data_8R2K
# 
_entry.id   8R2K 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.398 
_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   8R2K         pdb_00008r2k 10.2210/pdb8r2k/pdb 
WWPDB D_1292134499 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-11-13 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8R2K 
_pdbx_database_status.recvd_initial_deposition_date   2023-11-06 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              andrea.angeli@unifi.it 
_pdbx_contact_author.name_first         Andrea 
_pdbx_contact_author.name_last          Angeli 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-1470-7192 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Angeli, A.'    1 0000-0002-1470-7192 
'Ferraroni, M.' 2 0000-0001-7258-738X 
# 
_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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Human Carbonic Anhydrase II in complex with 4-((2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-yl)amino)benzenesulfonamide' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Angeli, A.'    1 0000-0002-1470-7192 
primary 'Ferraroni, M.' 2 0000-0001-7258-738X 
# 
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'                                                                             29289.062 1   
4.2.1.1 ? ? ? 
2 non-polymer syn GLYCEROL                                                                                           92.094    1   
?       ? ? ? 
3 non-polymer syn 'ZINC ION'                                                                                         65.409    1   
?       ? ? ? 
4 non-polymer syn '4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide' 420.436   1   
?       ? ? ? 
5 water       nat water                                                                                              18.015    193 
?       ? ? ? 
# 
_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       
;MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLK
GGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVV
DVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELM
VDNWRPAQPLKNRQIKASFK
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLK
GGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVV
DVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELM
VDNWRPAQPLKNRQIKASFK
;
_entity_poly.pdbx_strand_id                 AAA 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 GLYCEROL                                                                                           GOL 
3 'ZINC ION'                                                                                         ZN  
4 '4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide' XPI 
5 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  ALA n 
1 66  PHE n 
1 67  ASN n 
1 68  VAL n 
1 69  GLU 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  ILE 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 PHE n 
1 131 GLY n 
1 132 LYS n 
1 133 ALA n 
1 134 VAL 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 LYS 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 LEU n 
1 204 GLU n 
1 205 CYS 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 
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 
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 
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 
XPI non-polymer         . '4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide' ? 
'C19 H20 N2 O7 S' 420.436 
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   ?   ?   ?   AAA . n 
A 1 2   SER 2   2   ?   ?   ?   AAA . n 
A 1 3   HIS 3   3   3   HIS HIS AAA . n 
A 1 4   HIS 4   4   4   HIS HIS AAA . n 
A 1 5   TRP 5   5   5   TRP TRP AAA . n 
A 1 6   GLY 6   6   6   GLY GLY AAA . n 
A 1 7   TYR 7   7   7   TYR TYR AAA . n 
A 1 8   GLY 8   8   8   GLY GLY AAA . n 
A 1 9   LYS 9   9   9   LYS LYS AAA . n 
A 1 10  HIS 10  10  10  HIS HIS AAA . n 
A 1 11  ASN 11  11  11  ASN ASN AAA . n 
A 1 12  GLY 12  12  12  GLY GLY AAA . n 
A 1 13  PRO 13  13  13  PRO PRO AAA . n 
A 1 14  GLU 14  14  14  GLU GLU AAA . n 
A 1 15  HIS 15  15  15  HIS HIS AAA . n 
A 1 16  TRP 16  16  16  TRP TRP AAA . n 
A 1 17  HIS 17  17  17  HIS HIS AAA . n 
A 1 18  LYS 18  18  18  LYS LYS AAA . n 
A 1 19  ASP 19  19  19  ASP ASP AAA . n 
A 1 20  PHE 20  20  20  PHE PHE AAA . n 
A 1 21  PRO 21  21  21  PRO PRO AAA . n 
A 1 22  ILE 22  22  22  ILE ILE AAA . n 
A 1 23  ALA 23  23  23  ALA ALA AAA . n 
A 1 24  LYS 24  24  24  LYS LYS AAA . n 
A 1 25  GLY 25  25  25  GLY GLY AAA . n 
A 1 26  GLU 26  26  26  GLU GLU AAA . n 
A 1 27  ARG 27  27  27  ARG ARG AAA . n 
A 1 28  GLN 28  28  28  GLN GLN AAA . n 
A 1 29  SER 29  29  29  SER SER AAA . n 
A 1 30  PRO 30  30  30  PRO PRO AAA . n 
A 1 31  VAL 31  31  31  VAL VAL AAA . n 
A 1 32  ASP 32  32  32  ASP ASP AAA . n 
A 1 33  ILE 33  33  33  ILE ILE AAA . n 
A 1 34  ASP 34  34  34  ASP ASP AAA . n 
A 1 35  THR 35  35  35  THR THR AAA . n 
A 1 36  HIS 36  36  36  HIS HIS AAA . n 
A 1 37  THR 37  37  37  THR THR AAA . n 
A 1 38  ALA 38  38  38  ALA ALA AAA . n 
A 1 39  LYS 39  39  39  LYS LYS AAA . n 
A 1 40  TYR 40  40  40  TYR TYR AAA . n 
A 1 41  ASP 41  41  41  ASP ASP AAA . n 
A 1 42  PRO 42  42  42  PRO PRO AAA . n 
A 1 43  SER 43  43  43  SER SER AAA . n 
A 1 44  LEU 44  44  44  LEU LEU AAA . n 
A 1 45  LYS 45  45  45  LYS LYS AAA . n 
A 1 46  PRO 46  46  46  PRO PRO AAA . n 
A 1 47  LEU 47  47  47  LEU LEU AAA . n 
A 1 48  SER 48  48  48  SER SER AAA . n 
A 1 49  VAL 49  49  49  VAL VAL AAA . n 
A 1 50  SER 50  50  50  SER SER AAA . n 
A 1 51  TYR 51  51  51  TYR TYR AAA . n 
A 1 52  ASP 52  52  52  ASP ASP AAA . n 
A 1 53  GLN 53  53  53  GLN GLN AAA . n 
A 1 54  ALA 54  54  54  ALA ALA AAA . n 
A 1 55  THR 55  55  55  THR THR AAA . n 
A 1 56  SER 56  56  56  SER SER AAA . n 
A 1 57  LEU 57  57  57  LEU LEU AAA . n 
A 1 58  ARG 58  58  58  ARG ARG AAA . n 
A 1 59  ILE 59  59  59  ILE ILE AAA . n 
A 1 60  LEU 60  60  60  LEU LEU AAA . n 
A 1 61  ASN 61  61  61  ASN ASN AAA . n 
A 1 62  ASN 62  62  62  ASN ASN AAA . n 
A 1 63  GLY 63  63  63  GLY GLY AAA . n 
A 1 64  HIS 64  64  64  HIS HIS AAA . n 
A 1 65  ALA 65  65  65  ALA ALA AAA . n 
A 1 66  PHE 66  66  66  PHE PHE AAA . n 
A 1 67  ASN 67  67  67  ASN ASN AAA . n 
A 1 68  VAL 68  68  68  VAL VAL AAA . n 
A 1 69  GLU 69  69  69  GLU GLU AAA . n 
A 1 70  PHE 70  70  70  PHE PHE AAA . n 
A 1 71  ASP 71  71  71  ASP ASP AAA . n 
A 1 72  ASP 72  72  72  ASP ASP AAA . n 
A 1 73  SER 73  73  73  SER SER AAA . n 
A 1 74  GLN 74  74  74  GLN GLN AAA . n 
A 1 75  ASP 75  75  75  ASP ASP AAA . n 
A 1 76  LYS 76  76  76  LYS LYS AAA . n 
A 1 77  ALA 77  77  77  ALA ALA AAA . n 
A 1 78  VAL 78  78  78  VAL VAL AAA . n 
A 1 79  LEU 79  79  79  LEU LEU AAA . n 
A 1 80  LYS 80  80  80  LYS LYS AAA . n 
A 1 81  GLY 81  81  81  GLY GLY AAA . n 
A 1 82  GLY 82  82  82  GLY GLY AAA . n 
A 1 83  PRO 83  83  83  PRO PRO AAA . n 
A 1 84  LEU 84  84  84  LEU LEU AAA . n 
A 1 85  ASP 85  85  85  ASP ASP AAA . n 
A 1 86  GLY 86  86  86  GLY GLY AAA . n 
A 1 87  THR 87  87  87  THR THR AAA . n 
A 1 88  TYR 88  88  88  TYR TYR AAA . n 
A 1 89  ARG 89  89  89  ARG ARG AAA . n 
A 1 90  LEU 90  90  90  LEU LEU AAA . n 
A 1 91  ILE 91  91  91  ILE ILE AAA . n 
A 1 92  GLN 92  92  92  GLN GLN AAA . n 
A 1 93  PHE 93  93  93  PHE PHE AAA . n 
A 1 94  HIS 94  94  94  HIS HIS AAA . n 
A 1 95  PHE 95  95  95  PHE PHE AAA . n 
A 1 96  HIS 96  96  96  HIS HIS AAA . n 
A 1 97  TRP 97  97  97  TRP TRP AAA . n 
A 1 98  GLY 98  98  98  GLY GLY AAA . n 
A 1 99  SER 99  99  99  SER SER AAA . n 
A 1 100 LEU 100 100 100 LEU LEU AAA . n 
A 1 101 ASP 101 101 101 ASP ASP AAA . n 
A 1 102 GLY 102 102 102 GLY GLY AAA . n 
A 1 103 GLN 103 103 103 GLN GLN AAA . n 
A 1 104 GLY 104 104 104 GLY GLY AAA . n 
A 1 105 SER 105 105 105 SER SER AAA . n 
A 1 106 GLU 106 106 106 GLU GLU AAA . n 
A 1 107 HIS 107 107 107 HIS HIS AAA . n 
A 1 108 THR 108 108 108 THR THR AAA . n 
A 1 109 VAL 109 109 109 VAL VAL AAA . n 
A 1 110 ASP 110 110 110 ASP ASP AAA . n 
A 1 111 LYS 111 111 111 LYS LYS AAA . n 
A 1 112 LYS 112 112 112 LYS LYS AAA . n 
A 1 113 LYS 113 113 113 LYS LYS AAA . n 
A 1 114 TYR 114 114 114 TYR TYR AAA . n 
A 1 115 ALA 115 115 115 ALA ALA AAA . n 
A 1 116 ALA 116 116 116 ALA ALA AAA . n 
A 1 117 GLU 117 117 117 GLU GLU AAA . n 
A 1 118 LEU 118 118 118 LEU LEU AAA . n 
A 1 119 HIS 119 119 119 HIS HIS AAA . n 
A 1 120 LEU 120 120 120 LEU LEU AAA . n 
A 1 121 VAL 121 121 121 VAL VAL AAA . n 
A 1 122 HIS 122 122 122 HIS HIS AAA . n 
A 1 123 TRP 123 123 123 TRP TRP AAA . n 
A 1 124 ASN 124 124 124 ASN ASN AAA . n 
A 1 125 THR 125 125 125 THR THR AAA . n 
A 1 126 LYS 126 126 126 LYS LYS AAA . n 
A 1 127 TYR 127 128 128 TYR TYR AAA . n 
A 1 128 GLY 128 129 129 GLY GLY AAA . n 
A 1 129 ASP 129 130 130 ASP ASP AAA . n 
A 1 130 PHE 130 131 131 PHE PHE AAA . n 
A 1 131 GLY 131 132 132 GLY GLY AAA . n 
A 1 132 LYS 132 133 133 LYS LYS AAA . n 
A 1 133 ALA 133 134 134 ALA ALA AAA . n 
A 1 134 VAL 134 135 135 VAL VAL AAA . n 
A 1 135 GLN 135 136 136 GLN GLN AAA . n 
A 1 136 GLN 136 137 137 GLN GLN AAA . n 
A 1 137 PRO 137 138 138 PRO PRO AAA . n 
A 1 138 ASP 138 139 139 ASP ASP AAA . n 
A 1 139 GLY 139 140 140 GLY GLY AAA . n 
A 1 140 LEU 140 141 141 LEU LEU AAA . n 
A 1 141 ALA 141 142 142 ALA ALA AAA . n 
A 1 142 VAL 142 143 143 VAL VAL AAA . n 
A 1 143 LEU 143 144 144 LEU LEU AAA . n 
A 1 144 GLY 144 145 145 GLY GLY AAA . n 
A 1 145 ILE 145 146 146 ILE ILE AAA . n 
A 1 146 PHE 146 147 147 PHE PHE AAA . n 
A 1 147 LEU 147 148 148 LEU LEU AAA . n 
A 1 148 LYS 148 149 149 LYS LYS AAA . n 
A 1 149 VAL 149 150 150 VAL VAL AAA . n 
A 1 150 GLY 150 151 151 GLY GLY AAA . n 
A 1 151 SER 151 152 152 SER SER AAA . n 
A 1 152 ALA 152 153 153 ALA ALA AAA . n 
A 1 153 LYS 153 154 154 LYS LYS AAA . n 
A 1 154 PRO 154 155 155 PRO PRO AAA . n 
A 1 155 GLY 155 156 156 GLY GLY AAA . n 
A 1 156 LEU 156 157 157 LEU LEU AAA . n 
A 1 157 GLN 157 158 158 GLN GLN AAA . n 
A 1 158 LYS 158 159 159 LYS LYS AAA . n 
A 1 159 VAL 159 160 160 VAL VAL AAA . n 
A 1 160 VAL 160 161 161 VAL VAL AAA . n 
A 1 161 ASP 161 162 162 ASP ASP AAA . n 
A 1 162 VAL 162 163 163 VAL VAL AAA . n 
A 1 163 LEU 163 164 164 LEU LEU AAA . n 
A 1 164 ASP 164 165 165 ASP ASP AAA . n 
A 1 165 SER 165 166 166 SER SER AAA . n 
A 1 166 ILE 166 167 167 ILE ILE AAA . n 
A 1 167 LYS 167 168 168 LYS LYS AAA . n 
A 1 168 THR 168 169 169 THR THR AAA . n 
A 1 169 LYS 169 170 170 LYS LYS AAA . n 
A 1 170 GLY 170 171 171 GLY GLY AAA . n 
A 1 171 LYS 171 172 172 LYS LYS AAA . n 
A 1 172 SER 172 173 173 SER SER AAA . n 
A 1 173 ALA 173 174 174 ALA ALA AAA . n 
A 1 174 ASP 174 175 175 ASP ASP AAA . n 
A 1 175 PHE 175 176 176 PHE PHE AAA . n 
A 1 176 THR 176 177 177 THR THR AAA . n 
A 1 177 ASN 177 178 178 ASN ASN AAA . n 
A 1 178 PHE 178 179 179 PHE PHE AAA . n 
A 1 179 ASP 179 180 180 ASP ASP AAA . n 
A 1 180 PRO 180 181 181 PRO PRO AAA . n 
A 1 181 ARG 181 182 182 ARG ARG AAA . n 
A 1 182 GLY 182 183 183 GLY GLY AAA . n 
A 1 183 LEU 183 184 184 LEU LEU AAA . n 
A 1 184 LEU 184 185 185 LEU LEU AAA . n 
A 1 185 PRO 185 186 186 PRO PRO AAA . n 
A 1 186 GLU 186 187 187 GLU GLU AAA . n 
A 1 187 SER 187 188 188 SER SER AAA . n 
A 1 188 LEU 188 189 189 LEU LEU AAA . n 
A 1 189 ASP 189 190 190 ASP ASP AAA . n 
A 1 190 TYR 190 191 191 TYR TYR AAA . n 
A 1 191 TRP 191 192 192 TRP TRP AAA . n 
A 1 192 THR 192 193 193 THR THR AAA . n 
A 1 193 TYR 193 194 194 TYR TYR AAA . n 
A 1 194 PRO 194 195 195 PRO PRO AAA . n 
A 1 195 GLY 195 196 196 GLY GLY AAA . n 
A 1 196 SER 196 197 197 SER SER AAA . n 
A 1 197 LEU 197 198 198 LEU LEU AAA . n 
A 1 198 THR 198 199 199 THR THR AAA . n 
A 1 199 THR 199 200 200 THR THR AAA . n 
A 1 200 PRO 200 201 201 PRO PRO AAA . n 
A 1 201 PRO 201 202 202 PRO PRO AAA . n 
A 1 202 LEU 202 203 203 LEU LEU AAA . n 
A 1 203 LEU 203 204 204 LEU LEU AAA . n 
A 1 204 GLU 204 205 205 GLU GLU AAA . n 
A 1 205 CYS 205 206 206 CYS CYS AAA . n 
A 1 206 VAL 206 207 207 VAL VAL AAA . n 
A 1 207 THR 207 208 208 THR THR AAA . n 
A 1 208 TRP 208 209 209 TRP TRP AAA . n 
A 1 209 ILE 209 210 210 ILE ILE AAA . n 
A 1 210 VAL 210 211 211 VAL VAL AAA . n 
A 1 211 LEU 211 212 212 LEU LEU AAA . n 
A 1 212 LYS 212 213 213 LYS LYS AAA . n 
A 1 213 GLU 213 214 214 GLU GLU AAA . n 
A 1 214 PRO 214 215 215 PRO PRO AAA . n 
A 1 215 ILE 215 216 216 ILE ILE AAA . n 
A 1 216 SER 216 217 217 SER SER AAA . n 
A 1 217 VAL 217 218 218 VAL VAL AAA . n 
A 1 218 SER 218 219 219 SER SER AAA . n 
A 1 219 SER 219 220 220 SER SER AAA . n 
A 1 220 GLU 220 221 221 GLU GLU AAA . n 
A 1 221 GLN 221 222 222 GLN GLN AAA . n 
A 1 222 VAL 222 223 223 VAL VAL AAA . n 
A 1 223 LEU 223 224 224 LEU LEU AAA . n 
A 1 224 LYS 224 225 225 LYS LYS AAA . n 
A 1 225 PHE 225 226 226 PHE PHE AAA . n 
A 1 226 ARG 226 227 227 ARG ARG AAA . n 
A 1 227 LYS 227 228 228 LYS LYS AAA . n 
A 1 228 LEU 228 229 229 LEU LEU AAA . n 
A 1 229 ASN 229 230 230 ASN ASN AAA . n 
A 1 230 PHE 230 231 231 PHE PHE AAA . n 
A 1 231 ASN 231 232 232 ASN ASN AAA . n 
A 1 232 GLY 232 233 233 GLY GLY AAA . n 
A 1 233 GLU 233 234 234 GLU GLU AAA . n 
A 1 234 GLY 234 235 235 GLY GLY AAA . n 
A 1 235 GLU 235 236 236 GLU GLU AAA . n 
A 1 236 PRO 236 237 237 PRO PRO AAA . n 
A 1 237 GLU 237 238 238 GLU GLU AAA . n 
A 1 238 GLU 238 239 239 GLU GLU AAA . n 
A 1 239 LEU 239 240 240 LEU LEU AAA . n 
A 1 240 MET 240 241 241 MET MET AAA . n 
A 1 241 VAL 241 242 242 VAL VAL AAA . n 
A 1 242 ASP 242 243 243 ASP ASP AAA . n 
A 1 243 ASN 243 244 244 ASN ASN AAA . n 
A 1 244 TRP 244 245 245 TRP TRP AAA . n 
A 1 245 ARG 245 246 246 ARG ARG AAA . n 
A 1 246 PRO 246 247 247 PRO PRO AAA . n 
A 1 247 ALA 247 248 248 ALA ALA AAA . n 
A 1 248 GLN 248 249 249 GLN GLN AAA . n 
A 1 249 PRO 249 250 250 PRO PRO AAA . n 
A 1 250 LEU 250 251 251 LEU LEU AAA . n 
A 1 251 LYS 251 252 252 LYS LYS AAA . n 
A 1 252 ASN 252 253 253 ASN ASN AAA . n 
A 1 253 ARG 253 254 254 ARG ARG AAA . n 
A 1 254 GLN 254 255 255 GLN GLN AAA . n 
A 1 255 ILE 255 256 256 ILE ILE AAA . n 
A 1 256 LYS 256 257 257 LYS LYS AAA . n 
A 1 257 ALA 257 258 258 ALA ALA AAA . n 
A 1 258 SER 258 259 259 SER SER AAA . n 
A 1 259 PHE 259 260 260 PHE PHE AAA . n 
A 1 260 LYS 260 261 261 LYS LYS AAA . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        XPI 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   XPI 
_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 GOL 1   301 302 GOL GOL AAA . 
C 3 ZN  1   302 1   ZN  ZN  AAA . 
D 4 XPI 1   303 301 XPI QC1 AAA . 
E 5 HOH 1   401 228 HOH HOH AAA . 
E 5 HOH 2   402 97  HOH HOH AAA . 
E 5 HOH 3   403 68  HOH HOH AAA . 
E 5 HOH 4   404 184 HOH HOH AAA . 
E 5 HOH 5   405 73  HOH HOH AAA . 
E 5 HOH 6   406 64  HOH HOH AAA . 
E 5 HOH 7   407 221 HOH HOH AAA . 
E 5 HOH 8   408 102 HOH HOH AAA . 
E 5 HOH 9   409 210 HOH HOH AAA . 
E 5 HOH 10  410 84  HOH HOH AAA . 
E 5 HOH 11  411 230 HOH HOH AAA . 
E 5 HOH 12  412 101 HOH HOH AAA . 
E 5 HOH 13  413 10  HOH HOH AAA . 
E 5 HOH 14  414 15  HOH HOH AAA . 
E 5 HOH 15  415 148 HOH HOH AAA . 
E 5 HOH 16  416 171 HOH HOH AAA . 
E 5 HOH 17  417 89  HOH HOH AAA . 
E 5 HOH 18  418 125 HOH HOH AAA . 
E 5 HOH 19  419 83  HOH HOH AAA . 
E 5 HOH 20  420 183 HOH HOH AAA . 
E 5 HOH 21  421 17  HOH HOH AAA . 
E 5 HOH 22  422 40  HOH HOH AAA . 
E 5 HOH 23  423 23  HOH HOH AAA . 
E 5 HOH 24  424 105 HOH HOH AAA . 
E 5 HOH 25  425 127 HOH HOH AAA . 
E 5 HOH 26  426 60  HOH HOH AAA . 
E 5 HOH 27  427 120 HOH HOH AAA . 
E 5 HOH 28  428 14  HOH HOH AAA . 
E 5 HOH 29  429 5   HOH HOH AAA . 
E 5 HOH 30  430 93  HOH HOH AAA . 
E 5 HOH 31  431 34  HOH HOH AAA . 
E 5 HOH 32  432 63  HOH HOH AAA . 
E 5 HOH 33  433 157 HOH HOH AAA . 
E 5 HOH 34  434 81  HOH HOH AAA . 
E 5 HOH 35  435 46  HOH HOH AAA . 
E 5 HOH 36  436 98  HOH HOH AAA . 
E 5 HOH 37  437 7   HOH HOH AAA . 
E 5 HOH 38  438 32  HOH HOH AAA . 
E 5 HOH 39  439 194 HOH HOH AAA . 
E 5 HOH 40  440 53  HOH HOH AAA . 
E 5 HOH 41  441 11  HOH HOH AAA . 
E 5 HOH 42  442 67  HOH HOH AAA . 
E 5 HOH 43  443 18  HOH HOH AAA . 
E 5 HOH 44  444 3   HOH HOH AAA . 
E 5 HOH 45  445 94  HOH HOH AAA . 
E 5 HOH 46  446 66  HOH HOH AAA . 
E 5 HOH 47  447 82  HOH HOH AAA . 
E 5 HOH 48  448 107 HOH HOH AAA . 
E 5 HOH 49  449 54  HOH HOH AAA . 
E 5 HOH 50  450 232 HOH HOH AAA . 
E 5 HOH 51  451 45  HOH HOH AAA . 
E 5 HOH 52  452 242 HOH HOH AAA . 
E 5 HOH 53  453 57  HOH HOH AAA . 
E 5 HOH 54  454 22  HOH HOH AAA . 
E 5 HOH 55  455 114 HOH HOH AAA . 
E 5 HOH 56  456 51  HOH HOH AAA . 
E 5 HOH 57  457 90  HOH HOH AAA . 
E 5 HOH 58  458 77  HOH HOH AAA . 
E 5 HOH 59  459 27  HOH HOH AAA . 
E 5 HOH 60  460 132 HOH HOH AAA . 
E 5 HOH 61  461 31  HOH HOH AAA . 
E 5 HOH 62  462 56  HOH HOH AAA . 
E 5 HOH 63  463 78  HOH HOH AAA . 
E 5 HOH 64  464 65  HOH HOH AAA . 
E 5 HOH 65  465 49  HOH HOH AAA . 
E 5 HOH 66  466 165 HOH HOH AAA . 
E 5 HOH 67  467 96  HOH HOH AAA . 
E 5 HOH 68  468 16  HOH HOH AAA . 
E 5 HOH 69  469 21  HOH HOH AAA . 
E 5 HOH 70  470 19  HOH HOH AAA . 
E 5 HOH 71  471 188 HOH HOH AAA . 
E 5 HOH 72  472 135 HOH HOH AAA . 
E 5 HOH 73  473 72  HOH HOH AAA . 
E 5 HOH 74  474 104 HOH HOH AAA . 
E 5 HOH 75  475 162 HOH HOH AAA . 
E 5 HOH 76  476 48  HOH HOH AAA . 
E 5 HOH 77  477 80  HOH HOH AAA . 
E 5 HOH 78  478 4   HOH HOH AAA . 
E 5 HOH 79  479 44  HOH HOH AAA . 
E 5 HOH 80  480 139 HOH HOH AAA . 
E 5 HOH 81  481 47  HOH HOH AAA . 
E 5 HOH 82  482 2   HOH HOH AAA . 
E 5 HOH 83  483 119 HOH HOH AAA . 
E 5 HOH 84  484 6   HOH HOH AAA . 
E 5 HOH 85  485 189 HOH HOH AAA . 
E 5 HOH 86  486 41  HOH HOH AAA . 
E 5 HOH 87  487 126 HOH HOH AAA . 
E 5 HOH 88  488 86  HOH HOH AAA . 
E 5 HOH 89  489 25  HOH HOH AAA . 
E 5 HOH 90  490 36  HOH HOH AAA . 
E 5 HOH 91  491 108 HOH HOH AAA . 
E 5 HOH 92  492 149 HOH HOH AAA . 
E 5 HOH 93  493 146 HOH HOH AAA . 
E 5 HOH 94  494 50  HOH HOH AAA . 
E 5 HOH 95  495 166 HOH HOH AAA . 
E 5 HOH 96  496 236 HOH HOH AAA . 
E 5 HOH 97  497 113 HOH HOH AAA . 
E 5 HOH 98  498 30  HOH HOH AAA . 
E 5 HOH 99  499 62  HOH HOH AAA . 
E 5 HOH 100 500 134 HOH HOH AAA . 
E 5 HOH 101 501 103 HOH HOH AAA . 
E 5 HOH 102 502 231 HOH HOH AAA . 
E 5 HOH 103 503 234 HOH HOH AAA . 
E 5 HOH 104 504 58  HOH HOH AAA . 
E 5 HOH 105 505 59  HOH HOH AAA . 
E 5 HOH 106 506 143 HOH HOH AAA . 
E 5 HOH 107 507 43  HOH HOH AAA . 
E 5 HOH 108 508 150 HOH HOH AAA . 
E 5 HOH 109 509 95  HOH HOH AAA . 
E 5 HOH 110 510 8   HOH HOH AAA . 
E 5 HOH 111 511 69  HOH HOH AAA . 
E 5 HOH 112 512 124 HOH HOH AAA . 
E 5 HOH 113 513 187 HOH HOH AAA . 
E 5 HOH 114 514 237 HOH HOH AAA . 
E 5 HOH 115 515 233 HOH HOH AAA . 
E 5 HOH 116 516 35  HOH HOH AAA . 
E 5 HOH 117 517 116 HOH HOH AAA . 
E 5 HOH 118 518 42  HOH HOH AAA . 
E 5 HOH 119 519 219 HOH HOH AAA . 
E 5 HOH 120 520 174 HOH HOH AAA . 
E 5 HOH 121 521 240 HOH HOH AAA . 
E 5 HOH 122 522 13  HOH HOH AAA . 
E 5 HOH 123 523 24  HOH HOH AAA . 
E 5 HOH 124 524 61  HOH HOH AAA . 
E 5 HOH 125 525 128 HOH HOH AAA . 
E 5 HOH 126 526 79  HOH HOH AAA . 
E 5 HOH 127 527 29  HOH HOH AAA . 
E 5 HOH 128 528 235 HOH HOH AAA . 
E 5 HOH 129 529 39  HOH HOH AAA . 
E 5 HOH 130 530 9   HOH HOH AAA . 
E 5 HOH 131 531 167 HOH HOH AAA . 
E 5 HOH 132 532 92  HOH HOH AAA . 
E 5 HOH 133 533 123 HOH HOH AAA . 
E 5 HOH 134 534 110 HOH HOH AAA . 
E 5 HOH 135 535 140 HOH HOH AAA . 
E 5 HOH 136 536 87  HOH HOH AAA . 
E 5 HOH 137 537 241 HOH HOH AAA . 
E 5 HOH 138 538 192 HOH HOH AAA . 
E 5 HOH 139 539 28  HOH HOH AAA . 
E 5 HOH 140 540 204 HOH HOH AAA . 
E 5 HOH 141 541 88  HOH HOH AAA . 
E 5 HOH 142 542 151 HOH HOH AAA . 
E 5 HOH 143 543 239 HOH HOH AAA . 
E 5 HOH 144 544 20  HOH HOH AAA . 
E 5 HOH 145 545 193 HOH HOH AAA . 
E 5 HOH 146 546 111 HOH HOH AAA . 
E 5 HOH 147 547 38  HOH HOH AAA . 
E 5 HOH 148 548 76  HOH HOH AAA . 
E 5 HOH 149 549 55  HOH HOH AAA . 
E 5 HOH 150 550 26  HOH HOH AAA . 
E 5 HOH 151 551 70  HOH HOH AAA . 
E 5 HOH 152 552 164 HOH HOH AAA . 
E 5 HOH 153 553 71  HOH HOH AAA . 
E 5 HOH 154 554 145 HOH HOH AAA . 
E 5 HOH 155 555 160 HOH HOH AAA . 
E 5 HOH 156 556 12  HOH HOH AAA . 
E 5 HOH 157 557 170 HOH HOH AAA . 
E 5 HOH 158 558 141 HOH HOH AAA . 
E 5 HOH 159 559 52  HOH HOH AAA . 
E 5 HOH 160 560 154 HOH HOH AAA . 
E 5 HOH 161 561 224 HOH HOH AAA . 
E 5 HOH 162 562 115 HOH HOH AAA . 
E 5 HOH 163 563 33  HOH HOH AAA . 
E 5 HOH 164 564 155 HOH HOH AAA . 
E 5 HOH 165 565 112 HOH HOH AAA . 
E 5 HOH 166 566 213 HOH HOH AAA . 
E 5 HOH 167 567 121 HOH HOH AAA . 
E 5 HOH 168 568 195 HOH HOH AAA . 
E 5 HOH 169 569 211 HOH HOH AAA . 
E 5 HOH 170 570 199 HOH HOH AAA . 
E 5 HOH 171 571 147 HOH HOH AAA . 
E 5 HOH 172 572 91  HOH HOH AAA . 
E 5 HOH 173 573 37  HOH HOH AAA . 
E 5 HOH 174 574 106 HOH HOH AAA . 
E 5 HOH 175 575 191 HOH HOH AAA . 
E 5 HOH 176 576 74  HOH HOH AAA . 
E 5 HOH 177 577 197 HOH HOH AAA . 
E 5 HOH 178 578 215 HOH HOH AAA . 
E 5 HOH 179 579 214 HOH HOH AAA . 
E 5 HOH 180 580 169 HOH HOH AAA . 
E 5 HOH 181 581 226 HOH HOH AAA . 
E 5 HOH 182 582 179 HOH HOH AAA . 
E 5 HOH 183 583 238 HOH HOH AAA . 
E 5 HOH 184 584 118 HOH HOH AAA . 
E 5 HOH 185 585 152 HOH HOH AAA . 
E 5 HOH 186 586 138 HOH HOH AAA . 
E 5 HOH 187 587 196 HOH HOH AAA . 
E 5 HOH 188 588 100 HOH HOH AAA . 
E 5 HOH 189 589 117 HOH HOH AAA . 
E 5 HOH 190 590 85  HOH HOH AAA . 
E 5 HOH 191 591 173 HOH HOH AAA . 
E 5 HOH 192 592 129 HOH HOH AAA . 
E 5 HOH 193 593 130 HOH HOH AAA . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 AAA LYS 9   ? CD ? A LYS 9   CD 
2 1 Y 1 AAA LYS 9   ? CE ? A LYS 9   CE 
3 1 Y 1 AAA LYS 9   ? NZ ? A LYS 9   NZ 
4 1 Y 1 AAA LYS 45  ? CE ? A LYS 45  CE 
5 1 Y 1 AAA LYS 45  ? NZ ? A LYS 45  NZ 
6 1 Y 1 AAA LYS 261 ? CD ? A LYS 260 CD 
7 1 Y 1 AAA LYS 261 ? CE ? A LYS 260 CE 
8 1 Y 1 AAA LYS 261 ? NZ ? A LYS 260 NZ 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0258 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   104.407 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8R2K 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     42.557 
_cell.length_a_esd                 ? 
_cell.length_b                     41.613 
_cell.length_b_esd                 ? 
_cell.length_c                     72.867 
_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                         8R2K 
_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                   8R2K 
_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             2.13 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          42.35 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              8.0 
_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    '1.5 M sodium citrate, 0.1 M Tris pH 8.0' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            296 
# 
_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 PILATUS 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-10-24 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.0 
_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                        'ELETTRA BEAMLINE 11.2C' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   11.2C 
_diffrn_source.pdbx_synchrotron_site       ELETTRA 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8R2K 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.60 
_reflns.d_resolution_low                               35.872 
_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                                     32031 
_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                           97.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          14.5 
_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                                0.086 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.994 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.077 
_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                                    1.60 
_reflns_shell.d_res_low                                     1.63 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           5.9 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1545 
_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                               6.5 
_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                               0.236 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.981 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          96.7 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.218 
_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]                            -0.388 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.018 
_refine.aniso_B[2][2]                            0.283 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            0.084 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               15.468 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.863 
_refine.correlation_coeff_Fo_to_Fc_free          0.845 
_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                                 8R2K 
_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                            1.600 
_refine.ls_d_res_low                             35.872 
_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                     31717 
_refine.ls_number_reflns_R_free                  1534 
_refine.ls_number_reflns_R_work                  30183 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    96.495 
_refine.ls_percent_reflns_R_free                 4.837 
_refine.ls_R_factor_all                          0.226 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2528 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2245 
_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                      0.233 
_refine.ls_wR_factor_R_work                      0.205 
_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               NONE 
_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                       0.123 
_refine.pdbx_overall_ESU_R_Free                  0.115 
_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                             1.773 
_refine.overall_SU_ML                            0.066 
_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                    0.8769 
_refine.pdbx_average_fsc_free                    0.8642 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.600 
_refine_hist.d_res_low                        35.872 
_refine_hist.number_atoms_solvent             193 
_refine_hist.number_atoms_total               2280 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        2051 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         36 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.011  0.013  2182 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.017  1962 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.708  1.636  2973 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.414  1.595  4585 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.307  5.000  268  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 33.946 23.796 108  ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.155 15.000 356  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 21.353 15.000 7    ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.088  0.200  265  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.011  0.020  2496 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  446  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.221  0.200  395  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.194  0.200  1859 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.172  0.200  1018 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.083  0.200  936  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.141  0.200  138  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.046  0.200  3    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.178  0.200  17   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.207  0.200  48   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.147  0.200  17   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.623  1.429  1042 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.600  1.426  1041 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.534  2.143  1302 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.538  2.146  1303 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.379  1.718  1140 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.378  1.723  1141 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.717  2.477  1665 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.716  2.482  1666 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 4.987  17.624 2402 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.988  17.657 2403 ? 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' 1.600 1.642  . . 95  2222 96.0216 . . . . 0.147 . . . . . . . . . . . 0.218 
'X-RAY DIFFRACTION' 1.642 1.687  . . 94  2191 97.4829 . . . . 0.160 . . . . . . . . . . . 0.224 
'X-RAY DIFFRACTION' 1.687 1.735  . . 115 2093 95.9166 . . . . 0.177 . . . . . . . . . . . 0.246 
'X-RAY DIFFRACTION' 1.735 1.789  . . 99  2023 96.1486 . . . . 0.163 . . . . . . . . . . . 0.206 
'X-RAY DIFFRACTION' 1.789 1.847  . . 99  1967 96.8135 . . . . 0.176 . . . . . . . . . . . 0.237 
'X-RAY DIFFRACTION' 1.847 1.912  . . 103 1867 93.4092 . . . . 0.338 . . . . . . . . . . . 0.292 
'X-RAY DIFFRACTION' 1.912 1.984  . . 107 1735 91.0079 . . . . 0.494 . . . . . . . . . . . 0.455 
'X-RAY DIFFRACTION' 1.984 2.065  . . 103 1749 96.4583 . . . . 0.190 . . . . . . . . . . . 0.227 
'X-RAY DIFFRACTION' 2.065 2.157  . . 91  1720 97.2088 . . . . 0.212 . . . . . . . . . . . 0.241 
'X-RAY DIFFRACTION' 2.157 2.262  . . 75  1612 94.9353 . . . . 0.450 . . . . . . . . . . . 0.484 
'X-RAY DIFFRACTION' 2.262 2.384  . . 76  1564 96.0750 . . . . 0.214 . . . . . . . . . . . 0.251 
'X-RAY DIFFRACTION' 2.384 2.529  . . 84  1503 98.5714 . . . . 0.159 . . . . . . . . . . . 0.213 
'X-RAY DIFFRACTION' 2.529 2.703  . . 83  1409 98.6772 . . . . 0.154 . . . . . . . . . . . 0.200 
'X-RAY DIFFRACTION' 2.703 2.919  . . 77  1321 98.8685 . . . . 0.153 . . . . . . . . . . . 0.189 
'X-RAY DIFFRACTION' 2.919 3.198  . . 55  1232 98.7721 . . . . 0.163 . . . . . . . . . . . 0.188 
'X-RAY DIFFRACTION' 3.198 3.574  . . 59  1099 98.0525 . . . . 0.175 . . . . . . . . . . . 0.174 
'X-RAY DIFFRACTION' 3.574 4.125  . . 38  980  97.7906 . . . . 0.203 . . . . . . . . . . . 0.251 
'X-RAY DIFFRACTION' 4.125 5.048  . . 20  873  99.1121 . . . . 0.148 . . . . . . . . . . . 0.145 
'X-RAY DIFFRACTION' 5.048 7.121  . . 41  647  98.2857 . . . . 0.187 . . . . . . . . . . . 0.216 
'X-RAY DIFFRACTION' 7.121 35.872 . . 20  377  97.5430 . . . . 0.196 . . . . . . . . . . . 0.186 
# 
_struct.entry_id                     8R2K 
_struct.title                        
'Human Carbonic Anhydrase II in complex with 4-((2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-yl)amino)benzenesulfonamide' 
_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        8R2K 
_struct_keywords.text            'carbonic anhydrase II; metalloenzyme; sulfonamide; inhibitor, LYASE' 
_struct_keywords.pdbx_keywords   LYASE 
# 
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 ? 
# 
_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              8R2K 
_struct_ref_seq.pdbx_strand_id                AAA 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 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 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 320   ? 
1 MORE         -7    ? 
1 'SSA (A^2)'  11680 ? 
# 
_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 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
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 GLY A 12  ? ASP A 19  ? GLY AAA 12  ASP AAA 19  5 ? 8 
HELX_P HELX_P2 AA2 PHE A 20  ? GLY A 25  ? PHE AAA 20  GLY AAA 25  5 ? 6 
HELX_P HELX_P3 AA3 LYS A 126 ? GLY A 128 ? LYS AAA 126 GLY AAA 129 5 ? 3 
HELX_P HELX_P4 AA4 ASP A 129 ? VAL A 134 ? ASP AAA 130 VAL AAA 135 1 ? 6 
HELX_P HELX_P5 AA5 LYS A 153 ? GLY A 155 ? LYS AAA 154 GLY AAA 156 5 ? 3 
HELX_P HELX_P6 AA6 LEU A 156 ? LEU A 163 ? LEU AAA 157 LEU AAA 164 1 ? 8 
HELX_P HELX_P7 AA7 ASP A 164 ? LYS A 167 ? ASP AAA 165 LYS AAA 168 5 ? 4 
HELX_P HELX_P8 AA8 ASP A 179 ? LEU A 184 ? ASP AAA 180 LEU AAA 185 5 ? 6 
HELX_P HELX_P9 AA9 SER A 218 ? ARG A 226 ? SER AAA 219 ARG AAA 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 C ZN  . ZN  ? ? AAA HIS 94  AAA ZN  302 1_555 ? ? ? ? ? ? ? 2.037 ? ? 
metalc2 metalc ? ? A HIS 96  NE2 ? ? ? 1_555 C ZN  . ZN  ? ? AAA HIS 96  AAA ZN  302 1_555 ? ? ? ? ? ? ? 2.070 ? ? 
metalc3 metalc ? ? A HIS 119 ND1 ? ? ? 1_555 C ZN  . ZN  ? ? AAA HIS 119 AAA ZN  302 1_555 ? ? ? ? ? ? ? 2.025 ? ? 
metalc4 metalc ? ? C ZN  .   ZN  ? ? ? 1_555 D XPI . N11 ? ? AAA ZN  302 AAA XPI 303 1_555 ? ? ? ? ? ? ? 1.993 ? ? 
# 
_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  ? AAA HIS 94  ? 1_555 ZN ? C ZN . ? AAA ZN 302 ? 1_555 NE2 ? A HIS 96  ? AAA HIS 96  ? 1_555 105.1 ? 
2 NE2 ? A HIS 94  ? AAA HIS 94  ? 1_555 ZN ? C ZN . ? AAA ZN 302 ? 1_555 ND1 ? A HIS 119 ? AAA HIS 119 ? 1_555 111.5 ? 
3 NE2 ? A HIS 96  ? AAA HIS 96  ? 1_555 ZN ? C ZN . ? AAA ZN 302 ? 1_555 ND1 ? A HIS 119 ? AAA HIS 119 ? 1_555 98.0  ? 
4 NE2 ? A HIS 94  ? AAA HIS 94  ? 1_555 ZN ? C ZN . ? AAA ZN 302 ? 1_555 N11 ? D XPI .   ? AAA XPI 303 ? 1_555 110.1 ? 
5 NE2 ? A HIS 96  ? AAA HIS 96  ? 1_555 ZN ? C ZN . ? AAA ZN 302 ? 1_555 N11 ? D XPI .   ? AAA XPI 303 ? 1_555 113.9 ? 
6 ND1 ? A HIS 119 ? AAA HIS 119 ? 1_555 ZN ? C ZN . ? AAA ZN 302 ? 1_555 N11 ? D XPI .   ? AAA XPI 303 ? 1_555 117.2 ? 
# 
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  AAA PRO 30  A ? PRO 30  AAA 1 -2.03 
2 PRO 200 A . ? PRO 201 AAA PRO 201 A ? PRO 202 AAA 1 8.69  
# 
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 AAA 32  ILE AAA 33  
AA1 2  THR A 108 ? VAL A 109 ? THR AAA 108 VAL AAA 109 
AA2 1  LYS A 39  ? TYR A 40  ? LYS AAA 39  TYR AAA 40  
AA2 2  LYS A 256 ? ALA A 257 ? LYS AAA 257 ALA AAA 258 
AA2 3  TYR A 190 ? GLY A 195 ? TYR AAA 191 GLY AAA 196 
AA2 4  VAL A 206 ? LEU A 211 ? VAL AAA 207 LEU AAA 212 
AA2 5  LEU A 140 ? VAL A 149 ? LEU AAA 141 VAL AAA 150 
AA2 6  ALA A 116 ? ASN A 124 ? ALA AAA 116 ASN AAA 124 
AA2 7  TYR A 88  ? TRP A 97  ? TYR AAA 88  TRP AAA 97  
AA2 8  PHE A 66  ? PHE A 70  ? PHE AAA 66  PHE AAA 70  
AA2 9  SER A 56  ? ASN A 61  ? SER AAA 56  ASN AAA 61  
AA2 10 SER A 172 ? ASP A 174 ? SER AAA 173 ASP AAA 175 
AA3 1  LEU A 47  ? SER A 50  ? LEU AAA 47  SER AAA 50  
AA3 2  VAL A 78  ? GLY A 81  ? VAL AAA 78  GLY AAA 81  
AA3 3  TYR A 88  ? TRP A 97  ? TYR AAA 88  TRP AAA 97  
AA3 4  ALA A 116 ? ASN A 124 ? ALA AAA 116 ASN AAA 124 
AA3 5  LEU A 140 ? VAL A 149 ? LEU AAA 141 VAL AAA 150 
AA3 6  ILE A 215 ? VAL A 217 ? ILE AAA 216 VAL AAA 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 AAA 33  O THR A 108 ? O THR AAA 108 
AA2 1 2  N LYS A 39  ? N LYS AAA 39  O ALA A 257 ? O ALA AAA 258 
AA2 2 3  O LYS A 256 ? O LYS AAA 257 N THR A 192 ? N THR AAA 193 
AA2 3 4  N GLY A 195 ? N GLY AAA 196 O VAL A 206 ? O VAL AAA 207 
AA2 4 5  O LEU A 211 ? O LEU AAA 212 N GLY A 144 ? N GLY AAA 145 
AA2 5 6  O ILE A 145 ? O ILE AAA 146 N LEU A 118 ? N LEU AAA 118 
AA2 6 7  O HIS A 119 ? O HIS AAA 119 N HIS A 94  ? N HIS AAA 94  
AA2 7 8  O PHE A 93  ? O PHE AAA 93  N VAL A 68  ? N VAL AAA 68  
AA2 8 9  O GLU A 69  ? O GLU AAA 69  N LEU A 57  ? N LEU AAA 57  
AA2 9 10 N ILE A 59  ? N ILE AAA 59  O ALA A 173 ? O ALA AAA 174 
AA3 1 2  N SER A 48  ? N SER AAA 48  O LYS A 80  ? O LYS AAA 80  
AA3 2 3  N LEU A 79  ? N LEU AAA 79  O TYR A 88  ? O TYR AAA 88  
AA3 3 4  N HIS A 94  ? N HIS AAA 94  O HIS A 119 ? O HIS AAA 119 
AA3 4 5  N LEU A 118 ? N LEU AAA 118 O ILE A 145 ? O ILE AAA 146 
AA3 5 6  N LYS A 148 ? N LYS AAA 149 O VAL A 217 ? O VAL AAA 218 
# 
_pdbx_entry_details.entry_id                   8R2K 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            C 
_pdbx_validate_rmsd_bond.auth_asym_id_1            AAA 
_pdbx_validate_rmsd_bond.auth_comp_id_1            LYS 
_pdbx_validate_rmsd_bond.auth_seq_id_1             126 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            N 
_pdbx_validate_rmsd_bond.auth_asym_id_2            AAA 
_pdbx_validate_rmsd_bond.auth_comp_id_2            TYR 
_pdbx_validate_rmsd_bond.auth_seq_id_2             128 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.548 
_pdbx_validate_rmsd_bond.bond_target_value         1.336 
_pdbx_validate_rmsd_bond.bond_deviation            0.212 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.023 
_pdbx_validate_rmsd_bond.linker_flag               Y 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_1             AAA 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              246 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CZ 
_pdbx_validate_rmsd_angle.auth_asym_id_2             AAA 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              246 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NH1 
_pdbx_validate_rmsd_angle.auth_asym_id_3             AAA 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              246 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                123.46 
_pdbx_validate_rmsd_angle.angle_target_value         120.30 
_pdbx_validate_rmsd_angle.angle_deviation            3.16 
_pdbx_validate_rmsd_angle.angle_standard_deviation   0.50 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN AAA 244 ? ? -91.49 46.58   
2 1 LYS AAA 252 ? ? 58.25  -134.33 
3 1 ASN AAA 253 ? ? -94.10 56.57   
# 
_pdbx_validate_main_chain_plane.id                       1 
_pdbx_validate_main_chain_plane.PDB_model_num            1 
_pdbx_validate_main_chain_plane.auth_comp_id             LYS 
_pdbx_validate_main_chain_plane.auth_asym_id             AAA 
_pdbx_validate_main_chain_plane.auth_seq_id              126 
_pdbx_validate_main_chain_plane.PDB_ins_code             ? 
_pdbx_validate_main_chain_plane.label_alt_id             ? 
