063 C  C   . LEU   A 1 148 ? -22.718 -11.911 -12.844 1.000 33.512 0 162 LEU   AAA C   1 ? 
ATOM   1064 O  O   . LEU   A 1 148 ? -23.051 -11.162 -13.772 1.000 30.864 0 162 LEU   AAA O   1 ? 
ATOM   1065 C  CB  . LEU   A 1 148 ? -20.229 -12.041 -13.229 1.000 37.733 0 162 LEU   AAA CB  1 ? 
ATOM   1066 C  CG  . LEU   A 1 148 ? -19.227 -11.931 -12.091 1.000 46.524 0 162 LEU   AAA CG  1 ? 
ATOM   1067 C  CD1 . LEU   A 1 148 ? -18.820 -13.315 -11.587 1.000 47.414 0 162 LEU   AAA CD1 1 ? 
ATOM   1068 C  CD2 . LEU   A 1 148 ? -17.991 -11.185 -12.584 1.000 46.077 0 162 LEU   AAA CD2 1 ? 
ATOM   1069 N  N   . MET   A 1 149 ? -23.346 -11.930 -11.660 1.000 28.124 0 163 MET   AAA N   1 ? 
ATOM   1070 C  CA  . MET   A 1 149 ? -24.553 -11.170 -11.412 1.000 28.859 0 163 MET   AAA CA  1 ? 
ATOM   1071 C  C   . MET   A 1 149 ? -24.252 -9.921  -10.583 1.000 27.882 0 163 MET   AAA C   1 ? 
ATOM   1072 O  O   . MET   A 1 149 ? -23.303 -9.857  -9.807  1.000 27.203 0 163 MET   AAA O   1 ? 
ATOM   1073 C  CB  . MET   A 1 149 ? -25.587 -12.035 -10.672 1.000 26.664 0 163 MET   AAA CB  1 ? 
ATOM   1074 C  CG  . MET   A 1 149 ? -25.835 -13.388 -11.328 1.000 28.346 0 163 MET   AAA CG  1 ? 
ATOM   1075 S  SD  . MET   A 1 149 ? -26.628 -13.306 -12.927 1.000 32.335 0 163 MET   AAA SD  1 ? 
ATOM   1076 C  CE  . MET   A 1 149 ? -28.166 -12.513 -12.469 1.000 33.438 0 163 MET   AAA CE  1 ? 
ATOM   1077 N  N   . ASP   A 1 150 ? -25.134 -8.920  -10.720 1.000 28.045 0 164 ASP   AAA N   1 ? 
ATOM   1078 C  CA  . ASP   A 1 150 ? -25.184 -7.800  -9.804  1.000 29.272 0 164 ASP   AAA CA  1 ? 
ATOM   1079 C  C   . ASP   A 1 150 ? -25.417 -8.312  -8.388  1.000 29.751 0 164 ASP   AAA C   1 ? 
ATOM   1080 O  O   . ASP   A 1 150 ? -26.098 -9.317  -8.196  1.000 29.096 0 164 ASP   AAA O   1 ? 
ATOM   1081 C  CB  . ASP   A 1 150 ? -26.302 -6.826  -10.194 1.000 30.883 0 164 ASP   AAA CB  1 ? 
ATOM   1082 C  CG  . ASP   A 1 150 ? -26.031 -6.220  -11.562 1.000 36.499 0 164 ASP   AAA CG  1 ? 
ATOM   1083 O  OD1 . ASP   A 1 150 ? -24.956 -5.712  -11.720 1.000 37.578 0 164 ASP   AAA OD1 1 ? 
ATOM   1084 O  OD2 . ASP   A 1 150 ? -26.883 -6.309  -12.434 1.000 42.484 0 164 ASP   AAA OD2 1 ? 
ATOM   1085 N  N   . PRO   A 1 151 ? -24.842 -7.689  -7.337  1.000 27.798 0 165 PRO   AAA N   1 ? 
ATOM   1086 C  CA  . PRO   A 1 151 ? -24.927 -8.273  -6.001  1.000 26.135 0 165 PRO   AAA CA  1 ? 
ATOM   1087 C  C   . PRO   A 1 151 ? -26.355 -8.409  -5.482  1.000 25.853 0 165 PRO   AAA C   1 ? 
ATOM   1088 O  O   . PRO   A 1 151 ? -26.633 -9.279  -4.668  1.000 24.974 0 165 PRO   AAA O   1 ? 
ATOM   1089 C  CB  . PRO   A 1 151 ? -24.126 -7.316  -5.106  1.000 26.087 0 165 PRO   AAA CB  1 ? 
ATOM   1090 C  CG  . PRO   A 1 151 ? -24.041 -6.038  -5.911  1.000 28.517 0 165 PRO   AAA CG  1 ? 
ATOM   1091 C  CD  . PRO   A 1 151 ? -24.047 -6.458  -7.365  1.000 30.851 0 165 PRO   AAA CD  1 ? 
ATOM   1092 N  N   . GLN   A 1 152 ? -27.268 -7.567  -5.965  1.000 25.382 0 166 GLN   AAA N   1 ? 
ATOM   1093 C  CA  . GLN   A 1 152 ? -28.679 -7.657  -5.580  1.000 28.019 0 166 GLN   AAA CA  1 ? 
ATOM   1094 C  C   . GLN   A 1 152 ? -29.258 -9.047  -5.863  1.000 26.214 0 166 GLN   AAA C   1 ? 
ATOM   1095 O  O   . GLN   A 1 152 ? -30.157 -9.519  -5.163  1.000 25.845 0 166 GLN   AAA O   1 ? 
ATOM   1096 C  CB  . GLN   A 1 152 ? -29.617 -6.737  -6.369  1.000 30.998 0 166 GLN   AAA CB  1 ? 
ATOM   1097 C  CG  . GLN   A 1 152 ? -29.277 -5.287  -6.354  1.000 42.674 0 166 GLN   AAA CG  1 ? 
ATOM   1098 C  CD  . GLN   A 1 152 ? -28.479 -4.918  -7.580  1.000 43.908 0 166 GLN   AAA CD  1 ? 
ATOM   1099 O  OE1 . GLN   A 1 152 ? -29.001 -4.430  -8.588  1.000 47.340 0 166 GLN   AAA OE1 1 ? 
ATOM   1100 N  NE2 . GLN   A 1 152 ? -27.188 -5.013  -7.417  1.000 36.023 0 166 GLN   AAA NE2 1 ? 
ATOM   1101 N  N   . ALA   A 1 153 ? -28.713 -9.727  -6.864  1.000 25.419 0 167 ALA   AAA N   1 ? 
ATOM   1102 C  CA  . ALA   A 1 153 ? -29.177 -11.064 -7.216  1.000 25.548 0 167 ALA   AAA CA  1 ? 
ATOM   1103 C  C   . ALA   A 1 153 ? -28.944 -12.043 -6.066  1.000 23.176 0 167 ALA   AAA C   1 ? 
ATOM   1104 O  O   . ALA   A 1 153 ? -29.567 -13.107 -6.071  1.000 25.187 0 167 ALA   AAA O   1 ? 
ATOM   1105 C  CB  . ALA   A 1 153 ? -28.472 -11.578 -8.447  1.000 24.974 0 167 ALA   AAA CB  1 ? 
ATOM   1106 N  N   . CYS   A 1 154 ? -27.995 -11.726 -5.149  1.000 24.366 0 168 CYS   AAA N   1 ? 
ATOM   1107 C  CA  . CYS   A 1 154 ? -27.623 -12.621 -4.055  1.000 23.274 0 168 CYS   AAA CA  1 ? 
ATOM   1108 C  C   . CYS   A 1 154 ? -28.108 -12.111 -2.692  1.000 23.584 0 168 CYS   AAA C   1 ? 
ATOM   1109 O  O   . CYS   A 1 154 ? -27.660 -12.603 -1.651  1.000 23.663 0 168 CYS   AAA O   1 ? 
ATOM   1110 C  CB  . CYS   A 1 154 ? -26.105 -12.841 -3.989  1.000 23.276 0 168 CYS   AAA CB  1 ? 
ATOM   1111 S  SG  . CYS   A 1 154 ? -25.519 -14.083 -5.175  1.000 24.542 0 168 CYS   AAA SG  1 ? 
ATOM   1112 N  N   . SER   A 1 155 ? -29.062 -11.186 -2.691  1.000 23.887 0 169 SER   AAA N   1 ? 
ATOM   1113 C  CA  . SER   A 1 155 ? -29.508 -10.527 -1.470  1.000 24.769 0 169 SER   AAA CA  1 ? 
ATOM   1114 C  C   . SER   A 1 155 ? -30.104 -11.501 -0.457  1.000 24.579 0 169 SER   AAA C   1 ? 
ATOM   1115 O  O   . SER   A 1 155 ? -29.961 -11.296 0.737   1.000 23.953 0 169 SER   AAA O   1 ? 
ATOM   1116 C  CB  . SER   A 1 155 ? -30.515 -9.429  -1.807  1.000 26.401 0 169 SER   AAA CB  1 ? 
ATOM   1117 O  OG  . SER   A 1 155 ? -30.949 -8.791  -0.607  1.000 26.735 0 169 SER   AAA OG  1 ? 
ATOM   1118 N  N   . HIS   A 1 156 ? -30.774 -12.550 -0.964  1.000 24.045 0 172 HIS   AAA N   1 ? 
ATOM   1119 C  CA  . HIS   A 1 156 ? -31.425 -13.554 -0.146  1.000 24.282 0 172 HIS   AAA CA  1 ? 
ATOM   1120 C  C   . HIS   A 1 156 ? -30.442 -14.345 0.718   1.000 26.022 0 172 HIS   AAA C   1 ? 
ATOM   1121 O  O   . HIS   A 1 156 ? -30.862 -14.985 1.675   1.000 25.295 0 172 HIS   AAA O   1 ? 
ATOM   1122 C  CB  . HIS   A 1 156 ? -32.269 -14.488 -1.009  1.000 24.027 0 172 HIS   AAA CB  1 ? 
ATOM   1123 C  CG  . HIS   A 1 156 ? -31.545 -15.201 -2.137  1.000 23.000 0 172 HIS   AAA CG  1 ? 
ATOM   1124 N  ND1 . HIS   A 1 156 ? -31.124 -14.545 -3.282  1.000 23.348 0 172 HIS   AAA ND1 1 ? 
ATOM   1125 C  CD2 . HIS   A 1 156 ? -31.290 -16.504 -2.344  1.000 24.287 0 172 HIS   AAA CD2 1 ? 
ATOM   1126 C  CE1 . HIS   A 1 156 ? -30.561 -15.412 -4.103  1.000 22.879 0 172 HIS   AAA CE1 1 ? 
ATOM   1127 N  NE2 . HIS   A 1 156 ? -30.646 -16.611 -3.561  1.000 23.029 0 172 HIS   AAA NE2 1 ? 
ATOM   1128 N  N   . PHE   A 1 157 ? -29.163 -14.410 0.312   1.000 22.934 0 173 PHE   AAA N   1 ? 
ATOM   1129 C  CA  . PHE   A 1 157 ? -28.096 -14.830 1.194   1.000 23.221 0 173 PHE   AAA CA  1 ? 
ATOM   1130 C  C   . PHE   A 1 157 ? -27.812 -13.651 2.129   1.000 26.379 0 173 PHE   AAA C   1 ? 
ATOM   1131 O  O   . PHE   A 1 157 ? -27.137 -12.702 1.748   1.000 26.348 0 173 PHE   AAA O   1 ? 
ATOM   1132 C  CB  . PHE   A 1 157 ? -26.879 -15.235 0.361   1.000 23.679 0 173 PHE   AAA CB  1 ? 
ATOM   1133 C  CG  . PHE   A 1 157 ? -27.138 -16.361 -0.616  1.000 21.879 0 173 PHE   AAA CG  1 ? 
ATOM   1134 C  CD1 . PHE   A 1 157 ? -27.484 -17.624 -0.164  1.000 24.469 0 173 PHE   AAA CD1 1 ? 
ATOM   1135 C  CD2 . PHE   A 1 157 ? -27.053 -16.166 -1.982  1.000 22.292 0 173 PHE   AAA CD2 1 ? 
ATOM   1136 C  CE1 . PHE   A 1 157 ? -27.716 -18.664 -1.047  1.000 24.021 0 173 PHE   AAA CE1 1 ? 
ATOM   1137 C  CE2 . PHE   A 1 157 ? -27.287 -17.207 -2.870  1.000 21.997 0 173 PHE   AAA CE2 1 ? 
ATOM   1138 C  CZ  . PHE   A 1 157 ? -27.606 -18.458 -2.394  1.000 24.113 0 173 PHE   AAA CZ  1 ? 
ATOM   1139 N  N   . ARG   A 1 158 ? -28.395 -13.679 3.332   1.000 26.453 0 174 ARG   AAA N   1 ? 
ATOM   1140 C  CA  . ARG   A 1 158 ? -28.495 -12.462 4.133   1.000 29.704 0 174 ARG   AAA CA  1 ? 
ATOM   1141 C  C   . ARG   A 1 158 ? -27.123 -11.962 4.585   1.000 27.927 0 174 ARG   AAA C   1 ? 
ATOM   1142 O  O   . ARG   A 1 158 ? -26.969 -10.771 4.885   1.000 27.116 0 174 ARG   AAA O   1 ? 
ATOM   1143 C  CB  . ARG   A 1 158 ? -29.417 -12.682 5.333   1.000 30.338 0 174 ARG   AAA CB  1 ? 
ATOM   1144 C  CG  . ARG   A 1 158 ? -30.805 -13.172 4.935   1.000 32.764 0 174 ARG   AAA CG  1 ? 
ATOM   1145 C  CD  . ARG   A 1 158 ? -31.553 -12.321 3.932   1.000 33.420 0 174 ARG   AAA CD  1 ? 
ATOM   1146 N  NE  . ARG   A 1 158 ? -31.625 -10.901 4.286   1.000 32.649 0 174 ARG   AAA NE  1 ? 
ATOM   1147 C  CZ  . ARG   A 1 158 ? -32.204 -9.980  3.526   1.000 33.778 0 174 ARG   AAA CZ  1 ? 
ATOM   1148 N  NH1 . ARG   A 1 158 ? -32.114 -8.698  3.855   1.000 31.320 0 174 ARG   AAA NH1 1 ? 
ATOM   1149 N  NH2 . ARG   A 1 158 ? -32.871 -10.343 2.437   1.000 35.917 0 174 ARG   AAA NH2 1 ? 
ATOM   1150 N  N   . ASP   A 1 159 ? -26.121 -12.849 4.580   1.000 27.330 0 175 ASP   AAA N   1 ? 
ATOM   1151 C  CA  . ASP   A 1 159 ? -24.770 -12.462 4.983   1.000 28.885 0 175 ASP   AAA CA  1 ? 
ATOM   1152 C  C   . ASP   A 1 159 ? -23.838 -12.328 3.782   1.000 27.453 0 175 ASP   AAA C   1 ? 
ATOM   1153 O  O   . ASP   A 1 159 ? -22.640 -12.167 3.976   1.000 27.132 0 175 ASP   AAA O   1 ? 
ATOM   1154 C  CB  . ASP   A 1 159 ? -24.190 -13.443 6.011   1.000 29.969 0 175 ASP   AAA CB  1 ? 
ATOM   1155 C  CG  . ASP   A 1 159 ? -24.930 -13.373 7.331   1.000 32.670 0 175 ASP   AAA CG  1 ? 
ATOM   1156 O  OD1 . ASP   A 1 159 ? -25.001 -12.276 7.895   1.000 31.693 0 175 ASP   AAA OD1 1 ? 
ATOM   1157 O  OD2 . ASP   A 1 159 ? -25.456 -14.397 7.741   1.000 33.533 0 175 ASP   AAA OD2 1 ? 
ATOM   1158 N  N   . PHE   A 1 160 ? -24.382 -12.277 2.548   1.000 25.903 0 176 PHE   AAA N   1 ? 
ATOM   1159 C  CA  . PHE   A 1 160 ? -23.569 -11.975 1.368   1.000 24.729 0 176 PHE   AAA CA  1 ? 
ATOM   1160 C  C   . PHE   A 1 160 ? -23.072 -10.542 1.423   1.000 27.353 0 176 PHE   AAA C   1 ? 
ATOM   1161 O  O   . PHE   A 1 160 ? -23.812 -9.648  1.863   1.000 26.340 0 176 PHE   AAA O   1 ? 
ATOM   1162 C  CB  . PHE   A 1 160 ? -24.410 -12.197 0.097   1.000 25.274 0 176 PHE   AAA CB  1 ? 
ATOM   1163 C  CG  . PHE   A 1 160 ? -23.805 -11.705 -1.183  1.000 25.221 0 176 PHE   AAA CG  1 ? 
ATOM   1164 C  CD1 . PHE   A 1 160 ? -22.940 -12.508 -1.888  1.000 28.088 0 176 PHE   AAA CD1 1 ? 
ATOM   1165 C  CD2 . PHE   A 1 160 ? -24.111 -10.455 -1.692  1.000 29.206 0 176 PHE   AAA CD2 1 ? 
ATOM   1166 C  CE1 . PHE   A 1 160 ? -22.335 -12.059 -3.046  1.000 27.511 0 176 PHE   AAA CE1 1 ? 
ATOM   1167 C  CE2 . PHE   A 1 160 ? -23.516 -10.021 -2.862  1.000 27.319 0 176 PHE   AAA CE2 1 ? 
ATOM   1168 C  CZ  . PHE   A 1 160 ? -22.632 -10.824 -3.529  1.000 27.627 0 176 PHE   AAA CZ  1 ? 
ATOM   1169 N  N   . ASP   A 1 161 ? -21.833 -10.323 0.969   1.000 26.101 0 177 ASP   AAA N   1 ? 
ATOM   1170 C  CA  . ASP   A 1 161 ? -21.252 -8.986  0.949   1.000 29.285 0 177 ASP   AAA CA  1 ? 
ATOM   1171 C  C   . ASP   A 1 161 ? -20.546 -8.808  -0.384  1.000 26.945 0 177 ASP   AAA C   1 ? 
ATOM   1172 O  O   . ASP   A 1 161 ? -19.575 -9.527  -0.683  1.000 26.279 0 177 ASP   AAA O   1 ? 
ATOM   1173 C  CB  . ASP   A 1 161 ? -20.346 -8.819  2.183   1.000 32.607 0 177 ASP   AAA CB  1 ? 
ATOM   1174 C  CG  . ASP   A 1 161 ? -19.545 -7.523  2.322   1.000 37.523 0 177 ASP   AAA CG  1 ? 
ATOM   1175 O  OD1 . ASP   A 1 161 ? -19.336 -6.799  1.330   1.000 32.459 0 177 ASP   AAA OD1 1 ? 
ATOM   1176 O  OD2 . ASP   A 1 161 ? -19.075 -7.273  3.460   1.000 41.273 0 177 ASP   AAA OD2 1 ? 
ATOM   1177 N  N   . HIS   A 1 162 A -20.967 -7.794  -1.138  1.000 26.603 0 177 HIS   AAA N   1 ? 
ATOM   1178 C  CA  . HIS   A 1 162 A -20.467 -7.589  -2.492  1.000 27.256 0 177 HIS   AAA CA  1 ? 
ATOM   1179 C  C   . HIS   A 1 162 A -18.969 -7.287  -2.497  1.000 28.417 0 177 HIS   AAA C   1 ? 
ATOM   1180 O  O   . HIS   A 1 162 A -18.303 -7.539  -3.489  1.000 27.190 0 177 HIS   AAA O   1 ? 
ATOM   1181 C  CB  . HIS   A 1 162 A -21.190 -6.401  -3.120  1.000 29.325 0 177 HIS   AAA CB  1 ? 
ATOM   1182 C  CG  . HIS   A 1 162 A -20.719 -5.905  -4.453  1.000 29.135 0 177 HIS   AAA CG  1 ? 
ATOM   1183 N  ND1 . HIS   A 1 162 A -20.604 -6.683  -5.586  1.000 28.422 0 177 HIS   AAA ND1 1 ? 
