data_8TTR
# 
_entry.id   8TTR 
# 
_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   8TTR         pdb_00008ttr 10.2210/pdb8ttr/pdb 
WWPDB D_1000276625 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2024-11-27 
2 'Structure model' 1 1 2024-12-11 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume'          
2 2 'Structure model' '_citation.page_first'              
3 2 'Structure model' '_citation.page_last'               
4 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8TTR 
_pdbx_database_status.recvd_initial_deposition_date   2023-08-14 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              t.peat@unsw.edu.au 
_pdbx_contact_author.name_first         Thomas 
_pdbx_contact_author.name_last          Peat 
_pdbx_contact_author.name_mi            S 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-6488-0831 
# 
_audit_author.name               'Peat, T.S.' 
_audit_author.pdbx_ordinal       1 
_audit_author.identifier_ORCID   0000-0002-6488-0831 
# 
_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            67 
_citation.language                  ? 
_citation.page_first                20438 
_citation.page_last                 20454 
_citation.title                     
;4-(Pyrazolyl)benzenesulfonamide Ureas as Carbonic Anhydrases Inhibitors and Hypoxia-Mediated Chemo-Sensitizing Agents in Colorectal Cancer Cells.
;
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.jmedchem.4c01894 
_citation.pdbx_database_id_PubMed   39550697 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Eldehna, W.M.'    1  ? 
primary 'Fares, M.'        2  ? 
primary 'Bonardi, A.'      3  ? 
primary 'Avgenikos, M.'    4  ? 
primary 'Baselious, F.'    5  ? 
primary 'Schmidt, M.'      6  ? 
primary 'Al-Warhi, T.'     7  ? 
primary 'Abdel-Aziz, H.A.' 8  ? 
primary 'Rennert, R.'      9  ? 
primary 'Peat, T.S.'       10 ? 
primary 'Supuran, C.T.'    11 ? 
primary 'Wessjohann, L.A.' 12 ? 
primary 'Ibrahim, H.S.'    13 ? 
# 
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 'Carbonic anhydrase 2'                                                                 29226.859 1   4.2.1.1 
'A65S, N67Q, E69T, I91L, F130V, G131D, V134L, K169E, L203A, C205G' ? ? 
2 non-polymer syn 'ZINC ION'                                                                             65.409    1   ?       ? ? 
? 
3 non-polymer syn '4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide' 512.561   1   ?       ? ? 
? 
4 non-polymer syn 'DIMETHYL SULFOXIDE'                                                                   78.133    1   ?       ? ? 
? 
5 non-polymer syn GLYCEROL                                                                               92.094    1   ?       ? ? 
? 
6 non-polymer syn 'SULFATE ION'                                                                          96.063    1   ?       ? ? 
? 
7 water       nat water                                                                                  18.015    218 ?       ? ? 
? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Carbonate dehydratase II,Carbonic anhydrase C,CAC,Carbonic anhydrase II,CA-II' 
# 
_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       
;MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFQVTFDDSQDKAVLK
GGPLDGTYRLLQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDVDKALQQPDGLAVLGIFLKVGSAKPGLQKVV
DVLDSIKTEGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLAEGVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELM
VDNWRPAQPLKNRQIKASFK
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFQVTFDDSQDKAVLK
GGPLDGTYRLLQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDVDKALQQPDGLAVLGIFLKVGSAKPGLQKVV
DVLDSIKTEGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLAEGVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELM
VDNWRPAQPLKNRQIKASFK
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'ZINC ION'                                                                             ZN  
3 '4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide' LGO 
4 'DIMETHYL SULFOXIDE'                                                                   DMS 
5 GLYCEROL                                                                               GOL 
6 'SULFATE ION'                                                                          SO4 
7 water                                                                                  HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   SER n 
1 3   HIS n 
1 4   HIS n 
1 5   TRP n 
1 6   GLY n 
1 7   TYR n 
1 8   GLY n 
1 9   LYS n 
1 10  HIS n 
1 11  ASN n 
1 12  GLY n 
1 13  PRO n 
1 14  GLU n 
1 15  HIS n 
1 16  TRP n 
1 17  HIS n 
1 18  LYS n 
1 19  ASP n 
1 20  PHE n 
1 21  PRO n 
1 22  ILE n 
1 23  ALA n 
1 24  LYS n 
1 25  GLY n 
1 26  GLU n 
1 27  ARG n 
1 28  GLN n 
1 29  SER n 
1 30  PRO n 
1 31  VAL n 
1 32  ASP n 
1 33  ILE n 
1 34  ASP n 
1 35  THR n 
1 36  HIS n 
1 37  THR n 
1 38  ALA n 
1 39  LYS n 
1 40  TYR n 
1 41  ASP n 
1 42  PRO n 
1 43  SER n 
1 44  LEU n 
1 45  LYS n 
1 46  PRO n 
1 47  LEU n 
1 48  SER n 
1 49  VAL n 
1 50  SER n 
1 51  TYR n 
1 52  ASP n 
1 53  GLN n 
1 54  ALA n 
1 55  THR n 
1 56  SER n 
1 57  LEU n 
1 58  ARG n 
1 59  ILE n 
1 60  LEU n 
1 61  ASN n 
1 62  ASN n 
1 63  GLY n 
1 64  HIS n 
1 65  SER n 
1 66  PHE n 
1 67  GLN n 
1 68  VAL n 
1 69  THR n 
1 70  PHE n 
1 71  ASP n 
1 72  ASP n 
1 73  SER n 
1 74  GLN n 
1 75  ASP n 
1 76  LYS n 
1 77  ALA n 
1 78  VAL n 
1 79  LEU n 
1 80  LYS n 
1 81  GLY n 
1 82  GLY n 
1 83  PRO n 
1 84  LEU n 
1 85  ASP n 
1 86  GLY n 
1 87  THR n 
1 88  TYR n 
1 89  ARG n 
1 90  LEU n 
1 91  LEU n 
1 92  GLN n 
1 93  PHE n 
1 94  HIS n 
1 95  PHE n 
1 96  HIS n 
1 97  TRP n 
1 98  GLY n 
1 99  SER n 
1 100 LEU n 
1 101 ASP n 
1 102 GLY n 
1 103 GLN n 
1 104 GLY n 
1 105 SER n 
1 106 GLU n 
1 107 HIS n 
1 108 THR n 
1 109 VAL n 
1 110 ASP n 
1 111 LYS n 
1 112 LYS n 
1 113 LYS n 
1 114 TYR n 
1 115 ALA n 
1 116 ALA n 
1 117 GLU n 
1 118 LEU n 
1 119 HIS n 
1 120 LEU n 
1 121 VAL n 
1 122 HIS n 
1 123 TRP n 
1 124 ASN n 
1 125 THR n 
1 126 LYS n 
1 127 TYR n 
1 128 GLY n 
1 129 ASP n 
1 130 VAL n 
1 131 ASP n 
1 132 LYS n 
1 133 ALA n 
1 134 LEU n 
1 135 GLN n 
1 136 GLN n 
1 137 PRO n 
1 138 ASP n 
1 139 GLY n 
1 140 LEU n 
1 141 ALA n 
1 142 VAL n 
1 143 LEU n 
1 144 GLY n 
1 145 ILE n 
1 146 PHE n 
1 147 LEU n 
1 148 LYS n 
1 149 VAL n 
1 150 GLY n 
1 151 SER n 
1 152 ALA n 
1 153 LYS n 
1 154 PRO n 
1 155 GLY n 
1 156 LEU n 
1 157 GLN n 
1 158 LYS n 
1 159 VAL n 
1 160 VAL n 
1 161 ASP n 
1 162 VAL n 
1 163 LEU n 
1 164 ASP n 
1 165 SER n 
1 166 ILE n 
1 167 LYS n 
1 168 THR n 
1 169 GLU n 
1 170 GLY n 
1 171 LYS n 
1 172 SER n 
1 173 ALA n 
1 174 ASP n 
1 175 PHE n 
1 176 THR n 
1 177 ASN n 
1 178 PHE n 
1 179 ASP n 
1 180 PRO n 
1 181 ARG n 
1 182 GLY n 
1 183 LEU n 
1 184 LEU n 
1 185 PRO n 
1 186 GLU n 
1 187 SER n 
1 188 LEU n 
1 189 ASP n 
1 190 TYR n 
1 191 TRP n 
1 192 THR n 
1 193 TYR n 
1 194 PRO n 
1 195 GLY n 
1 196 SER n 
1 197 LEU n 
1 198 THR n 
1 199 THR n 
1 200 PRO n 
1 201 PRO n 
1 202 LEU n 
1 203 ALA n 
1 204 GLU n 
1 205 GLY n 
1 206 VAL n 
1 207 THR n 
1 208 TRP n 
1 209 ILE n 
1 210 VAL n 
1 211 LEU n 
1 212 LYS n 
1 213 GLU n 
1 214 PRO n 
1 215 ILE n 
1 216 SER n 
1 217 VAL n 
1 218 SER n 
1 219 SER n 
1 220 GLU n 
1 221 GLN n 
1 222 VAL n 
1 223 LEU n 
1 224 LYS n 
1 225 PHE n 
1 226 ARG n 
1 227 LYS n 
1 228 LEU n 
1 229 ASN n 
1 230 PHE n 
1 231 ASN n 
1 232 GLY n 
1 233 GLU n 
1 234 GLY n 
1 235 GLU n 
1 236 PRO n 
1 237 GLU n 
1 238 GLU n 
1 239 LEU n 
1 240 MET n 
1 241 VAL n 
1 242 ASP n 
1 243 ASN n 
1 244 TRP n 
1 245 ARG n 
1 246 PRO n 
1 247 ALA n 
1 248 GLN n 
1 249 PRO n 
1 250 LEU n 
1 251 LYS n 
1 252 ASN n 
1 253 ARG n 
1 254 GLN n 
1 255 ILE n 
1 256 LYS n 
1 257 ALA n 
1 258 SER n 
1 259 PHE n 
1 260 LYS 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                   260 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 CA2 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                                                                ? 'C3 H7 N O2' 
89.093  
ARG 'L-peptide linking' y ARGININE                                                                               ? 
'C6 H15 N4 O2 1'   175.209 
ASN 'L-peptide linking' y ASPARAGINE                                                                             ? 'C4 H8 N2 O3' 
132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                                                        ? 'C4 H7 N O4' 
133.103 
CYS 'L-peptide linking' y CYSTEINE                                                                               ? 'C3 H7 N O2 S' 
121.158 
DMS non-polymer         . 'DIMETHYL SULFOXIDE'                                                                   ? 'C2 H6 O S' 
78.133  
GLN 'L-peptide linking' y GLUTAMINE                                                                              ? 'C5 H10 N2 O3' 
146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                                                        ? 'C5 H9 N O4' 
147.129 
GLY 'peptide linking'   y GLYCINE                                                                                ? 'C2 H5 N O2' 
75.067  
GOL non-polymer         . GLYCEROL                                                                               
'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'         92.094  
HIS 'L-peptide linking' y HISTIDINE                                                                              ? 
'C6 H10 N3 O2 1'   156.162 
HOH non-polymer         . WATER                                                                                  ? 'H2 O' 18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                                                             ? 'C6 H13 N O2' 
131.173 
LEU 'L-peptide linking' y LEUCINE                                                                                ? 'C6 H13 N O2' 
131.173 
LGO non-polymer         . '4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide' ? 
'C22 H20 N6 O5 S2' 512.561 
LYS 'L-peptide linking' y LYSINE                                                                                 ? 
'C6 H15 N2 O2 1'   147.195 
MET 'L-peptide linking' y METHIONINE                                                                             ? 'C5 H11 N O2 S' 
149.211 
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 
SO4 non-polymer         . 'SULFATE ION'                                                                          ? 'O4 S -2' 
96.063  
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_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   1   ?   ?   ?   A . n 
A 1 2   SER 2   2   2   SER SER A . n 
A 1 3   HIS 3   3   3   HIS HIS A . n 
A 1 4   HIS 4   4   4   HIS HIS A . n 
A 1 5   TRP 5   5   5   TRP TRP A . n 
A 1 6   GLY 6   6   6   GLY GLY A . n 
A 1 7   TYR 7   7   7   TYR TYR A . n 
A 1 8   GLY 8   8   8   GLY GLY A . n 
A 1 9   LYS 9   9   9   LYS LYS A . n 
A 1 10  HIS 10  10  10  HIS HIS A . n 
A 1 11  ASN 11  11  11  ASN ASN A . n 
A 1 12  GLY 12  12  12  GLY GLY A . n 
A 1 13  PRO 13  13  13  PRO PRO A . n 
A 1 14  GLU 14  14  14  GLU GLU A . n 
A 1 15  HIS 15  15  15  HIS HIS A . n 
A 1 16  TRP 16  16  16  TRP TRP A . n 
A 1 17  HIS 17  17  17  HIS HIS A . n 
A 1 18  LYS 18  18  18  LYS LYS A . n 
A 1 19  ASP 19  19  19  ASP ASP A . n 
A 1 20  PHE 20  20  20  PHE PHE A . n 
A 1 21  PRO 21  21  21  PRO PRO A . n 
A 1 22  ILE 22  22  22  ILE ILE A . n 
A 1 23  ALA 23  23  23  ALA ALA A . n 
A 1 24  LYS 24  24  24  LYS LYS A . n 
A 1 25  GLY 25  25  25  GLY GLY A . n 
A 1 26  GLU 26  26  26  GLU GLU A . n 
A 1 27  ARG 27  27  27  ARG ARG A . n 
A 1 28  GLN 28  28  28  GLN GLN A . n 
A 1 29  SER 29  29  29  SER SER A . n 
A 1 30  PRO 30  30  30  PRO PRO A . n 
A 1 31  VAL 31  31  31  VAL VAL A . n 
A 1 32  ASP 32  32  32  ASP ASP A . n 
A 1 33  ILE 33  33  33  ILE ILE A . n 
A 1 34  ASP 34  34  34  ASP ASP A . n 
A 1 35  THR 35  35  35  THR THR A . n 
A 1 36  HIS 36  36  36  HIS HIS A . n 
A 1 37  THR 37  37  37  THR THR A . n 
A 1 38  ALA 38  38  38  ALA ALA A . n 
A 1 39  LYS 39  39  39  LYS LYS A . n 
A 1 40  TYR 40  40  40  TYR TYR A . n 
A 1 41  ASP 41  41  41  ASP ASP A . n 
A 1 42  PRO 42  42  42  PRO PRO A . n 
A 1 43  SER 43  43  43  SER SER A . n 
A 1 44  LEU 44  44  44  LEU LEU A . n 
A 1 45  LYS 45  45  45  LYS LYS A . n 
A 1 46  PRO 46  46  46  PRO PRO A . n 
A 1 47  LEU 47  47  47  LEU LEU A . n 
A 1 48  SER 48  48  48  SER SER A . n 
A 1 49  VAL 49  49  49  VAL VAL A . n 
A 1 50  SER 50  50  50  SER SER A . n 
A 1 51  TYR 51  51  51  TYR TYR A . n 
A 1 52  ASP 52  52  52  ASP ASP A . n 
A 1 53  GLN 53  53  53  GLN GLN A . n 
A 1 54  ALA 54  54  54  ALA ALA A . n 
A 1 55  THR 55  55  55  THR THR A . n 
A 1 56  SER 56  56  56  SER SER A . n 
A 1 57  LEU 57  57  57  LEU LEU A . n 
A 1 58  ARG 58  58  58  ARG ARG A . n 
A 1 59  ILE 59  59  59  ILE ILE A . n 
A 1 60  LEU 60  60  60  LEU LEU A . n 
A 1 61  ASN 61  61  61  ASN ASN A . n 
A 1 62  ASN 62  62  62  ASN ASN A . n 
A 1 63  GLY 63  63  63  GLY GLY A . n 
A 1 64  HIS 64  64  64  HIS HIS A . n 
A 1 65  SER 65  65  65  SER SER A . n 
A 1 66  PHE 66  66  66  PHE PHE A . n 
A 1 67  GLN 67  67  67  GLN GLN A . n 
A 1 68  VAL 68  68  68  VAL VAL A . n 
A 1 69  THR 69  69  69  THR THR A . n 
A 1 70  PHE 70  70  70  PHE PHE A . n 
A 1 71  ASP 71  71  71  ASP ASP A . n 
A 1 72  ASP 72  72  72  ASP ASP A . n 
A 1 73  SER 73  73  73  SER SER A . n 
A 1 74  GLN 74  74  74  GLN GLN A . n 
A 1 75  ASP 75  75  75  ASP ASP A . n 
A 1 76  LYS 76  76  76  LYS LYS A . n 
A 1 77  ALA 77  77  77  ALA ALA A . n 
A 1 78  VAL 78  78  78  VAL VAL A . n 
A 1 79  LEU 79  79  79  LEU LEU A . n 
A 1 80  LYS 80  80  80  LYS LYS A . n 
A 1 81  GLY 81  81  81  GLY GLY A . n 
A 1 82  GLY 82  82  82  GLY GLY A . n 
A 1 83  PRO 83  83  83  PRO PRO A . n 
A 1 84  LEU 84  84  84  LEU LEU A . n 
A 1 85  ASP 85  85  85  ASP ASP A . n 
A 1 86  GLY 86  86  86  GLY GLY A . n 
A 1 87  THR 87  87  87  THR THR A . n 
A 1 88  TYR 88  88  88  TYR TYR A . n 
A 1 89  ARG 89  89  89  ARG ARG A . n 
A 1 90  LEU 90  90  90  LEU LEU A . n 
A 1 91  LEU 91  91  91  LEU LEU A . n 
A 1 92  GLN 92  92  92  GLN GLN A . n 
A 1 93  PHE 93  93  93  PHE PHE A . n 
A 1 94  HIS 94  94  94  HIS HIS A . n 
A 1 95  PHE 95  95  95  PHE PHE A . n 
A 1 96  HIS 96  96  96  HIS HIS A . n 
A 1 97  TRP 97  97  97  TRP TRP A . n 
A 1 98  GLY 98  98  98  GLY GLY A . n 
A 1 99  SER 99  99  99  SER SER A . n 
A 1 100 LEU 100 100 100 LEU LEU A . n 
A 1 101 ASP 101 101 101 ASP ASP A . n 
A 1 102 GLY 102 102 102 GLY GLY A . n 
A 1 103 GLN 103 103 103 GLN GLN A . n 
A 1 104 GLY 104 104 104 GLY GLY A . n 
A 1 105 SER 105 105 105 SER SER A . n 
A 1 106 GLU 106 106 106 GLU GLU A . n 
A 1 107 HIS 107 107 107 HIS HIS A . n 
A 1 108 THR 108 108 108 THR THR A . n 
A 1 109 VAL 109 109 109 VAL VAL A . n 
A 1 110 ASP 110 110 110 ASP ASP A . n 
A 1 111 LYS 111 111 111 LYS LYS A . n 
A 1 112 LYS 112 112 112 LYS LYS A . n 
A 1 113 LYS 113 113 113 LYS LYS A . n 
A 1 114 TYR 114 114 114 TYR TYR A . n 
A 1 115 ALA 115 115 115 ALA ALA A . n 
A 1 116 ALA 116 116 116 ALA ALA A . n 
A 1 117 GLU 117 117 117 GLU GLU A . n 
A 1 118 LEU 118 118 118 LEU LEU A . n 
A 1 119 HIS 119 119 119 HIS HIS A . n 
A 1 120 LEU 120 120 120 LEU LEU A . n 
A 1 121 VAL 121 121 121 VAL VAL A . n 
A 1 122 HIS 122 122 122 HIS HIS A . n 
A 1 123 TRP 123 123 123 TRP TRP A . n 
A 1 124 ASN 124 124 124 ASN ASN A . n 
A 1 125 THR 125 125 125 THR THR A . n 
A 1 126 LYS 126 127 127 LYS LYS A . n 
A 1 127 TYR 127 128 128 TYR TYR A . n 
A 1 128 GLY 128 129 129 GLY GLY A . n 
A 1 129 ASP 129 130 130 ASP ASP A . n 
A 1 130 VAL 130 131 131 VAL VAL A . n 
A 1 131 ASP 131 132 132 ASP ASP A . n 
A 1 132 LYS 132 133 133 LYS LYS A . n 
A 1 133 ALA 133 134 134 ALA ALA A . n 
A 1 134 LEU 134 135 135 LEU LEU A . n 
A 1 135 GLN 135 136 136 GLN GLN A . n 
A 1 136 GLN 136 137 137 GLN GLN A . n 
A 1 137 PRO 137 138 138 PRO PRO A . n 
A 1 138 ASP 138 139 139 ASP ASP A . n 
A 1 139 GLY 139 140 140 GLY GLY A . n 
A 1 140 LEU 140 141 141 LEU LEU A . n 
A 1 141 ALA 141 142 142 ALA ALA A . n 
A 1 142 VAL 142 143 143 VAL VAL A . n 
A 1 143 LEU 143 144 144 LEU LEU A . n 
A 1 144 GLY 144 145 145 GLY GLY A . n 
A 1 145 ILE 145 146 146 ILE ILE A . n 
A 1 146 PHE 146 147 147 PHE PHE A . n 
A 1 147 LEU 147 148 148 LEU LEU A . n 
A 1 148 LYS 148 149 149 LYS LYS A . n 
A 1 149 VAL 149 150 150 VAL VAL A . n 
A 1 150 GLY 150 151 151 GLY GLY A . n 
A 1 151 SER 151 152 152 SER SER A . n 
A 1 152 ALA 152 153 153 ALA ALA A . n 
A 1 153 LYS 153 154 154 LYS LYS A . n 
A 1 154 PRO 154 155 155 PRO PRO A . n 
A 1 155 GLY 155 156 156 GLY GLY A . n 
A 1 156 LEU 156 157 157 LEU LEU A . n 
A 1 157 GLN 157 158 158 GLN GLN A . n 
A 1 158 LYS 158 159 159 LYS LYS A . n 
A 1 159 VAL 159 160 160 VAL VAL A . n 
A 1 160 VAL 160 161 161 VAL VAL A . n 
A 1 161 ASP 161 162 162 ASP ASP A . n 
A 1 162 VAL 162 163 163 VAL VAL A . n 
A 1 163 LEU 163 164 164 LEU LEU A . n 
A 1 164 ASP 164 165 165 ASP ASP A . n 
A 1 165 SER 165 166 166 SER SER A . n 
A 1 166 ILE 166 167 167 ILE ILE A . n 
A 1 167 LYS 167 168 168 LYS LYS A . n 
A 1 168 THR 168 169 169 THR THR A . n 
A 1 169 GLU 169 170 170 GLU GLU A . n 
A 1 170 GLY 170 171 171 GLY GLY A . n 
A 1 171 LYS 171 172 172 LYS LYS A . n 
A 1 172 SER 172 173 173 SER SER A . n 
A 1 173 ALA 173 174 174 ALA ALA A . n 
A 1 174 ASP 174 175 175 ASP ASP A . n 
A 1 175 PHE 175 176 176 PHE PHE A . n 
A 1 176 THR 176 177 177 THR THR A . n 
A 1 177 ASN 177 178 178 ASN ASN A . n 
A 1 178 PHE 178 179 179 PHE PHE A . n 
A 1 179 ASP 179 180 180 ASP ASP A . n 
A 1 180 PRO 180 181 181 PRO PRO A . n 
A 1 181 ARG 181 182 182 ARG ARG A . n 
A 1 182 GLY 182 183 183 GLY GLY A . n 
A 1 183 LEU 183 184 184 LEU LEU A . n 
A 1 184 LEU 184 185 185 LEU LEU A . n 
A 1 185 PRO 185 186 186 PRO PRO A . n 
A 1 186 GLU 186 187 187 GLU GLU A . n 
A 1 187 SER 187 188 188 SER SER A . n 
A 1 188 LEU 188 189 189 LEU LEU A . n 
A 1 189 ASP 189 190 190 ASP ASP A . n 
A 1 190 TYR 190 191 191 TYR TYR A . n 
A 1 191 TRP 191 192 192 TRP TRP A . n 
A 1 192 THR 192 193 193 THR THR A . n 
A 1 193 TYR 193 194 194 TYR TYR A . n 
A 1 194 PRO 194 195 195 PRO PRO A . n 
A 1 195 GLY 195 196 196 GLY GLY A . n 
A 1 196 SER 196 197 197 SER SER A . n 
A 1 197 LEU 197 198 198 LEU LEU A . n 
A 1 198 THR 198 199 199 THR THR A . n 
A 1 199 THR 199 200 200 THR THR A . n 
A 1 200 PRO 200 201 201 PRO PRO A . n 
A 1 201 PRO 201 202 202 PRO PRO A . n 
A 1 202 LEU 202 203 203 LEU LEU A . n 
A 1 203 ALA 203 204 204 ALA ALA A . n 
A 1 204 GLU 204 205 205 GLU GLU A . n 
A 1 205 GLY 205 206 206 GLY GLY A . n 
A 1 206 VAL 206 207 207 VAL VAL A . n 
A 1 207 THR 207 208 208 THR THR A . n 
A 1 208 TRP 208 209 209 TRP TRP A . n 
A 1 209 ILE 209 210 210 ILE ILE A . n 
A 1 210 VAL 210 211 211 VAL VAL A . n 
A 1 211 LEU 211 212 212 LEU LEU A . n 
A 1 212 LYS 212 213 213 LYS LYS A . n 
A 1 213 GLU 213 214 214 GLU GLU A . n 
A 1 214 PRO 214 215 215 PRO PRO A . n 
A 1 215 ILE 215 216 216 ILE ILE A . n 
A 1 216 SER 216 217 217 SER SER A . n 
A 1 217 VAL 217 218 218 VAL VAL A . n 
A 1 218 SER 218 219 219 SER SER A . n 
A 1 219 SER 219 220 220 SER SER A . n 
A 1 220 GLU 220 221 221 GLU GLU A . n 
A 1 221 GLN 221 222 222 GLN GLN A . n 
A 1 222 VAL 222 223 223 VAL VAL A . n 
A 1 223 LEU 223 224 224 LEU LEU A . n 
A 1 224 LYS 224 225 225 LYS LYS A . n 
A 1 225 PHE 225 226 226 PHE PHE A . n 
A 1 226 ARG 226 227 227 ARG ARG A . n 
A 1 227 LYS 227 228 228 LYS LYS A . n 
A 1 228 LEU 228 229 229 LEU LEU A . n 
A 1 229 ASN 229 230 230 ASN ASN A . n 
A 1 230 PHE 230 231 231 PHE PHE A . n 
A 1 231 ASN 231 232 232 ASN ASN A . n 
A 1 232 GLY 232 233 233 GLY GLY A . n 
A 1 233 GLU 233 234 234 GLU GLU A . n 
A 1 234 GLY 234 235 235 GLY GLY A . n 
A 1 235 GLU 235 236 236 GLU GLU A . n 
A 1 236 PRO 236 237 237 PRO PRO A . n 
A 1 237 GLU 237 238 238 GLU GLU A . n 
A 1 238 GLU 238 239 239 GLU GLU A . n 
A 1 239 LEU 239 240 240 LEU LEU A . n 
A 1 240 MET 240 241 241 MET MET A . n 
A 1 241 VAL 241 242 242 VAL VAL A . n 
A 1 242 ASP 242 243 243 ASP ASP A . n 
A 1 243 ASN 243 244 244 ASN ASN A . n 
A 1 244 TRP 244 245 245 TRP TRP A . n 
A 1 245 ARG 245 246 246 ARG ARG A . n 
A 1 246 PRO 246 247 247 PRO PRO A . n 
A 1 247 ALA 247 248 248 ALA ALA A . n 
A 1 248 GLN 248 249 249 GLN GLN A . n 
A 1 249 PRO 249 250 250 PRO PRO A . n 
A 1 250 LEU 250 251 251 LEU LEU A . n 
A 1 251 LYS 251 252 252 LYS LYS A . n 
A 1 252 ASN 252 253 253 ASN ASN A . n 
A 1 253 ARG 253 254 254 ARG ARG A . n 
A 1 254 GLN 254 255 255 GLN GLN A . n 
A 1 255 ILE 255 256 256 ILE ILE A . n 
A 1 256 LYS 256 257 257 LYS LYS A . n 
A 1 257 ALA 257 258 258 ALA ALA A . n 
A 1 258 SER 258 259 259 SER SER A . n 
A 1 259 PHE 259 260 260 PHE PHE A . n 
A 1 260 LYS 260 261 261 LYS LYS A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        LGO 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   LGO 
_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 
B 2 ZN  1   301 301 ZN  ZN  A . 
C 3 LGO 1   302 350 LGO SH7 A . 
D 4 DMS 1   303 401 DMS DMS A . 
E 5 GOL 1   304 402 GOL GOL A . 
F 6 SO4 1   305 403 SO4 SO4 A . 
G 7 HOH 1   401 202 HOH HOH A . 
G 7 HOH 2   402 194 HOH HOH A . 
G 7 HOH 3   403 143 HOH HOH A . 
G 7 HOH 4   404 195 HOH HOH A . 
G 7 HOH 5   405 193 HOH HOH A . 
G 7 HOH 6   406 59  HOH HOH A . 
G 7 HOH 7   407 199 HOH HOH A . 
G 7 HOH 8   408 187 HOH HOH A . 
G 7 HOH 9   409 103 HOH HOH A . 
G 7 HOH 10  410 204 HOH HOH A . 
G 7 HOH 11  411 173 HOH HOH A . 
G 7 HOH 12  412 138 HOH HOH A . 
G 7 HOH 13  413 137 HOH HOH A . 
G 7 HOH 14  414 91  HOH HOH A . 
G 7 HOH 15  415 14  HOH HOH A . 
G 7 HOH 16  416 102 HOH HOH A . 
G 7 HOH 17  417 211 HOH HOH A . 
G 7 HOH 18  418 65  HOH HOH A . 
G 7 HOH 19  419 130 HOH HOH A . 
G 7 HOH 20  420 188 HOH HOH A . 
G 7 HOH 21  421 197 HOH HOH A . 
G 7 HOH 22  422 8   HOH HOH A . 
G 7 HOH 23  423 136 HOH HOH A . 
G 7 HOH 24  424 175 HOH HOH A . 
G 7 HOH 25  425 94  HOH HOH A . 
G 7 HOH 26  426 67  HOH HOH A . 
G 7 HOH 27  427 104 HOH HOH A . 
G 7 HOH 28  428 120 HOH HOH A . 
G 7 HOH 29  429 71  HOH HOH A . 
G 7 HOH 30  430 40  HOH HOH A . 
G 7 HOH 31  431 26  HOH HOH A . 
G 7 HOH 32  432 113 HOH HOH A . 
G 7 HOH 33  433 36  HOH HOH A . 
G 7 HOH 34  434 115 HOH HOH A . 
G 7 HOH 35  435 87  HOH HOH A . 
G 7 HOH 36  436 54  HOH HOH A . 
G 7 HOH 37  437 38  HOH HOH A . 
G 7 HOH 38  438 182 HOH HOH A . 
G 7 HOH 39  439 53  HOH HOH A . 
G 7 HOH 40  440 152 HOH HOH A . 
G 7 HOH 41  441 153 HOH HOH A . 
G 7 HOH 42  442 10  HOH HOH A . 
G 7 HOH 43  443 42  HOH HOH A . 
G 7 HOH 44  444 57  HOH HOH A . 
G 7 HOH 45  445 96  HOH HOH A . 
G 7 HOH 46  446 171 HOH HOH A . 
G 7 HOH 47  447 209 HOH HOH A . 
G 7 HOH 48  448 35  HOH HOH A . 
G 7 HOH 49  449 134 HOH HOH A . 
G 7 HOH 50  450 110 HOH HOH A . 
G 7 HOH 51  451 76  HOH HOH A . 
G 7 HOH 52  452 1   HOH HOH A . 
G 7 HOH 53  453 45  HOH HOH A . 
G 7 HOH 54  454 147 HOH HOH A . 
G 7 HOH 55  455 50  HOH HOH A . 
G 7 HOH 56  456 78  HOH HOH A . 
G 7 HOH 57  457 20  HOH HOH A . 
G 7 HOH 58  458 160 HOH HOH A . 
G 7 HOH 59  459 58  HOH HOH A . 
G 7 HOH 60  460 5   HOH HOH A . 
G 7 HOH 61  461 90  HOH HOH A . 
G 7 HOH 62  462 155 HOH HOH A . 
G 7 HOH 63  463 24  HOH HOH A . 
G 7 HOH 64  464 17  HOH HOH A . 
G 7 HOH 65  465 66  HOH HOH A . 
G 7 HOH 66  466 11  HOH HOH A . 
G 7 HOH 67  467 83  HOH HOH A . 
G 7 HOH 68  468 159 HOH HOH A . 
G 7 HOH 69  469 216 HOH HOH A . 
G 7 HOH 70  470 74  HOH HOH A . 
G 7 HOH 71  471 6   HOH HOH A . 
G 7 HOH 72  472 178 HOH HOH A . 
G 7 HOH 73  473 33  HOH HOH A . 
G 7 HOH 74  474 61  HOH HOH A . 
G 7 HOH 75  475 93  HOH HOH A . 
G 7 HOH 76  476 132 HOH HOH A . 
G 7 HOH 77  477 107 HOH HOH A . 
G 7 HOH 78  478 210 HOH HOH A . 
G 7 HOH 79  479 148 HOH HOH A . 
G 7 HOH 80  480 126 HOH HOH A . 
G 7 HOH 81  481 21  HOH HOH A . 
G 7 HOH 82  482 150 HOH HOH A . 
G 7 HOH 83  483 121 HOH HOH A . 
G 7 HOH 84  484 157 HOH HOH A . 
G 7 HOH 85  485 135 HOH HOH A . 
G 7 HOH 86  486 52  HOH HOH A . 
G 7 HOH 87  487 3   HOH HOH A . 
G 7 HOH 88  488 163 HOH HOH A . 
G 7 HOH 89  489 56  HOH HOH A . 
G 7 HOH 90  490 108 HOH HOH A . 
G 7 HOH 91  491 81  HOH HOH A . 
G 7 HOH 92  492 146 HOH HOH A . 
G 7 HOH 93  493 86  HOH HOH A . 
G 7 HOH 94  494 2   HOH HOH A . 
G 7 HOH 95  495 25  HOH HOH A . 
G 7 HOH 96  496 49  HOH HOH A . 
G 7 HOH 97  497 7   HOH HOH A . 
G 7 HOH 98  498 23  HOH HOH A . 
G 7 HOH 99  499 44  HOH HOH A . 
G 7 HOH 100 500 206 HOH HOH A . 
G 7 HOH 101 501 12  HOH HOH A . 
G 7 HOH 102 502 39  HOH HOH A . 
G 7 HOH 103 503 190 HOH HOH A . 
G 7 HOH 104 504 97  HOH HOH A . 
G 7 HOH 105 505 144 HOH HOH A . 
G 7 HOH 106 506 68  HOH HOH A . 
G 7 HOH 107 507 69  HOH HOH A . 
G 7 HOH 108 508 18  HOH HOH A . 
G 7 HOH 109 509 119 HOH HOH A . 
G 7 HOH 110 510 128 HOH HOH A . 
G 7 HOH 111 511 151 HOH HOH A . 
G 7 HOH 112 512 116 HOH HOH A . 
G 7 HOH 113 513 73  HOH HOH A . 
G 7 HOH 114 514 75  HOH HOH A . 
G 7 HOH 115 515 64  HOH HOH A . 
G 7 HOH 116 516 51  HOH HOH A . 
G 7 HOH 117 517 13  HOH HOH A . 
G 7 HOH 118 518 16  HOH HOH A . 
G 7 HOH 119 519 22  HOH HOH A . 
G 7 HOH 120 520 95  HOH HOH A . 
G 7 HOH 121 521 55  HOH HOH A . 
G 7 HOH 122 522 79  HOH HOH A . 
G 7 HOH 123 523 43  HOH HOH A . 
G 7 HOH 124 524 133 HOH HOH A . 
G 7 HOH 125 525 131 HOH HOH A . 
G 7 HOH 126 526 47  HOH HOH A . 
G 7 HOH 127 527 99  HOH HOH A . 
G 7 HOH 128 528 60  HOH HOH A . 
G 7 HOH 129 529 27  HOH HOH A . 
G 7 HOH 130 530 15  HOH HOH A . 
G 7 HOH 131 531 37  HOH HOH A . 
G 7 HOH 132 532 92  HOH HOH A . 
G 7 HOH 133 533 19  HOH HOH A . 
G 7 HOH 134 534 127 HOH HOH A . 
G 7 HOH 135 535 141 HOH HOH A . 
G 7 HOH 136 536 32  HOH HOH A . 
G 7 HOH 137 537 106 HOH HOH A . 
G 7 HOH 138 538 114 HOH HOH A . 
G 7 HOH 139 539 28  HOH HOH A . 
G 7 HOH 140 540 63  HOH HOH A . 
G 7 HOH 141 541 30  HOH HOH A . 
G 7 HOH 142 542 48  HOH HOH A . 
G 7 HOH 143 543 117 HOH HOH A . 
G 7 HOH 144 544 183 HOH HOH A . 
G 7 HOH 145 545 218 HOH HOH A . 
G 7 HOH 146 546 186 HOH HOH A . 
G 7 HOH 147 547 154 HOH HOH A . 
G 7 HOH 148 548 89  HOH HOH A . 
G 7 HOH 149 549 140 HOH HOH A . 
G 7 HOH 150 550 129 HOH HOH A . 
G 7 HOH 151 551 77  HOH HOH A . 
G 7 HOH 152 552 98  HOH HOH A . 
G 7 HOH 153 553 4   HOH HOH A . 
G 7 HOH 154 554 70  HOH HOH A . 
G 7 HOH 155 555 82  HOH HOH A . 
G 7 HOH 156 556 34  HOH HOH A . 
G 7 HOH 157 557 122 HOH HOH A . 
G 7 HOH 158 558 88  HOH HOH A . 
G 7 HOH 159 559 158 HOH HOH A . 
G 7 HOH 160 560 118 HOH HOH A . 
G 7 HOH 161 561 213 HOH HOH A . 
G 7 HOH 162 562 181 HOH HOH A . 
G 7 HOH 163 563 111 HOH HOH A . 
G 7 HOH 164 564 109 HOH HOH A . 
G 7 HOH 165 565 112 HOH HOH A . 
G 7 HOH 166 566 72  HOH HOH A . 
G 7 HOH 167 567 62  HOH HOH A . 
G 7 HOH 168 568 123 HOH HOH A . 
G 7 HOH 169 569 9   HOH HOH A . 
G 7 HOH 170 570 29  HOH HOH A . 
G 7 HOH 171 571 162 HOH HOH A . 
G 7 HOH 172 572 84  HOH HOH A . 
G 7 HOH 173 573 145 HOH HOH A . 
G 7 HOH 174 574 46  HOH HOH A . 
G 7 HOH 175 575 100 HOH HOH A . 
G 7 HOH 176 576 161 HOH HOH A . 
G 7 HOH 177 577 105 HOH HOH A . 
G 7 HOH 178 578 205 HOH HOH A . 
G 7 HOH 179 579 142 HOH HOH A . 
G 7 HOH 180 580 85  HOH HOH A . 
G 7 HOH 181 581 184 HOH HOH A . 
G 7 HOH 182 582 189 HOH HOH A . 
G 7 HOH 183 583 180 HOH HOH A . 
G 7 HOH 184 584 101 HOH HOH A . 
G 7 HOH 185 585 164 HOH HOH A . 
G 7 HOH 186 586 177 HOH HOH A . 
G 7 HOH 187 587 196 HOH HOH A . 
G 7 HOH 188 588 200 HOH HOH A . 
G 7 HOH 189 589 192 HOH HOH A . 
G 7 HOH 190 590 149 HOH HOH A . 
G 7 HOH 191 591 167 HOH HOH A . 
G 7 HOH 192 592 166 HOH HOH A . 
G 7 HOH 193 593 125 HOH HOH A . 
G 7 HOH 194 594 41  HOH HOH A . 
G 7 HOH 195 595 170 HOH HOH A . 
G 7 HOH 196 596 198 HOH HOH A . 
G 7 HOH 197 597 179 HOH HOH A . 
G 7 HOH 198 598 169 HOH HOH A . 
G 7 HOH 199 599 168 HOH HOH A . 
G 7 HOH 200 600 208 HOH HOH A . 
G 7 HOH 201 601 207 HOH HOH A . 
G 7 HOH 202 602 215 HOH HOH A . 
G 7 HOH 203 603 217 HOH HOH A . 
G 7 HOH 204 604 124 HOH HOH A . 
G 7 HOH 205 605 165 HOH HOH A . 
G 7 HOH 206 606 176 HOH HOH A . 
G 7 HOH 207 607 80  HOH HOH A . 
G 7 HOH 208 608 214 HOH HOH A . 
G 7 HOH 209 609 31  HOH HOH A . 
G 7 HOH 210 610 172 HOH HOH A . 
G 7 HOH 211 611 139 HOH HOH A . 
G 7 HOH 212 612 174 HOH HOH A . 
G 7 HOH 213 613 156 HOH HOH A . 
G 7 HOH 214 614 185 HOH HOH A . 
G 7 HOH 215 615 191 HOH HOH A . 
G 7 HOH 216 616 203 HOH HOH A . 
G 7 HOH 217 617 201 HOH HOH A . 
G 7 HOH 218 618 212 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0415 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   104.131 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8TTR 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     42.160 
_cell.length_a_esd                 ? 
_cell.length_b                     41.514 
_cell.length_b_esd                 ? 
_cell.length_c                     72.065 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        2 
_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                         8TTR 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                4 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 1 21 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8TTR 
_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             2.09 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          41.22 
_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, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              8.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;CA9 mimic crystals were obtained in sitting drop plates with seeding. The protein concentration was about 5.5 mg/mL, 150 nL was added to 120 nL of reservoir and 30 nL of seeds. The reservoir consisted of 2.6 to 2.8 M ammonium sulfate with 100 mM tris buffer at pH 8.0 to 9.0
;
_exptl_crystal_grow.pdbx_pH_range   '8 - 9' 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2020-03-21 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.953724 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'AUSTRALIAN SYNCHROTRON BEAMLINE MX2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.953724 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MX2 
_diffrn_source.pdbx_synchrotron_site       'Australian Synchrotron' 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8TTR 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.45 
_reflns.d_resolution_low                               41.5 
_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                                     43133 
_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                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                12.5 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          13.4 
_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                                0.049 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.166 
_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                                    1.45 
_reflns_shell.d_res_low                                     1.47 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.7 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2135 
_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                               0.630 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.556 
_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                                  2.175 
_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]                            -0.088 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.408 
_refine.aniso_B[2][2]                            0.261 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.029 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               14.321 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.971 
_refine.correlation_coeff_Fo_to_Fc_free          0.963 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_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                                 8TTR 
_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                            1.450 
_refine.ls_d_res_low                             40.917 
_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                     43114 
_refine.ls_number_reflns_R_free                  2169 
_refine.ls_number_reflns_R_work                  40945 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.965 
_refine.ls_percent_reflns_R_free                 5.031 
_refine.ls_R_factor_all                          0.164 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1866 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1629 
_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                       0.067 
_refine.pdbx_overall_ESU_R_Free                  0.067 
_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                             1.295 
_refine.overall_SU_ML                            0.048 
_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        2061 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         51 
_refine_hist.number_atoms_solvent             218 
_refine_hist.number_atoms_total               2330 
_refine_hist.d_res_high                       1.450 
_refine_hist.d_res_low                        40.917 
# 
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' ? 0.011  0.012  2294  ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.016  2096  ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.835  1.684  3140  ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.776  1.610  4872  ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.679  5.000  286   ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 8.780  5.000  7     ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.488 10.000 375   ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.994 10.000 101   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.087  0.200  326   ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.011  0.020  2732  ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.007  0.020  519   ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.201  0.200  419   ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.191  0.200  1910  ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.180  0.200  1086  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.084  0.200  1125  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.209  0.200  166   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.325  0.200  1     ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.121  0.200  4     ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.240  0.200  10    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.258  0.200  49    ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.166  0.200  25    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.607  1.323  1105  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.606  1.322  1105  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.472  2.374  1404  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.474  2.376  1405  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.705  1.605  1189  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.697  1.600  1186  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.151  2.797  1736  ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.151  2.786  1731  ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.275  17.459 10173 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.186  16.975 9990  ? r_lrange_other                 ? ? 
# 
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' 1.450 1.488  3182 . 131 3050 99.9686  . 0.294 . . 0.295 . . . . . 0.278 . 20 . 0.953 0.958 0.271 
'X-RAY DIFFRACTION' 1.488 1.528  3095 . 149 2946 100.0000 . 0.262 . . 0.261 . . . . . 0.241 . 20 . 0.961 0.951 0.289 
'X-RAY DIFFRACTION' 1.528 1.573  2978 . 128 2850 100.0000 . 0.226 . . 0.226 . . . . . 0.203 . 20 . 0.971 0.972 0.222 
'X-RAY DIFFRACTION' 1.573 1.621  2912 . 135 2776 99.9657  . 0.206 . . 0.204 . . . . . 0.180 . 20 . 0.974 0.965 0.242 
'X-RAY DIFFRACTION' 1.621 1.674  2825 . 163 2661 99.9646  . 0.190 . . 0.187 . . . . . 0.164 . 20 . 0.978 0.963 0.245 
'X-RAY DIFFRACTION' 1.674 1.733  2761 . 139 2620 99.9276  . 0.177 . . 0.175 . . . . . 0.153 . 20 . 0.981 0.967 0.237 
'X-RAY DIFFRACTION' 1.733 1.798  2631 . 122 2507 99.9240  . 0.163 . . 0.161 . . . . . 0.143 . 20 . 0.983 0.976 0.201 
'X-RAY DIFFRACTION' 1.798 1.871  2522 . 138 2382 99.9207  . 0.157 . . 0.156 . . . . . 0.141 . 20 . 0.985 0.980 0.180 
'X-RAY DIFFRACTION' 1.871 1.954  2442 . 128 2313 99.9591  . 0.158 . . 0.156 . . . . . 0.144 . 20 . 0.985 0.981 0.191 
'X-RAY DIFFRACTION' 1.954 2.049  2336 . 110 2226 100.0000 . 0.161 . . 0.159 . . . . . 0.149 . 20 . 0.986 0.977 0.190 
'X-RAY DIFFRACTION' 2.049 2.160  2231 . 124 2107 100.0000 . 0.162 . . 0.162 . . . . . 0.152 . 20 . 0.987 0.986 0.161 
'X-RAY DIFFRACTION' 2.160 2.290  2123 . 107 2016 100.0000 . 0.152 . . 0.150 . . . . . 0.143 . 20 . 0.988 0.979 0.193 
'X-RAY DIFFRACTION' 2.290 2.448  1976 . 107 1869 100.0000 . 0.148 . . 0.146 . . . . . 0.139 . 20 . 0.988 0.979 0.182 
'X-RAY DIFFRACTION' 2.448 2.643  1851 . 90  1761 100.0000 . 0.148 . . 0.147 . . . . . 0.140 . 20 . 0.987 0.982 0.168 
'X-RAY DIFFRACTION' 2.643 2.895  1703 . 71  1632 100.0000 . 0.148 . . 0.146 . . . . . 0.139 . 20 . 0.987 0.979 0.185 
'X-RAY DIFFRACTION' 2.895 3.234  1551 . 82  1469 100.0000 . 0.154 . . 0.154 . . . . . 0.151 . 20 . 0.985 0.984 0.162 
'X-RAY DIFFRACTION' 3.234 3.731  1384 . 94  1290 100.0000 . 0.137 . . 0.134 . . . . . 0.137 . 20 . 0.989 0.981 0.183 
'X-RAY DIFFRACTION' 3.731 4.560  1162 . 70  1092 100.0000 . 0.128 . . 0.128 . . . . . 0.135 . 20 . 0.991 0.991 0.126 
'X-RAY DIFFRACTION' 4.560 6.409  917  . 43  874  100.0000 . 0.169 . . 0.169 . . . . . 0.177 . 20 . 0.988 0.985 0.177 
'X-RAY DIFFRACTION' 6.409 40.917 546  . 38  504  99.2674  . 0.194 . . 0.191 . . . . . 0.193 . 20 . 0.980 0.968 0.236 
# 
_struct.entry_id                     8TTR 
_struct.title                        'CA9 mimic bound to SH7' 
_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        8TTR 
_struct_keywords.text            'carbonic anhydrase 9 mimic, inhibitor complex, LYASE, LYASE-INHIBITOR complex' 
_struct_keywords.pdbx_keywords   LYASE/INHIBITOR 
# 
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 ? 
G N N 7 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    CAH2_HUMAN 
_struct_ref.pdbx_db_accession          P00918 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLK
GGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVV
DVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELM
VDNWRPAQPLKNRQIKASFK
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8TTR 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 260 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00918 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  260 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       261 
# 
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 8TTR SER A 65  ? UNP P00918 ALA 65  'engineered mutation' 65  1  
1 8TTR GLN A 67  ? UNP P00918 ASN 67  'engineered mutation' 67  2  
1 8TTR THR A 69  ? UNP P00918 GLU 69  'engineered mutation' 69  3  
1 8TTR LEU A 91  ? UNP P00918 ILE 91  'engineered mutation' 91  4  
1 8TTR VAL A 130 ? UNP P00918 PHE 130 'engineered mutation' 131 5  
1 8TTR ASP A 131 ? UNP P00918 GLY 131 'engineered mutation' 132 6  
1 8TTR LEU A 134 ? UNP P00918 VAL 134 'engineered mutation' 135 7  
1 8TTR GLU A 169 ? UNP P00918 LYS 169 'engineered mutation' 170 8  
1 8TTR ALA A 203 ? UNP P00918 LEU 203 'engineered mutation' 204 9  
1 8TTR GLY A 205 ? UNP P00918 CYS 205 'engineered mutation' 206 10 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G 
# 
_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 HIS A 15  ? ASP A 19  ? HIS A 15  ASP A 19  5 ? 5 
HELX_P HELX_P2 AA2 PHE A 20  ? GLY A 25  ? PHE A 20  GLY A 25  5 ? 6 
HELX_P HELX_P3 AA3 LYS A 126 ? GLY A 128 ? LYS A 127 GLY A 129 5 ? 3 
HELX_P HELX_P4 AA4 ASP A 129 ? LEU A 134 ? ASP A 130 LEU A 135 1 ? 6 
HELX_P HELX_P5 AA5 LYS A 153 ? GLY A 155 ? LYS A 154 GLY A 156 5 ? 3 
HELX_P HELX_P6 AA6 LEU A 156 ? LEU A 163 ? LEU A 157 LEU A 164 1 ? 8 
HELX_P HELX_P7 AA7 ASP A 164 ? LYS A 167 ? ASP A 165 LYS A 168 5 ? 4 
HELX_P HELX_P8 AA8 ASP A 179 ? LEU A 184 ? ASP A 180 LEU A 185 5 ? 6 
HELX_P HELX_P9 AA9 SER A 218 ? ARG A 226 ? SER A 219 ARG A 227 1 ? 9 
# 
_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 
metalc1 metalc ? ? A HIS 94  NE2 ? ? ? 1_555 B ZN  . ZN  ? ? A HIS 94  A ZN  301 1_555 ? ? ? ? ? ? ? 2.055 ? ? 
metalc2 metalc ? ? A HIS 96  NE2 ? ? ? 1_555 B ZN  . ZN  ? ? A HIS 96  A ZN  301 1_555 ? ? ? ? ? ? ? 2.027 ? ? 
metalc3 metalc ? ? A HIS 119 ND1 ? ? ? 1_555 B ZN  . ZN  ? ? A HIS 119 A ZN  301 1_555 ? ? ? ? ? ? ? 2.029 ? ? 
metalc4 metalc ? ? B ZN  .   ZN  ? ? ? 1_555 C LGO . N01 ? ? A ZN  301 A LGO 302 1_555 ? ? ? ? ? ? ? 1.823 ? ? 
metalc5 metalc ? ? B ZN  .   ZN  ? ? ? 1_555 C LGO . S02 ? ? A ZN  301 A LGO 302 1_555 ? ? ? ? ? ? ? 2.990 ? ? 
metalc6 metalc ? ? B ZN  .   ZN  ? ? ? 1_555 G HOH . O   ? ? A ZN  301 A HOH 401 1_555 ? ? ? ? ? ? ? 2.230 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
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 94  ? A HIS 94  ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 NE2 ? A HIS 96  ? A HIS 96  ? 1_555 99.9  ? 
2  NE2 ? A HIS 94  ? A HIS 94  ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 ND1 ? A HIS 119 ? A HIS 119 ? 1_555 113.3 ? 
3  NE2 ? A HIS 96  ? A HIS 96  ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 ND1 ? A HIS 119 ? A HIS 119 ? 1_555 98.3  ? 
4  NE2 ? A HIS 94  ? A HIS 94  ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 N01 ? C LGO .   ? A LGO 302 ? 1_555 120.7 ? 
5  NE2 ? A HIS 96  ? A HIS 96  ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 N01 ? C LGO .   ? A LGO 302 ? 1_555 119.7 ? 
6  ND1 ? A HIS 119 ? A HIS 119 ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 N01 ? C LGO .   ? A LGO 302 ? 1_555 103.1 ? 
7  NE2 ? A HIS 94  ? A HIS 94  ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 S02 ? C LGO .   ? A LGO 302 ? 1_555 98.7  ? 
8  NE2 ? A HIS 96  ? A HIS 96  ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 S02 ? C LGO .   ? A LGO 302 ? 1_555 146.1 ? 
9  ND1 ? A HIS 119 ? A HIS 119 ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 S02 ? C LGO .   ? A LGO 302 ? 1_555 99.9  ? 
10 N01 ? C LGO .   ? A LGO 302 ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 S02 ? C LGO .   ? A LGO 302 ? 1_555 27.7  ? 
11 NE2 ? A HIS 94  ? A HIS 94  ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 O   ? G HOH .   ? A HOH 401 ? 1_555 94.1  ? 
12 NE2 ? A HIS 96  ? A HIS 96  ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 O   ? G HOH .   ? A HOH 401 ? 1_555 86.4  ? 
13 ND1 ? A HIS 119 ? A HIS 119 ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 O   ? G HOH .   ? A HOH 401 ? 1_555 150.7 ? 
14 N01 ? C LGO .   ? A LGO 302 ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 O   ? G HOH .   ? A HOH 401 ? 1_555 51.2  ? 
15 S02 ? C LGO .   ? A LGO 302 ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 O   ? G HOH .   ? A HOH 401 ? 1_555 64.2  ? 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 SER 29  A . ? SER 29  A PRO 30  A ? PRO 30  A 1 -4.03 
2 PRO 200 A . ? PRO 201 A PRO 201 A ? PRO 202 A 1 7.86  
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 2  ? 
AA2 ? 10 ? 
AA3 ? 6  ? 