_pdbx_validate_main_chain_plane.improper_torsion_angle   -12.57 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 AAA MET 1 ? A MET 1 
2 1 Y 1 AAA SER 2 ? A SER 2 
# 
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  
GLN N    N  N N 88  
GLN CA   C  N S 89  
GLN C    C  N N 90  
GLN O    O  N N 91  
GLN CB   C  N N 92  
GLN CG   C  N N 93  
GLN CD   C  N N 94  
GLN OE1  O  N N 95  
GLN NE2  N  N N 96  
GLN OXT  O  N N 97  
GLN H    H  N N 98  
GLN H2   H  N N 99  
GLN HA   H  N N 100 
GLN HB2  H  N N 101 
GLN HB3  H  N N 102 
GLN HG2  H  N N 103 
GLN HG3  H  N N 104 
GLN HE21 H  N N 105 
GLN HE22 H  N N 106 
GLN HXT  H  N N 107 
GLU N    N  N N 108 
GLU CA   C  N S 109 
GLU C    C  N N 110 
GLU O    O  N N 111 
GLU CB   C  N N 112 
GLU CG   C  N N 113 
GLU CD   C  N N 114 
GLU OE1  O  N N 115 
GLU OE2  O  N N 116 
GLU OXT  O  N N 117 
GLU H    H  N N 118 
GLU H2   H  N N 119 
GLU HA   H  N N 120 
GLU HB2  H  N N 121 
GLU HB3  H  N N 122 
GLU HG2  H  N N 123 
GLU HG3  H  N N 124 
GLU HE2  H  N N 125 
GLU HXT  H  N N 126 
GLY N    N  N N 127 
GLY CA   C  N N 128 
GLY C    C  N N 129 
GLY O    O  N N 130 
GLY OXT  O  N N 131 
GLY H    H  N N 132 
GLY H2   H  N N 133 
GLY HA2  H  N N 134 
GLY HA3  H  N N 135 
GLY HXT  H  N N 136 
GOL C1   C  N N 137 
GOL O1   O  N N 138 
GOL C2   C  N N 139 
GOL O2   O  N N 140 
GOL C3   C  N N 141 
GOL O3   O  N N 142 
GOL H11  H  N N 143 
GOL H12  H  N N 144 
GOL HO1  H  N N 145 
GOL H2   H  N N 146 
GOL HO2  H  N N 147 
GOL H31  H  N N 148 
GOL H32  H  N N 149 
GOL HO3  H  N N 150 
HIS N    N  N N 151 
HIS CA   C  N S 152 
HIS C    C  N N 153 
HIS O    O  N N 154 
HIS CB   C  N N 155 
HIS CG   C  Y N 156 
HIS ND1  N  Y N 157 
HIS CD2  C  Y N 158 
HIS CE1  C  Y N 159 
HIS NE2  N  Y N 160 
HIS OXT  O  N N 161 
HIS H    H  N N 162 
HIS H2   H  N N 163 
HIS HA   H  N N 164 
HIS HB2  H  N N 165 
HIS HB3  H  N N 166 
HIS HD1  H  N N 167 
HIS HD2  H  N N 168 
HIS HE1  H  N N 169 
HIS HE2  H  N N 170 
HIS HXT  H  N N 171 
HOH O    O  N N 172 
HOH H1   H  N N 173 
HOH H2   H  N N 174 
ILE N    N  N N 175 
ILE CA   C  N S 176 
ILE C    C  N N 177 
ILE O    O  N N 178 
ILE CB   C  N S 179 
ILE CG1  C  N N 180 
ILE CG2  C  N N 181 
ILE CD1  C  N N 182 
ILE OXT  O  N N 183 
ILE H    H  N N 184 
ILE H2   H  N N 185 
ILE HA   H  N N 186 
ILE HB   H  N N 187 
ILE HG12 H  N N 188 
ILE HG13 H  N N 189 
ILE HG21 H  N N 190 
ILE HG22 H  N N 191 
ILE HG23 H  N N 192 
ILE HD11 H  N N 193 
ILE HD12 H  N N 194 
ILE HD13 H  N N 195 
ILE HXT  H  N N 196 
LEU N    N  N N 197 
LEU CA   C  N S 198 
LEU C    C  N N 199 
LEU O    O  N N 200 
LEU CB   C  N N 201 
LEU CG   C  N N 202 
LEU CD1  C  N N 203 
LEU CD2  C  N N 204 
LEU OXT  O  N N 205 
LEU H    H  N N 206 
LEU H2   H  N N 207 
LEU HA   H  N N 208 
LEU HB2  H  N N 209 
LEU HB3  H  N N 210 
LEU HG   H  N N 211 
LEU HD11 H  N N 212 
LEU HD12 H  N N 213 
LEU HD13 H  N N 214 
LEU HD21 H  N N 215 
LEU HD22 H  N N 216 
LEU HD23 H  N N 217 
LEU HXT  H  N N 218 
LYS N    N  N N 219 
LYS CA   C  N S 220 
LYS C    C  N N 221 
LYS O    O  N N 222 
LYS CB   C  N N 223 
LYS CG   C  N N 224 
LYS CD   C  N N 225 
LYS CE   C  N N 226 
LYS NZ   N  N N 227 
LYS OXT  O  N N 228 
LYS H    H  N N 229 
LYS H2   H  N N 230 
LYS HA   H  N N 231 
LYS HB2  H  N N 232 
LYS HB3  H  N N 233 
LYS HG2  H  N N 234 
LYS HG3  H  N N 235 
LYS HD2  H  N N 236 
LYS HD3  H  N N 237 
LYS HE2  H  N N 238 
LYS HE3  H  N N 239 
LYS HZ1  H  N N 240 
LYS HZ2  H  N N 241 
LYS HZ3  H  N N 242 
LYS HXT  H  N N 243 
MET N    N  N N 244 
MET CA   C  N S 245 
MET C    C  N N 246 
MET O    O  N N 247 
MET CB   C  N N 248 
MET CG   C  N N 249 
MET SD   S  N N 250 
MET CE   C  N N 251 
MET OXT  O  N N 252 
MET H    H  N N 253 
MET H2   H  N N 254 
MET HA   H  N N 255 
MET HB2  H  N N 256 
MET HB3  H  N N 257 
MET HG2  H  N N 258 
MET HG3  H  N N 259 
MET HE1  H  N N 260 
MET HE2  H  N N 261 
MET HE3  H  N N 262 
MET HXT  H  N N 263 
PHE N    N  N N 264 
PHE CA   C  N S 265 
PHE C    C  N N 266 
PHE O    O  N N 267 
PHE CB   C  N N 268 
PHE CG   C  Y N 269 
PHE CD1  C  Y N 270 
PHE CD2  C  Y N 271 
PHE CE1  C  Y N 272 
PHE CE2  C  Y N 273 
PHE CZ   C  Y N 274 
PHE OXT  O  N N 275 
PHE H    H  N N 276 
PHE H2   H  N N 277 
PHE HA   H  N N 278 
PHE HB2  H  N N 279 
PHE HB3  H  N N 280 
PHE HD1  H  N N 281 
PHE HD2  H  N N 282 
PHE HE1  H  N N 283 
PHE HE2  H  N N 284 
PHE HZ   H  N N 285 
PHE HXT  H  N N 286 
PRO N    N  N N 287 
PRO CA   C  N S 288 
PRO C    C  N N 289 
PRO O    O  N N 290 
PRO CB   C  N N 291 
PRO CG   C  N N 292 
PRO CD   C  N N 293 
PRO OXT  O  N N 294 
PRO H    H  N N 295 
PRO HA   H  N N 296 
PRO HB2  H  N N 297 
PRO HB3  H  N N 298 
PRO HG2  H  N N 299 
PRO HG3  H  N N 300 
PRO HD2  H  N N 301 
PRO HD3  H  N N 302 
PRO HXT  H  N N 303 
SER N    N  N N 304 
SER CA   C  N S 305 
SER C    C  N N 306 
SER O    O  N N 307 
SER CB   C  N N 308 
SER OG   O  N N 309 
SER OXT  O  N N 310 
SER H    H  N N 311 
SER H2   H  N N 312 
SER HA   H  N N 313 
SER HB2  H  N N 314 
SER HB3  H  N N 315 
SER HG   H  N N 316 
SER HXT  H  N N 317 
THR N    N  N N 318 
THR CA   C  N S 319 
THR C    C  N N 320 
THR O    O  N N 321 
THR CB   C  N R 322 
THR OG1  O  N N 323 
THR CG2  C  N N 324 
THR OXT  O  N N 325 
THR H    H  N N 326 
THR H2   H  N N 327 
THR HA   H  N N 328 
THR HB   H  N N 329 
THR HG1  H  N N 330 
THR HG21 H  N N 331 
THR HG22 H  N N 332 
THR HG23 H  N N 333 
THR HXT  H  N N 334 
TRP N    N  N N 335 
TRP CA   C  N S 336 
TRP C    C  N N 337 
TRP O    O  N N 338 
TRP CB   C  N N 339 
TRP CG   C  Y N 340 
TRP CD1  C  Y N 341 
TRP CD2  C  Y N 342 
TRP NE1  N  Y N 343 
TRP CE2  C  Y N 344 
TRP CE3  C  Y N 345 
TRP CZ2  C  Y N 346 
TRP CZ3  C  Y N 347 
TRP CH2  C  Y N 348 
TRP OXT  O  N N 349 
TRP H    H  N N 350 
TRP H2   H  N N 351 
TRP HA   H  N N 352 
TRP HB2  H  N N 353 
TRP HB3  H  N N 354 
TRP HD1  H  N N 355 
TRP HE1  H  N N 356 
TRP HE3  H  N N 357 
TRP HZ2  H  N N 358 
TRP HZ3  H  N N 359 
TRP HH2  H  N N 360 
TRP HXT  H  N N 361 
TYR N    N  N N 362 
TYR CA   C  N S 363 
TYR C    C  N N 364 
TYR O    O  N N 365 
TYR CB   C  N N 366 
TYR CG   C  Y N 367 
TYR CD1  C  Y N 368 
TYR CD2  C  Y N 369 
TYR CE1  C  Y N 370 
TYR CE2  C  Y N 371 
TYR CZ   C  Y N 372 
TYR OH   O  N N 373 
TYR OXT  O  N N 374 
TYR H    H  N N 375 
TYR H2   H  N N 376 
TYR HA   H  N N 377 
TYR HB2  H  N N 378 
TYR HB3  H  N N 379 
TYR HD1  H  N N 380 
TYR HD2  H  N N 381 
TYR HE1  H  N N 382 
TYR HE2  H  N N 383 
TYR HH   H  N N 384 
TYR HXT  H  N N 385 
VAL N    N  N N 386 
VAL CA   C  N S 387 
VAL C    C  N N 388 
VAL O    O  N N 389 
VAL CB   C  N N 390 
VAL CG1  C  N N 391 
VAL CG2  C  N N 392 
VAL OXT  O  N N 393 
VAL H    H  N N 394 
VAL H2   H  N N 395 
VAL HA   H  N N 396 
VAL HB   H  N N 397 
VAL HG11 H  N N 398 
VAL HG12 H  N N 399 
VAL HG13 H  N N 400 
VAL HG21 H  N N 401 
VAL HG22 H  N N 402 
VAL HG23 H  N N 403 
VAL HXT  H  N N 404 
XPI C15  C  N N 405 
XPI C14  C  Y N 406 
XPI C13  C  Y N 407 
XPI C16  C  N R 408 
XPI C17  C  Y N 409 
XPI C2   C  N N 410 
XPI C7   C  Y N 411 
XPI C3   C  N N 412 
XPI N4   N  N N 413 
XPI C5   C  Y N 414 
XPI C6   C  Y N 415 
XPI O1   O  N N 416 
XPI C8   C  Y N 417 
XPI S9   S  N N 418 
XPI O10  O  N N 419 
XPI N11  N  N N 420 
XPI O12  O  N N 421 
XPI C18  C  Y N 422 
XPI O19  O  N N 423 
XPI C20  C  N N 424 
XPI C21  C  Y N 425 
XPI C22  C  Y N 426 
XPI O23  O  N N 427 
XPI C24  C  N N 428 
XPI C25  C  Y N 429 
XPI O26  O  N N 430 
XPI C27  C  N N 431 
XPI C28  C  Y N 432 
XPI O29  O  N N 433 
XPI H15  H  N N 434 
XPI H14  H  N N 435 
XPI H13  H  N N 436 
XPI H16  H  N N 437 
XPI H7   H  N N 438 
XPI H4   H  N N 439 
XPI H6   H  N N 440 
XPI H11B H  N N 441 
XPI H11A H  N N 442 
XPI H20A H  N N 443 
XPI H20C H  N N 444 
XPI H20B H  N N 445 
XPI H21  H  N N 446 
XPI H24C H  N N 447 
XPI H24A H  N N 448 
XPI H24B H  N N 449 
XPI H27C H  N N 450 
XPI H27B H  N N 451 
XPI H27A H  N N 452 
XPI H28  H  N N 453 
ZN  ZN   ZN N N 454 
# 
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  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
GOL C1  O1   sing N N 129 
GOL C1  C2   sing N N 130 
GOL C1  H11  sing N N 131 
GOL C1  H12  sing N N 132 
GOL O1  HO1  sing N N 133 
GOL C2  O2   sing N N 134 
GOL C2  C3   sing N N 135 
GOL C2  H2   sing N N 136 
GOL O2  HO2  sing N N 137 
GOL C3  O3   sing N N 138 
GOL C3  H31  sing N N 139 
GOL C3  H32  sing N N 140 
GOL O3  HO3  sing N N 141 
HIS N   CA   sing N N 142 
HIS N   H    sing N N 143 
HIS N   H2   sing N N 144 
HIS CA  C    sing N N 145 
HIS CA  CB   sing N N 146 
HIS CA  HA   sing N N 147 
HIS C   O    doub N N 148 
HIS C   OXT  sing N N 149 
HIS CB  CG   sing N N 150 
HIS CB  HB2  sing N N 151 
HIS CB  HB3  sing N N 152 
HIS CG  ND1  sing Y N 153 
HIS CG  CD2  doub Y N 154 
HIS ND1 CE1  doub Y N 155 
HIS ND1 HD1  sing N N 156 
HIS CD2 NE2  sing Y N 157 
HIS CD2 HD2  sing N N 158 
HIS CE1 NE2  sing Y N 159 
HIS CE1 HE1  sing N N 160 
HIS NE2 HE2  sing N N 161 
HIS OXT HXT  sing N N 162 
HOH O   H1   sing N N 163 
HOH O   H2   sing N N 164 
ILE N   CA   sing N N 165 
ILE N   H    sing N N 166 
ILE N   H2   sing N N 167 
ILE CA  C    sing N N 168 
ILE CA  CB   sing N N 169 
ILE CA  HA   sing N N 170 
ILE C   O    doub N N 171 
ILE C   OXT  sing N N 172 
ILE CB  CG1  sing N N 173 
ILE CB  CG2  sing N N 174 
ILE CB  HB   sing N N 175 
ILE CG1 CD1  sing N N 176 
ILE CG1 HG12 sing N N 177 
ILE CG1 HG13 sing N N 178 
ILE CG2 HG21 sing N N 179 
ILE CG2 HG22 sing N N 180 
ILE CG2 HG23 sing N N 181 
ILE CD1 HD11 sing N N 182 
ILE CD1 HD12 sing N N 183 
ILE CD1 HD13 sing N N 184 
ILE OXT HXT  sing N N 185 
LEU N   CA   sing N N 186 
LEU N   H    sing N N 187 
LEU N   H2   sing N N 188 
LEU CA  C    sing N N 189 
LEU CA  CB   sing N N 190 
LEU CA  HA   sing N N 191 
LEU C   O    doub N N 192 
LEU C   OXT  sing N N 193 
LEU CB  CG   sing N N 194 
LEU CB  HB2  sing N N 195 
LEU CB  HB3  sing N N 196 
LEU CG  CD1  sing N N 197 
LEU CG  CD2  sing N N 198 
LEU CG  HG   sing N N 199 
LEU CD1 HD11 sing N N 200 
LEU CD1 HD12 sing N N 201 
LEU CD1 HD13 sing N N 202 
LEU CD2 HD21 sing N N 203 
LEU CD2 HD22 sing N N 204 
LEU CD2 HD23 sing N N 205 
LEU OXT HXT  sing N N 206 
LYS N   CA   sing N N 207 
LYS N   H    sing N N 208 
LYS N   H2   sing N N 209 
LYS CA  C    sing N N 210 
LYS CA  CB   sing N N 211 
LYS CA  HA   sing N N 212 
LYS C   O    doub N N 213 
LYS C   OXT  sing N N 214 
LYS CB  CG   sing N N 215 
LYS CB  HB2  sing N N 216 
LYS CB  HB3  sing N N 217 
LYS CG  CD   sing N N 218 
LYS CG  HG2  sing N N 219 
LYS CG  HG3  sing N N 220 
LYS CD  CE   sing N N 221 
LYS CD  HD2  sing N N 222 
LYS CD  HD3  sing N N 223 
LYS CE  NZ   sing N N 224 
LYS CE  HE2  sing N N 225 
LYS CE  HE3  sing N N 226 
LYS NZ  HZ1  sing N N 227 
LYS NZ  HZ2  sing N N 228 
LYS NZ  HZ3  sing N N 229 
LYS OXT HXT  sing N N 230 
MET N   CA   sing N N 231 
MET N   H    sing N N 232 
MET N   H2   sing N N 233 
MET CA  C    sing N N 234 
MET CA  CB   sing N N 235 
MET CA  HA   sing N N 236 
MET C   O    doub N N 237 
MET C   OXT  sing N N 238 
MET CB  CG   sing N N 239 
MET CB  HB2  sing N N 240 
MET CB  HB3  sing N N 241 
MET CG  SD   sing N N 242 
MET CG  HG2  sing N N 243 
MET CG  HG3  sing N N 244 
MET SD  CE   sing N N 245 
MET CE  HE1  sing N N 246 
MET CE  HE2  sing N N 247 
MET CE  HE3  sing N N 248 
MET OXT HXT  sing N N 249 
PHE N   CA   sing N N 250 
PHE N   H    sing N N 251 
PHE N   H2   sing N N 252 
PHE CA  C    sing N N 253 
PHE CA  CB   sing N N 254 
PHE CA  HA   sing N N 255 
PHE C   O    doub N N 256 
PHE C   OXT  sing N N 257 
PHE CB  CG   sing N N 258 
PHE CB  HB2  sing N N 259 
PHE CB  HB3  sing N N 260 
PHE CG  CD1  doub Y N 261 
PHE CG  CD2  sing Y N 262 
PHE CD1 CE1  sing Y N 263 
PHE CD1 HD1  sing N N 264 
PHE CD2 CE2  doub Y N 265 
PHE CD2 HD2  sing N N 266 
PHE CE1 CZ   doub Y N 267 
PHE CE1 HE1  sing N N 268 
PHE CE2 CZ   sing Y N 269 
PHE CE2 HE2  sing N N 270 
PHE CZ  HZ   sing N N 271 
PHE OXT HXT  sing N N 272 
PRO N   CA   sing N N 273 
PRO N   CD   sing N N 274 
PRO N   H    sing N N 275 
PRO CA  C    sing N N 276 
PRO CA  CB   sing N N 277 
PRO CA  HA   sing N N 278 
PRO C   O    doub N N 279 
PRO C   OXT  sing N N 280 
PRO CB  CG   sing N N 281 
PRO CB  HB2  sing N N 282 
PRO CB  HB3  sing N N 283 
PRO CG  CD   sing N N 284 
PRO CG  HG2  sing N N 285 
PRO CG  HG3  sing N N 286 
PRO CD  HD2  sing N N 287 
PRO CD  HD3  sing N N 288 
PRO OXT HXT  sing N N 289 
SER N   CA   sing N N 290 
SER N   H    sing N N 291 
SER N   H2   sing N N 292 
SER CA  C    sing N N 293 
SER CA  CB   sing N N 294 
SER CA  HA   sing N N 295 
SER C   O    doub N N 296 
SER C   OXT  sing N N 297 
SER CB  OG   sing N N 298 
SER CB  HB2  sing N N 299 
SER CB  HB3  sing N N 300 
SER OG  HG   sing N N 301 
SER OXT HXT  sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
XPI O1  C2   doub N N 389 
XPI C2  C3   sing N N 390 
XPI C3  N4   sing N N 391 
XPI N4  C5   sing N N 392 
XPI C5  C6   doub Y N 393 
XPI C6  C7   sing Y N 394 
XPI C7  C8   doub Y N 395 
XPI C8  S9   sing N N 396 
XPI S9  O10  doub N N 397 
XPI S9  N11  sing N N 398 
XPI S9  O12  doub N N 399 
XPI C8  C13  sing Y N 400 
XPI C13 C14  doub Y N 401 
XPI C3  C15  doub N N 402 
XPI C15 C16  sing N N 403 
XPI C16 C17  sing N N 404 
XPI C17 C18  doub Y N 405 
XPI C18 O19  sing N N 406 
XPI O19 C20  sing N N 407 
XPI C18 C21  sing Y N 408 
XPI C21 C22  doub Y N 409 
XPI C22 O23  sing N N 410 
XPI O23 C24  sing N N 411 
XPI C22 C25  sing Y N 412 
XPI C25 O26  sing N N 413 
XPI O26 C27  sing N N 414 
XPI C25 C28  doub Y N 415 
XPI C16 O29  sing N N 416 
XPI O29 C2   sing N N 417 
XPI C14 C5   sing Y N 418 
XPI C28 C17  sing Y N 419 
XPI C15 H15  sing N N 420 
XPI C14 H14  sing N N 421 
XPI C13 H13  sing N N 422 
XPI C16 H16  sing N N 423 
XPI C7  H7   sing N N 424 
XPI N4  H4   sing N N 425 
XPI C6  H6   sing N N 426 
XPI N11 H11B sing N N 427 
XPI N11 H11A sing N N 428 
XPI C20 H20A sing N N 429 
XPI C20 H20C sing N N 430 
XPI C20 H20B sing N N 431 
XPI C21 H21  sing N N 432 
XPI C24 H24C sing N N 433 
XPI C24 H24A sing N N 434 
XPI C24 H24B sing N N 435 
XPI C27 H27C sing N N 436 
XPI C27 H27B sing N N 437 
XPI C27 H27A sing N N 438 
XPI C28 H28  sing N N 439 
# 
_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   4FIK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8R2K 
_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]   0.023498 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.006036 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.024031 
_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]   0.014169 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
H  1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N  7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O  8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S  16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.056   
ZN 30 30 14.082 3.266  7.036 0.233  5.165 10.316 2.411 58.710 0.909   
# 
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   . HIS A 1 3   ? 13.645  -0.265  6.792   1.000 43.536 ? 3   HIS AAA N   1 ? 
ATOM   2    C  CA  . HIS A 1 3   ? 13.317  -1.256  7.888   1.000 46.264 ? 3   HIS AAA CA  1 ? 
ATOM   3    C  C   . HIS A 1 3   ? 12.201  -0.710  8.804   1.000 45.101 ? 3   HIS AAA C   1 ? 
ATOM   4    O  O   . HIS A 1 3   ? 12.418  -0.661  10.052  1.000 52.815 ? 3   HIS AAA O   1 ? 
ATOM   5    C  CB  . HIS A 1 3   ? 14.603  -1.603  8.658   1.000 47.679 ? 3   HIS AAA CB  1 ? 
ATOM   6    C  CG  . HIS A 1 3   ? 14.501  -2.803  9.535   1.000 45.323 ? 3   HIS AAA CG  1 ? 
ATOM   7    N  ND1 . HIS A 1 3   ? 14.666  -4.090  9.046   1.000 43.359 ? 3   HIS AAA ND1 1 ? 
ATOM   8    C  CD2 . HIS A 1 3   ? 14.279  -2.917  10.863  1.000 44.980 ? 3   HIS AAA CD2 1 ? 
ATOM   9    C  CE1 . HIS A 1 3   ? 14.536  -4.950  10.037  1.000 47.193 ? 3   HIS AAA CE1 1 ? 
ATOM   10   N  NE2 . HIS A 1 3   ? 14.305  -4.254  11.166  1.000 45.043 ? 3   HIS AAA NE2 1 ? 
ATOM   11   N  N   . HIS A 1 4   ? 11.058  -0.314  8.218   1.000 38.068 ? 4   HIS AAA N   1 ? 
ATOM   12   C  CA  . HIS A 1 4   ? 9.875   0.261   8.925   1.000 32.818 ? 4   HIS AAA CA  1 ? 
ATOM   13   C  C   . HIS A 1 4   ? 9.156   -0.884  9.643   1.000 26.389 ? 4   HIS AAA C   1 ? 
ATOM   14   O  O   . HIS A 1 4   ? 9.415   -2.064  9.337   1.000 24.598 ? 4   HIS AAA O   1 ? 
ATOM   15   C  CB  . HIS A 1 4   ? 8.943   1.021   7.958   1.000 37.499 ? 4   HIS AAA CB  1 ? 
ATOM   16   C  CG  . HIS A 1 4   ? 8.139   2.136   8.557   1.000 46.242 ? 4   HIS AAA CG  1 ? 
ATOM   17   N  ND1 . HIS A 1 4   ? 6.833   2.407   8.153   1.000 53.272 ? 4   HIS AAA ND1 1 ? 
ATOM   18   C  CD2 . HIS A 1 4   ? 8.431   3.074   9.494   1.000 50.667 ? 4   HIS AAA CD2 1 ? 
ATOM   19   C  CE1 . HIS A 1 4   ? 6.363   3.456   8.813   1.000 51.106 ? 4   HIS AAA CE1 1 ? 
ATOM   20   N  NE2 . HIS A 1 4   ? 7.329   3.895   9.636   1.000 50.543 ? 4   HIS AAA NE2 1 ? 
ATOM   21   N  N   . TRP A 1 5   ? 8.290   -0.545  10.587  1.000 19.373 ? 5   TRP AAA N   1 ? 
ATOM   22   C  CA  . TRP A 1 5   ? 7.628   -1.527  11.465  1.000 15.330 ? 5   TRP AAA CA  1 ? 
ATOM   23   C  C   . TRP A 1 5   ? 6.638   -2.346  10.623  1.000 12.884 ? 5   TRP AAA C   1 ? 
ATOM   24   O  O   . TRP A 1 5   ? 6.059   -1.810  9.627   1.000 15.449 ? 5   TRP AAA O   1 ? 
ATOM   25   C  CB  . TRP A 1 5   ? 6.962   -0.841  12.656  1.000 14.377 ? 5   TRP AAA CB  1 ? 
ATOM   26   C  CG  . TRP A 1 5   ? 5.790   0.000   12.288  1.000 14.406 ? 5   TRP AAA CG  1 ? 
ATOM   27   C  CD1 . TRP A 1 5   ? 5.777   1.336   12.002  1.000 13.369 ? 5   TRP AAA CD1 1 ? 
ATOM   28   C  CD2 . TRP A 1 5   ? 4.426   -0.452  12.203  1.000 12.761 ? 5   TRP AAA CD2 1 ? 
ATOM   29   N  NE1 . TRP A 1 5   ? 4.502   1.738   11.713  1.000 13.605 ? 5   TRP AAA NE1 1 ? 
ATOM   30   C  CE2 . TRP A 1 5   ? 3.653   0.682   11.876  1.000 12.982 ? 5   TRP AAA CE2 1 ? 
ATOM   31   C  CE3 . TRP A 1 5   ? 3.767   -1.657  12.454  1.000 11.444 ? 5   TRP AAA CE3 1 ? 
ATOM   32   C  CZ2 . TRP A 1 5   ? 2.271   0.625   11.748  1.000 13.206 ? 5   TRP AAA CZ2 1 ? 
ATOM   33   C  CZ3 . TRP A 1 5   ? 2.394   -1.718  12.299  1.000 13.469 ? 5   TRP AAA CZ3 1 ? 
ATOM   34   C  CH2 . TRP A 1 5   ? 1.658   -0.584  11.950  1.000 13.011 ? 5   TRP AAA CH2 1 ? 
ATOM   35   N  N   . GLY A 1 6   ? 6.346   -3.550  11.111  1.000 12.340 ? 6   GLY AAA N   1 ? 
ATOM   36   C  CA  . GLY A 1 6   ? 5.311   -4.411  10.547  1.000 11.615 ? 6   GLY AAA CA  1 ? 
ATOM   37   C  C   . GLY A 1 6   ? 4.996   -5.566  11.475  1.000 12.230 ? 6   GLY AAA C   1 ? 
ATOM   38   O  O   . GLY A 1 6   ? 5.025   -5.392  12.720  1.000 12.416 ? 6   GLY AAA O   1 ? 
ATOM   39   N  N   . TYR A 1 7   ? 4.729   -6.737  10.902  1.000 13.572 ? 7   TYR AAA N   1 ? 
ATOM   40   C  CA  . TYR A 1 7   ? 4.315   -7.909  11.715  1.000 13.980 ? 7   TYR AAA CA  1 ? 
ATOM   41   C  C   . TYR A 1 7   ? 5.196   -9.114  11.402  1.000 19.622 ? 7   TYR AAA C   1 ? 
ATOM   42   O  O   . TYR A 1 7   ? 4.847   -10.195 11.850  1.000 23.677 ? 7   TYR AAA O   1 ? 
ATOM   43   C  CB  . TYR A 1 7   ? 2.819   -8.190  11.534  1.000 12.816 ? 7   TYR AAA CB  1 ? 
ATOM   44   C  CG  . TYR A 1 7   ? 1.886   -7.094  12.022  1.000 11.691 ? 7   TYR AAA CG  1 ? 
ATOM   45   C  CD1 . TYR A 1 7   ? 1.483   -7.072  13.339  1.000 11.253 ? 7   TYR AAA CD1 1 ? 
ATOM   46   C  CD2 . TYR A 1 7   ? 1.396   -6.109  11.190  1.000 10.709 ? 7   TYR AAA CD2 1 ? 
ATOM   47   C  CE1 . TYR A 1 7   ? 0.639   -6.088  13.826  1.000 10.705 ? 7   TYR AAA CE1 1 ? 
ATOM   48   C  CE2 . TYR A 1 7   ? 0.598   -5.089  11.660  1.000 11.144 ? 7   TYR AAA CE2 1 ? 
ATOM   49   C  CZ  . TYR A 1 7   ? 0.159   -5.113  12.970  1.000 9.868  ? 7   TYR AAA CZ  1 ? 
ATOM   50   O  OH  . TYR A 1 7   ? -0.688  -4.150  13.446  1.000 10.704 ? 7   TYR AAA OH  1 ? 
ATOM   51   N  N   . GLY A 1 8   ? 6.288   -8.929  10.650  1.000 20.703 ? 8   GLY AAA N   1 ? 
ATOM   52   C  CA  . GLY A 1 8   ? 7.257   -10.020 10.395  1.000 21.699 ? 8   GLY AAA CA  1 ? 
ATOM   53   C  C   . GLY A 1 8   ? 8.184   -10.317 11.579  1.000 24.216 ? 8   GLY AAA C   1 ? 
ATOM   54   O  O   . GLY A 1 8   ? 8.328   -9.463  12.505  1.000 22.568 ? 8   GLY AAA O   1 ? 
ATOM   55   N  N   . LYS A 1 9   ? 8.918   -11.438 11.529  1.000 27.720 ? 9   LYS AAA N   1 ? 
ATOM   56   C  CA  . LYS A 1 9   ? 9.937   -11.792 12.562  1.000 28.793 ? 9   LYS AAA CA  1 ? 
ATOM   57   C  C   . LYS A 1 9   ? 10.952  -10.649 12.693  1.000 25.775 ? 9   LYS AAA C   1 ? 
ATOM   58   O  O   . LYS A 1 9   ? 11.497  -10.410 13.801  1.000 25.849 ? 9   LYS AAA O   1 ? 
ATOM   59   C  CB  . LYS A 1 9   ? 10.659  -13.102 12.215  1.000 32.303 ? 9   LYS AAA CB  1 ? 
ATOM   60   C  CG  . LYS A 1 9   ? 11.091  -13.284 10.760  1.000 36.168 ? 9   LYS AAA CG  1 ? 
ATOM   61   N  N   . HIS A 1 10  ? 11.219  -9.925  11.615  1.000 20.447 ? 10  HIS AAA N   1 ? 
ATOM   62   C  CA  . HIS A 1 10  ? 12.319  -8.946  11.665  1.000 20.698 ? 10  HIS AAA CA  1 ? 
ATOM   63   C  C   . HIS A 1 10  ? 11.792  -7.562  12.029  1.000 18.850 ? 10  HIS AAA C   1 ? 
ATOM   64   O  O   . HIS A 1 10  ? 12.612  -6.737  12.445  1.000 22.094 ? 10  HIS AAA O   1 ? 
ATOM   65   C  CB  . HIS A 1 10  ? 13.162  -8.997  10.373  1.000 21.153 ? 10  HIS AAA CB  1 ? 
ATOM   66   C  CG  . HIS A 1 10  ? 13.756  -10.351 10.145  1.000 24.220 ? 10  HIS AAA CG  1 ? 
ATOM   67   N  ND1 . HIS A 1 10  ? 14.730  -10.888 10.982  1.000 23.032 ? 10  HIS AAA ND1 1 ? 
ATOM   68   C  CD2 . HIS A 1 10  ? 13.464  -11.308 9.232   1.000 25.505 ? 10  HIS AAA CD2 1 ? 
ATOM   69   C  CE1 . HIS A 1 10  ? 15.047  -12.105 10.560  1.000 24.948 ? 10  HIS AAA CE1 1 ? 
ATOM   70   N  NE2 . HIS A 1 10  ? 14.264  -12.397 9.494   1.000 23.872 ? 10  HIS AAA NE2 1 ? 
ATOM   71   N  N   . ASN A 1 11  ? 10.480  -7.291  11.951  1.000 17.274 ? 11  ASN AAA N   1 ? 
ATOM   72   C  CA  . ASN A 1 11  ? 10.013  -5.901  12.194  1.000 16.202 ? 11  ASN AAA CA  1 ? 
ATOM   73   C  C   . ASN A 1 11  ? 8.724   -5.895  13.022  1.000 15.909 ? 11  ASN AAA C   1 ? 
ATOM   74   O  O   . ASN A 1 11  ? 8.083   -4.832  13.033  1.000 14.649 ? 11  ASN AAA O   1 ? 
ATOM   75   C  CB  . ASN A 1 11  ? 9.783   -5.157  10.887  1.000 15.282 ? 11  ASN AAA CB  1 ? 
ATOM   76   C  CG  . ASN A 1 11  ? 8.733   -5.795  10.011  1.000 15.282 ? 11  ASN AAA CG  1 ? 
ATOM   77   O  OD1 . ASN A 1 11  ? 8.189   -6.848  10.339  1.000 16.622 ? 11  ASN AAA OD1 1 ? 
ATOM   78   N  ND2 . ASN A 1 11  ? 8.449   -5.149  8.897   1.000 17.279 ? 11  ASN AAA ND2 1 ? 
ATOM   79   N  N   . GLY A 1 12  ? 8.411   -7.021  13.682  1.000 15.579 ? 12  GLY AAA N   1 ? 
ATOM   80   C  CA  . GLY A 1 12  ? 7.128   -7.269  14.361  1.000 15.583 ? 12  GLY AAA CA  1 ? 
ATOM   81   C  C   . GLY A 1 12  ? 7.091   -6.674  15.768  1.000 15.040 ? 12  GLY AAA C   1 ? 
ATOM   82   O  O   . GLY A 1 12  ? 7.992   -5.956  16.200  1.000 15.570 ? 12  GLY AAA O   1 ? 
ATOM   83   N  N   . PRO A 1 13  ? 5.997   -6.942  16.517  1.000 13.532 ? 13  PRO AAA N   1 ? 
ATOM   84   C  CA  . PRO A 1 13  ? 5.785   -6.280  17.814  1.000 13.136 ? 13  PRO AAA CA  1 ? 
ATOM   85   C  C   . PRO A 1 13  ? 6.956   -6.354  18.823  1.000 11.583 ? 13  PRO AAA C   1 ? 
ATOM   86   O  O   . PRO A 1 13  ? 7.101   -5.422  19.589  1.000 11.733 ? 13  PRO AAA O   1 ? 
ATOM   87   C  CB  . PRO A 1 13  ? 4.535   -7.027  18.293  1.000 12.940 ? 13  PRO AAA CB  1 ? 
ATOM   88   C  CG  . PRO A 1 13  ? 3.757   -7.339  17.010  1.000 13.766 ? 13  PRO AAA CG  1 ? 
ATOM   89   C  CD  . PRO A 1 13  ? 4.854   -7.767  16.072  1.000 13.223 ? 13  PRO AAA CD  1 ? 
ATOM   90   N  N   . GLU A 1 14  ? 7.792   -7.402  18.801  1.000 14.321 ? 14  GLU AAA N   1 ? 
ATOM   91   C  CA  . GLU A 1 14  ? 8.981   -7.508  19.689  1.000 16.930 ? 14  GLU AAA CA  1 ? 
ATOM   92   C  C   . GLU A 1 14  ? 10.079  -6.475  19.348  1.000 15.219 ? 14  GLU AAA C   1 ? 
ATOM   93   O  O   . GLU A 1 14  ? 11.020  -6.249  20.196  1.000 15.744 ? 14  GLU AAA O   1 ? 
ATOM   94   C  CB  . GLU A 1 14  ? 9.520   -8.942  19.684  1.000 20.199 ? 14  GLU AAA CB  1 ? 
ATOM   95   C  CG  . GLU A 1 14  ? 8.522   -9.985  20.162  1.000 25.112 ? 14  GLU AAA CG  1 ? 
ATOM   96   C  CD  . GLU A 1 14  ? 7.663   -9.546  21.349  1.000 30.290 ? 14  GLU AAA CD  1 ? 
ATOM   97   O  OE1 . GLU A 1 14  ? 8.242   -9.222  22.406  1.000 34.003 ? 14  GLU AAA OE1 1 ? 
ATOM   98   O  OE2 . GLU A 1 14  ? 6.396   -9.484  21.205  1.000 40.329 ? 14  GLU AAA OE2 1 ? 
ATOM   99   N  N   . HIS A 1 15  ? 10.041  -5.866  18.161  1.000 14.020 ? 15  HIS AAA N   1 ? 
ATOM   100  C  CA  . HIS A 1 15  ? 11.041  -4.876  17.712  1.000 15.028 ? 15  HIS AAA CA  1 ? 
ATOM   101  C  C   . HIS A 1 15  ? 10.568  -3.443  17.951  1.000 13.454 ? 15  HIS AAA C   1 ? 
ATOM   102  O  O   . HIS A 1 15  ? 11.401  -2.511  17.864  1.000 13.178 ? 15  HIS AAA O   1 ? 
ATOM   103  C  CB  . HIS A 1 15  ? 11.302  -5.073  16.215  1.000 15.402 ? 15  HIS AAA CB  1 ? 
ATOM   104  C  CG  . HIS A 1 15  ? 12.021  -6.340  15.943  1.000 18.121 ? 15  HIS AAA CG  1 ? 
ATOM   105  N  ND1 . HIS A 1 15  ? 13.399  -6.377  15.956  1.000 20.243 ? 15  HIS AAA ND1 1 ? 
ATOM   106  C  CD2 . HIS A 1 15  ? 11.586  -7.582  15.618  1.000 19.046 ? 15  HIS AAA CD2 1 ? 
ATOM   107  C  CE1 . HIS A 1 15  ? 13.788  -7.584  15.633  1.000 21.386 ? 15  HIS AAA CE1 1 ? 
ATOM   108  N  NE2 . HIS A 1 15  ? 12.708  -8.354  15.462  1.000 21.592 ? 15  HIS AAA NE2 1 ? 
ATOM   109  N  N   . TRP A 1 16  ? 9.249   -3.233  18.067  1.000 11.761 ? 16  TRP AAA N   1 ? 
ATOM   110  C  CA  . TRP A 1 16  ? 8.690   -1.855  18.025  1.000 11.812 ? 16  TRP AAA CA  1 ? 
ATOM   111  C  C   . TRP A 1 16  ? 9.331   -0.919  19.064  1.000 10.977 ? 16  TRP AAA C   1 ? 
ATOM   112  O  O   . TRP A 1 16  ? 9.458   0.283   18.799  1.000 10.433 ? 16  TRP AAA O   1 ? 
ATOM   113  C  CB  . TRP A 1 16  ? 7.161   -1.911  18.191  1.000 11.028 ? 16  TRP AAA CB  1 ? 
ATOM   114  C  CG  . TRP A 1 16  ? 6.447   -2.611  17.063  1.000 10.808 ? 16  TRP AAA CG  1 ? 
ATOM   115  C  CD1 . TRP A 1 16  ? 6.938   -3.041  15.855  1.000 10.310 ? 16  TRP AAA CD1 1 ? 
ATOM   116  C  CD2 . TRP A 1 16  ? 5.042   -2.927  17.026  1.000 10.461 ? 16  TRP AAA CD2 1 ? 
ATOM   117  N  NE1 . TRP A 1 16  ? 5.948   -3.599  15.083  1.000 10.979 ? 16  TRP AAA NE1 1 ? 
ATOM   118  C  CE2 . TRP A 1 16  ? 4.765   -3.537  15.780  1.000 10.527 ? 16  TRP AAA CE2 1 ? 
ATOM   119  C  CE3 . TRP A 1 16  ? 3.969   -2.708  17.911  1.000 10.857 ? 16  TRP AAA CE3 1 ? 
ATOM   120  C  CZ2 . TRP A 1 16  ? 3.492   -3.966  15.403  1.000 10.954 ? 16  TRP AAA CZ2 1 ? 
ATOM   121  C  CZ3 . TRP A 1 16  ? 2.714   -3.103  17.521  1.000 11.534 ? 16  TRP AAA CZ3 1 ? 
ATOM   122  C  CH2 . TRP A 1 16  ? 2.477   -3.751  16.310  1.000 11.522 ? 16  TRP AAA CH2 1 ? 
ATOM   123  N  N   . HIS A 1 17  ? 9.641   -1.408  20.263  1.000 11.588 ? 17  HIS AAA N   1 ? 
ATOM   124  C  CA  . HIS A 1 17  ? 10.176  -0.554  21.360  1.000 11.885 ? 17  HIS AAA CA  1 ? 
ATOM   125  C  C   . HIS A 1 17  ? 11.422  0.208   20.889  1.000 12.644 ? 17  HIS AAA C   1 ? 
ATOM   126  O  O   . HIS A 1 17  ? 11.660  1.264   21.418  1.000 12.890 ? 17  HIS AAA O   1 ? 
ATOM   127  C  CB  . HIS A 1 17  ? 10.496  -1.357  22.622  1.000 11.612 ? 17  HIS AAA CB  1 ? 
ATOM   128  C  CG  . HIS A 1 17  ? 11.641  -2.281  22.440  1.000 13.319 ? 17  HIS AAA CG  1 ? 
ATOM   129  N  ND1 . HIS A 1 17  ? 12.897  -1.969  22.942  1.000 15.378 ? 17  HIS AAA ND1 1 ? 
ATOM   130  C  CD2 . HIS A 1 17  ? 11.743  -3.465  21.823  1.000 14.800 ? 17  HIS AAA CD2 1 ? 
ATOM   131  C  CE1 . HIS A 1 17  ? 13.720  -2.959  22.646  1.000 14.477 ? 17  HIS AAA CE1 1 ? 
ATOM   132  N  NE2 . HIS A 1 17  ? 13.052  -3.887  21.992  1.000 17.268 ? 17  HIS AAA NE2 1 ? 
ATOM   133  N  N   . LYS A 1 18  ? 12.140  -0.308  19.896  1.000 14.645 ? 18  LYS AAA N   1 ? 
ATOM   134  C  CA  . LYS A 1 18  ? 13.433  0.313   19.477  1.000 15.479 ? 18  LYS AAA CA  1 ? 
ATOM   135  C  C   . LYS A 1 18  ? 13.167  1.673   18.833  1.000 16.155 ? 18  LYS AAA C   1 ? 
ATOM   136  O  O   . LYS A 1 18  ? 13.926  2.596   19.085  1.000 16.915 ? 18  LYS AAA O   1 ? 
ATOM   137  C  CB  . LYS A 1 18  ? 14.232  -0.610  18.560  1.000 14.797 ? 18  LYS AAA CB  1 ? 
ATOM   138  C  CG  . LYS A 1 18  ? 14.777  -1.852  19.240  1.000 16.451 ? 18  LYS AAA CG  1 ? 
ATOM   139  C  CD  . LYS A 1 18  ? 15.510  -2.782  18.341  1.000 17.390 ? 18  LYS AAA CD  1 ? 
ATOM   140  C  CE  . LYS A 1 18  ? 14.577  -3.704  17.586  1.000 16.217 ? 18  LYS AAA CE  1 ? 
ATOM   141  N  NZ  . LYS A 1 18  ? 15.319  -4.495  16.571  1.000 16.230 ? 18  LYS AAA NZ  1 ? 
ATOM   142  N  N   . ASP A 1 19  ? 12.096  1.820   18.061  1.000 15.347 ? 19  ASP AAA N   1 ? 
ATOM   143  C  CA  . ASP A 1 19  ? 11.743  3.122   17.450  1.000 16.656 ? 19  ASP AAA CA  1 ? 
ATOM   144  C  C   . ASP A 1 19  ? 10.664  3.829   18.261  1.000 15.063 ? 19  ASP AAA C   1 ? 
ATOM   145  O  O   . ASP A 1 19  ? 10.536  5.034   18.071  1.000 15.473 ? 19  ASP AAA O   1 ? 
ATOM   146  C  CB  . ASP A 1 19  ? 11.388  2.988   15.974  1.000 19.163 ? 19  ASP AAA CB  1 ? 
ATOM   147  C  CG  . ASP A 1 19  ? 12.643  2.856   15.129  1.000 22.169 ? 19  ASP AAA CG  1 ? 
ATOM   148  O  OD1 . ASP A 1 19  ? 13.348  3.870   15.019  1.000 23.445 ? 19  ASP AAA OD1 1 ? 
ATOM   149  O  OD2 . ASP A 1 19  ? 12.998  1.722   14.796  1.000 27.998 ? 19  ASP AAA OD2 1 ? 
ATOM   150  N  N   . PHE A 1 20  ? 9.883   3.098   19.083  1.000 13.967 ? 20  PHE AAA N   1 ? 
ATOM   151  C  CA  . PHE A 1 20  ? 8.707   3.618   19.805  1.000 12.712 ? 20  PHE AAA CA  1 ? 
ATOM   152  C  C   . PHE A 1 20  ? 8.814   3.134   21.245  1.000 12.373 ? 20  PHE AAA C   1 ? 
ATOM   153  O  O   . PHE A 1 20  ? 8.237   2.125   21.610  1.000 12.333 ? 20  PHE AAA O   1 ? 
ATOM   154  C  CB  . PHE A 1 20  ? 7.408   3.147   19.128  1.000 12.439 ? 20  PHE AAA CB  1 ? 
ATOM   155  C  CG  . PHE A 1 20  ? 7.316   3.505   17.668  1.000 12.680 ? 20  PHE AAA CG  1 ? 
ATOM   156  C  CD1 . PHE A 1 20  ? 6.964   4.782   17.280  1.000 14.262 ? 20  PHE AAA CD1 1 ? 
ATOM   157  C  CD2 . PHE A 1 20  ? 7.681   2.584   16.704  1.000 13.068 ? 20  PHE AAA CD2 1 ? 
ATOM   158  C  CE1 . PHE A 1 20  ? 7.007   5.127   15.928  1.000 12.886 ? 20  PHE AAA CE1 1 ? 
ATOM   159  C  CE2 . PHE A 1 20  ? 7.772   2.948   15.371  1.000 12.461 ? 20  PHE AAA CE2 1 ? 
ATOM   160  C  CZ  . PHE A 1 20  ? 7.397   4.212   14.982  1.000 13.248 ? 20  PHE AAA CZ  1 ? 
ATOM   161  N  N   . PRO A 1 21  ? 9.666   3.753   22.095  1.000 13.347 ? 21  PRO AAA N   1 ? 
ATOM   162  C  CA  . PRO A 1 21  ? 9.907   3.227   23.444  1.000 13.250 ? 21  PRO AAA CA  1 ? 
ATOM   163  C  C   . PRO A 1 21  ? 8.668   3.115   24.343  1.000 12.509 ? 21  PRO AAA C   1 ? 
ATOM   164  O  O   . PRO A 1 21  ? 8.681   2.349   25.294  1.000 13.368 ? 21  PRO AAA O   1 ? 
ATOM   165  C  CB  . PRO A 1 21  ? 10.949  4.202   24.036  1.000 14.234 ? 21  PRO AAA CB  1 ? 
ATOM   166  C  CG  . PRO A 1 21  ? 10.993  5.388   23.108  1.000 14.482 ? 21  PRO AAA CG  1 ? 
ATOM   167  C  CD  . PRO A 1 21  ? 10.496  4.918   21.758  1.000 15.378 ? 21  PRO AAA CD  1 ? 
ATOM   168  N  N   . ILE A 1 22  ? 7.631   3.873   24.021  1.000 11.781 ? 22  ILE AAA N   1 ? 
ATOM   169  C  CA  A ILE A 1 22  ? 6.349   3.813   24.772  0.670 11.839 ? 22  ILE AAA CA  1 ? 
ATOM   170  C  CA  B ILE A 1 22  ? 6.340   3.818   24.760  0.330 11.465 ? 22  ILE AAA CA  1 ? 
ATOM   171  C  C   . ILE A 1 22  ? 5.766   2.400   24.630  1.000 11.058 ? 22  ILE AAA C   1 ? 
ATOM   172  O  O   . ILE A 1 22  ? 4.879   2.067   25.391  1.000 11.109 ? 22  ILE AAA O   1 ? 
ATOM   173  C  CB  A ILE A 1 22  ? 5.373   4.880   24.268  0.670 11.199 ? 22  ILE AAA CB  1 ? 
ATOM   174  C  CB  B ILE A 1 22  ? 5.375   4.900   24.243  0.330 10.813 ? 22  ILE AAA CB  1 ? 
ATOM   175  C  CG1 A ILE A 1 22  ? 4.308   5.225   25.323  0.670 11.524 ? 22  ILE AAA CG1 1 ? 
ATOM   176  C  CG1 B ILE A 1 22  ? 4.299   5.262   25.276  0.330 10.580 ? 22  ILE AAA CG1 1 ? 
ATOM   177  C  CG2 A ILE A 1 22  ? 4.780   4.418   22.941  0.670 11.451 ? 22  ILE AAA CG2 1 ? 
ATOM   178  C  CG2 B ILE A 1 22  ? 4.778   4.479   22.907  0.330 11.003 ? 22  ILE AAA CG2 1 ? 
ATOM   179  C  CD1 A ILE A 1 22  ? 3.369   6.346   24.948  0.670 11.924 ? 22  ILE AAA CD1 1 ? 
ATOM   180  C  CD1 B ILE A 1 22  ? 4.849   5.714   26.613  0.330 10.247 ? 22  ILE AAA CD1 1 ? 
ATOM   181  N  N   . ALA A 1 23  ? 6.293   1.558   23.736  1.000 11.686 ? 23  ALA AAA N   1 ? 
ATOM   182  C  CA  . ALA A 1 23  ? 5.876   0.127   23.619  1.000 12.698 ? 23  ALA AAA CA  1 ? 
ATOM   183  C  C   . ALA A 1 23  ? 5.932   -0.607  24.979  1.000 12.777 ? 23  ALA AAA C   1 ? 
ATOM   184  O  O   . ALA A 1 23  ? 5.147   -1.590  25.221  1.000 12.711 ? 23  ALA AAA O   1 ? 
ATOM   185  C  CB  . ALA A 1 23  ? 6.749   -0.613  22.626  1.000 11.414 ? 23  ALA AAA CB  1 ? 
ATOM   186  N  N   . LYS A 1 24  ? 6.850   -0.208  25.867  1.000 16.260 ? 24  LYS AAA N   1 ? 
ATOM   187  C  CA  . LYS A 1 24  ? 7.009   -0.822  27.218  1.000 17.054 ? 24  LYS AAA CA  1 ? 
ATOM   188  C  C   . LYS A 1 24  ? 6.381   0.071   28.303  1.000 16.918 ? 24  LYS AAA C   1 ? 
ATOM   189  O  O   . LYS A 1 24  ? 6.859   0.002   29.454  1.000 18.589 ? 24  LYS AAA O   1 ? 
ATOM   190  C  CB  . LYS A 1 24  ? 8.504   -1.008  27.517  1.000 20.278 ? 24  LYS AAA CB  1 ? 
ATOM   191  C  CG  . LYS A 1 24  ? 9.185   -2.079  26.677  1.000 23.575 ? 24  LYS AAA CG  1 ? 
ATOM   192  C  CD  . LYS A 1 24  ? 10.704  -1.992  26.784  1.000 26.848 ? 24  LYS AAA CD  1 ? 
ATOM   193  C  CE  . LYS A 1 24  ? 11.370  -3.322  27.048  1.000 32.567 ? 24  LYS AAA CE  1 ? 
ATOM   194  N  NZ  . LYS A 1 24  ? 11.201  -4.257  25.911  1.000 35.211 ? 24  LYS AAA NZ  1 ? 
ATOM   195  N  N   . GLY A 1 25  ? 5.399   0.914   27.966  1.000 15.344 ? 25  GLY AAA N   1 ? 
ATOM   196  C  CA  . GLY A 1 25  ? 4.804   1.909   28.876  1.000 15.797 ? 25  GLY AAA CA  1 ? 
ATOM   197  C  C   . GLY A 1 25  ? 3.752   1.323   29.791  1.000 14.759 ? 25  GLY AAA C   1 ? 
ATOM   198  O  O   . GLY A 1 25  ? 3.581   0.106   29.829  1.000 15.443 ? 25  GLY AAA O   1 ? 
ATOM   199  N  N   . GLU A 1 26  ? 3.090   2.208   30.521  1.000 16.043 ? 26  GLU AAA N   1 ? 
ATOM   200  C  CA  . GLU A 1 26  ? 2.209   1.859   31.655  1.000 15.889 ? 26  GLU AAA CA  1 ? 
ATOM   201  C  C   . GLU A 1 26  ? 0.778   1.588   31.198  1.000 14.544 ? 26  GLU AAA C   1 ? 
ATOM   202  O  O   . GLU A 1 26  ? -0.029  1.100   32.043  1.000 15.081 ? 26  GLU AAA O   1 ? 
ATOM   203  C  CB  . GLU A 1 26  ? 2.234   3.030   32.636  1.000 16.856 ? 26  GLU AAA CB  1 ? 
ATOM   204  C  CG  . GLU A 1 26  ? 3.624   3.270   33.239  1.000 21.106 ? 26  GLU AAA CG  1 ? 
ATOM   205  C  CD  . GLU A 1 26  ? 4.211   2.054   33.919  1.000 24.171 ? 26  GLU AAA CD  1 ? 
ATOM   206  O  OE1 . GLU A 1 26  ? 3.581   1.540   34.858  1.000 32.478 ? 26  GLU AAA OE1 1 ? 
ATOM   207  O  OE2 . GLU A 1 26  ? 5.266   1.586   33.484  1.000 29.070 ? 26  GLU AAA OE2 1 ? 
ATOM   208  N  N   . ARG A 1 27  ? 0.401   1.971   29.976  1.000 12.234 ? 27  ARG AAA N   1 ? 
ATOM   209  C  CA  . ARG A 1 27  ? -1.018  1.789   29.583  1.000 11.694 ? 27  ARG AAA CA  1 ? 
ATOM   210  C  C   . ARG A 1 27  ? -1.069  1.310   28.139  1.000 9.917  ? 27  ARG AAA C   1 ? 
ATOM   211  O  O   . ARG A 1 27  ? -1.789  1.874   27.332  1.000 10.218 ? 27  ARG AAA O   1 ? 
ATOM   212  C  CB  . ARG A 1 27  ? -1.870  3.005   29.937  1.000 14.372 ? 27  ARG AAA CB  1 ? 
ATOM   213  C  CG  . ARG A 1 27  ? -1.539  4.303   29.244  1.000 15.852 ? 27  ARG AAA CG  1 ? 
ATOM   214  C  CD  . ARG A 1 27  ? -2.638  5.323   29.534  1.000 16.286 ? 27  ARG AAA CD  1 ? 
ATOM   215  N  NE  . ARG A 1 27  ? -3.772  5.336   28.602  1.000 15.810 ? 27  ARG AAA NE  1 ? 
ATOM   216  C  CZ  . ARG A 1 27  ? -4.723  6.265   28.599  1.000 16.386 ? 27  ARG AAA CZ  1 ? 
ATOM   217  N  NH1 . ARG A 1 27  ? -4.689  7.242   29.499  1.000 18.837 ? 27  ARG AAA NH1 1 ? 
ATOM   218  N  NH2 . ARG A 1 27  ? -5.722  6.258   27.733  1.000 17.038 ? 27  ARG AAA NH2 1 ? 
ATOM   219  N  N   . GLN A 1 28  ? -0.363  0.224   27.864  1.000 9.512  ? 28  GLN AAA N   1 ? 
ATOM   220  C  CA  . GLN A 1 28  ? -0.293  -0.330  26.490  1.000 9.140  ? 28  GLN AAA CA  1 ? 
ATOM   221  C  C   . GLN A 1 28  ? -1.458  -1.288  26.225  1.000 8.551  ? 28  GLN AAA C   1 ? 
ATOM   222  O  O   . GLN A 1 28  ? -1.937  -1.931  27.145  1.000 9.573  ? 28  GLN AAA O   1 ? 
ATOM   223  C  CB  . GLN A 1 28  ? 1.068   -0.997  26.275  1.000 8.903  ? 28  GLN AAA CB  1 ? 
ATOM   224  C  CG  . GLN A 1 28  ? 2.179   0.055   26.150  1.000 9.204  ? 28  GLN AAA CG  1 ? 
ATOM   225  C  CD  . GLN A 1 28  ? 2.058   0.846   24.859  1.000 8.930  ? 28  GLN AAA CD  1 ? 
ATOM   226  O  OE1 . GLN A 1 28  ? 2.282   0.284   23.769  1.000 9.346  ? 28  GLN AAA OE1 1 ? 
ATOM   227  N  NE2 . GLN A 1 28  ? 1.666   2.097   24.973  1.000 9.720  ? 28  GLN AAA NE2 1 ? 
ATOM   228  N  N   . SER A 1 29  ? -1.854  -1.338  24.961  1.000 8.922  ? 29  SER AAA N   1 ? 
ATOM   229  C  CA  . SER A 1 29  ? -2.926  -2.223  24.456  1.000 7.388  ? 29  SER AAA CA  1 ? 
ATOM   230  C  C   . SER A 1 29  ? -2.412  -3.116  23.333  1.000 7.793  ? 29  SER AAA C   1 ? 
ATOM   231  O  O   . SER A 1 29  ? -1.430  -2.793  22.674  1.000 7.713  ? 29  SER AAA O   1 ? 
ATOM   232  C  CB  . SER A 1 29  ? -4.064  -1.410  23.919  1.000 7.874  ? 29  SER AAA CB  1 ? 
ATOM   233  O  OG  . SER A 1 29  ? -4.679  -0.631  24.943  1.000 8.533  ? 29  SER AAA OG  1 ? 
ATOM   234  N  N   . PRO A 1 30  ? -3.044  -4.261  23.077  1.000 7.579  ? 30  PRO AAA N   1 ? 
ATOM   235  C  CA  . PRO A 1 30  ? -4.188  -4.767  23.822  1.000 7.861  ? 30  PRO AAA CA  1 ? 
ATOM   236  C  C   . PRO A 1 30  ? -3.826  -5.460  25.132  1.000 7.870  ? 30  PRO AAA C   1 ? 
ATOM   237  O  O   . PRO A 1 30  ? -2.635  -5.522  25.466  1.000 8.058  ? 30  PRO AAA O   1 ? 
ATOM   238  C  CB  . PRO A 1 30  ? -4.697  -5.817  22.820  1.000 7.522  ? 30  PRO AAA CB  1 ? 
ATOM   239  C  CG  . PRO A 1 30  ? -3.489  -6.428  22.240  1.000 7.497  ? 30  PRO AAA CG  1 ? 
ATOM   240  C  CD  . PRO A 1 30  ? -2.598  -5.228  22.050  1.000 7.680  ? 30  PRO AAA CD  1 ? 
ATOM   241  N  N   . VAL A 1 31  ? -4.836  -5.977  25.815  1.000 7.988  ? 31  VAL AAA N   1 ? 
ATOM   242  C  CA  . VAL A 1 31  ? -4.661  -6.748  27.077  1.000 8.366  ? 31  VAL AAA CA  1 ? 
