data_8Z3J
# 
_entry.id   8Z3J 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_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   8Z3J         pdb_00008z3j 10.2210/pdb8z3j/pdb 
WWPDB D_1300046957 ?            ?                   
# 
_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       2025-04-23 
_pdbx_audit_revision_history.part_number         ? 
# 
_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                        8Z3J 
_pdbx_database_status.recvd_initial_deposition_date   2024-04-15 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBC 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              nxzhang@simm.ac.cn 
_pdbx_contact_author.name_first         Zhang 
_pdbx_contact_author.name_last          Naixia 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-4824-5819 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Shi, L.'   1 ? 
'Zhong, Y.' 2 ? 
'Tang, J.'  3 ? 
'Xu, Z.'    4 ? 
'Zhang, N.' 5 ? 
# 
_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                     
'Benzbromarone interferes with the interaction between Hsp90 and Aha1 by interacting with both of them' 
_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 'Zhong, Y.' 1 ? 
primary 'Shi, L.'   2 ? 
# 
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 'Activator of 90 kDa heat shock protein ATPase homolog 1'                    15185.155 1  ? ? ? pET15b 
2 non-polymer syn '[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone' 424.083   1  ? ? ? ?      
3 water       nat water                                                                        18.015    78 ? ? ? ?      
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        AHA1,p38 
# 
_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       
;IPTCKITLKETFLTSPEELYRVFTTQELVQAFTHAPATLEADRGGKFHMVDGNVSGEFTDLVPEKHIVMKWRFKSWPEGH
FATITLTFIDKNGETELCMEGRGIPAPEEERTRQGWQRYYFEGIKQTFGYGA
;
_entity_poly.pdbx_seq_one_letter_code_can   
;IPTCKITLKETFLTSPEELYRVFTTQELVQAFTHAPATLEADRGGKFHMVDGNVSGEFTDLVPEKHIVMKWRFKSWPEGH
FATITLTFIDKNGETELCMEGRGIPAPEEERTRQGWQRYYFEGIKQTFGYGA
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone' R75 
3 water                                                                        HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ILE n 
1 2   PRO n 
1 3   THR n 
1 4   CYS n 
1 5   LYS n 
1 6   ILE n 
1 7   THR n 
1 8   LEU n 
1 9   LYS n 
1 10  GLU n 
1 11  THR n 
1 12  PHE n 
1 13  LEU n 
1 14  THR n 
1 15  SER n 
1 16  PRO n 
1 17  GLU n 
1 18  GLU n 
1 19  LEU n 
1 20  TYR n 
1 21  ARG n 
1 22  VAL n 
1 23  PHE n 
1 24  THR n 
1 25  THR n 
1 26  GLN n 
1 27  GLU n 
1 28  LEU n 
1 29  VAL n 
1 30  GLN n 
1 31  ALA n 
1 32  PHE n 
1 33  THR n 
1 34  HIS n 
1 35  ALA n 
1 36  PRO n 
1 37  ALA n 
1 38  THR n 
1 39  LEU n 
1 40  GLU n 
1 41  ALA n 
1 42  ASP n 
1 43  ARG n 
1 44  GLY n 
1 45  GLY n 
1 46  LYS n 
1 47  PHE n 
1 48  HIS n 
1 49  MET n 
1 50  VAL n 
1 51  ASP n 
1 52  GLY n 
1 53  ASN n 
1 54  VAL n 
1 55  SER n 
1 56  GLY n 
1 57  GLU n 
1 58  PHE n 
1 59  THR n 
1 60  ASP n 
1 61  LEU n 
1 62  VAL n 
1 63  PRO n 
1 64  GLU n 
1 65  LYS n 
1 66  HIS n 
1 67  ILE n 
1 68  VAL n 
1 69  MET n 
1 70  LYS n 
1 71  TRP n 
1 72  ARG n 
1 73  PHE n 
1 74  LYS n 
1 75  SER n 
1 76  TRP n 
1 77  PRO n 
1 78  GLU n 
1 79  GLY n 
1 80  HIS n 
1 81  PHE n 
1 82  ALA n 
1 83  THR n 
1 84  ILE n 
1 85  THR n 
1 86  LEU n 
1 87  THR n 
1 88  PHE n 
1 89  ILE n 
1 90  ASP n 
1 91  LYS n 
1 92  ASN n 
1 93  GLY n 
1 94  GLU n 
1 95  THR n 
1 96  GLU n 
1 97  LEU n 
1 98  CYS n 
1 99  MET n 
1 100 GLU n 
1 101 GLY n 
1 102 ARG n 
1 103 GLY n 
1 104 ILE n 
1 105 PRO n 
1 106 ALA n 
1 107 PRO n 
1 108 GLU n 
1 109 GLU n 
1 110 GLU n 
1 111 ARG n 
1 112 THR n 
1 113 ARG n 
1 114 GLN n 
1 115 GLY n 
1 116 TRP n 
1 117 GLN n 
1 118 ARG n 
1 119 TYR n 
1 120 TYR n 
1 121 PHE n 
1 122 GLU n 
1 123 GLY n 
1 124 ILE n 
1 125 LYS n 
1 126 GLN n 
1 127 THR n 
1 128 PHE n 
1 129 GLY n 
1 130 TYR n 
1 131 GLY n 
1 132 ALA 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                   132 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'AHSA1, C14orf3, HSPC322' 
_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  
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 
R75 non-polymer         . '[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone' Benzbromarone 
'C17 H12 Br2 O3' 424.083 
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 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   ILE 1   204 204 ILE ILE A . n 
A 1 2   PRO 2   205 205 PRO PRO A . n 
A 1 3   THR 3   206 206 THR THR A . n 
A 1 4   CYS 4   207 207 CYS CYS A . n 
A 1 5   LYS 5   208 208 LYS LYS A . n 
A 1 6   ILE 6   209 209 ILE ILE A . n 
A 1 7   THR 7   210 210 THR THR A . n 
A 1 8   LEU 8   211 211 LEU LEU A . n 
A 1 9   LYS 9   212 212 LYS LYS A . n 
A 1 10  GLU 10  213 213 GLU GLU A . n 
A 1 11  THR 11  214 214 THR THR A . n 
A 1 12  PHE 12  215 215 PHE PHE A . n 
A 1 13  LEU 13  216 216 LEU LEU A . n 
A 1 14  THR 14  217 217 THR THR A . n 
A 1 15  SER 15  218 218 SER SER A . n 
A 1 16  PRO 16  219 219 PRO PRO A . n 
A 1 17  GLU 17  220 220 GLU GLU A . n 
A 1 18  GLU 18  221 221 GLU GLU A . n 
A 1 19  LEU 19  222 222 LEU LEU A . n 
A 1 20  TYR 20  223 223 TYR TYR A . n 
A 1 21  ARG 21  224 224 ARG ARG A . n 
A 1 22  VAL 22  225 225 VAL VAL A . n 
A 1 23  PHE 23  226 226 PHE PHE A . n 
A 1 24  THR 24  227 227 THR THR A . n 
A 1 25  THR 25  228 228 THR THR A . n 
A 1 26  GLN 26  229 229 GLN GLN A . n 
A 1 27  GLU 27  230 230 GLU GLU A . n 
A 1 28  LEU 28  231 231 LEU LEU A . n 
A 1 29  VAL 29  232 232 VAL VAL A . n 
A 1 30  GLN 30  233 233 GLN GLN A . n 
A 1 31  ALA 31  234 234 ALA ALA A . n 
A 1 32  PHE 32  235 235 PHE PHE A . n 
A 1 33  THR 33  236 236 THR THR A . n 
A 1 34  HIS 34  237 237 HIS HIS A . n 
A 1 35  ALA 35  238 238 ALA ALA A . n 
A 1 36  PRO 36  239 239 PRO PRO A . n 
A 1 37  ALA 37  240 240 ALA ALA A . n 
A 1 38  THR 38  241 241 THR THR A . n 
A 1 39  LEU 39  242 242 LEU LEU A . n 
A 1 40  GLU 40  243 243 GLU GLU A . n 
A 1 41  ALA 41  244 244 ALA ALA A . n 
A 1 42  ASP 42  245 245 ASP ASP A . n 
A 1 43  ARG 43  246 246 ARG ARG A . n 
A 1 44  GLY 44  247 247 GLY GLY A . n 
A 1 45  GLY 45  248 248 GLY GLY A . n 
A 1 46  LYS 46  249 249 LYS LYS A . n 
A 1 47  PHE 47  250 250 PHE PHE A . n 
A 1 48  HIS 48  251 251 HIS HIS A . n 
A 1 49  MET 49  252 252 MET MET A . n 
A 1 50  VAL 50  253 253 VAL VAL A . n 
A 1 51  ASP 51  254 254 ASP ASP A . n 
A 1 52  GLY 52  255 255 GLY GLY A . n 
A 1 53  ASN 53  256 256 ASN ASN A . n 
A 1 54  VAL 54  257 257 VAL VAL A . n 
A 1 55  SER 55  258 258 SER SER A . n 
A 1 56  GLY 56  259 259 GLY GLY A . n 
A 1 57  GLU 57  260 260 GLU GLU A . n 
A 1 58  PHE 58  261 261 PHE PHE A . n 
A 1 59  THR 59  262 262 THR THR A . n 
A 1 60  ASP 60  263 263 ASP ASP A . n 
A 1 61  LEU 61  264 264 LEU LEU A . n 
A 1 62  VAL 62  265 265 VAL VAL A . n 
A 1 63  PRO 63  266 266 PRO PRO A . n 
A 1 64  GLU 64  267 267 GLU GLU A . n 
A 1 65  LYS 65  268 268 LYS LYS A . n 
A 1 66  HIS 66  269 269 HIS HIS A . n 
A 1 67  ILE 67  270 270 ILE ILE A . n 
A 1 68  VAL 68  271 271 VAL VAL A . n 
A 1 69  MET 69  272 272 MET MET A . n 
A 1 70  LYS 70  273 273 LYS LYS A . n 
A 1 71  TRP 71  274 274 TRP TRP A . n 
A 1 72  ARG 72  275 275 ARG ARG A . n 
A 1 73  PHE 73  276 276 PHE PHE A . n 
A 1 74  LYS 74  277 277 LYS LYS A . n 
A 1 75  SER 75  278 278 SER SER A . n 
A 1 76  TRP 76  279 279 TRP TRP A . n 
A 1 77  PRO 77  280 280 PRO PRO A . n 
A 1 78  GLU 78  281 281 GLU GLU A . n 
A 1 79  GLY 79  282 282 GLY GLY A . n 
A 1 80  HIS 80  283 283 HIS HIS A . n 
A 1 81  PHE 81  284 284 PHE PHE A . n 
A 1 82  ALA 82  285 285 ALA ALA A . n 
A 1 83  THR 83  286 286 THR THR A . n 
A 1 84  ILE 84  287 287 ILE ILE A . n 
A 1 85  THR 85  288 288 THR THR A . n 
A 1 86  LEU 86  289 289 LEU LEU A . n 
A 1 87  THR 87  290 290 THR THR A . n 
A 1 88  PHE 88  291 291 PHE PHE A . n 
A 1 89  ILE 89  292 292 ILE ILE A . n 
A 1 90  ASP 90  293 293 ASP ASP A . n 
A 1 91  LYS 91  294 294 LYS LYS A . n 
A 1 92  ASN 92  295 295 ASN ASN A . n 
A 1 93  GLY 93  296 296 GLY GLY A . n 
A 1 94  GLU 94  297 297 GLU GLU A . n 
A 1 95  THR 95  298 298 THR THR A . n 
A 1 96  GLU 96  299 299 GLU GLU A . n 
A 1 97  LEU 97  300 300 LEU LEU A . n 
A 1 98  CYS 98  301 301 CYS CYS A . n 
A 1 99  MET 99  302 302 MET MET A . n 
A 1 100 GLU 100 303 303 GLU GLU A . n 
A 1 101 GLY 101 304 304 GLY GLY A . n 
A 1 102 ARG 102 305 305 ARG ARG A . n 
A 1 103 GLY 103 306 306 GLY GLY A . n 
A 1 104 ILE 104 307 307 ILE ILE A . n 
A 1 105 PRO 105 308 308 PRO PRO A . n 
A 1 106 ALA 106 309 309 ALA ALA A . n 
A 1 107 PRO 107 310 310 PRO PRO A . n 
A 1 108 GLU 108 311 311 GLU GLU A . n 
A 1 109 GLU 109 312 312 GLU GLU A . n 
A 1 110 GLU 110 313 313 GLU GLU A . n 
A 1 111 ARG 111 314 314 ARG ARG A . n 
A 1 112 THR 112 315 315 THR THR A . n 
A 1 113 ARG 113 316 316 ARG ARG A . n 
A 1 114 GLN 114 317 317 GLN GLN A . n 
A 1 115 GLY 115 318 318 GLY GLY A . n 
A 1 116 TRP 116 319 319 TRP TRP A . n 
A 1 117 GLN 117 320 320 GLN GLN A . n 
A 1 118 ARG 118 321 321 ARG ARG A . n 
A 1 119 TYR 119 322 322 TYR TYR A . n 
A 1 120 TYR 120 323 323 TYR TYR A . n 
A 1 121 PHE 121 324 324 PHE PHE A . n 
A 1 122 GLU 122 325 325 GLU GLU A . n 
A 1 123 GLY 123 326 326 GLY GLY A . n 
A 1 124 ILE 124 327 327 ILE ILE A . n 
A 1 125 LYS 125 328 328 LYS LYS A . n 
A 1 126 GLN 126 329 329 GLN GLN A . n 
A 1 127 THR 127 330 330 THR THR A . n 
A 1 128 PHE 128 331 331 PHE PHE A . n 
A 1 129 GLY 129 332 332 GLY GLY A . n 
A 1 130 TYR 130 333 333 TYR TYR A . n 
A 1 131 GLY 131 334 334 GLY GLY A . n 
A 1 132 ALA 132 335 335 ALA ALA A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        R75 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   R75 
_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 R75 1  401 401 R75 LIG A . 
C 3 HOH 1  501 78  HOH HOH A . 
C 3 HOH 2  502 39  HOH HOH A . 
C 3 HOH 3  503 34  HOH HOH A . 
C 3 HOH 4  504 62  HOH HOH A . 
C 3 HOH 5  505 36  HOH HOH A . 
C 3 HOH 6  506 68  HOH HOH A . 
C 3 HOH 7  507 20  HOH HOH A . 
C 3 HOH 8  508 30  HOH HOH A . 
C 3 HOH 9  509 52  HOH HOH A . 
C 3 HOH 10 510 26  HOH HOH A . 
C 3 HOH 11 511 71  HOH HOH A . 
C 3 HOH 12 512 74  HOH HOH A . 
C 3 HOH 13 513 38  HOH HOH A . 
C 3 HOH 14 514 61  HOH HOH A . 
C 3 HOH 15 515 4   HOH HOH A . 
C 3 HOH 16 516 42  HOH HOH A . 
C 3 HOH 17 517 35  HOH HOH A . 
C 3 HOH 18 518 11  HOH HOH A . 
C 3 HOH 19 519 46  HOH HOH A . 
C 3 HOH 20 520 16  HOH HOH A . 
C 3 HOH 21 521 65  HOH HOH A . 
C 3 HOH 22 522 41  HOH HOH A . 
C 3 HOH 23 523 56  HOH HOH A . 
C 3 HOH 24 524 33  HOH HOH A . 
C 3 HOH 25 525 57  HOH HOH A . 
C 3 HOH 26 526 21  HOH HOH A . 
C 3 HOH 27 527 22  HOH HOH A . 
C 3 HOH 28 528 9   HOH HOH A . 
C 3 HOH 29 529 73  HOH HOH A . 
C 3 HOH 30 530 40  HOH HOH A . 
C 3 HOH 31 531 7   HOH HOH A . 
C 3 HOH 32 532 3   HOH HOH A . 
C 3 HOH 33 533 10  HOH HOH A . 
C 3 HOH 34 534 6   HOH HOH A . 
C 3 HOH 35 535 51  HOH HOH A . 
C 3 HOH 36 536 53  HOH HOH A . 
C 3 HOH 37 537 48  HOH HOH A . 
C 3 HOH 38 538 24  HOH HOH A . 
C 3 HOH 39 539 23  HOH HOH A . 
C 3 HOH 40 540 1   HOH HOH A . 
C 3 HOH 41 541 8   HOH HOH A . 
C 3 HOH 42 542 49  HOH HOH A . 
C 3 HOH 43 543 2   HOH HOH A . 
C 3 HOH 44 544 29  HOH HOH A . 
C 3 HOH 45 545 54  HOH HOH A . 
C 3 HOH 46 546 5   HOH HOH A . 
C 3 HOH 47 547 37  HOH HOH A . 
C 3 HOH 48 548 59  HOH HOH A . 
C 3 HOH 49 549 12  HOH HOH A . 
C 3 HOH 50 550 13  HOH HOH A . 
C 3 HOH 51 551 28  HOH HOH A . 
C 3 HOH 52 552 19  HOH HOH A . 
C 3 HOH 53 553 50  HOH HOH A . 
C 3 HOH 54 554 31  HOH HOH A . 
C 3 HOH 55 555 15  HOH HOH A . 
C 3 HOH 56 556 14  HOH HOH A . 
C 3 HOH 57 557 76  HOH HOH A . 
C 3 HOH 58 558 69  HOH HOH A . 
C 3 HOH 59 559 60  HOH HOH A . 
C 3 HOH 60 560 17  HOH HOH A . 
C 3 HOH 61 561 47  HOH HOH A . 
C 3 HOH 62 562 75  HOH HOH A . 
C 3 HOH 63 563 32  HOH HOH A . 
C 3 HOH 64 564 44  HOH HOH A . 
C 3 HOH 65 565 45  HOH HOH A . 
C 3 HOH 66 566 70  HOH HOH A . 
C 3 HOH 67 567 72  HOH HOH A . 
C 3 HOH 68 568 18  HOH HOH A . 
C 3 HOH 69 569 67  HOH HOH A . 
C 3 HOH 70 570 55  HOH HOH A . 
C 3 HOH 71 571 25  HOH HOH A . 
C 3 HOH 72 572 27  HOH HOH A . 
C 3 HOH 73 573 77  HOH HOH A . 
C 3 HOH 74 574 58  HOH HOH A . 
C 3 HOH 75 575 64  HOH HOH A . 
C 3 HOH 76 576 43  HOH HOH A . 
C 3 HOH 77 577 63  HOH HOH A . 
C 3 HOH 78 578 66  HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? 0.94     2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? 0.94     3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? 11.7.03  4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8Z3J 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     54.216 
_cell.length_a_esd                 ? 
_cell.length_b                     66.802 
_cell.length_b_esd                 ? 
_cell.length_c                     68.200 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         8Z3J 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                23 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'I 2 2 2' 
_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                   8Z3J 
_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             2.03 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          39.51 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;0.1 M MMT, pH6.5
20% PEG1500
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     80 
_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 PILATUS3 S 2M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-06-20 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.979150 
_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                        'SSRF BEAMLINE BL18U1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.979150 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL18U1 
_diffrn_source.pdbx_synchrotron_site       SSRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8Z3J 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.52 
_reflns.d_resolution_low                               42.13 
_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                                     19379 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.76 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                2.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          25.97 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_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                                    1.52 
_reflns_shell.d_res_low                                     1.57 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1880 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.976 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_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]                            -0.85 
_refine.aniso_B[1][2]                            -0.00 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][2]                            1.62 
_refine.aniso_B[2][3]                            -0.00 
_refine.aniso_B[3][3]                            -0.77 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               14.146 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.962 
_refine.correlation_coeff_Fo_to_Fc_free          0.949 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE 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                                 8Z3J 
_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                            1.52 
_refine.ls_d_res_low                             42.13 
_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                     18425 
_refine.ls_number_reflns_R_free                  954 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.79 
_refine.ls_percent_reflns_R_free                 4.9 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.17156 
_refine.ls_R_factor_R_free                       0.19880 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.17020 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    MASK 
_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               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.078 
_refine.pdbx_overall_ESU_R_Free                  0.079 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_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                             1.265 
_refine.overall_SU_ML                            0.047 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.52 
_refine_hist.d_res_low                        42.13 
_refine_hist.number_atoms_solvent             78 
_refine_hist.number_atoms_total               1170 
_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        1070 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         22 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.014  0.013  1124 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.015  1018 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.821  1.666  1523 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 1.512  1.575  2351 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 6.733  5.000  131  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 31.841 21.967 61   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 13.959 15.000 185  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 15.615 15.000 7    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.103  0.200  142  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.011  0.020  1258 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  271  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 1.324  1.145  527  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 1.271  1.142  526  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 1.934  1.712  657  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 1.935  1.714  658  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 2.880  1.580  597  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.878  1.581  598  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 4.485  2.234  867  ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 6.000  14.972 1255 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 5.878  14.477 1235 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.520 
_refine_ls_shell.d_res_low                        1.559 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             56 
_refine_ls_shell.number_reflns_R_work             1344 
_refine_ls_shell.percent_reflns_obs               99.79 
_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                  0.212 
_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   20 
_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                  0.234 
# 
_struct.entry_id                     8Z3J 
_struct.title                        
'Benzbromarone interferes with the interaction between Hsp90 and Aha1 by interacting with both of them' 
_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        8Z3J 
_struct_keywords.text            'Holdase, Activator of HSP90, STRUCTURAL PROTEIN' 
_struct_keywords.pdbx_keywords   'STRUCTURAL PROTEIN' 
# 
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 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    AHSA1_HUMAN 
_struct_ref.pdbx_db_accession          O95433 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;IPTCKITLKETFLTSPEELYRVFTTQELVQAFTHAPATLEADRGGKFHMVDGNVSGEFTDLVPEKHIVMKWRFKSWPEGH
FATITLTFIDKNGETELCMEGRGIPAPEEERTRQGWQRYYFEGIKQTFGYGA
;
_struct_ref.pdbx_align_begin           204 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8Z3J 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 132 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             O95433 
_struct_ref_seq.db_align_beg                  204 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  335 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       204 
_struct_ref_seq.pdbx_auth_seq_align_end       335 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 SER A 15  ? THR A 25  ? SER A 218 THR A 228 1 ? 11 
HELX_P HELX_P2 AA2 THR A 25  ? HIS A 34  ? THR A 228 HIS A 237 1 ? 10 
HELX_P HELX_P3 AA3 VAL A 50  ? GLY A 52  ? VAL A 253 GLY A 255 5 ? 3  
HELX_P HELX_P4 AA4 GLU A 108 ? ARG A 118 ? GLU A 311 ARG A 321 1 ? 11 
HELX_P HELX_P5 AA5 ARG A 118 ? GLY A 129 ? ARG A 321 GLY A 332 1 ? 12 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   7 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 THR A 3  ? PHE A 12  ? THR A 206 PHE A 215 
AA1 2 GLU A 94 ? PRO A 105 ? GLU A 297 PRO A 308 
AA1 3 ALA A 82 ? LYS A 91  ? ALA A 285 LYS A 294 
AA1 4 HIS A 66 ? PHE A 73  ? HIS A 269 PHE A 276 
AA1 5 VAL A 54 ? VAL A 62  ? VAL A 257 VAL A 265 
AA1 6 LYS A 46 ? MET A 49  ? LYS A 249 MET A 252 
AA1 7 THR A 38 ? LEU A 39  ? THR A 241 LEU A 242 
# 
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 GLU A 10 ? N GLU A 213 O LEU A 97 ? O LEU A 300 
AA1 2 3 O GLU A 96 ? O GLU A 299 N ILE A 89 ? N ILE A 292 
AA1 3 4 O ALA A 82 ? O ALA A 285 N TRP A 71 ? N TRP A 274 
AA1 4 5 O LYS A 70 ? O LYS A 273 N GLU A 57 ? N GLU A 260 
AA1 5 6 O VAL A 54 ? O VAL A 257 N MET A 49 ? N MET A 252 
AA1 6 7 O HIS A 48 ? O HIS A 251 N THR A 38 ? N THR A 241 
# 
_pdbx_entry_details.entry_id                   8Z3J 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    LYS 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     268 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -127.10 
_pdbx_validate_torsion.psi             -54.56 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 531 ? C HOH . 
2 1 A HOH 574 ? C HOH . 
