data_8Z3H
# 
_entry.id   8Z3H 
# 
_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   8Z3H         pdb_00008z3h 10.2210/pdb8z3h/pdb 
WWPDB D_1300046953 ?            ?                   
# 
_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                        8Z3H 
_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         Naixia 
_pdbx_contact_author.name_last          Zhang 
_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 water   nat water                                                     18.015    70 ? ? ? ?      
# 
_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         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     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      Eschenbachia 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     1408200 
_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 
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 
# 
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 HOH 1  401 46 HOH HOH A . 
B 2 HOH 2  402 61 HOH HOH A . 
B 2 HOH 3  403 48 HOH HOH A . 
B 2 HOH 4  404 17 HOH HOH A . 
B 2 HOH 5  405 14 HOH HOH A . 
B 2 HOH 6  406 44 HOH HOH A . 
B 2 HOH 7  407 18 HOH HOH A . 
B 2 HOH 8  408 64 HOH HOH A . 
B 2 HOH 9  409 24 HOH HOH A . 
B 2 HOH 10 410 57 HOH HOH A . 
B 2 HOH 11 411 31 HOH HOH A . 
B 2 HOH 12 412 22 HOH HOH A . 
B 2 HOH 13 413 41 HOH HOH A . 
B 2 HOH 14 414 38 HOH HOH A . 
B 2 HOH 15 415 49 HOH HOH A . 
B 2 HOH 16 416 1  HOH HOH A . 
B 2 HOH 17 417 16 HOH HOH A . 
B 2 HOH 18 418 45 HOH HOH A . 
B 2 HOH 19 419 5  HOH HOH A . 
B 2 HOH 20 420 52 HOH HOH A . 
B 2 HOH 21 421 25 HOH HOH A . 
B 2 HOH 22 422 2  HOH HOH A . 
B 2 HOH 23 423 9  HOH HOH A . 
B 2 HOH 24 424 37 HOH HOH A . 
B 2 HOH 25 425 11 HOH HOH A . 
B 2 HOH 26 426 51 HOH HOH A . 
B 2 HOH 27 427 15 HOH HOH A . 
B 2 HOH 28 428 13 HOH HOH A . 
B 2 HOH 29 429 35 HOH HOH A . 
B 2 HOH 30 430 34 HOH HOH A . 
B 2 HOH 31 431 4  HOH HOH A . 
B 2 HOH 32 432 23 HOH HOH A . 
B 2 HOH 33 433 69 HOH HOH A . 
B 2 HOH 34 434 30 HOH HOH A . 
B 2 HOH 35 435 3  HOH HOH A . 
B 2 HOH 36 436 33 HOH HOH A . 
B 2 HOH 37 437 39 HOH HOH A . 
B 2 HOH 38 438 47 HOH HOH A . 
B 2 HOH 39 439 65 HOH HOH A . 
B 2 HOH 40 440 26 HOH HOH A . 
B 2 HOH 41 441 36 HOH HOH A . 
B 2 HOH 42 442 7  HOH HOH A . 
B 2 HOH 43 443 12 HOH HOH A . 
B 2 HOH 44 444 63 HOH HOH A . 
B 2 HOH 45 445 28 HOH HOH A . 
B 2 HOH 46 446 70 HOH HOH A . 
B 2 HOH 47 447 59 HOH HOH A . 
B 2 HOH 48 448 60 HOH HOH A . 
B 2 HOH 49 449 6  HOH HOH A . 
B 2 HOH 50 450 20 HOH HOH A . 
B 2 HOH 51 451 10 HOH HOH A . 
B 2 HOH 52 452 58 HOH HOH A . 
B 2 HOH 53 453 32 HOH HOH A . 
B 2 HOH 54 454 21 HOH HOH A . 
B 2 HOH 55 455 27 HOH HOH A . 
B 2 HOH 56 456 54 HOH HOH A . 
B 2 HOH 57 457 50 HOH HOH A . 
B 2 HOH 58 458 66 HOH HOH A . 
B 2 HOH 59 459 8  HOH HOH A . 
B 2 HOH 60 460 55 HOH HOH A . 
B 2 HOH 61 461 62 HOH HOH A . 
B 2 HOH 62 462 29 HOH HOH A . 
B 2 HOH 63 463 53 HOH HOH A . 
B 2 HOH 64 464 67 HOH HOH A . 
B 2 HOH 65 465 68 HOH HOH A . 
B 2 HOH 66 466 40 HOH HOH A . 
B 2 HOH 67 467 42 HOH HOH A . 
B 2 HOH 68 468 19 HOH HOH A . 
B 2 HOH 69 469 43 HOH HOH A . 
B 2 HOH 70 470 56 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 scaling'   ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? 3.6.1    2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? 3.6.1    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                     8Z3H 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     54.200 
_cell.length_a_esd                 ? 
_cell.length_b                     66.340 
_cell.length_b_esd                 ? 
_cell.length_c                     68.270 
_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                         8Z3H 
_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                   8Z3H 
_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             2.02 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          39.13 
_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 MIB pH 7.0,
25% 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 EIGER2 S 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-09-28 
_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   0.979145 
_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 BL02U1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.979145 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL02U1 
_diffrn_source.pdbx_synchrotron_site       SSRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8Z3H 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.5 
_reflns.d_resolution_low                               42.45 
_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                                     19683 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           97.92 
_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                          17.71 
_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                                   0.998 
_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                                    1.5 
_reflns_shell.d_res_low                                     1.554 
_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                             1875 
_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                                  0.955 
_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]                            0.13 
_refine.aniso_B[1][2]                            0.00 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][2]                            0.88 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            -1.01 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               16.471 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.960 
_refine.correlation_coeff_Fo_to_Fc_free          0.936 
_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                                 8Z3H 
_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                            1.50 
_refine.ls_d_res_low                             42.45 
_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                     18688 
_refine.ls_number_reflns_R_free                  995 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    97.95 
_refine.ls_percent_reflns_R_free                 5.1 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.18062 
_refine.ls_R_factor_R_free                       0.21848 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.17853 
_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                       0.080 
_refine.pdbx_overall_ESU_R_Free                  0.085 
_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                             1.240 
_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                       1.50 
_refine_hist.d_res_low                        42.45 
_refine_hist.number_atoms_solvent             70 
_refine_hist.number_atoms_total               1140 
_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         0 
_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  1100 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.015  1007 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.736  1.664  1488 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 1.518  1.576  2328 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 6.496  5.000  131  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 34.702 21.967 61   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 12.808 15.000 185  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 26.040 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  1233 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  265  ? 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' ? 1.586  1.367  527  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 1.559  1.364  526  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 2.317  2.044  657  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 2.318  2.046  658  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 3.152  1.819  573  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 3.149  1.820  574  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 4.866  2.575  832  ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 6.384  18.183 1243 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 6.209  17.556 1215 ? 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                       1.500 
_refine_ls_shell.d_res_low                        1.539 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             64 
_refine_ls_shell.number_reflns_R_work             1299 
_refine_ls_shell.percent_reflns_obs               93.87 
_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                  0.220 
_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                  0.217 
# 
_struct.entry_id                     8Z3H 
_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        8Z3H 
_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 ? 
# 
_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              8Z3H 
_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 
# 
_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 GLU A 108 ? TYR A 120 ? GLU A 311 TYR A 323 1 ? 13 
HELX_P HELX_P4 AA4 TYR A 120 ? GLY A 129 ? TYR A 323 GLY A 332 1 ? 10 
# 
_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                   8Z3H 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 LYS A 268 ? ? -124.56 -51.79 
2 1 TYR A 323 ? ? -90.64  -67.97 
# 
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 419 ? B HOH . 
2 1 A HOH 468 ? B 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 
SER N    N N N 290 
SER CA   C N S 291 
SER C    C N N 292 
SER O    O N N 293 
SER CB   C N N 294 
SER OG   O N N 295 
SER OXT  O N N 296 
SER H    H N N 297 
SER H2   H N N 298 
SER HA   H N N 299 
SER HB2  H N N 300 
SER HB3  H N N 301 
SER HG   H N N 302 
SER HXT  H N N 303 
THR N    N N N 304 