ATOM   1184 C  CD2 . HIS   A 1 162 A -20.432 -4.632  -4.831  1.000 32.772 0 177 HIS   AAA CD2 1 ? 
ATOM   1185 C  CE1 . HIS   A 1 162 A -20.240 -5.912  -6.606  1.000 30.848 0 177 HIS   AAA CE1 1 ? 
ATOM   1186 N  NE2 . HIS   A 1 162 A -20.130 -4.655  -6.182  1.000 30.212 0 177 HIS   AAA NE2 1 ? 
ATOM   1187 N  N   . ASN   A 1 163 ? -18.448 -6.675  -1.435  1.000 30.364 0 178 ASN   AAA N   1 ? 
ATOM   1188 C  CA  . ASN   A 1 163 ? -17.007 -6.418  -1.395  1.000 33.257 0 178 ASN   AAA CA  1 ? 
ATOM   1189 C  C   . ASN   A 1 163 ? -16.181 -7.694  -1.209  1.000 31.764 0 178 ASN   AAA C   1 ? 
ATOM   1190 O  O   . ASN   A 1 163 ? -15.032 -7.721  -1.646  1.000 33.030 0 178 ASN   AAA O   1 ? 
ATOM   1191 C  CB  . ASN   A 1 163 ? -16.622 -5.438  -0.302  1.000 36.275 0 178 ASN   AAA CB  1 ? 
ATOM   1192 C  CG  . ASN   A 1 163 ? -17.304 -4.110  -0.522  1.000 47.874 0 178 ASN   AAA CG  1 ? 
ATOM   1193 O  OD1 . ASN   A 1 163 ? -18.119 -3.701  0.298   1.000 62.034 0 178 ASN   AAA OD1 1 ? 
ATOM   1194 N  ND2 . ASN   A 1 163 ? -17.033 -3.481  -1.653  1.000 52.298 0 178 ASN   AAA ND2 1 ? 
ATOM   1195 N  N   . LEU   A 1 164 ? -16.749 -8.710  -0.547  1.000 26.111 0 179 LEU   AAA N   1 ? 
ATOM   1196 C  CA  . LEU   A 1 164 ? -16.014 -9.914  -0.188  1.000 29.548 0 179 LEU   AAA CA  1 ? 
ATOM   1197 C  C   . LEU   A 1 164 ? -16.245 -11.033 -1.196  1.000 29.690 0 179 LEU   AAA C   1 ? 
ATOM   1198 O  O   . LEU   A 1 164 ? -15.473 -11.986 -1.223  1.000 26.811 0 179 LEU   AAA O   1 ? 
ATOM   1199 C  CB  . LEU   A 1 164 ? -16.465 -10.388 1.195   1.000 29.656 0 179 LEU   AAA CB  1 ? 
ATOM   1200 C  CG  . LEU   A 1 164 ? -16.304 -9.383  2.346   1.000 33.794 0 179 LEU   AAA CG  1 ? 
ATOM   1201 C  CD1 . LEU   A 1 164 ? -16.685 -9.994  3.684   1.000 35.212 0 179 LEU   AAA CD1 1 ? 
ATOM   1202 C  CD2 . LEU   A 1 164 ? -14.897 -8.825  2.407   1.000 33.857 0 179 LEU   AAA CD2 1 ? 
ATOM   1203 N  N   . GLN   A 1 165 ? -17.381 -10.973 -1.909  1.000 25.371 0 180 GLN   AAA N   1 ? 
ATOM   1204 C  CA  . GLN   A 1 165 ? -17.912 -12.148 -2.592  1.000 25.142 0 180 GLN   AAA CA  1 ? 
ATOM   1205 C  C   . GLN   A 1 165 ? -18.484 -11.779 -3.955  1.000 25.903 0 180 GLN   AAA C   1 ? 
ATOM   1206 O  O   . GLN   A 1 165 ? -18.934 -10.649 -4.175  1.000 26.269 0 180 GLN   AAA O   1 ? 
ATOM   1207 C  CB  . GLN   A 1 165 ? -19.001 -12.818 -1.761  1.000 27.359 0 180 GLN   AAA CB  1 ? 
ATOM   1208 C  CG  . GLN   A 1 165 ? -18.518 -13.453 -0.477  1.000 23.311 0 180 GLN   AAA CG  1 ? 
ATOM   1209 C  CD  . GLN   A 1 165 ? -19.566 -13.529 0.604   1.000 25.064 0 180 GLN   AAA CD  1 ? 
ATOM   1210 O  OE1 . GLN   A 1 165 ? -20.362 -12.611 0.804   1.000 26.864 0 180 GLN   AAA OE1 1 ? 
ATOM   1211 N  NE2 . GLN   A 1 165 ? -19.574 -14.622 1.346   1.000 25.664 0 180 GLN   AAA NE2 1 ? 
ATOM   1212 N  N   . LEU   A 1 166 ? -18.425 -12.753 -4.872  1.000 25.203 0 181 LEU   AAA N   1 ? 
ATOM   1213 C  CA  . LEU   A 1 166 ? -19.079 -12.672 -6.170  1.000 24.579 0 181 LEU   AAA CA  1 ? 
ATOM   1214 C  C   . LEU   A 1 166 ? -20.404 -13.414 -6.110  1.000 24.316 0 181 LEU   AAA C   1 ? 
ATOM   1215 O  O   . LEU   A 1 166 ? -20.518 -14.415 -5.404  1.000 25.069 0 181 LEU   AAA O   1 ? 
ATOM   1216 C  CB  . LEU   A 1 166 ? -18.224 -13.370 -7.230  1.000 26.161 0 181 LEU   AAA CB  1 ? 
ATOM   1217 C  CG  . LEU   A 1 166 ? -16.776 -12.909 -7.316  1.000 30.293 0 181 LEU   AAA CG  1 ? 
ATOM   1218 C  CD1 . LEU   A 1 166 ? -16.027 -13.697 -8.392  1.000 29.656 0 181 LEU   AAA CD1 1 ? 
ATOM   1219 C  CD2 . LEU   A 1 166 ? -16.725 -11.434 -7.608  1.000 33.286 0 181 LEU   AAA CD2 1 ? 
ATOM   1220 N  N   . CYS   A 1 167 ? -21.346 -12.927 -6.921  1.000 23.958 0 182 CYS   AAA N   1 ? 
ATOM   1221 C  CA  . CYS   A 1 167 ? -22.658 -13.538 -7.092  1.000 24.964 0 182 CYS   AAA CA  1 ? 
ATOM   1222 C  C   . CYS   A 1 167 ? -22.709 -14.138 -8.491  1.000 23.919 0 182 CYS   AAA C   1 ? 
ATOM   1223 O  O   . CYS   A 1 167 ? -22.604 -13.402 -9.469  1.000 24.929 0 182 CYS   AAA O   1 ? 
ATOM   1224 C  CB  . CYS   A 1 167 ? -23.730 -12.472 -6.891  1.000 23.890 0 182 CYS   AAA CB  1 ? 
ATOM   1225 S  SG  . CYS   A 1 167 ? -25.426 -13.099 -6.925  1.000 25.161 0 182 CYS   AAA SG  1 ? 
ATOM   1226 N  N   . VAL   A 1 168 ? -22.907 -15.466 -8.593  1.000 24.292 0 183 VAL   AAA N   1 ? 
ATOM   1227 C  CA  . VAL   A 1 168 ? -22.553 -16.214 -9.788  1.000 23.250 0 183 VAL   AAA CA  1 ? 
ATOM   1228 C  C   . VAL   A 1 168 ? -23.673 -17.163 -10.174 1.000 25.553 0 183 VAL   AAA C   1 ? 
ATOM   1229 O  O   . VAL   A 1 168 ? -24.065 -18.065 -9.410  1.000 23.811 0 183 VAL   AAA O   1 ? 
ATOM   1230 C  CB  . VAL   A 1 168 ? -21.232 -16.982 -9.597  1.000 24.882 0 183 VAL   AAA CB  1 ? 
ATOM   1231 C  CG1 . VAL   A 1 168 ? -20.796 -17.681 -10.877 1.000 26.930 0 183 VAL   AAA CG1 1 ? 
ATOM   1232 C  CG2 . VAL   A 1 168 ? -20.145 -16.049 -9.081  1.000 26.129 0 183 VAL   AAA CG2 1 ? 
ATOM   1233 N  N   . GLY   A 1 169 ? -24.170 -16.960 -11.406 1.000 25.579 0 184 GLY   AAA N   1 ? 
ATOM   1234 C  CA  . GLY   A 1 169 ? -25.166 -17.839 -11.980 1.000 25.124 0 184 GLY   AAA CA  1 ? 
ATOM   1235 C  C   . GLY   A 1 169 ? -26.529 -17.179 -12.159 1.000 27.477 0 184 GLY   AAA C   1 ? 
ATOM   1236 O  O   . GLY   A 1 169 ? -27.174 -16.762 -11.195 1.000 26.769 0 184 GLY   AAA O   1 ? 
ATOM   1237 N  N   . ASN   A 1 170 ? -26.916 -17.047 -13.429 1.000 27.780 0 185 ASN   AAA N   1 ? 
ATOM   1238 C  CA  . ASN   A 1 170 ? -28.225 -16.562 -13.835 1.000 29.977 0 185 ASN   AAA CA  1 ? 
ATOM   1239 C  C   . ASN   A 1 170 ? -29.307 -17.435 -13.212 1.000 26.995 0 185 ASN   AAA C   1 ? 
ATOM   1240 O  O   . ASN   A 1 170 ? -29.372 -18.642 -13.442 1.000 29.975 0 185 ASN   AAA O   1 ? 
ATOM   1241 C  CB  . ASN   A 1 170 ? -28.363 -16.597 -15.367 1.000 31.235 0 185 ASN   AAA CB  1 ? 
ATOM   1242 C  CG  . ASN   A 1 170 ? -29.655 -15.993 -15.894 1.000 34.373 0 185 ASN   AAA CG  1 ? 
ATOM   1243 O  OD1 . ASN   A 1 170 ? -30.582 -15.678 -15.142 1.000 33.086 0 185 ASN   AAA OD1 1 ? 
ATOM   1244 N  ND2 . ASN   A 1 170 ? -29.706 -15.779 -17.202 1.000 35.412 0 185 ASN   AAA ND2 1 ? 
ATOM   1245 N  N   . PRO   A 1 171 A -30.205 -16.857 -12.395 1.000 30.762 0 185 PRO   AAA N   1 ? 
ATOM   1246 C  CA  . PRO   A 1 171 A -31.311 -17.635 -11.829 1.000 33.728 0 185 PRO   AAA CA  1 ? 
ATOM   1247 C  C   . PRO   A 1 171 A -32.299 -18.283 -12.806 1.000 36.599 0 185 PRO   AAA C   1 ? 
ATOM   1248 O  O   . PRO   A 1 171 A -32.978 -19.238 -12.435 1.000 35.994 0 185 PRO   AAA O   1 ? 
ATOM   1249 C  CB  . PRO   A 1 171 A -32.054 -16.631 -10.951 1.000 35.749 0 185 PRO   AAA CB  1 ? 
ATOM   1250 C  CG  . PRO   A 1 171 A -31.591 -15.278 -11.387 1.000 36.733 0 185 PRO   AAA CG  1 ? 
ATOM   1251 C  CD  . PRO   A 1 171 A -30.194 -15.449 -11.970 1.000 31.267 0 185 PRO   AAA CD  1 ? 
ATOM   1252 N  N   . ARG   A 1 172 B -32.312 -17.839 -14.075 1.000 37.939 0 185 ARG   AAA N   1 ? 
ATOM   1253 C  CA  . ARG   A 1 172 B -33.168 -18.431 -15.101 1.000 37.755 0 185 ARG   AAA CA  1 ? 
ATOM   1254 C  C   . ARG   A 1 172 B -32.567 -19.676 -15.738 1.000 40.600 0 185 ARG   AAA C   1 ? 
ATOM   1255 O  O   . ARG   A 1 172 B -33.145 -20.232 -16.672 1.000 42.942 0 185 ARG   AAA O   1 ? 
ATOM   1256 C  CB  . ARG   A 1 172 B -33.416 -17.418 -16.221 1.000 41.055 0 185 ARG   AAA CB  1 ? 
ATOM   1257 C  CG  . ARG   A 1 172 B -34.449 -16.360 -15.881 1.000 45.974 0 185 ARG   AAA CG  1 ? 
ATOM   1258 C  CD  . ARG   A 1 172 B -34.844 -15.539 -17.091 1.000 51.706 0 185 ARG   AAA CD  1 ? 
ATOM   1259 N  NE  . ARG   A 1 172 B -36.021 -15.984 -17.853 1.000 49.156 0 185 ARG   AAA NE  1 ? 
ATOM   1260 C  CZ  . ARG   A 1 172 B -36.049 -16.154 -19.163 1.000 47.140 0 185 ARG   AAA CZ  1 ? 
ATOM   1261 N  NH1 . ARG   A 1 172 B -34.932 -16.014 -19.856 1.000 54.596 0 185 ARG   AAA NH1 1 ? 
ATOM   1262 N  NH2 . ARG   A 1 172 B -37.173 -16.508 -19.782 1.000 44.919 0 185 ARG   AAA NH2 1 ? 
ATOM   1263 N  N   . LYS   A 1 173 ? -31.354 -20.072 -15.328 1.000 34.301 0 186 LYS   AAA N   1 ? 
ATOM   1264 C  CA  . LYS   A 1 173 ? -30.747 -21.268 -15.857 1.000 36.249 0 186 LYS   AAA CA  1 ? 
ATOM   1265 C  C   . LYS   A 1 173 ? -30.540 -22.209 -14.678 1.000 38.523 0 186 LYS   AAA C   1 ? 
ATOM   1266 O  O   . LYS   A 1 173 ? -30.571 -21.747 -13.542 1.000 38.913 0 186 LYS   AAA O   1 ? 
ATOM   1267 C  CB  . LYS   A 1 173 ? -29.453 -20.889 -16.566 1.000 38.155 0 186 LYS   AAA CB  1 ? 
ATOM   1268 C  CG  . LYS   A 1 173 ? -29.618 -19.761 -17.577 1.000 43.466 0 186 LYS   AAA CG  1 ? 
ATOM   1269 C  CD  . LYS   A 1 173 ? -28.512 -19.671 -18.586 1.000 47.798 0 186 LYS   AAA CD  1 ? 
ATOM   1270 C  CE  . LYS   A 1 173 ? -28.866 -18.806 -19.777 1.000 54.659 0 186 LYS   AAA CE  1 ? 
ATOM   1271 N  NZ  . LYS   A 1 173 ? -30.244 -19.076 -20.262 1.000 61.723 0 186 LYS   AAA NZ  1 ? 
ATOM   1272 N  N   . THR   A 1 174 ? -30.413 -23.507 -14.966 1.000 37.389 0 187 THR   AAA N   1 ? 
ATOM   1273 C  CA  . THR   A 1 174 ? -30.152 -24.529 -13.947 1.000 39.544 0 187 THR   AAA CA  1 ? 
ATOM   1274 C  C   . THR   A 1 174 ? -28.647 -24.644 -13.701 1.000 35.544 0 187 THR   AAA C   1 ? 
ATOM   1275 O  O   . THR   A 1 174 ? -28.226 -25.206 -12.693 1.000 40.500 0 187 THR   AAA O   1 ? 
ATOM   1276 C  CB  . THR   A 1 174 ? -30.749 -25.885 -14.375 1.000 42.734 0 187 THR   AAA CB  1 ? 
ATOM   1277 O  OG1 . THR   A 1 174 ? -30.103 -26.335 -15.562 1.000 50.682 0 187 THR   AAA OG1 1 ? 
ATOM   1278 C  CG2 . THR   A 1 174 ? -32.240 -25.809 -14.610 1.000 45.945 0 187 THR   AAA CG2 1 ? 
ATOM   1279 N  N   . LYS   A 1 175 ? -27.842 -24.137 -14.646 1.000 32.733 0 188 LYS   AAA N   1 ? 
ATOM   1280 C  CA  . LYS   A 1 175 ? -26.397 -24.291 -14.603 1.000 33.209 0 188 LYS   AAA CA  1 ? 
ATOM   1281 C  C   . LYS   A 1 175 ? -25.847 -23.735 -13.288 1.000 32.599 0 188 LYS   AAA C   1 ? 
ATOM   1282 O  O   . LYS   A 1 175 ? -26.157 -22.606 -12.920 1.000 31.891 0 188 LYS   AAA O   1 ? 
ATOM   1283 C  CB  . LYS   A 1 175 ? -25.730 -23.526 -15.746 1.000 35.870 0 188 LYS   AAA CB  1 ? 
ATOM   1284 C  CG  . LYS   A 1 175 ? -25.994 -24.032 -17.157 1.000 41.413 0 188 LYS   AAA CG  1 ? 
ATOM   1285 C  CD  . LYS   A 1 175 ? -25.206 -23.282 -18.237 1.000 40.955 0 188 LYS   AAA CD  1 ? 
ATOM   1286 C  CE  . LYS   A 1 175 ? -25.333 -21.771 -18.163 1.000 47.648 0 188 LYS   AAA CE  1 ? 
ATOM   1287 N  NZ  . LYS   A 1 175 ? -24.534 -21.068 -19.207 1.000 45.469 0 188 LYS   AAA NZ  1 ? 
ATOM   1288 N  N   . SER   A 1 176 ? -24.946 -24.485 -12.652 1.000 31.264 0 189 SER   AAA N   1 ? 
ATOM   1289 C  CA  . SER   A 1 176 ? -24.531 -24.186 -11.282 1.000 34.367 0 189 SER   AAA CA  1 ? 
ATOM   1290 C  C   . SER   A 1 176 ? -23.339 -25.052 -10.873 1.000 31.480 0 189 SER   AAA C   1 ? 
ATOM   1291 O  O   . SER   A 1 176 ? -23.211 -26.185 -11.296 1.000 29.680 0 189 SER   AAA O   1 ? 
ATOM   1292 C  CB  . SER   A 1 176 ? -25.682 -24.440 -10.309 1.000 35.612 0 189 SER   AAA CB  1 ? 
ATOM   1293 O  OG  . SER   A 1 176 ? -25.331 -24.051 -8.965  1.000 47.395 0 189 SER   AAA OG  1 ? 
ATOM   1294 N  N   . ALA   A 1 177 ? -22.472 -24.519 -10.006 1.000 29.430 0 190 ALA   AAA N   1 ? 
ATOM   1295 C  CA  . ALA   A 1 177 ? -21.606 -25.377 -9.209  1.000 30.409 0 190 ALA   AAA CA  1 ? 
ATOM   1296 C  C   . ALA   A 1 177 ? -22.451 -25.991 -8.084  1.000 26.908 0 190 ALA   AAA C   1 ? 
ATOM   1297 O  O   . ALA   A 1 177 ? -23.467 -25.403 -7.717  1.000 31.656 0 190 ALA   AAA O   1 ? 
ATOM   1298 C  CB  . ALA   A 1 177 ? -20.469 -24.552 -8.638  1.000 28.159 0 190 ALA   AAA CB  1 ? 
ATOM   1299 N  N   . PHE   A 1 178 ? -22.002 -27.108 -7.521  1.000 30.948 0 191 PHE   AAA N   1 ? 
ATOM   1300 C  CA  . PHE   A 1 178 ? -22.779 -27.734 -6.427  1.000 28.114 0 191 PHE   AAA CA  1 ? 
ATOM   1301 C  C   . PHE   A 1 178 ? -21.857 -28.470 -5.454  1.000 31.433 0 191 PHE   AAA C   1 ? 
ATOM   1302 O  O   . PHE   A 1 178 ? -20.639 -28.228 -5.467  1.000 28.585 0 191 PHE   AAA O   1 ? 
ATOM   1303 C  CB  . PHE   A 1 178 ? -23.858 -28.649 -7.016  1.000 32.764 0 191 PHE   AAA CB  1 ? 
ATOM   1304 C  CG  . PHE   A 1 178 ? -24.989 -29.003 -6.083  1.000 33.570 0 191 PHE   AAA CG  1 ? 