# 
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 
HIS N    N  N N 137 
HIS CA   C  N S 138 
HIS C    C  N N 139 
HIS O    O  N N 140 
HIS CB   C  N N 141 
HIS CG   C  Y N 142 
HIS ND1  N  Y N 143 
HIS CD2  C  Y N 144 
HIS CE1  C  Y N 145 
HIS NE2  N  Y N 146 
HIS OXT  O  N N 147 
HIS H    H  N N 148 
HIS H2   H  N N 149 
HIS HA   H  N N 150 
HIS HB2  H  N N 151 
HIS HB3  H  N N 152 
HIS HD1  H  N N 153 
HIS HD2  H  N N 154 
HIS HE1  H  N N 155 
HIS HE2  H  N N 156 
HIS HXT  H  N N 157 
HOH O    O  N N 158 
HOH H1   H  N N 159 
HOH H2   H  N N 160 
ILE N    N  N N 161 
ILE CA   C  N S 162 
ILE C    C  N N 163 
ILE O    O  N N 164 
ILE CB   C  N S 165 
ILE CG1  C  N N 166 
ILE CG2  C  N N 167 
ILE CD1  C  N N 168 
ILE OXT  O  N N 169 
ILE H    H  N N 170 
ILE H2   H  N N 171 
ILE HA   H  N N 172 
ILE HB   H  N N 173 
ILE HG12 H  N N 174 
ILE HG13 H  N N 175 
ILE HG21 H  N N 176 
ILE HG22 H  N N 177 
ILE HG23 H  N N 178 
ILE HD11 H  N N 179 
ILE HD12 H  N N 180 
ILE HD13 H  N N 181 
ILE HXT  H  N N 182 
LEU N    N  N N 183 
LEU CA   C  N S 184 
LEU C    C  N N 185 
LEU O    O  N N 186 
LEU CB   C  N N 187 
LEU CG   C  N N 188 
LEU CD1  C  N N 189 
LEU CD2  C  N N 190 
LEU OXT  O  N N 191 
LEU H    H  N N 192 
LEU H2   H  N N 193 
LEU HA   H  N N 194 
LEU HB2  H  N N 195 
LEU HB3  H  N N 196 
LEU HG   H  N N 197 
LEU HD11 H  N N 198 
LEU HD12 H  N N 199 
LEU HD13 H  N N 200 
LEU HD21 H  N N 201 
LEU HD22 H  N N 202 
LEU HD23 H  N N 203 
LEU HXT  H  N N 204 
LYS N    N  N N 205 
LYS CA   C  N S 206 
LYS C    C  N N 207 
LYS O    O  N N 208 
LYS CB   C  N N 209 
LYS CG   C  N N 210 
LYS CD   C  N N 211 
LYS CE   C  N N 212 
LYS NZ   N  N N 213 
LYS OXT  O  N N 214 
LYS H    H  N N 215 
LYS H2   H  N N 216 
LYS HA   H  N N 217 
LYS HB2  H  N N 218 
LYS HB3  H  N N 219 
LYS HG2  H  N N 220 
LYS HG3  H  N N 221 
LYS HD2  H  N N 222 
LYS HD3  H  N N 223 
LYS HE2  H  N N 224 
LYS HE3  H  N N 225 
LYS HZ1  H  N N 226 
LYS HZ2  H  N N 227 
LYS HZ3  H  N N 228 
LYS HXT  H  N N 229 
MET N    N  N N 230 
MET CA   C  N S 231 
MET C    C  N N 232 
MET O    O  N N 233 
MET CB   C  N N 234 
MET CG   C  N N 235 
MET SD   S  N N 236 
MET CE   C  N N 237 
MET OXT  O  N N 238 
MET H    H  N N 239 
MET H2   H  N N 240 
MET HA   H  N N 241 
MET HB2  H  N N 242 
MET HB3  H  N N 243 
MET HG2  H  N N 244 
MET HG3  H  N N 245 
MET HE1  H  N N 246 
MET HE2  H  N N 247 
MET HE3  H  N N 248 
MET HXT  H  N N 249 
PHE N    N  N N 250 
PHE CA   C  N S 251 
PHE C    C  N N 252 
PHE O    O  N N 253 
PHE CB   C  N N 254 
PHE CG   C  Y N 255 
PHE CD1  C  Y N 256 
PHE CD2  C  Y N 257 
PHE CE1  C  Y N 258 
PHE CE2  C  Y N 259 
PHE CZ   C  Y N 260 
PHE OXT  O  N N 261 
PHE H    H  N N 262 
PHE H2   H  N N 263 
PHE HA   H  N N 264 
PHE HB2  H  N N 265 
PHE HB3  H  N N 266 
PHE HD1  H  N N 267 
PHE HD2  H  N N 268 
PHE HE1  H  N N 269 
PHE HE2  H  N N 270 
PHE HZ   H  N N 271 
PHE HXT  H  N N 272 
PRO N    N  N N 273 
PRO CA   C  N S 274 
PRO C    C  N N 275 
PRO O    O  N N 276 
PRO CB   C  N N 277 
PRO CG   C  N N 278 
PRO CD   C  N N 279 
PRO OXT  O  N N 280 
PRO H    H  N N 281 
PRO HA   H  N N 282 
PRO HB2  H  N N 283 
PRO HB3  H  N N 284 
PRO HG2  H  N N 285 
PRO HG3  H  N N 286 
PRO HD2  H  N N 287 
PRO HD3  H  N N 288 
PRO HXT  H  N N 289 
R75 CAA  C  Y N 290 
R75 CAB  C  Y N 291 
R75 CAC  C  Y N 292 
R75 CAD  C  Y N 293 
R75 CAE  C  Y N 294 
R75 CAF  C  Y N 295 
R75 CAJ  C  N N 296 
R75 CAL  C  Y N 297 
R75 CAM  C  Y N 298 
R75 CAO  C  Y N 299 
R75 CAP  C  Y N 300 
R75 CAQ  C  N N 301 
R75 CAR  C  N N 302 
R75 CAS  C  Y N 303 
R75 CAT  C  Y N 304 
R75 CAU  C  Y N 305 
R75 CAV  C  Y N 306 
R75 OAG  O  N N 307 
R75 OAK  O  N N 308 
R75 OAN  O  Y N 309 
R75 BR1  BR N N 310 
R75 BR2  BR N N 311 
R75 H1   H  N N 312 
R75 H2   H  N N 313 
R75 H4   H  N N 314 
R75 H5   H  N N 315 
R75 H6   H  N N 316 
R75 H7   H  N N 317 
R75 H8   H  N N 318 
R75 H9   H  N N 319 
R75 H10  H  N N 320 
R75 H11  H  N N 321 
R75 H12  H  N N 322 
R75 H13  H  N N 323 
SER N    N  N N 324 
SER CA   C  N S 325 
SER C    C  N N 326 
SER O    O  N N 327 
SER CB   C  N N 328 
SER OG   O  N N 329 
SER OXT  O  N N 330 
SER H    H  N N 331 
SER H2   H  N N 332 
SER HA   H  N N 333 
SER HB2  H  N N 334 
SER HB3  H  N N 335 
SER HG   H  N N 336 
SER HXT  H  N N 337 
THR N    N  N N 338 
THR CA   C  N S 339 
THR C    C  N N 340 
THR O    O  N N 341 
THR CB   C  N R 342 
THR OG1  O  N N 343 
THR CG2  C  N N 344 
THR OXT  O  N N 345 
THR H    H  N N 346 
THR H2   H  N N 347 
THR HA   H  N N 348 
THR HB   H  N N 349 
THR HG1  H  N N 350 
THR HG21 H  N N 351 
THR HG22 H  N N 352 
THR HG23 H  N N 353 
THR HXT  H  N N 354 
TRP N    N  N N 355 
TRP CA   C  N S 356 
TRP C    C  N N 357 
TRP O    O  N N 358 
TRP CB   C  N N 359 
TRP CG   C  Y N 360 
TRP CD1  C  Y N 361 
TRP CD2  C  Y N 362 
TRP NE1  N  Y N 363 
TRP CE2  C  Y N 364 
TRP CE3  C  Y N 365 
TRP CZ2  C  Y N 366 
TRP CZ3  C  Y N 367 
TRP CH2  C  Y N 368 
TRP OXT  O  N N 369 
TRP H    H  N N 370 
TRP H2   H  N N 371 
TRP HA   H  N N 372 
TRP HB2  H  N N 373 
TRP HB3  H  N N 374 
TRP HD1  H  N N 375 
TRP HE1  H  N N 376 
TRP HE3  H  N N 377 
TRP HZ2  H  N N 378 
TRP HZ3  H  N N 379 
TRP HH2  H  N N 380 
TRP HXT  H  N N 381 
TYR N    N  N N 382 
TYR CA   C  N S 383 
TYR C    C  N N 384 
TYR O    O  N N 385 
TYR CB   C  N N 386 
TYR CG   C  Y N 387 
TYR CD1  C  Y N 388 
TYR CD2  C  Y N 389 
TYR CE1  C  Y N 390 
TYR CE2  C  Y N 391 
TYR CZ   C  Y N 392 
TYR OH   O  N N 393 
TYR OXT  O  N N 394 
TYR H    H  N N 395 
TYR H2   H  N N 396 
TYR HA   H  N N 397 
TYR HB2  H  N N 398 
TYR HB3  H  N N 399 
TYR HD1  H  N N 400 
TYR HD2  H  N N 401 
TYR HE1  H  N N 402 
TYR HE2  H  N N 403 
TYR HH   H  N N 404 
TYR HXT  H  N N 405 
VAL N    N  N N 406 
VAL CA   C  N S 407 
VAL C    C  N N 408 
VAL O    O  N N 409 
VAL CB   C  N N 410 
VAL CG1  C  N N 411 
VAL CG2  C  N N 412 
VAL OXT  O  N N 413 
VAL H    H  N N 414 
VAL H2   H  N N 415 
VAL HA   H  N N 416 
VAL HB   H  N N 417 
VAL HG11 H  N N 418 
VAL HG12 H  N N 419 
VAL HG13 H  N N 420 
VAL HG21 H  N N 421 
VAL HG22 H  N N 422 
VAL HG23 H  N N 423 
VAL HXT  H  N N 424 
# 
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 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
R75 OAG CAC  sing N N 277 
R75 BR2 CAB  sing N N 278 
R75 CAC CAB  doub Y N 279 
R75 CAC CAD  sing Y N 280 
R75 CAB CAA  sing Y N 281 
R75 BR1 CAD  sing N N 282 
R75 CAD CAE  doub Y N 283 
R75 CAA CAF  doub Y N 284 
R75 CAE CAF  sing Y N 285 
R75 CAF CAJ  sing N N 286 
R75 OAK CAJ  doub N N 287 
R75 CAJ CAL  sing N N 288 
R75 CAL CAM  doub Y N 289 
R75 CAL CAP  sing Y N 290 
R75 CAQ CAM  sing N N 291 
R75 CAQ CAR  sing N N 292 
R75 CAM OAN  sing Y N 293 
R75 CAV CAP  doub Y N 294 
R75 CAV CAU  sing Y N 295 
R75 CAP CAO  sing Y N 296 
R75 OAN CAO  sing Y N 297 
R75 CAU CAT  doub Y N 298 
R75 CAO CAS  doub Y N 299 
R75 CAT CAS  sing Y N 300 
R75 CAA H1   sing N N 301 
R75 CAE H2   sing N N 302 
R75 CAQ H4   sing N N 303 
R75 CAQ H5   sing N N 304 
R75 CAR H6   sing N N 305 
R75 CAR H7   sing N N 306 
R75 CAR H8   sing N N 307 
R75 CAS H9   sing N N 308 
R75 CAT H10  sing N N 309 
R75 CAU H11  sing N N 310 
R75 CAV H12  sing N N 311 
R75 OAG H13  sing N N 312 
SER N   CA   sing N N 313 
SER N   H    sing N N 314 
SER N   H2   sing N N 315 
SER CA  C    sing N N 316 
SER CA  CB   sing N N 317 
SER CA  HA   sing N N 318 
SER C   O    doub N N 319 
SER C   OXT  sing N N 320 
SER CB  OG   sing N N 321 
SER CB  HB2  sing N N 322 
SER CB  HB3  sing N N 323 
SER OG  HG   sing N N 324 
SER OXT HXT  sing N N 325 
THR N   CA   sing N N 326 
THR N   H    sing N N 327 
THR N   H2   sing N N 328 
THR CA  C    sing N N 329 
THR CA  CB   sing N N 330 
THR CA  HA   sing N N 331 
THR C   O    doub N N 332 
THR C   OXT  sing N N 333 
THR CB  OG1  sing N N 334 
THR CB  CG2  sing N N 335 
THR CB  HB   sing N N 336 
THR OG1 HG1  sing N N 337 
THR CG2 HG21 sing N N 338 
THR CG2 HG22 sing N N 339 
THR CG2 HG23 sing N N 340 
THR OXT HXT  sing N N 341 
TRP N   CA   sing N N 342 
TRP N   H    sing N N 343 
TRP N   H2   sing N N 344 
TRP CA  C    sing N N 345 
TRP CA  CB   sing N N 346 
TRP CA  HA   sing N N 347 
TRP C   O    doub N N 348 
TRP C   OXT  sing N N 349 
TRP CB  CG   sing N N 350 
TRP CB  HB2  sing N N 351 
TRP CB  HB3  sing N N 352 
TRP CG  CD1  doub Y N 353 
TRP CG  CD2  sing Y N 354 
TRP CD1 NE1  sing Y N 355 
TRP CD1 HD1  sing N N 356 
TRP CD2 CE2  doub Y N 357 
TRP CD2 CE3  sing Y N 358 
TRP NE1 CE2  sing Y N 359 
TRP NE1 HE1  sing N N 360 
TRP CE2 CZ2  sing Y N 361 
TRP CE3 CZ3  doub Y N 362 
TRP CE3 HE3  sing N N 363 
TRP CZ2 CH2  doub Y N 364 
TRP CZ2 HZ2  sing N N 365 
TRP CZ3 CH2  sing Y N 366 
TRP CZ3 HZ3  sing N N 367 
TRP CH2 HH2  sing N N 368 
TRP OXT HXT  sing N N 369 
TYR N   CA   sing N N 370 
TYR N   H    sing N N 371 
TYR N   H2   sing N N 372 
TYR CA  C    sing N N 373 
TYR CA  CB   sing N N 374 
TYR CA  HA   sing N N 375 
TYR C   O    doub N N 376 
TYR C   OXT  sing N N 377 
TYR CB  CG   sing N N 378 
TYR CB  HB2  sing N N 379 
TYR CB  HB3  sing N N 380 
TYR CG  CD1  doub Y N 381 
TYR CG  CD2  sing Y N 382 
TYR CD1 CE1  sing Y N 383 
TYR CD1 HD1  sing N N 384 
TYR CD2 CE2  doub Y N 385 
TYR CD2 HD2  sing N N 386 
TYR CE1 CZ   doub Y N 387 
TYR CE1 HE1  sing N N 388 
TYR CE2 CZ   sing Y N 389 
TYR CE2 HE2  sing N N 390 
TYR CZ  OH   sing N N 391 
TYR OH  HH   sing N N 392 
TYR OXT HXT  sing N N 393 
VAL N   CA   sing N N 394 
VAL N   H    sing N N 395 
VAL N   H2   sing N N 396 
VAL CA  C    sing N N 397 
VAL CA  CB   sing N N 398 
VAL CA  HA   sing N N 399 
VAL C   O    doub N N 400 
VAL C   OXT  sing N N 401 
VAL CB  CG1  sing N N 402 
VAL CB  CG2  sing N N 403 
VAL CB  HB   sing N N 404 
VAL CG1 HG11 sing N N 405 
VAL CG1 HG12 sing N N 406 
VAL CG1 HG13 sing N N 407 
VAL CG2 HG21 sing N N 408 
VAL CG2 HG22 sing N N 409 
VAL CG2 HG23 sing N N 410 
VAL OXT HXT  sing N N 411 
# 
_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   1X53 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8Z3J 
_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]   0.018445 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   -0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.014970 
_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]   0.014663 
_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 
BR 
C  
N  
O  
S  
# 
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   1    N  N   . ILE A 1 1   ? 0.583   -5.597  -24.518 1.00 30.46 ? 204 ILE A N   1 
ATOM   2    C  CA  . ILE A 1 1   ? 0.446   -5.423  -23.042 1.00 24.91 ? 204 ILE A CA  1 
ATOM   3    C  C   . ILE A 1 1   ? 1.310   -6.504  -22.382 1.00 22.65 ? 204 ILE A C   1 
ATOM   4    O  O   . ILE A 1 1   ? 1.015   -7.687  -22.519 1.00 22.45 ? 204 ILE A O   1 
ATOM   5    C  CB  . ILE A 1 1   ? -1.044  -5.483  -22.626 1.00 27.39 ? 204 ILE A CB  1 
ATOM   6    C  CG1 . ILE A 1 1   ? -1.909  -4.524  -23.449 1.00 29.11 ? 204 ILE A CG1 1 
ATOM   7    C  CG2 . ILE A 1 1   ? -1.263  -5.236  -21.142 1.00 30.15 ? 204 ILE A CG2 1 
ATOM   8    C  CD1 . ILE A 1 1   ? -3.376  -4.837  -23.393 1.00 33.59 ? 204 ILE A CD1 1 
ATOM   9    N  N   . PRO A 1 2   ? 2.399   -6.153  -21.654 1.00 19.61 ? 205 PRO A N   1 
ATOM   10   C  CA  . PRO A 1 2   ? 3.074   -7.097  -20.765 1.00 16.23 ? 205 PRO A CA  1 
ATOM   11   C  C   . PRO A 1 2   ? 2.085   -7.515  -19.655 1.00 12.59 ? 205 PRO A C   1 
ATOM   12   O  O   . PRO A 1 2   ? 1.362   -6.682  -19.073 1.00 11.77 ? 205 PRO A O   1 
ATOM   13   C  CB  . PRO A 1 2   ? 4.244   -6.325  -20.133 1.00 18.33 ? 205 PRO A CB  1 
ATOM   14   C  CG  . PRO A 1 2   ? 3.908   -4.873  -20.383 1.00 22.59 ? 205 PRO A CG  1 
ATOM   15   C  CD  . PRO A 1 2   ? 3.040   -4.822  -21.625 1.00 21.95 ? 205 PRO A CD  1 
ATOM   16   N  N   . THR A 1 3   ? 2.108   -8.787  -19.328 1.00 9.56  ? 206 THR A N   1 
ATOM   17   C  CA  . THR A 1 3   ? 1.199   -9.376  -18.319 1.00 9.13  ? 206 THR A CA  1 
ATOM   18   C  C   . THR A 1 3   ? 1.982   -10.171 -17.295 1.00 8.70  ? 206 THR A C   1 
ATOM   19   O  O   . THR A 1 3   ? 3.170   -10.491 -17.488 1.00 9.33  ? 206 THR A O   1 
ATOM   20   C  CB  . THR A 1 3   ? 0.103   -10.238 -18.942 1.00 10.07 ? 206 THR A CB  1 
ATOM   21   O  OG1 . THR A 1 3   ? 0.658   -11.267 -19.766 1.00 11.93 ? 206 THR A OG1 1 
ATOM   22   C  CG2 . THR A 1 3   ? -0.880  -9.452  -19.782 1.00 10.12 ? 206 THR A CG2 1 
ATOM   23   N  N   . CYS A 1 4   ? 1.287   -10.519 -16.211 1.00 8.54  ? 207 CYS A N   1 
ATOM   24   C  CA  . CYS A 1 4   ? 1.828   -11.303 -15.108 1.00 8.58  ? 207 CYS A CA  1 
ATOM   25   C  C   . CYS A 1 4   ? 0.804   -12.306 -14.617 1.00 7.83  ? 207 CYS A C   1 
ATOM   26   O  O   . CYS A 1 4   ? -0.388  -12.205 -14.972 1.00 8.21  ? 207 CYS A O   1 
ATOM   27   C  CB  . CYS A 1 4   ? 2.251   -10.421 -13.953 1.00 9.41  ? 207 CYS A CB  1 
ATOM   28   S  SG  . CYS A 1 4   ? 0.896   -9.604  -13.081 1.00 12.48 ? 207 CYS A SG  1 
ATOM   29   N  N   . LYS A 1 5   ? 1.297   -13.288 -13.898 1.00 7.65  ? 208 LYS A N   1 
ATOM   30   C  CA  . LYS A 1 5   ? 0.529   -14.375 -13.283 1.00 8.75  ? 208 LYS A CA  1 
ATOM   31   C  C   . LYS A 1 5   ? 0.693   -14.242 -11.800 1.00 8.70  ? 208 LYS A C   1 
ATOM   32   O  O   . LYS A 1 5   ? 1.830   -14.056 -11.313 1.00 11.24 ? 208 LYS A O   1 
ATOM   33   C  CB  . LYS A 1 5   ? 1.066   -15.717 -13.766 1.00 9.19  ? 208 LYS A CB  1 
ATOM   34   C  CG  . LYS A 1 5   ? 0.358   -16.927 -13.164 1.00 10.28 ? 208 LYS A CG  1 
ATOM   35   C  CD  . LYS A 1 5   ? 1.062   -18.213 -13.599 1.00 11.48 ? 208 LYS A CD  1 
ATOM   36   C  CE  . LYS A 1 5   ? 0.291   -19.428 -13.118 1.00 13.83 ? 208 LYS A CE  1 
ATOM   37   N  NZ  . LYS A 1 5   ? 1.082   -20.676 -13.317 1.00 15.40 ? 208 LYS A NZ  1 
ATOM   38   N  N   . ILE A 1 6   ? -0.393  -14.389 -11.067 1.00 8.71  ? 209 ILE A N   1 
ATOM   39   C  CA  . ILE A 1 6   ? -0.349  -14.450 -9.598  1.00 9.99  ? 209 ILE A CA  1 
ATOM   40   C  C   . ILE A 1 6   ? -1.036  -15.708 -9.137  1.00 10.00 ? 209 ILE A C   1 
ATOM   41   O  O   . ILE A 1 6   ? -1.993  -16.142 -9.792  1.00 9.72  ? 209 ILE A O   1 
ATOM   42   C  CB  . ILE A 1 6   ? -0.910  -13.194 -8.931  1.00 11.40 ? 209 ILE A CB  1 
ATOM   43   C  CG1 . ILE A 1 6   ? -2.413  -13.106 -9.040  1.00 11.40 ? 209 ILE A CG1 1 
ATOM   44   C  CG2 . ILE A 1 6   ? -0.276  -11.922 -9.468  1.00 11.36 ? 209 ILE A CG2 1 
ATOM   45   C  CD1 . ILE A 1 6   ? -3.023  -11.941 -8.281  1.00 13.02 ? 209 ILE A CD1 1 
ATOM   46   N  N   . THR A 1 7   ? -0.620  -16.211 -7.993  1.00 10.25 ? 210 THR A N   1 
ATOM   47   C  CA  . THR A 1 7   ? -1.200  -17.395 -7.341  1.00 11.00 ? 210 THR A CA  1 
ATOM   48   C  C   . THR A 1 7   ? -1.400  -17.017 -5.881  1.00 11.43 ? 210 THR A C   1 
ATOM   49   O  O   . THR A 1 7   ? -0.426  -16.569 -5.223  1.00 12.58 ? 210 THR A O   1 
ATOM   50   C  CB  . THR A 1 7   ? -0.370  -18.667 -7.499  1.00 13.62 ? 210 THR A CB  1 
ATOM   51   O  OG1 . THR A 1 7   ? -0.237  -18.948 -8.895  1.00 16.32 ? 210 THR A OG1 1 
ATOM   52   C  CG2 . THR A 1 7   ? -1.057  -19.848 -6.855  1.00 17.64 ? 210 THR A CG2 1 
ATOM   53   N  N   . LEU A 1 8   ? -2.629  -17.138 -5.381  1.00 11.04 ? 211 LEU A N   1 
ATOM   54   C  CA  . LEU A 1 8   ? -2.912  -16.869 -3.965  1.00 11.37 ? 211 LEU A CA  1 
ATOM   55   C  C   . LEU A 1 8   ? -3.596  -18.091 -3.362  1.00 11.94 ? 211 LEU A C   1 
ATOM   56   O  O   . LEU A 1 8   ? -4.381  -18.775 -4.048  1.00 12.72 ? 211 LEU A O   1 
ATOM   57   C  CB  . LEU A 1 8   ? -3.845  -15.657 -3.871  1.00 12.41 ? 211 LEU A CB  1 
ATOM   58   C  CG  . LEU A 1 8   ? -3.345  -14.361 -4.505  1.00 14.86 ? 211 LEU A CG  1 
ATOM   59   C  CD1 . LEU A 1 8   ? -4.394  -13.281 -4.449  1.00 16.34 ? 211 LEU A CD1 1 
ATOM   60   C  CD2 . LEU A 1 8   ? -2.091  -13.862 -3.800  1.00 16.77 ? 211 LEU A CD2 1 
ATOM   61   N  N   . LYS A 1 9   ? -3.354  -18.350 -2.096  1.00 11.98 ? 212 LYS A N   1 
ATOM   62   C  CA  . LYS A 1 9   ? -4.078  -19.408 -1.398  1.00 14.12 ? 212 LYS A CA  1 
ATOM   63   C  C   . LYS A 1 9   ? -4.537  -18.856 -0.057  1.00 14.25 ? 212 LYS A C   1 
ATOM   64   O  O   . LYS A 1 9   ? -3.815  -18.042 0.579   1.00 16.76 ? 212 LYS A O   1 
ATOM   65   C  CB  . LYS A 1 9   ? -3.214  -20.644 -1.232  1.00 16.95 ? 212 LYS A CB  1 
ATOM   66   C  CG  . LYS A 1 9   ? -2.710  -21.234 -2.529  1.00 20.49 ? 212 LYS A CG  1 
ATOM   67   C  CD  . LYS A 1 9   ? -2.005  -22.558 -2.295  1.00 27.36 ? 212 LYS A CD  1 