THR CA   C N S 305 
THR C    C N N 306 
THR O    O N N 307 
THR CB   C N R 308 
THR OG1  O N N 309 
THR CG2  C N N 310 
THR OXT  O N N 311 
THR H    H N N 312 
THR H2   H N N 313 
THR HA   H N N 314 
THR HB   H N N 315 
THR HG1  H N N 316 
THR HG21 H N N 317 
THR HG22 H N N 318 
THR HG23 H N N 319 
THR HXT  H N N 320 
TRP N    N N N 321 
TRP CA   C N S 322 
TRP C    C N N 323 
TRP O    O N N 324 
TRP CB   C N N 325 
TRP CG   C Y N 326 
TRP CD1  C Y N 327 
TRP CD2  C Y N 328 
TRP NE1  N Y N 329 
TRP CE2  C Y N 330 
TRP CE3  C Y N 331 
TRP CZ2  C Y N 332 
TRP CZ3  C Y N 333 
TRP CH2  C Y N 334 
TRP OXT  O N N 335 
TRP H    H N N 336 
TRP H2   H N N 337 
TRP HA   H N N 338 
TRP HB2  H N N 339 
TRP HB3  H N N 340 
TRP HD1  H N N 341 
TRP HE1  H N N 342 
TRP HE3  H N N 343 
TRP HZ2  H N N 344 
TRP HZ3  H N N 345 
TRP HH2  H N N 346 
TRP HXT  H N N 347 
TYR N    N N N 348 
TYR CA   C N S 349 
TYR C    C N N 350 
TYR O    O N N 351 
TYR CB   C N N 352 
TYR CG   C Y N 353 
TYR CD1  C Y N 354 
TYR CD2  C Y N 355 
TYR CE1  C Y N 356 
TYR CE2  C Y N 357 
TYR CZ   C Y N 358 
TYR OH   O N N 359 
TYR OXT  O N N 360 
TYR H    H N N 361 
TYR H2   H N N 362 
TYR HA   H N N 363 
TYR HB2  H N N 364 
TYR HB3  H N N 365 
TYR HD1  H N N 366 
TYR HD2  H N N 367 
TYR HE1  H N N 368 
TYR HE2  H N N 369 
TYR HH   H N N 370 
TYR HXT  H N N 371 
VAL N    N N N 372 
VAL CA   C N S 373 
VAL C    C N N 374 
VAL O    O N N 375 
VAL CB   C N N 376 
VAL CG1  C N N 377 
VAL CG2  C N N 378 
VAL OXT  O N N 379 
VAL H    H N N 380 
VAL H2   H N N 381 
VAL HA   H N N 382 
VAL HB   H N N 383 
VAL HG11 H N N 384 
VAL HG12 H N N 385 
VAL HG13 H N N 386 
VAL HG21 H N N 387 
VAL HG22 H N N 388 
VAL HG23 H N N 389 
VAL HXT  H N N 390 
# 
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 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
TYR N   CA   sing N N 334 
TYR N   H    sing N N 335 
TYR N   H2   sing N N 336 
TYR CA  C    sing N N 337 
TYR CA  CB   sing N N 338 
TYR CA  HA   sing N N 339 
TYR C   O    doub N N 340 
TYR C   OXT  sing N N 341 
TYR CB  CG   sing N N 342 
TYR CB  HB2  sing N N 343 
TYR CB  HB3  sing N N 344 
TYR CG  CD1  doub Y N 345 
TYR CG  CD2  sing Y N 346 
TYR CD1 CE1  sing Y N 347 
TYR CD1 HD1  sing N N 348 
TYR CD2 CE2  doub Y N 349 
TYR CD2 HD2  sing N N 350 
TYR CE1 CZ   doub Y N 351 
TYR CE1 HE1  sing N N 352 
TYR CE2 CZ   sing Y N 353 
TYR CE2 HE2  sing N N 354 
TYR CZ  OH   sing N N 355 
TYR OH  HH   sing N N 356 
TYR OXT HXT  sing N N 357 
VAL N   CA   sing N N 358 
VAL N   H    sing N N 359 
VAL N   H2   sing N N 360 
VAL CA  C    sing N N 361 
VAL CA  CB   sing N N 362 
VAL CA  HA   sing N N 363 
VAL C   O    doub N N 364 
VAL C   OXT  sing N N 365 
VAL CB  CG1  sing N N 366 
VAL CB  CG2  sing N N 367 
VAL CB  HB   sing N N 368 
VAL CG1 HG11 sing N N 369 
VAL CG1 HG12 sing N N 370 
VAL CG1 HG13 sing N N 371 
VAL CG2 HG21 sing N N 372 
VAL CG2 HG22 sing N N 373 
VAL CG2 HG23 sing N N 374 
VAL OXT HXT  sing N N 375 
# 
_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                    8Z3H 
_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]   0.018450 
_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]   0.015074 
_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]   0.014648 
_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 
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   ? -27.755 -27.384 -24.673 1.00 38.25 ? 204 ILE A N   1 
ATOM   2    C CA  . ILE A 1 1   ? -27.650 -27.648 -23.198 1.00 30.77 ? 204 ILE A CA  1 
ATOM   3    C C   . ILE A 1 1   ? -28.506 -26.626 -22.439 1.00 26.82 ? 204 ILE A C   1 
ATOM   4    O O   . ILE A 1 1   ? -28.281 -25.406 -22.518 1.00 30.94 ? 204 ILE A O   1 
ATOM   5    C CB  . ILE A 1 1   ? -26.162 -27.627 -22.769 1.00 35.30 ? 204 ILE A CB  1 
ATOM   6    C CG1 . ILE A 1 1   ? -25.944 -28.035 -21.315 1.00 37.22 ? 204 ILE A CG1 1 
ATOM   7    C CG2 . ILE A 1 1   ? -25.509 -26.283 -23.063 1.00 38.23 ? 204 ILE A CG2 1 
ATOM   8    C CD1 . ILE A 1 1   ? -24.505 -28.019 -20.912 1.00 38.84 ? 204 ILE A CD1 1 
ATOM   9    N N   . PRO A 1 2   ? -29.549 -27.049 -21.684 1.00 21.05 ? 205 PRO A N   1 
ATOM   10   C CA  . PRO A 1 2   ? -30.230 -26.143 -20.776 1.00 17.60 ? 205 PRO A CA  1 
ATOM   11   C C   . PRO A 1 2   ? -29.258 -25.707 -19.667 1.00 14.30 ? 205 PRO A C   1 
ATOM   12   O O   . PRO A 1 2   ? -28.565 -26.540 -19.109 1.00 14.46 ? 205 PRO A O   1 
ATOM   13   C CB  . PRO A 1 2   ? -31.387 -26.928 -20.159 1.00 19.38 ? 205 PRO A CB  1 
ATOM   14   C CG  . PRO A 1 2   ? -31.112 -28.371 -20.531 1.00 22.51 ? 205 PRO A CG  1 
ATOM   15   C CD  . PRO A 1 2   ? -30.185 -28.373 -21.724 1.00 22.44 ? 205 PRO A CD  1 
ATOM   16   N N   . THR A 1 3   ? -29.271 -24.433 -19.346 1.00 12.67 ? 206 THR A N   1 
ATOM   17   C CA  . THR A 1 3   ? -28.350 -23.885 -18.318 1.00 12.95 ? 206 THR A CA  1 
ATOM   18   C C   . THR A 1 3   ? -29.115 -23.063 -17.307 1.00 12.39 ? 206 THR A C   1 
ATOM   19   O O   . THR A 1 3   ? -30.340 -22.759 -17.476 1.00 12.06 ? 206 THR A O   1 
ATOM   20   C CB  . THR A 1 3   ? -27.258 -23.019 -18.927 1.00 13.11 ? 206 THR A CB  1 
ATOM   21   O OG1 . THR A 1 3   ? -27.846 -22.037 -19.763 1.00 15.93 ? 206 THR A OG1 1 
ATOM   22   C CG2 . THR A 1 3   ? -26.278 -23.806 -19.766 1.00 12.44 ? 206 THR A CG2 1 
ATOM   23   N N   . CYS A 1 4   ? -28.407 -22.762 -16.218 1.00 10.81 ? 207 CYS A N   1 
ATOM   24   C CA  . CYS A 1 4   ? -28.967 -21.979 -15.121 1.00 11.73 ? 207 CYS A CA  1 
ATOM   25   C C   . CYS A 1 4   ? -27.968 -20.975 -14.603 1.00 10.53 ? 207 CYS A C   1 
ATOM   26   O O   . CYS A 1 4   ? -26.758 -21.053 -14.923 1.00 12.17 ? 207 CYS A O   1 
ATOM   27   C CB  . CYS A 1 4   ? -29.403 -22.851 -13.968 1.00 13.44 ? 207 CYS A CB  1 
ATOM   28   S SG  . CYS A 1 4   ? -28.044 -23.690 -13.134 1.00 16.69 ? 207 CYS A SG  1 
ATOM   29   N N   . LYS A 1 5   ? -28.490 -19.990 -13.897 1.00 10.05 ? 208 LYS A N   1 
ATOM   30   C CA  . LYS A 1 5   ? -27.693 -18.913 -13.285 1.00 12.07 ? 208 LYS A CA  1 
ATOM   31   C C   . LYS A 1 5   ? -27.810 -19.074 -11.793 1.00 13.11 ? 208 LYS A C   1 
ATOM   32   O O   . LYS A 1 5   ? -28.957 -19.267 -11.292 1.00 14.74 ? 208 LYS A O   1 
ATOM   33   C CB  . LYS A 1 5   ? -28.222 -17.570 -13.776 1.00 13.31 ? 208 LYS A CB  1 
ATOM   34   C CG  . LYS A 1 5   ? -27.533 -16.370 -13.156 1.00 14.96 ? 208 LYS A CG  1 
ATOM   35   C CD  . LYS A 1 5   ? -28.170 -15.125 -13.704 1.00 15.68 ? 208 LYS A CD  1 
ATOM   36   C CE  . LYS A 1 5   ? -27.457 -13.906 -13.144 1.00 18.84 ? 208 LYS A CE  1 
ATOM   37   N NZ  . LYS A 1 5   ? -28.172 -12.645 -13.436 1.00 20.98 ? 208 LYS A NZ  1 
ATOM   38   N N   . ILE A 1 6   ? -26.711 -18.928 -11.079 1.00 12.31 ? 209 ILE A N   1 
ATOM   39   C CA  . ILE A 1 6   ? -26.717 -18.939 -9.614  1.00 14.34 ? 209 ILE A CA  1 
ATOM   40   C C   . ILE A 1 6   ? -26.010 -17.700 -9.104  1.00 13.99 ? 209 ILE A C   1 
ATOM   41   O O   . ILE A 1 6   ? -25.108 -17.171 -9.765  1.00 12.69 ? 209 ILE A O   1 
ATOM   42   C CB  . ILE A 1 6   ? -26.126 -20.240 -9.079  1.00 17.08 ? 209 ILE A CB  1 
ATOM   43   C CG1 . ILE A 1 6   ? -24.638 -20.329 -9.268  1.00 16.27 ? 209 ILE A CG1 1 
ATOM   44   C CG2 . ILE A 1 6   ? -26.837 -21.445 -9.664  1.00 17.00 ? 209 ILE A CG2 1 
ATOM   45   C CD1 . ILE A 1 6   ? -23.997 -21.331 -8.321  1.00 19.66 ? 209 ILE A CD1 1 
ATOM   46   N N   . THR A 1 7   ? -26.478 -17.215 -7.966  1.00 13.91 ? 210 THR A N   1 
ATOM   47   C CA  . THR A 1 7   ? -25.881 -16.049 -7.282  1.00 14.39 ? 210 THR A CA  1 
ATOM   48   C C   . THR A 1 7   ? -25.672 -16.423 -5.828  1.00 14.88 ? 210 THR A C   1 
ATOM   49   O O   . THR A 1 7   ? -26.667 -16.828 -5.168  1.00 15.68 ? 210 THR A O   1 
ATOM   50   C CB  . THR A 1 7   ? -26.743 -14.790 -7.370  1.00 18.02 ? 210 THR A CB  1 
ATOM   51   O OG1 . THR A 1 7   ? -26.959 -14.523 -8.754  1.00 21.02 ? 210 THR A OG1 1 
ATOM   52   C CG2 . THR A 1 7   ? -26.062 -13.601 -6.729  1.00 19.44 ? 210 THR A CG2 1 
ATOM   53   N N   . LEU A 1 8   ? -24.446 -16.285 -5.330  1.00 13.91 ? 211 LEU A N   1 
ATOM   54   C CA  . LEU A 1 8   ? -24.091 -16.603 -3.931  1.00 13.86 ? 211 LEU A CA  1 
ATOM   55   C C   . LEU A 1 8   ? -23.441 -15.379 -3.314  1.00 14.56 ? 211 LEU A C   1 
ATOM   56   O O   . LEU A 1 8   ? -22.680 -14.675 -4.007  1.00 14.01 ? 211 LEU A O   1 
ATOM   57   C CB  . LEU A 1 8   ? -23.149 -17.800 -3.858  1.00 16.05 ? 211 LEU A CB  1 
ATOM   58   C CG  . LEU A 1 8   ? -23.665 -19.098 -4.469  1.00 18.26 ? 211 LEU A CG  1 
ATOM   59   C CD1 . LEU A 1 8   ? -22.615 -20.200 -4.376  1.00 20.89 ? 211 LEU A CD1 1 
ATOM   60   C CD2 . LEU A 1 8   ? -24.951 -19.547 -3.787  1.00 22.43 ? 211 LEU A CD2 1 
ATOM   61   N N   . LYS A 1 9   ? -23.689 -15.139 -2.041  1.00 14.24 ? 212 LYS A N   1 
ATOM   62   C CA  . LYS A 1 9   ? -23.032 -14.036 -1.338  1.00 16.58 ? 212 LYS A CA  1 
ATOM   63   C C   . LYS A 1 9   ? -22.552 -14.619 -0.020  1.00 15.13 ? 212 LYS A C   1 
ATOM   64   O O   . LYS A 1 9   ? -23.336 -15.337 0.656   1.00 18.13 ? 212 LYS A O   1 
ATOM   65   C CB  . LYS A 1 9   ? -23.963 -12.851 -1.140  1.00 19.85 ? 212 LYS A CB  1 
ATOM   66   C CG  . LYS A 1 9   ? -24.367 -12.110 -2.399  1.00 28.34 ? 212 LYS A CG  1 
ATOM   67   C CD  . LYS A 1 9   ? -25.469 -11.076 -2.167  1.00 35.95 ? 212 LYS A CD  1 
ATOM   68   C CE  . LYS A 1 9   ? -25.237 -9.773  -2.910  1.00 40.20 ? 212 LYS A CE  1 
ATOM   69   N NZ  . LYS A 1 9   ? -25.501 -9.904  -4.364  1.00 43.75 ? 212 LYS A NZ  1 
ATOM   70   N N   . GLU A 1 10  ? -21.310 -14.317 0.319   1.00 13.94 ? 213 GLU A N   1 
ATOM   71   C CA  . GLU A 1 10  ? -20.634 -14.853 1.526   1.00 15.74 ? 213 GLU A CA  1 
ATOM   72   C C   . GLU A 1 10  ? -19.778 -13.713 2.104   1.00 16.07 ? 213 GLU A C   1 
ATOM   73   O O   . GLU A 1 10  ? -19.066 -13.037 1.339   1.00 14.55 ? 213 GLU A O   1 
ATOM   74   C CB  . GLU A 1 10  ? -19.799 -16.065 1.091   1.00 18.25 ? 213 GLU A CB  1 
ATOM   75   C CG  . GLU A 1 10  ? -19.186 -16.917 2.208   1.00 19.39 ? 213 GLU A CG  1 