ATOM   1305 C  CD1 . PHE   A 1 178 ? -25.697 -28.016 -5.416  1.000 30.869 0 191 PHE   AAA CD1 1 ? 
ATOM   1306 C  CD2 . PHE   A 1 178 ? -25.344 -30.325 -5.871  1.000 33.570 0 191 PHE   AAA CD2 1 ? 
ATOM   1307 C  CE1 . PHE   A 1 178 ? -26.734 -28.344 -4.558  1.000 30.609 0 191 PHE   AAA CE1 1 ? 
ATOM   1308 C  CE2 . PHE   A 1 178 ? -26.382 -30.651 -5.013  1.000 36.607 0 191 PHE   AAA CE2 1 ? 
ATOM   1309 C  CZ  . PHE   A 1 178 ? -27.076 -29.661 -4.359  1.000 34.978 0 191 PHE   AAA CZ  1 ? 
ATOM   1310 N  N   . LYS   A 1 179 ? -22.440 -29.336 -4.628  1.000 30.375 0 192 LYS   AAA N   1 ? 
ATOM   1311 C  CA  . LYS   A 1 179 ? -21.679 -30.075 -3.631  1.000 31.780 0 192 LYS   AAA CA  1 ? 
ATOM   1312 C  C   . LYS   A 1 179 ? -20.523 -30.809 -4.307  1.000 31.141 0 192 LYS   AAA C   1 ? 
ATOM   1313 O  O   . LYS   A 1 179 ? -20.714 -31.457 -5.337  1.000 30.404 0 192 LYS   AAA O   1 ? 
ATOM   1314 C  CB  . LYS   A 1 179 ? -22.568 -31.111 -2.917  1.000 34.017 0 192 LYS   AAA CB  1 ? 
ATOM   1315 C  CG  . LYS   A 1 179 ? -23.744 -30.589 -2.090  1.000 34.101 0 192 LYS   AAA CG  1 ? 
ATOM   1316 C  CD  . LYS   A 1 179 ? -24.599 -31.726 -1.496  1.000 35.444 0 192 LYS   AAA CD  1 ? 
ATOM   1317 C  CE  . LYS   A 1 179 ? -25.831 -31.283 -0.728  1.000 35.870 0 192 LYS   AAA CE  1 ? 
ATOM   1318 N  NZ  . LYS   A 1 179 ? -25.492 -30.739 0.608   1.000 38.481 0 192 LYS   AAA NZ  1 ? 
ATOM   1319 N  N   . GLY   A 1 180 ? -19.328 -30.693 -3.726  1.000 27.545 0 193 GLY   AAA N   1 ? 
ATOM   1320 C  CA  . GLY   A 1 180 ? -18.139 -31.331 -4.321  1.000 30.377 0 193 GLY   AAA CA  1 ? 
ATOM   1321 C  C   . GLY   A 1 180 ? -17.321 -30.356 -5.152  1.000 27.272 0 193 GLY   AAA C   1 ? 
ATOM   1322 O  O   . GLY   A 1 180 ? -16.133 -30.632 -5.369  1.000 30.027 0 193 GLY   AAA O   1 ? 
ATOM   1323 N  N   . ASP   A 1 181 ? -17.938 -29.261 -5.600  1.000 25.948 0 194 ASP   AAA N   1 ? 
ATOM   1324 C  CA  . ASP   A 1 181 ? -17.235 -28.251 -6.436  1.000 25.014 0 194 ASP   AAA CA  1 ? 
ATOM   1325 C  C   . ASP   A 1 181 ? -16.600 -27.186 -5.536  1.000 23.548 0 194 ASP   AAA C   1 ? 
ATOM   1326 O  O   . ASP   A 1 181 ? -15.792 -26.393 -6.042  1.000 25.585 0 194 ASP   AAA O   1 ? 
ATOM   1327 C  CB  . ASP   A 1 181 ? -18.199 -27.627 -7.444  1.000 27.672 0 194 ASP   AAA CB  1 ? 
ATOM   1328 C  CG  . ASP   A 1 181 ? -18.770 -28.636 -8.425  1.000 31.267 0 194 ASP   AAA CG  1 ? 
ATOM   1329 O  OD1 . ASP   A 1 181 ? -17.990 -29.464 -8.929  1.000 26.824 0 194 ASP   AAA OD1 1 ? 
ATOM   1330 O  OD2 . ASP   A 1 181 ? -19.988 -28.580 -8.675  1.000 30.756 0 194 ASP   AAA OD2 1 ? 
ATOM   1331 N  N   . SER   A 1 182 ? -16.966 -27.179 -4.254  1.000 24.566 0 195 SER   AAA N   1 ? 
ATOM   1332 C  CA  . SER   A 1 182 ? -16.439 -26.187 -3.285  1.000 24.290 0 195 SER   AAA CA  1 ? 
ATOM   1333 C  C   . SER   A 1 182 ? -14.914 -26.079 -3.397  1.000 22.661 0 195 SER   AAA C   1 ? 
ATOM   1334 O  O   . SER   A 1 182 ? -14.266 -27.122 -3.566  1.000 24.558 0 195 SER   AAA O   1 ? 
ATOM   1335 C  CB  . SER   A 1 182 ? -16.858 -26.556 -1.879  1.000 29.511 0 195 SER   AAA CB  1 ? 
ATOM   1336 O  OG  . SER   A 1 182 ? -18.265 -26.687 -1.777  1.000 34.567 0 195 SER   AAA OG  1 ? 
ATOM   1337 N  N   . GLY   A 1 183 ? -14.371 -24.863 -3.282  1.000 23.711 0 196 GLY   AAA N   1 ? 
ATOM   1338 C  CA  . GLY   A 1 183 ? -12.906 -24.678 -3.292  1.000 23.242 0 196 GLY   AAA CA  1 ? 
ATOM   1339 C  C   . GLY   A 1 183 ? -12.359 -24.463 -4.691  1.000 23.590 0 196 GLY   AAA C   1 ? 
ATOM   1340 O  O   . GLY   A 1 183 ? -11.233 -23.967 -4.817  1.000 24.845 0 196 GLY   AAA O   1 ? 
ATOM   1341 N  N   . GLY   A 1 184 ? -13.132 -24.842 -5.707  1.000 26.969 0 197 GLY   AAA N   1 ? 
ATOM   1342 C  CA  . GLY   A 1 184 ? -12.657 -24.716 -7.094  1.000 26.329 0 197 GLY   AAA CA  1 ? 
ATOM   1343 C  C   . GLY   A 1 184 ? -12.616 -23.269 -7.546  1.000 25.545 0 197 GLY   AAA C   1 ? 
ATOM   1344 O  O   . GLY   A 1 184 ? -13.338 -22.442 -6.970  1.000 25.453 0 197 GLY   AAA O   1 ? 
ATOM   1345 N  N   . PRO   A 1 185 ? -11.808 -22.934 -8.570  1.000 23.971 0 198 PRO   AAA N   1 ? 
ATOM   1346 C  CA  . PRO   A 1 185 ? -11.751 -21.579 -9.085  1.000 25.853 0 198 PRO   AAA CA  1 ? 
ATOM   1347 C  C   . PRO   A 1 185 ? -12.848 -21.270 -10.089 1.000 27.922 0 198 PRO   AAA C   1 ? 
ATOM   1348 O  O   . PRO   A 1 185 ? -13.304 -22.136 -10.840 1.000 27.469 0 198 PRO   AAA O   1 ? 
ATOM   1349 C  CB  . PRO   A 1 185 ? -10.407 -21.524 -9.811  1.000 27.711 0 198 PRO   AAA CB  1 ? 
ATOM   1350 C  CG  . PRO   A 1 185 ? -10.188 -22.940 -10.250 1.000 26.751 0 198 PRO   AAA CG  1 ? 
ATOM   1351 C  CD  . PRO   A 1 185 ? -10.921 -23.853 -9.284  1.000 28.022 0 198 PRO   AAA CD  1 ? 
ATOM   1352 N  N   . LEU   A 1 186 ? -13.208 -19.990 -10.106 1.000 25.258 0 199 LEU   AAA N   1 ? 
ATOM   1353 C  CA  . LEU   A 1 186 ? -14.009 -19.414 -11.165 1.000 25.053 0 199 LEU   AAA CA  1 ? 
ATOM   1354 C  C   . LEU   A 1 186 ? -13.057 -18.568 -11.993 1.000 27.527 0 199 LEU   AAA C   1 ? 
ATOM   1355 O  O   . LEU   A 1 186 ? -12.476 -17.622 -11.459 1.000 27.101 0 199 LEU   AAA O   1 ? 
ATOM   1356 C  CB  . LEU   A 1 186 ? -15.095 -18.529 -10.544 1.000 26.864 0 199 LEU   AAA CB  1 ? 
ATOM   1357 C  CG  . LEU   A 1 186 ? -16.017 -17.814 -11.555 1.000 27.488 0 199 LEU   AAA CG  1 ? 
ATOM   1358 C  CD1 . LEU   A 1 186 ? -17.042 -18.766 -12.104 1.000 30.591 0 199 LEU   AAA CD1 1 ? 
ATOM   1359 C  CD2 . LEU   A 1 186 ? -16.704 -16.635 -10.906 1.000 27.630 0 199 LEU   AAA CD2 1 ? 
ATOM   1360 N  N   . LEU   A 1 187 ? -12.902 -18.916 -13.277 1.000 27.037 0 200 LEU   AAA N   1 ? 
ATOM   1361 C  CA  . LEU   A 1 187 ? -12.018 -18.173 -14.163 1.000 30.422 0 200 LEU   AAA CA  1 ? 
ATOM   1362 C  C   . LEU   A 1 187 ? -12.845 -17.261 -15.072 1.000 30.935 0 200 LEU   AAA C   1 ? 
ATOM   1363 O  O   . LEU   A 1 187 ? -13.889 -17.640 -15.586 1.000 30.412 0 200 LEU   AAA O   1 ? 
ATOM   1364 C  CB  . LEU   A 1 187 ? -11.195 -19.153 -14.982 1.000 32.883 0 200 LEU   AAA CB  1 ? 
ATOM   1365 C  CG  . LEU   A 1 187 ? -10.183 -19.964 -14.177 1.000 35.754 0 200 LEU   AAA CG  1 ? 
ATOM   1366 C  CD1 . LEU   A 1 187 ? -10.818 -21.255 -13.685 1.000 35.738 0 200 LEU   AAA CD1 1 ? 
ATOM   1367 C  CD2 . LEU   A 1 187 ? -8.946  -20.227 -15.016 1.000 39.568 0 200 LEU   AAA CD2 1 ? 
ATOM   1368 N  N   . CYS   A 1 188 ? -12.372 -16.028 -15.219 1.000 31.322 0 201 CYS   AAA N   1 ? 
ATOM   1369 C  CA  . CYS   A 1 188 ? -13.010 -15.070 -16.114 1.000 37.526 0 201 CYS   AAA CA  1 ? 
ATOM   1370 C  C   . CYS   A 1 188 ? -11.906 -14.584 -17.064 1.000 37.131 0 201 CYS   AAA C   1 ? 
ATOM   1371 O  O   . CYS   A 1 188 ? -10.856 -14.155 -16.601 1.000 37.607 0 201 CYS   AAA O   1 ? 
ATOM   1372 C  CB  . CYS   A 1 188 ? -13.641 -13.900 -15.366 1.000 38.818 0 201 CYS   AAA CB  1 ? 
ATOM   1373 S  SG  . CYS   A 1 188 ? -14.753 -14.322 -13.986 1.000 34.128 0 201 CYS   AAA SG  1 ? 
ATOM   1374 N  N   . ALA   A 1 189 ? -12.099 -14.752 -18.380 1.000 43.526 0 202 ALA   AAA N   1 ? 
ATOM   1375 C  CA  . ALA   A 1 189 ? -11.026 -14.509 -19.340 1.000 46.864 0 202 ALA   AAA CA  1 ? 
ATOM   1376 C  C   . ALA   A 1 189 ? -9.726  -15.213 -18.936 1.000 49.132 0 202 ALA   AAA C   1 ? 
ATOM   1377 O  O   . ALA   A 1 189 ? -8.655  -14.635 -19.081 1.000 50.393 0 202 ALA   AAA O   1 ? 
ATOM   1378 C  CB  . ALA   A 1 189 ? -10.793 -13.020 -19.462 1.000 47.456 0 202 ALA   AAA CB  1 ? 
ATOM   1379 N  N   . GLY   A 1 190 ? -9.806  -16.438 -18.401 1.000 45.550 0 207 GLY   AAA N   1 ? 
ATOM   1380 C  CA  . GLY   A 1 190 ? -8.608  -17.218 -18.092 1.000 44.613 0 207 GLY   AAA CA  1 ? 
ATOM   1381 C  C   . GLY   A 1 190 ? -7.899  -16.840 -16.783 1.000 44.153 0 207 GLY   AAA C   1 ? 
ATOM   1382 O  O   . GLY   A 1 190 ? -6.868  -17.427 -16.435 1.000 47.329 0 207 GLY   AAA O   1 ? 
ATOM   1383 N  N   . ALA   A 1 191 ? -8.445  -15.888 -16.019 1.000 39.249 0 208 ALA   AAA N   1 ? 
ATOM   1384 C  CA  . ALA   A 1 191 ? -7.823  -15.502 -14.763 1.000 36.549 0 208 ALA   AAA CA  1 ? 
ATOM   1385 C  C   . ALA   A 1 191 ? -8.754  -15.889 -13.623 1.000 32.401 0 208 ALA   AAA C   1 ? 
ATOM   1386 O  O   . ALA   A 1 191 ? -9.953  -15.663 -13.739 1.000 31.391 0 208 ALA   AAA O   1 ? 
ATOM   1387 C  CB  . ALA   A 1 191 ? -7.538  -14.002 -14.768 1.000 38.644 0 208 ALA   AAA CB  1 ? 
ATOM   1388 N  N   . ALA   A 1 192 ? -8.202  -16.447 -12.539 1.000 32.728 0 209 ALA   AAA N   1 ? 
ATOM   1389 C  CA  . ALA   A 1 192 ? -9.015  -16.864 -11.403 1.000 30.977 0 209 ALA   AAA CA  1 ? 
ATOM   1390 C  C   . ALA   A 1 192 ? -9.575  -15.635 -10.703 1.000 32.786 0 209 ALA   AAA C   1 ? 
ATOM   1391 O  O   . ALA   A 1 192 ? -8.808  -14.778 -10.270 1.000 36.481 0 209 ALA   AAA O   1 ? 
ATOM   1392 C  CB  . ALA   A 1 192 ? -8.182  -17.716 -10.465 1.000 33.349 0 209 ALA   AAA CB  1 ? 
ATOM   1393 N  N   . GLN   A 1 193 ? -10.907 -15.550 -10.572 1.000 27.269 0 210 GLN   AAA N   1 ? 
ATOM   1394 C  CA  . GLN   A 1 193 ? -11.500 -14.407 -9.910  1.000 28.830 0 210 GLN   AAA CA  1 ? 
ATOM   1395 C  C   . GLN   A 1 193 ? -12.295 -14.801 -8.657  1.000 26.243 0 210 GLN   AAA C   1 ? 
ATOM   1396 O  O   . GLN   A 1 193 ? -12.498 -13.944 -7.785  1.000 26.316 0 210 GLN   AAA O   1 ? 
ATOM   1397 C  CB  . GLN   A 1 193 ? -12.418 -13.650 -10.874 1.000 33.296 0 210 GLN   AAA CB  1 ? 
ATOM   1398 C  CG  . GLN   A 1 193 ? -11.679 -12.950 -12.024 1.000 39.460 0 210 GLN   AAA CG  1 ? 
ATOM   1399 C  CD  . GLN   A 1 193 ? -10.513 -12.045 -11.662 1.000 46.979 0 210 GLN   AAA CD  1 ? 
ATOM   1400 O  OE1 . GLN   A 1 193 ? -9.722  -11.662 -12.524 1.000 56.496 0 210 GLN   AAA OE1 1 ? 
ATOM   1401 N  NE2 . GLN   A 1 193 ? -10.347 -11.710 -10.390 1.000 47.700 0 210 GLN   AAA NE2 1 ? 
ATOM   1402 N  N   . GLY   A 1 194 ? -12.746 -16.055 -8.605  1.000 26.127 0 211 GLY   AAA N   1 ? 
ATOM   1403 C  CA  . GLY   A 1 194 ? -13.593 -16.534 -7.519  1.000 24.911 0 211 GLY   AAA CA  1 ? 
ATOM   1404 C  C   . GLY   A 1 194 ? -13.185 -17.907 -7.023  1.000 24.100 0 211 GLY   AAA C   1 ? 
ATOM   1405 O  O   . GLY   A 1 194 ? -12.450 -18.637 -7.709  1.000 24.206 0 211 GLY   AAA O   1 ? 
ATOM   1406 N  N   . ILE   A 1 195 ? -13.671 -18.233 -5.817  1.000 23.792 0 212 ILE   AAA N   1 ? 
ATOM   1407 C  CA  . ILE   A 1 195 ? -13.579 -19.581 -5.253  1.000 22.205 0 212 ILE   AAA CA  1 ? 
ATOM   1408 C  C   . ILE   A 1 195 ? -14.999 -20.027 -4.918  1.000 23.258 0 212 ILE   AAA C   1 ? 
ATOM   1409 O  O   . ILE   A 1 195 ? -15.700 -19.300 -4.215  1.000 22.729 0 212 ILE   AAA O   1 ? 
ATOM   1410 C  CB  . ILE   A 1 195 ? -12.668 -19.635 -4.005  1.000 22.719 0 212 ILE   AAA CB  1 ? 
ATOM   1411 C  CG1 . ILE   A 1 195 ? -11.250 -19.179 -4.316  1.000 23.619 0 212 ILE   AAA CG1 1 ? 
ATOM   1412 C  CG2 . ILE   A 1 195 ? -12.648 -21.052 -3.443  1.000 24.158 0 212 ILE   AAA CG2 1 ? 
ATOM   1413 C  CD1 . ILE   A 1 195 ? -10.388 -18.913 -3.101  1.000 25.177 0 212 ILE   AAA CD1 1 ? 
ATOM   1414 N  N   . VAL   A 1 196 ? -15.393 -21.208 -5.400  1.000 23.340 0 213 VAL   AAA N   1 ? 
ATOM   1415 C  CA  . VAL   A 1 196 ? -16.743 -21.755 -5.079  1.000 22.661 0 213 VAL   AAA CA  1 ? 
ATOM   1416 C  C   . VAL   A 1 196 ? -16.900 -21.800 -3.556  1.000 23.169 0 213 VAL   AAA C   1 ? 
ATOM   1417 O  O   . VAL   A 1 196 ? -16.068 -22.447 -2.908  1.000 22.211 0 213 VAL   AAA O   1 ? 
ATOM   1418 C  CB  . VAL   A 1 196 ? -16.949 -23.151 -5.696  1.000 22.924 0 213 VAL   AAA CB  1 ? 
ATOM   1419 C  CG1 . VAL   A 1 196 ? -18.326 -23.711 -5.378  1.000 22.882 0 213 VAL   AAA CG1 1 ? 
ATOM   1420 C  CG2 . VAL   A 1 196 ? -16.690 -23.160 -7.193  1.000 24.366 0 213 VAL   AAA CG2 1 ? 
ATOM   1421 N  N   . SER   A 1 197 ? -17.937 -21.145 -3.023  1.000 22.284 0 214 SER   AAA N   1 ? 
ATOM   1422 C  CA  . SER   A 1 197 ? -18.165 -21.122 -1.552  1.000 21.932 0 214 SER   AAA CA  1 ? 
ATOM   1423 C  C   . SER   A 1 197 ? -19.478 -21.817 -1.174  1.000 23.600 0 214 SER   AAA C   1 ? 
ATOM   1424 O  O   . SER   A 1 197 ? -19.413 -22.869 -0.527  1.000 23.898 0 214 SER   AAA O   1 ? 
ATOM   1425 C  CB  . SER   A 1 197 ? -18.138 -19.720 -0.994  1.000 21.042 0 214 SER   AAA CB  1 ? 