ATOM   243  C  C   . VAL A 1 31  ? -5.544  -7.977  27.034  1.000 9.108  ? 31  VAL AAA C   1 ? 
ATOM   244  O  O   . VAL A 1 31  ? -6.540  -8.047  26.262  1.000 9.152  ? 31  VAL AAA O   1 ? 
ATOM   245  C  CB  . VAL A 1 31  ? -4.963  -5.869  28.318  1.000 8.328  ? 31  VAL AAA CB  1 ? 
ATOM   246  C  CG1 . VAL A 1 31  ? -4.091  -4.638  28.282  1.000 9.666  ? 31  VAL AAA CG1 1 ? 
ATOM   247  C  CG2 . VAL A 1 31  ? -6.450  -5.516  28.375  1.000 8.026  ? 31  VAL AAA CG2 1 ? 
ATOM   248  N  N   . ASP A 1 32  ? -5.220  -8.921  27.901  1.000 9.563  ? 32  ASP AAA N   1 ? 
ATOM   249  C  CA  . ASP A 1 32  ? -6.129  -10.034 28.240  1.000 10.069 ? 32  ASP AAA CA  1 ? 
ATOM   250  C  C   . ASP A 1 32  ? -7.164  -9.501  29.227  1.000 10.663 ? 32  ASP AAA C   1 ? 
ATOM   251  O  O   . ASP A 1 32  ? -6.795  -8.797  30.147  1.000 11.825 ? 32  ASP AAA O   1 ? 
ATOM   252  C  CB  . ASP A 1 32  ? -5.388  -11.216 28.849  1.000 10.703 ? 32  ASP AAA CB  1 ? 
ATOM   253  C  CG  . ASP A 1 32  ? -6.295  -12.386 29.153  1.000 12.480 ? 32  ASP AAA CG  1 ? 
ATOM   254  O  OD1 . ASP A 1 32  ? -7.043  -12.850 28.242  1.000 12.499 ? 32  ASP AAA OD1 1 ? 
ATOM   255  O  OD2 . ASP A 1 32  ? -6.363  -12.787 30.368  1.000 16.213 ? 32  ASP AAA OD2 1 ? 
ATOM   256  N  N   . ILE A 1 33  ? -8.416  -9.804  28.976  1.000 10.160 ? 33  ILE AAA N   1 ? 
ATOM   257  C  CA  . ILE A 1 33  ? -9.560  -9.479  29.861  1.000 11.080 ? 33  ILE AAA CA  1 ? 
ATOM   258  C  C   . ILE A 1 33  ? -9.869  -10.699 30.705  1.000 12.028 ? 33  ILE AAA C   1 ? 
ATOM   259  O  O   . ILE A 1 33  ? -10.353 -11.678 30.134  1.000 12.036 ? 33  ILE AAA O   1 ? 
ATOM   260  C  CB  . ILE A 1 33  ? -10.772 -9.036  29.024  1.000 11.742 ? 33  ILE AAA CB  1 ? 
ATOM   261  C  CG1 . ILE A 1 33  ? -10.424 -7.788  28.206  1.000 13.429 ? 33  ILE AAA CG1 1 ? 
ATOM   262  C  CG2 . ILE A 1 33  ? -11.955 -8.826  29.965  1.000 13.565 ? 33  ILE AAA CG2 1 ? 
ATOM   263  C  CD1 . ILE A 1 33  ? -11.387 -7.495  27.071  1.000 13.138 ? 33  ILE AAA CD1 1 ? 
ATOM   264  N  N   . ASP A 1 34  ? -9.457  -10.672 31.972  1.000 12.827 ? 34  ASP AAA N   1 ? 
ATOM   265  C  CA  A ASP A 1 34  ? -9.750  -11.781 32.916  0.500 13.601 ? 34  ASP AAA CA  1 ? 
ATOM   266  C  CA  B ASP A 1 34  ? -9.740  -11.768 32.943  0.500 13.802 ? 34  ASP AAA CA  1 ? 
ATOM   267  C  C   . ASP A 1 34  ? -11.169 -11.539 33.430  1.000 13.072 ? 34  ASP AAA C   1 ? 
ATOM   268  O  O   . ASP A 1 34  ? -11.363 -10.561 34.169  1.000 13.896 ? 34  ASP AAA O   1 ? 
ATOM   269  C  CB  A ASP A 1 34  ? -8.668  -11.871 33.990  0.500 14.649 ? 34  ASP AAA CB  1 ? 
ATOM   270  C  CB  B ASP A 1 34  ? -8.694  -11.777 34.063  0.500 15.104 ? 34  ASP AAA CB  1 ? 
ATOM   271  C  CG  A ASP A 1 34  ? -8.738  -13.179 34.758  0.500 16.089 ? 34  ASP AAA CG  1 ? 
ATOM   272  C  CG  B ASP A 1 34  ? -8.947  -12.796 35.170  0.500 17.140 ? 34  ASP AAA CG  1 ? 
ATOM   273  O  OD1 A ASP A 1 34  ? -8.263  -14.198 34.217  0.500 15.567 ? 34  ASP AAA OD1 1 ? 
ATOM   274  O  OD1 B ASP A 1 34  ? -10.128 -13.190 35.362  0.500 16.710 ? 34  ASP AAA OD1 1 ? 
ATOM   275  O  OD2 A ASP A 1 34  ? -9.332  -13.161 35.866  0.500 19.074 ? 34  ASP AAA OD2 1 ? 
ATOM   276  O  OD2 B ASP A 1 34  ? -7.963  -13.195 35.835  0.500 19.340 ? 34  ASP AAA OD2 1 ? 
ATOM   277  N  N   . THR A 1 35  ? -12.133 -12.308 32.944  1.000 13.957 ? 35  THR AAA N   1 ? 
ATOM   278  C  CA  . THR A 1 35  ? -13.580 -12.095 33.240  1.000 15.134 ? 35  THR AAA CA  1 ? 
ATOM   279  C  C   . THR A 1 35  ? -13.898 -12.243 34.731  1.000 17.221 ? 35  THR AAA C   1 ? 
ATOM   280  O  O   . THR A 1 35  ? -14.937 -11.689 35.160  1.000 22.188 ? 35  THR AAA O   1 ? 
ATOM   281  C  CB  . THR A 1 35  ? -14.467 -13.062 32.449  1.000 16.406 ? 35  THR AAA CB  1 ? 
ATOM   282  O  OG1 . THR A 1 35  ? -14.176 -14.391 32.873  1.000 17.083 ? 35  THR AAA OG1 1 ? 
ATOM   283  C  CG2 . THR A 1 35  ? -14.302 -12.942 30.941  1.000 15.699 ? 35  THR AAA CG2 1 ? 
ATOM   284  N  N   . HIS A 1 36  ? -13.052 -12.913 35.511  1.000 17.724 ? 36  HIS AAA N   1 ? 
ATOM   285  C  CA  . HIS A 1 36  ? -13.315 -13.117 36.962  1.000 19.757 ? 36  HIS AAA CA  1 ? 
ATOM   286  C  C   . HIS A 1 36  ? -12.669 -11.980 37.776  1.000 23.563 ? 36  HIS AAA C   1 ? 
ATOM   287  O  O   . HIS A 1 36  ? -12.934 -11.912 38.982  1.000 29.776 ? 36  HIS AAA O   1 ? 
ATOM   288  C  CB  . HIS A 1 36  ? -12.850 -14.533 37.327  1.000 20.097 ? 36  HIS AAA CB  1 ? 
ATOM   289  C  CG  . HIS A 1 36  ? -13.762 -15.602 36.818  1.000 22.237 ? 36  HIS AAA CG  1 ? 
ATOM   290  N  ND1 . HIS A 1 36  ? -13.380 -16.505 35.821  1.000 26.135 ? 36  HIS AAA ND1 1 ? 
ATOM   291  C  CD2 . HIS A 1 36  ? -15.039 -15.913 37.141  1.000 25.055 ? 36  HIS AAA CD2 1 ? 
ATOM   292  C  CE1 . HIS A 1 36  ? -14.376 -17.317 35.566  1.000 25.890 ? 36  HIS AAA CE1 1 ? 
ATOM   293  N  NE2 . HIS A 1 36  ? -15.411 -16.984 36.365  1.000 27.891 ? 36  HIS AAA NE2 1 ? 
ATOM   294  N  N   . THR A 1 37  ? -11.867 -11.104 37.164  1.000 21.972 ? 37  THR AAA N   1 ? 
ATOM   295  C  CA  . THR A 1 37  ? -11.137 -9.994  37.846  1.000 21.585 ? 37  THR AAA CA  1 ? 
ATOM   296  C  C   . THR A 1 37  ? -11.792 -8.666  37.456  1.000 20.774 ? 37  THR AAA C   1 ? 
ATOM   297  O  O   . THR A 1 37  ? -11.658 -7.706  38.194  1.000 23.150 ? 37  THR AAA O   1 ? 
ATOM   298  C  CB  . THR A 1 37  ? -9.637  -10.016 37.517  1.000 23.962 ? 37  THR AAA CB  1 ? 
ATOM   299  O  OG1 . THR A 1 37  ? -9.115  -11.255 37.976  1.000 28.308 ? 37  THR AAA OG1 1 ? 
ATOM   300  C  CG2 . THR A 1 37  ? -8.818  -8.947  38.200  1.000 27.416 ? 37  THR AAA CG2 1 ? 
ATOM   301  N  N   . ALA A 1 38  ? -12.432 -8.592  36.292  1.000 19.883 ? 38  ALA AAA N   1 ? 
ATOM   302  C  CA  . ALA A 1 38  ? -13.138 -7.373  35.845  1.000 18.126 ? 38  ALA AAA CA  1 ? 
ATOM   303  C  C   . ALA A 1 38  ? -14.343 -7.136  36.754  1.000 22.153 ? 38  ALA AAA C   1 ? 
ATOM   304  O  O   . ALA A 1 38  ? -15.076 -8.071  37.040  1.000 23.274 ? 38  ALA AAA O   1 ? 
ATOM   305  C  CB  . ALA A 1 38  ? -13.530 -7.455  34.409  1.000 19.439 ? 38  ALA AAA CB  1 ? 
ATOM   306  N  N   . LYS A 1 39  ? -14.505 -5.903  37.220  1.000 21.365 ? 39  LYS AAA N   1 ? 
ATOM   307  C  CA  . LYS A 1 39  ? -15.544 -5.572  38.220  1.000 24.194 ? 39  LYS AAA CA  1 ? 
ATOM   308  C  C   . LYS A 1 39  ? -16.705 -4.873  37.520  1.000 20.127 ? 39  LYS AAA C   1 ? 
ATOM   309  O  O   . LYS A 1 39  ? -16.472 -3.862  36.854  1.000 16.886 ? 39  LYS AAA O   1 ? 
ATOM   310  C  CB  . LYS A 1 39  ? -14.947 -4.715  39.332  1.000 27.647 ? 39  LYS AAA CB  1 ? 
ATOM   311  C  CG  . LYS A 1 39  ? -15.770 -4.730  40.611  1.000 32.457 ? 39  LYS AAA CG  1 ? 
ATOM   312  C  CD  . LYS A 1 39  ? -15.196 -3.853  41.702  1.000 35.332 ? 39  LYS AAA CD  1 ? 
ATOM   313  C  CE  . LYS A 1 39  ? -16.228 -3.449  42.735  1.000 37.937 ? 39  LYS AAA CE  1 ? 
ATOM   314  N  NZ  . LYS A 1 39  ? -16.713 -4.633  43.477  1.000 39.786 ? 39  LYS AAA NZ  1 ? 
ATOM   315  N  N   . TYR A 1 40  ? -17.917 -5.369  37.719  1.000 20.556 ? 40  TYR AAA N   1 ? 
ATOM   316  C  CA  . TYR A 1 40  ? -19.145 -4.619  37.391  1.000 20.741 ? 40  TYR AAA CA  1 ? 
ATOM   317  C  C   . TYR A 1 40  ? -19.010 -3.255  38.047  1.000 19.191 ? 40  TYR AAA C   1 ? 
ATOM   318  O  O   . TYR A 1 40  ? -18.755 -3.170  39.279  1.000 20.373 ? 40  TYR AAA O   1 ? 
ATOM   319  C  CB  . TYR A 1 40  ? -20.429 -5.315  37.873  1.000 22.956 ? 40  TYR AAA CB  1 ? 
ATOM   320  C  CG  . TYR A 1 40  ? -21.680 -4.492  37.673  1.000 26.756 ? 40  TYR AAA CG  1 ? 
ATOM   321  C  CD1 . TYR A 1 40  ? -22.035 -4.007  36.429  1.000 26.710 ? 40  TYR AAA CD1 1 ? 
ATOM   322  C  CD2 . TYR A 1 40  ? -22.522 -4.184  38.734  1.000 29.798 ? 40  TYR AAA CD2 1 ? 
ATOM   323  C  CE1 . TYR A 1 40  ? -23.166 -3.231  36.232  1.000 28.877 ? 40  TYR AAA CE1 1 ? 
ATOM   324  C  CE2 . TYR A 1 40  ? -23.662 -3.412  38.562  1.000 33.496 ? 40  TYR AAA CE2 1 ? 
ATOM   325  C  CZ  . TYR A 1 40  ? -23.985 -2.924  37.306  1.000 33.230 ? 40  TYR AAA CZ  1 ? 
ATOM   326  O  OH  . TYR A 1 40  ? -25.094 -2.148  37.118  1.000 36.263 ? 40  TYR AAA OH  1 ? 
ATOM   327  N  N   . ASP A 1 41  ? -19.219 -2.223  37.259  1.000 18.003 ? 41  ASP AAA N   1 ? 
ATOM   328  C  CA  . ASP A 1 41  ? -19.229 -0.803  37.694  1.000 19.999 ? 41  ASP AAA CA  1 ? 
ATOM   329  C  C   . ASP A 1 41  ? -20.616 -0.219  37.417  1.000 22.956 ? 41  ASP AAA C   1 ? 
ATOM   330  O  O   . ASP A 1 41  ? -20.919 0.200   36.311  1.000 23.119 ? 41  ASP AAA O   1 ? 
ATOM   331  C  CB  . ASP A 1 41  ? -18.139 -0.006  36.978  1.000 21.116 ? 41  ASP AAA CB  1 ? 
ATOM   332  C  CG  . ASP A 1 41  ? -18.078 1.440   37.447  1.000 24.730 ? 41  ASP AAA CG  1 ? 
ATOM   333  O  OD1 . ASP A 1 41  ? -19.011 1.836   38.170  1.000 25.004 ? 41  ASP AAA OD1 1 ? 
ATOM   334  O  OD2 . ASP A 1 41  ? -17.117 2.146   37.084  1.000 27.092 ? 41  ASP AAA OD2 1 ? 
ATOM   335  N  N   . PRO A 1 42  ? -21.514 -0.108  38.417  1.000 25.610 ? 42  PRO AAA N   1 ? 
ATOM   336  C  CA  . PRO A 1 42  ? -22.907 0.254   38.149  1.000 29.394 ? 42  PRO AAA CA  1 ? 
ATOM   337  C  C   . PRO A 1 42  ? -23.076 1.715   37.731  1.000 27.216 ? 42  PRO AAA C   1 ? 
ATOM   338  O  O   . PRO A 1 42  ? -24.167 2.074   37.323  1.000 32.142 ? 42  PRO AAA O   1 ? 
ATOM   339  C  CB  . PRO A 1 42  ? -23.577 0.040   39.516  1.000 30.201 ? 42  PRO AAA CB  1 ? 
ATOM   340  C  CG  . PRO A 1 42  ? -22.470 0.393   40.481  1.000 28.517 ? 42  PRO AAA CG  1 ? 
ATOM   341  C  CD  . PRO A 1 42  ? -21.242 -0.259  39.858  1.000 27.479 ? 42  PRO AAA CD  1 ? 
ATOM   342  N  N   . SER A 1 43  ? -22.032 2.528   37.907  1.000 27.631 ? 43  SER AAA N   1 ? 
ATOM   343  C  CA  . SER A 1 43  ? -22.006 3.967   37.534  1.000 28.353 ? 43  SER AAA CA  1 ? 
ATOM   344  C  C   . SER A 1 43  ? -21.676 4.175   36.050  1.000 28.888 ? 43  SER AAA C   1 ? 
ATOM   345  O  O   . SER A 1 43  ? -21.743 5.328   35.604  1.000 30.698 ? 43  SER AAA O   1 ? 
ATOM   346  C  CB  . SER A 1 43  ? -21.011 4.688   38.380  1.000 28.238 ? 43  SER AAA CB  1 ? 
ATOM   347  O  OG  . SER A 1 43  ? -19.724 4.160   38.158  1.000 30.820 ? 43  SER AAA OG  1 ? 
ATOM   348  N  N   . LEU A 1 44  ? -21.218 3.150   35.330  1.000 29.228 ? 44  LEU AAA N   1 ? 
ATOM   349  C  CA  . LEU A 1 44  ? -21.074 3.255   33.842  1.000 28.692 ? 44  LEU AAA CA  1 ? 
ATOM   350  C  C   . LEU A 1 44  ? -22.470 3.488   33.250  1.000 31.784 ? 44  LEU AAA C   1 ? 
ATOM   351  O  O   . LEU A 1 44  ? -23.373 2.666   33.488  1.000 36.482 ? 44  LEU AAA O   1 ? 
ATOM   352  C  CB  . LEU A 1 44  ? -20.445 1.989   33.252  1.000 24.923 ? 44  LEU AAA CB  1 ? 
ATOM   353  C  CG  . LEU A 1 44  ? -18.956 1.784   33.533  1.000 21.517 ? 44  LEU AAA CG  1 ? 
ATOM   354  C  CD1 . LEU A 1 44  ? -18.514 0.392   33.115  1.000 19.154 ? 44  LEU AAA CD1 1 ? 
ATOM   355  C  CD2 . LEU A 1 44  ? -18.099 2.820   32.824  1.000 19.830 ? 44  LEU AAA CD2 1 ? 
ATOM   356  N  N   . LYS A 1 45  ? -22.642 4.592   32.537  1.000 33.561 ? 45  LYS AAA N   1 ? 
ATOM   357  C  CA  . LYS A 1 45  ? -23.889 4.922   31.803  1.000 35.503 ? 45  LYS AAA CA  1 ? 
ATOM   358  C  C   . LYS A 1 45  ? -24.067 3.961   30.636  1.000 34.551 ? 45  LYS AAA C   1 ? 
ATOM   359  O  O   . LYS A 1 45  ? -23.122 3.346   30.160  1.000 33.218 ? 45  LYS AAA O   1 ? 
ATOM   360  C  CB  . LYS A 1 45  ? -23.828 6.374   31.329  1.000 36.497 ? 45  LYS AAA CB  1 ? 
ATOM   361  C  CG  . LYS A 1 45  ? -23.822 7.394   32.452  1.000 39.130 ? 45  LYS AAA CG  1 ? 
ATOM   362  C  CD  . LYS A 1 45  ? -24.939 7.153   33.446  1.000 38.969 ? 45  LYS AAA CD  1 ? 
ATOM   363  N  N   . PRO A 1 46  ? -25.296 3.772   30.111  1.000 38.409 ? 46  PRO AAA N   1 ? 
ATOM   364  C  CA  . PRO A 1 46  ? -25.445 3.029   28.868  1.000 32.020 ? 46  PRO AAA CA  1 ? 
ATOM   365  C  C   . PRO A 1 46  ? -24.613 3.676   27.744  1.000 26.813 ? 46  PRO AAA C   1 ? 
ATOM   366  O  O   . PRO A 1 46  ? -24.443 4.869   27.693  1.000 28.782 ? 46  PRO AAA O   1 ? 
ATOM   367  C  CB  . PRO A 1 46  ? -26.963 3.067   28.591  1.000 35.434 ? 46  PRO AAA CB  1 ? 
ATOM   368  C  CG  . PRO A 1 46  ? -27.461 4.224   29.436  1.000 37.583 ? 46  PRO AAA CG  1 ? 
ATOM   369  C  CD  . PRO A 1 46  ? -26.586 4.205   30.668  1.000 41.808 ? 46  PRO AAA CD  1 ? 
ATOM   370  N  N   . LEU A 1 47  ? -24.153 2.839   26.845  1.000 24.484 ? 47  LEU AAA N   1 ? 
ATOM   371  C  CA  . LEU A 1 47  ? -23.374 3.241   25.659  1.000 21.122 ? 47  LEU AAA CA  1 ? 
ATOM   372  C  C   . LEU A 1 47  ? -24.333 3.754   24.574  1.000 19.916 ? 47  LEU AAA C   1 ? 
ATOM   373  O  O   . LEU A 1 47  ? -25.380 3.118   24.324  1.000 21.164 ? 47  LEU AAA O   1 ? 
ATOM   374  C  CB  . LEU A 1 47  ? -22.598 2.016   25.212  1.000 23.437 ? 47  LEU AAA CB  1 ? 
ATOM   375  C  CG  . LEU A 1 47  ? -21.448 2.270   24.265  1.000 22.364 ? 47  LEU AAA CG  1 ? 
ATOM   376  C  CD1 . LEU A 1 47  ? -20.413 3.162   24.935  1.000 21.411 ? 47  LEU AAA CD1 1 ? 
ATOM   377  C  CD2 . LEU A 1 47  ? -20.834 0.944   23.812  1.000 22.082 ? 47  LEU AAA CD2 1 ? 
ATOM   378  N  N   . SER A 1 48  ? -23.985 4.850   23.934  1.000 16.490 ? 48  SER AAA N   1 ? 
ATOM   379  C  CA  . SER A 1 48  ? -24.758 5.463   22.836  1.000 17.221 ? 48  SER AAA CA  1 ? 
ATOM   380  C  C   . SER A 1 48  ? -23.930 5.351   21.553  1.000 16.146 ? 48  SER AAA C   1 ? 
ATOM   381  O  O   . SER A 1 48  ? -22.958 6.102   21.409  1.000 14.065 ? 48  SER AAA O   1 ? 
ATOM   382  C  CB  . SER A 1 48  ? -25.091 6.910   23.167  1.000 18.549 ? 48  SER AAA CB  1 ? 
ATOM   383  O  OG  . SER A 1 48  ? -25.850 7.493   22.126  1.000 21.566 ? 48  SER AAA OG  1 ? 
ATOM   384  N  N   . VAL A 1 49  ? -24.318 4.478   20.630  1.000 16.853 ? 49  VAL AAA N   1 ? 
ATOM   385  C  CA  . VAL A 1 49  ? -23.723 4.372   19.269  1.000 18.435 ? 49  VAL AAA CA  1 ? 
ATOM   386  C  C   . VAL A 1 49  ? -24.721 4.984   18.289  1.000 19.602 ? 49  VAL AAA C   1 ? 
ATOM   387  O  O   . VAL A 1 49  ? -25.817 4.459   18.147  1.000 22.377 ? 49  VAL AAA O   1 ? 
ATOM   388  C  CB  . VAL A 1 49  ? -23.389 2.901   18.976  1.000 18.479 ? 49  VAL AAA CB  1 ? 
ATOM   389  C  CG1 . VAL A 1 49  ? -22.556 2.723   17.701  1.000 18.642 ? 49  VAL AAA CG1 1 ? 
ATOM   390  C  CG2 . VAL A 1 49  ? -22.735 2.259   20.176  1.000 20.143 ? 49  VAL AAA CG2 1 ? 
ATOM   391  N  N   . SER A 1 50  ? -24.413 6.136   17.725  1.000 17.756 ? 50  SER AAA N   1 ? 
ATOM   392  C  CA  . SER A 1 50  ? -25.344 6.877   16.854  1.000 18.553 ? 50  SER AAA CA  1 ? 
ATOM   393  C  C   . SER A 1 50  ? -24.692 6.996   15.481  1.000 18.692 ? 50  SER AAA C   1 ? 
ATOM   394  O  O   . SER A 1 50  ? -24.027 7.984   15.233  1.000 17.595 ? 50  SER AAA O   1 ? 
ATOM   395  C  CB  . SER A 1 50  ? -25.708 8.207   17.463  1.000 22.501 ? 50  SER AAA CB  1 ? 
ATOM   396  O  OG  . SER A 1 50  ? -26.204 8.001   18.774  1.000 30.539 ? 50  SER AAA OG  1 ? 
ATOM   397  N  N   . TYR A 1 51  ? -24.918 5.991   14.647  1.000 17.518 ? 51  TYR AAA N   1 ? 
ATOM   398  C  CA  . TYR A 1 51  ? -24.298 5.800   13.313  1.000 16.376 ? 51  TYR AAA CA  1 ? 
ATOM   399  C  C   . TYR A 1 51  ? -25.309 6.059   12.187  1.000 18.361 ? 51  TYR AAA C   1 ? 
ATOM   400  O  O   . TYR A 1 51  ? -24.947 5.893   11.011  1.000 18.687 ? 51  TYR AAA O   1 ? 
ATOM   401  C  CB  . TYR A 1 51  ? -23.708 4.392   13.214  1.000 16.274 ? 51  TYR AAA CB  1 ? 
ATOM   402  C  CG  . TYR A 1 51  ? -22.449 4.122   14.001  1.000 14.677 ? 51  TYR AAA CG  1 ? 
ATOM   403  C  CD1 . TYR A 1 51  ? -21.692 5.124   14.597  1.000 14.246 ? 51  TYR AAA CD1 1 ? 
ATOM   404  C  CD2 . TYR A 1 51  ? -21.981 2.832   14.099  1.000 14.255 ? 51  TYR AAA CD2 1 ? 
ATOM   405  C  CE1 . TYR A 1 51  ? -20.527 4.829   15.290  1.000 13.597 ? 51  TYR AAA CE1 1 ? 
ATOM   406  C  CE2 . TYR A 1 51  ? -20.826 2.514   14.799  1.000 13.466 ? 51  TYR AAA CE2 1 ? 
ATOM   407  C  CZ  . TYR A 1 51  ? -20.081 3.523   15.370  1.000 12.951 ? 51  TYR AAA CZ  1 ? 
ATOM   408  O  OH  . TYR A 1 51  ? -18.932 3.233   16.044  1.000 12.937 ? 51  TYR AAA OH  1 ? 
ATOM   409  N  N   . ASP A 1 52  ? -26.536 6.485   12.479  1.000 20.921 ? 52  ASP AAA N   1 ? 
ATOM   410  C  CA  . ASP A 1 52  ? -27.561 6.528   11.397  1.000 23.289 ? 52  ASP AAA CA  1 ? 
ATOM   411  C  C   . ASP A 1 52  ? -27.168 7.559   10.313  1.000 22.007 ? 52  ASP AAA C   1 ? 
ATOM   412  O  O   . ASP A 1 52  ? -27.527 7.342   9.158   1.000 22.289 ? 52  ASP AAA O   1 ? 
ATOM   413  C  CB  . ASP A 1 52  ? -28.957 6.719   11.993  1.000 29.764 ? 52  ASP AAA CB  1 ? 
ATOM   414  C  CG  . ASP A 1 52  ? -29.465 8.119   11.795  1.000 34.430 ? 52  ASP AAA CG  1 ? 
ATOM   415  O  OD1 . ASP A 1 52  ? -29.117 8.984   12.634  1.000 37.627 ? 52  ASP AAA OD1 1 ? 
ATOM   416  O  OD2 . ASP A 1 52  ? -30.162 8.329   10.765  1.000 40.944 ? 52  ASP AAA OD2 1 ? 
ATOM   417  N  N   . GLN A 1 53  ? -26.445 8.637   10.639  1.000 22.302 ? 53  GLN AAA N   1 ? 
ATOM   418  C  CA  A GLN A 1 53  ? -26.040 9.670   9.643   0.510 20.942 ? 53  GLN AAA CA  1 ? 
ATOM   419  C  C   . GLN A 1 53  ? -24.578 9.474   9.187   1.000 19.330 ? 53  GLN AAA C   1 ? 
ATOM   420  O  O   . GLN A 1 53  ? -23.982 10.426  8.603   1.000 19.235 ? 53  GLN AAA O   1 ? 
ATOM   421  C  CB  A GLN A 1 53  ? -26.292 11.051  10.247  0.510 21.355 ? 53  GLN AAA CB  1 ? 
ATOM   422  C  CG  A GLN A 1 53  ? -27.777 11.360  10.410  0.510 21.612 ? 53  GLN AAA CG  1 ? 
ATOM   423  C  CD  A GLN A 1 53  ? -28.455 11.510  9.069   0.510 22.159 ? 53  GLN AAA CD  1 ? 
ATOM   424  O  OE1 A GLN A 1 53  ? -27.996 12.258  8.211   0.510 23.369 ? 53  GLN AAA OE1 1 ? 
ATOM   425  N  NE2 A GLN A 1 53  ? -29.544 10.787  8.860   0.510 22.450 ? 53  GLN AAA NE2 1 ? 
ATOM   426  N  N   . ALA A 1 54  ? -24.004 8.291   9.402   1.000 20.149 ? 54  ALA AAA N   1 ? 
ATOM   427  C  CA  . ALA A 1 54  ? -22.590 8.002   9.075   1.000 19.338 ? 54  ALA AAA CA  1 ? 
ATOM   428  C  C   . ALA A 1 54  ? -22.382 8.179   7.574   1.000 20.268 ? 54  ALA AAA C   1 ? 
ATOM   429  O  O   . ALA A 1 54  ? -23.254 7.737   6.796   1.000 21.511 ? 54  ALA AAA O   1 ? 
ATOM   430  C  CB  . ALA A 1 54  ? -22.164 6.632   9.517   1.000 19.451 ? 54  ALA AAA CB  1 ? 
ATOM   431  N  N   . THR A 1 55  ? -21.293 8.855   7.210   1.000 19.298 ? 55  THR AAA N   1 ? 
ATOM   432  C  CA  . THR A 1 55  ? -20.922 9.077   5.799   1.000 17.687 ? 55  THR AAA CA  1 ? 
ATOM   433  C  C   . THR A 1 55  ? -19.594 8.367   5.504   1.000 14.531 ? 55  THR AAA C   1 ? 
ATOM   434  O  O   . THR A 1 55  ? -18.563 8.990   5.723   1.000 14.134 ? 55  THR AAA O   1 ? 
ATOM   435  C  CB  . THR A 1 55  ? -20.870 10.576  5.489   1.000 21.555 ? 55  THR AAA CB  1 ? 
ATOM   436  O  OG1 . THR A 1 55  ? -22.185 11.104  5.641   1.000 27.907 ? 55  THR AAA OG1 1 ? 
ATOM   437  C  CG2 . THR A 1 55  ? -20.374 10.845  4.091   1.000 23.762 ? 55  THR AAA CG2 1 ? 
ATOM   438  N  N   . SER A 1 56  ? -19.623 7.144   4.984   1.000 12.524 ? 56  SER AAA N   1 ? 
ATOM   439  C  CA  . SER A 1 56  ? -18.375 6.438   4.563   1.000 13.604 ? 56  SER AAA CA  1 ? 
ATOM   440  C  C   . SER A 1 56  ? -17.922 7.027   3.227   1.000 13.544 ? 56  SER AAA C   1 ? 
ATOM   441  O  O   . SER A 1 56  ? -18.758 7.465   2.440   1.000 15.627 ? 56  SER AAA O   1 ? 
ATOM   442  C  CB  . SER A 1 56  ? -18.557 4.945   4.488   1.000 14.385 ? 56  SER AAA CB  1 ? 
ATOM   443  O  OG  . SER A 1 56  ? -19.382 4.622   3.359   1.000 13.403 ? 56  SER AAA OG  1 ? 
ATOM   444  N  N   . LEU A 1 57  ? -16.622 7.073   2.980   1.000 13.672 ? 57  LEU AAA N   1 ? 
ATOM   445  C  CA  . LEU A 1 57  ? -16.076 7.723   1.770   1.000 14.886 ? 57  LEU AAA CA  1 ? 
ATOM   446  C  C   . LEU A 1 57  ? -15.195 6.776   0.965   1.000 13.814 ? 57  LEU AAA C   1 ? 
ATOM   447  O  O   . LEU A 1 57  ? -15.243 6.797   -0.280  1.000 15.943 ? 57  LEU AAA O   1 ? 
ATOM   448  C  CB  . LEU A 1 57  ? -15.262 8.935   2.209   1.000 17.094 ? 57  LEU AAA CB  1 ? 
ATOM   449  C  CG  . LEU A 1 57  ? -16.080 10.152  2.673   1.000 19.979 ? 57  LEU AAA CG  1 ? 
ATOM   450  C  CD1 . LEU A 1 57  ? -15.159 11.233  3.215   1.000 20.260 ? 57  LEU AAA CD1 1 ? 
ATOM   451  C  CD2 . LEU A 1 57  ? -16.932 10.708  1.536   1.000 19.515 ? 57  LEU AAA CD2 1 ? 
ATOM   452  N  N   . ARG A 1 58  ? -14.317 6.022   1.630   1.000 13.394 ? 58  ARG AAA N   1 ? 
ATOM   453  C  CA  . ARG A 1 58  ? -13.176 5.427   0.908   1.000 13.297 ? 58  ARG AAA CA  1 ? 
ATOM   454  C  C   . ARG A 1 58  ? -12.685 4.228   1.704   1.000 11.821 ? 58  ARG AAA C   1 ? 
ATOM   455  O  O   . ARG A 1 58  ? -12.845 4.185   2.916   1.000 11.863 ? 58  ARG AAA O   1 ? 
ATOM   456  C  CB  . ARG A 1 58  ? -12.071 6.462   0.732   1.000 14.367 ? 58  ARG AAA CB  1 ? 
ATOM   457  C  CG  . ARG A 1 58  ? -11.059 6.092   -0.346  1.000 15.682 ? 58  ARG AAA CG  1 ? 
ATOM   458  C  CD  . ARG A 1 58  ? -9.961  7.140   -0.462  1.000 15.545 ? 58  ARG AAA CD  1 ? 
ATOM   459  N  NE  . ARG A 1 58  ? -9.117  7.201   0.728   1.000 17.358 ? 58  ARG AAA NE  1 ? 
ATOM   460  C  CZ  . ARG A 1 58  ? -7.804  7.452   0.751   1.000 16.409 ? 58  ARG AAA CZ  1 ? 
ATOM   461  N  NH1 . ARG A 1 58  ? -7.136  7.665   -0.373  1.000 19.323 ? 58  ARG AAA NH1 1 ? 
ATOM   462  N  NH2 . ARG A 1 58  ? -7.150  7.386   1.890   1.000 18.433 ? 58  ARG AAA NH2 1 ? 
ATOM   463  N  N   . ILE A 1 59  ? -12.130 3.271   1.011   1.000 10.633 ? 59  ILE AAA N   1 ? 
ATOM   464  C  CA  . ILE A 1 59  ? -11.470 2.128   1.676   1.000 10.481 ? 59  ILE AAA CA  1 ? 
ATOM   465  C  C   . ILE A 1 59  ? -10.032 2.106   1.182   1.000 11.186 ? 59  ILE AAA C   1 ? 
ATOM   466  O  O   . ILE A 1 59  ? -9.835  2.226   -0.037  1.000 10.983 ? 59  ILE AAA O   1 ? 
ATOM   467  C  CB  . ILE A 1 59  ? -12.223 0.800   1.476   1.000 9.256  ? 59  ILE AAA CB  1 ? 
ATOM   468  C  CG1 . ILE A 1 59  ? -11.664 -0.282  2.405   1.000 9.596  ? 59  ILE AAA CG1 1 ? 
ATOM   469  C  CG2 . ILE A 1 59  ? -12.223 0.383   0.029   1.000 10.292 ? 59  ILE AAA CG2 1 ? 
ATOM   470  C  CD1 . ILE A 1 59  ? -12.399 -1.588  2.319   1.000 10.829 ? 59  ILE AAA CD1 1 ? 
ATOM   471  N  N   . LEU A 1 60  ? -9.063  1.928   2.085   1.000 11.029 ? 60  LEU AAA N   1 ? 
ATOM   472  C  CA  . LEU A 1 60  ? -7.622  2.064   1.769   1.000 10.409 ? 60  LEU AAA CA  1 ? 
ATOM   473  C  C   . LEU A 1 60  ? -6.857  0.845   2.330   1.000 9.902  ? 60  LEU AAA C   1 ? 
ATOM   474  O  O   . LEU A 1 60  ? -7.041  0.485   3.501   1.000 10.585 ? 60  LEU AAA O   1 ? 
ATOM   475  C  CB  . LEU A 1 60  ? -7.070  3.356   2.371   1.000 12.258 ? 60  LEU AAA CB  1 ? 
ATOM   476  C  CG  . LEU A 1 60  ? -5.552  3.496   2.395   1.000 14.012 ? 60  LEU AAA CG  1 ? 
ATOM   477  C  CD1 . LEU A 1 60  ? -4.995  3.681   0.987   1.000 14.835 ? 60  LEU AAA CD1 1 ? 
ATOM   478  C  CD2 . LEU A 1 60  ? -5.096  4.646   3.292   1.000 15.052 ? 60  LEU AAA CD2 1 ? 
ATOM   479  N  N   . ASN A 1 61  ? -5.992  0.252   1.517   1.000 8.529  ? 61  ASN AAA N   1 ? 
ATOM   480  C  CA  . ASN A 1 61  ? -4.987  -0.717  2.007   1.000 10.429 ? 61  ASN AAA CA  1 ? 
ATOM   481  C  C   . ASN A 1 61  ? -3.779  0.120   2.404   1.000 11.637 ? 61  ASN AAA C   1 ? 
ATOM   482  O  O   . ASN A 1 61  ? -3.110  0.663   1.495   1.000 11.388 ? 61  ASN AAA O   1 ? 
ATOM   483  C  CB  . ASN A 1 61  ? -4.638  -1.778  0.962   1.000 10.560 ? 61  ASN AAA CB  1 ? 
ATOM   484  C  CG  . ASN A 1 61  ? -3.591  -2.779  1.402   1.000 10.896 ? 61  ASN AAA CG  1 ? 
ATOM   485  O  OD1 . ASN A 1 61  ? -2.759  -2.453  2.265   1.000 11.283 ? 61  ASN AAA OD1 1 ? 
ATOM   486  N  ND2 . ASN A 1 61  ? -3.629  -3.961  0.792   1.000 9.868  ? 61  ASN AAA ND2 1 ? 
ATOM   487  N  N   . ASN A 1 62  ? -3.493  0.218   3.689   1.000 10.834 ? 62  ASN AAA N   1 ? 
ATOM   488  C  CA  . ASN A 1 62  ? -2.341  1.012   4.187   1.000 12.705 ? 62  ASN AAA CA  1 ? 
ATOM   489  C  C   . ASN A 1 62  ? -1.077  0.178   4.438   1.000 13.014 ? 62  ASN AAA C   1 ? 
ATOM   490  O  O   . ASN A 1 62  ? -0.147  0.729   5.040   1.000 14.916 ? 62  ASN AAA O   1 ? 
ATOM   491  C  CB  . ASN A 1 62  ? -2.709  1.849   5.401   1.000 11.721 ? 62  ASN AAA CB  1 ? 
ATOM   492  C  CG  . ASN A 1 62  ? -3.032  1.014   6.611   1.000 12.610 ? 62  ASN AAA CG  1 ? 
ATOM   493  O  OD1 . ASN A 1 62  ? -2.755  -0.161  6.659   1.000 12.784 ? 62  ASN AAA OD1 1 ? 
ATOM   494  N  ND2 . ASN A 1 62  ? -3.690  1.635   7.571   1.000 16.763 ? 62  ASN AAA ND2 1 ? 
ATOM   495  N  N   . GLY A 1 63  ? -1.015  -1.080  4.013   1.000 12.865 ? 63  GLY AAA N   1 ? 
ATOM   496  C  CA  . GLY A 1 63  ? 0.133   -1.968  4.219   1.000 11.952 ? 63  GLY AAA CA  1 ? 
ATOM   497  C  C   . GLY A 1 63  ? 0.142   -2.683  5.559   1.000 12.461 ? 63  GLY AAA C   1 ? 
ATOM   498  O  O   . GLY A 1 63  ? 1.138   -3.424  5.800   1.000 14.088 ? 63  GLY AAA O   1 ? 
ATOM   499  N  N   . HIS A 1 64  ? -0.757  -2.321  6.471   1.000 12.309 ? 64  HIS AAA N   1 ? 
ATOM   500  C  CA  . HIS A 1 64  ? -0.866  -2.941  7.822   1.000 13.578 ? 64  HIS AAA CA  1 ? 
ATOM   501  C  C   . HIS A 1 64  ? -2.245  -3.560  7.986   1.000 13.591 ? 64  HIS AAA C   1 ? 
ATOM   502  O  O   . HIS A 1 64  ? -2.335  -4.652  8.543   1.000 16.240 ? 64  HIS AAA O   1 ? 
ATOM   503  C  CB  . HIS A 1 64  ? -0.632  -1.898  8.917   1.000 13.806 ? 64  HIS AAA CB  1 ? 
ATOM   504  C  CG  . HIS A 1 64  ? 0.580   -1.055  8.728   1.000 17.139 ? 64  HIS AAA CG  1 ? 
ATOM   505  N  ND1 . HIS A 1 64  ? 1.860   -1.601  8.825   1.000 19.531 ? 64  HIS AAA ND1 1 ? 
ATOM   506  C  CD2 . HIS A 1 64  ? 0.728   0.272   8.489   1.000 18.216 ? 64  HIS AAA CD2 1 ? 
ATOM   507  C  CE1 . HIS A 1 64  ? 2.755   -0.643  8.635   1.000 17.369 ? 64  HIS AAA CE1 1 ? 
ATOM   508  N  NE2 . HIS A 1 64  ? 2.086   0.507   8.373   1.000 20.205 ? 64  HIS AAA NE2 1 ? 
ATOM   509  N  N   . ALA A 1 65  ? -3.283  -2.919  7.476   1.000 11.962 ? 65  ALA AAA N   1 ? 
ATOM   510  C  CA  . ALA A 1 65  ? -4.675  -3.389  7.465   1.000 11.085 ? 65  ALA AAA CA  1 ? 
ATOM   511  C  C   . ALA A 1 65  ? -5.387  -2.715  6.289   1.000 10.327 ? 65  ALA AAA C   1 ? 
ATOM   512  O  O   . ALA A 1 65  ? -4.692  -2.096  5.430   1.000 12.037 ? 65  ALA AAA O   1 ? 
ATOM   513  C  CB  . ALA A 1 65  ? -5.319  -3.031  8.794   1.000 10.813 ? 65  ALA AAA CB  1 ? 
ATOM   514  N  N   . PHE A 1 66  ? -6.710  -2.750  6.257   1.000 9.894  ? 66  PHE AAA N   1 ? 
ATOM   515  C  CA  . PHE A 1 66  ? -7.490  -1.828  5.394   1.000 10.175 ? 66  PHE AAA CA  1 ? 
ATOM   516  C  C   . PHE A 1 66  ? -8.384  -0.983  6.280   1.000 10.537 ? 66  PHE AAA C   1 ? 
ATOM   517  O  O   . PHE A 1 66  ? -8.944  -1.465  7.254   1.000 10.023 ? 66  PHE AAA O   1 ? 
ATOM   518  C  CB  . PHE A 1 66  ? -8.292  -2.528  4.312   1.000 10.041 ? 66  PHE AAA CB  1 ? 
ATOM   519  C  CG  . PHE A 1 66  ? -9.339  -3.464  4.826   1.000 10.516 ? 66  PHE AAA CG  1 ? 
ATOM   520  C  CD1 . PHE A 1 66  ? -10.611 -3.011  5.156   1.000 9.963  ? 66  PHE AAA CD1 1 ? 
ATOM   521  C  CD2 . PHE A 1 66  ? -9.055  -4.804  5.015   1.000 12.029 ? 66  PHE AAA CD2 1 ? 
ATOM   522  C  CE1 . PHE A 1 66  ? -11.547 -3.883  5.683   1.000 10.350 ? 66  PHE AAA CE1 1 ? 
ATOM   523  C  CE2 . PHE A 1 66  ? -10.018 -5.691  5.463   1.000 11.580 ? 66  PHE AAA CE2 1 ? 
ATOM   524  C  CZ  . PHE A 1 66  ? -11.247 -5.221  5.852   1.000 11.224 ? 66  PHE AAA CZ  1 ? 
ATOM   525  N  N   . ASN A 1 67  ? -8.484  0.285   5.921   1.000 11.198 ? 67  ASN AAA N   1 ? 
ATOM   526  C  CA  . ASN A 1 67  ? -9.308  1.229   6.688   1.000 11.654 ? 67  ASN AAA CA  1 ? 
ATOM   527  C  C   . ASN A 1 67  ? -10.492 1.648   5.825   1.000 10.364 ? 67  ASN AAA C   1 ? 
ATOM   528  O  O   . ASN A 1 67  ? -10.274 2.075   4.646   1.000 11.701 ? 67  ASN AAA O   1 ? 
ATOM   529  C  CB  . ASN A 1 67  ? -8.543  2.477   7.047   1.000 12.232 ? 67  ASN AAA CB  1 ? 
ATOM   530  C  CG  . ASN A 1 67  ? -7.444  2.253   8.039   1.000 14.099 ? 67  ASN AAA CG  1 ? 
ATOM   531  O  OD1 . ASN A 1 67  ? -7.387  1.199   8.693   1.000 16.106 ? 67  ASN AAA OD1 1 ? 
ATOM   532  N  ND2 . ASN A 1 67  ? -6.607  3.266   8.203   1.000 17.348 ? 67  ASN AAA ND2 1 ? 
ATOM   533  N  N   . VAL A 1 68  ? -11.679 1.593   6.398   1.000 9.425  ? 68  VAL AAA N   1 ? 
ATOM   534  C  CA  . VAL A 1 68  ? -12.873 2.273   5.856   1.000 9.706  ? 68  VAL AAA CA  1 ? 
ATOM   535  C  C   . VAL A 1 68  ? -12.986 3.628   6.543   1.000 9.496  ? 68  VAL AAA C   1 ? 
ATOM   536  O  O   . VAL A 1 68  ? -13.113 3.667   7.759   1.000 8.952  ? 68  VAL AAA O   1 ? 
ATOM   537  C  CB  . VAL A 1 68  ? -14.135 1.427   6.020   1.000 9.090  ? 68  VAL AAA CB  1 ? 
ATOM   538  C  CG1 . VAL A 1 68  ? -15.328 2.260   5.588   1.000 9.442  ? 68  VAL AAA CG1 1 ? 
ATOM   539  C  CG2 . VAL A 1 68  ? -14.069 0.144   5.231   1.000 8.850  ? 68  VAL AAA CG2 1 ? 
ATOM   540  N  N   . GLU A 1 69  ? -12.895 4.703   5.750   1.000 10.017 ? 69  GLU AAA N   1 ? 
ATOM   541  C  CA  . GLU A 1 69  ? -12.760 6.091   6.216   1.000 10.792 ? 69  GLU AAA CA  1 ? 
ATOM   542  C  C   . GLU A 1 69  ? -14.113 6.782   6.104   1.000 10.324 ? 69  GLU AAA C   1 ? 
ATOM   543  O  O   . GLU A 1 69  ? -14.860 6.473   5.110   1.000 10.807 ? 69  GLU AAA O   1 ? 
ATOM   544  C  CB  . GLU A 1 69  ? -11.725 6.842   5.370   1.000 13.115 ? 69  GLU AAA CB  1 ? 
ATOM   545  C  CG  . GLU A 1 69  ? -10.330 6.231   5.395   1.000 13.994 ? 69  GLU AAA CG  1 ? 
ATOM   546  C  CD  . GLU A 1 69  ? -9.425  6.735   4.282   1.000 16.293 ? 69  GLU AAA CD  1 ? 
ATOM   547  O  OE1 . GLU A 1 69  ? -9.951  7.365   3.301   1.000 17.940 ? 69  GLU AAA OE1 1 ? 
ATOM   548  O  OE2 . GLU A 1 69  ? -8.188  6.491   4.350   1.000 17.873 ? 69  GLU AAA OE2 1 ? 
ATOM   549  N  N   . PHE A 1 70  ? -14.423 7.608   7.093   1.000 10.724 ? 70  PHE AAA N   1 ? 
ATOM   550  C  CA  . PHE A 1 70  ? -15.698 8.360   7.218   1.000 11.768 ? 70  PHE AAA CA  1 ? 
ATOM   551  C  C   . PHE A 1 70  ? -15.425 9.865   7.114   1.000 12.508 ? 70  PHE AAA C   1 ? 
ATOM   552  O  O   . PHE A 1 70  ? -14.358 10.334  7.556   1.000 13.482 ? 70  PHE AAA O   1 ? 
ATOM   553  C  CB  . PHE A 1 70  ? -16.391 8.007   8.545   1.000 11.277 ? 70  PHE AAA CB  1 ? 
ATOM   554  C  CG  . PHE A 1 70  ? -16.981 6.622   8.523   1.000 10.733 ? 70  PHE AAA CG  1 ? 
ATOM   555  C  CD1 . PHE A 1 70  ? -16.175 5.515   8.746   1.000 11.910 ? 70  PHE AAA CD1 1 ? 
ATOM   556  C  CD2 . PHE A 1 70  ? -18.297 6.412   8.146   1.000 12.540 ? 70  PHE AAA CD2 1 ? 
ATOM   557  C  CE1 . PHE A 1 70  ? -16.663 4.239   8.575   1.000 12.301 ? 70  PHE AAA CE1 1 ? 
ATOM   558  C  CE2 . PHE A 1 70  ? -18.809 5.128   8.058   1.000 12.979 ? 70  PHE AAA CE2 1 ? 
ATOM   559  C  CZ  . PHE A 1 70  ? -17.987 4.042   8.264   1.000 13.087 ? 70  PHE AAA CZ  1 ? 
ATOM   560  N  N   . ASP A 1 71  ? -16.394 10.610  6.605   1.000 15.970 ? 71  ASP AAA N   1 ? 
ATOM   561  C  CA  . ASP A 1 71  ? -16.445 12.089  6.784   1.000 16.746 ? 71  ASP AAA CA  1 ? 
ATOM   562  C  C   . ASP A 1 71  ? -16.644 12.419  8.273   1.000 18.829 ? 71  ASP AAA C   1 ? 
ATOM   563  O  O   . ASP A 1 71  ? -17.755 12.249  8.750   1.000 20.723 ? 71  ASP AAA O   1 ? 
ATOM   564  C  CB  . ASP A 1 71  ? -17.583 12.726  5.986   1.000 19.830 ? 71  ASP AAA CB  1 ? 
ATOM   565  C  CG  . ASP A 1 71  ? -17.715 14.223  6.234   1.000 20.965 ? 71  ASP AAA CG  1 ? 
ATOM   566  O  OD1 . ASP A 1 71  ? -16.796 14.808  6.823   1.000 23.606 ? 71  ASP AAA OD1 1 ? 
ATOM   567  O  OD2 . ASP A 1 71  ? -18.747 14.812  5.814   1.000 28.274 ? 71  ASP AAA OD2 1 ? 
ATOM   568  N  N   . ASP A 1 72  ? -15.625 12.944  8.956   1.000 19.309 ? 72  ASP AAA N   1 ? 
ATOM   569  C  CA  . ASP A 1 72  ? -15.652 13.375  10.379  1.000 19.533 ? 72  ASP AAA CA  1 ? 
ATOM   570  C  C   . ASP A 1 72  ? -15.508 14.908  10.492  1.000 21.668 ? 72  ASP AAA C   1 ? 
ATOM   571  O  O   . ASP A 1 72  ? -15.025 15.377  11.516  1.000 23.421 ? 72  ASP AAA O   1 ? 
ATOM   572  C  CB  . ASP A 1 72  ? -14.539 12.654  11.149  1.000 21.820 ? 72  ASP AAA CB  1 ? 
ATOM   573  C  CG  . ASP A 1 72  ? -13.152 13.041  10.673  1.000 21.736 ? 72  ASP AAA CG  1 ? 
ATOM   574  O  OD1 . ASP A 1 72  ? -13.029 13.544  9.556   1.000 24.243 ? 72  ASP AAA OD1 1 ? 
ATOM   575  O  OD2 . ASP A 1 72  ? -12.194 12.779  11.390  1.000 22.296 ? 72  ASP AAA OD2 1 ? 
ATOM   576  N  N   . SER A 1 73  ? -15.891 15.651  9.461   1.000 23.959 ? 73  SER AAA N   1 ? 
ATOM   577  C  CA  . SER A 1 73  ? -15.806 17.133  9.409   1.000 26.367 ? 73  SER AAA CA  1 ? 
ATOM   578  C  C   . SER A 1 73  ? -17.044 17.742  10.076  1.000 28.098 ? 73  SER AAA C   1 ? 
ATOM   579  O  O   . SER A 1 73  ? -17.129 18.989  10.085  1.000 29.495 ? 73  SER AAA O   1 ? 
ATOM   580  C  CB  . SER A 1 73  ? -15.659 17.618  7.985   1.000 24.875 ? 73  SER AAA CB  1 ? 
ATOM   581  O  OG  . SER A 1 73  ? -16.838 17.354  7.241   1.000 24.672 ? 73  SER AAA OG  1 ? 
ATOM   582  N  N   . GLN A 1 74  ? -17.986 16.900  10.536  1.000 28.176 ? 74  GLN AAA N   1 ? 
ATOM   583  C  CA  . GLN A 1 74  ? -19.172 17.258  11.370  1.000 28.723 ? 74  GLN AAA CA  1 ? 
ATOM   584  C  C   . GLN A 1 74  ? -19.549 16.060  12.238  1.000 29.876 ? 74  GLN AAA C   1 ? 
ATOM   585  O  O   . GLN A 1 74  ? -19.062 14.968  11.924  1.000 25.391 ? 74  GLN AAA O   1 ? 
ATOM   586  C  CB  . GLN A 1 74  ? -20.422 17.559  10.539  1.000 33.597 ? 74  GLN AAA CB  1 ? 
ATOM   587  C  CG  . GLN A 1 74  ? -20.219 18.530  9.390   1.000 35.397 ? 74  GLN AAA CG  1 ? 
ATOM   588  C  CD  . GLN A 1 74  ? -21.504 18.660  8.608   1.000 39.329 ? 74  GLN AAA CD  1 ? 
ATOM   589  O  OE1 . GLN A 1 74  ? -21.652 18.111  7.507   1.000 34.558 ? 74  GLN AAA OE1 1 ? 
ATOM   590  N  NE2 . GLN A 1 74  ? -22.467 19.344  9.213   1.000 37.343 ? 74  GLN AAA NE2 1 ? 
ATOM   591  N  N   . ASP A 1 75  ? -20.387 16.274  13.263  1.000 32.799 ? 75  ASP AAA N   1 ? 