ATOM   76   C CD  . GLU A 1 10  ? -20.121 -17.923 2.867   1.00 21.48 ? 213 GLU A CD  1 
ATOM   77   O OE1 . GLU A 1 10  ? -21.286 -18.080 2.400   1.00 23.68 ? 213 GLU A OE1 1 
ATOM   78   O OE2 . GLU A 1 10  ? -19.699 -18.548 3.861   1.00 22.59 ? 213 GLU A OE2 1 
ATOM   79   N N   . THR A 1 11  ? -19.737 -13.566 3.423   1.00 14.45 ? 214 THR A N   1 
ATOM   80   C CA  . THR A 1 11  ? -18.883 -12.586 4.108   1.00 13.54 ? 214 THR A CA  1 
ATOM   81   C C   . THR A 1 11  ? -17.733 -13.339 4.796   1.00 11.43 ? 214 THR A C   1 
ATOM   82   O O   . THR A 1 11  ? -17.953 -14.393 5.387   1.00 12.85 ? 214 THR A O   1 
ATOM   83   C CB  . THR A 1 11  ? -19.668 -11.689 5.063   1.00 16.64 ? 214 THR A CB  1 
ATOM   84   O OG1 . THR A 1 11  ? -20.721 -11.035 4.338   1.00 20.90 ? 214 THR A OG1 1 
ATOM   85   C CG2 . THR A 1 11  ? -18.769 -10.673 5.732   1.00 16.26 ? 214 THR A CG2 1 
ATOM   86   N N   . PHE A 1 12  ? -16.528 -12.821 4.611   1.00 11.27 ? 215 PHE A N   1 
ATOM   87   C CA  . PHE A 1 12  ? -15.260 -13.348 5.140   1.00 10.79 ? 215 PHE A CA  1 
ATOM   88   C C   . PHE A 1 12  ? -14.623 -12.333 6.081   1.00 11.25 ? 215 PHE A C   1 
ATOM   89   O O   . PHE A 1 12  ? -14.577 -11.145 5.742   1.00 11.02 ? 215 PHE A O   1 
ATOM   90   C CB  . PHE A 1 12  ? -14.295 -13.659 3.992   1.00 10.03 ? 215 PHE A CB  1 
ATOM   91   C CG  . PHE A 1 12  ? -14.784 -14.722 3.048   1.00 10.08 ? 215 PHE A CG  1 
ATOM   92   C CD1 . PHE A 1 12  ? -15.698 -14.422 2.052   1.00 10.56 ? 215 PHE A CD1 1 
ATOM   93   C CD2 . PHE A 1 12  ? -14.299 -16.000 3.129   1.00 9.54  ? 215 PHE A CD2 1 
ATOM   94   C CE1 . PHE A 1 12  ? -16.113 -15.418 1.181   1.00 10.59 ? 215 PHE A CE1 1 
ATOM   95   C CE2 . PHE A 1 12  ? -14.726 -16.983 2.262   1.00 10.43 ? 215 PHE A CE2 1 
ATOM   96   C CZ  . PHE A 1 12  ? -15.591 -16.657 1.251   1.00 11.22 ? 215 PHE A CZ  1 
ATOM   97   N N   . LEU A 1 13  ? -14.030 -12.838 7.154   1.00 10.59 ? 216 LEU A N   1 
ATOM   98   C CA  . LEU A 1 13  ? -13.274 -11.977 8.085   1.00 12.09 ? 216 LEU A CA  1 
ATOM   99   C C   . LEU A 1 13  ? -11.847 -11.856 7.577   1.00 12.33 ? 216 LEU A C   1 
ATOM   100  O O   . LEU A 1 13  ? -10.875 -12.285 8.220   1.00 13.74 ? 216 LEU A O   1 
ATOM   101  C CB  . LEU A 1 13  ? -13.358 -12.551 9.497   1.00 12.43 ? 216 LEU A CB  1 
ATOM   102  C CG  . LEU A 1 13  ? -14.755 -12.653 10.067  1.00 13.66 ? 216 LEU A CG  1 
ATOM   103  C CD1 . LEU A 1 13  ? -14.675 -13.127 11.518  1.00 15.17 ? 216 LEU A CD1 1 
ATOM   104  C CD2 . LEU A 1 13  ? -15.515 -11.347 9.961   1.00 15.21 ? 216 LEU A CD2 1 
ATOM   105  N N   . THR A 1 14  ? -11.692 -11.256 6.415   1.00 12.55 ? 217 THR A N   1 
ATOM   106  C CA  . THR A 1 14  ? -10.388 -10.884 5.878   1.00 14.01 ? 217 THR A CA  1 
ATOM   107  C C   . THR A 1 14  ? -10.617 -9.725  4.924   1.00 14.09 ? 217 THR A C   1 
ATOM   108  O O   . THR A 1 14  ? -11.774 -9.346  4.640   1.00 13.29 ? 217 THR A O   1 
ATOM   109  C CB  . THR A 1 14  ? -9.702  -12.053 5.179   1.00 13.63 ? 217 THR A CB  1 
ATOM   110  O OG1 . THR A 1 14  ? -8.319  -11.723 5.080   1.00 14.85 ? 217 THR A OG1 1 
ATOM   111  C CG2 . THR A 1 14  ? -10.305 -12.370 3.832   1.00 14.54 ? 217 THR A CG2 1 
ATOM   112  N N   . SER A 1 15  ? -9.545  -9.136  4.494   1.00 12.79 ? 218 SER A N   1 
ATOM   113  C CA  . SER A 1 15  ? -9.599  -7.985  3.568   1.00 12.97 ? 218 SER A CA  1 
ATOM   114  C C   . SER A 1 15  ? -9.762  -8.456  2.133   1.00 13.78 ? 218 SER A C   1 
ATOM   115  O O   . SER A 1 15  ? -9.477  -9.615  1.801   1.00 12.87 ? 218 SER A O   1 
ATOM   116  C CB  . SER A 1 15  ? -8.327  -7.182  3.634   1.00 14.15 ? 218 SER A CB  1 
ATOM   117  O OG  . SER A 1 15  ? -7.230  -7.915  3.122   1.00 16.26 ? 218 SER A OG  1 
ATOM   118  N N   . PRO A 1 16  ? -10.277 -7.602  1.243   1.00 12.93 ? 219 PRO A N   1 
ATOM   119  C CA  . PRO A 1 16  ? -10.412 -7.998  -0.151  1.00 13.12 ? 219 PRO A CA  1 
ATOM   120  C C   . PRO A 1 16  ? -9.055  -8.405  -0.715  1.00 12.95 ? 219 PRO A C   1 
ATOM   121  O O   . PRO A 1 16  ? -8.994  -9.331  -1.510  1.00 12.47 ? 219 PRO A O   1 
ATOM   122  C CB  . PRO A 1 16  ? -10.972 -6.737  -0.800  1.00 14.36 ? 219 PRO A CB  1 
ATOM   123  C CG  . PRO A 1 16  ? -11.805 -6.118  0.285   1.00 16.24 ? 219 PRO A CG  1 
ATOM   124  C CD  . PRO A 1 16  ? -10.982 -6.332  1.522   1.00 14.85 ? 219 PRO A CD  1 
ATOM   125  N N   . GLU A 1 17  ? -7.989  -7.722  -0.345  1.00 13.18 ? 220 GLU A N   1 
ATOM   126  C CA  . GLU A 1 17  ? -6.610  -8.078  -0.812  1.00 14.39 ? 220 GLU A CA  1 
ATOM   127  C C   . GLU A 1 17  ? -6.309  -9.543  -0.503  1.00 13.65 ? 220 GLU A C   1 
ATOM   128  O O   . GLU A 1 17  ? -5.890  -10.309 -1.399  1.00 14.53 ? 220 GLU A O   1 
ATOM   129  C CB  . GLU A 1 17  ? -5.503  -7.216  -0.181  1.00 19.65 ? 220 GLU A CB  1 
ATOM   130  C CG  . GLU A 1 17  ? -4.146  -7.513  -0.757  1.00 24.45 ? 220 GLU A CG  1 
ATOM   131  C CD  . GLU A 1 17  ? -2.944  -6.928  -0.031  1.00 31.47 ? 220 GLU A CD  1 
ATOM   132  O OE1 . GLU A 1 17  ? -3.097  -5.867  0.634   1.00 34.70 ? 220 GLU A OE1 1 
ATOM   133  O OE2 . GLU A 1 17  ? -1.865  -7.552  -0.138  1.00 33.44 ? 220 GLU A OE2 1 
ATOM   134  N N   . GLU A 1 18  ? -6.517  -9.944  0.738   1.00 11.97 ? 221 GLU A N   1 
ATOM   135  C CA  . GLU A 1 18  ? -6.149  -11.301 1.182   1.00 13.32 ? 221 GLU A CA  1 
ATOM   136  C C   . GLU A 1 18  ? -7.070  -12.284 0.483   1.00 12.22 ? 221 GLU A C   1 
ATOM   137  O O   . GLU A 1 18  ? -6.584  -13.345 0.019   1.00 12.03 ? 221 GLU A O   1 
ATOM   138  C CB  . GLU A 1 18  ? -6.229  -11.440 2.680   1.00 14.88 ? 221 GLU A CB  1 
ATOM   139  C CG  . GLU A 1 18  ? -5.192  -10.622 3.392   1.00 19.04 ? 221 GLU A CG  1 
ATOM   140  C CD  . GLU A 1 18  ? -5.524  -10.323 4.829   1.00 26.28 ? 221 GLU A CD  1 
ATOM   141  O OE1 . GLU A 1 18  ? -6.303  -9.325  5.087   1.00 24.66 ? 221 GLU A OE1 1 
ATOM   142  O OE2 . GLU A 1 18  ? -4.999  -11.084 5.676   1.00 30.30 ? 221 GLU A OE2 1 
ATOM   143  N N   . LEU A 1 19  ? -8.357  -11.993 0.402   1.00 10.42 ? 222 LEU A N   1 
ATOM   144  C CA  . LEU A 1 19  ? -9.269  -12.990 -0.208  1.00 10.51 ? 222 LEU A CA  1 
ATOM   145  C C   . LEU A 1 19  ? -8.947  -13.160 -1.685  1.00 9.58  ? 222 LEU A C   1 
ATOM   146  O O   . LEU A 1 19  ? -8.950  -14.281 -2.222  1.00 9.53  ? 222 LEU A O   1 
ATOM   147  C CB  . LEU A 1 19  ? -10.724 -12.602 0.036   1.00 10.66 ? 222 LEU A CB  1 
ATOM   148  C CG  . LEU A 1 19  ? -11.702 -13.719 -0.258  1.00 10.68 ? 222 LEU A CG  1 
ATOM   149  C CD1 . LEU A 1 19  ? -11.428 -14.904 0.641   1.00 10.80 ? 222 LEU A CD1 1 
ATOM   150  C CD2 . LEU A 1 19  ? -13.119 -13.218 -0.100  1.00 10.73 ? 222 LEU A CD2 1 
ATOM   151  N N   . TYR A 1 20  ? -8.699  -12.053 -2.365  1.00 10.83 ? 223 TYR A N   1 
ATOM   152  C CA  . TYR A 1 20  ? -8.342  -12.096 -3.793  1.00 10.05 ? 223 TYR A CA  1 
ATOM   153  C C   . TYR A 1 20  ? -7.062  -12.906 -3.978  1.00 10.02 ? 223 TYR A C   1 
ATOM   154  O O   . TYR A 1 20  ? -6.995  -13.719 -4.896  1.00 10.12 ? 223 TYR A O   1 
ATOM   155  C CB  . TYR A 1 20  ? -8.155  -10.676 -4.309  1.00 11.35 ? 223 TYR A CB  1 
ATOM   156  C CG  . TYR A 1 20  ? -7.782  -10.609 -5.752  1.00 12.91 ? 223 TYR A CG  1 
ATOM   157  C CD1 . TYR A 1 20  ? -6.456  -10.680 -6.125  1.00 14.27 ? 223 TYR A CD1 1 
ATOM   158  C CD2 . TYR A 1 20  ? -8.766  -10.499 -6.726  1.00 13.22 ? 223 TYR A CD2 1 
ATOM   159  C CE1 . TYR A 1 20  ? -6.091  -10.568 -7.466  1.00 15.83 ? 223 TYR A CE1 1 
ATOM   160  C CE2 . TYR A 1 20  ? -8.410  -10.380 -8.058  1.00 14.98 ? 223 TYR A CE2 1 
ATOM   161  C CZ  . TYR A 1 20  ? -7.085  -10.478 -8.424  1.00 16.34 ? 223 TYR A CZ  1 
ATOM   162  O OH  . TYR A 1 20  ? -6.794  -10.346 -9.781  1.00 18.84 ? 223 TYR A OH  1 
ATOM   163  N N   . ARG A 1 21  ? -6.086  -12.739 -3.103  1.00 10.44 ? 224 ARG A N   1 
ATOM   164  C CA  . ARG A 1 21  ? -4.837  -13.530 -3.158  1.00 12.78 ? 224 ARG A CA  1 
ATOM   165  C C   . ARG A 1 21  ? -5.165  -15.010 -3.033  1.00 11.68 ? 224 ARG A C   1 
ATOM   166  O O   . ARG A 1 21  ? -4.599  -15.868 -3.779  1.00 11.94 ? 224 ARG A O   1 
ATOM   167  C CB  . ARG A 1 21  ? -3.898  -13.058 -2.052  1.00 15.71 ? 224 ARG A CB  1 
ATOM   168  C CG  . ARG A 1 21  ? -2.582  -13.791 -2.001  1.00 22.24 ? 224 ARG A CG  1 
ATOM   169  C CD  . ARG A 1 21  ? -1.708  -13.194 -0.932  1.00 27.08 ? 224 ARG A CD  1 
ATOM   170  N NE  . ARG A 1 21  ? -0.924  -12.125 -1.503  1.00 32.92 ? 224 ARG A NE  1 
ATOM   171  C CZ  . ARG A 1 21  ? -1.106  -10.833 -1.278  1.00 30.02 ? 224 ARG A CZ  1 
ATOM   172  N NH1 . ARG A 1 21  ? -2.046  -10.425 -0.450  1.00 36.20 ? 224 ARG A NH1 1 
ATOM   173  N NH2 . ARG A 1 21  ? -0.290  -9.961  -1.841  1.00 40.25 ? 224 ARG A NH2 1 
ATOM   174  N N   . VAL A 1 22  ? -6.032  -15.389 -2.086  1.00 10.78 ? 225 VAL A N   1 
ATOM   175  C CA  . VAL A 1 22  ? -6.358  -16.814 -1.909  1.00 11.25 ? 225 VAL A CA  1 
ATOM   176  C C   . VAL A 1 22  ? -6.898  -17.407 -3.227  1.00 10.53 ? 225 VAL A C   1 
ATOM   177  O O   . VAL A 1 22  ? -6.554  -18.540 -3.565  1.00 12.36 ? 225 VAL A O   1 
ATOM   178  C CB  . VAL A 1 22  ? -7.339  -16.965 -0.743  1.00 12.47 ? 225 VAL A CB  1 
ATOM   179  C CG1 . VAL A 1 22  ? -7.978  -18.312 -0.796  1.00 13.40 ? 225 VAL A CG1 1 
ATOM   180  C CG2 . VAL A 1 22  ? -6.628  -16.711 0.592   1.00 12.89 ? 225 VAL A CG2 1 
ATOM   181  N N   . PHE A 1 23  ? -7.772  -16.688 -3.933  1.00 11.11 ? 226 PHE A N   1 
ATOM   182  C CA  . PHE A 1 23  ? -8.399  -17.185 -5.185  1.00 11.03 ? 226 PHE A CA  1 
ATOM   183  C C   . PHE A 1 23  ? -7.374  -17.228 -6.303  1.00 11.85 ? 226 PHE A C   1 
ATOM   184  O O   . PHE A 1 23  ? -7.642  -17.971 -7.260  1.00 14.04 ? 226 PHE A O   1 
ATOM   185  C CB  . PHE A 1 23  ? -9.624  -16.353 -5.581  1.00 11.25 ? 226 PHE A CB  1 
ATOM   186  C CG  . PHE A 1 23  ? -10.889 -16.745 -4.861  1.00 10.38 ? 226 PHE A CG  1 
ATOM   187  C CD1 . PHE A 1 23  ? -11.678 -17.803 -5.314  1.00 10.76 ? 226 PHE A CD1 1 
ATOM   188  C CD2 . PHE A 1 23  ? -11.323 -16.059 -3.754  1.00 10.39 ? 226 PHE A CD2 1 