ATOM   68   C  CE  . LYS A 1 9   ? -1.601  -23.272 -3.565  1.00 30.69 ? 212 LYS A CE  1 
ATOM   69   N  NZ  . LYS A 1 9   ? -1.652  -24.737 -3.330  1.00 39.13 ? 212 LYS A NZ  1 
ATOM   70   N  N   . GLU A 1 10  ? -5.759  -19.221 0.307   1.00 12.60 ? 213 GLU A N   1 
ATOM   71   C  CA  . GLU A 1 10  ? -6.398  -18.735 1.550   1.00 14.06 ? 213 GLU A CA  1 
ATOM   72   C  C   . GLU A 1 10  ? -7.322  -19.822 2.075   1.00 13.25 ? 213 GLU A C   1 
ATOM   73   O  O   . GLU A 1 10  ? -8.021  -20.479 1.285   1.00 12.16 ? 213 GLU A O   1 
ATOM   74   C  CB  . GLU A 1 10  ? -7.210  -17.486 1.232   1.00 17.59 ? 213 GLU A CB  1 
ATOM   75   C  CG  . GLU A 1 10  ? -7.756  -16.787 2.465   1.00 21.82 ? 213 GLU A CG  1 
ATOM   76   C  CD  . GLU A 1 10  ? -6.893  -15.666 3.010   1.00 26.67 ? 213 GLU A CD  1 
ATOM   77   O  OE1 . GLU A 1 10  ? -5.759  -15.491 2.492   1.00 28.56 ? 213 GLU A OE1 1 
ATOM   78   O  OE2 . GLU A 1 10  ? -7.370  -14.934 3.924   1.00 28.47 ? 213 GLU A OE2 1 
ATOM   79   N  N   . THR A 1 11  ? -7.404  -19.970 3.407   1.00 12.25 ? 214 THR A N   1 
ATOM   80   C  CA  . THR A 1 11  ? -8.254  -20.984 4.044   1.00 11.70 ? 214 THR A CA  1 
ATOM   81   C  C   . THR A 1 11  ? -9.398  -20.232 4.741   1.00 9.87  ? 214 THR A C   1 
ATOM   82   O  O   . THR A 1 11  ? -9.144  -19.203 5.392   1.00 10.86 ? 214 THR A O   1 
ATOM   83   C  CB  . THR A 1 11  ? -7.479  -21.897 5.007   1.00 13.63 ? 214 THR A CB  1 
ATOM   84   O  OG1 . THR A 1 11  ? -6.472  -22.601 4.255   1.00 15.80 ? 214 THR A OG1 1 
ATOM   85   C  CG2 . THR A 1 11  ? -8.437  -22.831 5.705   1.00 14.63 ? 214 THR A CG2 1 
ATOM   86   N  N   . PHE A 1 12  ? -10.619 -20.701 4.528   1.00 9.79  ? 215 PHE A N   1 
ATOM   87   C  CA  . PHE A 1 12  ? -11.863 -20.111 5.071   1.00 9.29  ? 215 PHE A CA  1 
ATOM   88   C  C   . PHE A 1 12  ? -12.523 -21.125 5.998   1.00 9.73  ? 215 PHE A C   1 
ATOM   89   O  O   . PHE A 1 12  ? -12.589 -22.307 5.647   1.00 9.94  ? 215 PHE A O   1 
ATOM   90   C  CB  . PHE A 1 12  ? -12.796 -19.746 3.926   1.00 9.01  ? 215 PHE A CB  1 
ATOM   91   C  CG  . PHE A 1 12  ? -12.261 -18.677 3.027   1.00 8.88  ? 215 PHE A CG  1 
ATOM   92   C  CD1 . PHE A 1 12  ? -11.351 -19.002 2.031   1.00 9.95  ? 215 PHE A CD1 1 
ATOM   93   C  CD2 . PHE A 1 12  ? -12.755 -17.395 3.094   1.00 9.29  ? 215 PHE A CD2 1 
ATOM   94   C  CE1 . PHE A 1 12  ? -10.872 -18.021 1.177   1.00 9.75  ? 215 PHE A CE1 1 
ATOM   95   C  CE2 . PHE A 1 12  ? -12.288 -16.416 2.228   1.00 9.29  ? 215 PHE A CE2 1 
ATOM   96   C  CZ  . PHE A 1 12  ? -11.365 -16.747 1.255   1.00 10.28 ? 215 PHE A CZ  1 
ATOM   97   N  N   . LEU A 1 13  ? -13.077 -20.624 7.095   1.00 10.03 ? 216 LEU A N   1 
ATOM   98   C  CA  . LEU A 1 13  ? -13.834 -21.482 8.028   1.00 10.72 ? 216 LEU A CA  1 
ATOM   99   C  C   . LEU A 1 13  ? -15.270 -21.582 7.542   1.00 11.82 ? 216 LEU A C   1 
ATOM   100  O  O   . LEU A 1 13  ? -16.226 -21.118 8.211   1.00 11.44 ? 216 LEU A O   1 
ATOM   101  C  CB  . LEU A 1 13  ? -13.712 -20.905 9.429   1.00 11.40 ? 216 LEU A CB  1 
ATOM   102  C  CG  . LEU A 1 13  ? -12.300 -20.775 9.974   1.00 12.04 ? 216 LEU A CG  1 
ATOM   103  C  CD1 . LEU A 1 13  ? -12.337 -20.361 11.460  1.00 13.16 ? 216 LEU A CD1 1 
ATOM   104  C  CD2 . LEU A 1 13  ? -11.522 -22.061 9.824   1.00 12.98 ? 216 LEU A CD2 1 
ATOM   105  N  N   . THR A 1 14  ? -15.436 -22.175 6.376   1.00 10.45 ? 217 THR A N   1 
ATOM   106  C  CA  . THR A 1 14  ? -16.757 -22.533 5.845   1.00 11.72 ? 217 THR A CA  1 
ATOM   107  C  C   . THR A 1 14  ? -16.549 -23.708 4.906   1.00 11.32 ? 217 THR A C   1 
ATOM   108  O  O   . THR A 1 14  ? -15.384 -24.034 4.582   1.00 12.37 ? 217 THR A O   1 
ATOM   109  C  CB  . THR A 1 14  ? -17.446 -21.354 5.158   1.00 12.19 ? 217 THR A CB  1 
ATOM   110  O  OG1 . THR A 1 14  ? -18.825 -21.681 5.041   1.00 13.50 ? 217 THR A OG1 1 
ATOM   111  C  CG2 . THR A 1 14  ? -16.929 -21.062 3.775   1.00 12.58 ? 217 THR A CG2 1 
ATOM   112  N  N   . SER A 1 15  ? -17.637 -24.281 4.434   1.00 11.36 ? 218 SER A N   1 
ATOM   113  C  CA  . SER A 1 15  ? -17.577 -25.440 3.521   1.00 11.97 ? 218 SER A CA  1 
ATOM   114  C  C   . SER A 1 15  ? -17.379 -24.942 2.105   1.00 11.51 ? 218 SER A C   1 
ATOM   115  O  O   . SER A 1 15  ? -17.736 -23.784 1.781   1.00 11.13 ? 218 SER A O   1 
ATOM   116  C  CB  . SER A 1 15  ? -18.863 -26.219 3.563   1.00 12.28 ? 218 SER A CB  1 
ATOM   117  O  OG  . SER A 1 15  ? -19.966 -25.459 3.124   1.00 15.11 ? 218 SER A OG  1 
ATOM   118  N  N   . PRO A 1 16  ? -16.838 -25.794 1.221   1.00 12.12 ? 219 PRO A N   1 
ATOM   119  C  CA  . PRO A 1 16  ? -16.755 -25.401 -0.180  1.00 11.68 ? 219 PRO A CA  1 
ATOM   120  C  C   . PRO A 1 16  ? -18.095 -24.977 -0.766  1.00 11.58 ? 219 PRO A C   1 
ATOM   121  O  O   . PRO A 1 16  ? -18.107 -24.022 -1.538  1.00 11.41 ? 219 PRO A O   1 
ATOM   122  C  CB  . PRO A 1 16  ? -16.193 -26.641 -0.856  1.00 12.87 ? 219 PRO A CB  1 
ATOM   123  C  CG  . PRO A 1 16  ? -15.353 -27.282 0.205   1.00 13.35 ? 219 PRO A CG  1 
ATOM   124  C  CD  . PRO A 1 16  ? -16.141 -27.064 1.483   1.00 13.09 ? 219 PRO A CD  1 
ATOM   125  N  N   . GLU A 1 17  ? -19.179 -25.664 -0.421  1.00 13.31 ? 220 GLU A N   1 
ATOM   126  C  CA  . GLU A 1 17  ? -20.514 -25.263 -0.915  1.00 14.46 ? 220 GLU A CA  1 
ATOM   127  C  C   . GLU A 1 17  ? -20.792 -23.801 -0.563  1.00 12.99 ? 220 GLU A C   1 
ATOM   128  O  O   . GLU A 1 17  ? -21.161 -23.008 -1.454  1.00 12.95 ? 220 GLU A O   1 
ATOM   129  C  CB  . GLU A 1 17  ? -21.643 -26.103 -0.317  1.00 17.81 ? 220 GLU A CB  1 
ATOM   130  C  CG  . GLU A 1 17  ? -22.986 -25.489 -0.577  1.00 22.60 ? 220 GLU A CG  1 
ATOM   131  C  CD  . GLU A 1 17  ? -24.206 -26.332 -0.296  1.00 26.32 ? 220 GLU A CD  1 
ATOM   132  O  OE1 . GLU A 1 17  ? -24.061 -27.428 0.304   1.00 29.95 ? 220 GLU A OE1 1 
ATOM   133  O  OE2 . GLU A 1 17  ? -25.302 -25.859 -0.680  1.00 25.85 ? 220 GLU A OE2 1 
ATOM   134  N  N   . GLU A 1 18  ? -20.607 -23.423 0.693   1.00 11.73 ? 221 GLU A N   1 
ATOM   135  C  CA  . GLU A 1 18  ? -20.972 -22.067 1.171   1.00 12.26 ? 221 GLU A CA  1 
ATOM   136  C  C   . GLU A 1 18  ? -20.047 -21.042 0.514   1.00 11.00 ? 221 GLU A C   1 
ATOM   137  O  O   . GLU A 1 18  ? -20.509 -19.997 0.047   1.00 10.76 ? 221 GLU A O   1 
ATOM   138  C  CB  . GLU A 1 18  ? -20.871 -21.939 2.681   1.00 14.12 ? 221 GLU A CB  1 
ATOM   139  C  CG  . GLU A 1 18  ? -21.941 -22.705 3.430   1.00 17.22 ? 221 GLU A CG  1 
ATOM   140  C  CD  . GLU A 1 18  ? -23.385 -22.606 2.967   1.00 24.36 ? 221 GLU A CD  1 
ATOM   141  O  OE1 . GLU A 1 18  ? -23.838 -21.484 2.618   1.00 26.91 ? 221 GLU A OE1 1 
ATOM   142  O  OE2 . GLU A 1 18  ? -24.062 -23.681 2.959   1.00 31.40 ? 221 GLU A OE2 1 
ATOM   143  N  N   . LEU A 1 19  ? -18.767 -21.371 0.361   1.00 9.61  ? 222 LEU A N   1 
ATOM   144  C  CA  . LEU A 1 19  ? -17.846 -20.376 -0.250  1.00 9.55  ? 222 LEU A CA  1 
ATOM   145  C  C   . LEU A 1 19  ? -18.158 -20.217 -1.733  1.00 9.28  ? 222 LEU A C   1 
ATOM   146  O  O   . LEU A 1 19  ? -18.095 -19.107 -2.266  1.00 8.69  ? 222 LEU A O   1 
ATOM   147  C  CB  . LEU A 1 19  ? -16.396 -20.751 0.005   1.00 8.96  ? 222 LEU A CB  1 
ATOM   148  C  CG  . LEU A 1 19  ? -15.403 -19.639 -0.268  1.00 9.29  ? 222 LEU A CG  1 
ATOM   149  C  CD1 . LEU A 1 19  ? -15.626 -18.430 0.648   1.00 9.35  ? 222 LEU A CD1 1 
ATOM   150  C  CD2 . LEU A 1 19  ? -13.997 -20.176 -0.184  1.00 9.61  ? 222 LEU A CD2 1 
ATOM   151  N  N   . TYR A 1 20  ? -18.414 -21.329 -2.403  1.00 9.37  ? 223 TYR A N   1 
ATOM   152  C  CA  . TYR A 1 20  ? -18.774 -21.239 -3.834  1.00 9.65  ? 223 TYR A CA  1 
ATOM   153  C  C   . TYR A 1 20  ? -20.040 -20.392 -3.982  1.00 9.36  ? 223 TYR A C   1 
ATOM   154  O  O   . TYR A 1 20  ? -20.132 -19.607 -4.934  1.00 8.45  ? 223 TYR A O   1 
ATOM   155  C  CB  . TYR A 1 20  ? -19.001 -22.649 -4.367  1.00 10.16 ? 223 TYR A CB  1 
ATOM   156  C  CG  . TYR A 1 20  ? -19.432 -22.737 -5.802  1.00 11.09 ? 223 TYR A CG  1 
ATOM   157  C  CD1 . TYR A 1 20  ? -20.770 -22.664 -6.130  1.00 11.95 ? 223 TYR A CD1 1 
ATOM   158  C  CD2 . TYR A 1 20  ? -18.491 -22.838 -6.804  1.00 11.73 ? 223 TYR A CD2 1 
ATOM   159  C  CE1 . TYR A 1 20  ? -21.178 -22.747 -7.454  1.00 13.58 ? 223 TYR A CE1 1 
ATOM   160  C  CE2 . TYR A 1 20  ? -18.887 -22.937 -8.120  1.00 12.34 ? 223 TYR A CE2 1 
ATOM   161  C  CZ  . TYR A 1 20  ? -20.222 -22.902 -8.435  1.00 13.39 ? 223 TYR A CZ  1 
ATOM   162  O  OH  . TYR A 1 20  ? -20.509 -23.044 -9.772  1.00 17.62 ? 223 TYR A OH  1 
ATOM   163  N  N   . ARG A 1 21  ? -21.033 -20.581 -3.126  1.00 9.84  ? 224 ARG A N   1 
ATOM   164  C  CA  . ARG A 1 21  ? -22.277 -19.791 -3.191  1.00 10.80 ? 224 ARG A CA  1 
ATOM   165  C  C   . ARG A 1 21  ? -21.935 -18.298 -3.066  1.00 10.65 ? 224 ARG A C   1 
ATOM   166  O  O   . ARG A 1 21  ? -22.492 -17.494 -3.780  1.00 10.60 ? 224 ARG A O   1 
ATOM   167  C  CB  . ARG A 1 21  ? -23.227 -20.199 -2.063  1.00 13.31 ? 224 ARG A CB  1 
ATOM   168  C  CG  . ARG A 1 21  ? -23.966 -21.504 -2.282  1.00 17.48 ? 224 ARG A CG  1 
ATOM   169  C  CD  . ARG A 1 21  ? -24.909 -21.758 -1.112  1.00 20.42 ? 224 ARG A CD  1 
ATOM   170  N  NE  . ARG A 1 21  ? -25.758 -22.919 -1.356  1.00 21.48 ? 224 ARG A NE  1 
ATOM   171  C  CZ  . ARG A 1 21  ? -26.986 -22.846 -1.883  1.00 24.61 ? 224 ARG A CZ  1 
ATOM   172  N  NH1 . ARG A 1 21  ? -27.488 -21.667 -2.227  1.00 23.33 ? 224 ARG A NH1 1 
ATOM   173  N  NH2 . ARG A 1 21  ? -27.715 -23.946 -2.049  1.00 26.58 ? 224 ARG A NH2 1 
ATOM   174  N  N   . VAL A 1 22  ? -21.051 -17.939 -2.131  1.00 9.59  ? 225 VAL A N   1 
ATOM   175  C  CA  . VAL A 1 22  ? -20.641 -16.529 -1.959  1.00 9.99  ? 225 VAL A CA  1 
ATOM   176  C  C   . VAL A 1 22  ? -20.086 -15.943 -3.257  1.00 9.53  ? 225 VAL A C   1 
ATOM   177  O  O   . VAL A 1 22  ? -20.485 -14.841 -3.608  1.00 11.26 ? 225 VAL A O   1 
ATOM   178  C  CB  . VAL A 1 22  ? -19.659 -16.399 -0.791  1.00 10.65 ? 225 VAL A CB  1 
ATOM   179  C  CG1 . VAL A 1 22  ? -18.996 -15.050 -0.778  1.00 12.37 ? 225 VAL A CG1 1 
ATOM   180  C  CG2 . VAL A 1 22  ? -20.407 -16.681 0.507   1.00 10.78 ? 225 VAL A CG2 1 
ATOM   181  N  N   . PHE A 1 23  ? -19.269 -16.680 -3.996  1.00 9.33  ? 226 PHE A N   1 
ATOM   182  C  CA  . PHE A 1 23  ? -18.680 -16.155 -5.247  1.00 9.85  ? 226 PHE A CA  1 
ATOM   183  C  C   . PHE A 1 23  ? -19.683 -16.123 -6.389  1.00 10.19 ? 226 PHE A C   1 
ATOM   184  O  O   . PHE A 1 23  ? -19.367 -15.485 -7.416  1.00 13.94 ? 226 PHE A O   1 
ATOM   185  C  CB  . PHE A 1 23  ? -17.448 -16.978 -5.619  1.00 9.76  ? 226 PHE A CB  1 
ATOM   186  C  CG  . PHE A 1 23  ? -16.196 -16.576 -4.887  1.00 9.56  ? 226 PHE A CG  1 
ATOM   187  C  CD1 . PHE A 1 23  ? -15.442 -15.487 -5.306  1.00 9.62  ? 226 PHE A CD1 1 
ATOM   188  C  CD2 . PHE A 1 23  ? -15.754 -17.312 -3.811  1.00 8.74  ? 226 PHE A CD2 1 
ATOM   189  C  CE1 . PHE A 1 23  ? -14.290 -15.146 -4.618  1.00 9.09  ? 226 PHE A CE1 1 
ATOM   190  C  CE2 . PHE A 1 23  ? -14.593 -16.965 -3.127  1.00 9.17  ? 226 PHE A CE2 1 
ATOM   191  C  CZ  . PHE A 1 23  ? -13.866 -15.892 -3.559  1.00 8.83  ? 226 PHE A CZ  1 
ATOM   192  N  N   . THR A 1 24  ? -20.788 -16.847 -6.296  1.00 9.40  ? 227 THR A N   1 
ATOM   193  C  CA  . THR A 1 24  ? -21.677 -17.055 -7.454  1.00 9.68  ? 227 THR A CA  1 
ATOM   194  C  C   . THR A 1 24  ? -23.119 -16.667 -7.160  1.00 10.19 ? 227 THR A C   1 
ATOM   195  O  O   . THR A 1 24  ? -23.976 -17.021 -7.964  1.00 12.01 ? 227 THR A O   1 
ATOM   196  C  CB  . THR A 1 24  ? -21.662 -18.509 -7.903  1.00 10.04 ? 227 THR A CB  1 
ATOM   197  O  OG1 . THR A 1 24  ? -22.128 -19.382 -6.871  1.00 10.60 ? 227 THR A OG1 1 
ATOM   198  C  CG2 . THR A 1 24  ? -20.272 -18.862 -8.384  1.00 10.41 ? 227 THR A CG2 1 
ATOM   199  N  N   . THR A 1 25  ? -23.359 -15.875 -6.133  1.00 9.48  ? 228 THR A N   1 
ATOM   200  C  CA  . THR A 1 25  ? -24.710 -15.400 -5.790  1.00 8.79  ? 228 THR A CA  1 
ATOM   201  C  C   . THR A 1 25  ? -24.700 -13.874 -5.786  1.00 8.43  ? 228 THR A C   1 
ATOM   202  O  O   . THR A 1 25  ? -23.968 -13.244 -4.978  1.00 7.25  ? 228 THR A O   1 
ATOM   203  C  CB  . THR A 1 25  ? -25.203 -15.957 -4.453  1.00 9.27  ? 228 THR A CB  1 
ATOM   204  O  OG1 . THR A 1 25  ? -25.114 -17.384 -4.440  1.00 10.14 ? 228 THR A OG1 1 
ATOM   205  C  CG2 . THR A 1 25  ? -26.641 -15.592 -4.153  1.00 10.17 ? 228 THR A CG2 1 
ATOM   206  N  N   . GLN A 1 26  ? -25.419 -13.256 -6.704  1.00 9.22  ? 229 GLN A N   1 
ATOM   207  C  CA  . GLN A 1 26  ? -25.394 -11.804 -6.846  1.00 9.83  ? 229 GLN A CA  1 
ATOM   208  C  C   . GLN A 1 26  ? -25.583 -11.092 -5.507  1.00 8.97  ? 229 GLN A C   1 
ATOM   209  O  O   . GLN A 1 26  ? -24.885 -10.118 -5.230  1.00 8.64  ? 229 GLN A O   1 
ATOM   210  C  CB  . GLN A 1 26  ? -26.527 -11.486 -7.811  1.00 13.30 ? 229 GLN A CB  1 
ATOM   211  C  CG  . GLN A 1 26  ? -26.665 -10.020 -8.086  1.00 13.92 ? 229 GLN A CG  1 
ATOM   212  C  CD  . GLN A 1 26  ? -27.676 -9.865  -9.197  1.00 14.97 ? 229 GLN A CD  1 
ATOM   213  O  OE1 . GLN A 1 26  ? -27.415 -10.240 -10.331 1.00 12.50 ? 229 GLN A OE1 1 
ATOM   214  N  NE2 . GLN A 1 26  ? -28.833 -9.312  -8.890  1.00 18.02 ? 229 GLN A NE2 1 
ATOM   215  N  N   . GLU A 1 27  ? -26.536 -11.543 -4.698  1.00 8.18  ? 230 GLU A N   1 
ATOM   216  C  CA  . GLU A 1 27  ? -26.921 -10.807 -3.472  1.00 9.28  ? 230 GLU A CA  1 
ATOM   217  C  C   . GLU A 1 27  ? -25.812 -10.963 -2.430  1.00 8.59  ? 230 GLU A C   1 
ATOM   218  O  O   . GLU A 1 27  ? -25.669 -10.103 -1.556  1.00 9.85  ? 230 GLU A O   1 
ATOM   219  C  CB  . GLU A 1 27  ? -28.266 -11.323 -2.965  1.00 10.09 ? 230 GLU A CB  1 
ATOM   220  C  CG  . GLU A 1 27  ? -29.412 -11.048 -3.917  1.00 11.62 ? 230 GLU A CG  1 
ATOM   221  C  CD  . GLU A 1 27  ? -29.546 -11.975 -5.118  1.00 12.05 ? 230 GLU A CD  1 
ATOM   222  O  OE1 . GLU A 1 27  ? -28.906 -13.065 -5.160  1.00 13.63 ? 230 GLU A OE1 1 
ATOM   223  O  OE2 . GLU A 1 27  ? -30.264 -11.552 -6.069  1.00 14.54 ? 230 GLU A OE2 1 
ATOM   224  N  N   . LEU A 1 28  ? -25.074 -12.060 -2.457  1.00 8.27  ? 231 LEU A N   1 
ATOM   225  C  CA  . LEU A 1 28  ? -23.959 -12.260 -1.489  1.00 8.31  ? 231 LEU A CA  1 
ATOM   226  C  C   . LEU A 1 28  ? -22.768 -11.421 -1.926  1.00 8.10  ? 231 LEU A C   1 
ATOM   227  O  O   . LEU A 1 28  ? -22.140 -10.793 -1.091  1.00 8.62  ? 231 LEU A O   1 
ATOM   228  C  CB  . LEU A 1 28  ? -23.620 -13.746 -1.393  1.00 8.03  ? 231 LEU A CB  1 
ATOM   229  C  CG  . LEU A 1 28  ? -24.785 -14.643 -0.929  1.00 8.58  ? 231 LEU A CG  1 
ATOM   230  C  CD1 . LEU A 1 28  ? -24.327 -16.099 -0.844  1.00 9.06  ? 231 LEU A CD1 1 
ATOM   231  C  CD2 . LEU A 1 28  ? -25.341 -14.190 0.428   1.00 8.67  ? 231 LEU A CD2 1 
ATOM   232  N  N   . VAL A 1 29  ? -22.528 -11.338 -3.232  1.00 8.20  ? 232 VAL A N   1 
ATOM   233  C  CA  . VAL A 1 29  ? -21.473 -10.433 -3.763  1.00 8.30  ? 232 VAL A CA  1 
ATOM   234  C  C   . VAL A 1 29  ? -21.832 -8.977  -3.402  1.00 8.85  ? 232 VAL A C   1 
ATOM   235  O  O   . VAL A 1 29  ? -20.961 -8.238  -2.961  1.00 9.33  ? 232 VAL A O   1 
ATOM   236  C  CB  . VAL A 1 29  ? -21.262 -10.657 -5.263  1.00 9.46  ? 232 VAL A CB  1 
ATOM   237  C  CG1 . VAL A 1 29  ? -20.362 -9.581  -5.880  1.00 9.93  ? 232 VAL A CG1 1 
ATOM   238  C  CG2 . VAL A 1 29  ? -20.726 -12.038 -5.502  1.00 9.27  ? 232 VAL A CG2 1 
ATOM   239  N  N   . GLN A 1 30  ? -23.062 -8.530  -3.621  1.00 9.63  ? 233 GLN A N   1 
ATOM   240  C  CA  . GLN A 1 30  ? -23.466 -7.161  -3.215  1.00 12.23 ? 233 GLN A CA  1 
ATOM   241  C  C   . GLN A 1 30  ? -23.128 -6.939  -1.733  1.00 11.13 ? 233 GLN A C   1 
ATOM   242  O  O   . GLN A 1 30  ? -22.674 -5.846  -1.349  1.00 10.64 ? 233 GLN A O   1 
ATOM   243  C  CB  . GLN A 1 30  ? -24.972 -6.962  -3.386  1.00 15.36 ? 233 GLN A CB  1 
ATOM   244  C  CG  . GLN A 1 30  ? -25.384 -6.959  -4.823  1.00 20.76 ? 233 GLN A CG  1 
ATOM   245  C  CD  . GLN A 1 30  ? -26.746 -6.337  -5.019  1.00 23.72 ? 233 GLN A CD  1 
ATOM   246  O  OE1 . GLN A 1 30  ? -27.037 -5.881  -6.113  1.00 26.56 ? 233 GLN A OE1 1 
ATOM   247  N  NE2 . GLN A 1 30  ? -27.576 -6.369  -3.985  1.00 28.62 ? 233 GLN A NE2 1 
ATOM   248  N  N   . ALA A 1 31  ? -23.386 -7.926  -0.874  1.00 10.22 ? 234 ALA A N   1 
ATOM   249  C  CA  . ALA A 1 31  ? -23.134 -7.778  0.572   1.00 10.96 ? 234 ALA A CA  1 
ATOM   250  C  C   . ALA A 1 31  ? -21.646 -7.545  0.840   1.00 11.28 ? 234 ALA A C   1 
ATOM   251  O  O   . ALA A 1 31  ? -21.314 -6.646  1.589   1.00 13.15 ? 234 ALA A O   1 