ATOM   592  C  CA  . ASP A 1 75  ? -20.964 15.223  14.154  1.000 34.328 ? 75  ASP AAA CA  1 ? 
ATOM   593  C  C   . ASP A 1 75  ? -22.066 14.491  13.384  1.000 35.582 ? 75  ASP AAA C   1 ? 
ATOM   594  O  O   . ASP A 1 75  ? -23.194 15.000  13.346  1.000 45.012 ? 75  ASP AAA O   1 ? 
ATOM   595  C  CB  . ASP A 1 75  ? -21.588 15.774  15.447  1.000 35.060 ? 75  ASP AAA CB  1 ? 
ATOM   596  C  CG  . ASP A 1 75  ? -20.611 16.169  16.543  1.000 34.207 ? 75  ASP AAA CG  1 ? 
ATOM   597  O  OD1 . ASP A 1 75  ? -19.404 16.074  16.317  1.000 33.728 ? 75  ASP AAA OD1 1 ? 
ATOM   598  O  OD2 . ASP A 1 75  ? -21.082 16.587  17.621  1.000 34.500 ? 75  ASP AAA OD2 1 ? 
ATOM   599  N  N   . LYS A 1 76  ? -21.736 13.351  12.785  1.000 32.629 ? 76  LYS AAA N   1 ? 
ATOM   600  C  CA  . LYS A 1 76  ? -22.634 12.565  11.893  1.000 30.518 ? 76  LYS AAA CA  1 ? 
ATOM   601  C  C   . LYS A 1 76  ? -22.777 11.142  12.427  1.000 27.947 ? 76  LYS AAA C   1 ? 
ATOM   602  O  O   . LYS A 1 76  ? -23.862 10.546  12.298  1.000 36.060 ? 76  LYS AAA O   1 ? 
ATOM   603  C  CB  . LYS A 1 76  ? -22.019 12.485  10.493  1.000 32.233 ? 76  LYS AAA CB  1 ? 
ATOM   604  C  CG  . LYS A 1 76  ? -22.283 13.694  9.604   1.000 35.527 ? 76  LYS AAA CG  1 ? 
ATOM   605  C  CD  . LYS A 1 76  ? -21.592 13.582  8.253   1.000 38.990 ? 76  LYS AAA CD  1 ? 
ATOM   606  C  CE  . LYS A 1 76  ? -22.191 14.500  7.206   1.000 39.935 ? 76  LYS AAA CE  1 ? 
ATOM   607  N  NZ  . LYS A 1 76  ? -22.283 13.830  5.887   1.000 40.797 ? 76  LYS AAA NZ  1 ? 
ATOM   608  N  N   . ALA A 1 77  ? -21.650 10.577  12.828  1.000 19.966 ? 77  ALA AAA N   1 ? 
ATOM   609  C  CA  . ALA A 1 77  ? -21.520 9.217   13.372  1.000 17.489 ? 77  ALA AAA CA  1 ? 
ATOM   610  C  C   . ALA A 1 77  ? -20.711 9.342   14.658  1.000 15.896 ? 77  ALA AAA C   1 ? 
ATOM   611  O  O   . ALA A 1 77  ? -19.551 9.619   14.573  1.000 17.622 ? 77  ALA AAA O   1 ? 
ATOM   612  C  CB  . ALA A 1 77  ? -20.822 8.350   12.381  1.000 18.663 ? 77  ALA AAA CB  1 ? 
ATOM   613  N  N   . VAL A 1 78  ? -21.337 9.174   15.803  1.000 14.766 ? 78  VAL AAA N   1 ? 
ATOM   614  C  CA  . VAL A 1 78  ? -20.673 9.535   17.070  1.000 14.613 ? 78  VAL AAA CA  1 ? 
ATOM   615  C  C   . VAL A 1 78  ? -20.877 8.408   18.075  1.000 13.872 ? 78  VAL AAA C   1 ? 
ATOM   616  O  O   . VAL A 1 78  ? -21.883 7.732   18.053  1.000 15.950 ? 78  VAL AAA O   1 ? 
ATOM   617  C  CB  . VAL A 1 78  ? -21.189 10.875  17.611  1.000 17.376 ? 78  VAL AAA CB  1 ? 
ATOM   618  C  CG1 . VAL A 1 78  ? -20.745 12.059  16.758  1.000 16.040 ? 78  VAL AAA CG1 1 ? 
ATOM   619  C  CG2 . VAL A 1 78  ? -22.694 10.843  17.736  1.000 16.841 ? 78  VAL AAA CG2 1 ? 
ATOM   620  N  N   . LEU A 1 79  ? -19.927 8.317   18.986  1.000 12.747 ? 79  LEU AAA N   1 ? 
ATOM   621  C  CA  . LEU A 1 79  ? -19.994 7.459   20.172  1.000 13.174 ? 79  LEU AAA CA  1 ? 
ATOM   622  C  C   . LEU A 1 79  ? -20.010 8.364   21.401  1.000 12.889 ? 79  LEU AAA C   1 ? 
ATOM   623  O  O   . LEU A 1 79  ? -19.225 9.328   21.480  1.000 12.553 ? 79  LEU AAA O   1 ? 
ATOM   624  C  CB  . LEU A 1 79  ? -18.803 6.504   20.104  1.000 13.045 ? 79  LEU AAA CB  1 ? 
ATOM   625  C  CG  . LEU A 1 79  ? -18.726 5.446   21.182  1.000 13.197 ? 79  LEU AAA CG  1 ? 
ATOM   626  C  CD1 . LEU A 1 79  ? -19.758 4.335   20.976  1.000 13.003 ? 79  LEU AAA CD1 1 ? 
ATOM   627  C  CD2 . LEU A 1 79  ? -17.326 4.859   21.164  1.000 12.552 ? 79  LEU AAA CD2 1 ? 
ATOM   628  N  N   . LYS A 1 80  ? -20.921 8.071   22.303  1.000 15.040 ? 80  LYS AAA N   1 ? 
ATOM   629  C  CA  . LYS A 1 80  ? -21.108 8.819   23.558  1.000 16.000 ? 80  LYS AAA CA  1 ? 
ATOM   630  C  C   . LYS A 1 80  ? -21.488 7.846   24.669  1.000 14.665 ? 80  LYS AAA C   1 ? 
ATOM   631  O  O   . LYS A 1 80  ? -21.764 6.703   24.372  1.000 15.430 ? 80  LYS AAA O   1 ? 
ATOM   632  C  CB  . LYS A 1 80  ? -22.226 9.840   23.360  1.000 19.266 ? 80  LYS AAA CB  1 ? 
ATOM   633  C  CG  . LYS A 1 80  ? -21.864 11.037  22.491  1.000 24.806 ? 80  LYS AAA CG  1 ? 
ATOM   634  C  CD  . LYS A 1 80  ? -23.046 11.829  21.974  1.000 29.433 ? 80  LYS AAA CD  1 ? 
ATOM   635  C  CE  . LYS A 1 80  ? -24.202 11.830  22.943  1.000 32.781 ? 80  LYS AAA CE  1 ? 
ATOM   636  N  NZ  . LYS A 1 80  ? -23.832 12.520  24.202  1.000 35.444 ? 80  LYS AAA NZ  1 ? 
ATOM   637  N  N   . GLY A 1 81  ? -21.539 8.332   25.904  1.000 15.978 ? 81  GLY AAA N   1 ? 
ATOM   638  C  CA  . GLY A 1 81  ? -22.002 7.544   27.060  1.000 15.418 ? 81  GLY AAA CA  1 ? 
ATOM   639  C  C   . GLY A 1 81  ? -20.992 6.497   27.461  1.000 17.185 ? 81  GLY AAA C   1 ? 
ATOM   640  O  O   . GLY A 1 81  ? -19.799 6.647   27.145  1.000 13.819 ? 81  GLY AAA O   1 ? 
ATOM   641  N  N   . GLY A 1 82  ? -21.454 5.432   28.109  1.000 19.387 ? 82  GLY AAA N   1 ? 
ATOM   642  C  CA  . GLY A 1 82  ? -20.581 4.469   28.791  1.000 18.275 ? 82  GLY AAA CA  1 ? 
ATOM   643  C  C   . GLY A 1 82  ? -19.557 5.188   29.659  1.000 17.909 ? 82  GLY AAA C   1 ? 
ATOM   644  O  O   . GLY A 1 82  ? -19.932 5.961   30.535  1.000 18.721 ? 82  GLY AAA O   1 ? 
ATOM   645  N  N   . PRO A 1 83  ? -18.242 4.921   29.468  1.000 15.659 ? 83  PRO AAA N   1 ? 
ATOM   646  C  CA  . PRO A 1 83  ? -17.184 5.514   30.273  1.000 15.835 ? 83  PRO AAA CA  1 ? 
ATOM   647  C  C   . PRO A 1 83  ? -16.811 6.931   29.819  1.000 15.088 ? 83  PRO AAA C   1 ? 
ATOM   648  O  O   . PRO A 1 83  ? -16.039 7.593   30.525  1.000 19.472 ? 83  PRO AAA O   1 ? 
ATOM   649  C  CB  . PRO A 1 83  ? -15.991 4.570   30.039  1.000 14.775 ? 83  PRO AAA CB  1 ? 
ATOM   650  C  CG  . PRO A 1 83  ? -16.219 4.035   28.611  1.000 14.202 ? 83  PRO AAA CG  1 ? 
ATOM   651  C  CD  . PRO A 1 83  ? -17.722 3.982   28.453  1.000 14.394 ? 83  PRO AAA CD  1 ? 
ATOM   652  N  N   . LEU A 1 84  ? -17.396 7.405   28.713  1.000 14.034 ? 84  LEU AAA N   1 ? 
ATOM   653  C  CA  . LEU A 1 84  ? -16.917 8.600   27.969  1.000 14.207 ? 84  LEU AAA CA  1 ? 
ATOM   654  C  C   . LEU A 1 84  ? -17.563 9.875   28.508  1.000 17.790 ? 84  LEU AAA C   1 ? 
ATOM   655  O  O   . LEU A 1 84  ? -18.780 9.887   28.764  1.000 19.286 ? 84  LEU AAA O   1 ? 
ATOM   656  C  CB  . LEU A 1 84  ? -17.263 8.439   26.488  1.000 12.680 ? 84  LEU AAA CB  1 ? 
ATOM   657  C  CG  . LEU A 1 84  ? -16.646 7.202   25.794  1.000 11.659 ? 84  LEU AAA CG  1 ? 
ATOM   658  C  CD1 . LEU A 1 84  ? -17.139 7.058   24.358  1.000 12.994 ? 84  LEU AAA CD1 1 ? 
ATOM   659  C  CD2 . LEU A 1 84  ? -15.123 7.279   25.861  1.000 12.506 ? 84  LEU AAA CD2 1 ? 
ATOM   660  N  N   . ASP A 1 85  ? -16.787 10.941  28.563  1.000 20.801 ? 85  ASP AAA N   1 ? 
ATOM   661  C  CA  A ASP A 1 85  ? -17.333 12.312  28.684  1.000 23.258 ? 85  ASP AAA CA  1 ? 
ATOM   662  C  C   . ASP A 1 85  ? -17.339 12.941  27.293  1.000 23.396 ? 85  ASP AAA C   1 ? 
ATOM   663  O  O   . ASP A 1 85  ? -16.278 12.956  26.661  1.000 26.577 ? 85  ASP AAA O   1 ? 
ATOM   664  C  CB  A ASP A 1 85  ? -16.501 13.173  29.625  1.000 29.866 ? 85  ASP AAA CB  1 ? 
ATOM   665  C  CG  A ASP A 1 85  ? -16.385 12.598  31.016  1.000 33.461 ? 85  ASP AAA CG  1 ? 
ATOM   666  O  OD1 A ASP A 1 85  ? -17.420 12.105  31.554  1.000 37.637 ? 85  ASP AAA OD1 1 ? 
ATOM   667  O  OD2 A ASP A 1 85  ? -15.261 12.660  31.557  1.000 45.435 ? 85  ASP AAA OD2 1 ? 
ATOM   668  N  N   . GLY A 1 86  ? -18.462 13.520  26.898  1.000 22.456 ? 86  GLY AAA N   1 ? 
ATOM   669  C  CA  . GLY A 1 86  ? -18.584 14.285  25.659  1.000 21.370 ? 86  GLY AAA CA  1 ? 
ATOM   670  C  C   . GLY A 1 86  ? -18.699 13.350  24.477  1.000 19.008 ? 86  GLY AAA C   1 ? 
ATOM   671  O  O   . GLY A 1 86  ? -19.141 12.178  24.663  1.000 19.491 ? 86  GLY AAA O   1 ? 
ATOM   672  N  N   . THR A 1 87  ? -18.336 13.864  23.304  1.000 18.589 ? 87  THR AAA N   1 ? 
ATOM   673  C  CA  . THR A 1 87  ? -18.734 13.322  22.001  1.000 17.035 ? 87  THR AAA CA  1 ? 
ATOM   674  C  C   . THR A 1 87  ? -17.480 12.880  21.257  1.000 14.351 ? 87  THR AAA C   1 ? 
ATOM   675  O  O   . THR A 1 87  ? -16.497 13.635  21.171  1.000 14.717 ? 87  THR AAA O   1 ? 
ATOM   676  C  CB  . THR A 1 87  ? -19.455 14.396  21.176  1.000 19.629 ? 87  THR AAA CB  1 ? 
ATOM   677  O  OG1 . THR A 1 87  ? -20.584 14.843  21.935  1.000 24.843 ? 87  THR AAA OG1 1 ? 
ATOM   678  C  CG2 . THR A 1 87  ? -19.885 13.877  19.826  1.000 20.522 ? 87  THR AAA CG2 1 ? 
ATOM   679  N  N   . TYR A 1 88  ? -17.504 11.653  20.756  1.000 12.604 ? 88  TYR AAA N   1 ? 
ATOM   680  C  CA  . TYR A 1 88  ? -16.388 11.101  19.955  1.000 12.632 ? 88  TYR AAA CA  1 ? 
ATOM   681  C  C   . TYR A 1 88  ? -16.868 10.785  18.538  1.000 12.960 ? 88  TYR AAA C   1 ? 
ATOM   682  O  O   . TYR A 1 88  ? -17.847 9.987   18.331  1.000 15.184 ? 88  TYR AAA O   1 ? 
ATOM   683  C  CB  . TYR A 1 88  ? -15.859 9.853   20.628  1.000 12.052 ? 88  TYR AAA CB  1 ? 
ATOM   684  C  CG  . TYR A 1 88  ? -15.089 10.096  21.896  1.000 10.282 ? 88  TYR AAA CG  1 ? 
ATOM   685  C  CD1 . TYR A 1 88  ? -15.705 10.557  23.055  1.000 12.026 ? 88  TYR AAA CD1 1 ? 
ATOM   686  C  CD2 . TYR A 1 88  ? -13.717 9.858   21.959  1.000 10.896 ? 88  TYR AAA CD2 1 ? 
ATOM   687  C  CE1 . TYR A 1 88  ? -14.993 10.733  24.232  1.000 11.517 ? 88  TYR AAA CE1 1 ? 
ATOM   688  C  CE2 . TYR A 1 88  ? -12.991 10.056  23.129  1.000 11.312 ? 88  TYR AAA CE2 1 ? 
ATOM   689  C  CZ  . TYR A 1 88  ? -13.633 10.478  24.282  1.000 11.871 ? 88  TYR AAA CZ  1 ? 
ATOM   690  O  OH  . TYR A 1 88  ? -12.934 10.629  25.458  1.000 11.909 ? 88  TYR AAA OH  1 ? 
ATOM   691  N  N   . ARG A 1 89  ? -16.193 11.337  17.557  1.000 11.960 ? 89  ARG AAA N   1 ? 
ATOM   692  C  CA  . ARG A 1 89  ? -16.596 11.256  16.127  1.000 13.714 ? 89  ARG AAA CA  1 ? 
ATOM   693  C  C   . ARG A 1 89  ? -15.943 10.033  15.496  1.000 12.291 ? 89  ARG AAA C   1 ? 
ATOM   694  O  O   . ARG A 1 89  ? -14.696 9.904   15.595  1.000 10.002 ? 89  ARG AAA O   1 ? 
ATOM   695  C  CB  . ARG A 1 89  ? -16.120 12.531  15.448  1.000 16.450 ? 89  ARG AAA CB  1 ? 
ATOM   696  C  CG  . ARG A 1 89  ? -17.032 13.033  14.354  1.000 21.423 ? 89  ARG AAA CG  1 ? 
ATOM   697  C  CD  . ARG A 1 89  ? -16.574 14.423  13.916  1.000 20.812 ? 89  ARG AAA CD  1 ? 
ATOM   698  N  NE  . ARG A 1 89  ? -17.238 15.461  14.671  1.000 22.301 ? 89  ARG AAA NE  1 ? 
ATOM   699  C  CZ  . ARG A 1 89  ? -16.994 16.754  14.517  1.000 23.528 ? 89  ARG AAA CZ  1 ? 
ATOM   700  N  NH1 . ARG A 1 89  ? -16.083 17.155  13.649  1.000 24.076 ? 89  ARG AAA NH1 1 ? 
ATOM   701  N  NH2 . ARG A 1 89  ? -17.629 17.640  15.261  1.000 26.331 ? 89  ARG AAA NH2 1 ? 
ATOM   702  N  N   . LEU A 1 90  ? -16.715 9.221   14.783  1.000 10.787 ? 90  LEU AAA N   1 ? 
ATOM   703  C  CA  . LEU A 1 90  ? -16.125 8.091   14.020  1.000 10.921 ? 90  LEU AAA CA  1 ? 
ATOM   704  C  C   . LEU A 1 90  ? -15.260 8.639   12.885  1.000 10.242 ? 90  LEU AAA C   1 ? 
ATOM   705  O  O   . LEU A 1 90  ? -15.771 9.431   12.051  1.000 12.803 ? 90  LEU AAA O   1 ? 
ATOM   706  C  CB  . LEU A 1 90  ? -17.230 7.186   13.484  1.000 10.753 ? 90  LEU AAA CB  1 ? 
ATOM   707  C  CG  . LEU A 1 90  ? -16.817 6.042   12.574  1.000 10.557 ? 90  LEU AAA CG  1 ? 
ATOM   708  C  CD1 . LEU A 1 90  ? -16.001 4.980   13.292  1.000 10.684 ? 90  LEU AAA CD1 1 ? 
ATOM   709  C  CD2 . LEU A 1 90  ? -18.057 5.401   11.967  1.000 11.138 ? 90  LEU AAA CD2 1 ? 
ATOM   710  N  N   . ILE A 1 91  ? -14.021 8.160   12.749  1.000 9.674  ? 91  ILE AAA N   1 ? 
ATOM   711  C  CA  . ILE A 1 91  ? -13.120 8.575   11.631  1.000 10.507 ? 91  ILE AAA CA  1 ? 
ATOM   712  C  C   . ILE A 1 91  ? -12.817 7.369   10.738  1.000 9.827  ? 91  ILE AAA C   1 ? 
ATOM   713  O  O   . ILE A 1 91  ? -12.752 7.536   9.526   1.000 10.900 ? 91  ILE AAA O   1 ? 
ATOM   714  C  CB  . ILE A 1 91  ? -11.830 9.234   12.137  1.000 11.392 ? 91  ILE AAA CB  1 ? 
ATOM   715  C  CG1 . ILE A 1 91  ? -10.922 9.603   10.955  1.000 12.494 ? 91  ILE AAA CG1 1 ? 
ATOM   716  C  CG2 . ILE A 1 91  ? -11.095 8.349   13.134  1.000 11.906 ? 91  ILE AAA CG2 1 ? 
ATOM   717  C  CD1 . ILE A 1 91  ? -9.646  10.390  11.310  1.000 14.767 ? 91  ILE AAA CD1 1 ? 
ATOM   718  N  N   . GLN A 1 92  ? -12.722 6.157   11.282  1.000 9.498  ? 92  GLN AAA N   1 ? 
ATOM   719  C  CA  . GLN A 1 92  ? -12.401 4.979   10.428  1.000 9.074  ? 92  GLN AAA CA  1 ? 
ATOM   720  C  C   . GLN A 1 92  ? -12.662 3.713   11.208  1.000 8.308  ? 92  GLN AAA C   1 ? 
ATOM   721  O  O   . GLN A 1 92  ? -12.723 3.763   12.435  1.000 8.443  ? 92  GLN AAA O   1 ? 
ATOM   722  C  CB  . GLN A 1 92  ? -10.965 4.971   9.904   1.000 10.176 ? 92  GLN AAA CB  1 ? 
ATOM   723  C  CG  . GLN A 1 92  ? -9.927  5.079   11.014  1.000 9.911  ? 92  GLN AAA CG  1 ? 
ATOM   724  C  CD  . GLN A 1 92  ? -9.186  3.821   11.356  1.000 10.268 ? 92  GLN AAA CD  1 ? 
ATOM   725  O  OE1 . GLN A 1 92  ? -9.683  2.686   11.230  1.000 10.225 ? 92  GLN AAA OE1 1 ? 
ATOM   726  N  NE2 . GLN A 1 92  ? -7.969  4.062   11.824  1.000 12.598 ? 92  GLN AAA NE2 1 ? 
ATOM   727  N  N   . PHE A 1 93  ? -12.825 2.644   10.484  1.000 7.959  ? 93  PHE AAA N   1 ? 
ATOM   728  C  CA  . PHE A 1 93  ? -12.737 1.300   11.088  1.000 7.998  ? 93  PHE AAA CA  1 ? 
ATOM   729  C  C   . PHE A 1 93  ? -11.790 0.449   10.280  1.000 8.581  ? 93  PHE AAA C   1 ? 
ATOM   730  O  O   . PHE A 1 93  ? -11.521 0.642   9.098   1.000 8.246  ? 93  PHE AAA O   1 ? 
ATOM   731  C  CB  . PHE A 1 93  ? -14.085 0.619   11.293  1.000 7.606  ? 93  PHE AAA CB  1 ? 
ATOM   732  C  CG  . PHE A 1 93  ? -14.829 0.138   10.084  1.000 8.168  ? 93  PHE AAA CG  1 ? 
ATOM   733  C  CD1 . PHE A 1 93  ? -14.434 -0.990  9.407   1.000 8.502  ? 93  PHE AAA CD1 1 ? 
ATOM   734  C  CD2 . PHE A 1 93  ? -15.984 0.797   9.665   1.000 8.677  ? 93  PHE AAA CD2 1 ? 
ATOM   735  C  CE1 . PHE A 1 93  ? -15.152 -1.454  8.317   1.000 8.693  ? 93  PHE AAA CE1 1 ? 
ATOM   736  C  CE2 . PHE A 1 93  ? -16.692 0.330   8.575   1.000 8.730  ? 93  PHE AAA CE2 1 ? 
ATOM   737  C  CZ  . PHE A 1 93  ? -16.279 -0.776  7.886   1.000 9.109  ? 93  PHE AAA CZ  1 ? 
ATOM   738  N  N   . HIS A 1 94  ? -11.281 -0.549  10.993  1.000 8.254  ? 94  HIS AAA N   1 ? 
ATOM   739  C  CA  . HIS A 1 94  ? -10.349 -1.553  10.442  1.000 7.227  ? 94  HIS AAA CA  1 ? 
ATOM   740  C  C   . HIS A 1 94  ? -10.414 -2.816  11.268  1.000 7.848  ? 94  HIS AAA C   1 ? 
ATOM   741  O  O   . HIS A 1 94  ? -11.031 -2.847  12.300  1.000 7.590  ? 94  HIS AAA O   1 ? 
ATOM   742  C  CB  . HIS A 1 94  ? -8.911  -1.040  10.371  1.000 7.397  ? 94  HIS AAA CB  1 ? 
ATOM   743  C  CG  . HIS A 1 94  ? -8.388  -0.754  11.743  1.000 6.831  ? 94  HIS AAA CG  1 ? 
ATOM   744  N  ND1 . HIS A 1 94  ? -8.524  0.469   12.346  1.000 6.582  ? 94  HIS AAA ND1 1 ? 
ATOM   745  C  CD2 . HIS A 1 94  ? -7.763  -1.555  12.629  1.000 7.342  ? 94  HIS AAA CD2 1 ? 
ATOM   746  C  CE1 . HIS A 1 94  ? -8.054  0.396   13.574  1.000 6.691  ? 94  HIS AAA CE1 1 ? 
ATOM   747  N  NE2 . HIS A 1 94  ? -7.549  -0.831  13.758  1.000 6.905  ? 94  HIS AAA NE2 1 ? 
ATOM   748  N  N   . PHE A 1 95  ? -9.758  -3.838  10.785  1.000 7.159  ? 95  PHE AAA N   1 ? 
ATOM   749  C  CA  . PHE A 1 95  ? -9.716  -5.168  11.437  1.000 7.195  ? 95  PHE AAA CA  1 ? 
ATOM   750  C  C   . PHE A 1 95  ? -8.266  -5.581  11.665  1.000 7.226  ? 95  PHE AAA C   1 ? 
ATOM   751  O  O   . PHE A 1 95  ? -7.362  -5.080  10.975  1.000 7.091  ? 95  PHE AAA O   1 ? 
ATOM   752  C  CB  . PHE A 1 95  ? -10.401 -6.243  10.588  1.000 7.129  ? 95  PHE AAA CB  1 ? 
ATOM   753  C  CG  . PHE A 1 95  ? -11.859 -5.995  10.234  1.000 7.555  ? 95  PHE AAA CG  1 ? 
ATOM   754  C  CD1 . PHE A 1 95  ? -12.193 -5.146  9.189   1.000 8.119  ? 95  PHE AAA CD1 1 ? 
ATOM   755  C  CD2 . PHE A 1 95  ? -12.879 -6.635  10.929  1.000 7.814  ? 95  PHE AAA CD2 1 ? 
ATOM   756  C  CE1 . PHE A 1 95  ? -13.530 -4.929  8.885   1.000 8.078  ? 95  PHE AAA CE1 1 ? 
ATOM   757  C  CE2 . PHE A 1 95  ? -14.207 -6.442  10.604  1.000 8.887  ? 95  PHE AAA CE2 1 ? 
ATOM   758  C  CZ  . PHE A 1 95  ? -14.530 -5.577  9.584   1.000 8.762  ? 95  PHE AAA CZ  1 ? 
ATOM   759  N  N   . HIS A 1 96  ? -8.096  -6.517  12.593  1.000 7.859  ? 96  HIS AAA N   1 ? 
ATOM   760  C  CA  . HIS A 1 96  ? -6.899  -7.365  12.781  1.000 7.190  ? 96  HIS AAA CA  1 ? 
ATOM   761  C  C   . HIS A 1 96  ? -7.328  -8.809  12.643  1.000 7.304  ? 96  HIS AAA C   1 ? 
ATOM   762  O  O   . HIS A 1 96  ? -8.424  -9.168  13.086  1.000 7.557  ? 96  HIS AAA O   1 ? 
ATOM   763  C  CB  . HIS A 1 96  ? -6.204  -7.116  14.088  1.000 7.975  ? 96  HIS AAA CB  1 ? 
ATOM   764  C  CG  . HIS A 1 96  ? -5.971  -5.664  14.365  1.000 8.051  ? 96  HIS AAA CG  1 ? 
ATOM   765  N  ND1 . HIS A 1 96  ? -4.713  -5.106  14.107  1.000 7.377  ? 96  HIS AAA ND1 1 ? 
ATOM   766  C  CD2 . HIS A 1 96  ? -6.759  -4.654  14.797  1.000 7.590  ? 96  HIS AAA CD2 1 ? 
ATOM   767  C  CE1 . HIS A 1 96  ? -4.767  -3.827  14.472  1.000 7.156  ? 96  HIS AAA CE1 1 ? 
ATOM   768  N  NE2 . HIS A 1 96  ? -6.010  -3.504  14.816  1.000 7.745  ? 96  HIS AAA NE2 1 ? 
ATOM   769  N  N   . TRP A 1 97  ? -6.531  -9.631  11.986  1.000 7.112  ? 97  TRP AAA N   1 ? 
ATOM   770  C  CA  . TRP A 1 97  ? -6.944  -11.032 11.758  1.000 7.655  ? 97  TRP AAA CA  1 ? 
ATOM   771  C  C   . TRP A 1 97  ? -5.715  -11.944 11.646  1.000 7.581  ? 97  TRP AAA C   1 ? 
ATOM   772  O  O   . TRP A 1 97  ? -4.584  -11.481 11.516  1.000 9.942  ? 97  TRP AAA O   1 ? 
ATOM   773  C  CB  . TRP A 1 97  ? -7.859  -11.171 10.544  1.000 7.267  ? 97  TRP AAA CB  1 ? 
ATOM   774  C  CG  . TRP A 1 97  ? -7.220  -10.748 9.258   1.000 7.615  ? 97  TRP AAA CG  1 ? 
ATOM   775  C  CD1 . TRP A 1 97  ? -6.538  -11.567 8.386   1.000 8.114  ? 97  TRP AAA CD1 1 ? 
ATOM   776  C  CD2 . TRP A 1 97  ? -7.186  -9.434  8.655   1.000 7.815  ? 97  TRP AAA CD2 1 ? 
ATOM   777  N  NE1 . TRP A 1 97  ? -6.073  -10.843 7.317   1.000 8.476  ? 97  TRP AAA NE1 1 ? 
ATOM   778  C  CE2 . TRP A 1 97  ? -6.459  -9.538  7.459   1.000 7.959  ? 97  TRP AAA CE2 1 ? 
ATOM   779  C  CE3 . TRP A 1 97  ? -7.652  -8.166  9.050   1.000 7.745  ? 97  TRP AAA CE3 1 ? 
ATOM   780  C  CZ2 . TRP A 1 97  ? -6.228  -8.441  6.622   1.000 8.749  ? 97  TRP AAA CZ2 1 ? 
ATOM   781  C  CZ3 . TRP A 1 97  ? -7.478  -7.089  8.207   1.000 7.964  ? 97  TRP AAA CZ3 1 ? 
ATOM   782  C  CH2 . TRP A 1 97  ? -6.729  -7.217  7.035   1.000 8.330  ? 97  TRP AAA CH2 1 ? 
ATOM   783  N  N   . GLY A 1 98  ? -5.998  -13.227 11.686  1.000 9.196  ? 98  GLY AAA N   1 ? 
ATOM   784  C  CA  . GLY A 1 98  ? -5.003  -14.302 11.767  1.000 8.822  ? 98  GLY AAA CA  1 ? 
ATOM   785  C  C   . GLY A 1 98  ? -4.843  -15.040 10.451  1.000 10.363 ? 98  GLY AAA C   1 ? 
ATOM   786  O  O   . GLY A 1 98  ? -5.600  -14.769 9.501   1.000 9.905  ? 98  GLY AAA O   1 ? 
ATOM   787  N  N   . SER A 1 99  ? -3.818  -15.876 10.404  1.000 11.252 ? 99  SER AAA N   1 ? 
ATOM   788  C  CA  . SER A 1 99  ? -3.598  -16.836 9.297   1.000 12.075 ? 99  SER AAA CA  1 ? 
ATOM   789  C  C   . SER A 1 99  ? -4.568  -18.026 9.397   1.000 13.389 ? 99  SER AAA C   1 ? 
ATOM   790  O  O   . SER A 1 99  ? -4.792  -18.687 8.370   1.000 14.065 ? 99  SER AAA O   1 ? 
ATOM   791  C  CB  . SER A 1 99  ? -2.176  -17.278 9.270   1.000 13.212 ? 99  SER AAA CB  1 ? 
ATOM   792  O  OG  . SER A 1 99  ? -1.736  -17.571 10.566  1.000 13.581 ? 99  SER AAA OG  1 ? 
ATOM   793  N  N   . LEU A 1 100 ? -5.086  -18.322 10.585  1.000 13.459 ? 100 LEU AAA N   1 ? 
ATOM   794  C  CA  . LEU A 1 100 ? -6.047  -19.423 10.845  1.000 14.826 ? 100 LEU AAA CA  1 ? 
ATOM   795  C  C   . LEU A 1 100 ? -7.086  -18.950 11.863  1.000 14.979 ? 100 LEU AAA C   1 ? 
ATOM   796  O  O   . LEU A 1 100 ? -6.832  -17.965 12.570  1.000 14.506 ? 100 LEU AAA O   1 ? 
ATOM   797  C  CB  . LEU A 1 100 ? -5.239  -20.637 11.325  1.000 15.633 ? 100 LEU AAA CB  1 ? 
ATOM   798  C  CG  . LEU A 1 100 ? -4.498  -21.394 10.220  1.000 18.214 ? 100 LEU AAA CG  1 ? 
ATOM   799  C  CD1 . LEU A 1 100 ? -3.810  -22.627 10.794  1.000 19.941 ? 100 LEU AAA CD1 1 ? 
ATOM   800  C  CD2 . LEU A 1 100 ? -5.440  -21.779 9.092   1.000 19.271 ? 100 LEU AAA CD2 1 ? 
ATOM   801  N  N   . ASP A 1 101 ? -8.191  -19.661 12.020  1.000 13.368 ? 101 ASP AAA N   1 ? 
ATOM   802  C  CA  . ASP A 1 101 ? -9.321  -19.162 12.835  1.000 14.622 ? 101 ASP AAA CA  1 ? 
ATOM   803  C  C   . ASP A 1 101 ? -8.942  -19.093 14.321  1.000 13.654 ? 101 ASP AAA C   1 ? 
ATOM   804  O  O   . ASP A 1 101 ? -9.629  -18.362 15.023  1.000 14.374 ? 101 ASP AAA O   1 ? 
ATOM   805  C  CB  . ASP A 1 101 ? -10.595 -19.978 12.635  1.000 15.090 ? 101 ASP AAA CB  1 ? 
ATOM   806  C  CG  . ASP A 1 101 ? -11.113 -20.043 11.202  1.000 18.653 ? 101 ASP AAA CG  1 ? 
ATOM   807  O  OD1 . ASP A 1 101 ? -10.654 -19.250 10.312  1.000 17.287 ? 101 ASP AAA OD1 1 ? 
ATOM   808  O  OD2 . ASP A 1 101 ? -11.999 -20.917 10.950  1.000 25.528 ? 101 ASP AAA OD2 1 ? 
ATOM   809  N  N   . GLY A 1 102 ? -7.904  -19.813 14.776  1.000 13.747 ? 102 GLY AAA N   1 ? 
ATOM   810  C  CA  . GLY A 1 102 ? -7.546  -19.899 16.199  1.000 12.901 ? 102 GLY AAA CA  1 ? 
ATOM   811  C  C   . GLY A 1 102 ? -6.763  -18.685 16.672  1.000 11.840 ? 102 GLY AAA C   1 ? 
ATOM   812  O  O   . GLY A 1 102 ? -6.393  -18.661 17.847  1.000 11.336 ? 102 GLY AAA O   1 ? 
ATOM   813  N  N   . GLN A 1 103 ? -6.483  -17.707 15.807  1.000 10.642 ? 103 GLN AAA N   1 ? 
ATOM   814  C  CA  . GLN A 1 103 ? -5.762  -16.489 16.275  1.000 10.664 ? 103 GLN AAA CA  1 ? 
ATOM   815  C  C   . GLN A 1 103 ? -6.149  -15.312 15.373  1.000 10.253 ? 103 GLN AAA C   1 ? 
ATOM   816  O  O   . GLN A 1 103 ? -6.774  -15.556 14.309  1.000 10.750 ? 103 GLN AAA O   1 ? 
ATOM   817  C  CB  . GLN A 1 103 ? -4.250  -16.726 16.334  1.000 12.582 ? 103 GLN AAA CB  1 ? 
ATOM   818  C  CG  . GLN A 1 103 ? -3.657  -16.986 14.953  1.000 14.908 ? 103 GLN AAA CG  1 ? 
ATOM   819  C  CD  . GLN A 1 103 ? -2.185  -17.327 15.060  1.000 16.152 ? 103 GLN AAA CD  1 ? 
ATOM   820  O  OE1 . GLN A 1 103 ? -1.359  -16.899 14.244  1.000 17.223 ? 103 GLN AAA OE1 1 ? 
ATOM   821  N  NE2 . GLN A 1 103 ? -1.807  -17.948 16.163  1.000 18.764 ? 103 GLN AAA NE2 1 ? 
ATOM   822  N  N   . GLY A 1 104 ? -5.892  -14.082 15.840  1.000 8.162  ? 104 GLY AAA N   1 ? 
ATOM   823  C  CA  . GLY A 1 104 ? -6.214  -12.921 15.005  1.000 8.416  ? 104 GLY AAA CA  1 ? 
ATOM   824  C  C   . GLY A 1 104 ? -6.649  -11.721 15.825  1.000 8.674  ? 104 GLY AAA C   1 ? 
ATOM   825  O  O   . GLY A 1 104 ? -6.373  -10.574 15.435  1.000 9.193  ? 104 GLY AAA O   1 ? 
ATOM   826  N  N   . SER A 1 105 ? -7.339  -11.945 16.956  1.000 8.334  ? 105 SER AAA N   1 ? 
ATOM   827  C  CA  . SER A 1 105 ? -7.780  -10.832 17.813  1.000 9.233  ? 105 SER AAA CA  1 ? 
ATOM   828  C  C   . SER A 1 105 ? -6.574  -10.267 18.546  1.000 9.236  ? 105 SER AAA C   1 ? 
ATOM   829  O  O   . SER A 1 105 ? -5.572  -10.977 18.727  1.000 11.007 ? 105 SER AAA O   1 ? 
ATOM   830  C  CB  . SER A 1 105 ? -8.869  -11.203 18.700  1.000 8.472  ? 105 SER AAA CB  1 ? 
ATOM   831  O  OG  . SER A 1 105 ? -8.441  -12.140 19.675  1.000 9.221  ? 105 SER AAA OG  1 ? 
ATOM   832  N  N   . GLU A 1 106 ? -6.693  -9.018  18.942  1.000 8.403  ? 106 GLU AAA N   1 ? 
ATOM   833  C  CA  . GLU A 1 106 ? -5.683  -8.304  19.754  1.000 8.203  ? 106 GLU AAA CA  1 ? 
ATOM   834  C  C   . GLU A 1 106 ? -6.016  -8.457  21.246  1.000 7.812  ? 106 GLU AAA C   1 ? 
ATOM   835  O  O   . GLU A 1 106 ? -5.222  -9.027  21.974  1.000 8.165  ? 106 GLU AAA O   1 ? 
ATOM   836  C  CB  . GLU A 1 106 ? -5.655  -6.846  19.348  1.000 9.065  ? 106 GLU AAA CB  1 ? 
ATOM   837  C  CG  . GLU A 1 106 ? -5.145  -6.745  17.920  1.000 9.964  ? 106 GLU AAA CG  1 ? 
ATOM   838  C  CD  . GLU A 1 106 ? -4.431  -5.459  17.588  1.000 9.629  ? 106 GLU AAA CD  1 ? 
ATOM   839  O  OE1 . GLU A 1 106 ? -5.069  -4.401  17.808  1.000 10.757 ? 106 GLU AAA OE1 1 ? 
ATOM   840  O  OE2 . GLU A 1 106 ? -3.280  -5.505  17.106  1.000 9.396  ? 106 GLU AAA OE2 1 ? 
ATOM   841  N  N   . HIS A 1 107 ? -7.206  -8.078  21.649  1.000 8.982  ? 107 HIS AAA N   1 ? 
ATOM   842  C  CA  . HIS A 1 107 ? -7.699  -8.422  22.992  1.000 8.316  ? 107 HIS AAA CA  1 ? 
ATOM   843  C  C   . HIS A 1 107 ? -7.988  -9.914  23.033  1.000 8.853  ? 107 HIS AAA C   1 ? 
ATOM   844  O  O   . HIS A 1 107 ? -8.293  -10.512 21.997  1.000 8.666  ? 107 HIS AAA O   1 ? 
ATOM   845  C  CB  . HIS A 1 107 ? -8.912  -7.581  23.337  1.000 7.880  ? 107 HIS AAA CB  1 ? 
ATOM   846  C  CG  . HIS A 1 107 ? -8.543  -6.154  23.490  1.000 7.202  ? 107 HIS AAA CG  1 ? 
ATOM   847  N  ND1 . HIS A 1 107 ? -8.590  -5.288  22.427  1.000 6.971  ? 107 HIS AAA ND1 1 ? 
ATOM   848  C  CD2 . HIS A 1 107 ? -8.158  -5.423  24.568  1.000 7.053  ? 107 HIS AAA CD2 1 ? 
ATOM   849  C  CE1 . HIS A 1 107 ? -8.181  -4.080  22.841  1.000 7.079  ? 107 HIS AAA CE1 1 ? 
ATOM   850  N  NE2 . HIS A 1 107 ? -7.888  -4.154  24.163  1.000 7.245  ? 107 HIS AAA NE2 1 ? 
ATOM   851  N  N   . THR A 1 108 ? -7.880  -10.485 24.223  1.000 9.268  ? 108 THR AAA N   1 ? 
ATOM   852  C  CA  . THR A 1 108 ? -8.207  -11.896 24.519  1.000 9.496  ? 108 THR AAA CA  1 ? 
ATOM   853  C  C   . THR A 1 108 ? -9.171  -11.914 25.699  1.000 9.169  ? 108 THR AAA C   1 ? 
ATOM   854  O  O   . THR A 1 108 ? -9.162  -10.931 26.494  1.000 8.321  ? 108 THR AAA O   1 ? 
ATOM   855  C  CB  . THR A 1 108 ? -6.972  -12.783 24.750  1.000 10.372 ? 108 THR AAA CB  1 ? 
ATOM   856  O  OG1 . THR A 1 108 ? -6.160  -12.199 25.764  1.000 11.812 ? 108 THR AAA OG1 1 ? 
ATOM   857  C  CG2 . THR A 1 108 ? -6.132  -12.952 23.515  1.000 11.024 ? 108 THR AAA CG2 1 ? 
ATOM   858  N  N   . VAL A 1 109 ? -9.958  -12.983 25.804  1.000 10.185 ? 109 VAL AAA N   1 ? 
ATOM   859  C  CA  . VAL A 1 109 ? -10.907 -13.127 26.930  1.000 9.848  ? 109 VAL AAA CA  1 ? 
ATOM   860  C  C   . VAL A 1 109 ? -10.526 -14.423 27.644  1.000 10.670 ? 109 VAL AAA C   1 ? 
ATOM   861  O  O   . VAL A 1 109 ? -10.663 -15.500 27.053  1.000 11.057 ? 109 VAL AAA O   1 ? 
ATOM   862  C  CB  . VAL A 1 109 ? -12.364 -13.073 26.462  1.000 9.874  ? 109 VAL AAA CB  1 ? 
ATOM   863  C  CG1 . VAL A 1 109 ? -13.348 -13.158 27.622  1.000 10.414 ? 109 VAL AAA CG1 1 ? 
ATOM   864  C  CG2 . VAL A 1 109 ? -12.644 -11.811 25.663  1.000 10.038 ? 109 VAL AAA CG2 1 ? 
ATOM   865  N  N   . ASP A 1 110 ? -10.028 -14.320 28.874  1.000 11.159 ? 110 ASP AAA N   1 ? 
ATOM   866  C  CA  . ASP A 1 110 ? -9.499  -15.506 29.603  1.000 11.112 ? 110 ASP AAA CA  1 ? 
ATOM   867  C  C   . ASP A 1 110 ? -8.528  -16.254 28.683  1.000 12.822 ? 110 ASP AAA C   1 ? 
ATOM   868  O  O   . ASP A 1 110 ? -8.590  -17.474 28.660  1.000 14.221 ? 110 ASP AAA O   1 ? 
ATOM   869  C  CB  . ASP A 1 110 ? -10.682 -16.289 30.181  1.000 12.140 ? 110 ASP AAA CB  1 ? 
ATOM   870  C  CG  . ASP A 1 110 ? -11.550 -15.504 31.152  1.000 13.021 ? 110 ASP AAA CG  1 ? 
ATOM   871  O  OD1 . ASP A 1 110 ? -11.041 -14.680 31.897  1.000 15.729 ? 110 ASP AAA OD1 1 ? 
ATOM   872  O  OD2 . ASP A 1 110 ? -12.749 -15.835 31.231  1.000 16.862 ? 110 ASP AAA OD2 1 ? 
ATOM   873  N  N   . LYS A 1 111 ? -7.632  -15.496 28.060  1.000 11.892 ? 111 LYS AAA N   1 ? 
ATOM   874  C  CA  . LYS A 1 111 ? -6.558  -15.943 27.122  1.000 13.585 ? 111 LYS AAA CA  1 ? 
ATOM   875  C  C   . LYS A 1 111 ? -7.152  -16.523 25.838  1.000 11.816 ? 111 LYS AAA C   1 ? 
ATOM   876  O  O   . LYS A 1 111 ? -6.367  -16.876 25.006  1.000 14.463 ? 111 LYS AAA O   1 ? 
ATOM   877  C  CB  . LYS A 1 111 ? -5.649  -16.983 27.796  1.000 15.023 ? 111 LYS AAA CB  1 ? 
ATOM   878  C  CG  . LYS A 1 111 ? -4.996  -16.529 29.087  1.000 18.441 ? 111 LYS AAA CG  1 ? 
ATOM   879  C  CD  . LYS A 1 111 ? -4.009  -15.399 28.858  1.000 21.276 ? 111 LYS AAA CD  1 ? 
ATOM   880  C  CE  . LYS A 1 111 ? -3.411  -14.837 30.137  1.000 23.143 ? 111 LYS AAA CE  1 ? 
ATOM   881  N  NZ  . LYS A 1 111 ? -2.242  -15.611 30.605  1.000 26.665 ? 111 LYS AAA NZ  1 ? 
ATOM   882  N  N   . LYS A 1 112 ? -8.470  -16.546 25.628  1.000 11.896 ? 112 LYS AAA N   1 ? 
ATOM   883  C  CA  . LYS A 1 112 ? -9.078  -16.984 24.347  1.000 11.193 ? 112 LYS AAA CA  1 ? 
ATOM   884  C  C   . LYS A 1 112 ? -8.827  -15.929 23.257  1.000 12.655 ? 112 LYS AAA C   1 ? 
ATOM   885  O  O   . LYS A 1 112 ? -9.158  -14.730 23.448  1.000 10.862 ? 112 LYS AAA O   1 ? 
ATOM   886  C  CB  . LYS A 1 112 ? -10.582 -17.183 24.415  1.000 12.661 ? 112 LYS AAA CB  1 ? 
ATOM   887  C  CG  . LYS A 1 112 ? -11.215 -17.683 23.120  1.000 14.000 ? 112 LYS AAA CG  1 ? 
ATOM   888  C  CD  . LYS A 1 112 ? -12.752 -17.707 23.209  1.000 16.691 ? 112 LYS AAA CD  1 ? 
ATOM   889  C  CE  . LYS A 1 112 ? -13.479 -17.782 21.885  1.000 19.726 ? 112 LYS AAA CE  1 ? 
ATOM   890  N  NZ  . LYS A 1 112 ? -13.260 -19.056 21.160  1.000 23.892 ? 112 LYS AAA NZ  1 ? 
ATOM   891  N  N   . LYS A 1 113 ? -8.361  -16.411 22.125  1.000 11.935 ? 113 LYS AAA N   1 ? 
ATOM   892  C  CA  A LYS A 1 113 ? -8.085  -15.596 20.914  0.570 12.136 ? 113 LYS AAA CA  1 ? 
ATOM   893  C  CA  B LYS A 1 113 ? -8.081  -15.588 20.920  0.430 11.588 ? 113 LYS AAA CA  1 ? 
ATOM   894  C  C   . LYS A 1 113 ? -9.239  -15.808 19.934  1.000 11.582 ? 113 LYS AAA C   1 ? 
ATOM   895  O  O   . LYS A 1 113 ? -9.603  -16.962 19.663  1.000 13.433 ? 113 LYS AAA O   1 ? 
ATOM   896  C  CB  A LYS A 1 113 ? -6.805  -16.016 20.189  0.570 13.099 ? 113 LYS AAA CB  1 ? 
ATOM   897  C  CB  B LYS A 1 113 ? -6.715  -15.939 20.314  0.430 11.630 ? 113 LYS AAA CB  1 ? 
ATOM   898  C  CG  A LYS A 1 113 ? -5.525  -15.865 20.986  0.570 12.697 ? 113 LYS AAA CG  1 ? 
ATOM   899  C  CG  B LYS A 1 113 ? -5.512  -15.532 21.155  0.430 10.816 ? 113 LYS AAA CG  1 ? 
ATOM   900  C  CD  A LYS A 1 113 ? -4.329  -16.308 20.192  0.570 12.552 ? 113 LYS AAA CD  1 ? 
ATOM   901  C  CD  B LYS A 1 113 ? -4.183  -16.077 20.638  0.430 10.272 ? 113 LYS AAA CD  1 ? 
ATOM   902  C  CE  A LYS A 1 113 ? -3.025  -15.810 20.760  0.570 13.017 ? 113 LYS AAA CE  1 ? 
ATOM   903  C  CE  B LYS A 1 113 ? -2.992  -15.451 21.333  0.430 10.408 ? 113 LYS AAA CE  1 ? 
ATOM   904  N  NZ  A LYS A 1 113 ? -2.628  -16.637 21.924  0.570 14.888 ? 113 LYS AAA NZ  1 ? 
ATOM   905  N  NZ  B LYS A 1 113 ? -1.802  -16.342 21.343  0.430 10.404 ? 113 LYS AAA NZ  1 ? 
ATOM   906  N  N   . TYR A 1 114 ? -9.822  -14.735 19.425  1.000 10.792 ? 114 TYR AAA N   1 ? 
ATOM   907  C  CA  . TYR A 1 114 ? -10.862 -14.802 18.374  1.000 9.743  ? 114 TYR AAA CA  1 ? 
ATOM   908  C  C   . TYR A 1 114 ? -10.179 -14.728 17.005  1.000 9.063  ? 114 TYR AAA C   1 ? 
ATOM   909  O  O   . TYR A 1 114 ? -8.966  -14.461 16.945  1.000 8.460  ? 114 TYR AAA O   1 ? 
ATOM   910  C  CB  . TYR A 1 114 ? -11.910 -13.719 18.594  1.000 10.703 ? 114 TYR AAA CB  1 ? 
ATOM   911  C  CG  . TYR A 1 114 ? -12.841 -13.937 19.759  1.000 11.036 ? 114 TYR AAA CG  1 ? 
ATOM   912  C  CD1 . TYR A 1 114 ? -12.547 -13.498 21.035  1.000 13.684 ? 114 TYR AAA CD1 1 ? 
ATOM   913  C  CD2 . TYR A 1 114 ? -14.045 -14.598 19.574  1.000 13.054 ? 114 TYR AAA CD2 1 ? 
ATOM   914  C  CE1 . TYR A 1 114 ? -13.415 -13.718 22.104  1.000 14.447 ? 114 TYR AAA CE1 1 ? 
ATOM   915  C  CE2 . TYR A 1 114 ? -14.932 -14.793 20.620  1.000 15.303 ? 114 TYR AAA CE2 1 ? 
ATOM   916  C  CZ  . TYR A 1 114 ? -14.616 -14.368 21.894  1.000 15.595 ? 114 TYR AAA CZ  1 ? 
ATOM   917  O  OH  . TYR A 1 114 ? -15.521 -14.566 22.916  1.000 20.359 ? 114 TYR AAA OH  1 ? 
ATOM   918  N  N   . ALA A 1 115 ? -10.907 -15.060 15.938  1.000 9.678  ? 115 ALA AAA N   1 ? 
ATOM   919  C  CA  . ALA A 1 115 ? -10.375 -15.130 14.555  1.000 8.889  ? 115 ALA AAA CA  1 ? 
ATOM   920  C  C   . ALA A 1 115 ? -10.027 -13.735 14.031  1.000 8.545  ? 115 ALA AAA C   1 ? 
ATOM   921  O  O   . ALA A 1 115 ? -9.152  -13.590 13.195  1.000 9.821  ? 115 ALA AAA O   1 ? 
ATOM   922  C  CB  . ALA A 1 115 ? -11.394 -15.807 13.677  1.000 9.474  ? 115 ALA AAA CB  1 ? 
ATOM   923  N  N   . ALA A 1 116 ? -10.627 -12.716 14.587  1.000 8.916  ? 116 ALA AAA N   1 ? 
ATOM   924  C  CA  . ALA A 1 116 ? -10.386 -11.328 14.132  1.000 8.811  ? 116 ALA AAA CA  1 ? 
ATOM   925  C  C   . ALA A 1 116 ? -10.993 -10.365 15.157  1.000 7.809  ? 116 ALA AAA C   1 ? 
ATOM   926  O  O   . ALA A 1 116 ? -11.689 -10.787 16.097  1.000 8.593  ? 116 ALA AAA O   1 ? 
ATOM   927  C  CB  . ALA A 1 116 ? -10.920 -11.087 12.731  1.000 8.532  ? 116 ALA AAA CB  1 ? 
ATOM   928  N  N   . GLU A 1 117 ? -10.660 -9.089  14.990  1.000 7.947  ? 117 GLU AAA N   1 ? 
ATOM   929  C  CA  . GLU A 1 117 ? -11.144 -8.016  15.878  1.000 7.911  ? 117 GLU AAA CA  1 ? 
ATOM   930  C  C   . GLU A 1 117 ? -11.331 -6.765  15.027  1.000 8.473  ? 117 GLU AAA C   1 ? 
ATOM   931  O  O   . GLU A 1 117 ? -10.422 -6.375  14.315  1.000 9.256  ? 117 GLU AAA O   1 ? 
ATOM   932  C  CB  . GLU A 1 117 ? -10.200 -7.766  17.044  1.000 7.809  ? 117 GLU AAA CB  1 ? 
ATOM   933  C  CG  . GLU A 1 117 ? -10.728 -6.827  18.097  1.000 8.351  ? 117 GLU AAA CG  1 ? 
ATOM   934  C  CD  . GLU A 1 117 ? -9.804  -6.717  19.299  1.000 8.808  ? 117 GLU AAA CD  1 ? 
ATOM   935  O  OE1 . GLU A 1 117 ? -9.151  -7.773  19.646  1.000 9.416  ? 117 GLU AAA OE1 1 ? 
ATOM   936  O  OE2 . GLU A 1 117 ? -9.803  -5.619  19.967  1.000 9.379  ? 117 GLU AAA OE2 1 ? 
ATOM   937  N  N   . LEU A 1 118 ? -12.529 -6.214  15.095  1.000 7.804  ? 118 LEU AAA N   1 ? 
ATOM   938  C  CA  . LEU A 1 118 ? -12.927 -4.939  14.468  1.000 7.282  ? 118 LEU AAA CA  1 ? 