ATOM   189  C CE1 . PHE A 1 23  ? -12.840 -18.117 -4.648  1.00 9.88  ? 226 PHE A CE1 1 
ATOM   190  C CE2 . PHE A 1 23  ? -12.500 -16.385 -3.098  1.00 10.79 ? 226 PHE A CE2 1 
ATOM   191  C CZ  . PHE A 1 23  ? -13.238 -17.436 -3.550  1.00 10.05 ? 226 PHE A CZ  1 
ATOM   192  N N   . THR A 1 24  ? -6.281  -16.456 -6.231  1.00 10.91 ? 227 THR A N   1 
ATOM   193  C CA  . THR A 1 24  ? -5.407  -16.273 -7.407  1.00 10.71 ? 227 THR A CA  1 
ATOM   194  C C   . THR A 1 24  ? -3.964  -16.655 -7.133  1.00 11.49 ? 227 THR A C   1 
ATOM   195  O O   . THR A 1 24  ? -3.100  -16.279 -7.909  1.00 12.29 ? 227 THR A O   1 
ATOM   196  C CB  . THR A 1 24  ? -5.473  -14.831 -7.890  1.00 11.99 ? 227 THR A CB  1 
ATOM   197  O OG1 . THR A 1 24  ? -4.995  -13.976 -6.845  1.00 12.44 ? 227 THR A OG1 1 
ATOM   198  C CG2 . THR A 1 24  ? -6.889  -14.486 -8.307  1.00 13.14 ? 227 THR A CG2 1 
ATOM   199  N N   . THR A 1 25  ? -3.736  -17.505 -6.134  1.00 10.09 ? 228 THR A N   1 
ATOM   200  C CA  . THR A 1 25  ? -2.371  -17.977 -5.802  1.00 10.38 ? 228 THR A CA  1 
ATOM   201  C C   . THR A 1 25  ? -2.403  -19.508 -5.806  1.00 10.08 ? 228 THR A C   1 
ATOM   202  O O   . THR A 1 25  ? -3.107  -20.100 -4.988  1.00 9.70  ? 228 THR A O   1 
ATOM   203  C CB  . THR A 1 25  ? -1.863  -17.414 -4.461  1.00 10.52 ? 228 THR A CB  1 
ATOM   204  O OG1 . THR A 1 25  ? -1.959  -15.973 -4.458  1.00 11.28 ? 228 THR A OG1 1 
ATOM   205  C CG2 . THR A 1 25  ? -0.446  -17.804 -4.128  1.00 11.48 ? 228 THR A CG2 1 
ATOM   206  N N   . GLN A 1 26  ? -1.669  -20.159 -6.694  1.00 10.33 ? 229 GLN A N   1 
ATOM   207  C CA  . GLN A 1 26  ? -1.705  -21.615 -6.868  1.00 11.92 ? 229 GLN A CA  1 
ATOM   208  C C   . GLN A 1 26  ? -1.514  -22.344 -5.538  1.00 10.50 ? 229 GLN A C   1 
ATOM   209  O O   . GLN A 1 26  ? -2.228  -23.268 -5.255  1.00 12.48 ? 229 GLN A O   1 
ATOM   210  C CB  . GLN A 1 26  ? -0.604  -21.923 -7.886  1.00 14.99 ? 229 GLN A CB  1 
ATOM   211  C CG  . GLN A 1 26  ? -0.387  -23.384 -8.128  1.00 14.97 ? 229 GLN A CG  1 
ATOM   212  C CD  . GLN A 1 26  ? 0.585   -23.516 -9.273  1.00 17.42 ? 229 GLN A CD  1 
ATOM   213  O OE1 . GLN A 1 26  ? 0.317   -23.075 -10.375 1.00 14.40 ? 229 GLN A OE1 1 
ATOM   214  N NE2 . GLN A 1 26  ? 1.774   -24.018 -8.997  1.00 18.57 ? 229 GLN A NE2 1 
ATOM   215  N N   . GLU A 1 27  ? -0.578  -21.880 -4.717  1.00 10.31 ? 230 GLU A N   1 
ATOM   216  C CA  . GLU A 1 27  ? -0.186  -22.585 -3.485  1.00 10.58 ? 230 GLU A CA  1 
ATOM   217  C C   . GLU A 1 27  ? -1.263  -22.393 -2.424  1.00 10.51 ? 230 GLU A C   1 
ATOM   218  O O   . GLU A 1 27  ? -1.418  -23.274 -1.574  1.00 12.24 ? 230 GLU A O   1 
ATOM   219  C CB  . GLU A 1 27  ? 1.163   -22.111 -2.960  1.00 11.75 ? 230 GLU A CB  1 
ATOM   220  C CG  . GLU A 1 27  ? 2.266   -22.423 -3.953  1.00 12.87 ? 230 GLU A CG  1 
ATOM   221  C CD  . GLU A 1 27  ? 2.425   -21.462 -5.131  1.00 15.15 ? 230 GLU A CD  1 
ATOM   222  O OE1 . GLU A 1 27  ? 1.813   -20.343 -5.152  1.00 16.08 ? 230 GLU A OE1 1 
ATOM   223  O OE2 . GLU A 1 27  ? 3.164   -21.859 -6.065  1.00 17.43 ? 230 GLU A OE2 1 
ATOM   224  N N   . LEU A 1 28  ? -1.996  -21.290 -2.473  1.00 9.37  ? 231 LEU A N   1 
ATOM   225  C CA  . LEU A 1 28  ? -3.120  -21.102 -1.526  1.00 9.52  ? 231 LEU A CA  1 
ATOM   226  C C   . LEU A 1 28  ? -4.304  -21.964 -1.964  1.00 9.22  ? 231 LEU A C   1 
ATOM   227  O O   . LEU A 1 28  ? -4.959  -22.540 -1.108  1.00 9.95  ? 231 LEU A O   1 
ATOM   228  C CB  . LEU A 1 28  ? -3.463  -19.617 -1.434  1.00 9.99  ? 231 LEU A CB  1 
ATOM   229  C CG  . LEU A 1 28  ? -2.305  -18.733 -0.963  1.00 9.80  ? 231 LEU A CG  1 
ATOM   230  C CD1 . LEU A 1 28  ? -2.753  -17.264 -0.875  1.00 10.15 ? 231 LEU A CD1 1 
ATOM   231  C CD2 . LEU A 1 28  ? -1.724  -19.148 0.388   1.00 11.21 ? 231 LEU A CD2 1 
ATOM   232  N N   . VAL A 1 29  ? -4.571  -22.045 -3.254  1.00 8.91  ? 232 VAL A N   1 
ATOM   233  C CA  . VAL A 1 29  ? -5.647  -22.894 -3.793  1.00 9.47  ? 232 VAL A CA  1 
ATOM   234  C C   . VAL A 1 29  ? -5.320  -24.359 -3.428  1.00 9.66  ? 232 VAL A C   1 
ATOM   235  O O   . VAL A 1 29  ? -6.220  -25.115 -3.051  1.00 10.57 ? 232 VAL A O   1 
ATOM   236  C CB  . VAL A 1 29  ? -5.856  -22.665 -5.288  1.00 10.49 ? 232 VAL A CB  1 
ATOM   237  C CG1 . VAL A 1 29  ? -6.767  -23.711 -5.867  1.00 10.79 ? 232 VAL A CG1 1 
ATOM   238  C CG2 . VAL A 1 29  ? -6.405  -21.275 -5.564  1.00 10.27 ? 232 VAL A CG2 1 
ATOM   239  N N   . GLN A 1 30  ? -4.078  -24.775 -3.630  1.00 11.28 ? 233 GLN A N   1 
ATOM   240  C CA  . GLN A 1 30  ? -3.649  -26.142 -3.259  1.00 13.78 ? 233 GLN A CA  1 
ATOM   241  C C   . GLN A 1 30  ? -3.999  -26.376 -1.801  1.00 12.99 ? 233 GLN A C   1 
ATOM   242  O O   . GLN A 1 30  ? -4.456  -27.463 -1.430  1.00 13.48 ? 233 GLN A O   1 
ATOM   243  C CB  . GLN A 1 30  ? -2.157  -26.281 -3.453  1.00 16.13 ? 233 GLN A CB  1 
ATOM   244  C CG  . GLN A 1 30  ? -1.813  -26.371 -4.897  1.00 21.52 ? 233 GLN A CG  1 
ATOM   245  C CD  . GLN A 1 30  ? -0.383  -26.793 -5.103  1.00 26.13 ? 233 GLN A CD  1 
ATOM   246  O OE1 . GLN A 1 30  ? -0.065  -27.335 -6.158  1.00 27.19 ? 233 GLN A OE1 1 
ATOM   247  N NE2 . GLN A 1 30  ? 0.466   -26.489 -4.124  1.00 27.81 ? 233 GLN A NE2 1 
ATOM   248  N N   . ALA A 1 31  ? -3.762  -25.392 -0.930  1.00 11.04 ? 234 ALA A N   1 
ATOM   249  C CA  . ALA A 1 31  ? -3.994  -25.603 0.511   1.00 11.43 ? 234 ALA A CA  1 
ATOM   250  C C   . ALA A 1 31  ? -5.481  -25.824 0.802   1.00 12.15 ? 234 ALA A C   1 
ATOM   251  O O   . ALA A 1 31  ? -5.841  -26.780 1.492   1.00 14.13 ? 234 ALA A O   1 
ATOM   252  C CB  . ALA A 1 31  ? -3.462  -24.456 1.318   1.00 11.47 ? 234 ALA A CB  1 
ATOM   253  N N   . PHE A 1 32  ? -6.376  -25.007 0.294   1.00 9.97  ? 235 PHE A N   1 
ATOM   254  C CA  . PHE A 1 32  ? -7.798  -25.102 0.693   1.00 10.74 ? 235 PHE A CA  1 
ATOM   255  C C   . PHE A 1 32  ? -8.547  -26.189 -0.077  1.00 11.04 ? 235 PHE A C   1 
ATOM   256  O O   . PHE A 1 32  ? -9.579  -26.606 0.424   1.00 14.10 ? 235 PHE A O   1 
ATOM   257  C CB  . PHE A 1 32  ? -8.525  -23.758 0.702   1.00 11.48 ? 235 PHE A CB  1 
ATOM   258  C CG  . PHE A 1 32  ? -8.938  -23.165 -0.626  1.00 10.65 ? 235 PHE A CG  1 
ATOM   259  C CD1 . PHE A 1 32  ? -10.066 -23.600 -1.289  1.00 10.30 ? 235 PHE A CD1 1 
ATOM   260  C CD2 . PHE A 1 32  ? -8.230  -22.105 -1.183  1.00 10.18 ? 235 PHE A CD2 1 
ATOM   261  C CE1 . PHE A 1 32  ? -10.466 -23.022 -2.491  1.00 11.00 ? 235 PHE A CE1 1 
ATOM   262  C CE2 . PHE A 1 32  ? -8.645  -21.498 -2.370  1.00 10.92 ? 235 PHE A CE2 1 
ATOM   263  C CZ  . PHE A 1 32  ? -9.729  -21.999 -3.041  1.00 10.72 ? 235 PHE A CZ  1 
ATOM   264  N N   . THR A 1 33  ? -8.057  -26.605 -1.236  1.00 10.82 ? 236 THR A N   1 
ATOM   265  C CA  . THR A 1 33  ? -8.675  -27.716 -2.008  1.00 11.46 ? 236 THR A CA  1 
ATOM   266  C C   . THR A 1 33  ? -8.029  -29.065 -1.651  1.00 13.38 ? 236 THR A C   1 
ATOM   267  O O   . THR A 1 33  ? -8.552  -30.087 -2.138  1.00 14.93 ? 236 THR A O   1 
ATOM   268  C CB  . THR A 1 33  ? -8.554  -27.438 -3.500  1.00 11.51 ? 236 THR A CB  1 
ATOM   269  O OG1 . THR A 1 33  ? -7.198  -27.428 -3.927  1.00 11.92 ? 236 THR A OG1 1 
ATOM   270  C CG2 . THR A 1 33  ? -9.216  -26.124 -3.880  1.00 12.71 ? 236 THR A CG2 1 
ATOM   271  N N   . HIS A 1 34  ? -6.935  -29.071 -0.904  1.00 12.30 ? 237 HIS A N   1 
ATOM   272  C CA  . HIS A 1 34  ? -6.261  -30.321 -0.450  1.00 14.54 ? 237 HIS A CA  1 
ATOM   273  C C   . HIS A 1 34  ? -5.809  -31.138 -1.664  1.00 16.08 ? 237 HIS A C   1 
ATOM   274  O O   . HIS A 1 34  ? -5.842  -32.354 -1.619  1.00 17.90 ? 237 HIS A O   1 
ATOM   275  C CB  . HIS A 1 34  ? -7.195  -31.114 0.467   1.00 14.09 ? 237 HIS A CB  1 
ATOM   276  C CG  . HIS A 1 34  ? -7.752  -30.263 1.549   1.00 16.94 ? 237 HIS A CG  1 
ATOM   277  N ND1 . HIS A 1 34  ? -7.034  -29.922 2.658   1.00 22.67 ? 237 HIS A ND1 1 
ATOM   278  C CD2 . HIS A 1 34  ? -8.942  -29.644 1.659   1.00 17.39 ? 237 HIS A CD2 1 
ATOM   279  C CE1 . HIS A 1 34  ? -7.761  -29.113 3.412   1.00 19.85 ? 237 HIS A CE1 1 
ATOM   280  N NE2 . HIS A 1 34  ? -8.927  -28.942 2.847   1.00 22.43 ? 237 HIS A NE2 1 
ATOM   281  N N   . ALA A 1 35  ? -5.349  -30.494 -2.723  1.00 15.16 ? 238 ALA A N   1 
ATOM   282  C CA  . ALA A 1 35  ? -4.911  -31.195 -3.943  1.00 16.48 ? 238 ALA A CA  1 
ATOM   283  C C   . ALA A 1 35  ? -4.000  -30.286 -4.733  1.00 16.38 ? 238 ALA A C   1 
ATOM   284  O O   . ALA A 1 35  ? -4.074  -29.035 -4.640  1.00 14.46 ? 238 ALA A O   1 
ATOM   285  C CB  . ALA A 1 35  ? -6.113  -31.563 -4.748  1.00 17.33 ? 238 ALA A CB  1 
ATOM   286  N N   . PRO A 1 36  ? -3.093  -30.866 -5.533  1.00 16.16 ? 239 PRO A N   1 
ATOM   287  C CA  . PRO A 1 36  ? -2.259  -30.062 -6.402  1.00 15.41 ? 239 PRO A CA  1 
ATOM   288  C C   . PRO A 1 36  ? -3.149  -29.200 -7.310  1.00 13.98 ? 239 PRO A C   1 
ATOM   289  O O   . PRO A 1 36  ? -4.247  -29.549 -7.666  1.00 15.35 ? 239 PRO A O   1 
ATOM   290  C CB  . PRO A 1 36  ? -1.469  -31.104 -7.195  1.00 17.99 ? 239 PRO A CB  1 
ATOM   291  C CG  . PRO A 1 36  ? -1.400  -32.281 -6.229  1.00 18.45 ? 239 PRO A CG  1 
ATOM   292  C CD  . PRO A 1 36  ? -2.780  -32.313 -5.620  1.00 18.63 ? 239 PRO A CD  1 
ATOM   293  N N   . ALA A 1 37  ? -2.645  -28.026 -7.587  1.00 14.35 ? 240 ALA A N   1 
ATOM   294  C CA  . ALA A 1 37  ? -3.338  -27.082 -8.479  1.00 15.11 ? 240 ALA A CA  1 
ATOM   295  C C   . ALA A 1 37  ? -2.300  -26.432 -9.366  1.00 15.69 ? 240 ALA A C   1 
ATOM   296  O O   . ALA A 1 37  ? -1.170  -26.228 -8.942  1.00 16.99 ? 240 ALA A O   1 
ATOM   297  C CB  . ALA A 1 37  ? -4.101  -26.098 -7.637  1.00 15.42 ? 240 ALA A CB  1 
ATOM   298  N N   . THR A 1 38  ? -2.724  -26.069 -10.559 1.00 14.35 ? 241 THR A N   1 
ATOM   299  C CA  . THR A 1 38  ? -1.944  -25.187 -11.441 1.00 14.75 ? 241 THR A CA  1 
ATOM   300  C C   . THR A 1 38  ? -2.818  -23.972 -11.698 1.00 12.90 ? 241 THR A C   1 
ATOM   301  O O   . THR A 1 38  ? -4.021  -24.152 -11.948 1.00 13.71 ? 241 THR A O   1 