ATOM   1426 O  OG  . SER   A 1 197 ? -18.298 -19.738 0.414   1.000 21.382 0 214 SER   AAA OG  1 ? 
ATOM   1427 N  N   . TYR   A 1 198 ? -20.620 -21.221 -1.522  1.000 22.755 0 215 TYR   AAA N   1 ? 
ATOM   1428 C  CA  . TYR   A 1 198 ? -21.875 -21.827 -1.064  1.000 21.447 0 215 TYR   AAA CA  1 ? 
ATOM   1429 C  C   . TYR   A 1 198 ? -23.050 -21.463 -1.967  1.000 23.255 0 215 TYR   AAA C   1 ? 
ATOM   1430 O  O   . TYR   A 1 198 ? -23.006 -20.499 -2.709  1.000 24.203 0 215 TYR   AAA O   1 ? 
ATOM   1431 C  CB  . TYR   A 1 198 ? -22.190 -21.423 0.381   1.000 23.008 0 215 TYR   AAA CB  1 ? 
ATOM   1432 C  CG  . TYR   A 1 198 ? -22.495 -19.972 0.665   1.000 22.676 0 215 TYR   AAA CG  1 ? 
ATOM   1433 C  CD1 . TYR   A 1 198 ? -23.789 -19.466 0.513   1.000 24.334 0 215 TYR   AAA CD1 1 ? 
ATOM   1434 C  CD2 . TYR   A 1 198 ? -21.535 -19.114 1.183   1.000 23.045 0 215 TYR   AAA CD2 1 ? 
ATOM   1435 C  CE1 . TYR   A 1 198 ? -24.077 -18.137 0.792   1.000 23.363 0 215 TYR   AAA CE1 1 ? 
ATOM   1436 C  CE2 . TYR   A 1 198 ? -21.810 -17.783 1.470   1.000 23.453 0 215 TYR   AAA CE2 1 ? 
ATOM   1437 C  CZ  . TYR   A 1 198 ? -23.095 -17.296 1.303   1.000 25.164 0 215 TYR   AAA CZ  1 ? 
ATOM   1438 O  OH  . TYR   A 1 198 ? -23.327 -15.958 1.615   1.000 27.290 0 215 TYR   AAA OH  1 ? 
ATOM   1439 N  N   . GLY   A 1 199 ? -24.132 -22.215 -1.824  1.000 24.321 0 216 GLY   AAA N   1 ? 
ATOM   1440 C  CA  . GLY   A 1 199 ? -25.409 -21.867 -2.413  1.000 22.605 0 216 GLY   AAA CA  1 ? 
ATOM   1441 C  C   . GLY   A 1 199 ? -26.551 -22.665 -1.783  1.000 24.290 0 216 GLY   AAA C   1 ? 
ATOM   1442 O  O   . GLY   A 1 199 ? -26.395 -23.316 -0.749  1.000 25.316 0 216 GLY   AAA O   1 ? 
ATOM   1443 N  N   . ARG   A 1 200 ? -27.692 -22.557 -2.467  1.000 24.795 0 217 ARG   AAA N   1 ? 
ATOM   1444 C  CA  . ARG   A 1 200 ? -28.930 -23.189 -1.968  1.000 26.156 0 217 ARG   AAA CA  1 ? 
ATOM   1445 C  C   . ARG   A 1 200 ? -28.899 -24.702 -2.128  1.000 24.495 0 217 ARG   AAA C   1 ? 
ATOM   1446 O  O   . ARG   A 1 200 ? -28.388 -25.193 -3.145  1.000 24.982 0 217 ARG   AAA O   1 ? 
ATOM   1447 C  CB  . ARG   A 1 200 ? -30.133 -22.644 -2.743  1.000 25.779 0 217 ARG   AAA CB  1 ? 
ATOM   1448 C  CG  . ARG   A 1 200 ? -30.469 -21.192 -2.445  1.000 25.645 0 217 ARG   AAA CG  1 ? 
ATOM   1449 C  CD  . ARG   A 1 200 ? -31.611 -20.716 -3.321  1.000 26.785 0 217 ARG   AAA CD  1 ? 
ATOM   1450 N  NE  . ARG   A 1 200 ? -32.779 -21.578 -3.213  1.000 29.201 0 217 ARG   AAA NE  1 ? 
ATOM   1451 C  CZ  . ARG   A 1 200 ? -33.853 -21.295 -2.487  1.000 29.261 0 217 ARG   AAA CZ  1 ? 
ATOM   1452 N  NH1 . ARG   A 1 200 ? -33.867 -20.223 -1.715  1.000 30.217 0 217 ARG   AAA NH1 1 ? 
ATOM   1453 N  NH2 . ARG   A 1 200 ? -34.912 -22.084 -2.534  1.000 30.354 0 217 ARG   AAA NH2 1 ? 
ATOM   1454 N  N   . SER   A 1 201 ? -29.472 -25.387 -1.154  1.000 27.774 0 218 SER   AAA N   1 ? 
ATOM   1455 C  CA  . SER   A 1 201 ? -29.594 -26.837 -1.179  1.000 29.156 0 218 SER   AAA CA  1 ? 
ATOM   1456 C  C   . SER   A 1 201 ? -30.367 -27.364 -2.385  1.000 30.756 0 218 SER   AAA C   1 ? 
ATOM   1457 O  O   . SER   A 1 201 ? -30.091 -28.487 -2.826  1.000 31.806 0 218 SER   AAA O   1 ? 
ATOM   1458 C  CB  . SER   A 1 201 ? -30.215 -27.350 0.105   1.000 31.893 0 218 SER   AAA CB  1 ? 
ATOM   1459 O  OG  . SER   A 1 201 ? -31.515 -26.851 0.292   1.000 30.659 0 218 SER   AAA OG  1 ? 
ATOM   1460 N  N   . ASP   A 1 202 ? -31.261 -26.538 -2.941  1.000 30.235 0 219 ASP   AAA N   1 ? 
ATOM   1461 C  CA  . ASP   A 1 202 ? -32.062 -26.937 -4.133  1.000 30.730 0 219 ASP   AAA CA  1 ? 
ATOM   1462 C  C   . ASP   A 1 202 ? -31.312 -26.586 -5.425  1.000 29.359 0 219 ASP   AAA C   1 ? 
ATOM   1463 O  O   . ASP   A 1 202 ? -31.913 -26.748 -6.498  1.000 29.088 0 219 ASP   AAA O   1 ? 
ATOM   1464 C  CB  . ASP   A 1 202 ? -33.462 -26.320 -4.096  1.000 30.475 0 219 ASP   AAA CB  1 ? 
ATOM   1465 C  CG  . ASP   A 1 202 ? -33.484 -24.803 -4.165  1.000 32.867 0 219 ASP   AAA CG  1 ? 
ATOM   1466 O  OD1 . ASP   A 1 202 ? -32.410 -24.202 -4.341  1.000 27.227 0 219 ASP   AAA OD1 1 ? 
ATOM   1467 O  OD2 . ASP   A 1 202 ? -34.584 -24.236 -4.045  1.000 31.743 0 219 ASP   AAA OD2 1 ? 
ATOM   1468 N  N   . ALA   A 1 203 ? -30.083 -26.075 -5.320  1.000 27.553 0 220 ALA   AAA N   1 ? 
ATOM   1469 C  CA  . ALA   A 1 203 ? -29.238 -25.805 -6.510  1.000 27.361 0 220 ALA   AAA CA  1 ? 
ATOM   1470 C  C   . ALA   A 1 203 ? -29.806 -24.684 -7.392  1.000 26.253 0 220 ALA   AAA C   1 ? 
ATOM   1471 O  O   . ALA   A 1 203 ? -29.332 -24.541 -8.526  1.000 28.822 0 220 ALA   AAA O   1 ? 
ATOM   1472 C  CB  . ALA   A 1 203 ? -29.045 -27.079 -7.295  1.000 29.422 0 220 ALA   AAA CB  1 ? 
ATOM   1473 N  N   . LYS   A 1 204 ? -30.747 -23.894 -6.876  1.000 25.764 0 221 LYS   AAA N   1 ? 
ATOM   1474 C  CA  . LYS   A 1 204 ? -31.259 -22.738 -7.657  1.000 28.140 0 221 LYS   AAA CA  1 ? 
ATOM   1475 C  C   . LYS   A 1 204 ? -30.205 -21.628 -7.647  1.000 25.722 0 221 LYS   AAA C   1 ? 
ATOM   1476 O  O   . LYS   A 1 204 ? -29.906 -21.118 -6.558  1.000 25.656 0 221 LYS   AAA O   1 ? 
ATOM   1477 C  CB  . LYS   A 1 204 ? -32.570 -22.211 -7.071  1.000 30.704 0 221 LYS   AAA CB  1 ? 
ATOM   1478 C  CG  . LYS   A 1 204 ? -33.768 -23.140 -7.192  1.000 38.178 0 221 LYS   AAA CG  1 ? 
ATOM   1479 C  CD  . LYS   A 1 204 ? -35.032 -22.516 -6.640  1.000 49.230 0 221 LYS   AAA CD  1 ? 
ATOM   1480 C  CE  . LYS   A 1 204 ? -36.256 -23.387 -6.818  1.000 54.951 0 221 LYS   AAA CE  1 ? 
ATOM   1481 N  NZ  . LYS   A 1 204 ? -37.013 -23.014 -8.035  1.000 64.889 0 221 LYS   AAA NZ  1 ? 
ATOM   1482 N  N   . PRO   A 1 205 ? -29.643 -21.231 -8.808  1.000 27.090 0 224 PRO   AAA N   1 ? 
ATOM   1483 C  CA  . PRO   A 1 205 ? -28.685 -20.131 -8.848  1.000 25.524 0 224 PRO   AAA CA  1 ? 
ATOM   1484 C  C   . PRO   A 1 205 ? -29.366 -18.810 -8.450  1.000 24.006 0 224 PRO   AAA C   1 ? 
ATOM   1485 O  O   . PRO   A 1 205 ? -30.569 -18.716 -8.537  1.000 25.987 0 224 PRO   AAA O   1 ? 
ATOM   1486 C  CB  . PRO   A 1 205 ? -28.210 -20.093 -10.307 1.000 28.440 0 224 PRO   AAA CB  1 ? 
ATOM   1487 C  CG  . PRO   A 1 205 ? -28.629 -21.429 -10.886 1.000 28.851 0 224 PRO   AAA CG  1 ? 
ATOM   1488 C  CD  . PRO   A 1 205 ? -29.879 -21.819 -10.126 1.000 27.045 0 224 PRO   AAA CD  1 ? 
ATOM   1489 N  N   . PRO   A 1 206 ? -28.600 -17.791 -8.014  1.000 24.914 0 225 PRO   AAA N   1 ? 
ATOM   1490 C  CA  . PRO   A 1 206 ? -27.142 -17.862 -8.040  1.000 24.861 0 225 PRO   AAA CA  1 ? 
ATOM   1491 C  C   . PRO   A 1 206 ? -26.451 -18.444 -6.800  1.000 23.956 0 225 PRO   AAA C   1 ? 
ATOM   1492 O  O   . PRO   A 1 206 ? -27.128 -18.725 -5.837  1.000 24.403 0 225 PRO   AAA O   1 ? 
ATOM   1493 C  CB  . PRO   A 1 206 ? -26.744 -16.380 -8.103  1.000 25.985 0 225 PRO   AAA CB  1 ? 
ATOM   1494 C  CG  . PRO   A 1 206 ? -27.830 -15.678 -7.318  1.000 26.206 0 225 PRO   AAA CG  1 ? 
ATOM   1495 C  CD  . PRO   A 1 206 ? -29.088 -16.493 -7.544  1.000 27.285 0 225 PRO   AAA CD  1 ? 
ATOM   1496 N  N   . ALA   A 1 207 ? -25.136 -18.651 -6.889  1.000 25.653 0 226 ALA   AAA N   1 ? 
ATOM   1497 C  CA  . ALA   A 1 207 ? -24.326 -19.077 -5.758  1.000 24.671 0 226 ALA   AAA CA  1 ? 
ATOM   1498 C  C   . ALA   A 1 207 ? -23.344 -17.980 -5.377  1.000 23.734 0 226 ALA   AAA C   1 ? 
ATOM   1499 O  O   . ALA   A 1 207 ? -23.131 -17.015 -6.121  1.000 26.258 0 226 ALA   AAA O   1 ? 
ATOM   1500 C  CB  . ALA   A 1 207 ? -23.602 -20.354 -6.101  1.000 26.064 0 226 ALA   AAA CB  1 ? 
ATOM   1501 N  N   . VAL   A 1 208 ? -22.662 -18.197 -4.251  1.000 24.750 0 227 VAL   AAA N   1 ? 
ATOM   1502 C  CA  . VAL   A 1 208 ? -21.742 -17.228 -3.696  1.000 22.113 0 227 VAL   AAA CA  1 ? 
ATOM   1503 C  C   . VAL   A 1 208 ? -20.316 -17.767 -3.817  1.000 24.132 0 227 VAL   AAA C   1 ? 
ATOM   1504 O  O   . VAL   A 1 208 ? -20.047 -18.913 -3.469  1.000 23.187 0 227 VAL   AAA O   1 ? 
ATOM   1505 C  CB  . VAL   A 1 208 ? -22.135 -16.910 -2.251  1.000 22.779 0 227 VAL   AAA CB  1 ? 
ATOM   1506 C  CG1 . VAL   A 1 208 ? -21.142 -15.982 -1.558  1.000 25.403 0 227 VAL   AAA CG1 1 ? 
ATOM   1507 C  CG2 . VAL   A 1 208 ? -23.526 -16.308 -2.195  1.000 23.311 0 227 VAL   AAA CG2 1 ? 
ATOM   1508 N  N   . PHE   A 1 209 ? -19.438 -16.946 -4.377  1.000 22.555 0 228 PHE   AAA N   1 ? 
ATOM   1509 C  CA  . PHE   A 1 209 ? -18.023 -17.260 -4.526  1.000 22.850 0 228 PHE   AAA CA  1 ? 
ATOM   1510 C  C   . PHE   A 1 209 ? -17.192 -16.260 -3.719  1.000 25.811 0 228 PHE   AAA C   1 ? 
ATOM   1511 O  O   . PHE   A 1 209 ? -17.485 -15.068 -3.694  1.000 24.540 0 228 PHE   AAA O   1 ? 
ATOM   1512 C  CB  . PHE   A 1 209 ? -17.610 -17.236 -5.996  1.000 24.729 0 228 PHE   AAA CB  1 ? 
ATOM   1513 C  CG  . PHE   A 1 209 ? -18.112 -18.392 -6.841  1.000 24.648 0 228 PHE   AAA CG  1 ? 
ATOM   1514 C  CD1 . PHE   A 1 209 ? -19.463 -18.705 -6.933  1.000 24.879 0 228 PHE   AAA CD1 1 ? 
ATOM   1515 C  CD2 . PHE   A 1 209 ? -17.226 -19.099 -7.640  1.000 23.229 0 228 PHE   AAA CD2 1 ? 
ATOM   1516 C  CE1 . PHE   A 1 209 ? -19.898 -19.753 -7.743  1.000 23.563 0 228 PHE   AAA CE1 1 ? 
ATOM   1517 C  CE2 . PHE   A 1 209 ? -17.667 -20.144 -8.448  1.000 24.640 0 228 PHE   AAA CE2 1 ? 
ATOM   1518 C  CZ  . PHE   A 1 209 ? -18.995 -20.475 -8.489  1.000 22.163 0 228 PHE   AAA CZ  1 ? 
ATOM   1519 N  N   . THR   A 1 210 ? -16.043 -16.716 -3.202  1.000 23.616 0 229 THR   AAA N   1 ? 
ATOM   1520 C  CA  . THR   A 1 210 ? -15.111 -15.795 -2.591  1.000 24.687 0 229 THR   AAA CA  1 ? 
ATOM   1521 C  C   . THR   A 1 210 ? -14.503 -14.882 -3.661  1.000 24.511 0 229 THR   AAA C   1 ? 
ATOM   1522 O  O   . THR   A 1 210 ? -14.116 -15.374 -4.713  1.000 23.924 0 229 THR   AAA O   1 ? 
ATOM   1523 C  CB  . THR   A 1 210 ? -14.020 -16.558 -1.846  1.000 24.961 0 229 THR   AAA CB  1 ? 
ATOM   1524 O  OG1 . THR   A 1 210 ? -14.671 -17.446 -0.931  1.000 24.258 0 229 THR   AAA OG1 1 ? 
ATOM   1525 C  CG2 . THR   A 1 210 ? -13.086 -15.606 -1.132  1.000 24.895 0 229 THR   AAA CG2 1 ? 
ATOM   1526 N  N   . ARG   A 1 211 ? -14.432 -13.566 -3.408  1.000 26.793 0 230 ARG   AAA N   1 ? 
ATOM   1527 C  CA  . ARG   A 1 211 ? -13.808 -12.628 -4.330  1.000 25.693 0 230 ARG   AAA CA  1 ? 
ATOM   1528 C  C   . ARG   A 1 211 ? -12.294 -12.592 -4.092  1.000 27.632 0 230 ARG   AAA C   1 ? 
ATOM   1529 O  O   . ARG   A 1 211 ? -11.813 -11.984 -3.138  1.000 26.756 0 230 ARG   AAA O   1 ? 
ATOM   1530 C  CB  . ARG   A 1 211 ? -14.397 -11.238 -4.136  1.000 26.079 0 230 ARG   AAA CB  1 ? 
ATOM   1531 C  CG  . ARG   A 1 211 ? -13.822 -10.203 -5.087  1.000 29.440 0 230 ARG   AAA CG  1 ? 
ATOM   1532 C  CD  . ARG   A 1 211 ? -14.361 -8.815  -4.797  1.000 29.193 0 230 ARG   AAA CD  1 ? 
ATOM   1533 N  NE  . ARG   A 1 211 ? -15.793 -8.628  -5.005  1.000 30.398 0 230 ARG   AAA NE  1 ? 
ATOM   1534 C  CZ  . ARG   A 1 211 ? -16.372 -8.419  -6.174  1.000 31.177 0 230 ARG   AAA CZ  1 ? 
ATOM   1535 N  NH1 . ARG   A 1 211 ? -15.660 -8.362  -7.283  1.000 32.046 0 230 ARG   AAA NH1 1 ? 
ATOM   1536 N  NH2 . ARG   A 1 211 ? -17.669 -8.227  -6.241  1.000 29.801 0 230 ARG   AAA NH2 1 ? 
ATOM   1537 N  N   . ILE   A 1 212 ? -11.529 -13.244 -4.963  1.000 25.635 0 231 ILE   AAA N   1 ? 
ATOM   1538 C  CA  . ILE   A 1 212 ? -10.110 -13.458 -4.694  1.000 26.887 0 231 ILE   AAA CA  1 ? 
ATOM   1539 C  C   . ILE   A 1 212 ? -9.354  -12.132 -4.527  1.000 27.722 0 231 ILE   AAA C   1 ? 
ATOM   1540 O  O   . ILE   A 1 212 ? -8.475  -12.027 -3.658  1.000 30.904 0 231 ILE   AAA O   1 ? 
ATOM   1541 C  CB  . ILE   A 1 212 ? -9.448  -14.396 -5.727  1.000 27.422 0 231 ILE   AAA CB  1 ? 
ATOM   1542 C  CG1 . ILE   A 1 212 ? -10.101 -15.783 -5.725  1.000 27.003 0 231 ILE   AAA CG1 1 ? 
ATOM   1543 C  CG2 . ILE   A 1 212 ? -7.957  -14.522 -5.429  1.000 28.614 0 231 ILE   AAA CG2 1 ? 
ATOM   1544 C  CD1 . ILE   A 1 212 ? -9.601  -16.721 -6.816  1.000 28.693 0 231 ILE   AAA CD1 1 ? 
ATOM   1545 N  N   . SER   A 1 213 ? -9.680  -11.141 -5.346  1.000 31.067 0 232 SER   AAA N   1 ? 
ATOM   1546 C  CA  . SER   A 1 213 ? -8.985  -9.859  -5.354  1.000 32.425 0 232 SER   AAA CA  1 ? 