# 
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  ? parallel      
AA2 1 2  ? parallel      
AA2 2 3  ? anti-parallel 
AA2 3 4  ? anti-parallel 
AA2 4 5  ? parallel      
AA2 5 6  ? anti-parallel 
AA2 6 7  ? anti-parallel 
AA2 7 8  ? anti-parallel 
AA2 8 9  ? anti-parallel 
AA2 9 10 ? anti-parallel 
AA3 1 2  ? anti-parallel 
AA3 2 3  ? anti-parallel 
AA3 3 4  ? anti-parallel 
AA3 4 5  ? anti-parallel 
AA3 5 6  ? 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  ASP A 32  ? ILE A 33  ? ASP A 32  ILE A 33  
AA1 2  THR A 108 ? VAL A 109 ? THR A 108 VAL A 109 
AA2 1  LYS A 39  ? TYR A 40  ? LYS A 39  TYR A 40  
AA2 2  LYS A 256 ? ALA A 257 ? LYS A 257 ALA A 258 
AA2 3  TYR A 190 ? GLY A 195 ? TYR A 191 GLY A 196 
AA2 4  VAL A 206 ? LEU A 211 ? VAL A 207 LEU A 212 
AA2 5  LEU A 140 ? VAL A 149 ? LEU A 141 VAL A 150 
AA2 6  ALA A 116 ? ASN A 124 ? ALA A 116 ASN A 124 
AA2 7  TYR A 88  ? TRP A 97  ? TYR A 88  TRP A 97  
AA2 8  PHE A 66  ? PHE A 70  ? PHE A 66  PHE A 70  
AA2 9  SER A 56  ? ASN A 61  ? SER A 56  ASN A 61  
AA2 10 SER A 172 ? ASP A 174 ? SER A 173 ASP A 175 
AA3 1  LEU A 47  ? SER A 50  ? LEU A 47  SER A 50  
AA3 2  VAL A 78  ? GLY A 81  ? VAL A 78  GLY A 81  
AA3 3  TYR A 88  ? TRP A 97  ? TYR A 88  TRP A 97  
AA3 4  ALA A 116 ? ASN A 124 ? ALA A 116 ASN A 124 
AA3 5  LEU A 140 ? VAL A 149 ? LEU A 141 VAL A 150 
AA3 6  ILE A 215 ? VAL A 217 ? ILE A 216 VAL A 218 
# 
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 ILE A 33  ? N ILE A 33  O THR A 108 ? O THR A 108 
AA2 1 2  N LYS A 39  ? N LYS A 39  O ALA A 257 ? O ALA A 258 
AA2 2 3  O LYS A 256 ? O LYS A 257 N THR A 192 ? N THR A 193 
AA2 3 4  N GLY A 195 ? N GLY A 196 O VAL A 206 ? O VAL A 207 
AA2 4 5  O LEU A 211 ? O LEU A 212 N GLY A 144 ? N GLY A 145 
AA2 5 6  O ILE A 145 ? O ILE A 146 N LEU A 118 ? N LEU A 118 
AA2 6 7  O VAL A 121 ? O VAL A 121 N GLN A 92  ? N GLN A 92  
AA2 7 8  O LEU A 91  ? O LEU A 91  N PHE A 70  ? N PHE A 70  
AA2 8 9  O THR A 69  ? O THR A 69  N LEU A 57  ? N LEU A 57  
AA2 9 10 N ILE A 59  ? N ILE A 59  O ALA A 173 ? O ALA A 174 
AA3 1 2  N SER A 50  ? N SER A 50  O VAL A 78  ? O VAL A 78  
AA3 2 3  N LEU A 79  ? N LEU A 79  O TYR A 88  ? O TYR A 88  
AA3 3 4  N GLN A 92  ? N GLN A 92  O VAL A 121 ? O VAL A 121 
AA3 4 5  N LEU A 118 ? N LEU A 118 O ILE A 145 ? O ILE A 146 
AA3 5 6  N PHE A 146 ? N PHE A 147 O ILE A 215 ? O ILE A 216 
# 
_pdbx_entry_details.entry_id                   8TTR 
_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   N 
# 
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   A HOH 421 ? ? O A HOH 564 ? ? 1.82 
2 1 O   A HOH 427 ? ? O A HOH 472 ? ? 1.93 
3 1 ND1 A HIS 36  ? ? O A HOH 402 ? ? 2.07 
4 1 O   A HOH 485 ? ? O A HOH 562 ? ? 2.12 
# 
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 ARG A 27  ? ? -140.26 53.71   
2 1 LEU A 57  ? ? -120.07 -61.40  
3 1 ASN A 244 ? ? -93.51  49.91   
4 1 LYS A 252 ? A 57.86   -136.59 
5 1 LYS A 252 ? B 60.32   -137.89 
# 
_pdbx_unobs_or_zero_occ_residues.id               1 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num    1 
_pdbx_unobs_or_zero_occ_residues.polymer_flag     Y 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag   1 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id     A 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id     MET 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id      1 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code     ? 
_pdbx_unobs_or_zero_occ_residues.label_asym_id    A 
_pdbx_unobs_or_zero_occ_residues.label_comp_id    MET 
_pdbx_unobs_or_zero_occ_residues.label_seq_id     1 
# 
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 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
CYS N    N  N N 74  
CYS CA   C  N R 75  
CYS C    C  N N 76  
CYS O    O  N N 77  
CYS CB   C  N N 78  
CYS SG   S  N N 79  
CYS OXT  O  N N 80  
CYS H    H  N N 81  
CYS H2   H  N N 82  
CYS HA   H  N N 83  
CYS HB2  H  N N 84  
CYS HB3  H  N N 85  
CYS HG   H  N N 86  
CYS HXT  H  N N 87  
DMS S    S  N N 88  
DMS O    O  N N 89  
DMS C1   C  N N 90  
DMS C2   C  N N 91  
DMS H11  H  N N 92  
DMS H12  H  N N 93  
DMS H13  H  N N 94  
DMS H21  H  N N 95  
DMS H22  H  N N 96  
DMS H23  H  N N 97  
GLN N    N  N N 98  
GLN CA   C  N S 99  
GLN C    C  N N 100 
GLN O    O  N N 101 
GLN CB   C  N N 102 
GLN CG   C  N N 103 
GLN CD   C  N N 104 
GLN OE1  O  N N 105 
GLN NE2  N  N N 106 
GLN OXT  O  N N 107 
GLN H    H  N N 108 
GLN H2   H  N N 109 
GLN HA   H  N N 110 
GLN HB2  H  N N 111 
GLN HB3  H  N N 112 
GLN HG2  H  N N 113 
GLN HG3  H  N N 114 
GLN HE21 H  N N 115 
GLN HE22 H  N N 116 
GLN HXT  H  N N 117 
GLU N    N  N N 118 
GLU CA   C  N S 119 
GLU C    C  N N 120 
GLU O    O  N N 121 
GLU CB   C  N N 122 
GLU CG   C  N N 123 
GLU CD   C  N N 124 
GLU OE1  O  N N 125 
GLU OE2  O  N N 126 
GLU OXT  O  N N 127 
GLU H    H  N N 128 
GLU H2   H  N N 129 
GLU HA   H  N N 130 
GLU HB2  H  N N 131 
GLU HB3  H  N N 132 
GLU HG2  H  N N 133 
GLU HG3  H  N N 134 
GLU HE2  H  N N 135 
GLU HXT  H  N N 136 
GLY N    N  N N 137 
GLY CA   C  N N 138 
GLY C    C  N N 139 
GLY O    O  N N 140 
GLY OXT  O  N N 141 
GLY H    H  N N 142 
GLY H2   H  N N 143 
GLY HA2  H  N N 144 
GLY HA3  H  N N 145 
GLY HXT  H  N N 146 
GOL C1   C  N N 147 
GOL O1   O  N N 148 
GOL C2   C  N N 149 
GOL O2   O  N N 150 
GOL C3   C  N N 151 
GOL O3   O  N N 152 
GOL H11  H  N N 153 
GOL H12  H  N N 154 
GOL HO1  H  N N 155 
GOL H2   H  N N 156 
GOL HO2  H  N N 157 
GOL H31  H  N N 158 
GOL H32  H  N N 159 
GOL HO3  H  N N 160 
HIS N    N  N N 161 
HIS CA   C  N S 162 
HIS C    C  N N 163 
HIS O    O  N N 164 
HIS CB   C  N N 165 
HIS CG   C  Y N 166 
HIS ND1  N  Y N 167 
HIS CD2  C  Y N 168 
HIS CE1  C  Y N 169 
HIS NE2  N  Y N 170 
HIS OXT  O  N N 171 
HIS H    H  N N 172 
HIS H2   H  N N 173 
HIS HA   H  N N 174 
HIS HB2  H  N N 175 
HIS HB3  H  N N 176 
HIS HD1  H  N N 177 
HIS HD2  H  N N 178 
HIS HE1  H  N N 179 
HIS HE2  H  N N 180 
HIS HXT  H  N N 181 
HOH O    O  N N 182 
HOH H1   H  N N 183 
HOH H2   H  N N 184 
ILE N    N  N N 185 
ILE CA   C  N S 186 
ILE C    C  N N 187 
ILE O    O  N N 188 
ILE CB   C  N S 189 
ILE CG1  C  N N 190 
ILE CG2  C  N N 191 
ILE CD1  C  N N 192 
ILE OXT  O  N N 193 
ILE H    H  N N 194 
ILE H2   H  N N 195 
ILE HA   H  N N 196 
ILE HB   H  N N 197 
ILE HG12 H  N N 198 
ILE HG13 H  N N 199 
ILE HG21 H  N N 200 
ILE HG22 H  N N 201 
ILE HG23 H  N N 202 
ILE HD11 H  N N 203 
ILE HD12 H  N N 204 
ILE HD13 H  N N 205 
ILE HXT  H  N N 206 
LEU N    N  N N 207 
LEU CA   C  N S 208 
LEU C    C  N N 209 
LEU O    O  N N 210 
LEU CB   C  N N 211 
LEU CG   C  N N 212 
LEU CD1  C  N N 213 
LEU CD2  C  N N 214 
LEU OXT  O  N N 215 
LEU H    H  N N 216 
LEU H2   H  N N 217 
LEU HA   H  N N 218 
LEU HB2  H  N N 219 
LEU HB3  H  N N 220 
LEU HG   H  N N 221 
LEU HD11 H  N N 222 
LEU HD12 H  N N 223 
LEU HD13 H  N N 224 
LEU HD21 H  N N 225 
LEU HD22 H  N N 226 
LEU HD23 H  N N 227 
LEU HXT  H  N N 228 
LGO C16  C  Y N 229 
LGO C15  C  Y N 230 
LGO C23  C  Y N 231 
LGO C14  C  Y N 232 
LGO C13  C  Y N 233 
LGO C12  C  Y N 234 
LGO C10  C  Y N 235 
LGO C11  C  Y N 236 
LGO O35  O  N N 237 
LGO S02  S  N N 238 
LGO O34  O  N N 239 
LGO N01  N  N N 240 
LGO C03  C  Y N 241 
LGO C06  C  Y N 242 
LGO C07  C  Y N 243 
LGO C08  C  Y N 244 
LGO C05  C  Y N 245 
LGO C04  C  Y N 246 
LGO N09  N  Y N 247 
LGO N33  N  Y N 248 
LGO C32  C  Y N 249 
LGO C17  C  Y N 250 
LGO N18  N  N N 251 
LGO C19  C  N N 252 
LGO O31  O  N N 253 
LGO N20  N  N N 254 
LGO C21  C  Y N 255 
LGO C30  C  Y N 256 
LGO C29  C  Y N 257 
LGO C24  C  Y N 258 
LGO S25  S  N N 259 
LGO O26  O  N N 260 
LGO O28  O  N N 261 
LGO N27  N  N N 262 
LGO C22  C  Y N 263 
LGO H16  H  N N 264 
LGO H15  H  N N 265 
LGO H23  H  N N 266 
LGO H14  H  N N 267 
LGO H13  H  N N 268 
LGO H12  H  N N 269 
LGO H011 H  N N 270 
LGO H012 H  N N 271 
LGO H06  H  N N 272 
LGO H07  H  N N 273 
LGO H05  H  N N 274 
LGO H04  H  N N 275 
LGO H3   H  N N 276 
LGO HN18 H  N N 277 
LGO HN20 H  N N 278 
LGO H30  H  N N 279 
LGO H29  H  N N 280 
LGO H272 H  N N 281 
LGO H271 H  N N 282 
LGO H22  H  N N 283 
LYS N    N  N N 284 
LYS CA   C  N S 285 
LYS C    C  N N 286 
LYS O    O  N N 287 
LYS CB   C  N N 288 
LYS CG   C  N N 289 
LYS CD   C  N N 290 
LYS CE   C  N N 291 
LYS NZ   N  N N 292 
LYS OXT  O  N N 293 
LYS H    H  N N 294 
LYS H2   H  N N 295 
LYS HA   H  N N 296 
LYS HB2  H  N N 297 
LYS HB3  H  N N 298 
LYS HG2  H  N N 299 
LYS HG3  H  N N 300 
LYS HD2  H  N N 301 
LYS HD3  H  N N 302 
LYS HE2  H  N N 303 
LYS HE3  H  N N 304 
LYS HZ1  H  N N 305 
LYS HZ2  H  N N 306 
LYS HZ3  H  N N 307 
LYS HXT  H  N N 308 
MET N    N  N N 309 
MET CA   C  N S 310 
MET C    C  N N 311 
MET O    O  N N 312 
MET CB   C  N N 313 
MET CG   C  N N 314 
MET SD   S  N N 315 
MET CE   C  N N 316 
MET OXT  O  N N 317 
MET H    H  N N 318 
MET H2   H  N N 319 
MET HA   H  N N 320 
MET HB2  H  N N 321 
MET HB3  H  N N 322 
MET HG2  H  N N 323 
MET HG3  H  N N 324 
MET HE1  H  N N 325 
MET HE2  H  N N 326 
MET HE3  H  N N 327 
MET HXT  H  N N 328 
PHE N    N  N N 329 
PHE CA   C  N S 330 
PHE C    C  N N 331 
PHE O    O  N N 332 
PHE CB   C  N N 333 
PHE CG   C  Y N 334 
PHE CD1  C  Y N 335 
PHE CD2  C  Y N 336 
PHE CE1  C  Y N 337 
PHE CE2  C  Y N 338 
PHE CZ   C  Y N 339 
PHE OXT  O  N N 340 
PHE H    H  N N 341 
PHE H2   H  N N 342 
PHE HA   H  N N 343 
PHE HB2  H  N N 344 
PHE HB3  H  N N 345 
PHE HD1  H  N N 346 
PHE HD2  H  N N 347 
PHE HE1  H  N N 348 
PHE HE2  H  N N 349 
PHE HZ   H  N N 350 
PHE HXT  H  N N 351 
PRO N    N  N N 352 
PRO CA   C  N S 353 
PRO C    C  N N 354 
PRO O    O  N N 355 
PRO CB   C  N N 356 
PRO CG   C  N N 357 
PRO CD   C  N N 358 
PRO OXT  O  N N 359 
PRO H    H  N N 360 
PRO HA   H  N N 361 
PRO HB2  H  N N 362 
PRO HB3  H  N N 363 
PRO HG2  H  N N 364 
PRO HG3  H  N N 365 
PRO HD2  H  N N 366 
PRO HD3  H  N N 367 
PRO HXT  H  N N 368 
SER N    N  N N 369 
SER CA   C  N S 370 
SER C    C  N N 371 
SER O    O  N N 372 
SER CB   C  N N 373 
SER OG   O  N N 374 
SER OXT  O  N N 375 
SER H    H  N N 376 
SER H2   H  N N 377 
SER HA   H  N N 378 
SER HB2  H  N N 379 
SER HB3  H  N N 380 
SER HG   H  N N 381 
SER HXT  H  N N 382 
SO4 S    S  N N 383 
SO4 O1   O  N N 384 
SO4 O2   O  N N 385 
SO4 O3   O  N N 386 
SO4 O4   O  N N 387 
THR N    N  N N 388 
THR CA   C  N S 389 
THR C    C  N N 390 
THR O    O  N N 391 
THR CB   C  N R 392 
THR OG1  O  N N 393 
THR CG2  C  N N 394 
THR OXT  O  N N 395 
THR H    H  N N 396 
THR H2   H  N N 397 
THR HA   H  N N 398 
THR HB   H  N N 399 
THR HG1  H  N N 400 
THR HG21 H  N N 401 
THR HG22 H  N N 402 
THR HG23 H  N N 403 
THR HXT  H  N N 404 
TRP N    N  N N 405 
TRP CA   C  N S 406 
TRP C    C  N N 407 
TRP O    O  N N 408 
TRP CB   C  N N 409 
TRP CG   C  Y N 410 
TRP CD1  C  Y N 411 
TRP CD2  C  Y N 412 
TRP NE1  N  Y N 413 
TRP CE2  C  Y N 414 
TRP CE3  C  Y N 415 
TRP CZ2  C  Y N 416 
TRP CZ3  C  Y N 417 
TRP CH2  C  Y N 418 
TRP OXT  O  N N 419 
TRP H    H  N N 420 
TRP H2   H  N N 421 
TRP HA   H  N N 422 
TRP HB2  H  N N 423 
TRP HB3  H  N N 424 
TRP HD1  H  N N 425 
TRP HE1  H  N N 426 
TRP HE3  H  N N 427 
TRP HZ2  H  N N 428 
TRP HZ3  H  N N 429 
TRP HH2  H  N N 430 
TRP HXT  H  N N 431 
TYR N    N  N N 432 
TYR CA   C  N S 433 
TYR C    C  N N 434 
TYR O    O  N N 435 
TYR CB   C  N N 436 
TYR CG   C  Y N 437 
TYR CD1  C  Y N 438 
TYR CD2  C  Y N 439 
TYR CE1  C  Y N 440 
TYR CE2  C  Y N 441 
TYR CZ   C  Y N 442 
TYR OH   O  N N 443 
TYR OXT  O  N N 444 
TYR H    H  N N 445 
TYR H2   H  N N 446 
TYR HA   H  N N 447 
TYR HB2  H  N N 448 
TYR HB3  H  N N 449 
TYR HD1  H  N N 450 
TYR HD2  H  N N 451 
TYR HE1  H  N N 452 
TYR HE2  H  N N 453 
TYR HH   H  N N 454 
TYR HXT  H  N N 455 
VAL N    N  N N 456 
VAL CA   C  N S 457 
VAL C    C  N N 458 
VAL O    O  N N 459 
VAL CB   C  N N 460 
VAL CG1  C  N N 461 
VAL CG2  C  N N 462 
VAL OXT  O  N N 463 
VAL H    H  N N 464 
VAL H2   H  N N 465 
VAL HA   H  N N 466 
VAL HB   H  N N 467 
VAL HG11 H  N N 468 
VAL HG12 H  N N 469 
VAL HG13 H  N N 470 
VAL HG21 H  N N 471 
VAL HG22 H  N N 472 
VAL HG23 H  N N 473 
VAL HXT  H  N N 474 
ZN  ZN   ZN N N 475 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
DMS S   O    doub N N 83  
DMS S   C1   sing N N 84  
DMS S   C2   sing N N 85  
DMS C1  H11  sing N N 86  
DMS C1  H12  sing N N 87  
DMS C1  H13  sing N N 88  
DMS C2  H21  sing N N 89  
DMS C2  H22  sing N N 90  
DMS C2  H23  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
GOL C1  O1   sing N N 138 
GOL C1  C2   sing N N 139 
GOL C1  H11  sing N N 140 
GOL C1  H12  sing N N 141 
GOL O1  HO1  sing N N 142 
GOL C2  O2   sing N N 143 
GOL C2  C3   sing N N 144 
GOL C2  H2   sing N N 145 
GOL O2  HO2  sing N N 146 
GOL C3  O3   sing N N 147 
GOL C3  H31  sing N N 148 
GOL C3  H32  sing N N 149 
GOL O3  HO3  sing N N 150 
HIS N   CA   sing N N 151 
HIS N   H    sing N N 152 
HIS N   H2   sing N N 153 
HIS CA  C    sing N N 154 
HIS CA  CB   sing N N 155 
HIS CA  HA   sing N N 156 
HIS C   O    doub N N 157 
HIS C   OXT  sing N N 158 
HIS CB  CG   sing N N 159 
HIS CB  HB2  sing N N 160 
HIS CB  HB3  sing N N 161 
HIS CG  ND1  sing Y N 162 
HIS CG  CD2  doub Y N 163 
HIS ND1 CE1  doub Y N 164 
HIS ND1 HD1  sing N N 165 
HIS CD2 NE2  sing Y N 166 
HIS CD2 HD2  sing N N 167 
HIS CE1 NE2  sing Y N 168 
HIS CE1 HE1  sing N N 169 
HIS NE2 HE2  sing N N 170 
HIS OXT HXT  sing N N 171 
HOH O   H1   sing N N 172 
HOH O   H2   sing N N 173 
ILE N   CA   sing N N 174 
ILE N   H    sing N N 175 
ILE N   H2   sing N N 176 
ILE CA  C    sing N N 177 
ILE CA  CB   sing N N 178 
ILE CA  HA   sing N N 179 
ILE C   O    doub N N 180 
ILE C   OXT  sing N N 181 
ILE CB  CG1  sing N N 182 
ILE CB  CG2  sing N N 183 
ILE CB  HB   sing N N 184 
ILE CG1 CD1  sing N N 185 
ILE CG1 HG12 sing N N 186 
ILE CG1 HG13 sing N N 187 
ILE CG2 HG21 sing N N 188 
ILE CG2 HG22 sing N N 189 
ILE CG2 HG23 sing N N 190 
ILE CD1 HD11 sing N N 191 
ILE CD1 HD12 sing N N 192 
ILE CD1 HD13 sing N N 193 
ILE OXT HXT  sing N N 194 
LEU N   CA   sing N N 195 
LEU N   H    sing N N 196 
LEU N   H2   sing N N 197 
LEU CA  C    sing N N 198 
LEU CA  CB   sing N N 199 
LEU CA  HA   sing N N 200 
LEU C   O    doub N N 201 
LEU C   OXT  sing N N 202 
LEU CB  CG   sing N N 203 
LEU CB  HB2  sing N N 204 
LEU CB  HB3  sing N N 205 
LEU CG  CD1  sing N N 206 
LEU CG  CD2  sing N N 207 
LEU CG  HG   sing N N 208 
LEU CD1 HD11 sing N N 209 
LEU CD1 HD12 sing N N 210 
LEU CD1 HD13 sing N N 211 
LEU CD2 HD21 sing N N 212 
LEU CD2 HD22 sing N N 213 
LEU CD2 HD23 sing N N 214 
LEU OXT HXT  sing N N 215 
LGO C03 C04  doub Y N 216 
LGO C06 C03  sing Y N 217 
LGO C03 S02  sing N N 218 
LGO C04 C05  sing Y N 219 
LGO C05 C08  doub Y N 220 
LGO C07 C06  doub Y N 221 
LGO C08 C07  sing Y N 222 
LGO N09 C08  sing N N 223 
LGO C11 C10  sing N N 224 
LGO C10 C17  doub Y N 225 
LGO C10 N09  sing Y N 226 
LGO C11 C12  doub Y N 227 
LGO C16 C11  sing Y N 228 
LGO C12 C13  sing Y N 229 
LGO C13 C14  doub Y N 230 
LGO C14 C15  sing Y N 231 
LGO C15 C16  doub Y N 232 
LGO C17 C32  sing Y N 233 
LGO N18 C17  sing N N 234 
LGO C19 N18  sing N N 235 
LGO N20 C19  sing N N 236 
LGO O31 C19  doub N N 237 
LGO C21 C22  doub Y N 238 
LGO C30 C21  sing Y N 239 
LGO C21 N20  sing N N 240 
LGO C22 C23  sing Y N 241 
LGO C23 C24  doub Y N 242 
LGO C24 C29  sing Y N 243 
LGO S25 C24  sing N N 244 
LGO C29 C30  doub Y N 245 
LGO C32 N33  doub Y N 246 
LGO N01 S02  sing N N 247 
LGO N33 N09  sing Y N 248 
LGO N27 S25  sing N N 249 
LGO O26 S25  doub N N 250 
LGO O28 S25  doub N N 251 
LGO O34 S02  doub N N 252 
LGO S02 O35  doub N N 253 
LGO C16 H16  sing N N 254 
LGO C15 H15  sing N N 255 
LGO C23 H23  sing N N 256 
LGO C14 H14  sing N N 257 
LGO C13 H13  sing N N 258 
LGO C12 H12  sing N N 259 
LGO N01 H011 sing N N 260 
LGO N01 H012 sing N N 261 
LGO C06 H06  sing N N 262 
LGO C07 H07  sing N N 263 
LGO C05 H05  sing N N 264 
LGO C04 H04  sing N N 265 
LGO C32 H3   sing N N 266 
LGO N18 HN18 sing N N 267 
LGO N20 HN20 sing N N 268 
LGO C30 H30  sing N N 269 
LGO C29 H29  sing N N 270 
LGO N27 H272 sing N N 271 
LGO N27 H271 sing N N 272 
LGO C22 H22  sing N N 273 
LYS N   CA   sing N N 274 
LYS N   H    sing N N 275 
LYS N   H2   sing N N 276 
LYS CA  C    sing N N 277 
LYS CA  CB   sing N N 278 
LYS CA  HA   sing N N 279 
LYS C   O    doub N N 280 
LYS C   OXT  sing N N 281 
LYS CB  CG   sing N N 282 
LYS CB  HB2  sing N N 283 
LYS CB  HB3  sing N N 284 
LYS CG  CD   sing N N 285 
LYS CG  HG2  sing N N 286 
LYS CG  HG3  sing N N 287 
LYS CD  CE   sing N N 288 
LYS CD  HD2  sing N N 289 
LYS CD  HD3  sing N N 290 
LYS CE  NZ   sing N N 291 
LYS CE  HE2  sing N N 292 
LYS CE  HE3  sing N N 293 
LYS NZ  HZ1  sing N N 294 
LYS NZ  HZ2  sing N N 295 
LYS NZ  HZ3  sing N N 296 
LYS OXT HXT  sing N N 297 
MET N   CA   sing N N 298 
MET N   H    sing N N 299 
MET N   H2   sing N N 300 
MET CA  C    sing N N 301 
MET CA  CB   sing N N 302 
MET CA  HA   sing N N 303 
MET C   O    doub N N 304 
MET C   OXT  sing N N 305 
MET CB  CG   sing N N 306 
MET CB  HB2  sing N N 307 
MET CB  HB3  sing N N 308 
MET CG  SD   sing N N 309 
MET CG  HG2  sing N N 310 
MET CG  HG3  sing N N 311 
MET SD  CE   sing N N 312 
MET CE  HE1  sing N N 313 
MET CE  HE2  sing N N 314 
MET CE  HE3  sing N N 315 
MET OXT HXT  sing N N 316 
PHE N   CA   sing N N 317 
PHE N   H    sing N N 318 
PHE N   H2   sing N N 319 
PHE CA  C    sing N N 320 
PHE CA  CB   sing N N 321 
PHE CA  HA   sing N N 322 
PHE C   O    doub N N 323 
PHE C   OXT  sing N N 324 
PHE CB  CG   sing N N 325 
PHE CB  HB2  sing N N 326 
PHE CB  HB3  sing N N 327 
PHE CG  CD1  doub Y N 328 
PHE CG  CD2  sing Y N 329 
PHE CD1 CE1  sing Y N 330 
PHE CD1 HD1  sing N N 331 
PHE CD2 CE2  doub Y N 332 
PHE CD2 HD2  sing N N 333 
PHE CE1 CZ   doub Y N 334 
PHE CE1 HE1  sing N N 335 
PHE CE2 CZ   sing Y N 336 
PHE CE2 HE2  sing N N 337 
PHE CZ  HZ   sing N N 338 
PHE OXT HXT  sing N N 339 
PRO N   CA   sing N N 340 
PRO N   CD   sing N N 341 
PRO N   H    sing N N 342 
PRO CA  C    sing N N 343 
PRO CA  CB   sing N N 344 
PRO CA  HA   sing N N 345 
PRO C   O    doub N N 346 
PRO C   OXT  sing N N 347 
PRO CB  CG   sing N N 348 
PRO CB  HB2  sing N N 349 
PRO CB  HB3  sing N N 350 
PRO CG  CD   sing N N 351 
PRO CG  HG2  sing N N 352 
PRO CG  HG3  sing N N 353 
PRO CD  HD2  sing N N 354 
PRO CD  HD3  sing N N 355 
PRO OXT HXT  sing N N 356 
SER N   CA   sing N N 357 
SER N   H    sing N N 358 
SER N   H2   sing N N 359 
SER CA  C    sing N N 360 
SER CA  CB   sing N N 361 
SER CA  HA   sing N N 362 
SER C   O    doub N N 363 
SER C   OXT  sing N N 364 
SER CB  OG   sing N N 365 
SER CB  HB2  sing N N 366 
SER CB  HB3  sing N N 367 
SER OG  HG   sing N N 368 
SER OXT HXT  sing N N 369 
SO4 S   O1   doub N N 370 
SO4 S   O2   doub N N 371 
SO4 S   O3   sing N N 372 
SO4 S   O4   sing N N 373 
THR N   CA   sing N N 374 
THR N   H    sing N N 375 
THR N   H2   sing N N 376 
THR CA  C    sing N N 377 
THR CA  CB   sing N N 378 
THR CA  HA   sing N N 379 
THR C   O    doub N N 380 
THR C   OXT  sing N N 381 
THR CB  OG1  sing N N 382 
THR CB  CG2  sing N N 383 
THR CB  HB   sing N N 384 
THR OG1 HG1  sing N N 385 
THR CG2 HG21 sing N N 386 
THR CG2 HG22 sing N N 387 
THR CG2 HG23 sing N N 388 
THR OXT HXT  sing N N 389 
TRP N   CA   sing N N 390 
TRP N   H    sing N N 391 
TRP N   H2   sing N N 392 
TRP CA  C    sing N N 393 
TRP CA  CB   sing N N 394 
TRP CA  HA   sing N N 395 
TRP C   O    doub N N 396 
TRP C   OXT  sing N N 397 
TRP CB  CG   sing N N 398 
TRP CB  HB2  sing N N 399 
TRP CB  HB3  sing N N 400 
TRP CG  CD1  doub Y N 401 
TRP CG  CD2  sing Y N 402 
TRP CD1 NE1  sing Y N 403 
TRP CD1 HD1  sing N N 404 
TRP CD2 CE2  doub Y N 405 
TRP CD2 CE3  sing Y N 406 
TRP NE1 CE2  sing Y N 407 
TRP NE1 HE1  sing N N 408 
TRP CE2 CZ2  sing Y N 409 
TRP CE3 CZ3  doub Y N 410 
TRP CE3 HE3  sing N N 411 
TRP CZ2 CH2  doub Y N 412 
TRP CZ2 HZ2  sing N N 413 
TRP CZ3 CH2  sing Y N 414 
TRP CZ3 HZ3  sing N N 415 
TRP CH2 HH2  sing N N 416 
TRP OXT HXT  sing N N 417 
TYR N   CA   sing N N 418 
TYR N   H    sing N N 419 
TYR N   H2   sing N N 420 
TYR CA  C    sing N N 421 
TYR CA  CB   sing N N 422 
TYR CA  HA   sing N N 423 
TYR C   O    doub N N 424 
TYR C   OXT  sing N N 425 
TYR CB  CG   sing N N 426 
TYR CB  HB2  sing N N 427 
TYR CB  HB3  sing N N 428 
TYR CG  CD1  doub Y N 429 
TYR CG  CD2  sing Y N 430 
TYR CD1 CE1  sing Y N 431 
TYR CD1 HD1  sing N N 432 
TYR CD2 CE2  doub Y N 433 
TYR CD2 HD2  sing N N 434 
TYR CE1 CZ   doub Y N 435 
TYR CE1 HE1  sing N N 436 
TYR CE2 CZ   sing Y N 437 
TYR CE2 HE2  sing N N 438 
TYR CZ  OH   sing N N 439 
TYR OH  HH   sing N N 440 
TYR OXT HXT  sing N N 441 
VAL N   CA   sing N N 442 
VAL N   H    sing N N 443 
VAL N   H2   sing N N 444 
VAL CA  C    sing N N 445 
VAL CA  CB   sing N N 446 
VAL CA  HA   sing N N 447 
VAL C   O    doub N N 448 
VAL C   OXT  sing N N 449 
VAL CB  CG1  sing N N 450 
VAL CB  CG2  sing N N 451 
VAL CB  HB   sing N N 452 
VAL CG1 HG11 sing N N 453 
VAL CG1 HG12 sing N N 454 
VAL CG1 HG13 sing N N 455 
VAL CG2 HG21 sing N N 456 
VAL CG2 HG22 sing N N 457 
VAL CG2 HG23 sing N N 458 
VAL OXT HXT  sing N N 459 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   6VKG 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8TTR 
_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]   0.023719 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.005971 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.024088 
_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]   0.014309 
_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  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
H  1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030   
N  7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379 
O  8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508   
S  16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.0421   
ZN 30 30 14.0812 3.2655  7.0352 0.2333  5.1677 10.3163 2.4112 58.7097 1.0788   
# 
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   . SER A 1 2   ? 24.756  3.775   3.721   1.000 40.245 0 2   SER A N   1 ? 
ATOM   2    C  CA  . SER A 1 2   ? 25.885  2.837   3.957   1.000 41.729 0 2   SER A CA  1 ? 
ATOM   3    C  C   . SER A 1 2   ? 26.714  3.309   5.152   1.000 39.780 0 2   SER A C   1 ? 
ATOM   4    O  O   . SER A 1 2   ? 26.892  4.519   5.344   1.000 38.693 0 2   SER A O   1 ? 
ATOM   5    C  CB  . SER A 1 2   ? 26.737  2.701   2.716   1.000 39.622 0 2   SER A CB  1 ? 
ATOM   6    O  OG  . SER A 1 2   ? 27.903  1.982   3.028   1.000 39.719 0 2   SER A OG  1 ? 
ATOM   7    N  N   . HIS A 1 3   ? 27.216  2.348   5.951   1.000 34.979 0 3   HIS A N   1 ? 
ATOM   8    C  CA  . HIS A 1 3   ? 28.096  2.668   7.073   1.000 32.500 0 3   HIS A CA  1 ? 
ATOM   9    C  C   . HIS A 1 3   ? 29.127  1.554   7.272   1.000 30.609 0 3   HIS A C   1 ? 
ATOM   10   O  O   . HIS A 1 3   ? 29.003  0.465   6.721   1.000 31.933 0 3   HIS A O   1 ? 
ATOM   11   C  CB  . HIS A 1 3   ? 27.286  2.834   8.367   1.000 31.813 0 3   HIS A CB  1 ? 
ATOM   12   C  CG  . HIS A 1 3   ? 26.230  3.899   8.333   1.000 34.108 0 3   HIS A CG  1 ? 
ATOM   13   N  ND1 . HIS A 1 3   ? 26.511  5.252   8.345   1.000 41.830 0 3   HIS A ND1 1 ? 
ATOM   14   C  CD2 . HIS A 1 3   ? 24.883  3.805   8.335   1.000 36.083 0 3   HIS A CD2 1 ? 
ATOM   15   C  CE1 . HIS A 1 3   ? 25.371  5.946   8.313   1.000 38.930 0 3   HIS A CE1 1 ? 
ATOM   16   N  NE2 . HIS A 1 3   ? 24.368  5.086   8.319   1.000 39.096 0 3   HIS A NE2 1 ? 
ATOM   17   N  N   . HIS A 1 4   ? 30.117  1.795   8.128   1.000 27.396 0 4   HIS A N   1 ? 
ATOM   18   C  CA  . HIS A 1 4   ? 31.110  0.776   8.413   1.000 25.634 0 4   HIS A CA  1 ? 
ATOM   19   C  C   . HIS A 1 4   ? 30.489  -0.293  9.313   1.000 21.017 0 4   HIS A C   1 ? 
ATOM   20   O  O   . HIS A 1 4   ? 30.803  -1.453  9.170   1.000 20.573 0 4   HIS A O   1 ? 
ATOM   21   C  CB  . HIS A 1 4   ? 32.378  1.420   8.990   1.000 28.849 0 4   HIS A CB  1 ? 
ATOM   22   C  CG  . HIS A 1 4   ? 33.310  0.478   9.690   1.000 33.110 0 4   HIS A CG  1 ? 
ATOM   23   N  ND1 . HIS A 1 4   ? 34.280  -0.255  9.033   1.000 34.517 0 4   HIS A ND1 1 ? 
ATOM   24   C  CD2 . HIS A 1 4   ? 33.451  0.176   11.007  1.000 35.151 0 4   HIS A CD2 1 ? 
ATOM   25   C  CE1 . HIS A 1 4   ? 34.956  -1.004  9.909   1.000 34.406 0 4   HIS A CE1 1 ? 
ATOM   26   N  NE2 . HIS A 1 4   ? 34.463  -0.772  11.109  1.000 37.825 0 4   HIS A NE2 1 ? 
ATOM   27   N  N   . TRP A 1 5   ? 29.589  0.112   10.209  1.000 17.600 0 5   TRP A N   1 ? 
ATOM   28   C  CA  . TRP A 1 5   ? 28.977  -0.845  11.117  1.000 14.106 0 5   TRP A CA  1 ? 
ATOM   29   C  C   . TRP A 1 5   ? 27.972  -1.725  10.376  1.000 12.365 0 5   TRP A C   1 ? 
ATOM   30   O  O   . TRP A 1 5   ? 27.378  -1.363  9.362   1.000 14.486 0 5   TRP A O   1 ? 
ATOM   31   C  CB  . TRP A 1 5   ? 28.313  -0.142  12.312  1.000 13.638 0 5   TRP A CB  1 ? 
ATOM   32   C  CG  . TRP A 1 5   ? 27.081  0.651   11.948  1.000 13.039 0 5   TRP A CG  1 ? 
ATOM   33   C  CD1 . TRP A 1 5   ? 27.020  1.998   11.683  1.000 14.150 0 5   TRP A CD1 1 ? 
ATOM   34   C  CD2 . TRP A 1 5   ? 25.718  0.177   11.951  1.000 11.172 0 5   TRP A CD2 1 ? 
ATOM   35   N  NE1 . TRP A 1 5   ? 25.731  2.373   11.472  1.000 13.721 0 5   TRP A NE1 1 ? 
ATOM   36   C  CE2 . TRP A 1 5   ? 24.909  1.289   11.623  1.000 13.660 0 5   TRP A CE2 1 ? 
ATOM   37   C  CE3 . TRP A 1 5   ? 25.129  -1.056  12.201  1.000 12.062 0 5   TRP A CE3 1 ? 
ATOM   38   C  CZ2 . TRP A 1 5   ? 23.529  1.158   11.532  1.000 12.225 0 5   TRP A CZ2 1 ? 
ATOM   39   C  CZ3 . TRP A 1 5   ? 23.764  -1.177  12.093  1.000 12.000 0 5   TRP A CZ3 1 ? 
ATOM   40   C  CH2 . TRP A 1 5   ? 22.990  -0.067  11.796  1.000 12.532 0 5   TRP A CH2 1 ? 
ATOM   41   N  N   . GLY A 1 6   ? 27.772  -2.931  10.898  1.000 11.158 0 6   GLY A N   1 ? 
ATOM   42   C  CA  . GLY A 1 6   ? 26.752  -3.828  10.400  1.000 12.294 0 6   GLY A CA  1 ? 
ATOM   43   C  C   . GLY A 1 6   ? 26.466  -4.943  11.388  1.000 12.480 0 6   GLY A C   1 ? 
ATOM   44   O  O   . GLY A 1 6   ? 26.485  -4.715  12.605  1.000 11.767 0 6   GLY A O   1 ? 
ATOM   45   N  N   . TYR A 1 7   ? 26.206  -6.124  10.861  1.000 12.749 0 7   TYR A N   1 ? 
ATOM   46   C  CA  . TYR A 1 7   ? 25.740  -7.246  11.653  1.000 12.295 0 7   TYR A CA  1 ? 
ATOM   47   C  C   . TYR A 1 7   ? 26.606  -8.492  11.443  1.000 14.456 0 7   TYR A C   1 ? 
ATOM   48   O  O   . TYR A 1 7   ? 26.291  -9.557  11.948  1.000 18.609 0 7   TYR A O   1 ? 
ATOM   49   C  CB  . TYR A 1 7   ? 24.284  -7.576  11.352  1.000 12.041 0 7   TYR A CB  1 ? 
ATOM   50   C  CG  . TYR A 1 7   ? 23.320  -6.534  11.873  1.000 10.524 0 7   TYR A CG  1 ? 
ATOM   51   C  CD1 . TYR A 1 7   ? 22.956  -6.502  13.210  1.000 10.462 0 7   TYR A CD1 1 ? 
ATOM   52   C  CD2 . TYR A 1 7   ? 22.863  -5.509  11.061  1.000 10.794 0 7   TYR A CD2 1 ? 
ATOM   53   C  CE1 . TYR A 1 7   ? 22.117  -5.516  13.698  1.000 10.259 0 7   TYR A CE1 1 ? 
ATOM   54   C  CE2 . TYR A 1 7   ? 22.008  -4.523  11.525  1.000 10.902 0 7   TYR A CE2 1 ? 
ATOM   55   C  CZ  . TYR A 1 7   ? 21.575  -4.563  12.843  1.000 10.554 0 7   TYR A CZ  1 ? 
ATOM   56   O  OH  . TYR A 1 7   ? 20.741  -3.603  13.318  1.000 11.522 0 7   TYR A OH  1 ? 
ATOM   57   N  N   . GLY A 1 8   ? 27.722  -8.334  10.754  1.000 16.161 0 8   GLY A N   1 ? 
ATOM   58   C  CA  . GLY A 1 8   ? 28.614  -9.470  10.523  1.000 17.624 0 8   GLY A CA  1 ? 
ATOM   59   C  C   . GLY A 1 8   ? 29.620  -9.683  11.654  1.000 17.107 0 8   GLY A C   1 ? 
ATOM   60   O  O   . GLY A 1 8   ? 29.723  -8.894  12.595  1.000 16.483 0 8   GLY A O   1 ? 
ATOM   61   N  N   A LYS A 1 9   ? 30.452  -10.723 11.487  0.600 17.930 0 9   LYS A N   1 ? 
ATOM   62   N  N   B LYS A 1 9   ? 30.441  -10.729 11.483  0.400 17.442 0 9   LYS A N   1 ? 
ATOM   63   C  CA  A LYS A 1 9   ? 31.480  -11.061 12.458  0.600 19.156 0 9   LYS A CA  1 ? 
ATOM   64   C  CA  B LYS A 1 9   ? 31.490  -11.090 12.425  0.400 18.143 0 9   LYS A CA  1 ? 
ATOM   65   C  C   A LYS A 1 9   ? 32.438  -9.893  12.687  0.600 17.857 0 9   LYS A C   1 ? 
ATOM   66   C  C   B LYS A 1 9   ? 32.445  -9.921  12.672  0.400 17.798 0 9   LYS A C   1 ? 
ATOM   67   O  O   A LYS A 1 9   ? 32.911  -9.673  13.802  0.600 17.631 0 9   LYS A O   1 ? 
ATOM   68   O  O   B LYS A 1 9   ? 32.899  -9.709  13.797  0.400 17.913 0 9   LYS A O   1 ? 
ATOM   69   C  CB  A LYS A 1 9   ? 32.310  -12.251 11.958  0.600 22.691 0 9   LYS A CB  1 ? 
ATOM   70   C  CB  B LYS A 1 9   ? 32.251  -12.300 11.863  0.400 19.517 0 9   LYS A CB  1 ? 
ATOM   71   C  CG  A LYS A 1 9   ? 31.566  -13.571 11.794  0.600 26.365 0 9   LYS A CG  1 ? 
ATOM   72   C  CG  B LYS A 1 9   ? 33.572  -12.625 12.542  0.400 20.935 0 9   LYS A CG  1 ? 
ATOM   73   C  CD  A LYS A 1 9   ? 32.492  -14.738 11.455  0.600 29.142 0 9   LYS A CD  1 ? 
ATOM   74   C  CD  B LYS A 1 9   ? 34.256  -13.840 11.955  0.400 22.117 0 9   LYS A CD  1 ? 
ATOM   75   C  CE  A LYS A 1 9   ? 33.896  -14.532 11.990  0.600 33.076 0 9   LYS A CE  1 ? 
ATOM   76   C  CE  B LYS A 1 9   ? 35.473  -14.270 12.750  0.400 23.514 0 9   LYS A CE  1 ? 
ATOM   77   N  NZ  A LYS A 1 9   ? 34.702  -15.776 11.998  0.600 36.083 0 9   LYS A NZ  1 ? 
ATOM   78   N  NZ  B LYS A 1 9   ? 35.137  -14.389 14.182  0.400 24.281 0 9   LYS A NZ  1 ? 
ATOM   79   N  N   . HIS A 1 10  ? 32.778  -9.183  11.611  1.000 19.112 0 10  HIS A N   1 ? 
ATOM   80   C  CA  . HIS A 1 10  ? 33.830  -8.196  11.698  1.000 20.011 0 10  HIS A CA  1 ? 
ATOM   81   C  C   . HIS A 1 10  ? 33.303  -6.795  11.941  1.000 17.146 0 10  HIS A C   1 ? 
ATOM   82   O  O   . HIS A 1 10  ? 34.105  -5.974  12.374  1.000 19.247 0 10  HIS A O   1 ? 
ATOM   83   C  CB  . HIS A 1 10  ? 34.760  -8.287  10.481  1.000 23.059 0 10  HIS A CB  1 ? 
ATOM   84   C  CG  . HIS A 1 10  ? 35.441  -9.614  10.464  1.000 22.370 0 10  HIS A CG  1 ? 
ATOM   85   N  ND1 . HIS A 1 10  ? 36.469  -9.980  11.310  1.000 23.218 0 10  HIS A ND1 1 ? 
ATOM   86   C  CD2 . HIS A 1 10  ? 35.166  -10.670 9.706   1.000 25.978 0 10  HIS A CD2 1 ? 
ATOM   87   C  CE1 . HIS A 1 10  ? 36.799  -11.231 11.050  1.000 24.704 0 10  HIS A CE1 1 ? 
ATOM   88   N  NE2 . HIS A 1 10  ? 36.013  -11.668 10.086  1.000 23.911 0 10  HIS A NE2 1 ? 
ATOM   89   N  N   . ASN A 1 11  ? 31.963  -6.580  11.850  1.000 15.891 0 11  ASN A N   1 ? 
ATOM   90   C  CA  . ASN A 1 11  ? 31.464  -5.218  12.013  1.000 13.845 0 11  ASN A CA  1 ? 
ATOM   91   C  C   . ASN A 1 11  ? 30.171  -5.155  12.837  1.000 13.515 0 11  ASN A C   1 ? 
ATOM   92   O  O   . ASN A 1 11  ? 29.521  -4.095  12.884  1.000 12.571 0 11  ASN A O   1 ? 
ATOM   93   C  CB  . ASN A 1 11  ? 31.269  -4.566  10.651  1.000 15.283 0 11  ASN A CB  1 ? 
ATOM   94   C  CG  . ASN A 1 11  ? 30.149  -5.184  9.835   1.000 17.351 0 11  ASN A CG  1 ? 
ATOM   95   O  OD1 . ASN A 1 11  ? 29.570  -6.196  10.218  1.000 16.987 0 11  ASN A OD1 1 ? 
ATOM   96   N  ND2 . ASN A 1 11  ? 29.830  -4.628  8.666   1.000 19.089 0 11  ASN A ND2 1 ? 
ATOM   97   N  N   . GLY A 1 12  ? 29.859  -6.279  13.504  1.000 13.093 0 12  GLY A N   1 ? 
ATOM   98   C  CA  . GLY A 1 12  ? 28.593  -6.462  14.182  1.000 11.733 0 12  GLY A CA  1 ? 
ATOM   99   C  C   . GLY A 1 12  ? 28.567  -5.893  15.588  1.000 11.217 0 12  GLY A C   1 ? 
ATOM   100  O  O   . GLY A 1 12  ? 29.473  -5.193  16.032  1.000 10.369 0 12  GLY A O   1 ? 
ATOM   101  N  N   . PRO A 1 13  ? 27.480  -6.199  16.314  1.000 10.136 0 13  PRO A N   1 ? 
ATOM   102  C  CA  . PRO A 1 13  ? 27.277  -5.617  17.636  1.000 10.169 0 13  PRO A CA  1 ? 
ATOM   103  C  C   . PRO A 1 13  ? 28.431  -5.690  18.633  1.000 10.163 0 13  PRO A C   1 ? 
ATOM   104  O  O   . PRO A 1 13  ? 28.518  -4.795  19.466  1.000 11.003 0 13  PRO A O   1 ? 
ATOM   105  C  CB  . PRO A 1 13  ? 26.100  -6.453  18.175  1.000 10.856 0 13  PRO A CB  1 ? 
ATOM   106  C  CG  . PRO A 1 13  ? 25.279  -6.766  16.929  1.000 11.016 0 13  PRO A CG  1 ? 
ATOM   107  C  CD  . PRO A 1 13  ? 26.330  -7.006  15.843  1.000 10.531 0 13  PRO A CD  1 ? 
ATOM   108  N  N   . GLU A 1 14  ? 29.276  -6.721  18.591  1.000 11.332 0 14  GLU A N   1 ? 
ATOM   109  C  CA  . GLU A 1 14  ? 30.391  -6.765  19.525  1.000 13.181 0 14  GLU A CA  1 ? 
ATOM   110  C  C   . GLU A 1 14  ? 31.503  -5.784  19.179  1.000 12.126 0 14  GLU A C   1 ? 
ATOM   111  O  O   . GLU A 1 14  ? 32.370  -5.547  20.012  1.000 13.175 0 14  GLU A O   1 ? 
ATOM   112  C  CB  . GLU A 1 14  ? 30.980  -8.164  19.540  1.000 15.702 0 14  GLU A CB  1 ? 
ATOM   113  C  CG  . GLU A 1 14  ? 29.954  -9.226  19.886  1.000 20.448 0 14  GLU A CG  1 ? 
ATOM   114  C  CD  . GLU A 1 14  ? 29.045  -8.890  21.056  1.000 28.858 0 14  GLU A CD  1 ? 
ATOM   115  O  OE1 . GLU A 1 14  ? 29.615  -8.547  22.105  1.000 31.151 0 14  GLU A OE1 1 ? 
ATOM   116  O  OE2 . GLU A 1 14  ? 27.750  -8.951  20.910  1.000 33.549 0 14  GLU A OE2 1 ? 
ATOM   117  N  N   . HIS A 1 15  ? 31.441  -5.170  17.996  1.000 11.327 0 15  HIS A N   1 ? 
ATOM   118  C  CA  . HIS A 1 15  ? 32.407  -4.174  17.554  1.000 10.774 0 15  HIS A CA  1 ? 
ATOM   119  C  C   . HIS A 1 15  ? 31.945  -2.733  17.750  1.000 10.413 0 15  HIS A C   1 ? 
ATOM   120  O  O   . HIS A 1 15  ? 32.737  -1.806  17.725  1.000 10.133 0 15  HIS A O   1 ? 
ATOM   121  C  CB  . HIS A 1 15  ? 32.780  -4.376  16.084  1.000 10.635 0 15  HIS A CB  1 ? 
ATOM   122  C  CG  . HIS A 1 15  ? 33.511  -5.649  15.807  1.000 12.248 0 15  HIS A CG  1 ? 
ATOM   123  N  ND1 . HIS A 1 15  ? 34.902  -5.646  15.883  1.000 14.842 0 15  HIS A ND1 1 ? 
ATOM   124  C  CD2 . HIS A 1 15  ? 33.148  -6.864  15.414  1.000 14.510 0 15  HIS A CD2 1 ? 
ATOM   125  C  CE1 . HIS A 1 15  ? 35.341  -6.848  15.565  1.000 15.432 0 15  HIS A CE1 1 ? 
ATOM   126  N  NE2 . HIS A 1 15  ? 34.305  -7.626  15.287  1.000 16.234 0 15  HIS A NE2 1 ? 
ATOM   127  N  N   . TRP A 1 16  ? 30.620  -2.509  17.888  1.000 8.788  0 16  TRP A N   1 ? 
ATOM   128  C  CA  . TRP A 1 16  ? 30.065  -1.180  17.809  1.000 9.326  0 16  TRP A CA  1 ? 
ATOM   129  C  C   . TRP A 1 16  ? 30.613  -0.223  18.852  1.000 8.495  0 16  TRP A C   1 ? 
ATOM   130  O  O   . TRP A 1 16  ? 30.730  0.974   18.580  1.000 9.567  0 16  TRP A O   1 ? 
ATOM   131  C  CB  . TRP A 1 16  ? 28.544  -1.235  17.953  1.000 8.158  0 16  TRP A CB  1 ? 
ATOM   132  C  CG  . TRP A 1 16  ? 27.847  -1.913  16.817  1.000 8.053  0 16  TRP A CG  1 ? 
ATOM   133  C  CD1 . TRP A 1 16  ? 28.352  -2.321  15.621  1.000 8.210  0 16  TRP A CD1 1 ? 
ATOM   134  C  CD2 . TRP A 1 16  ? 26.440  -2.227  16.779  1.000 8.092  0 16  TRP A CD2 1 ? 
ATOM   135  N  NE1 . TRP A 1 16  ? 27.380  -2.889  14.847  1.000 9.389  0 16  TRP A NE1 1 ? 
ATOM   136  C  CE2 . TRP A 1 16  ? 26.204  -2.849  15.545  1.000 8.666  0 16  TRP A CE2 1 ? 
ATOM   137  C  CE3 . TRP A 1 16  ? 25.376  -2.061  17.677  1.000 7.921  0 16  TRP A CE3 1 ? 
ATOM   138  C  CZ2 . TRP A 1 16  ? 24.942  -3.293  15.151  1.000 9.178  0 16  TRP A CZ2 1 ? 
ATOM   139  C  CZ3 . TRP A 1 16  ? 24.141  -2.512  17.299  1.000 8.935  0 16  TRP A CZ3 1 ? 
ATOM   140  C  CH2 . TRP A 1 16  ? 23.931  -3.123  16.058  1.000 9.780  0 16  TRP A CH2 1 ? 
ATOM   141  N  N   . HIS A 1 17  ? 31.002  -0.738  20.024  1.000 9.272  0 17  HIS A N   1 ? 
ATOM   142  C  CA  . HIS A 1 17  ? 31.474  0.108   21.093  1.000 10.496 0 17  HIS A CA  1 ? 
ATOM   143  C  C   . HIS A 1 17  ? 32.738  0.906   20.733  1.000 10.856 0 17  HIS A C   1 ? 
ATOM   144  O  O   . HIS A 1 17  ? 32.979  1.909   21.386  1.000 11.276 0 17  HIS A O   1 ? 
ATOM   145  C  CB  . HIS A 1 17  ? 31.725  -0.686  22.375  1.000 10.231 0 17  HIS A CB  1 ? 
ATOM   146  C  CG  . HIS A 1 17  ? 32.931  -1.569  22.288  1.000 10.713 0 17  HIS A CG  1 ? 
ATOM   147  N  ND1 . HIS A 1 17  ? 34.128  -1.170  22.876  1.000 12.987 0 17  HIS A ND1 1 ? 
ATOM   148  C  CD2 . HIS A 1 17  ? 33.134  -2.753  21.732  1.000 11.681 0 17  HIS A CD2 1 ? 
ATOM   149  C  CE1 . HIS A 1 17  ? 35.022  -2.083  22.595  1.000 12.759 0 17  HIS A CE1 1 ? 
ATOM   150  N  NE2 . HIS A 1 17  ? 34.485  -3.051  21.932  1.000 12.502 0 17  HIS A NE2 1 ? 
ATOM   151  N  N   . LYS A 1 18  ? 33.520  0.467   19.738  1.000 12.021 0 18  LYS A N   1 ? 
ATOM   152  C  CA  . LYS A 1 18  ? 34.747  1.198   19.395  1.000 12.577 0 18  LYS A CA  1 ? 
ATOM   153  C  C   . LYS A 1 18  ? 34.429  2.558   18.762  1.000 13.566 0 18  LYS A C   1 ? 
ATOM   154  O  O   . LYS A 1 18  ? 35.048  3.555   19.107  1.000 15.681 0 18  LYS A O   1 ? 
ATOM   155  C  CB  . LYS A 1 18  ? 35.627  0.293   18.518  1.000 12.278 0 18  LYS A CB  1 ? 
ATOM   156  C  CG  . LYS A 1 18  ? 36.205  -0.916  19.265  1.000 12.895 0 18  LYS A CG  1 ? 
ATOM   157  C  CD  . LYS A 1 18  ? 36.947  -1.876  18.379  1.000 13.343 0 18  LYS A CD  1 ? 
ATOM   158  C  CE  . LYS A 1 18  ? 36.037  -2.796  17.616  1.000 13.099 0 18  LYS A CE  1 ? 
ATOM   159  N  NZ  . LYS A 1 18  ? 36.731  -3.572  16.578  1.000 13.149 0 18  LYS A NZ  1 ? 
ATOM   160  N  N   . ASP A 1 19  ? 33.409  2.637   17.907  1.000 12.942 0 19  ASP A N   1 ? 
ATOM   161  C  CA  . ASP A 1 19  ? 33.023  3.913   17.338  1.000 14.868 0 19  ASP A CA  1 ? 
ATOM   162  C  C   . ASP A 1 19  ? 31.920  4.585   18.153  1.000 13.927 0 19  ASP A C   1 ? 
ATOM   163  O  O   . ASP A 1 19  ? 31.805  5.809   18.118  1.000 14.230 0 19  ASP A O   1 ? 
ATOM   164  C  CB  . ASP A 1 19  ? 32.560  3.729   15.896  1.000 15.518 0 19  ASP A CB  1 ? 
ATOM   165  C  CG  . ASP A 1 19  ? 33.628  3.844   14.826  0.700 15.724 0 19  ASP A CG  1 ? 
ATOM   166  O  OD1 . ASP A 1 19  ? 34.697  4.390   15.125  0.700 17.227 0 19  ASP A OD1 1 ? 
ATOM   167  O  OD2 . ASP A 1 19  ? 33.317  3.497   13.688  0.700 20.104 0 19  ASP A OD2 1 ? 
ATOM   168  N  N   . PHE A 1 20  ? 31.154  3.798   18.944  1.000 11.495 0 20  PHE A N   1 ? 
ATOM   169  C  CA  . PHE A 1 20  ? 30.018  4.313   19.700  1.000 12.047 0 20  PHE A CA  1 ? 
ATOM   170  C  C   . PHE A 1 20  ? 30.110  3.843   21.153  1.000 12.025 0 20  PHE A C   1 ? 
ATOM   171  O  O   . PHE A 1 20  ? 29.482  2.852   21.548  1.000 10.385 0 20  PHE A O   1 ? 
ATOM   172  C  CB  . PHE A 1 20  ? 28.706  3.854   19.025  1.000 11.024 0 20  PHE A CB  1 ? 
ATOM   173  C  CG  . PHE A 1 20  ? 28.609  4.216   17.572  1.000 11.231 0 20  PHE A CG  1 ? 
ATOM   174  C  CD1 . PHE A 1 20  ? 28.233  5.507   17.202  1.000 13.098 0 20  PHE A CD1 1 ? 