ATOM   252  C  CB  . ALA A 1 31  ? -23.636 -8.953  1.371   1.00 11.61 ? 234 ALA A CB  1 
ATOM   253  N  N   . PHE A 1 32  ? -20.750 -8.382  0.352   1.00 9.70  ? 235 PHE A N   1 
ATOM   254  C  CA  . PHE A 1 32  ? -19.342 -8.249  0.777   1.00 9.18  ? 235 PHE A CA  1 
ATOM   255  C  C   . PHE A 1 32  ? -18.632 -7.149  -0.009  1.00 10.34 ? 235 PHE A C   1 
ATOM   256  O  O   . PHE A 1 32  ? -17.618 -6.663  0.529   1.00 12.72 ? 235 PHE A O   1 
ATOM   257  C  CB  . PHE A 1 32  ? -18.597 -9.579  0.727   1.00 9.96  ? 235 PHE A CB  1 
ATOM   258  C  CG  . PHE A 1 32  ? -18.199 -10.127 -0.623  1.00 9.90  ? 235 PHE A CG  1 
ATOM   259  C  CD1 . PHE A 1 32  ? -17.097 -9.624  -1.300  1.00 10.56 ? 235 PHE A CD1 1 
ATOM   260  C  CD2 . PHE A 1 32  ? -18.856 -11.203 -1.170  1.00 9.33  ? 235 PHE A CD2 1 
ATOM   261  C  CE1 . PHE A 1 32  ? -16.662 -10.178 -2.503  1.00 9.95  ? 235 PHE A CE1 1 
ATOM   262  C  CE2 . PHE A 1 32  ? -18.427 -11.757 -2.370  1.00 9.57  ? 235 PHE A CE2 1 
ATOM   263  C  CZ  . PHE A 1 32  ? -17.348 -11.237 -3.061  1.00 10.17 ? 235 PHE A CZ  1 
ATOM   264  N  N   . THR A 1 33  ? -19.129 -6.712  -1.158  1.00 10.42 ? 236 THR A N   1 
ATOM   265  C  CA  . THR A 1 33  ? -18.524 -5.543  -1.879  1.00 10.55 ? 236 THR A CA  1 
ATOM   266  C  C   . THR A 1 33  ? -19.134 -4.182  -1.482  1.00 12.63 ? 236 THR A C   1 
ATOM   267  O  O   . THR A 1 33  ? -18.604 -3.169  -1.956  1.00 13.46 ? 236 THR A O   1 
ATOM   268  C  CB  . THR A 1 33  ? -18.637 -5.726  -3.383  1.00 10.33 ? 236 THR A CB  1 
ATOM   269  O  OG1 . THR A 1 33  ? -20.015 -5.753  -3.751  1.00 10.75 ? 236 THR A OG1 1 
ATOM   270  C  CG2 . THR A 1 33  ? -17.913 -6.975  -3.836  1.00 11.14 ? 236 THR A CG2 1 
ATOM   271  N  N   . HIS A 1 34  ? -20.232 -4.179  -0.735  1.00 12.66 ? 237 HIS A N   1 
ATOM   272  C  CA  . HIS A 1 34  ? -20.942 -2.943  -0.299  1.00 14.75 ? 237 HIS A CA  1 
ATOM   273  C  C   . HIS A 1 34  ? -21.377 -2.155  -1.528  1.00 15.14 ? 237 HIS A C   1 
ATOM   274  O  O   . HIS A 1 34  ? -21.358 -0.903  -1.493  1.00 18.24 ? 237 HIS A O   1 
ATOM   275  C  CB  . HIS A 1 34  ? -20.058 -2.093  0.616   1.00 17.08 ? 237 HIS A CB  1 
ATOM   276  C  CG  . HIS A 1 34  ? -19.514 -2.849  1.771   1.00 21.67 ? 237 HIS A CG  1 
ATOM   277  N  ND1 . HIS A 1 34  ? -20.270 -3.725  2.514   1.00 29.10 ? 237 HIS A ND1 1 
ATOM   278  C  CD2 . HIS A 1 34  ? -18.279 -2.873  2.306   1.00 30.56 ? 237 HIS A CD2 1 
ATOM   279  C  CE1 . HIS A 1 34  ? -19.528 -4.250  3.473   1.00 27.35 ? 237 HIS A CE1 1 
ATOM   280  N  NE2 . HIS A 1 34  ? -18.304 -3.769  3.349   1.00 33.67 ? 237 HIS A NE2 1 
ATOM   281  N  N   . ALA A 1 35  ? -21.839 -2.834  -2.578  1.00 12.85 ? 238 ALA A N   1 
ATOM   282  C  CA  . ALA A 1 35  ? -22.250 -2.147  -3.812  1.00 13.23 ? 238 ALA A CA  1 
ATOM   283  C  C   . ALA A 1 35  ? -23.162 -3.039  -4.624  1.00 13.38 ? 238 ALA A C   1 
ATOM   284  O  O   . ALA A 1 35  ? -23.028 -4.264  -4.573  1.00 13.29 ? 238 ALA A O   1 
ATOM   285  C  CB  . ALA A 1 35  ? -21.058 -1.778  -4.640  1.00 13.30 ? 238 ALA A CB  1 
ATOM   286  N  N   . PRO A 1 36  ? -24.069 -2.442  -5.432  1.00 14.33 ? 239 PRO A N   1 
ATOM   287  C  CA  . PRO A 1 36  ? -24.882 -3.236  -6.329  1.00 13.43 ? 239 PRO A CA  1 
ATOM   288  C  C   . PRO A 1 36  ? -24.000 -4.146  -7.197  1.00 12.06 ? 239 PRO A C   1 
ATOM   289  O  O   . PRO A 1 36  ? -22.921 -3.780  -7.597  1.00 12.46 ? 239 PRO A O   1 
ATOM   290  C  CB  . PRO A 1 36  ? -25.650 -2.210  -7.168  1.00 14.78 ? 239 PRO A CB  1 
ATOM   291  C  CG  . PRO A 1 36  ? -25.712 -0.995  -6.266  1.00 15.92 ? 239 PRO A CG  1 
ATOM   292  C  CD  . PRO A 1 36  ? -24.391 -0.998  -5.519  1.00 15.95 ? 239 PRO A CD  1 
ATOM   293  N  N   . ALA A 1 37  ? -24.525 -5.303  -7.500  1.00 11.85 ? 240 ALA A N   1 
ATOM   294  C  CA  . ALA A 1 37  ? -23.837 -6.285  -8.368  1.00 12.05 ? 240 ALA A CA  1 
ATOM   295  C  C   . ALA A 1 37  ? -24.856 -6.906  -9.293  1.00 12.99 ? 240 ALA A C   1 
ATOM   296  O  O   . ALA A 1 37  ? -26.002 -7.140  -8.881  1.00 14.07 ? 240 ALA A O   1 
ATOM   297  C  CB  . ALA A 1 37  ? -23.153 -7.321  -7.522  1.00 13.17 ? 240 ALA A CB  1 
ATOM   298  N  N   . THR A 1 38  ? -24.411 -7.213  -10.496 1.00 11.64 ? 241 THR A N   1 
ATOM   299  C  CA  . THR A 1 38  ? -25.202 -8.075  -11.404 1.00 12.96 ? 241 THR A CA  1 
ATOM   300  C  C   . THR A 1 38  ? -24.323 -9.285  -11.682 1.00 11.60 ? 241 THR A C   1 
ATOM   301  O  O   . THR A 1 38  ? -23.124 -9.102  -11.949 1.00 13.53 ? 241 THR A O   1 
ATOM   302  C  CB  . THR A 1 38  ? -25.702 -7.374  -12.667 1.00 16.42 ? 241 THR A CB  1 
ATOM   303  O  OG1 . THR A 1 38  ? -24.616 -6.959  -13.456 1.00 19.58 ? 241 THR A OG1 1 
ATOM   304  C  CG2 . THR A 1 38  ? -26.556 -6.172  -12.352 1.00 18.21 ? 241 THR A CG2 1 
ATOM   305  N  N   . LEU A 1 39  ? -24.846 -10.470 -11.483 1.00 11.14 ? 242 LEU A N   1 
ATOM   306  C  CA  . LEU A 1 39  ? -24.063 -11.712 -11.619 1.00 11.17 ? 242 LEU A CA  1 
ATOM   307  C  C   . LEU A 1 39  ? -24.973 -12.793 -12.207 1.00 12.02 ? 242 LEU A C   1 
ATOM   308  O  O   . LEU A 1 39  ? -25.978 -13.136 -11.576 1.00 13.39 ? 242 LEU A O   1 
ATOM   309  C  CB  . LEU A 1 39  ? -23.541 -12.089 -10.243 1.00 12.85 ? 242 LEU A CB  1 
ATOM   310  C  CG  . LEU A 1 39  ? -22.443 -13.130 -10.165 1.00 13.13 ? 242 LEU A CG  1 
ATOM   311  C  CD1 . LEU A 1 39  ? -21.696 -13.044 -8.873  1.00 12.82 ? 242 LEU A CD1 1 
ATOM   312  C  CD2 . LEU A 1 39  ? -23.060 -14.519 -10.268 1.00 14.96 ? 242 LEU A CD2 1 
ATOM   313  N  N   . GLU A 1 40  ? -24.666 -13.257 -13.411 1.00 10.04 ? 243 GLU A N   1 
ATOM   314  C  CA  . GLU A 1 40  ? -25.394 -14.345 -14.100 1.00 10.55 ? 243 GLU A CA  1 
ATOM   315  C  C   . GLU A 1 40  ? -24.595 -15.619 -13.834 1.00 9.50  ? 243 GLU A C   1 
ATOM   316  O  O   . GLU A 1 40  ? -23.551 -15.797 -14.482 1.00 10.24 ? 243 GLU A O   1 
ATOM   317  C  CB  . GLU A 1 40  ? -25.521 -14.006 -15.571 1.00 11.23 ? 243 GLU A CB  1 
ATOM   318  C  CG  . GLU A 1 40  ? -26.281 -12.725 -15.859 1.00 12.93 ? 243 GLU A CG  1 
ATOM   319  C  CD  . GLU A 1 40  ? -26.250 -12.262 -17.293 1.00 14.82 ? 243 GLU A CD  1 
ATOM   320  O  OE1 . GLU A 1 40  ? -25.373 -12.679 -18.095 1.00 12.95 ? 243 GLU A OE1 1 
ATOM   321  O  OE2 . GLU A 1 40  ? -27.151 -11.440 -17.616 1.00 19.34 ? 243 GLU A OE2 1 
ATOM   322  N  N   . ALA A 1 41  ? -25.030 -16.436 -12.892 1.00 9.80  ? 244 ALA A N   1 
ATOM   323  C  CA  . ALA A 1 41  ? -24.256 -17.594 -12.412 1.00 10.43 ? 244 ALA A CA  1 
ATOM   324  C  C   . ALA A 1 41  ? -24.394 -18.777 -13.379 1.00 10.10 ? 244 ALA A C   1 
ATOM   325  O  O   . ALA A 1 41  ? -24.811 -19.838 -12.960 1.00 11.69 ? 244 ALA A O   1 
ATOM   326  C  CB  . ALA A 1 41  ? -24.661 -17.985 -11.028 1.00 12.13 ? 244 ALA A CB  1 
ATOM   327  N  N   . ASP A 1 42  ? -23.981 -18.562 -14.617 1.00 9.09  ? 245 ASP A N   1 
ATOM   328  C  CA  . ASP A 1 42  ? -24.054 -19.526 -15.738 1.00 9.35  ? 245 ASP A CA  1 
ATOM   329  C  C   . ASP A 1 42  ? -22.720 -19.489 -16.465 1.00 8.91  ? 245 ASP A C   1 
ATOM   330  O  O   . ASP A 1 42  ? -22.142 -18.403 -16.556 1.00 8.63  ? 245 ASP A O   1 
ATOM   331  C  CB  . ASP A 1 42  ? -25.132 -19.086 -16.738 1.00 9.43  ? 245 ASP A CB  1 
ATOM   332  C  CG  . ASP A 1 42  ? -26.589 -19.050 -16.274 1.00 11.93 ? 245 ASP A CG  1 
ATOM   333  O  OD1 . ASP A 1 42  ? -27.001 -19.889 -15.500 1.00 12.36 ? 245 ASP A OD1 1 
ATOM   334  O  OD2 . ASP A 1 42  ? -27.297 -18.194 -16.777 1.00 15.88 ? 245 ASP A OD2 1 
ATOM   335  N  N   . ARG A 1 43  ? -22.316 -20.596 -17.058 1.00 8.35  ? 246 ARG A N   1 
ATOM   336  C  CA  . ARG A 1 43  ? -21.283 -20.545 -18.105 1.00 9.35  ? 246 ARG A CA  1 
ATOM   337  C  C   . ARG A 1 43  ? -21.770 -19.596 -19.209 1.00 9.20  ? 246 ARG A C   1 
ATOM   338  O  O   . ARG A 1 43  ? -22.881 -19.790 -19.731 1.00 9.44  ? 246 ARG A O   1 
ATOM   339  C  CB  . ARG A 1 43  ? -20.982 -21.939 -18.648 1.00 10.46 ? 246 ARG A CB  1 
ATOM   340  C  CG  . ARG A 1 43  ? -19.931 -21.914 -19.746 1.00 13.59 ? 246 ARG A CG  1 
ATOM   341  C  CD  . ARG A 1 43  ? -19.509 -23.333 -20.097 1.00 16.39 ? 246 ARG A CD  1 
ATOM   342  N  NE  . ARG A 1 43  ? -18.214 -23.211 -20.755 1.00 21.40 ? 246 ARG A NE  1 
ATOM   343  C  CZ  . ARG A 1 43  ? -18.065 -22.847 -22.027 1.00 24.47 ? 246 ARG A CZ  1 
ATOM   344  N  NH1 . ARG A 1 43  ? -19.119 -22.692 -22.808 1.00 25.95 ? 246 ARG A NH1 1 
ATOM   345  N  NH2 . ARG A 1 43  ? -16.857 -22.683 -22.542 1.00 29.69 ? 246 ARG A NH2 1 
ATOM   346  N  N   . GLY A 1 44  ? -20.978 -18.601 -19.577 1.00 8.26  ? 247 GLY A N   1 
ATOM   347  C  CA  . GLY A 1 44  ? -21.360 -17.540 -20.520 1.00 8.30  ? 247 GLY A CA  1 
ATOM   348  C  C   . GLY A 1 44  ? -22.043 -16.375 -19.846 1.00 8.59  ? 247 GLY A C   1 
ATOM   349  O  O   . GLY A 1 44  ? -22.319 -15.392 -20.526 1.00 11.23 ? 247 GLY A O   1 
ATOM   350  N  N   . GLY A 1 45  ? -22.333 -16.472 -18.568 1.00 7.79  ? 248 GLY A N   1 
ATOM   351  C  CA  . GLY A 1 45  ? -22.986 -15.399 -17.830 1.00 8.03  ? 248 GLY A CA  1 
ATOM   352  C  C   . GLY A 1 45  ? -22.032 -14.238 -17.553 1.00 8.03  ? 248 GLY A C   1 
ATOM   353  O  O   . GLY A 1 45  ? -20.833 -14.473 -17.328 1.00 7.77  ? 248 GLY A O   1 
ATOM   354  N  N   . LYS A 1 46  ? -22.529 -13.022 -17.541 1.00 9.45  ? 249 LYS A N   1 
ATOM   355  C  CA  . LYS A 1 46  ? -21.725 -11.804 -17.303 1.00 9.27  ? 249 LYS A CA  1 
ATOM   356  C  C   . LYS A 1 46  ? -21.821 -11.438 -15.830 1.00 9.72  ? 249 LYS A C   1 
ATOM   357  O  O   . LYS A 1 46  ? -22.862 -11.747 -15.145 1.00 10.37 ? 249 LYS A O   1 
ATOM   358  C  CB  . LYS A 1 46  ? -22.214 -10.648 -18.185 1.00 10.46 ? 249 LYS A CB  1 
ATOM   359  C  CG  . LYS A 1 46  ? -22.202 -10.939 -19.680 1.00 13.67 ? 249 LYS A CG  1 
ATOM   360  C  CD  . LYS A 1 46  ? -20.903 -11.353 -20.218 1.00 16.40 ? 249 LYS A CD  1 
ATOM   361  C  CE  . LYS A 1 46  ? -20.823 -11.352 -21.734 1.00 18.32 ? 249 LYS A CE  1 
ATOM   362  N  NZ  . LYS A 1 46  ? -19.424 -11.527 -22.216 1.00 21.62 ? 249 LYS A NZ  1 
ATOM   363  N  N   . PHE A 1 47  ? -20.839 -10.710 -15.333 1.00 9.36  ? 250 PHE A N   1 
ATOM   364  C  CA  . PHE A 1 47  ? -20.926 -10.094 -13.997 1.00 9.42  ? 250 PHE A CA  1 
ATOM   365  C  C   . PHE A 1 47  ? -20.369 -8.678  -14.090 1.00 10.07 ? 250 PHE A C   1 
ATOM   366  O  O   . PHE A 1 47  ? -19.516 -8.381  -14.940 1.00 9.70  ? 250 PHE A O   1 
ATOM   367  C  CB  . PHE A 1 47  ? -20.215 -10.847 -12.884 1.00 9.53  ? 250 PHE A CB  1 
ATOM   368  C  CG  . PHE A 1 47  ? -18.760 -11.144 -13.133 1.00 8.63  ? 250 PHE A CG  1 
ATOM   369  C  CD1 . PHE A 1 47  ? -18.383 -12.303 -13.794 1.00 8.84  ? 250 PHE A CD1 1 
ATOM   370  C  CD2 . PHE A 1 47  ? -17.773 -10.289 -12.689 1.00 9.02  ? 250 PHE A CD2 1 
ATOM   371  C  CE1 . PHE A 1 47  ? -17.049 -12.598 -14.025 1.00 9.34  ? 250 PHE A CE1 1 
ATOM   372  C  CE2 . PHE A 1 47  ? -16.448 -10.571 -12.957 1.00 8.91  ? 250 PHE A CE2 1 
ATOM   373  C  CZ  . PHE A 1 47  ? -16.087 -11.688 -13.657 1.00 9.42  ? 250 PHE A CZ  1 
ATOM   374  N  N   . HIS A 1 48  ? -20.951 -7.818  -13.261 1.00 10.68 ? 251 HIS A N   1 
ATOM   375  C  CA  . HIS A 1 48  ? -20.586 -6.399  -13.111 1.00 11.78 ? 251 HIS A CA  1 
ATOM   376  C  C   . HIS A 1 48  ? -20.696 -6.044  -11.640 1.00 12.07 ? 251 HIS A C   1 
ATOM   377  O  O   . HIS A 1 48  ? -21.728 -6.321  -11.018 1.00 12.44 ? 251 HIS A O   1 
ATOM   378  C  CB  . HIS A 1 48  ? -21.503 -5.495  -13.962 1.00 14.85 ? 251 HIS A CB  1 
ATOM   379  C  CG  . HIS A 1 48  ? -21.412 -5.745  -15.427 1.00 19.27 ? 251 HIS A CG  1 
ATOM   380  N  ND1 . HIS A 1 48  ? -22.242 -6.653  -16.078 1.00 26.14 ? 251 HIS A ND1 1 
ATOM   381  C  CD2 . HIS A 1 48  ? -20.627 -5.191  -16.376 1.00 21.53 ? 251 HIS A CD2 1 
ATOM   382  C  CE1 . HIS A 1 48  ? -21.923 -6.683  -17.359 1.00 24.69 ? 251 HIS A CE1 1 
ATOM   383  N  NE2 . HIS A 1 48  ? -20.944 -5.808  -17.563 1.00 25.71 ? 251 HIS A NE2 1 
ATOM   384  N  N   . MET A 1 49  ? -19.650 -5.457  -11.082 1.00 10.52 ? 252 MET A N   1 
ATOM   385  C  CA  . MET A 1 49  ? -19.516 -5.247  -9.623  1.00 11.30 ? 252 MET A CA  1 
ATOM   386  C  C   . MET A 1 49  ? -18.916 -3.855  -9.374  1.00 11.20 ? 252 MET A C   1 
ATOM   387  O  O   . MET A 1 49  ? -18.264 -3.280  -10.308 1.00 11.13 ? 252 MET A O   1 
ATOM   388  C  CB  . MET A 1 49  ? -18.583 -6.309  -9.037  1.00 13.82 ? 252 MET A CB  1 
ATOM   389  C  CG  . MET A 1 49  ? -19.150 -7.710  -9.088  1.00 16.23 ? 252 MET A CG  1 
ATOM   390  S  SD  . MET A 1 49  ? -17.860 -8.954  -8.957  1.00 18.43 ? 252 MET A SD  1 
ATOM   391  C  CE  . MET A 1 49  ? -17.204 -8.443  -7.386  1.00 13.79 ? 252 MET A CE  1 
ATOM   392  N  N   . VAL A 1 50  ? -19.106 -3.341  -8.159  1.00 11.42 ? 253 VAL A N   1 
ATOM   393  C  CA  . VAL A 1 50  ? -18.411 -2.135  -7.623  1.00 12.60 ? 253 VAL A CA  1 
ATOM   394  C  C   . VAL A 1 50  ? -18.431 -0.996  -8.660  1.00 13.40 ? 253 VAL A C   1 
ATOM   395  O  O   . VAL A 1 50  ? -17.341 -0.529  -9.103  1.00 13.84 ? 253 VAL A O   1 
ATOM   396  C  CB  . VAL A 1 50  ? -17.016 -2.497  -7.069  1.00 12.83 ? 253 VAL A CB  1 
ATOM   397  C  CG1 . VAL A 1 50  ? -17.174 -3.384  -5.847  1.00 12.97 ? 253 VAL A CG1 1 
ATOM   398  C  CG2 . VAL A 1 50  ? -16.060 -3.175  -8.034  1.00 12.61 ? 253 VAL A CG2 1 
ATOM   399  N  N   . ASP A 1 51  ? -19.635 -0.574  -9.015  1.00 15.24 ? 254 ASP A N   1 
ATOM   400  C  CA  . ASP A 1 51  ? -19.890 0.608   -9.873  1.00 19.35 ? 254 ASP A CA  1 
ATOM   401  C  C   . ASP A 1 51  ? -19.224 0.368   -11.216 1.00 18.39 ? 254 ASP A C   1 
ATOM   402  O  O   . ASP A 1 51  ? -18.774 1.360   -11.844 1.00 19.77 ? 254 ASP A O   1 
ATOM   403  C  CB  . ASP A 1 51  ? -19.438 1.906   -9.206  1.00 23.07 ? 254 ASP A CB  1 
ATOM   404  C  CG  . ASP A 1 51  ? -20.036 3.146   -9.884  1.00 30.63 ? 254 ASP A CG  1 
ATOM   405  O  OD1 . ASP A 1 51  ? -21.280 3.190   -10.059 1.00 38.25 ? 254 ASP A OD1 1 
ATOM   406  O  OD2 . ASP A 1 51  ? -19.255 4.031   -10.281 1.00 32.52 ? 254 ASP A OD2 1 
ATOM   407  N  N   . GLY A 1 52  ? -19.173 -0.891  -11.662 1.00 15.00 ? 255 GLY A N   1 
ATOM   408  C  CA  . GLY A 1 52  ? -18.608 -1.252  -12.969 1.00 15.28 ? 255 GLY A CA  1 
ATOM   409  C  C   . GLY A 1 52  ? -17.106 -1.309  -12.970 1.00 15.36 ? 255 GLY A C   1 
ATOM   410  O  O   . GLY A 1 52  ? -16.525 -1.597  -14.010 1.00 16.94 ? 255 GLY A O   1 
ATOM   411  N  N   . ASN A 1 53  ? -16.461 -1.147  -11.832 1.00 12.72 ? 256 ASN A N   1 
ATOM   412  C  CA  . ASN A 1 53  ? -14.990 -1.162  -11.766 1.00 12.56 ? 256 ASN A CA  1 
ATOM   413  C  C   . ASN A 1 53  ? -14.474 -2.577  -11.954 1.00 10.61 ? 256 ASN A C   1 
ATOM   414  O  O   . ASN A 1 53  ? -13.274 -2.716  -12.259 1.00 12.57 ? 256 ASN A O   1 
ATOM   415  C  CB  . ASN A 1 53  ? -14.476 -0.555  -10.467 1.00 12.66 ? 256 ASN A CB  1 
ATOM   416  C  CG  . ASN A 1 53  ? -14.501 0.951   -10.528 1.00 17.54 ? 256 ASN A CG  1 
ATOM   417  O  OD1 . ASN A 1 53  ? -15.209 1.627   -9.765  1.00 20.85 ? 256 ASN A OD1 1 
ATOM   418  N  ND2 . ASN A 1 53  ? -13.705 1.487   -11.433 1.00 17.34 ? 256 ASN A ND2 1 
ATOM   419  N  N   . VAL A 1 54  ? -15.304 -3.604  -11.762 1.00 10.31 ? 257 VAL A N   1 
ATOM   420  C  CA  . VAL A 1 54  ? -14.912 -5.001  -12.041 1.00 10.81 ? 257 VAL A CA  1 
ATOM   421  C  C   . VAL A 1 54  ? -16.000 -5.633  -12.878 1.00 10.44 ? 257 VAL A C   1 
ATOM   422  O  O   . VAL A 1 54  ? -17.217 -5.469  -12.600 1.00 10.39 ? 257 VAL A O   1 
ATOM   423  C  CB  . VAL A 1 54  ? -14.689 -5.778  -10.746 1.00 11.17 ? 257 VAL A CB  1 
ATOM   424  C  CG1 . VAL A 1 54  ? -14.628 -7.291  -10.923 1.00 11.56 ? 257 VAL A CG1 1 
ATOM   425  C  CG2 . VAL A 1 54  ? -13.505 -5.218  -10.006 1.00 11.42 ? 257 VAL A CG2 1 
ATOM   426  N  N   . SER A 1 55  ? -15.604 -6.320  -13.919 1.00 9.32  ? 258 SER A N   1 
ATOM   427  C  CA  . SER A 1 55  ? -16.580 -7.024  -14.771 1.00 10.25 ? 258 SER A CA  1 
ATOM   428  C  C   . SER A 1 55  ? -15.946 -8.209  -15.442 1.00 8.98  ? 258 SER A C   1 
ATOM   429  O  O   . SER A 1 55  ? -14.714 -8.336  -15.424 1.00 9.12  ? 258 SER A O   1 
ATOM   430  C  CB  . SER A 1 55  ? -17.182 -6.103  -15.779 1.00 10.71 ? 258 SER A CB  1 
ATOM   431  O  OG  . SER A 1 55  ? -16.187 -5.579  -16.638 1.00 12.45 ? 258 SER A OG  1 
ATOM   432  N  N   . GLY A 1 56  ? -16.777 -9.023  -16.073 1.00 8.12  ? 259 GLY A N   1 
ATOM   433  C  CA  . GLY A 1 56  ? -16.273 -10.151 -16.828 1.00 8.48  ? 259 GLY A CA  1 
ATOM   434  C  C   . GLY A 1 56  ? -17.334 -11.159 -17.144 1.00 8.82  ? 259 GLY A C   1 
ATOM   435  O  O   . GLY A 1 56  ? -18.527 -10.790 -17.203 1.00 7.60  ? 259 GLY A O   1 