ATOM   1547 C  C   . SER   A 1 213 ? -8.860  -9.280  -3.952  1.000 32.033 0 232 SER   AAA C   1 ? 
ATOM   1548 O  O   . SER   A 1 213 ? -7.808  -8.765  -3.603  1.000 32.914 0 232 SER   AAA O   1 ? 
ATOM   1549 C  CB  . SER   A 1 213 ? -9.670  -8.894  -6.303  1.000 32.459 0 232 SER   AAA CB  1 ? 
ATOM   1550 O  OG  . SER   A 1 213 ? -10.960 -8.520  -5.804  1.000 31.270 0 232 SER   AAA OG  1 ? 
ATOM   1551 N  N   . HIS   A 1 214 ? -9.913  -9.410  -3.132  1.000 28.943 0 233 HIS   AAA N   1 ? 
ATOM   1552 C  CA  . HIS   A 1 214 ? -9.945  -8.866  -1.790  1.000 29.996 0 233 HIS   AAA CA  1 ? 
ATOM   1553 C  C   . HIS   A 1 214 ? -8.857  -9.490  -0.911  1.000 32.867 0 233 HIS   AAA C   1 ? 
ATOM   1554 O  O   . HIS   A 1 214 ? -8.358  -8.841  0.003   1.000 28.485 0 233 HIS   AAA O   1 ? 
ATOM   1555 C  CB  . HIS   A 1 214 ? -11.302 -9.122  -1.133  1.000 31.246 0 233 HIS   AAA CB  1 ? 
ATOM   1556 C  CG  . HIS   A 1 214 ? -11.438 -8.523  0.229   1.000 33.991 0 233 HIS   AAA CG  1 ? 
ATOM   1557 N  ND1 . HIS   A 1 214 ? -11.553 -7.169  0.451   1.000 37.041 0 233 HIS   AAA ND1 1 ? 
ATOM   1558 C  CD2 . HIS   A 1 214 ? -11.388 -9.094  1.439   1.000 34.670 0 233 HIS   AAA CD2 1 ? 
ATOM   1559 C  CE1 . HIS   A 1 214 ? -11.603 -6.948  1.752   1.000 36.336 0 233 HIS   AAA CE1 1 ? 
ATOM   1560 N  NE2 . HIS   A 1 214 ? -11.507 -8.102  2.379   1.000 38.118 0 233 HIS   AAA NE2 1 ? 
ATOM   1561 N  N   . TYR   A 1 215 ? -8.493  -10.743 -1.210  1.000 32.699 0 234 TYR   AAA N   1 ? 
ATOM   1562 C  CA  . TYR   A 1 215 ? -7.645  -11.556 -0.339  1.000 31.177 0 234 TYR   AAA CA  1 ? 
ATOM   1563 C  C   . TYR   A 1 215 ? -6.211  -11.615 -0.838  1.000 30.209 0 234 TYR   AAA C   1 ? 
ATOM   1564 O  O   . TYR   A 1 215 ? -5.374  -12.268 -0.210  1.000 30.904 0 234 TYR   AAA O   1 ? 
ATOM   1565 C  CB  . TYR   A 1 215 ? -8.236  -12.960 -0.230  1.000 27.324 0 234 TYR   AAA CB  1 ? 
ATOM   1566 C  CG  . TYR   A 1 215 ? -9.554  -12.918 0.474   1.000 27.116 0 234 TYR   AAA CG  1 ? 
ATOM   1567 C  CD1 . TYR   A 1 215 ? -9.613  -12.788 1.854   1.000 30.306 0 234 TYR   AAA CD1 1 ? 
ATOM   1568 C  CD2 . TYR   A 1 215 ? -10.735 -12.834 -0.239  1.000 26.348 0 234 TYR   AAA CD2 1 ? 
ATOM   1569 C  CE1 . TYR   A 1 215 ? -10.825 -12.645 2.510   1.000 27.595 0 234 TYR   AAA CE1 1 ? 
ATOM   1570 C  CE2 . TYR   A 1 215 ? -11.953 -12.696 0.401   1.000 27.759 0 234 TYR   AAA CE2 1 ? 
ATOM   1571 C  CZ  . TYR   A 1 215 ? -11.995 -12.594 1.778   1.000 26.206 0 234 TYR   AAA CZ  1 ? 
ATOM   1572 O  OH  . TYR   A 1 215 ? -13.168 -12.428 2.426   1.000 27.048 0 234 TYR   AAA OH  1 ? 
ATOM   1573 N  N   . GLN   A 1 216 ? -5.932  -10.928 -1.941  1.000 31.656 0 235 GLN   AAA N   1 ? 
ATOM   1574 C  CA  . GLN   A 1 216 ? -4.628  -11.029 -2.579  1.000 33.894 0 235 GLN   AAA CA  1 ? 
ATOM   1575 C  C   . GLN   A 1 216 ? -3.516  -10.635 -1.604  1.000 31.522 0 235 GLN   AAA C   1 ? 
ATOM   1576 O  O   . GLN   A 1 216 ? -2.497  -11.322 -1.544  1.000 31.377 0 235 GLN   AAA O   1 ? 
ATOM   1577 C  CB  . GLN   A 1 216 ? -4.537  -10.185 -3.851  1.000 39.955 0 235 GLN   AAA CB  1 ? 
ATOM   1578 C  CG  . GLN   A 1 216 ? -3.335  -10.585 -4.692  1.000 46.553 0 235 GLN   AAA CG  1 ? 
ATOM   1579 C  CD  . GLN   A 1 216 ? -3.439  -12.054 -5.042  1.000 51.182 0 235 GLN   AAA CD  1 ? 
ATOM   1580 O  OE1 . GLN   A 1 216 ? -4.494  -12.514 -5.489  1.000 47.329 0 235 GLN   AAA OE1 1 ? 
ATOM   1581 N  NE2 . GLN   A 1 216 ? -2.374  -12.812 -4.794  1.000 48.772 0 235 GLN   AAA NE2 1 ? 
ATOM   1582 N  N   . PRO   A 1 217 ? -3.621  -9.549  -0.801  1.000 33.109 0 236 PRO   AAA N   1 ? 
ATOM   1583 C  CA  . PRO   A 1 217 ? -2.590  -9.256  0.198   1.000 35.457 0 236 PRO   AAA CA  1 ? 
ATOM   1584 C  C   . PRO   A 1 217 ? -2.340  -10.395 1.192   1.000 32.491 0 236 PRO   AAA C   1 ? 
ATOM   1585 O  O   . PRO   A 1 217 ? -1.187  -10.705 1.521   1.000 29.946 0 236 PRO   AAA O   1 ? 
ATOM   1586 C  CB  . PRO   A 1 217 ? -3.097  -7.966  0.880   1.000 34.959 0 236 PRO   AAA CB  1 ? 
ATOM   1587 C  CG  . PRO   A 1 217 ? -3.949  -7.329  -0.170  1.000 35.244 0 236 PRO   AAA CG  1 ? 
ATOM   1588 C  CD  . PRO   A 1 217 ? -4.641  -8.495  -0.850  1.000 34.820 0 236 PRO   AAA CD  1 ? 
ATOM   1589 N  N   . TRP   A 1 218 ? -3.420  -11.022 1.662   1.000 30.725 0 237 TRP   AAA N   1 ? 
ATOM   1590 C  CA  . TRP   A 1 218 ? -3.290  -12.109 2.619   1.000 31.343 0 237 TRP   AAA CA  1 ? 
ATOM   1591 C  C   . TRP   A 1 218 ? -2.646  -13.321 1.933   1.000 28.519 0 237 TRP   AAA C   1 ? 
ATOM   1592 O  O   . TRP   A 1 218 ? -1.749  -13.948 2.485   1.000 30.346 0 237 TRP   AAA O   1 ? 
ATOM   1593 C  CB  . TRP   A 1 218 ? -4.640  -12.452 3.248   1.000 29.943 0 237 TRP   AAA CB  1 ? 
ATOM   1594 C  CG  . TRP   A 1 218 ? -4.570  -13.702 4.081   1.000 30.964 0 237 TRP   AAA CG  1 ? 
ATOM   1595 C  CD1 . TRP   A 1 218 ? -4.115  -13.832 5.359   1.000 29.343 0 237 TRP   AAA CD1 1 ? 
ATOM   1596 C  CD2 . TRP   A 1 218 ? -4.930  -15.030 3.660   1.000 27.187 0 237 TRP   AAA CD2 1 ? 
ATOM   1597 N  NE1 . TRP   A 1 218 ? -4.187  -15.134 5.766   1.000 29.469 0 237 TRP   AAA NE1 1 ? 
ATOM   1598 C  CE2 . TRP   A 1 218 ? -4.667  -15.897 4.745   1.000 26.743 0 237 TRP   AAA CE2 1 ? 
ATOM   1599 C  CE3 . TRP   A 1 218 ? -5.365  -15.579 2.454   1.000 25.490 0 237 TRP   AAA CE3 1 ? 
ATOM   1600 C  CZ2 . TRP   A 1 218 ? -4.874  -17.268 4.670   1.000 28.659 0 237 TRP   AAA CZ2 1 ? 
ATOM   1601 C  CZ3 . TRP   A 1 218 ? -5.581  -16.938 2.386   1.000 26.322 0 237 TRP   AAA CZ3 1 ? 
ATOM   1602 C  CH2 . TRP   A 1 218 ? -5.367  -17.757 3.485   1.000 25.482 0 237 TRP   AAA CH2 1 ? 
ATOM   1603 N  N   . ILE   A 1 219 ? -3.053  -13.610 0.708   1.000 27.309 0 238 ILE   AAA N   1 ? 
ATOM   1604 C  CA  . ILE   A 1 219 ? -2.417  -14.697 -0.044  1.000 28.106 0 238 ILE   AAA CA  1 ? 
ATOM   1605 C  C   . ILE   A 1 219 ? -0.900  -14.474 -0.087  1.000 31.025 0 238 ILE   AAA C   1 ? 
ATOM   1606 O  O   . ILE   A 1 219 ? -0.107  -15.387 0.162   1.000 28.875 0 238 ILE   AAA O   1 ? 
ATOM   1607 C  CB  . ILE   A 1 219 ? -3.037  -14.871 -1.444  1.000 27.459 0 238 ILE   AAA CB  1 ? 
ATOM   1608 C  CG1 . ILE   A 1 219 ? -4.477  -15.390 -1.352  1.000 30.025 0 238 ILE   AAA CG1 1 ? 
ATOM   1609 C  CG2 . ILE   A 1 219 ? -2.182  -15.788 -2.311  1.000 26.966 0 238 ILE   AAA CG2 1 ? 
ATOM   1610 C  CD1 . ILE   A 1 219 ? -5.268  -15.302 -2.625  1.000 27.956 0 238 ILE   AAA CD1 1 ? 
ATOM   1611 N  N   . ASN   A 1 220 ? -0.489  -13.236 -0.412  1.000 33.454 0 239 ASN   AAA N   1 ? 
ATOM   1612 C  CA  . ASN   A 1 220 ? 0.918   -12.921 -0.603  1.000 34.641 0 239 ASN   AAA CA  1 ? 
ATOM   1613 C  C   . ASN   A 1 220 ? 1.678   -13.087 0.700   1.000 32.088 0 239 ASN   AAA C   1 ? 
ATOM   1614 O  O   . ASN   A 1 220 ? 2.797   -13.576 0.715   1.000 34.325 0 239 ASN   AAA O   1 ? 
ATOM   1615 C  CB  . ASN   A 1 220 ? 1.099   -11.511 -1.176  1.000 39.681 0 239 ASN   AAA CB  1 ? 
ATOM   1616 C  CG  . ASN   A 1 220 ? 0.686   -11.443 -2.626  1.000 41.394 0 239 ASN   AAA CG  1 ? 
ATOM   1617 O  OD1 . ASN   A 1 220 ? 0.691   -12.450 -3.311  1.000 48.456 0 239 ASN   AAA OD1 1 ? 
ATOM   1618 N  ND2 . ASN   A 1 220 ? 0.370   -10.258 -3.119  1.000 52.256 0 239 ASN   AAA ND2 1 ? 
ATOM   1619 N  N   . GLN   A 1 221 ? 1.066   -12.656 1.792   1.000 32.988 0 240 GLN   AAA N   1 ? 
ATOM   1620 C  CA  . GLN   A 1 221 ? 1.619   -12.756 3.130   1.000 35.457 0 240 GLN   AAA CA  1 ? 
ATOM   1621 C  C   . GLN   A 1 221 ? 1.911   -14.209 3.508   1.000 36.970 0 240 GLN   AAA C   1 ? 
ATOM   1622 O  O   . GLN   A 1 221 ? 3.000   -14.505 3.993   1.000 32.014 0 240 GLN   AAA O   1 ? 
ATOM   1623 C  CB  . GLN   A 1 221 ? 0.607   -12.111 4.070   1.000 41.089 0 240 GLN   AAA CB  1 ? 
ATOM   1624 C  CG  . GLN   A 1 221 ? 1.098   -11.829 5.474   1.000 49.922 0 240 GLN   AAA CG  1 ? 
ATOM   1625 C  CD  . GLN   A 1 221 ? 0.107   -10.936 6.188   1.000 61.842 0 240 GLN   AAA CD  1 ? 
ATOM   1626 O  OE1 . GLN   A 1 221 ? 0.413   -10.372 7.237   1.000 75.875 0 240 GLN   AAA OE1 1 ? 
ATOM   1627 N  NE2 . GLN   A 1 221 ? -1.081  -10.767 5.608   1.000 56.978 0 240 GLN   AAA NE2 1 ? 
ATOM   1628 N  N   . ILE   A 1 222 ? 0.946   -15.119 3.282   1.000 30.662 0 241 ILE   AAA N   1 ? 
ATOM   1629 C  CA  . ILE   A 1 222 ? 1.183   -16.524 3.570   1.000 30.430 0 241 ILE   AAA CA  1 ? 
ATOM   1630 C  C   . ILE   A 1 222 ? 2.340   -17.079 2.721   1.000 32.817 0 241 ILE   AAA C   1 ? 
ATOM   1631 O  O   . ILE   A 1 222 ? 3.229   -17.772 3.233   1.000 34.978 0 241 ILE   AAA O   1 ? 
ATOM   1632 C  CB  . ILE   A 1 222 ? -0.125  -17.330 3.374   1.000 30.551 0 241 ILE   AAA CB  1 ? 
ATOM   1633 C  CG1 . ILE   A 1 222 ? -1.259  -16.876 4.307   1.000 32.659 0 241 ILE   AAA CG1 1 ? 
ATOM   1634 C  CG2 . ILE   A 1 222 ? 0.156   -18.822 3.498   1.000 31.614 0 241 ILE   AAA CG2 1 ? 
ATOM   1635 C  CD1 . ILE   A 1 222 ? -1.005  -17.082 5.778   1.000 37.202 0 241 ILE   AAA CD1 1 ? 
ATOM   1636 N  N   . LEU   A 1 223 ? 2.311   -16.840 1.411   1.000 31.375 0 242 LEU   AAA N   1 ? 
ATOM   1637 C  CA  . LEU   A 1 223 ? 3.302   -17.398 0.515   1.000 33.107 0 242 LEU   AAA CA  1 ? 
ATOM   1638 C  C   . LEU   A 1 223 ? 4.696   -16.921 0.931   1.000 38.920 0 242 LEU   AAA C   1 ? 
ATOM   1639 O  O   . LEU   A 1 223 ? 5.629   -17.713 0.943   1.000 35.378 0 242 LEU   AAA O   1 ? 
ATOM   1640 C  CB  . LEU   A 1 223 ? 3.004   -17.007 -0.931  1.000 32.801 0 242 LEU   AAA CB  1 ? 
ATOM   1641 C  CG  . LEU   A 1 223 ? 1.737   -17.584 -1.566  1.000 35.483 0 242 LEU   AAA CG  1 ? 
ATOM   1642 C  CD1 . LEU   A 1 223 ? 1.578   -17.076 -2.988  1.000 35.967 0 242 LEU   AAA CD1 1 ? 
ATOM   1643 C  CD2 . LEU   A 1 223 ? 1.718   -19.111 -1.537  1.000 31.230 0 242 LEU   AAA CD2 1 ? 
ATOM   1644 N  N   . GLN   A 1 224 ? 4.841   -15.646 1.329   1.000 37.568 0 243 GLN   AAA N   1 ? 
ATOM   1645 C  CA  . GLN   A 1 224 ? 6.170   -15.096 1.619   1.000 40.044 0 243 GLN   AAA CA  1 ? 
ATOM   1646 C  C   . GLN   A 1 224 ? 6.721   -15.649 2.933   1.000 37.931 0 243 GLN   AAA C   1 ? 
ATOM   1647 O  O   . GLN   A 1 224 ? 7.923   -15.747 3.123   1.000 43.226 0 243 GLN   AAA O   1 ? 
ATOM   1648 C  CB  . GLN   A 1 224 ? 6.110   -13.564 1.619   1.000 49.098 0 243 GLN   AAA CB  1 ? 
ATOM   1649 C  CG  . GLN   A 1 224 ? 5.810   -12.988 0.233   1.000 58.091 0 243 GLN   AAA CG  1 ? 
ATOM   1650 C  CD  . GLN   A 1 224 ? 5.415   -11.524 0.252   1.000 73.659 0 243 GLN   AAA CD  1 ? 
ATOM   1651 O  OE1 . GLN   A 1 224 ? 5.725   -10.785 1.186   1.000 84.200 0 243 GLN   AAA OE1 1 ? 
ATOM   1652 N  NE2 . GLN   A 1 224 ? 4.742   -11.082 -0.802  1.000 75.891 0 243 GLN   AAA NE2 1 ? 
ATOM   1653 N  N   . ALA   A 1 225 ? 5.847   -16.042 3.855   1.000 36.573 0 244 ALA   AAA N   1 ? 
ATOM   1654 C  CA  . ALA   A 1 225 ? 6.274   -16.593 5.133   1.000 38.647 0 244 ALA   AAA CA  1 ? 
ATOM   1655 C  C   . ALA   A 1 225 ? 6.503   -18.107 5.053   1.000 38.763 0 244 ALA   AAA C   1 ? 
ATOM   1656 O  O   . ALA   A 1 225 ? 6.988   -18.713 6.006   1.000 43.060 0 244 ALA   AAA O   1 ? 
ATOM   1657 C  CB  . ALA   A 1 225 ? 5.237   -16.262 6.170   1.000 39.902 0 244 ALA   AAA CB  1 ? 
ATOM   1658 N  N   . ASN   A 1 226 ? 6.170   -18.735 3.923   1.000 34.938 0 245 ASN   AAA N   1 ? 
ATOM   1659 C  CA  . ASN   A 1 226 ? 6.178   -20.196 3.870   1.000 35.565 0 245 ASN   AAA CA  1 ? 
ATOM   1660 C  C   . ASN   A 1 226 ? 6.934   -20.678 2.624   1.000 38.128 0 245 ASN   AAA C   1 ? 
ATOM   1661 O  O   . ASN   A 1 226 ? 6.639   -21.776 2.146   1.000 35.196 0 245 ASN   AAA O   1 ? 
ATOM   1662 C  CB  . ASN   A 1 226 ? 4.750   -20.733 3.955   1.000 36.062 0 245 ASN   AAA CB  1 ? 
ATOM   1663 C  CG  . ASN   A 1 226 ? 4.175   -20.533 5.339   1.000 36.402 0 245 ASN   AAA CG  1 ? 
ATOM   1664 O  OD1 . ASN   A 1 226 ? 4.457   -21.329 6.224   1.000 42.142 0 245 ASN   AAA OD1 1 ? 
ATOM   1665 N  ND2 . ASN   A 1 226 ? 3.378   -19.489 5.544   1.000 37.947 0 245 ASN   AAA ND2 1 ? 
ATOM   1666 O  OXT . ASN   A 1 226 ? 7.881   -19.963 2.238   1.000 40.536 0 245 ASN   AAA OXT 1 ? 
HETATM 1667 C  C1  . NAG   B 2 .   ? -19.375 -15.251 12.854  1.000 36.723 0 1   NAG   AaA C1  1 ? 