ATOM   175  C  CD2 . PHE A 1 20  ? 28.962  3.312   16.593  1.000 12.139 0 20  PHE A CD2 1 ? 
ATOM   176  C  CE1 . PHE A 1 20  ? 28.213  5.856   15.860  1.000 13.160 0 20  PHE A CE1 1 ? 
ATOM   177  C  CE2 . PHE A 1 20  ? 28.967  3.680   15.253  1.000 12.351 0 20  PHE A CE2 1 ? 
ATOM   178  C  CZ  . PHE A 1 20  ? 28.567  4.952   14.906  1.000 13.382 0 20  PHE A CZ  1 ? 
ATOM   179  N  N   . PRO A 1 21  ? 30.998  4.428   21.990  1.000 12.375 0 21  PRO A N   1 ? 
ATOM   180  C  CA  . PRO A 1 21  ? 31.251  3.920   23.322  1.000 13.223 0 21  PRO A CA  1 ? 
ATOM   181  C  C   . PRO A 1 21  ? 30.013  3.810   24.214  1.000 12.835 0 21  PRO A C   1 ? 
ATOM   182  O  O   . PRO A 1 21  ? 30.034  3.023   25.141  1.000 12.400 0 21  PRO A O   1 ? 
ATOM   183  C  CB  . PRO A 1 21  ? 32.258  4.899   23.948  1.000 16.371 0 21  PRO A CB  1 ? 
ATOM   184  C  CG  . PRO A 1 21  ? 32.475  5.977   22.927  1.000 17.712 0 21  PRO A CG  1 ? 
ATOM   185  C  CD  . PRO A 1 21  ? 31.856  5.558   21.623  1.000 15.299 0 21  PRO A CD  1 ? 
ATOM   186  N  N   . ILE A 1 22  ? 28.941  4.563   23.890  1.000 11.961 0 22  ILE A N   1 ? 
ATOM   187  C  CA  . ILE A 1 22  ? 27.696  4.433   24.641  1.000 11.192 0 22  ILE A CA  1 ? 
ATOM   188  C  C   . ILE A 1 22  ? 27.099  3.023   24.490  1.000 10.562 0 22  ILE A C   1 ? 
ATOM   189  O  O   . ILE A 1 22  ? 26.206  2.714   25.271  1.000 11.106 0 22  ILE A O   1 ? 
ATOM   190  C  CB  . ILE A 1 22  ? 26.673  5.526   24.233  1.000 12.251 0 22  ILE A CB  1 ? 
ATOM   191  C  CG1 . ILE A 1 22  ? 25.635  5.829   25.317  1.000 13.850 0 22  ILE A CG1 1 ? 
ATOM   192  C  CG2 . ILE A 1 22  ? 25.975  5.212   22.924  1.000 11.180 0 22  ILE A CG2 1 ? 
ATOM   193  C  CD1 . ILE A 1 22  ? 26.202  6.368   26.567  1.000 17.419 0 22  ILE A CD1 1 ? 
ATOM   194  N  N   . ALA A 1 23  ? 27.590  2.200   23.565  1.000 9.808  0 23  ALA A N   1 ? 
ATOM   195  C  CA  . ALA A 1 23  ? 27.184  0.809   23.471  1.000 9.768  0 23  ALA A CA  1 ? 
ATOM   196  C  C   . ALA A 1 23  ? 27.288  0.075   24.798  1.000 10.408 0 23  ALA A C   1 ? 
ATOM   197  O  O   . ALA A 1 23  ? 26.607  -0.939  24.987  1.000 11.061 0 23  ALA A O   1 ? 
ATOM   198  C  CB  . ALA A 1 23  ? 28.003  0.100   22.417  1.000 9.348  0 23  ALA A CB  1 ? 
ATOM   199  N  N   . LYS A 1 24  ? 28.238  0.489   25.675  1.000 11.820 0 24  LYS A N   1 ? 
ATOM   200  C  CA  . LYS A 1 24  ? 28.409  -0.122  26.990  1.000 12.633 0 24  LYS A CA  1 ? 
ATOM   201  C  C   . LYS A 1 24  ? 27.821  0.753   28.105  1.000 12.542 0 24  LYS A C   1 ? 
ATOM   202  O  O   . LYS A 1 24  ? 28.189  0.607   29.278  1.000 13.719 0 24  LYS A O   1 ? 
ATOM   203  C  CB  . LYS A 1 24  ? 29.900  -0.351  27.245  1.000 14.297 0 24  LYS A CB  1 ? 
ATOM   204  C  CG  . LYS A 1 24  ? 30.525  -1.333  26.285  1.000 16.923 0 24  LYS A CG  1 ? 
ATOM   205  C  CD  . LYS A 1 24  ? 32.021  -1.456  26.550  1.000 21.527 0 24  LYS A CD  1 ? 
ATOM   206  C  CE  . LYS A 1 24  ? 32.660  -2.547  25.733  1.000 23.535 0 24  LYS A CE  1 ? 
ATOM   207  N  NZ  . LYS A 1 24  ? 32.379  -3.873  26.316  1.000 25.816 0 24  LYS A NZ  1 ? 
ATOM   208  N  N   . GLY A 1 25  ? 26.817  1.563   27.755  1.000 12.201 0 25  GLY A N   1 ? 
ATOM   209  C  CA  . GLY A 1 25  ? 26.177  2.505   28.666  1.000 12.060 0 25  GLY A CA  1 ? 
ATOM   210  C  C   . GLY A 1 25  ? 25.215  1.876   29.665  1.000 11.112 0 25  GLY A C   1 ? 
ATOM   211  O  O   . GLY A 1 25  ? 25.045  0.656   29.711  1.000 11.979 0 25  GLY A O   1 ? 
ATOM   212  N  N   . GLU A 1 26  ? 24.568  2.775   30.413  1.000 12.077 0 26  GLU A N   1 ? 
ATOM   213  C  CA  . GLU A 1 26  ? 23.713  2.379   31.512  1.000 13.863 0 26  GLU A CA  1 ? 
ATOM   214  C  C   . GLU A 1 26  ? 22.266  2.104   31.075  1.000 12.409 0 26  GLU A C   1 ? 
ATOM   215  O  O   . GLU A 1 26  ? 21.484  1.651   31.897  1.000 13.808 0 26  GLU A O   1 ? 
ATOM   216  C  CB  . GLU A 1 26  ? 23.758  3.492   32.571  1.000 17.305 0 26  GLU A CB  1 ? 
ATOM   217  C  CG  . GLU A 1 26  ? 25.117  3.672   33.233  1.000 22.492 0 26  GLU A CG  1 ? 
ATOM   218  C  CD  . GLU A 1 26  ? 25.755  2.403   33.773  1.000 25.389 0 26  GLU A CD  1 ? 
ATOM   219  O  OE1 . GLU A 1 26  ? 25.160  1.753   34.641  1.000 30.604 0 26  GLU A OE1 1 ? 
ATOM   220  O  OE2 . GLU A 1 26  ? 26.840  2.059   33.298  1.000 35.609 0 26  GLU A OE2 1 ? 
ATOM   221  N  N   . ARG A 1 27  ? 21.864  2.479   29.861  1.000 10.165 0 27  ARG A N   1 ? 
ATOM   222  C  CA  . ARG A 1 27  ? 20.464  2.321   29.469  1.000 10.248 0 27  ARG A CA  1 ? 
ATOM   223  C  C   . ARG A 1 27  ? 20.391  1.851   28.009  1.000 8.151  0 27  ARG A C   1 ? 
ATOM   224  O  O   . ARG A 1 27  ? 19.655  2.417   27.191  1.000 7.713  0 27  ARG A O   1 ? 
ATOM   225  C  CB  . ARG A 1 27  ? 19.630  3.562   29.806  1.000 11.017 0 27  ARG A CB  1 ? 
ATOM   226  C  CG  . ARG A 1 27  ? 20.045  4.829   29.108  1.000 13.664 0 27  ARG A CG  1 ? 
ATOM   227  C  CD  . ARG A 1 27  ? 19.026  5.935   29.334  1.000 13.619 0 27  ARG A CD  1 ? 
ATOM   228  N  NE  . ARG A 1 27  ? 17.823  5.835   28.504  1.000 12.168 0 27  ARG A NE  1 ? 
ATOM   229  C  CZ  . ARG A 1 27  ? 16.830  6.715   28.525  1.000 12.200 0 27  ARG A CZ  1 ? 
ATOM   230  N  NH1 . ARG A 1 27  ? 16.845  7.752   29.387  1.000 11.805 0 27  ARG A NH1 1 ? 
ATOM   231  N  NH2 . ARG A 1 27  ? 15.807  6.585   27.709  1.000 13.125 0 27  ARG A NH2 1 ? 
ATOM   232  N  N   . GLN A 1 28  ? 21.100  0.741   27.696  1.000 8.996  0 28  GLN A N   1 ? 
ATOM   233  C  CA  . GLN A 1 28  ? 21.102  0.224   26.330  1.000 8.372  0 28  GLN A CA  1 ? 
ATOM   234  C  C   . GLN A 1 28  ? 19.938  -0.734  26.099  1.000 8.047  0 28  GLN A C   1 ? 
ATOM   235  O  O   . GLN A 1 28  ? 19.430  -1.389  27.003  1.000 9.039  0 28  GLN A O   1 ? 
ATOM   236  C  CB  . GLN A 1 28  ? 22.447  -0.442  26.076  1.000 8.625  0 28  GLN A CB  1 ? 
ATOM   237  C  CG  . GLN A 1 28  ? 23.575  0.570   25.992  1.000 9.628  0 28  GLN A CG  1 ? 
ATOM   238  C  CD  . GLN A 1 28  ? 23.449  1.362   24.715  1.000 8.811  0 28  GLN A CD  1 ? 
ATOM   239  O  OE1 . GLN A 1 28  ? 23.648  0.808   23.622  1.000 8.767  0 28  GLN A OE1 1 ? 
ATOM   240  N  NE2 . GLN A 1 28  ? 23.116  2.641   24.808  1.000 8.872  0 28  GLN A NE2 1 ? 
ATOM   241  N  N   . SER A 1 29  ? 19.602  -0.822  24.814  1.000 8.118  0 29  SER A N   1 ? 
ATOM   242  C  CA  . SER A 1 29  ? 18.540  -1.702  24.340  1.000 6.717  0 29  SER A CA  1 ? 
ATOM   243  C  C   . SER A 1 29  ? 19.061  -2.607  23.236  1.000 7.292  0 29  SER A C   1 ? 
ATOM   244  O  O   . SER A 1 29  ? 20.028  -2.254  22.550  1.000 7.738  0 29  SER A O   1 ? 
ATOM   245  C  CB  . SER A 1 29  ? 17.407  -0.894  23.817  1.000 7.385  0 29  SER A CB  1 ? 
ATOM   246  O  OG  . SER A 1 29  ? 16.760  -0.122  24.847  1.000 6.575  0 29  SER A OG  1 ? 
ATOM   247  N  N   . PRO A 1 30  ? 18.424  -3.747  22.957  1.000 7.180  0 30  PRO A N   1 ? 
ATOM   248  C  CA  . PRO A 1 30  ? 17.270  -4.292  23.679  1.000 6.858  0 30  PRO A CA  1 ? 
ATOM   249  C  C   . PRO A 1 30  ? 17.655  -4.963  24.990  1.000 6.771  0 30  PRO A C   1 ? 
ATOM   250  O  O   . PRO A 1 30  ? 18.853  -4.957  25.354  1.000 7.400  0 30  PRO A O   1 ? 
ATOM   251  C  CB  . PRO A 1 30  ? 16.743  -5.310  22.655  1.000 6.543  0 30  PRO A CB  1 ? 
ATOM   252  C  CG  . PRO A 1 30  ? 18.038  -5.915  22.088  1.000 6.925  0 30  PRO A CG  1 ? 
ATOM   253  C  CD  . PRO A 1 30  ? 18.890  -4.679  21.914  1.000 7.168  0 30  PRO A CD  1 ? 
ATOM   254  N  N   . VAL A 1 31  ? 16.654  -5.440  25.721  1.000 7.338  0 31  VAL A N   1 ? 
ATOM   255  C  CA  . VAL A 1 31  ? 16.839  -6.206  26.935  1.000 7.534  0 31  VAL A CA  1 ? 
ATOM   256  C  C   . VAL A 1 31  ? 15.961  -7.438  26.897  1.000 7.859  0 31  VAL A C   1 ? 
ATOM   257  O  O   . VAL A 1 31  ? 14.996  -7.516  26.141  1.000 7.683  0 31  VAL A O   1 ? 
ATOM   258  C  CB  . VAL A 1 31  ? 16.531  -5.361  28.187  1.000 8.327  0 31  VAL A CB  1 ? 
ATOM   259  C  CG1 . VAL A 1 31  ? 17.441  -4.161  28.297  1.000 9.472  0 31  VAL A CG1 1 ? 
ATOM   260  C  CG2 . VAL A 1 31  ? 15.073  -4.961  28.246  1.000 8.491  0 31  VAL A CG2 1 ? 
ATOM   261  N  N   . ASP A 1 32  ? 16.299  -8.400  27.755  1.000 7.981  0 32  ASP A N   1 ? 
ATOM   262  C  CA  . ASP A 1 32  ? 15.390  -9.484  28.067  1.000 8.150  0 32  ASP A CA  1 ? 
ATOM   263  C  C   . ASP A 1 32  ? 14.338  -8.977  29.060  1.000 8.686  0 32  ASP A C   1 ? 
ATOM   264  O  O   . ASP A 1 32  ? 14.657  -8.305  30.036  1.000 9.906  0 32  ASP A O   1 ? 
ATOM   265  C  CB  . ASP A 1 32  ? 16.138  -10.658 28.681  1.000 8.910  0 32  ASP A CB  1 ? 
ATOM   266  C  CG  . ASP A 1 32  ? 15.176  -11.793 28.985  1.000 10.914 0 32  ASP A CG  1 ? 
ATOM   267  O  OD1 . ASP A 1 32  ? 14.472  -12.255 28.061  1.000 9.355  0 32  ASP A OD1 1 ? 
ATOM   268  O  OD2 . ASP A 1 32  ? 15.141  -12.240 30.188  1.000 14.504 0 32  ASP A OD2 1 ? 
ATOM   269  N  N   . ILE A 1 33  ? 13.073  -9.239  28.744  1.000 8.991  0 33  ILE A N   1 ? 
ATOM   270  C  CA  . ILE A 1 33  ? 11.962  -8.879  29.611  1.000 9.299  0 33  ILE A CA  1 ? 
ATOM   271  C  C   . ILE A 1 33  ? 11.634  -10.110 30.436  1.000 9.152  0 33  ILE A C   1 ? 
ATOM   272  O  O   . ILE A 1 33  ? 11.072  -11.068 29.931  1.000 9.378  0 33  ILE A O   1 ? 
ATOM   273  C  CB  . ILE A 1 33  ? 10.764  -8.428  28.756  1.000 9.013  0 33  ILE A CB  1 ? 
ATOM   274  C  CG1 . ILE A 1 33  ? 11.079  -7.210  27.909  1.000 10.180 0 33  ILE A CG1 1 ? 
ATOM   275  C  CG2 . ILE A 1 33  ? 9.594   -8.155  29.661  1.000 10.093 0 33  ILE A CG2 1 ? 
ATOM   276  C  CD1 . ILE A 1 33  ? 10.115  -6.947  26.755  1.000 10.813 0 33  ILE A CD1 1 ? 
ATOM   277  N  N   . ASP A 1 34  ? 12.017  -10.072 31.710  1.000 11.002 0 34  ASP A N   1 ? 
ATOM   278  C  CA  . ASP A 1 34  ? 11.703  -11.162 32.626  1.000 11.217 0 34  ASP A CA  1 ? 
ATOM   279  C  C   . ASP A 1 34  ? 10.320  -10.868 33.207  1.000 11.935 0 34  ASP A C   1 ? 
ATOM   280  O  O   . ASP A 1 34  ? 10.152  -9.892  33.924  1.000 11.500 0 34  ASP A O   1 ? 
ATOM   281  C  CB  . ASP A 1 34  ? 12.750  -11.244 33.748  1.000 11.729 0 34  ASP A CB  1 ? 
ATOM   282  C  CG  . ASP A 1 34  ? 12.452  -12.292 34.824  1.000 15.857 0 34  ASP A CG  1 ? 
ATOM   283  O  OD1 . ASP A 1 34  ? 11.298  -12.673 34.998  1.000 20.288 0 34  ASP A OD1 1 ? 
ATOM   284  O  OD2 . ASP A 1 34  ? 13.412  -12.718 35.475  1.000 26.161 0 34  ASP A OD2 1 ? 
ATOM   285  N  N   . THR A 1 35  ? 9.330   -11.617 32.776  1.000 11.603 0 35  THR A N   1 ? 
ATOM   286  C  CA  . THR A 1 35  ? 7.927   -11.345 33.025  1.000 13.305 0 35  THR A CA  1 ? 
ATOM   287  C  C   . THR A 1 35  ? 7.614   -11.477 34.501  1.000 15.254 0 35  THR A C   1 ? 
ATOM   288  O  O   . THR A 1 35  ? 6.628   -10.890 34.952  1.000 16.971 0 35  THR A O   1 ? 
ATOM   289  C  CB  . THR A 1 35  ? 6.987   -12.222 32.198  1.000 15.174 0 35  THR A CB  1 ? 
ATOM   290  O  OG1 . THR A 1 35  ? 7.151   -13.593 32.564  1.000 15.000 0 35  THR A OG1 1 ? 
ATOM   291  C  CG2 . THR A 1 35  ? 7.195   -12.080 30.707  1.000 16.570 0 35  THR A CG2 1 ? 
ATOM   292  N  N   . HIS A 1 36  ? 8.488   -12.185 35.251  1.000 15.080 0 36  HIS A N   1 ? 
ATOM   293  C  CA  . HIS A 1 36  ? 8.288   -12.383 36.695  1.000 16.190 0 36  HIS A CA  1 ? 
ATOM   294  C  C   . HIS A 1 36  ? 9.010   -11.362 37.590  1.000 17.382 0 36  HIS A C   1 ? 
ATOM   295  O  O   . HIS A 1 36  ? 8.968   -11.427 38.832  1.000 21.443 0 36  HIS A O   1 ? 
ATOM   296  C  CB  . HIS A 1 36  ? 8.731   -13.810 37.057  1.000 16.843 0 36  HIS A CB  1 ? 
ATOM   297  C  CG  . HIS A 1 36  ? 7.950   -14.871 36.380  1.000 17.713 0 36  HIS A CG  1 ? 
ATOM   298  N  ND1 . HIS A 1 36  ? 8.440   -15.584 35.298  1.000 19.189 0 36  HIS A ND1 1 ? 
ATOM   299  C  CD2 . HIS A 1 36  ? 6.732   -15.383 36.631  1.000 21.227 0 36  HIS A CD2 1 ? 
ATOM   300  C  CE1 . HIS A 1 36  ? 7.533   -16.449 34.914  1.000 17.539 0 36  HIS A CE1 1 ? 
ATOM   301  N  NE2 . HIS A 1 36  ? 6.466   -16.352 35.689  1.000 21.219 0 36  HIS A NE2 1 ? 
ATOM   302  N  N   A THR A 1 37  ? 9.755   -10.450 36.980  0.500 15.430 0 37  THR A N   1 ? 
ATOM   303  N  N   B THR A 1 37  ? 9.731   -10.417 37.002  0.500 15.353 0 37  THR A N   1 ? 
ATOM   304  C  CA  A THR A 1 37  ? 10.367  -9.340  37.679  0.500 15.512 0 37  THR A CA  1 ? 
ATOM   305  C  CA  B THR A 1 37  ? 10.272  -9.324  37.780  0.500 15.467 0 37  THR A CA  1 ? 
ATOM   306  C  C   A THR A 1 37  ? 9.631   -8.035  37.352  0.500 14.138 0 37  THR A C   1 ? 
ATOM   307  C  C   B THR A 1 37  ? 9.846   -7.962  37.231  0.500 14.377 0 37  THR A C   1 ? 
ATOM   308  O  O   A THR A 1 37  ? 9.566   -7.126  38.160  0.500 12.252 0 37  THR A O   1 ? 
ATOM   309  O  O   B THR A 1 37  ? 10.256  -6.943  37.764  0.500 14.023 0 37  THR A O   1 ? 
ATOM   310  C  CB  A THR A 1 37  ? 11.856  -9.302  37.333  0.500 17.452 0 37  THR A CB  1 ? 
ATOM   311  C  CB  B THR A 1 37  ? 11.786  -9.476  37.894  0.500 17.071 0 37  THR A CB  1 ? 
ATOM   312  O  OG1 A THR A 1 37  ? 12.350  -10.573 37.768  0.500 20.403 0 37  THR A OG1 1 ? 
ATOM   313  O  OG1 B THR A 1 37  ? 12.326  -9.445  36.573  0.500 17.706 0 37  THR A OG1 1 ? 
ATOM   314  C  CG2 A THR A 1 37  ? 12.591  -8.148  37.976  0.500 18.382 0 37  THR A CG2 1 ? 
ATOM   315  C  CG2 B THR A 1 37  ? 12.158  -10.762 38.606  0.500 16.884 0 37  THR A CG2 1 ? 
ATOM   316  N  N   . ALA A 1 38  ? 9.044   -7.945  36.157  1.000 14.428 0 38  ALA A N   1 ? 
ATOM   317  C  CA  . ALA A 1 38  ? 8.373   -6.727  35.736  1.000 14.437 0 38  ALA A CA  1 ? 
ATOM   318  C  C   . ALA A 1 38  ? 7.252   -6.447  36.733  1.000 16.002 0 38  ALA A C   1 ? 
ATOM   319  O  O   . ALA A 1 38  ? 6.655   -7.356  37.271  1.000 18.210 0 38  ALA A O   1 ? 
ATOM   320  C  CB  . ALA A 1 38  ? 7.843   -6.861  34.331  1.000 15.277 0 38  ALA A CB  1 ? 
ATOM   321  N  N   . LYS A 1 39  ? 7.044   -5.184  37.025  1.000 14.878 0 39  LYS A N   1 ? 
ATOM   322  C  CA  . LYS A 1 39  ? 6.089   -4.749  38.037  1.000 17.059 0 39  LYS A CA  1 ? 
ATOM   323  C  C   . LYS A 1 39  ? 4.867   -4.175  37.314  1.000 14.952 0 39  LYS A C   1 ? 
ATOM   324  O  O   . LYS A 1 39  ? 5.009   -3.213  36.586  1.000 13.124 0 39  LYS A O   1 ? 
ATOM   325  C  CB  . LYS A 1 39  ? 6.842   -3.740  38.907  1.000 19.493 0 39  LYS A CB  1 ? 
ATOM   326  C  CG  . LYS A 1 39  ? 6.068   -2.888  39.898  1.000 22.308 0 39  LYS A CG  1 ? 
ATOM   327  C  CD  . LYS A 1 39  ? 5.752   -3.564  41.190  1.000 22.109 0 39  LYS A CD  1 ? 
ATOM   328  C  CE  . LYS A 1 39  ? 4.999   -2.619  42.108  1.000 25.512 0 39  LYS A CE  1 ? 
ATOM   329  N  NZ  . LYS A 1 39  ? 4.534   -3.339  43.296  1.000 28.263 0 39  LYS A NZ  1 ? 
ATOM   330  N  N   . TYR A 1 40  ? 3.665   -4.677  37.608  1.000 14.859 0 40  TYR A N   1 ? 
ATOM   331  C  CA  . TYR A 1 40  ? 2.435   -3.978  37.249  1.000 16.146 0 40  TYR A CA  1 ? 
ATOM   332  C  C   . TYR A 1 40  ? 2.433   -2.583  37.870  1.000 15.401 0 40  TYR A C   1 ? 
ATOM   333  O  O   . TYR A 1 40  ? 2.639   -2.423  39.086  1.000 16.324 0 40  TYR A O   1 ? 
ATOM   334  C  CB  . TYR A 1 40  ? 1.177   -4.721  37.704  1.000 19.007 0 40  TYR A CB  1 ? 
ATOM   335  C  CG  . TYR A 1 40  ? -0.099  -3.941  37.507  1.000 23.222 0 40  TYR A CG  1 ? 
ATOM   336  C  CD1 . TYR A 1 40  ? -0.501  -3.490  36.260  1.000 22.935 0 40  TYR A CD1 1 ? 
ATOM   337  C  CD2 . TYR A 1 40  ? -0.932  -3.687  38.596  1.000 28.948 0 40  TYR A CD2 1 ? 
ATOM   338  C  CE1 . TYR A 1 40  ? -1.692  -2.806  36.095  1.000 26.773 0 40  TYR A CE1 1 ? 
ATOM   339  C  CE2 . TYR A 1 40  ? -2.113  -2.988  38.450  1.000 33.522 0 40  TYR A CE2 1 ? 
ATOM   340  C  CZ  . TYR A 1 40  ? -2.504  -2.568  37.193  1.000 35.353 0 40  TYR A CZ  1 ? 
ATOM   341  O  OH  . TYR A 1 40  ? -3.654  -1.854  37.073  1.000 43.995 0 40  TYR A OH  1 ? 
ATOM   342  N  N   . ASP A 1 41  ? 2.165   -1.558  37.064  1.000 14.788 0 41  ASP A N   1 ? 
ATOM   343  C  CA  . ASP A 1 41  ? 2.219   -0.168  37.486  1.000 17.057 0 41  ASP A CA  1 ? 
ATOM   344  C  C   . ASP A 1 41  ? 0.830   0.445   37.302  1.000 22.705 0 41  ASP A C   1 ? 
ATOM   345  O  O   . ASP A 1 41  ? 0.490   0.927   36.222  1.000 21.942 0 41  ASP A O   1 ? 
ATOM   346  C  CB  . ASP A 1 41  ? 3.311   0.618   36.746  1.000 19.837 0 41  ASP A CB  1 ? 
ATOM   347  C  CG  . ASP A 1 41  ? 3.578   2.053   37.195  1.000 24.082 0 41  ASP A CG  1 ? 
ATOM   348  O  OD1 . ASP A 1 41  ? 2.784   2.576   37.945  1.000 26.635 0 41  ASP A OD1 1 ? 
ATOM   349  O  OD2 . ASP A 1 41  ? 4.597   2.621   36.747  1.000 29.316 0 41  ASP A OD2 1 ? 
ATOM   350  N  N   . PRO A 1 42  ? -0.003  0.520   38.369  1.000 27.441 0 42  PRO A N   1 ? 
ATOM   351  C  CA  . PRO A 1 42  ? -1.394  0.959   38.235  1.000 29.925 0 42  PRO A CA  1 ? 
ATOM   352  C  C   . PRO A 1 42  ? -1.495  2.407   37.781  1.000 28.585 0 42  PRO A C   1 ? 
ATOM   353  O  O   . PRO A 1 42  ? -2.547  2.806   37.277  1.000 36.916 0 42  PRO A O   1 ? 
ATOM   354  C  CB  . PRO A 1 42  ? -1.970  0.811   39.658  1.000 30.802 0 42  PRO A CB  1 ? 
ATOM   355  C  CG  . PRO A 1 42  ? -0.767  0.943   40.550  1.000 29.935 0 42  PRO A CG  1 ? 
ATOM   356  C  CD  . PRO A 1 42  ? 0.356   0.268   39.779  1.000 29.057 0 42  PRO A CD  1 ? 
ATOM   357  N  N   . SER A 1 43  ? -0.425  3.185   37.971  1.000 31.493 0 43  SER A N   1 ? 
ATOM   358  C  CA  . SER A 1 43  ? -0.423  4.598   37.624  1.000 37.370 0 43  SER A CA  1 ? 
ATOM   359  C  C   . SER A 1 43  ? -0.160  4.877   36.138  1.000 36.071 0 43  SER A C   1 ? 
ATOM   360  O  O   . SER A 1 43  ? -0.242  6.035   35.735  1.000 37.216 0 43  SER A O   1 ? 
ATOM   361  C  CB  . SER A 1 43  ? 0.572   5.359   38.457  1.000 37.764 0 43  SER A CB  1 ? 
ATOM   362  O  OG  . SER A 1 43  ? 1.909   5.056   38.091  1.000 42.179 0 43  SER A OG  1 ? 
ATOM   363  N  N   . LEU A 1 44  ? 0.221   3.875   35.328  1.000 29.779 0 44  LEU A N   1 ? 
ATOM   364  C  CA  . LEU A 1 44  ? 0.401   4.146   33.903  1.000 25.041 0 44  LEU A CA  1 ? 
ATOM   365  C  C   . LEU A 1 44  ? -0.950  4.614   33.345  1.000 29.751 0 44  LEU A C   1 ? 
ATOM   366  O  O   . LEU A 1 44  ? -1.965  4.009   33.635  1.000 30.759 0 44  LEU A O   1 ? 
ATOM   367  C  CB  . LEU A 1 44  ? 0.920   2.890   33.201  1.000 21.594 0 44  LEU A CB  1 ? 
ATOM   368  C  CG  . LEU A 1 44  ? 2.390   2.524   33.444  1.000 19.007 0 44  LEU A CG  1 ? 
ATOM   369  C  CD1 . LEU A 1 44  ? 2.645   1.084   33.062  1.000 20.447 0 44  LEU A CD1 1 ? 
ATOM   370  C  CD2 . LEU A 1 44  ? 3.341   3.403   32.670  1.000 19.345 0 44  LEU A CD2 1 ? 
ATOM   371  N  N   . LYS A 1 45  ? -0.972  5.732   32.624  1.000 29.377 0 45  LYS A N   1 ? 
ATOM   372  C  CA  . LYS A 1 45  ? -2.193  6.188   31.956  1.000 30.120 0 45  LYS A CA  1 ? 
ATOM   373  C  C   . LYS A 1 45  ? -2.516  5.245   30.790  1.000 25.589 0 45  LYS A C   1 ? 
ATOM   374  O  O   . LYS A 1 45  ? -1.676  4.515   30.261  1.000 24.861 0 45  LYS A O   1 ? 
ATOM   375  C  CB  . LYS A 1 45  ? -2.037  7.629   31.446  1.000 31.739 0 45  LYS A CB  1 ? 
ATOM   376  C  CG  . LYS A 1 45  ? -1.762  8.682   32.516  1.000 39.536 0 45  LYS A CG  1 ? 
ATOM   377  C  CD  . LYS A 1 45  ? -2.940  8.932   33.457  1.000 47.503 0 45  LYS A CD  1 ? 
ATOM   378  C  CE  . LYS A 1 45  ? -4.239  9.213   32.719  1.000 51.828 0 45  LYS A CE  1 ? 
ATOM   379  N  NZ  . LYS A 1 45  ? -5.369  9.493   33.636  1.000 56.618 0 45  LYS A NZ  1 ? 
ATOM   380  N  N   . PRO A 1 46  ? -3.751  5.230   30.262  1.000 27.403 0 46  PRO A N   1 ? 
ATOM   381  C  CA  . PRO A 1 46  ? -4.019  4.404   29.076  1.000 24.338 0 46  PRO A CA  1 ? 
ATOM   382  C  C   . PRO A 1 46  ? -3.152  4.803   27.864  1.000 17.498 0 46  PRO A C   1 ? 
ATOM   383  O  O   . PRO A 1 46  ? -2.868  5.986   27.654  1.000 21.291 0 46  PRO A O   1 ? 
ATOM   384  C  CB  . PRO A 1 46  ? -5.515  4.682   28.795  1.000 29.410 0 46  PRO A CB  1 ? 
ATOM   385  C  CG  . PRO A 1 46  ? -6.065  5.209   30.113  1.000 29.527 0 46  PRO A CG  1 ? 
ATOM   386  C  CD  . PRO A 1 46  ? -4.926  5.975   30.747  1.000 32.317 0 46  PRO A CD  1 ? 
ATOM   387  N  N   . LEU A 1 47  ? -2.722  3.819   27.122  1.000 16.928 0 47  LEU A N   1 ? 
ATOM   388  C  CA  . LEU A 1 47  ? -1.955  4.063   25.891  1.000 18.248 0 47  LEU A CA  1 ? 
ATOM   389  C  C   . LEU A 1 47  ? -2.865  4.404   24.714  1.000 17.833 0 47  LEU A C   1 ? 
ATOM   390  O  O   . LEU A 1 47  ? -3.866  3.735   24.497  1.000 17.492 0 47  LEU A O   1 ? 
ATOM   391  C  CB  . LEU A 1 47  ? -1.126  2.845   25.525  1.000 19.666 0 47  LEU A CB  1 ? 
ATOM   392  C  CG  . LEU A 1 47  ? -0.109  3.033   24.405  1.000 19.043 0 47  LEU A CG  1 ? 
ATOM   393  C  CD1 . LEU A 1 47  ? 1.034   3.965   24.856  1.000 18.936 0 47  LEU A CD1 1 ? 
ATOM   394  C  CD2 . LEU A 1 47  ? 0.472   1.699   23.993  1.000 19.980 0 47  LEU A CD2 1 ? 
ATOM   395  N  N   . SER A 1 48  ? -2.488  5.439   23.955  1.000 12.997 0 48  SER A N   1 ? 
ATOM   396  C  CA  . SER A 1 48  ? -3.259  5.957   22.846  1.000 14.333 0 48  SER A CA  1 ? 
ATOM   397  C  C   . SER A 1 48  ? -2.419  5.888   21.587  1.000 15.101 0 48  SER A C   1 ? 
ATOM   398  O  O   . SER A 1 48  ? -1.462  6.639   21.457  1.000 14.835 0 48  SER A O   1 ? 
ATOM   399  C  CB  . SER A 1 48  ? -3.659  7.395   23.154  1.000 17.454 0 48  SER A CB  1 ? 
ATOM   400  O  OG  . SER A 1 48  ? -4.312  8.010   22.072  1.000 23.631 0 48  SER A OG  1 ? 
ATOM   401  N  N   . VAL A 1 49  ? -2.800  5.008   20.672  1.000 14.827 0 49  VAL A N   1 ? 
ATOM   402  C  CA  . VAL A 1 49  ? -2.160  4.887   19.365  1.000 16.432 0 49  VAL A CA  1 ? 
ATOM   403  C  C   . VAL A 1 49  ? -3.125  5.487   18.353  1.000 17.469 0 49  VAL A C   1 ? 
ATOM   404  O  O   . VAL A 1 49  ? -4.189  4.892   18.087  1.000 20.861 0 49  VAL A O   1 ? 
ATOM   405  C  CB  . VAL A 1 49  ? -1.821  3.419   19.036  1.000 17.701 0 49  VAL A CB  1 ? 
ATOM   406  C  CG1 . VAL A 1 49  ? -1.059  3.294   17.713  1.000 19.791 0 49  VAL A CG1 1 ? 
ATOM   407  C  CG2 . VAL A 1 49  ? -1.050  2.741   20.133  1.000 18.062 0 49  VAL A CG2 1 ? 
ATOM   408  N  N   . SER A 1 50  ? -2.834  6.688   17.854  1.000 15.795 0 50  SER A N   1 ? 
ATOM   409  C  CA  . SER A 1 50  ? -3.755  7.446   17.007  1.000 16.314 0 50  SER A CA  1 ? 
ATOM   410  C  C   . SER A 1 50  ? -3.165  7.535   15.610  1.000 15.207 0 50  SER A C   1 ? 
ATOM   411  O  O   . SER A 1 50  ? -2.458  8.495   15.299  1.000 15.337 0 50  SER A O   1 ? 
ATOM   412  C  CB  . SER A 1 50  ? -4.088  8.816   17.554  1.000 19.156 0 50  SER A CB  1 ? 
ATOM   413  O  OG  . SER A 1 50  ? -4.591  8.664   18.866  1.000 23.282 0 50  SER A OG  1 ? 
ATOM   414  N  N   . TYR A 1 51  ? -3.415  6.506   14.779  1.000 14.993 0 51  TYR A N   1 ? 
ATOM   415  C  CA  . TYR A 1 51  ? -2.828  6.425   13.448  1.000 14.969 0 51  TYR A CA  1 ? 
ATOM   416  C  C   . TYR A 1 51  ? -3.825  6.631   12.297  1.000 17.347 0 51  TYR A C   1 ? 
ATOM   417  O  O   . TYR A 1 51  ? -3.464  6.399   11.128  1.000 16.839 0 51  TYR A O   1 ? 
ATOM   418  C  CB  . TYR A 1 51  ? -2.200  5.039   13.332  1.000 14.197 0 51  TYR A CB  1 ? 
ATOM   419  C  CG  . TYR A 1 51  ? -0.885  4.791   14.078  1.000 11.980 0 51  TYR A CG  1 ? 
ATOM   420  C  CD1 . TYR A 1 51  ? -0.213  5.796   14.764  1.000 11.843 0 51  TYR A CD1 1 ? 
ATOM   421  C  CD2 . TYR A 1 51  ? -0.364  3.507   14.094  1.000 10.769 0 51  TYR A CD2 1 ? 
ATOM   422  C  CE1 . TYR A 1 51  ? 0.977   5.522   15.450  1.000 10.560 0 51  TYR A CE1 1 ? 
ATOM   423  C  CE2 . TYR A 1 51  ? 0.821   3.210   14.737  1.000 10.237 0 51  TYR A CE2 1 ? 
ATOM   424  C  CZ  . TYR A 1 51  ? 1.509   4.225   15.390  1.000 10.470 0 51  TYR A CZ  1 ? 
ATOM   425  O  OH  . TYR A 1 51  ? 2.660   3.827   16.039  1.000 10.344 0 51  TYR A OH  1 ? 
ATOM   426  N  N   . ASP A 1 52  ? -5.036  7.125   12.583  1.000 18.332 0 52  ASP A N   1 ? 
ATOM   427  C  CA  . ASP A 1 52  ? -6.044  7.229   11.535  1.000 22.496 0 52  ASP A CA  1 ? 
ATOM   428  C  C   . ASP A 1 52  ? -5.661  8.193   10.398  1.000 21.615 0 52  ASP A C   1 ? 
ATOM   429  O  O   . ASP A 1 52  ? -6.110  7.999   9.264   1.000 22.154 0 52  ASP A O   1 ? 
ATOM   430  C  CB  . ASP A 1 52  ? -7.405  7.568   12.158  1.000 25.557 0 52  ASP A CB  1 ? 
ATOM   431  C  CG  . ASP A 1 52  ? -7.405  8.826   13.006  1.000 29.985 0 52  ASP A CG  1 ? 
ATOM   432  O  OD1 . ASP A 1 52  ? -6.862  8.787   14.135  1.000 42.622 0 52  ASP A OD1 1 ? 
ATOM   433  O  OD2 . ASP A 1 52  ? -7.961  9.830   12.546  1.000 47.116 0 52  ASP A OD2 1 ? 
ATOM   434  N  N   . GLN A 1 53  ? -4.815  9.194   10.664  1.000 19.301 0 53  GLN A N   1 ? 
ATOM   435  C  CA  . GLN A 1 53  ? -4.448  10.189  9.663   1.000 20.015 0 53  GLN A CA  1 ? 
ATOM   436  C  C   . GLN A 1 53  ? -3.011  9.997   9.183   1.000 16.511 0 53  GLN A C   1 ? 
ATOM   437  O  O   . GLN A 1 53  ? -2.434  10.892  8.587   1.000 16.176 0 53  GLN A O   1 ? 
ATOM   438  C  CB  . GLN A 1 53  ? -4.575  11.579  10.276  1.000 22.984 0 53  GLN A CB  1 ? 
ATOM   439  C  CG  . GLN A 1 53  ? -6.007  11.975  10.585  1.000 27.442 0 53  GLN A CG  1 ? 
ATOM   440  C  CD  . GLN A 1 53  ? -6.778  12.162  9.305   1.000 34.169 0 53  GLN A CD  1 ? 
ATOM   441  O  OE1 . GLN A 1 53  ? -6.268  12.690  8.314   1.000 40.858 0 53  GLN A OE1 1 ? 
ATOM   442  N  NE2 . GLN A 1 53  ? -8.009  11.690  9.309   1.000 38.405 0 53  GLN A NE2 1 ? 
ATOM   443  N  N   . ALA A 1 54  ? -2.451  8.805   9.388   1.000 15.248 0 54  ALA A N   1 ? 
ATOM   444  C  CA  . ALA A 1 54  ? -1.074  8.552   8.997   1.000 14.895 0 54  ALA A CA  1 ? 
ATOM   445  C  C   . ALA A 1 54  ? -0.911  8.765   7.496   1.000 14.751 0 54  ALA A C   1 ? 
ATOM   446  O  O   . ALA A 1 54  ? -1.789  8.380   6.696   1.000 17.357 0 54  ALA A O   1 ? 
ATOM   447  C  CB  . ALA A 1 54  ? -0.702  7.143   9.393   1.000 14.286 0 54  ALA A CB  1 ? 
ATOM   448  N  N   . THR A 1 55  ? 0.189   9.405   7.109   1.000 13.401 0 55  THR A N   1 ? 
ATOM   449  C  CA  . THR A 1 55  ? 0.558   9.621   5.717   1.000 13.286 0 55  THR A CA  1 ? 
ATOM   450  C  C   . THR A 1 55  ? 1.921   8.987   5.422   1.000 13.536 0 55  THR A C   1 ? 
ATOM   451  O  O   . THR A 1 55  ? 2.945   9.591   5.710   1.000 13.843 0 55  THR A O   1 ? 
ATOM   452  C  CB  . THR A 1 55  ? 0.630   11.125  5.400   1.000 18.837 0 55  THR A CB  1 ? 
ATOM   453  O  OG1 . THR A 1 55  ? -0.655  11.666  5.673   1.000 23.312 0 55  THR A OG1 1 ? 
ATOM   454  C  CG2 . THR A 1 55  ? 1.043   11.375  3.974   1.000 21.091 0 55  THR A CG2 1 ? 
ATOM   455  N  N   . SER A 1 56  ? 1.922   7.777   4.846   1.000 11.151 0 56  SER A N   1 ? 
ATOM   456  C  CA  . SER A 1 56  ? 3.159   7.106   4.494   1.000 11.468 0 56  SER A CA  1 ? 
ATOM   457  C  C   . SER A 1 56  ? 3.704   7.744   3.214   1.000 12.058 0 56  SER A C   1 ? 
ATOM   458  O  O   . SER A 1 56  ? 2.929   8.306   2.392   1.000 12.964 0 56  SER A O   1 ? 
ATOM   459  C  CB  . SER A 1 56  ? 2.995   5.625   4.297   1.000 11.565 0 56  SER A CB  1 ? 
ATOM   460  O  OG  . SER A 1 56  ? 2.051   5.351   3.253   1.000 11.564 0 56  SER A OG  1 ? 
ATOM   461  N  N   . LEU A 1 57  ? 5.034   7.708   3.058   1.000 11.717 0 57  LEU A N   1 ? 
ATOM   462  C  CA  . LEU A 1 57  ? 5.683   8.376   1.915   1.000 11.451 0 57  LEU A CA  1 ? 
ATOM   463  C  C   . LEU A 1 57  ? 6.461   7.392   1.050   1.000 12.430 0 57  LEU A C   1 ? 
ATOM   464  O  O   . LEU A 1 57  ? 6.171   7.287   -0.155  1.000 12.782 0 57  LEU A O   1 ? 
ATOM   465  C  CB  . LEU A 1 57  ? 6.611   9.483   2.410   1.000 13.181 0 57  LEU A CB  1 ? 
ATOM   466  C  CG  . LEU A 1 57  ? 5.945   10.609  3.188   1.000 14.664 0 57  LEU A CG  1 ? 
ATOM   467  C  CD1 . LEU A 1 57  ? 7.031   11.508  3.787   1.000 15.087 0 57  LEU A CD1 1 ? 
ATOM   468  C  CD2 . LEU A 1 57  ? 4.952   11.372  2.317   1.000 16.774 0 57  LEU A CD2 1 ? 
ATOM   469  N  N   . ARG A 1 58  ? 7.473   6.731   1.617   1.000 11.420 0 58  ARG A N   1 ? 
ATOM   470  C  CA  . ARG A 1 58  ? 8.426   5.958   0.847   1.000 11.397 0 58  ARG A CA  1 ? 
ATOM   471  C  C   . ARG A 1 58  ? 8.727   4.671   1.610   1.000 10.570 0 58  ARG A C   1 ? 
ATOM   472  O  O   . ARG A 1 58  ? 8.533   4.634   2.835   1.000 11.659 0 58  ARG A O   1 ? 
ATOM   473  C  CB  . ARG A 1 58  ? 9.749   6.706   0.645   1.000 13.842 0 58  ARG A CB  1 ? 
ATOM   474  C  CG  . ARG A 1 58  ? 9.640   8.106   0.079   1.000 17.101 0 58  ARG A CG  1 ? 
ATOM   475  C  CD  . ARG A 1 58  ? 9.465   8.141   -1.409  1.000 20.290 0 58  ARG A CD  1 ? 
ATOM   476  N  NE  . ARG A 1 58  ? 10.592  7.687   -2.207  1.000 20.774 0 58  ARG A NE  1 ? 
ATOM   477  C  CZ  . ARG A 1 58  ? 10.471  7.363   -3.489  1.000 21.170 0 58  ARG A CZ  1 ? 
ATOM   478  N  NH1 . ARG A 1 58  ? 9.358   7.657   -4.113  1.000 20.261 0 58  ARG A NH1 1 ? 
ATOM   479  N  NH2 . ARG A 1 58  ? 11.398  6.673   -4.116  1.000 21.669 0 58  ARG A NH2 1 ? 
ATOM   480  N  N   . ILE A 1 59  ? 9.246   3.678   0.911   1.000 10.018 0 59  ILE A N   1 ? 
ATOM   481  C  CA  . ILE A 1 59  ? 9.846   2.491   1.487   1.000 10.429 0 59  ILE A CA  1 ? 
ATOM   482  C  C   . ILE A 1 59  ? 11.271  2.430   0.978   1.000 12.341 0 59  ILE A C   1 ? 
ATOM   483  O  O   . ILE A 1 59  ? 11.493  2.672   -0.210  1.000 11.402 0 59  ILE A O   1 ? 
ATOM   484  C  CB  . ILE A 1 59  ? 9.006   1.222   1.214   1.000 11.864 0 59  ILE A CB  1 ? 
ATOM   485  C  CG1 . ILE A 1 59  ? 9.539   0.050   2.047   1.000 12.172 0 59  ILE A CG1 1 ? 
ATOM   486  C  CG2 . ILE A 1 59  ? 8.949   0.901   -0.274  1.000 12.362 0 59  ILE A CG2 1 ? 
ATOM   487  C  CD1 . ILE A 1 59  ? 8.647   -1.133  2.050   1.000 12.316 0 59  ILE A CD1 1 ? 
ATOM   488  N  N   . LEU A 1 60  ? 12.238  2.087   1.860   1.000 11.128 0 60  LEU A N   1 ? 
ATOM   489  C  CA  . LEU A 1 60  ? 13.651  2.281   1.580   1.000 12.651 0 60  LEU A CA  1 ? 
ATOM   490  C  C   . LEU A 1 60  ? 14.409  1.117   2.196   1.000 11.514 0 60  LEU A C   1 ? 
ATOM   491  O  O   . LEU A 1 60  ? 14.157  0.765   3.358   1.000 11.999 0 60  LEU A O   1 ? 
ATOM   492  C  CB  . LEU A 1 60  ? 14.129  3.636   2.148   1.000 14.791 0 60  LEU A CB  1 ? 
ATOM   493  C  CG  . LEU A 1 60  ? 15.630  3.917   2.358   1.000 17.972 0 60  LEU A CG  1 ? 
ATOM   494  C  CD1 . LEU A 1 60  ? 16.314  4.197   1.026   1.000 19.537 0 60  LEU A CD1 1 ? 
ATOM   495  C  CD2 . LEU A 1 60  ? 15.903  5.073   3.322   1.000 18.390 0 60  LEU A CD2 1 ? 
ATOM   496  N  N   . ASN A 1 61  ? 15.381  0.599   1.461   1.000 10.250 0 61  ASN A N   1 ? 
ATOM   497  C  CA  . ASN A 1 61  ? 16.406  -0.281  2.010   1.000 10.705 0 61  ASN A CA  1 ? 
ATOM   498  C  C   . ASN A 1 61  ? 17.586  0.576   2.426   1.000 13.965 0 61  ASN A C   1 ? 
ATOM   499  O  O   . ASN A 1 61  ? 18.252  1.113   1.549   1.000 12.664 0 61  ASN A O   1 ? 
ATOM   500  C  CB  . ASN A 1 61  ? 16.820  -1.327  0.967   1.000 10.965 0 61  ASN A CB  1 ? 
ATOM   501  C  CG  . ASN A 1 61  ? 17.893  -2.289  1.440   1.000 12.020 0 61  ASN A CG  1 ? 
ATOM   502  O  OD1 . ASN A 1 61  ? 18.678  -1.960  2.316   1.000 12.722 0 61  ASN A OD1 1 ? 
ATOM   503  N  ND2 . ASN A 1 61  ? 17.964  -3.464  0.858   1.000 12.173 0 61  ASN A ND2 1 ? 
ATOM   504  N  N   . ASN A 1 62  ? 17.850  0.671   3.727   1.000 12.975 0 62  ASN A N   1 ? 
ATOM   505  C  CA  . ASN A 1 62  ? 18.886  1.563   4.251   1.000 14.842 0 62  ASN A CA  1 ? 
ATOM   506  C  C   . ASN A 1 62  ? 20.192  0.807   4.507   1.000 14.749 0 62  ASN A C   1 ? 
ATOM   507  O  O   . ASN A 1 62  ? 21.087  1.392   5.147   1.000 22.481 0 62  ASN A O   1 ? 
ATOM   508  C  CB  . ASN A 1 62  ? 18.381  2.314   5.474   1.000 14.738 0 62  ASN A CB  1 ? 
ATOM   509  C  CG  . ASN A 1 62  ? 17.999  1.405   6.634   1.000 14.420 0 62  ASN A CG  1 ? 
ATOM   510  O  OD1 . ASN A 1 62  ? 18.571  0.315   6.742   1.000 13.028 0 62  ASN A OD1 1 ? 
ATOM   511  N  ND2 . ASN A 1 62  ? 16.966  1.805   7.371   1.000 18.222 0 62  ASN A ND2 1 ? 
ATOM   512  N  N   . GLY A 1 63  ? 20.311  -0.449  4.121   1.000 15.159 0 63  GLY A N   1 ? 
ATOM   513  C  CA  . GLY A 1 63  ? 21.526  -1.226  4.275   1.000 16.165 0 63  GLY A CA  1 ? 
ATOM   514  C  C   . GLY A 1 63  ? 21.584  -1.996  5.599   1.000 13.820 0 63  GLY A C   1 ? 
ATOM   515  O  O   . GLY A 1 63  ? 22.458  -2.840  5.748   1.000 17.384 0 63  GLY A O   1 ? 
ATOM   516  N  N   A HIS A 1 64  ? 20.672  -1.664  6.537   0.600 13.583 0 64  HIS A N   1 ? 
ATOM   517  N  N   B HIS A 1 64  ? 20.618  -1.743  6.476   0.400 13.186 0 64  HIS A N   1 ? 
ATOM   518  C  CA  A HIS A 1 64  ? 20.572  -2.354  7.823   0.600 11.703 0 64  HIS A CA  1 ? 
ATOM   519  C  CA  B HIS A 1 64  ? 20.558  -2.393  7.771   0.400 11.664 0 64  HIS A CA  1 ? 
ATOM   520  C  C   A HIS A 1 64  ? 19.169  -2.868  8.152   0.600 10.279 0 64  HIS A C   1 ? 
ATOM   521  C  C   B HIS A 1 64  ? 19.211  -3.090  7.910   0.400 10.975 0 64  HIS A C   1 ? 
ATOM   522  O  O   A HIS A 1 64  ? 19.001  -3.697  9.037   0.600 9.226  0 64  HIS A O   1 ? 
ATOM   523  O  O   B HIS A 1 64  ? 19.156  -4.257  8.346   0.400 10.212 0 64  HIS A O   1 ? 
ATOM   524  C  CB  A HIS A 1 64  ? 21.060  -1.513  9.008   0.600 12.397 0 64  HIS A CB  1 ? 
ATOM   525  C  CB  B HIS A 1 64  ? 20.845  -1.345  8.844   0.400 11.537 0 64  HIS A CB  1 ? 
ATOM   526  C  CG  A HIS A 1 64  ? 20.613  -0.093  9.153   0.600 12.798 0 64  HIS A CG  1 ? 
ATOM   527  C  CG  B HIS A 1 64  ? 22.154  -0.646  8.611   0.400 11.737 0 64  HIS A CG  1 ? 
ATOM   528  N  ND1 A HIS A 1 64  ? 19.564  0.337   9.935   0.600 15.247 0 64  HIS A ND1 1 ? 
ATOM   529  N  ND1 B HIS A 1 64  ? 23.399  -1.234  8.682   0.400 12.246 0 64  HIS A ND1 1 ? 
ATOM   530  C  CD2 A HIS A 1 64  ? 21.109  1.021   8.569   0.600 12.571 0 64  HIS A CD2 1 ? 
ATOM   531  C  CD2 B HIS A 1 64  ? 22.360  0.625   8.278   0.400 12.052 0 64  HIS A CD2 1 ? 
ATOM   532  C  CE1 A HIS A 1 64  ? 19.447  1.652   9.856   0.600 14.155 0 64  HIS A CE1 1 ? 
ATOM   533  C  CE1 B HIS A 1 64  ? 24.343  -0.321  8.439   0.400 11.508 0 64  HIS A CE1 1 ? 
ATOM   534  N  NE2 A HIS A 1 64  ? 20.360  2.083   9.009   0.600 14.659 0 64  HIS A NE2 1 ? 
ATOM   535  N  NE2 B HIS A 1 64  ? 23.713  0.809   8.160   0.400 12.142 0 64  HIS A NE2 1 ? 
ATOM   536  N  N   . SER A 1 65  ? 18.157  -2.398  7.453   1.000 10.664 0 65  SER A N   1 ? 
ATOM   537  C  CA  . SER A 1 65  ? 16.774  -2.868  7.555   1.000 10.021 0 65  SER A CA  1 ? 
ATOM   538  C  C   . SER A 1 65  ? 16.087  -2.308  6.317   1.000 10.442 0 65  SER A C   1 ? 
ATOM   539  O  O   . SER A 1 65  ? 16.760  -1.728  5.471   1.000 10.150 0 65  SER A O   1 ? 
ATOM   540  C  CB  . SER A 1 65  ? 16.114  -2.413  8.861   1.000 11.463 0 65  SER A CB  1 ? 
ATOM   541  O  OG  . SER A 1 65  ? 14.757  -2.897  8.974   1.000 13.300 0 65  SER A OG  1 ? 
ATOM   542  N  N   . PHE A 1 66  ? 14.774  -2.430  6.240   1.000 8.857  0 66  PHE A N   1 ? 
ATOM   543  C  CA  . PHE A 1 66  ? 13.976  -1.598  5.359   1.000 8.784  0 66  PHE A CA  1 ? 
ATOM   544  C  C   . PHE A 1 66  ? 13.010  -0.811  6.220   1.000 9.692  0 66  PHE A C   1 ? 
ATOM   545  O  O   . PHE A 1 66  ? 12.642  -1.239  7.315   1.000 8.861  0 66  PHE A O   1 ? 
ATOM   546  C  CB  . PHE A 1 66  ? 13.215  -2.375  4.286   1.000 9.205  0 66  PHE A CB  1 ? 
ATOM   547  C  CG  . PHE A 1 66  ? 12.057  -3.198  4.787   1.000 10.290 0 66  PHE A CG  1 ? 
ATOM   548  C  CD1 . PHE A 1 66  ? 10.793  -2.646  4.915   1.000 10.302 0 66  PHE A CD1 1 ? 
ATOM   549  C  CD2 . PHE A 1 66  ? 12.238  -4.528  5.168   1.000 11.104 0 66  PHE A CD2 1 ? 
ATOM   550  C  CE1 . PHE A 1 66  ? 9.739   -3.426  5.366   1.000 11.230 0 66  PHE A CE1 1 ? 
ATOM   551  C  CE2 . PHE A 1 66  ? 11.201  -5.279  5.672   1.000 10.914 0 66  PHE A CE2 1 ? 
ATOM   552  C  CZ  . PHE A 1 66  ? 9.940   -4.735  5.745   1.000 10.440 0 66  PHE A CZ  1 ? 
ATOM   553  N  N   . GLN A 1 67  ? 12.686  0.403   5.779   1.000 9.836  0 67  GLN A N   1 ? 
ATOM   554  C  CA  . GLN A 1 67  ? 11.848  1.280   6.574   1.000 10.360 0 67  GLN A CA  1 ? 
ATOM   555  C  C   . GLN A 1 67  ? 10.756  1.859   5.685   1.000 9.762  0 67  GLN A C   1 ? 
ATOM   556  O  O   . GLN A 1 67  ? 11.012  2.136   4.498   1.000 10.855 0 67  GLN A O   1 ? 