ATOM   436  N  N   . GLU A 1 57  ? -16.904 -12.378 -17.376 1.00 8.37  ? 260 GLU A N   1 
ATOM   437  C  CA  . GLU A 1 57  ? -17.790 -13.491 -17.816 1.00 9.99  ? 260 GLU A CA  1 
ATOM   438  C  C   . GLU A 1 57  ? -17.325 -14.775 -17.150 1.00 8.98  ? 260 GLU A C   1 
ATOM   439  O  O   . GLU A 1 57  ? -16.117 -15.023 -17.096 1.00 8.74  ? 260 GLU A O   1 
ATOM   440  C  CB  . GLU A 1 57  ? -17.717 -13.658 -19.325 1.00 13.00 ? 260 GLU A CB  1 
ATOM   441  C  CG  . GLU A 1 57  ? -18.579 -14.772 -19.887 1.00 15.19 ? 260 GLU A CG  1 
ATOM   442  C  CD  . GLU A 1 57  ? -18.326 -14.943 -21.373 1.00 19.73 ? 260 GLU A CD  1 
ATOM   443  O  OE1 . GLU A 1 57  ? -18.565 -13.966 -22.103 1.00 21.16 ? 260 GLU A OE1 1 
ATOM   444  O  OE2 . GLU A 1 57  ? -17.927 -16.067 -21.758 1.00 25.46 ? 260 GLU A OE2 1 
ATOM   445  N  N   . PHE A 1 58  ? -18.235 -15.623 -16.687 1.00 7.90  ? 261 PHE A N   1 
ATOM   446  C  CA  . PHE A 1 58  ? -17.859 -16.973 -16.219 1.00 8.35  ? 261 PHE A CA  1 
ATOM   447  C  C   . PHE A 1 58  ? -17.665 -17.872 -17.441 1.00 8.75  ? 261 PHE A C   1 
ATOM   448  O  O   . PHE A 1 58  ? -18.539 -17.918 -18.344 1.00 9.86  ? 261 PHE A O   1 
ATOM   449  C  CB  . PHE A 1 58  ? -18.945 -17.550 -15.333 1.00 9.33  ? 261 PHE A CB  1 
ATOM   450  C  CG  . PHE A 1 58  ? -19.200 -16.736 -14.096 1.00 10.00 ? 261 PHE A CG  1 
ATOM   451  C  CD1 . PHE A 1 58  ? -18.318 -16.787 -13.026 1.00 11.25 ? 261 PHE A CD1 1 
ATOM   452  C  CD2 . PHE A 1 58  ? -20.352 -15.995 -13.954 1.00 11.03 ? 261 PHE A CD2 1 
ATOM   453  C  CE1 . PHE A 1 58  ? -18.568 -16.075 -11.866 1.00 11.74 ? 261 PHE A CE1 1 
ATOM   454  C  CE2 . PHE A 1 58  ? -20.603 -15.279 -12.793 1.00 11.74 ? 261 PHE A CE2 1 
ATOM   455  C  CZ  . PHE A 1 58  ? -19.706 -15.310 -11.749 1.00 12.36 ? 261 PHE A CZ  1 
ATOM   456  N  N   . THR A 1 59  ? -16.571 -18.615 -17.490 1.00 8.76  ? 262 THR A N   1 
ATOM   457  C  CA  . THR A 1 59  ? -16.315 -19.555 -18.610 1.00 9.41  ? 262 THR A CA  1 
ATOM   458  C  C   . THR A 1 59  ? -16.393 -21.001 -18.140 1.00 11.21 ? 262 THR A C   1 
ATOM   459  O  O   . THR A 1 59  ? -16.454 -21.871 -19.011 1.00 13.02 ? 262 THR A O   1 
ATOM   460  C  CB  . THR A 1 59  ? -15.013 -19.228 -19.332 1.00 10.25 ? 262 THR A CB  1 
ATOM   461  O  OG1 . THR A 1 59  ? -13.903 -19.426 -18.457 1.00 10.58 ? 262 THR A OG1 1 
ATOM   462  C  CG2 . THR A 1 59  ? -14.981 -17.821 -19.852 1.00 10.28 ? 262 THR A CG2 1 
ATOM   463  N  N   . ASP A 1 60  ? -16.410 -21.283 -16.836 1.00 11.43 ? 263 ASP A N   1 
ATOM   464  C  CA  . ASP A 1 60  ? -16.542 -22.686 -16.346 1.00 13.79 ? 263 ASP A CA  1 
ATOM   465  C  C   . ASP A 1 60  ? -17.015 -22.588 -14.910 1.00 13.19 ? 263 ASP A C   1 
ATOM   466  O  O   . ASP A 1 60  ? -16.420 -21.805 -14.134 1.00 12.13 ? 263 ASP A O   1 
ATOM   467  C  CB  . ASP A 1 60  ? -15.228 -23.465 -16.439 1.00 17.31 ? 263 ASP A CB  1 
ATOM   468  C  CG  . ASP A 1 60  ? -15.307 -24.991 -16.242 1.00 22.41 ? 263 ASP A CG  1 
ATOM   469  O  OD1 . ASP A 1 60  ? -16.382 -25.547 -16.385 1.00 28.53 ? 263 ASP A OD1 1 
ATOM   470  O  OD2 . ASP A 1 60  ? -14.259 -25.613 -16.000 1.00 26.95 ? 263 ASP A OD2 1 
ATOM   471  N  N   . LEU A 1 61  ? -18.078 -23.291 -14.566 1.00 13.18 ? 264 LEU A N   1 
ATOM   472  C  CA  . LEU A 1 61  ? -18.674 -23.262 -13.211 1.00 13.08 ? 264 LEU A CA  1 
ATOM   473  C  C   . LEU A 1 61  ? -19.009 -24.696 -12.833 1.00 16.67 ? 264 LEU A C   1 
ATOM   474  O  O   . LEU A 1 61  ? -19.986 -25.259 -13.423 1.00 17.99 ? 264 LEU A O   1 
ATOM   475  C  CB  . LEU A 1 61  ? -19.950 -22.428 -13.116 1.00 13.60 ? 264 LEU A CB  1 
ATOM   476  C  CG  . LEU A 1 61  ? -19.845 -20.918 -13.272 1.00 14.47 ? 264 LEU A CG  1 
ATOM   477  C  CD1 . LEU A 1 61  ? -21.227 -20.274 -13.323 1.00 15.85 ? 264 LEU A CD1 1 
ATOM   478  C  CD2 . LEU A 1 61  ? -19.023 -20.297 -12.163 1.00 13.56 ? 264 LEU A CD2 1 
ATOM   479  N  N   . VAL A 1 62  ? -18.239 -25.275 -11.925 1.00 14.84 ? 265 VAL A N   1 
ATOM   480  C  CA  . VAL A 1 62  ? -18.448 -26.652 -11.387 1.00 17.92 ? 265 VAL A CA  1 
ATOM   481  C  C   . VAL A 1 62  ? -18.744 -26.475 -9.908  1.00 17.43 ? 265 VAL A C   1 
ATOM   482  O  O   . VAL A 1 62  ? -17.813 -26.236 -9.134  1.00 15.24 ? 265 VAL A O   1 
ATOM   483  C  CB  . VAL A 1 62  ? -17.233 -27.557 -11.621 1.00 17.86 ? 265 VAL A CB  1 
ATOM   484  C  CG1 . VAL A 1 62  ? -17.430 -28.969 -11.028 1.00 19.34 ? 265 VAL A CG1 1 
ATOM   485  C  CG2 . VAL A 1 62  ? -16.884 -27.638 -13.099 1.00 19.87 ? 265 VAL A CG2 1 
ATOM   486  N  N   . PRO A 1 63  ? -20.031 -26.507 -9.479  1.00 17.40 ? 266 PRO A N   1 
ATOM   487  C  CA  . PRO A 1 63  ? -20.403 -26.183 -8.104  1.00 19.36 ? 266 PRO A CA  1 
ATOM   488  C  C   . PRO A 1 63  ? -19.584 -26.936 -7.044  1.00 19.16 ? 266 PRO A C   1 
ATOM   489  O  O   . PRO A 1 63  ? -19.317 -28.132 -7.152  1.00 18.32 ? 266 PRO A O   1 
ATOM   490  C  CB  . PRO A 1 63  ? -21.898 -26.530 -7.977  1.00 22.10 ? 266 PRO A CB  1 
ATOM   491  C  CG  . PRO A 1 63  ? -22.402 -26.513 -9.431  1.00 21.86 ? 266 PRO A CG  1 
ATOM   492  C  CD  . PRO A 1 63  ? -21.212 -26.836 -10.311 1.00 21.85 ? 266 PRO A CD  1 
ATOM   493  N  N   . GLU A 1 64  ? -19.103 -26.158 -6.069  1.00 15.66 ? 267 GLU A N   1 
ATOM   494  C  CA  . GLU A 1 64  ? -18.290 -26.564 -4.912  1.00 17.38 ? 267 GLU A CA  1 
ATOM   495  C  C   . GLU A 1 64  ? -16.861 -26.905 -5.319  1.00 15.99 ? 267 GLU A C   1 
ATOM   496  O  O   . GLU A 1 64  ? -16.120 -27.363 -4.448  1.00 17.53 ? 267 GLU A O   1 
ATOM   497  C  CB  . GLU A 1 64  ? -18.897 -27.749 -4.141  1.00 20.22 ? 267 GLU A CB  1 
ATOM   498  C  CG  . GLU A 1 64  ? -20.369 -27.603 -3.886  1.00 22.87 ? 267 GLU A CG  1 
ATOM   499  C  CD  . GLU A 1 64  ? -20.944 -28.644 -2.932  1.00 27.61 ? 267 GLU A CD  1 
ATOM   500  O  OE1 . GLU A 1 64  ? -20.165 -29.429 -2.321  1.00 29.07 ? 267 GLU A OE1 1 
ATOM   501  O  OE2 . GLU A 1 64  ? -22.173 -28.648 -2.783  1.00 32.28 ? 267 GLU A OE2 1 
ATOM   502  N  N   . LYS A 1 65  ? -16.470 -26.752 -6.586  1.00 12.72 ? 268 LYS A N   1 
ATOM   503  C  CA  . LYS A 1 65  ? -15.179 -27.285 -7.052  1.00 14.77 ? 268 LYS A CA  1 
ATOM   504  C  C   . LYS A 1 65  ? -14.352 -26.208 -7.739  1.00 12.04 ? 268 LYS A C   1 
ATOM   505  O  O   . LYS A 1 65  ? -13.157 -26.043 -7.396  1.00 11.40 ? 268 LYS A O   1 
ATOM   506  C  CB  . LYS A 1 65  ? -15.399 -28.428 -8.037  1.00 19.01 ? 268 LYS A CB  1 
ATOM   507  C  CG  . LYS A 1 65  ? -16.176 -29.603 -7.452  1.00 24.97 ? 268 LYS A CG  1 
ATOM   508  C  CD  . LYS A 1 65  ? -15.479 -30.234 -6.272  1.00 31.08 ? 268 LYS A CD  1 
ATOM   509  C  CE  . LYS A 1 65  ? -15.887 -31.674 -5.999  1.00 38.05 ? 268 LYS A CE  1 
ATOM   510  N  NZ  . LYS A 1 65  ? -17.210 -32.014 -6.581  1.00 43.31 ? 268 LYS A NZ  1 
ATOM   511  N  N   . HIS A 1 66  ? -14.892 -25.540 -8.744  1.00 11.61 ? 269 HIS A N   1 
ATOM   512  C  CA  . HIS A 1 66  ? -14.074 -24.527 -9.427  1.00 14.80 ? 269 HIS A CA  1 
ATOM   513  C  C   . HIS A 1 66  ? -14.911 -23.507 -10.160 1.00 11.96 ? 269 HIS A C   1 
ATOM   514  O  O   . HIS A 1 66  ? -16.047 -23.791 -10.599 1.00 11.65 ? 269 HIS A O   1 
ATOM   515  C  CB  . HIS A 1 66  ? -12.948 -25.080 -10.267 1.00 19.23 ? 269 HIS A CB  1 
ATOM   516  C  CG  . HIS A 1 66  ? -13.399 -25.748 -11.488 1.00 22.67 ? 269 HIS A CG  1 
ATOM   517  N  ND1 . HIS A 1 66  ? -13.499 -27.131 -11.552 1.00 28.77 ? 269 HIS A ND1 1 
ATOM   518  C  CD2 . HIS A 1 66  ? -13.755 -25.257 -12.699 1.00 29.08 ? 269 HIS A CD2 1 
ATOM   519  C  CE1 . HIS A 1 66  ? -13.919 -27.460 -12.763 1.00 29.11 ? 269 HIS A CE1 1 
ATOM   520  N  NE2 . HIS A 1 66  ? -14.094 -26.327 -13.483 1.00 32.43 ? 269 HIS A NE2 1 
ATOM   521  N  N   . ILE A 1 67  ? -14.279 -22.374 -10.356 1.00 10.02 ? 270 ILE A N   1 
ATOM   522  C  CA  . ILE A 1 67  ? -14.829 -21.259 -11.144 1.00 9.49  ? 270 ILE A CA  1 
ATOM   523  C  C   . ILE A 1 67  ? -13.720 -20.796 -12.065 1.00 10.41 ? 270 ILE A C   1 
ATOM   524  O  O   . ILE A 1 67  ? -12.604 -20.626 -11.571 1.00 10.20 ? 270 ILE A O   1 
ATOM   525  C  CB  . ILE A 1 67  ? -15.273 -20.115 -10.214 1.00 9.51  ? 270 ILE A CB  1 
ATOM   526  C  CG1 . ILE A 1 67  ? -16.373 -20.577 -9.278  1.00 9.49  ? 270 ILE A CG1 1 
ATOM   527  C  CG2 . ILE A 1 67  ? -15.663 -18.878 -10.998 1.00 10.41 ? 270 ILE A CG2 1 
ATOM   528  C  CD1 . ILE A 1 67  ? -16.703 -19.585 -8.209  1.00 10.10 ? 270 ILE A CD1 1 
ATOM   529  N  N   . VAL A 1 68  ? -13.993 -20.628 -13.341 1.00 8.67  ? 271 VAL A N   1 
ATOM   530  C  CA  . VAL A 1 68  ? -13.046 -19.962 -14.247 1.00 9.47  ? 271 VAL A CA  1 
ATOM   531  C  C   . VAL A 1 68  ? -13.754 -18.727 -14.793 1.00 8.98  ? 271 VAL A C   1 
ATOM   532  O  O   . VAL A 1 68  ? -14.932 -18.815 -15.210 1.00 8.85  ? 271 VAL A O   1 
ATOM   533  C  CB  . VAL A 1 68  ? -12.527 -20.835 -15.398 1.00 10.00 ? 271 VAL A CB  1 
ATOM   534  C  CG1 . VAL A 1 68  ? -11.512 -20.062 -16.198 1.00 10.32 ? 271 VAL A CG1 1 
ATOM   535  C  CG2 . VAL A 1 68  ? -11.954 -22.162 -14.921 1.00 11.23 ? 271 VAL A CG2 1 
ATOM   536  N  N   . MET A 1 69  ? -13.090 -17.607 -14.764 1.00 9.54  ? 272 MET A N   1 
ATOM   537  C  CA  . MET A 1 69  ? -13.710 -16.402 -15.292 1.00 10.68 ? 272 MET A CA  1 
ATOM   538  C  C   . MET A 1 69  ? -12.739 -15.550 -16.066 1.00 9.59  ? 272 MET A C   1 
ATOM   539  O  O   . MET A 1 69  ? -11.534 -15.547 -15.808 1.00 9.07  ? 272 MET A O   1 
ATOM   540  C  CB  . MET A 1 69  ? -14.394 -15.575 -14.219 1.00 15.88 ? 272 MET A CB  1 
ATOM   541  C  CG  . MET A 1 69  ? -13.625 -15.179 -13.101 1.00 16.79 ? 272 MET A CG  1 
ATOM   542  S  SD  . MET A 1 69  ? -14.742 -14.710 -11.602 1.00 15.97 ? 272 MET A SD  1 
ATOM   543  C  CE  . MET A 1 69  ? -13.506 -15.210 -10.431 1.00 16.02 ? 272 MET A CE  1 
ATOM   544  N  N   . LYS A 1 70  ? -13.268 -14.877 -17.064 1.00 7.92  ? 273 LYS A N   1 
ATOM   545  C  CA  . LYS A 1 70  ? -12.634 -13.696 -17.674 1.00 8.23  ? 273 LYS A CA  1 
ATOM   546  C  C   . LYS A 1 70  ? -12.965 -12.506 -16.805 1.00 7.33  ? 273 LYS A C   1 
ATOM   547  O  O   . LYS A 1 70  ? -14.137 -12.323 -16.453 1.00 7.87  ? 273 LYS A O   1 
ATOM   548  C  CB  . LYS A 1 70  ? -13.128 -13.557 -19.097 1.00 8.21  ? 273 LYS A CB  1 
ATOM   549  C  CG  . LYS A 1 70  ? -12.548 -14.636 -19.993 1.00 9.10  ? 273 LYS A CG  1 
ATOM   550  C  CD  . LYS A 1 70  ? -11.112 -14.313 -20.469 1.00 9.96  ? 273 LYS A CD  1 
ATOM   551  C  CE  . LYS A 1 70  ? -10.513 -15.397 -21.328 1.00 11.15 ? 273 LYS A CE  1 
ATOM   552  N  NZ  . LYS A 1 70  ? -9.245  -14.935 -21.932 1.00 11.31 ? 273 LYS A NZ  1 
ATOM   553  N  N   . TRP A 1 71  ? -11.978 -11.737 -16.403 1.00 7.14  ? 274 TRP A N   1 
ATOM   554  C  CA  . TRP A 1 71  ? -12.108 -10.774 -15.299 1.00 7.01  ? 274 TRP A CA  1 
ATOM   555  C  C   . TRP A 1 71  ? -11.257 -9.551  -15.631 1.00 7.60  ? 274 TRP A C   1 
ATOM   556  O  O   . TRP A 1 71  ? -10.103 -9.714  -16.034 1.00 7.60  ? 274 TRP A O   1 
ATOM   557  C  CB  . TRP A 1 71  ? -11.671 -11.443 -14.013 1.00 6.63  ? 274 TRP A CB  1 
ATOM   558  C  CG  . TRP A 1 71  ? -11.908 -10.705 -12.730 1.00 6.75  ? 274 TRP A CG  1 
ATOM   559  C  CD1 . TRP A 1 71  ? -12.865 -10.970 -11.806 1.00 7.15  ? 274 TRP A CD1 1 
ATOM   560  C  CD2 . TRP A 1 71  ? -11.049 -9.706  -12.151 1.00 7.11  ? 274 TRP A CD2 1 
ATOM   561  N  NE1 . TRP A 1 71  ? -12.709 -10.145 -10.727 1.00 8.23  ? 274 TRP A NE1 1 
ATOM   562  C  CE2 . TRP A 1 71  ? -11.597 -9.382  -10.895 1.00 7.53  ? 274 TRP A CE2 1 
ATOM   563  C  CE3 . TRP A 1 71  ? -9.882  -9.047  -12.567 1.00 7.62  ? 274 TRP A CE3 1 
ATOM   564  C  CZ2 . TRP A 1 71  ? -11.047 -8.402  -10.092 1.00 8.01  ? 274 TRP A CZ2 1 
ATOM   565  C  CZ3 . TRP A 1 71  ? -9.354  -8.059  -11.768 1.00 8.35  ? 274 TRP A CZ3 1 
ATOM   566  C  CH2 . TRP A 1 71  ? -9.922  -7.769  -10.528 1.00 8.03  ? 274 TRP A CH2 1 
ATOM   567  N  N   . ARG A 1 72  ? -11.796 -8.377  -15.382 1.00 7.60  ? 275 ARG A N   1 
ATOM   568  C  CA  . ARG A 1 72  ? -11.034 -7.136  -15.614 1.00 8.17  ? 275 ARG A CA  1 
ATOM   569  C  C   . ARG A 1 72  ? -11.442 -6.015  -14.667 1.00 8.23  ? 275 ARG A C   1 
ATOM   570  O  O   . ARG A 1 72  ? -12.540 -6.015  -14.121 1.00 8.13  ? 275 ARG A O   1 
ATOM   571  C  CB  . ARG A 1 72  ? -11.209 -6.649  -17.045 1.00 8.66  ? 275 ARG A CB  1 
ATOM   572  C  CG  . ARG A 1 72  ? -12.659 -6.397  -17.401 1.00 9.09  ? 275 ARG A CG  1 
ATOM   573  C  CD  . ARG A 1 72  ? -12.798 -5.747  -18.744 1.00 10.02 ? 275 ARG A CD  1 
ATOM   574  N  NE  . ARG A 1 72  ? -12.578 -4.306  -18.753 1.00 10.23 ? 275 ARG A NE  1 
ATOM   575  C  CZ  . ARG A 1 72  ? -11.572 -3.677  -19.353 1.00 9.60  ? 275 ARG A CZ  1 
ATOM   576  N  NH1 . ARG A 1 72  ? -10.554 -4.341  -19.856 1.00 9.72  ? 275 ARG A NH1 1 
ATOM   577  N  NH2 . ARG A 1 72  ? -11.551 -2.346  -19.428 1.00 10.78 ? 275 ARG A NH2 1 
ATOM   578  N  N   . PHE A 1 73  ? -10.508 -5.126  -14.400 1.00 7.95  ? 276 PHE A N   1 
ATOM   579  C  CA  . PHE A 1 73  ? -10.850 -3.809  -13.851 1.00 8.65  ? 276 PHE A CA  1 
ATOM   580  C  C   . PHE A 1 73  ? -11.169 -2.869  -15.014 1.00 9.74  ? 276 PHE A C   1 
ATOM   581  O  O   . PHE A 1 73  ? -10.625 -2.998  -16.121 1.00 10.21 ? 276 PHE A O   1 
ATOM   582  C  CB  . PHE A 1 73  ? -9.670  -3.194  -13.093 1.00 9.36  ? 276 PHE A CB  1 
ATOM   583  C  CG  . PHE A 1 73  ? -9.379  -3.716  -11.728 1.00 10.39 ? 276 PHE A CG  1 
ATOM   584  C  CD1 . PHE A 1 73  ? -10.227 -3.461  -10.665 1.00 10.61 ? 276 PHE A CD1 1 
ATOM   585  C  CD2 . PHE A 1 73  ? -8.172  -4.346  -11.479 1.00 10.87 ? 276 PHE A CD2 1 
ATOM   586  C  CE1 . PHE A 1 73  ? -9.911  -3.916  -9.395  1.00 11.39 ? 276 PHE A CE1 1 
ATOM   587  C  CE2 . PHE A 1 73  ? -7.857  -4.805  -10.215 1.00 10.58 ? 276 PHE A CE2 1 
ATOM   588  C  CZ  . PHE A 1 73  ? -8.703  -4.548  -9.168  1.00 10.37 ? 276 PHE A CZ  1 
ATOM   589  N  N   . LYS A 1 74  ? -12.049 -1.910  -14.754 1.00 10.54 ? 277 LYS A N   1 
ATOM   590  C  CA  . LYS A 1 74  ? -12.585 -1.012  -15.820 1.00 11.58 ? 277 LYS A CA  1 
ATOM   591  C  C   . LYS A 1 74  ? -11.453 -0.201  -16.480 1.00 11.43 ? 277 LYS A C   1 
ATOM   592  O  O   . LYS A 1 74  ? -11.542 0.109   -17.698 1.00 12.04 ? 277 LYS A O   1 
ATOM   593  C  CB  . LYS A 1 74  ? -13.644 -0.117  -15.196 1.00 13.48 ? 277 LYS A CB  1 
ATOM   594  C  CG  . LYS A 1 74  ? -14.314 0.833   -16.188 1.00 16.41 ? 277 LYS A CG  1 
ATOM   595  C  CD  . LYS A 1 74  ? -15.226 1.830   -15.482 1.00 20.45 ? 277 LYS A CD  1 
ATOM   596  C  CE  . LYS A 1 74  ? -15.840 2.813   -16.460 1.00 26.55 ? 277 LYS A CE  1 
ATOM   597  N  NZ  . LYS A 1 74  ? -17.020 3.518   -15.895 1.00 31.67 ? 277 LYS A NZ  1 
ATOM   598  N  N   . SER A 1 75  ? -10.425 0.122   -15.735 1.00 10.62 ? 278 SER A N   1 
ATOM   599  C  CA  . SER A 1 75  ? -9.302  0.991   -16.201 1.00 11.11 ? 278 SER A CA  1 
ATOM   600  C  C   . SER A 1 75  ? -8.361  0.209   -17.110 1.00 11.90 ? 278 SER A C   1 
ATOM   601  O  O   . SER A 1 75  ? -7.469  0.842   -17.780 1.00 13.14 ? 278 SER A O   1 
ATOM   602  C  CB  . SER A 1 75  ? -8.586  1.619   -15.052 1.00 11.98 ? 278 SER A CB  1 
ATOM   603  O  OG  . SER A 1 75  ? -7.885  0.680   -14.294 1.00 13.59 ? 278 SER A OG  1 
ATOM   604  N  N   . TRP A 1 76  ? -8.451  -1.112  -17.180 1.00 10.92 ? 279 TRP A N   1 
ATOM   605  C  CA  . TRP A 1 76  ? -7.572  -1.872  -18.096 1.00 10.65 ? 279 TRP A CA  1 
ATOM   606  C  C   . TRP A 1 76  ? -7.897  -1.513  -19.541 1.00 11.00 ? 279 TRP A C   1 
ATOM   607  O  O   . TRP A 1 76  ? -8.993  -1.055  -19.840 1.00 11.92 ? 279 TRP A O   1 
ATOM   608  C  CB  . TRP A 1 76  ? -7.707  -3.371  -17.844 1.00 10.08 ? 279 TRP A CB  1 
ATOM   609  C  CG  . TRP A 1 76  ? -7.180  -3.852  -16.534 1.00 9.28  ? 279 TRP A CG  1 
ATOM   610  C  CD1 . TRP A 1 76  ? -6.638  -3.115  -15.510 1.00 9.83  ? 279 TRP A CD1 1 
ATOM   611  C  CD2 . TRP A 1 76  ? -7.167  -5.211  -16.080 1.00 8.64  ? 279 TRP A CD2 1 
ATOM   612  N  NE1 . TRP A 1 76  ? -6.324  -3.926  -14.447 1.00 9.47  ? 279 TRP A NE1 1 
ATOM   613  C  CE2 . TRP A 1 76  ? -6.592  -5.227  -14.792 1.00 8.67  ? 279 TRP A CE2 1 
ATOM   614  C  CE3 . TRP A 1 76  ? -7.597  -6.429  -16.632 1.00 8.11  ? 279 TRP A CE3 1 
ATOM   615  C  CZ2 . TRP A 1 76  ? -6.444  -6.408  -14.058 1.00 8.97  ? 279 TRP A CZ2 1 
ATOM   616  C  CZ3 . TRP A 1 76  ? -7.424  -7.585  -15.905 1.00 7.88  ? 279 TRP A CZ3 1 
ATOM   617  C  CH2 . TRP A 1 76  ? -6.858  -7.588  -14.640 1.00 8.47  ? 279 TRP A CH2 1 
ATOM   618  N  N   . PRO A 1 77  ? -6.952  -1.754  -20.481 1.00 13.38 ? 280 PRO A N   1 
ATOM   619  C  CA  . PRO A 1 77  ? -7.210  -1.491  -21.889 1.00 15.31 ? 280 PRO A CA  1 