HETATM 1668 C  C2  . NAG   B 2 .   ? -18.784 -14.882 14.219  1.000 40.105 0 1   NAG   AaA C2  1 ? 
HETATM 1669 C  C3  . NAG   B 2 .   ? -19.905 -14.647 15.234  1.000 38.776 0 1   NAG   AaA C3  1 ? 
HETATM 1670 C  C4  . NAG   B 2 .   ? -20.952 -13.707 14.638  1.000 38.741 0 1   NAG   AaA C4  1 ? 
HETATM 1671 C  C5  . NAG   B 2 .   ? -21.486 -14.287 13.328  1.000 38.147 0 1   NAG   AaA C5  1 ? 
HETATM 1672 C  C6  . NAG   B 2 .   ? -22.623 -13.500 12.690  1.000 37.652 0 1   NAG   AaA C6  1 ? 
HETATM 1673 C  C7  . NAG   B 2 .   ? -16.537 -15.783 14.660  1.000 62.797 0 1   NAG   AaA C7  1 ? 
HETATM 1674 C  C8  . NAG   B 2 .   ? -15.742 -16.741 15.495  1.000 64.171 0 1   NAG   AaA C8  1 ? 
HETATM 1675 N  N2  . NAG   B 2 .   ? -17.878 -15.922 14.672  1.000 48.072 0 1   NAG   AaA N2  1 ? 
HETATM 1676 O  O3  . NAG   B 2 .   ? -19.362 -14.133 16.454  1.000 39.357 0 1   NAG   AaA O3  1 ? 
HETATM 1677 O  O4  . NAG   B 2 .   ? -22.039 -13.589 15.543  1.000 40.413 0 1   NAG   AaA O4  1 ? 
HETATM 1678 O  O5  . NAG   B 2 .   ? -20.374 -14.344 12.402  1.000 39.263 0 1   NAG   AaA O5  1 ? 
HETATM 1679 O  O6  . NAG   B 2 .   ? -22.334 -12.104 12.439  1.000 37.486 0 1   NAG   AaA O6  1 ? 
HETATM 1680 O  O7  . NAG   B 2 .   ? -15.979 -14.923 13.984  1.000 70.572 0 1   NAG   AaA O7  1 ? 
HETATM 1681 C  C1  . NAG   B 2 .   ? -22.322 -12.226 15.851  1.000 41.037 0 2   NAG   AaA C1  1 ? 
HETATM 1682 C  C2  . NAG   B 2 .   ? -23.632 -12.256 16.645  1.000 40.013 0 2   NAG   AaA C2  1 ? 
HETATM 1683 C  C3  . NAG   B 2 .   ? -23.987 -10.842 17.099  1.000 40.955 0 2   NAG   AaA C3  1 ? 
HETATM 1684 C  C4  . NAG   B 2 .   ? -22.809 -10.185 17.820  1.000 41.150 0 2   NAG   AaA C4  1 ? 
HETATM 1685 C  C5  . NAG   B 2 .   ? -21.511 -10.312 17.021  1.000 40.039 0 2   NAG   AaA C5  1 ? 
HETATM 1686 C  C6  . NAG   B 2 .   ? -20.298 -9.894  17.817  1.000 42.652 0 2   NAG   AaA C6  1 ? 
HETATM 1687 C  C7  . NAG   B 2 .   ? -25.173 -14.094 15.978  1.000 46.134 0 2   NAG   AaA C7  1 ? 
HETATM 1688 C  C8  . NAG   B 2 .   ? -26.301 -14.451 15.054  1.000 43.795 0 2   NAG   AaA C8  1 ? 
HETATM 1689 N  N2  . NAG   B 2 .   ? -24.709 -12.839 15.866  1.000 41.634 0 2   NAG   AaA N2  1 ? 
HETATM 1690 O  O3  . NAG   B 2 .   ? -25.150 -10.929 17.922  1.000 35.896 0 2   NAG   AaA O3  1 ? 
HETATM 1691 O  O4  . NAG   B 2 .   ? -23.011 -8.777  17.928  1.000 36.923 0 2   NAG   AaA O4  1 ? 
HETATM 1692 O  O5  . NAG   B 2 .   ? -21.276 -11.674 16.629  1.000 37.170 0 2   NAG   AaA O5  1 ? 
HETATM 1693 O  O6  . NAG   B 2 .   ? -19.167 -9.825  16.924  1.000 50.688 0 2   NAG   AaA O6  1 ? 
HETATM 1694 O  O7  . NAG   B 2 .   ? -24.713 -14.898 16.795  1.000 44.690 0 2   NAG   AaA O7  1 ? 
HETATM 1695 C  C1  . BMA   B 2 .   ? -23.785 -8.411  19.063  1.000 39.255 0 3   BMA   AaA C1  1 ? 
HETATM 1696 C  C2  . BMA   B 2 .   ? -23.301 -7.062  19.497  1.000 38.507 0 3   BMA   AaA C2  1 ? 
HETATM 1697 C  C3  . BMA   B 2 .   ? -24.139 -6.589  20.666  1.000 39.007 0 3   BMA   AaA C3  1 ? 
HETATM 1698 C  C4  . BMA   B 2 .   ? -25.629 -6.608  20.297  1.000 39.489 0 3   BMA   AaA C4  1 ? 
HETATM 1699 C  C5  . BMA   B 2 .   ? -26.025 -8.038  19.861  1.000 37.362 0 3   BMA   AaA C5  1 ? 
HETATM 1700 C  C6  . BMA   B 2 .   ? -27.468 -8.185  19.409  1.000 39.389 0 3   BMA   AaA C6  1 ? 
HETATM 1701 O  O2  . BMA   B 2 .   ? -23.308 -6.139  18.403  1.000 34.430 0 3   BMA   AaA O2  1 ? 
HETATM 1702 O  O3  . BMA   B 2 .   ? -23.730 -5.271  21.039  1.000 38.697 0 3   BMA   AaA O3  1 ? 
HETATM 1703 O  O4  . BMA   B 2 .   ? -26.449 -6.198  21.408  1.000 35.688 0 3   BMA   AaA O4  1 ? 
HETATM 1704 O  O5  . BMA   B 2 .   ? -25.191 -8.388  18.738  1.000 40.302 0 3   BMA   AaA O5  1 ? 
HETATM 1705 O  O6  . BMA   B 2 .   ? -27.843 -9.567  19.295  1.000 43.908 0 3   BMA   AaA O6  1 ? 
HETATM 1706 C  C1  . MAN   B 2 .   ? -29.251 -9.818  19.239  1.000 43.479 0 4   MAN   AaA C1  1 ? 
HETATM 1707 C  C2  . MAN   B 2 .   ? -29.498 -11.335 19.278  1.000 44.442 0 4   MAN   AaA C2  1 ? 
HETATM 1708 C  C3  . MAN   B 2 .   ? -28.898 -11.970 18.039  1.000 43.524 0 4   MAN   AaA C3  1 ? 
HETATM 1709 C  C4  . MAN   B 2 .   ? -29.608 -11.413 16.828  1.000 43.279 0 4   MAN   AaA C4  1 ? 
HETATM 1710 C  C5  . MAN   B 2 .   ? -29.456 -9.892  16.782  1.000 44.145 0 4   MAN   AaA C5  1 ? 
HETATM 1711 C  C6  . MAN   B 2 .   ? -30.371 -9.294  15.737  1.000 45.082 0 4   MAN   AaA C6  1 ? 
HETATM 1712 O  O2  . MAN   B 2 .   ? -30.906 -11.594 19.393  1.000 38.965 0 4   MAN   AaA O2  1 ? 
HETATM 1713 O  O3  . MAN   B 2 .   ? -29.012 -13.394 18.059  1.000 44.511 0 4   MAN   AaA O3  1 ? 
HETATM 1714 O  O4  . MAN   B 2 .   ? -29.075 -11.951 15.631  1.000 42.589 0 4   MAN   AaA O4  1 ? 
HETATM 1715 O  O5  . MAN   B 2 .   ? -29.827 -9.270  18.044  1.000 40.307 0 4   MAN   AaA O5  1 ? 
HETATM 1716 O  O6  . MAN   B 2 .   ? -30.226 -7.898  15.742  1.000 40.834 0 4   MAN   AaA O6  1 ? 
HETATM 1717 C  C1  . NAG   C 3 .   ? -13.981 -43.582 -15.046 1.000 41.463 0 1   NAG   AbA C1  1 ? 
HETATM 1718 C  C2  . NAG   C 3 .   ? -14.963 -43.992 -16.137 1.000 46.948 0 1   NAG   AbA C2  1 ? 
HETATM 1719 C  C3  . NAG   C 3 .   ? -15.824 -45.164 -15.683 1.000 51.172 0 1   NAG   AbA C3  1 ? 
HETATM 1720 C  C4  . NAG   C 3 .   ? -14.968 -46.310 -15.162 1.000 48.885 0 1   NAG   AbA C4  1 ? 
HETATM 1721 C  C5  . NAG   C 3 .   ? -13.971 -45.782 -14.131 1.000 47.940 0 1   NAG   AbA C5  1 ? 
HETATM 1722 C  C6  . NAG   C 3 .   ? -12.986 -46.818 -13.672 1.000 46.737 0 1   NAG   AbA C6  1 ? 
HETATM 1723 C  C7  . NAG   C 3 .   ? -15.932 -42.138 -17.491 1.000 46.537 0 1   NAG   AbA C7  1 ? 
HETATM 1724 C  C8  . NAG   C 3 .   ? -14.774 -42.156 -18.449 1.000 48.656 0 1   NAG   AbA C8  1 ? 
HETATM 1725 N  N2  . NAG   C 3 .   ? -15.844 -42.886 -16.399 1.000 47.071 0 1   NAG   AbA N2  1 ? 
HETATM 1726 O  O3  . NAG   C 3 .   ? -16.633 -45.524 -16.796 1.000 52.906 0 1   NAG   AbA O3  1 ? 
HETATM 1727 O  O4  . NAG   C 3 .   ? -15.777 -47.255 -14.468 1.000 58.289 0 1   NAG   AbA O4  1 ? 
HETATM 1728 O  O5  . NAG   C 3 .   ? -13.200 -44.703 -14.689 1.000 43.900 0 1   NAG   AbA O5  1 ? 
HETATM 1729 O  O6  . NAG   C 3 .   ? -12.271 -47.277 -14.802 1.000 57.457 0 1   NAG   AbA O6  1 ? 
HETATM 1730 O  O7  . NAG   C 3 .   ? -16.908 -41.411 -17.640 1.000 51.177 0 1   NAG   AbA O7  1 ? 
HETATM 1731 C  C1  . NAG   C 3 .   ? -16.215 -48.413 -15.207 1.000 64.466 0 2   NAG   AbA C1  1 ? 
HETATM 1732 C  C2  . NAG   C 3 .   ? -16.430 -49.537 -14.186 1.000 72.301 0 2   NAG   AbA C2  1 ? 
HETATM 1733 C  C3  . NAG   C 3 .   ? -17.087 -50.733 -14.873 1.000 72.422 0 2   NAG   AbA C3  1 ? 
HETATM 1734 C  C4  . NAG   C 3 .   ? -18.356 -50.300 -15.592 1.000 70.601 0 2   NAG   AbA C4  1 ? 
HETATM 1735 C  C5  . NAG   C 3 .   ? -18.009 -49.220 -16.616 1.000 71.993 0 2   NAG   AbA C5  1 ? 
HETATM 1736 C  C6  . NAG   C 3 .   ? -19.240 -48.701 -17.331 1.000 74.959 0 2   NAG   AbA C6  1 ? 
HETATM 1737 C  C7  . NAG   C 3 .   ? -14.963 -49.691 -12.194 1.000 74.730 0 2   NAG   AbA C7  1 ? 
HETATM 1738 C  C8  . NAG   C 3 .   ? -13.769 -50.377 -11.599 1.000 72.869 0 2   NAG   AbA C8  1 ? 
HETATM 1739 N  N2  . NAG   C 3 .   ? -15.230 -49.962 -13.482 1.000 75.148 0 2   NAG   AbA N2  1 ? 
HETATM 1740 O  O3  . NAG   C 3 .   ? -17.366 -51.734 -13.906 1.000 75.901 0 2   NAG   AbA O3  1 ? 
HETATM 1741 O  O4  . NAG   C 3 .   ? -18.937 -51.436 -16.228 1.000 77.451 0 2   NAG   AbA O4  1 ? 
HETATM 1742 O  O5  . NAG   C 3 .   ? -17.388 -48.095 -15.945 1.000 64.452 0 2   NAG   AbA O5  1 ? 
HETATM 1743 O  O6  . NAG   C 3 .   ? -19.041 -47.427 -17.948 1.000 76.030 0 2   NAG   AbA O6  1 ? 
HETATM 1744 O  O7  . NAG   C 3 .   ? -15.637 -48.902 -11.535 1.000 73.572 0 2   NAG   AbA O7  1 ? 
HETATM 1745 N  N3  . A1IJ2 D 4 .   ? -25.136 -24.755 1.630   1.000 25.374 0 301 A1IJ2 AAA N3  1 ? 
HETATM 1746 C  C4  . A1IJ2 D 4 .   ? -24.414 -25.121 0.489   1.000 26.519 0 301 A1IJ2 AAA C4  1 ? 
HETATM 1747 C  C6  . A1IJ2 D 4 .   ? -25.679 -27.179 0.403   1.000 30.314 0 301 A1IJ2 AAA C6  1 ? 
HETATM 1748 C  C8  . A1IJ2 D 4 .   ? -23.977 -26.838 -1.328  1.000 28.101 0 301 A1IJ2 AAA C8  1 ? 
HETATM 1749 C  C10 . A1IJ2 D 4 .   ? -25.424 -25.533 -3.129  1.000 26.932 0 301 A1IJ2 AAA C10 1 ? 
HETATM 1750 C  C13 . A1IJ2 D 4 .   ? -23.000 -24.608 -4.119  1.000 24.650 0 301 A1IJ2 AAA C13 1 ? 
HETATM 1751 C  C20 . A1IJ2 D 4 .   ? -22.449 -26.829 -1.099  1.000 27.864 0 301 A1IJ2 AAA C20 1 ? 
HETATM 1752 C  C22 . A1IJ2 D 4 .   ? -24.904 -23.534 2.256   1.000 26.687 0 301 A1IJ2 AAA C22 1 ? 
HETATM 1753 C  C24 . A1IJ2 D 4 .   ? -25.658 -21.291 2.652   1.000 25.779 0 301 A1IJ2 AAA C24 1 ? 
HETATM 1754 C  C26 . A1IJ2 D 4 .   ? -23.614 -22.070 3.660   1.000 26.943 0 301 A1IJ2 AAA C26 1 ? 
HETATM 1755 F  F16 . A1IJ2 D 4 .   ? -21.857 -23.289 -5.676  1.000 30.027 0 301 A1IJ2 AAA F16 1 ? 
HETATM 1756 C  C14 . A1IJ2 D 4 .   ? -21.655 -24.106 -4.652  1.000 27.111 0 301 A1IJ2 AAA C14 1 ? 
HETATM 1757 F  F17 . A1IJ2 D 4 .   ? -20.919 -25.136 -5.049  1.000 29.640 0 301 A1IJ2 AAA F17 1 ? 
HETATM 1758 F  F15 . A1IJ2 D 4 .   ? -21.013 -23.465 -3.687  1.000 26.429 0 301 A1IJ2 AAA F15 1 ? 
HETATM 1759 C  C12 . A1IJ2 D 4 .   ? -24.188 -24.222 -4.722  1.000 27.248 0 301 A1IJ2 AAA C12 1 ? 
HETATM 1760 C  C11 . A1IJ2 D 4 .   ? -25.400 -24.687 -4.229  1.000 26.756 0 301 A1IJ2 AAA C11 1 ? 
HETATM 1761 C  C9  . A1IJ2 D 4 .   ? -24.240 -25.917 -2.521  1.000 26.803 0 301 A1IJ2 AAA C9  1 ? 
HETATM 1762 C  C18 . A1IJ2 D 4 .   ? -23.034 -25.454 -3.024  1.000 24.237 0 301 A1IJ2 AAA C18 1 ? 
HETATM 1763 C  C19 . A1IJ2 D 4 .   ? -21.849 -25.991 -2.227  1.000 27.569 0 301 A1IJ2 AAA C19 1 ? 
HETATM 1764 N  N5  . A1IJ2 D 4 .   ? -24.691 -26.349 -0.128  1.000 27.630 0 301 A1IJ2 AAA N5  1 ? 
HETATM 1765 O  O21 . A1IJ2 D 4 .   ? -23.557 -24.360 0.051   1.000 24.674 0 301 A1IJ2 AAA O21 1 ? 
HETATM 1766 O  O7  . A1IJ2 D 4 .   ? -25.901 -28.245 -0.159  1.000 32.067 0 301 A1IJ2 AAA O7  1 ? 
HETATM 1767 C  C1  . A1IJ2 D 4 .   ? -26.397 -26.805 1.534   1.000 28.335 0 301 A1IJ2 AAA C1  1 ? 
HETATM 1768 C  C33 . A1IJ2 D 4 .   ? -27.484 -27.702 2.143   1.000 34.962 0 301 A1IJ2 AAA C33 1 ? 
HETATM 1769 O  O34 . A1IJ2 D 4 .   ? -27.550 -28.901 1.801   1.000 36.599 0 301 A1IJ2 AAA O34 1 ? 
HETATM 1770 O  O35 . A1IJ2 D 4 .   ? -28.228 -27.185 2.995   1.000 35.238 0 301 A1IJ2 AAA O35 1 ? 
HETATM 1771 C  C2  . A1IJ2 D 4 .   ? -26.124 -25.590 2.140   1.000 28.672 0 301 A1IJ2 AAA C2  1 ? 
HETATM 1772 C  C23 . A1IJ2 D 4 .   ? -25.833 -22.526 2.057   1.000 24.890 0 301 A1IJ2 AAA C23 1 ? 
HETATM 1773 O  O30 . A1IJ2 D 4 .   ? -26.403 -20.151 2.620   1.000 27.269 0 301 A1IJ2 AAA O30 1 ? 
HETATM 1774 C  C29 . A1IJ2 D 4 .   ? -25.742 -19.253 3.397   1.000 29.572 0 301 A1IJ2 AAA C29 1 ? 
HETATM 1775 O  O31 . A1IJ2 D 4 .   ? -26.116 -18.104 3.607   1.000 30.617 0 301 A1IJ2 AAA O31 1 ? 
HETATM 1776 N  N28 . A1IJ2 D 4 .   ? -24.642 -19.809 3.885   1.000 27.759 0 301 A1IJ2 AAA N28 1 ? 
HETATM 1777 C  C32 . A1IJ2 D 4 .   ? -23.668 -19.143 4.769   1.000 31.925 0 301 A1IJ2 AAA C32 1 ? 
HETATM 1778 C  C25 . A1IJ2 D 4 .   ? -24.547 -21.062 3.455   1.000 28.295 0 301 A1IJ2 AAA C25 1 ? 
HETATM 1779 C  C27 . A1IJ2 D 4 .   ? -23.792 -23.313 3.059   1.000 27.224 0 301 A1IJ2 AAA C27 1 ? 
HETATM 1780 ZN ZN  . ZN    E 5 .   ? -4.891  -38.759 -18.854 1.000 27.620 0 302 ZN    AAA ZN  1 ? 
HETATM 1781 O  O   . HOH   F 6 .   ? 9.647   -22.389 -5.998  1.000 50.590 0 401 HOH   AAA O   1 ? 
HETATM 1782 O  O   . HOH   F 6 .   ? -7.920  -41.941 -15.435 1.000 43.760 0 402 HOH   AAA O   1 ? 
HETATM 1783 O  O   . HOH   F 6 .   ? -10.963 -6.559  -4.335  1.000 38.390 0 403 HOH   AAA O   1 ? 
HETATM 1784 O  O   . HOH   F 6 .   ? -11.140 -40.104 10.121  1.000 40.290 0 404 HOH   AAA O   1 ? 