ATOM   557  C  CB  . GLN A 1 67  ? 12.622  2.406   7.281   1.000 14.040 0 67  GLN A CB  1 ? 
ATOM   558  C  CG  . GLN A 1 67  ? 13.243  3.397   6.332   1.000 16.031 0 67  GLN A CG  1 ? 
ATOM   559  C  CD  . GLN A 1 67  ? 14.029  4.422   7.124   1.000 18.695 0 67  GLN A CD  1 ? 
ATOM   560  O  OE1 . GLN A 1 67  ? 15.172  4.182   7.486   1.000 22.266 0 67  GLN A OE1 1 ? 
ATOM   561  N  NE2 . GLN A 1 67  ? 13.408  5.557   7.379   1.000 19.604 0 67  GLN A NE2 1 ? 
ATOM   562  N  N   . VAL A 1 68  ? 9.611   2.096   6.289   1.000 9.584  0 68  VAL A N   1 ? 
ATOM   563  C  CA  . VAL A 1 68  ? 8.536   2.895   5.723   1.000 8.680  0 68  VAL A CA  1 ? 
ATOM   564  C  C   . VAL A 1 68  ? 8.537   4.236   6.446   1.000 10.071 0 68  VAL A C   1 ? 
ATOM   565  O  O   . VAL A 1 68  ? 8.431   4.287   7.669   1.000 8.733  0 68  VAL A O   1 ? 
ATOM   566  C  CB  . VAL A 1 68  ? 7.188   2.157   5.791   1.000 9.828  0 68  VAL A CB  1 ? 
ATOM   567  C  CG1 . VAL A 1 68  ? 6.044   3.077   5.358   1.000 10.845 0 68  VAL A CG1 1 ? 
ATOM   568  C  CG2 . VAL A 1 68  ? 7.219   0.852   5.012   1.000 9.781  0 68  VAL A CG2 1 ? 
ATOM   569  N  N   A THR A 1 69  ? 8.595   5.333   5.688   0.700 9.070  0 69  THR A N   1 ? 
ATOM   570  N  N   B THR A 1 69  ? 8.657   5.344   5.696   0.300 10.215 0 69  THR A N   1 ? 
ATOM   571  C  CA  A THR A 1 69  ? 8.659   6.670   6.240   0.700 10.117 0 69  THR A CA  1 ? 
ATOM   572  C  CA  B THR A 1 69  ? 8.710   6.679   6.279   0.300 11.504 0 69  THR A CA  1 ? 
ATOM   573  C  C   A THR A 1 69  ? 7.284   7.325   6.203   0.700 11.069 0 69  THR A C   1 ? 
ATOM   574  C  C   B THR A 1 69  ? 7.353   7.371   6.160   0.300 11.394 0 69  THR A C   1 ? 
ATOM   575  O  O   A THR A 1 69  ? 6.441   6.985   5.359   0.700 14.735 0 69  THR A O   1 ? 
ATOM   576  O  O   B THR A 1 69  ? 6.621   7.145   5.198   0.300 12.578 0 69  THR A O   1 ? 
ATOM   577  C  CB  A THR A 1 69  ? 9.671   7.484   5.452   0.700 9.895  0 69  THR A CB  1 ? 
ATOM   578  C  CB  B THR A 1 69  ? 9.787   7.546   5.619   0.300 12.746 0 69  THR A CB  1 ? 
ATOM   579  O  OG1 A THR A 1 69  ? 9.133   7.566   4.118   0.700 12.910 0 69  THR A OG1 1 ? 
ATOM   580  O  OG1 B THR A 1 69  ? 9.743   8.853   6.190   0.300 14.794 0 69  THR A OG1 1 ? 
ATOM   581  C  CG2 A THR A 1 69  ? 11.024  6.800   5.552   0.700 8.786  0 69  THR A CG2 1 ? 
ATOM   582  C  CG2 B THR A 1 69  ? 9.611   7.659   4.122   0.300 13.422 0 69  THR A CG2 1 ? 
ATOM   583  N  N   . PHE A 1 70  ? 7.059   8.244   7.125   1.000 10.646 0 70  PHE A N   1 ? 
ATOM   584  C  CA  . PHE A 1 70  ? 5.805   8.961   7.264   1.000 10.791 0 70  PHE A CA  1 ? 
ATOM   585  C  C   . PHE A 1 70  ? 6.074   10.465  7.299   1.000 12.702 0 70  PHE A C   1 ? 
ATOM   586  O  O   . PHE A 1 70  ? 7.104   10.896  7.743   1.000 13.652 0 70  PHE A O   1 ? 
ATOM   587  C  CB  . PHE A 1 70  ? 5.090   8.580   8.549   1.000 10.147 0 70  PHE A CB  1 ? 
ATOM   588  C  CG  . PHE A 1 70  ? 4.535   7.185   8.467   1.000 10.116 0 70  PHE A CG  1 ? 
ATOM   589  C  CD1 . PHE A 1 70  ? 5.350   6.081   8.672   1.000 11.079 0 70  PHE A CD1 1 ? 
ATOM   590  C  CD2 . PHE A 1 70  ? 3.207   6.952   8.144   1.000 10.144 0 70  PHE A CD2 1 ? 
ATOM   591  C  CE1 . PHE A 1 70  ? 4.874   4.798   8.547   1.000 10.489 0 70  PHE A CE1 1 ? 
ATOM   592  C  CE2 . PHE A 1 70  ? 2.740   5.655   8.003   1.000 10.528 0 70  PHE A CE2 1 ? 
ATOM   593  C  CZ  . PHE A 1 70  ? 3.575   4.599   8.193   1.000 11.404 0 70  PHE A CZ  1 ? 
ATOM   594  N  N   . ASP A 1 71  ? 5.107   11.247  6.822   1.000 12.918 0 71  ASP A N   1 ? 
ATOM   595  C  CA  . ASP A 1 71  ? 5.090   12.691  6.972   1.000 13.803 0 71  ASP A CA  1 ? 
ATOM   596  C  C   . ASP A 1 71  ? 4.872   13.050  8.438   1.000 14.501 0 71  ASP A C   1 ? 
ATOM   597  O  O   . ASP A 1 71  ? 3.846   12.731  9.024   1.000 16.303 0 71  ASP A O   1 ? 
ATOM   598  C  CB  . ASP A 1 71  ? 3.968   13.253  6.089   1.000 15.875 0 71  ASP A CB  1 ? 
ATOM   599  C  CG  . ASP A 1 71  ? 3.803   14.758  6.215   1.000 18.086 0 71  ASP A CG  1 ? 
ATOM   600  O  OD1 . ASP A 1 71  ? 4.606   15.366  6.878   1.000 20.657 0 71  ASP A OD1 1 ? 
ATOM   601  O  OD2 . ASP A 1 71  ? 2.826   15.272  5.656   1.000 24.213 0 71  ASP A OD2 1 ? 
ATOM   602  N  N   . ASP A 1 72  ? 5.883   13.668  9.070   1.000 15.687 0 72  ASP A N   1 ? 
ATOM   603  C  CA  . ASP A 1 72  ? 5.827   14.017  10.474  1.000 16.185 0 72  ASP A CA  1 ? 
ATOM   604  C  C   . ASP A 1 72  ? 5.862   15.544  10.624  1.000 20.242 0 72  ASP A C   1 ? 
ATOM   605  O  O   . ASP A 1 72  ? 6.336   16.017  11.645  1.000 21.971 0 72  ASP A O   1 ? 
ATOM   606  C  CB  . ASP A 1 72  ? 6.996   13.372  11.245  1.000 15.470 0 72  ASP A CB  1 ? 
ATOM   607  C  CG  . ASP A 1 72  ? 8.369   13.797  10.787  1.000 18.731 0 72  ASP A CG  1 ? 
ATOM   608  O  OD1 . ASP A 1 72  ? 8.480   14.380  9.677   1.000 20.090 0 72  ASP A OD1 1 ? 
ATOM   609  O  OD2 . ASP A 1 72  ? 9.359   13.615  11.524  1.000 18.745 0 72  ASP A OD2 1 ? 
ATOM   610  N  N   . SER A 1 73  ? 5.391   16.269  9.600   1.000 20.536 0 73  SER A N   1 ? 
ATOM   611  C  CA  . SER A 1 73  ? 5.345   17.741  9.633   1.000 24.317 0 73  SER A CA  1 ? 
ATOM   612  C  C   . SER A 1 73  ? 4.140   18.273  10.430  1.000 26.232 0 73  SER A C   1 ? 
ATOM   613  O  O   . SER A 1 73  ? 4.036   19.486  10.682  1.000 29.257 0 73  SER A O   1 ? 
ATOM   614  C  CB  . SER A 1 73  ? 5.368   18.294  8.223   1.000 26.442 0 73  SER A CB  1 ? 
ATOM   615  O  OG  . SER A 1 73  ? 4.164   17.964  7.541   1.000 26.505 0 73  SER A OG  1 ? 
ATOM   616  N  N   . GLN A 1 74  ? 3.196   17.407  10.822  1.000 23.687 0 74  GLN A N   1 ? 
ATOM   617  C  CA  . GLN A 1 74  ? 2.063   17.752  11.686  1.000 22.451 0 74  GLN A CA  1 ? 
ATOM   618  C  C   . GLN A 1 74  ? 1.664   16.545  12.538  1.000 23.321 0 74  GLN A C   1 ? 
ATOM   619  O  O   . GLN A 1 74  ? 2.188   15.470  12.284  1.000 23.345 0 74  GLN A O   1 ? 
ATOM   620  C  CB  . GLN A 1 74  ? 0.798   18.115  10.895  1.000 28.409 0 74  GLN A CB  1 ? 
ATOM   621  C  CG  . GLN A 1 74  ? 0.934   19.301  9.957   1.000 31.452 0 74  GLN A CG  1 ? 
ATOM   622  C  CD  . GLN A 1 74  ? -0.382  19.522  9.251   1.000 33.212 0 74  GLN A CD  1 ? 
ATOM   623  O  OE1 . GLN A 1 74  ? -1.339  20.025  9.835   1.000 34.571 0 74  GLN A OE1 1 ? 
ATOM   624  N  NE2 . GLN A 1 74  ? -0.451  19.076  8.009   1.000 34.636 0 74  GLN A NE2 1 ? 
ATOM   625  N  N   . ASP A 1 75  ? 0.718   16.690  13.485  1.000 25.524 0 75  ASP A N   1 ? 
ATOM   626  C  CA  . ASP A 1 75  ? 0.299   15.601  14.362  1.000 27.495 0 75  ASP A CA  1 ? 
ATOM   627  C  C   . ASP A 1 75  ? -0.670  14.664  13.612  1.000 27.335 0 75  ASP A C   1 ? 
ATOM   628  O  O   . ASP A 1 75  ? -1.866  14.633  13.870  1.000 36.039 0 75  ASP A O   1 ? 
ATOM   629  C  CB  . ASP A 1 75  ? -0.300  16.098  15.690  1.000 27.049 0 75  ASP A CB  1 ? 
ATOM   630  C  CG  . ASP A 1 75  ? 0.681   16.567  16.769  1.000 27.006 0 75  ASP A CG  1 ? 
ATOM   631  O  OD1 . ASP A 1 75  ? 1.888   16.400  16.595  1.000 27.742 0 75  ASP A OD1 1 ? 
ATOM   632  O  OD2 . ASP A 1 75  ? 0.222   17.105  17.787  1.000 32.160 0 75  ASP A OD2 1 ? 
ATOM   633  N  N   . LYS A 1 76  ? -0.150  13.825  12.725  1.000 22.875 0 76  LYS A N   1 ? 
ATOM   634  C  CA  . LYS A 1 76  ? -0.984  12.979  11.873  1.000 22.797 0 76  LYS A CA  1 ? 
ATOM   635  C  C   . LYS A 1 76  ? -1.119  11.553  12.417  1.000 20.703 0 76  LYS A C   1 ? 
ATOM   636  O  O   . LYS A 1 76  ? -2.155  10.895  12.329  1.000 27.206 0 76  LYS A O   1 ? 
ATOM   637  C  CB  . LYS A 1 76  ? -0.338  12.906  10.491  1.000 23.354 0 76  LYS A CB  1 ? 
ATOM   638  C  CG  . LYS A 1 76  ? -0.500  14.176  9.665   1.000 26.677 0 76  LYS A CG  1 ? 
ATOM   639  C  CD  . LYS A 1 76  ? 0.015   14.030  8.264   1.000 29.892 0 76  LYS A CD  1 ? 
ATOM   640  C  CE  . LYS A 1 76  ? -0.560  15.070  7.326   1.000 34.594 0 76  LYS A CE  1 ? 
ATOM   641  N  NZ  . LYS A 1 76  ? -0.319  14.673  5.919   1.000 37.366 0 76  LYS A NZ  1 ? 
ATOM   642  N  N   . ALA A 1 77  ? -0.004  11.006  12.862  1.000 19.565 0 77  ALA A N   1 ? 
ATOM   643  C  CA  . ALA A 1 77  ? 0.019   9.678   13.457  1.000 16.266 0 77  ALA A CA  1 ? 
ATOM   644  C  C   . ALA A 1 77  ? 0.848   9.813   14.727  1.000 15.336 0 77  ALA A C   1 ? 
ATOM   645  O  O   . ALA A 1 77  ? 2.045   10.123  14.660  1.000 16.077 0 77  ALA A O   1 ? 
ATOM   646  C  CB  . ALA A 1 77  ? 0.630   8.704   12.481  1.000 17.633 0 77  ALA A CB  1 ? 
ATOM   647  N  N   . VAL A 1 78  ? 0.203   9.681   15.884  1.000 14.293 0 78  VAL A N   1 ? 
ATOM   648  C  CA  . VAL A 1 78  ? 0.847   9.991   17.152  1.000 14.671 0 78  VAL A CA  1 ? 
ATOM   649  C  C   . VAL A 1 78  ? 0.602   8.884   18.165  1.000 13.532 0 78  VAL A C   1 ? 
ATOM   650  O  O   . VAL A 1 78  ? -0.393  8.143   18.100  1.000 15.673 0 78  VAL A O   1 ? 
ATOM   651  C  CB  . VAL A 1 78  ? 0.386   11.329  17.743  1.000 17.017 0 78  VAL A CB  1 ? 
ATOM   652  C  CG1 . VAL A 1 78  ? 0.713   12.463  16.788  1.000 16.704 0 78  VAL A CG1 1 ? 
ATOM   653  C  CG2 . VAL A 1 78  ? -1.090  11.299  18.071  1.000 19.187 0 78  VAL A CG2 1 ? 
ATOM   654  N  N   . LEU A 1 79  ? 1.542   8.806   19.105  1.000 12.038 0 79  LEU A N   1 ? 
ATOM   655  C  CA  . LEU A 1 79  ? 1.463   7.980   20.285  1.000 12.762 0 79  LEU A CA  1 ? 
ATOM   656  C  C   . LEU A 1 79  ? 1.443   8.927   21.464  1.000 14.188 0 79  LEU A C   1 ? 
ATOM   657  O  O   . LEU A 1 79  ? 2.258   9.838   21.523  1.000 13.465 0 79  LEU A O   1 ? 
ATOM   658  C  CB  . LEU A 1 79  ? 2.729   7.118   20.251  1.000 15.029 0 79  LEU A CB  1 ? 
ATOM   659  C  CG  . LEU A 1 79  ? 2.833   5.986   21.235  1.000 17.198 0 79  LEU A CG  1 ? 
ATOM   660  C  CD1 . LEU A 1 79  ? 1.707   4.994   21.041  1.000 19.075 0 79  LEU A CD1 1 ? 
ATOM   661  C  CD2 . LEU A 1 79  ? 4.194   5.338   21.051  1.000 14.971 0 79  LEU A CD2 1 ? 
ATOM   662  N  N   . LYS A 1 80  ? 0.526   8.671   22.408  1.000 13.068 0 80  LYS A N   1 ? 
ATOM   663  C  CA  . LYS A 1 80  ? 0.362   9.396   23.662  1.000 14.913 0 80  LYS A CA  1 ? 
ATOM   664  C  C   . LYS A 1 80  ? -0.019  8.426   24.775  1.000 14.967 0 80  LYS A C   1 ? 
ATOM   665  O  O   . LYS A 1 80  ? -0.332  7.277   24.515  1.000 13.976 0 80  LYS A O   1 ? 
ATOM   666  C  CB  . LYS A 1 80  ? -0.769  10.423  23.567  1.000 20.133 0 80  LYS A CB  1 ? 
ATOM   667  C  CG  . LYS A 1 80  ? -0.595  11.498  22.503  1.000 23.102 0 80  LYS A CG  1 ? 
ATOM   668  C  CD  . LYS A 1 80  ? -1.879  12.270  22.205  1.000 28.473 0 80  LYS A CD  1 ? 
ATOM   669  C  CE  . LYS A 1 80  ? -2.500  12.868  23.450  1.000 35.539 0 80  LYS A CE  1 ? 
ATOM   670  N  NZ  . LYS A 1 80  ? -1.567  13.826  24.093  1.000 41.644 0 80  LYS A NZ  1 ? 
ATOM   671  N  N   . GLY A 1 81  ? 0.026   8.880   26.019  1.000 16.388 0 81  GLY A N   1 ? 
ATOM   672  C  CA  . GLY A 1 81  ? -0.451  8.097   27.139  1.000 16.428 0 81  GLY A CA  1 ? 
ATOM   673  C  C   . GLY A 1 81  ? 0.587   7.062   27.555  1.000 15.717 0 81  GLY A C   1 ? 
ATOM   674  O  O   . GLY A 1 81  ? 1.779   7.158   27.243  1.000 14.623 0 81  GLY A O   1 ? 
ATOM   675  N  N   . GLY A 1 82  ? 0.121   6.075   28.308  1.000 16.905 0 82  GLY A N   1 ? 
ATOM   676  C  CA  . GLY A 1 82  ? 1.024   5.093   28.876  1.000 17.109 0 82  GLY A CA  1 ? 
ATOM   677  C  C   . GLY A 1 82  ? 2.052   5.780   29.752  1.000 18.411 0 82  GLY A C   1 ? 
ATOM   678  O  O   . GLY A 1 82  ? 1.724   6.608   30.610  1.000 17.538 0 82  GLY A O   1 ? 
ATOM   679  N  N   . PRO A 1 83  ? 3.360   5.492   29.546  1.000 15.554 0 83  PRO A N   1 ? 
ATOM   680  C  CA  . PRO A 1 83  ? 4.408   6.139   30.301  1.000 16.066 0 83  PRO A CA  1 ? 
ATOM   681  C  C   . PRO A 1 83  ? 4.799   7.513   29.751  1.000 15.599 0 83  PRO A C   1 ? 
ATOM   682  O  O   . PRO A 1 83  ? 5.615   8.191   30.361  1.000 19.530 0 83  PRO A O   1 ? 
ATOM   683  C  CB  . PRO A 1 83  ? 5.585   5.163   30.096  1.000 15.764 0 83  PRO A CB  1 ? 
ATOM   684  C  CG  . PRO A 1 83  ? 5.366   4.650   28.683  1.000 14.899 0 83  PRO A CG  1 ? 
ATOM   685  C  CD  . PRO A 1 83  ? 3.866   4.575   28.499  1.000 14.898 0 83  PRO A CD  1 ? 
ATOM   686  N  N   . LEU A 1 84  ? 4.184   7.945   28.645  1.000 14.573 0 84  LEU A N   1 ? 
ATOM   687  C  CA  . LEU A 1 84  ? 4.646   9.119   27.925  1.000 13.758 0 84  LEU A CA  1 ? 
ATOM   688  C  C   . LEU A 1 84  ? 3.992   10.399  28.458  1.000 15.504 0 84  LEU A C   1 ? 
ATOM   689  O  O   . LEU A 1 84  ? 2.811   10.421  28.788  1.000 16.744 0 84  LEU A O   1 ? 
ATOM   690  C  CB  . LEU A 1 84  ? 4.291   8.956   26.451  1.000 13.533 0 84  LEU A CB  1 ? 
ATOM   691  C  CG  . LEU A 1 84  ? 4.853   7.712   25.750  1.000 12.274 0 84  LEU A CG  1 ? 
ATOM   692  C  CD1 . LEU A 1 84  ? 4.338   7.626   24.352  1.000 12.554 0 84  LEU A CD1 1 ? 
ATOM   693  C  CD2 . LEU A 1 84  ? 6.377   7.753   25.776  1.000 11.978 0 84  LEU A CD2 1 ? 
ATOM   694  N  N   . ASP A 1 85  ? 4.795   11.439  28.498  1.000 15.879 0 85  ASP A N   1 ? 
ATOM   695  C  CA  . ASP A 1 85  ? 4.309   12.785  28.755  1.000 18.632 0 85  ASP A CA  1 ? 
ATOM   696  C  C   . ASP A 1 85  ? 4.311   13.502  27.415  1.000 20.341 0 85  ASP A C   1 ? 
ATOM   697  O  O   . ASP A 1 85  ? 5.348   13.554  26.768  1.000 25.070 0 85  ASP A O   1 ? 
ATOM   698  C  CB  . ASP A 1 85  ? 5.247   13.500  29.729  1.000 24.322 0 85  ASP A CB  1 ? 
ATOM   699  C  CG  . ASP A 1 85  ? 5.089   13.067  31.180  1.000 34.859 0 85  ASP A CG  1 ? 
ATOM   700  O  OD1 . ASP A 1 85  ? 4.102   12.336  31.486  1.000 41.281 0 85  ASP A OD1 1 ? 
ATOM   701  O  OD2 . ASP A 1 85  ? 5.941   13.485  32.026  1.000 40.930 0 85  ASP A OD2 1 ? 
ATOM   702  N  N   . GLY A 1 86  ? 3.161   13.979  26.967  1.000 19.125 0 86  GLY A N   1 ? 
ATOM   703  C  CA  . GLY A 1 86  ? 3.085   14.752  25.748  1.000 18.905 0 86  GLY A CA  1 ? 
ATOM   704  C  C   . GLY A 1 86  ? 2.853   13.845  24.532  1.000 18.465 0 86  GLY A C   1 ? 
ATOM   705  O  O   . GLY A 1 86  ? 2.316   12.732  24.678  1.000 20.844 0 86  GLY A O   1 ? 
ATOM   706  N  N   . THR A 1 87  ? 3.234   14.350  23.355  1.000 15.312 0 87  THR A N   1 ? 
ATOM   707  C  CA  . THR A 1 87  ? 2.800   13.776  22.097  1.000 14.929 0 87  THR A CA  1 ? 
ATOM   708  C  C   . THR A 1 87  ? 4.049   13.374  21.312  1.000 13.497 0 87  THR A C   1 ? 
ATOM   709  O  O   . THR A 1 87  ? 4.995   14.144  21.192  1.000 14.132 0 87  THR A O   1 ? 
ATOM   710  C  CB  . THR A 1 87  ? 2.035   14.806  21.259  1.000 18.549 0 87  THR A CB  1 ? 
ATOM   711  O  OG1 . THR A 1 87  ? 0.881   15.125  22.037  1.000 21.982 0 87  THR A OG1 1 ? 
ATOM   712  C  CG2 . THR A 1 87  ? 1.631   14.304  19.891  1.000 18.174 0 87  THR A CG2 1 ? 
ATOM   713  N  N   . TYR A 1 88  ? 4.032   12.134  20.798  1.000 10.980 0 88  TYR A N   1 ? 
ATOM   714  C  CA  . TYR A 1 88  ? 5.129   11.622  20.016  1.000 11.515 0 88  TYR A CA  1 ? 
ATOM   715  C  C   . TYR A 1 88  ? 4.662   11.260  18.612  1.000 12.573 0 88  TYR A C   1 ? 
ATOM   716  O  O   . TYR A 1 88  ? 3.703   10.494  18.453  1.000 13.837 0 88  TYR A O   1 ? 
ATOM   717  C  CB  . TYR A 1 88  ? 5.685   10.383  20.693  1.000 10.717 0 88  TYR A CB  1 ? 
ATOM   718  C  CG  . TYR A 1 88  ? 6.492   10.596  21.949  1.000 9.880  0 88  TYR A CG  1 ? 
ATOM   719  C  CD1 . TYR A 1 88  ? 5.892   11.059  23.120  1.000 9.761  0 88  TYR A CD1 1 ? 
ATOM   720  C  CD2 . TYR A 1 88  ? 7.858   10.359  22.017  1.000 9.111  0 88  TYR A CD2 1 ? 
ATOM   721  C  CE1 . TYR A 1 88  ? 6.614   11.253  24.289  1.000 10.383 0 88  TYR A CE1 1 ? 
ATOM   722  C  CE2 . TYR A 1 88  ? 8.584   10.531  23.180  1.000 10.256 0 88  TYR A CE2 1 ? 
ATOM   723  C  CZ  . TYR A 1 88  ? 7.967   10.955  24.349  1.000 9.955  0 88  TYR A CZ  1 ? 
ATOM   724  O  OH  . TYR A 1 88  ? 8.740   11.079  25.470  1.000 11.572 0 88  TYR A OH  1 ? 
ATOM   725  N  N   . ARG A 1 89  ? 5.335   11.816  17.598  1.000 10.310 0 89  ARG A N   1 ? 
ATOM   726  C  CA  . ARG A 1 89  ? 4.926   11.659  16.221  1.000 10.662 0 89  ARG A CA  1 ? 
ATOM   727  C  C   . ARG A 1 89  ? 5.644   10.505  15.528  1.000 9.782  0 89  ARG A C   1 ? 
ATOM   728  O  O   . ARG A 1 89  ? 6.870   10.413  15.605  1.000 8.980  0 89  ARG A O   1 ? 
ATOM   729  C  CB  . ARG A 1 89  ? 5.290   12.903  15.426  1.000 13.271 0 89  ARG A CB  1 ? 
ATOM   730  C  CG  . ARG A 1 89  ? 4.333   14.054  15.597  1.000 18.315 0 89  ARG A CG  1 ? 
ATOM   731  C  CD  . ARG A 1 89  ? 4.719   15.138  14.594  1.000 17.671 0 89  ARG A CD  1 ? 
ATOM   732  N  NE  . ARG A 1 89  ? 3.902   16.256  14.975  1.000 22.299 0 89  ARG A NE  1 ? 
ATOM   733  C  CZ  . ARG A 1 89  ? 4.229   17.517  14.745  1.000 22.078 0 89  ARG A CZ  1 ? 
ATOM   734  N  NH1 . ARG A 1 89  ? 5.198   17.779  13.893  1.000 20.560 0 89  ARG A NH1 1 ? 
ATOM   735  N  NH2 . ARG A 1 89  ? 3.516   18.479  15.313  1.000 25.923 0 89  ARG A NH2 1 ? 
ATOM   736  N  N   . LEU A 1 90  ? 4.880   9.695   14.786  1.000 9.229  0 90  LEU A N   1 ? 
ATOM   737  C  CA  . LEU A 1 90  ? 5.433   8.591   14.010  1.000 10.144 0 90  LEU A CA  1 ? 
ATOM   738  C  C   . LEU A 1 90  ? 6.251   9.150   12.844  1.000 9.706  0 90  LEU A C   1 ? 
ATOM   739  O  O   . LEU A 1 90  ? 5.725   9.927   12.041  1.000 11.075 0 90  LEU A O   1 ? 
ATOM   740  C  CB  . LEU A 1 90  ? 4.305   7.686   13.504  1.000 10.450 0 90  LEU A CB  1 ? 
ATOM   741  C  CG  . LEU A 1 90  ? 4.723   6.510   12.623  1.000 10.448 0 90  LEU A CG  1 ? 
ATOM   742  C  CD1 . LEU A 1 90  ? 5.522   5.506   13.450  1.000 10.216 0 90  LEU A CD1 1 ? 
ATOM   743  C  CD2 . LEU A 1 90  ? 3.510   5.859   11.984  1.000 10.213 0 90  LEU A CD2 1 ? 
ATOM   744  N  N   A LEU A 1 91  ? 7.510   8.719   12.740  0.700 10.824 0 91  LEU A N   1 ? 
ATOM   745  N  N   B LEU A 1 91  ? 7.518   8.744   12.688  0.300 8.974  0 91  LEU A N   1 ? 
ATOM   746  C  CA  A LEU A 1 91  ? 8.427   9.065   11.660  0.700 10.992 0 91  LEU A CA  1 ? 
ATOM   747  C  CA  B LEU A 1 91  ? 8.238   9.122   11.474  0.300 8.112  0 91  LEU A CA  1 ? 
ATOM   748  C  C   A LEU A 1 91  ? 8.598   7.930   10.662  0.700 10.072 0 91  LEU A C   1 ? 
ATOM   749  C  C   B LEU A 1 91  ? 8.613   7.917   10.616  0.300 8.416  0 91  LEU A C   1 ? 
ATOM   750  O  O   A LEU A 1 91  ? 8.720   8.134   9.463   0.700 9.344  0 91  LEU A O   1 ? 
ATOM   751  O  O   B LEU A 1 91  ? 8.749   8.083   9.407   0.300 8.245  0 91  LEU A O   1 ? 
ATOM   752  C  CB  A LEU A 1 91  ? 9.778   9.361   12.325  0.700 13.733 0 91  LEU A CB  1 ? 
ATOM   753  C  CB  B LEU A 1 91  ? 9.451   10.006  11.796  0.300 7.504  0 91  LEU A CB  1 ? 
ATOM   754  C  CG  A LEU A 1 91  ? 10.914  9.693   11.376  0.700 15.281 0 91  LEU A CG  1 ? 
ATOM   755  C  CG  B LEU A 1 91  ? 10.820  9.343   11.911  0.300 7.024  0 91  LEU A CG  1 ? 
ATOM   756  C  CD1 A LEU A 1 91  ? 10.681  11.059  10.699  0.700 18.958 0 91  LEU A CD1 1 ? 
ATOM   757  C  CD1 B LEU A 1 91  ? 11.927  10.398  11.775  0.300 7.040  0 91  LEU A CD1 1 ? 
ATOM   758  C  CD2 A LEU A 1 91  ? 12.238  9.676   12.120  0.700 17.022 0 91  LEU A CD2 1 ? 
ATOM   759  C  CD2 B LEU A 1 91  ? 10.980  8.588   13.232  0.300 7.189  0 91  LEU A CD2 1 ? 
ATOM   760  N  N   . GLN A 1 92  ? 8.768   6.708   11.202  1.000 8.623  0 92  GLN A N   1 ? 
ATOM   761  C  CA  . GLN A 1 92  ? 9.081   5.560   10.385  1.000 7.715  0 92  GLN A CA  1 ? 
ATOM   762  C  C   . GLN A 1 92  ? 8.810   4.275   11.144  1.000 7.594  0 92  GLN A C   1 ? 
ATOM   763  O  O   . GLN A 1 92  ? 8.777   4.306   12.362  1.000 8.018  0 92  GLN A O   1 ? 
ATOM   764  C  CB  . GLN A 1 92  ? 10.531  5.566   9.889   1.000 8.349  0 92  GLN A CB  1 ? 
ATOM   765  C  CG  . GLN A 1 92  ? 11.572  5.595   11.013  1.000 8.854  0 92  GLN A CG  1 ? 
ATOM   766  C  CD  . GLN A 1 92  ? 12.334  4.303   11.099  1.000 11.595 0 92  GLN A CD  1 ? 
ATOM   767  O  OE1 . GLN A 1 92  ? 11.758  3.270   11.303  1.000 9.297  0 92  GLN A OE1 1 ? 
ATOM   768  N  NE2 . GLN A 1 92  ? 13.641  4.345   10.980  1.000 17.255 0 92  GLN A NE2 1 ? 
ATOM   769  N  N   . PHE A 1 93  ? 8.659   3.192   10.385  1.000 6.623  0 93  PHE A N   1 ? 
ATOM   770  C  CA  . PHE A 1 93  ? 8.746   1.855   10.967  1.000 6.810  0 93  PHE A CA  1 ? 
ATOM   771  C  C   . PHE A 1 93  ? 9.722   1.012   10.199  1.000 6.472  0 93  PHE A C   1 ? 
ATOM   772  O  O   . PHE A 1 93  ? 9.965   1.203   9.020   1.000 7.752  0 93  PHE A O   1 ? 
ATOM   773  C  CB  . PHE A 1 93  ? 7.403   1.166   11.191  1.000 6.653  0 93  PHE A CB  1 ? 
ATOM   774  C  CG  . PHE A 1 93  ? 6.645   0.722   9.962   1.000 7.612  0 93  PHE A CG  1 ? 
ATOM   775  C  CD1 . PHE A 1 93  ? 7.042   -0.387  9.245   1.000 7.459  0 93  PHE A CD1 1 ? 
ATOM   776  C  CD2 . PHE A 1 93  ? 5.479   1.368   9.547   1.000 7.769  0 93  PHE A CD2 1 ? 
ATOM   777  C  CE1 . PHE A 1 93  ? 6.337   -0.810  8.129   1.000 7.684  0 93  PHE A CE1 1 ? 
ATOM   778  C  CE2 . PHE A 1 93  ? 4.782   0.921   8.439   1.000 7.698  0 93  PHE A CE2 1 ? 
ATOM   779  C  CZ  . PHE A 1 93  ? 5.227   -0.136  7.729   1.000 7.804  0 93  PHE A CZ  1 ? 
ATOM   780  N  N   . HIS A 1 94  ? 10.281  0.035   10.899  1.000 6.042  0 94  HIS A N   1 ? 
ATOM   781  C  CA  . HIS A 1 94  ? 11.192  -0.928  10.310  1.000 6.364  0 94  HIS A CA  1 ? 
ATOM   782  C  C   . HIS A 1 94  ? 11.132  -2.252  11.046  1.000 6.391  0 94  HIS A C   1 ? 
ATOM   783  O  O   . HIS A 1 94  ? 10.436  -2.346  12.057  1.000 6.932  0 94  HIS A O   1 ? 
ATOM   784  C  CB  . HIS A 1 94  ? 12.613  -0.362  10.332  1.000 6.897  0 94  HIS A CB  1 ? 
ATOM   785  C  CG  . HIS A 1 94  ? 13.167  -0.155  11.682  1.000 7.233  0 94  HIS A CG  1 ? 
ATOM   786  N  ND1 . HIS A 1 94  ? 12.988  1.010   12.370  1.000 7.291  0 94  HIS A ND1 1 ? 
ATOM   787  C  CD2 . HIS A 1 94  ? 13.812  -0.986  12.485  1.000 8.085  0 94  HIS A CD2 1 ? 
ATOM   788  C  CE1 . HIS A 1 94  ? 13.550  0.875   13.582  1.000 7.366  0 94  HIS A CE1 1 ? 
ATOM   789  N  NE2 . HIS A 1 94  ? 14.039  -0.347  13.684  1.000 8.038  0 94  HIS A NE2 1 ? 
ATOM   790  N  N   . PHE A 1 95  ? 11.863  -3.235  10.536  1.000 6.888  0 95  PHE A N   1 ? 
ATOM   791  C  CA  . PHE A 1 95  ? 11.880  -4.536  11.185  1.000 6.584  0 95  PHE A CA  1 ? 
ATOM   792  C  C   . PHE A 1 95  ? 13.304  -5.041  11.452  1.000 6.802  0 95  PHE A C   1 ? 
ATOM   793  O  O   . PHE A 1 95  ? 14.273  -4.638  10.800  1.000 7.535  0 95  PHE A O   1 ? 
ATOM   794  C  CB  . PHE A 1 95  ? 11.149  -5.580  10.316  1.000 6.747  0 95  PHE A CB  1 ? 
ATOM   795  C  CG  . PHE A 1 95  ? 9.702   -5.277  9.999   1.000 7.134  0 95  PHE A CG  1 ? 
ATOM   796  C  CD1 . PHE A 1 95  ? 9.347   -4.393  8.985   1.000 7.648  0 95  PHE A CD1 1 ? 
ATOM   797  C  CD2 . PHE A 1 95  ? 8.687   -5.933  10.682  1.000 7.834  0 95  PHE A CD2 1 ? 
ATOM   798  C  CE1 . PHE A 1 95  ? 8.008   -4.169  8.691   1.000 8.252  0 95  PHE A CE1 1 ? 
ATOM   799  C  CE2 . PHE A 1 95  ? 7.367   -5.761  10.319  1.000 8.093  0 95  PHE A CE2 1 ? 
ATOM   800  C  CZ  . PHE A 1 95  ? 7.036   -4.821  9.384   1.000 8.171  0 95  PHE A CZ  1 ? 
ATOM   801  N  N   . HIS A 1 96  ? 13.362  -6.044  12.337  1.000 6.817  0 96  HIS A N   1 ? 
ATOM   802  C  CA  . HIS A 1 96  ? 14.511  -6.888  12.616  1.000 6.649  0 96  HIS A CA  1 ? 
ATOM   803  C  C   . HIS A 1 96  ? 14.068  -8.344  12.481  1.000 6.725  0 96  HIS A C   1 ? 
ATOM   804  O  O   . HIS A 1 96  ? 12.964  -8.670  12.943  1.000 6.965  0 96  HIS A O   1 ? 
ATOM   805  C  CB  . HIS A 1 96  ? 15.067  -6.604  14.015  1.000 6.974  0 96  HIS A CB  1 ? 
ATOM   806  C  CG  . HIS A 1 96  ? 15.406  -5.155  14.236  1.000 7.178  0 96  HIS A CG  1 ? 
ATOM   807  N  ND1 . HIS A 1 96  ? 16.657  -4.623  14.023  1.000 6.582  0 96  HIS A ND1 1 ? 
ATOM   808  C  CD2 . HIS A 1 96  ? 14.644  -4.147  14.592  1.000 7.802  0 96  HIS A CD2 1 ? 
ATOM   809  C  CE1 . HIS A 1 96  ? 16.607  -3.309  14.371  1.000 6.548  0 96  HIS A CE1 1 ? 
ATOM   810  N  NE2 . HIS A 1 96  ? 15.363  -2.997  14.678  1.000 7.466  0 96  HIS A NE2 1 ? 
ATOM   811  N  N   . TRP A 1 97  ? 14.885  -9.173  11.826  1.000 6.584  0 97  TRP A N   1 ? 
ATOM   812  C  CA  . TRP A 1 97  ? 14.477  -10.551 11.626  1.000 6.938  0 97  TRP A CA  1 ? 
ATOM   813  C  C   . TRP A 1 97  ? 15.684  -11.472 11.514  1.000 7.430  0 97  TRP A C   1 ? 
ATOM   814  O  O   . TRP A 1 97  ? 16.847  -11.015 11.444  1.000 8.214  0 97  TRP A O   1 ? 
ATOM   815  C  CB  . TRP A 1 97  ? 13.565  -10.632 10.388  1.000 7.411  0 97  TRP A CB  1 ? 
ATOM   816  C  CG  . TRP A 1 97  ? 14.260  -10.261 9.120   1.000 7.640  0 97  TRP A CG  1 ? 
ATOM   817  C  CD1 . TRP A 1 97  ? 14.907  -11.123 8.286   1.000 8.223  0 97  TRP A CD1 1 ? 
ATOM   818  C  CD2 . TRP A 1 97  ? 14.334  -8.977  8.505   1.000 8.346  0 97  TRP A CD2 1 ? 
ATOM   819  N  NE1 . TRP A 1 97  ? 15.413  -10.444 7.219   1.000 9.303  0 97  TRP A NE1 1 ? 
ATOM   820  C  CE2 . TRP A 1 97  ? 15.107  -9.108  7.320   1.000 9.254  0 97  TRP A CE2 1 ? 
ATOM   821  C  CE3 . TRP A 1 97  ? 13.841  -7.724  8.872   1.000 9.081  0 97  TRP A CE3 1 ? 
ATOM   822  C  CZ2 . TRP A 1 97  ? 15.333  -8.024  6.467   1.000 9.720  0 97  TRP A CZ2 1 ? 
ATOM   823  C  CZ3 . TRP A 1 97  ? 14.058  -6.660  8.019   1.000 8.741  0 97  TRP A CZ3 1 ? 
ATOM   824  C  CH2 . TRP A 1 97  ? 14.814  -6.804  6.843   1.000 10.145 0 97  TRP A CH2 1 ? 
ATOM   825  N  N   . GLY A 1 98  ? 15.373  -12.779 11.489  1.000 8.216  0 98  GLY A N   1 ? 
ATOM   826  C  CA  . GLY A 1 98  ? 16.422  -13.775 11.575  1.000 8.981  0 98  GLY A CA  1 ? 
ATOM   827  C  C   . GLY A 1 98  ? 16.626  -14.546 10.268  1.000 11.143 0 98  GLY A C   1 ? 
ATOM   828  O  O   . GLY A 1 98  ? 15.861  -14.404 9.312   1.000 11.197 0 98  GLY A O   1 ? 
ATOM   829  N  N   . SER A 1 99  ? 17.595  -15.461 10.333  1.000 10.937 0 99  SER A N   1 ? 
ATOM   830  C  CA  . SER A 1 99  ? 17.781  -16.449 9.276   1.000 11.846 0 99  SER A CA  1 ? 
ATOM   831  C  C   . SER A 1 99  ? 16.896  -17.679 9.472   1.000 13.997 0 99  SER A C   1 ? 
ATOM   832  O  O   . SER A 1 99  ? 16.741  -18.456 8.512   1.000 16.457 0 99  SER A O   1 ? 
ATOM   833  C  CB  . SER A 1 99  ? 19.220  -16.847 9.258   1.000 12.994 0 99  SER A CB  1 ? 
ATOM   834  O  OG  . SER A 1 99  ? 19.694  -17.235 10.532  1.000 14.572 0 99  SER A OG  1 ? 
ATOM   835  N  N   . LEU A 1 100 ? 16.407  -17.937 10.685  1.000 12.354 0 100 LEU A N   1 ? 
ATOM   836  C  CA  . LEU A 1 100 ? 15.541  -19.044 11.022  1.000 13.849 0 100 LEU A CA  1 ? 
ATOM   837  C  C   . LEU A 1 100 ? 14.406  -18.501 11.878  1.000 13.181 0 100 LEU A C   1 ? 
ATOM   838  O  O   . LEU A 1 100 ? 14.578  -17.422 12.471  1.000 13.118 0 100 LEU A O   1 ? 
ATOM   839  C  CB  . LEU A 1 100 ? 16.317  -20.061 11.850  1.000 15.966 0 100 LEU A CB  1 ? 
ATOM   840  C  CG  . LEU A 1 100 ? 17.575  -20.667 11.230  1.000 18.002 0 100 LEU A CG  1 ? 
ATOM   841  C  CD1 . LEU A 1 100 ? 18.427  -21.326 12.317  1.000 20.558 0 100 LEU A CD1 1 ? 
ATOM   842  C  CD2 . LEU A 1 100 ? 17.117  -21.677 10.173  1.000 17.996 0 100 LEU A CD2 1 ? 
ATOM   843  N  N   . ASP A 1 101 ? 13.286  -19.195 11.965  1.000 12.782 0 101 ASP A N   1 ? 
ATOM   844  C  CA  . ASP A 1 101 ? 12.091  -18.659 12.607  1.000 13.160 0 101 ASP A CA  1 ? 
ATOM   845  C  C   . ASP A 1 101 ? 12.249  -18.518 14.119  1.000 14.243 0 101 ASP A C   1 ? 
ATOM   846  O  O   . ASP A 1 101 ? 11.446  -17.832 14.725  1.000 15.998 0 101 ASP A O   1 ? 
ATOM   847  C  CB  . ASP A 1 101 ? 10.866  -19.505 12.287  1.000 14.388 0 101 ASP A CB  1 ? 
ATOM   848  C  CG  . ASP A 1 101 ? 10.441  -19.540 10.837  1.000 16.501 0 101 ASP A CG  1 ? 
ATOM   849  O  OD1 . ASP A 1 101 ? 10.957  -18.753 9.996   1.000 17.024 0 101 ASP A OD1 1 ? 
ATOM   850  O  OD2 . ASP A 1 101 ? 9.541   -20.361 10.538  1.000 20.797 0 101 ASP A OD2 1 ? 
ATOM   851  N  N   . GLY A 1 102 ? 13.258  -19.169 14.723  1.000 14.121 0 102 GLY A N   1 ? 
ATOM   852  C  CA  . GLY A 1 102 ? 13.495  -19.123 16.153  1.000 14.233 0 102 GLY A CA  1 ? 
ATOM   853  C  C   . GLY A 1 102 ? 14.367  -17.950 16.631  1.000 11.476 0 102 GLY A C   1 ? 
ATOM   854  O  O   . GLY A 1 102 ? 14.780  -17.958 17.799  1.000 12.364 0 102 GLY A O   1 ? 
ATOM   855  N  N   . GLN A 1 103 ? 14.762  -17.060 15.711  1.000 11.120 0 103 GLN A N   1 ? 
ATOM   856  C  CA  . GLN A 1 103 ? 15.560  -15.902 16.108  1.000 9.972  0 103 GLN A CA  1 ? 
ATOM   857  C  C   . GLN A 1 103 ? 15.206  -14.759 15.180  1.000 9.409  0 103 GLN A C   1 ? 
ATOM   858  O  O   . GLN A 1 103 ? 14.613  -14.964 14.122  1.000 10.956 0 103 GLN A O   1 ? 
ATOM   859  C  CB  . GLN A 1 103 ? 17.047  -16.230 16.041  1.000 11.259 0 103 GLN A CB  1 ? 
ATOM   860  C  CG  . GLN A 1 103 ? 17.517  -16.547 14.624  1.000 13.046 0 103 GLN A CG  1 ? 
ATOM   861  C  CD  . GLN A 1 103 ? 18.847  -17.272 14.591  1.000 18.217 0 103 GLN A CD  1 ? 
ATOM   862  O  OE1 . GLN A 1 103 ? 18.941  -18.427 15.035  1.000 19.749 0 103 GLN A OE1 1 ? 
ATOM   863  N  NE2 . GLN A 1 103 ? 19.886  -16.633 14.067  1.000 15.622 0 103 GLN A NE2 1 ? 
ATOM   864  N  N   . GLY A 1 104 ? 15.498  -13.542 15.627  1.000 7.839  0 104 GLY A N   1 ? 
ATOM   865  C  CA  . GLY A 1 104 ? 15.217  -12.355 14.822  1.000 7.516  0 104 GLY A CA  1 ? 
ATOM   866  C  C   . GLY A 1 104 ? 14.809  -11.155 15.650  1.000 7.170  0 104 GLY A C   1 ? 
ATOM   867  O  O   . GLY A 1 104 ? 15.068  -10.007 15.258  1.000 7.834  0 104 GLY A O   1 ? 
ATOM   868  N  N   . SER A 1 105 ? 14.114  -11.430 16.762  1.000 7.295  0 105 SER A N   1 ? 
ATOM   869  C  CA  . SER A 1 105 ? 13.711  -10.310 17.615  1.000 7.489  0 105 SER A CA  1 ? 
ATOM   870  C  C   . SER A 1 105 ? 14.915  -9.774  18.379  1.000 7.157  0 105 SER A C   1 ? 
ATOM   871  O  O   . SER A 1 105 ? 15.947  -10.436 18.567  1.000 7.984  0 105 SER A O   1 ? 
ATOM   872  C  CB  . SER A 1 105 ? 12.579  -10.634 18.529  1.000 7.275  0 105 SER A CB  1 ? 
ATOM   873  O  OG  . SER A 1 105 ? 12.998  -11.571 19.494  1.000 7.547  0 105 SER A OG  1 ? 
ATOM   874  N  N   . GLU A 1 106 ? 14.771  -8.521  18.775  1.000 6.600  0 106 GLU A N   1 ? 
ATOM   875  C  CA  . GLU A 1 106 ? 15.776  -7.835  19.590  1.000 6.639  0 106 GLU A CA  1 ? 
ATOM   876  C  C   . GLU A 1 106 ? 15.444  -7.982  21.065  1.000 6.847  0 106 GLU A C   1 ? 
ATOM   877  O  O   . GLU A 1 106 ? 16.247  -8.518  21.826  1.000 6.588  0 106 GLU A O   1 ? 
ATOM   878  C  CB  . GLU A 1 106 ? 15.853  -6.371  19.177  1.000 7.335  0 106 GLU A CB  1 ? 
ATOM   879  C  CG  . GLU A 1 106 ? 16.372  -6.252  17.746  1.000 8.577  0 106 GLU A CG  1 ? 
ATOM   880  C  CD  . GLU A 1 106 ? 17.004  -4.948  17.391  1.000 8.739  0 106 GLU A CD  1 ? 
ATOM   881  O  OE1 . GLU A 1 106 ? 16.383  -3.898  17.659  1.000 8.743  0 106 GLU A OE1 1 ? 
ATOM   882  O  OE2 . GLU A 1 106 ? 18.158  -5.008  16.947  1.000 8.668  0 106 GLU A OE2 1 ? 
ATOM   883  N  N   . HIS A 1 107 ? 14.263  -7.541  21.500  1.000 6.709  0 107 HIS A N   1 ? 
ATOM   884  C  CA  . HIS A 1 107 ? 13.758  -7.896  22.814  1.000 6.537  0 107 HIS A CA  1 ? 
ATOM   885  C  C   . HIS A 1 107 ? 13.529  -9.402  22.837  1.000 7.156  0 107 HIS A C   1 ? 
ATOM   886  O  O   . HIS A 1 107 ? 13.158  -10.022 21.819  1.000 7.001  0 107 HIS A O   1 ? 
ATOM   887  C  CB  . HIS A 1 107 ? 12.536  -7.070  23.203  1.000 6.582  0 107 HIS A CB  1 ? 
ATOM   888  C  CG  . HIS A 1 107 ? 12.870  -5.641  23.320  1.000 5.972  0 107 HIS A CG  1 ? 
ATOM   889  N  ND1 . HIS A 1 107 ? 12.802  -4.762  22.271  1.000 6.752  0 107 HIS A ND1 1 ? 
ATOM   890  C  CD2 . HIS A 1 107 ? 13.355  -4.933  24.365  1.000 5.886  0 107 HIS A CD2 1 ? 
ATOM   891  C  CE1 . HIS A 1 107 ? 13.261  -3.570  22.713  1.000 6.394  0 107 HIS A CE1 1 ? 
ATOM   892  N  NE2 . HIS A 1 107 ? 13.582  -3.655  23.985  1.000 6.207  0 107 HIS A NE2 1 ? 
ATOM   893  N  N   . THR A 1 108 ? 13.656  -9.959  24.043  1.000 7.522  0 108 THR A N   1 ? 
ATOM   894  C  CA  . THR A 1 108 ? 13.256  -11.322 24.340  1.000 7.370  0 108 THR A CA  1 ? 
ATOM   895  C  C   . THR A 1 108 ? 12.287  -11.332 25.521  1.000 7.592  0 108 THR A C   1 ? 
ATOM   896  O  O   . THR A 1 108 ? 12.285  -10.388 26.293  1.000 8.091  0 108 THR A O   1 ? 
ATOM   897  C  CB  . THR A 1 108 ? 14.470  -12.235 24.537  1.000 7.653  0 108 THR A CB  1 ? 
ATOM   898  O  OG1 . THR A 1 108 ? 15.294  -11.725 25.577  1.000 9.180  0 108 THR A OG1 1 ? 
ATOM   899  C  CG2 . THR A 1 108 ? 15.304  -12.305 23.283  1.000 8.504  0 108 THR A CG2 1 ? 
ATOM   900  N  N   . VAL A 1 109 ? 11.487  -12.404 25.653  1.000 8.110  0 109 VAL A N   1 ? 
ATOM   901  C  CA  . VAL A 1 109 ? 10.506  -12.487 26.739  1.000 8.365  0 109 VAL A CA  1 ? 
ATOM   902  C  C   . VAL A 1 109 ? 10.828  -13.776 27.471  1.000 9.264  0 109 VAL A C   1 ? 
ATOM   903  O  O   . VAL A 1 109 ? 10.680  -14.838 26.872  1.000 9.947  0 109 VAL A O   1 ? 
ATOM   904  C  CB  . VAL A 1 109 ? 9.062   -12.472 26.221  1.000 9.100  0 109 VAL A CB  1 ? 
ATOM   905  C  CG1 . VAL A 1 109 ? 8.077   -12.480 27.373  1.000 10.869 0 109 VAL A CG1 1 ? 
ATOM   906  C  CG2 . VAL A 1 109 ? 8.788   -11.241 25.382  1.000 9.393  0 109 VAL A CG2 1 ? 
ATOM   907  N  N   . ASP A 1 110 ? 11.317  -13.659 28.709  1.000 10.024 0 110 ASP A N   1 ? 
ATOM   908  C  CA  . ASP A 1 110 ? 11.791  -14.834 29.444  1.000 11.017 0 110 ASP A CA  1 ? 
ATOM   909  C  C   . ASP A 1 110 ? 12.778  -15.626 28.597  1.000 11.256 0 110 ASP A C   1 ? 
ATOM   910  O  O   . ASP A 1 110 ? 12.708  -16.863 28.566  1.000 11.722 0 110 ASP A O   1 ? 
ATOM   911  C  CB  . ASP A 1 110 ? 10.597  -15.652 29.949  1.000 12.064 0 110 ASP A CB  1 ? 
ATOM   912  C  CG  . ASP A 1 110 ? 9.737   -14.895 30.927  1.000 11.255 0 110 ASP A CG  1 ? 
ATOM   913  O  OD1 . ASP A 1 110 ? 10.291  -14.068 31.654  1.000 13.393 0 110 ASP A OD1 1 ? 
ATOM   914  O  OD2 . ASP A 1 110 ? 8.543   -15.147 30.951  1.000 16.684 0 110 ASP A OD2 1 ? 
ATOM   915  N  N   . LYS A 1 111 ? 13.671  -14.918 27.886  1.000 10.693 0 111 LYS A N   1 ? 
ATOM   916  C  CA  . LYS A 1 111 ? 14.716  -15.404 26.996  1.000 11.363 0 111 LYS A CA  1 ? 
ATOM   917  C  C   . LYS A 1 111 ? 14.194  -15.972 25.671  1.000 9.804  0 111 LYS A C   1 ? 
ATOM   918  O  O   . LYS A 1 111 ? 14.972  -16.307 24.779  1.000 11.503 0 111 LYS A O   1 ? 
ATOM   919  C  CB  . LYS A 1 111 ? 15.596  -16.445 27.709  1.000 12.036 0 111 LYS A CB  1 ? 
ATOM   920  C  CG  . LYS A 1 111 ? 16.320  -15.967 28.946  1.000 15.474 0 111 LYS A CG  1 ? 
ATOM   921  C  CD  . LYS A 1 111 ? 17.387  -14.984 28.620  1.000 19.435 0 111 LYS A CD  1 ? 
ATOM   922  C  CE  . LYS A 1 111 ? 17.955  -14.233 29.814  1.000 23.131 0 111 LYS A CE  1 ? 
ATOM   923  N  NZ  . LYS A 1 111 ? 19.258  -14.774 30.216  1.000 25.251 0 111 LYS A NZ  1 ? 
ATOM   924  N  N   . LYS A 1 112 ? 12.885  -15.962 25.450  1.000 8.814  0 112 LYS A N   1 ? 
ATOM   925  C  CA  . LYS A 1 112 ? 12.307  -16.388 24.189  1.000 9.942  0 112 LYS A CA  1 ? 
ATOM   926  C  C   . LYS A 1 112 ? 12.557  -15.351 23.107  1.000 10.280 0 112 LYS A C   1 ? 
ATOM   927  O  O   . LYS A 1 112 ? 12.273  -14.167 23.294  1.000 9.795  0 112 LYS A O   1 ? 
ATOM   928  C  CB  . LYS A 1 112 ? 10.797  -16.520 24.280  1.000 12.171 0 112 LYS A CB  1 ? 
ATOM   929  C  CG  . LYS A 1 112 ? 10.116  -16.938 22.978  1.000 14.617 0 112 LYS A CG  1 ? 
ATOM   930  C  CD  . LYS A 1 112 ? 8.603   -17.118 23.104  1.000 17.758 0 112 LYS A CD  1 ? 
ATOM   931  C  CE  . LYS A 1 112 ? 7.885   -17.304 21.783  1.000 19.275 0 112 LYS A CE  1 ? 
ATOM   932  N  NZ  . LYS A 1 112 ? 8.172   -18.593 21.144  1.000 20.099 0 112 LYS A NZ  1 ? 
ATOM   933  N  N   . LYS A 1 113 ? 13.100  -15.813 21.968  1.000 10.352 0 113 LYS A N   1 ? 
ATOM   934  C  CA  . LYS A 1 113 ? 13.292  -14.993 20.775  1.000 9.475  0 113 LYS A CA  1 ? 
ATOM   935  C  C   . LYS A 1 113 ? 12.172  -15.259 19.793  1.000 10.175 0 113 LYS A C   1 ? 
ATOM   936  O  O   . LYS A 1 113 ? 11.763  -16.405 19.582  1.000 11.784 0 113 LYS A O   1 ? 
ATOM   937  C  CB  . LYS A 1 113 ? 14.605  -15.320 20.080  1.000 10.725 0 113 LYS A CB  1 ? 