ATOM   620  C  C   . PRO A 1 77  ? -8.502  -2.205  -22.288 1.00 16.09 ? 280 PRO A C   1 
ATOM   621  O  O   . PRO A 1 77  ? -8.709  -3.350  -21.880 1.00 12.87 ? 280 PRO A O   1 
ATOM   622  C  CB  . PRO A 1 77  ? -5.968  -2.026  -22.607 1.00 16.13 ? 280 PRO A CB  1 
ATOM   623  C  CG  . PRO A 1 77  ? -4.898  -2.110  -21.562 1.00 16.66 ? 280 PRO A CG  1 
ATOM   624  C  CD  . PRO A 1 77  ? -5.603  -2.255  -20.235 1.00 14.72 ? 280 PRO A CD  1 
ATOM   625  N  N   . GLU A 1 78  ? -9.365  -1.551  -23.064 1.00 17.39 ? 281 GLU A N   1 
ATOM   626  C  CA  . GLU A 1 78  ? -10.679 -2.128  -23.412 1.00 17.24 ? 281 GLU A CA  1 
ATOM   627  C  C   . GLU A 1 78  ? -10.493 -3.513  -24.050 1.00 14.92 ? 281 GLU A C   1 
ATOM   628  O  O   . GLU A 1 78  ? -9.646  -3.665  -24.920 1.00 14.53 ? 281 GLU A O   1 
ATOM   629  C  CB  . GLU A 1 78  ? -11.452 -1.223  -24.374 1.00 23.26 ? 281 GLU A CB  1 
ATOM   630  C  CG  . GLU A 1 78  ? -12.604 -0.530  -23.712 1.00 27.30 ? 281 GLU A CG  1 
ATOM   631  C  CD  . GLU A 1 78  ? -13.287 0.502   -24.591 1.00 32.26 ? 281 GLU A CD  1 
ATOM   632  O  OE1 . GLU A 1 78  ? -13.409 0.242   -25.830 1.00 30.70 ? 281 GLU A OE1 1 
ATOM   633  O  OE2 . GLU A 1 78  ? -13.656 1.570   -24.028 1.00 39.12 ? 281 GLU A OE2 1 
ATOM   634  N  N   . GLY A 1 79  ? -11.272 -4.494  -23.626 1.00 14.53 ? 282 GLY A N   1 
ATOM   635  C  CA  . GLY A 1 79  ? -11.252 -5.849  -24.202 1.00 12.23 ? 282 GLY A CA  1 
ATOM   636  C  C   . GLY A 1 79  ? -10.178 -6.717  -23.584 1.00 12.06 ? 282 GLY A C   1 
ATOM   637  O  O   . GLY A 1 79  ? -10.099 -7.890  -23.930 1.00 12.49 ? 282 GLY A O   1 
ATOM   638  N  N   . HIS A 1 80  ? -9.344  -6.168  -22.694 1.00 11.01 ? 283 HIS A N   1 
ATOM   639  C  CA  . HIS A 1 80  ? -8.300  -6.975  -22.017 1.00 10.43 ? 283 HIS A CA  1 
ATOM   640  C  C   . HIS A 1 80  ? -8.890  -7.655  -20.782 1.00 9.79  ? 283 HIS A C   1 
ATOM   641  O  O   . HIS A 1 80  ? -9.394  -6.937  -19.886 1.00 9.82  ? 283 HIS A O   1 
ATOM   642  C  CB  . HIS A 1 80  ? -7.107  -6.118  -21.616 1.00 10.98 ? 283 HIS A CB  1 
ATOM   643  C  CG  . HIS A 1 80  ? -5.988  -6.960  -21.115 1.00 11.75 ? 283 HIS A CG  1 
ATOM   644  N  ND1 . HIS A 1 80  ? -4.953  -7.317  -21.934 1.00 14.99 ? 283 HIS A ND1 1 
ATOM   645  C  CD2 . HIS A 1 80  ? -5.797  -7.617  -19.946 1.00 10.97 ? 283 HIS A CD2 1 
ATOM   646  C  CE1 . HIS A 1 80  ? -4.133  -8.131  -21.283 1.00 15.79 ? 283 HIS A CE1 1 
ATOM   647  N  NE2 . HIS A 1 80  ? -4.630  -8.327  -20.055 1.00 12.63 ? 283 HIS A NE2 1 
ATOM   648  N  N   . PHE A 1 81  ? -8.850  -8.992  -20.762 1.00 9.13  ? 284 PHE A N   1 
ATOM   649  C  CA  . PHE A 1 81  ? -9.347  -9.796  -19.626 1.00 8.25  ? 284 PHE A CA  1 
ATOM   650  C  C   . PHE A 1 81  ? -8.228  -10.655 -19.111 1.00 8.14  ? 284 PHE A C   1 
ATOM   651  O  O   . PHE A 1 81  ? -7.503  -11.301 -19.872 1.00 9.23  ? 284 PHE A O   1 
ATOM   652  C  CB  . PHE A 1 81  ? -10.505 -10.702 -20.036 1.00 8.95  ? 284 PHE A CB  1 
ATOM   653  C  CG  . PHE A 1 81  ? -11.748 -9.975  -20.472 1.00 9.45  ? 284 PHE A CG  1 
ATOM   654  C  CD1 . PHE A 1 81  ? -11.935 -9.645  -21.797 1.00 9.37  ? 284 PHE A CD1 1 
ATOM   655  C  CD2 . PHE A 1 81  ? -12.672 -9.578  -19.540 1.00 9.14  ? 284 PHE A CD2 1 
ATOM   656  C  CE1 . PHE A 1 81  ? -13.080 -8.964  -22.207 1.00 10.15 ? 284 PHE A CE1 1 
ATOM   657  C  CE2 . PHE A 1 81  ? -13.815 -8.914  -19.955 1.00 10.26 ? 284 PHE A CE2 1 
ATOM   658  C  CZ  . PHE A 1 81  ? -14.010 -8.594  -21.282 1.00 9.92  ? 284 PHE A CZ  1 
ATOM   659  N  N   . ALA A 1 82  ? -8.123  -10.695 -17.801 1.00 6.77  ? 285 ALA A N   1 
ATOM   660  C  CA  . ALA A 1 82  ? -7.379  -11.740 -17.104 1.00 6.94  ? 285 ALA A CA  1 
ATOM   661  C  C   . ALA A 1 82  ? -8.207  -13.025 -17.089 1.00 6.54  ? 285 ALA A C   1 
ATOM   662  O  O   . ALA A 1 82  ? -9.450  -12.958 -17.249 1.00 7.62  ? 285 ALA A O   1 
ATOM   663  C  CB  . ALA A 1 82  ? -7.048  -11.326 -15.703 1.00 7.01  ? 285 ALA A CB  1 
ATOM   664  N  N   . THR A 1 83  ? -7.573  -14.182 -16.951 1.00 7.23  ? 286 THR A N   1 
ATOM   665  C  CA  . THR A 1 83  ? -8.265  -15.454 -16.685 1.00 7.32  ? 286 THR A CA  1 
ATOM   666  C  C   . THR A 1 83  ? -8.008  -15.804 -15.239 1.00 7.19  ? 286 THR A C   1 
ATOM   667  O  O   . THR A 1 83  ? -6.827  -16.045 -14.889 1.00 8.38  ? 286 THR A O   1 
ATOM   668  C  CB  . THR A 1 83  ? -7.841  -16.540 -17.667 1.00 8.32  ? 286 THR A CB  1 
ATOM   669  O  OG1 . THR A 1 83  ? -8.018  -16.033 -18.988 1.00 9.57  ? 286 THR A OG1 1 
ATOM   670  C  CG2 . THR A 1 83  ? -8.629  -17.826 -17.555 1.00 9.34  ? 286 THR A CG2 1 
ATOM   671  N  N   . ILE A 1 84  ? -9.068  -15.917 -14.458 1.00 7.14  ? 287 ILE A N   1 
ATOM   672  C  CA  . ILE A 1 84  ? -8.953  -16.222 -13.023 1.00 8.21  ? 287 ILE A CA  1 
ATOM   673  C  C   . ILE A 1 84  ? -9.594  -17.567 -12.771 1.00 7.57  ? 287 ILE A C   1 
ATOM   674  O  O   . ILE A 1 84  ? -10.774 -17.759 -13.177 1.00 8.10  ? 287 ILE A O   1 
ATOM   675  C  CB  . ILE A 1 84  ? -9.550  -15.100 -12.172 1.00 9.98  ? 287 ILE A CB  1 
ATOM   676  C  CG1 . ILE A 1 84  ? -8.670  -13.840 -12.303 1.00 12.31 ? 287 ILE A CG1 1 
ATOM   677  C  CG2 . ILE A 1 84  ? -9.703  -15.573 -10.734 1.00 10.57 ? 287 ILE A CG2 1 
ATOM   678  C  CD1 . ILE A 1 84  ? -9.127  -12.652 -11.586 1.00 13.83 ? 287 ILE A CD1 1 
ATOM   679  N  N   . THR A 1 85  ? -8.842  -18.463 -12.166 1.00 7.71  ? 288 THR A N   1 
ATOM   680  C  CA  . THR A 1 85  ? -9.303  -19.809 -11.788 1.00 8.28  ? 288 THR A CA  1 
ATOM   681  C  C   . THR A 1 85  ? -9.346  -19.904 -10.268 1.00 8.57  ? 288 THR A C   1 
ATOM   682  O  O   . THR A 1 85  ? -8.311  -19.624 -9.625  1.00 9.28  ? 288 THR A O   1 
ATOM   683  C  CB  . THR A 1 85  ? -8.404  -20.894 -12.383 1.00 9.30  ? 288 THR A CB  1 
ATOM   684  O  OG1 . THR A 1 85  ? -8.376  -20.688 -13.806 1.00 10.58 ? 288 THR A OG1 1 
ATOM   685  C  CG2 . THR A 1 85  ? -8.898  -22.276 -12.042 1.00 10.67 ? 288 THR A CG2 1 
ATOM   686  N  N   . LEU A 1 86  ? -10.491 -20.307 -9.724  1.00 8.65  ? 289 LEU A N   1 
ATOM   687  C  CA  . LEU A 1 86  ? -10.689 -20.510 -8.277  1.00 8.68  ? 289 LEU A CA  1 
ATOM   688  C  C   . LEU A 1 86  ? -10.962 -21.976 -8.062  1.00 9.06  ? 289 LEU A C   1 
ATOM   689  O  O   . LEU A 1 86  ? -11.918 -22.493 -8.696  1.00 9.47  ? 289 LEU A O   1 
ATOM   690  C  CB  . LEU A 1 86  ? -11.853 -19.684 -7.725  1.00 9.01  ? 289 LEU A CB  1 
ATOM   691  C  CG  . LEU A 1 86  ? -11.787 -18.181 -7.902  1.00 9.38  ? 289 LEU A CG  1 
ATOM   692  C  CD1 . LEU A 1 86  ? -13.045 -17.531 -7.398  1.00 10.97 ? 289 LEU A CD1 1 
ATOM   693  C  CD2 . LEU A 1 86  ? -10.578 -17.593 -7.147  1.00 9.81  ? 289 LEU A CD2 1 
ATOM   694  N  N   . THR A 1 87  ? -10.165 -22.641 -7.252  1.00 9.88  ? 290 THR A N   1 
ATOM   695  C  CA  . THR A 1 87  ? -10.334 -24.063 -6.948  1.00 10.17 ? 290 THR A CA  1 
ATOM   696  C  C   . THR A 1 87  ? -10.639 -24.198 -5.460  1.00 10.06 ? 290 THR A C   1 
ATOM   697  O  O   . THR A 1 87  ? -9.948  -23.570 -4.658  1.00 9.89  ? 290 THR A O   1 
ATOM   698  C  CB  . THR A 1 87  ? -9.091  -24.873 -7.333  1.00 12.68 ? 290 THR A CB  1 
ATOM   699  O  OG1 . THR A 1 87  ? -8.813  -24.644 -8.730  1.00 14.83 ? 290 THR A OG1 1 
ATOM   700  C  CG2 . THR A 1 87  ? -9.282  -26.350 -7.092  1.00 14.41 ? 290 THR A CG2 1 
ATOM   701  N  N   . PHE A 1 88  ? -11.682 -24.938 -5.141  1.00 10.00 ? 291 PHE A N   1 
ATOM   702  C  CA  . PHE A 1 88  ? -12.183 -25.100 -3.763  1.00 11.20 ? 291 PHE A CA  1 
ATOM   703  C  C   . PHE A 1 88  ? -11.854 -26.512 -3.278  1.00 12.28 ? 291 PHE A C   1 
ATOM   704  O  O   . PHE A 1 88  ? -12.286 -27.488 -3.949  1.00 15.17 ? 291 PHE A O   1 
ATOM   705  C  CB  . PHE A 1 88  ? -13.685 -24.862 -3.736  1.00 10.78 ? 291 PHE A CB  1 
ATOM   706  C  CG  . PHE A 1 88  ? -14.152 -23.516 -4.205  1.00 10.22 ? 291 PHE A CG  1 
ATOM   707  C  CD1 . PHE A 1 88  ? -14.154 -23.170 -5.548  1.00 10.53 ? 291 PHE A CD1 1 
ATOM   708  C  CD2 . PHE A 1 88  ? -14.633 -22.569 -3.317  1.00 10.47 ? 291 PHE A CD2 1 
ATOM   709  C  CE1 . PHE A 1 88  ? -14.554 -21.918 -5.971  1.00 10.43 ? 291 PHE A CE1 1 
ATOM   710  C  CE2 . PHE A 1 88  ? -15.082 -21.342 -3.749  1.00 10.47 ? 291 PHE A CE2 1 
ATOM   711  C  CZ  . PHE A 1 88  ? -15.023 -20.998 -5.074  1.00 10.07 ? 291 PHE A CZ  1 
ATOM   712  N  N   . ILE A 1 89  ? -11.112 -26.616 -2.189  1.00 13.65 ? 292 ILE A N   1 
ATOM   713  C  CA  . ILE A 1 89  ? -10.683 -27.931 -1.645  1.00 15.32 ? 292 ILE A CA  1 
ATOM   714  C  C   . ILE A 1 89  ? -11.185 -28.007 -0.212  1.00 14.03 ? 292 ILE A C   1 
ATOM   715  O  O   . ILE A 1 89  ? -10.913 -27.077 0.567   1.00 15.48 ? 292 ILE A O   1 
ATOM   716  C  CB  . ILE A 1 89  ? -9.150  -28.081 -1.722  1.00 17.87 ? 292 ILE A CB  1 
ATOM   717  C  CG1 . ILE A 1 89  ? -8.662  -28.081 -3.174  1.00 21.39 ? 292 ILE A CG1 1 
ATOM   718  C  CG2 . ILE A 1 89  ? -8.699  -29.337 -0.980  1.00 20.30 ? 292 ILE A CG2 1 
ATOM   719  C  CD1 . ILE A 1 89  ? -9.254  -29.208 -3.971  1.00 23.10 ? 292 ILE A CD1 1 
ATOM   720  N  N   . ASP A 1 90  ? -11.888 -29.087 0.110   1.00 15.51 ? 293 ASP A N   1 
ATOM   721  C  CA  . ASP A 1 90  ? -12.303 -29.387 1.503   1.00 16.56 ? 293 ASP A CA  1 
ATOM   722  C  C   . ASP A 1 90  ? -11.100 -29.890 2.293   1.00 17.93 ? 293 ASP A C   1 
ATOM   723  O  O   . ASP A 1 90  ? -10.498 -30.893 1.888   1.00 16.32 ? 293 ASP A O   1 
ATOM   724  C  CB  . ASP A 1 90  ? -13.462 -30.374 1.553   1.00 18.00 ? 293 ASP A CB  1 
ATOM   725  C  CG  . ASP A 1 90  ? -14.016 -30.548 2.962   1.00 21.62 ? 293 ASP A CG  1 
ATOM   726  O  OD1 . ASP A 1 90  ? -13.212 -30.780 3.885   1.00 22.89 ? 293 ASP A OD1 1 
ATOM   727  O  OD2 . ASP A 1 90  ? -15.238 -30.382 3.131   1.00 27.73 ? 293 ASP A OD2 1 
ATOM   728  N  N   . LYS A 1 91  ? -10.750 -29.214 3.380   1.00 17.53 ? 294 LYS A N   1 
ATOM   729  C  CA  . LYS A 1 91  ? -9.665  -29.613 4.302   1.00 22.57 ? 294 LYS A CA  1 
ATOM   730  C  C   . LYS A 1 91  ? -10.319 -29.668 5.689   1.00 21.66 ? 294 LYS A C   1 
ATOM   731  O  O   . LYS A 1 91  ? -10.452 -28.609 6.336   1.00 21.19 ? 294 LYS A O   1 
ATOM   732  C  CB  . LYS A 1 91  ? -8.469  -28.658 4.174   1.00 26.63 ? 294 LYS A CB  1 
ATOM   733  C  CG  . LYS A 1 91  ? -7.099  -29.332 4.185   1.00 33.72 ? 294 LYS A CG  1 
ATOM   734  C  CD  . LYS A 1 91  ? -5.861  -28.421 4.270   1.00 35.20 ? 294 LYS A CD  1 
ATOM   735  C  CE  . LYS A 1 91  ? -5.846  -27.208 3.346   1.00 34.39 ? 294 LYS A CE  1 
ATOM   736  N  NZ  . LYS A 1 91  ? -5.979  -27.572 1.917   1.00 38.02 ? 294 LYS A NZ  1 
ATOM   737  N  N   . ASN A 1 92  ? -10.809 -30.837 6.103   1.00 23.20 ? 295 ASN A N   1 
ATOM   738  C  CA  . ASN A 1 92  ? -11.396 -30.979 7.460   1.00 22.26 ? 295 ASN A CA  1 
ATOM   739  C  C   . ASN A 1 92  ? -12.619 -30.054 7.578   1.00 20.77 ? 295 ASN A C   1 
ATOM   740  O  O   . ASN A 1 92  ? -12.818 -29.447 8.661   1.00 21.63 ? 295 ASN A O   1 
ATOM   741  C  CB  . ASN A 1 92  ? -10.328 -30.651 8.511   1.00 25.39 ? 295 ASN A CB  1 
ATOM   742  C  CG  . ASN A 1 92  ? -9.182  -31.645 8.499   1.00 29.36 ? 295 ASN A CG  1 
ATOM   743  O  OD1 . ASN A 1 92  ? -9.391  -32.844 8.308   1.00 32.23 ? 295 ASN A OD1 1 
ATOM   744  N  ND2 . ASN A 1 92  ? -7.976  -31.166 8.737   1.00 32.56 ? 295 ASN A ND2 1 
ATOM   745  N  N   . GLY A 1 93  ? -13.432 -29.941 6.523   1.00 18.21 ? 296 GLY A N   1 
ATOM   746  C  CA  . GLY A 1 93  ? -14.667 -29.127 6.551   1.00 17.18 ? 296 GLY A CA  1 
ATOM   747  C  C   . GLY A 1 93  ? -14.427 -27.616 6.499   1.00 15.21 ? 296 GLY A C   1 
ATOM   748  O  O   . GLY A 1 93  ? -15.429 -26.873 6.503   1.00 15.52 ? 296 GLY A O   1 
ATOM   749  N  N   . GLU A 1 94  ? -13.166 -27.218 6.375   1.00 14.70 ? 297 GLU A N   1 
ATOM   750  C  CA  . GLU A 1 94  ? -12.734 -25.843 6.027   1.00 14.07 ? 297 GLU A CA  1 
ATOM   751  C  C   . GLU A 1 94  ? -12.441 -25.835 4.533   1.00 13.81 ? 297 GLU A C   1 
ATOM   752  O  O   . GLU A 1 94  ? -12.351 -26.914 3.924   1.00 16.94 ? 297 GLU A O   1 
ATOM   753  C  CB  . GLU A 1 94  ? -11.495 -25.421 6.804   1.00 13.38 ? 297 GLU A CB  1 
ATOM   754  C  CG  . GLU A 1 94  ? -11.685 -25.470 8.303   1.00 16.29 ? 297 GLU A CG  1 
ATOM   755  C  CD  . GLU A 1 94  ? -10.438 -25.205 9.102   1.00 18.09 ? 297 GLU A CD  1 
ATOM   756  O  OE1 . GLU A 1 94  ? -9.414  -24.788 8.545   1.00 19.89 ? 297 GLU A OE1 1 
ATOM   757  O  OE2 . GLU A 1 94  ? -10.496 -25.417 10.352  1.00 20.69 ? 297 GLU A OE2 1 
ATOM   758  N  N   . THR A 1 95  ? -12.323 -24.666 3.938   1.00 11.21 ? 298 THR A N   1 
ATOM   759  C  CA  . THR A 1 95  ? -12.109 -24.571 2.482   1.00 11.22 ? 298 THR A CA  1 
ATOM   760  C  C   . THR A 1 95  ? -10.742 -23.926 2.254   1.00 10.98 ? 298 THR A C   1 
ATOM   761  O  O   . THR A 1 95  ? -10.480 -22.814 2.704   1.00 10.75 ? 298 THR A O   1 
ATOM   762  C  CB  . THR A 1 95  ? -13.205 -23.804 1.764   1.00 11.97 ? 298 THR A CB  1 
ATOM   763  O  OG1 . THR A 1 95  ? -14.478 -24.436 1.980   1.00 13.75 ? 298 THR A OG1 1 
ATOM   764  C  CG2 . THR A 1 95  ? -12.918 -23.724 0.278   1.00 12.46 ? 298 THR A CG2 1 
ATOM   765  N  N   . GLU A 1 96  ? -9.897  -24.641 1.517   1.00 10.85 ? 299 GLU A N   1 
ATOM   766  C  CA  . GLU A 1 96  ? -8.668  -24.061 0.939   1.00 12.19 ? 299 GLU A CA  1 
ATOM   767  C  C   . GLU A 1 96  ? -9.045  -23.558 -0.458  1.00 10.99 ? 299 GLU A C   1 
ATOM   768  O  O   . GLU A 1 96  ? -9.500  -24.360 -1.281  1.00 13.19 ? 299 GLU A O   1 
ATOM   769  C  CB  . GLU A 1 96  ? -7.554  -25.087 0.851   1.00 16.22 ? 299 GLU A CB  1 
ATOM   770  C  CG  . GLU A 1 96  ? -6.230  -24.465 0.475   1.00 22.44 ? 299 GLU A CG  1 
ATOM   771  C  CD  . GLU A 1 96  ? -5.157  -25.421 -0.034  1.00 27.98 ? 299 GLU A CD  1 
ATOM   772  O  OE1 . GLU A 1 96  ? -5.389  -26.150 -1.038  1.00 34.90 ? 299 GLU A OE1 1 
ATOM   773  O  OE2 . GLU A 1 96  ? -4.114  -25.465 0.612   1.00 36.80 ? 299 GLU A OE2 1 
ATOM   774  N  N   . LEU A 1 97  ? -8.967  -22.261 -0.628  1.00 9.40  ? 300 LEU A N   1 
ATOM   775  C  CA  . LEU A 1 97  ? -9.240  -21.615 -1.931  1.00 9.99  ? 300 LEU A CA  1 
ATOM   776  C  C   . LEU A 1 97  ? -7.905  -21.325 -2.599  1.00 10.21 ? 300 LEU A C   1 
ATOM   777  O  O   . LEU A 1 97  ? -7.064  -20.647 -1.988  1.00 11.45 ? 300 LEU A O   1 
ATOM   778  C  CB  . LEU A 1 97  ? -10.018 -20.329 -1.703  1.00 9.76  ? 300 LEU A CB  1 
ATOM   779  C  CG  . LEU A 1 97  ? -10.463 -19.627 -2.990  1.00 10.87 ? 300 LEU A CG  1 
ATOM   780  C  CD1 . LEU A 1 97  ? -11.445 -20.477 -3.768  1.00 11.67 ? 300 LEU A CD1 1 
ATOM   781  C  CD2 . LEU A 1 97  ? -11.054 -18.308 -2.625  1.00 12.34 ? 300 LEU A CD2 1 
ATOM   782  N  N   . CYS A 1 98  ? -7.729  -21.824 -3.814  1.00 10.26 ? 301 CYS A N   1 
ATOM   783  C  CA  . CYS A 1 98  ? -6.547  -21.531 -4.632  1.00 12.20 ? 301 CYS A CA  1 
ATOM   784  C  C   . CYS A 1 98  ? -7.000  -20.624 -5.774  1.00 11.89 ? 301 CYS A C   1 
ATOM   785  O  O   . CYS A 1 98  ? -7.963  -20.997 -6.512  1.00 11.91 ? 301 CYS A O   1 
ATOM   786  C  CB  . CYS A 1 98  ? -5.896  -22.778 -5.175  1.00 13.06 ? 301 CYS A CB  1 
ATOM   787  S  SG  . CYS A 1 98  ? -4.468  -22.279 -6.175  1.00 23.87 ? 301 CYS A SG  1 
ATOM   788  N  N   . MET A 1 99  ? -6.451  -19.427 -5.840  1.00 11.12 ? 302 MET A N   1 
ATOM   789  C  CA  . MET A 1 99  ? -6.729  -18.438 -6.903  1.00 10.22 ? 302 MET A CA  1 
ATOM   790  C  C   . MET A 1 99  ? -5.512  -18.365 -7.812  1.00 10.86 ? 302 MET A C   1 
ATOM   791  O  O   . MET A 1 99  ? -4.391  -18.198 -7.327  1.00 10.89 ? 302 MET A O   1 
ATOM   792  C  CB  . MET A 1 99  ? -7.070  -17.074 -6.315  1.00 11.35 ? 302 MET A CB  1 
ATOM   793  C  CG  . MET A 1 99  ? -7.342  -15.971 -7.287  1.00 11.97 ? 302 MET A CG  1 
ATOM   794  S  SD  . MET A 1 99  ? -5.732  -15.237 -7.798  1.00 14.05 ? 302 MET A SD  1 
ATOM   795  C  CE  . MET A 1 99  ? -6.349  -13.964 -8.873  1.00 13.20 ? 302 MET A CE  1 
ATOM   796  N  N   . GLU A 1 100 ? -5.727  -18.533 -9.098  1.00 9.46  ? 303 GLU A N   1 
ATOM   797  C  CA  . GLU A 1 100 ? -4.667  -18.290 -10.085 1.00 11.24 ? 303 GLU A CA  1 
ATOM   798  C  C   . GLU A 1 100 ? -5.162  -17.206 -11.010 1.00 10.21 ? 303 GLU A C   1 
ATOM   799  O  O   . GLU A 1 100 ? -6.279  -17.348 -11.513 1.00 11.06 ? 303 GLU A O   1 
ATOM   800  C  CB  . GLU A 1 100 ? -4.350  -19.559 -10.850 1.00 14.69 ? 303 GLU A CB  1 
ATOM   801  C  CG  . GLU A 1 100 ? -3.659  -20.637 -10.029 1.00 23.06 ? 303 GLU A CG  1 
ATOM   802  C  CD  . GLU A 1 100 ? -2.555  -21.276 -10.867 1.00 30.82 ? 303 GLU A CD  1 