ATOM   939  C  C   . LEU A 1 118 ? -12.652 -3.798  15.444  1.000 7.278  ? 118 LEU AAA C   1 ? 
ATOM   940  O  O   . LEU A 1 118 ? -13.125 -3.882  16.599  1.000 6.883  ? 118 LEU AAA O   1 ? 
ATOM   941  C  CB  . LEU A 1 118 ? -14.431 -5.021  14.158  1.000 7.740  ? 118 LEU AAA CB  1 ? 
ATOM   942  C  CG  . LEU A 1 118 ? -15.167 -3.749  13.732  1.000 7.746  ? 118 LEU AAA CG  1 ? 
ATOM   943  C  CD1 . LEU A 1 118 ? -14.625 -3.114  12.487  1.000 7.867  ? 118 LEU AAA CD1 1 ? 
ATOM   944  C  CD2 . LEU A 1 118 ? -16.642 -4.034  13.555  1.000 8.144  ? 118 LEU AAA CD2 1 ? 
ATOM   945  N  N   . HIS A 1 119 ? -12.026 -2.720  14.951  1.000 6.656  ? 119 HIS AAA N   1 ? 
ATOM   946  C  CA  . HIS A 1 119 ? -11.814 -1.489  15.736  1.000 6.617  ? 119 HIS AAA CA  1 ? 
ATOM   947  C  C   . HIS A 1 119 ? -12.517 -0.339  15.022  1.000 6.449  ? 119 HIS AAA C   1 ? 
ATOM   948  O  O   . HIS A 1 119 ? -12.126 0.015   13.901  1.000 7.335  ? 119 HIS AAA O   1 ? 
ATOM   949  C  CB  . HIS A 1 119 ? -10.335 -1.195  15.838  1.000 6.884  ? 119 HIS AAA CB  1 ? 
ATOM   950  C  CG  . HIS A 1 119 ? -9.645  -2.210  16.674  1.000 6.443  ? 119 HIS AAA CG  1 ? 
ATOM   951  N  ND1 . HIS A 1 119 ? -8.260  -2.412  16.632  1.000 5.891  ? 119 HIS AAA ND1 1 ? 
ATOM   952  C  CD2 . HIS A 1 119 ? -10.134 -3.018  17.637  1.000 6.354  ? 119 HIS AAA CD2 1 ? 
ATOM   953  C  CE1 . HIS A 1 119 ? -7.996  -3.334  17.561  1.000 6.019  ? 119 HIS AAA CE1 1 ? 
ATOM   954  N  NE2 . HIS A 1 119 ? -9.111  -3.716  18.172  1.000 6.595  ? 119 HIS AAA NE2 1 ? 
ATOM   955  N  N   . LEU A 1 120 ? -13.503 0.245   15.688  1.000 7.176  ? 120 LEU AAA N   1 ? 
ATOM   956  C  CA  . LEU A 1 120 ? -14.168 1.485   15.254  1.000 7.382  ? 120 LEU AAA CA  1 ? 
ATOM   957  C  C   . LEU A 1 120 ? -13.532 2.620   16.012  1.000 6.929  ? 120 LEU AAA C   1 ? 
ATOM   958  O  O   . LEU A 1 120 ? -13.666 2.654   17.260  1.000 6.280  ? 120 LEU AAA O   1 ? 
ATOM   959  C  CB  . LEU A 1 120 ? -15.669 1.387   15.488  1.000 8.108  ? 120 LEU AAA CB  1 ? 
ATOM   960  C  CG  . LEU A 1 120 ? -16.333 0.327   14.621  1.000 9.174  ? 120 LEU AAA CG  1 ? 
ATOM   961  C  CD1 . LEU A 1 120 ? -17.166 -0.627  15.456  1.000 10.578 ? 120 LEU AAA CD1 1 ? 
ATOM   962  C  CD2 . LEU A 1 120 ? -17.158 0.941   13.525  1.000 9.483  ? 120 LEU AAA CD2 1 ? 
ATOM   963  N  N   . VAL A 1 121 ? -12.863 3.488   15.277  1.000 7.223  ? 121 VAL AAA N   1 ? 
ATOM   964  C  CA  . VAL A 1 121 ? -11.975 4.503   15.889  1.000 7.326  ? 121 VAL AAA CA  1 ? 
ATOM   965  C  C   . VAL A 1 121 ? -12.679 5.850   15.915  1.000 7.788  ? 121 VAL AAA C   1 ? 
ATOM   966  O  O   . VAL A 1 121 ? -13.115 6.333   14.846  1.000 8.318  ? 121 VAL AAA O   1 ? 
ATOM   967  C  CB  . VAL A 1 121 ? -10.660 4.633   15.107  1.000 7.323  ? 121 VAL AAA CB  1 ? 
ATOM   968  C  CG1 . VAL A 1 121 ? -9.770  5.707   15.746  1.000 6.900  ? 121 VAL AAA CG1 1 ? 
ATOM   969  C  CG2 . VAL A 1 121 ? -9.957  3.291   14.947  1.000 7.237  ? 121 VAL AAA CG2 1 ? 
ATOM   970  N  N   . HIS A 1 122 ? -12.781 6.450   17.114  1.000 8.085  ? 122 HIS AAA N   1 ? 
ATOM   971  C  CA  . HIS A 1 122 ? -13.460 7.746   17.331  1.000 9.002  ? 122 HIS AAA CA  1 ? 
ATOM   972  C  C   . HIS A 1 122 ? -12.536 8.724   18.044  1.000 9.528  ? 122 HIS AAA C   1 ? 
ATOM   973  O  O   . HIS A 1 122 ? -11.762 8.327   18.902  1.000 10.036 ? 122 HIS AAA O   1 ? 
ATOM   974  C  CB  . HIS A 1 122 ? -14.720 7.559   18.160  1.000 9.168  ? 122 HIS AAA CB  1 ? 
ATOM   975  C  CG  . HIS A 1 122 ? -15.619 6.439   17.750  1.000 8.768  ? 122 HIS AAA CG  1 ? 
ATOM   976  N  ND1 . HIS A 1 122 ? -15.298 5.108   18.013  1.000 8.422  ? 122 HIS AAA ND1 1 ? 
ATOM   977  C  CD2 . HIS A 1 122 ? -16.828 6.407   17.134  1.000 9.835  ? 122 HIS AAA CD2 1 ? 
ATOM   978  C  CE1 . HIS A 1 122 ? -16.267 4.336   17.569  1.000 8.832  ? 122 HIS AAA CE1 1 ? 
ATOM   979  N  NE2 . HIS A 1 122 ? -17.188 5.104   16.991  1.000 9.210  ? 122 HIS AAA NE2 1 ? 
ATOM   980  N  N   . TRP A 1 123 ? -12.623 9.995   17.701  1.000 10.427 ? 123 TRP AAA N   1 ? 
ATOM   981  C  CA  . TRP A 1 123 ? -11.809 11.017  18.388  1.000 10.012 ? 123 TRP AAA CA  1 ? 
ATOM   982  C  C   . TRP A 1 123 ? -12.692 12.019  19.108  1.000 10.076 ? 123 TRP AAA C   1 ? 
ATOM   983  O  O   . TRP A 1 123 ? -13.806 12.345  18.641  1.000 10.523 ? 123 TRP AAA O   1 ? 
ATOM   984  C  CB  . TRP A 1 123 ? -10.808 11.690  17.442  1.000 11.115 ? 123 TRP AAA CB  1 ? 
ATOM   985  C  CG  . TRP A 1 123 ? -11.422 12.358  16.251  1.000 11.084 ? 123 TRP AAA CG  1 ? 
ATOM   986  C  CD1 . TRP A 1 123 ? -11.732 11.795  15.048  1.000 11.569 ? 123 TRP AAA CD1 1 ? 
ATOM   987  C  CD2 . TRP A 1 123 ? -11.770 13.750  16.137  1.000 12.514 ? 123 TRP AAA CD2 1 ? 
ATOM   988  N  NE1 . TRP A 1 123 ? -12.261 12.735  14.203  1.000 12.853 ? 123 TRP AAA NE1 1 ? 
ATOM   989  C  CE2 . TRP A 1 123 ? -12.296 13.942  14.846  1.000 12.917 ? 123 TRP AAA CE2 1 ? 
ATOM   990  C  CE3 . TRP A 1 123 ? -11.706 14.842  17.000  1.000 13.399 ? 123 TRP AAA CE3 1 ? 
ATOM   991  C  CZ2 . TRP A 1 123 ? -12.740 15.180  14.381  1.000 13.082 ? 123 TRP AAA CZ2 1 ? 
ATOM   992  C  CZ3 . TRP A 1 123 ? -12.104 16.076  16.526  1.000 14.039 ? 123 TRP AAA CZ3 1 ? 
ATOM   993  C  CH2 . TRP A 1 123 ? -12.644 16.241  15.254  1.000 13.827 ? 123 TRP AAA CH2 1 ? 
ATOM   994  N  N   . ASN A 1 124 ? -12.171 12.520  20.219  1.000 10.405 ? 124 ASN AAA N   1 ? 
ATOM   995  C  CA  . ASN A 1 124 ? -12.858 13.469  21.128  1.000 11.492 ? 124 ASN AAA CA  1 ? 
ATOM   996  C  C   . ASN A 1 124 ? -12.955 14.865  20.490  1.000 12.852 ? 124 ASN AAA C   1 ? 
ATOM   997  O  O   . ASN A 1 124 ? -11.914 15.469  20.292  1.000 12.368 ? 124 ASN AAA O   1 ? 
ATOM   998  C  CB  . ASN A 1 124 ? -12.089 13.497  22.438  1.000 11.223 ? 124 ASN AAA CB  1 ? 
ATOM   999  C  CG  . ASN A 1 124 ? -12.892 14.120  23.553  1.000 11.108 ? 124 ASN AAA CG  1 ? 
ATOM   1000 O  OD1 . ASN A 1 124 ? -13.733 14.974  23.268  1.000 12.767 ? 124 ASN AAA OD1 1 ? 
ATOM   1001 N  ND2 . ASN A 1 124 ? -12.616 13.683  24.765  1.000 12.717 ? 124 ASN AAA ND2 1 ? 
ATOM   1002 N  N   . THR A 1 125 ? -14.170 15.354  20.223  1.000 15.937 ? 125 THR AAA N   1 ? 
ATOM   1003 C  CA  . THR A 1 125 ? -14.390 16.617  19.481  1.000 16.814 ? 125 THR AAA CA  1 ? 
ATOM   1004 C  C   . THR A 1 125 ? -13.903 17.796  20.339  1.000 16.943 ? 125 THR AAA C   1 ? 
ATOM   1005 O  O   . THR A 1 125 ? -13.722 18.858  19.735  1.000 17.007 ? 125 THR AAA O   1 ? 
ATOM   1006 C  CB  . THR A 1 125 ? -15.849 16.787  19.019  1.000 17.129 ? 125 THR AAA CB  1 ? 
ATOM   1007 O  OG1 . THR A 1 125 ? -16.606 16.800  20.218  1.000 19.232 ? 125 THR AAA OG1 1 ? 
ATOM   1008 C  CG2 . THR A 1 125 ? -16.309 15.708  18.062  1.000 21.032 ? 125 THR AAA CG2 1 ? 
ATOM   1009 N  N   . LYS A 1 126 ? -13.639 17.635  21.650  1.000 14.314 ? 126 LYS AAA N   1 ? 
ATOM   1010 C  CA  . LYS A 1 126 ? -13.254 18.814  22.473  1.000 16.642 ? 126 LYS AAA CA  1 ? 
ATOM   1011 C  C   . LYS A 1 126 ? -11.795 19.110  22.127  1.000 15.528 ? 126 LYS AAA C   1 ? 
ATOM   1012 O  O   . LYS A 1 126 ? -11.350 20.251  22.253  1.000 16.766 ? 126 LYS AAA O   1 ? 
ATOM   1013 C  CB  . LYS A 1 126 ? -13.440 18.587  23.966  1.000 19.851 ? 126 LYS AAA CB  1 ? 
ATOM   1014 C  CG  . LYS A 1 126 ? -12.436 17.678  24.626  1.000 22.193 ? 126 LYS AAA CG  1 ? 
ATOM   1015 C  CD  . LYS A 1 126 ? -12.804 17.451  26.070  1.000 24.360 ? 126 LYS AAA CD  1 ? 
ATOM   1016 C  CE  . LYS A 1 126 ? -11.609 16.952  26.839  1.000 28.062 ? 126 LYS AAA CE  1 ? 
ATOM   1017 N  NZ  . LYS A 1 126 ? -11.337 17.785  28.030  1.000 31.407 ? 126 LYS AAA NZ  1 ? 
ATOM   1018 N  N   . TYR A 1 127 ? -11.016 18.205  21.142  1.000 14.248 ? 128 TYR AAA N   1 ? 
ATOM   1019 C  CA  . TYR A 1 127 ? -9.639  18.561  20.763  1.000 13.384 ? 128 TYR AAA CA  1 ? 
ATOM   1020 C  C   . TYR A 1 127 ? -9.584  19.049  19.310  1.000 13.193 ? 128 TYR AAA C   1 ? 
ATOM   1021 O  O   . TYR A 1 127 ? -8.506  19.299  18.785  1.000 13.388 ? 128 TYR AAA O   1 ? 
ATOM   1022 C  CB  . TYR A 1 127 ? -8.747  17.350  21.055  1.000 13.332 ? 128 TYR AAA CB  1 ? 
ATOM   1023 C  CG  . TYR A 1 127 ? -8.691  17.029  22.533  1.000 13.762 ? 128 TYR AAA CG  1 ? 
ATOM   1024 C  CD1 . TYR A 1 127 ? -8.325  18.004  23.459  1.000 15.044 ? 128 TYR AAA CD1 1 ? 
ATOM   1025 C  CD2 . TYR A 1 127 ? -9.000  15.786  23.038  1.000 13.737 ? 128 TYR AAA CD2 1 ? 
ATOM   1026 C  CE1 . TYR A 1 127 ? -8.300  17.732  24.825  1.000 15.288 ? 128 TYR AAA CE1 1 ? 
ATOM   1027 C  CE2 . TYR A 1 127 ? -8.962  15.489  24.390  1.000 14.324 ? 128 TYR AAA CE2 1 ? 
ATOM   1028 C  CZ  . TYR A 1 127 ? -8.596  16.459  25.299  1.000 13.477 ? 128 TYR AAA CZ  1 ? 
ATOM   1029 O  OH  . TYR A 1 127 ? -8.615  16.121  26.625  1.000 18.367 ? 128 TYR AAA OH  1 ? 
ATOM   1030 N  N   . GLY A 1 128 ? -10.707 19.114  18.603  1.000 14.424 ? 129 GLY AAA N   1 ? 
ATOM   1031 C  CA  . GLY A 1 128 ? -10.777 19.840  17.326  1.000 13.765 ? 129 GLY AAA CA  1 ? 
ATOM   1032 C  C   . GLY A 1 128 ? -10.371 19.028  16.114  1.000 14.668 ? 129 GLY AAA C   1 ? 
ATOM   1033 O  O   . GLY A 1 128 ? -11.002 19.163  15.008  1.000 14.826 ? 129 GLY AAA O   1 ? 
ATOM   1034 N  N   . ASP A 1 129 ? -9.316  18.230  16.224  1.000 13.743 ? 130 ASP AAA N   1 ? 
ATOM   1035 C  CA  . ASP A 1 129 ? -8.922  17.353  15.095  1.000 13.936 ? 130 ASP AAA CA  1 ? 
ATOM   1036 C  C   . ASP A 1 129 ? -8.276  16.105  15.686  1.000 13.934 ? 130 ASP AAA C   1 ? 
ATOM   1037 O  O   . ASP A 1 129 ? -7.844  16.101  16.875  1.000 12.299 ? 130 ASP AAA O   1 ? 
ATOM   1038 C  CB  . ASP A 1 129 ? -8.045  18.093  14.090  1.000 15.598 ? 130 ASP AAA CB  1 ? 
ATOM   1039 C  CG  . ASP A 1 129 ? -6.647  18.510  14.542  1.000 17.836 ? 130 ASP AAA CG  1 ? 
ATOM   1040 O  OD1 . ASP A 1 129 ? -5.857  17.633  14.941  1.000 20.167 ? 130 ASP AAA OD1 1 ? 
ATOM   1041 O  OD2 . ASP A 1 129 ? -6.284  19.713  14.369  1.000 21.114 ? 130 ASP AAA OD2 1 ? 
ATOM   1042 N  N   . PHE A 1 130 ? -8.104  15.106  14.848  1.000 12.511 ? 131 PHE AAA N   1 ? 
ATOM   1043 C  CA  . PHE A 1 130 ? -7.608  13.777  15.263  1.000 13.208 ? 131 PHE AAA CA  1 ? 
ATOM   1044 C  C   . PHE A 1 130 ? -6.158  13.855  15.742  1.000 12.388 ? 131 PHE AAA C   1 ? 
ATOM   1045 O  O   . PHE A 1 130 ? -5.794  13.230  16.743  1.000 11.537 ? 131 PHE AAA O   1 ? 
ATOM   1046 C  CB  . PHE A 1 130 ? -7.745  12.785  14.109  1.000 13.254 ? 131 PHE AAA CB  1 ? 
ATOM   1047 C  CG  . PHE A 1 130 ? -7.204  11.419  14.415  1.000 14.040 ? 131 PHE AAA CG  1 ? 
ATOM   1048 C  CD1 . PHE A 1 130 ? -8.042  10.461  14.972  1.000 15.000 ? 131 PHE AAA CD1 1 ? 
ATOM   1049 C  CD2 . PHE A 1 130 ? -5.870  11.073  14.170  1.000 15.922 ? 131 PHE AAA CD2 1 ? 
ATOM   1050 C  CE1 . PHE A 1 130 ? -7.577  9.189   15.286  1.000 14.624 ? 131 PHE AAA CE1 1 ? 
ATOM   1051 C  CE2 . PHE A 1 130 ? -5.427  9.787   14.447  1.000 15.013 ? 131 PHE AAA CE2 1 ? 
ATOM   1052 C  CZ  . PHE A 1 130 ? -6.275  8.861   15.026  1.000 15.773 ? 131 PHE AAA CZ  1 ? 
ATOM   1053 N  N   . GLY A 1 131 ? -5.318  14.607  15.029  1.000 12.898 ? 132 GLY AAA N   1 ? 
ATOM   1054 C  CA  . GLY A 1 131 ? -3.899  14.702  15.380  1.000 12.854 ? 132 GLY AAA CA  1 ? 
ATOM   1055 C  C   . GLY A 1 131 ? -3.682  15.342  16.742  1.000 11.782 ? 132 GLY AAA C   1 ? 
ATOM   1056 O  O   . GLY A 1 131 ? -2.707  14.997  17.411  1.000 15.303 ? 132 GLY AAA O   1 ? 
ATOM   1057 N  N   . LYS A 1 132 ? -4.564  16.278  17.132  1.000 12.068 ? 133 LYS AAA N   1 ? 
ATOM   1058 C  CA  A LYS A 1 132 ? -4.557  16.886  18.473  1.000 12.406 ? 133 LYS AAA CA  1 ? 
ATOM   1059 C  C   . LYS A 1 132 ? -5.074  15.885  19.511  1.000 12.130 ? 133 LYS AAA C   1 ? 
ATOM   1060 O  O   . LYS A 1 132 ? -4.550  15.800  20.607  1.000 13.929 ? 133 LYS AAA O   1 ? 
ATOM   1061 C  CB  A LYS A 1 132 ? -5.363  18.190  18.495  1.000 14.113 ? 133 LYS AAA CB  1 ? 
ATOM   1062 C  CG  A LYS A 1 132 ? -4.625  19.366  17.883  1.000 16.244 ? 133 LYS AAA CG  1 ? 
ATOM   1063 C  CD  A LYS A 1 132 ? -3.355  19.624  18.638  1.000 17.572 ? 133 LYS AAA CD  1 ? 
ATOM   1064 C  CE  A LYS A 1 132 ? -3.403  20.878  19.465  1.000 23.191 ? 133 LYS AAA CE  1 ? 
ATOM   1065 N  NZ  A LYS A 1 132 ? -3.135  21.978  18.529  1.000 23.631 ? 133 LYS AAA NZ  1 ? 
ATOM   1066 N  N   . ALA A 1 133 ? -6.131  15.155  19.160  1.000 11.971 ? 134 ALA AAA N   1 ? 
ATOM   1067 C  CA  . ALA A 1 133 ? -6.761  14.212  20.106  1.000 11.139 ? 134 ALA AAA CA  1 ? 
ATOM   1068 C  C   . ALA A 1 133 ? -5.754  13.124  20.515  1.000 11.104 ? 134 ALA AAA C   1 ? 
ATOM   1069 O  O   . ALA A 1 133 ? -5.775  12.726  21.672  1.000 11.950 ? 134 ALA AAA O   1 ? 
ATOM   1070 C  CB  . ALA A 1 133 ? -8.016  13.661  19.470  1.000 10.444 ? 134 ALA AAA CB  1 ? 
ATOM   1071 N  N   . VAL A 1 134 ? -4.924  12.608  19.603  1.000 11.964 ? 135 VAL AAA N   1 ? 
ATOM   1072 C  CA  . VAL A 1 134 ? -4.024  11.468  19.955  1.000 11.833 ? 135 VAL AAA CA  1 ? 
ATOM   1073 C  C   . VAL A 1 134 ? -2.909  11.916  20.917  1.000 12.728 ? 135 VAL AAA C   1 ? 
ATOM   1074 O  O   . VAL A 1 134 ? -2.207  11.039  21.433  1.000 12.150 ? 135 VAL AAA O   1 ? 
ATOM   1075 C  CB  . VAL A 1 134 ? -3.460  10.751  18.704  1.000 13.135 ? 135 VAL AAA CB  1 ? 
ATOM   1076 C  CG1 . VAL A 1 134 ? -4.590  10.201  17.868  1.000 13.998 ? 135 VAL AAA CG1 1 ? 
ATOM   1077 C  CG2 . VAL A 1 134 ? -2.584  11.695  17.870  1.000 12.639 ? 135 VAL AAA CG2 1 ? 
ATOM   1078 N  N   . GLN A 1 135 ? -2.760  13.218  21.187  1.000 12.903 ? 136 GLN AAA N   1 ? 
ATOM   1079 C  CA  . GLN A 1 135 ? -1.786  13.783  22.162  1.000 14.808 ? 136 GLN AAA CA  1 ? 
ATOM   1080 C  C   . GLN A 1 135 ? -2.400  13.831  23.569  1.000 15.378 ? 136 GLN AAA C   1 ? 
ATOM   1081 O  O   . GLN A 1 135 ? -1.742  14.317  24.478  1.000 15.336 ? 136 GLN AAA O   1 ? 
ATOM   1082 C  CB  . GLN A 1 135 ? -1.299  15.166  21.695  1.000 16.633 ? 136 GLN AAA CB  1 ? 
ATOM   1083 C  CG  . GLN A 1 135 ? -0.568  15.139  20.348  1.000 18.584 ? 136 GLN AAA CG  1 ? 
ATOM   1084 C  CD  . GLN A 1 135 ? -0.170  16.514  19.858  1.000 24.300 ? 136 GLN AAA CD  1 ? 
ATOM   1085 O  OE1 . GLN A 1 135 ? 0.518   17.274  20.556  1.000 32.400 ? 136 GLN AAA OE1 1 ? 
ATOM   1086 N  NE2 . GLN A 1 135 ? -0.666  16.874  18.682  1.000 26.565 ? 136 GLN AAA NE2 1 ? 
ATOM   1087 N  N   . GLN A 1 136 ? -3.640  13.393  23.758  1.000 12.176 ? 137 GLN AAA N   1 ? 
ATOM   1088 C  CA  . GLN A 1 136 ? -4.386  13.533  25.014  1.000 13.547 ? 137 GLN AAA CA  1 ? 
ATOM   1089 C  C   . GLN A 1 136 ? -4.734  12.154  25.558  1.000 13.072 ? 137 GLN AAA C   1 ? 
ATOM   1090 O  O   . GLN A 1 136 ? -5.099  11.247  24.797  1.000 12.582 ? 137 GLN AAA O   1 ? 
ATOM   1091 C  CB  . GLN A 1 136 ? -5.635  14.361  24.754  1.000 14.076 ? 137 GLN AAA CB  1 ? 
ATOM   1092 C  CG  . GLN A 1 136 ? -5.294  15.742  24.187  1.000 16.329 ? 137 GLN AAA CG  1 ? 
ATOM   1093 C  CD  . GLN A 1 136 ? -4.487  16.597  25.145  1.000 17.448 ? 137 GLN AAA CD  1 ? 
ATOM   1094 O  OE1 . GLN A 1 136 ? -4.524  16.405  26.353  1.000 22.374 ? 137 GLN AAA OE1 1 ? 
ATOM   1095 N  NE2 . GLN A 1 136 ? -3.772  17.570  24.606  1.000 25.495 ? 137 GLN AAA NE2 1 ? 
ATOM   1096 N  N   . PRO A 1 137 ? -4.702  11.972  26.888  1.000 13.693 ? 138 PRO AAA N   1 ? 
ATOM   1097 C  CA  A PRO A 1 137 ? -5.034  10.685  27.495  1.000 14.740 ? 138 PRO AAA CA  1 ? 
ATOM   1098 C  C   . PRO A 1 137 ? -6.501  10.278  27.267  1.000 15.174 ? 138 PRO AAA C   1 ? 
ATOM   1099 O  O   . PRO A 1 137 ? -6.773  9.089   27.337  1.000 16.485 ? 138 PRO AAA O   1 ? 
ATOM   1100 C  CB  A PRO A 1 137 ? -4.807  10.849  29.008  1.000 15.518 ? 138 PRO AAA CB  1 ? 
ATOM   1101 C  CG  A PRO A 1 137 ? -4.537  12.321  29.216  1.000 16.376 ? 138 PRO AAA CG  1 ? 
ATOM   1102 C  CD  A PRO A 1 137 ? -4.399  13.021  27.876  1.000 13.572 ? 138 PRO AAA CD  1 ? 
ATOM   1103 N  N   . ASP A 1 138 ? -7.386  11.232  26.997  1.000 13.655 ? 139 ASP AAA N   1 ? 
ATOM   1104 C  CA  . ASP A 1 138 ? -8.816  10.939  26.722  1.000 13.044 ? 139 ASP AAA CA  1 ? 
ATOM   1105 C  C   . ASP A 1 138 ? -9.123  11.366  25.273  1.000 12.871 ? 139 ASP AAA C   1 ? 
ATOM   1106 O  O   . ASP A 1 138 ? -10.237 11.776  24.990  1.000 13.295 ? 139 ASP AAA O   1 ? 
ATOM   1107 C  CB  . ASP A 1 138 ? -9.708  11.600  27.772  1.000 14.406 ? 139 ASP AAA CB  1 ? 
ATOM   1108 C  CG  . ASP A 1 138 ? -9.566  13.098  27.797  1.000 17.236 ? 139 ASP AAA CG  1 ? 
ATOM   1109 O  OD1 . ASP A 1 138 ? -8.618  13.626  27.167  1.000 16.458 ? 139 ASP AAA OD1 1 ? 
ATOM   1110 O  OD2 . ASP A 1 138 ? -10.435 13.741  28.466  1.000 20.716 ? 139 ASP AAA OD2 1 ? 
ATOM   1111 N  N   . GLY A 1 139 ? -8.175  11.222  24.354  1.000 10.385 ? 140 GLY AAA N   1 ? 
ATOM   1112 C  CA  . GLY A 1 139 ? -8.354  11.724  22.987  1.000 9.630  ? 140 GLY AAA CA  1 ? 
ATOM   1113 C  C   . GLY A 1 139 ? -9.153  10.799  22.086  1.000 9.158  ? 140 GLY AAA C   1 ? 
ATOM   1114 O  O   . GLY A 1 139 ? -9.820  11.283  21.174  1.000 9.845  ? 140 GLY AAA O   1 ? 
ATOM   1115 N  N   . LEU A 1 140 ? -9.055  9.480   22.274  1.000 9.958  ? 141 LEU AAA N   1 ? 
ATOM   1116 C  CA  . LEU A 1 140 ? -9.747  8.509   21.394  1.000 9.324  ? 141 LEU AAA CA  1 ? 
ATOM   1117 C  C   . LEU A 1 140 ? -10.621 7.572   22.209  1.000 9.124  ? 141 LEU AAA C   1 ? 
ATOM   1118 O  O   . LEU A 1 140 ? -10.305 7.328   23.352  1.000 7.906  ? 141 LEU AAA O   1 ? 
ATOM   1119 C  CB  . LEU A 1 140 ? -8.752  7.651   20.609  1.000 11.039 ? 141 LEU AAA CB  1 ? 
ATOM   1120 C  CG  . LEU A 1 140 ? -7.754  8.306   19.666  1.000 12.805 ? 141 LEU AAA CG  1 ? 
ATOM   1121 C  CD1 . LEU A 1 140 ? -7.133  7.252   18.792  1.000 13.134 ? 141 LEU AAA CD1 1 ? 
ATOM   1122 C  CD2 . LEU A 1 140 ? -8.241  9.451   18.812  1.000 15.093 ? 141 LEU AAA CD2 1 ? 
ATOM   1123 N  N   . ALA A 1 141 ? -11.581 6.995   21.509  1.000 8.483  ? 142 ALA AAA N   1 ? 
ATOM   1124 C  CA  . ALA A 1 141 ? -12.420 5.885   22.001  1.000 8.124  ? 142 ALA AAA CA  1 ? 
ATOM   1125 C  C   . ALA A 1 141 ? -12.420 4.877   20.866  1.000 7.916  ? 142 ALA AAA C   1 ? 
ATOM   1126 O  O   . ALA A 1 141 ? -12.837 5.219   19.766  1.000 7.936  ? 142 ALA AAA O   1 ? 
ATOM   1127 C  CB  . ALA A 1 141 ? -13.823 6.332   22.347  1.000 8.714  ? 142 ALA AAA CB  1 ? 
ATOM   1128 N  N   . VAL A 1 142 ? -11.925 3.678   21.127  1.000 7.464  ? 143 VAL AAA N   1 ? 
ATOM   1129 C  CA  . VAL A 1 142 ? -11.996 2.597   20.115  1.000 7.697  ? 143 VAL AAA CA  1 ? 
ATOM   1130 C  C   . VAL A 1 142 ? -13.007 1.582   20.622  1.000 8.415  ? 143 VAL AAA C   1 ? 
ATOM   1131 O  O   . VAL A 1 142 ? -12.847 1.062   21.747  1.000 8.605  ? 143 VAL AAA O   1 ? 
ATOM   1132 C  CB  . VAL A 1 142 ? -10.623 2.006   19.775  1.000 7.369  ? 143 VAL AAA CB  1 ? 
ATOM   1133 C  CG1 . VAL A 1 142 ? -10.781 1.007   18.639  1.000 7.779  ? 143 VAL AAA CG1 1 ? 
ATOM   1134 C  CG2 . VAL A 1 142 ? -9.644  3.092   19.396  1.000 7.282  ? 143 VAL AAA CG2 1 ? 
ATOM   1135 N  N   . LEU A 1 143 ? -13.970 1.266   19.773  1.000 8.393  ? 144 LEU AAA N   1 ? 
ATOM   1136 C  CA  . LEU A 1 143 ? -14.974 0.231   20.046  1.000 8.616  ? 144 LEU AAA CA  1 ? 
ATOM   1137 C  C   . LEU A 1 143 ? -14.444 -1.043  19.408  1.000 8.223  ? 144 LEU AAA C   1 ? 
ATOM   1138 O  O   . LEU A 1 143 ? -14.222 -1.078  18.198  1.000 8.395  ? 144 LEU AAA O   1 ? 
ATOM   1139 C  CB  . LEU A 1 143 ? -16.308 0.714   19.475  1.000 9.582  ? 144 LEU AAA CB  1 ? 
ATOM   1140 C  CG  . LEU A 1 143 ? -17.491 -0.218  19.683  1.000 11.004 ? 144 LEU AAA CG  1 ? 
ATOM   1141 C  CD1 . LEU A 1 143 ? -17.690 -0.570  21.138  1.000 12.262 ? 144 LEU AAA CD1 1 ? 
ATOM   1142 C  CD2 . LEU A 1 143 ? -18.755 0.392   19.068  1.000 11.025 ? 144 LEU AAA CD2 1 ? 
ATOM   1143 N  N   . GLY A 1 144 ? -14.141 -2.038  20.236  1.000 7.870  ? 145 GLY AAA N   1 ? 
ATOM   1144 C  CA  . GLY A 1 144 ? -13.556 -3.290  19.761  1.000 8.091  ? 145 GLY AAA CA  1 ? 
ATOM   1145 C  C   . GLY A 1 144 ? -14.625 -4.371  19.755  1.000 8.564  ? 145 GLY AAA C   1 ? 
ATOM   1146 O  O   . GLY A 1 144 ? -15.381 -4.489  20.741  1.000 7.557  ? 145 GLY AAA O   1 ? 
ATOM   1147 N  N   . ILE A 1 145 ? -14.694 -5.119  18.658  1.000 7.785  ? 146 ILE AAA N   1 ? 
ATOM   1148 C  CA  . ILE A 1 145 ? -15.725 -6.169  18.440  1.000 8.367  ? 146 ILE AAA CA  1 ? 
ATOM   1149 C  C   . ILE A 1 145 ? -15.033 -7.427  17.950  1.000 7.549  ? 146 ILE AAA C   1 ? 
ATOM   1150 O  O   . ILE A 1 145 ? -14.297 -7.389  16.988  1.000 8.786  ? 146 ILE AAA O   1 ? 
ATOM   1151 C  CB  . ILE A 1 145 ? -16.804 -5.702  17.472  1.000 8.864  ? 146 ILE AAA CB  1 ? 
ATOM   1152 C  CG1 . ILE A 1 145 ? -17.427 -4.413  17.996  1.000 9.686  ? 146 ILE AAA CG1 1 ? 
ATOM   1153 C  CG2 . ILE A 1 145 ? -17.831 -6.797  17.240  1.000 9.422  ? 146 ILE AAA CG2 1 ? 
ATOM   1154 C  CD1 . ILE A 1 145 ? -18.449 -3.813  17.127  1.000 10.417 ? 146 ILE AAA CD1 1 ? 
ATOM   1155 N  N   . PHE A 1 146 ? -15.181 -8.509  18.670  1.000 7.419  ? 147 PHE AAA N   1 ? 
ATOM   1156 C  CA  . PHE A 1 146 ? -14.571 -9.786  18.265  1.000 7.709  ? 147 PHE AAA CA  1 ? 
ATOM   1157 C  C   . PHE A 1 146 ? -15.336 -10.434 17.101  1.000 8.473  ? 147 PHE AAA C   1 ? 
ATOM   1158 O  O   . PHE A 1 146 ? -16.561 -10.322 17.025  1.000 9.088  ? 147 PHE AAA O   1 ? 
ATOM   1159 C  CB  . PHE A 1 146 ? -14.589 -10.729 19.456  1.000 7.186  ? 147 PHE AAA CB  1 ? 
ATOM   1160 C  CG  . PHE A 1 146 ? -13.718 -10.280 20.592  1.000 7.353  ? 147 PHE AAA CG  1 ? 
ATOM   1161 C  CD1 . PHE A 1 146 ? -12.359 -10.117 20.441  1.000 7.162  ? 147 PHE AAA CD1 1 ? 
ATOM   1162 C  CD2 . PHE A 1 146 ? -14.267 -10.054 21.830  1.000 7.689  ? 147 PHE AAA CD2 1 ? 
ATOM   1163 C  CE1 . PHE A 1 146 ? -11.556 -9.750  21.511  1.000 7.566  ? 147 PHE AAA CE1 1 ? 
ATOM   1164 C  CE2 . PHE A 1 146 ? -13.481 -9.650  22.882  1.000 8.149  ? 147 PHE AAA CE2 1 ? 
ATOM   1165 C  CZ  . PHE A 1 146 ? -12.131 -9.500  22.725  1.000 7.594  ? 147 PHE AAA CZ  1 ? 
ATOM   1166 N  N   . LEU A 1 147 ? -14.600 -11.137 16.228  1.000 9.237  ? 148 LEU AAA N   1 ? 
ATOM   1167 C  CA  . LEU A 1 147 ? -15.204 -11.959 15.154  1.000 9.394  ? 148 LEU AAA CA  1 ? 
ATOM   1168 C  C   . LEU A 1 147 ? -14.895 -13.425 15.417  1.000 10.703 ? 148 LEU AAA C   1 ? 
ATOM   1169 O  O   . LEU A 1 147 ? -13.737 -13.770 15.650  1.000 11.259 ? 148 LEU AAA O   1 ? 
ATOM   1170 C  CB  . LEU A 1 147 ? -14.581 -11.543 13.825  1.000 9.996  ? 148 LEU AAA CB  1 ? 
ATOM   1171 C  CG  . LEU A 1 147 ? -15.154 -10.324 13.126  1.000 9.157  ? 148 LEU AAA CG  1 ? 
ATOM   1172 C  CD1 . LEU A 1 147 ? -14.954 -9.036  13.935  1.000 10.151 ? 148 LEU AAA CD1 1 ? 
ATOM   1173 C  CD2 . LEU A 1 147 ? -14.538 -10.201 11.716  1.000 9.825  ? 148 LEU AAA CD2 1 ? 
ATOM   1174 N  N   . LYS A 1 148 ? -15.934 -14.239 15.348  1.000 12.278 ? 149 LYS AAA N   1 ? 
ATOM   1175 C  CA  . LYS A 1 148 ? -15.767 -15.698 15.317  1.000 13.038 ? 149 LYS AAA CA  1 ? 
ATOM   1176 C  C   . LYS A 1 148 ? -16.232 -16.207 13.951  1.000 12.859 ? 149 LYS AAA C   1 ? 
ATOM   1177 O  O   . LYS A 1 148 ? -17.026 -15.511 13.256  1.000 12.065 ? 149 LYS AAA O   1 ? 
ATOM   1178 C  CB  . LYS A 1 148 ? -16.503 -16.321 16.499  1.000 14.719 ? 149 LYS AAA CB  1 ? 
ATOM   1179 C  CG  . LYS A 1 148 ? -18.011 -16.251 16.465  1.000 16.938 ? 149 LYS AAA CG  1 ? 
ATOM   1180 C  CD  . LYS A 1 148 ? -18.648 -16.971 17.641  1.000 21.414 ? 149 LYS AAA CD  1 ? 
ATOM   1181 C  CE  . LYS A 1 148 ? -20.110 -17.289 17.403  1.000 25.983 ? 149 LYS AAA CE  1 ? 
ATOM   1182 N  NZ  . LYS A 1 148 ? -20.884 -17.444 18.661  1.000 26.750 ? 149 LYS AAA NZ  1 ? 
ATOM   1183 N  N   . VAL A 1 149 ? -15.723 -17.384 13.589  1.000 13.892 ? 150 VAL AAA N   1 ? 
ATOM   1184 C  CA  . VAL A 1 149 ? -16.056 -18.019 12.278  1.000 15.667 ? 150 VAL AAA CA  1 ? 
ATOM   1185 C  C   . VAL A 1 149 ? -17.283 -18.928 12.462  1.000 16.665 ? 150 VAL AAA C   1 ? 
ATOM   1186 O  O   . VAL A 1 149 ? -17.253 -19.841 13.332  1.000 18.626 ? 150 VAL AAA O   1 ? 
ATOM   1187 C  CB  . VAL A 1 149 ? -14.854 -18.752 11.653  1.000 15.942 ? 150 VAL AAA CB  1 ? 
ATOM   1188 C  CG1 . VAL A 1 149 ? -15.283 -19.543 10.413  1.000 16.494 ? 150 VAL AAA CG1 1 ? 
ATOM   1189 C  CG2 . VAL A 1 149 ? -13.736 -17.776 11.277  1.000 17.874 ? 150 VAL AAA CG2 1 ? 
ATOM   1190 N  N   . GLY A 1 150 ? -18.348 -18.634 11.723  1.000 16.315 ? 151 GLY AAA N   1 ? 
ATOM   1191 C  CA  . GLY A 1 150 ? -19.562 -19.474 11.685  1.000 17.856 ? 151 GLY AAA CA  1 ? 
ATOM   1192 C  C   . GLY A 1 150 ? -20.443 -19.037 10.533  1.000 16.233 ? 151 GLY AAA C   1 ? 
ATOM   1193 O  O   . GLY A 1 150 ? -20.025 -19.135 9.356   1.000 17.429 ? 151 GLY AAA O   1 ? 
ATOM   1194 N  N   . SER A 1 151 ? -21.598 -18.484 10.853  1.000 17.848 ? 152 SER AAA N   1 ? 
ATOM   1195 C  CA  A SER A 1 151 ? -22.535 -17.911 9.853   0.500 17.165 ? 152 SER AAA CA  1 ? 
ATOM   1196 C  CA  B SER A 1 151 ? -22.528 -17.918 9.838   0.500 17.896 ? 152 SER AAA CA  1 ? 
ATOM   1197 C  C   . SER A 1 151 ? -21.974 -16.596 9.307   1.000 19.344 ? 152 SER AAA C   1 ? 
ATOM   1198 O  O   . SER A 1 151 ? -21.320 -15.870 10.088  1.000 19.238 ? 152 SER AAA O   1 ? 
ATOM   1199 C  CB  A SER A 1 151 ? -23.902 -17.725 10.447  0.500 18.265 ? 152 SER AAA CB  1 ? 
ATOM   1200 C  CB  B SER A 1 151 ? -23.927 -17.747 10.368  0.500 19.893 ? 152 SER AAA CB  1 ? 
ATOM   1201 O  OG  A SER A 1 151 ? -24.410 -18.972 10.904  0.500 18.131 ? 152 SER AAA OG  1 ? 
ATOM   1202 O  OG  B SER A 1 151 ? -23.934 -17.686 11.782  0.500 21.904 ? 152 SER AAA OG  1 ? 
ATOM   1203 N  N   . ALA A 1 152 ? -22.286 -16.293 8.055   1.000 18.027 ? 153 ALA AAA N   1 ? 
ATOM   1204 C  CA  . ALA A 1 152 ? -21.871 -15.052 7.368   1.000 18.057 ? 153 ALA AAA CA  1 ? 
ATOM   1205 C  C   . ALA A 1 152 ? -22.471 -13.846 8.093   1.000 17.203 ? 153 ALA AAA C   1 ? 
ATOM   1206 O  O   . ALA A 1 152 ? -23.602 -13.903 8.557   1.000 16.978 ? 153 ALA AAA O   1 ? 
ATOM   1207 C  CB  . ALA A 1 152 ? -22.288 -15.085 5.918   1.000 18.847 ? 153 ALA AAA CB  1 ? 
ATOM   1208 N  N   . LYS A 1 153 ? -21.726 -12.742 8.137   1.000 15.556 ? 154 LYS AAA N   1 ? 
ATOM   1209 C  CA  . LYS A 1 153 ? -22.263 -11.436 8.560   1.000 15.753 ? 154 LYS AAA CA  1 ? 
ATOM   1210 C  C   . LYS A 1 153 ? -22.712 -10.674 7.322   1.000 15.623 ? 154 LYS AAA C   1 ? 
ATOM   1211 O  O   . LYS A 1 153 ? -21.897 -10.243 6.518   1.000 14.759 ? 154 LYS AAA O   1 ? 
ATOM   1212 C  CB  . LYS A 1 153 ? -21.178 -10.661 9.297   1.000 16.001 ? 154 LYS AAA CB  1 ? 
ATOM   1213 C  CG  . LYS A 1 153 ? -21.655 -9.428  10.021  1.000 17.270 ? 154 LYS AAA CG  1 ? 
ATOM   1214 C  CD  . LYS A 1 153 ? -22.563 -9.761  11.147  1.000 17.482 ? 154 LYS AAA CD  1 ? 
ATOM   1215 C  CE  . LYS A 1 153 ? -22.692 -8.591  12.084  1.000 16.787 ? 154 LYS AAA CE  1 ? 
ATOM   1216 N  NZ  . LYS A 1 153 ? -23.661 -8.911  13.152  1.000 17.147 ? 154 LYS AAA NZ  1 ? 
ATOM   1217 N  N   . PRO A 1 154 ? -24.026 -10.551 7.047   1.000 16.496 ? 155 PRO AAA N   1 ? 
ATOM   1218 C  CA  . PRO A 1 154 ? -24.448 -9.919  5.791   1.000 16.184 ? 155 PRO AAA CA  1 ? 
ATOM   1219 C  C   . PRO A 1 154 ? -23.947 -8.484  5.630   1.000 15.220 ? 155 PRO AAA C   1 ? 
ATOM   1220 O  O   . PRO A 1 154 ? -23.522 -8.135  4.556   1.000 18.209 ? 155 PRO AAA O   1 ? 
ATOM   1221 C  CB  . PRO A 1 154 ? -25.989 -9.946  5.845   1.000 16.450 ? 155 PRO AAA CB  1 ? 
ATOM   1222 C  CG  . PRO A 1 154 ? -26.314 -11.026 6.852   1.000 17.606 ? 155 PRO AAA CG  1 ? 
ATOM   1223 C  CD  . PRO A 1 154 ? -25.152 -11.089 7.830   1.000 17.889 ? 155 PRO AAA CD  1 ? 
ATOM   1224 N  N   . GLY A 1 155 ? -23.858 -7.745  6.744   1.000 16.046 ? 156 GLY AAA N   1 ? 
ATOM   1225 C  CA  . GLY A 1 155 ? -23.452 -6.332  6.782   1.000 14.700 ? 156 GLY AAA CA  1 ? 
ATOM   1226 C  C   . GLY A 1 155 ? -21.963 -6.165  6.496   1.000 14.574 ? 156 GLY AAA C   1 ? 
ATOM   1227 O  O   . GLY A 1 155 ? -21.536 -5.006  6.252   1.000 19.015 ? 156 GLY AAA O   1 ? 
ATOM   1228 N  N   . LEU A 1 156 ? -21.208 -7.267  6.443   1.000 13.114 ? 157 LEU AAA N   1 ? 
ATOM   1229 C  CA  . LEU A 1 156 ? -19.755 -7.257  6.102   1.000 13.928 ? 157 LEU AAA CA  1 ? 
ATOM   1230 C  C   . LEU A 1 156 ? -19.539 -7.502  4.610   1.000 13.451 ? 157 LEU AAA C   1 ? 
ATOM   1231 O  O   . LEU A 1 156 ? -18.422 -7.288  4.154   1.000 13.154 ? 157 LEU AAA O   1 ? 
ATOM   1232 C  CB  . LEU A 1 156 ? -19.042 -8.330  6.940   1.000 13.783 ? 157 LEU AAA CB  1 ? 
ATOM   1233 C  CG  . LEU A 1 156 ? -17.537 -8.504  6.772   1.000 12.945 ? 157 LEU AAA CG  1 ? 
ATOM   1234 C  CD1 . LEU A 1 156 ? -16.799 -7.227  7.189   1.000 13.761 ? 157 LEU AAA CD1 1 ? 
ATOM   1235 C  CD2 . LEU A 1 156 ? -17.069 -9.684  7.615   1.000 13.023 ? 157 LEU AAA CD2 1 ? 
ATOM   1236 N  N   . GLN A 1 157 ? -20.518 -7.997  3.845   1.000 15.201 ? 158 GLN AAA N   1 ? 
ATOM   1237 C  CA  . GLN A 1 157 ? -20.186 -8.556  2.507   1.000 15.388 ? 158 GLN AAA CA  1 ? 
ATOM   1238 C  C   . GLN A 1 157 ? -19.757 -7.428  1.557   1.000 14.976 ? 158 GLN AAA C   1 ? 
ATOM   1239 O  O   . GLN A 1 157 ? -18.870 -7.691  0.778   1.000 15.823 ? 158 GLN AAA O   1 ? 
ATOM   1240 C  CB  . GLN A 1 157 ? -21.335 -9.416  1.966   1.000 17.182 ? 158 GLN AAA CB  1 ? 
ATOM   1241 C  CG  . GLN A 1 157 ? -20.948 -10.204 0.719   1.000 17.830 ? 158 GLN AAA CG  1 ? 
ATOM   1242 C  CD  . GLN A 1 157 ? -19.897 -11.270 0.952   1.000 16.602 ? 158 GLN AAA CD  1 ? 
ATOM   1243 O  OE1 . GLN A 1 157 ? -19.772 -11.836 2.036   1.000 16.880 ? 158 GLN AAA OE1 1 ? 
ATOM   1244 N  NE2 . GLN A 1 157 ? -19.027 -11.478 -0.020  1.000 19.227 ? 158 GLN AAA NE2 1 ? 
ATOM   1245 N  N   . LYS A 1 158 ? -20.279 -6.205  1.688   1.000 16.013 ? 159 LYS AAA N   1 ? 
ATOM   1246 C  CA  . LYS A 1 158 ? -19.857 -5.097  0.785   1.000 17.685 ? 159 LYS AAA CA  1 ? 
ATOM   1247 C  C   . LYS A 1 158 ? -18.353 -4.824  0.979   1.000 15.879 ? 159 LYS AAA C   1 ? 
ATOM   1248 O  O   . LYS A 1 158 ? -17.670 -4.549  0.006   1.000 16.609 ? 159 LYS AAA O   1 ? 
ATOM   1249 C  CB  . LYS A 1 158 ? -20.678 -3.821  0.976   1.000 22.618 ? 159 LYS AAA CB  1 ? 
ATOM   1250 C  CG  . LYS A 1 158 ? -22.107 -3.902  0.463   1.000 28.582 ? 159 LYS AAA CG  1 ? 
ATOM   1251 C  CD  . LYS A 1 158 ? -22.710 -2.553  0.136   1.000 33.681 ? 159 LYS AAA CD  1 ? 
ATOM   1252 C  CE  . LYS A 1 158 ? -22.632 -1.550  1.266   1.000 37.926 ? 159 LYS AAA CE  1 ? 
ATOM   1253 N  NZ  . LYS A 1 158 ? -23.694 -0.512  1.158   1.000 41.023 ? 159 LYS AAA NZ  1 ? 
ATOM   1254 N  N   . VAL A 1 159 ? -17.853 -4.897  2.214   1.000 14.658 ? 160 VAL AAA N   1 ? 
ATOM   1255 C  CA  . VAL A 1 159 ? -16.388 -4.779  2.510   1.000 14.291 ? 160 VAL AAA CA  1 ? 
ATOM   1256 C  C   . VAL A 1 159 ? -15.639 -5.925  1.809   1.000 15.275 ? 160 VAL AAA C   1 ? 
ATOM   1257 O  O   . VAL A 1 159 ? -14.688 -5.677  1.039   1.000 15.477 ? 160 VAL AAA O   1 ? 
ATOM   1258 C  CB  . VAL A 1 159 ? -16.153 -4.783  4.034   1.000 14.513 ? 160 VAL AAA CB  1 ? 
ATOM   1259 C  CG1 . VAL A 1 159 ? -14.672 -4.831  4.381   1.000 14.503 ? 160 VAL AAA CG1 1 ? 
ATOM   1260 C  CG2 . VAL A 1 159 ? -16.836 -3.588  4.690   1.000 16.065 ? 160 VAL AAA CG2 1 ? 
ATOM   1261 N  N   . VAL A 1 160 ? -16.042 -7.169  2.051   1.000 14.950 ? 161 VAL AAA N   1 ? 
ATOM   1262 C  CA  . VAL A 1 160 ? -15.374 -8.377  1.493   1.000 16.375 ? 161 VAL AAA CA  1 ? 
ATOM   1263 C  C   . VAL A 1 160 ? -15.288 -8.230  -0.033  1.000 15.798 ? 161 VAL AAA C   1 ? 
ATOM   1264 O  O   . VAL A 1 160 ? -14.259 -8.570  -0.584  1.000 16.810 ? 161 VAL AAA O   1 ? 
ATOM   1265 C  CB  . VAL A 1 160 ? -16.127 -9.669  1.893   1.000 18.573 ? 161 VAL AAA CB  1 ? 
ATOM   1266 C  CG1 . VAL A 1 160 ? -15.814 -10.839 0.991   1.000 19.428 ? 161 VAL AAA CG1 1 ? 
ATOM   1267 C  CG2 . VAL A 1 160 ? -15.847 -10.027 3.329   1.000 21.146 ? 161 VAL AAA CG2 1 ? 
ATOM   1268 N  N   . ASP A 1 161 ? -16.332 -7.745  -0.689  1.000 16.707 ? 162 ASP AAA N   1 ? 
ATOM   1269 C  CA  . ASP A 1 161 ? -16.374 -7.792  -2.179  1.000 18.892 ? 162 ASP AAA CA  1 ? 
ATOM   1270 C  C   . ASP A 1 161 ? -15.526 -6.678  -2.799  1.000 19.215 ? 162 ASP AAA C   1 ? 
ATOM   1271 O  O   . ASP A 1 161 ? -15.233 -6.779  -4.010  1.000 22.367 ? 162 ASP AAA O   1 ? 
ATOM   1272 C  CB  . ASP A 1 161 ? -17.825 -7.798  -2.652  1.000 21.592 ? 162 ASP AAA CB  1 ? 
ATOM   1273 C  CG  . ASP A 1 161 ? -18.470 -9.171  -2.527  1.000 26.015 ? 162 ASP AAA CG  1 ? 
ATOM   1274 O  OD1 . ASP A 1 161 ? -17.750 -10.212 -2.717  1.000 31.306 ? 162 ASP AAA OD1 1 ? 
ATOM   1275 O  OD2 . ASP A 1 161 ? -19.684 -9.203  -2.313  1.000 32.632 ? 162 ASP AAA OD2 1 ? 
ATOM   1276 N  N   . VAL A 1 162 ? -15.063 -5.682  -2.029  1.000 15.467 ? 163 VAL AAA N   1 ? 
ATOM   1277 C  CA  . VAL A 1 162 ? -14.207 -4.607  -2.590  1.000 14.927 ? 163 VAL AAA CA  1 ? 
ATOM   1278 C  C   . VAL A 1 162 ? -12.713 -4.935  -2.379  1.000 15.257 ? 163 VAL AAA C   1 ? 
ATOM   1279 O  O   . VAL A 1 162 ? -11.881 -4.198  -2.928  1.000 15.782 ? 163 VAL AAA O   1 ? 
ATOM   1280 C  CB  . VAL A 1 162 ? -14.626 -3.250  -1.995  1.000 17.759 ? 163 VAL AAA CB  1 ? 
ATOM   1281 C  CG1 . VAL A 1 162 ? -13.976 -3.013  -0.648  1.000 17.372 ? 163 VAL AAA CG1 1 ? 