ATOM   938  C  CG  . LYS A 1 113 ? 15.816  -15.003 20.935  1.000 11.715 0 113 LYS A CG  1 ? 
ATOM   939  C  CD  . LYS A 1 113 ? 17.110  -15.526 20.366  1.000 13.189 0 113 LYS A CD  1 ? 
ATOM   940  C  CE  . LYS A 1 113 ? 18.320  -14.926 21.048  1.000 17.511 0 113 LYS A CE  1 ? 
ATOM   941  N  NZ  . LYS A 1 113 ? 19.472  -15.842 21.163  1.000 22.194 0 113 LYS A NZ  1 ? 
ATOM   942  N  N   . TYR A 1 114 ? 11.642  -14.202 19.179  1.000 8.216  0 114 TYR A N   1 ? 
ATOM   943  C  CA  . TYR A 1 114 ? 10.640  -14.299 18.134  1.000 7.913  0 114 TYR A CA  1 ? 
ATOM   944  C  C   . TYR A 1 114 ? 11.303  -14.218 16.755  1.000 8.347  0 114 TYR A C   1 ? 
ATOM   945  O  O   . TYR A 1 114 ? 12.469  -13.906 16.634  1.000 8.665  0 114 TYR A O   1 ? 
ATOM   946  C  CB  . TYR A 1 114 ? 9.608   -13.188 18.325  1.000 8.537  0 114 TYR A CB  1 ? 
ATOM   947  C  CG  . TYR A 1 114 ? 8.656   -13.379 19.487  1.000 9.141  0 114 TYR A CG  1 ? 
ATOM   948  C  CD1 . TYR A 1 114 ? 8.957   -12.952 20.762  1.000 9.973  0 114 TYR A CD1 1 ? 
ATOM   949  C  CD2 . TYR A 1 114 ? 7.471   -14.040 19.297  1.000 10.613 0 114 TYR A CD2 1 ? 
ATOM   950  C  CE1 . TYR A 1 114 ? 8.067   -13.191 21.804  1.000 12.036 0 114 TYR A CE1 1 ? 
ATOM   951  C  CE2 . TYR A 1 114 ? 6.585   -14.312 20.322  1.000 12.338 0 114 TYR A CE2 1 ? 
ATOM   952  C  CZ  . TYR A 1 114 ? 6.885   -13.868 21.582  1.000 13.720 0 114 TYR A CZ  1 ? 
ATOM   953  O  OH  . TYR A 1 114 ? 5.996   -14.079 22.622  1.000 21.090 0 114 TYR A OH  1 ? 
ATOM   954  N  N   . ALA A 1 115 ? 10.525  -14.519 15.715  1.000 8.866  0 115 ALA A N   1 ? 
ATOM   955  C  CA  . ALA A 1 115 ? 11.053  -14.542 14.357  1.000 8.531  0 115 ALA A CA  1 ? 
ATOM   956  C  C   . ALA A 1 115 ? 11.433  -13.173 13.861  1.000 8.028  0 115 ALA A C   1 ? 
ATOM   957  O  O   . ALA A 1 115 ? 12.284  -13.069 12.985  1.000 8.933  0 115 ALA A O   1 ? 
ATOM   958  C  CB  . ALA A 1 115 ? 10.068  -15.139 13.424  1.000 8.916  0 115 ALA A CB  1 ? 
ATOM   959  N  N   . ALA A 1 116 ? 10.798  -12.142 14.398  1.000 7.817  0 116 ALA A N   1 ? 
ATOM   960  C  CA  . ALA A 1 116 ? 11.056  -10.791 13.952  1.000 7.249  0 116 ALA A CA  1 ? 
ATOM   961  C  C   . ALA A 1 116 ? 10.475  -9.826  14.991  1.000 6.808  0 116 ALA A C   1 ? 
ATOM   962  O  O   . ALA A 1 116 ? 9.705   -10.224 15.874  1.000 6.669  0 116 ALA A O   1 ? 
ATOM   963  C  CB  . ALA A 1 116 ? 10.475  -10.547 12.569  1.000 7.276  0 116 ALA A CB  1 ? 
ATOM   964  N  N   . GLU A 1 117 ? 10.793  -8.545  14.806  1.000 6.419  0 117 GLU A N   1 ? 
ATOM   965  C  CA  . GLU A 1 117 ? 10.295  -7.476  15.655  1.000 5.977  0 117 GLU A CA  1 ? 
ATOM   966  C  C   . GLU A 1 117 ? 10.127  -6.234  14.784  1.000 6.258  0 117 GLU A C   1 ? 
ATOM   967  O  O   . GLU A 1 117 ? 11.028  -5.880  14.023  1.000 7.265  0 117 GLU A O   1 ? 
ATOM   968  C  CB  . GLU A 1 117 ? 11.227  -7.214  16.826  1.000 6.226  0 117 GLU A CB  1 ? 
ATOM   969  C  CG  . GLU A 1 117 ? 10.697  -6.318  17.960  1.000 6.639  0 117 GLU A CG  1 ? 
ATOM   970  C  CD  . GLU A 1 117 ? 11.633  -6.247  19.150  1.000 8.229  0 117 GLU A CD  1 ? 
ATOM   971  O  OE1 . GLU A 1 117 ? 12.346  -7.259  19.438  1.000 8.265  0 117 GLU A OE1 1 ? 
ATOM   972  O  OE2 . GLU A 1 117 ? 11.653  -5.180  19.800  1.000 8.721  0 117 GLU A OE2 1 ? 
ATOM   973  N  N   . LEU A 1 118 ? 8.930   -5.650  14.912  1.000 6.172  0 118 LEU A N   1 ? 
ATOM   974  C  CA  . LEU A 1 118 ? 8.520   -4.404  14.281  1.000 5.834  0 118 LEU A CA  1 ? 
ATOM   975  C  C   . LEU A 1 118 ? 8.753   -3.248  15.257  1.000 5.839  0 118 LEU A C   1 ? 
ATOM   976  O  O   . LEU A 1 118 ? 8.306   -3.343  16.373  1.000 6.104  0 118 LEU A O   1 ? 
ATOM   977  C  CB  . LEU A 1 118 ? 7.015   -4.497  13.905  1.000 6.490  0 118 LEU A CB  1 ? 
ATOM   978  C  CG  . LEU A 1 118 ? 6.280   -3.199  13.559  1.000 6.919  0 118 LEU A CG  1 ? 
ATOM   979  C  CD1 . LEU A 1 118 ? 6.885   -2.527  12.374  1.000 7.319  0 118 LEU A CD1 1 ? 
ATOM   980  C  CD2 . LEU A 1 118 ? 4.819   -3.523  13.244  1.000 7.663  0 118 LEU A CD2 1 ? 
ATOM   981  N  N   . HIS A 1 119 ? 9.416   -2.180  14.785  1.000 5.688  0 119 HIS A N   1 ? 
ATOM   982  C  CA  . HIS A 1 119 ? 9.675   -0.986  15.573  1.000 6.334  0 119 HIS A CA  1 ? 
ATOM   983  C  C   . HIS A 1 119 ? 8.991   0.188   14.878  1.000 6.222  0 119 HIS A C   1 ? 
ATOM   984  O  O   . HIS A 1 119 ? 9.359   0.512   13.747  1.000 6.734  0 119 HIS A O   1 ? 
ATOM   985  C  CB  . HIS A 1 119 ? 11.191  -0.733  15.644  1.000 6.159  0 119 HIS A CB  1 ? 
ATOM   986  C  CG  . HIS A 1 119 ? 11.817  -1.722  16.547  1.000 6.571  0 119 HIS A CG  1 ? 
ATOM   987  N  ND1 . HIS A 1 119 ? 13.169  -1.966  16.558  1.000 6.863  0 119 HIS A ND1 1 ? 
ATOM   988  C  CD2 . HIS A 1 119 ? 11.277  -2.542  17.457  1.000 6.436  0 119 HIS A CD2 1 ? 
ATOM   989  C  CE1 . HIS A 1 119 ? 13.403  -2.913  17.490  1.000 6.558  0 119 HIS A CE1 1 ? 
ATOM   990  N  NE2 . HIS A 1 119 ? 12.301  -3.270  18.090  1.000 6.722  0 119 HIS A NE2 1 ? 
ATOM   991  N  N   . LEU A 1 120 ? 8.031   0.824   15.553  1.000 6.145  0 120 LEU A N   1 ? 
ATOM   992  C  CA  . LEU A 1 120 ? 7.410   2.066   15.097  1.000 6.365  0 120 LEU A CA  1 ? 
ATOM   993  C  C   . LEU A 1 120 ? 8.057   3.176   15.907  1.000 6.211  0 120 LEU A C   1 ? 
ATOM   994  O  O   . LEU A 1 120 ? 7.925   3.217   17.121  1.000 6.021  0 120 LEU A O   1 ? 
ATOM   995  C  CB  . LEU A 1 120 ? 5.893   1.988   15.307  1.000 6.748  0 120 LEU A CB  1 ? 
ATOM   996  C  CG  . LEU A 1 120 ? 5.199   0.889   14.472  1.000 8.235  0 120 LEU A CG  1 ? 
ATOM   997  C  CD1 . LEU A 1 120 ? 4.309   0.014   15.320  1.000 10.531 0 120 LEU A CD1 1 ? 
ATOM   998  C  CD2 . LEU A 1 120 ? 4.389   1.485   13.340  1.000 9.205  0 120 LEU A CD2 1 ? 
ATOM   999  N  N   . VAL A 1 121 ? 8.801   4.027   15.218  1.000 6.241  0 121 VAL A N   1 ? 
ATOM   1000 C  CA  . VAL A 1 121 ? 9.674   5.032   15.809  1.000 7.110  0 121 VAL A CA  1 ? 
ATOM   1001 C  C   . VAL A 1 121 ? 8.991   6.399   15.822  1.000 7.602  0 121 VAL A C   1 ? 
ATOM   1002 O  O   . VAL A 1 121 ? 8.511   6.867   14.785  1.000 8.476  0 121 VAL A O   1 ? 
ATOM   1003 C  CB  . VAL A 1 121 ? 11.004  5.088   15.048  1.000 7.584  0 121 VAL A CB  1 ? 
ATOM   1004 C  CG1 . VAL A 1 121 ? 11.933  6.056   15.737  1.000 7.982  0 121 VAL A CG1 1 ? 
ATOM   1005 C  CG2 . VAL A 1 121 ? 11.603  3.707   14.901  1.000 7.697  0 121 VAL A CG2 1 ? 
ATOM   1006 N  N   . HIS A 1 122 ? 8.884   6.986   17.017  1.000 7.584  0 122 HIS A N   1 ? 
ATOM   1007 C  CA  . HIS A 1 122 ? 8.246   8.267   17.216  1.000 8.584  0 122 HIS A CA  1 ? 
ATOM   1008 C  C   . HIS A 1 122 ? 9.150   9.239   17.972  1.000 8.239  0 122 HIS A C   1 ? 
ATOM   1009 O  O   . HIS A 1 122 ? 9.989   8.856   18.764  1.000 8.195  0 122 HIS A O   1 ? 
ATOM   1010 C  CB  . HIS A 1 122 ? 6.999   8.110   18.092  1.000 7.145  0 122 HIS A CB  1 ? 
ATOM   1011 C  CG  . HIS A 1 122 ? 6.052   7.017   17.698  1.000 7.619  0 122 HIS A CG  1 ? 
ATOM   1012 N  ND1 . HIS A 1 122 ? 6.354   5.675   17.940  1.000 8.321  0 122 HIS A ND1 1 ? 
ATOM   1013 C  CD2 . HIS A 1 122 ? 4.815   7.019   17.144  1.000 7.908  0 122 HIS A CD2 1 ? 
ATOM   1014 C  CE1 . HIS A 1 122 ? 5.347   4.928   17.487  1.000 8.490  0 122 HIS A CE1 1 ? 
ATOM   1015 N  NE2 . HIS A 1 122 ? 4.390   5.691   17.009  1.000 8.033  0 122 HIS A NE2 1 ? 
ATOM   1016 N  N   . TRP A 1 123 ? 8.921   10.557  17.783  1.000 8.839  0 123 TRP A N   1 ? 
ATOM   1017 C  CA  . TRP A 1 123 ? 9.734   11.559  18.471  1.000 9.085  0 123 TRP A CA  1 ? 
ATOM   1018 C  C   . TRP A 1 123 ? 8.825   12.574  19.178  1.000 8.716  0 123 TRP A C   1 ? 
ATOM   1019 O  O   . TRP A 1 123 ? 7.718   12.854  18.712  1.000 9.158  0 123 TRP A O   1 ? 
ATOM   1020 C  CB  . TRP A 1 123 ? 10.725  12.259  17.521  1.000 10.173 0 123 TRP A CB  1 ? 
ATOM   1021 C  CG  . TRP A 1 123 ? 10.112  12.933  16.323  1.000 11.158 0 123 TRP A CG  1 ? 
ATOM   1022 C  CD1 . TRP A 1 123 ? 9.799   12.385  15.114  1.000 12.423 0 123 TRP A CD1 1 ? 
ATOM   1023 C  CD2 . TRP A 1 123 ? 9.710   14.309  16.249  1.000 10.983 0 123 TRP A CD2 1 ? 
ATOM   1024 N  NE1 . TRP A 1 123 ? 9.253   13.323  14.274  1.000 12.548 0 123 TRP A NE1 1 ? 
ATOM   1025 C  CE2 . TRP A 1 123 ? 9.172   14.510  14.956  1.000 12.666 0 123 TRP A CE2 1 ? 
ATOM   1026 C  CE3 . TRP A 1 123 ? 9.786   15.389  17.147  1.000 12.196 0 123 TRP A CE3 1 ? 
ATOM   1027 C  CZ2 . TRP A 1 123 ? 8.677   15.732  14.517  1.000 13.567 0 123 TRP A CZ2 1 ? 
ATOM   1028 C  CZ3 . TRP A 1 123 ? 9.271   16.599  16.698  1.000 13.251 0 123 TRP A CZ3 1 ? 
ATOM   1029 C  CH2 . TRP A 1 123 ? 8.745   16.762  15.418  1.000 14.302 0 123 TRP A CH2 1 ? 
ATOM   1030 N  N   . ASN A 1 124 ? 9.350   13.113  20.290  1.000 9.248  0 124 ASN A N   1 ? 
ATOM   1031 C  CA  . ASN A 1 124 ? 8.625   13.960  21.214  1.000 10.189 0 124 ASN A CA  1 ? 
ATOM   1032 C  C   . ASN A 1 124 ? 8.522   15.367  20.616  1.000 10.686 0 124 ASN A C   1 ? 
ATOM   1033 O  O   . ASN A 1 124 ? 9.558   15.999  20.413  1.000 10.955 0 124 ASN A O   1 ? 
ATOM   1034 C  CB  . ASN A 1 124 ? 9.376   13.941  22.530  1.000 10.816 0 124 ASN A CB  1 ? 
ATOM   1035 C  CG  . ASN A 1 124 ? 8.632   14.621  23.659  1.000 13.332 0 124 ASN A CG  1 ? 
ATOM   1036 O  OD1 . ASN A 1 124 ? 7.814   15.502  23.388  1.000 12.693 0 124 ASN A OD1 1 ? 
ATOM   1037 N  ND2 . ASN A 1 124 ? 8.966   14.250  24.883  1.000 14.489 0 124 ASN A ND2 1 ? 
ATOM   1038 N  N   . THR A 1 125 ? 7.295   15.807  20.323  1.000 11.825 0 125 THR A N   1 ? 
ATOM   1039 C  CA  . THR A 1 125 ? 7.120   17.057  19.593  1.000 12.317 0 125 THR A CA  1 ? 
ATOM   1040 C  C   . THR A 1 125 ? 7.570   18.269  20.404  1.000 14.070 0 125 THR A C   1 ? 
ATOM   1041 O  O   . THR A 1 125 ? 7.709   19.324  19.788  1.000 15.225 0 125 THR A O   1 ? 
ATOM   1042 C  CB  . THR A 1 125 ? 5.674   17.257  19.116  1.000 14.153 0 125 THR A CB  1 ? 
ATOM   1043 O  OG1 . THR A 1 125 ? 4.834   17.319  20.263  1.000 14.698 0 125 THR A OG1 1 ? 
ATOM   1044 C  CG2 . THR A 1 125 ? 5.237   16.145  18.191  1.000 16.778 0 125 THR A CG2 1 ? 
ATOM   1045 N  N   . LYS A 1 126 ? 7.823   18.135  21.696  1.000 13.352 0 127 LYS A N   1 ? 
ATOM   1046 C  CA  . LYS A 1 126 ? 8.264   19.291  22.462  1.000 15.856 0 127 LYS A CA  1 ? 
ATOM   1047 C  C   . LYS A 1 126 ? 9.671   19.688  22.036  1.000 15.059 0 127 LYS A C   1 ? 
ATOM   1048 O  O   . LYS A 1 126 ? 10.084  20.840  22.260  1.000 14.908 0 127 LYS A O   1 ? 
ATOM   1049 C  CB  . LYS A 1 126 ? 8.185   19.099  23.975  1.000 17.683 0 127 LYS A CB  1 ? 
ATOM   1050 C  CG  . LYS A 1 126 ? 9.230   18.188  24.592  1.000 22.423 0 127 LYS A CG  1 ? 
ATOM   1051 C  CD  . LYS A 1 126 ? 8.931   17.789  26.039  1.000 28.218 0 127 LYS A CD  1 ? 
ATOM   1052 C  CE  . LYS A 1 126 ? 9.696   18.620  27.037  1.000 37.382 0 127 LYS A CE  1 ? 
ATOM   1053 N  NZ  . LYS A 1 126 ? 10.124  17.765  28.168  1.000 44.304 0 127 LYS A NZ  1 ? 
ATOM   1054 N  N   . TYR A 1 127 ? 10.408  18.827  21.330  1.000 11.596 0 128 TYR A N   1 ? 
ATOM   1055 C  CA  . TYR A 1 127 ? 11.739  19.148  20.873  1.000 11.400 0 128 TYR A CA  1 ? 
ATOM   1056 C  C   . TYR A 1 127 ? 11.791  19.589  19.414  1.000 10.755 0 128 TYR A C   1 ? 
ATOM   1057 O  O   . TYR A 1 127 ? 12.880  19.828  18.883  1.000 12.528 0 128 TYR A O   1 ? 
ATOM   1058 C  CB  . TYR A 1 127 ? 12.660  17.928  21.067  1.000 11.698 0 128 TYR A CB  1 ? 
ATOM   1059 C  CG  . TYR A 1 127 ? 12.772  17.566  22.529  1.000 12.678 0 128 TYR A CG  1 ? 
ATOM   1060 C  CD1 . TYR A 1 127 ? 13.178  18.505  23.465  1.000 13.316 0 128 TYR A CD1 1 ? 
ATOM   1061 C  CD2 . TYR A 1 127 ? 12.431  16.324  23.036  1.000 11.908 0 128 TYR A CD2 1 ? 
ATOM   1062 C  CE1 . TYR A 1 127 ? 13.250  18.214  24.812  1.000 13.665 0 128 TYR A CE1 1 ? 
ATOM   1063 C  CE2 . TYR A 1 127 ? 12.480  16.023  24.387  1.000 12.796 0 128 TYR A CE2 1 ? 
ATOM   1064 C  CZ  . TYR A 1 127 ? 12.916  16.969  25.302  1.000 13.987 0 128 TYR A CZ  1 ? 
ATOM   1065 O  OH  . TYR A 1 127 ? 13.012  16.659  26.645  1.000 14.678 0 128 TYR A OH  1 ? 
ATOM   1066 N  N   . GLY A 1 128 ? 10.655  19.632  18.732  1.000 11.365 0 129 GLY A N   1 ? 
ATOM   1067 C  CA  . GLY A 1 128 ? 10.519  20.341  17.472  1.000 11.827 0 129 GLY A CA  1 ? 
ATOM   1068 C  C   . GLY A 1 128 ? 10.973  19.595  16.215  1.000 12.513 0 129 GLY A C   1 ? 
ATOM   1069 O  O   . GLY A 1 128 ? 10.358  19.720  15.147  1.000 13.774 0 129 GLY A O   1 ? 
ATOM   1070 N  N   . ASP A 1 129 ? 12.077  18.834  16.308  1.000 11.722 0 130 ASP A N   1 ? 
ATOM   1071 C  CA  . ASP A 1 129 ? 12.481  17.970  15.228  1.000 11.842 0 130 ASP A CA  1 ? 
ATOM   1072 C  C   . ASP A 1 129 ? 13.193  16.744  15.787  1.000 12.282 0 130 ASP A C   1 ? 
ATOM   1073 O  O   . ASP A 1 129 ? 13.584  16.717  16.946  1.000 12.040 0 130 ASP A O   1 ? 
ATOM   1074 C  CB  . ASP A 1 129 ? 13.332  18.690  14.187  1.000 13.916 0 130 ASP A CB  1 ? 
ATOM   1075 C  CG  . ASP A 1 129 ? 14.701  19.132  14.667  1.000 15.725 0 130 ASP A CG  1 ? 
ATOM   1076 O  OD1 . ASP A 1 129 ? 15.526  18.273  15.000  1.000 18.897 0 130 ASP A OD1 1 ? 
ATOM   1077 O  OD2 . ASP A 1 129 ? 14.968  20.372  14.721  1.000 19.157 0 130 ASP A OD2 1 ? 
ATOM   1078 N  N   . VAL A 1 130 ? 13.341  15.733  14.936  1.000 13.305 0 131 VAL A N   1 ? 
ATOM   1079 C  CA  . VAL A 1 130 ? 13.860  14.457  15.404  1.000 14.815 0 131 VAL A CA  1 ? 
ATOM   1080 C  C   . VAL A 1 130 ? 15.326  14.541  15.775  1.000 14.606 0 131 VAL A C   1 ? 
ATOM   1081 O  O   . VAL A 1 130 ? 15.758  13.867  16.703  1.000 13.721 0 131 VAL A O   1 ? 
ATOM   1082 C  CB  . VAL A 1 130 ? 13.547  13.305  14.412  1.000 15.571 0 131 VAL A CB  1 ? 
ATOM   1083 C  CG1 . VAL A 1 130 ? 14.287  13.465  13.105  1.000 17.316 0 131 VAL A CG1 1 ? 
ATOM   1084 C  CG2 . VAL A 1 130 ? 13.879  11.964  15.056  1.000 17.679 0 131 VAL A CG2 1 ? 
ATOM   1085 N  N   A ASP A 1 131 ? 16.051  15.426  15.090  0.500 14.866 0 132 ASP A N   1 ? 
ATOM   1086 N  N   B ASP A 1 131 ? 16.120  15.361  15.072  0.500 14.553 0 132 ASP A N   1 ? 
ATOM   1087 C  CA  A ASP A 1 131 ? 17.478  15.600  15.264  0.500 15.517 0 132 ASP A CA  1 ? 
ATOM   1088 C  CA  B ASP A 1 131 ? 17.534  15.482  15.393  0.500 15.257 0 132 ASP A CA  1 ? 
ATOM   1089 C  C   A ASP A 1 131 ? 17.757  16.126  16.686  0.500 14.103 0 132 ASP A C   1 ? 
ATOM   1090 C  C   B ASP A 1 131 ? 17.690  16.019  16.817  0.500 13.874 0 132 ASP A C   1 ? 
ATOM   1091 O  O   A ASP A 1 131 ? 18.695  15.707  17.363  0.500 14.099 0 132 ASP A O   1 ? 
ATOM   1092 O  O   B ASP A 1 131 ? 18.468  15.511  17.624  0.500 13.231 0 132 ASP A O   1 ? 
ATOM   1093 C  CB  A ASP A 1 131 ? 17.969  16.430  14.069  0.500 18.841 0 132 ASP A CB  1 ? 
ATOM   1094 C  CB  B ASP A 1 131 ? 18.286  16.349  14.379  0.500 17.727 0 132 ASP A CB  1 ? 
ATOM   1095 C  CG  A ASP A 1 131 ? 17.266  16.079  12.752  0.500 22.833 0 132 ASP A CG  1 ? 
ATOM   1096 C  CG  B ASP A 1 131 ? 19.796  16.296  14.541  0.500 21.626 0 132 ASP A CG  1 ? 
ATOM   1097 O  OD1 A ASP A 1 131 ? 16.100  16.583  12.482  0.500 23.867 0 132 ASP A OD1 1 ? 
ATOM   1098 O  OD1 B ASP A 1 131 ? 20.374  15.233  14.237  0.500 26.490 0 132 ASP A OD1 1 ? 
ATOM   1099 O  OD2 A ASP A 1 131 ? 17.857  15.291  11.987  0.500 26.109 0 132 ASP A OD2 1 ? 
ATOM   1100 O  OD2 B ASP A 1 131 ? 20.383  17.315  14.987  0.500 23.662 0 132 ASP A OD2 1 ? 
ATOM   1101 N  N   . LYS A 1 132 ? 16.907  17.047  17.167  1.000 13.597 0 133 LYS A N   1 ? 
ATOM   1102 C  CA  . LYS A 1 132 ? 16.992  17.593  18.502  1.000 13.059 0 133 LYS A CA  1 ? 
ATOM   1103 C  C   . LYS A 1 132 ? 16.471  16.582  19.524  1.000 12.993 0 133 LYS A C   1 ? 
ATOM   1104 O  O   . LYS A 1 132 ? 17.055  16.402  20.588  1.000 12.186 0 133 LYS A O   1 ? 
ATOM   1105 C  CB  . LYS A 1 132 ? 16.162  18.869  18.638  1.000 14.832 0 133 LYS A CB  1 ? 
ATOM   1106 C  CG  . LYS A 1 132 ? 16.291  19.574  19.978  1.000 20.689 0 133 LYS A CG  1 ? 
ATOM   1107 C  CD  . LYS A 1 132 ? 17.701  20.046  20.255  1.000 25.807 0 133 LYS A CD  1 ? 
ATOM   1108 C  CE  . LYS A 1 132 ? 17.764  20.981  21.447  1.000 32.047 0 133 LYS A CE  1 ? 
ATOM   1109 N  NZ  . LYS A 1 132 ? 19.176  21.292  21.804  1.000 35.721 0 133 LYS A NZ  1 ? 
ATOM   1110 N  N   . ALA A 1 133 ? 15.379  15.880  19.183  1.000 11.281 0 134 ALA A N   1 ? 
ATOM   1111 C  CA  . ALA A 1 133 ? 14.827  14.877  20.080  1.000 10.997 0 134 ALA A CA  1 ? 
ATOM   1112 C  C   . ALA A 1 133 ? 15.851  13.781  20.390  1.000 11.745 0 134 ALA A C   1 ? 
ATOM   1113 O  O   . ALA A 1 133 ? 15.903  13.273  21.515  1.000 12.070 0 134 ALA A O   1 ? 
ATOM   1114 C  CB  . ALA A 1 133 ? 13.579  14.287  19.450  1.000 10.680 0 134 ALA A CB  1 ? 
ATOM   1115 N  N   . LEU A 1 134 ? 16.694  13.449  19.405  1.000 12.741 0 135 LEU A N   1 ? 
ATOM   1116 C  CA  . LEU A 1 134 ? 17.682  12.383  19.548  1.000 15.138 0 135 LEU A CA  1 ? 
ATOM   1117 C  C   . LEU A 1 134 ? 18.698  12.704  20.634  1.000 15.374 0 135 LEU A C   1 ? 
ATOM   1118 O  O   . LEU A 1 134 ? 19.319  11.794  21.187  1.000 18.414 0 135 LEU A O   1 ? 
ATOM   1119 C  CB  . LEU A 1 134 ? 18.310  12.205  18.154  1.000 17.603 0 135 LEU A CB  1 ? 
ATOM   1120 C  CG  . LEU A 1 134 ? 19.355  11.129  17.930  1.000 25.795 0 135 LEU A CG  1 ? 
ATOM   1121 C  CD1 . LEU A 1 134 ? 18.773  9.751   18.173  1.000 26.087 0 135 LEU A CD1 1 ? 
ATOM   1122 C  CD2 . LEU A 1 134 ? 19.889  11.263  16.509  1.000 27.689 0 135 LEU A CD2 1 ? 
ATOM   1123 N  N   . GLN A 1 135 ? 18.823  13.959  21.025  1.000 13.065 0 136 GLN A N   1 ? 
ATOM   1124 C  CA  . GLN A 1 135 ? 19.808  14.353  22.026  1.000 14.538 0 136 GLN A CA  1 ? 
ATOM   1125 C  C   . GLN A 1 135 ? 19.197  14.435  23.430  1.000 13.441 0 136 GLN A C   1 ? 
ATOM   1126 O  O   . GLN A 1 135 ? 19.879  14.903  24.352  1.000 14.386 0 136 GLN A O   1 ? 
ATOM   1127 C  CB  . GLN A 1 135 ? 20.376  15.719  21.620  1.000 19.794 0 136 GLN A CB  1 ? 
ATOM   1128 C  CG  . GLN A 1 135 ? 21.118  15.658  20.289  1.000 25.655 0 136 GLN A CG  1 ? 
ATOM   1129 C  CD  . GLN A 1 135 ? 21.384  17.041  19.735  1.000 34.207 0 136 GLN A CD  1 ? 
ATOM   1130 O  OE1 . GLN A 1 135 ? 21.911  17.920  20.421  1.000 42.518 0 136 GLN A OE1 1 ? 
ATOM   1131 N  NE2 . GLN A 1 135 ? 20.983  17.266  18.491  1.000 35.300 0 136 GLN A NE2 1 ? 
ATOM   1132 N  N   . GLN A 1 136 ? 17.947  14.012  23.613  1.000 11.399 0 137 GLN A N   1 ? 
ATOM   1133 C  CA  . GLN A 1 136 ? 17.260  14.186  24.882  1.000 11.823 0 137 GLN A CA  1 ? 
ATOM   1134 C  C   . GLN A 1 136 ? 16.949  12.835  25.481  1.000 11.891 0 137 GLN A C   1 ? 
ATOM   1135 O  O   . GLN A 1 136 ? 16.673  11.861  24.746  1.000 12.126 0 137 GLN A O   1 ? 
ATOM   1136 C  CB  . GLN A 1 136 ? 15.918  14.891  24.752  1.000 12.413 0 137 GLN A CB  1 ? 
ATOM   1137 C  CG  . GLN A 1 136 ? 15.995  16.098  23.814  1.000 13.500 0 137 GLN A CG  1 ? 
ATOM   1138 C  CD  . GLN A 1 136 ? 17.051  17.065  24.290  1.000 15.608 0 137 GLN A CD  1 ? 
ATOM   1139 O  OE1 . GLN A 1 136 ? 17.215  17.278  25.492  1.000 14.571 0 137 GLN A OE1 1 ? 
ATOM   1140 N  NE2 . GLN A 1 136 ? 17.722  17.704  23.337  1.000 17.313 0 137 GLN A NE2 1 ? 
ATOM   1141 N  N   . PRO A 1 137 ? 16.917  12.710  26.822  1.000 12.678 0 138 PRO A N   1 ? 
ATOM   1142 C  CA  . PRO A 1 137 ? 16.664  11.431  27.443  1.000 12.950 0 138 PRO A CA  1 ? 
ATOM   1143 C  C   . PRO A 1 137 ? 15.229  10.921  27.267  1.000 11.839 0 138 PRO A C   1 ? 
ATOM   1144 O  O   . PRO A 1 137 ? 14.985  9.720   27.434  1.000 12.067 0 138 PRO A O   1 ? 
ATOM   1145 C  CB  . PRO A 1 137 ? 17.018  11.687  28.915  1.000 14.257 0 138 PRO A CB  1 ? 
ATOM   1146 C  CG  . PRO A 1 137 ? 16.905  13.153  29.090  1.000 15.394 0 138 PRO A CG  1 ? 
ATOM   1147 C  CD  . PRO A 1 137 ? 17.336  13.751  27.781  1.000 13.719 0 138 PRO A CD  1 ? 
ATOM   1148 N  N   . ASP A 1 138 ? 14.290  11.823  26.942  1.000 11.411 0 139 ASP A N   1 ? 
ATOM   1149 C  CA  . ASP A 1 138 ? 12.905  11.486  26.645  1.000 10.820 0 139 ASP A CA  1 ? 
ATOM   1150 C  C   . ASP A 1 138 ? 12.531  11.947  25.238  1.000 10.678 0 139 ASP A C   1 ? 
ATOM   1151 O  O   . ASP A 1 138 ? 11.424  12.342  24.983  1.000 12.579 0 139 ASP A O   1 ? 
ATOM   1152 C  CB  . ASP A 1 138 ? 11.943  12.112  27.655  1.000 12.578 0 139 ASP A CB  1 ? 
ATOM   1153 C  CG  . ASP A 1 138 ? 12.033  13.620  27.689  1.000 14.572 0 139 ASP A CG  1 ? 
ATOM   1154 O  OD1 . ASP A 1 138 ? 13.040  14.202  27.142  1.000 14.652 0 139 ASP A OD1 1 ? 
ATOM   1155 O  OD2 . ASP A 1 138 ? 11.131  14.215  28.338  1.000 17.273 0 139 ASP A OD2 1 ? 
ATOM   1156 N  N   . GLY A 1 139 ? 13.482  11.859  24.305  1.000 9.776  0 140 GLY A N   1 ? 
ATOM   1157 C  CA  . GLY A 1 139 ? 13.250  12.356  22.971  1.000 9.289  0 140 GLY A CA  1 ? 
ATOM   1158 C  C   . GLY A 1 139 ? 12.430  11.440  22.063  1.000 8.317  0 140 GLY A C   1 ? 
ATOM   1159 O  O   . GLY A 1 139 ? 11.807  11.932  21.128  1.000 8.928  0 140 GLY A O   1 ? 
ATOM   1160 N  N   . LEU A 1 140 ? 12.525  10.123  22.286  1.000 8.765  0 141 LEU A N   1 ? 
ATOM   1161 C  CA  . LEU A 1 140 ? 11.965  9.157   21.351  1.000 8.879  0 141 LEU A CA  1 ? 
ATOM   1162 C  C   . LEU A 1 140 ? 11.112  8.152   22.103  1.000 7.988  0 141 LEU A C   1 ? 
ATOM   1163 O  O   . LEU A 1 140 ? 11.344  7.867   23.266  1.000 7.532  0 141 LEU A O   1 ? 
ATOM   1164 C  CB  . LEU A 1 140 ? 13.082  8.415   20.609  1.000 10.600 0 141 LEU A CB  1 ? 
ATOM   1165 C  CG  . LEU A 1 140 ? 14.100  9.260   19.842  1.000 13.416 0 141 LEU A CG  1 ? 
ATOM   1166 C  CD1 . LEU A 1 140 ? 15.202  8.360   19.275  1.000 15.869 0 141 LEU A CD1 1 ? 
ATOM   1167 C  CD2 . LEU A 1 140 ? 13.462  10.077  18.765  1.000 14.767 0 141 LEU A CD2 1 ? 
ATOM   1168 N  N   . ALA A 1 141 ? 10.162  7.550   21.380  1.000 8.374  0 142 ALA A N   1 ? 
ATOM   1169 C  CA  . ALA A 1 141 ? 9.406   6.416   21.883  1.000 8.183  0 142 ALA A CA  1 ? 
ATOM   1170 C  C   . ALA A 1 141 ? 9.281   5.415   20.738  1.000 7.871  0 142 ALA A C   1 ? 
ATOM   1171 O  O   . ALA A 1 141 ? 8.939   5.793   19.604  1.000 8.644  0 142 ALA A O   1 ? 
ATOM   1172 C  CB  . ALA A 1 141 ? 8.039   6.805   22.379  1.000 8.572  0 142 ALA A CB  1 ? 
ATOM   1173 N  N   . VAL A 1 142 ? 9.586   4.166   21.039  1.000 6.926  0 143 VAL A N   1 ? 
ATOM   1174 C  CA  . VAL A 1 142 ? 9.520   3.096   20.050  1.000 6.283  0 143 VAL A CA  1 ? 
ATOM   1175 C  C   . VAL A 1 142 ? 8.499   2.108   20.558  1.000 6.660  0 143 VAL A C   1 ? 
ATOM   1176 O  O   . VAL A 1 142 ? 8.614   1.615   21.680  1.000 6.602  0 143 VAL A O   1 ? 
ATOM   1177 C  CB  . VAL A 1 142 ? 10.871  2.449   19.724  1.000 6.350  0 143 VAL A CB  1 ? 
ATOM   1178 C  CG1 . VAL A 1 142 ? 10.676  1.422   18.608  1.000 6.305  0 143 VAL A CG1 1 ? 
ATOM   1179 C  CG2 . VAL A 1 142 ? 11.857  3.506   19.244  1.000 6.362  0 143 VAL A CG2 1 ? 
ATOM   1180 N  N   . LEU A 1 143 ? 7.509   1.847   19.701  1.000 6.891  0 144 LEU A N   1 ? 
ATOM   1181 C  CA  . LEU A 1 143 ? 6.494   0.836   19.938  1.000 7.670  0 144 LEU A CA  1 ? 
ATOM   1182 C  C   . LEU A 1 143 ? 7.005   -0.420  19.258  1.000 7.584  0 144 LEU A C   1 ? 
ATOM   1183 O  O   . LEU A 1 143 ? 7.188   -0.417  18.040  1.000 8.022  0 144 LEU A O   1 ? 
ATOM   1184 C  CB  . LEU A 1 143 ? 5.154   1.309   19.380  1.000 8.343  0 144 LEU A CB  1 ? 
ATOM   1185 C  CG  . LEU A 1 143 ? 3.995   0.335   19.505  1.000 9.601  0 144 LEU A CG  1 ? 
ATOM   1186 C  CD1 . LEU A 1 143 ? 3.694   -0.029  20.951  1.000 10.888 0 144 LEU A CD1 1 ? 
ATOM   1187 C  CD2 . LEU A 1 143 ? 2.757   0.934   18.861  1.000 9.469  0 144 LEU A CD2 1 ? 
ATOM   1188 N  N   . GLY A 1 144 ? 7.287   -1.468  20.049  1.000 6.960  0 145 GLY A N   1 ? 
ATOM   1189 C  CA  . GLY A 1 144 ? 7.844   -2.709  19.551  1.000 6.411  0 145 GLY A CA  1 ? 
ATOM   1190 C  C   . GLY A 1 144 ? 6.799   -3.816  19.565  1.000 6.593  0 145 GLY A C   1 ? 
ATOM   1191 O  O   . GLY A 1 144 ? 6.062   -3.958  20.545  1.000 6.587  0 145 GLY A O   1 ? 
ATOM   1192 N  N   . ILE A 1 145 ? 6.701   -4.535  18.458  1.000 5.973  0 146 ILE A N   1 ? 
ATOM   1193 C  CA  . ILE A 1 145 ? 5.713   -5.584  18.292  1.000 6.789  0 146 ILE A CA  1 ? 
ATOM   1194 C  C   . ILE A 1 145 ? 6.443   -6.830  17.781  1.000 6.287  0 146 ILE A C   1 ? 
ATOM   1195 O  O   . ILE A 1 145 ? 7.178   -6.802  16.788  1.000 6.629  0 146 ILE A O   1 ? 
ATOM   1196 C  CB  . ILE A 1 145 ? 4.595   -5.152  17.319  1.000 7.337  0 146 ILE A CB  1 ? 
ATOM   1197 C  CG1 . ILE A 1 145 ? 3.953   -3.861  17.802  1.000 7.929  0 146 ILE A CG1 1 ? 
ATOM   1198 C  CG2 . ILE A 1 145 ? 3.589   -6.265  17.095  1.000 8.694  0 146 ILE A CG2 1 ? 
ATOM   1199 C  CD1 . ILE A 1 145 ? 2.914   -3.232  16.914  1.000 8.074  0 146 ILE A CD1 1 ? 
ATOM   1200 N  N   . PHE A 1 146 ? 6.267   -7.941  18.494  1.000 6.343  0 147 PHE A N   1 ? 
ATOM   1201 C  CA  . PHE A 1 146 ? 6.857   -9.211  18.072  1.000 6.144  0 147 PHE A CA  1 ? 
ATOM   1202 C  C   . PHE A 1 146 ? 6.066   -9.855  16.943  1.000 6.667  0 147 PHE A C   1 ? 
ATOM   1203 O  O   . PHE A 1 146 ? 4.834   -9.751  16.887  1.000 8.206  0 147 PHE A O   1 ? 
ATOM   1204 C  CB  . PHE A 1 146 ? 6.856   -10.145 19.273  1.000 6.089  0 147 PHE A CB  1 ? 
ATOM   1205 C  CG  . PHE A 1 146 ? 7.734   -9.719  20.414  1.000 6.045  0 147 PHE A CG  1 ? 
ATOM   1206 C  CD1 . PHE A 1 146 ? 9.096   -9.536  20.250  1.000 6.155  0 147 PHE A CD1 1 ? 
ATOM   1207 C  CD2 . PHE A 1 146 ? 7.181   -9.424  21.634  1.000 6.308  0 147 PHE A CD2 1 ? 
ATOM   1208 C  CE1 . PHE A 1 146 ? 9.912   -9.185  21.321  1.000 6.032  0 147 PHE A CE1 1 ? 
ATOM   1209 C  CE2 . PHE A 1 146 ? 7.985   -9.073  22.701  1.000 7.447  0 147 PHE A CE2 1 ? 
ATOM   1210 C  CZ  . PHE A 1 146 ? 9.326   -8.915  22.531  1.000 6.776  0 147 PHE A CZ  1 ? 
ATOM   1211 N  N   . LEU A 1 147 ? 6.815   -10.535 16.062  1.000 6.806  0 148 LEU A N   1 ? 
ATOM   1212 C  CA  . LEU A 1 147 ? 6.232   -11.337 14.993  1.000 7.721  0 148 LEU A CA  1 ? 
ATOM   1213 C  C   . LEU A 1 147 ? 6.548   -12.819 15.244  1.000 8.281  0 148 LEU A C   1 ? 
ATOM   1214 O  O   . LEU A 1 147 ? 7.725   -13.151 15.419  1.000 8.207  0 148 LEU A O   1 ? 
ATOM   1215 C  CB  . LEU A 1 147 ? 6.845   -10.891 13.652  1.000 8.375  0 148 LEU A CB  1 ? 
ATOM   1216 C  CG  . LEU A 1 147 ? 6.240   -9.688  12.933  1.000 8.203  0 148 LEU A CG  1 ? 
ATOM   1217 C  CD1 . LEU A 1 147 ? 6.395   -8.401  13.772  1.000 9.329  0 148 LEU A CD1 1 ? 
ATOM   1218 C  CD2 . LEU A 1 147 ? 6.905   -9.539  11.576  1.000 8.387  0 148 LEU A CD2 1 ? 
ATOM   1219 N  N   . LYS A 1 148 ? 5.495   -13.652 15.190  1.000 9.599  0 149 LYS A N   1 ? 
ATOM   1220 C  CA  . LYS A 1 148 ? 5.678   -15.101 15.168  1.000 10.980 0 149 LYS A CA  1 ? 
ATOM   1221 C  C   . LYS A 1 148 ? 5.187   -15.644 13.855  1.000 11.634 0 149 LYS A C   1 ? 
ATOM   1222 O  O   . LYS A 1 148 ? 4.389   -14.997 13.188  1.000 12.181 0 149 LYS A O   1 ? 
ATOM   1223 C  CB  . LYS A 1 148 ? 4.970   -15.746 16.353  1.000 12.115 0 149 LYS A CB  1 ? 
ATOM   1224 C  CG  . LYS A 1 148 ? 3.466   -15.630 16.384  1.000 15.400 0 149 LYS A CG  1 ? 
ATOM   1225 C  CD  . LYS A 1 148 ? 2.878   -16.397 17.562  1.000 20.059 0 149 LYS A CD  1 ? 
ATOM   1226 C  CE  . LYS A 1 148 ? 1.367   -16.337 17.555  1.000 25.582 0 149 LYS A CE  1 ? 
ATOM   1227 N  NZ  . LYS A 1 148 ? 0.796   -17.087 18.695  1.000 31.669 0 149 LYS A NZ  1 ? 
ATOM   1228 N  N   . VAL A 1 149 ? 5.727   -16.796 13.463  1.000 12.514 0 150 VAL A N   1 ? 
ATOM   1229 C  CA  . VAL A 1 149 ? 5.300   -17.437 12.227  1.000 13.922 0 150 VAL A CA  1 ? 
ATOM   1230 C  C   . VAL A 1 149 ? 4.066   -18.302 12.527  1.000 15.797 0 150 VAL A C   1 ? 
ATOM   1231 O  O   . VAL A 1 149 ? 4.059   -19.171 13.402  1.000 17.441 0 150 VAL A O   1 ? 
ATOM   1232 C  CB  . VAL A 1 149 ? 6.464   -18.210 11.595  1.000 15.791 0 150 VAL A CB  1 ? 
ATOM   1233 C  CG1 . VAL A 1 149 ? 6.036   -19.071 10.381  1.000 17.067 0 150 VAL A CG1 1 ? 
ATOM   1234 C  CG2 . VAL A 1 149 ? 7.574   -17.256 11.193  1.000 16.749 0 150 VAL A CG2 1 ? 
ATOM   1235 N  N   . GLY A 1 150 ? 3.008   -18.057 11.769  1.000 14.314 0 151 GLY A N   1 ? 
ATOM   1236 C  CA  . GLY A 1 150 ? 1.804   -18.864 11.755  1.000 15.636 0 151 GLY A CA  1 ? 
ATOM   1237 C  C   . GLY A 1 150 ? 0.941   -18.412 10.576  1.000 14.981 0 151 GLY A C   1 ? 
ATOM   1238 O  O   . GLY A 1 150 ? 1.381   -18.512 9.433   1.000 16.147 0 151 GLY A O   1 ? 
ATOM   1239 N  N   A SER A 1 151 ? -0.225  -17.840 10.880  0.500 15.154 0 152 SER A N   1 ? 
ATOM   1240 N  N   B SER A 1 151 ? -0.234  -17.865 10.867  0.500 15.368 0 152 SER A N   1 ? 
ATOM   1241 C  CA  A SER A 1 151 ? -1.155  -17.310 9.883   0.500 16.100 0 152 SER A CA  1 ? 
ATOM   1242 C  CA  B SER A 1 151 ? -1.110  -17.340 9.827   0.500 16.547 0 152 SER A CA  1 ? 
ATOM   1243 C  C   A SER A 1 151 ? -0.662  -15.973 9.317   0.500 16.182 0 152 SER A C   1 ? 
ATOM   1244 C  C   B SER A 1 151 ? -0.540  -16.043 9.255   0.500 16.263 0 152 SER A C   1 ? 
ATOM   1245 O  O   A SER A 1 151 ? -0.021  -15.195 10.015  0.500 14.362 0 152 SER A O   1 ? 
ATOM   1246 O  O   B SER A 1 151 ? 0.301   -15.391 9.868   0.500 14.069 0 152 SER A O   1 ? 
ATOM   1247 C  CB  A SER A 1 151 ? -2.530  -17.167 10.470  0.500 17.892 0 152 SER A CB  1 ? 
ATOM   1248 C  CB  B SER A 1 151 ? -2.508  -17.156 10.325  0.500 18.503 0 152 SER A CB  1 ? 
ATOM   1249 O  OG  A SER A 1 151 ? -3.032  -18.413 10.944  0.500 20.032 0 152 SER A OG  1 ? 
ATOM   1250 O  OG  B SER A 1 151 ? -2.542  -16.334 11.480  0.500 21.349 0 152 SER A OG  1 ? 
ATOM   1251 N  N   . ALA A 1 152 ? -0.988  -15.682 8.048   1.000 14.908 0 153 ALA A N   1 ? 
ATOM   1252 C  CA  . ALA A 1 152 ? -0.517  -14.477 7.388   1.000 14.645 0 153 ALA A CA  1 ? 
ATOM   1253 C  C   . ALA A 1 152 ? -1.138  -13.254 8.036   1.000 13.477 0 153 ALA A C   1 ? 
ATOM   1254 O  O   . ALA A 1 152 ? -2.273  -13.283 8.522   1.000 14.363 0 153 ALA A O   1 ? 
ATOM   1255 C  CB  . ALA A 1 152 ? -0.919  -14.517 5.917   1.000 14.589 0 153 ALA A CB  1 ? 
ATOM   1256 N  N   . LYS A 1 153 ? -0.426  -12.123 7.989   1.000 13.145 0 154 LYS A N   1 ? 
ATOM   1257 C  CA  . LYS A 1 153 ? -0.948  -10.875 8.469   1.000 13.770 0 154 LYS A CA  1 ? 
ATOM   1258 C  C   . LYS A 1 153 ? -1.365  -10.056 7.255   1.000 13.817 0 154 LYS A C   1 ? 
ATOM   1259 O  O   . LYS A 1 153 ? -0.510  -9.615  6.501   1.000 13.686 0 154 LYS A O   1 ? 
ATOM   1260 C  CB  . LYS A 1 153 ? 0.117   -10.119 9.283   1.000 13.906 0 154 LYS A CB  1 ? 
ATOM   1261 C  CG  . LYS A 1 153 ? -0.392  -8.891  10.013  1.000 14.971 0 154 LYS A CG  1 ? 
ATOM   1262 C  CD  . LYS A 1 153 ? -1.358  -9.162  11.152  1.000 15.814 0 154 LYS A CD  1 ? 
ATOM   1263 C  CE  . LYS A 1 153 ? -1.616  -7.943  11.995  1.000 18.721 0 154 LYS A CE  1 ? 
ATOM   1264 N  NZ  . LYS A 1 153 ? -2.542  -8.248  13.094  1.000 23.168 0 154 LYS A NZ  1 ? 
ATOM   1265 N  N   . PRO A 1 154 ? -2.683  -9.902  6.975   1.000 14.799 0 155 PRO A N   1 ? 
ATOM   1266 C  CA  . PRO A 1 154 ? -3.086  -9.251  5.732   1.000 14.669 0 155 PRO A CA  1 ? 
ATOM   1267 C  C   . PRO A 1 154 ? -2.556  -7.837  5.602   1.000 12.908 0 155 PRO A C   1 ? 
ATOM   1268 O  O   . PRO A 1 154 ? -2.137  -7.450  4.511   1.000 16.641 0 155 PRO A O   1 ? 
ATOM   1269 C  CB  . PRO A 1 154 ? -4.629  -9.265  5.848   1.000 16.628 0 155 PRO A CB  1 ? 
ATOM   1270 C  CG  . PRO A 1 154 ? -4.928  -10.457 6.708   1.000 19.918 0 155 PRO A CG  1 ? 
ATOM   1271 C  CD  . PRO A 1 154 ? -3.826  -10.420 7.746   1.000 16.866 0 155 PRO A CD  1 ? 
ATOM   1272 N  N   . GLY A 1 155 ? -2.463  -7.121  6.707   1.000 12.567 0 156 GLY A N   1 ? 
ATOM   1273 C  CA  . GLY A 1 155 ? -2.002  -5.751  6.710   1.000 14.138 0 156 GLY A CA  1 ? 
ATOM   1274 C  C   . GLY A 1 155 ? -0.502  -5.609  6.460   1.000 16.102 0 156 GLY A C   1 ? 
ATOM   1275 O  O   . GLY A 1 155 ? -0.072  -4.497  6.208   1.000 17.951 0 156 GLY A O   1 ? 
ATOM   1276 N  N   . LEU A 1 156 ? 0.253   -6.704  6.449   1.000 13.451 0 157 LEU A N   1 ? 
ATOM   1277 C  CA  . LEU A 1 156 ? 1.670   -6.691  6.084   1.000 12.723 0 157 LEU A CA  1 ? 
ATOM   1278 C  C   . LEU A 1 156 ? 1.871   -6.952  4.607   1.000 12.447 0 157 LEU A C   1 ? 
ATOM   1279 O  O   . LEU A 1 156 ? 2.945   -6.707  4.064   1.000 11.187 0 157 LEU A O   1 ? 
ATOM   1280 C  CB  . LEU A 1 156 ? 2.404   -7.742  6.918   1.000 12.736 0 157 LEU A CB  1 ? 
ATOM   1281 C  CG  . LEU A 1 156 ? 3.903   -7.859  6.734   1.000 12.065 0 157 LEU A CG  1 ? 
ATOM   1282 C  CD1 . LEU A 1 156 ? 4.654   -6.549  6.988   1.000 12.461 0 157 LEU A CD1 1 ? 
ATOM   1283 C  CD2 . LEU A 1 156 ? 4.423   -9.011  7.601   1.000 12.456 0 157 LEU A CD2 1 ? 
ATOM   1284 N  N   . GLN A 1 157 ? 0.898   -7.549  3.906   1.000 13.607 0 158 GLN A N   1 ? 
ATOM   1285 C  CA  . GLN A 1 157 ? 1.150   -8.023  2.569   1.000 12.807 0 158 GLN A CA  1 ? 
ATOM   1286 C  C   . GLN A 1 157 ? 1.546   -6.904  1.598   1.000 11.603 0 158 GLN A C   1 ? 
ATOM   1287 O  O   . GLN A 1 157 ? 2.353   -7.144  0.746   1.000 12.031 0 158 GLN A O   1 ? 
ATOM   1288 C  CB  . GLN A 1 157 ? -0.074  -8.847  2.096   1.000 14.951 0 158 GLN A CB  1 ? 
ATOM   1289 C  CG  . GLN A 1 157 ? 0.225   -9.582  0.817   1.000 16.220 0 158 GLN A CG  1 ? 
ATOM   1290 C  CD  . GLN A 1 157 ? 1.329   -10.601 0.968   1.000 15.011 0 158 GLN A CD  1 ? 
ATOM   1291 O  OE1 . GLN A 1 157 ? 1.517   -11.202 2.024   1.000 13.503 0 158 GLN A OE1 1 ? 
ATOM   1292 N  NE2 . GLN A 1 157 ? 2.099   -10.814 -0.073  1.000 16.977 0 158 GLN A NE2 1 ? 
ATOM   1293 N  N   . LYS A 1 158 ? 1.031   -5.695  1.724   1.000 12.545 0 159 LYS A N   1 ? 
ATOM   1294 C  CA  . LYS A 1 158 ? 1.415   -4.627  0.805   1.000 14.095 0 159 LYS A CA  1 ? 
ATOM   1295 C  C   . LYS A 1 158 ? 2.908   -4.307  0.929   1.000 14.102 0 159 LYS A C   1 ? 
ATOM   1296 O  O   . LYS A 1 158 ? 3.568   -3.947  -0.042  1.000 14.138 0 159 LYS A O   1 ? 
ATOM   1297 C  CB  . LYS A 1 158 ? 0.524   -3.422  1.028   1.000 18.416 0 159 LYS A CB  1 ? 
ATOM   1298 C  CG  . LYS A 1 158 ? -0.826  -3.529  0.332   1.000 24.786 0 159 LYS A CG  1 ? 
ATOM   1299 C  CD  . LYS A 1 158 ? -1.740  -2.376  0.631   1.000 29.849 0 159 LYS A CD  1 ? 
ATOM   1300 C  CE  . LYS A 1 158 ? -3.099  -2.601  -0.002  1.000 33.645 0 159 LYS A CE  1 ? 
ATOM   1301 N  NZ  . LYS A 1 158 ? -3.923  -1.367  0.026   1.000 38.541 0 159 LYS A NZ  1 ? 
ATOM   1302 N  N   . VAL A 1 159 ? 3.455   -4.455  2.135   1.000 12.610 0 160 VAL A N   1 ? 
ATOM   1303 C  CA  . VAL A 1 159 ? 4.884   -4.267  2.332   1.000 12.278 0 160 VAL A CA  1 ? 
ATOM   1304 C  C   . VAL A 1 159 ? 5.655   -5.374  1.659   1.000 11.987 0 160 VAL A C   1 ? 
ATOM   1305 O  O   . VAL A 1 159 ? 6.575   -5.120  0.911   1.000 13.065 0 160 VAL A O   1 ? 
ATOM   1306 C  CB  . VAL A 1 159 ? 5.181   -4.257  3.837   1.000 11.996 0 160 VAL A CB  1 ? 
ATOM   1307 C  CG1 . VAL A 1 159 ? 6.656   -4.313  4.133   1.000 12.283 0 160 VAL A CG1 1 ? 
ATOM   1308 C  CG2 . VAL A 1 159 ? 4.599   -3.040  4.495   1.000 12.948 0 160 VAL A CG2 1 ? 
ATOM   1309 N  N   . VAL A 1 160 ? 5.275   -6.622  1.929   1.000 12.423 0 161 VAL A N   1 ? 
ATOM   1310 C  CA  . VAL A 1 160 ? 5.947   -7.788  1.366   1.000 13.885 0 161 VAL A CA  1 ? 
ATOM   1311 C  C   . VAL A 1 160 ? 6.020   -7.703  -0.153  1.000 14.054 0 161 VAL A C   1 ? 
ATOM   1312 O  O   . VAL A 1 160 ? 7.031   -8.040  -0.778  1.000 16.309 0 161 VAL A O   1 ? 
ATOM   1313 C  CB  . VAL A 1 160 ? 5.208   -9.068  1.855   1.000 17.204 0 161 VAL A CB  1 ? 