ATOM   302  C CB  . THR A 1 38  ? -1.478  -25.879 -12.719 1.00 19.20 ? 241 THR A CB  1 
ATOM   303  O OG1 . THR A 1 38  ? -2.574  -26.403 -13.429 1.00 24.46 ? 241 THR A OG1 1 
ATOM   304  C CG2 . THR A 1 38  ? -0.527  -27.019 -12.422 1.00 21.95 ? 241 THR A CG2 1 
ATOM   305  N N   . LEU A 1 39  ? -2.265  -22.798 -11.526 1.00 12.11 ? 242 LEU A N   1 
ATOM   306  C CA  . LEU A 1 39  ? -3.046  -21.548 -11.637 1.00 13.10 ? 242 LEU A CA  1 
ATOM   307  C C   . LEU A 1 39  ? -2.173  -20.434 -12.188 1.00 12.78 ? 242 LEU A C   1 
ATOM   308  O O   . LEU A 1 39  ? -1.175  -20.059 -11.539 1.00 13.00 ? 242 LEU A O   1 
ATOM   309  C CB  . LEU A 1 39  ? -3.602  -21.200 -10.266 1.00 13.33 ? 242 LEU A CB  1 
ATOM   310  C CG  . LEU A 1 39  ? -4.644  -20.115 -10.199 1.00 14.40 ? 242 LEU A CG  1 
ATOM   311  C CD1 . LEU A 1 39  ? -5.502  -20.257 -8.958  1.00 14.48 ? 242 LEU A CD1 1 
ATOM   312  C CD2 . LEU A 1 39  ? -3.973  -18.745 -10.227 1.00 14.51 ? 242 LEU A CD2 1 
ATOM   313  N N   . GLU A 1 40  ? -2.513  -19.962 -13.368 1.00 11.47 ? 243 GLU A N   1 
ATOM   314  C CA  . GLU A 1 40  ? -1.767  -18.889 -14.068 1.00 11.36 ? 243 GLU A CA  1 
ATOM   315  C C   . GLU A 1 40  ? -2.603  -17.637 -13.814 1.00 10.47 ? 243 GLU A C   1 
ATOM   316  O O   . GLU A 1 40  ? -3.634  -17.474 -14.493 1.00 10.88 ? 243 GLU A O   1 
ATOM   317  C CB  . GLU A 1 40  ? -1.633  -19.216 -15.551 1.00 13.05 ? 243 GLU A CB  1 
ATOM   318  C CG  . GLU A 1 40  ? -0.980  -20.559 -15.799 1.00 15.74 ? 243 GLU A CG  1 
ATOM   319  C CD  . GLU A 1 40  ? -0.962  -20.946 -17.264 1.00 16.94 ? 243 GLU A CD  1 
ATOM   320  O OE1 . GLU A 1 40  ? -1.846  -20.522 -18.012 1.00 16.48 ? 243 GLU A OE1 1 
ATOM   321  O OE2 . GLU A 1 40  ? 0.022   -21.628 -17.673 1.00 22.71 ? 243 GLU A OE2 1 
ATOM   322  N N   . ALA A 1 41  ? -2.193  -16.794 -12.886 1.00 12.31 ? 244 ALA A N   1 
ATOM   323  C CA  . ALA A 1 41  ? -2.991  -15.646 -12.428 1.00 12.65 ? 244 ALA A CA  1 
ATOM   324  C C   . ALA A 1 41  ? -2.819  -14.478 -13.391 1.00 12.31 ? 244 ALA A C   1 
ATOM   325  O O   . ALA A 1 41  ? -2.371  -13.408 -13.027 1.00 13.32 ? 244 ALA A O   1 
ATOM   326  C CB  . ALA A 1 41  ? -2.599  -15.240 -11.032 1.00 14.15 ? 244 ALA A CB  1 
ATOM   327  N N   . ASP A 1 42  ? -3.259  -14.710 -14.613 1.00 11.54 ? 245 ASP A N   1 
ATOM   328  C CA  . ASP A 1 42  ? -3.169  -13.748 -15.739 1.00 11.63 ? 245 ASP A CA  1 
ATOM   329  C C   . ASP A 1 42  ? -4.499  -13.800 -16.485 1.00 10.58 ? 245 ASP A C   1 
ATOM   330  O O   . ASP A 1 42  ? -5.111  -14.876 -16.547 1.00 10.94 ? 245 ASP A O   1 
ATOM   331  C CB  . ASP A 1 42  ? -2.112  -14.159 -16.751 1.00 11.63 ? 245 ASP A CB  1 
ATOM   332  C CG  . ASP A 1 42  ? -0.654  -14.226 -16.290 1.00 14.08 ? 245 ASP A CG  1 
ATOM   333  O OD1 . ASP A 1 42  ? -0.236  -13.357 -15.589 1.00 15.08 ? 245 ASP A OD1 1 
ATOM   334  O OD2 . ASP A 1 42  ? 0.048   -15.129 -16.732 1.00 20.48 ? 245 ASP A OD2 1 
ATOM   335  N N   . ARG A 1 43  ? -4.867  -12.710 -17.129 1.00 10.03 ? 246 ARG A N   1 
ATOM   336  C CA  . ARG A 1 43  ? -5.915  -12.741 -18.167 1.00 10.58 ? 246 ARG A CA  1 
ATOM   337  C C   . ARG A 1 43  ? -5.444  -13.681 -19.251 1.00 10.94 ? 246 ARG A C   1 
ATOM   338  O O   . ARG A 1 43  ? -4.269  -13.521 -19.743 1.00 12.05 ? 246 ARG A O   1 
ATOM   339  C CB  . ARG A 1 43  ? -6.147  -11.351 -18.742 1.00 12.18 ? 246 ARG A CB  1 
ATOM   340  C CG  . ARG A 1 43  ? -7.159  -11.368 -19.866 1.00 15.21 ? 246 ARG A CG  1 
ATOM   341  C CD  . ARG A 1 43  ? -7.571  -9.945  -20.202 1.00 19.51 ? 246 ARG A CD  1 
ATOM   342  N NE  . ARG A 1 43  ? -8.857  -10.066 -20.864 1.00 29.21 ? 246 ARG A NE  1 
ATOM   343  C CZ  . ARG A 1 43  ? -9.011  -10.408 -22.141 1.00 32.11 ? 246 ARG A CZ  1 
ATOM   344  N NH1 . ARG A 1 43  ? -7.956  -10.557 -22.921 1.00 36.25 ? 246 ARG A NH1 1 
ATOM   345  N NH2 . ARG A 1 43  ? -10.225 -10.585 -22.639 1.00 35.80 ? 246 ARG A NH2 1 
ATOM   346  N N   . GLY A 1 44  ? -6.217  -14.701 -19.586 1.00 9.55  ? 247 GLY A N   1 
ATOM   347  C CA  . GLY A 1 44  ? -5.792  -15.745 -20.516 1.00 10.36 ? 247 GLY A CA  1 
ATOM   348  C C   . GLY A 1 44  ? -5.186  -16.927 -19.820 1.00 10.12 ? 247 GLY A C   1 
ATOM   349  O O   . GLY A 1 44  ? -4.931  -17.916 -20.470 1.00 13.56 ? 247 GLY A O   1 
ATOM   350  N N   . GLY A 1 45  ? -4.836  -16.765 -18.572 1.00 9.46  ? 248 GLY A N   1 
ATOM   351  C CA  . GLY A 1 45  ? -4.200  -17.845 -17.812 1.00 10.07 ? 248 GLY A CA  1 
ATOM   352  C C   . GLY A 1 45  ? -5.162  -18.980 -17.493 1.00 10.48 ? 248 GLY A C   1 
ATOM   353  O O   . GLY A 1 45  ? -6.382  -18.749 -17.310 1.00 9.87  ? 248 GLY A O   1 
ATOM   354  N N   . LYS A 1 46  ? -4.663  -20.200 -17.491 1.00 10.85 ? 249 LYS A N   1 
ATOM   355  C CA  . LYS A 1 46  ? -5.434  -21.421 -17.198 1.00 11.39 ? 249 LYS A CA  1 
ATOM   356  C C   . LYS A 1 46  ? -5.342  -21.797 -15.735 1.00 11.60 ? 249 LYS A C   1 
ATOM   357  O O   . LYS A 1 46  ? -4.334  -21.466 -15.043 1.00 11.87 ? 249 LYS A O   1 
ATOM   358  C CB  . LYS A 1 46  ? -4.966  -22.550 -18.118 1.00 13.42 ? 249 LYS A CB  1 
ATOM   359  C CG  . LYS A 1 46  ? -4.965  -22.204 -19.603 1.00 17.11 ? 249 LYS A CG  1 
ATOM   360  C CD  . LYS A 1 46  ? -6.262  -21.755 -20.129 1.00 19.95 ? 249 LYS A CD  1 
ATOM   361  C CE  . LYS A 1 46  ? -6.323  -21.788 -21.653 1.00 24.65 ? 249 LYS A CE  1 
ATOM   362  N NZ  . LYS A 1 46  ? -7.736  -21.892 -22.127 1.00 30.16 ? 249 LYS A NZ  1 
ATOM   363  N N   . PHE A 1 47  ? -6.329  -22.547 -15.263 1.00 10.22 ? 250 PHE A N   1 
ATOM   364  C CA  . PHE A 1 47  ? -6.269  -23.180 -13.941 1.00 9.82  ? 250 PHE A CA  1 
ATOM   365  C C   . PHE A 1 47  ? -6.805  -24.592 -14.059 1.00 11.50 ? 250 PHE A C   1 
ATOM   366  O O   . PHE A 1 47  ? -7.704  -24.855 -14.877 1.00 10.96 ? 250 PHE A O   1 
ATOM   367  C CB  . PHE A 1 47  ? -6.971  -22.381 -12.854 1.00 10.00 ? 250 PHE A CB  1 
ATOM   368  C CG  . PHE A 1 47  ? -8.417  -22.074 -13.057 1.00 10.08 ? 250 PHE A CG  1 
ATOM   369  C CD1 . PHE A 1 47  ? -9.392  -22.984 -12.710 1.00 9.47  ? 250 PHE A CD1 1 
ATOM   370  C CD2 . PHE A 1 47  ? -8.774  -20.879 -13.663 1.00 9.95  ? 250 PHE A CD2 1 
ATOM   371  C CE1 . PHE A 1 47  ? -10.723 -22.669 -12.954 1.00 9.48  ? 250 PHE A CE1 1 
ATOM   372  C CE2 . PHE A 1 47  ? -10.105 -20.581 -13.902 1.00 10.54 ? 250 PHE A CE2 1 
ATOM   373  C CZ  . PHE A 1 47  ? -11.067 -21.469 -13.523 1.00 10.83 ? 250 PHE A CZ  1 
ATOM   374  N N   . HIS A 1 48  ? -6.265  -25.457 -13.214 1.00 11.82 ? 251 HIS A N   1 
ATOM   375  C CA  . HIS A 1 48  ? -6.646  -26.876 -13.126 1.00 13.43 ? 251 HIS A CA  1 
ATOM   376  C C   . HIS A 1 48  ? -6.502  -27.260 -11.655 1.00 12.15 ? 251 HIS A C   1 
ATOM   377  O O   . HIS A 1 48  ? -5.430  -26.999 -11.041 1.00 13.91 ? 251 HIS A O   1 
ATOM   378  C CB  . HIS A 1 48  ? -5.732  -27.761 -14.010 1.00 16.19 ? 251 HIS A CB  1 
ATOM   379  C CG  . HIS A 1 48  ? -5.867  -27.512 -15.473 1.00 20.75 ? 251 HIS A CG  1 
ATOM   380  N ND1 . HIS A 1 48  ? -5.047  -26.655 -16.173 1.00 27.94 ? 251 HIS A ND1 1 
ATOM   381  C CD2 . HIS A 1 48  ? -6.766  -27.986 -16.362 1.00 23.18 ? 251 HIS A CD2 1 
ATOM   382  C CE1 . HIS A 1 48  ? -5.431  -26.625 -17.440 1.00 25.60 ? 251 HIS A CE1 1 
ATOM   383  N NE2 . HIS A 1 48  ? -6.477  -27.436 -17.584 1.00 25.84 ? 251 HIS A NE2 1 
ATOM   384  N N   . MET A 1 49  ? -7.543  -27.801 -11.074 1.00 11.24 ? 252 MET A N   1 
ATOM   385  C CA  . MET A 1 49  ? -7.630  -28.064 -9.621  1.00 13.54 ? 252 MET A CA  1 
ATOM   386  C C   . MET A 1 49  ? -8.288  -29.420 -9.397  1.00 16.00 ? 252 MET A C   1 
ATOM   387  O O   . MET A 1 49  ? -8.932  -29.936 -10.313 1.00 14.65 ? 252 MET A O   1 
ATOM   388  C CB  . MET A 1 49  ? -8.420  -26.962 -8.905  1.00 17.77 ? 252 MET A CB  1 
ATOM   389  C CG  . MET A 1 49  ? -7.791  -25.664 -9.150  1.00 19.68 ? 252 MET A CG  1 
ATOM   390  S SD  . MET A 1 49  ? -8.921  -24.274 -9.066  1.00 23.53 ? 252 MET A SD  1 
ATOM   391  C CE  . MET A 1 49  ? -9.736  -24.695 -7.546  1.00 18.98 ? 252 MET A CE  1 
ATOM   392  N N   . VAL A 1 50  ? -8.097  -29.959 -8.199  1.00 16.12 ? 253 VAL A N   1 
ATOM   393  C CA  . VAL A 1 50  ? -8.692  -31.243 -7.694  1.00 19.71 ? 253 VAL A CA  1 
ATOM   394  C C   . VAL A 1 50  ? -8.616  -32.374 -8.720  1.00 21.09 ? 253 VAL A C   1 
ATOM   395  O O   . VAL A 1 50  ? -9.696  -32.874 -9.176  1.00 21.50 ? 253 VAL A O   1 
ATOM   396  C CB  . VAL A 1 50  ? -10.095 -31.021 -7.132  1.00 23.12 ? 253 VAL A CB  1 
ATOM   397  C CG1 . VAL A 1 50  ? -9.981  -30.334 -5.773  1.00 26.27 ? 253 VAL A CG1 1 
ATOM   398  C CG2 . VAL A 1 50  ? -11.016 -30.284 -8.071  1.00 23.34 ? 253 VAL A CG2 1 
ATOM   399  N N   . ASP A 1 51  ? -7.391  -32.774 -9.060  1.00 25.39 ? 254 ASP A N   1 
ATOM   400  C CA  . ASP A 1 51  ? -7.078  -33.891 -9.991  1.00 31.17 ? 254 ASP A CA  1 
ATOM   401  C C   . ASP A 1 51  ? -7.726  -33.607 -11.351 1.00 30.31 ? 254 ASP A C   1 
ATOM   402  O O   . ASP A 1 51  ? -8.170  -34.552 -12.065 1.00 32.17 ? 254 ASP A O   1 
ATOM   403  C CB  . ASP A 1 51  ? -7.510  -35.232 -9.398  1.00 37.57 ? 254 ASP A CB  1 
ATOM   404  C CG  . ASP A 1 51  ? -6.698  -36.399 -9.939  1.00 44.87 ? 254 ASP A CG  1 
ATOM   405  O OD1 . ASP A 1 51  ? -5.537  -36.545 -9.504  1.00 46.06 ? 254 ASP A OD1 1 
ATOM   406  O OD2 . ASP A 1 51  ? -7.229  -37.144 -10.808 1.00 44.96 ? 254 ASP A OD2 1 
ATOM   407  N N   . GLY A 1 52  ? -7.795  -32.330 -11.719 1.00 23.50 ? 255 GLY A N   1 
ATOM   408  C CA  . GLY A 1 52  ? -8.343  -31.931 -13.016 1.00 22.40 ? 255 GLY A CA  1 
ATOM   409  C C   . GLY A 1 52  ? -9.846  -31.967 -13.022 1.00 21.00 ? 255 GLY A C   1 
ATOM   410  O O   . GLY A 1 52  ? -10.408 -31.778 -14.101 1.00 25.06 ? 255 GLY A O   1 
ATOM   411  N N   . ASN A 1 53  ? -10.509 -32.113 -11.882 1.00 17.72 ? 256 ASN A N   1 
ATOM   412  C CA  . ASN A 1 53  ? -11.995 -32.127 -11.831 1.00 17.87 ? 256 ASN A CA  1 
ATOM   413  C C   . ASN A 1 53  ? -12.571 -30.724 -12.034 1.00 14.38 ? 256 ASN A C   1 
ATOM   414  O O   . ASN A 1 53  ? -13.798 -30.611 -12.320 1.00 14.92 ? 256 ASN A O   1 