ATOM   1282 C  CG2 . VAL A 1 162 ? -14.361 -2.094  -2.942  1.000 20.718 ? 163 VAL AAA CG2 1 ? 
ATOM   1283 N  N   . LEU A 1 163 ? -12.380 -5.962  -1.587  1.000 14.944 ? 164 LEU AAA N   1 ? 
ATOM   1284 C  CA  . LEU A 1 163 ? -10.979 -6.212  -1.158  1.000 14.412 ? 164 LEU AAA CA  1 ? 
ATOM   1285 C  C   . LEU A 1 163 ? -10.133 -6.578  -2.392  1.000 15.714 ? 164 LEU AAA C   1 ? 
ATOM   1286 O  O   . LEU A 1 163 ? -9.001  -6.124  -2.432  1.000 16.552 ? 164 LEU AAA O   1 ? 
ATOM   1287 C  CB  . LEU A 1 163 ? -10.887 -7.264  -0.038  1.000 15.199 ? 164 LEU AAA CB  1 ? 
ATOM   1288 C  CG  . LEU A 1 163 ? -11.574 -6.876  1.284   1.000 15.001 ? 164 LEU AAA CG  1 ? 
ATOM   1289 C  CD1 . LEU A 1 163 ? -11.346 -7.937  2.358   1.000 14.935 ? 164 LEU AAA CD1 1 ? 
ATOM   1290 C  CD2 . LEU A 1 163 ? -11.072 -5.526  1.787   1.000 13.695 ? 164 LEU AAA CD2 1 ? 
ATOM   1291 N  N   . ASP A 1 164 ? -10.682 -7.284  -3.380  1.000 19.672 ? 165 ASP AAA N   1 ? 
ATOM   1292 C  CA  . ASP A 1 164 ? -9.932  -7.595  -4.630  1.000 22.448 ? 165 ASP AAA CA  1 ? 
ATOM   1293 C  C   . ASP A 1 164 ? -9.420  -6.300  -5.279  1.000 20.179 ? 165 ASP AAA C   1 ? 
ATOM   1294 O  O   . ASP A 1 164 ? -8.310  -6.324  -5.869  1.000 22.839 ? 165 ASP AAA O   1 ? 
ATOM   1295 C  CB  . ASP A 1 164 ? -10.806 -8.330  -5.659  1.000 24.694 ? 165 ASP AAA CB  1 ? 
ATOM   1296 C  CG  . ASP A 1 164 ? -10.811 -9.845  -5.531  1.000 31.556 ? 165 ASP AAA CG  1 ? 
ATOM   1297 O  OD1 . ASP A 1 164 ? -9.820  -10.411 -4.978  1.000 37.858 ? 165 ASP AAA OD1 1 ? 
ATOM   1298 O  OD2 . ASP A 1 164 ? -11.791 -10.465 -6.033  1.000 37.720 ? 165 ASP AAA OD2 1 ? 
ATOM   1299 N  N   . SER A 1 165 ? -10.137 -5.188  -5.150  1.000 18.646 ? 166 SER AAA N   1 ? 
ATOM   1300 C  CA  . SER A 1 165 ? -9.767  -3.906  -5.798  1.000 18.253 ? 166 SER AAA CA  1 ? 
ATOM   1301 C  C   . SER A 1 165 ? -8.689  -3.152  -4.996  1.000 15.511 ? 166 SER AAA C   1 ? 
ATOM   1302 O  O   . SER A 1 165 ? -8.128  -2.160  -5.538  1.000 16.014 ? 166 SER AAA O   1 ? 
ATOM   1303 C  CB  . SER A 1 165 ? -10.997 -3.070  -6.061  1.000 17.976 ? 166 SER AAA CB  1 ? 
ATOM   1304 O  OG  . SER A 1 165 ? -11.462 -2.431  -4.875  1.000 20.212 ? 166 SER AAA OG  1 ? 
ATOM   1305 N  N   . ILE A 1 166 ? -8.378  -3.547  -3.746  1.000 13.713 ? 167 ILE AAA N   1 ? 
ATOM   1306 C  CA  . ILE A 1 166 ? -7.347  -2.830  -2.929  1.000 12.792 ? 167 ILE AAA CA  1 ? 
ATOM   1307 C  C   . ILE A 1 166 ? -6.357  -3.883  -2.385  1.000 12.340 ? 167 ILE AAA C   1 ? 
ATOM   1308 O  O   . ILE A 1 166 ? -5.929  -3.850  -1.210  1.000 12.395 ? 167 ILE AAA O   1 ? 
ATOM   1309 C  CB  . ILE A 1 166 ? -8.008  -1.977  -1.812  1.000 12.877 ? 167 ILE AAA CB  1 ? 
ATOM   1310 C  CG1 . ILE A 1 166 ? -8.832  -2.827  -0.853  1.000 13.224 ? 167 ILE AAA CG1 1 ? 
ATOM   1311 C  CG2 . ILE A 1 166 ? -8.862  -0.894  -2.433  1.000 13.304 ? 167 ILE AAA CG2 1 ? 
ATOM   1312 C  CD1 . ILE A 1 166 ? -8.935  -2.219  0.519   1.000 12.779 ? 167 ILE AAA CD1 1 ? 
ATOM   1313 N  N   . LYS A 1 167 ? -5.934  -4.801  -3.245  1.000 13.705 ? 168 LYS AAA N   1 ? 
ATOM   1314 C  CA  . LYS A 1 167 ? -5.119  -5.947  -2.816  1.000 13.503 ? 168 LYS AAA CA  1 ? 
ATOM   1315 C  C   . LYS A 1 167 ? -3.823  -5.476  -2.162  1.000 13.585 ? 168 LYS AAA C   1 ? 
ATOM   1316 O  O   . LYS A 1 167 ? -3.341  -6.151  -1.238  1.000 12.447 ? 168 LYS AAA O   1 ? 
ATOM   1317 C  CB  . LYS A 1 167 ? -4.812  -6.853  -4.016  1.000 14.967 ? 168 LYS AAA CB  1 ? 
ATOM   1318 C  CG  . LYS A 1 167 ? -4.137  -8.152  -3.619  1.000 18.555 ? 168 LYS AAA CG  1 ? 
ATOM   1319 C  CD  . LYS A 1 167 ? -3.840  -9.061  -4.812  1.000 21.764 ? 168 LYS AAA CD  1 ? 
ATOM   1320 C  CE  . LYS A 1 167 ? -3.320  -10.410 -4.384  1.000 26.405 ? 168 LYS AAA CE  1 ? 
ATOM   1321 N  NZ  . LYS A 1 167 ? -2.891  -11.239 -5.540  1.000 29.634 ? 168 LYS AAA NZ  1 ? 
ATOM   1322 N  N   . THR A 1 168 ? -3.166  -4.471  -2.723  1.000 12.283 ? 169 THR AAA N   1 ? 
ATOM   1323 C  CA  . THR A 1 168 ? -1.789  -4.093  -2.341  1.000 12.764 ? 169 THR AAA CA  1 ? 
ATOM   1324 C  C   . THR A 1 168 ? -1.708  -2.728  -1.665  1.000 13.339 ? 169 THR AAA C   1 ? 
ATOM   1325 O  O   . THR A 1 168 ? -2.571  -1.866  -1.853  1.000 11.925 ? 169 THR AAA O   1 ? 
ATOM   1326 C  CB  . THR A 1 168 ? -0.909  -4.129  -3.596  1.000 14.831 ? 169 THR AAA CB  1 ? 
ATOM   1327 O  OG1 . THR A 1 168 ? -1.500  -3.359  -4.656  1.000 16.761 ? 169 THR AAA OG1 1 ? 
ATOM   1328 C  CG2 . THR A 1 168 ? -0.687  -5.565  -3.986  1.000 14.692 ? 169 THR AAA CG2 1 ? 
ATOM   1329 N  N   . LYS A 1 169 ? -0.647  -2.538  -0.894  1.000 13.552 ? 170 LYS AAA N   1 ? 
ATOM   1330 C  CA  A LYS A 1 169 ? -0.402  -1.306  -0.140  1.000 15.084 ? 170 LYS AAA CA  1 ? 
ATOM   1331 C  C   . LYS A 1 169 ? -0.527  -0.090  -1.046  1.000 15.141 ? 170 LYS AAA C   1 ? 
ATOM   1332 O  O   . LYS A 1 169 ? 0.127   -0.084  -2.108  1.000 16.713 ? 170 LYS AAA O   1 ? 
ATOM   1333 C  CB  A LYS A 1 169 ? 1.002   -1.307  0.451   1.000 16.801 ? 170 LYS AAA CB  1 ? 
ATOM   1334 C  CG  A LYS A 1 169 ? 1.339   -0.052  1.232   1.000 18.644 ? 170 LYS AAA CG  1 ? 
ATOM   1335 C  CD  A LYS A 1 169 ? 2.611   -0.089  2.074   1.000 22.928 ? 170 LYS AAA CD  1 ? 
ATOM   1336 C  CE  A LYS A 1 169 ? 3.458   -1.313  1.860   1.000 29.933 ? 170 LYS AAA CE  1 ? 
ATOM   1337 N  NZ  A LYS A 1 169 ? 4.137   -1.278  0.553   1.000 33.304 ? 170 LYS AAA NZ  1 ? 
ATOM   1338 N  N   . GLY A 1 170 ? -1.239  0.939   -0.584  1.000 14.944 ? 171 GLY AAA N   1 ? 
ATOM   1339 C  CA  . GLY A 1 170 ? -1.448  2.228   -1.266  1.000 15.086 ? 171 GLY AAA CA  1 ? 
ATOM   1340 C  C   . GLY A 1 170 ? -2.643  2.246   -2.205  1.000 16.103 ? 171 GLY AAA C   1 ? 
ATOM   1341 O  O   . GLY A 1 170 ? -2.965  3.318   -2.747  1.000 19.401 ? 171 GLY AAA O   1 ? 
ATOM   1342 N  N   . LYS A 1 171 ? -3.300  1.124   -2.447  1.000 14.911 ? 172 LYS AAA N   1 ? 
ATOM   1343 C  CA  . LYS A 1 171 ? -4.537  1.091   -3.274  1.000 16.141 ? 172 LYS AAA CA  1 ? 
ATOM   1344 C  C   . LYS A 1 171 ? -5.728  1.525   -2.417  1.000 15.102 ? 172 LYS AAA C   1 ? 
ATOM   1345 O  O   . LYS A 1 171 ? -5.829  1.105   -1.246  1.000 14.686 ? 172 LYS AAA O   1 ? 
ATOM   1346 C  CB  . LYS A 1 171 ? -4.776  -0.278  -3.920  1.000 18.586 ? 172 LYS AAA CB  1 ? 
ATOM   1347 C  CG  . LYS A 1 171 ? -3.678  -0.768  -4.862  1.000 21.314 ? 172 LYS AAA CG  1 ? 
ATOM   1348 C  CD  . LYS A 1 171 ? -3.736  -0.194  -6.237  1.000 26.592 ? 172 LYS AAA CD  1 ? 
ATOM   1349 C  CE  . LYS A 1 171 ? -3.160  -1.136  -7.286  1.000 28.445 ? 172 LYS AAA CE  1 ? 
ATOM   1350 N  NZ  . LYS A 1 171 ? -3.310  -0.577  -8.650  1.000 29.100 ? 172 LYS AAA NZ  1 ? 
ATOM   1351 N  N   . SER A 1 172 ? -6.586  2.359   -2.993  1.000 15.383 ? 173 SER AAA N   1 ? 
ATOM   1352 C  CA  . SER A 1 172 ? -7.883  2.788   -2.421  1.000 14.260 ? 173 SER AAA CA  1 ? 
ATOM   1353 C  C   . SER A 1 172 ? -9.016  2.624   -3.454  1.000 14.697 ? 173 SER AAA C   1 ? 
ATOM   1354 O  O   . SER A 1 172 ? -8.766  2.512   -4.679  1.000 14.752 ? 173 SER AAA O   1 ? 
ATOM   1355 C  CB  . SER A 1 172 ? -7.799  4.172   -1.871  1.000 15.226 ? 173 SER AAA CB  1 ? 
ATOM   1356 O  OG  . SER A 1 172 ? -7.682  5.149   -2.907  1.000 16.557 ? 173 SER AAA OG  1 ? 
ATOM   1357 N  N   . ALA A 1 173 ? -10.235 2.598   -2.960  1.000 13.885 ? 174 ALA AAA N   1 ? 
ATOM   1358 C  CA  . ALA A 1 173 ? -11.470 2.563   -3.776  1.000 13.979 ? 174 ALA AAA CA  1 ? 
ATOM   1359 C  C   . ALA A 1 173 ? -12.538 3.419   -3.107  1.000 13.862 ? 174 ALA AAA C   1 ? 
ATOM   1360 O  O   . ALA A 1 173 ? -12.583 3.504   -1.883  1.000 13.532 ? 174 ALA AAA O   1 ? 
ATOM   1361 C  CB  . ALA A 1 173 ? -11.888 1.145   -3.951  1.000 13.338 ? 174 ALA AAA CB  1 ? 
ATOM   1362 N  N   . ASP A 1 174 ? -13.398 4.024   -3.914  1.000 16.297 ? 175 ASP AAA N   1 ? 
ATOM   1363 C  CA  A ASP A 1 174 ? -14.610 4.715   -3.431  0.530 15.587 ? 175 ASP AAA CA  1 ? 
ATOM   1364 C  C   . ASP A 1 174 ? -15.398 3.687   -2.611  1.000 15.409 ? 175 ASP AAA C   1 ? 
ATOM   1365 O  O   . ASP A 1 174 ? -15.435 2.480   -2.968  1.000 17.467 ? 175 ASP AAA O   1 ? 
ATOM   1366 C  CB  A ASP A 1 174 ? -15.402 5.319   -4.602  0.530 17.434 ? 175 ASP AAA CB  1 ? 
ATOM   1367 C  CG  A ASP A 1 174 ? -14.574 6.184   -5.548  0.530 19.506 ? 175 ASP AAA CG  1 ? 
ATOM   1368 O  OD1 A ASP A 1 174 ? -13.788 7.058   -5.059  0.530 22.845 ? 175 ASP AAA OD1 1 ? 
ATOM   1369 O  OD2 A ASP A 1 174 ? -14.709 5.992   -6.776  0.530 23.796 ? 175 ASP AAA OD2 1 ? 
ATOM   1370 N  N   . PHE A 1 175 ? -15.929 4.104   -1.458  1.000 14.580 ? 176 PHE AAA N   1 ? 
ATOM   1371 C  CA  . PHE A 1 175 ? -16.666 3.198   -0.558  1.000 13.218 ? 176 PHE AAA CA  1 ? 
ATOM   1372 C  C   . PHE A 1 175 ? -17.738 4.022   0.133   1.000 15.135 ? 176 PHE AAA C   1 ? 
ATOM   1373 O  O   . PHE A 1 175 ? -17.710 4.267   1.341   1.000 18.265 ? 176 PHE AAA O   1 ? 
ATOM   1374 C  CB  . PHE A 1 175 ? -15.695 2.438   0.362   1.000 13.035 ? 176 PHE AAA CB  1 ? 
ATOM   1375 C  CG  . PHE A 1 175 ? -16.301 1.178   0.933   1.000 13.799 ? 176 PHE AAA CG  1 ? 
ATOM   1376 C  CD1 . PHE A 1 175 ? -16.543 0.111   0.099   1.000 13.208 ? 176 PHE AAA CD1 1 ? 
ATOM   1377 C  CD2 . PHE A 1 175 ? -16.689 1.076   2.265   1.000 13.400 ? 176 PHE AAA CD2 1 ? 
ATOM   1378 C  CE1 . PHE A 1 175 ? -17.132 -1.049  0.576   1.000 15.214 ? 176 PHE AAA CE1 1 ? 
ATOM   1379 C  CE2 . PHE A 1 175 ? -17.306 -0.073  2.736   1.000 13.705 ? 176 PHE AAA CE2 1 ? 
ATOM   1380 C  CZ  . PHE A 1 175 ? -17.511 -1.142  1.886   1.000 14.733 ? 176 PHE AAA CZ  1 ? 
ATOM   1381 N  N   . THR A 1 176 ? -18.671 4.543   -0.658  1.000 16.028 ? 177 THR AAA N   1 ? 
ATOM   1382 C  CA  . THR A 1 176 ? -19.742 5.415   -0.144  1.000 16.025 ? 177 THR AAA CA  1 ? 
ATOM   1383 C  C   . THR A 1 176 ? -20.922 4.535   0.280   1.000 14.511 ? 177 THR AAA C   1 ? 
ATOM   1384 O  O   . THR A 1 176 ? -21.047 3.381   -0.213  1.000 14.214 ? 177 THR AAA O   1 ? 
ATOM   1385 C  CB  . THR A 1 176 ? -20.079 6.500   -1.182  1.000 18.275 ? 177 THR AAA CB  1 ? 
ATOM   1386 O  OG1 . THR A 1 176 ? -20.301 5.885   -2.444  1.000 20.891 ? 177 THR AAA OG1 1 ? 
ATOM   1387 C  CG2 . THR A 1 176 ? -18.986 7.538   -1.294  1.000 19.111 ? 177 THR AAA CG2 1 ? 
ATOM   1388 N  N   . ASN A 1 177 ? -21.778 5.122   1.116   1.000 15.655 ? 178 ASN AAA N   1 ? 
ATOM   1389 C  CA  . ASN A 1 177 ? -23.107 4.615   1.524   1.000 14.922 ? 178 ASN AAA CA  1 ? 
ATOM   1390 C  C   . ASN A 1 177 ? -22.961 3.294   2.264   1.000 14.245 ? 178 ASN AAA C   1 ? 
ATOM   1391 O  O   . ASN A 1 177 ? -23.843 2.473   2.155   1.000 17.450 ? 178 ASN AAA O   1 ? 
ATOM   1392 C  CB  . ASN A 1 177 ? -24.014 4.575   0.294   1.000 16.017 ? 178 ASN AAA CB  1 ? 
ATOM   1393 C  CG  . ASN A 1 177 ? -24.229 5.969   -0.270  1.000 16.887 ? 178 ASN AAA CG  1 ? 
ATOM   1394 O  OD1 . ASN A 1 177 ? -24.881 6.792   0.379   1.000 17.844 ? 178 ASN AAA OD1 1 ? 
ATOM   1395 N  ND2 . ASN A 1 177 ? -23.593 6.258   -1.405  1.000 15.403 ? 178 ASN AAA ND2 1 ? 
ATOM   1396 N  N   . PHE A 1 178 ? -21.861 3.080   2.987   1.000 12.851 ? 179 PHE AAA N   1 ? 
ATOM   1397 C  CA  . PHE A 1 178 ? -21.699 1.853   3.804   1.000 13.040 ? 179 PHE AAA CA  1 ? 
ATOM   1398 C  C   . PHE A 1 178 ? -22.211 2.155   5.214   1.000 12.583 ? 179 PHE AAA C   1 ? 
ATOM   1399 O  O   . PHE A 1 178 ? -21.766 3.165   5.776   1.000 15.121 ? 179 PHE AAA O   1 ? 
ATOM   1400 C  CB  . PHE A 1 178 ? -20.239 1.407   3.886   1.000 12.401 ? 179 PHE AAA CB  1 ? 
ATOM   1401 C  CG  . PHE A 1 178 ? -20.110 0.144   4.700   1.000 11.818 ? 179 PHE AAA CG  1 ? 
ATOM   1402 C  CD1 . PHE A 1 178 ? -20.515 -1.089  4.191   1.000 12.354 ? 179 PHE AAA CD1 1 ? 
ATOM   1403 C  CD2 . PHE A 1 178 ? -19.716 0.214   6.027   1.000 11.515 ? 179 PHE AAA CD2 1 ? 
ATOM   1404 C  CE1 . PHE A 1 178 ? -20.470 -2.225  4.989   1.000 12.706 ? 179 PHE AAA CE1 1 ? 
ATOM   1405 C  CE2 . PHE A 1 178 ? -19.629 -0.926  6.802   1.000 11.396 ? 179 PHE AAA CE2 1 ? 
ATOM   1406 C  CZ  . PHE A 1 178 ? -19.990 -2.146  6.289   1.000 12.575 ? 179 PHE AAA CZ  1 ? 
ATOM   1407 N  N   . ASP A 1 179 ? -23.047 1.283   5.791   1.000 13.678 ? 180 ASP AAA N   1 ? 
ATOM   1408 C  CA  . ASP A 1 179 ? -23.705 1.467   7.106   1.000 13.942 ? 180 ASP AAA CA  1 ? 
ATOM   1409 C  C   . ASP A 1 179 ? -22.999 0.610   8.147   1.000 13.573 ? 180 ASP AAA C   1 ? 
ATOM   1410 O  O   . ASP A 1 179 ? -23.129 -0.593  8.153   1.000 13.645 ? 180 ASP AAA O   1 ? 
ATOM   1411 C  CB  . ASP A 1 179 ? -25.182 1.115   7.022   1.000 14.755 ? 180 ASP AAA CB  1 ? 
ATOM   1412 C  CG  . ASP A 1 179 ? -25.958 1.429   8.293   1.000 17.213 ? 180 ASP AAA CG  1 ? 
ATOM   1413 O  OD1 . ASP A 1 179 ? -25.343 1.801   9.321   1.000 17.138 ? 180 ASP AAA OD1 1 ? 
ATOM   1414 O  OD2 . ASP A 1 179 ? -27.194 1.325   8.220   1.000 22.186 ? 180 ASP AAA OD2 1 ? 
ATOM   1415 N  N   . PRO A 1 180 ? -22.192 1.202   9.041   1.000 13.748 ? 181 PRO AAA N   1 ? 
ATOM   1416 C  CA  . PRO A 1 180 ? -21.425 0.417   10.017  1.000 13.413 ? 181 PRO AAA CA  1 ? 
ATOM   1417 C  C   . PRO A 1 180 ? -22.303 -0.257  11.078  1.000 14.193 ? 181 PRO AAA C   1 ? 
ATOM   1418 O  O   . PRO A 1 180 ? -21.859 -1.148  11.759  1.000 11.621 ? 181 PRO AAA O   1 ? 
ATOM   1419 C  CB  . PRO A 1 180 ? -20.463 1.442   10.635  1.000 14.098 ? 181 PRO AAA CB  1 ? 
ATOM   1420 C  CG  . PRO A 1 180 ? -21.073 2.794   10.390  1.000 13.998 ? 181 PRO AAA CG  1 ? 
ATOM   1421 C  CD  . PRO A 1 180 ? -21.926 2.633   9.152   1.000 14.057 ? 181 PRO AAA CD  1 ? 
ATOM   1422 N  N   . ARG A 1 181 ? -23.565 0.166   11.194  1.000 12.909 ? 182 ARG AAA N   1 ? 
ATOM   1423 C  CA  . ARG A 1 181 ? -24.487 -0.525  12.130  1.000 13.572 ? 182 ARG AAA CA  1 ? 
ATOM   1424 C  C   . ARG A 1 181 ? -24.583 -2.003  11.737  1.000 12.430 ? 182 ARG AAA C   1 ? 
ATOM   1425 O  O   . ARG A 1 181 ? -24.934 -2.786  12.611  1.000 13.815 ? 182 ARG AAA O   1 ? 
ATOM   1426 C  CB  . ARG A 1 181 ? -25.869 0.117   12.106  1.000 14.259 ? 182 ARG AAA CB  1 ? 
ATOM   1427 C  CG  . ARG A 1 181 ? -25.841 1.588   12.482  1.000 16.158 ? 182 ARG AAA CG  1 ? 
ATOM   1428 C  CD  . ARG A 1 181 ? -27.207 2.218   12.448  1.000 18.237 ? 182 ARG AAA CD  1 ? 
ATOM   1429 N  NE  . ARG A 1 181 ? -27.614 2.343   11.075  1.000 20.052 ? 182 ARG AAA NE  1 ? 
ATOM   1430 C  CZ  . ARG A 1 181 ? -28.669 3.016   10.680  1.000 24.768 ? 182 ARG AAA CZ  1 ? 
ATOM   1431 N  NH1 . ARG A 1 181 ? -29.412 3.637   11.574  1.000 24.983 ? 182 ARG AAA NH1 1 ? 
ATOM   1432 N  NH2 . ARG A 1 181 ? -28.974 3.072   9.402   1.000 27.131 ? 182 ARG AAA NH2 1 ? 
ATOM   1433 N  N   . GLY A 1 182 ? -24.348 -2.379  10.473  1.000 12.288 ? 183 GLY AAA N   1 ? 
ATOM   1434 C  CA  . GLY A 1 182 ? -24.372 -3.763  10.017  1.000 11.939 ? 183 GLY AAA CA  1 ? 
ATOM   1435 C  C   . GLY A 1 182 ? -23.270 -4.618  10.614  1.000 12.441 ? 183 GLY AAA C   1 ? 
ATOM   1436 O  O   . GLY A 1 182 ? -23.313 -5.842  10.378  1.000 15.026 ? 183 GLY AAA O   1 ? 
ATOM   1437 N  N   . LEU A 1 183 ? -22.310 -4.008  11.326  1.000 12.072 ? 184 LEU AAA N   1 ? 
ATOM   1438 C  CA  . LEU A 1 183 ? -21.171 -4.764  11.900  1.000 12.812 ? 184 LEU AAA CA  1 ? 
ATOM   1439 C  C   . LEU A 1 183 ? -21.347 -5.031  13.387  1.000 14.036 ? 184 LEU AAA C   1 ? 
ATOM   1440 O  O   . LEU A 1 183 ? -20.467 -5.696  13.983  1.000 13.048 ? 184 LEU AAA O   1 ? 
ATOM   1441 C  CB  . LEU A 1 183 ? -19.872 -4.008  11.605  1.000 13.218 ? 184 LEU AAA CB  1 ? 
ATOM   1442 C  CG  . LEU A 1 183 ? -19.572 -3.887  10.123  1.000 13.711 ? 184 LEU AAA CG  1 ? 
ATOM   1443 C  CD1 . LEU A 1 183 ? -18.279 -3.095  9.937   1.000 14.973 ? 184 LEU AAA CD1 1 ? 
ATOM   1444 C  CD2 . LEU A 1 183 ? -19.491 -5.252  9.454   1.000 14.547 ? 184 LEU AAA CD2 1 ? 
ATOM   1445 N  N   . LEU A 1 184 ? -22.383 -4.479  14.015  1.000 13.099 ? 185 LEU AAA N   1 ? 
ATOM   1446 C  CA  . LEU A 1 184 ? -22.552 -4.576  15.488  1.000 13.528 ? 185 LEU AAA CA  1 ? 
ATOM   1447 C  C   . LEU A 1 184 ? -23.229 -5.892  15.858  1.000 13.220 ? 185 LEU AAA C   1 ? 
ATOM   1448 O  O   . LEU A 1 184 ? -24.002 -6.467  15.097  1.000 16.879 ? 185 LEU AAA O   1 ? 
ATOM   1449 C  CB  . LEU A 1 184 ? -23.373 -3.397  15.997  1.000 13.009 ? 185 LEU AAA CB  1 ? 
ATOM   1450 C  CG  . LEU A 1 184 ? -22.824 -2.018  15.663  1.000 14.631 ? 185 LEU AAA CG  1 ? 
ATOM   1451 C  CD1 . LEU A 1 184 ? -23.754 -0.908  16.142  1.000 14.702 ? 185 LEU AAA CD1 1 ? 
ATOM   1452 C  CD2 . LEU A 1 184 ? -21.454 -1.850  16.292  1.000 15.707 ? 185 LEU AAA CD2 1 ? 
ATOM   1453 N  N   . PRO A 1 185 ? -22.949 -6.425  17.057  1.000 13.467 ? 186 PRO AAA N   1 ? 
ATOM   1454 C  CA  . PRO A 1 185 ? -23.764 -7.471  17.653  1.000 12.356 ? 186 PRO AAA CA  1 ? 
ATOM   1455 C  C   . PRO A 1 185 ? -25.069 -6.932  18.259  1.000 14.758 ? 186 PRO AAA C   1 ? 
ATOM   1456 O  O   . PRO A 1 185 ? -25.273 -5.737  18.319  1.000 17.146 ? 186 PRO AAA O   1 ? 
ATOM   1457 C  CB  . PRO A 1 185 ? -22.798 -8.023  18.706  1.000 11.984 ? 186 PRO AAA CB  1 ? 
ATOM   1458 C  CG  . PRO A 1 185 ? -22.055 -6.832  19.173  1.000 12.078 ? 186 PRO AAA CG  1 ? 
ATOM   1459 C  CD  . PRO A 1 185 ? -21.803 -6.054  17.893  1.000 11.259 ? 186 PRO AAA CD  1 ? 
ATOM   1460 N  N   . GLU A 1 186 ? -25.910 -7.840  18.735  1.000 15.654 ? 187 GLU AAA N   1 ? 
ATOM   1461 C  CA  A GLU A 1 186 ? -27.216 -7.468  19.335  0.500 14.842 ? 187 GLU AAA CA  1 ? 
ATOM   1462 C  CA  B GLU A 1 186 ? -27.221 -7.496  19.344  0.500 15.077 ? 187 GLU AAA CA  1 ? 
ATOM   1463 C  C   . GLU A 1 186 ? -26.980 -6.669  20.615  1.000 13.643 ? 187 GLU AAA C   1 ? 
ATOM   1464 O  O   . GLU A 1 186 ? -27.553 -5.605  20.730  1.000 14.335 ? 187 GLU AAA O   1 ? 
ATOM   1465 C  CB  A GLU A 1 186 ? -28.058 -8.698  19.664  0.500 16.304 ? 187 GLU AAA CB  1 ? 
ATOM   1466 C  CB  B GLU A 1 186 ? -28.004 -8.788  19.610  0.500 16.836 ? 187 GLU AAA CB  1 ? 
ATOM   1467 C  CG  A GLU A 1 186 ? -28.591 -9.402  18.442  0.500 17.501 ? 187 GLU AAA CG  1 ? 
ATOM   1468 C  CG  B GLU A 1 186 ? -29.232 -8.618  20.480  0.500 18.748 ? 187 GLU AAA CG  1 ? 
ATOM   1469 C  CD  A GLU A 1 186 ? -29.595 -10.478 18.821  0.500 18.807 ? 187 GLU AAA CD  1 ? 
ATOM   1470 C  CD  B GLU A 1 186 ? -29.815 -9.925  20.995  0.500 18.177 ? 187 GLU AAA CD  1 ? 
ATOM   1471 O  OE1 A GLU A 1 186 ? -29.905 -10.573 20.021  0.500 20.727 ? 187 GLU AAA OE1 1 ? 
ATOM   1472 O  OE1 B GLU A 1 186 ? -29.650 -10.944 20.310  0.500 21.664 ? 187 GLU AAA OE1 1 ? 
ATOM   1473 O  OE2 A GLU A 1 186 ? -30.054 -11.213 17.927  0.500 19.705 ? 187 GLU AAA OE2 1 ? 
ATOM   1474 O  OE2 B GLU A 1 186 ? -30.432 -9.913  22.077  0.500 22.473 ? 187 GLU AAA OE2 1 ? 
ATOM   1475 N  N   . SER A 1 187 ? -26.135 -7.183  21.510  1.000 13.034 ? 188 SER AAA N   1 ? 
ATOM   1476 C  CA  . SER A 1 187 ? -25.824 -6.604  22.841  1.000 14.211 ? 188 SER AAA CA  1 ? 
ATOM   1477 C  C   . SER A 1 187 ? -24.682 -5.597  22.752  1.000 13.843 ? 188 SER AAA C   1 ? 
ATOM   1478 O  O   . SER A 1 187 ? -23.655 -5.917  22.090  1.000 15.766 ? 188 SER AAA O   1 ? 
ATOM   1479 C  CB  . SER A 1 187 ? -25.447 -7.697  23.807  1.000 14.592 ? 188 SER AAA CB  1 ? 
ATOM   1480 O  OG  . SER A 1 187 ? -25.259 -7.169  25.102  1.000 16.380 ? 188 SER AAA OG  1 ? 
ATOM   1481 N  N   . LEU A 1 188 ? -24.805 -4.499  23.493  1.000 14.677 ? 189 LEU AAA N   1 ? 
ATOM   1482 C  CA  . LEU A 1 188 ? -23.731 -3.491  23.702  1.000 13.958 ? 189 LEU AAA CA  1 ? 
ATOM   1483 C  C   . LEU A 1 188 ? -23.051 -3.674  25.072  1.000 13.259 ? 189 LEU AAA C   1 ? 
ATOM   1484 O  O   . LEU A 1 188 ? -22.391 -2.724  25.514  1.000 14.290 ? 189 LEU AAA O   1 ? 
ATOM   1485 C  CB  . LEU A 1 188 ? -24.307 -2.082  23.534  1.000 16.503 ? 189 LEU AAA CB  1 ? 
ATOM   1486 C  CG  . LEU A 1 188 ? -24.816 -1.648  22.156  1.000 17.909 ? 189 LEU AAA CG  1 ? 
ATOM   1487 C  CD1 . LEU A 1 188 ? -25.196 -0.166  22.178  1.000 19.317 ? 189 LEU AAA CD1 1 ? 
ATOM   1488 C  CD2 . LEU A 1 188 ? -23.809 -1.943  21.039  1.000 17.494 ? 189 LEU AAA CD2 1 ? 
ATOM   1489 N  N   . ASP A 1 189 ? -23.223 -4.796  25.769  1.000 13.251 ? 190 ASP AAA N   1 ? 
ATOM   1490 C  CA  . ASP A 1 189 ? -22.468 -5.070  27.022  1.000 14.223 ? 190 ASP AAA CA  1 ? 
ATOM   1491 C  C   . ASP A 1 189 ? -20.984 -4.978  26.680  1.000 13.554 ? 190 ASP AAA C   1 ? 
ATOM   1492 O  O   . ASP A 1 189 ? -20.584 -5.478  25.602  1.000 11.761 ? 190 ASP AAA O   1 ? 
ATOM   1493 C  CB  . ASP A 1 189 ? -22.832 -6.412  27.674  1.000 16.186 ? 190 ASP AAA CB  1 ? 
ATOM   1494 C  CG  . ASP A 1 189 ? -24.254 -6.530  28.231  1.000 19.285 ? 190 ASP AAA CG  1 ? 
ATOM   1495 O  OD1 . ASP A 1 189 ? -24.911 -5.501  28.417  1.000 23.355 ? 190 ASP AAA OD1 1 ? 
ATOM   1496 O  OD2 . ASP A 1 189 ? -24.669 -7.656  28.492  1.000 23.674 ? 190 ASP AAA OD2 1 ? 
ATOM   1497 N  N   . TYR A 1 190 ? -20.195 -4.354  27.566  1.000 10.132 ? 191 TYR AAA N   1 ? 
ATOM   1498 C  CA  . TYR A 1 190 ? -18.764 -4.168  27.279  1.000 10.910 ? 191 TYR AAA CA  1 ? 
ATOM   1499 C  C   . TYR A 1 190 ? -17.887 -4.216  28.508  1.000 10.584 ? 191 TYR AAA C   1 ? 
ATOM   1500 O  O   . TYR A 1 190 ? -18.334 -4.094  29.670  1.000 10.291 ? 191 TYR AAA O   1 ? 
ATOM   1501 C  CB  . TYR A 1 190 ? -18.628 -2.828  26.571  1.000 10.884 ? 191 TYR AAA CB  1 ? 
ATOM   1502 C  CG  . TYR A 1 190 ? -19.019 -1.646  27.406  1.000 10.419 ? 191 TYR AAA CG  1 ? 
ATOM   1503 C  CD1 . TYR A 1 190 ? -18.094 -1.047  28.252  1.000 11.603 ? 191 TYR AAA CD1 1 ? 
ATOM   1504 C  CD2 . TYR A 1 190 ? -20.309 -1.143  27.413  1.000 11.151 ? 191 TYR AAA CD2 1 ? 
ATOM   1505 C  CE1 . TYR A 1 190 ? -18.416 0.031   29.061  1.000 11.937 ? 191 TYR AAA CE1 1 ? 
ATOM   1506 C  CE2 . TYR A 1 190 ? -20.617 -0.017  28.160  1.000 10.372 ? 191 TYR AAA CE2 1 ? 
ATOM   1507 C  CZ  . TYR A 1 190 ? -19.693 0.554   29.013  1.000 10.660 ? 191 TYR AAA CZ  1 ? 
ATOM   1508 O  OH  . TYR A 1 190 ? -20.118 1.612   29.787  1.000 12.703 ? 191 TYR AAA OH  1 ? 
ATOM   1509 N  N   . TRP A 1 191 ? -16.606 -4.285  28.178  1.000 9.709  ? 192 TRP AAA N   1 ? 
ATOM   1510 C  CA  . TRP A 1 191 ? -15.502 -4.078  29.143  1.000 9.694  ? 192 TRP AAA CA  1 ? 
ATOM   1511 C  C   . TRP A 1 191 ? -14.797 -2.794  28.736  1.000 9.842  ? 192 TRP AAA C   1 ? 
ATOM   1512 O  O   . TRP A 1 191 ? -14.785 -2.477  27.564  1.000 11.412 ? 192 TRP AAA O   1 ? 
ATOM   1513 C  CB  . TRP A 1 191 ? -14.508 -5.211  29.174  1.000 9.409  ? 192 TRP AAA CB  1 ? 
ATOM   1514 C  CG  . TRP A 1 191 ? -15.026 -6.530  29.630  1.000 9.488  ? 192 TRP AAA CG  1 ? 
ATOM   1515 C  CD1 . TRP A 1 191 ? -15.285 -6.923  30.913  1.000 10.546 ? 192 TRP AAA CD1 1 ? 
ATOM   1516 C  CD2 . TRP A 1 191 ? -15.290 -7.667  28.788  1.000 10.146 ? 192 TRP AAA CD2 1 ? 
ATOM   1517 N  NE1 . TRP A 1 191 ? -15.667 -8.237  30.912  1.000 11.230 ? 192 TRP AAA NE1 1 ? 
ATOM   1518 C  CE2 . TRP A 1 191 ? -15.705 -8.713  29.621  1.000 10.306 ? 192 TRP AAA CE2 1 ? 
ATOM   1519 C  CE3 . TRP A 1 191 ? -15.213 -7.895  27.402  1.000 10.929 ? 192 TRP AAA CE3 1 ? 
ATOM   1520 C  CZ2 . TRP A 1 191 ? -16.035 -9.976  29.105  1.000 11.029 ? 192 TRP AAA CZ2 1 ? 
ATOM   1521 C  CZ3 . TRP A 1 191 ? -15.546 -9.137  26.902  1.000 11.043 ? 192 TRP AAA CZ3 1 ? 
ATOM   1522 C  CH2 . TRP A 1 191 ? -15.959 -10.155 27.757  1.000 11.670 ? 192 TRP AAA CH2 1 ? 
ATOM   1523 N  N   . THR A 1 192 ? -14.278 -2.050  29.707  1.000 9.043  ? 193 THR AAA N   1 ? 
ATOM   1524 C  CA  . THR A 1 192 ? -13.582 -0.779  29.406  1.000 9.198  ? 193 THR AAA CA  1 ? 
ATOM   1525 C  C   . THR A 1 192 ? -12.345 -0.643  30.261  1.000 8.443  ? 193 THR AAA C   1 ? 
ATOM   1526 O  O   . THR A 1 192 ? -12.337 -1.034  31.418  1.000 10.183 ? 193 THR AAA O   1 ? 
ATOM   1527 C  CB  . THR A 1 192 ? -14.482 0.446   29.489  1.000 9.190  ? 193 THR AAA CB  1 ? 
ATOM   1528 O  OG1 . THR A 1 192 ? -13.773 1.586   29.001  1.000 10.291 ? 193 THR AAA OG1 1 ? 
ATOM   1529 C  CG2 . THR A 1 192 ? -14.996 0.746   30.888  1.000 10.346 ? 193 THR AAA CG2 1 ? 
ATOM   1530 N  N   . TYR A 1 193 ? -11.297 -0.127  29.656  1.000 9.174  ? 194 TYR AAA N   1 ? 
ATOM   1531 C  CA  . TYR A 1 193 ? -10.052 0.216   30.369  1.000 8.861  ? 194 TYR AAA CA  1 ? 
ATOM   1532 C  C   . TYR A 1 193 ? -9.286  1.257   29.576  1.000 8.566  ? 194 TYR AAA C   1 ? 
ATOM   1533 O  O   . TYR A 1 193 ? -9.534  1.436   28.398  1.000 9.406  ? 194 TYR AAA O   1 ? 
ATOM   1534 C  CB  . TYR A 1 193 ? -9.217  -1.059  30.562  1.000 8.812  ? 194 TYR AAA CB  1 ? 
ATOM   1535 C  CG  . TYR A 1 193 ? -8.547  -1.511  29.298  1.000 8.297  ? 194 TYR AAA CG  1 ? 
ATOM   1536 C  CD1 . TYR A 1 193 ? -9.199  -2.213  28.296  1.000 8.426  ? 194 TYR AAA CD1 1 ? 
ATOM   1537 C  CD2 . TYR A 1 193 ? -7.223  -1.178  29.100  1.000 8.760  ? 194 TYR AAA CD2 1 ? 
ATOM   1538 C  CE1 . TYR A 1 193 ? -8.510  -2.602  27.159  1.000 8.069  ? 194 TYR AAA CE1 1 ? 
ATOM   1539 C  CE2 . TYR A 1 193 ? -6.552  -1.501  27.939  1.000 8.986  ? 194 TYR AAA CE2 1 ? 
ATOM   1540 C  CZ  . TYR A 1 193 ? -7.204  -2.196  26.951  1.000 8.395  ? 194 TYR AAA CZ  1 ? 
ATOM   1541 O  OH  . TYR A 1 193 ? -6.561  -2.517  25.774  1.000 9.064  ? 194 TYR AAA OH  1 ? 
ATOM   1542 N  N   . PRO A 1 194 ? -8.364  1.999   30.230  1.000 7.698  ? 195 PRO AAA N   1 ? 
ATOM   1543 C  CA  . PRO A 1 194 ? -7.541  2.994   29.568  1.000 7.774  ? 195 PRO AAA CA  1 ? 
ATOM   1544 C  C   . PRO A 1 194 ? -6.338  2.318   28.904  1.000 7.490  ? 195 PRO AAA C   1 ? 
ATOM   1545 O  O   . PRO A 1 194 ? -5.613  1.557   29.596  1.000 8.461  ? 195 PRO AAA O   1 ? 
ATOM   1546 C  CB  . PRO A 1 194 ? -7.018  3.888   30.695  1.000 8.075  ? 195 PRO AAA CB  1 ? 
ATOM   1547 C  CG  . PRO A 1 194 ? -7.128  3.042   31.962  1.000 8.724  ? 195 PRO AAA CG  1 ? 
ATOM   1548 C  CD  . PRO A 1 194 ? -8.187  1.998   31.696  1.000 8.636  ? 195 PRO AAA CD  1 ? 
ATOM   1549 N  N   . GLY A 1 195 ? -6.064  2.621   27.649  1.000 7.059  ? 196 GLY AAA N   1 ? 
ATOM   1550 C  CA  . GLY A 1 195 ? -4.930  1.994   26.966  1.000 7.105  ? 196 GLY AAA CA  1 ? 
ATOM   1551 C  C   . GLY A 1 195 ? -4.433  2.830   25.836  1.000 7.420  ? 196 GLY AAA C   1 ? 
ATOM   1552 O  O   . GLY A 1 195 ? -4.319  4.061   25.979  1.000 7.961  ? 196 GLY AAA O   1 ? 
ATOM   1553 N  N   . SER A 1 196 ? -4.006  2.165   24.788  1.000 7.467  ? 197 SER AAA N   1 ? 
ATOM   1554 C  CA  . SER A 1 196 ? -3.156  2.804   23.771  1.000 8.111  ? 197 SER AAA CA  1 ? 
ATOM   1555 C  C   . SER A 1 196 ? -3.642  2.444   22.363  1.000 7.459  ? 197 SER AAA C   1 ? 
ATOM   1556 O  O   . SER A 1 196 ? -4.361  1.451   22.191  1.000 8.385  ? 197 SER AAA O   1 ? 
ATOM   1557 C  CB  . SER A 1 196 ? -1.677  2.388   23.968  1.000 8.778  ? 197 SER AAA CB  1 ? 
ATOM   1558 O  OG  . SER A 1 196 ? -1.426  1.061   23.504  1.000 9.066  ? 197 SER AAA OG  1 ? 
ATOM   1559 N  N   . LEU A 1 197 ? -3.009  3.060   21.365  1.000 7.865  ? 198 LEU AAA N   1 ? 
ATOM   1560 C  CA  . LEU A 1 197 ? -3.044  2.531   19.993  1.000 8.085  ? 198 LEU AAA CA  1 ? 
ATOM   1561 C  C   . LEU A 1 197 ? -2.310  1.191   20.019  1.000 8.315  ? 198 LEU AAA C   1 ? 
ATOM   1562 O  O   . LEU A 1 197 ? -1.279  1.057   20.756  1.000 7.991  ? 198 LEU AAA O   1 ? 
ATOM   1563 C  CB  . LEU A 1 197 ? -2.302  3.457   19.029  1.000 9.033  ? 198 LEU AAA CB  1 ? 
ATOM   1564 C  CG  . LEU A 1 197 ? -2.777  4.903   18.948  1.000 9.813  ? 198 LEU AAA CG  1 ? 
ATOM   1565 C  CD1 . LEU A 1 197 ? -1.948  5.705   17.930  1.000 10.565 ? 198 LEU AAA CD1 1 ? 
ATOM   1566 C  CD2 . LEU A 1 197 ? -4.259  5.006   18.610  1.000 9.827  ? 198 LEU AAA CD2 1 ? 
ATOM   1567 N  N   . THR A 1 198 ? -2.761  0.247   19.214  1.000 8.198  ? 199 THR AAA N   1 ? 
ATOM   1568 C  CA  . THR A 1 198 ? -2.086  -1.094  19.191  1.000 7.999  ? 199 THR AAA CA  1 ? 
ATOM   1569 C  C   . THR A 1 198 ? -1.049  -1.195  18.072  1.000 8.760  ? 199 THR AAA C   1 ? 
ATOM   1570 O  O   . THR A 1 198 ? -0.423  -2.263  17.951  1.000 9.092  ? 199 THR AAA O   1 ? 
ATOM   1571 C  CB  . THR A 1 198 ? -3.105  -2.234  19.072  1.000 7.851  ? 199 THR AAA CB  1 ? 
ATOM   1572 O  OG1 . THR A 1 198 ? -3.658  -2.193  17.755  1.000 7.663  ? 199 THR AAA OG1 1 ? 
ATOM   1573 C  CG2 . THR A 1 198 ? -4.171  -2.166  20.141  1.000 7.446  ? 199 THR AAA CG2 1 ? 
ATOM   1574 N  N   . THR A 1 199 ? -0.855  -0.143  17.291  1.000 9.652  ? 200 THR AAA N   1 ? 
ATOM   1575 C  CA  . THR A 1 199 ? 0.226   -0.061  16.293  1.000 9.875  ? 200 THR AAA CA  1 ? 
ATOM   1576 C  C   . THR A 1 199 ? 1.048   1.161   16.625  1.000 9.067  ? 200 THR AAA C   1 ? 
ATOM   1577 O  O   . THR A 1 199 ? 0.548   2.138   17.215  1.000 9.596  ? 200 THR AAA O   1 ? 
ATOM   1578 C  CB  . THR A 1 199 ? -0.327  0.008   14.866  1.000 10.412 ? 200 THR AAA CB  1 ? 
ATOM   1579 O  OG1 . THR A 1 199 ? -1.000  1.261   14.750  1.000 12.997 ? 200 THR AAA OG1 1 ? 
ATOM   1580 C  CG2 . THR A 1 199 ? -1.204  -1.168  14.514  1.000 11.658 ? 200 THR AAA CG2 1 ? 
ATOM   1581 N  N   . PRO A 1 200 ? 2.314   1.205   16.179  1.000 9.941  ? 201 PRO AAA N   1 ? 
ATOM   1582 C  CA  . PRO A 1 200 ? 3.027   2.458   16.258  1.000 10.109 ? 201 PRO AAA CA  1 ? 
ATOM   1583 C  C   . PRO A 1 200 ? 2.178   3.585   15.704  1.000 10.126 ? 201 PRO AAA C   1 ? 
ATOM   1584 O  O   . PRO A 1 200 ? 1.527   3.447   14.672  1.000 13.272 ? 201 PRO AAA O   1 ? 
ATOM   1585 C  CB  . PRO A 1 200 ? 4.258   2.215   15.383  1.000 10.212 ? 201 PRO AAA CB  1 ? 
ATOM   1586 C  CG  . PRO A 1 200 ? 4.491   0.748   15.573  1.000 10.156 ? 201 PRO AAA CG  1 ? 
ATOM   1587 C  CD  . PRO A 1 200 ? 3.104   0.126   15.557  1.000 9.523  ? 201 PRO AAA CD  1 ? 
ATOM   1588 N  N   . PRO A 1 201 ? 2.210   4.772   16.318  1.000 10.601 ? 202 PRO AAA N   1 ? 
ATOM   1589 C  CA  . PRO A 1 201 ? 3.153   5.125   17.394  1.000 9.874  ? 202 PRO AAA CA  1 ? 
ATOM   1590 C  C   . PRO A 1 201 ? 2.797   4.725   18.840  1.000 9.740  ? 202 PRO AAA C   1 ? 
ATOM   1591 O  O   . PRO A 1 201 ? 3.442   5.234   19.796  1.000 10.952 ? 202 PRO AAA O   1 ? 
ATOM   1592 C  CB  . PRO A 1 201 ? 3.186   6.661   17.278  1.000 10.515 ? 202 PRO AAA CB  1 ? 
ATOM   1593 C  CG  . PRO A 1 201 ? 1.795   7.032   16.817  1.000 10.883 ? 202 PRO AAA CG  1 ? 
ATOM   1594 C  CD  . PRO A 1 201 ? 1.443   5.935   15.827  1.000 10.394 ? 202 PRO AAA CD  1 ? 
ATOM   1595 N  N   . LEU A 1 202 ? 1.765   3.899   19.022  1.000 9.011  ? 203 LEU AAA N   1 ? 
ATOM   1596 C  CA  A LEU A 1 202 ? 1.468   3.248   20.326  0.750 8.171  ? 203 LEU AAA CA  1 ? 
ATOM   1597 C  C   . LEU A 1 202 ? 1.080   4.292   21.378  1.000 8.319  ? 203 LEU AAA C   1 ? 
ATOM   1598 O  O   . LEU A 1 202 ? 1.279   4.053   22.561  1.000 9.835  ? 203 LEU AAA O   1 ? 
ATOM   1599 C  CB  A LEU A 1 202 ? 2.647   2.382   20.766  0.750 8.000  ? 203 LEU AAA CB  1 ? 
ATOM   1600 C  CG  A LEU A 1 202 ? 2.928   1.244   19.797  0.750 7.661  ? 203 LEU AAA CG  1 ? 
ATOM   1601 C  CD1 A LEU A 1 202 ? 4.284   0.638   20.102  0.750 7.994  ? 203 LEU AAA CD1 1 ? 
ATOM   1602 C  CD2 A LEU A 1 202 ? 1.842   0.177   19.826  0.750 7.380  ? 203 LEU AAA CD2 1 ? 
ATOM   1603 N  N   . LEU A 1 203 ? 0.490   5.413   20.968  1.000 8.947  ? 204 LEU AAA N   1 ? 
ATOM   1604 C  CA  . LEU A 1 203 ? 0.226   6.528   21.907  1.000 9.497  ? 204 LEU AAA CA  1 ? 
ATOM   1605 C  C   . LEU A 1 203 ? -0.816  6.120   22.944  1.000 9.047  ? 204 LEU AAA C   1 ? 
ATOM   1606 O  O   . LEU A 1 203 ? -1.825  5.439   22.581  1.000 9.323  ? 204 LEU AAA O   1 ? 
ATOM   1607 C  CB  . LEU A 1 203 ? -0.259  7.723   21.098  1.000 10.165 ? 204 LEU AAA CB  1 ? 
ATOM   1608 C  CG  . LEU A 1 203 ? 0.800   8.274   20.149  1.000 12.285 ? 204 LEU AAA CG  1 ? 
ATOM   1609 C  CD1 . LEU A 1 203 ? 0.235   9.253   19.137  1.000 12.802 ? 204 LEU AAA CD1 1 ? 
ATOM   1610 C  CD2 . LEU A 1 203 ? 1.965   8.879   20.922  1.000 13.016 ? 204 LEU AAA CD2 1 ? 
ATOM   1611 N  N   . GLU A 1 204 ? -0.658  6.595   24.167  1.000 10.138 ? 205 GLU AAA N   1 ? 
ATOM   1612 C  CA  . GLU A 1 204 ? -1.505  6.207   25.313  1.000 10.139 ? 205 GLU AAA CA  1 ? 
ATOM   1613 C  C   . GLU A 1 204 ? -2.678  7.185   25.409  1.000 10.420 ? 205 GLU AAA C   1 ? 
ATOM   1614 O  O   . GLU A 1 204 ? -2.773  7.927   26.394  1.000 13.718 ? 205 GLU AAA O   1 ? 
ATOM   1615 C  CB  . GLU A 1 204 ? -0.626  6.070   26.560  1.000 10.922 ? 205 GLU AAA CB  1 ? 
ATOM   1616 C  CG  . GLU A 1 204 ? 0.336   4.922   26.406  1.000 11.144 ? 205 GLU AAA CG  1 ? 
ATOM   1617 C  CD  . GLU A 1 204 ? 1.223   4.576   27.588  1.000 11.428 ? 205 GLU AAA CD  1 ? 
ATOM   1618 O  OE1 . GLU A 1 204 ? 1.562   5.507   28.403  1.000 15.257 ? 205 GLU AAA OE1 1 ? 
ATOM   1619 O  OE2 . GLU A 1 204 ? 1.584   3.377   27.727  1.000 11.498 ? 205 GLU AAA OE2 1 ? 
ATOM   1620 N  N   . CYS A 1 205 ? -3.587  7.125   24.439  1.000 9.932  ? 206 CYS AAA N   1 ? 
ATOM   1621 C  CA  . CYS A 1 205 ? -4.640  8.147   24.203  1.000 9.999  ? 206 CYS AAA CA  1 ? 
ATOM   1622 C  C   . CYS A 1 205 ? -6.029  7.504   24.094  1.000 9.918  ? 206 CYS AAA C   1 ? 
ATOM   1623 O  O   . CYS A 1 205 ? -6.954  8.219   23.716  1.000 9.983  ? 206 CYS AAA O   1 ? 