ATOM   1314 C  CG1 . VAL A 1 160 ? 5.539   -10.299 1.035   1.000 21.038 0 161 VAL A CG1 1 ? 
ATOM   1315 C  CG2 . VAL A 1 160 ? 5.512   -9.282  3.331   1.000 18.651 0 161 VAL A CG2 1 ? 
ATOM   1316 N  N   . ASP A 1 161 ? 4.940   -7.238  -0.745  1.000 14.246 0 162 ASP A N   1 ? 
ATOM   1317 C  CA  . ASP A 1 161 ? 4.856   -7.280  -2.206  1.000 17.955 0 162 ASP A CA  1 ? 
ATOM   1318 C  C   . ASP A 1 161 ? 5.741   -6.266  -2.922  1.000 17.375 0 162 ASP A C   1 ? 
ATOM   1319 O  O   . ASP A 1 161 ? 5.958   -6.429  -4.119  1.000 20.658 0 162 ASP A O   1 ? 
ATOM   1320 C  CB  . ASP A 1 161 ? 3.407   -7.155  -2.633  1.000 20.764 0 162 ASP A CB  1 ? 
ATOM   1321 C  CG  . ASP A 1 161 ? 2.712   -8.513  -2.544  1.000 24.287 0 162 ASP A CG  1 ? 
ATOM   1322 O  OD1 . ASP A 1 161 ? 3.402   -9.589  -2.658  1.000 26.885 0 162 ASP A OD1 1 ? 
ATOM   1323 O  OD2 . ASP A 1 161 ? 1.547   -8.497  -2.327  1.000 27.545 0 162 ASP A OD2 1 ? 
ATOM   1324 N  N   A VAL A 1 162 ? 6.222   -5.235  -2.212  0.400 15.117 0 163 VAL A N   1 ? 
ATOM   1325 N  N   B VAL A 1 162 ? 6.237   -5.237  -2.233  0.600 15.141 0 163 VAL A N   1 ? 
ATOM   1326 C  CA  A VAL A 1 162 ? 7.067   -4.213  -2.808  0.400 14.632 0 163 VAL A CA  1 ? 
ATOM   1327 C  CA  B VAL A 1 162 ? 7.093   -4.271  -2.895  0.600 15.453 0 163 VAL A CA  1 ? 
ATOM   1328 C  C   A VAL A 1 162 ? 8.552   -4.506  -2.566  0.400 13.558 0 163 VAL A C   1 ? 
ATOM   1329 C  C   B VAL A 1 162 ? 8.569   -4.511  -2.574  0.600 13.584 0 163 VAL A C   1 ? 
ATOM   1330 O  O   A VAL A 1 162 ? 9.398   -3.812  -3.123  0.400 14.341 0 163 VAL A O   1 ? 
ATOM   1331 O  O   B VAL A 1 162 ? 9.425   -3.808  -3.104  0.600 14.616 0 163 VAL A O   1 ? 
ATOM   1332 C  CB  A VAL A 1 162 ? 6.716   -2.811  -2.278  0.400 14.900 0 163 VAL A CB  1 ? 
ATOM   1333 C  CB  B VAL A 1 162 ? 6.669   -2.833  -2.566  0.600 16.748 0 163 VAL A CB  1 ? 
ATOM   1334 C  CG1 A VAL A 1 162 ? 7.367   -2.548  -0.934  0.400 14.696 0 163 VAL A CG1 1 ? 
ATOM   1335 C  CG1 B VAL A 1 162 ? 5.304   -2.515  -3.156  0.600 16.679 0 163 VAL A CG1 1 ? 
ATOM   1336 C  CG2 A VAL A 1 162 ? 7.100   -1.719  -3.271  0.400 14.387 0 163 VAL A CG2 1 ? 
ATOM   1337 C  CG2 B VAL A 1 162 ? 6.683   -2.550  -1.077  0.600 16.385 0 163 VAL A CG2 1 ? 
ATOM   1338 N  N   . LEU A 1 163 ? 8.886   -5.497  -1.722  1.000 13.750 0 164 LEU A N   1 ? 
ATOM   1339 C  CA  . LEU A 1 163 ? 10.267  -5.683  -1.294  1.000 13.384 0 164 LEU A CA  1 ? 
ATOM   1340 C  C   . LEU A 1 163 ? 11.170  -6.036  -2.486  1.000 14.795 0 164 LEU A C   1 ? 
ATOM   1341 O  O   . LEU A 1 163 ? 12.319  -5.683  -2.455  1.000 14.173 0 164 LEU A O   1 ? 
ATOM   1342 C  CB  . LEU A 1 163 ? 10.384  -6.718  -0.183  1.000 13.238 0 164 LEU A CB  1 ? 
ATOM   1343 C  CG  . LEU A 1 163 ? 9.771   -6.315  1.158   1.000 13.058 0 164 LEU A CG  1 ? 
ATOM   1344 C  CD1 . LEU A 1 163 ? 9.980   -7.431  2.168   1.000 13.567 0 164 LEU A CD1 1 ? 
ATOM   1345 C  CD2 . LEU A 1 163 ? 10.324  -5.030  1.706   1.000 12.525 0 164 LEU A CD2 1 ? 
ATOM   1346 N  N   . ASP A 1 164 ? 10.663  -6.717  -3.519  1.000 16.826 0 165 ASP A N   1 ? 
ATOM   1347 C  CA  . ASP A 1 164 ? 11.548  -7.000  -4.648  1.000 21.221 0 165 ASP A CA  1 ? 
ATOM   1348 C  C   . ASP A 1 164 ? 11.954  -5.733  -5.409  1.000 20.481 0 165 ASP A C   1 ? 
ATOM   1349 O  O   . ASP A 1 164 ? 12.932  -5.769  -6.181  1.000 24.632 0 165 ASP A O   1 ? 
ATOM   1350 C  CB  . ASP A 1 164 ? 10.943  -8.072  -5.557  1.000 28.212 0 165 ASP A CB  1 ? 
ATOM   1351 C  CG  . ASP A 1 164 ? 9.599   -7.720  -6.147  1.000 35.889 0 165 ASP A CG  1 ? 
ATOM   1352 O  OD1 . ASP A 1 164 ? 9.085   -6.593  -5.859  1.000 41.292 0 165 ASP A OD1 1 ? 
ATOM   1353 O  OD2 . ASP A 1 164 ? 9.055   -8.603  -6.879  1.000 45.234 0 165 ASP A OD2 1 ? 
ATOM   1354 N  N   . SER A 1 165 ? 11.296  -4.592  -5.159  1.000 16.627 0 166 SER A N   1 ? 
ATOM   1355 C  CA  . SER A 1 165 ? 11.733  -3.332  -5.770  1.000 17.586 0 166 SER A CA  1 ? 
ATOM   1356 C  C   . SER A 1 165 ? 12.817  -2.575  -4.978  1.000 15.735 0 166 SER A C   1 ? 
ATOM   1357 O  O   . SER A 1 165 ? 13.318  -1.533  -5.440  1.000 15.470 0 166 SER A O   1 ? 
ATOM   1358 C  CB  . SER A 1 165 ? 10.554  -2.475  -6.071  1.000 18.792 0 166 SER A CB  1 ? 
ATOM   1359 O  OG  . SER A 1 165 ? 10.042  -1.883  -4.899  1.000 20.566 0 166 SER A OG  1 ? 
ATOM   1360 N  N   . ILE A 1 166 ? 13.140  -3.048  -3.748  1.000 12.706 0 167 ILE A N   1 ? 
ATOM   1361 C  CA  . ILE A 1 166 ? 14.136  -2.419  -2.887  1.000 12.938 0 167 ILE A CA  1 ? 
ATOM   1362 C  C   . ILE A 1 166 ? 15.140  -3.450  -2.356  1.000 14.424 0 167 ILE A C   1 ? 
ATOM   1363 O  O   . ILE A 1 166 ? 15.549  -3.477  -1.174  1.000 12.937 0 167 ILE A O   1 ? 
ATOM   1364 C  CB  . ILE A 1 166 ? 13.465  -1.617  -1.759  1.000 12.294 0 167 ILE A CB  1 ? 
ATOM   1365 C  CG1 . ILE A 1 166 ? 12.638  -2.493  -0.816  1.000 13.123 0 167 ILE A CG1 1 ? 
ATOM   1366 C  CG2 . ILE A 1 166 ? 12.631  -0.492  -2.341  1.000 14.450 0 167 ILE A CG2 1 ? 
ATOM   1367 C  CD1 . ILE A 1 166 ? 12.504  -1.917  0.553   1.000 13.680 0 167 ILE A CD1 1 ? 
ATOM   1368 N  N   . LYS A 1 167 ? 15.615  -4.323  -3.234  1.000 13.837 0 168 LYS A N   1 ? 
ATOM   1369 C  CA  . LYS A 1 167 ? 16.417  -5.458  -2.846  1.000 17.020 0 168 LYS A CA  1 ? 
ATOM   1370 C  C   . LYS A 1 167 ? 17.745  -5.057  -2.189  1.000 16.858 0 168 LYS A C   1 ? 
ATOM   1371 O  O   . LYS A 1 167 ? 18.177  -5.728  -1.247  1.000 16.487 0 168 LYS A O   1 ? 
ATOM   1372 C  CB  . LYS A 1 167 ? 16.676  -6.354  -4.065  1.000 17.865 0 168 LYS A CB  1 ? 
ATOM   1373 C  CG  . LYS A 1 167 ? 17.417  -7.642  -3.718  1.000 23.018 0 168 LYS A CG  1 ? 
ATOM   1374 C  CD  . LYS A 1 167 ? 17.773  -8.458  -4.953  1.000 27.151 0 168 LYS A CD  1 ? 
ATOM   1375 C  CE  . LYS A 1 167 ? 18.108  -9.899  -4.634  1.000 34.841 0 168 LYS A CE  1 ? 
ATOM   1376 N  NZ  . LYS A 1 167 ? 18.492  -10.644 -5.864  1.000 38.295 0 168 LYS A NZ  1 ? 
ATOM   1377 N  N   . THR A 1 168 ? 18.376  -3.984  -2.683  1.000 16.137 0 169 THR A N   1 ? 
ATOM   1378 C  CA  . THR A 1 168 ? 19.736  -3.606  -2.291  1.000 15.828 0 169 THR A CA  1 ? 
ATOM   1379 C  C   . THR A 1 168 ? 19.765  -2.223  -1.654  1.000 14.572 0 169 THR A C   1 ? 
ATOM   1380 O  O   . THR A 1 168 ? 18.865  -1.411  -1.819  1.000 13.904 0 169 THR A O   1 ? 
ATOM   1381 C  CB  . THR A 1 168 ? 20.680  -3.672  -3.509  1.000 18.425 0 169 THR A CB  1 ? 
ATOM   1382 O  OG1 . THR A 1 168 ? 20.069  -2.898  -4.556  1.000 18.719 0 169 THR A OG1 1 ? 
ATOM   1383 C  CG2 . THR A 1 168 ? 20.912  -5.089  -3.964  1.000 19.294 0 169 THR A CG2 1 ? 
ATOM   1384 N  N   . GLU A 1 169 ? 20.803  -1.971  -0.833  1.000 15.534 0 170 GLU A N   1 ? 
ATOM   1385 C  CA  . GLU A 1 169 ? 20.985  -0.726  -0.126  1.000 16.733 0 170 GLU A CA  1 ? 
ATOM   1386 C  C   . GLU A 1 169 ? 20.855  0.468   -1.060  1.000 17.942 0 170 GLU A C   1 ? 
ATOM   1387 O  O   . GLU A 1 169 ? 21.525  0.435   -2.104  1.000 22.177 0 170 GLU A O   1 ? 
ATOM   1388 C  CB  . GLU A 1 169 ? 22.375  -0.720  0.528   1.000 19.648 0 170 GLU A CB  1 ? 
ATOM   1389 C  CG  . GLU A 1 169 ? 22.647  0.502   1.397   1.000 22.256 0 170 GLU A CG  1 ? 
ATOM   1390 C  CD  . GLU A 1 169 ? 23.056  1.815   0.724   1.000 28.593 0 170 GLU A CD  1 ? 
ATOM   1391 O  OE1 . GLU A 1 169 ? 23.983  1.759   -0.106  1.000 32.713 0 170 GLU A OE1 1 ? 
ATOM   1392 O  OE2 . GLU A 1 169 ? 22.521  2.918   1.095   1.000 34.560 0 170 GLU A OE2 1 ? 
ATOM   1393 N  N   . GLY A 1 170 ? 20.085  1.468   -0.629  1.000 17.105 0 171 GLY A N   1 ? 
ATOM   1394 C  CA  . GLY A 1 170 ? 19.883  2.753   -1.282  1.000 17.258 0 171 GLY A CA  1 ? 
ATOM   1395 C  C   . GLY A 1 170 ? 18.664  2.756   -2.199  1.000 17.252 0 171 GLY A C   1 ? 
ATOM   1396 O  O   . GLY A 1 170 ? 18.185  3.830   -2.567  1.000 21.142 0 171 GLY A O   1 ? 
ATOM   1397 N  N   . LYS A 1 171 ? 18.089  1.581   -2.461  1.000 12.987 0 172 LYS A N   1 ? 
ATOM   1398 C  CA  . LYS A 1 171 ? 16.874  1.553   -3.257  1.000 13.888 0 172 LYS A CA  1 ? 
ATOM   1399 C  C   . LYS A 1 171 ? 15.671  2.017   -2.439  1.000 14.843 0 172 LYS A C   1 ? 
ATOM   1400 O  O   . LYS A 1 171 ? 15.514  1.698   -1.259  1.000 13.988 0 172 LYS A O   1 ? 
ATOM   1401 C  CB  . LYS A 1 171 ? 16.636  0.182   -3.888  1.000 15.378 0 172 LYS A CB  1 ? 
ATOM   1402 C  CG  . LYS A 1 171 ? 17.723  -0.257  -4.859  1.000 18.319 0 172 LYS A CG  1 ? 
ATOM   1403 C  CD  . LYS A 1 171 ? 17.335  -1.375  -5.817  1.000 25.813 0 172 LYS A CD  1 ? 
ATOM   1404 C  CE  . LYS A 1 171 ? 16.829  -0.857  -7.157  1.000 34.529 0 172 LYS A CE  1 ? 
ATOM   1405 N  NZ  . LYS A 1 171 ? 15.850  -1.783  -7.791  1.000 37.688 0 172 LYS A NZ  1 ? 
ATOM   1406 N  N   . SER A 1 172 ? 14.816  2.798   -3.079  1.000 14.095 0 173 SER A N   1 ? 
ATOM   1407 C  CA  . SER A 1 172 ? 13.573  3.269   -2.486  1.000 13.076 0 173 SER A CA  1 ? 
ATOM   1408 C  C   . SER A 1 172 ? 12.448  3.208   -3.520  1.000 14.228 0 173 SER A C   1 ? 
ATOM   1409 O  O   . SER A 1 172 ? 12.679  3.162   -4.736  1.000 15.124 0 173 SER A O   1 ? 
ATOM   1410 C  CB  . SER A 1 172 ? 13.670  4.617   -1.893  1.000 16.628 0 173 SER A CB  1 ? 
ATOM   1411 O  OG  . SER A 1 172 ? 13.853  5.631   -2.860  1.000 18.091 0 173 SER A OG  1 ? 
ATOM   1412 N  N   . ALA A 1 173 ? 11.231  3.284   -3.012  1.000 12.808 0 174 ALA A N   1 ? 
ATOM   1413 C  CA  . ALA A 1 173 ? 10.036  3.332   -3.844  1.000 14.100 0 174 ALA A CA  1 ? 
ATOM   1414 C  C   . ALA A 1 173 ? 8.906   4.088   -3.164  1.000 14.872 0 174 ALA A C   1 ? 
ATOM   1415 O  O   . ALA A 1 173 ? 8.869   4.242   -1.942  1.000 12.545 0 174 ALA A O   1 ? 
ATOM   1416 C  CB  . ALA A 1 173 ? 9.604   1.952   -4.116  1.000 14.250 0 174 ALA A CB  1 ? 
ATOM   1417 N  N   . ASP A 1 174 ? 7.960   4.567   -3.987  1.000 15.206 0 175 ASP A N   1 ? 
ATOM   1418 C  CA  . ASP A 1 174 ? 6.777   5.201   -3.469  1.000 15.398 0 175 ASP A CA  1 ? 
ATOM   1419 C  C   . ASP A 1 174 ? 6.027   4.187   -2.622  1.000 14.081 0 175 ASP A C   1 ? 
ATOM   1420 O  O   . ASP A 1 174 ? 5.975   2.996   -2.978  1.000 17.674 0 175 ASP A O   1 ? 
ATOM   1421 C  CB  . ASP A 1 174 ? 5.876   5.734   -4.595  1.000 18.606 0 175 ASP A CB  1 ? 
ATOM   1422 C  CG  . ASP A 1 174 ? 4.615   6.429   -4.081  1.000 22.149 0 175 ASP A CG  1 ? 
ATOM   1423 O  OD1 . ASP A 1 174 ? 3.608   5.724   -3.721  1.000 24.487 0 175 ASP A OD1 1 ? 
ATOM   1424 O  OD2 . ASP A 1 174 ? 4.661   7.701   -3.996  1.000 24.836 0 175 ASP A OD2 1 ? 
ATOM   1425 N  N   . PHE A 1 175 ? 5.542   4.650   -1.458  1.000 12.601 0 176 PHE A N   1 ? 
ATOM   1426 C  CA  . PHE A 1 175 ? 4.755   3.793   -0.597  1.000 11.864 0 176 PHE A CA  1 ? 
ATOM   1427 C  C   . PHE A 1 175 ? 3.710   4.607   0.122   1.000 12.452 0 176 PHE A C   1 ? 
ATOM   1428 O  O   . PHE A 1 175 ? 3.603   4.607   1.337   1.000 15.463 0 176 PHE A O   1 ? 
ATOM   1429 C  CB  . PHE A 1 175 ? 5.667   3.011   0.360   1.000 11.362 0 176 PHE A CB  1 ? 
ATOM   1430 C  CG  . PHE A 1 175 ? 5.093   1.709   0.868   1.000 10.677 0 176 PHE A CG  1 ? 
ATOM   1431 C  CD1 . PHE A 1 175 ? 4.847   0.676   -0.012  1.000 11.954 0 176 PHE A CD1 1 ? 
ATOM   1432 C  CD2 . PHE A 1 175 ? 4.684   1.572   2.183   1.000 11.462 0 176 PHE A CD2 1 ? 
ATOM   1433 C  CE1 . PHE A 1 175 ? 4.294   -0.515  0.435   1.000 13.378 0 176 PHE A CE1 1 ? 
ATOM   1434 C  CE2 . PHE A 1 175 ? 4.093   0.396   2.636   1.000 11.101 0 176 PHE A CE2 1 ? 
ATOM   1435 C  CZ  . PHE A 1 175 ? 3.896   -0.642  1.749   1.000 12.274 0 176 PHE A CZ  1 ? 
ATOM   1436 N  N   . THR A 1 176 ? 2.827   5.243   -0.659  1.000 12.311 0 177 THR A N   1 ? 
ATOM   1437 C  CA  . THR A 1 176 ? 1.773   6.070   -0.123  1.000 13.526 0 177 THR A CA  1 ? 
ATOM   1438 C  C   . THR A 1 176 ? 0.544   5.211   0.207   1.000 10.951 0 177 THR A C   1 ? 
ATOM   1439 O  O   . THR A 1 176 ? 0.393   4.092   -0.253  1.000 12.085 0 177 THR A O   1 ? 
ATOM   1440 C  CB  . THR A 1 176 ? 1.442   7.192   -1.127  1.000 15.672 0 177 THR A CB  1 ? 
ATOM   1441 O  OG1 . THR A 1 176 ? 1.163   6.534   -2.351  1.000 17.162 0 177 THR A OG1 1 ? 
ATOM   1442 C  CG2 . THR A 1 176 ? 2.586   8.175   -1.244  1.000 18.912 0 177 THR A CG2 1 ? 
ATOM   1443 N  N   . ASN A 1 177 ? -0.293  5.777   1.085   1.000 11.134 0 178 ASN A N   1 ? 
ATOM   1444 C  CA  . ASN A 1 177 ? -1.591  5.248   1.479   1.000 11.318 0 178 ASN A CA  1 ? 
ATOM   1445 C  C   . ASN A 1 177 ? -1.467  3.886   2.185   1.000 12.437 0 178 ASN A C   1 ? 
ATOM   1446 O  O   . ASN A 1 177 ? -2.324  3.024   2.028   1.000 15.363 0 178 ASN A O   1 ? 
ATOM   1447 C  CB  . ASN A 1 177 ? -2.554  5.160   0.298   1.000 13.440 0 178 ASN A CB  1 ? 
ATOM   1448 C  CG  . ASN A 1 177 ? -2.772  6.538   -0.306  1.000 14.968 0 178 ASN A CG  1 ? 
ATOM   1449 O  OD1 . ASN A 1 177 ? -3.386  7.425   0.285   1.000 16.671 0 178 ASN A OD1 1 ? 
ATOM   1450 N  ND2 . ASN A 1 177 ? -2.191  6.761   -1.467  1.000 12.902 0 178 ASN A ND2 1 ? 
ATOM   1451 N  N   . PHE A 1 178 ? -0.372  3.685   2.929   1.000 11.574 0 179 PHE A N   1 ? 
ATOM   1452 C  CA  . PHE A 1 178 ? -0.217  2.489   3.745   1.000 10.928 0 179 PHE A CA  1 ? 
ATOM   1453 C  C   . PHE A 1 178 ? -0.764  2.809   5.122   1.000 10.734 0 179 PHE A C   1 ? 
ATOM   1454 O  O   . PHE A 1 178 ? -0.358  3.789   5.739   1.000 11.948 0 179 PHE A O   1 ? 
ATOM   1455 C  CB  . PHE A 1 178 ? 1.237   2.048   3.855   1.000 11.235 0 179 PHE A CB  1 ? 
ATOM   1456 C  CG  . PHE A 1 178 ? 1.346   0.808   4.701   1.000 11.698 0 179 PHE A CG  1 ? 
ATOM   1457 C  CD1 . PHE A 1 178 ? 1.002   -0.418  4.185   1.000 12.965 0 179 PHE A CD1 1 ? 
ATOM   1458 C  CD2 . PHE A 1 178 ? 1.714   0.910   6.020   1.000 11.212 0 179 PHE A CD2 1 ? 
ATOM   1459 C  CE1 . PHE A 1 178 ? 1.008   -1.542  4.987   1.000 12.596 0 179 PHE A CE1 1 ? 
ATOM   1460 C  CE2 . PHE A 1 178 ? 1.758   -0.225  6.800   1.000 11.255 0 179 PHE A CE2 1 ? 
ATOM   1461 C  CZ  . PHE A 1 178 ? 1.434   -1.439  6.293   1.000 11.095 0 179 PHE A CZ  1 ? 
ATOM   1462 N  N   . ASP A 1 179 ? -1.569  1.894   5.690   1.000 10.987 0 180 ASP A N   1 ? 
ATOM   1463 C  CA  . ASP A 1 179 ? -2.215  2.073   6.972   1.000 11.635 0 180 ASP A CA  1 ? 
ATOM   1464 C  C   . ASP A 1 179 ? -1.508  1.238   8.030   1.000 11.153 0 180 ASP A C   1 ? 
ATOM   1465 O  O   . ASP A 1 179 ? -1.661  0.002   8.071   1.000 11.258 0 180 ASP A O   1 ? 
ATOM   1466 C  CB  . ASP A 1 179 ? -3.678  1.635   6.901   1.000 13.038 0 180 ASP A CB  1 ? 
ATOM   1467 C  CG  . ASP A 1 179 ? -4.491  2.012   8.117   1.000 16.801 0 180 ASP A CG  1 ? 
ATOM   1468 O  OD1 . ASP A 1 179 ? -3.905  2.374   9.136   1.000 13.569 0 180 ASP A OD1 1 ? 
ATOM   1469 O  OD2 . ASP A 1 179 ? -5.719  2.091   7.959   1.000 23.591 0 180 ASP A OD2 1 ? 
ATOM   1470 N  N   . PRO A 1 180 ? -0.728  1.856   8.930   1.000 10.949 0 181 PRO A N   1 ? 
ATOM   1471 C  CA  . PRO A 1 180 ? -0.004  1.063   9.913   1.000 10.595 0 181 PRO A CA  1 ? 
ATOM   1472 C  C   . PRO A 1 180 ? -0.888  0.464   11.011  1.000 11.011 0 181 PRO A C   1 ? 
ATOM   1473 O  O   . PRO A 1 180 ? -0.444  -0.454  11.702  1.000 10.567 0 181 PRO A O   1 ? 
ATOM   1474 C  CB  . PRO A 1 180 ? 1.042   2.085   10.392  1.000 12.023 0 181 PRO A CB  1 ? 
ATOM   1475 C  CG  . PRO A 1 180 ? 0.326   3.420   10.317  1.000 11.376 0 181 PRO A CG  1 ? 
ATOM   1476 C  CD  . PRO A 1 180 ? -0.426  3.282   9.026   1.000 11.611 0 181 PRO A CD  1 ? 
ATOM   1477 N  N   . ARG A 1 181 ? -2.171  0.836   11.051  1.000 10.457 0 182 ARG A N   1 ? 
ATOM   1478 C  CA  . ARG A 1 181 ? -3.103  0.201   11.995  1.000 10.731 0 182 ARG A CA  1 ? 
ATOM   1479 C  C   . ARG A 1 181 ? -3.188  -1.289  11.682  1.000 9.950  0 182 ARG A C   1 ? 
ATOM   1480 O  O   . ARG A 1 181 ? -3.544  -2.068  12.577  1.000 10.912 0 182 ARG A O   1 ? 
ATOM   1481 C  CB  . ARG A 1 181 ? -4.467  0.890   11.926  1.000 11.439 0 182 ARG A CB  1 ? 
ATOM   1482 C  CG  . ARG A 1 181 ? -4.431  2.330   12.462  1.000 13.256 0 182 ARG A CG  1 ? 
ATOM   1483 C  CD  . ARG A 1 181 ? -5.723  3.097   12.294  1.000 14.915 0 182 ARG A CD  1 ? 
ATOM   1484 N  NE  . ARG A 1 181 ? -6.088  3.212   10.896  1.000 17.623 0 182 ARG A NE  1 ? 
ATOM   1485 C  CZ  . ARG A 1 181 ? -7.180  3.847   10.488  1.000 20.115 0 182 ARG A CZ  1 ? 
ATOM   1486 N  NH1 . ARG A 1 181 ? -8.064  4.258   11.375  1.000 21.976 0 182 ARG A NH1 1 ? 
ATOM   1487 N  NH2 . ARG A 1 181 ? -7.425  3.992   9.206   1.000 20.851 0 182 ARG A NH2 1 ? 
ATOM   1488 N  N   . GLY A 1 182 ? -2.945  -1.692  10.422  1.000 10.549 0 183 GLY A N   1 ? 
ATOM   1489 C  CA  . GLY A 1 182 ? -3.059  -3.089  10.013  1.000 10.449 0 183 GLY A CA  1 ? 
ATOM   1490 C  C   . GLY A 1 182 ? -1.939  -3.980  10.558  1.000 10.756 0 183 GLY A C   1 ? 
ATOM   1491 O  O   . GLY A 1 182 ? -1.998  -5.174  10.365  1.000 12.391 0 183 GLY A O   1 ? 
ATOM   1492 N  N   . LEU A 1 183 ? -0.949  -3.378  11.249  1.000 10.291 0 184 LEU A N   1 ? 
ATOM   1493 C  CA  . LEU A 1 183 ? 0.186   -4.109  11.799  1.000 10.527 0 184 LEU A CA  1 ? 
ATOM   1494 C  C   . LEU A 1 183 ? 0.027   -4.408  13.289  1.000 10.605 0 184 LEU A C   1 ? 
ATOM   1495 O  O   . LEU A 1 183 ? 0.925   -5.047  13.862  1.000 10.896 0 184 LEU A O   1 ? 
ATOM   1496 C  CB  . LEU A 1 183 ? 1.489   -3.339  11.550  1.000 11.151 0 184 LEU A CB  1 ? 
ATOM   1497 C  CG  . LEU A 1 183 ? 1.818   -3.192  10.056  1.000 12.129 0 184 LEU A CG  1 ? 
ATOM   1498 C  CD1 . LEU A 1 183 ? 3.059   -2.393  9.872   1.000 14.152 0 184 LEU A CD1 1 ? 
ATOM   1499 C  CD2 . LEU A 1 183 ? 1.919   -4.519  9.351   1.000 13.905 0 184 LEU A CD2 1 ? 
ATOM   1500 N  N   . LEU A 1 184 ? -1.027  -3.894  13.941  1.000 11.032 0 185 LEU A N   1 ? 
ATOM   1501 C  CA  . LEU A 1 184 ? -1.156  -3.929  15.391  1.000 11.411 0 185 LEU A CA  1 ? 
ATOM   1502 C  C   . LEU A 1 184 ? -1.897  -5.193  15.809  1.000 12.726 0 185 LEU A C   1 ? 
ATOM   1503 O  O   . LEU A 1 184 ? -2.882  -5.580  15.176  1.000 14.512 0 185 LEU A O   1 ? 
ATOM   1504 C  CB  . LEU A 1 184 ? -1.906  -2.675  15.879  1.000 11.722 0 185 LEU A CB  1 ? 
ATOM   1505 C  CG  . LEU A 1 184 ? -1.362  -1.324  15.410  1.000 14.826 0 185 LEU A CG  1 ? 
ATOM   1506 C  CD1 . LEU A 1 184 ? -2.197  -0.158  15.940  1.000 15.892 0 185 LEU A CD1 1 ? 
ATOM   1507 C  CD2 . LEU A 1 184 ? 0.085   -1.212  15.839  1.000 15.357 0 185 LEU A CD2 1 ? 
ATOM   1508 N  N   . PRO A 1 185 ? -1.548  -5.801  16.951  1.000 9.938  0 186 PRO A N   1 ? 
ATOM   1509 C  CA  . PRO A 1 185 ? -2.350  -6.886  17.520  1.000 10.418 0 186 PRO A CA  1 ? 
ATOM   1510 C  C   . PRO A 1 185 ? -3.617  -6.317  18.150  1.000 10.088 0 186 PRO A C   1 ? 
ATOM   1511 O  O   . PRO A 1 185 ? -3.781  -5.091  18.262  1.000 10.182 0 186 PRO A O   1 ? 
ATOM   1512 C  CB  . PRO A 1 185 ? -1.388  -7.519  18.531  1.000 10.523 0 186 PRO A CB  1 ? 
ATOM   1513 C  CG  . PRO A 1 185 ? -0.602  -6.328  19.013  1.000 9.630  0 186 PRO A CG  1 ? 
ATOM   1514 C  CD  . PRO A 1 185 ? -0.414  -5.437  17.787  1.000 9.584  0 186 PRO A CD  1 ? 
ATOM   1515 N  N   . GLU A 1 186 ? -4.484  -7.204  18.662  1.000 10.347 0 187 GLU A N   1 ? 
ATOM   1516 C  CA  . GLU A 1 186 ? -5.717  -6.790  19.295  1.000 11.366 0 187 GLU A CA  1 ? 
ATOM   1517 C  C   . GLU A 1 186 ? -5.481  -5.982  20.561  1.000 12.003 0 187 GLU A C   1 ? 
ATOM   1518 O  O   . GLU A 1 186 ? -6.088  -4.924  20.787  1.000 12.175 0 187 GLU A O   1 ? 
ATOM   1519 C  CB  . GLU A 1 186 ? -6.548  -8.028  19.662  1.000 14.809 0 187 GLU A CB  1 ? 
ATOM   1520 C  CG  . GLU A 1 186 ? -7.222  -8.705  18.504  1.000 16.781 0 187 GLU A CG  1 ? 
ATOM   1521 C  CD  . GLU A 1 186 ? -8.045  -9.917  18.965  1.000 18.412 0 187 GLU A CD  1 ? 
ATOM   1522 O  OE1 . GLU A 1 186 ? -8.104  -10.171 20.176  1.000 20.045 0 187 GLU A OE1 1 ? 
ATOM   1523 O  OE2 . GLU A 1 186 ? -8.568  -10.621 18.121  1.000 23.033 0 187 GLU A OE2 1 ? 
ATOM   1524 N  N   . SER A 1 187 ? -4.563  -6.487  21.407  1.000 11.334 0 188 SER A N   1 ? 
ATOM   1525 C  CA  . SER A 1 187 ? -4.314  -5.926  22.721  1.000 12.100 0 188 SER A CA  1 ? 
ATOM   1526 C  C   . SER A 1 187 ? -3.171  -4.925  22.677  1.000 12.313 0 188 SER A C   1 ? 
ATOM   1527 O  O   . SER A 1 187 ? -2.184  -5.166  21.988  1.000 11.279 0 188 SER A O   1 ? 
ATOM   1528 C  CB  . SER A 1 187 ? -3.945  -7.001  23.683  1.000 12.424 0 188 SER A CB  1 ? 
ATOM   1529 O  OG  . SER A 1 187 ? -3.717  -6.483  24.985  1.000 12.401 0 188 SER A OG  1 ? 
ATOM   1530 N  N   . LEU A 1 188 ? -3.309  -3.867  23.465  1.000 10.865 0 189 LEU A N   1 ? 
ATOM   1531 C  CA  . LEU A 1 188 ? -2.248  -2.889  23.669  1.000 12.242 0 189 LEU A CA  1 ? 
ATOM   1532 C  C   . LEU A 1 188 ? -1.576  -3.091  25.028  1.000 11.840 0 189 LEU A C   1 ? 
ATOM   1533 O  O   . LEU A 1 188 ? -0.838  -2.225  25.469  1.000 13.709 0 189 LEU A O   1 ? 
ATOM   1534 C  CB  . LEU A 1 188 ? -2.804  -1.464  23.554  1.000 14.257 0 189 LEU A CB  1 ? 
ATOM   1535 C  CG  . LEU A 1 188 ? -3.264  -1.000  22.177  1.000 15.804 0 189 LEU A CG  1 ? 
ATOM   1536 C  CD1 . LEU A 1 188 ? -3.778  0.447   22.177  1.000 17.627 0 189 LEU A CD1 1 ? 
ATOM   1537 C  CD2 . LEU A 1 188 ? -2.166  -1.179  21.129  1.000 15.903 0 189 LEU A CD2 1 ? 
ATOM   1538 N  N   . ASP A 1 189 ? -1.798  -4.219  25.708  1.000 10.745 0 190 ASP A N   1 ? 
ATOM   1539 C  CA  . ASP A 1 189 ? -1.018  -4.534  26.903  1.000 12.464 0 190 ASP A CA  1 ? 
ATOM   1540 C  C   . ASP A 1 189 ? 0.475   -4.466  26.576  1.000 11.150 0 190 ASP A C   1 ? 
ATOM   1541 O  O   . ASP A 1 189 ? 0.882   -4.953  25.524  1.000 10.354 0 190 ASP A O   1 ? 
ATOM   1542 C  CB  . ASP A 1 189 ? -1.344  -5.907  27.487  1.000 14.610 0 190 ASP A CB  1 ? 
ATOM   1543 C  CG  . ASP A 1 189 ? -2.712  -6.066  28.159  1.000 17.567 0 190 ASP A CG  1 ? 
ATOM   1544 O  OD1 . ASP A 1 189 ? -3.337  -5.092  28.398  1.000 18.826 0 190 ASP A OD1 1 ? 
ATOM   1545 O  OD2 . ASP A 1 189 ? -3.089  -7.221  28.389  1.000 22.169 0 190 ASP A OD2 1 ? 
ATOM   1546 N  N   . TYR A 1 190 ? 1.272   -3.897  27.487  1.000 10.133 0 191 TYR A N   1 ? 
ATOM   1547 C  CA  . TYR A 1 190 ? 2.669   -3.646  27.176  1.000 9.448  0 191 TYR A CA  1 ? 
ATOM   1548 C  C   . TYR A 1 190 ? 3.534   -3.693  28.418  1.000 9.645  0 191 TYR A C   1 ? 
ATOM   1549 O  O   . TYR A 1 190 ? 3.087   -3.549  29.567  1.000 9.354  0 191 TYR A O   1 ? 
ATOM   1550 C  CB  . TYR A 1 190 ? 2.853   -2.291  26.477  1.000 9.794  0 191 TYR A CB  1 ? 
ATOM   1551 C  CG  . TYR A 1 190 ? 2.457   -1.079  27.321  1.000 9.629  0 191 TYR A CG  1 ? 
ATOM   1552 C  CD1 . TYR A 1 190 ? 3.370   -0.523  28.191  1.000 10.439 0 191 TYR A CD1 1 ? 
ATOM   1553 C  CD2 . TYR A 1 190 ? 1.166   -0.525  27.295  1.000 10.087 0 191 TYR A CD2 1 ? 
ATOM   1554 C  CE1 . TYR A 1 190 ? 3.044   0.558   28.981  1.000 11.268 0 191 TYR A CE1 1 ? 
ATOM   1555 C  CE2 . TYR A 1 190 ? 0.824   0.558   28.079  1.000 10.312 0 191 TYR A CE2 1 ? 
ATOM   1556 C  CZ  . TYR A 1 190 ? 1.775   1.103   28.936  1.000 10.704 0 191 TYR A CZ  1 ? 
ATOM   1557 O  OH  . TYR A 1 190 ? 1.377   2.136   29.764  1.000 13.040 0 191 TYR A OH  1 ? 
ATOM   1558 N  N   . TRP A 1 191 ? 4.835   -3.824  28.117  1.000 8.506  0 192 TRP A N   1 ? 
ATOM   1559 C  CA  . TRP A 1 191 ? 5.911   -3.541  29.024  1.000 8.051  0 192 TRP A CA  1 ? 
ATOM   1560 C  C   . TRP A 1 191 ? 6.600   -2.243  28.601  1.000 8.162  0 192 TRP A C   1 ? 
ATOM   1561 O  O   . TRP A 1 191 ? 6.702   -1.972  27.393  1.000 8.799  0 192 TRP A O   1 ? 
ATOM   1562 C  CB  . TRP A 1 191 ? 6.928   -4.679  29.033  1.000 8.259  0 192 TRP A CB  1 ? 
ATOM   1563 C  CG  . TRP A 1 191 ? 6.396   -6.006  29.480  1.000 8.644  0 192 TRP A CG  1 ? 
ATOM   1564 C  CD1 . TRP A 1 191 ? 6.157   -6.435  30.751  1.000 9.822  0 192 TRP A CD1 1 ? 
ATOM   1565 C  CD2 . TRP A 1 191 ? 6.118   -7.153  28.642  1.000 9.377  0 192 TRP A CD2 1 ? 
ATOM   1566 N  NE1 . TRP A 1 191 ? 5.709   -7.729  30.744  1.000 11.079 0 192 TRP A NE1 1 ? 
ATOM   1567 C  CE2 . TRP A 1 191 ? 5.693   -8.215  29.470  1.000 10.520 0 192 TRP A CE2 1 ? 
ATOM   1568 C  CE3 . TRP A 1 191 ? 6.213   -7.377  27.267  1.000 9.547  0 192 TRP A CE3 1 ? 
ATOM   1569 C  CZ2 . TRP A 1 191 ? 5.353   -9.465  28.947  1.000 10.191 0 192 TRP A CZ2 1 ? 
ATOM   1570 C  CZ3 . TRP A 1 191 ? 5.894   -8.616  26.769  1.000 9.771  0 192 TRP A CZ3 1 ? 
ATOM   1571 C  CH2 . TRP A 1 191 ? 5.481   -9.632  27.599  1.000 10.537 0 192 TRP A CH2 1 ? 
ATOM   1572 N  N   . THR A 1 192 ? 7.177   -1.509  29.562  1.000 7.694  0 193 THR A N   1 ? 
ATOM   1573 C  CA  . THR A 1 192 ? 7.896   -0.284  29.244  1.000 7.867  0 193 THR A CA  1 ? 
ATOM   1574 C  C   . THR A 1 192 ? 9.133   -0.139  30.110  1.000 7.574  0 193 THR A C   1 ? 
ATOM   1575 O  O   . THR A 1 192 ? 9.152   -0.539  31.268  1.000 8.430  0 193 THR A O   1 ? 
ATOM   1576 C  CB  . THR A 1 192 ? 6.975   0.927   29.303  1.000 7.983  0 193 THR A CB  1 ? 
ATOM   1577 O  OG1 . THR A 1 192 ? 7.679   2.108   28.921  1.000 8.327  0 193 THR A OG1 1 ? 
ATOM   1578 C  CG2 . THR A 1 192 ? 6.384   1.120   30.686  1.000 8.846  0 193 THR A CG2 1 ? 
ATOM   1579 N  N   . TYR A 1 193 ? 10.172  0.440   29.522  1.000 7.469  0 194 TYR A N   1 ? 
ATOM   1580 C  CA  . TYR A 1 193 ? 11.429  0.672   30.233  1.000 8.054  0 194 TYR A CA  1 ? 
ATOM   1581 C  C   . TYR A 1 193 ? 12.202  1.762   29.469  1.000 7.853  0 194 TYR A C   1 ? 
ATOM   1582 O  O   . TYR A 1 193 ? 11.965  2.002   28.276  1.000 7.456  0 194 TYR A O   1 ? 
ATOM   1583 C  CB  . TYR A 1 193 ? 12.262  -0.605  30.433  1.000 7.899  0 194 TYR A CB  1 ? 
ATOM   1584 C  CG  . TYR A 1 193 ? 12.977  -1.031  29.163  1.000 7.255  0 194 TYR A CG  1 ? 
ATOM   1585 C  CD1 . TYR A 1 193 ? 12.304  -1.750  28.168  1.000 7.310  0 194 TYR A CD1 1 ? 
ATOM   1586 C  CD2 . TYR A 1 193 ? 14.310  -0.672  28.939  1.000 7.105  0 194 TYR A CD2 1 ? 
ATOM   1587 C  CE1 . TYR A 1 193 ? 12.924  -2.081  26.982  1.000 6.709  0 194 TYR A CE1 1 ? 
ATOM   1588 C  CE2 . TYR A 1 193 ? 14.934  -0.986  27.735  1.000 7.047  0 194 TYR A CE2 1 ? 
ATOM   1589 C  CZ  . TYR A 1 193 ? 14.243  -1.700  26.769  1.000 6.616  0 194 TYR A CZ  1 ? 
ATOM   1590 O  OH  . TYR A 1 193 ? 14.905  -1.969  25.607  1.000 7.322  0 194 TYR A OH  1 ? 
ATOM   1591 N  N   . PRO A 1 194 ? 13.127  2.504   30.132  1.000 7.938  0 195 PRO A N   1 ? 
ATOM   1592 C  CA  . PRO A 1 194 ? 13.986  3.485   29.484  1.000 7.998  0 195 PRO A CA  1 ? 
ATOM   1593 C  C   . PRO A 1 194 ? 15.197  2.813   28.845  1.000 7.800  0 195 PRO A C   1 ? 
ATOM   1594 O  O   . PRO A 1 194 ? 15.906  2.074   29.531  1.000 7.424  0 195 PRO A O   1 ? 
ATOM   1595 C  CB  . PRO A 1 194 ? 14.395  4.403   30.646  1.000 8.300  0 195 PRO A CB  1 ? 
ATOM   1596 C  CG  . PRO A 1 194 ? 14.358  3.500   31.853  1.000 8.905  0 195 PRO A CG  1 ? 
ATOM   1597 C  CD  . PRO A 1 194 ? 13.245  2.514   31.606  1.000 8.900  0 195 PRO A CD  1 ? 
ATOM   1598 N  N   . GLY A 1 195 ? 15.409  3.081   27.560  1.000 7.139  0 196 GLY A N   1 ? 
ATOM   1599 C  CA  . GLY A 1 195 ? 16.507  2.454   26.845  1.000 7.094  0 196 GLY A CA  1 ? 
ATOM   1600 C  C   . GLY A 1 195 ? 17.075  3.330   25.749  1.000 7.503  0 196 GLY A C   1 ? 
ATOM   1601 O  O   . GLY A 1 195 ? 17.150  4.553   25.886  1.000 7.599  0 196 GLY A O   1 ? 
ATOM   1602 N  N   . SER A 1 196 ? 17.458  2.696   24.642  1.000 6.708  0 197 SER A N   1 ? 
ATOM   1603 C  CA  . SER A 1 196 ? 18.269  3.344   23.628  1.000 7.163  0 197 SER A CA  1 ? 
ATOM   1604 C  C   . SER A 1 196 ? 17.799  2.936   22.240  1.000 7.309  0 197 SER A C   1 ? 
ATOM   1605 O  O   . SER A 1 196 ? 17.063  1.954   22.092  1.000 7.525  0 197 SER A O   1 ? 
ATOM   1606 C  CB  . SER A 1 196 ? 19.736  2.996   23.785  1.000 7.220  0 197 SER A CB  1 ? 
ATOM   1607 O  OG  . SER A 1 196 ? 19.985  1.648   23.366  1.000 6.844  0 197 SER A OG  1 ? 
ATOM   1608 N  N   . LEU A 1 197 ? 18.377  3.581   21.216  1.000 7.253  0 198 LEU A N   1 ? 
ATOM   1609 C  CA  . LEU A 1 197 ? 18.318  3.014   19.873  1.000 7.963  0 198 LEU A CA  1 ? 
ATOM   1610 C  C   . LEU A 1 197 ? 19.074  1.689   19.921  1.000 7.739  0 198 LEU A C   1 ? 
ATOM   1611 O  O   . LEU A 1 197 ? 20.073  1.569   20.636  1.000 7.575  0 198 LEU A O   1 ? 
ATOM   1612 C  CB  . LEU A 1 197 ? 18.954  3.979   18.869  1.000 10.017 0 198 LEU A CB  1 ? 
ATOM   1613 C  CG  . LEU A 1 197 ? 18.237  5.307   18.684  1.000 11.745 0 198 LEU A CG  1 ? 
ATOM   1614 C  CD1 . LEU A 1 197 ? 19.047  6.155   17.731  1.000 14.105 0 198 LEU A CD1 1 ? 
ATOM   1615 C  CD2 . LEU A 1 197 ? 16.850  5.106   18.126  1.000 11.907 0 198 LEU A CD2 1 ? 
ATOM   1616 N  N   . THR A 1 198 ? 18.676  0.740   19.059  1.000 7.781  0 199 THR A N   1 ? 
ATOM   1617 C  CA  . THR A 1 198 ? 19.350  -0.557  18.999  1.000 8.249  0 199 THR A CA  1 ? 
ATOM   1618 C  C   . THR A 1 198 ? 20.359  -0.630  17.844  1.000 8.006  0 199 THR A C   1 ? 
ATOM   1619 O  O   . THR A 1 198 ? 20.982  -1.669  17.663  1.000 9.029  0 199 THR A O   1 ? 
ATOM   1620 C  CB  . THR A 1 198 ? 18.367  -1.718  18.896  1.000 7.780  0 199 THR A CB  1 ? 
ATOM   1621 O  OG1 . THR A 1 198 ? 17.727  -1.657  17.620  1.000 7.801  0 199 THR A OG1 1 ? 
ATOM   1622 C  CG2 . THR A 1 198 ? 17.354  -1.729  20.018  1.000 8.409  0 199 THR A CG2 1 ? 
ATOM   1623 N  N   . THR A 1 199 ? 20.486  0.474   17.117  1.000 8.958  0 200 THR A N   1 ? 
ATOM   1624 C  CA  . THR A 1 199 ? 21.519  0.622   16.098  1.000 9.815  0 200 THR A CA  1 ? 
ATOM   1625 C  C   . THR A 1 199 ? 22.332  1.861   16.418  1.000 10.093 0 200 THR A C   1 ? 
ATOM   1626 O  O   . THR A 1 199 ? 21.825  2.805   17.037  1.000 9.825  0 200 THR A O   1 ? 
ATOM   1627 C  CB  . THR A 1 199 ? 20.961  0.782   14.689  1.000 12.301 0 200 THR A CB  1 ? 
ATOM   1628 O  OG1 . THR A 1 199 ? 20.145  1.953   14.657  1.000 14.624 0 200 THR A OG1 1 ? 
ATOM   1629 C  CG2 . THR A 1 199 ? 20.164  -0.409  14.244  1.000 11.377 0 200 THR A CG2 1 ? 
ATOM   1630 N  N   . PRO A 1 200 ? 23.614  1.917   15.981  1.000 10.118 0 201 PRO A N   1 ? 
ATOM   1631 C  CA  . PRO A 1 200 ? 24.330  3.176   16.044  1.000 10.281 0 201 PRO A CA  1 ? 
ATOM   1632 C  C   . PRO A 1 200 ? 23.446  4.327   15.606  1.000 11.047 0 201 PRO A C   1 ? 
ATOM   1633 O  O   . PRO A 1 200 ? 22.748  4.208   14.566  1.000 12.787 0 201 PRO A O   1 ? 
ATOM   1634 C  CB  . PRO A 1 200 ? 25.537  2.917   15.118  1.000 10.024 0 201 PRO A CB  1 ? 
ATOM   1635 C  CG  . PRO A 1 200 ? 25.772  1.447   15.264  1.000 9.402  0 201 PRO A CG  1 ? 
ATOM   1636 C  CD  . PRO A 1 200 ? 24.380  0.830   15.382  1.000 9.851  0 201 PRO A CD  1 ? 
ATOM   1637 N  N   . PRO A 1 201 ? 23.460  5.498   16.273  1.000 11.866 0 202 PRO A N   1 ? 
ATOM   1638 C  CA  . PRO A 1 201 ? 24.396  5.859   17.341  1.000 12.037 0 202 PRO A CA  1 ? 
ATOM   1639 C  C   . PRO A 1 201 ? 24.065  5.393   18.760  1.000 10.544 0 202 PRO A C   1 ? 
ATOM   1640 O  O   . PRO A 1 201 ? 24.721  5.813   19.702  1.000 12.257 0 202 PRO A O   1 ? 
ATOM   1641 C  CB  . PRO A 1 201 ? 24.352  7.399   17.275  1.000 13.859 0 202 PRO A CB  1 ? 
ATOM   1642 C  CG  . PRO A 1 201 ? 22.933  7.708   16.904  1.000 14.895 0 202 PRO A CG  1 ? 
ATOM   1643 C  CD  . PRO A 1 201 ? 22.624  6.646   15.887  1.000 13.516 0 202 PRO A CD  1 ? 
ATOM   1644 N  N   . LEU A 1 202 ? 23.067  4.521   18.914  1.000 9.309  0 203 LEU A N   1 ? 
ATOM   1645 C  CA  . LEU A 1 202 ? 22.771  3.855   20.184  1.000 8.930  0 203 LEU A CA  1 ? 
ATOM   1646 C  C   . LEU A 1 202 ? 22.379  4.897   21.239  1.000 9.069  0 203 LEU A C   1 ? 
ATOM   1647 O  O   . LEU A 1 202 ? 22.571  4.682   22.425  1.000 9.260  0 203 LEU A O   1 ? 
ATOM   1648 C  CB  . LEU A 1 202 ? 23.938  2.981   20.640  1.000 9.489  0 203 LEU A CB  1 ? 
ATOM   1649 C  CG  . LEU A 1 202 ? 24.339  1.872   19.667  1.000 9.085  0 203 LEU A CG  1 ? 
ATOM   1650 C  CD1 . LEU A 1 202 ? 25.670  1.273   20.099  1.000 9.274  0 203 LEU A CD1 1 ? 
ATOM   1651 C  CD2 . LEU A 1 202 ? 23.259  0.749   19.546  1.000 9.376  0 203 LEU A CD2 1 ? 
ATOM   1652 N  N   . ALA A 1 203 ? 21.733  5.970   20.775  1.000 10.074 0 204 ALA A N   1 ? 
ATOM   1653 C  CA  . ALA A 1 203 ? 21.415  7.105   21.651  1.000 10.008 0 204 ALA A CA  1 ? 
ATOM   1654 C  C   . ALA A 1 203 ? 20.458  6.684   22.764  1.000 9.980  0 204 ALA A C   1 ? 
ATOM   1655 O  O   . ALA A 1 203 ? 19.457  6.019   22.503  1.000 9.597  0 204 ALA A O   1 ? 
ATOM   1656 C  CB  . ALA A 1 203 ? 20.830  8.218   20.829  1.000 10.686 0 204 ALA A CB  1 ? 
ATOM   1657 N  N   . GLU A 1 204 ? 20.740  7.125   23.988  1.000 9.953  0 205 GLU A N   1 ? 
ATOM   1658 C  CA  . GLU A 1 204 ? 20.013  6.760   25.193  1.000 9.667  0 205 GLU A CA  1 ? 
ATOM   1659 C  C   . GLU A 1 204 ? 18.866  7.709   25.447  1.000 10.107 0 205 GLU A C   1 ? 
ATOM   1660 O  O   . GLU A 1 204 ? 18.791  8.372   26.498  1.000 11.084 0 205 GLU A O   1 ? 
ATOM   1661 C  CB  . GLU A 1 204 ? 20.960  6.623   26.389  1.000 10.130 0 205 GLU A CB  1 ? 
ATOM   1662 C  CG  . GLU A 1 204 ? 21.830  5.371   26.249  1.000 10.684 0 205 GLU A CG  1 ? 
ATOM   1663 C  CD  . GLU A 1 204 ? 22.784  5.050   27.385  1.000 11.536 0 205 GLU A CD  1 ? 
ATOM   1664 O  OE1 . GLU A 1 204 ? 23.134  6.013   28.145  1.000 16.030 0 205 GLU A OE1 1 ? 
ATOM   1665 O  OE2 . GLU A 1 204 ? 23.118  3.876   27.570  1.000 12.321 0 205 GLU A OE2 1 ? 
ATOM   1666 N  N   . GLY A 1 205 ? 17.920  7.733   24.500  1.000 10.027 0 206 GLY A N   1 ? 
ATOM   1667 C  CA  . GLY A 1 205 ? 16.807  8.665   24.594  1.000 11.316 0 206 GLY A CA  1 ? 
ATOM   1668 C  C   . GLY A 1 205 ? 15.457  8.067   24.213  1.000 9.460  0 206 GLY A C   1 ? 
ATOM   1669 O  O   . GLY A 1 205 ? 14.560  8.772   23.783  1.000 10.530 0 206 GLY A O   1 ? 
ATOM   1670 N  N   . VAL A 1 206 ? 15.341  6.737   24.368  1.000 8.967  0 207 VAL A N   1 ? 
ATOM   1671 C  CA  . VAL A 1 206 ? 14.147  6.029   23.934  1.000 8.534  0 207 VAL A CA  1 ? 
ATOM   1672 C  C   . VAL A 1 206 ? 13.352  5.526   25.131  1.000 7.935  0 207 VAL A C   1 ? 
ATOM   1673 O  O   . VAL A 1 206 ? 13.876  4.811   25.998  1.000 8.488  0 207 VAL A O   1 ? 
ATOM   1674 C  CB  . VAL A 1 206 ? 14.494  4.836   23.021  1.000 8.595  0 207 VAL A CB  1 ? 
ATOM   1675 C  CG1 . VAL A 1 206 ? 13.210  4.104   22.615  1.000 8.684  0 207 VAL A CG1 1 ? 
ATOM   1676 C  CG2 . VAL A 1 206 ? 15.252  5.259   21.776  1.000 9.761  0 207 VAL A CG2 1 ? 
ATOM   1677 N  N   . THR A 1 207 ? 12.057  5.845   25.173  1.000 7.365  0 208 THR A N   1 ? 
ATOM   1678 C  CA  . THR A 1 207 ? 11.092  5.142   25.985  1.000 7.595  0 208 THR A CA  1 ? 
ATOM   1679 C  C   . THR A 1 207 ? 10.600  3.982   25.137  1.000 7.128  0 208 THR A C   1 ? 
ATOM   1680 O  O   . THR A 1 207 ? 9.952   4.191   24.123  1.000 7.589  0 208 THR A O   1 ? 
ATOM   1681 C  CB  . THR A 1 207 ? 9.922   6.029   26.448  1.000 8.558  0 208 THR A CB  1 ? 
ATOM   1682 O  OG1 . THR A 1 207 ? 10.416  7.128   27.196  1.000 9.119  0 208 THR A OG1 1 ? 
ATOM   1683 C  CG2 . THR A 1 207 ? 8.942   5.289   27.347  1.000 8.594  0 208 THR A CG2 1 ? 
ATOM   1684 N  N   . TRP A 1 208 ? 10.861  2.778   25.613  1.000 6.332  0 209 TRP A N   1 ? 
ATOM   1685 C  CA  . TRP A 1 208 ? 10.427  1.563   24.924  1.000 6.214  0 209 TRP A CA  1 ? 
ATOM   1686 C  C   . TRP A 1 208 ? 9.056   1.163   25.445  1.000 6.936  0 209 TRP A C   1 ? 
ATOM   1687 O  O   . TRP A 1 208 ? 8.826   1.113   26.647  1.000 7.605  0 209 TRP A O   1 ? 