ATOM   803  O  OE1 . GLU A 1 100 ? -2.822  -21.528 -12.096 1.00 34.80 ? 303 GLU A OE1 1 
ATOM   804  O  OE2 . GLU A 1 100 ? -1.386  -21.408 -10.342 1.00 35.11 ? 303 GLU A OE2 1 
ATOM   805  N  N   . GLY A 1 101 ? -4.381  -16.190 -11.260 1.00 8.38  ? 304 GLY A N   1 
ATOM   806  C  CA  . GLY A 1 101 ? -4.724  -15.144 -12.210 1.00 8.27  ? 304 GLY A CA  1 
ATOM   807  C  C   . GLY A 1 101 ? -3.681  -15.071 -13.271 1.00 8.39  ? 304 GLY A C   1 
ATOM   808  O  O   . GLY A 1 101 ? -2.531  -14.855 -12.959 1.00 8.80  ? 304 GLY A O   1 
ATOM   809  N  N   . ARG A 1 102 ? -4.094  -15.227 -14.505 1.00 8.51  ? 305 ARG A N   1 
ATOM   810  C  CA  . ARG A 1 102 ? -3.213  -15.126 -15.683 1.00 9.62  ? 305 ARG A CA  1 
ATOM   811  C  C   . ARG A 1 102 ? -3.626  -13.904 -16.496 1.00 7.77  ? 305 ARG A C   1 
ATOM   812  O  O   . ARG A 1 102 ? -4.812  -13.563 -16.508 1.00 8.16  ? 305 ARG A O   1 
ATOM   813  C  CB  . ARG A 1 102 ? -3.329  -16.382 -16.555 1.00 11.83 ? 305 ARG A CB  1 
ATOM   814  C  CG  . ARG A 1 102 ? -2.735  -17.617 -15.913 1.00 16.36 ? 305 ARG A CG  1 
ATOM   815  C  CD  . ARG A 1 102 ? -1.674  -18.284 -16.770 1.00 22.69 ? 305 ARG A CD  1 
ATOM   816  N  NE  . ARG A 1 102 ? -2.100  -18.853 -18.057 1.00 25.00 ? 305 ARG A NE  1 
ATOM   817  C  CZ  . ARG A 1 102 ? -1.838  -18.368 -19.274 1.00 26.70 ? 305 ARG A CZ  1 
ATOM   818  N  NH1 . ARG A 1 102 ? -1.157  -17.249 -19.450 1.00 26.83 ? 305 ARG A NH1 1 
ATOM   819  N  NH2 . ARG A 1 102 ? -2.266  -19.027 -20.333 1.00 31.83 ? 305 ARG A NH2 1 
ATOM   820  N  N   . GLY A 1 103 ? -2.730  -13.291 -17.214 1.00 7.26  ? 306 GLY A N   1 
ATOM   821  C  CA  . GLY A 1 103 ? -3.073  -12.238 -18.167 1.00 7.17  ? 306 GLY A CA  1 
ATOM   822  C  C   . GLY A 1 103 ? -3.390  -10.910 -17.478 1.00 7.47  ? 306 GLY A C   1 
ATOM   823  O  O   . GLY A 1 103 ? -4.040  -10.050 -18.062 1.00 8.72  ? 306 GLY A O   1 
ATOM   824  N  N   . ILE A 1 104 ? -2.849  -10.722 -16.292 1.00 8.11  ? 307 ILE A N   1 
ATOM   825  C  CA  . ILE A 1 104 ? -3.041  -9.458  -15.536 1.00 8.09  ? 307 ILE A CA  1 
ATOM   826  C  C   . ILE A 1 104 ? -2.040  -8.455  -16.079 1.00 8.48  ? 307 ILE A C   1 
ATOM   827  O  O   . ILE A 1 104 ? -0.838  -8.765  -16.104 1.00 8.29  ? 307 ILE A O   1 
ATOM   828  C  CB  . ILE A 1 104 ? -2.816  -9.711  -14.052 1.00 8.08  ? 307 ILE A CB  1 
ATOM   829  C  CG1 . ILE A 1 104 ? -3.883  -10.645 -13.458 1.00 8.94  ? 307 ILE A CG1 1 
ATOM   830  C  CG2 . ILE A 1 104 ? -2.765  -8.388  -13.297 1.00 8.11  ? 307 ILE A CG2 1 
ATOM   831  C  CD1 . ILE A 1 104 ? -3.396  -11.291 -12.201 1.00 10.09 ? 307 ILE A CD1 1 
ATOM   832  N  N   . PRO A 1 105 ? -2.455  -7.257  -16.516 1.00 8.15  ? 308 PRO A N   1 
ATOM   833  C  CA  . PRO A 1 105 ? -1.490  -6.262  -16.984 1.00 9.37  ? 308 PRO A CA  1 
ATOM   834  C  C   . PRO A 1 105 ? -0.400  -6.109  -15.917 1.00 9.59  ? 308 PRO A C   1 
ATOM   835  O  O   . PRO A 1 105 ? -0.657  -5.934  -14.738 1.00 10.38 ? 308 PRO A O   1 
ATOM   836  C  CB  . PRO A 1 105 ? -2.330  -4.994  -17.207 1.00 8.86  ? 308 PRO A CB  1 
ATOM   837  C  CG  . PRO A 1 105 ? -3.713  -5.543  -17.478 1.00 8.65  ? 308 PRO A CG  1 
ATOM   838  C  CD  . PRO A 1 105 ? -3.827  -6.740  -16.551 1.00 8.42  ? 308 PRO A CD  1 
ATOM   839  N  N   . ALA A 1 106 ? 0.861   -6.111  -16.346 1.00 9.67  ? 309 ALA A N   1 
ATOM   840  C  CA  . ALA A 1 106 ? 1.985   -6.117  -15.400 1.00 10.66 ? 309 ALA A CA  1 
ATOM   841  C  C   . ALA A 1 106 ? 1.956   -4.912  -14.463 1.00 10.97 ? 309 ALA A C   1 
ATOM   842  O  O   . ALA A 1 106 ? 2.240   -5.081  -13.282 1.00 10.90 ? 309 ALA A O   1 
ATOM   843  C  CB  . ALA A 1 106 ? 3.253   -6.257  -16.180 1.00 12.41 ? 309 ALA A CB  1 
ATOM   844  N  N   . PRO A 1 107 ? 1.657   -3.678  -14.906 1.00 11.08 ? 310 PRO A N   1 
ATOM   845  C  CA  . PRO A 1 107 ? 1.610   -2.538  -13.984 1.00 11.75 ? 310 PRO A CA  1 
ATOM   846  C  C   . PRO A 1 107 ? 0.516   -2.654  -12.919 1.00 13.31 ? 310 PRO A C   1 
ATOM   847  O  O   . PRO A 1 107 ? 0.525   -1.906  -11.920 1.00 14.94 ? 310 PRO A O   1 
ATOM   848  C  CB  . PRO A 1 107 ? 1.362   -1.318  -14.879 1.00 13.49 ? 310 PRO A CB  1 
ATOM   849  C  CG  . PRO A 1 107 ? 1.735   -1.782  -16.267 1.00 14.32 ? 310 PRO A CG  1 
ATOM   850  C  CD  . PRO A 1 107 ? 1.495   -3.279  -16.315 1.00 12.32 ? 310 PRO A CD  1 
ATOM   851  N  N   . GLU A 1 108 ? -0.425  -3.571  -13.149 1.00 11.24 ? 311 GLU A N   1 
ATOM   852  C  CA  . GLU A 1 108 ? -1.619  -3.723  -12.298 1.00 10.96 ? 311 GLU A CA  1 
ATOM   853  C  C   . GLU A 1 108 ? -1.444  -4.904  -11.368 1.00 9.99  ? 311 GLU A C   1 
ATOM   854  O  O   . GLU A 1 108 ? -2.387  -5.218  -10.640 1.00 8.78  ? 311 GLU A O   1 
ATOM   855  C  CB  . GLU A 1 108 ? -2.853  -3.903  -13.183 1.00 11.83 ? 311 GLU A CB  1 
ATOM   856  C  CG  . GLU A 1 108 ? -3.213  -2.678  -14.012 1.00 13.61 ? 311 GLU A CG  1 
ATOM   857  C  CD  . GLU A 1 108 ? -4.070  -1.669  -13.263 1.00 15.86 ? 311 GLU A CD  1 
ATOM   858  O  OE1 . GLU A 1 108 ? -5.138  -2.058  -12.729 1.00 14.00 ? 311 GLU A OE1 1 
ATOM   859  O  OE2 . GLU A 1 108 ? -3.705  -0.488  -13.222 1.00 22.53 ? 311 GLU A OE2 1 
ATOM   860  N  N   . GLU A 1 109 ? -0.270  -5.498  -11.269 1.00 10.01 ? 312 GLU A N   1 
ATOM   861  C  CA  . GLU A 1 109 ? -0.062  -6.665  -10.387 1.00 10.20 ? 312 GLU A CA  1 
ATOM   862  C  C   . GLU A 1 109 ? -0.458  -6.345  -8.957  1.00 10.95 ? 312 GLU A C   1 
ATOM   863  O  O   . GLU A 1 109 ? -1.219  -7.106  -8.334  1.00 9.56  ? 312 GLU A O   1 
ATOM   864  C  CB  . GLU A 1 109 ? 1.374   -7.162  -10.465 1.00 10.58 ? 312 GLU A CB  1 
ATOM   865  C  CG  . GLU A 1 109 ? 1.555   -8.406  -9.659  1.00 12.24 ? 312 GLU A CG  1 
ATOM   866  C  CD  . GLU A 1 109 ? 2.876   -9.137  -9.739  1.00 16.05 ? 312 GLU A CD  1 
ATOM   867  O  OE1 . GLU A 1 109 ? 3.693   -8.771  -10.594 1.00 17.99 ? 312 GLU A OE1 1 
ATOM   868  O  OE2 . GLU A 1 109 ? 3.094   -9.992  -8.902  1.00 18.25 ? 312 GLU A OE2 1 
ATOM   869  N  N   . GLU A 1 110 ? 0.097   -5.288  -8.368  1.00 11.45 ? 313 GLU A N   1 
ATOM   870  C  CA  . GLU A 1 110 ? -0.124  -5.058  -6.926  1.00 12.38 ? 313 GLU A CA  1 
ATOM   871  C  C   . GLU A 1 110 ? -1.576  -4.694  -6.669  1.00 10.37 ? 313 GLU A C   1 
ATOM   872  O  O   . GLU A 1 110 ? -2.127  -5.195  -5.693  1.00 10.47 ? 313 GLU A O   1 
ATOM   873  C  CB  . GLU A 1 110 ? 0.812   -3.970  -6.431  1.00 15.41 ? 313 GLU A CB  1 
ATOM   874  C  CG  . GLU A 1 110 ? 2.159   -4.529  -6.072  1.00 24.31 ? 313 GLU A CG  1 
ATOM   875  C  CD  . GLU A 1 110 ? 2.097   -5.798  -5.227  1.00 26.60 ? 313 GLU A CD  1 
ATOM   876  O  OE1 . GLU A 1 110 ? 1.399   -5.746  -4.154  1.00 26.75 ? 313 GLU A OE1 1 
ATOM   877  O  OE2 . GLU A 1 110 ? 2.638   -6.863  -5.720  1.00 30.09 ? 313 GLU A OE2 1 
ATOM   878  N  N   . ARG A 1 111 ? -2.166  -3.879  -7.516  1.00 9.66  ? 314 ARG A N   1 
ATOM   879  C  CA  . ARG A 1 111 ? -3.591  -3.516  -7.384  1.00 10.39 ? 314 ARG A CA  1 
ATOM   880  C  C   . ARG A 1 111 ? -4.427  -4.806  -7.394  1.00 10.34 ? 314 ARG A C   1 
ATOM   881  O  O   . ARG A 1 111 ? -5.352  -4.982  -6.593  1.00 10.56 ? 314 ARG A O   1 
ATOM   882  C  CB  . ARG A 1 111 ? -4.034  -2.590  -8.502  1.00 11.20 ? 314 ARG A CB  1 
ATOM   883  C  CG  . ARG A 1 111 ? -5.486  -2.189  -8.366  1.00 11.93 ? 314 ARG A CG  1 
ATOM   884  C  CD  . ARG A 1 111 ? -5.949  -1.624  -9.664  1.00 12.13 ? 314 ARG A CD  1 
ATOM   885  N  NE  . ARG A 1 111 ? -7.320  -1.151  -9.603  1.00 13.54 ? 314 ARG A NE  1 
ATOM   886  C  CZ  . ARG A 1 111 ? -7.970  -0.652  -10.631 1.00 12.05 ? 314 ARG A CZ  1 
ATOM   887  N  NH1 . ARG A 1 111 ? -7.433  -0.705  -11.839 1.00 12.55 ? 314 ARG A NH1 1 
ATOM   888  N  NH2 . ARG A 1 111 ? -9.195  -0.202  -10.468 1.00 13.89 ? 314 ARG A NH2 1 
ATOM   889  N  N   . THR A 1 112 ? -4.157  -5.708  -8.326  1.00 9.99  ? 315 THR A N   1 
ATOM   890  C  CA  . THR A 1 112 ? -4.951  -6.948  -8.475  1.00 9.11  ? 315 THR A CA  1 
ATOM   891  C  C   . THR A 1 112 ? -4.685  -7.876  -7.283  1.00 9.54  ? 315 THR A C   1 
ATOM   892  O  O   . THR A 1 112 ? -5.636  -8.475  -6.759  1.00 9.57  ? 315 THR A O   1 
ATOM   893  C  CB  . THR A 1 112 ? -4.636  -7.595  -9.826  1.00 8.75  ? 315 THR A CB  1 
ATOM   894  O  OG1 . THR A 1 112 ? -4.810  -6.645  -10.848 1.00 9.10  ? 315 THR A OG1 1 
ATOM   895  C  CG2 . THR A 1 112 ? -5.512  -8.805  -10.091 1.00 9.41  ? 315 THR A CG2 1 
ATOM   896  N  N   . ARG A 1 113 ? -3.444  -8.015  -6.825  1.00 10.18 ? 316 ARG A N   1 
ATOM   897  C  CA  . ARG A 1 113 ? -3.152  -8.824  -5.630  1.00 11.13 ? 316 ARG A CA  1 
ATOM   898  C  C   . ARG A 1 113 ? -3.947  -8.259  -4.446  1.00 12.24 ? 316 ARG A C   1 
ATOM   899  O  O   . ARG A 1 113 ? -4.575  -9.047  -3.721  1.00 10.63 ? 316 ARG A O   1 
ATOM   900  C  CB  . ARG A 1 113 ? -1.651  -8.766  -5.316  1.00 13.29 ? 316 ARG A CB  1 
ATOM   901  C  CG  . ARG A 1 113 ? -0.749  -9.642  -6.156  1.00 17.48 ? 316 ARG A CG  1 
ATOM   902  C  CD  . ARG A 1 113 ? 0.734   -9.539  -5.715  1.00 21.18 ? 316 ARG A CD  1 
ATOM   903  N  NE  . ARG A 1 113 ? 1.557   -10.466 -6.471  1.00 24.26 ? 316 ARG A NE  1 
ATOM   904  C  CZ  . ARG A 1 113 ? 1.648   -11.768 -6.205  1.00 27.65 ? 316 ARG A CZ  1 
ATOM   905  N  NH1 . ARG A 1 113 ? 1.041   -12.290 -5.146  1.00 25.09 ? 316 ARG A NH1 1 
ATOM   906  N  NH2 . ARG A 1 113 ? 2.384   -12.547 -6.982  1.00 31.20 ? 316 ARG A NH2 1 
ATOM   907  N  N   . GLN A 1 114 ? -3.884  -6.944  -4.228  1.00 12.49 ? 317 GLN A N   1 
ATOM   908  C  CA  . GLN A 1 114 ? -4.634  -6.263  -3.131  1.00 15.54 ? 317 GLN A CA  1 
ATOM   909  C  C   . GLN A 1 114 ? -6.120  -6.542  -3.329  1.00 13.22 ? 317 GLN A C   1 
ATOM   910  O  O   . GLN A 1 114 ? -6.841  -6.896  -2.337  1.00 12.99 ? 317 GLN A O   1 
ATOM   911  C  CB  . GLN A 1 114 ? -4.316  -4.759  -3.124  1.00 18.77 ? 317 GLN A CB  1 
ATOM   912  C  CG  . GLN A 1 114 ? -5.204  -3.930  -2.204  1.00 29.41 ? 317 GLN A CG  1 
ATOM   913  C  CD  . GLN A 1 114 ? -4.574  -2.606  -1.830  1.00 35.65 ? 317 GLN A CD  1 
ATOM   914  O  OE1 . GLN A 1 114 ? -3.481  -2.276  -2.294  1.00 46.02 ? 317 GLN A OE1 1 
ATOM   915  N  NE2 . GLN A 1 114 ? -5.269  -1.830  -1.005  1.00 42.95 ? 317 GLN A NE2 1 
ATOM   916  N  N   . GLY A 1 115 ? -6.621  -6.400  -4.542  1.00 13.00 ? 318 GLY A N   1 
ATOM   917  C  CA  . GLY A 1 115 ? -8.045  -6.641  -4.828  1.00 13.41 ? 318 GLY A CA  1 
ATOM   918  C  C   . GLY A 1 115 ? -8.486  -8.015  -4.350  1.00 13.60 ? 318 GLY A C   1 
ATOM   919  O  O   . GLY A 1 115 ? -9.600  -8.154  -3.780  1.00 12.49 ? 318 GLY A O   1 
ATOM   920  N  N   . TRP A 1 116 ? -7.700  -9.060  -4.597  1.00 10.93 ? 319 TRP A N   1 
ATOM   921  C  CA  . TRP A 1 116 ? -8.082  -10.444 -4.244  1.00 10.71 ? 319 TRP A CA  1 
ATOM   922  C  C   . TRP A 1 116 ? -7.761  -10.721 -2.780  1.00 13.16 ? 319 TRP A C   1 
ATOM   923  O  O   . TRP A 1 116 ? -8.629  -11.238 -2.082  1.00 12.92 ? 319 TRP A O   1 
ATOM   924  C  CB  . TRP A 1 116 ? -7.395  -11.420 -5.213  1.00 10.38 ? 319 TRP A CB  1 
ATOM   925  C  CG  . TRP A 1 116 ? -8.151  -11.434 -6.487  1.00 10.17 ? 319 TRP A CG  1 
ATOM   926  C  CD1 . TRP A 1 116 ? -8.043  -10.634 -7.585  1.00 9.96  ? 319 TRP A CD1 1 
ATOM   927  C  CD2 . TRP A 1 116 ? -9.318  -12.229 -6.691  1.00 10.60 ? 319 TRP A CD2 1 
ATOM   928  N  NE1 . TRP A 1 116 ? -9.046  -10.913 -8.481  1.00 10.44 ? 319 TRP A NE1 1 
ATOM   929  C  CE2 . TRP A 1 116 ? -9.854  -11.872 -7.945  1.00 10.39 ? 319 TRP A CE2 1 
ATOM   930  C  CE3 . TRP A 1 116 ? -9.951  -13.187 -5.912  1.00 11.89 ? 319 TRP A CE3 1 
ATOM   931  C  CZ2 . TRP A 1 116 ? -11.003 -12.480 -8.456  1.00 11.12 ? 319 TRP A CZ2 1 
ATOM   932  C  CZ3 . TRP A 1 116 ? -11.076 -13.783 -6.427  1.00 12.19 ? 319 TRP A CZ3 1 
ATOM   933  C  CH2 . TRP A 1 116 ? -11.599 -13.423 -7.653  1.00 11.81 ? 319 TRP A CH2 1 
ATOM   934  N  N   . GLN A 1 117 ? -6.542  -10.468 -2.332  1.00 14.30 ? 320 GLN A N   1 
ATOM   935  C  CA  . GLN A 1 117 ? -6.112  -10.839 -0.963  1.00 18.12 ? 320 GLN A CA  1 
ATOM   936  C  C   . GLN A 1 117 ? -6.882  -9.976  0.039   1.00 19.84 ? 320 GLN A C   1 
ATOM   937  O  O   . GLN A 1 117 ? -7.411  -10.534 1.043   1.00 19.85 ? 320 GLN A O   1 
ATOM   938  C  CB  . GLN A 1 117 ? -4.609  -10.621 -0.870  1.00 21.70 ? 320 GLN A CB  1 
ATOM   939  C  CG  . GLN A 1 117 ? -3.911  -11.283 0.312   1.00 28.59 ? 320 GLN A CG  1 
ATOM   940  C  CD  . GLN A 1 117 ? -2.495  -11.538 -0.157  1.00 35.04 ? 320 GLN A CD  1 
ATOM   941  O  OE1 . GLN A 1 117 ? -1.856  -10.674 -0.767  1.00 35.75 ? 320 GLN A OE1 1 
ATOM   942  N  NE2 . GLN A 1 117 ? -2.034  -12.761 0.014   1.00 41.55 ? 320 GLN A NE2 1 
ATOM   943  N  N   . ARG A 1 118 ? -6.951  -8.677  -0.192  1.00 18.59 ? 321 ARG A N   1 
ATOM   944  C  CA  . ARG A 1 118 ? -7.567  -7.811  0.842   1.00 21.26 ? 321 ARG A CA  1 
ATOM   945  C  C   . ARG A 1 118 ? -9.069  -7.700  0.616   1.00 21.21 ? 321 ARG A C   1 
ATOM   946  O  O   . ARG A 1 118 ? -9.816  -8.112  1.484   1.00 24.50 ? 321 ARG A O   1 
ATOM   947  C  CB  . ARG A 1 118 ? -6.894  -6.425  0.861   1.00 25.52 ? 321 ARG A CB  1 
ATOM   948  C  CG  . ARG A 1 118 ? -7.773  -5.316  1.414   1.00 34.65 ? 321 ARG A CG  1 
ATOM   949  C  CD  . ARG A 1 118 ? -7.041  -4.495  2.456   1.00 42.22 ? 321 ARG A CD  1 
ATOM   950  N  NE  . ARG A 1 118 ? -6.623  -3.189  1.962   1.00 51.90 ? 321 ARG A NE  1 
ATOM   951  C  CZ  . ARG A 1 118 ? -7.011  -2.017  2.463   1.00 56.81 ? 321 ARG A CZ  1 
ATOM   952  N  NH1 . ARG A 1 118 ? -7.844  -1.961  3.488   1.00 60.23 ? 321 ARG A NH1 1 
ATOM   953  N  NH2 . ARG A 1 118 ? -6.549  -0.897  1.940   1.00 58.83 ? 321 ARG A NH2 1 
ATOM   954  N  N   . TYR A 1 119 ? -9.487  -7.265  -0.551  1.00 16.69 ? 322 TYR A N   1 
ATOM   955  C  CA  . TYR A 1 119 ? -10.924 -6.976  -0.763  1.00 15.78 ? 322 TYR A CA  1 
ATOM   956  C  C   . TYR A 1 119 ? -11.771 -8.261  -0.834  1.00 15.24 ? 322 TYR A C   1 
ATOM   957  O  O   . TYR A 1 119 ? -12.587 -8.433  0.052   1.00 18.14 ? 322 TYR A O   1 
ATOM   958  C  CB  . TYR A 1 119 ? -11.081 -5.979  -1.922  1.00 17.94 ? 322 TYR A CB  1 
ATOM   959  C  CG  . TYR A 1 119 ? -10.519 -4.619  -1.604  1.00 19.83 ? 322 TYR A CG  1 
ATOM   960  C  CD1 . TYR A 1 119 ? -11.250 -3.706  -0.865  1.00 26.85 ? 322 TYR A CD1 1 
ATOM   961  C  CD2 . TYR A 1 119 ? -9.252  -4.251  -2.022  1.00 20.68 ? 322 TYR A CD2 1 
ATOM   962  C  CE1 . TYR A 1 119 ? -10.744 -2.453  -0.565  1.00 28.02 ? 322 TYR A CE1 1 
ATOM   963  C  CE2 . TYR A 1 119 ? -8.730  -3.003  -1.729  1.00 24.59 ? 322 TYR A CE2 1 
ATOM   964  C  CZ  . TYR A 1 119 ? -9.478  -2.103  -0.992  1.00 30.22 ? 322 TYR A CZ  1 
ATOM   965  O  OH  . TYR A 1 119 ? -8.982  -0.866  -0.707  1.00 35.79 ? 322 TYR A OH  1 
ATOM   966  N  N   . TYR A 1 120 ? -11.547 -9.127  -1.811  1.00 11.95 ? 323 TYR A N   1 
ATOM   967  C  CA  . TYR A 1 120 ? -12.341 -10.374 -1.829  1.00 11.31 ? 323 TYR A CA  1 
ATOM   968  C  C   . TYR A 1 120 ? -12.136 -11.257 -0.586  1.00 11.61 ? 323 TYR A C   1 
ATOM   969  O  O   . TYR A 1 120 ? -13.117 -11.565 0.062   1.00 10.78 ? 323 TYR A O   1 
ATOM   970  C  CB  . TYR A 1 120 ? -11.984 -11.252 -3.038  1.00 11.21 ? 323 TYR A CB  1 
ATOM   971  C  CG  . TYR A 1 120 ? -12.617 -10.958 -4.376  1.00 11.39 ? 323 TYR A CG  1 
ATOM   972  C  CD1 . TYR A 1 120 ? -13.828 -11.524 -4.734  1.00 10.21 ? 323 TYR A CD1 1 
ATOM   973  C  CD2 . TYR A 1 120 ? -11.954 -10.204 -5.329  1.00 11.38 ? 323 TYR A CD2 1 
ATOM   974  C  CE1 . TYR A 1 120 ? -14.392 -11.297 -5.978  1.00 10.83 ? 323 TYR A CE1 1 
ATOM   975  C  CE2 . TYR A 1 120 ? -12.503 -9.966  -6.577  1.00 11.48 ? 323 TYR A CE2 1 
ATOM   976  C  CZ  . TYR A 1 120 ? -13.725 -10.521 -6.907  1.00 10.66 ? 323 TYR A CZ  1 
ATOM   977  O  OH  . TYR A 1 120 ? -14.281 -10.310 -8.133  1.00 12.22 ? 323 TYR A OH  1 
ATOM   978  N  N   . PHE A 1 121 ? -10.872 -11.629 -0.271  1.00 10.89 ? 324 PHE A N   1 
ATOM   979  C  CA  . PHE A 1 121 ? -10.713 -12.676 0.756   1.00 11.09 ? 324 PHE A CA  1 
ATOM   980  C  C   . PHE A 1 121 ? -11.029 -12.083 2.129   1.00 11.67 ? 324 PHE A C   1 
ATOM   981  O  O   . PHE A 1 121 ? -11.851 -12.676 2.900   1.00 10.22 ? 324 PHE A O   1 
ATOM   982  C  CB  . PHE A 1 121 ? -9.311  -13.287 0.736   1.00 11.82 ? 324 PHE A CB  1 
ATOM   983  C  CG  . PHE A 1 121 ? -8.933  -14.047 -0.505  1.00 12.54 ? 324 PHE A CG  1 
ATOM   984  C  CD1 . PHE A 1 121 ? -9.839  -14.426 -1.465  1.00 13.46 ? 324 PHE A CD1 1 
ATOM   985  C  CD2 . PHE A 1 121 ? -7.595  -14.371 -0.692  1.00 16.59 ? 324 PHE A CD2 1 
ATOM   986  C  CE1 . PHE A 1 121 ? -9.439  -15.131 -2.594  1.00 14.15 ? 324 PHE A CE1 1 