ATOM   415  C CB  . ASN A 1 53  ? -12.545 -32.726 -10.544 1.00 19.47 ? 256 ASN A CB  1 
ATOM   416  C CG  . ASN A 1 53  ? -12.592 -34.237 -10.625 1.00 26.57 ? 256 ASN A CG  1 
ATOM   417  O OD1 . ASN A 1 53  ? -13.368 -34.792 -11.411 1.00 30.56 ? 256 ASN A OD1 1 
ATOM   418  N ND2 . ASN A 1 53  ? -11.766 -34.901 -9.838  1.00 28.74 ? 256 ASN A ND2 1 
ATOM   419  N N   . VAL A 1 54  ? -11.762 -29.693 -11.815 1.00 13.28 ? 257 VAL A N   1 
ATOM   420  C CA  . VAL A 1 54  ? -12.181 -28.285 -12.028 1.00 13.38 ? 257 VAL A CA  1 
ATOM   421  C C   . VAL A 1 54  ? -11.137 -27.638 -12.895 1.00 12.28 ? 257 VAL A C   1 
ATOM   422  O O   . VAL A 1 54  ? -9.934  -27.740 -12.605 1.00 13.01 ? 257 VAL A O   1 
ATOM   423  C CB  . VAL A 1 54  ? -12.375 -27.530 -10.714 1.00 13.65 ? 257 VAL A CB  1 
ATOM   424  C CG1 . VAL A 1 54  ? -12.547 -26.008 -10.919 1.00 14.04 ? 257 VAL A CG1 1 
ATOM   425  C CG2 . VAL A 1 54  ? -13.493 -28.140 -9.913  1.00 14.88 ? 257 VAL A CG2 1 
ATOM   426  N N   . SER A 1 55  ? -11.558 -26.896 -13.894 1.00 10.93 ? 258 SER A N   1 
ATOM   427  C CA  . SER A 1 55  ? -10.617 -26.195 -14.775 1.00 11.36 ? 258 SER A CA  1 
ATOM   428  C C   . SER A 1 55  ? -11.266 -24.991 -15.417 1.00 10.22 ? 258 SER A C   1 
ATOM   429  O O   . SER A 1 55  ? -12.476 -24.847 -15.362 1.00 9.58  ? 258 SER A O   1 
ATOM   430  C CB  . SER A 1 55  ? -10.070 -27.126 -15.794 1.00 13.75 ? 258 SER A CB  1 
ATOM   431  O OG  . SER A 1 55  ? -11.097 -27.589 -16.649 1.00 14.74 ? 258 SER A OG  1 
ATOM   432  N N   . GLY A 1 56  ? -10.442 -24.173 -16.024 1.00 9.75  ? 259 GLY A N   1 
ATOM   433  C CA  . GLY A 1 56  ? -10.942 -23.007 -16.726 1.00 10.12 ? 259 GLY A CA  1 
ATOM   434  C C   . GLY A 1 56  ? -9.852  -22.025 -17.032 1.00 10.00 ? 259 GLY A C   1 
ATOM   435  O O   . GLY A 1 56  ? -8.659  -22.387 -17.113 1.00 9.95  ? 259 GLY A O   1 
ATOM   436  N N   . GLU A 1 57  ? -10.285 -20.812 -17.337 1.00 9.49  ? 260 GLU A N   1 
ATOM   437  C CA  . GLU A 1 57  ? -9.380  -19.714 -17.764 1.00 11.62 ? 260 GLU A CA  1 
ATOM   438  C C   . GLU A 1 57  ? -9.856  -18.430 -17.136 1.00 10.54 ? 260 GLU A C   1 
ATOM   439  O O   . GLU A 1 57  ? -11.078 -18.177 -17.120 1.00 10.01 ? 260 GLU A O   1 
ATOM   440  C CB  . GLU A 1 57  ? -9.393  -19.618 -19.274 1.00 14.29 ? 260 GLU A CB  1 
ATOM   441  C CG  . GLU A 1 57  ? -8.527  -18.512 -19.845 1.00 15.72 ? 260 GLU A CG  1 
ATOM   442  C CD  . GLU A 1 57  ? -8.834  -18.241 -21.304 1.00 23.36 ? 260 GLU A CD  1 
ATOM   443  O OE1 . GLU A 1 57  ? -8.602  -19.152 -22.087 1.00 26.35 ? 260 GLU A OE1 1 
ATOM   444  O OE2 . GLU A 1 57  ? -9.329  -17.122 -21.613 1.00 26.61 ? 260 GLU A OE2 1 
ATOM   445  N N   . PHE A 1 58  ? -8.947  -17.583 -16.652 1.00 8.79  ? 261 PHE A N   1 
ATOM   446  C CA  . PHE A 1 58  ? -9.312  -16.219 -16.213 1.00 9.43  ? 261 PHE A CA  1 
ATOM   447  C C   . PHE A 1 58  ? -9.503  -15.324 -17.439 1.00 10.39 ? 261 PHE A C   1 
ATOM   448  O O   . PHE A 1 58  ? -8.632  -15.308 -18.342 1.00 10.53 ? 261 PHE A O   1 
ATOM   449  C CB  . PHE A 1 58  ? -8.236  -15.615 -15.325 1.00 9.43  ? 261 PHE A CB  1 
ATOM   450  C CG  . PHE A 1 58  ? -7.978  -16.424 -14.090 1.00 10.81 ? 261 PHE A CG  1 
ATOM   451  C CD1 . PHE A 1 58  ? -8.943  -16.446 -13.068 1.00 11.08 ? 261 PHE A CD1 1 
ATOM   452  C CD2 . PHE A 1 58  ? -6.827  -17.169 -13.937 1.00 11.31 ? 261 PHE A CD2 1 
ATOM   453  C CE1 . PHE A 1 58  ? -8.722  -17.187 -11.920 1.00 12.52 ? 261 PHE A CE1 1 
ATOM   454  C CE2 . PHE A 1 58  ? -6.594  -17.893 -12.780 1.00 13.51 ? 261 PHE A CE2 1 
ATOM   455  C CZ  . PHE A 1 58  ? -7.542  -17.923 -11.767 1.00 12.61 ? 261 PHE A CZ  1 
ATOM   456  N N   . THR A 1 59  ? -10.610 -14.583 -17.491 1.00 10.33 ? 262 THR A N   1 
ATOM   457  C CA  . THR A 1 59  ? -10.826 -13.642 -18.601 1.00 11.33 ? 262 THR A CA  1 
ATOM   458  C C   . THR A 1 59  ? -10.728 -12.204 -18.130 1.00 12.35 ? 262 THR A C   1 
ATOM   459  O O   . THR A 1 59  ? -10.531 -11.352 -19.000 1.00 14.98 ? 262 THR A O   1 
ATOM   460  C CB  . THR A 1 59  ? -12.129 -13.954 -19.326 1.00 12.78 ? 262 THR A CB  1 
ATOM   461  O OG1 . THR A 1 59  ? -13.185 -13.667 -18.418 1.00 12.55 ? 262 THR A OG1 1 
ATOM   462  C CG2 . THR A 1 59  ? -12.198 -15.371 -19.822 1.00 12.53 ? 262 THR A CG2 1 
ATOM   463  N N   . ASP A 1 60  ? -10.804 -11.908 -16.838 1.00 12.22 ? 263 ASP A N   1 
ATOM   464  C CA  . ASP A 1 60  ? -10.617 -10.514 -16.355 1.00 14.45 ? 263 ASP A CA  1 
ATOM   465  C C   . ASP A 1 60  ? -10.130 -10.610 -14.916 1.00 16.07 ? 263 ASP A C   1 
ATOM   466  O O   . ASP A 1 60  ? -10.725 -11.386 -14.116 1.00 14.19 ? 263 ASP A O   1 
ATOM   467  C CB  . ASP A 1 60  ? -11.905 -9.701  -16.446 1.00 18.40 ? 263 ASP A CB  1 
ATOM   468  C CG  . ASP A 1 60  ? -11.724 -8.202  -16.205 1.00 22.55 ? 263 ASP A CG  1 
ATOM   469  O OD1 . ASP A 1 60  ? -10.555 -7.738  -16.183 1.00 29.56 ? 263 ASP A OD1 1 
ATOM   470  O OD2 . ASP A 1 60  ? -12.731 -7.527  -16.047 1.00 31.63 ? 263 ASP A OD2 1 
ATOM   471  N N   . LEU A 1 61  ? -9.065  -9.928  -14.573 1.00 14.87 ? 264 LEU A N   1 
ATOM   472  C CA  . LEU A 1 61  ? -8.506  -9.964  -13.206 1.00 14.83 ? 264 LEU A CA  1 
ATOM   473  C C   . LEU A 1 61  ? -8.206  -8.535  -12.810 1.00 19.33 ? 264 LEU A C   1 
ATOM   474  O O   . LEU A 1 61  ? -7.322  -7.927  -13.445 1.00 19.12 ? 264 LEU A O   1 
ATOM   475  C CB  . LEU A 1 61  ? -7.244  -10.821 -13.108 1.00 16.28 ? 264 LEU A CB  1 
ATOM   476  C CG  . LEU A 1 61  ? -7.402  -12.316 -13.314 1.00 16.97 ? 264 LEU A CG  1 
ATOM   477  C CD1 . LEU A 1 61  ? -6.042  -12.981 -13.433 1.00 18.34 ? 264 LEU A CD1 1 
ATOM   478  C CD2 . LEU A 1 61  ? -8.205  -12.940 -12.195 1.00 18.04 ? 264 LEU A CD2 1 
ATOM   479  N N   . VAL A 1 62  ? -8.894  -8.045  -11.792 1.00 15.81 ? 265 VAL A N   1 
ATOM   480  C CA  . VAL A 1 62  ? -8.741  -6.645  -11.273 1.00 17.84 ? 265 VAL A CA  1 
ATOM   481  C C   . VAL A 1 62  ? -8.441  -6.799  -9.798  1.00 18.95 ? 265 VAL A C   1 
ATOM   482  O O   . VAL A 1 62  ? -9.364  -7.025  -8.998  1.00 16.40 ? 265 VAL A O   1 
ATOM   483  C CB  . VAL A 1 62  ? -9.976  -5.776  -11.533 1.00 19.85 ? 265 VAL A CB  1 
ATOM   484  C CG1 . VAL A 1 62  ? -9.789  -4.379  -10.923 1.00 20.77 ? 265 VAL A CG1 1 
ATOM   485  C CG2 . VAL A 1 62  ? -10.232 -5.679  -13.026 1.00 23.32 ? 265 VAL A CG2 1 
ATOM   486  N N   . PRO A 1 63  ? -7.156  -6.740  -9.408  1.00 18.84 ? 266 PRO A N   1 
ATOM   487  C CA  . PRO A 1 63  ? -6.739  -7.076  -8.054  1.00 20.69 ? 266 PRO A CA  1 
ATOM   488  C C   . PRO A 1 63  ? -7.567  -6.374  -6.979  1.00 19.40 ? 266 PRO A C   1 
ATOM   489  O O   . PRO A 1 63  ? -7.828  -5.183  -7.038  1.00 19.25 ? 266 PRO A O   1 
ATOM   490  C CB  . PRO A 1 63  ? -5.266  -6.650  -8.004  1.00 22.90 ? 266 PRO A CB  1 
ATOM   491  C CG  . PRO A 1 63  ? -4.826  -6.775  -9.451  1.00 22.19 ? 266 PRO A CG  1 
ATOM   492  C CD  . PRO A 1 63  ? -6.018  -6.401  -10.289 1.00 21.42 ? 266 PRO A CD  1 
ATOM   493  N N   . GLU A 1 64  ? -8.039  -7.180  -6.027  1.00 17.12 ? 267 GLU A N   1 
ATOM   494  C CA  . GLU A 1 64  ? -8.816  -6.763  -4.864  1.00 17.73 ? 267 GLU A CA  1 
ATOM   495  C C   . GLU A 1 64  ? -10.251 -6.428  -5.274  1.00 16.97 ? 267 GLU A C   1 
ATOM   496  O O   . GLU A 1 64  ? -11.012 -6.042  -4.390  1.00 19.92 ? 267 GLU A O   1 
ATOM   497  C CB  . GLU A 1 64  ? -8.184  -5.567  -4.106  1.00 20.52 ? 267 GLU A CB  1 
ATOM   498  C CG  . GLU A 1 64  ? -6.699  -5.685  -3.827  1.00 23.62 ? 267 GLU A CG  1 
ATOM   499  C CD  . GLU A 1 64  ? -6.160  -4.712  -2.782  1.00 27.44 ? 267 GLU A CD  1 
ATOM   500  O OE1 . GLU A 1 64  ? -6.984  -4.100  -2.000  1.00 30.66 ? 267 GLU A OE1 1 
ATOM   501  O OE2 . GLU A 1 64  ? -4.928  -4.592  -2.722  1.00 32.62 ? 267 GLU A OE2 1 
ATOM   502  N N   . LYS A 1 65  ? -10.661 -6.542  -6.543  1.00 14.09 ? 268 LYS A N   1 
ATOM   503  C CA  . LYS A 1 65  ? -11.975 -6.040  -6.965  1.00 16.02 ? 268 LYS A CA  1 
ATOM   504  C C   . LYS A 1 65  ? -12.802 -7.120  -7.626  1.00 13.70 ? 268 LYS A C   1 
ATOM   505  O O   . LYS A 1 65  ? -13.962 -7.328  -7.233  1.00 13.24 ? 268 LYS A O   1 
ATOM   506  C CB  . LYS A 1 65  ? -11.822 -4.862  -7.928  1.00 20.25 ? 268 LYS A CB  1 
ATOM   507  C CG  . LYS A 1 65  ? -11.036 -3.695  -7.342  1.00 25.51 ? 268 LYS A CG  1 
ATOM   508  C CD  . LYS A 1 65  ? -11.764 -3.040  -6.202  1.00 27.41 ? 268 LYS A CD  1 
ATOM   509  C CE  . LYS A 1 65  ? -13.190 -2.683  -6.540  1.00 32.98 ? 268 LYS A CE  1 
ATOM   510  N NZ  . LYS A 1 65  ? -13.725 -1.601  -5.674  1.00 37.02 ? 268 LYS A NZ  1 
ATOM   511  N N   . HIS A 1 66  ? -12.247 -7.799  -8.614  1.00 12.54 ? 269 HIS A N   1 
ATOM   512  C CA  . HIS A 1 66  ? -13.082 -8.797  -9.301  1.00 14.86 ? 269 HIS A CA  1 
ATOM   513  C C   . HIS A 1 66  ? -12.249 -9.769  -10.082 1.00 12.15 ? 269 HIS A C   1 
ATOM   514  O O   . HIS A 1 66  ? -11.106 -9.490  -10.477 1.00 11.59 ? 269 HIS A O   1 
ATOM   515  C CB  . HIS A 1 66  ? -14.201 -8.263  -10.166 1.00 19.95 ? 269 HIS A CB  1 
ATOM   516  C CG  . HIS A 1 66  ? -13.777 -7.526  -11.355 1.00 23.46 ? 269 HIS A CG  1 
ATOM   517  N ND1 . HIS A 1 66  ? -13.975 -6.153  -11.449 1.00 26.74 ? 269 HIS A ND1 1 
ATOM   518  C CD2 . HIS A 1 66  ? -13.227 -7.940  -12.513 1.00 27.54 ? 269 HIS A CD2 1 
ATOM   519  C CE1 . HIS A 1 66  ? -13.553 -5.753  -12.634 1.00 29.25 ? 269 HIS A CE1 1 
ATOM   520  N NE2 . HIS A 1 66  ? -13.086 -6.821  -13.301 1.00 31.28 ? 269 HIS A NE2 1 
ATOM   521  N N   . ILE A 1 67  ? -12.837 -10.937 -10.240 1.00 10.71 ? 270 ILE A N   1 
ATOM   522  C CA  . ILE A 1 67  ? -12.329 -12.013 -11.082 1.00 10.37 ? 270 ILE A CA  1 
ATOM   523  C C   . ILE A 1 67  ? -13.453 -12.450 -11.990 1.00 11.55 ? 270 ILE A C   1 
ATOM   524  O O   . ILE A 1 67  ? -14.571 -12.681 -11.503 1.00 10.94 ? 270 ILE A O   1 
ATOM   525  C CB  . ILE A 1 67  ? -11.874 -13.191 -10.202 1.00 10.44 ? 270 ILE A CB  1 
ATOM   526  C CG1 . ILE A 1 67  ? -10.729 -12.789 -9.274  1.00 11.00 ? 270 ILE A CG1 1 
ATOM   527  C CG2 . ILE A 1 67  ? -11.511 -14.420 -11.037 1.00 11.35 ? 270 ILE A CG2 1 