ATOM   1688 C  CB  . TRP A 1 208 ? 11.407  0.384   25.122  1.000 6.416  0 209 TRP A CB  1 ? 
ATOM   1689 C  CG  . TRP A 1 208 ? 12.545  0.483   24.148  1.000 6.032  0 209 TRP A CG  1 ? 
ATOM   1690 C  CD1 . TRP A 1 208 ? 13.782  1.042   24.335  1.000 6.320  0 209 TRP A CD1 1 ? 
ATOM   1691 C  CD2 . TRP A 1 208 ? 12.518  0.048   22.793  1.000 6.101  0 209 TRP A CD2 1 ? 
ATOM   1692 N  NE1 . TRP A 1 208 ? 14.485  1.031   23.162  1.000 6.862  0 209 TRP A NE1 1 ? 
ATOM   1693 C  CE2 . TRP A 1 208 ? 13.728  0.406   22.211  1.000 6.271  0 209 TRP A CE2 1 ? 
ATOM   1694 C  CE3 . TRP A 1 208 ? 11.562  -0.613  22.016  1.000 6.570  0 209 TRP A CE3 1 ? 
ATOM   1695 C  CZ2 . TRP A 1 208 ? 14.000  0.115   20.882  1.000 6.617  0 209 TRP A CZ2 1 ? 
ATOM   1696 C  CZ3 . TRP A 1 208 ? 11.836  -0.889  20.714  1.000 6.166  0 209 TRP A CZ3 1 ? 
ATOM   1697 C  CH2 . TRP A 1 208 ? 13.041  -0.536  20.157  1.000 6.144  0 209 TRP A CH2 1 ? 
ATOM   1698 N  N   . ILE A 1 209 ? 8.186   0.809   24.505  1.000 6.460  0 210 ILE A N   1 ? 
ATOM   1699 C  CA  . ILE A 1 209 ? 6.867   0.290   24.776  1.000 6.944  0 210 ILE A CA  1 ? 
ATOM   1700 C  C   . ILE A 1 209 ? 6.755   -0.990  23.964  1.000 6.405  0 210 ILE A C   1 ? 
ATOM   1701 O  O   . ILE A 1 209 ? 6.626   -0.885  22.753  1.000 6.678  0 210 ILE A O   1 ? 
ATOM   1702 C  CB  . ILE A 1 209 ? 5.761   1.302   24.423  1.000 7.729  0 210 ILE A CB  1 ? 
ATOM   1703 C  CG1 . ILE A 1 209 ? 5.960   2.594   25.216  1.000 9.442  0 210 ILE A CG1 1 ? 
ATOM   1704 C  CG2 . ILE A 1 209 ? 4.370   0.689   24.637  1.000 8.472  0 210 ILE A CG2 1 ? 
ATOM   1705 C  CD1 . ILE A 1 209 ? 5.114   3.755   24.796  1.000 10.768 0 210 ILE A CD1 1 ? 
ATOM   1706 N  N   . VAL A 1 210 ? 6.778   -2.165  24.590  1.000 6.188  0 211 VAL A N   1 ? 
ATOM   1707 C  CA  . VAL A 1 210 ? 6.850   -3.430  23.894  1.000 6.761  0 211 VAL A CA  1 ? 
ATOM   1708 C  C   . VAL A 1 210 ? 5.551   -4.195  24.146  1.000 7.150  0 211 VAL A C   1 ? 
ATOM   1709 O  O   . VAL A 1 210 ? 5.239   -4.442  25.300  1.000 7.492  0 211 VAL A O   1 ? 
ATOM   1710 C  CB  . VAL A 1 210 ? 8.018   -4.271  24.382  1.000 6.991  0 211 VAL A CB  1 ? 
ATOM   1711 C  CG1 . VAL A 1 210 ? 8.019   -5.654  23.718  1.000 7.512  0 211 VAL A CG1 1 ? 
ATOM   1712 C  CG2 . VAL A 1 210 ? 9.334   -3.585  24.101  1.000 7.286  0 211 VAL A CG2 1 ? 
ATOM   1713 N  N   . LEU A 1 211 ? 4.788   -4.469  23.092  1.000 7.914  0 212 LEU A N   1 ? 
ATOM   1714 C  CA  . LEU A 1 211 ? 3.473   -5.077  23.305  1.000 8.428  0 212 LEU A CA  1 ? 
ATOM   1715 C  C   . LEU A 1 211 ? 3.633   -6.537  23.678  1.000 8.471  0 212 LEU A C   1 ? 
ATOM   1716 O  O   . LEU A 1 211 ? 4.468   -7.256  23.147  1.000 8.248  0 212 LEU A O   1 ? 
ATOM   1717 C  CB  . LEU A 1 211 ? 2.637   -4.954  22.031  1.000 8.534  0 212 LEU A CB  1 ? 
ATOM   1718 C  CG  . LEU A 1 211 ? 2.280   -3.534  21.586  1.000 8.932  0 212 LEU A CG  1 ? 
ATOM   1719 C  CD1 . LEU A 1 211 ? 1.247   -3.583  20.464  1.000 9.196  0 212 LEU A CD1 1 ? 
ATOM   1720 C  CD2 . LEU A 1 211 ? 1.779   -2.672  22.747  1.000 9.763  0 212 LEU A CD2 1 ? 
ATOM   1721 N  N   A LYS A 1 212 ? 2.774   -7.002  24.592  0.500 8.984  0 213 LYS A N   1 ? 
ATOM   1722 N  N   B LYS A 1 212 ? 2.766   -6.979  24.592  0.500 9.136  0 213 LYS A N   1 ? 
ATOM   1723 C  CA  A LYS A 1 212 ? 2.838   -8.398  25.005  0.500 10.075 0 213 LYS A CA  1 ? 
ATOM   1724 C  CA  B LYS A 1 212 ? 2.756   -8.358  25.056  0.500 10.450 0 213 LYS A CA  1 ? 
ATOM   1725 C  C   A LYS A 1 212 ? 2.353   -9.350  23.917  0.500 9.829  0 213 LYS A C   1 ? 
ATOM   1726 C  C   B LYS A 1 212 ? 2.327   -9.336  23.961  0.500 10.015 0 213 LYS A C   1 ? 
ATOM   1727 O  O   A LYS A 1 212 ? 2.879   -10.459 23.760  0.500 10.960 0 213 LYS A O   1 ? 
ATOM   1728 O  O   B LYS A 1 212 ? 2.864   -10.441 23.830  0.500 11.350 0 213 LYS A O   1 ? 
ATOM   1729 C  CB  A LYS A 1 212 ? 1.992   -8.667  26.252  0.500 11.897 0 213 LYS A CB  1 ? 
ATOM   1730 C  CB  B LYS A 1 212 ? 1.780   -8.433  26.236  0.500 12.418 0 213 LYS A CB  1 ? 
ATOM   1731 C  CG  A LYS A 1 212 ? 1.911   -10.164 26.595  0.500 14.440 0 213 LYS A CG  1 ? 
ATOM   1732 C  CG  B LYS A 1 212 ? 1.749   -9.775  26.966  0.500 16.291 0 213 LYS A CG  1 ? 
ATOM   1733 C  CD  A LYS A 1 212 ? 1.615   -10.474 28.051  0.500 17.054 0 213 LYS A CD  1 ? 
ATOM   1734 C  CD  B LYS A 1 212 ? 0.364   -10.248 27.431  0.500 18.265 0 213 LYS A CD  1 ? 
ATOM   1735 C  CE  A LYS A 1 212 ? 1.350   -11.947 28.290  0.500 19.014 0 213 LYS A CE  1 ? 
ATOM   1736 C  CE  B LYS A 1 212 ? -0.783  -9.274  27.333  0.500 18.272 0 213 LYS A CE  1 ? 
ATOM   1737 N  NZ  A LYS A 1 212 ? 0.549   -12.182 29.514  0.500 22.171 0 213 LYS A NZ  1 ? 
ATOM   1738 N  NZ  B LYS A 1 212 ? -1.422  -9.285  25.987  0.500 19.026 0 213 LYS A NZ  1 ? 
ATOM   1739 N  N   . GLU A 1 213 ? 1.299   -8.954  23.197  1.000 8.694  0 214 GLU A N   1 ? 
ATOM   1740 C  CA  . GLU A 1 213 ? 0.735   -9.823  22.171  1.000 9.875  0 214 GLU A CA  1 ? 
ATOM   1741 C  C   . GLU A 1 213 ? 1.506   -9.761  20.859  1.000 9.044  0 214 GLU A C   1 ? 
ATOM   1742 O  O   . GLU A 1 213 ? 1.569   -8.679  20.279  1.000 8.889  0 214 GLU A O   1 ? 
ATOM   1743 C  CB  . GLU A 1 213 ? -0.705  -9.437  21.886  1.000 11.003 0 214 GLU A CB  1 ? 
ATOM   1744 C  CG  . GLU A 1 213 ? -1.428  -10.461 21.061  1.000 13.340 0 214 GLU A CG  1 ? 
ATOM   1745 C  CD  . GLU A 1 213 ? -2.928  -10.260 20.863  0.700 14.030 0 214 GLU A CD  1 ? 
ATOM   1746 O  OE1 . GLU A 1 213 ? -3.462  -9.230  21.290  0.700 9.160  0 214 GLU A OE1 1 ? 
ATOM   1747 O  OE2 . GLU A 1 213 ? -3.537  -11.206 20.237  0.700 19.488 0 214 GLU A OE2 1 ? 
ATOM   1748 N  N   . PRO A 1 214 ? 2.054   -10.859 20.334  1.000 9.256  0 215 PRO A N   1 ? 
ATOM   1749 C  CA  . PRO A 1 214 ? 2.735   -10.849 19.042  1.000 9.358  0 215 PRO A CA  1 ? 
ATOM   1750 C  C   . PRO A 1 214 ? 1.671   -10.811 17.961  1.000 10.162 0 215 PRO A C   1 ? 
ATOM   1751 O  O   . PRO A 1 214 ? 0.510   -11.157 18.208  1.000 12.288 0 215 PRO A O   1 ? 
ATOM   1752 C  CB  . PRO A 1 214 ? 3.500   -12.151 18.989  1.000 10.885 0 215 PRO A CB  1 ? 
ATOM   1753 C  CG  . PRO A 1 214 ? 2.677   -13.071 19.844  1.000 13.316 0 215 PRO A CG  1 ? 
ATOM   1754 C  CD  . PRO A 1 214 ? 2.153   -12.190 20.977  1.000 10.526 0 215 PRO A CD  1 ? 
ATOM   1755 N  N   . ILE A 1 215 ? 2.084   -10.361 16.768  1.000 9.496  0 216 ILE A N   1 ? 
ATOM   1756 C  CA  . ILE A 1 215 ? 1.285   -10.594 15.580  1.000 9.976  0 216 ILE A CA  1 ? 
ATOM   1757 C  C   . ILE A 1 215 ? 1.806   -11.853 14.928  1.000 10.403 0 216 ILE A C   1 ? 
ATOM   1758 O  O   . ILE A 1 215 ? 2.989   -12.202 15.054  1.000 10.331 0 216 ILE A O   1 ? 
ATOM   1759 C  CB  . ILE A 1 215 ? 1.305   -9.385  14.625  1.000 10.208 0 216 ILE A CB  1 ? 
ATOM   1760 C  CG1 . ILE A 1 215 ? 2.692   -9.013  14.108  1.000 9.532  0 216 ILE A CG1 1 ? 
ATOM   1761 C  CG2 . ILE A 1 215 ? 0.632   -8.207  15.288  1.000 10.851 0 216 ILE A CG2 1 ? 
ATOM   1762 C  CD1 . ILE A 1 215 ? 2.678   -8.035  12.922  1.000 10.407 0 216 ILE A CD1 1 ? 
ATOM   1763 N  N   A SER A 1 216 ? 0.910   -12.554 14.227  0.700 11.907 0 217 SER A N   1 ? 
ATOM   1764 N  N   B SER A 1 216 ? 0.925   -12.562 14.220  0.300 11.447 0 217 SER A N   1 ? 
ATOM   1765 C  CA  A SER A 1 216 ? 1.324   -13.686 13.398  0.700 12.562 0 217 SER A CA  1 ? 
ATOM   1766 C  CA  B SER A 1 216 ? 1.382   -13.683 13.410  0.300 12.028 0 217 SER A CA  1 ? 
ATOM   1767 C  C   A SER A 1 216 ? 1.528   -13.243 11.957  0.700 12.113 0 217 SER A C   1 ? 
ATOM   1768 C  C   B SER A 1 216 ? 1.531   -13.247 11.960  0.300 11.631 0 217 SER A C   1 ? 
ATOM   1769 O  O   A SER A 1 216 ? 0.697   -12.494 11.429  0.700 13.680 0 217 SER A O   1 ? 
ATOM   1770 O  O   B SER A 1 216 ? 0.705   -12.491 11.443  0.300 12.254 0 217 SER A O   1 ? 
ATOM   1771 C  CB  A SER A 1 216 ? 0.331   -14.846 13.447  0.700 14.478 0 217 SER A CB  1 ? 
ATOM   1772 C  CB  B SER A 1 216 ? 0.487   -14.895 13.532  0.300 13.248 0 217 SER A CB  1 ? 
ATOM   1773 O  OG  A SER A 1 216 ? 0.114   -15.303 14.777  0.700 16.728 0 217 SER A OG  1 ? 
ATOM   1774 O  OG  B SER A 1 216 ? -0.866  -14.562 13.278  0.300 15.224 0 217 SER A OG  1 ? 
ATOM   1775 N  N   . VAL A 1 217 ? 2.611   -13.726 11.338  1.000 10.486 0 218 VAL A N   1 ? 
ATOM   1776 C  CA  . VAL A 1 217 ? 2.870   -13.548 9.919   1.000 11.716 0 218 VAL A CA  1 ? 
ATOM   1777 C  C   . VAL A 1 217 ? 3.090   -14.921 9.307   1.000 12.435 0 218 VAL A C   1 ? 
ATOM   1778 O  O   . VAL A 1 217 ? 3.511   -15.839 9.999   1.000 11.728 0 218 VAL A O   1 ? 
ATOM   1779 C  CB  . VAL A 1 217 ? 4.085   -12.642 9.679   1.000 12.687 0 218 VAL A CB  1 ? 
ATOM   1780 C  CG1 . VAL A 1 217 ? 3.821   -11.270 10.284  1.000 13.253 0 218 VAL A CG1 1 ? 
ATOM   1781 C  CG2 . VAL A 1 217 ? 5.380   -13.217 10.239  1.000 12.815 0 218 VAL A CG2 1 ? 
ATOM   1782 N  N   . SER A 1 218 ? 2.945   -15.047 7.988   1.000 11.333 0 219 SER A N   1 ? 
ATOM   1783 C  CA  . SER A 1 218 ? 3.152   -16.368 7.424   1.000 12.295 0 219 SER A CA  1 ? 
ATOM   1784 C  C   . SER A 1 218 ? 4.612   -16.638 7.124   1.000 13.029 0 219 SER A C   1 ? 
ATOM   1785 O  O   . SER A 1 218 ? 5.437   -15.730 6.998   1.000 13.815 0 219 SER A O   1 ? 
ATOM   1786 C  CB  . SER A 1 218 ? 2.334   -16.563 6.229   1.000 12.819 0 219 SER A CB  1 ? 
ATOM   1787 O  OG  . SER A 1 218 ? 2.706   -15.688 5.198   1.000 13.684 0 219 SER A OG  1 ? 
ATOM   1788 N  N   A SER A 1 219 ? 4.958   -17.927 6.954   0.500 14.261 0 220 SER A N   1 ? 
ATOM   1789 N  N   B SER A 1 219 ? 4.930   -17.930 6.956   0.500 14.356 0 220 SER A N   1 ? 
ATOM   1790 C  CA  A SER A 1 219 ? 6.300   -18.294 6.544   0.500 14.976 0 220 SER A CA  1 ? 
ATOM   1791 C  CA  B SER A 1 219 ? 6.248   -18.341 6.526   0.500 15.125 0 220 SER A CA  1 ? 
ATOM   1792 C  C   A SER A 1 219 ? 6.645   -17.618 5.217   0.500 15.158 0 220 SER A C   1 ? 
ATOM   1793 C  C   B SER A 1 219 ? 6.628   -17.628 5.231   0.500 15.269 0 220 SER A C   1 ? 
ATOM   1794 O  O   A SER A 1 219 ? 7.751   -17.139 5.030   0.500 15.246 0 220 SER A O   1 ? 
ATOM   1795 O  O   B SER A 1 219 ? 7.744   -17.160 5.081   0.500 15.427 0 220 SER A O   1 ? 
ATOM   1796 C  CB  A SER A 1 219 ? 6.474   -19.812 6.486   0.500 17.257 0 220 SER A CB  1 ? 
ATOM   1797 C  CB  B SER A 1 219 ? 6.311   -19.853 6.373   0.500 17.385 0 220 SER A CB  1 ? 
ATOM   1798 O  OG  A SER A 1 219 ? 5.523   -20.400 5.623   0.500 20.176 0 220 SER A OG  1 ? 
ATOM   1799 O  OG  B SER A 1 219 ? 7.657   -20.268 6.250   0.500 20.964 0 220 SER A OG  1 ? 
ATOM   1800 N  N   . GLU A 1 220 ? 5.673   -17.507 4.298   1.000 14.727 0 221 GLU A N   1 ? 
ATOM   1801 C  CA  . GLU A 1 220 ? 5.953   -16.889 3.015   1.000 16.377 0 221 GLU A CA  1 ? 
ATOM   1802 C  C   . GLU A 1 220 ? 6.274   -15.406 3.180   1.000 13.518 0 221 GLU A C   1 ? 
ATOM   1803 O  O   . GLU A 1 220 ? 7.096   -14.879 2.436   1.000 15.942 0 221 GLU A O   1 ? 
ATOM   1804 C  CB  . GLU A 1 220 ? 4.768   -17.018 2.062   1.000 18.604 0 221 GLU A CB  1 ? 
ATOM   1805 C  CG  . GLU A 1 220 ? 4.462   -18.455 1.662   1.000 20.948 0 221 GLU A CG  1 ? 
ATOM   1806 C  CD  . GLU A 1 220 ? 3.639   -19.313 2.610   1.000 25.345 0 221 GLU A CD  1 ? 
ATOM   1807 O  OE1 . GLU A 1 220 ? 3.159   -18.830 3.640   1.000 24.891 0 221 GLU A OE1 1 ? 
ATOM   1808 O  OE2 . GLU A 1 220 ? 3.456   -20.513 2.308   1.000 31.957 0 221 GLU A OE2 1 ? 
ATOM   1809 N  N   . GLN A 1 221 ? 5.621   -14.730 4.130   1.000 13.757 0 222 GLN A N   1 ? 
ATOM   1810 C  CA  . GLN A 1 221 ? 5.872   -13.306 4.362   1.000 11.647 0 222 GLN A CA  1 ? 
ATOM   1811 C  C   . GLN A 1 221 ? 7.321   -13.110 4.858   1.000 13.199 0 222 GLN A C   1 ? 
ATOM   1812 O  O   . GLN A 1 221 ? 8.061   -12.270 4.342   1.000 12.813 0 222 GLN A O   1 ? 
ATOM   1813 C  CB  . GLN A 1 221 ? 4.806   -12.739 5.314   1.000 11.818 0 222 GLN A CB  1 ? 
ATOM   1814 C  CG  . GLN A 1 221 ? 3.439   -12.626 4.638   1.000 11.122 0 222 GLN A CG  1 ? 
ATOM   1815 C  CD  . GLN A 1 221 ? 2.378   -12.062 5.535   1.000 11.143 0 222 GLN A CD  1 ? 
ATOM   1816 O  OE1 . GLN A 1 221 ? 2.250   -12.419 6.711   1.000 11.302 0 222 GLN A OE1 1 ? 
ATOM   1817 N  NE2 . GLN A 1 221 ? 1.548   -11.201 4.987   1.000 11.119 0 222 GLN A NE2 1 ? 
ATOM   1818 N  N   A VAL A 1 222 ? 7.725   -13.839 5.894   0.700 14.317 0 223 VAL A N   1 ? 
ATOM   1819 N  N   B VAL A 1 222 ? 7.722   -13.872 5.882   0.300 13.384 0 223 VAL A N   1 ? 
ATOM   1820 C  CA  A VAL A 1 222 ? 9.062   -13.638 6.430   0.700 14.140 0 223 VAL A CA  1 ? 
ATOM   1821 C  CA  B VAL A 1 222 ? 9.052   -13.756 6.469   0.300 13.138 0 223 VAL A CA  1 ? 
ATOM   1822 C  C   A VAL A 1 222 ? 10.133  -14.133 5.447   0.700 15.629 0 223 VAL A C   1 ? 
ATOM   1823 C  C   B VAL A 1 222 ? 10.128  -14.146 5.454   0.300 14.712 0 223 VAL A C   1 ? 
ATOM   1824 O  O   A VAL A 1 222 ? 11.210  -13.550 5.382   0.700 14.855 0 223 VAL A O   1 ? 
ATOM   1825 O  O   B VAL A 1 222 ? 11.206  -13.553 5.420   0.300 14.454 0 223 VAL A O   1 ? 
ATOM   1826 C  CB  A VAL A 1 222 ? 9.222   -14.222 7.841   0.700 16.242 0 223 VAL A CB  1 ? 
ATOM   1827 C  CB  B VAL A 1 222 ? 9.167   -14.603 7.750   0.300 12.877 0 223 VAL A CB  1 ? 
ATOM   1828 C  CG1 A VAL A 1 222 ? 9.189   -15.734 7.863   0.700 17.801 0 223 VAL A CG1 1 ? 
ATOM   1829 C  CG1 B VAL A 1 222 ? 10.583  -14.617 8.289   0.300 13.052 0 223 VAL A CG1 1 ? 
ATOM   1830 C  CG2 A VAL A 1 222 ? 10.474  -13.670 8.525   0.700 16.001 0 223 VAL A CG2 1 ? 
ATOM   1831 C  CG2 B VAL A 1 222 ? 8.198   -14.109 8.809   0.300 12.818 0 223 VAL A CG2 1 ? 
ATOM   1832 N  N   . LEU A 1 223 ? 9.837   -15.156 4.626   1.000 15.846 0 224 LEU A N   1 ? 
ATOM   1833 C  CA  . LEU A 1 223 ? 10.794  -15.592 3.624   1.000 18.221 0 224 LEU A CA  1 ? 
ATOM   1834 C  C   . LEU A 1 223 ? 11.126  -14.439 2.691   1.000 17.757 0 224 LEU A C   1 ? 
ATOM   1835 O  O   . LEU A 1 223 ? 12.259  -14.313 2.240   1.000 17.657 0 224 LEU A O   1 ? 
ATOM   1836 C  CB  . LEU A 1 223 ? 10.239  -16.796 2.867   1.000 20.815 0 224 LEU A CB  1 ? 
ATOM   1837 C  CG  . LEU A 1 223 ? 10.355  -18.129 3.606   1.000 25.828 0 224 LEU A CG  1 ? 
ATOM   1838 C  CD1 . LEU A 1 223 ? 9.524   -19.206 2.910   1.000 29.316 0 224 LEU A CD1 1 ? 
ATOM   1839 C  CD2 . LEU A 1 223 ? 11.813  -18.554 3.703   1.000 27.880 0 224 LEU A CD2 1 ? 
ATOM   1840 N  N   . LYS A 1 224 ? 10.129  -13.600 2.399   1.000 16.316 0 225 LYS A N   1 ? 
ATOM   1841 C  CA  . LYS A 1 224 ? 10.363  -12.455 1.527   1.000 16.278 0 225 LYS A CA  1 ? 
ATOM   1842 C  C   . LYS A 1 224 ? 11.261  -11.402 2.188   1.000 12.502 0 225 LYS A C   1 ? 
ATOM   1843 O  O   . LYS A 1 224 ? 12.112  -10.812 1.524   1.000 13.259 0 225 LYS A O   1 ? 
ATOM   1844 C  CB  . LYS A 1 224 ? 9.029   -11.931 0.967   1.000 18.001 0 225 LYS A CB  1 ? 
ATOM   1845 C  CG  . LYS A 1 224 ? 8.450   -12.889 -0.086  1.000 22.200 0 225 LYS A CG  1 ? 
ATOM   1846 C  CD  . LYS A 1 224 ? 7.070   -12.568 -0.615  1.000 28.018 0 225 LYS A CD  1 ? 
ATOM   1847 C  CE  . LYS A 1 224 ? 6.585   -13.561 -1.656  1.000 29.466 0 225 LYS A CE  1 ? 
ATOM   1848 N  NZ  . LYS A 1 224 ? 5.204   -13.250 -2.107  1.000 32.257 0 225 LYS A NZ  1 ? 
ATOM   1849 N  N   . PHE A 1 225 ? 11.211  -11.222 3.518   1.000 10.744 0 226 PHE A N   1 ? 
ATOM   1850 C  CA  . PHE A 1 225 ? 12.179  -10.368 4.172   1.000 11.086 0 226 PHE A CA  1 ? 
ATOM   1851 C  C   . PHE A 1 225 ? 13.626  -10.845 3.982   1.000 11.397 0 226 PHE A C   1 ? 
ATOM   1852 O  O   . PHE A 1 225 ? 14.543  -10.048 3.780   1.000 11.159 0 226 PHE A O   1 ? 
ATOM   1853 C  CB  . PHE A 1 225 ? 11.992  -10.306 5.691   1.000 12.105 0 226 PHE A CB  1 ? 
ATOM   1854 C  CG  . PHE A 1 225 ? 10.790  -9.565  6.237   1.000 13.134 0 226 PHE A CG  1 ? 
ATOM   1855 C  CD1 . PHE A 1 225 ? 9.722   -9.160  5.462   1.000 14.588 0 226 PHE A CD1 1 ? 
ATOM   1856 C  CD2 . PHE A 1 225 ? 10.683  -9.398  7.606   1.000 13.941 0 226 PHE A CD2 1 ? 
ATOM   1857 C  CE1 . PHE A 1 225 ? 8.660   -8.479  6.039   1.000 13.871 0 226 PHE A CE1 1 ? 
ATOM   1858 C  CE2 . PHE A 1 225 ? 9.608   -8.745  8.188   1.000 14.650 0 226 PHE A CE2 1 ? 
ATOM   1859 C  CZ  . PHE A 1 225 ? 8.612   -8.253  7.394   1.000 14.582 0 226 PHE A CZ  1 ? 
ATOM   1860 N  N   . ARG A 1 226 ? 13.776  -12.170 4.012   1.000 12.505 0 227 ARG A N   1 ? 
ATOM   1861 C  CA  . ARG A 1 226 ? 15.101  -12.778 3.966   1.000 13.532 0 227 ARG A CA  1 ? 
ATOM   1862 C  C   . ARG A 1 226 ? 15.726  -12.792 2.566   1.000 16.545 0 227 ARG A C   1 ? 
ATOM   1863 O  O   . ARG A 1 226 ? 16.891  -13.200 2.432   1.000 16.946 0 227 ARG A O   1 ? 
ATOM   1864 C  CB  . ARG A 1 226 ? 15.037  -14.216 4.446   1.000 14.754 0 227 ARG A CB  1 ? 
ATOM   1865 C  CG  . ARG A 1 226 ? 14.561  -14.362 5.879   1.000 14.110 0 227 ARG A CG  1 ? 
ATOM   1866 C  CD  . ARG A 1 226 ? 14.677  -15.772 6.351   1.000 13.706 0 227 ARG A CD  1 ? 
ATOM   1867 N  NE  . ARG A 1 226 ? 14.178  -15.957 7.711   1.000 13.015 0 227 ARG A NE  1 ? 
ATOM   1868 C  CZ  . ARG A 1 226 ? 13.271  -16.825 8.075   1.000 16.431 0 227 ARG A CZ  1 ? 
ATOM   1869 N  NH1 . ARG A 1 226 ? 12.858  -17.765 7.221   1.000 17.789 0 227 ARG A NH1 1 ? 
ATOM   1870 N  NH2 . ARG A 1 226 ? 12.817  -16.803 9.308   1.000 17.602 0 227 ARG A NH2 1 ? 
ATOM   1871 N  N   . LYS A 1 227 ? 14.997  -12.326 1.545   1.000 15.688 0 228 LYS A N   1 ? 
ATOM   1872 C  CA  . LYS A 1 227 ? 15.568  -12.202 0.212   1.000 16.240 0 228 LYS A CA  1 ? 
ATOM   1873 C  C   . LYS A 1 227 ? 16.205  -10.831 0.011   1.000 15.186 0 228 LYS A C   1 ? 
ATOM   1874 O  O   . LYS A 1 227 ? 16.849  -10.593 -1.024  1.000 17.846 0 228 LYS A O   1 ? 
ATOM   1875 C  CB  . LYS A 1 227 ? 14.516  -12.457 -0.879  1.000 17.464 0 228 LYS A CB  1 ? 
ATOM   1876 C  CG  . LYS A 1 227 ? 13.917  -13.856 -0.910  1.000 21.558 0 228 LYS A CG  1 ? 
ATOM   1877 C  CD  . LYS A 1 227 ? 12.909  -14.085 -2.030  1.000 27.688 0 228 LYS A CD  1 ? 
ATOM   1878 C  CE  . LYS A 1 227 ? 13.554  -14.152 -3.399  1.000 33.580 0 228 LYS A CE  1 ? 
ATOM   1879 N  NZ  . LYS A 1 227 ? 12.584  -14.501 -4.461  1.000 37.615 0 228 LYS A NZ  1 ? 
ATOM   1880 N  N   . LEU A 1 228 ? 16.004  -9.852  0.936   1.000 13.233 0 229 LEU A N   1 ? 
ATOM   1881 C  CA  . LEU A 1 228 ? 16.673  -8.572  0.839   1.000 12.185 0 229 LEU A CA  1 ? 
ATOM   1882 C  C   . LEU A 1 228 ? 18.183  -8.734  0.977   1.000 13.365 0 229 LEU A C   1 ? 
ATOM   1883 O  O   . LEU A 1 228 ? 18.661  -9.741  1.486   1.000 14.499 0 229 LEU A O   1 ? 
ATOM   1884 C  CB  . LEU A 1 228 ? 16.143  -7.600  1.910   1.000 11.969 0 229 LEU A CB  1 ? 
ATOM   1885 C  CG  . LEU A 1 228 ? 14.684  -7.199  1.714   1.000 11.368 0 229 LEU A CG  1 ? 
ATOM   1886 C  CD1 . LEU A 1 228 ? 14.138  -6.596  3.007   1.000 11.741 0 229 LEU A CD1 1 ? 
ATOM   1887 C  CD2 . LEU A 1 228 ? 14.488  -6.210  0.574   1.000 12.443 0 229 LEU A CD2 1 ? 
ATOM   1888 N  N   . ASN A 1 229 ? 18.906  -7.686  0.611   1.000 15.052 0 230 ASN A N   1 ? 
ATOM   1889 C  CA  . ASN A 1 229 ? 20.360  -7.679  0.675   1.000 16.528 0 230 ASN A CA  1 ? 
ATOM   1890 C  C   . ASN A 1 229 ? 20.865  -6.498  1.494   1.000 16.400 0 230 ASN A C   1 ? 
ATOM   1891 O  O   . ASN A 1 229 ? 20.384  -5.366  1.396   1.000 16.933 0 230 ASN A O   1 ? 
ATOM   1892 C  CB  . ASN A 1 229 ? 20.982  -7.571  -0.725  1.000 19.305 0 230 ASN A CB  1 ? 
ATOM   1893 C  CG  . ASN A 1 229 ? 20.861  -8.798  -1.608  1.000 19.586 0 230 ASN A CG  1 ? 
ATOM   1894 O  OD1 . ASN A 1 229 ? 21.363  -8.754  -2.730  1.000 27.784 0 230 ASN A OD1 1 ? 
ATOM   1895 N  ND2 . ASN A 1 229 ? 20.246  -9.886  -1.211  1.000 21.410 0 230 ASN A ND2 1 ? 
ATOM   1896 N  N   . PHE A 1 230 ? 21.928  -6.761  2.294   1.000 16.852 0 231 PHE A N   1 ? 
ATOM   1897 C  CA  . PHE A 1 230 ? 22.624  -5.711  2.996   1.000 16.329 0 231 PHE A CA  1 ? 
ATOM   1898 C  C   . PHE A 1 230 ? 23.434  -4.812  2.050   1.000 17.411 0 231 PHE A C   1 ? 
ATOM   1899 O  O   . PHE A 1 230 ? 23.577  -3.629  2.260   1.000 16.276 0 231 PHE A O   1 ? 
ATOM   1900 C  CB  . PHE A 1 230 ? 23.604  -6.312  3.999   1.000 17.017 0 231 PHE A CB  1 ? 
ATOM   1901 C  CG  . PHE A 1 230 ? 23.073  -6.872  5.304   1.000 15.989 0 231 PHE A CG  1 ? 
ATOM   1902 C  CD1 . PHE A 1 230 ? 22.328  -6.087  6.175   1.000 16.988 0 231 PHE A CD1 1 ? 
ATOM   1903 C  CD2 . PHE A 1 230 ? 23.395  -8.168  5.677   1.000 17.745 0 231 PHE A CD2 1 ? 
ATOM   1904 C  CE1 . PHE A 1 230 ? 21.916  -6.623  7.404   1.000 16.137 0 231 PHE A CE1 1 ? 
ATOM   1905 C  CE2 . PHE A 1 230 ? 22.963  -8.718  6.878   1.000 15.704 0 231 PHE A CE2 1 ? 
ATOM   1906 C  CZ  . PHE A 1 230 ? 22.236  -7.921  7.743   1.000 15.583 0 231 PHE A CZ  1 ? 
ATOM   1907 N  N   . ASN A 1 231 ? 23.925  -5.444  0.992   1.000 18.031 0 232 ASN A N   1 ? 
ATOM   1908 C  CA  . ASN A 1 231 ? 24.845  -4.818  0.058   1.000 22.551 0 232 ASN A CA  1 ? 
ATOM   1909 C  C   . ASN A 1 231 ? 24.085  -3.967  -0.949  1.000 22.722 0 232 ASN A C   1 ? 
ATOM   1910 O  O   . ASN A 1 231 ? 22.908  -4.219  -1.191  1.000 20.337 0 232 ASN A O   1 ? 
ATOM   1911 C  CB  . ASN A 1 231 ? 25.587  -5.889  -0.742  1.000 21.975 0 232 ASN A CB  1 ? 
ATOM   1912 C  CG  . ASN A 1 231 ? 24.669  -6.921  -1.360  1.000 22.197 0 232 ASN A CG  1 ? 
ATOM   1913 O  OD1 . ASN A 1 231 ? 24.225  -7.890  -0.731  1.000 22.439 0 232 ASN A OD1 1 ? 
ATOM   1914 N  ND2 . ASN A 1 231 ? 24.425  -6.757  -2.649  1.000 26.815 0 232 ASN A ND2 1 ? 
ATOM   1915 N  N   . GLY A 1 232 ? 24.807  -3.003  -1.530  1.000 24.186 0 233 GLY A N   1 ? 
ATOM   1916 C  CA  . GLY A 1 232 ? 24.372  -2.256  -2.702  1.000 26.357 0 233 GLY A CA  1 ? 
ATOM   1917 C  C   . GLY A 1 232 ? 24.512  -3.070  -3.991  1.000 27.821 0 233 GLY A C   1 ? 
ATOM   1918 O  O   . GLY A 1 232 ? 25.238  -4.062  -4.034  1.000 27.758 0 233 GLY A O   1 ? 
ATOM   1919 N  N   . GLU A 1 233 ? 23.712  -2.679  -4.999  1.000 29.547 0 234 GLU A N   1 ? 
ATOM   1920 C  CA  . GLU A 1 233 ? 23.653  -3.305  -6.319  1.000 34.623 0 234 GLU A CA  1 ? 
ATOM   1921 C  C   . GLU A 1 233 ? 25.061  -3.505  -6.888  1.000 34.618 0 234 GLU A C   1 ? 
ATOM   1922 O  O   . GLU A 1 233 ? 25.853  -2.577  -6.889  1.000 30.806 0 234 GLU A O   1 ? 
ATOM   1923 C  CB  . GLU A 1 233 ? 22.824  -2.392  -7.230  1.000 36.348 0 234 GLU A CB  1 ? 
ATOM   1924 C  CG  . GLU A 1 233 ? 22.350  -3.028  -8.521  1.000 39.567 0 234 GLU A CG  1 ? 
ATOM   1925 C  CD  . GLU A 1 233 ? 21.434  -2.142  -9.361  1.000 41.323 0 234 GLU A CD  1 ? 
ATOM   1926 O  OE1 . GLU A 1 233 ? 21.258  -0.925  -9.044  1.000 38.366 0 234 GLU A OE1 1 ? 
ATOM   1927 O  OE2 . GLU A 1 233 ? 20.885  -2.670  -10.352 1.000 52.188 0 234 GLU A OE2 1 ? 
ATOM   1928 N  N   . GLY A 1 234 ? 25.380  -4.743  -7.285  1.000 41.599 0 235 GLY A N   1 ? 
ATOM   1929 C  CA  . GLY A 1 234 ? 26.684  -5.098  -7.829  1.000 43.714 0 235 GLY A CA  1 ? 
ATOM   1930 C  C   . GLY A 1 234 ? 27.818  -5.094  -6.799  1.000 49.276 0 235 GLY A C   1 ? 
ATOM   1931 O  O   . GLY A 1 234 ? 28.926  -4.679  -7.135  1.000 52.034 0 235 GLY A O   1 ? 
ATOM   1932 N  N   . GLU A 1 235 ? 27.549  -5.541  -5.555  1.000 40.875 0 236 GLU A N   1 ? 
ATOM   1933 C  CA  . GLU A 1 235 ? 28.590  -5.951  -4.620  1.000 34.855 0 236 GLU A CA  1 ? 
ATOM   1934 C  C   . GLU A 1 235 ? 28.311  -7.408  -4.290  1.000 31.156 0 236 GLU A C   1 ? 
ATOM   1935 O  O   . GLU A 1 235 ? 27.257  -7.878  -4.671  1.000 28.503 0 236 GLU A O   1 ? 
ATOM   1936 C  CB  . GLU A 1 235 ? 28.597  -5.118  -3.344  1.000 36.899 0 236 GLU A CB  1 ? 
ATOM   1937 C  CG  . GLU A 1 235 ? 28.551  -3.622  -3.581  1.000 34.388 0 236 GLU A CG  1 ? 
ATOM   1938 C  CD  . GLU A 1 235 ? 28.775  -2.847  -2.289  1.000 46.754 0 236 GLU A CD  1 ? 
ATOM   1939 O  OE1 . GLU A 1 235 ? 27.960  -3.003  -1.321  1.000 44.242 0 236 GLU A OE1 1 ? 
ATOM   1940 O  OE2 . GLU A 1 235 ? 29.787  -2.107  -2.218  1.000 56.866 0 236 GLU A OE2 1 ? 
ATOM   1941 N  N   . PRO A 1 236 ? 29.189  -8.188  -3.611  1.000 28.005 0 237 PRO A N   1 ? 
ATOM   1942 C  CA  . PRO A 1 236 ? 28.865  -9.606  -3.398  1.000 27.591 0 237 PRO A CA  1 ? 
ATOM   1943 C  C   . PRO A 1 236 ? 27.539  -9.720  -2.640  1.000 25.620 0 237 PRO A C   1 ? 
ATOM   1944 O  O   . PRO A 1 236 ? 27.301  -8.937  -1.724  1.000 25.217 0 237 PRO A O   1 ? 
ATOM   1945 C  CB  . PRO A 1 236 ? 30.034  -10.148 -2.544  1.000 25.451 0 237 PRO A CB  1 ? 
ATOM   1946 C  CG  . PRO A 1 236 ? 31.165  -9.140  -2.780  1.000 28.442 0 237 PRO A CG  1 ? 
ATOM   1947 C  CD  . PRO A 1 236 ? 30.466  -7.806  -2.984  1.000 30.316 0 237 PRO A CD  1 ? 
ATOM   1948 N  N   . GLU A 1 237 ? 26.703  -10.715 -2.988  1.000 25.248 0 238 GLU A N   1 ? 
ATOM   1949 C  CA  . GLU A 1 237 ? 25.378  -10.836 -2.388  1.000 25.257 0 238 GLU A CA  1 ? 
ATOM   1950 C  C   . GLU A 1 237 ? 25.511  -11.380 -0.968  1.000 24.296 0 238 GLU A C   1 ? 
ATOM   1951 O  O   . GLU A 1 237 ? 26.020  -12.502 -0.772  1.000 23.328 0 238 GLU A O   1 ? 
ATOM   1952 C  CB  . GLU A 1 237 ? 24.428  -11.775 -3.146  1.000 31.602 0 238 GLU A CB  1 ? 
ATOM   1953 C  CG  . GLU A 1 237 ? 23.087  -11.925 -2.426  1.000 34.143 0 238 GLU A CG  1 ? 
ATOM   1954 C  CD  . GLU A 1 237 ? 21.975  -12.781 -3.016  1.000 40.182 0 238 GLU A CD  1 ? 
ATOM   1955 O  OE1 . GLU A 1 237 ? 22.260  -13.970 -3.297  1.000 46.690 0 238 GLU A OE1 1 ? 
ATOM   1956 O  OE2 . GLU A 1 237 ? 20.777  -12.289 -3.086  1.000 31.045 0 238 GLU A OE2 1 ? 
ATOM   1957 N  N   . GLU A 1 238 ? 24.976  -10.611 0.010   1.000 21.121 0 239 GLU A N   1 ? 
ATOM   1958 C  CA  . GLU A 1 238 ? 24.976  -10.979 1.422   1.000 20.685 0 239 GLU A CA  1 ? 
ATOM   1959 C  C   . GLU A 1 238 ? 23.575  -10.742 1.993   1.000 19.188 0 239 GLU A C   1 ? 
ATOM   1960 O  O   . GLU A 1 238 ? 23.141  -9.590  2.086   1.000 25.645 0 239 GLU A O   1 ? 
ATOM   1961 C  CB  . GLU A 1 238 ? 25.947  -10.113 2.221   1.000 20.620 0 239 GLU A CB  1 ? 
ATOM   1962 C  CG  . GLU A 1 238 ? 27.423  -10.293 1.814   1.000 23.220 0 239 GLU A CG  1 ? 
ATOM   1963 C  CD  . GLU A 1 238 ? 28.062  -11.685 1.897   1.000 24.489 0 239 GLU A CD  1 ? 
ATOM   1964 O  OE1 . GLU A 1 238 ? 27.485  -12.581 2.519   1.000 21.678 0 239 GLU A OE1 1 ? 
ATOM   1965 O  OE2 . GLU A 1 238 ? 29.181  -11.870 1.309   1.000 26.480 0 239 GLU A OE2 1 ? 
ATOM   1966 N  N   . LEU A 1 239 ? 22.845  -11.826 2.254   1.000 19.855 0 240 LEU A N   1 ? 
ATOM   1967 C  CA  . LEU A 1 239 ? 21.437  -11.689 2.561   1.000 16.738 0 240 LEU A CA  1 ? 
ATOM   1968 C  C   . LEU A 1 239 ? 21.278  -10.822 3.825   1.000 15.123 0 240 LEU A C   1 ? 
ATOM   1969 O  O   . LEU A 1 239 ? 22.035  -10.938 4.808   1.000 15.386 0 240 LEU A O   1 ? 
ATOM   1970 C  CB  . LEU A 1 239 ? 20.825  -13.062 2.792   1.000 18.707 0 240 LEU A CB  1 ? 
ATOM   1971 C  CG  . LEU A 1 239 ? 20.753  -14.000 1.583   1.000 21.957 0 240 LEU A CG  1 ? 
ATOM   1972 C  CD1 . LEU A 1 239 ? 20.114  -15.321 2.018   1.000 24.117 0 240 LEU A CD1 1 ? 
ATOM   1973 C  CD2 . LEU A 1 239 ? 19.970  -13.353 0.447   1.000 20.363 0 240 LEU A CD2 1 ? 
ATOM   1974 N  N   . MET A 1 240 ? 20.246  -9.951  3.787   1.000 12.704 0 241 MET A N   1 ? 
ATOM   1975 C  CA  . MET A 1 240 ? 19.810  -9.174  4.950   1.000 10.762 0 241 MET A CA  1 ? 
ATOM   1976 C  C   . MET A 1 240 ? 18.983  -10.102 5.849   1.000 10.681 0 241 MET A C   1 ? 
ATOM   1977 O  O   . MET A 1 240 ? 17.777  -10.260 5.686   1.000 11.333 0 241 MET A O   1 ? 
ATOM   1978 C  CB  . MET A 1 240 ? 19.009  -7.925  4.547   1.000 11.768 0 241 MET A CB  1 ? 
ATOM   1979 C  CG  . MET A 1 240 ? 18.638  -7.043  5.744   1.000 11.032 0 241 MET A CG  1 ? 
ATOM   1980 S  SD  . MET A 1 240 ? 17.705  -5.585  5.240   1.000 11.851 0 241 MET A SD  1 ? 
ATOM   1981 C  CE  . MET A 1 240 ? 18.960  -4.528  4.521   1.000 11.821 0 241 MET A CE  1 ? 
ATOM   1982 N  N   . VAL A 1 241 ? 19.692  -10.783 6.762   1.000 10.551 0 242 VAL A N   1 ? 
ATOM   1983 C  CA  . VAL A 1 241 ? 19.154  -11.676 7.761   1.000 10.721 0 242 VAL A CA  1 ? 
ATOM   1984 C  C   . VAL A 1 241 ? 19.985  -11.470 9.028   1.000 10.260 0 242 VAL A C   1 ? 
ATOM   1985 O  O   . VAL A 1 241 ? 21.120  -11.026 8.986   1.000 9.798  0 242 VAL A O   1 ? 
ATOM   1986 C  CB  . VAL A 1 241 ? 19.167  -13.176 7.370   1.000 11.352 0 242 VAL A CB  1 ? 
ATOM   1987 C  CG1 . VAL A 1 241 ? 18.254  -13.496 6.196   1.000 12.864 0 242 VAL A CG1 1 ? 
ATOM   1988 C  CG2 . VAL A 1 241 ? 20.599  -13.660 7.077   1.000 11.865 0 242 VAL A CG2 1 ? 
ATOM   1989 N  N   . ASP A 1 242 ? 19.345  -11.703 10.184  1.000 9.310  0 243 ASP A N   1 ? 
ATOM   1990 C  CA  . ASP A 1 242 ? 20.003  -11.573 11.478  1.000 9.418  0 243 ASP A CA  1 ? 
ATOM   1991 C  C   . ASP A 1 242 ? 20.479  -10.144 11.700  1.000 9.262  0 243 ASP A C   1 ? 
ATOM   1992 O  O   . ASP A 1 242 ? 21.588  -9.889  12.198  1.000 9.588  0 243 ASP A O   1 ? 
ATOM   1993 C  CB  . ASP A 1 242 ? 21.070  -12.665 11.698  1.000 10.518 0 243 ASP A CB  1 ? 
ATOM   1994 C  CG  . ASP A 1 242 ? 20.464  -14.045 11.802  1.000 11.437 0 243 ASP A CG  1 ? 
ATOM   1995 O  OD1 . ASP A 1 242 ? 19.438  -14.227 12.463  1.000 10.967 0 243 ASP A OD1 1 ? 
ATOM   1996 O  OD2 . ASP A 1 242 ? 21.039  -14.984 11.161  1.000 13.625 0 243 ASP A OD2 1 ? 
ATOM   1997 N  N   . ASN A 1 243 ? 19.597  -9.188  11.391  1.000 7.885  0 244 ASN A N   1 ? 
ATOM   1998 C  CA  . ASN A 1 243 ? 19.880  -7.777  11.633  1.000 7.475  0 244 ASN A CA  1 ? 
ATOM   1999 C  C   . ASN A 1 243 ? 19.336  -7.327  12.994  1.000 8.332  0 244 ASN A C   1 ? 
ATOM   2000 O  O   . ASN A 1 243 ? 18.609  -6.336  13.064  1.000 9.134  0 244 ASN A O   1 ? 
ATOM   2001 C  CB  . ASN A 1 243 ? 19.367  -6.950  10.462  1.000 8.356  0 244 ASN A CB  1 ? 
ATOM   2002 C  CG  . ASN A 1 243 ? 17.877  -7.083  10.253  1.000 9.532  0 244 ASN A CG  1 ? 
ATOM   2003 O  OD1 . ASN A 1 243 ? 17.236  -7.974  10.776  1.000 9.294  0 244 ASN A OD1 1 ? 
ATOM   2004 N  ND2 . ASN A 1 243 ? 17.307  -6.165  9.489   1.000 10.244 0 244 ASN A ND2 1 ? 
ATOM   2005 N  N   . TRP A 1 244 ? 19.661  -8.100  14.036  1.000 7.447  0 245 TRP A N   1 ? 
ATOM   2006 C  CA  . TRP A 1 244 ? 19.217  -7.840  15.379  1.000 7.032  0 245 TRP A CA  1 ? 
ATOM   2007 C  C   . TRP A 1 244 ? 20.419  -7.710  16.280  1.000 7.981  0 245 TRP A C   1 ? 
ATOM   2008 O  O   . TRP A 1 244 ? 21.385  -8.444  16.147  1.000 9.215  0 245 TRP A O   1 ? 
ATOM   2009 C  CB  . TRP A 1 244 ? 18.243  -8.895  15.894  1.000 7.137  0 245 TRP A CB  1 ? 
ATOM   2010 C  CG  . TRP A 1 244 ? 18.687  -10.321 15.723  1.000 7.417  0 245 TRP A CG  1 ? 
ATOM   2011 C  CD1 . TRP A 1 244 ? 18.556  -11.078 14.600  1.000 8.377  0 245 TRP A CD1 1 ? 
ATOM   2012 C  CD2 . TRP A 1 244 ? 19.296  -11.177 16.710  1.000 8.369  0 245 TRP A CD2 1 ? 
ATOM   2013 N  NE1 . TRP A 1 244 ? 19.056  -12.331 14.811  1.000 7.686  0 245 TRP A NE1 1 ? 
ATOM   2014 C  CE2 . TRP A 1 244 ? 19.494  -12.443 16.104  1.000 8.175  0 245 TRP A CE2 1 ? 
ATOM   2015 C  CE3 . TRP A 1 244 ? 19.639  -11.018 18.057  1.000 9.447  0 245 TRP A CE3 1 ? 
ATOM   2016 C  CZ2 . TRP A 1 244 ? 20.066  -13.510 16.772  1.000 9.177  0 245 TRP A CZ2 1 ? 
ATOM   2017 C  CZ3 . TRP A 1 244 ? 20.137  -12.098 18.742  1.000 9.696  0 245 TRP A CZ3 1 ? 
ATOM   2018 C  CH2 . TRP A 1 244 ? 20.366  -13.319 18.098  1.000 9.711  0 245 TRP A CH2 1 ? 
ATOM   2019 N  N   . ARG A 1 245 ? 20.304  -6.795  17.273  1.000 7.804  0 246 ARG A N   1 ? 
ATOM   2020 C  CA  . ARG A 1 245 ? 21.244  -6.692  18.373  1.000 7.883  0 246 ARG A CA  1 ? 
ATOM   2021 C  C   . ARG A 1 245 ? 20.753  -7.580  19.488  1.000 8.440  0 246 ARG A C   1 ? 
ATOM   2022 O  O   . ARG A 1 245 ? 19.561  -7.610  19.806  1.000 8.562  0 246 ARG A O   1 ? 
ATOM   2023 C  CB  . ARG A 1 245 ? 21.316  -5.241  18.840  1.000 8.506  0 246 ARG A CB  1 ? 
ATOM   2024 C  CG  . ARG A 1 245 ? 22.382  -4.961  19.877  1.000 8.389  0 246 ARG A CG  1 ? 
ATOM   2025 C  CD  . ARG A 1 245 ? 22.319  -3.583  20.490  1.000 8.806  0 246 ARG A CD  1 ? 
ATOM   2026 N  NE  . ARG A 1 245 ? 23.568  -3.263  21.190  1.000 8.401  0 246 ARG A NE  1 ? 
ATOM   2027 C  CZ  . ARG A 1 245 ? 23.736  -2.248  22.030  1.000 9.041  0 246 ARG A CZ  1 ? 
ATOM   2028 N  NH1 . ARG A 1 245 ? 22.755  -1.440  22.394  1.000 8.949  0 246 ARG A NH1 1 ? 
ATOM   2029 N  NH2 . ARG A 1 245 ? 24.954  -1.970  22.457  1.000 9.483  0 246 ARG A NH2 1 ? 
ATOM   2030 N  N   A PRO A 1 246 ? 21.641  -8.360  20.132  0.500 8.848  0 247 PRO A N   1 ? 
ATOM   2031 N  N   B PRO A 1 246 ? 21.619  -8.359  20.153  0.500 8.715  0 247 PRO A N   1 ? 
ATOM   2032 C  CA  A PRO A 1 246 ? 21.286  -9.135  21.317  0.500 9.620  0 247 PRO A CA  1 ? 
ATOM   2033 C  CA  B PRO A 1 246 ? 21.158  -9.197  21.252  0.500 9.506  0 247 PRO A CA  1 ? 
ATOM   2034 C  C   A PRO A 1 246 ? 20.896  -8.300  22.532  0.500 8.765  0 247 PRO A C   1 ? 
ATOM   2035 C  C   B PRO A 1 246 ? 20.902  -8.351  22.503  0.500 8.743  0 247 PRO A C   1 ? 
ATOM   2036 O  O   A PRO A 1 246 ? 21.191  -7.113  22.637  0.500 8.380  0 247 PRO A O   1 ? 
ATOM   2037 O  O   B PRO A 1 246 ? 21.281  -7.190  22.590  0.500 8.518  0 247 PRO A O   1 ? 
ATOM   2038 C  CB  A PRO A 1 246 ? 22.581  -9.886  21.633  0.500 9.392  0 247 PRO A CB  1 ? 
ATOM   2039 C  CB  B PRO A 1 246 ? 22.322  -10.170 21.421  0.500 9.241  0 247 PRO A CB  1 ? 
ATOM   2040 C  CG  A PRO A 1 246 ? 23.194  -10.030 20.284  0.500 9.255  0 247 PRO A CG  1 ? 
ATOM   2041 C  CG  B PRO A 1 246 ? 23.515  -9.308  21.074  0.500 8.888  0 247 PRO A CG  1 ? 
ATOM   2042 C  CD  A PRO A 1 246 ? 23.003  -8.657  19.687  0.500 9.212  0 247 PRO A CD  1 ? 
ATOM   2043 C  CD  B PRO A 1 246 ? 23.056  -8.488  19.894  0.500 8.941  0 247 PRO A CD  1 ? 
ATOM   2044 N  N   . ALA A 1 247 ? 20.246  -8.967  23.490  1.000 8.930  0 248 ALA A N   1 ? 
ATOM   2045 C  CA  . ALA A 1 247 ? 19.899  -8.329  24.747  1.000 9.049  0 248 ALA A CA  1 ? 
ATOM   2046 C  C   . ALA A 1 247 ? 21.156  -7.826  25.480  1.000 9.155  0 248 ALA A C   1 ? 
ATOM   2047 O  O   . ALA A 1 247 ? 22.207  -8.516  25.541  1.000 10.785 0 248 ALA A O   1 ? 
ATOM   2048 C  CB  . ALA A 1 247 ? 19.153  -9.331  25.608  1.000 10.451 0 248 ALA A CB  1 ? 
ATOM   2049 N  N   . GLN A 1 248 ? 20.979  -6.649  26.074  1.000 8.568  0 249 GLN A N   1 ? 
ATOM   2050 C  CA  . GLN A 1 248 ? 22.000  -5.915  26.787  1.000 9.033  0 249 GLN A CA  1 ? 
ATOM   2051 C  C   . GLN A 1 248 ? 21.740  -5.950  28.287  1.000 10.650 0 249 GLN A C   1 ? 
ATOM   2052 O  O   . GLN A 1 248 ? 20.599  -6.144  28.702  1.000 11.335 0 249 GLN A O   1 ? 
ATOM   2053 C  CB  . GLN A 1 248 ? 22.063  -4.494  26.236  1.000 9.331  0 249 GLN A CB  1 ? 
ATOM   2054 C  CG  . GLN A 1 248 ? 22.353  -4.416  24.748  1.000 9.251  0 249 GLN A CG  1 ? 
ATOM   2055 C  CD  . GLN A 1 248 ? 23.680  -5.021  24.373  1.000 9.682  0 249 GLN A CD  1 ? 
ATOM   2056 O  OE1 . GLN A 1 248 ? 24.721  -4.681  24.949  1.000 12.561 0 249 GLN A OE1 1 ? 
ATOM   2057 N  NE2 . GLN A 1 248 ? 23.654  -5.983  23.463  1.000 10.021 0 249 GLN A NE2 1 ? 
ATOM   2058 N  N   . PRO A 1 249 ? 22.747  -5.602  29.120  1.000 11.958 0 250 PRO A N   1 ? 