ATOM   1624 C  CB  . CYS A 1 205 ? -4.396  8.959   22.933  1.000 10.292 ? 206 CYS AAA CB  1 ? 
ATOM   1625 S  SG  . CYS A 1 205 ? -4.285  7.975   21.425  1.000 11.633 ? 206 CYS AAA SG  1 ? 
ATOM   1626 N  N   . VAL A 1 206 ? -6.145  6.204   24.375  1.000 8.635  ? 207 VAL AAA N   1 ? 
ATOM   1627 C  CA  . VAL A 1 206 ? -7.392  5.475   24.017  1.000 8.540  ? 207 VAL AAA CA  1 ? 
ATOM   1628 C  C   . VAL A 1 206 ? -8.179  5.044   25.250  1.000 7.953  ? 207 VAL AAA C   1 ? 
ATOM   1629 O  O   . VAL A 1 206 ? -7.602  4.408   26.163  1.000 7.766  ? 207 VAL AAA O   1 ? 
ATOM   1630 C  CB  . VAL A 1 206 ? -7.105  4.249   23.128  1.000 8.263  ? 207 VAL AAA CB  1 ? 
ATOM   1631 C  CG1 . VAL A 1 206 ? -8.382  3.529   22.779  1.000 9.292  ? 207 VAL AAA CG1 1 ? 
ATOM   1632 C  CG2 . VAL A 1 206 ? -6.299  4.617   21.879  1.000 8.919  ? 207 VAL AAA CG2 1 ? 
ATOM   1633 N  N   . THR A 1 207 ? -9.478  5.340   25.274  1.000 8.205  ? 208 THR AAA N   1 ? 
ATOM   1634 C  CA  . THR A 1 207 ? -10.438 4.636   26.140  1.000 8.619  ? 208 THR AAA CA  1 ? 
ATOM   1635 C  C   . THR A 1 207 ? -10.905 3.449   25.326  1.000 7.951  ? 208 THR AAA C   1 ? 
ATOM   1636 O  O   . THR A 1 207 ? -11.584 3.649   24.304  1.000 8.482  ? 208 THR AAA O   1 ? 
ATOM   1637 C  CB  . THR A 1 207 ? -11.624 5.503   26.569  1.000 9.319  ? 208 THR AAA CB  1 ? 
ATOM   1638 O  OG1 . THR A 1 207 ? -11.088 6.619   27.278  1.000 10.782 ? 208 THR AAA OG1 1 ? 
ATOM   1639 C  CG2 . THR A 1 207 ? -12.574 4.787   27.498  1.000 10.851 ? 208 THR AAA CG2 1 ? 
ATOM   1640 N  N   . TRP A 1 208 ? -10.553 2.254   25.766  1.000 7.918  ? 209 TRP AAA N   1 ? 
ATOM   1641 C  CA  . TRP A 1 208 ? -10.998 1.027   25.079  1.000 7.420  ? 209 TRP AAA CA  1 ? 
ATOM   1642 C  C   . TRP A 1 208 ? -12.358 0.619   25.592  1.000 7.866  ? 209 TRP AAA C   1 ? 
ATOM   1643 O  O   . TRP A 1 208 ? -12.564 0.586   26.797  1.000 9.505  ? 209 TRP AAA O   1 ? 
ATOM   1644 C  CB  . TRP A 1 208 ? -9.979  -0.076  25.266  1.000 7.412  ? 209 TRP AAA CB  1 ? 
ATOM   1645 C  CG  . TRP A 1 208 ? -8.877  0.054   24.281  1.000 7.109  ? 209 TRP AAA CG  1 ? 
ATOM   1646 C  CD1 . TRP A 1 208 ? -7.636  0.588   24.464  1.000 7.519  ? 209 TRP AAA CD1 1 ? 
ATOM   1647 C  CD2 . TRP A 1 208 ? -8.924  -0.392  22.915  1.000 7.262  ? 209 TRP AAA CD2 1 ? 
ATOM   1648 N  NE1 . TRP A 1 208 ? -6.960  0.579   23.287  1.000 7.760  ? 209 TRP AAA NE1 1 ? 
ATOM   1649 C  CE2 . TRP A 1 208 ? -7.700  -0.051  22.326  1.000 7.516  ? 209 TRP AAA CE2 1 ? 
ATOM   1650 C  CE3 . TRP A 1 208 ? -9.898  -1.009  22.122  1.000 8.217  ? 209 TRP AAA CE3 1 ? 
ATOM   1651 C  CZ2 . TRP A 1 208 ? -7.422  -0.303  20.983  1.000 7.350  ? 209 TRP AAA CZ2 1 ? 
ATOM   1652 C  CZ3 . TRP A 1 208 ? -9.607  -1.282  20.819  1.000 8.021  ? 209 TRP AAA CZ3 1 ? 
ATOM   1653 C  CH2 . TRP A 1 208 ? -8.389  -0.940  20.249  1.000 7.684  ? 209 TRP AAA CH2 1 ? 
ATOM   1654 N  N   . ILE A 1 209 ? -13.222 0.258   24.667  1.000 7.621  ? 210 ILE AAA N   1 ? 
ATOM   1655 C  CA  . ILE A 1 209 ? -14.571 -0.258  24.957  1.000 7.659  ? 210 ILE AAA CA  1 ? 
ATOM   1656 C  C   . ILE A 1 209 ? -14.669 -1.559  24.159  1.000 7.448  ? 210 ILE AAA C   1 ? 
ATOM   1657 O  O   . ILE A 1 209 ? -14.769 -1.471  22.929  1.000 9.005  ? 210 ILE AAA O   1 ? 
ATOM   1658 C  CB  . ILE A 1 209 ? -15.679 0.743   24.610  1.000 8.169  ? 210 ILE AAA CB  1 ? 
ATOM   1659 C  CG1 . ILE A 1 209 ? -15.484 2.064   25.357  1.000 8.987  ? 210 ILE AAA CG1 1 ? 
ATOM   1660 C  CG2 . ILE A 1 209 ? -17.066 0.157   24.887  1.000 8.439  ? 210 ILE AAA CG2 1 ? 
ATOM   1661 C  CD1 . ILE A 1 209 ? -16.394 3.177   24.883  1.000 9.978  ? 210 ILE AAA CD1 1 ? 
ATOM   1662 N  N   . VAL A 1 210 ? -14.664 -2.708  24.822  1.000 8.112  ? 211 VAL AAA N   1 ? 
ATOM   1663 C  CA  . VAL A 1 210 ? -14.567 -3.994  24.081  1.000 8.152  ? 211 VAL AAA CA  1 ? 
ATOM   1664 C  C   . VAL A 1 210 ? -15.873 -4.754  24.270  1.000 8.447  ? 211 VAL AAA C   1 ? 
ATOM   1665 O  O   . VAL A 1 210 ? -16.224 -5.011  25.431  1.000 9.014  ? 211 VAL AAA O   1 ? 
ATOM   1666 C  CB  . VAL A 1 210 ? -13.352 -4.835  24.512  1.000 7.981  ? 211 VAL AAA CB  1 ? 
ATOM   1667 C  CG1 . VAL A 1 210 ? -13.318 -6.192  23.779  1.000 8.737  ? 211 VAL AAA CG1 1 ? 
ATOM   1668 C  CG2 . VAL A 1 210 ? -12.078 -4.049  24.331  1.000 7.950  ? 211 VAL AAA CG2 1 ? 
ATOM   1669 N  N   . LEU A 1 211 ? -16.638 -4.979  23.200  1.000 8.553  ? 212 LEU AAA N   1 ? 
ATOM   1670 C  CA  . LEU A 1 211 ? -17.969 -5.636  23.370  1.000 9.132  ? 212 LEU AAA CA  1 ? 
ATOM   1671 C  C   . LEU A 1 211 ? -17.789 -7.103  23.775  1.000 8.904  ? 212 LEU AAA C   1 ? 
ATOM   1672 O  O   . LEU A 1 211 ? -16.885 -7.785  23.273  1.000 9.080  ? 212 LEU AAA O   1 ? 
ATOM   1673 C  CB  . LEU A 1 211 ? -18.806 -5.522  22.104  1.000 9.121  ? 212 LEU AAA CB  1 ? 
ATOM   1674 C  CG  . LEU A 1 211 ? -19.191 -4.113  21.704  1.000 9.581  ? 212 LEU AAA CG  1 ? 
ATOM   1675 C  CD1 . LEU A 1 211 ? -20.174 -4.081  20.532  1.000 9.765  ? 212 LEU AAA CD1 1 ? 
ATOM   1676 C  CD2 . LEU A 1 211 ? -19.736 -3.317  22.877  1.000 9.955  ? 212 LEU AAA CD2 1 ? 
ATOM   1677 N  N   . LYS A 1 212 ? -18.627 -7.586  24.688  1.000 10.912 ? 213 LYS AAA N   1 ? 
ATOM   1678 C  CA  A LYS A 1 212 ? -18.596 -8.995  25.144  1.000 11.964 ? 213 LYS AAA CA  1 ? 
ATOM   1679 C  C   . LYS A 1 212 ? -19.087 -9.921  24.031  1.000 11.664 ? 213 LYS AAA C   1 ? 
ATOM   1680 O  O   . LYS A 1 212 ? -18.531 -10.992 23.890  1.000 12.467 ? 213 LYS AAA O   1 ? 
ATOM   1681 C  CB  A LYS A 1 212 ? -19.507 -9.141  26.368  1.000 14.627 ? 213 LYS AAA CB  1 ? 
ATOM   1682 C  CG  A LYS A 1 212 ? -19.600 -10.536 26.993  1.000 18.387 ? 213 LYS AAA CG  1 ? 
ATOM   1683 C  CD  A LYS A 1 212 ? -20.738 -10.618 27.990  1.000 24.035 ? 213 LYS AAA CD  1 ? 
ATOM   1684 C  CE  A LYS A 1 212 ? -22.096 -10.660 27.301  1.000 29.239 ? 213 LYS AAA CE  1 ? 
ATOM   1685 N  NZ  A LYS A 1 212 ? -23.153 -9.928  28.038  1.000 31.487 ? 213 LYS AAA NZ  1 ? 
ATOM   1686 N  N   . GLU A 1 213 ? -20.122 -9.532  23.288  1.000 10.933 ? 214 GLU AAA N   1 ? 
ATOM   1687 C  CA  . GLU A 1 213 ? -20.747 -10.429 22.286  1.000 12.482 ? 214 GLU AAA CA  1 ? 
ATOM   1688 C  C   . GLU A 1 213 ? -19.939 -10.337 20.985  1.000 10.585 ? 214 GLU AAA C   1 ? 
ATOM   1689 O  O   . GLU A 1 213 ? -19.878 -9.261  20.394  1.000 10.471 ? 214 GLU AAA O   1 ? 
ATOM   1690 C  CB  . GLU A 1 213 ? -22.216 -10.061 22.087  1.000 12.923 ? 214 GLU AAA CB  1 ? 
ATOM   1691 C  CG  . GLU A 1 213 ? -22.959 -11.032 21.171  1.000 15.530 ? 214 GLU AAA CG  1 ? 
ATOM   1692 C  CD  . GLU A 1 213 ? -24.346 -10.565 20.764  1.000 19.062 ? 214 GLU AAA CD  1 ? 
ATOM   1693 O  OE1 . GLU A 1 213 ? -24.960 -9.805  21.480  1.000 19.389 ? 214 GLU AAA OE1 1 ? 
ATOM   1694 O  OE2 . GLU A 1 213 ? -24.799 -10.967 19.669  1.000 29.644 ? 214 GLU AAA OE2 1 ? 
ATOM   1695 N  N   . PRO A 1 214 ? -19.348 -11.430 20.472  1.000 11.327 ? 215 PRO AAA N   1 ? 
ATOM   1696 C  CA  . PRO A 1 214 ? -18.675 -11.392 19.183  1.000 12.093 ? 215 PRO AAA CA  1 ? 
ATOM   1697 C  C   . PRO A 1 214 ? -19.727 -11.373 18.056  1.000 11.477 ? 215 PRO AAA C   1 ? 
ATOM   1698 O  O   . PRO A 1 214 ? -20.929 -11.721 18.283  1.000 13.742 ? 215 PRO AAA O   1 ? 
ATOM   1699 C  CB  . PRO A 1 214 ? -17.866 -12.692 19.130  1.000 12.737 ? 215 PRO AAA CB  1 ? 
ATOM   1700 C  CG  . PRO A 1 214 ? -18.595 -13.620 20.042  1.000 14.944 ? 215 PRO AAA CG  1 ? 
ATOM   1701 C  CD  . PRO A 1 214 ? -19.234 -12.754 21.108  1.000 12.439 ? 215 PRO AAA CD  1 ? 
ATOM   1702 N  N   . ILE A 1 215 ? -19.309 -10.942 16.857  1.000 10.933 ? 216 ILE AAA N   1 ? 
ATOM   1703 C  CA  . ILE A 1 215 ? -20.122 -11.152 15.643  1.000 11.033 ? 216 ILE AAA CA  1 ? 
ATOM   1704 C  C   . ILE A 1 215 ? -19.611 -12.422 14.983  1.000 11.403 ? 216 ILE AAA C   1 ? 
ATOM   1705 O  O   . ILE A 1 215 ? -18.420 -12.801 15.164  1.000 11.678 ? 216 ILE AAA O   1 ? 
ATOM   1706 C  CB  . ILE A 1 215 ? -20.111 -9.953  14.685  1.000 11.021 ? 216 ILE AAA CB  1 ? 
ATOM   1707 C  CG1 . ILE A 1 215 ? -18.713 -9.552  14.240  1.000 10.683 ? 216 ILE AAA CG1 1 ? 
ATOM   1708 C  CG2 . ILE A 1 215 ? -20.788 -8.787  15.357  1.000 10.803 ? 216 ILE AAA CG2 1 ? 
ATOM   1709 C  CD1 . ILE A 1 215 ? -18.724 -8.576  13.034  1.000 10.898 ? 216 ILE AAA CD1 1 ? 
ATOM   1710 N  N   . SER A 1 216 ? -20.508 -13.062 14.229  1.000 13.245 ? 217 SER AAA N   1 ? 
ATOM   1711 C  CA  . SER A 1 216 ? -20.149 -14.242 13.402  1.000 14.836 ? 217 SER AAA CA  1 ? 
ATOM   1712 C  C   . SER A 1 216 ? -19.859 -13.781 11.990  1.000 14.584 ? 217 SER AAA C   1 ? 
ATOM   1713 O  O   . SER A 1 216 ? -20.729 -13.078 11.435  1.000 14.339 ? 217 SER AAA O   1 ? 
ATOM   1714 C  CB  . SER A 1 216 ? -21.250 -15.306 13.384  1.000 17.270 ? 217 SER AAA CB  1 ? 
ATOM   1715 O  OG  . SER A 1 216 ? -21.478 -15.809 14.681  1.000 24.509 ? 217 SER AAA OG  1 ? 
ATOM   1716 N  N   . VAL A 1 217 ? -18.733 -14.210 11.438  1.000 13.471 ? 218 VAL AAA N   1 ? 
ATOM   1717 C  CA  . VAL A 1 217 ? -18.466 -14.095 9.978   1.000 14.444 ? 218 VAL AAA CA  1 ? 
ATOM   1718 C  C   . VAL A 1 217 ? -18.226 -15.487 9.382   1.000 13.362 ? 218 VAL AAA C   1 ? 
ATOM   1719 O  O   . VAL A 1 217 ? -17.931 -16.452 10.122  1.000 12.868 ? 218 VAL AAA O   1 ? 
ATOM   1720 C  CB  . VAL A 1 217 ? -17.283 -13.151 9.690   1.000 14.590 ? 218 VAL AAA CB  1 ? 
ATOM   1721 C  CG1 . VAL A 1 217 ? -17.515 -11.771 10.287  1.000 16.481 ? 218 VAL AAA CG1 1 ? 
ATOM   1722 C  CG2 . VAL A 1 217 ? -15.966 -13.779 10.141  1.000 15.202 ? 218 VAL AAA CG2 1 ? 
ATOM   1723 N  N   . SER A 1 218 ? -18.387 -15.641 8.066   1.000 12.895 ? 219 SER AAA N   1 ? 
ATOM   1724 C  CA  . SER A 1 218 ? -18.186 -16.960 7.441   1.000 13.714 ? 219 SER AAA CA  1 ? 
ATOM   1725 C  C   . SER A 1 218 ? -16.725 -17.181 7.135   1.000 14.332 ? 219 SER AAA C   1 ? 
ATOM   1726 O  O   . SER A 1 218 ? -15.934 -16.228 7.047   1.000 14.361 ? 219 SER AAA O   1 ? 
ATOM   1727 C  CB  . SER A 1 218 ? -19.023 -17.178 6.241   1.000 12.579 ? 219 SER AAA CB  1 ? 
ATOM   1728 O  OG  . SER A 1 218 ? -18.648 -16.343 5.174   1.000 15.079 ? 219 SER AAA OG  1 ? 
ATOM   1729 N  N   . SER A 1 219 ? -16.372 -18.454 6.992   1.000 15.105 ? 220 SER AAA N   1 ? 
ATOM   1730 C  CA  A SER A 1 219 ? -14.990 -18.846 6.640   0.500 15.469 ? 220 SER AAA CA  1 ? 
ATOM   1731 C  CA  B SER A 1 219 ? -14.997 -18.865 6.629   0.500 15.547 ? 220 SER AAA CA  1 ? 
ATOM   1732 C  C   . SER A 1 219 ? -14.639 -18.171 5.306   1.000 15.213 ? 220 SER AAA C   1 ? 
ATOM   1733 O  O   . SER A 1 219 ? -13.495 -17.661 5.178   1.000 16.144 ? 220 SER AAA O   1 ? 
ATOM   1734 C  CB  A SER A 1 219 ? -14.828 -20.347 6.623   0.500 16.280 ? 220 SER AAA CB  1 ? 
ATOM   1735 C  CB  B SER A 1 219 ? -14.905 -20.373 6.571   0.500 16.457 ? 220 SER AAA CB  1 ? 
ATOM   1736 O  OG  A SER A 1 219 ? -13.451 -20.673 6.562   0.500 17.664 ? 220 SER AAA OG  1 ? 
ATOM   1737 O  OG  B SER A 1 219 ? -15.826 -20.882 5.621   0.500 18.012 ? 220 SER AAA OG  1 ? 
ATOM   1738 N  N   . GLU A 1 220 ? -15.614 -18.065 4.388   1.000 15.368 ? 221 GLU AAA N   1 ? 
ATOM   1739 C  CA  . GLU A 1 220 ? -15.355 -17.462 3.059   1.000 16.744 ? 221 GLU AAA CA  1 ? 
ATOM   1740 C  C   . GLU A 1 220 ? -15.084 -15.966 3.217   1.000 15.800 ? 221 GLU AAA C   1 ? 
ATOM   1741 O  O   . GLU A 1 220 ? -14.209 -15.452 2.490   1.000 16.232 ? 221 GLU AAA O   1 ? 
ATOM   1742 C  CB  . GLU A 1 220 ? -16.511 -17.711 2.088   1.000 17.811 ? 221 GLU AAA CB  1 ? 
ATOM   1743 C  CG  . GLU A 1 220 ? -16.763 -19.173 1.770   1.000 21.933 ? 221 GLU AAA CG  1 ? 
ATOM   1744 C  CD  . GLU A 1 220 ? -17.751 -19.952 2.632   1.000 25.557 ? 221 GLU AAA CD  1 ? 
ATOM   1745 O  OE1 . GLU A 1 220 ? -18.115 -19.494 3.736   1.000 25.396 ? 221 GLU AAA OE1 1 ? 
ATOM   1746 O  OE2 . GLU A 1 220 ? -18.165 -21.055 2.177   1.000 31.529 ? 221 GLU AAA OE2 1 ? 
ATOM   1747 N  N   . GLN A 1 221 ? -15.777 -15.274 4.134   1.000 14.048 ? 222 GLN AAA N   1 ? 
ATOM   1748 C  CA  . GLN A 1 221 ? -15.511 -13.845 4.373   1.000 14.094 ? 222 GLN AAA CA  1 ? 
ATOM   1749 C  C   . GLN A 1 221 ? -14.089 -13.672 4.915   1.000 14.140 ? 222 GLN AAA C   1 ? 
ATOM   1750 O  O   . GLN A 1 221 ? -13.372 -12.820 4.438   1.000 14.075 ? 222 GLN AAA O   1 ? 
ATOM   1751 C  CB  . GLN A 1 221 ? -16.552 -13.219 5.305   1.000 13.753 ? 222 GLN AAA CB  1 ? 
ATOM   1752 C  CG  . GLN A 1 221 ? -17.938 -13.209 4.692   1.000 12.435 ? 222 GLN AAA CG  1 ? 
ATOM   1753 C  CD  . GLN A 1 221 ? -19.023 -12.625 5.552   1.000 12.250 ? 222 GLN AAA CD  1 ? 
ATOM   1754 O  OE1 . GLN A 1 221 ? -19.177 -12.954 6.720   1.000 11.613 ? 222 GLN AAA OE1 1 ? 
ATOM   1755 N  NE2 . GLN A 1 221 ? -19.848 -11.804 4.933   1.000 13.512 ? 222 GLN AAA NE2 1 ? 
ATOM   1756 N  N   . VAL A 1 222 ? -13.693 -14.412 5.948   1.000 13.056 ? 223 VAL AAA N   1 ? 
ATOM   1757 C  CA  . VAL A 1 222 ? -12.353 -14.133 6.536   1.000 14.151 ? 223 VAL AAA CA  1 ? 
ATOM   1758 C  C   . VAL A 1 222 ? -11.270 -14.606 5.551   1.000 14.144 ? 223 VAL AAA C   1 ? 
ATOM   1759 O  O   . VAL A 1 222 ? -10.207 -14.002 5.497   1.000 13.951 ? 223 VAL AAA O   1 ? 
ATOM   1760 C  CB  . VAL A 1 222 ? -12.220 -14.729 7.954   1.000 15.278 ? 223 VAL AAA CB  1 ? 
ATOM   1761 C  CG1 . VAL A 1 222 ? -12.319 -16.243 7.985   1.000 16.811 ? 223 VAL AAA CG1 1 ? 
ATOM   1762 C  CG2 . VAL A 1 222 ? -10.915 -14.290 8.588   1.000 16.411 ? 223 VAL AAA CG2 1 ? 
ATOM   1763 N  N   . LEU A 1 223 ? -11.527 -15.647 4.740   1.000 16.863 ? 224 LEU AAA N   1 ? 
ATOM   1764 C  CA  . LEU A 1 223 ? -10.530 -16.104 3.741   1.000 18.533 ? 224 LEU AAA CA  1 ? 
ATOM   1765 C  C   . LEU A 1 223 ? -10.183 -14.951 2.796   1.000 18.381 ? 224 LEU AAA C   1 ? 
ATOM   1766 O  O   . LEU A 1 223 ? -8.993  -14.841 2.427   1.000 18.970 ? 224 LEU AAA O   1 ? 
ATOM   1767 C  CB  . LEU A 1 223 ? -11.062 -17.338 3.014   1.000 21.395 ? 224 LEU AAA CB  1 ? 
ATOM   1768 C  CG  . LEU A 1 223 ? -10.871 -18.616 3.832   1.000 25.734 ? 224 LEU AAA CG  1 ? 
ATOM   1769 C  CD1 . LEU A 1 223 ? -11.814 -19.725 3.376   1.000 26.204 ? 224 LEU AAA CD1 1 ? 
ATOM   1770 C  CD2 . LEU A 1 223 ? -9.416  -19.068 3.793   1.000 26.224 ? 224 LEU AAA CD2 1 ? 
ATOM   1771 N  N   . LYS A 1 224 ? -11.153 -14.110 2.441   1.000 15.633 ? 225 LYS AAA N   1 ? 
ATOM   1772 C  CA  . LYS A 1 224 ? -10.913 -12.952 1.551   1.000 16.072 ? 225 LYS AAA CA  1 ? 
ATOM   1773 C  C   . LYS A 1 224 ? -10.083 -11.873 2.262   1.000 14.453 ? 225 LYS AAA C   1 ? 
ATOM   1774 O  O   . LYS A 1 224 ? -9.259  -11.254 1.590   1.000 15.675 ? 225 LYS AAA O   1 ? 
ATOM   1775 C  CB  . LYS A 1 224 ? -12.238 -12.487 0.932   1.000 19.770 ? 225 LYS AAA CB  1 ? 
ATOM   1776 C  CG  . LYS A 1 224 ? -12.781 -13.519 -0.059  1.000 23.883 ? 225 LYS AAA CG  1 ? 
ATOM   1777 C  CD  . LYS A 1 224 ? -14.185 -13.285 -0.628  1.000 27.884 ? 225 LYS AAA CD  1 ? 
ATOM   1778 C  CE  . LYS A 1 224 ? -14.633 -14.417 -1.537  1.000 30.401 ? 225 LYS AAA CE  1 ? 
ATOM   1779 N  NZ  . LYS A 1 224 ? -15.793 -14.058 -2.395  1.000 33.170 ? 225 LYS AAA NZ  1 ? 
ATOM   1780 N  N   . PHE A 1 225 ? -10.206 -11.661 3.570   1.000 12.671 ? 226 PHE AAA N   1 ? 
ATOM   1781 C  CA  . PHE A 1 225 ? -9.251  -10.785 4.301   1.000 12.625 ? 226 PHE AAA CA  1 ? 
ATOM   1782 C  C   . PHE A 1 225 ? -7.826  -11.299 4.086   1.000 13.156 ? 226 PHE AAA C   1 ? 
ATOM   1783 O  O   . PHE A 1 225 ? -6.887  -10.513 3.932   1.000 12.010 ? 226 PHE AAA O   1 ? 
ATOM   1784 C  CB  . PHE A 1 225 ? -9.520  -10.822 5.812   1.000 12.492 ? 226 PHE AAA CB  1 ? 
ATOM   1785 C  CG  . PHE A 1 225 ? -10.673 -10.003 6.339   1.000 13.847 ? 226 PHE AAA CG  1 ? 
ATOM   1786 C  CD1 . PHE A 1 225 ? -11.756 -9.641  5.554   1.000 14.580 ? 226 PHE AAA CD1 1 ? 
ATOM   1787 C  CD2 . PHE A 1 225 ? -10.750 -9.766  7.709   1.000 14.836 ? 226 PHE AAA CD2 1 ? 
ATOM   1788 C  CE1 . PHE A 1 225 ? -12.833 -8.939  6.088   1.000 16.205 ? 226 PHE AAA CE1 1 ? 
ATOM   1789 C  CE2 . PHE A 1 225 ? -11.825 -9.070  8.237   1.000 15.710 ? 226 PHE AAA CE2 1 ? 
ATOM   1790 C  CZ  . PHE A 1 225 ? -12.843 -8.629  7.425   1.000 15.345 ? 226 PHE AAA CZ  1 ? 
ATOM   1791 N  N   . ARG A 1 226 ? -7.664  -12.620 4.102   1.000 12.958 ? 227 ARG AAA N   1 ? 
ATOM   1792 C  CA  . ARG A 1 226 ? -6.328  -13.255 4.088   1.000 13.190 ? 227 ARG AAA CA  1 ? 
ATOM   1793 C  C   . ARG A 1 226 ? -5.736  -13.267 2.688   1.000 12.834 ? 227 ARG AAA C   1 ? 
ATOM   1794 O  O   . ARG A 1 226 ? -4.573  -13.613 2.569   1.000 14.881 ? 227 ARG AAA O   1 ? 
ATOM   1795 C  CB  . ARG A 1 226 ? -6.423  -14.669 4.655   1.000 13.286 ? 227 ARG AAA CB  1 ? 
ATOM   1796 C  CG  . ARG A 1 226 ? -6.804  -14.762 6.113   1.000 14.653 ? 227 ARG AAA CG  1 ? 
ATOM   1797 C  CD  . ARG A 1 226 ? -6.902  -16.222 6.513   1.000 15.086 ? 227 ARG AAA CD  1 ? 
ATOM   1798 N  NE  . ARG A 1 226 ? -7.405  -16.362 7.871   1.000 15.444 ? 227 ARG AAA NE  1 ? 
ATOM   1799 C  CZ  . ARG A 1 226 ? -8.272  -17.284 8.305   1.000 17.883 ? 227 ARG AAA CZ  1 ? 
ATOM   1800 N  NH1 . ARG A 1 226 ? -8.772  -18.192 7.486   1.000 19.575 ? 227 ARG AAA NH1 1 ? 
ATOM   1801 N  NH2 . ARG A 1 226 ? -8.666  -17.271 9.563   1.000 18.214 ? 227 ARG AAA NH2 1 ? 
ATOM   1802 N  N   . LYS A 1 227 ? -6.483  -12.877 1.660   1.000 13.294 ? 228 LYS AAA N   1 ? 
ATOM   1803 C  CA  . LYS A 1 227 ? -5.950  -12.747 0.280   1.000 14.406 ? 228 LYS AAA CA  1 ? 
ATOM   1804 C  C   . LYS A 1 227 ? -5.375  -11.341 0.071   1.000 12.833 ? 228 LYS AAA C   1 ? 
ATOM   1805 O  O   . LYS A 1 227 ? -4.767  -11.112 -1.004  1.000 15.271 ? 228 LYS AAA O   1 ? 
ATOM   1806 C  CB  . LYS A 1 227 ? -7.043  -13.011 -0.761  1.000 16.323 ? 228 LYS AAA CB  1 ? 
ATOM   1807 C  CG  . LYS A 1 227 ? -7.597  -14.436 -0.906  1.000 22.139 ? 228 LYS AAA CG  1 ? 
ATOM   1808 C  CD  . LYS A 1 227 ? -8.178  -14.645 -2.319  1.000 28.103 ? 228 LYS AAA CD  1 ? 
ATOM   1809 C  CE  . LYS A 1 227 ? -9.199  -15.755 -2.478  1.000 32.621 ? 228 LYS AAA CE  1 ? 
ATOM   1810 N  NZ  . LYS A 1 227 ? -9.122  -16.781 -1.406  1.000 36.754 ? 228 LYS AAA NZ  1 ? 
ATOM   1811 N  N   . LEU A 1 228 ? -5.550  -10.392 1.007   1.000 12.113 ? 229 LEU AAA N   1 ? 
ATOM   1812 C  CA  . LEU A 1 228 ? -4.885  -9.084  0.890   1.000 11.286 ? 229 LEU AAA CA  1 ? 
ATOM   1813 C  C   . LEU A 1 228 ? -3.369  -9.245  0.958   1.000 11.513 ? 229 LEU AAA C   1 ? 
ATOM   1814 O  O   . LEU A 1 228 ? -2.867  -10.276 1.460   1.000 13.606 ? 229 LEU AAA O   1 ? 
ATOM   1815 C  CB  . LEU A 1 228 ? -5.369  -8.133  1.982   1.000 11.345 ? 229 LEU AAA CB  1 ? 
ATOM   1816 C  CG  . LEU A 1 228 ? -6.831  -7.722  1.840   1.000 11.938 ? 229 LEU AAA CG  1 ? 
ATOM   1817 C  CD1 . LEU A 1 228 ? -7.376  -7.120  3.125   1.000 12.509 ? 229 LEU AAA CD1 1 ? 
ATOM   1818 C  CD2 . LEU A 1 228 ? -6.974  -6.714  0.710   1.000 12.574 ? 229 LEU AAA CD2 1 ? 
ATOM   1819 N  N   . ASN A 1 229 ? -2.646  -8.204  0.553   1.000 13.203 ? 230 ASN AAA N   1 ? 
ATOM   1820 C  CA  . ASN A 1 229 ? -1.162  -8.170  0.569   1.000 13.635 ? 230 ASN AAA CA  1 ? 
ATOM   1821 C  C   . ASN A 1 229 ? -0.662  -7.032  1.448   1.000 13.482 ? 230 ASN AAA C   1 ? 
ATOM   1822 O  O   . ASN A 1 229 ? -1.238  -5.959  1.385   1.000 12.706 ? 230 ASN AAA O   1 ? 
ATOM   1823 C  CB  . ASN A 1 229 ? -0.654  -7.955  -0.857  1.000 14.577 ? 230 ASN AAA CB  1 ? 
ATOM   1824 C  CG  . ASN A 1 229 ? -0.775  -9.162  -1.769  1.000 16.413 ? 230 ASN AAA CG  1 ? 
ATOM   1825 O  OD1 . ASN A 1 229 ? -0.323  -9.090  -2.907  1.000 21.445 ? 230 ASN AAA OD1 1 ? 
ATOM   1826 N  ND2 . ASN A 1 229 ? -1.310  -10.272 -1.302  1.000 15.268 ? 230 ASN AAA ND2 1 ? 
ATOM   1827 N  N   . PHE A 1 230 ? 0.412   -7.246  2.199   1.000 14.105 ? 231 PHE AAA N   1 ? 
ATOM   1828 C  CA  . PHE A 1 230 ? 1.131   -6.176  2.926   1.000 13.750 ? 231 PHE AAA CA  1 ? 
ATOM   1829 C  C   . PHE A 1 230 ? 1.933   -5.321  1.950   1.000 14.545 ? 231 PHE AAA C   1 ? 
ATOM   1830 O  O   . PHE A 1 230 ? 2.194   -4.148  2.246   1.000 14.913 ? 231 PHE AAA O   1 ? 
ATOM   1831 C  CB  . PHE A 1 230 ? 2.131   -6.754  3.917   1.000 14.589 ? 231 PHE AAA CB  1 ? 
ATOM   1832 C  CG  . PHE A 1 230 ? 1.599   -7.371  5.184   1.000 13.463 ? 231 PHE AAA CG  1 ? 
ATOM   1833 C  CD1 . PHE A 1 230 ? 0.800   -6.640  6.034   1.000 12.323 ? 231 PHE AAA CD1 1 ? 
ATOM   1834 C  CD2 . PHE A 1 230 ? 1.918   -8.681  5.539   1.000 12.840 ? 231 PHE AAA CD2 1 ? 
ATOM   1835 C  CE1 . PHE A 1 230 ? 0.355   -7.180  7.233   1.000 12.818 ? 231 PHE AAA CE1 1 ? 
ATOM   1836 C  CE2 . PHE A 1 230 ? 1.467   -9.232  6.736   1.000 12.338 ? 231 PHE AAA CE2 1 ? 
ATOM   1837 C  CZ  . PHE A 1 230 ? 0.701   -8.468  7.591   1.000 13.081 ? 231 PHE AAA CZ  1 ? 
ATOM   1838 N  N   . ASN A 1 231 ? 2.414   -5.966  0.885   1.000 13.896 ? 232 ASN AAA N   1 ? 
ATOM   1839 C  CA  . ASN A 1 231 ? 3.342   -5.382  -0.113  1.000 16.816 ? 232 ASN AAA CA  1 ? 
ATOM   1840 C  C   . ASN A 1 231 ? 2.593   -4.477  -1.094  1.000 17.114 ? 232 ASN AAA C   1 ? 
ATOM   1841 O  O   . ASN A 1 231 ? 1.382   -4.650  -1.305  1.000 15.313 ? 232 ASN AAA O   1 ? 
ATOM   1842 C  CB  . ASN A 1 231 ? 4.060   -6.498  -0.865  1.000 15.880 ? 232 ASN AAA CB  1 ? 
ATOM   1843 C  CG  . ASN A 1 231 ? 3.082   -7.464  -1.498  1.000 17.098 ? 232 ASN AAA CG  1 ? 
ATOM   1844 O  OD1 . ASN A 1 231 ? 2.526   -8.341  -0.828  1.000 15.709 ? 232 ASN AAA OD1 1 ? 
ATOM   1845 N  ND2 . ASN A 1 231 ? 2.816   -7.312  -2.792  1.000 19.534 ? 232 ASN AAA ND2 1 ? 
ATOM   1846 N  N   . GLY A 1 232 ? 3.347   -3.551  -1.698  1.000 18.966 ? 233 GLY AAA N   1 ? 
ATOM   1847 C  CA  . GLY A 1 232 ? 2.922   -2.790  -2.882  1.000 18.048 ? 233 GLY AAA CA  1 ? 
ATOM   1848 C  C   . GLY A 1 232 ? 2.875   -3.660  -4.130  1.000 19.338 ? 233 GLY AAA C   1 ? 
ATOM   1849 O  O   . GLY A 1 232 ? 3.472   -4.755  -4.135  1.000 19.297 ? 233 GLY AAA O   1 ? 
ATOM   1850 N  N   . GLU A 1 233 ? 2.107   -3.211  -5.132  1.000 20.795 ? 234 GLU AAA N   1 ? 
ATOM   1851 C  CA  . GLU A 1 233 ? 1.997   -3.799  -6.495  1.000 24.479 ? 234 GLU AAA CA  1 ? 
ATOM   1852 C  C   . GLU A 1 233 ? 3.395   -4.063  -7.082  1.000 24.474 ? 234 GLU AAA C   1 ? 
ATOM   1853 O  O   . GLU A 1 233 ? 4.256   -3.213  -6.956  1.000 21.631 ? 234 GLU AAA O   1 ? 
ATOM   1854 C  CB  . GLU A 1 233 ? 1.189   -2.845  -7.382  1.000 24.771 ? 234 GLU AAA CB  1 ? 
ATOM   1855 C  CG  . GLU A 1 233 ? 0.794   -3.452  -8.710  1.000 28.424 ? 234 GLU AAA CG  1 ? 
ATOM   1856 C  CD  . GLU A 1 233 ? 0.284   -2.446  -9.718  1.000 32.304 ? 234 GLU AAA CD  1 ? 
ATOM   1857 O  OE1 . GLU A 1 233 ? 0.176   -1.234  -9.360  1.000 34.401 ? 234 GLU AAA OE1 1 ? 
ATOM   1858 O  OE2 . GLU A 1 233 ? 0.018   -2.873  -10.868 1.000 30.509 ? 234 GLU AAA OE2 1 ? 
ATOM   1859 N  N   . GLY A 1 234 ? 3.580   -5.228  -7.707  1.000 29.458 ? 235 GLY AAA N   1 ? 
ATOM   1860 C  CA  . GLY A 1 234 ? 4.839   -5.656  -8.359  1.000 33.385 ? 235 GLY AAA CA  1 ? 
ATOM   1861 C  C   . GLY A 1 234 ? 6.013   -5.801  -7.392  1.000 36.745 ? 235 GLY AAA C   1 ? 
ATOM   1862 O  O   . GLY A 1 234 ? 7.172   -5.787  -7.861  1.000 40.927 ? 235 GLY AAA O   1 ? 
ATOM   1863 N  N   . GLU A 1 235 ? 5.745   -5.918  -6.090  1.000 31.609 ? 236 GLU AAA N   1 ? 
ATOM   1864 C  CA  . GLU A 1 235 ? 6.747   -6.307  -5.065  1.000 29.732 ? 236 GLU AAA CA  1 ? 
ATOM   1865 C  C   . GLU A 1 235 ? 6.467   -7.759  -4.720  1.000 27.024 ? 236 GLU AAA C   1 ? 
ATOM   1866 O  O   . GLU A 1 235 ? 5.417   -8.271  -5.096  1.000 27.208 ? 236 GLU AAA O   1 ? 
ATOM   1867 C  CB  . GLU A 1 235 ? 6.638   -5.447  -3.805  1.000 32.651 ? 236 GLU AAA CB  1 ? 
ATOM   1868 C  CG  . GLU A 1 235 ? 6.866   -3.969  -4.049  1.000 35.221 ? 236 GLU AAA CG  1 ? 
ATOM   1869 C  CD  . GLU A 1 235 ? 6.825   -3.113  -2.789  1.000 40.928 ? 236 GLU AAA CD  1 ? 
ATOM   1870 O  OE1 . GLU A 1 235 ? 6.358   -3.609  -1.732  1.000 43.495 ? 236 GLU AAA OE1 1 ? 
ATOM   1871 O  OE2 . GLU A 1 235 ? 7.248   -1.943  -2.861  1.000 46.179 ? 236 GLU AAA OE2 1 ? 
ATOM   1872 N  N   . PRO A 1 236 ? 7.386   -8.462  -4.033  1.000 28.010 ? 237 PRO AAA N   1 ? 
ATOM   1873 C  CA  . PRO A 1 236 ? 7.148   -9.846  -3.628  1.000 27.000 ? 237 PRO AAA CA  1 ? 
ATOM   1874 C  C   . PRO A 1 236 ? 5.883   -9.962  -2.755  1.000 22.947 ? 237 PRO AAA C   1 ? 
ATOM   1875 O  O   . PRO A 1 236 ? 5.780   -9.205  -1.778  1.000 22.375 ? 237 PRO AAA O   1 ? 
ATOM   1876 C  CB  . PRO A 1 236 ? 8.403   -10.215 -2.808  1.000 29.265 ? 237 PRO AAA CB  1 ? 
ATOM   1877 C  CG  . PRO A 1 236 ? 9.450   -9.218  -3.266  1.000 30.429 ? 237 PRO AAA CG  1 ? 
ATOM   1878 C  CD  . PRO A 1 236 ? 8.671   -7.947  -3.537  1.000 30.533 ? 237 PRO AAA CD  1 ? 
ATOM   1879 N  N   . GLU A 1 237 ? 5.018   -10.916 -3.100  1.000 23.005 ? 238 GLU AAA N   1 ? 
ATOM   1880 C  CA  . GLU A 1 237 ? 3.708   -11.124 -2.432  1.000 21.812 ? 238 GLU AAA CA  1 ? 
ATOM   1881 C  C   . GLU A 1 237 ? 3.911   -11.621 -0.994  1.000 21.068 ? 238 GLU AAA C   1 ? 
ATOM   1882 O  O   . GLU A 1 237 ? 4.455   -12.729 -0.767  1.000 17.577 ? 238 GLU AAA O   1 ? 
ATOM   1883 C  CB  . GLU A 1 237 ? 2.782   -12.096 -3.163  1.000 24.003 ? 238 GLU AAA CB  1 ? 
ATOM   1884 C  CG  . GLU A 1 237 ? 1.330   -11.945 -2.683  1.000 29.745 ? 238 GLU AAA CG  1 ? 
ATOM   1885 C  CD  . GLU A 1 237 ? 0.273   -12.877 -3.254  1.000 34.435 ? 238 GLU AAA CD  1 ? 
ATOM   1886 O  OE1 . GLU A 1 237 ? 0.660   -13.935 -3.822  1.000 39.068 ? 238 GLU AAA OE1 1 ? 
ATOM   1887 O  OE2 . GLU A 1 237 ? -0.942  -12.549 -3.123  1.000 31.502 ? 238 GLU AAA OE2 1 ? 
ATOM   1888 N  N   . GLU A 1 238 ? 3.383   -10.850 -0.050  1.000 18.621 ? 239 GLU AAA N   1 ? 
ATOM   1889 C  CA  A GLU A 1 238 ? 3.331   -11.247 1.378   1.000 18.666 ? 239 GLU AAA CA  1 ? 
ATOM   1890 C  C   . GLU A 1 238 ? 1.879   -11.112 1.818   1.000 15.581 ? 239 GLU AAA C   1 ? 
ATOM   1891 O  O   . GLU A 1 238 ? 1.338   -9.988  1.836   1.000 15.579 ? 239 GLU AAA O   1 ? 
ATOM   1892 C  CB  A GLU A 1 238 ? 4.301   -10.447 2.250   1.000 23.380 ? 239 GLU AAA CB  1 ? 
ATOM   1893 C  CG  A GLU A 1 238 ? 4.544   -11.108 3.599   1.000 29.520 ? 239 GLU AAA CG  1 ? 
ATOM   1894 C  CD  A GLU A 1 238 ? 5.065   -12.547 3.574   1.000 35.490 ? 239 GLU AAA CD  1 ? 
ATOM   1895 O  OE1 A GLU A 1 238 ? 5.476   -13.034 2.484   1.000 39.861 ? 239 GLU AAA OE1 1 ? 
ATOM   1896 O  OE2 A GLU A 1 238 ? 5.069   -13.194 4.644   1.000 39.294 ? 239 GLU AAA OE2 1 ? 
ATOM   1897 N  N   . LEU A 1 239 ? 1.248   -12.245 2.095   1.000 13.839 ? 240 LEU AAA N   1 ? 
ATOM   1898 C  CA  . LEU A 1 239 ? -0.174  -12.203 2.466   1.000 12.970 ? 240 LEU AAA CA  1 ? 
ATOM   1899 C  C   . LEU A 1 239 ? -0.350  -11.366 3.746   1.000 12.869 ? 240 LEU AAA C   1 ? 
ATOM   1900 O  O   . LEU A 1 239 ? 0.444   -11.474 4.692   1.000 13.722 ? 240 LEU AAA O   1 ? 
ATOM   1901 C  CB  . LEU A 1 239 ? -0.674  -13.635 2.591   1.000 13.565 ? 240 LEU AAA CB  1 ? 
ATOM   1902 C  CG  . LEU A 1 239 ? -0.659  -14.408 1.266   1.000 16.120 ? 240 LEU AAA CG  1 ? 
ATOM   1903 C  CD1 . LEU A 1 239 ? -0.894  -15.880 1.471   1.000 17.895 ? 240 LEU AAA CD1 1 ? 
ATOM   1904 C  CD2 . LEU A 1 239 ? -1.644  -13.839 0.269   1.000 16.986 ? 240 LEU AAA CD2 1 ? 
ATOM   1905 N  N   . MET A 1 240 ? -1.376  -10.516 3.732   1.000 10.859 ? 241 MET AAA N   1 ? 
ATOM   1906 C  CA  . MET A 1 240 ? -1.773  -9.722  4.917   1.000 10.564 ? 241 MET AAA CA  1 ? 
ATOM   1907 C  C   . MET A 1 240 ? -2.516  -10.646 5.880   1.000 11.060 ? 241 MET AAA C   1 ? 
ATOM   1908 O  O   . MET A 1 240 ? -3.761  -10.786 5.773   1.000 11.265 ? 241 MET AAA O   1 ? 
ATOM   1909 C  CB  . MET A 1 240 ? -2.636  -8.536  4.503   1.000 10.895 ? 241 MET AAA CB  1 ? 
ATOM   1910 C  CG  . MET A 1 240 ? -2.934  -7.616  5.661   1.000 10.565 ? 241 MET AAA CG  1 ? 
ATOM   1911 S  SD  . MET A 1 240 ? -3.879  -6.181  5.147   1.000 11.897 ? 241 MET AAA SD  1 ? 
ATOM   1912 C  CE  . MET A 1 240 ? -2.596  -5.191  4.376   1.000 11.764 ? 241 MET AAA CE  1 ? 
ATOM   1913 N  N   . VAL A 1 241 ? -1.755  -11.299 6.759   1.000 11.444 ? 242 VAL AAA N   1 ? 
ATOM   1914 C  CA  . VAL A 1 241 ? -2.301  -12.158 7.834   1.000 10.902 ? 242 VAL AAA CA  1 ? 
ATOM   1915 C  C   . VAL A 1 241 ? -1.490  -11.865 9.095   1.000 10.364 ? 242 VAL AAA C   1 ? 
ATOM   1916 O  O   . VAL A 1 241 ? -0.322  -11.431 9.012   1.000 11.387 ? 242 VAL AAA O   1 ? 
ATOM   1917 C  CB  . VAL A 1 241 ? -2.262  -13.652 7.456   1.000 10.508 ? 242 VAL AAA CB  1 ? 
ATOM   1918 C  CG1 . VAL A 1 241 ? -3.087  -13.927 6.204   1.000 11.251 ? 242 VAL AAA CG1 1 ? 
ATOM   1919 C  CG2 . VAL A 1 241 ? -0.824  -14.150 7.248   1.000 10.942 ? 242 VAL AAA CG2 1 ? 
ATOM   1920 N  N   . ASP A 1 242 ? -2.085  -12.145 10.254  1.000 9.694  ? 243 ASP AAA N   1 ? 
ATOM   1921 C  CA  . ASP A 1 242 ? -1.453  -12.039 11.588  1.000 10.452 ? 243 ASP AAA CA  1 ? 
ATOM   1922 C  C   . ASP A 1 242 ? -0.960  -10.611 11.821  1.000 10.352 ? 243 ASP AAA C   1 ? 
ATOM   1923 O  O   . ASP A 1 242 ? 0.157   -10.412 12.335  1.000 11.110 ? 243 ASP AAA O   1 ? 
ATOM   1924 C  CB  . ASP A 1 242 ? -0.366  -13.094 11.763  1.000 10.392 ? 243 ASP AAA CB  1 ? 
ATOM   1925 C  CG  . ASP A 1 242 ? -0.962  -14.483 11.823  1.000 11.191 ? 243 ASP AAA CG  1 ? 
ATOM   1926 O  OD1 . ASP A 1 242 ? -2.067  -14.680 12.467  1.000 10.932 ? 243 ASP AAA OD1 1 ? 
ATOM   1927 O  OD2 . ASP A 1 242 ? -0.309  -15.404 11.197  1.000 13.616 ? 243 ASP AAA OD2 1 ? 
ATOM   1928 N  N   . ASN A 1 243 ? -1.818  -9.642  11.479  1.000 9.615  ? 244 ASN AAA N   1 ? 
ATOM   1929 C  CA  . ASN A 1 243 ? -1.540  -8.214  11.723  1.000 8.710  ? 244 ASN AAA CA  1 ? 
ATOM   1930 C  C   . ASN A 1 243 ? -2.090  -7.769  13.080  1.000 8.365  ? 244 ASN AAA C   1 ? 
ATOM   1931 O  O   . ASN A 1 243 ? -2.765  -6.790  13.166  1.000 9.089  ? 244 ASN AAA O   1 ? 
ATOM   1932 C  CB  . ASN A 1 243 ? -2.087  -7.391  10.562  1.000 8.044  ? 244 ASN AAA CB  1 ? 
ATOM   1933 C  CG  . ASN A 1 243 ? -3.578  -7.566  10.321  1.000 9.120  ? 244 ASN AAA CG  1 ? 
ATOM   1934 O  OD1 . ASN A 1 243 ? -4.211  -8.402  10.939  1.000 8.948  ? 244 ASN AAA OD1 1 ? 
ATOM   1935 N  ND2 . ASN A 1 243 ? -4.128  -6.750  9.430   1.000 11.524 ? 244 ASN AAA ND2 1 ? 
ATOM   1936 N  N   . TRP A 1 244 ? -1.845  -8.545  14.128  1.000 8.042  ? 245 TRP AAA N   1 ? 
ATOM   1937 C  CA  . TRP A 1 244 ? -2.335  -8.334  15.509  1.000 8.198  ? 245 TRP AAA CA  1 ? 
ATOM   1938 C  C   . TRP A 1 244 ? -1.125  -8.235  16.437  1.000 8.614  ? 245 TRP AAA C   1 ? 
ATOM   1939 O  O   . TRP A 1 244 ? -0.135  -8.886  16.220  1.000 10.057 ? 245 TRP AAA O   1 ? 
ATOM   1940 C  CB  . TRP A 1 244 ? -3.275  -9.456  15.951  1.000 8.418  ? 245 TRP AAA CB  1 ? 
ATOM   1941 C  CG  . TRP A 1 244 ? -2.759  -10.846 15.778  1.000 7.831  ? 245 TRP AAA CG  1 ? 
ATOM   1942 C  CD1 . TRP A 1 244 ? -2.878  -11.627 14.658  1.000 8.318  ? 245 TRP AAA CD1 1 ? 
ATOM   1943 C  CD2 . TRP A 1 244 ? -2.189  -11.680 16.804  1.000 7.784  ? 245 TRP AAA CD2 1 ? 
ATOM   1944 N  NE1 . TRP A 1 244 ? -2.341  -12.845 14.910  1.000 8.142  ? 245 TRP AAA NE1 1 ? 
ATOM   1945 C  CE2 . TRP A 1 244 ? -1.884  -12.906 16.195  1.000 8.610  ? 245 TRP AAA CE2 1 ? 
ATOM   1946 C  CE3 . TRP A 1 244 ? -1.805  -11.512 18.147  1.000 9.035  ? 245 TRP AAA CE3 1 ? 
ATOM   1947 C  CZ2 . TRP A 1 244 ? -1.287  -13.959 16.873  1.000 8.861  ? 245 TRP AAA CZ2 1 ? 
ATOM   1948 C  CZ3 . TRP A 1 244 ? -1.233  -12.587 18.835  1.000 8.809  ? 245 TRP AAA CZ3 1 ? 
ATOM   1949 C  CH2 . TRP A 1 244 ? -0.933  -13.773 18.175  1.000 10.059 ? 245 TRP AAA CH2 1 ? 
ATOM   1950 N  N   . ARG A 1 245 ? -1.204  -7.337  17.390  1.000 8.830  ? 246 ARG AAA N   1 ? 
ATOM   1951 C  CA  . ARG A 1 245 ? -0.237  -7.256  18.500  1.000 9.753  ? 246 ARG AAA CA  1 ? 
ATOM   1952 C  C   . ARG A 1 245 ? -0.715  -8.150  19.628  1.000 10.257 ? 246 ARG AAA C   1 ? 
ATOM   1953 O  O   . ARG A 1 245 ? -1.902  -8.189  19.935  1.000 10.199 ? 246 ARG AAA O   1 ? 
ATOM   1954 C  CB  . ARG A 1 245 ? -0.161  -5.830  19.056  1.000 9.975  ? 246 ARG AAA CB  1 ? 
ATOM   1955 C  CG  . ARG A 1 245 ? 1.001   -5.543  19.996  1.000 9.560  ? 246 ARG AAA CG  1 ? 
ATOM   1956 C  CD  . ARG A 1 245 ? 0.884   -4.177  20.630  1.000 8.621  ? 246 ARG AAA CD  1 ? 
ATOM   1957 N  NE  . ARG A 1 245 ? 2.141   -3.827  21.330  1.000 8.975  ? 246 ARG AAA NE  1 ? 
ATOM   1958 C  CZ  . ARG A 1 245 ? 2.292   -2.817  22.203  1.000 10.089 ? 246 ARG AAA CZ  1 ? 
ATOM   1959 N  NH1 . ARG A 1 245 ? 1.312   -1.975  22.529  1.000 9.223  ? 246 ARG AAA NH1 1 ? 
ATOM   1960 N  NH2 . ARG A 1 245 ? 3.514   -2.600  22.693  1.000 10.816 ? 246 ARG AAA NH2 1 ? 
ATOM   1961 N  N   . PRO A 1 246 ? 0.185   -8.896  20.292  1.000 10.510 ? 247 PRO AAA N   1 ? 
ATOM   1962 C  CA  . PRO A 1 246 ? -0.250  -9.701  21.433  1.000 11.506 ? 247 PRO AAA CA  1 ? 