ATOM   528  C CD1 . ILE A 1 67  ? -10.413 -13.803 -8.245  1.00 11.44 ? 270 ILE A CD1 1 
ATOM   529  N N   . VAL A 1 68  ? -13.183 -12.577 -13.268 1.00 10.44 ? 271 VAL A N   1 
ATOM   530  C CA  . VAL A 1 68  ? -14.141 -13.174 -14.219 1.00 10.38 ? 271 VAL A CA  1 
ATOM   531  C C   . VAL A 1 68  ? -13.443 -14.370 -14.818 1.00 10.67 ? 271 VAL A C   1 
ATOM   532  O O   . VAL A 1 68  ? -12.270 -14.275 -15.228 1.00 10.22 ? 271 VAL A O   1 
ATOM   533  C CB  . VAL A 1 68  ? -14.627 -12.214 -15.321 1.00 11.33 ? 271 VAL A CB  1 
ATOM   534  C CG1 . VAL A 1 68  ? -15.598 -12.918 -16.197 1.00 12.74 ? 271 VAL A CG1 1 
ATOM   535  C CG2 . VAL A 1 68  ? -15.183 -10.908 -14.807 1.00 12.15 ? 271 VAL A CG2 1 
ATOM   536  N N   . MET A 1 69  ? -14.105 -15.496 -14.853 1.00 9.14  ? 272 MET A N   1 
ATOM   537  C CA  . MET A 1 69  ? -13.467 -16.698 -15.382 1.00 10.94 ? 272 MET A CA  1 
ATOM   538  C C   . MET A 1 69  ? -14.445 -17.576 -16.121 1.00 9.99  ? 272 MET A C   1 
ATOM   539  O O   . MET A 1 69  ? -15.643 -17.573 -15.832 1.00 10.91 ? 272 MET A O   1 
ATOM   540  C CB  . MET A 1 69  ? -12.799 -17.530 -14.293 1.00 13.24 ? 272 MET A CB  1 
ATOM   541  C CG  . MET A 1 69  ? -13.649 -17.888 -13.173 1.00 13.68 ? 272 MET A CG  1 
ATOM   542  S SD  . MET A 1 69  ? -12.676 -18.530 -11.701 1.00 15.01 ? 272 MET A SD  1 
ATOM   543  C CE  . MET A 1 69  ? -13.992 -18.558 -10.507 1.00 20.07 ? 272 MET A CE  1 
ATOM   544  N N   . LYS A 1 70  ? -13.895 -18.345 -17.034 1.00 9.10  ? 273 LYS A N   1 
ATOM   545  C CA  . LYS A 1 70  ? -14.571 -19.513 -17.625 1.00 9.59  ? 273 LYS A CA  1 
ATOM   546  C C   . LYS A 1 70  ? -14.228 -20.681 -16.726 1.00 8.83  ? 273 LYS A C   1 
ATOM   547  O O   . LYS A 1 70  ? -13.065 -20.810 -16.316 1.00 10.71 ? 273 LYS A O   1 
ATOM   548  C CB  . LYS A 1 70  ? -14.081 -19.698 -19.048 1.00 10.54 ? 273 LYS A CB  1 
ATOM   549  C CG  . LYS A 1 70  ? -14.621 -18.635 -19.973 1.00 10.90 ? 273 LYS A CG  1 
ATOM   550  C CD  . LYS A 1 70  ? -16.055 -18.846 -20.400 1.00 12.95 ? 273 LYS A CD  1 
ATOM   551  C CE  . LYS A 1 70  ? -16.582 -17.820 -21.380 1.00 14.15 ? 273 LYS A CE  1 
ATOM   552  N NZ  . LYS A 1 70  ? -17.852 -18.267 -22.005 1.00 15.63 ? 273 LYS A NZ  1 
ATOM   553  N N   . TRP A 1 71  ? -15.216 -21.474 -16.351 1.00 8.47  ? 274 TRP A N   1 
ATOM   554  C CA  . TRP A 1 71  ? -15.048 -22.459 -15.275 1.00 9.13  ? 274 TRP A CA  1 
ATOM   555  C C   . TRP A 1 71  ? -15.904 -23.680 -15.593 1.00 9.72  ? 274 TRP A C   1 
ATOM   556  O O   . TRP A 1 71  ? -17.045 -23.520 -16.045 1.00 9.87  ? 274 TRP A O   1 
ATOM   557  C CB  . TRP A 1 71  ? -15.485 -21.767 -13.974 1.00 8.61  ? 274 TRP A CB  1 
ATOM   558  C CG  . TRP A 1 71  ? -15.293 -22.546 -12.717 1.00 8.70  ? 274 TRP A CG  1 
ATOM   559  C CD1 . TRP A 1 71  ? -14.315 -22.295 -11.790 1.00 8.46  ? 274 TRP A CD1 1 
ATOM   560  C CD2 . TRP A 1 71  ? -16.096 -23.620 -12.159 1.00 9.04  ? 274 TRP A CD2 1 
ATOM   561  N NE1 . TRP A 1 71  ? -14.452 -23.123 -10.718 1.00 10.40 ? 274 TRP A NE1 1 
ATOM   562  C CE2 . TRP A 1 71  ? -15.529 -23.941 -10.910 1.00 9.57  ? 274 TRP A CE2 1 
ATOM   563  C CE3 . TRP A 1 71  ? -17.268 -24.290 -12.541 1.00 10.08 ? 274 TRP A CE3 1 
ATOM   564  C CZ2 . TRP A 1 71  ? -16.024 -24.968 -10.106 1.00 10.37 ? 274 TRP A CZ2 1 
ATOM   565  C CZ3 . TRP A 1 71  ? -17.739 -25.320 -11.759 1.00 11.00 ? 274 TRP A CZ3 1 
ATOM   566  C CH2 . TRP A 1 71  ? -17.134 -25.635 -10.535 1.00 10.59 ? 274 TRP A CH2 1 
ATOM   567  N N   . ARG A 1 72  ? -15.355 -24.866 -15.354 1.00 8.98  ? 275 ARG A N   1 
ATOM   568  C CA  . ARG A 1 72  ? -16.131 -26.109 -15.569 1.00 9.57  ? 275 ARG A CA  1 
ATOM   569  C C   . ARG A 1 72  ? -15.722 -27.205 -14.625 1.00 10.36 ? 275 ARG A C   1 
ATOM   570  O O   . ARG A 1 72  ? -14.601 -27.214 -14.109 1.00 10.12 ? 275 ARG A O   1 
ATOM   571  C CB  . ARG A 1 72  ? -15.977 -26.614 -16.999 1.00 10.31 ? 275 ARG A CB  1 
ATOM   572  C CG  . ARG A 1 72  ? -14.547 -26.884 -17.379 1.00 10.88 ? 275 ARG A CG  1 
ATOM   573  C CD  . ARG A 1 72  ? -14.397 -27.440 -18.761 1.00 12.26 ? 275 ARG A CD  1 
ATOM   574  N NE  . ARG A 1 72  ? -14.604 -28.901 -18.767 1.00 13.82 ? 275 ARG A NE  1 
ATOM   575  C CZ  . ARG A 1 72  ? -15.619 -29.540 -19.366 1.00 12.86 ? 275 ARG A CZ  1 
ATOM   576  N NH1 . ARG A 1 72  ? -16.606 -28.842 -19.882 1.00 13.86 ? 275 ARG A NH1 1 
ATOM   577  N NH2 . ARG A 1 72  ? -15.653 -30.886 -19.416 1.00 13.39 ? 275 ARG A NH2 1 
ATOM   578  N N   . PHE A 1 73  ? -16.642 -28.128 -14.398 1.00 10.33 ? 276 PHE A N   1 
ATOM   579  C CA  . PHE A 1 73  ? -16.297 -29.465 -13.870 1.00 11.30 ? 276 PHE A CA  1 
ATOM   580  C C   . PHE A 1 73  ? -15.944 -30.402 -15.045 1.00 12.39 ? 276 PHE A C   1 
ATOM   581  O O   . PHE A 1 73  ? -16.520 -30.263 -16.131 1.00 12.94 ? 276 PHE A O   1 
ATOM   582  C CB  . PHE A 1 73  ? -17.469 -30.081 -13.125 1.00 13.38 ? 276 PHE A CB  1 
ATOM   583  C CG  . PHE A 1 73  ? -17.726 -29.602 -11.738 1.00 13.65 ? 276 PHE A CG  1 
ATOM   584  C CD1 . PHE A 1 73  ? -16.833 -29.887 -10.714 1.00 14.83 ? 276 PHE A CD1 1 
ATOM   585  C CD2 . PHE A 1 73  ? -18.923 -29.013 -11.413 1.00 13.68 ? 276 PHE A CD2 1 
ATOM   586  C CE1 . PHE A 1 73  ? -17.136 -29.541 -9.406  1.00 14.88 ? 276 PHE A CE1 1 
ATOM   587  C CE2 . PHE A 1 73  ? -19.220 -28.652 -10.120 1.00 14.75 ? 276 PHE A CE2 1 
ATOM   588  C CZ  . PHE A 1 73  ? -18.322 -28.903 -9.117  1.00 15.44 ? 276 PHE A CZ  1 
ATOM   589  N N   . LYS A 1 74  ? -15.054 -31.336 -14.802 1.00 14.88 ? 277 LYS A N   1 
ATOM   590  C CA  . LYS A 1 74  ? -14.527 -32.262 -15.857 1.00 15.07 ? 277 LYS A CA  1 
ATOM   591  C C   . LYS A 1 74  ? -15.676 -33.031 -16.516 1.00 14.88 ? 277 LYS A C   1 
ATOM   592  O O   . LYS A 1 74  ? -15.601 -33.313 -17.742 1.00 16.08 ? 277 LYS A O   1 
ATOM   593  C CB  . LYS A 1 74  ? -13.482 -33.199 -15.261 1.00 18.37 ? 277 LYS A CB  1 
ATOM   594  C CG  . LYS A 1 74  ? -12.753 -34.070 -16.291 1.00 21.93 ? 277 LYS A CG  1 
ATOM   595  C CD  . LYS A 1 74  ? -11.719 -34.950 -15.656 1.00 26.62 ? 277 LYS A CD  1 
ATOM   596  C CE  . LYS A 1 74  ? -11.003 -35.787 -16.697 1.00 32.70 ? 277 LYS A CE  1 
ATOM   597  N NZ  . LYS A 1 74  ? -10.072 -36.759 -16.088 1.00 37.12 ? 277 LYS A NZ  1 
ATOM   598  N N   . SER A 1 75  ? -16.702 -33.359 -15.758 1.00 14.94 ? 278 SER A N   1 
ATOM   599  C CA  . SER A 1 75  ? -17.811 -34.211 -16.269 1.00 16.17 ? 278 SER A CA  1 
ATOM   600  C C   . SER A 1 75  ? -18.764 -33.417 -17.164 1.00 15.96 ? 278 SER A C   1 
ATOM   601  O O   . SER A 1 75  ? -19.688 -34.002 -17.817 1.00 17.03 ? 278 SER A O   1 
ATOM   602  C CB  . SER A 1 75  ? -18.552 -34.865 -15.128 1.00 18.69 ? 278 SER A CB  1 
ATOM   603  O OG  . SER A 1 75  ? -19.245 -33.881 -14.384 1.00 20.33 ? 278 SER A OG  1 
ATOM   604  N N   . TRP A 1 76  ? -18.677 -32.087 -17.218 1.00 13.03 ? 279 TRP A N   1 
ATOM   605  C CA  . TRP A 1 76  ? -19.593 -31.306 -18.079 1.00 13.36 ? 279 TRP A CA  1 
ATOM   606  C C   . TRP A 1 76  ? -19.328 -31.640 -19.541 1.00 13.68 ? 279 TRP A C   1 
ATOM   607  O O   . TRP A 1 76  ? -18.237 -32.082 -19.869 1.00 13.80 ? 279 TRP A O   1 
ATOM   608  C CB  . TRP A 1 76  ? -19.406 -29.816 -17.796 1.00 12.51 ? 279 TRP A CB  1 
ATOM   609  C CG  . TRP A 1 76  ? -19.907 -29.372 -16.467 1.00 12.09 ? 279 TRP A CG  1 
ATOM   610  C CD1 . TRP A 1 76  ? -20.421 -30.120 -15.443 1.00 12.20 ? 279 TRP A CD1 1 
ATOM   611  C CD2 . TRP A 1 76  ? -19.953 -28.004 -16.005 1.00 10.61 ? 279 TRP A CD2 1 
ATOM   612  N NE1 . TRP A 1 76  ? -20.792 -29.318 -14.405 1.00 11.43 ? 279 TRP A NE1 1 
ATOM   613  C CE2 . TRP A 1 76  ? -20.534 -27.999 -14.732 1.00 10.33 ? 279 TRP A CE2 1 
ATOM   614  C CE3 . TRP A 1 76  ? -19.608 -26.783 -16.579 1.00 10.02 ? 279 TRP A CE3 1 
ATOM   615  C CZ2 . TRP A 1 76  ? -20.655 -26.834 -13.958 1.00 10.85 ? 279 TRP A CZ2 1 
ATOM   616  C CZ3 . TRP A 1 76  ? -19.792 -25.627 -15.836 1.00 10.20 ? 279 TRP A CZ3 1 
ATOM   617  C CH2 . TRP A 1 76  ? -20.335 -25.651 -14.561 1.00 9.95  ? 279 TRP A CH2 1 
ATOM   618  N N   . PRO A 1 77  ? -20.286 -31.367 -20.463 1.00 16.54 ? 280 PRO A N   1 
ATOM   619  C CA  . PRO A 1 77  ? -20.054 -31.597 -21.886 1.00 18.66 ? 280 PRO A CA  1 
ATOM   620  C C   . PRO A 1 77  ? -18.752 -30.900 -22.290 1.00 20.93 ? 280 PRO A C   1 
ATOM   621  O O   . PRO A 1 77  ? -18.457 -29.804 -21.810 1.00 16.61 ? 280 PRO A O   1 
ATOM   622  C CB  . PRO A 1 77  ? -21.308 -31.006 -22.533 1.00 19.96 ? 280 PRO A CB  1 
ATOM   623  C CG  . PRO A 1 77  ? -22.369 -31.104 -21.467 1.00 20.05 ? 280 PRO A CG  1 
ATOM   624  C CD  . PRO A 1 77  ? -21.626 -30.869 -20.166 1.00 17.33 ? 280 PRO A CD  1 
ATOM   625  N N   . GLU A 1 78  ? -17.937 -31.578 -23.078 1.00 20.66 ? 281 GLU A N   1 
ATOM   626  C CA  . GLU A 1 78  ? -16.640 -31.053 -23.547 1.00 21.18 ? 281 GLU A CA  1 
ATOM   627  C C   . GLU A 1 78  ? -16.798 -29.639 -24.116 1.00 17.72 ? 281 GLU A C   1 
ATOM   628  O O   . GLU A 1 78  ? -17.663 -29.386 -24.962 1.00 19.53 ? 281 GLU A O   1 
ATOM   629  C CB  . GLU A 1 78  ? -16.067 -31.988 -24.611 1.00 28.43 ? 281 GLU A CB  1 
ATOM   630  C CG  . GLU A 1 78  ? -14.572 -31.884 -24.713 1.00 32.23 ? 281 GLU A CG  1 
ATOM   631  C CD  . GLU A 1 78  ? -13.943 -33.118 -25.332 1.00 39.45 ? 281 GLU A CD  1 
ATOM   632  O OE1 . GLU A 1 78  ? -13.752 -33.111 -26.557 1.00 42.51 ? 281 GLU A OE1 1 
ATOM   633  O OE2 . GLU A 1 78  ? -13.680 -34.082 -24.583 1.00 43.60 ? 281 GLU A OE2 1 
ATOM   634  N N   . GLY A 1 79  ? -15.971 -28.731 -23.662 1.00 16.66 ? 282 GLY A N   1 
ATOM   635  C CA  . GLY A 1 79  ? -15.940 -27.355 -24.204 1.00 15.84 ? 282 GLY A CA  1 
ATOM   636  C C   . GLY A 1 79  ? -17.030 -26.482 -23.594 1.00 14.13 ? 282 GLY A C   1 
ATOM   637  O O   . GLY A 1 79  ? -17.111 -25.321 -23.935 1.00 14.13 ? 282 GLY A O   1 
ATOM   638  N N   . HIS A 1 80  ? -17.824 -27.026 -22.673 1.00 14.08 ? 283 HIS A N   1 
ATOM   639  C CA  . HIS A 1 80  ? -18.857 -26.232 -21.975 1.00 12.81 ? 283 HIS A CA  1 
ATOM   640  C C   . HIS A 1 80  ? -18.242 -25.554 -20.748 1.00 11.31 ? 283 HIS A C   1 