ATOM   2059 C  CA  . PRO A 1 249 ? 22.554  -5.591  30.567  1.000 13.582 0 250 PRO A CA  1 ? 
ATOM   2060 C  C   . PRO A 1 249 ? 21.459  -4.639  31.029  1.000 11.123 0 250 PRO A C   1 ? 
ATOM   2061 O  O   . PRO A 1 249 ? 21.445  -3.477  30.631  1.000 11.361 0 250 PRO A O   1 ? 
ATOM   2062 C  CB  . PRO A 1 249 ? 23.919  -5.133  31.101  1.000 13.897 0 250 PRO A CB  1 ? 
ATOM   2063 C  CG  . PRO A 1 249 ? 24.892  -5.492  29.997  1.000 13.413 0 250 PRO A CG  1 ? 
ATOM   2064 C  CD  . PRO A 1 249 ? 24.117  -5.227  28.718  1.000 12.670 0 250 PRO A CD  1 ? 
ATOM   2065 N  N   . LEU A 1 250 ? 20.565  -5.116  31.885  1.000 12.858 0 251 LEU A N   1 ? 
ATOM   2066 C  CA  . LEU A 1 250 ? 19.498  -4.275  32.386  1.000 13.139 0 251 LEU A CA  1 ? 
ATOM   2067 C  C   . LEU A 1 250 ? 20.033  -3.164  33.296  1.000 13.576 0 251 LEU A C   1 ? 
ATOM   2068 O  O   . LEU A 1 250 ? 19.453  -2.074  33.334  1.000 12.376 0 251 LEU A O   1 ? 
ATOM   2069 C  CB  . LEU A 1 250 ? 18.493  -5.149  33.142  1.000 13.878 0 251 LEU A CB  1 ? 
ATOM   2070 C  CG  . LEU A 1 250 ? 17.193  -4.458  33.566  1.000 15.476 0 251 LEU A CG  1 ? 
ATOM   2071 C  CD1 . LEU A 1 250 ? 16.417  -3.918  32.367  1.000 14.281 0 251 LEU A CD1 1 ? 
ATOM   2072 C  CD2 . LEU A 1 250 ? 16.335  -5.434  34.355  1.000 17.108 0 251 LEU A CD2 1 ? 
ATOM   2073 N  N   A LYS A 1 251 ? 21.093  -3.462  34.067  0.600 13.925 0 252 LYS A N   1 ? 
ATOM   2074 N  N   B LYS A 1 251 ? 21.097  -3.448  34.062  0.400 13.502 0 252 LYS A N   1 ? 
ATOM   2075 C  CA  A LYS A 1 251 ? 21.704  -2.488  34.969  0.600 16.251 0 252 LYS A CA  1 ? 
ATOM   2076 C  CA  B LYS A 1 251 ? 21.703  -2.449  34.937  0.400 14.745 0 252 LYS A CA  1 ? 
ATOM   2077 C  C   A LYS A 1 251 ? 20.645  -1.983  35.956  0.600 16.096 0 252 LYS A C   1 ? 
ATOM   2078 C  C   B LYS A 1 251 ? 20.658  -1.982  35.950  0.400 15.573 0 252 LYS A C   1 ? 
ATOM   2079 O  O   A LYS A 1 251 ? 19.857  -2.776  36.465  0.600 17.143 0 252 LYS A O   1 ? 
ATOM   2080 O  O   B LYS A 1 251 ? 19.892  -2.795  36.463  0.400 16.288 0 252 LYS A O   1 ? 
ATOM   2081 C  CB  A LYS A 1 251 ? 22.512  -1.468  34.166  0.600 18.843 0 252 LYS A CB  1 ? 
ATOM   2082 C  CB  B LYS A 1 251 ? 22.378  -1.366  34.094  0.400 15.573 0 252 LYS A CB  1 ? 
ATOM   2083 C  CG  A LYS A 1 251 ? 23.842  -2.045  33.685  0.600 22.324 0 252 LYS A CG  1 ? 
ATOM   2084 C  CG  B LYS A 1 251 ? 23.396  -1.960  33.130  0.400 16.932 0 252 LYS A CG  1 ? 
ATOM   2085 C  CD  A LYS A 1 251 ? 24.703  -1.132  32.868  0.600 25.871 0 252 LYS A CD  1 ? 
ATOM   2086 C  CD  B LYS A 1 251 ? 24.429  -1.015  32.596  0.400 18.953 0 252 LYS A CD  1 ? 
ATOM   2087 C  CE  A LYS A 1 251 ? 25.886  -1.852  32.253  0.600 25.976 0 252 LYS A CE  1 ? 
ATOM   2088 C  CE  B LYS A 1 251 ? 25.728  -1.728  32.271  0.400 19.354 0 252 LYS A CE  1 ? 
ATOM   2089 N  NZ  A LYS A 1 251 ? 26.839  -2.319  33.282  0.600 25.353 0 252 LYS A NZ  1 ? 
ATOM   2090 N  NZ  B LYS A 1 251 ? 26.607  -0.935  31.376  0.400 19.358 0 252 LYS A NZ  1 ? 
ATOM   2091 N  N   . ASN A 1 252 ? 20.606  -0.680  36.211  1.000 16.171 0 253 ASN A N   1 ? 
ATOM   2092 C  CA  . ASN A 1 252 ? 19.733  -0.183  37.262  1.000 24.235 0 253 ASN A CA  1 ? 
ATOM   2093 C  C   . ASN A 1 252 ? 18.414  0.288   36.649  1.000 24.405 0 253 ASN A C   1 ? 
ATOM   2094 O  O   . ASN A 1 252 ? 18.106  1.508   36.732  1.000 28.948 0 253 ASN A O   1 ? 
ATOM   2095 C  CB  . ASN A 1 252 ? 20.377  0.960   38.059  1.000 29.129 0 253 ASN A CB  1 ? 
ATOM   2096 C  CG  . ASN A 1 252 ? 19.603  1.285   39.323  1.000 38.478 0 253 ASN A CG  1 ? 
ATOM   2097 O  OD1 . ASN A 1 252 ? 19.169  0.375   40.028  1.000 49.133 0 253 ASN A OD1 1 ? 
ATOM   2098 N  ND2 . ASN A 1 252 ? 19.416  2.565   39.625  1.000 40.294 0 253 ASN A ND2 1 ? 
ATOM   2099 N  N   . ARG A 1 253 ? 17.699  -0.669  36.010  1.000 16.933 0 254 ARG A N   1 ? 
ATOM   2100 C  CA  . ARG A 1 253 ? 16.401  -0.346  35.446  1.000 14.283 0 254 ARG A CA  1 ? 
ATOM   2101 C  C   . ARG A 1 253 ? 15.335  -1.346  35.880  1.000 13.082 0 254 ARG A C   1 ? 
ATOM   2102 O  O   . ARG A 1 253 ? 15.571  -2.505  36.111  1.000 14.110 0 254 ARG A O   1 ? 
ATOM   2103 C  CB  . ARG A 1 253 ? 16.494  -0.333  33.914  1.000 12.167 0 254 ARG A CB  1 ? 
ATOM   2104 C  CG  . ARG A 1 253 ? 17.423  0.756   33.405  1.000 12.102 0 254 ARG A CG  1 ? 
ATOM   2105 C  CD  . ARG A 1 253 ? 17.517  0.751   31.894  1.000 11.406 0 254 ARG A CD  1 ? 
ATOM   2106 N  NE  . ARG A 1 253 ? 18.283  -0.396  31.445  1.000 10.522 0 254 ARG A NE  1 ? 
ATOM   2107 C  CZ  . ARG A 1 253 ? 18.579  -0.622  30.168  1.000 8.904  0 254 ARG A CZ  1 ? 
ATOM   2108 N  NH1 . ARG A 1 253 ? 17.967  0.080   29.209  1.000 8.942  0 254 ARG A NH1 1 ? 
ATOM   2109 N  NH2 . ARG A 1 253 ? 19.387  -1.628  29.859  1.000 8.555  0 254 ARG A NH2 1 ? 
ATOM   2110 N  N   . GLN A 1 254 ? 14.116  -0.824  35.934  1.000 13.783 0 255 GLN A N   1 ? 
ATOM   2111 C  CA  . GLN A 1 254 ? 12.896  -1.568  36.208  1.000 15.076 0 255 GLN A CA  1 ? 
ATOM   2112 C  C   . GLN A 1 254 ? 11.988  -1.539  34.975  1.000 12.616 0 255 GLN A C   1 ? 
ATOM   2113 O  O   . GLN A 1 254 ? 11.854  -0.512  34.286  1.000 15.981 0 255 GLN A O   1 ? 
ATOM   2114 C  CB  . GLN A 1 254 ? 12.161  -0.904  37.378  1.000 19.753 0 255 GLN A CB  1 ? 
ATOM   2115 C  CG  . GLN A 1 254 ? 12.852  -1.116  38.724  1.000 28.261 0 255 GLN A CG  1 ? 
ATOM   2116 C  CD  . GLN A 1 254 ? 12.300  -0.234  39.828  1.000 40.426 0 255 GLN A CD  1 ? 
ATOM   2117 O  OE1 . GLN A 1 254 ? 12.441  -0.537  41.018  1.000 49.763 0 255 GLN A OE1 1 ? 
ATOM   2118 N  NE2 . GLN A 1 254 ? 11.682  0.877   39.443  1.000 47.360 0 255 GLN A NE2 1 ? 
ATOM   2119 N  N   . ILE A 1 255 ? 11.550  -2.725  34.607  1.000 10.594 0 256 ILE A N   1 ? 
ATOM   2120 C  CA  . ILE A 1 255 ? 10.567  -2.894  33.546  1.000 10.814 0 256 ILE A CA  1 ? 
ATOM   2121 C  C   . ILE A 1 255 ? 9.200   -2.885  34.219  1.000 11.361 0 256 ILE A C   1 ? 
ATOM   2122 O  O   . ILE A 1 255 ? 8.964   -3.585  35.231  1.000 11.524 0 256 ILE A O   1 ? 
ATOM   2123 C  CB  . ILE A 1 255 ? 10.805  -4.169  32.721  1.000 10.356 0 256 ILE A CB  1 ? 
ATOM   2124 C  CG1 . ILE A 1 255 ? 12.230  -4.135  32.146  1.000 12.695 0 256 ILE A CG1 1 ? 
ATOM   2125 C  CG2 . ILE A 1 255 ? 9.743   -4.299  31.622  1.000 11.374 0 256 ILE A CG2 1 ? 
ATOM   2126 C  CD1 . ILE A 1 255 ? 12.572  -5.332  31.293  1.000 14.205 0 256 ILE A CD1 1 ? 
ATOM   2127 N  N   . LYS A 1 256 ? 8.333   -2.032  33.693  1.000 10.645 0 257 LYS A N   1 ? 
ATOM   2128 C  CA  . LYS A 1 256 ? 6.969   -1.930  34.213  1.000 10.673 0 257 LYS A CA  1 ? 
ATOM   2129 C  C   . LYS A 1 256 ? 6.001   -2.574  33.240  1.000 10.852 0 257 LYS A C   1 ? 
ATOM   2130 O  O   . LYS A 1 256 ? 6.191   -2.517  32.026  1.000 12.122 0 257 LYS A O   1 ? 
ATOM   2131 C  CB  . LYS A 1 256 ? 6.549   -0.485  34.392  1.000 12.277 0 257 LYS A CB  1 ? 
ATOM   2132 C  CG  . LYS A 1 256 ? 7.452   0.401   35.245  1.000 17.640 0 257 LYS A CG  1 ? 
ATOM   2133 C  CD  . LYS A 1 256 ? 8.013   -0.195  36.495  1.000 24.819 0 257 LYS A CD  1 ? 
ATOM   2134 C  CE  . LYS A 1 256 ? 7.183   -0.030  37.748  1.000 31.660 0 257 LYS A CE  1 ? 
ATOM   2135 N  NZ  . LYS A 1 256 ? 8.067   -0.153  38.934  1.000 33.583 0 257 LYS A NZ  1 ? 
ATOM   2136 N  N   . ALA A 1 257 ? 4.937   -3.168  33.752  1.000 10.525 0 258 ALA A N   1 ? 
ATOM   2137 C  CA  . ALA A 1 257 ? 3.866   -3.735  32.961  1.000 11.420 0 258 ALA A CA  1 ? 
ATOM   2138 C  C   . ALA A 1 257 ? 2.596   -2.902  33.093  1.000 11.621 0 258 ALA A C   1 ? 
ATOM   2139 O  O   . ALA A 1 257 ? 2.251   -2.408  34.187  1.000 11.484 0 258 ALA A O   1 ? 
ATOM   2140 C  CB  . ALA A 1 257 ? 3.590   -5.154  33.411  1.000 13.053 0 258 ALA A CB  1 ? 
ATOM   2141 N  N   . SER A 1 258 ? 1.819   -2.832  32.015  1.000 10.297 0 259 SER A N   1 ? 
ATOM   2142 C  CA  . SER A 1 258 ? 0.543   -2.111  31.994  1.000 12.178 0 259 SER A CA  1 ? 
ATOM   2143 C  C   . SER A 1 258 ? -0.599  -2.984  32.497  1.000 13.116 0 259 SER A C   1 ? 
ATOM   2144 O  O   . SER A 1 258 ? -1.740  -2.496  32.581  1.000 17.224 0 259 SER A O   1 ? 
ATOM   2145 C  CB  . SER A 1 258 ? 0.195   -1.608  30.608  1.000 11.886 0 259 SER A CB  1 ? 
ATOM   2146 O  OG  . SER A 1 258 ? -0.164  -2.654  29.766  1.000 12.744 0 259 SER A OG  1 ? 
ATOM   2147 N  N   . PHE A 1 259 ? -0.312  -4.257  32.739  1.000 13.322 0 260 PHE A N   1 ? 
ATOM   2148 C  CA  . PHE A 1 259 ? -1.321  -5.281  32.960  1.000 16.128 0 260 PHE A CA  1 ? 
ATOM   2149 C  C   . PHE A 1 259 ? -0.853  -6.200  34.082  1.000 20.905 0 260 PHE A C   1 ? 
ATOM   2150 O  O   . PHE A 1 259 ? 0.347   -6.388  34.331  1.000 17.852 0 260 PHE A O   1 ? 
ATOM   2151 C  CB  . PHE A 1 259 ? -1.556  -6.087  31.677  1.000 15.573 0 260 PHE A CB  1 ? 
ATOM   2152 C  CG  . PHE A 1 259 ? -0.319  -6.821  31.216  1.000 16.352 0 260 PHE A CG  1 ? 
ATOM   2153 C  CD1 . PHE A 1 259 ? 0.685   -6.150  30.530  1.000 15.252 0 260 PHE A CD1 1 ? 
ATOM   2154 C  CD2 . PHE A 1 259 ? -0.098  -8.140  31.584  1.000 19.629 0 260 PHE A CD2 1 ? 
ATOM   2155 C  CE1 . PHE A 1 259 ? 1.828   -6.824  30.117  1.000 15.880 0 260 PHE A CE1 1 ? 
ATOM   2156 C  CE2 . PHE A 1 259 ? 1.054   -8.802  31.191  1.000 20.369 0 260 PHE A CE2 1 ? 
ATOM   2157 C  CZ  . PHE A 1 259 ? 2.028   -8.138  30.480  1.000 17.715 0 260 PHE A CZ  1 ? 
ATOM   2158 N  N   . LYS A 1 260 ? -1.837  -6.898  34.664  1.000 28.173 0 261 LYS A N   1 ? 
ATOM   2159 C  CA  . LYS A 1 260 ? -1.574  -7.833  35.748  1.000 36.197 0 261 LYS A CA  1 ? 
ATOM   2160 C  C   . LYS A 1 260 ? -1.267  -9.199  35.134  1.000 40.463 0 261 LYS A C   1 ? 
ATOM   2161 O  O   . LYS A 1 260 ? -2.110  -9.647  34.328  1.000 41.535 0 261 LYS A O   1 ? 
ATOM   2162 C  CB  . LYS A 1 260 ? -2.776  -7.920  36.694  1.000 41.874 0 261 LYS A CB  1 ? 
ATOM   2163 C  CG  . LYS A 1 260 ? -3.270  -6.592  37.253  1.000 49.387 0 261 LYS A CG  1 ? 
ATOM   2164 C  CD  . LYS A 1 260 ? -4.376  -6.766  38.284  1.000 56.441 0 261 LYS A CD  1 ? 
ATOM   2165 C  CE  . LYS A 1 260 ? -5.015  -5.458  38.705  1.000 57.840 0 261 LYS A CE  1 ? 
ATOM   2166 N  NZ  . LYS A 1 260 ? -6.296  -5.684  39.417  1.000 58.694 0 261 LYS A NZ  1 ? 
ATOM   2167 O  OXT . LYS A 1 260 ? -0.181  -9.748  35.453  1.000 51.001 0 261 LYS A OXT 1 ? 
HETATM 2168 ZN ZN  . ZN  B 2 .   ? 14.683  -1.238  15.420  0.750 7.796  0 301 ZN  A ZN  1 ? 
HETATM 2169 C  C16 . LGO C 3 .   ? 15.058  7.787   13.094  0.900 19.097 0 302 LGO A C16 1 ? 
HETATM 2170 C  C15 . LGO C 3 .   ? 14.871  8.671   14.149  0.900 20.035 0 302 LGO A C15 1 ? 
HETATM 2171 C  C23 . LGO C 3 .   ? 13.248  11.695  7.364   0.900 28.548 0 302 LGO A C23 1 ? 
HETATM 2172 C  C14 . LGO C 3 .   ? 15.825  8.783   15.191  0.900 20.168 0 302 LGO A C14 1 ? 
HETATM 2173 C  C13 . LGO C 3 .   ? 16.975  8.002   15.129  0.900 20.908 0 302 LGO A C13 1 ? 
HETATM 2174 C  C12 . LGO C 3 .   ? 17.140  7.100   14.098  0.900 19.865 0 302 LGO A C12 1 ? 
HETATM 2175 C  C10 . LGO C 3 .   ? 16.509  6.021   12.060  0.900 20.621 0 302 LGO A C10 1 ? 
HETATM 2176 C  C11 . LGO C 3 .   ? 16.188  7.006   13.111  0.900 19.661 0 302 LGO A C11 1 ? 
HETATM 2177 O  O35 . LGO C 3 .   ? 16.109  1.511   18.119  0.900 11.531 0 302 LGO A O35 1 ? 
HETATM 2178 S  S02 . LGO C 3 .   ? 15.355  1.227   16.973  0.900 14.026 0 302 LGO A S02 1 ? 
HETATM 2179 O  O34 . LGO C 3 .   ? 13.952  1.353   17.056  0.900 17.116 0 302 LGO A O34 1 ? 
HETATM 2180 N  N01 . LGO C 3 .   ? 15.694  -0.312  16.621  0.900 16.858 0 302 LGO A N01 1 ? 
HETATM 2181 C  C03 . LGO C 3 .   ? 15.857  2.230   15.723  0.900 14.729 0 302 LGO A C03 1 ? 
HETATM 2182 C  C06 . LGO C 3 .   ? 17.003  2.056   14.929  0.900 15.274 0 302 LGO A C06 1 ? 
HETATM 2183 C  C07 . LGO C 3 .   ? 17.279  2.877   13.814  0.900 18.011 0 302 LGO A C07 1 ? 
HETATM 2184 C  C08 . LGO C 3 .   ? 16.479  3.942   13.414  0.900 15.775 0 302 LGO A C08 1 ? 
HETATM 2185 C  C05 . LGO C 3 .   ? 15.369  4.100   14.207  0.900 14.374 0 302 LGO A C05 1 ? 
HETATM 2186 C  C04 . LGO C 3 .   ? 15.081  3.296   15.292  0.900 15.694 0 302 LGO A C04 1 ? 
HETATM 2187 N  N09 . LGO C 3 .   ? 16.741  4.701   12.284  0.900 17.657 0 302 LGO A N09 1 ? 
HETATM 2188 N  N33 . LGO C 3 .   ? 17.082  4.027   11.066  0.900 20.243 0 302 LGO A N33 1 ? 
HETATM 2189 C  C32 . LGO C 3 .   ? 17.127  5.041   10.109  0.900 20.432 0 302 LGO A C32 1 ? 
HETATM 2190 C  C17 . LGO C 3 .   ? 16.861  6.270   10.684  0.900 23.337 0 302 LGO A C17 1 ? 
HETATM 2191 N  N18 . LGO C 3 .   ? 16.552  7.502   10.057  0.900 22.589 0 302 LGO A N18 1 ? 
HETATM 2192 C  C19 . LGO C 3 .   ? 15.286  7.827   9.647   0.900 22.194 0 302 LGO A C19 1 ? 
HETATM 2193 O  O31 . LGO C 3 .   ? 14.254  7.163   9.802   0.900 20.543 0 302 LGO A O31 1 ? 
HETATM 2194 N  N20 . LGO C 3 .   ? 15.198  9.076   9.047   0.900 21.876 0 302 LGO A N20 1 ? 
HETATM 2195 C  C21 . LGO C 3 .   ? 14.094  9.724   8.550   0.900 25.508 0 302 LGO A C21 1 ? 
HETATM 2196 C  C30 . LGO C 3 .   ? 12.791  9.256   8.591   0.900 25.462 0 302 LGO A C30 1 ? 
HETATM 2197 C  C29 . LGO C 3 .   ? 11.734  9.981   8.026   0.900 28.772 0 302 LGO A C29 1 ? 
HETATM 2198 C  C24 . LGO C 3 .   ? 11.929  11.228  7.413   0.900 28.190 0 302 LGO A C24 1 ? 
HETATM 2199 S  S25 . LGO C 3 .   ? 10.678  12.078  6.767   0.900 35.357 0 302 LGO A S25 1 ? 
HETATM 2200 O  O26 . LGO C 3 .   ? 11.189  13.366  6.344   0.900 41.310 0 302 LGO A O26 1 ? 
HETATM 2201 O  O28 . LGO C 3 .   ? 10.227  11.303  5.611   0.900 35.796 0 302 LGO A O28 1 ? 
HETATM 2202 N  N27 . LGO C 3 .   ? 9.477   12.391  7.747   0.900 27.780 0 302 LGO A N27 1 ? 
HETATM 2203 C  C22 . LGO C 3 .   ? 14.302  10.958  7.913   0.900 23.852 0 302 LGO A C22 1 ? 
HETATM 2204 S  S   . DMS D 4 .   ? 22.748  -11.224 15.096  0.900 26.236 0 303 DMS A S   1 ? 
HETATM 2205 O  O   . DMS D 4 .   ? 22.922  -11.059 16.638  0.900 25.668 0 303 DMS A O   1 ? 
HETATM 2206 C  C1  . DMS D 4 .   ? 23.526  -12.734 14.651  0.900 24.371 0 303 DMS A C1  1 ? 
HETATM 2207 C  C2  . DMS D 4 .   ? 23.962  -10.103 14.463  0.900 27.370 0 303 DMS A C2  1 ? 
HETATM 2208 C  C1  . GOL E 5 .   ? -6.116  -4.377  25.960  0.800 24.369 0 304 GOL A C1  1 ? 
HETATM 2209 O  O1  . GOL E 5 .   ? -5.643  -3.300  25.159  0.800 16.355 0 304 GOL A O1  1 ? 
HETATM 2210 C  C2  . GOL E 5 .   ? -7.336  -5.135  25.437  0.800 26.805 0 304 GOL A C2  1 ? 
HETATM 2211 O  O2  . GOL E 5 .   ? -7.711  -4.875  24.099  0.800 30.756 0 304 GOL A O2  1 ? 
HETATM 2212 C  C3  . GOL E 5 .   ? -7.214  -6.634  25.525  0.800 26.735 0 304 GOL A C3  1 ? 
HETATM 2213 O  O3  . GOL E 5 .   ? -6.085  -6.991  26.309  0.800 26.099 0 304 GOL A O3  1 ? 
HETATM 2214 S  S   . SO4 F 6 .   ? 30.270  4.754   10.147  0.800 31.259 0 305 SO4 A S   1 ? 
HETATM 2215 O  O1  . SO4 F 6 .   ? 30.586  4.714   8.732   0.800 34.737 0 305 SO4 A O1  1 ? 
HETATM 2216 O  O2  . SO4 F 6 .   ? 29.069  5.533   10.356  0.800 38.559 0 305 SO4 A O2  1 ? 
HETATM 2217 O  O3  . SO4 F 6 .   ? 30.079  3.412   10.636  0.800 32.630 0 305 SO4 A O3  1 ? 
HETATM 2218 O  O4  . SO4 F 6 .   ? 31.342  5.394   10.863  0.800 32.913 0 305 SO4 A O4  1 ? 
HETATM 2219 O  O   . HOH G 7 .   ? 16.778  -0.502  15.211  0.500 13.691 0 401 HOH A O   1 ? 
HETATM 2220 O  O   . HOH G 7 .   ? 10.103  -14.899 34.265  1.000 32.289 0 402 HOH A O   1 ? 
HETATM 2221 O  O   . HOH G 7 .   ? 32.497  5.031   7.654   1.000 35.032 0 403 HOH A O   1 ? 
HETATM 2222 O  O   . HOH G 7 .   ? 0.378   -6.544  -2.073  1.000 29.620 0 404 HOH A O   1 ? 
HETATM 2223 O  O   . HOH G 7 .   ? -6.577  6.892   15.456  0.500 22.093 0 405 HOH A O   1 ? 
HETATM 2224 O  O   . HOH G 7 .   ? 11.248  16.399  29.814  1.000 24.848 0 406 HOH A O   1 ? 
HETATM 2225 O  O   . HOH G 7 .   ? 19.514  19.336  16.002  1.000 33.628 0 407 HOH A O   1 ? 
HETATM 2226 O  O   . HOH G 7 .   ? 8.409   13.738  31.854  1.000 27.974 0 408 HOH A O   1 ? 
HETATM 2227 O  O   . HOH G 7 .   ? -4.393  -4.902  13.279  1.000 26.942 0 409 HOH A O   1 ? 
HETATM 2228 O  O   . HOH G 7 .   ? -4.153  -10.306 23.469  1.000 32.804 0 410 HOH A O   1 ? 
HETATM 2229 O  O   . HOH G 7 .   ? 14.379  -19.488 19.786  1.000 22.781 0 411 HOH A O   1 ? 
HETATM 2230 O  O   . HOH G 7 .   ? 31.186  2.464   12.727  1.000 28.682 0 412 HOH A O   1 ? 
HETATM 2231 O  O   . HOH G 7 .   ? -2.674  9.312   20.426  1.000 27.083 0 413 HOH A O   1 ? 
HETATM 2232 O  O   . HOH G 7 .   ? -1.130  2.017   30.317  1.000 18.687 0 414 HOH A O   1 ? 
HETATM 2233 O  O   . HOH G 7 .   ? 24.868  5.598   29.980  1.000 18.090 0 415 HOH A O   1 ? 
HETATM 2234 O  O   . HOH G 7 .   ? 37.168  3.925   15.630  1.000 21.443 0 416 HOH A O   1 ? 
HETATM 2235 O  O   . HOH G 7 .   ? 12.790  0.718   -6.565  1.000 32.668 0 417 HOH A O   1 ? 
HETATM 2236 O  O   . HOH G 7 .   ? 5.915   -9.816  37.452  1.000 23.532 0 418 HOH A O   1 ? 
HETATM 2237 O  O   . HOH G 7 .   ? 21.405  -0.696  -4.594  1.000 26.008 0 419 HOH A O   1 ? 
HETATM 2238 O  O   . HOH G 7 .   ? -4.310  10.175  13.544  1.000 31.012 0 420 HOH A O   1 ? 
HETATM 2239 O  O   . HOH G 7 .   ? -2.734  -2.900  29.694  1.000 32.703 0 421 HOH A O   1 ? 
HETATM 2240 O  O   . HOH G 7 .   ? 20.054  -3.559  15.810  1.000 9.993  0 422 HOH A O   1 ? 
HETATM 2241 O  O   . HOH G 7 .   ? 2.285   18.078  19.005  1.000 27.264 0 423 HOH A O   1 ? 
HETATM 2242 O  O   . HOH G 7 .   ? 31.467  6.391   13.259  1.000 31.489 0 424 HOH A O   1 ? 
HETATM 2243 O  O   . HOH G 7 .   ? 25.838  -1.930  29.090  1.000 21.221 0 425 HOH A O   1 ? 
HETATM 2244 O  O   . HOH G 7 .   ? 24.080  -3.613  7.852   1.000 24.821 0 426 HOH A O   1 ? 
HETATM 2245 O  O   . HOH G 7 .   ? 12.144  6.423   29.027  1.000 27.851 0 427 HOH A O   1 ? 
HETATM 2246 O  O   . HOH G 7 .   ? 23.074  8.627   28.339  1.000 27.372 0 428 HOH A O   1 ? 
HETATM 2247 O  O   . HOH G 7 .   ? 16.638  -11.525 32.219  1.000 23.414 0 429 HOH A O   1 ? 
HETATM 2248 O  O   . HOH G 7 .   ? 1.056   -16.106 3.200   1.000 19.419 0 430 HOH A O   1 ? 
HETATM 2249 O  O   . HOH G 7 .   ? 32.667  -6.341  22.500  1.000 20.142 0 431 HOH A O   1 ? 
HETATM 2250 O  O   . HOH G 7 .   ? 17.817  -12.452 -2.613  1.000 24.980 0 432 HOH A O   1 ? 
HETATM 2251 O  O   . HOH G 7 .   ? 1.087   11.494  26.647  1.000 19.726 0 433 HOH A O   1 ? 
HETATM 2252 O  O   . HOH G 7 .   ? 7.852   -21.908 11.838  1.000 28.259 0 434 HOH A O   1 ? 
HETATM 2253 O  O   . HOH G 7 .   ? -1.585  -5.377  2.976   1.000 27.085 0 435 HOH A O   1 ? 
HETATM 2254 O  O   . HOH G 7 .   ? 23.887  -12.710 5.433   1.000 21.259 0 436 HOH A O   1 ? 
HETATM 2255 O  O   . HOH G 7 .   ? 26.504  7.648   20.347  1.000 20.498 0 437 HOH A O   1 ? 
HETATM 2256 O  O   . HOH G 7 .   ? -4.189  -9.939  18.016  1.000 30.913 0 438 HOH A O   1 ? 
HETATM 2257 O  O   . HOH G 7 .   ? 8.860   13.287  29.317  1.000 23.689 0 439 HOH A O   1 ? 
HETATM 2258 O  O   . HOH G 7 .   ? 0.798   9.232   30.020  1.000 30.196 0 440 HOH A O   1 ? 
HETATM 2259 O  O   . HOH G 7 .   ? 27.146  -5.430  24.193  1.000 34.097 0 441 HOH A O   1 ? 
HETATM 2260 O  O   . HOH G 7 .   ? 3.346   10.972  11.520  1.000 19.086 0 442 HOH A O   1 ? 
HETATM 2261 O  O   . HOH G 7 .   ? -10.392 -10.254 16.231  1.000 19.027 0 443 HOH A O   1 ? 
HETATM 2262 O  O   . HOH G 7 .   ? 2.098   -11.805 -3.315  1.000 26.510 0 444 HOH A O   1 ? 
HETATM 2263 O  O   . HOH G 7 .   ? 25.633  -2.781  26.647  1.000 19.251 0 445 HOH A O   1 ? 
HETATM 2264 O  O   . HOH G 7 .   ? 6.190   20.193  13.355  1.000 27.006 0 446 HOH A O   1 ? 
HETATM 2265 O  O   . HOH G 7 .   ? 13.995  17.144  10.945  1.000 38.973 0 447 HOH A O   1 ? 
HETATM 2266 O  O   . HOH G 7 .   ? 17.366  -20.396 15.905  1.000 20.762 0 448 HOH A O   1 ? 
HETATM 2267 O  O   . HOH G 7 .   ? 5.816   1.118   -4.870  1.000 30.493 0 449 HOH A O   1 ? 
HETATM 2268 O  O   . HOH G 7 .   ? 2.412   -3.404  -2.391  1.000 29.730 0 450 HOH A O   1 ? 
HETATM 2269 O  O   . HOH G 7 .   ? 2.351   -20.310 15.120  1.000 26.418 0 451 HOH A O   1 ? 
HETATM 2270 O  O   . HOH G 7 .   ? 16.771  -12.946 18.131  1.000 9.414  0 452 HOH A O   1 ? 
HETATM 2271 O  O   . HOH G 7 .   ? 6.860   -16.025 29.061  1.000 23.276 0 453 HOH A O   1 ? 
HETATM 2272 O  O   . HOH G 7 .   ? 20.249  4.647   13.706  1.000 34.858 0 454 HOH A O   1 ? 
HETATM 2273 O  O   . HOH G 7 .   ? 3.200   -19.981 8.123   1.000 21.543 0 455 HOH A O   1 ? 
HETATM 2274 O  O   . HOH G 7 .   ? 10.359  1.648   33.746  1.000 30.522 0 456 HOH A O   1 ? 
HETATM 2275 O  O   . HOH G 7 .   ? 10.885  9.257   25.627  1.000 12.287 0 457 HOH A O   1 ? 
HETATM 2276 O  O   . HOH G 7 .   ? 21.190  -19.392 11.125  1.000 30.085 0 458 HOH A O   1 ? 
HETATM 2277 O  O   . HOH G 7 .   ? 22.496  -11.170 25.184  1.000 23.174 0 459 HOH A O   1 ? 
HETATM 2278 O  O   . HOH G 7 .   ? 17.779  -10.589 21.029  1.000 10.419 0 460 HOH A O   1 ? 
HETATM 2279 O  O   . HOH G 7 .   ? 14.285  -14.222 31.808  1.000 19.901 0 461 HOH A O   1 ? 
HETATM 2280 O  O   . HOH G 7 .   ? 14.358  -7.951  -6.887  1.000 30.802 0 462 HOH A O   1 ? 
HETATM 2281 O  O   . HOH G 7 .   ? 20.313  9.645   28.333  1.000 20.101 0 463 HOH A O   1 ? 
HETATM 2282 O  O   . HOH G 7 .   ? 13.338  -15.046 11.471  1.000 11.763 0 464 HOH A O   1 ? 
HETATM 2283 O  O   . HOH G 7 .   ? 28.515  -13.527 -0.974  1.000 23.930 0 465 HOH A O   1 ? 
HETATM 2284 O  O   . HOH G 7 .   ? 18.815  -8.097  29.276  1.000 11.188 0 466 HOH A O   1 ? 
HETATM 2285 O  O   . HOH G 7 .   ? 7.659   11.096  27.955  1.000 17.232 0 467 HOH A O   1 ? 
HETATM 2286 O  O   . HOH G 7 .   ? 28.209  -2.832  30.289  1.000 34.508 0 468 HOH A O   1 ? 
HETATM 2287 O  O   . HOH G 7 .   ? 5.719   9.594   -1.516  1.000 32.723 0 469 HOH A O   1 ? 
HETATM 2288 O  O   . HOH G 7 .   ? 4.179   15.088  33.341  1.000 33.777 0 470 HOH A O   1 ? 
HETATM 2289 O  O   . HOH G 7 .   ? 29.966  -3.216  21.145  1.000 12.008 0 471 HOH A O   1 ? 
HETATM 2290 O  O   . HOH G 7 .   ? 13.336  7.682   28.171  1.000 25.803 0 472 HOH A O   1 ? 
HETATM 2291 O  O   . HOH G 7 .   ? 32.444  2.118   26.033  1.000 21.409 0 473 HOH A O   1 ? 
HETATM 2292 O  O   . HOH G 7 .   ? 1.416   -3.435  41.301  1.000 28.076 0 474 HOH A O   1 ? 
HETATM 2293 O  O   . HOH G 7 .   ? 23.217  -15.260 9.539   1.000 23.106 0 475 HOH A O   1 ? 
HETATM 2294 O  O   . HOH G 7 .   ? 26.448  -10.148 18.829  1.000 31.796 0 476 HOH A O   1 ? 
HETATM 2295 O  O   . HOH G 7 .   ? 20.150  3.943   1.985   1.000 32.450 0 477 HOH A O   1 ? 
HETATM 2296 O  O   . HOH G 7 .   ? 22.524  15.584  24.430  1.000 32.759 0 478 HOH A O   1 ? 
HETATM 2297 O  O   . HOH G 7 .   ? 20.960  1.887   34.569  1.000 29.872 0 479 HOH A O   1 ? 
HETATM 2298 O  O   . HOH G 7 .   ? 4.743   -14.799 33.031  1.000 36.819 0 480 HOH A O   1 ? 
HETATM 2299 O  O   . HOH G 7 .   ? -1.962  -2.418  6.833   1.000 22.742 0 481 HOH A O   1 ? 
HETATM 2300 O  O   . HOH G 7 .   ? 2.491   12.877  13.099  1.000 26.849 0 482 HOH A O   1 ? 
HETATM 2301 O  O   . HOH G 7 .   ? 7.599   14.952  27.456  1.000 27.732 0 483 HOH A O   1 ? 
HETATM 2302 O  O   . HOH G 7 .   ? -4.920  -7.525  30.402  1.000 39.584 0 484 HOH A O   1 ? 
HETATM 2303 O  O   . HOH G 7 .   ? -3.272  1.317   28.089  1.000 30.692 0 485 HOH A O   1 ? 
HETATM 2304 O  O   . HOH G 7 .   ? 6.611   -18.075 18.954  1.000 22.755 0 486 HOH A O   1 ? 
HETATM 2305 O  O   . HOH G 7 .   ? -0.611  6.357   4.814   1.000 12.838 0 487 HOH A O   1 ? 
HETATM 2306 O  O   . HOH G 7 .   ? 31.874  -8.607  9.087   1.000 32.065 0 488 HOH A O   1 ? 
HETATM 2307 O  O   . HOH G 7 .   ? 10.681  -17.737 17.359  1.000 21.579 0 489 HOH A O   1 ? 
HETATM 2308 O  O   . HOH G 7 .   ? 8.641   8.488   28.790  1.000 29.277 0 490 HOH A O   1 ? 
HETATM 2309 O  O   . HOH G 7 .   ? 18.726  -2.784  11.640  1.000 14.979 0 491 HOH A O   1 ? 
HETATM 2310 O  O   . HOH G 7 .   ? 19.388  -4.356  -6.790  1.000 37.461 0 492 HOH A O   1 ? 
HETATM 2311 O  O   . HOH G 7 .   ? 5.192   -11.745 24.521  1.000 18.699 0 493 HOH A O   1 ? 
HETATM 2312 O  O   . HOH G 7 .   ? 4.212   -7.838  20.466  1.000 8.583  0 494 HOH A O   1 ? 
HETATM 2313 O  O   . HOH G 7 .   ? 14.006  -8.069  32.708  1.000 15.505 0 495 HOH A O   1 ? 
HETATM 2314 O  O   . HOH G 7 .   ? 7.845   20.860  15.074  1.000 21.350 0 496 HOH A O   1 ? 
HETATM 2315 O  O   . HOH G 7 .   ? -0.291  -6.569  23.617  1.000 11.404 0 497 HOH A O   1 ? 
HETATM 2316 O  O   . HOH G 7 .   ? 0.206   8.399   1.931   1.000 16.541 0 498 HOH A O   1 ? 
HETATM 2317 O  O   . HOH G 7 .   ? 34.592  0.956   24.588  1.000 19.039 0 499 HOH A O   1 ? 
HETATM 2318 O  O   . HOH G 7 .   ? -1.865  1.476   34.749  1.000 29.066 0 500 HOH A O   1 ? 
HETATM 2319 O  O   . HOH G 7 .   ? 17.899  -12.640 25.355  1.000 11.662 0 501 HOH A O   1 ? 
HETATM 2320 O  O   . HOH G 7 .   ? 36.810  -1.597  14.630  1.000 20.198 0 502 HOH A O   1 ? 
HETATM 2321 O  O   . HOH G 7 .   ? 30.459  8.205   18.548  1.000 31.790 0 503 HOH A O   1 ? 
HETATM 2322 O  O   . HOH G 7 .   ? 33.030  0.309   15.940  1.000 20.816 0 504 HOH A O   1 ? 
HETATM 2323 O  O   . HOH G 7 .   ? 28.797  -7.341  -0.002  1.000 34.736 0 505 HOH A O   1 ? 
HETATM 2324 O  O   . HOH G 7 .   ? 7.797   -0.580  -5.912  1.000 26.453 0 506 HOH A O   1 ? 
HETATM 2325 O  O   . HOH G 7 .   ? 17.074  -7.903  31.367  1.000 24.403 0 507 HOH A O   1 ? 
HETATM 2326 O  O   . HOH G 7 .   ? 37.020  3.484   21.096  1.000 20.828 0 508 HOH A O   1 ? 
HETATM 2327 O  O   . HOH G 7 .   ? 35.182  2.902   22.807  1.000 28.077 0 509 HOH A O   1 ? 
HETATM 2328 O  O   . HOH G 7 .   ? -2.083  -10.759 17.213  1.000 26.212 0 510 HOH A O   1 ? 
HETATM 2329 O  O   . HOH G 7 .   ? -6.896  -11.395 15.997  1.000 39.791 0 511 HOH A O   1 ? 
HETATM 2330 O  O   . HOH G 7 .   ? 24.533  5.304   1.365   1.000 27.569 0 512 HOH A O   1 ? 
HETATM 2331 O  O   . HOH G 7 .   ? 8.260   -8.519  -3.268  1.000 30.566 0 513 HOH A O   1 ? 
HETATM 2332 O  O   . HOH G 7 .   ? 30.716  -9.504  1.326   1.000 29.715 0 514 HOH A O   1 ? 
HETATM 2333 O  O   . HOH G 7 .   ? -2.121  -12.820 11.446  1.000 23.260 0 515 HOH A O   1 ? 
HETATM 2334 O  O   . HOH G 7 .   ? 12.561  -15.032 36.851  1.000 20.995 0 516 HOH A O   1 ? 
HETATM 2335 O  O   . HOH G 7 .   ? 17.594  -15.258 24.618  1.000 14.037 0 517 HOH A O   1 ? 
HETATM 2336 O  O   . HOH G 7 .   ? 26.253  -4.300  21.094  1.000 12.346 0 518 HOH A O   1 ? 
HETATM 2337 O  O   . HOH G 7 .   ? -3.717  -7.183  9.254   1.000 19.358 0 519 HOH A O   1 ? 
HETATM 2338 O  O   . HOH G 7 .   ? 5.203   16.614  23.495  1.000 24.460 0 520 HOH A O   1 ? 
HETATM 2339 O  O   . HOH G 7 .   ? 6.483   20.777  17.678  1.000 22.784 0 521 HOH A O   1 ? 
HETATM 2340 O  O   . HOH G 7 .   ? 8.279   -16.354 26.707  1.000 19.987 0 522 HOH A O   1 ? 
HETATM 2341 O  O   . HOH G 7 .   ? 15.295  -4.185  -6.230  1.000 21.152 0 523 HOH A O   1 ? 
HETATM 2342 O  O   . HOH G 7 .   ? -4.411  -15.010 7.782   1.000 26.579 0 524 HOH A O   1 ? 
HETATM 2343 O  O   . HOH G 7 .   ? 15.798  2.824   37.759  1.000 28.903 0 525 HOH A O   1 ? 
HETATM 2344 O  O   . HOH G 7 .   ? 23.860  -10.953 9.769   1.000 23.155 0 526 HOH A O   1 ? 
HETATM 2345 O  O   . HOH G 7 .   ? 12.119  -9.730  -1.122  1.000 21.889 0 527 HOH A O   1 ? 
HETATM 2346 O  O   . HOH G 7 .   ? 13.121  -21.664 10.533  1.000 23.140 0 528 HOH A O   1 ? 
HETATM 2347 O  O   . HOH G 7 .   ? 9.434   3.401   30.774  1.000 18.795 0 529 HOH A O   1 ? 
HETATM 2348 O  O   . HOH G 7 .   ? 22.591  -0.937  29.473  1.000 13.505 0 530 HOH A O   1 ? 
HETATM 2349 O  O   . HOH G 7 .   ? 22.873  9.024   24.214  1.000 24.284 0 531 HOH A O   1 ? 
HETATM 2350 O  O   . HOH G 7 .   ? 26.263  -6.944  22.317  1.000 22.753 0 532 HOH A O   1 ? 
HETATM 2351 O  O   . HOH G 7 .   ? 2.007   10.475  9.055   1.000 14.325 0 533 HOH A O   1 ? 
HETATM 2352 O  O   . HOH G 7 .   ? 19.571  10.834  23.883  1.000 27.051 0 534 HOH A O   1 ? 
HETATM 2353 O  O   . HOH G 7 .   ? 16.321  -18.394 23.321  1.000 40.626 0 535 HOH A O   1 ? 
HETATM 2354 O  O   . HOH G 7 .   ? 25.623  -6.310  8.038   1.000 22.164 0 536 HOH A O   1 ? 
HETATM 2355 O  O   . HOH G 7 .   ? 22.777  -5.767  34.512  1.000 24.539 0 537 HOH A O   1 ? 
HETATM 2356 O  O   . HOH G 7 .   ? 13.495  -18.676 21.989  1.000 28.748 0 538 HOH A O   1 ? 
HETATM 2357 O  O   . HOH G 7 .   ? 29.548  -8.651  16.426  1.000 16.164 0 539 HOH A O   1 ? 
HETATM 2358 O  O   . HOH G 7 .   ? 13.924  -16.603 1.497   1.000 24.970 0 540 HOH A O   1 ? 
HETATM 2359 O  O   . HOH G 7 .   ? 12.109  -5.232  36.023  1.000 19.357 0 541 HOH A O   1 ? 
HETATM 2360 O  O   . HOH G 7 .   ? 21.128  -13.687 22.267  1.000 18.543 0 542 HOH A O   1 ? 
HETATM 2361 O  O   . HOH G 7 .   ? -2.261  -17.730 6.364   1.000 34.496 0 543 HOH A O   1 ? 
HETATM 2362 O  O   . HOH G 7 .   ? 27.459  -12.388 -5.286  1.000 26.765 0 544 HOH A O   1 ? 
HETATM 2363 O  O   . HOH G 7 .   ? 11.928  1.350   43.218  1.000 36.573 0 545 HOH A O   1 ? 
HETATM 2364 O  O   . HOH G 7 .   ? 1.216   14.382  29.142  1.000 35.608 0 546 HOH A O   1 ? 
HETATM 2365 O  O   . HOH G 7 .   ? 10.184  18.370  12.533  1.000 29.331 0 547 HOH A O   1 ? 
HETATM 2366 O  O   . HOH G 7 .   ? 20.989  -7.862  32.879  1.000 26.284 0 548 HOH A O   1 ? 
HETATM 2367 O  O   . HOH G 7 .   ? -3.770  5.467   8.332   1.000 34.054 0 549 HOH A O   1 ? 
HETATM 2368 O  O   . HOH G 7 .   ? 3.693   -6.944  39.523  1.000 32.328 0 550 HOH A O   1 ? 
HETATM 2369 O  O   . HOH G 7 .   ? 14.452  -4.858  37.534  1.000 25.372 0 551 HOH A O   1 ? 
HETATM 2370 O  O   . HOH G 7 .   ? 15.834  1.419   10.380  1.000 23.000 0 552 HOH A O   1 ? 
HETATM 2371 O  O   . HOH G 7 .   ? 19.247  -11.725 22.971  1.000 10.487 0 553 HOH A O   1 ? 
HETATM 2372 O  O   . HOH G 7 .   ? 14.081  2.063   35.194  1.000 23.394 0 554 HOH A O   1 ? 
HETATM 2373 O  O   . HOH G 7 .   ? -2.642  -0.253  3.916   1.000 15.799 0 555 HOH A O   1 ? 
HETATM 2374 O  O   . HOH G 7 .   ? 19.196  8.887   30.844  1.000 20.197 0 556 HOH A O   1 ? 
HETATM 2375 O  O   . HOH G 7 .   ? 22.791  -17.365 14.075  1.000 34.814 0 557 HOH A O   1 ? 
HETATM 2376 O  O   . HOH G 7 .   ? 4.839   -9.294  33.149  1.000 21.184 0 558 HOH A O   1 ? 
HETATM 2377 O  O   . HOH G 7 .   ? 24.540  5.135   11.625  1.000 42.310 0 559 HOH A O   1 ? 
HETATM 2378 O  O   . HOH G 7 .   ? 2.629   -8.300  34.816  1.000 31.997 0 560 HOH A O   1 ? 
HETATM 2379 O  O   . HOH G 7 .   ? 26.279  -0.484  5.442   1.000 37.578 0 561 HOH A O   1 ? 
HETATM 2380 O  O   . HOH G 7 .   ? -2.640  -0.077  26.619  1.000 29.671 0 562 HOH A O   1 ? 
HETATM 2381 O  O   . HOH G 7 .   ? -2.124  0.506   32.326  1.000 24.435 0 563 HOH A O   1 ? 
HETATM 2382 O  O   . HOH G 7 .   ? -2.683  -1.513  28.509  1.000 32.731 0 564 HOH A O   1 ? 
HETATM 2383 O  O   . HOH G 7 .   ? 8.112   -18.041 14.876  1.000 23.393 0 565 HOH A O   1 ? 
HETATM 2384 O  O   . HOH G 7 .   ? 24.131  -14.249 0.852   1.000 25.952 0 566 HOH A O   1 ? 
HETATM 2385 O  O   . HOH G 7 .   ? 35.606  6.468   19.793  1.000 29.752 0 567 HOH A O   1 ? 
HETATM 2386 O  O   . HOH G 7 .   ? 36.186  -9.909  14.342  1.000 33.096 0 568 HOH A O   1 ? 
HETATM 2387 O  O   . HOH G 7 .   ? 28.823  6.812   21.832  1.000 15.413 0 569 HOH A O   1 ? 
HETATM 2388 O  O   . HOH G 7 .   ? 11.607  15.997  12.407  1.000 21.898 0 570 HOH A O   1 ? 
HETATM 2389 O  O   . HOH G 7 .   ? 34.258  -2.999  13.240  1.000 34.959 0 571 HOH A O   1 ? 
HETATM 2390 O  O   . HOH G 7 .   ? -2.013  -11.076 14.253  1.000 21.701 0 572 HOH A O   1 ? 
HETATM 2391 O  O   . HOH G 7 .   ? -6.417  -9.945  22.783  1.000 36.017 0 573 HOH A O   1 ? 
HETATM 2392 O  O   . HOH G 7 .   ? 11.815  -7.273  34.263  1.000 20.040 0 574 HOH A O   1 ? 
HETATM 2393 O  O   . HOH G 7 .   ? -1.174  -18.066 13.848  1.000 30.125 0 575 HOH A O   1 ? 
HETATM 2394 O  O   . HOH G 7 .   ? 16.615  -16.088 1.257   1.000 34.006 0 576 HOH A O   1 ? 
HETATM 2395 O  O   . HOH G 7 .   ? 31.544  -1.870  13.787  1.000 25.830 0 577 HOH A O   1 ? 
HETATM 2396 O  O   . HOH G 7 .   ? 13.952  -8.377  -2.243  1.000 35.095 0 578 HOH A O   1 ? 
HETATM 2397 O  O   . HOH G 7 .   ? 3.577   20.438  17.796  1.000 37.026 0 579 HOH A O   1 ? 
HETATM 2398 O  O   . HOH G 7 .   ? 3.780   -16.264 22.010  1.000 25.092 0 580 HOH A O   1 ? 
HETATM 2399 O  O   . HOH G 7 .   ? 29.677  4.024   28.188  1.000 33.448 0 581 HOH A O   1 ? 
HETATM 2400 O  O   . HOH G 7 .   ? 27.679  -5.664  6.458   1.000 38.173 0 582 HOH A O   1 ? 
HETATM 2401 O  O   . HOH G 7 .   ? 3.269   -11.684 31.354  1.000 35.428 0 583 HOH A O   1 ? 
HETATM 2402 O  O   . HOH G 7 .   ? 17.139  -0.525  12.052  1.000 19.967 0 584 HOH A O   1 ? 
HETATM 2403 O  O   . HOH G 7 .   ? 8.400   -16.702 17.068  1.000 20.536 0 585 HOH A O   1 ? 
HETATM 2404 O  O   . HOH G 7 .   ? 19.260  -11.777 31.720  1.000 31.814 0 586 HOH A O   1 ? 
HETATM 2405 O  O   . HOH G 7 .   ? -4.926  -5.982  33.666  1.000 31.912 0 587 HOH A O   1 ? 
HETATM 2406 O  O   . HOH G 7 .   ? 20.047  -17.182 18.087  1.000 31.090 0 588 HOH A O   1 ? 
HETATM 2407 O  O   . HOH G 7 .   ? 8.221   14.758  5.389   1.000 45.426 0 589 HOH A O   1 ? 
HETATM 2408 O  O   . HOH G 7 .   ? 23.984  -12.790 8.280   1.000 33.111 0 590 HOH A O   1 ? 
HETATM 2409 O  O   . HOH G 7 .   ? 30.035  -4.161  23.758  1.000 31.044 0 591 HOH A O   1 ? 
HETATM 2410 O  O   . HOH G 7 .   ? 32.106  -6.759  7.098   1.000 40.352 0 592 HOH A O   1 ? 
HETATM 2411 O  O   . HOH G 7 .   ? -2.382  -2.717  4.103   1.000 28.771 0 593 HOH A O   1 ? 
HETATM 2412 O  O   . HOH G 7 .   ? 19.810  -12.558 27.335  1.000 24.227 0 594 HOH A O   1 ? 
HETATM 2413 O  O   . HOH G 7 .   ? 35.721  0.823   15.044  1.000 27.256 0 595 HOH A O   1 ? 
HETATM 2414 O  O   . HOH G 7 .   ? 12.805  7.344   3.532   1.000 31.018 0 596 HOH A O   1 ? 
HETATM 2415 O  O   . HOH G 7 .   ? 10.729  5.788   30.737  1.000 32.676 0 597 HOH A O   1 ? 
HETATM 2416 O  O   . HOH G 7 .   ? 31.231  0.395   14.460  1.000 29.258 0 598 HOH A O   1 ? 
HETATM 2417 O  O   . HOH G 7 .   ? 25.447  6.840   13.292  1.000 35.939 0 599 HOH A O   1 ? 
HETATM 2418 O  O   . HOH G 7 .   ? -5.046  -2.237  7.229   1.000 33.798 0 600 HOH A O   1 ? 
HETATM 2419 O  O   . HOH G 7 .   ? 16.360  -9.248  33.620  1.000 29.523 0 601 HOH A O   1 ? 
HETATM 2420 O  O   . HOH G 7 .   ? 27.827  -4.916  27.617  1.000 31.878 0 602 HOH A O   1 ? 
HETATM 2421 O  O   . HOH G 7 .   ? 9.931   -10.698 -2.701  1.000 33.760 0 603 HOH A O   1 ? 
HETATM 2422 O  O   . HOH G 7 .   ? 4.469   -13.356 26.399  1.000 29.547 0 604 HOH A O   1 ? 
HETATM 2423 O  O   . HOH G 7 .   ? 27.357  -10.372 15.998  1.000 34.091 0 605 HOH A O   1 ? 
HETATM 2424 O  O   . HOH G 7 .   ? 3.926   -13.701 37.732  1.000 29.408 0 606 HOH A O   1 ? 
HETATM 2425 O  O   . HOH G 7 .   ? 11.927  3.681   34.730  1.000 23.776 0 607 HOH A O   1 ? 
HETATM 2426 O  O   . HOH G 7 .   ? 25.354  8.959   22.524  1.000 34.636 0 608 HOH A O   1 ? 
HETATM 2427 O  O   . HOH G 7 .   ? 20.044  -10.601 29.160  1.000 20.556 0 609 HOH A O   1 ? 
HETATM 2428 O  O   . HOH G 7 .   ? 19.252  -16.998 25.615  1.000 26.970 0 610 HOH A O   1 ? 
HETATM 2429 O  O   . HOH G 7 .   ? 4.556   -13.949 28.680  1.000 36.404 0 611 HOH A O   1 ? 
HETATM 2430 O  O   . HOH G 7 .   ? 23.280  -13.571 20.654  1.000 30.251 0 612 HOH A O   1 ? 
HETATM 2431 O  O   . HOH G 7 .   ? 14.040  -9.797  -4.580  1.000 31.820 0 613 HOH A O   1 ? 
HETATM 2432 O  O   . HOH G 7 .   ? 27.834  5.757   29.638  1.000 34.871 0 614 HOH A O   1 ? 
HETATM 2433 O  O   . HOH G 7 .   ? 27.793  8.995   18.342  1.000 33.172 0 615 HOH A O   1 ? 
HETATM 2434 O  O   . HOH G 7 .   ? 15.913  1.522   43.376  1.000 33.761 0 616 HOH A O   1 ? 
HETATM 2435 O  O   . HOH G 7 .   ? 33.101  1.070   28.778  1.000 35.796 0 617 HOH A O   1 ? 
HETATM 2436 O  O   . HOH G 7 .   ? 27.214  -7.330  4.981   1.000 38.772 0 618 HOH A O   1 ? 
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