ATOM   1963 C  C   . PRO A 1 246 ? -0.560  -8.892  22.694  1.000 10.409 ? 247 PRO AAA C   1 ? 
ATOM   1964 O  O   . PRO A 1 246 ? -0.286  -7.690  22.738  1.000 10.113 ? 247 PRO AAA O   1 ? 
ATOM   1965 C  CB  . PRO A 1 246 ? 0.913   -10.662 21.685  1.000 12.978 ? 247 PRO AAA CB  1 ? 
ATOM   1966 C  CG  . PRO A 1 246 ? 2.110   -10.042 21.030  1.000 13.383 ? 247 PRO AAA CG  1 ? 
ATOM   1967 C  CD  . PRO A 1 246 ? 1.618   -9.058  19.980  1.000 11.789 ? 247 PRO AAA CD  1 ? 
ATOM   1968 N  N   . ALA A 1 247 ? -1.203  -9.548  23.665  1.000 9.980  ? 248 ALA AAA N   1 ? 
ATOM   1969 C  CA  . ALA A 1 247 ? -1.583  -8.943  24.949  1.000 9.790  ? 248 ALA AAA CA  1 ? 
ATOM   1970 C  C   . ALA A 1 247 ? -0.341  -8.376  25.675  1.000 9.606  ? 248 ALA AAA C   1 ? 
ATOM   1971 O  O   . ALA A 1 247 ? 0.727   -9.021  25.715  1.000 13.058 ? 248 ALA AAA O   1 ? 
ATOM   1972 C  CB  . ALA A 1 247 ? -2.383  -9.939  25.789  1.000 10.601 ? 248 ALA AAA CB  1 ? 
ATOM   1973 N  N   . GLN A 1 248 ? -0.500  -7.165  26.220  1.000 9.994  ? 249 GLN AAA N   1 ? 
ATOM   1974 C  CA  . GLN A 1 248 ? 0.499   -6.364  26.958  1.000 9.652  ? 249 GLN AAA CA  1 ? 
ATOM   1975 C  C   . GLN A 1 248 ? 0.179   -6.392  28.449  1.000 11.453 ? 249 GLN AAA C   1 ? 
ATOM   1976 O  O   . GLN A 1 248 ? -0.950  -6.633  28.879  1.000 10.723 ? 249 GLN AAA O   1 ? 
ATOM   1977 C  CB  . GLN A 1 248 ? 0.564   -4.943  26.394  1.000 11.166 ? 249 GLN AAA CB  1 ? 
ATOM   1978 C  CG  . GLN A 1 248 ? 0.860   -4.910  24.897  1.000 11.459 ? 249 GLN AAA CG  1 ? 
ATOM   1979 C  CD  . GLN A 1 248 ? 2.187   -5.560  24.528  1.000 11.304 ? 249 GLN AAA CD  1 ? 
ATOM   1980 O  OE1 . GLN A 1 248 ? 3.238   -5.266  25.081  1.000 14.012 ? 249 GLN AAA OE1 1 ? 
ATOM   1981 N  NE2 . GLN A 1 248 ? 2.117   -6.522  23.635  1.000 12.899 ? 249 GLN AAA NE2 1 ? 
ATOM   1982 N  N   . PRO A 1 249 ? 1.195   -6.150  29.304  1.000 12.150 ? 250 PRO AAA N   1 ? 
ATOM   1983 C  CA  . PRO A 1 249 ? 0.932   -6.174  30.739  1.000 12.830 ? 250 PRO AAA CA  1 ? 
ATOM   1984 C  C   . PRO A 1 249 ? -0.126  -5.142  31.173  1.000 13.074 ? 250 PRO AAA C   1 ? 
ATOM   1985 O  O   . PRO A 1 249 ? -0.153  -4.006  30.717  1.000 13.352 ? 250 PRO AAA O   1 ? 
ATOM   1986 C  CB  . PRO A 1 249 ? 2.304   -5.861  31.370  1.000 14.487 ? 250 PRO AAA CB  1 ? 
ATOM   1987 C  CG  . PRO A 1 249 ? 3.338   -6.140  30.256  1.000 14.932 ? 250 PRO AAA CG  1 ? 
ATOM   1988 C  CD  . PRO A 1 249 ? 2.599   -5.843  28.970  1.000 12.316 ? 250 PRO AAA CD  1 ? 
ATOM   1989 N  N   . LEU A 1 250 ? -1.011  -5.576  32.054  1.000 14.627 ? 251 LEU AAA N   1 ? 
ATOM   1990 C  CA  . LEU A 1 250 ? -2.108  -4.725  32.564  1.000 13.653 ? 251 LEU AAA CA  1 ? 
ATOM   1991 C  C   . LEU A 1 250 ? -1.510  -3.652  33.466  1.000 13.802 ? 251 LEU AAA C   1 ? 
ATOM   1992 O  O   . LEU A 1 250 ? -2.021  -2.538  33.496  1.000 12.870 ? 251 LEU AAA O   1 ? 
ATOM   1993 C  CB  . LEU A 1 250 ? -3.126  -5.560  33.329  1.000 14.193 ? 251 LEU AAA CB  1 ? 
ATOM   1994 C  CG  . LEU A 1 250 ? -4.441  -4.862  33.616  1.000 16.096 ? 251 LEU AAA CG  1 ? 
ATOM   1995 C  CD1 . LEU A 1 250 ? -5.057  -4.254  32.354  1.000 15.799 ? 251 LEU AAA CD1 1 ? 
ATOM   1996 C  CD2 . LEU A 1 250 ? -5.384  -5.858  34.278  1.000 16.801 ? 251 LEU AAA CD2 1 ? 
ATOM   1997 N  N   . LYS A 1 251 ? -0.480  -3.971  34.232  1.000 15.550 ? 252 LYS AAA N   1 ? 
ATOM   1998 C  CA  . LYS A 1 251 ? 0.144   -3.001  35.180  1.000 16.177 ? 252 LYS AAA CA  1 ? 
ATOM   1999 C  C   . LYS A 1 251 ? -0.901  -2.499  36.176  1.000 17.269 ? 252 LYS AAA C   1 ? 
ATOM   2000 O  O   . LYS A 1 251 ? -1.679  -3.336  36.673  1.000 18.956 ? 252 LYS AAA O   1 ? 
ATOM   2001 C  CB  . LYS A 1 251 ? 0.893   -1.919  34.405  1.000 18.490 ? 252 LYS AAA CB  1 ? 
ATOM   2002 C  CG  . LYS A 1 251 ? 1.996   -2.530  33.549  1.000 20.895 ? 252 LYS AAA CG  1 ? 
ATOM   2003 C  CD  . LYS A 1 251 ? 3.066   -1.607  33.073  1.000 23.154 ? 252 LYS AAA CD  1 ? 
ATOM   2004 C  CE  . LYS A 1 251 ? 4.321   -2.360  32.713  1.000 25.406 ? 252 LYS AAA CE  1 ? 
ATOM   2005 N  NZ  . LYS A 1 251 ? 4.980   -1.670  31.585  1.000 26.864 ? 252 LYS AAA NZ  1 ? 
ATOM   2006 N  N   . ASN A 1 252 ? -0.924  -1.196  36.399  1.000 17.499 ? 253 ASN AAA N   1 ? 
ATOM   2007 C  CA  . ASN A 1 252 ? -1.744  -0.548  37.446  1.000 20.486 ? 253 ASN AAA CA  1 ? 
ATOM   2008 C  C   . ASN A 1 252 ? -3.053  -0.112  36.800  1.000 19.140 ? 253 ASN AAA C   1 ? 
ATOM   2009 O  O   . ASN A 1 252 ? -3.333  1.120   36.839  1.000 24.545 ? 253 ASN AAA O   1 ? 
ATOM   2010 C  CB  . ASN A 1 252 ? -1.049  0.652   38.104  1.000 22.429 ? 253 ASN AAA CB  1 ? 
ATOM   2011 C  CG  . ASN A 1 252 ? -1.769  1.148   39.354  1.000 28.371 ? 253 ASN AAA CG  1 ? 
ATOM   2012 O  OD1 . ASN A 1 252 ? -2.135  0.355   40.229  1.000 35.218 ? 253 ASN AAA OD1 1 ? 
ATOM   2013 N  ND2 . ASN A 1 252 ? -1.969  2.456   39.471  1.000 26.646 ? 253 ASN AAA ND2 1 ? 
ATOM   2014 N  N   . ARG A 1 253 ? -3.771  -1.066  36.196  1.000 15.323 ? 254 ARG AAA N   1 ? 
ATOM   2015 C  CA  . ARG A 1 253 ? -5.055  -0.797  35.522  1.000 14.445 ? 254 ARG AAA CA  1 ? 
ATOM   2016 C  C   . ARG A 1 253 ? -6.116  -1.797  35.936  1.000 14.611 ? 254 ARG AAA C   1 ? 
ATOM   2017 O  O   . ARG A 1 253 ? -5.803  -2.921  36.248  1.000 16.995 ? 254 ARG AAA O   1 ? 
ATOM   2018 C  CB  . ARG A 1 253 ? -4.886  -0.831  34.000  1.000 13.470 ? 254 ARG AAA CB  1 ? 
ATOM   2019 C  CG  . ARG A 1 253 ? -4.057  0.326   33.482  1.000 12.912 ? 254 ARG AAA CG  1 ? 
ATOM   2020 C  CD  . ARG A 1 253 ? -3.983  0.228   31.976  1.000 12.428 ? 254 ARG AAA CD  1 ? 
ATOM   2021 N  NE  . ARG A 1 253 ? -3.110  -0.842  31.523  1.000 11.852 ? 254 ARG AAA NE  1 ? 
ATOM   2022 C  CZ  . ARG A 1 253 ? -2.895  -1.141  30.232  1.000 10.436 ? 254 ARG AAA CZ  1 ? 
ATOM   2023 N  NH1 . ARG A 1 253 ? -3.504  -0.438  29.274  1.000 9.736  ? 254 ARG AAA NH1 1 ? 
ATOM   2024 N  NH2 . ARG A 1 253 ? -2.055  -2.117  29.920  1.000 9.838  ? 254 ARG AAA NH2 1 ? 
ATOM   2025 N  N   . GLN A 1 254 ? -7.351  -1.324  35.936  1.000 14.882 ? 255 GLN AAA N   1 ? 
ATOM   2026 C  CA  . GLN A 1 254 ? -8.567  -2.060  36.297  1.000 18.175 ? 255 GLN AAA CA  1 ? 
ATOM   2027 C  C   . GLN A 1 254 ? -9.468  -2.073  35.072  1.000 15.673 ? 255 GLN AAA C   1 ? 
ATOM   2028 O  O   . GLN A 1 254 ? -9.696  -1.009  34.443  1.000 18.639 ? 255 GLN AAA O   1 ? 
ATOM   2029 C  CB  . GLN A 1 254 ? -9.228  -1.389  37.512  1.000 24.038 ? 255 GLN AAA CB  1 ? 
ATOM   2030 C  CG  . GLN A 1 254 ? -8.764  -2.022  38.817  1.000 28.889 ? 255 GLN AAA CG  1 ? 
ATOM   2031 C  CD  . GLN A 1 254 ? -9.528  -1.552  40.027  1.000 34.324 ? 255 GLN AAA CD  1 ? 
ATOM   2032 O  OE1 . GLN A 1 254 ? -10.355 -0.641  39.959  1.000 42.323 ? 255 GLN AAA OE1 1 ? 
ATOM   2033 N  NE2 . GLN A 1 254 ? -9.224  -2.163  41.159  1.000 36.244 ? 255 GLN AAA NE2 1 ? 
ATOM   2034 N  N   . ILE A 1 255 ? -9.879  -3.263  34.697  1.000 13.325 ? 256 ILE AAA N   1 ? 
ATOM   2035 C  CA  . ILE A 1 255 ? -10.900 -3.458  33.638  1.000 13.063 ? 256 ILE AAA CA  1 ? 
ATOM   2036 C  C   . ILE A 1 255 ? -12.288 -3.481  34.293  1.000 12.665 ? 256 ILE AAA C   1 ? 
ATOM   2037 O  O   . ILE A 1 255 ? -12.487 -4.218  35.259  1.000 13.718 ? 256 ILE AAA O   1 ? 
ATOM   2038 C  CB  . ILE A 1 255 ? -10.577 -4.723  32.831  1.000 13.602 ? 256 ILE AAA CB  1 ? 
ATOM   2039 C  CG1 . ILE A 1 255 ? -9.196  -4.609  32.172  1.000 13.655 ? 256 ILE AAA CG1 1 ? 
ATOM   2040 C  CG2 . ILE A 1 255 ? -11.643 -5.004  31.786  1.000 13.661 ? 256 ILE AAA CG2 1 ? 
ATOM   2041 C  CD1 . ILE A 1 255 ? -8.761  -5.828  31.412  1.000 13.782 ? 256 ILE AAA CD1 1 ? 
ATOM   2042 N  N   . LYS A 1 256 ? -13.195 -2.671  33.753  1.000 13.059 ? 257 LYS AAA N   1 ? 
ATOM   2043 C  CA  . LYS A 1 256 ? -14.539 -2.414  34.330  1.000 13.712 ? 257 LYS AAA CA  1 ? 
ATOM   2044 C  C   . LYS A 1 256 ? -15.536 -3.085  33.390  1.000 13.236 ? 257 LYS AAA C   1 ? 
ATOM   2045 O  O   . LYS A 1 256 ? -15.337 -2.959  32.177  1.000 13.628 ? 257 LYS AAA O   1 ? 
ATOM   2046 C  CB  . LYS A 1 256 ? -14.775 -0.912  34.499  1.000 16.630 ? 257 LYS AAA CB  1 ? 
ATOM   2047 C  CG  . LYS A 1 256 ? -13.976 -0.261  35.620  1.000 21.656 ? 257 LYS AAA CG  1 ? 
ATOM   2048 C  CD  . LYS A 1 256 ? -14.194 -0.903  36.971  1.000 29.376 ? 257 LYS AAA CD  1 ? 
ATOM   2049 C  CE  . LYS A 1 256 ? -14.400 0.105   38.092  1.000 36.909 ? 257 LYS AAA CE  1 ? 
ATOM   2050 N  NZ  . LYS A 1 256 ? -14.328 -0.521  39.437  1.000 39.439 ? 257 LYS AAA NZ  1 ? 
ATOM   2051 N  N   . ALA A 1 257 ? -16.511 -3.821  33.925  1.000 12.617 ? 258 ALA AAA N   1 ? 
ATOM   2052 C  CA  . ALA A 1 257 ? -17.617 -4.424  33.158  1.000 12.626 ? 258 ALA AAA CA  1 ? 
ATOM   2053 C  C   . ALA A 1 257 ? -18.870 -3.545  33.245  1.000 13.960 ? 258 ALA AAA C   1 ? 
ATOM   2054 O  O   . ALA A 1 257 ? -19.226 -3.063  34.359  1.000 12.298 ? 258 ALA AAA O   1 ? 
ATOM   2055 C  CB  . ALA A 1 257 ? -17.839 -5.838  33.597  1.000 13.136 ? 258 ALA AAA CB  1 ? 
ATOM   2056 N  N   . SER A 1 258 ? -19.596 -3.418  32.142  1.000 12.100 ? 259 SER AAA N   1 ? 
ATOM   2057 C  CA  . SER A 1 258 ? -20.879 -2.676  32.093  1.000 13.061 ? 259 SER AAA CA  1 ? 
ATOM   2058 C  C   . SER A 1 258 ? -22.049 -3.519  32.603  1.000 13.739 ? 259 SER AAA C   1 ? 
ATOM   2059 O  O   . SER A 1 258 ? -23.156 -2.932  32.675  1.000 18.850 ? 259 SER AAA O   1 ? 
ATOM   2060 C  CB  . SER A 1 258 ? -21.156 -2.191  30.711  1.000 13.175 ? 259 SER AAA CB  1 ? 
ATOM   2061 O  OG  . SER A 1 258 ? -21.576 -3.238  29.851  1.000 12.894 ? 259 SER AAA OG  1 ? 
ATOM   2062 N  N   . PHE A 1 259 ? -21.841 -4.802  32.860  1.000 14.574 ? 260 PHE AAA N   1 ? 
ATOM   2063 C  CA  . PHE A 1 259 ? -22.903 -5.827  33.069  1.000 18.396 ? 260 PHE AAA CA  1 ? 
ATOM   2064 C  C   . PHE A 1 259 ? -22.528 -6.725  34.257  1.000 22.663 ? 260 PHE AAA C   1 ? 
ATOM   2065 O  O   . PHE A 1 259 ? -21.319 -6.891  34.545  1.000 25.237 ? 260 PHE AAA O   1 ? 
ATOM   2066 C  CB  . PHE A 1 259 ? -23.051 -6.687  31.808  1.000 17.870 ? 260 PHE AAA CB  1 ? 
ATOM   2067 C  CG  . PHE A 1 259 ? -21.769 -7.385  31.403  1.000 18.268 ? 260 PHE AAA CG  1 ? 
ATOM   2068 C  CD1 . PHE A 1 259 ? -20.817 -6.739  30.613  1.000 17.876 ? 260 PHE AAA CD1 1 ? 
ATOM   2069 C  CD2 . PHE A 1 259 ? -21.481 -8.665  31.859  1.000 19.802 ? 260 PHE AAA CD2 1 ? 
ATOM   2070 C  CE1 . PHE A 1 259 ? -19.650 -7.396  30.252  1.000 19.032 ? 260 PHE AAA CE1 1 ? 
ATOM   2071 C  CE2 . PHE A 1 259 ? -20.316 -9.316  31.490  1.000 20.817 ? 260 PHE AAA CE2 1 ? 
ATOM   2072 C  CZ  . PHE A 1 259 ? -19.390 -8.671  30.698  1.000 21.716 ? 260 PHE AAA CZ  1 ? 
ATOM   2073 N  N   . LYS A 1 260 ? -23.539 -7.321  34.896  1.000 30.232 ? 261 LYS AAA N   1 ? 
ATOM   2074 C  CA  . LYS A 1 260 ? -23.400 -8.246  36.063  1.000 33.608 ? 261 LYS AAA CA  1 ? 
ATOM   2075 C  C   . LYS A 1 260 ? -23.122 -9.668  35.557  1.000 39.642 ? 261 LYS AAA C   1 ? 
ATOM   2076 O  O   . LYS A 1 260 ? -23.973 -10.329 34.940  1.000 46.162 ? 261 LYS AAA O   1 ? 
ATOM   2077 C  CB  . LYS A 1 260 ? -24.651 -8.216  36.948  1.000 34.147 ? 261 LYS AAA CB  1 ? 
ATOM   2078 C  CG  . LYS A 1 260 ? -24.706 -7.083  37.967  1.000 35.634 ? 261 LYS AAA CG  1 ? 
ATOM   2079 O  OXT . LYS A 1 260 ? -22.023 -10.213 35.756  1.000 48.775 ? 261 LYS AAA OXT 1 ? 
HETATM 2080 C  C1  . GOL B 2 .   ? -4.179  -0.260  12.098  1.000 38.091 ? 301 GOL AAA C1  1 ? 
HETATM 2081 O  O1  . GOL B 2 .   ? -4.174  -0.029  13.514  1.000 32.431 ? 301 GOL AAA O1  1 ? 
HETATM 2082 C  C2  . GOL B 2 .   ? -4.950  0.825   11.362  1.000 34.543 ? 301 GOL AAA C2  1 ? 
HETATM 2083 O  O2  . GOL B 2 .   ? -4.981  0.565   9.961   1.000 27.346 ? 301 GOL AAA O2  1 ? 
HETATM 2084 C  C3  . GOL B 2 .   ? -4.405  2.213   11.605  1.000 37.658 ? 301 GOL AAA C3  1 ? 
HETATM 2085 O  O3  . GOL B 2 .   ? -5.124  3.203   10.880  1.000 37.980 ? 301 GOL AAA O3  1 ? 
HETATM 2086 ZN ZN  . ZN  C 3 .   ? -6.790  -1.691  15.441  1.000 7.251  ? 302 ZN  AAA ZN  1 ? 
HETATM 2087 C  C15 . XPI D 4 .   ? -1.858  5.971   13.470  1.000 47.871 ? 303 XPI AAA C15 1 ? 
HETATM 2088 C  C14 . XPI D 4 .   ? -3.624  3.424   14.950  1.000 15.388 ? 303 XPI AAA C14 1 ? 
HETATM 2089 C  C13 . XPI D 4 .   ? -4.075  2.292   15.617  1.000 11.523 ? 303 XPI AAA C13 1 ? 
HETATM 2090 C  C16 . XPI D 4 .   ? -1.156  6.878   12.503  1.000 56.065 ? 303 XPI AAA C16 1 ? 
HETATM 2091 C  C17 . XPI D 4 .   ? -0.227  7.902   13.127  1.000 67.207 ? 303 XPI AAA C17 1 ? 
HETATM 2092 C  C2  . XPI D 4 .   ? -3.433  7.217   12.379  1.000 42.746 ? 303 XPI AAA C2  1 ? 
HETATM 2093 C  C7  . XPI D 4 .   ? -6.276  3.243   15.707  1.000 12.213 ? 303 XPI AAA C7  1 ? 
HETATM 2094 C  C3  . XPI D 4 .   ? -3.168  6.178   13.381  1.000 39.768 ? 303 XPI AAA C3  1 ? 
HETATM 2095 N  N4  . XPI D 4 .   ? -4.248  5.673   13.989  1.000 28.706 ? 303 XPI AAA N4  1 ? 
HETATM 2096 C  C5  . XPI D 4 .   ? -4.495  4.455   14.657  1.000 18.262 ? 303 XPI AAA C5  1 ? 
HETATM 2097 C  C6  . XPI D 4 .   ? -5.818  4.358   15.041  1.000 15.888 ? 303 XPI AAA C6  1 ? 
HETATM 2098 O  O1  . XPI D 4 .   ? -4.474  7.702   12.001  1.000 40.526 ? 303 XPI AAA O1  1 ? 
HETATM 2099 C  C8  . XPI D 4 .   ? -5.403  2.212   15.996  1.000 10.979 ? 303 XPI AAA C8  1 ? 
HETATM 2100 S  S9  . XPI D 4 .   ? -5.995  0.847   16.945  1.000 8.554  ? 303 XPI AAA S9  1 ? 
HETATM 2101 O  O10 . XPI D 4 .   ? -5.437  0.955   18.254  1.000 9.064  ? 303 XPI AAA O10 1 ? 
HETATM 2102 N  N11 . XPI D 4 .   ? -5.447  -0.481  16.281  1.000 8.756  ? 303 XPI AAA N11 1 ? 
HETATM 2103 O  O12 . XPI D 4 .   ? -7.442  0.879   16.883  1.000 8.529  ? 303 XPI AAA O12 1 ? 
HETATM 2104 C  C18 . XPI D 4 .   ? 1.170   7.781   13.057  1.000 73.585 ? 303 XPI AAA C18 1 ? 
HETATM 2105 O  O19 . XPI D 4 .   ? 1.633   6.631   12.468  1.000 76.863 ? 303 XPI AAA O19 1 ? 
HETATM 2106 C  C20 . XPI D 4 .   ? 3.050   6.416   12.400  1.000 76.511 ? 303 XPI AAA C20 1 ? 
HETATM 2107 C  C21 . XPI D 4 .   ? 1.997   8.777   13.560  1.000 77.533 ? 303 XPI AAA C21 1 ? 
HETATM 2108 C  C22 . XPI D 4 .   ? 1.444   9.901   14.154  1.000 78.832 ? 303 XPI AAA C22 1 ? 
HETATM 2109 O  O23 . XPI D 4 .   ? 2.162   10.847  14.831  1.000 75.914 ? 303 XPI AAA O23 1 ? 
HETATM 2110 C  C24 . XPI D 4 .   ? 3.400   10.449  15.426  1.000 72.761 ? 303 XPI AAA C24 1 ? 
HETATM 2111 C  C25 . XPI D 4 .   ? 0.039   10.042  14.214  1.000 79.012 ? 303 XPI AAA C25 1 ? 
HETATM 2112 O  O26 . XPI D 4 .   ? -0.419  11.263  14.624  1.000 82.653 ? 303 XPI AAA O26 1 ? 
HETATM 2113 C  C27 . XPI D 4 .   ? -1.787  11.587  14.364  1.000 80.445 ? 303 XPI AAA C27 1 ? 
HETATM 2114 C  C28 . XPI D 4 .   ? -0.772  9.038   13.722  1.000 75.236 ? 303 XPI AAA C28 1 ? 
HETATM 2115 O  O29 . XPI D 4 .   ? -2.247  7.616   11.868  1.000 52.791 ? 303 XPI AAA O29 1 ? 
HETATM 2116 O  O   . HOH E 5 .   ? -0.064  0.918   -10.257 1.000 37.901 ? 401 HOH AAA O   1 ? 
HETATM 2117 O  O   . HOH E 5 .   ? -9.954  14.710  30.555  1.000 35.366 ? 402 HOH AAA O   1 ? 
HETATM 2118 O  O   . HOH E 5 .   ? -20.879 -7.206  -1.907  1.000 25.963 ? 403 HOH AAA O   1 ? 
HETATM 2119 O  O   . HOH E 5 .   ? -17.077 -12.336 36.031  1.000 40.325 ? 404 HOH AAA O   1 ? 
HETATM 2120 O  O   . HOH E 5 .   ? -11.183 -5.329  38.468  1.000 31.203 ? 405 HOH AAA O   1 ? 
HETATM 2121 O  O   . HOH E 5 .   ? -25.783 9.517   13.468  1.000 32.636 ? 406 HOH AAA O   1 ? 
HETATM 2122 O  O   . HOH E 5 .   ? 11.395  -7.194  22.481  1.000 24.829 ? 407 HOH AAA O   1 ? 
HETATM 2123 O  O   . HOH E 5 .   ? -22.969 -6.162  3.073   1.000 29.240 ? 408 HOH AAA O   1 ? 
HETATM 2124 O  O   . HOH E 5 .   ? 6.453   -14.748 6.117   1.000 46.685 ? 409 HOH AAA O   1 ? 
HETATM 2125 O  O   . HOH E 5 .   ? -4.223  21.173  14.765  1.000 25.001 ? 410 HOH AAA O   1 ? 
HETATM 2126 O  O   . HOH E 5 .   ? -1.427  -4.127  16.001  1.000 8.483  ? 411 HOH AAA O   1 ? 
HETATM 2127 O  O   . HOH E 5 .   ? -26.129 1.370   2.529   1.000 38.026 ? 412 HOH AAA O   1 ? 
HETATM 2128 O  O   . HOH E 5 .   ? -8.891  -3.906  8.050   1.000 10.020 ? 413 HOH AAA O   1 ? 
HETATM 2129 O  O   . HOH E 5 .   ? 3.417   5.013   30.128  1.000 19.714 ? 414 HOH AAA O   1 ? 
HETATM 2130 O  O   . HOH E 5 .   ? 1.090   0.516   -7.696  1.000 36.421 ? 415 HOH AAA O   1 ? 
HETATM 2131 O  O   . HOH E 5 .   ? -22.472 -18.590 13.714  1.000 32.492 ? 416 HOH AAA O   1 ? 
HETATM 2132 O  O   . HOH E 5 .   ? -7.270  -10.366 -4.515  1.000 28.304 ? 417 HOH AAA O   1 ? 
HETATM 2133 O  O   . HOH E 5 .   ? -0.357  14.248  16.593  1.000 26.652 ? 418 HOH AAA O   1 ? 
HETATM 2134 O  O   . HOH E 5 .   ? -14.734 -18.747 19.032  1.000 21.784 ? 419 HOH AAA O   1 ? 
HETATM 2135 O  O   . HOH E 5 .   ? -23.951 -11.260 32.500  1.000 38.863 ? 420 HOH AAA O   1 ? 
HETATM 2136 O  O   . HOH E 5 .   ? -1.470  9.194   28.271  1.000 23.625 ? 421 HOH AAA O   1 ? 
HETATM 2137 O  O   . HOH E 5 .   ? -20.211 -16.593 3.092   1.000 25.044 ? 422 HOH AAA O   1 ? 
HETATM 2138 O  O   . HOH E 5 .   ? -24.127 -3.009  29.309  1.000 30.183 ? 423 HOH AAA O   1 ? 
HETATM 2139 O  O   . HOH E 5 .   ? -15.573 -21.854 13.408  1.000 23.728 ? 424 HOH AAA O   1 ? 
HETATM 2140 O  O   . HOH E 5 .   ? -18.579 2.328   40.713  1.000 38.714 ? 425 HOH AAA O   1 ? 
HETATM 2141 O  O   . HOH E 5 .   ? -13.394 -5.984  -5.709  1.000 29.190 ? 426 HOH AAA O   1 ? 
HETATM 2142 O  O   . HOH E 5 .   ? -10.882 -19.850 7.758   1.000 34.105 ? 427 HOH AAA O   1 ? 
HETATM 2143 O  O   . HOH E 5 .   ? -6.898  -20.334 19.821  1.000 16.177 ? 428 HOH AAA O   1 ? 
HETATM 2144 O  O   . HOH E 5 .   ? -4.659  -13.419 18.332  1.000 10.887 ? 429 HOH AAA O   1 ? 
HETATM 2145 O  O   . HOH E 5 .   ? -25.105 4.626   8.697   1.000 31.718 ? 430 HOH AAA O   1 ? 
HETATM 2146 O  O   . HOH E 5 .   ? -6.302  -4.654  -6.275  1.000 23.403 ? 431 HOH AAA O   1 ? 
HETATM 2147 O  O   . HOH E 5 .   ? -25.943 -4.970  13.717  1.000 25.313 ? 432 HOH AAA O   1 ? 
HETATM 2148 O  O   . HOH E 5 .   ? -2.946  -17.983 31.553  1.000 33.487 ? 433 HOH AAA O   1 ? 
HETATM 2149 O  O   . HOH E 5 .   ? 2.035   8.076   27.953  1.000 35.481 ? 434 HOH AAA O   1 ? 
HETATM 2150 O  O   . HOH E 5 .   ? -21.353 7.741   1.941   1.000 19.713 ? 435 HOH AAA O   1 ? 
HETATM 2151 O  O   . HOH E 5 .   ? -14.804 20.282  17.770  1.000 21.987 ? 436 HOH AAA O   1 ? 
HETATM 2152 O  O   . HOH E 5 .   ? -10.872 8.717   25.660  1.000 14.928 ? 437 HOH AAA O   1 ? 
HETATM 2153 O  O   . HOH E 5 .   ? -24.996 -7.674  9.432   1.000 19.410 ? 438 HOH AAA O   1 ? 
HETATM 2154 O  O   . HOH E 5 .   ? -26.045 -6.872  34.117  1.000 38.102 ? 439 HOH AAA O   1 ? 
HETATM 2155 O  O   . HOH E 5 .   ? -0.002  -1.157  -4.616  1.000 20.067 ? 440 HOH AAA O   1 ? 
HETATM 2156 O  O   . HOH E 5 .   ? -21.732 -7.147  23.857  1.000 14.539 ? 441 HOH AAA O   1 ? 
HETATM 2157 O  O   . HOH E 5 .   ? -15.585 0.508   -4.770  1.000 25.313 ? 442 HOH AAA O   1 ? 
HETATM 2158 O  O   . HOH E 5 .   ? -10.609 -18.317 17.579  1.000 18.504 ? 443 HOH AAA O   1 ? 
HETATM 2159 O  O   . HOH E 5 .   ? -14.411 -16.704 29.309  1.000 19.319 ? 444 HOH AAA O   1 ? 
HETATM 2160 O  O   . HOH E 5 .   ? -32.130 -10.712 16.297  1.000 24.800 ? 445 HOH AAA O   1 ? 
HETATM 2161 O  O   . HOH E 5 .   ? -13.460 20.241  15.135  1.000 24.245 ? 446 HOH AAA O   1 ? 
HETATM 2162 O  O   . HOH E 5 .   ? -19.880 -4.384  41.396  1.000 34.370 ? 447 HOH AAA O   1 ? 
HETATM 2163 O  O   . HOH E 5 .   ? -19.513 17.389  5.869   1.000 29.841 ? 448 HOH AAA O   1 ? 
HETATM 2164 O  O   . HOH E 5 .   ? -24.161 8.732   20.365  1.000 26.074 ? 449 HOH AAA O   1 ? 
HETATM 2165 O  O   . HOH E 5 .   ? -2.748  -8.549  29.459  1.000 13.063 ? 450 HOH AAA O   1 ? 
HETATM 2166 O  O   . HOH E 5 .   ? 13.896  2.072   22.680  1.000 24.818 ? 451 HOH AAA O   1 ? 
HETATM 2167 O  O   . HOH E 5 .   ? 8.553   -3.914  21.290  1.000 15.281 ? 452 HOH AAA O   1 ? 
HETATM 2168 O  O   . HOH E 5 .   ? -18.129 10.517  11.314  1.000 20.511 ? 453 HOH AAA O   1 ? 
HETATM 2169 O  O   . HOH E 5 .   ? -13.952 10.519  27.955  1.000 17.778 ? 454 HOH AAA O   1 ? 
HETATM 2170 O  O   . HOH E 5 .   ? -8.851  0.419   -6.384  1.000 31.745 ? 455 HOH AAA O   1 ? 
HETATM 2171 O  O   . HOH E 5 .   ? -16.267 -12.324 24.521  1.000 19.055 ? 456 HOH AAA O   1 ? 
HETATM 2172 O  O   . HOH E 5 .   ? -20.766 8.484   30.030  1.000 30.254 ? 457 HOH AAA O   1 ? 
HETATM 2173 O  O   . HOH E 5 .   ? -16.466 -15.819 33.066  1.000 33.191 ? 458 HOH AAA O   1 ? 
HETATM 2174 O  O   . HOH E 5 .   ? -17.412 -16.420 22.347  1.000 23.611 ? 459 HOH AAA O   1 ? 
HETATM 2175 O  O   . HOH E 5 .   ? -23.486 -11.215 17.312  1.000 26.868 ? 460 HOH AAA O   1 ? 
HETATM 2176 O  O   . HOH E 5 .   ? -22.059 5.686   4.821   1.000 15.483 ? 461 HOH AAA O   1 ? 
HETATM 2177 O  O   . HOH E 5 .   ? -18.566 -3.669  -2.398  1.000 21.907 ? 462 HOH AAA O   1 ? 
HETATM 2178 O  O   . HOH E 5 .   ? -7.422  -16.968 1.785   1.000 25.033 ? 463 HOH AAA O   1 ? 
HETATM 2179 O  O   . HOH E 5 .   ? -23.573 -0.243  32.560  1.000 28.443 ? 464 HOH AAA O   1 ? 
HETATM 2180 O  O   . HOH E 5 .   ? -24.951 5.632   6.444   1.000 47.381 ? 465 HOH AAA O   1 ? 
HETATM 2181 O  O   . HOH E 5 .   ? -18.873 12.428  12.900  1.000 26.802 ? 466 HOH AAA O   1 ? 
HETATM 2182 O  O   . HOH E 5 .   ? -12.921 7.866   28.868  1.000 26.765 ? 467 HOH AAA O   1 ? 
HETATM 2183 O  O   . HOH E 5 .   ? -3.210  18.030  14.412  1.000 24.885 ? 468 HOH AAA O   1 ? 
HETATM 2184 O  O   . HOH E 5 .   ? -8.056  -15.552 11.647  1.000 11.809 ? 469 HOH AAA O   1 ? 
HETATM 2185 O  O   . HOH E 5 .   ? -19.544 10.031  8.947   1.000 14.671 ? 470 HOH AAA O   1 ? 
HETATM 2186 O  O   . HOH E 5 .   ? 0.979   14.553  24.468  1.000 40.300 ? 471 HOH AAA O   1 ? 
HETATM 2187 O  O   . HOH E 5 .   ? -27.735 -11.593 16.533  1.000 41.727 ? 472 HOH AAA O   1 ? 
HETATM 2188 O  O   . HOH E 5 .   ? -3.645  -13.041 -2.588  1.000 28.389 ? 473 HOH AAA O   1 ? 
HETATM 2189 O  O   . HOH E 5 .   ? -28.135 6.068   21.634  1.000 27.473 ? 474 HOH AAA O   1 ? 
HETATM 2190 O  O   . HOH E 5 .   ? -2.455  -1.780  -11.298 1.000 52.113 ? 475 HOH AAA O   1 ? 
HETATM 2191 O  O   . HOH E 5 .   ? -23.397 -3.098  6.881   1.000 19.677 ? 476 HOH AAA O   1 ? 
HETATM 2192 O  O   . HOH E 5 .   ? 11.012  1.090   26.002  1.000 26.764 ? 477 HOH AAA O   1 ? 
HETATM 2193 O  O   . HOH E 5 .   ? 16.015  3.639   15.618  1.000 20.584 ? 478 HOH AAA O   1 ? 
HETATM 2194 O  O   . HOH E 5 .   ? -23.456 -13.378 11.434  1.000 25.566 ? 479 HOH AAA O   1 ? 
HETATM 2195 O  O   . HOH E 5 .   ? 6.051   -12.554 -5.050  1.000 27.862 ? 480 HOH AAA O   1 ? 
HETATM 2196 O  O   . HOH E 5 .   ? -13.971 14.211  27.473  1.000 25.834 ? 481 HOH AAA O   1 ? 
HETATM 2197 O  O   . HOH E 5 .   ? -17.262 -8.441  20.620  1.000 9.556  ? 482 HOH AAA O   1 ? 
HETATM 2198 O  O   . HOH E 5 .   ? -26.380 -7.551  30.645  1.000 36.460 ? 483 HOH AAA O   1 ? 
HETATM 2199 O  O   . HOH E 5 .   ? -7.055  5.710   6.740   1.000 21.628 ? 484 HOH AAA O   1 ? 
HETATM 2200 O  O   . HOH E 5 .   ? -13.573 -1.028  -5.966  1.000 29.018 ? 485 HOH AAA O   1 ? 
HETATM 2201 O  O   . HOH E 5 .   ? 5.369   7.080   20.506  1.000 17.471 ? 486 HOH AAA O   1 ? 
HETATM 2202 O  O   . HOH E 5 .   ? -25.882 -8.911  11.505  1.000 26.110 ? 487 HOH AAA O   1 ? 
HETATM 2203 O  O   . HOH E 5 .   ? -2.610  -3.389  11.591  1.000 16.640 ? 488 HOH AAA O   1 ? 
HETATM 2204 O  O   . HOH E 5 .   ? -13.001 -16.998 26.977  1.000 18.575 ? 489 HOH AAA O   1 ? 
HETATM 2205 O  O   . HOH E 5 .   ? -16.266 16.014  23.736  1.000 23.977 ? 490 HOH AAA O   1 ? 
HETATM 2206 O  O   . HOH E 5 .   ? -23.785 -18.031 6.489   1.000 28.704 ? 491 HOH AAA O   1 ? 
HETATM 2207 O  O   . HOH E 5 .   ? -15.841 8.685   -2.231  1.000 30.558 ? 492 HOH AAA O   1 ? 
HETATM 2208 O  O   . HOH E 5 .   ? -8.843  -15.563 37.181  1.000 23.738 ? 493 HOH AAA O   1 ? 
HETATM 2209 O  O   . HOH E 5 .   ? -17.935 20.903  8.227   1.000 18.459 ? 494 HOH AAA O   1 ? 
HETATM 2210 O  O   . HOH E 5 .   ? -23.491 11.291  26.680  1.000 39.123 ? 495 HOH AAA O   1 ? 
HETATM 2211 O  O   . HOH E 5 .   ? -3.676  -11.206 21.127  1.000 12.898 ? 496 HOH AAA O   1 ? 
HETATM 2212 O  O   . HOH E 5 .   ? -20.641 13.878  28.625  1.000 27.625 ? 497 HOH AAA O   1 ? 
HETATM 2213 O  O   . HOH E 5 .   ? -9.326  -10.097 -0.964  1.000 21.253 ? 498 HOH AAA O   1 ? 
HETATM 2214 O  O   . HOH E 5 .   ? -9.141  6.117   29.243  1.000 19.723 ? 499 HOH AAA O   1 ? 
HETATM 2215 O  O   . HOH E 5 .   ? -17.151 -15.696 -4.238  1.000 45.490 ? 500 HOH AAA O   1 ? 
HETATM 2216 O  O   . HOH E 5 .   ? -10.677 -19.563 20.142  1.000 24.345 ? 501 HOH AAA O   1 ? 
HETATM 2217 O  O   . HOH E 5 .   ? -3.566  -13.269 25.439  1.000 13.473 ? 502 HOH AAA O   1 ? 
HETATM 2218 O  O   . HOH E 5 .   ? 4.816   -4.836  21.154  1.000 13.841 ? 503 HOH AAA O   1 ? 
HETATM 2219 O  O   . HOH E 5 .   ? -27.138 -4.022  25.061  1.000 20.618 ? 504 HOH AAA O   1 ? 
HETATM 2220 O  O   . HOH E 5 .   ? -0.686  10.730  23.831  1.000 22.790 ? 505 HOH AAA O   1 ? 
HETATM 2221 O  O   . HOH E 5 .   ? -22.831 -15.264 17.137  1.000 48.363 ? 506 HOH AAA O   1 ? 
HETATM 2222 O  O   . HOH E 5 .   ? 15.950  2.772   21.099  1.000 17.715 ? 507 HOH AAA O   1 ? 
HETATM 2223 O  O   . HOH E 5 .   ? -18.902 -12.723 -3.478  1.000 27.421 ? 508 HOH AAA O   1 ? 
HETATM 2224 O  O   . HOH E 5 .   ? -12.221 10.661  5.670   1.000 21.863 ? 509 HOH AAA O   1 ? 
HETATM 2225 O  O   . HOH E 5 .   ? -13.452 -18.604 14.869  1.000 19.072 ? 510 HOH AAA O   1 ? 
HETATM 2226 O  O   . HOH E 5 .   ? -9.166  -5.614  36.199  1.000 22.623 ? 511 HOH AAA O   1 ? 
HETATM 2227 O  O   . HOH E 5 .   ? -12.066 9.322   3.182   1.000 21.637 ? 512 HOH AAA O   1 ? 
HETATM 2228 O  O   . HOH E 5 .   ? -5.709  3.232   -5.599  1.000 29.763 ? 513 HOH AAA O   1 ? 
HETATM 2229 O  O   . HOH E 5 .   ? 2.453   -11.365 9.799   1.000 22.572 ? 514 HOH AAA O   1 ? 
HETATM 2230 O  O   . HOH E 5 .   ? 1.122   -1.529  29.616  1.000 13.852 ? 515 HOH AAA O   1 ? 
HETATM 2231 O  O   . HOH E 5 .   ? -8.218  -19.292 21.948  1.000 20.210 ? 516 HOH AAA O   1 ? 
HETATM 2232 O  O   . HOH E 5 .   ? 14.196  5.470   19.248  1.000 27.169 ? 517 HOH AAA O   1 ? 
HETATM 2233 O  O   . HOH E 5 .   ? -24.045 -0.777  26.872  1.000 34.207 ? 518 HOH AAA O   1 ? 
HETATM 2234 O  O   . HOH E 5 .   ? 13.172  -5.941  24.623  1.000 24.140 ? 519 HOH AAA O   1 ? 
HETATM 2235 O  O   . HOH E 5 .   ? 1.861   17.143  23.121  1.000 46.643 ? 520 HOH AAA O   1 ? 
HETATM 2236 O  O   . HOH E 5 .   ? 1.432   -6.097  34.740  1.000 26.909 ? 521 HOH AAA O   1 ? 
HETATM 2237 O  O   . HOH E 5 .   ? -12.076 2.771   31.039  1.000 16.459 ? 522 HOH AAA O   1 ? 
HETATM 2238 O  O   . HOH E 5 .   ? -16.337 -10.039 33.218  1.000 19.264 ? 523 HOH AAA O   1 ? 
HETATM 2239 O  O   . HOH E 5 .   ? 1.187   8.776   24.752  1.000 19.818 ? 524 HOH AAA O   1 ? 
HETATM 2240 O  O   . HOH E 5 .   ? -30.139 14.240  8.093   1.000 36.269 ? 525 HOH AAA O   1 ? 
HETATM 2241 O  O   . HOH E 5 .   ? -8.774  -22.218 10.732  1.000 23.230 ? 526 HOH AAA O   1 ? 
HETATM 2242 O  O   . HOH E 5 .   ? -24.136 -0.859  4.118   1.000 19.434 ? 527 HOH AAA O   1 ? 
HETATM 2243 O  O   . HOH E 5 .   ? -2.268  -12.248 23.213  1.000 12.907 ? 528 HOH AAA O   1 ? 
HETATM 2244 O  O   . HOH E 5 .   ? -11.400 1.233   33.583  1.000 18.954 ? 529 HOH AAA O   1 ? 
HETATM 2245 O  O   . HOH E 5 .   ? -23.213 -11.620 14.220  1.000 17.604 ? 530 HOH AAA O   1 ? 
HETATM 2246 O  O   . HOH E 5 .   ? -7.748  8.273   29.997  1.000 28.343 ? 531 HOH AAA O   1 ? 
HETATM 2247 O  O   . HOH E 5 .   ? 3.217   17.528  19.355  1.000 56.544 ? 532 HOH AAA O   1 ? 
HETATM 2248 O  O   . HOH E 5 .   ? -31.653 4.074   8.596   1.000 31.897 ? 533 HOH AAA O   1 ? 
HETATM 2249 O  O   . HOH E 5 .   ? -12.996 3.499   -6.815  1.000 24.265 ? 534 HOH AAA O   1 ? 
HETATM 2250 O  O   . HOH E 5 .   ? -12.810 13.358  33.105  1.000 44.555 ? 535 HOH AAA O   1 ? 
HETATM 2251 O  O   . HOH E 5 .   ? -28.098 4.165   23.673  1.000 32.559 ? 536 HOH AAA O   1 ? 
HETATM 2252 O  O   . HOH E 5 .   ? 4.203   -6.734  7.945   1.000 18.637 ? 537 HOH AAA O   1 ? 
HETATM 2253 O  O   . HOH E 5 .   ? -9.785  -8.014  34.458  1.000 24.291 ? 538 HOH AAA O   1 ? 
HETATM 2254 O  O   . HOH E 5 .   ? -9.579  15.360  12.218  1.000 24.759 ? 539 HOH AAA O   1 ? 
HETATM 2255 O  O   . HOH E 5 .   ? 14.854  -10.272 14.486  1.000 33.950 ? 540 HOH AAA O   1 ? 
HETATM 2256 O  O   . HOH E 5 .   ? 8.089   3.642   27.994  1.000 37.807 ? 541 HOH AAA O   1 ? 
HETATM 2257 O  O   . HOH E 5 .   ? -10.530 8.525   7.677   1.000 27.897 ? 542 HOH AAA O   1 ? 
HETATM 2258 O  O   . HOH E 5 .   ? -5.709  15.693  12.197  1.000 22.816 ? 543 HOH AAA O   1 ? 
HETATM 2259 O  O   . HOH E 5 .   ? 7.530   6.018   21.842  1.000 15.590 ? 544 HOH AAA O   1 ? 
HETATM 2260 O  O   . HOH E 5 .   ? -7.031  8.610   10.534  1.000 30.229 ? 545 HOH AAA O   1 ? 
HETATM 2261 O  O   . HOH E 5 .   ? -26.371 3.439   33.762  1.000 46.988 ? 546 HOH AAA O   1 ? 
HETATM 2262 O  O   . HOH E 5 .   ? -7.525  1.716   35.310  1.000 22.472 ? 547 HOH AAA O   1 ? 
HETATM 2263 O  O   . HOH E 5 .   ? -27.548 -12.843 21.605  1.000 51.125 ? 548 HOH AAA O   1 ? 
HETATM 2264 O  O   . HOH E 5 .   ? -11.177 17.790  12.217  1.000 27.438 ? 549 HOH AAA O   1 ? 
HETATM 2265 O  O   . HOH E 5 .   ? -18.745 3.454   -3.712  1.000 26.679 ? 550 HOH AAA O   1 ? 
HETATM 2266 O  O   . HOH E 5 .   ? -7.323  -8.799  -2.283  1.000 26.565 ? 551 HOH AAA O   1 ? 
HETATM 2267 O  O   . HOH E 5 .   ? 9.677   -0.267  30.865  1.000 43.556 ? 552 HOH AAA O   1 ? 
HETATM 2268 O  O   . HOH E 5 .   ? -25.229 12.454  6.511   1.000 47.553 ? 553 HOH AAA O   1 ? 
HETATM 2269 O  O   . HOH E 5 .   ? -4.668  -1.548  40.601  1.000 53.525 ? 554 HOH AAA O   1 ? 
HETATM 2270 O  O   . HOH E 5 .   ? -19.638 1.231   -2.222  1.000 36.549 ? 555 HOH AAA O   1 ? 
HETATM 2271 O  O   . HOH E 5 .   ? -17.702 19.887  17.626  1.000 25.128 ? 556 HOH AAA O   1 ? 
HETATM 2272 O  O   . HOH E 5 .   ? -1.617  1.178   10.052  1.000 57.639 ? 557 HOH AAA O   1 ? 
HETATM 2273 O  O   . HOH E 5 .   ? -7.163  -5.566  37.691  1.000 27.748 ? 558 HOH AAA O   1 ? 
HETATM 2274 O  O   . HOH E 5 .   ? -12.975 -17.303 17.215  1.000 16.432 ? 559 HOH AAA O   1 ? 
HETATM 2275 O  O   . HOH E 5 .   ? -26.725 11.996  13.117  1.000 46.043 ? 560 HOH AAA O   1 ? 
HETATM 2276 O  O   . HOH E 5 .   ? 12.103  -6.930  27.652  1.000 55.930 ? 561 HOH AAA O   1 ? 
HETATM 2277 O  O   . HOH E 5 .   ? -17.842 -8.829  35.250  1.000 31.997 ? 562 HOH AAA O   1 ? 
HETATM 2278 O  O   . HOH E 5 .   ? 7.449   -3.850  -10.674 1.000 21.125 ? 563 HOH AAA O   1 ? 
HETATM 2279 O  O   . HOH E 5 .   ? -16.075 3.086   -8.062  1.000 51.145 ? 564 HOH AAA O   1 ? 
HETATM 2280 O  O   . HOH E 5 .   ? -20.892 -12.432 33.315  1.000 39.245 ? 565 HOH AAA O   1 ? 
HETATM 2281 O  O   . HOH E 5 .   ? 2.907   -4.314  -12.231 1.000 31.822 ? 566 HOH AAA O   1 ? 
HETATM 2282 O  O   . HOH E 5 .   ? -28.012 10.953  19.483  1.000 43.306 ? 567 HOH AAA O   1 ? 
HETATM 2283 O  O   . HOH E 5 .   ? -1.607  -1.275  -13.646 1.000 52.550 ? 568 HOH AAA O   1 ? 
HETATM 2284 O  O   . HOH E 5 .   ? -28.254 -9.152  25.448  1.000 37.571 ? 569 HOH AAA O   1 ? 
HETATM 2285 O  O   . HOH E 5 .   ? -9.799  -5.177  -8.967  1.000 36.039 ? 570 HOH AAA O   1 ? 
HETATM 2286 O  O   . HOH E 5 .   ? -16.849 -18.361 20.453  1.000 25.928 ? 571 HOH AAA O   1 ? 
HETATM 2287 O  O   . HOH E 5 .   ? -25.259 11.362  20.085  1.000 37.210 ? 572 HOH AAA O   1 ? 
HETATM 2288 O  O   . HOH E 5 .   ? -20.112 -15.995 22.036  1.000 36.049 ? 573 HOH AAA O   1 ? 
HETATM 2289 O  O   . HOH E 5 .   ? -10.765 4.999   31.212  1.000 25.077 ? 574 HOH AAA O   1 ? 
HETATM 2290 O  O   . HOH E 5 .   ? -17.057 -14.002 26.531  1.000 23.326 ? 575 HOH AAA O   1 ? 
HETATM 2291 O  O   . HOH E 5 .   ? -16.030 16.910  27.044  1.000 32.679 ? 576 HOH AAA O   1 ? 
HETATM 2292 O  O   . HOH E 5 .   ? -17.026 -13.974 38.443  1.000 38.775 ? 577 HOH AAA O   1 ? 
HETATM 2293 O  O   . HOH E 5 .   ? -8.704  -7.507  -9.738  1.000 40.148 ? 578 HOH AAA O   1 ? 
HETATM 2294 O  O   . HOH E 5 .   ? 5.567   -14.059 8.618   1.000 31.035 ? 579 HOH AAA O   1 ? 
HETATM 2295 O  O   . HOH E 5 .   ? 1.650   12.413  22.938  1.000 34.367 ? 580 HOH AAA O   1 ? 
HETATM 2296 O  O   . HOH E 5 .   ? -30.765 -9.725  26.245  1.000 49.922 ? 581 HOH AAA O   1 ? 
HETATM 2297 O  O   . HOH E 5 .   ? 2.578   6.469   32.431  1.000 35.600 ? 582 HOH AAA O   1 ? 
HETATM 2298 O  O   . HOH E 5 .   ? -1.922  -17.206 26.097  1.000 25.667 ? 583 HOH AAA O   1 ? 
HETATM 2299 O  O   . HOH E 5 .   ? -8.149  7.458   8.669   1.000 27.969 ? 584 HOH AAA O   1 ? 
HETATM 2300 O  O   . HOH E 5 .   ? -4.071  -15.495 -1.868  1.000 42.928 ? 585 HOH AAA O   1 ? 
HETATM 2301 O  O   . HOH E 5 .   ? -12.026 10.606  0.835   1.000 24.183 ? 586 HOH AAA O   1 ? 
HETATM 2302 O  O   . HOH E 5 .   ? 2.046   13.041  20.624  1.000 37.787 ? 587 HOH AAA O   1 ? 
HETATM 2303 O  O   . HOH E 5 .   ? -18.192 -12.009 31.691  1.000 24.921 ? 588 HOH AAA O   1 ? 
HETATM 2304 O  O   . HOH E 5 .   ? -12.461 13.231  4.470   1.000 33.395 ? 589 HOH AAA O   1 ? 
HETATM 2305 O  O   . HOH E 5 .   ? -13.054 -19.478 26.397  1.000 29.475 ? 590 HOH AAA O   1 ? 
HETATM 2306 O  O   . HOH E 5 .   ? 4.872   15.321  18.829  1.000 50.904 ? 591 HOH AAA O   1 ? 
HETATM 2307 O  O   . HOH E 5 .   ? 12.220  -7.475  -2.124  1.000 36.053 ? 592 HOH AAA O   1 ? 
HETATM 2308 O  O   . HOH E 5 .   ? 3.507   10.037  23.845  1.000 30.586 ? 593 HOH AAA O   1 ? 
# 