HETATM 1785 O  O   . HOH   F 6 .   ? 4.116   -37.851 1.703   1.000 37.460 0 405 HOH   AAA O   1 ? 
HETATM 1786 O  O   . HOH   F 6 .   ? -18.380 -38.564 3.000   1.000 47.230 0 406 HOH   AAA O   1 ? 
HETATM 1787 O  O   . HOH   F 6 .   ? -16.190 -32.911 -23.483 1.000 59.420 0 407 HOH   AAA O   1 ? 
HETATM 1788 O  O   . HOH   F 6 .   ? -0.263  -41.605 -8.373  1.000 48.830 0 408 HOH   AAA O   1 ? 
HETATM 1789 O  O   . HOH   F 6 .   ? -14.715 -12.924 10.806  1.000 55.120 0 409 HOH   AAA O   1 ? 
HETATM 1790 O  O   . HOH   F 6 .   ? -21.776 -14.936 3.325   1.000 24.920 0 410 HOH   AAA O   1 ? 
HETATM 1791 O  O   . HOH   F 6 .   ? -29.122 -24.882 3.549   1.000 47.560 0 411 HOH   AAA O   1 ? 
HETATM 1792 O  O   . HOH   F 6 .   ? -29.680 -25.838 -10.704 1.000 35.370 0 412 HOH   AAA O   1 ? 
HETATM 1793 O  O   . HOH   F 6 .   ? -27.909 -33.093 -2.540  1.000 44.430 0 413 HOH   AAA O   1 ? 
HETATM 1794 O  O   . HOH   F 6 .   ? 9.436   -15.630 1.077   1.000 63.200 0 414 HOH   AAA O   1 ? 
HETATM 1795 O  O   . HOH   F 6 .   ? -30.833 -4.766  -10.330 1.000 50.340 0 415 HOH   AAA O   1 ? 
HETATM 1796 O  O   . HOH   F 6 .   ? -26.253 -22.105 -7.554  1.000 31.820 0 416 HOH   AAA O   1 ? 
HETATM 1797 O  O   . HOH   F 6 .   ? -17.582 -31.310 0.175   1.000 47.170 0 417 HOH   AAA O   1 ? 
HETATM 1798 O  O   . HOH   F 6 .   ? -24.366 -9.039  -14.421 1.000 65.160 0 418 HOH   AAA O   1 ? 
HETATM 1799 O  O   . HOH   F 6 .   ? -23.129 -37.421 -11.321 1.000 46.670 0 419 HOH   AAA O   1 ? 
HETATM 1800 O  O   . HOH   F 6 .   ? -31.710 -13.351 -15.085 1.000 40.390 0 420 HOH   AAA O   1 ? 
HETATM 1801 O  O   . HOH   F 6 .   ? -7.427  -39.135 -14.092 1.000 26.220 0 421 HOH   AAA O   1 ? 
HETATM 1802 O  O   . HOH   F 6 .   ? -17.349 -5.339  3.566   1.000 47.580 0 422 HOH   AAA O   1 ? 
HETATM 1803 O  O   . HOH   F 6 .   ? -29.506 -30.737 -1.674  1.000 45.270 0 423 HOH   AAA O   1 ? 
HETATM 1804 O  O   . HOH   F 6 .   ? -32.581 -16.866 -20.559 1.000 59.410 0 424 HOH   AAA O   1 ? 
HETATM 1805 O  O   . HOH   F 6 .   ? -5.010  -45.328 -16.224 1.000 40.390 0 425 HOH   AAA O   1 ? 
HETATM 1806 O  O   . HOH   F 6 .   ? -1.882  -35.491 3.633   1.000 31.260 0 426 HOH   AAA O   1 ? 
HETATM 1807 O  O   . HOH   F 6 .   ? 2.521   -38.430 -2.113  1.000 39.250 0 427 HOH   AAA O   1 ? 
HETATM 1808 O  O   . HOH   F 6 .   ? -20.197 -37.129 -14.775 1.000 39.770 0 428 HOH   AAA O   1 ? 
HETATM 1809 O  O   . HOH   F 6 .   ? 6.103   -21.499 -3.137  1.000 36.880 0 429 HOH   AAA O   1 ? 
HETATM 1810 O  O   . HOH   F 6 .   ? -2.807  -29.664 -20.442 1.000 31.730 0 430 HOH   AAA O   1 ? 
HETATM 1811 O  O   . HOH   F 6 .   ? -13.114 -6.016  -2.159  1.000 43.930 0 431 HOH   AAA O   1 ? 
HETATM 1812 O  O   . HOH   F 6 .   ? -8.096  -16.643 13.748  1.000 53.240 0 432 HOH   AAA O   1 ? 
HETATM 1813 O  O   . HOH   F 6 .   ? -17.976 -36.960 6.514   1.000 51.760 0 433 HOH   AAA O   1 ? 
HETATM 1814 O  O   . HOH   F 6 .   ? -11.732 -19.023 11.664  1.000 48.450 0 434 HOH   AAA O   1 ? 
HETATM 1815 O  O   . HOH   F 6 .   ? -30.725 -21.196 -21.734 1.000 61.090 0 435 HOH   AAA O   1 ? 
HETATM 1816 O  O   . HOH   F 6 .   ? -11.140 -26.571 -20.358 1.000 60.550 0 436 HOH   AAA O   1 ? 
HETATM 1817 O  O   . HOH   F 6 .   ? -8.115  -22.454 -17.979 1.000 37.590 0 437 HOH   AAA O   1 ? 
HETATM 1818 O  O   . HOH   F 6 .   ? 4.913   -12.946 4.911   1.000 48.210 0 438 HOH   AAA O   1 ? 
HETATM 1819 O  O   . HOH   F 6 .   ? -12.556 -24.344 -12.072 1.000 61.590 0 439 HOH   AAA O   1 ? 
HETATM 1820 O  O   . HOH   F 6 .   ? -4.333  -30.900 -12.364 1.000 24.620 0 440 HOH   AAA O   1 ? 
HETATM 1821 O  O   . HOH   F 6 .   ? -19.514 -24.157 8.180   1.000 36.140 0 441 HOH   AAA O   1 ? 
HETATM 1822 O  O   . HOH   F 6 .   ? -18.236 -17.232 1.268   1.000 27.040 0 442 HOH   AAA O   1 ? 
HETATM 1823 O  O   . HOH   F 6 .   ? 10.166  -29.693 -3.509  1.000 37.270 0 443 HOH   AAA O   1 ? 
HETATM 1824 O  O   . HOH   F 6 .   ? -33.165 -15.762 2.745   1.000 42.020 0 444 HOH   AAA O   1 ? 
HETATM 1825 O  O   . HOH   F 6 .   ? 5.523   -17.340 -4.313  1.000 43.730 0 445 HOH   AAA O   1 ? 
HETATM 1826 O  O   . HOH   F 6 .   ? -25.526 -15.513 3.568   1.000 27.010 0 446 HOH   AAA O   1 ? 
HETATM 1827 O  O   . HOH   F 6 .   ? 2.995   -41.741 -19.168 1.000 23.970 0 447 HOH   AAA O   1 ? 
HETATM 1828 O  O   . HOH   F 6 .   ? -13.707 -24.628 12.371  1.000 50.830 0 448 HOH   AAA O   1 ? 
HETATM 1829 O  O   . HOH   F 6 .   ? 4.798   -35.115 -7.551  1.000 26.350 0 449 HOH   AAA O   1 ? 
HETATM 1830 O  O   . HOH   F 6 .   ? 0.774   -8.893  1.399   1.000 41.940 0 450 HOH   AAA O   1 ? 
HETATM 1831 O  O   . HOH   F 6 .   ? -5.060  -10.824 -7.482  1.000 54.290 0 451 HOH   AAA O   1 ? 
HETATM 1832 O  O   . HOH   F 6 .   ? -26.988 -20.316 -14.023 1.000 30.100 0 452 HOH   AAA O   1 ? 
HETATM 1833 O  O   . HOH   F 6 .   ? -33.509 -9.535  -0.355  1.000 40.430 0 453 HOH   AAA O   1 ? 
HETATM 1834 O  O   . HOH   F 6 .   ? -12.629 -38.575 7.351   1.000 30.610 0 454 HOH   AAA O   1 ? 
HETATM 1835 O  O   . HOH   F 6 .   ? -8.936  -40.829 -6.635  1.000 51.540 0 455 HOH   AAA O   1 ? 
HETATM 1836 O  O   . HOH   F 6 .   ? -29.752 -18.735 -5.274  1.000 26.690 0 456 HOH   AAA O   1 ? 
HETATM 1837 O  O   . HOH   F 6 .   ? -11.457 -11.466 -7.802  1.000 28.670 0 457 HOH   AAA O   1 ? 
HETATM 1838 O  O   . HOH   F 6 .   ? -18.982 -32.182 -11.641 1.000 25.550 0 458 HOH   AAA O   1 ? 
HETATM 1839 O  O   . HOH   F 6 .   ? 8.752   -26.095 2.688   1.000 60.450 0 459 HOH   AAA O   1 ? 
HETATM 1840 O  O   . HOH   F 6 .   ? -32.794 -19.704 -9.696  1.000 37.850 0 460 HOH   AAA O   1 ? 
HETATM 1841 O  O   . HOH   F 6 .   ? -1.476  -23.357 9.724   1.000 50.240 0 461 HOH   AAA O   1 ? 
HETATM 1842 O  O   . HOH   F 6 .   ? -3.841  -19.227 8.297   1.000 37.060 0 462 HOH   AAA O   1 ? 
HETATM 1843 O  O   . HOH   F 6 .   ? -16.704 -24.705 8.206   1.000 37.530 0 463 HOH   AAA O   1 ? 
HETATM 1844 O  O   . HOH   F 6 .   ? -22.569 -22.077 -8.859  1.000 34.650 0 464 HOH   AAA O   1 ? 
HETATM 1845 O  O   . HOH   F 6 .   ? -26.066 -31.799 -14.786 1.000 36.110 0 465 HOH   AAA O   1 ? 
HETATM 1846 O  O   . HOH   F 6 .   ? -27.584 -21.428 -5.209  1.000 25.760 0 466 HOH   AAA O   1 ? 
HETATM 1847 O  O   . HOH   F 6 .   ? -26.744 -26.599 -19.540 1.000 44.560 0 467 HOH   AAA O   1 ? 
HETATM 1848 O  O   . HOH   F 6 .   ? -15.915 -16.011 1.006   1.000 27.380 0 468 HOH   AAA O   1 ? 
HETATM 1849 O  O   . HOH   F 6 .   ? -5.657  -37.015 9.777   1.000 38.460 0 469 HOH   AAA O   1 ? 
HETATM 1850 O  O   . HOH   F 6 .   ? -12.128 -40.258 -4.472  1.000 37.320 0 470 HOH   AAA O   1 ? 
HETATM 1851 O  O   . HOH   F 6 .   ? -19.588 -26.213 -20.678 1.000 45.860 0 471 HOH   AAA O   1 ? 
HETATM 1852 O  O   . HOH   F 6 .   ? -18.785 -36.553 -22.077 1.000 49.050 0 472 HOH   AAA O   1 ? 
HETATM 1853 O  O   . HOH   F 6 .   ? -6.051  -19.662 -17.747 1.000 52.410 0 473 HOH   AAA O   1 ? 
HETATM 1854 O  O   . HOH   F 6 .   ? -14.021 -35.638 6.030   1.000 58.810 0 474 HOH   AAA O   1 ? 
HETATM 1855 O  O   . HOH   F 6 .   ? 1.607   -34.893 -13.893 1.000 24.070 0 475 HOH   AAA O   1 ? 
HETATM 1856 O  O   . HOH   F 6 .   ? -9.407  -19.667 10.650  1.000 34.510 0 476 HOH   AAA O   1 ? 
HETATM 1857 O  O   . HOH   F 6 .   ? -21.875 -33.461 -18.656 1.000 68.320 0 477 HOH   AAA O   1 ? 
HETATM 1858 O  O   . HOH   F 6 .   ? -4.878  -30.556 11.104  1.000 37.300 0 478 HOH   AAA O   1 ? 
HETATM 1859 O  O   . HOH   F 6 .   ? -6.704  -37.224 2.694   1.000 33.960 0 479 HOH   AAA O   1 ? 
HETATM 1860 O  O   . HOH   F 6 .   ? 2.517   -46.615 -15.535 1.000 24.150 0 480 HOH   AAA O   1 ? 
HETATM 1861 O  O   . HOH   F 6 .   ? -13.829 -27.565 7.962   1.000 39.650 0 481 HOH   AAA O   1 ? 
HETATM 1862 O  O   . HOH   F 6 .   ? -16.218 -29.122 -21.949 1.000 46.850 0 482 HOH   AAA O   1 ? 
HETATM 1863 O  O   . HOH   F 6 .   ? -4.934  -37.407 4.870   1.000 37.050 0 483 HOH   AAA O   1 ? 
HETATM 1864 O  O   . HOH   F 6 .   ? -12.825 -8.841  -7.776  1.000 34.460 0 484 HOH   AAA O   1 ? 
HETATM 1865 O  O   . HOH   F 6 .   ? -6.707  -39.690 -5.430  1.000 45.400 0 485 HOH   AAA O   1 ? 
HETATM 1866 O  O   . HOH   F 6 .   ? -19.392 -29.110 -1.196  1.000 38.280 0 486 HOH   AAA O   1 ? 
HETATM 1867 O  O   . HOH   F 6 .   ? -11.839 -42.458 2.495   1.000 38.920 0 487 HOH   AAA O   1 ? 
HETATM 1868 O  O   . HOH   F 6 .   ? -11.325 -34.007 13.146  1.000 48.470 0 488 HOH   AAA O   1 ? 
HETATM 1869 O  O   . HOH   F 6 .   ? -14.350 -30.381 -7.433  1.000 25.680 0 489 HOH   AAA O   1 ? 
HETATM 1870 O  O   . HOH   F 6 .   ? -5.940  -31.230 -22.656 1.000 34.590 0 490 HOH   AAA O   1 ? 
HETATM 1871 O  O   . HOH   F 6 .   ? -17.018 -9.801  7.825   1.000 44.890 0 491 HOH   AAA O   1 ? 
HETATM 1872 O  O   . HOH   F 6 .   ? -6.686  -36.432 -3.316  1.000 24.760 0 492 HOH   AAA O   1 ? 
HETATM 1873 O  O   . HOH   F 6 .   ? -4.741  -32.704 -15.721 1.000 24.580 0 493 HOH   AAA O   1 ? 
HETATM 1874 O  O   . HOH   F 6 .   ? -6.541  -34.929 -23.298 1.000 41.180 0 494 HOH   AAA O   1 ? 
HETATM 1875 O  O   . HOH   F 6 .   ? -22.156 -31.297 -15.584 1.000 32.060 0 495 HOH   AAA O   1 ? 
HETATM 1876 O  O   . HOH   F 6 .   ? -20.818 -24.496 1.194   1.000 27.220 0 496 HOH   AAA O   1 ? 
HETATM 1877 O  O   . HOH   F 6 .   ? -13.204 -24.962 8.273   1.000 31.570 0 497 HOH   AAA O   1 ? 
HETATM 1878 O  O   . HOH   F 6 .   ? -12.303 -7.544  4.963   1.000 45.040 0 498 HOH   AAA O   1 ? 
HETATM 1879 O  O   . HOH   F 6 .   ? -14.213 -27.546 -7.994  1.000 23.350 0 499 HOH   AAA O   1 ? 
HETATM 1880 O  O   . HOH   F 6 .   ? 9.335   -28.571 -0.194  1.000 51.030 0 500 HOH   AAA O   1 ? 
HETATM 1881 O  O   . HOH   F 6 .   ? -20.975 -10.405 -8.413  1.000 28.240 0 501 HOH   AAA O   1 ? 
HETATM 1882 O  O   . HOH   F 6 .   ? -23.261 -29.237 1.293   1.000 35.260 0 502 HOH   AAA O   1 ? 
HETATM 1883 O  O   . HOH   F 6 .   ? -9.684  -34.195 14.788  1.000 56.680 0 503 HOH   AAA O   1 ? 
HETATM 1884 O  O   . HOH   F 6 .   ? -26.881 -16.316 6.319   1.000 51.450 0 504 HOH   AAA O   1 ? 
HETATM 1885 O  O   . HOH   F 6 .   ? -13.828 -31.333 7.717   1.000 50.330 0 505 HOH   AAA O   1 ? 
HETATM 1886 O  O   . HOH   F 6 .   ? -18.059 -12.350 -20.797 1.000 49.620 0 506 HOH   AAA O   1 ? 
HETATM 1887 O  O   . HOH   F 6 .   ? -6.643  -31.783 -13.783 1.000 24.460 0 507 HOH   AAA O   1 ? 
HETATM 1888 O  O   . HOH   F 6 .   ? -7.088  -38.854 -2.314  1.000 36.320 0 508 HOH   AAA O   1 ? 
HETATM 1889 O  O   . HOH   F 6 .   ? -1.852  -23.941 -15.811 1.000 33.320 0 509 HOH   AAA O   1 ? 
HETATM 1890 O  O   . HOH   F 6 .   ? -20.854 -9.451  -5.932  1.000 25.980 0 510 HOH   AAA O   1 ? 
HETATM 1891 O  O   . HOH   F 6 .   ? -31.474 -9.969  6.928   1.000 35.980 0 511 HOH   AAA O   1 ? 
HETATM 1892 O  O   . HOH   F 6 .   ? -17.017 -29.668 -2.102  1.000 49.050 0 512 HOH   AAA O   1 ? 
HETATM 1893 O  O   . HOH   F 6 .   ? -27.614 -12.093 8.910   1.000 47.100 0 513 HOH   AAA O   1 ? 
HETATM 1894 O  O   . HOH   F 6 .   ? 5.982   -22.428 -8.082  1.000 34.360 0 514 HOH   AAA O   1 ? 
HETATM 1895 O  O   . HOH   F 6 .   ? -0.223  -44.771 -13.477 1.000 37.420 0 515 HOH   AAA O   1 ? 
HETATM 1896 O  O   . HOH   F 6 .   ? -11.958 -42.502 -0.351  1.000 38.290 0 516 HOH   AAA O   1 ? 
HETATM 1897 O  O   . HOH   F 6 .   ? -15.745 -13.529 2.064   1.000 30.540 0 517 HOH   AAA O   1 ? 
HETATM 1898 O  O   . HOH   F 6 .   ? -29.193 -32.669 -12.956 1.000 49.000 0 518 HOH   AAA O   1 ? 
HETATM 1899 O  O   . HOH   F 6 .   ? -6.355  -33.045 -10.519 1.000 24.240 0 519 HOH   AAA O   1 ? 
HETATM 1900 O  O   . HOH   F 6 .   ? -24.431 -20.864 -9.613  1.000 33.500 0 520 HOH   AAA O   1 ? 
HETATM 1901 O  O   . HOH   F 6 .   ? 7.005   -27.420 0.224   1.000 31.610 0 521 HOH   AAA O   1 ? 
HETATM 1902 O  O   . HOH   F 6 .   ? -16.517 -19.160 12.955  1.000 46.210 0 522 HOH   AAA O   1 ? 
HETATM 1903 O  O   . HOH   F 6 .   ? 6.346   -36.321 -10.108 1.000 43.190 0 523 HOH   AAA O   1 ? 
HETATM 1904 O  O   . HOH   F 6 .   ? -10.356 -11.633 -15.291 1.000 45.710 0 524 HOH   AAA O   1 ? 
HETATM 1905 O  O   . HOH   F 6 .   ? -7.225  -46.246 -9.806  1.000 51.520 0 525 HOH   AAA O   1 ? 
HETATM 1906 O  O   . HOH   F 6 .   ? 0.398   -27.478 -18.456 1.000 35.520 0 526 HOH   AAA O   1 ? 
HETATM 1907 O  O   . HOH   F 6 .   ? 0.868   -41.325 -11.287 1.000 28.750 0 527 HOH   AAA O   1 ? 
HETATM 1908 O  O   . HOH   F 6 .   ? -27.306 -9.099  -12.851 1.000 30.700 0 528 HOH   AAA O   1 ? 