ATOM   987  C  CE2 . PHE A 1 121 ? -7.200  -15.088 -1.807  1.00 16.31 ? 324 PHE A CE2 1 
ATOM   988  C  CZ  . PHE A 1 121 ? -8.124  -15.469 -2.743  1.00 15.58 ? 324 PHE A CZ  1 
ATOM   989  N  N   . GLU A 1 122 ? -10.424 -10.968 2.511   1.00 12.98 ? 325 GLU A N   1 
ATOM   990  C  CA  . GLU A 1 122 ? -10.701 -10.359 3.844   1.00 14.53 ? 325 GLU A CA  1 
ATOM   991  C  C   . GLU A 1 122 ? -12.141 -9.832  3.871   1.00 12.36 ? 325 GLU A C   1 
ATOM   992  O  O   . GLU A 1 122 ? -12.827 -9.967  4.938   1.00 12.96 ? 325 GLU A O   1 
ATOM   993  C  CB  . GLU A 1 122 ? -9.595  -9.358  4.191   1.00 18.04 ? 325 GLU A CB  1 
ATOM   994  C  CG  . GLU A 1 122 ? -8.300  -10.096 4.521   1.00 25.65 ? 325 GLU A CG  1 
ATOM   995  C  CD  . GLU A 1 122 ? -6.992  -9.310  4.477   1.00 33.34 ? 325 GLU A CD  1 
ATOM   996  O  OE1 . GLU A 1 122 ? -7.030  -8.058  4.699   1.00 38.05 ? 325 GLU A OE1 1 
ATOM   997  O  OE2 . GLU A 1 122 ? -5.932  -9.960  4.224   1.00 41.10 ? 325 GLU A OE2 1 
ATOM   998  N  N   . GLY A 1 123 ? -12.684 -9.355  2.761   1.00 11.10 ? 326 GLY A N   1 
ATOM   999  C  CA  . GLY A 1 123 ? -14.062 -8.849  2.739   1.00 10.58 ? 326 GLY A CA  1 
ATOM   1000 C  C   . GLY A 1 123 ? -15.046 -9.991  2.979   1.00 10.09 ? 326 GLY A C   1 
ATOM   1001 O  O   . GLY A 1 123 ? -16.009 -9.885  3.756   1.00 9.75  ? 326 GLY A O   1 
ATOM   1002 N  N   . ILE A 1 124 ? -14.827 -11.133 2.317   1.00 8.94  ? 327 ILE A N   1 
ATOM   1003 C  CA  . ILE A 1 124 ? -15.702 -12.300 2.520   1.00 8.60  ? 327 ILE A CA  1 
ATOM   1004 C  C   . ILE A 1 124 ? -15.573 -12.746 3.979   1.00 9.03  ? 327 ILE A C   1 
ATOM   1005 O  O   . ILE A 1 124 ? -16.570 -13.032 4.607   1.00 8.95  ? 327 ILE A O   1 
ATOM   1006 C  CB  . ILE A 1 124 ? -15.326 -13.408 1.515   1.00 8.19  ? 327 ILE A CB  1 
ATOM   1007 C  CG1 . ILE A 1 124 ? -15.816 -13.050 0.115   1.00 8.36  ? 327 ILE A CG1 1 
ATOM   1008 C  CG2 . ILE A 1 124 ? -15.882 -14.747 1.975   1.00 7.93  ? 327 ILE A CG2 1 
ATOM   1009 C  CD1 . ILE A 1 124 ? -15.302 -13.954 -0.995  1.00 9.37  ? 327 ILE A CD1 1 
ATOM   1010 N  N   . LYS A 1 125 ? -14.358 -12.873 4.495   1.00 9.56  ? 328 LYS A N   1 
ATOM   1011 C  CA  . LYS A 1 125 ? -14.175 -13.379 5.872   1.00 9.63  ? 328 LYS A CA  1 
ATOM   1012 C  C   . LYS A 1 125 ? -14.851 -12.454 6.882   1.00 9.83  ? 328 LYS A C   1 
ATOM   1013 O  O   . LYS A 1 125 ? -15.546 -13.003 7.802   1.00 9.55  ? 328 LYS A O   1 
ATOM   1014 C  CB  . LYS A 1 125 ? -12.704 -13.558 6.219   1.00 9.43  ? 328 LYS A CB  1 
ATOM   1015 C  CG  . LYS A 1 125 ? -12.084 -14.777 5.583   1.00 10.45 ? 328 LYS A CG  1 
ATOM   1016 C  CD  . LYS A 1 125 ? -10.612 -14.918 5.895   1.00 11.75 ? 328 LYS A CD  1 
ATOM   1017 C  CE  . LYS A 1 125 ? -10.090 -16.248 5.470   1.00 13.59 ? 328 LYS A CE  1 
ATOM   1018 N  NZ  . LYS A 1 125 ? -8.675  -16.408 5.897   1.00 14.38 ? 328 LYS A NZ  1 
ATOM   1019 N  N   . GLN A 1 126 ? -14.765 -11.136 6.684   1.00 10.79 ? 329 GLN A N   1 
ATOM   1020 C  CA  . GLN A 1 126 ? -15.333 -10.123 7.617   1.00 12.25 ? 329 GLN A CA  1 
ATOM   1021 C  C   . GLN A 1 126 ? -16.844 -10.100 7.486   1.00 13.04 ? 329 GLN A C   1 
ATOM   1022 O  O   . GLN A 1 126 ? -17.532 -10.055 8.493   1.00 14.51 ? 329 GLN A O   1 
ATOM   1023 C  CB  . GLN A 1 126 ? -14.790 -8.723  7.368   1.00 17.07 ? 329 GLN A CB  1 
ATOM   1024 C  CG  . GLN A 1 126 ? -13.308 -8.635  7.676   1.00 22.64 ? 329 GLN A CG  1 
ATOM   1025 C  CD  . GLN A 1 126 ? -12.995 -8.322  9.112   1.00 28.03 ? 329 GLN A CD  1 
ATOM   1026 O  OE1 . GLN A 1 126 ? -13.876 -8.157  9.971   1.00 29.12 ? 329 GLN A OE1 1 
ATOM   1027 N  NE2 . GLN A 1 126 ? -11.706 -8.211  9.369   1.00 30.40 ? 329 GLN A NE2 1 
ATOM   1028 N  N   . THR A 1 127 ? -17.363 -10.223 6.269   1.00 11.72 ? 330 THR A N   1 
ATOM   1029 C  CA  . THR A 1 127 ? -18.816 -10.119 6.056   1.00 10.03 ? 330 THR A CA  1 
ATOM   1030 C  C   . THR A 1 127 ? -19.501 -11.352 6.659   1.00 9.79  ? 330 THR A C   1 
ATOM   1031 O  O   . THR A 1 127 ? -20.543 -11.163 7.347   1.00 10.27 ? 330 THR A O   1 
ATOM   1032 C  CB  . THR A 1 127 ? -19.183 -9.939  4.577   1.00 9.98  ? 330 THR A CB  1 
ATOM   1033 O  OG1 . THR A 1 127 ? -18.560 -8.728  4.145   1.00 10.75 ? 330 THR A OG1 1 
ATOM   1034 C  CG2 . THR A 1 127 ? -20.679 -9.921  4.325   1.00 10.09 ? 330 THR A CG2 1 
ATOM   1035 N  N   . PHE A 1 128 ? -18.978 -12.555 6.413   1.00 8.73  ? 331 PHE A N   1 
ATOM   1036 C  CA  . PHE A 1 128 ? -19.725 -13.801 6.707   1.00 8.62  ? 331 PHE A CA  1 
ATOM   1037 C  C   . PHE A 1 128 ? -19.246 -14.454 7.999   1.00 9.38  ? 331 PHE A C   1 
ATOM   1038 O  O   . PHE A 1 128 ? -19.901 -15.426 8.456   1.00 10.86 ? 331 PHE A O   1 
ATOM   1039 C  CB  . PHE A 1 128 ? -19.706 -14.757 5.505   1.00 8.63  ? 331 PHE A CB  1 
ATOM   1040 C  CG  . PHE A 1 128 ? -20.356 -14.177 4.283   1.00 8.76  ? 331 PHE A CG  1 
ATOM   1041 C  CD1 . PHE A 1 128 ? -21.729 -14.156 4.170   1.00 9.37  ? 331 PHE A CD1 1 
ATOM   1042 C  CD2 . PHE A 1 128 ? -19.593 -13.635 3.266   1.00 9.17  ? 331 PHE A CD2 1 
ATOM   1043 C  CE1 . PHE A 1 128 ? -22.324 -13.559 3.065   1.00 10.06 ? 331 PHE A CE1 1 
ATOM   1044 C  CE2 . PHE A 1 128 ? -20.187 -13.025 2.184   1.00 9.69  ? 331 PHE A CE2 1 
ATOM   1045 C  CZ  . PHE A 1 128 ? -21.550 -13.032 2.071   1.00 9.75  ? 331 PHE A CZ  1 
ATOM   1046 N  N   . GLY A 1 129 ? -18.121 -13.988 8.539   1.00 9.72  ? 332 GLY A N   1 
ATOM   1047 C  CA  . GLY A 1 129 ? -17.537 -14.624 9.731   1.00 10.20 ? 332 GLY A CA  1 
ATOM   1048 C  C   . GLY A 1 129 ? -16.845 -15.930 9.400   1.00 9.51  ? 332 GLY A C   1 
ATOM   1049 O  O   . GLY A 1 129 ? -17.122 -16.973 9.996   1.00 10.22 ? 332 GLY A O   1 
ATOM   1050 N  N   . TYR A 1 130 ? -15.912 -15.902 8.437   1.00 9.37  ? 333 TYR A N   1 
ATOM   1051 C  CA  . TYR A 1 130 ? -15.241 -17.163 7.997   1.00 9.82  ? 333 TYR A CA  1 
ATOM   1052 C  C   . TYR A 1 130 ? -13.791 -17.247 8.475   1.00 9.94  ? 333 TYR A C   1 
ATOM   1053 O  O   . TYR A 1 130 ? -12.982 -17.869 7.813   1.00 10.88 ? 333 TYR A O   1 
ATOM   1054 C  CB  . TYR A 1 130 ? -15.285 -17.364 6.484   1.00 9.93  ? 333 TYR A CB  1 
ATOM   1055 C  CG  . TYR A 1 130 ? -16.646 -17.569 5.864   1.00 10.70 ? 333 TYR A CG  1 
ATOM   1056 C  CD1 . TYR A 1 130 ? -17.727 -18.025 6.598   1.00 10.84 ? 333 TYR A CD1 1 
ATOM   1057 C  CD2 . TYR A 1 130 ? -16.841 -17.328 4.517   1.00 11.18 ? 333 TYR A CD2 1 
ATOM   1058 C  CE1 . TYR A 1 130 ? -18.966 -18.225 6.013   1.00 11.22 ? 333 TYR A CE1 1 
ATOM   1059 C  CE2 . TYR A 1 130 ? -18.070 -17.523 3.917   1.00 11.76 ? 333 TYR A CE2 1 
ATOM   1060 C  CZ  . TYR A 1 130 ? -19.136 -17.977 4.665   1.00 11.87 ? 333 TYR A CZ  1 
ATOM   1061 O  OH  . TYR A 1 130 ? -20.348 -18.173 4.075   1.00 13.98 ? 333 TYR A OH  1 
ATOM   1062 N  N   . GLY A 1 131 ? -13.542 -16.657 9.619   1.00 10.12 ? 334 GLY A N   1 
ATOM   1063 C  CA  . GLY A 1 131 ? -12.236 -16.729 10.293  1.00 10.82 ? 334 GLY A CA  1 
ATOM   1064 C  C   . GLY A 1 131 ? -11.410 -15.527 10.031  1.00 13.58 ? 334 GLY A C   1 
ATOM   1065 O  O   . GLY A 1 131 ? -11.832 -14.669 9.303   1.00 14.32 ? 334 GLY A O   1 
ATOM   1066 N  N   . ALA A 1 132 ? -10.261 -15.482 10.696  1.00 14.32 ? 335 ALA A N   1 
ATOM   1067 C  CA  . ALA A 1 132 ? -9.349  -14.352 10.504  1.00 18.44 ? 335 ALA A CA  1 
ATOM   1068 C  C   . ALA A 1 132 ? -8.573  -14.531 9.188   1.00 20.29 ? 335 ALA A C   1 
ATOM   1069 O  O   . ALA A 1 132 ? -8.280  -13.486 8.604   1.00 28.83 ? 335 ALA A O   1 
ATOM   1070 C  CB  . ALA A 1 132 ? -8.428  -14.287 11.693  1.00 18.18 ? 335 ALA A CB  1 
HETATM 1071 C  CAA . R75 B 2 .   ? -11.173 -2.690  -5.338  1.00 14.28 ? 401 R75 A CAA 1 
HETATM 1072 C  CAB . R75 B 2 .   ? -10.071 -2.160  -5.994  1.00 13.80 ? 401 R75 A CAB 1 
HETATM 1073 C  CAC . R75 B 2 .   ? -10.206 -1.092  -6.895  1.00 14.06 ? 401 R75 A CAC 1 
HETATM 1074 C  CAD . R75 B 2 .   ? -11.463 -0.526  -7.008  1.00 15.70 ? 401 R75 A CAD 1 
HETATM 1075 C  CAE . R75 B 2 .   ? -12.554 -1.027  -6.347  1.00 16.83 ? 401 R75 A CAE 1 
HETATM 1076 C  CAF . R75 B 2 .   ? -12.421 -2.106  -5.486  1.00 16.57 ? 401 R75 A CAF 1 
HETATM 1077 C  CAJ . R75 B 2 .   ? -13.578 -2.673  -4.747  1.00 19.66 ? 401 R75 A CAJ 1 
HETATM 1078 C  CAL . R75 B 2 .   ? -13.629 -4.137  -4.460  1.00 19.35 ? 401 R75 A CAL 1 
HETATM 1079 C  CAM . R75 B 2 .   ? -13.232 -5.213  -5.192  1.00 19.43 ? 401 R75 A CAM 1 
HETATM 1080 C  CAO . R75 B 2 .   ? -13.990 -6.027  -3.301  1.00 20.31 ? 401 R75 A CAO 1 
HETATM 1081 C  CAP . R75 B 2 .   ? -14.135 -4.661  -3.223  1.00 23.04 ? 401 R75 A CAP 1 
HETATM 1082 C  CAQ . R75 B 2 .   ? -12.606 -5.392  -6.519  1.00 19.36 ? 401 R75 A CAQ 1 
HETATM 1083 C  CAR . R75 B 2 .   ? -11.323 -6.196  -6.431  1.00 19.99 ? 401 R75 A CAR 1 
HETATM 1084 C  CAS . R75 B 2 .   ? -14.341 -6.902  -2.287  1.00 24.96 ? 401 R75 A CAS 1 
HETATM 1085 C  CAT . R75 B 2 .   ? -14.874 -6.312  -1.150  1.00 23.71 ? 401 R75 A CAT 1 
HETATM 1086 C  CAU . R75 B 2 .   ? -15.024 -4.933  -1.045  1.00 25.08 ? 401 R75 A CAU 1 
HETATM 1087 C  CAV . R75 B 2 .   ? -14.666 -4.095  -2.076  1.00 22.37 ? 401 R75 A CAV 1 
HETATM 1088 O  OAG . R75 B 2 .   ? -9.164  -0.577  -7.526  1.00 17.19 ? 401 R75 A OAG 1 
HETATM 1089 O  OAK . R75 B 2 .   ? -14.476 -1.910  -4.392  1.00 20.99 ? 401 R75 A OAK 1 
HETATM 1090 O  OAN . R75 B 2 .   ? -13.449 -6.389  -4.506  1.00 22.72 ? 401 R75 A OAN 1 
HETATM 1091 BR BR1 . R75 B 2 .   ? -11.724 0.909   -8.212  1.00 20.16 ? 401 R75 A BR1 1 
HETATM 1092 BR BR2 . R75 B 2 .   ? -8.376  -2.971  -5.738  1.00 16.95 ? 401 R75 A BR2 1 
HETATM 1093 O  O   . HOH C 3 .   ? -22.832 -22.847 -10.375 1.00 32.91 ? 501 HOH A O   1 
HETATM 1094 O  O   . HOH C 3 .   ? -5.192  0.452   -14.906 1.00 35.29 ? 502 HOH A O   1 
HETATM 1095 O  O   . HOH C 3 .   ? -29.525 -15.015 -6.608  1.00 22.09 ? 503 HOH A O   1 
HETATM 1096 O  O   . HOH C 3 .   ? -24.149 -20.671 -7.871  1.00 30.56 ? 504 HOH A O   1 
HETATM 1097 O  O   . HOH C 3 .   ? -3.908  -20.392 -14.179 1.00 22.38 ? 505 HOH A O   1 
HETATM 1098 O  O   . HOH C 3 .   ? -19.400 -6.476  5.177   1.00 28.21 ? 506 HOH A O   1 
HETATM 1099 O  O   . HOH C 3 .   ? -22.042 -1.252  -8.237  1.00 23.28 ? 507 HOH A O   1 
HETATM 1100 O  O   . HOH C 3 .   ? -30.555 -8.968  -6.419  1.00 26.30 ? 508 HOH A O   1 
HETATM 1101 O  O   . HOH C 3 .   ? -17.789 -9.610  -21.409 1.00 30.24 ? 509 HOH A O   1 
HETATM 1102 O  O   . HOH C 3 .   ? -16.602 -6.763  -18.968 1.00 22.02 ? 510 HOH A O   1 
HETATM 1103 O  O   . HOH C 3 .   ? -23.327 -19.138 1.465   1.00 34.78 ? 511 HOH A O   1 
HETATM 1104 O  O   . HOH C 3 .   ? -4.524  -21.632 2.705   1.00 33.11 ? 512 HOH A O   1 
HETATM 1105 O  O   . HOH C 3 .   ? -1.629  -14.817 -20.460 1.00 21.68 ? 513 HOH A O   1 
HETATM 1106 O  O   . HOH C 3 .   ? -28.651 -10.127 -12.703 1.00 26.65 ? 514 HOH A O   1 
HETATM 1107 O  O   . HOH C 3 .   ? -6.902  -13.949 -20.247 1.00 13.26 ? 515 HOH A O   1 
HETATM 1108 O  O   . HOH C 3 .   ? -22.258 -19.549 5.381   1.00 27.28 ? 516 HOH A O   1 
HETATM 1109 O  O   . HOH C 3 .   ? -8.192  -22.532 -15.770 1.00 22.05 ? 517 HOH A O   1 
HETATM 1110 O  O   . HOH C 3 .   ? -11.804 -8.864  -25.784 1.00 18.99 ? 518 HOH A O   1 
HETATM 1111 O  O   . HOH C 3 .   ? 4.114   -7.259  -12.796 1.00 26.79 ? 519 HOH A O   1 
HETATM 1112 O  O   . HOH C 3 .   ? -13.005 -21.921 -18.998 1.00 19.96 ? 520 HOH A O   1 
HETATM 1113 O  O   . HOH C 3 .   ? -26.618 -18.945 -2.815  1.00 24.48 ? 521 HOH A O   1 
HETATM 1114 O  O   . HOH C 3 .   ? 3.900   -4.029  -11.416 1.00 28.20 ? 522 HOH A O   1 
HETATM 1115 O  O   . HOH C 3 .   ? -16.304 -11.961 -8.922  1.00 38.08 ? 523 HOH A O   1 
HETATM 1116 O  O   . HOH C 3 .   ? -22.428 -16.222 7.755   1.00 21.51 ? 524 HOH A O   1 
HETATM 1117 O  O   . HOH C 3 .   ? -5.909  -18.217 4.912   1.00 27.56 ? 525 HOH A O   1 
HETATM 1118 O  O   . HOH C 3 .   ? -20.098 -17.129 10.609  1.00 16.93 ? 526 HOH A O   1 
HETATM 1119 O  O   . HOH C 3 .   ? -7.805  -17.813 -21.082 1.00 17.97 ? 527 HOH A O   1 
HETATM 1120 O  O   . HOH C 3 .   ? -17.272 -20.877 10.763  1.00 14.06 ? 528 HOH A O   1 
HETATM 1121 O  O   . HOH C 3 .   ? 1.957   -17.588 -9.899  1.00 30.25 ? 529 HOH A O   1 
HETATM 1122 O  O   . HOH C 3 .   ? -12.127 -11.919 9.530   1.00 22.88 ? 530 HOH A O   1 
HETATM 1123 O  O   . HOH C 3 .   ? -27.108 -8.304  0.000   0.50 15.54 ? 531 HOH A O   1 
HETATM 1124 O  O   . HOH C 3 .   ? -6.378  -18.887 -14.546 1.00 13.02 ? 532 HOH A O   1 
HETATM 1125 O  O   . HOH C 3 .   ? 2.159   0.088   -10.848 1.00 14.11 ? 533 HOH A O   1 
HETATM 1126 O  O   . HOH C 3 .   ? -20.627 -4.952  -6.357  1.00 11.05 ? 534 HOH A O   1 
HETATM 1127 O  O   . HOH C 3 .   ? -24.625 -4.152  -0.280  1.00 25.83 ? 535 HOH A O   1 
HETATM 1128 O  O   . HOH C 3 .   ? -27.384 -15.897 -11.441 1.00 24.87 ? 536 HOH A O   1 
HETATM 1129 O  O   . HOH C 3 .   ? -9.580  1.552   -20.779 1.00 23.96 ? 537 HOH A O   1 
HETATM 1130 O  O   . HOH C 3 .   ? 2.220   -15.367 -7.222  1.00 20.56 ? 538 HOH A O   1 
HETATM 1131 O  O   . HOH C 3 .   ? -13.433 -4.012  -21.847 1.00 22.41 ? 539 HOH A O   1 
HETATM 1132 O  O   . HOH C 3 .   ? -14.735 -14.969 11.567  1.00 13.64 ? 540 HOH A O   1 
HETATM 1133 O  O   . HOH C 3 .   ? -8.103  -10.306 -23.169 1.00 14.86 ? 541 HOH A O   1 
HETATM 1134 O  O   . HOH C 3 .   ? -11.917 -31.245 -1.761  1.00 32.45 ? 542 HOH A O   1 
HETATM 1135 O  O   . HOH C 3 .   ? -7.041  -22.413 -8.941  1.00 14.28 ? 543 HOH A O   1 
HETATM 1136 O  O   . HOH C 3 .   ? -19.234 -24.730 -16.764 1.00 23.77 ? 544 HOH A O   1 
HETATM 1137 O  O   . HOH C 3 .   ? -7.823  -22.455 9.072   1.00 26.12 ? 545 HOH A O   1 
HETATM 1138 O  O   . HOH C 3 .   ? -0.735  -2.120  -9.345  1.00 12.75 ? 546 HOH A O   1 
HETATM 1139 O  O   . HOH C 3 .   ? -9.068  1.236   -23.722 1.00 27.23 ? 547 HOH A O   1 
HETATM 1140 O  O   . HOH C 3 .   ? -17.003 -14.384 -8.643  1.00 23.49 ? 548 HOH A O   1 
HETATM 1141 O  O   . HOH C 3 .   ? 3.359   -10.698 -21.098 1.00 15.63 ? 549 HOH A O   1 
HETATM 1142 O  O   . HOH C 3 .   ? -14.757 -2.472  -18.247 1.00 19.23 ? 550 HOH A O   1 
HETATM 1143 O  O   . HOH C 3 .   ? 5.444   -8.954  -18.414 1.00 22.26 ? 551 HOH A O   1 
HETATM 1144 O  O   . HOH C 3 .   ? -11.542 -18.412 -19.813 1.00 17.47 ? 552 HOH A O   1 
HETATM 1145 O  O   . HOH C 3 .   ? -27.167 -14.942 -8.299  1.00 23.22 ? 553 HOH A O   1 
HETATM 1146 O  O   . HOH C 3 .   ? -1.376  -16.532 -0.985  1.00 23.94 ? 554 HOH A O   1 
HETATM 1147 O  O   . HOH C 3 .   ? 2.134   -3.591  -9.567  1.00 18.49 ? 555 HOH A O   1 
HETATM 1148 O  O   . HOH C 3 .   ? -11.052 0.605   -12.573 1.00 14.87 ? 556 HOH A O   1 
HETATM 1149 O  O   . HOH C 3 .   ? -22.321 1.278   -3.193  1.00 31.44 ? 557 HOH A O   1 
HETATM 1150 O  O   . HOH C 3 .   ? -7.452  -25.194 -3.234  1.00 28.30 ? 558 HOH A O   1 
HETATM 1151 O  O   . HOH C 3 .   ? -18.076 -15.379 -24.649 1.00 27.24 ? 559 HOH A O   1 
HETATM 1152 O  O   . HOH C 3 .   ? -19.241 -28.391 0.731   1.00 20.32 ? 560 HOH A O   1 
HETATM 1153 O  O   . HOH C 3 .   ? -16.702 -11.325 11.050  1.00 30.37 ? 561 HOH A O   1 
HETATM 1154 O  O   . HOH C 3 .   ? -30.905 -8.912  -10.997 1.00 32.94 ? 562 HOH A O   1 
HETATM 1155 O  O   . HOH C 3 .   ? -18.626 -8.431  -19.030 1.00 26.52 ? 563 HOH A O   1 
HETATM 1156 O  O   . HOH C 3 .   ? -19.403 -21.248 7.957   1.00 24.61 ? 564 HOH A O   1 
HETATM 1157 O  O   . HOH C 3 .   ? -4.968  1.886   -11.718 1.00 31.96 ? 565 HOH A O   1 
HETATM 1158 O  O   . HOH C 3 .   ? -5.377  -23.004 -10.878 1.00 32.16 ? 566 HOH A O   1 
HETATM 1159 O  O   . HOH C 3 .   ? -21.603 -2.845  -10.697 1.00 28.61 ? 567 HOH A O   1 
HETATM 1160 O  O   . HOH C 3 .   ? -5.293  -17.929 -19.638 1.00 20.70 ? 568 HOH A O   1 
HETATM 1161 O  O   . HOH C 3 .   ? 4.976   -3.557  -14.843 1.00 24.49 ? 569 HOH A O   1 
HETATM 1162 O  O   . HOH C 3 .   ? -4.335  -15.117 -19.850 1.00 21.90 ? 570 HOH A O   1 
HETATM 1163 O  O   . HOH C 3 .   ? -14.324 -12.248 11.149  1.00 25.39 ? 571 HOH A O   1 
HETATM 1164 O  O   . HOH C 3 .   ? -5.827  -19.599 -17.290 1.00 19.73 ? 572 HOH A O   1 
HETATM 1165 O  O   . HOH C 3 .   ? -10.350 3.472   -12.377 1.00 30.07 ? 573 HOH A O   1 
HETATM 1166 O  O   . HOH C 3 .   ? -27.108 -5.693  0.000   0.50 35.28 ? 574 HOH A O   1 
HETATM 1167 O  O   . HOH C 3 .   ? -6.517  -13.656 -24.677 1.00 29.04 ? 575 HOH A O   1 
HETATM 1168 O  O   . HOH C 3 .   ? 3.068   -1.194  -8.517  1.00 27.30 ? 576 HOH A O   1 
HETATM 1169 O  O   . HOH C 3 .   ? -9.428  -19.953 -20.449 1.00 26.45 ? 577 HOH A O   1 
HETATM 1170 O  O   . HOH C 3 .   ? -7.886  -21.434 -18.276 1.00 28.74 ? 578 HOH A O   1 
# 