HETATM 1909 O  O   . HOH   F 6 .   ? -12.260 -28.585 -21.736 1.000 46.110 0 529 HOH   AAA O   1 ? 
HETATM 1910 O  O   . HOH   F 6 .   ? -31.645 -13.721 -7.929  1.000 24.360 0 530 HOH   AAA O   1 ? 
HETATM 1911 O  O   . HOH   F 6 .   ? -7.658  -27.310 9.513   1.000 35.250 0 531 HOH   AAA O   1 ? 
HETATM 1912 O  O   . HOH   F 6 .   ? -19.683 -39.906 -13.088 1.000 43.260 0 532 HOH   AAA O   1 ? 
HETATM 1913 O  O   . HOH   F 6 .   ? -32.824 -24.573 -0.842  1.000 32.450 0 533 HOH   AAA O   1 ? 
HETATM 1914 O  O   . HOH   F 6 .   ? -7.793  -30.712 -16.368 1.000 24.340 0 534 HOH   AAA O   1 ? 
HETATM 1915 O  O   . HOH   F 6 .   ? -19.503 -40.802 -7.334  1.000 42.070 0 535 HOH   AAA O   1 ? 
HETATM 1916 O  O   . HOH   F 6 .   ? -11.268 -40.622 6.051   1.000 34.860 0 536 HOH   AAA O   1 ? 
HETATM 1917 O  O   . HOH   F 6 .   ? -5.339  -16.259 -12.378 1.000 39.400 0 537 HOH   AAA O   1 ? 
HETATM 1918 O  O   . HOH   F 6 .   ? 1.275   -39.887 -7.102  1.000 30.440 0 538 HOH   AAA O   1 ? 
HETATM 1919 O  O   . HOH   F 6 .   ? 3.162   -37.119 -14.329 1.000 29.830 0 539 HOH   AAA O   1 ? 
HETATM 1920 O  O   . HOH   F 6 .   ? -7.564  -10.579 4.182   1.000 36.100 0 540 HOH   AAA O   1 ? 
HETATM 1921 O  O   . HOH   F 6 .   ? 3.364   -32.890 -1.402  1.000 44.300 0 541 HOH   AAA O   1 ? 
HETATM 1922 O  O   . HOH   F 6 .   ? 3.551   -23.534 -13.908 1.000 34.040 0 542 HOH   AAA O   1 ? 
HETATM 1923 O  O   . HOH   F 6 .   ? -23.134 -22.086 7.478   1.000 43.620 0 543 HOH   AAA O   1 ? 
HETATM 1924 O  O   . HOH   F 6 .   ? -8.973  -33.224 -16.441 1.000 24.490 0 544 HOH   AAA O   1 ? 
HETATM 1925 O  O   . HOH   F 6 .   ? -16.861 -27.068 6.927   1.000 37.400 0 545 HOH   AAA O   1 ? 
HETATM 1926 O  O   . HOH   F 6 .   ? -19.986 -34.032 -21.515 1.000 49.030 0 546 HOH   AAA O   1 ? 
HETATM 1927 O  O   . HOH   F 6 .   ? -6.070  -7.204  -5.334  1.000 45.840 0 547 HOH   AAA O   1 ? 
HETATM 1928 O  O   . HOH   F 6 .   ? 1.240   -33.632 6.881   1.000 27.510 0 548 HOH   AAA O   1 ? 
HETATM 1929 O  O   . HOH   F 6 .   ? 6.711   -33.919 -6.195  1.000 32.220 0 549 HOH   AAA O   1 ? 
HETATM 1930 O  O   . HOH   F 6 .   ? -12.110 -18.224 -18.421 1.000 39.240 0 550 HOH   AAA O   1 ? 
HETATM 1931 O  O   . HOH   F 6 .   ? 2.021   -18.163 7.759   1.000 47.050 0 551 HOH   AAA O   1 ? 
HETATM 1932 O  O   . HOH   F 6 .   ? -11.729 -21.235 -18.312 1.000 37.540 0 552 HOH   AAA O   1 ? 
HETATM 1933 O  O   . HOH   F 6 .   ? 3.589   -36.134 -0.788  1.000 33.580 0 553 HOH   AAA O   1 ? 
HETATM 1934 O  O   . HOH   F 6 .   ? -5.230  -22.605 9.566   1.000 43.010 0 554 HOH   AAA O   1 ? 
HETATM 1935 O  O   . HOH   F 6 .   ? -29.124 -16.169 4.694   1.000 32.390 0 555 HOH   AAA O   1 ? 
HETATM 1936 O  O   . HOH   F 6 .   ? -25.295 -18.473 -15.455 1.000 29.530 0 556 HOH   AAA O   1 ? 
HETATM 1937 O  O   . HOH   F 6 .   ? -32.187 -11.945 -4.128  1.000 29.280 0 557 HOH   AAA O   1 ? 
HETATM 1938 O  O   . HOH   F 6 .   ? 7.480   -31.853 5.622   1.000 37.630 0 558 HOH   AAA O   1 ? 
HETATM 1939 O  O   . HOH   F 6 .   ? -10.587 -9.100  4.988   1.000 43.990 0 559 HOH   AAA O   1 ? 
HETATM 1940 O  O   . HOH   F 6 .   ? -17.419 -24.086 -20.252 1.000 55.440 0 560 HOH   AAA O   1 ? 
HETATM 1941 O  O   . HOH   F 6 .   ? 3.226   -27.242 -16.600 1.000 32.290 0 561 HOH   AAA O   1 ? 
HETATM 1942 O  O   . HOH   F 6 .   ? -31.952 -14.990 -18.954 1.000 45.190 0 562 HOH   AAA O   1 ? 
HETATM 1943 O  O   . HOH   F 6 .   ? -14.376 -16.427 -19.259 1.000 43.380 0 563 HOH   AAA O   1 ? 
HETATM 1944 O  O   . HOH   F 6 .   ? 1.202   -34.653 -18.740 1.000 26.710 0 564 HOH   AAA O   1 ? 
HETATM 1945 O  O   . HOH   F 6 .   ? -20.189 -40.719 -11.142 1.000 54.940 0 565 HOH   AAA O   1 ? 
HETATM 1946 O  O   . HOH   F 6 .   ? -8.771  -39.783 -17.010 1.000 28.860 0 566 HOH   AAA O   1 ? 
HETATM 1947 O  O   . HOH   F 6 .   ? -29.303 -12.053 -16.218 1.000 42.280 0 567 HOH   AAA O   1 ? 
HETATM 1948 O  O   . HOH   F 6 .   ? -20.069 -35.934 -18.868 1.000 44.970 0 568 HOH   AAA O   1 ? 
HETATM 1949 O  O   . HOH   F 6 .   ? -18.871 -8.366  -8.981  1.000 33.960 0 569 HOH   AAA O   1 ? 
HETATM 1950 O  O   . HOH   F 6 .   ? -33.077 -22.436 -12.045 1.000 53.550 0 570 HOH   AAA O   1 ? 
HETATM 1951 O  O   . HOH   F 6 .   ? -6.196  -9.519  1.977   1.000 39.470 0 571 HOH   AAA O   1 ? 
HETATM 1952 O  O   . HOH   F 6 .   ? -14.452 -33.122 -5.210  1.000 38.480 0 572 HOH   AAA O   1 ? 
HETATM 1953 O  O   . HOH   F 6 .   ? -23.140 -9.037  4.733   1.000 39.270 0 573 HOH   AAA O   1 ? 
HETATM 1954 O  O   . HOH   F 6 .   ? -21.685 -24.092 -20.048 1.000 33.620 0 574 HOH   AAA O   1 ? 
HETATM 1955 O  O   . HOH   F 6 .   ? -29.993 -23.733 1.332   1.000 36.730 0 575 HOH   AAA O   1 ? 
HETATM 1956 O  O   . HOH   F 6 .   ? -21.188 -4.808  2.684   1.000 53.250 0 576 HOH   AAA O   1 ? 
HETATM 1957 O  O   . HOH   F 6 .   ? 3.530   -37.074 -6.107  1.000 38.830 0 577 HOH   AAA O   1 ? 
HETATM 1958 O  O   . HOH   F 6 .   ? -17.933 -34.622 0.116   1.000 31.670 0 578 HOH   AAA O   1 ? 
HETATM 1959 O  O   . HOH   F 6 .   ? 4.116   -33.984 -19.969 1.000 32.720 0 579 HOH   AAA O   1 ? 
HETATM 1960 O  O   . HOH   F 6 .   ? -31.084 -34.713 -9.324  1.000 39.010 0 580 HOH   AAA O   1 ? 
HETATM 1961 O  O   . HOH   F 6 .   ? -30.720 -30.885 -9.806  1.000 36.260 0 581 HOH   AAA O   1 ? 
HETATM 1962 O  O   . HOH   F 6 .   ? -27.047 -16.187 -18.772 1.000 32.840 0 582 HOH   AAA O   1 ? 
HETATM 1963 O  O   . HOH   F 6 .   ? -20.464 -37.652 -4.054  1.000 58.250 0 583 HOH   AAA O   1 ? 
HETATM 1964 O  O   . HOH   F 6 .   ? -22.943 -5.789  0.223   1.000 26.860 0 584 HOH   AAA O   1 ? 
HETATM 1965 O  O   . HOH   F 6 .   ? -2.991  -15.818 8.585   1.000 40.680 0 585 HOH   AAA O   1 ? 
HETATM 1966 O  O   . HOH   F 6 .   ? -3.050  -31.461 13.721  1.000 49.800 0 586 HOH   AAA O   1 ? 
HETATM 1967 O  O   . HOH   F 6 .   ? -27.085 -20.945 -21.105 1.000 53.070 0 587 HOH   AAA O   1 ? 
HETATM 1968 O  O   . HOH   F 6 .   ? -23.010 -26.739 2.962   1.000 39.400 0 588 HOH   AAA O   1 ? 
HETATM 1969 O  O   . HOH   F 6 .   ? -26.778 -2.217  -9.295  1.000 55.800 0 589 HOH   AAA O   1 ? 
HETATM 1970 O  O   . HOH   F 6 .   ? -6.837  -20.121 11.099  1.000 55.860 0 590 HOH   AAA O   1 ? 
HETATM 1971 O  O   . HOH   F 6 .   ? -25.435 -18.084 -18.174 1.000 40.420 0 591 HOH   AAA O   1 ? 
HETATM 1972 O  O   . HOH   F 6 .   ? -7.574  -39.829 2.245   1.000 38.630 0 592 HOH   AAA O   1 ? 
HETATM 1973 O  O   . HOH   F 6 .   ? -9.237  -43.756 -7.037  1.000 63.920 0 593 HOH   AAA O   1 ? 
HETATM 1974 O  O   . HOH   F 6 .   ? -24.603 -3.217  -8.594  1.000 53.350 0 594 HOH   AAA O   1 ? 
HETATM 1975 O  O   . HOH   F 6 .   ? -4.967  -37.793 12.727  1.000 40.160 0 595 HOH   AAA O   1 ? 
HETATM 1976 O  O   . HOH   F 6 .   ? -8.821  -38.648 16.916  1.000 47.230 0 596 HOH   AAA O   1 ? 
HETATM 1977 O  O   . HOH   F 6 .   ? -30.406 -23.900 -18.328 1.000 56.210 0 597 HOH   AAA O   1 ? 
HETATM 1978 O  O   . HOH   F 6 .   ? -16.322 -34.081 -5.250  1.000 42.940 0 598 HOH   AAA O   1 ? 
HETATM 1979 O  O   . HOH   F 6 .   ? -32.516 -22.448 0.531   1.000 47.160 0 599 HOH   AAA O   1 ? 
HETATM 1980 O  O   . HOH   F 6 .   ? -29.519 -21.010 1.438   1.000 44.750 0 600 HOH   AAA O   1 ? 
HETATM 1981 O  O   . HOH   F 6 .   ? -17.178 -12.518 10.291  1.000 56.680 0 601 HOH   AAA O   1 ? 
HETATM 1982 O  O   . HOH   F 6 .   ? -9.492  -28.159 11.009  1.000 52.710 0 602 HOH   AAA O   1 ? 
HETATM 1983 O  O   . HOH   F 6 .   ? -1.380  -35.113 6.253   1.000 28.950 0 603 HOH   AAA O   1 ? 
HETATM 1984 O  O   . HOH   F 6 .   ? -7.731  -24.968 9.547   1.000 57.280 0 604 HOH   AAA O   1 ? 
HETATM 1985 O  O   . HOH   F 6 .   ? -12.317 -42.119 -6.392  1.000 51.020 0 605 HOH   AAA O   1 ? 
HETATM 1986 O  O   . HOH   F 6 .   ? -5.127  -27.778 10.502  1.000 41.910 0 606 HOH   AAA O   1 ? 
HETATM 1987 O  O   . HOH   F 6 .   ? -0.988  -37.720 2.489   1.000 32.110 0 607 HOH   AAA O   1 ? 
HETATM 1988 O  O   . HOH   F 6 .   ? -38.929 -17.792 -16.862 1.000 53.090 0 608 HOH   AAA O   1 ? 
HETATM 1989 O  O   . HOH   F 6 .   ? -8.796  -41.524 4.166   1.000 42.910 0 609 HOH   AAA O   1 ? 
HETATM 1990 O  O   . HOH   F 6 .   ? 7.283   -35.779 -13.726 1.000 37.460 0 610 HOH   AAA O   1 ? 
HETATM 1991 O  O   . HOH   F 6 .   ? -29.519 -11.687 -18.709 1.000 42.100 0 611 HOH   AAA O   1 ? 
HETATM 1992 O  O   . HOH   F 6 .   ? -35.492 -25.294 -0.679  1.000 49.370 0 612 HOH   AAA O   1 ? 
HETATM 1993 O  O   . HOH   F 6 .   ? -32.207 -24.655 -10.771 1.000 42.100 0 613 HOH   AAA O   1 ? 
HETATM 1994 O  O   . HOH   F 6 .   ? 0.847   -38.739 4.345   1.000 33.150 0 614 HOH   AAA O   1 ? 
HETATM 1995 O  O   . HOH   F 6 .   ? -0.671  -12.120 -8.056  1.000 69.850 0 615 HOH   AAA O   1 ? 
HETATM 1996 O  O   . HOH   F 6 .   ? -36.422 -19.337 -13.962 1.000 55.980 0 616 HOH   AAA O   1 ? 
HETATM 1997 O  O   . HOH   F 6 .   ? -2.222  -37.240 7.719   1.000 25.860 0 617 HOH   AAA O   1 ? 
HETATM 1998 O  O   . HOH   F 6 .   ? -21.188 -7.313  6.627   1.000 49.030 0 618 HOH   AAA O   1 ? 
HETATM 1999 O  O   . HOH   F 6 .   ? 5.383   -19.291 -2.551  1.000 60.960 0 619 HOH   AAA O   1 ? 
HETATM 2000 O  O   . HOH   F 6 .   ? -14.099 -33.852 -24.144 1.000 60.080 0 620 HOH   AAA O   1 ? 
HETATM 2001 O  O   . HOH   F 6 .   ? -31.035 -33.556 -10.976 1.000 50.960 0 621 HOH   AAA O   1 ? 
HETATM 2002 O  O   . HOH   F 6 .   ? -4.797  -40.971 2.439   1.000 40.520 0 622 HOH   AAA O   1 ? 
HETATM 2003 O  O   . HOH   F 6 .   ? -29.365 -22.856 -19.976 1.000 58.810 0 623 HOH   AAA O   1 ? 
HETATM 2004 O  O   . HOH   F 6 .   ? -22.160 -36.151 -16.358 1.000 53.150 0 624 HOH   AAA O   1 ? 
HETATM 2005 O  O   . HOH   F 6 .   ? 6.015   -35.301 -1.400  1.000 41.150 0 625 HOH   AAA O   1 ? 
HETATM 2006 O  O   . HOH   F 6 .   ? 2.635   -39.999 2.490   1.000 46.490 0 626 HOH   AAA O   1 ? 
HETATM 2007 O  O   . HOH   F 6 .   ? -26.655 -24.517 5.492   1.000 53.290 0 627 HOH   AAA O   1 ? 
HETATM 2008 O  O   . HOH   F 6 .   ? -24.094 -33.050 -16.348 1.000 46.230 0 628 HOH   AAA O   1 ? 
HETATM 2009 O  O   . HOH   F 6 .   ? -21.529 -24.226 6.286   1.000 40.060 0 629 HOH   AAA O   1 ? 
HETATM 2010 O  O   . HOH   F 6 .   ? -3.205  -31.041 -22.658 1.000 35.660 0 630 HOH   AAA O   1 ? 
HETATM 2011 O  O   . HOH   F 6 .   ? 6.634   -33.159 -18.984 1.000 40.980 0 631 HOH   AAA O   1 ? 
HETATM 2012 O  O   . HOH   F 6 .   ? -6.872  -43.558 -17.217 1.000 43.640 0 632 HOH   AAA O   1 ? 
HETATM 2013 O  O   . HOH   F 6 .   ? -18.946 -18.591 14.868  1.000 50.040 0 633 HOH   AAA O   1 ? 
HETATM 2014 O  O   . HOH   F 6 .   ? -18.038 -33.414 6.701   1.000 69.200 0 634 HOH   AAA O   1 ? 
HETATM 2015 O  O   . HOH   F 6 .   ? -6.308  -28.931 -23.745 1.000 48.040 0 635 HOH   AAA O   1 ? 
HETATM 2016 O  O   . HOH   F 6 .   ? 10.156  -32.645 6.198   1.000 38.500 0 636 HOH   AAA O   1 ? 
HETATM 2017 O  O   . HOH   F 6 .   ? -2.673  -20.635 10.049  1.000 52.650 0 637 HOH   AAA O   1 ? 
HETATM 2018 O  O   . HOH   F 6 .   ? -23.354 -1.993  -5.228  1.000 42.640 0 638 HOH   AAA O   1 ? 
HETATM 2019 O  O   . HOH   F 6 .   ? -0.183  -43.732 -4.595  1.000 60.490 0 639 HOH   AAA O   1 ? 
HETATM 2020 O  O   . HOH   F 6 .   ? -20.615 -25.571 3.487   1.000 36.600 0 640 HOH   AAA O   1 ? 
HETATM 2021 O  O   . HOH   F 6 .   ? -13.108 -31.823 10.344  1.000 52.670 0 641 HOH   AAA O   1 ? 
HETATM 2022 O  O   . HOH   F 6 .   ? -1.299  -26.052 11.368  1.000 45.640 0 642 HOH   AAA O   1 ? 
HETATM 2023 O  O   . HOH   F 6 .   ? -8.101  -10.764 -16.535 1.000 56.190 0 643 HOH   AAA O   1 ? 
HETATM 2024 O  O   . HOH   F 6 .   ? 1.446   -41.708 -4.885  1.000 51.580 0 644 HOH   AAA O   1 ? 
HETATM 2025 O  O   . HOH   F 6 .   ? -30.896 -28.230 -10.889 1.000 35.020 0 645 HOH   AAA O   1 ? 
HETATM 2026 O  O   . HOH   F 6 .   ? -0.247  -25.180 -17.516 1.000 37.610 0 646 HOH   AAA O   1 ? 
HETATM 2027 O  O   . HOH   F 6 .   ? -2.755  -27.019 -21.453 1.000 42.950 0 647 HOH   AAA O   1 ? 
HETATM 2028 O  O   . HOH   F 6 .   ? 7.015   -35.335 -3.839  1.000 33.260 0 648 HOH   AAA O   1 ? 
HETATM 2029 O  O   . HOH   F 6 .   ? -0.007  -42.078 -2.000  1.000 67.120 0 649 HOH   AAA O   1 ? 
HETATM 2030 O  O   . HOH   F 6 .   ? -2.252  -24.556 -19.889 1.000 48.020 0 650 HOH   AAA O   1 ? 
HETATM 2031 O  O   . HOH   F 6 .   ? -2.353  -30.236 -25.198 1.000 45.680 0 651 HOH   AAA O   1 ? 
HETATM 2032 O  O   . HOH   F 6 .   ? -16.724 -14.103 17.218  1.000 69.080 0 652 HOH   AAA O   1 ? 
# 