ATOM   641  O O   . HIS A 1 80  ? -17.806 -26.261 -19.859 1.00 11.75 ? 283 HIS A O   1 
ATOM   642  C CB  . HIS A 1 80  ? -20.076 -27.064 -21.628 1.00 13.72 ? 283 HIS A CB  1 
ATOM   643  C CG  . HIS A 1 80  ? -21.176 -26.198 -21.141 1.00 15.49 ? 283 HIS A CG  1 
ATOM   644  N ND1 . HIS A 1 80  ? -22.049 -25.594 -22.028 1.00 19.67 ? 283 HIS A ND1 1 
ATOM   645  C CD2 . HIS A 1 80  ? -21.419 -25.671 -19.918 1.00 15.18 ? 283 HIS A CD2 1 
ATOM   646  C CE1 . HIS A 1 80  ? -22.884 -24.826 -21.324 1.00 22.78 ? 283 HIS A CE1 1 
ATOM   647  N NE2 . HIS A 1 80  ? -22.510 -24.866 -20.034 1.00 16.55 ? 283 HIS A NE2 1 
ATOM   648  N N   . PHE A 1 81  ? -18.244 -24.224 -20.746 1.00 10.97 ? 284 PHE A N   1 
ATOM   649  C CA  . PHE A 1 81  ? -17.771 -23.411 -19.609 1.00 10.11 ? 284 PHE A CA  1 
ATOM   650  C C   . PHE A 1 81  ? -18.904 -22.571 -19.092 1.00 9.33  ? 284 PHE A C   1 
ATOM   651  O O   . PHE A 1 81  ? -19.618 -21.933 -19.861 1.00 10.98 ? 284 PHE A O   1 
ATOM   652  C CB  . PHE A 1 81  ? -16.614 -22.504 -20.013 1.00 10.29 ? 284 PHE A CB  1 
ATOM   653  C CG  . PHE A 1 81  ? -15.374 -23.255 -20.406 1.00 10.57 ? 284 PHE A CG  1 
ATOM   654  C CD1 . PHE A 1 81  ? -14.443 -23.654 -19.456 1.00 10.74 ? 284 PHE A CD1 1 
ATOM   655  C CD2 . PHE A 1 81  ? -15.167 -23.540 -21.742 1.00 11.39 ? 284 PHE A CD2 1 
ATOM   656  C CE1 . PHE A 1 81  ? -13.315 -24.354 -19.832 1.00 13.30 ? 284 PHE A CE1 1 
ATOM   657  C CE2 . PHE A 1 81  ? -14.019 -24.216 -22.124 1.00 13.17 ? 284 PHE A CE2 1 
ATOM   658  C CZ  . PHE A 1 81  ? -13.105 -24.613 -21.175 1.00 12.27 ? 284 PHE A CZ  1 
ATOM   659  N N   . ALA A 1 82  ? -19.022 -22.507 -17.777 1.00 8.62  ? 285 ALA A N   1 
ATOM   660  C CA  . ALA A 1 82  ? -19.762 -21.451 -17.099 1.00 8.80  ? 285 ALA A CA  1 
ATOM   661  C C   . ALA A 1 82  ? -18.931 -20.183 -17.107 1.00 8.50  ? 285 ALA A C   1 
ATOM   662  O O   . ALA A 1 82  ? -17.693 -20.232 -17.209 1.00 8.92  ? 285 ALA A O   1 
ATOM   663  C CB  . ALA A 1 82  ? -20.105 -21.844 -15.699 1.00 9.09  ? 285 ALA A CB  1 
ATOM   664  N N   . THR A 1 83  ? -19.581 -19.056 -17.006 1.00 8.20  ? 286 THR A N   1 
ATOM   665  C CA  . THR A 1 83  ? -18.902 -17.775 -16.770 1.00 8.87  ? 286 THR A CA  1 
ATOM   666  C C   . THR A 1 83  ? -19.183 -17.394 -15.323 1.00 9.19  ? 286 THR A C   1 
ATOM   667  O O   . THR A 1 83  ? -20.373 -17.225 -14.964 1.00 9.78  ? 286 THR A O   1 
ATOM   668  C CB  . THR A 1 83  ? -19.373 -16.738 -17.779 1.00 10.12 ? 286 THR A CB  1 
ATOM   669  O OG1 . THR A 1 83  ? -19.052 -17.194 -19.086 1.00 12.40 ? 286 THR A OG1 1 
ATOM   670  C CG2 . THR A 1 83  ? -18.697 -15.410 -17.539 1.00 10.96 ? 286 THR A CG2 1 
ATOM   671  N N   . ILE A 1 84  ? -18.136 -17.267 -14.529 1.00 8.38  ? 287 ILE A N   1 
ATOM   672  C CA  . ILE A 1 84  ? -18.260 -16.919 -13.106 1.00 9.37  ? 287 ILE A CA  1 
ATOM   673  C C   . ILE A 1 84  ? -17.622 -15.569 -12.860 1.00 9.14  ? 287 ILE A C   1 
ATOM   674  O O   . ILE A 1 84  ? -16.450 -15.386 -13.225 1.00 8.99  ? 287 ILE A O   1 
ATOM   675  C CB  . ILE A 1 84  ? -17.690 -18.017 -12.210 1.00 10.99 ? 287 ILE A CB  1 
ATOM   676  C CG1 . ILE A 1 84  ? -18.458 -19.314 -12.493 1.00 12.98 ? 287 ILE A CG1 1 
ATOM   677  C CG2 . ILE A 1 84  ? -17.748 -17.573 -10.765 1.00 12.60 ? 287 ILE A CG2 1 
ATOM   678  C CD1 . ILE A 1 84  ? -18.221 -20.451 -11.603 1.00 14.32 ? 287 ILE A CD1 1 
ATOM   679  N N   . THR A 1 85  ? -18.339 -14.683 -12.218 1.00 9.13  ? 288 THR A N   1 
ATOM   680  C CA  . THR A 1 85  ? -17.819 -13.397 -11.760 1.00 9.61  ? 288 THR A CA  1 
ATOM   681  C C   . THR A 1 85  ? -17.775 -13.378 -10.249 1.00 8.70  ? 288 THR A C   1 
ATOM   682  O O   . THR A 1 85  ? -18.824 -13.663 -9.637  1.00 9.45  ? 288 THR A O   1 
ATOM   683  C CB  . THR A 1 85  ? -18.697 -12.269 -12.299 1.00 11.38 ? 288 THR A CB  1 
ATOM   684  O OG1 . THR A 1 85  ? -18.748 -12.352 -13.729 1.00 14.53 ? 288 THR A OG1 1 
ATOM   685  C CG2 . THR A 1 85  ? -18.239 -10.895 -11.860 1.00 13.14 ? 288 THR A CG2 1 
ATOM   686  N N   . LEU A 1 86  ? -16.644 -13.039 -9.672  1.00 9.18  ? 289 LEU A N   1 
ATOM   687  C CA  . LEU A 1 86  ? -16.485 -12.854 -8.229  1.00 9.98  ? 289 LEU A CA  1 
ATOM   688  C C   . LEU A 1 86  ? -16.207 -11.386 -7.977  1.00 10.72 ? 289 LEU A C   1 
ATOM   689  O O   . LEU A 1 86  ? -15.252 -10.849 -8.595  1.00 11.32 ? 289 LEU A O   1 
ATOM   690  C CB  . LEU A 1 86  ? -15.322 -13.666 -7.694  1.00 10.82 ? 289 LEU A CB  1 
ATOM   691  C CG  . LEU A 1 86  ? -15.384 -15.180 -7.909  1.00 11.94 ? 289 LEU A CG  1 
ATOM   692  C CD1 . LEU A 1 86  ? -14.144 -15.870 -7.413  1.00 12.88 ? 289 LEU A CD1 1 
ATOM   693  C CD2 . LEU A 1 86  ? -16.585 -15.774 -7.185  1.00 13.92 ? 289 LEU A CD2 1 
ATOM   694  N N   . THR A 1 87  ? -17.006 -10.753 -7.170  1.00 11.49 ? 290 THR A N   1 
ATOM   695  C CA  . THR A 1 87  ? -16.801 -9.327  -6.829  1.00 11.74 ? 290 THR A CA  1 
ATOM   696  C C   . THR A 1 87  ? -16.481 -9.238  -5.336  1.00 11.55 ? 290 THR A C   1 
ATOM   697  O O   . THR A 1 87  ? -17.209 -9.845  -4.527  1.00 12.34 ? 290 THR A O   1 
ATOM   698  C CB  . THR A 1 87  ? -18.038 -8.510  -7.210  1.00 13.18 ? 290 THR A CB  1 
ATOM   699  O OG1 . THR A 1 87  ? -18.345 -8.722  -8.604  1.00 16.41 ? 290 THR A OG1 1 
ATOM   700  C CG2 . THR A 1 87  ? -17.850 -7.032  -6.911  1.00 15.41 ? 290 THR A CG2 1 
ATOM   701  N N   . PHE A 1 88  ? -15.425 -8.530  -5.004  1.00 11.96 ? 291 PHE A N   1 
ATOM   702  C CA  . PHE A 1 88  ? -14.875 -8.365  -3.647  1.00 12.47 ? 291 PHE A CA  1 
ATOM   703  C C   . PHE A 1 88  ? -15.262 -6.972  -3.152  1.00 14.19 ? 291 PHE A C   1 
ATOM   704  O O   . PHE A 1 88  ? -14.878 -6.014  -3.798  1.00 18.34 ? 291 PHE A O   1 
ATOM   705  C CB  . PHE A 1 88  ? -13.367 -8.560  -3.664  1.00 12.09 ? 291 PHE A CB  1 
ATOM   706  C CG  . PHE A 1 88  ? -12.885 -9.913  -4.143  1.00 12.47 ? 291 PHE A CG  1 
ATOM   707  C CD1 . PHE A 1 88  ? -12.893 -10.241 -5.487  1.00 12.97 ? 291 PHE A CD1 1 
ATOM   708  C CD2 . PHE A 1 88  ? -12.453 -10.881 -3.264  1.00 13.37 ? 291 PHE A CD2 1 
ATOM   709  C CE1 . PHE A 1 88  ? -12.493 -11.491 -5.921  1.00 12.13 ? 291 PHE A CE1 1 
ATOM   710  C CE2 . PHE A 1 88  ? -11.989 -12.104 -3.705  1.00 12.96 ? 291 PHE A CE2 1 
ATOM   711  C CZ  . PHE A 1 88  ? -12.093 -12.438 -5.022  1.00 12.47 ? 291 PHE A CZ  1 
ATOM   712  N N   . ILE A 1 89  ? -16.059 -6.884  -2.103  1.00 15.08 ? 292 ILE A N   1 
ATOM   713  C CA  . ILE A 1 89  ? -16.510 -5.555  -1.598  1.00 17.86 ? 292 ILE A CA  1 
ATOM   714  C C   . ILE A 1 89  ? -15.991 -5.450  -0.177  1.00 16.05 ? 292 ILE A C   1 
ATOM   715  O O   . ILE A 1 89  ? -16.283 -6.364  0.608   1.00 16.88 ? 292 ILE A O   1 
ATOM   716  C CB  . ILE A 1 89  ? -18.041 -5.402  -1.637  1.00 21.95 ? 292 ILE A CB  1 
ATOM   717  C CG1 . ILE A 1 89  ? -18.601 -5.472  -3.058  1.00 26.20 ? 292 ILE A CG1 1 
ATOM   718  C CG2 . ILE A 1 89  ? -18.429 -4.106  -0.930  1.00 23.86 ? 292 ILE A CG2 1 
ATOM   719  C CD1 . ILE A 1 89  ? -19.220 -6.780  -3.386  1.00 30.54 ? 292 ILE A CD1 1 
ATOM   720  N N   . ASP A 1 90  ? -15.297 -4.363  0.148   1.00 17.34 ? 293 ASP A N   1 
ATOM   721  C CA  . ASP A 1 90  ? -14.881 -4.101  1.545   1.00 18.97 ? 293 ASP A CA  1 
ATOM   722  C C   . ASP A 1 90  ? -16.085 -3.616  2.359   1.00 20.19 ? 293 ASP A C   1 
ATOM   723  O O   . ASP A 1 90  ? -16.723 -2.645  1.959   1.00 19.21 ? 293 ASP A O   1 
ATOM   724  C CB  . ASP A 1 90  ? -13.677 -3.163  1.620   1.00 22.21 ? 293 ASP A CB  1 
ATOM   725  C CG  . ASP A 1 90  ? -13.142 -2.990  3.032   1.00 27.23 ? 293 ASP A CG  1 
ATOM   726  O OD1 . ASP A 1 90  ? -13.934 -2.603  3.893   1.00 30.66 ? 293 ASP A OD1 1 
ATOM   727  O OD2 . ASP A 1 90  ? -11.940 -3.262  3.256   1.00 36.26 ? 293 ASP A OD2 1 
ATOM   728  N N   . LYS A 1 91  ? -16.419 -4.320  3.435   1.00 21.13 ? 294 LYS A N   1 
ATOM   729  C CA  . LYS A 1 91  ? -17.443 -3.896  4.418   1.00 26.99 ? 294 LYS A CA  1 
ATOM   730  C C   . LYS A 1 91  ? -16.719 -3.791  5.763   1.00 27.38 ? 294 LYS A C   1 
ATOM   731  O O   . LYS A 1 91  ? -16.552 -4.813  6.469   1.00 26.72 ? 294 LYS A O   1 
ATOM   732  C CB  . LYS A 1 91  ? -18.634 -4.859  4.382   1.00 31.83 ? 294 LYS A CB  1 
ATOM   733  C CG  . LYS A 1 91  ? -19.912 -4.314  3.742   1.00 38.35 ? 294 LYS A CG  1 
ATOM   734  C CD  . LYS A 1 91  ? -21.143 -5.170  4.039   1.00 40.70 ? 294 LYS A CD  1 
ATOM   735  C CE  . LYS A 1 91  ? -21.154 -6.453  3.227   1.00 41.97 ? 294 LYS A CE  1 
ATOM   736  N NZ  . LYS A 1 91  ? -22.359 -7.284  3.462   1.00 44.20 ? 294 LYS A NZ  1 
ATOM   737  N N   . ASN A 1 92  ? -16.176 -2.620  6.061   1.00 29.13 ? 295 ASN A N   1 
ATOM   738  C CA  . ASN A 1 92  ? -15.585 -2.415  7.403   1.00 28.99 ? 295 ASN A CA  1 
ATOM   739  C C   . ASN A 1 92  ? -14.372 -3.341  7.562   1.00 25.45 ? 295 ASN A C   1 
ATOM   740  O O   . ASN A 1 92  ? -14.191 -3.870  8.659   1.00 28.37 ? 295 ASN A O   1 
ATOM   741  C CB  . ASN A 1 92  ? -16.651 -2.681  8.461   1.00 33.95 ? 295 ASN A CB  1 
ATOM   742  C CG  . ASN A 1 92  ? -17.709 -1.602  8.463   1.00 38.47 ? 295 ASN A CG  1 
ATOM   743  O OD1 . ASN A 1 92  ? -17.426 -0.457  8.112   1.00 40.21 ? 295 ASN A OD1 1 
ATOM   744  N ND2 . ASN A 1 92  ? -18.917 -1.956  8.860   1.00 40.24 ? 295 ASN A ND2 1 
ATOM   745  N N   . GLY A 1 93  ? -13.560 -3.508  6.514   1.00 22.70 ? 296 GLY A N   1 
ATOM   746  C CA  . GLY A 1 93  ? -12.313 -4.296  6.551   1.00 21.14 ? 296 GLY A CA  1 
ATOM   747  C C   . GLY A 1 93  ? -12.562 -5.799  6.478   1.00 21.00 ? 296 GLY A C   1 
ATOM   748  O O   . GLY A 1 93  ? -11.583 -6.541  6.493   1.00 21.54 ? 296 GLY A O   1 
ATOM   749  N N   . GLU A 1 94  ? -13.830 -6.193  6.426   1.00 18.92 ? 297 GLU A N   1 
ATOM   750  C CA  . GLU A 1 94  ? -14.295 -7.558  6.080   1.00 17.57 ? 297 GLU A CA  1 
ATOM   751  C C   . GLU A 1 94  ? -14.665 -7.576  4.607   1.00 16.53 ? 297 GLU A C   1 
ATOM   752  O O   . GLU A 1 94  ? -14.691 -6.520  3.981   1.00 20.04 ? 297 GLU A O   1 
ATOM   753  C CB  . GLU A 1 94  ? -15.524 -7.962  6.857   1.00 16.53 ? 297 GLU A CB  1 
ATOM   754  C CG  . GLU A 1 94  ? -15.290 -7.952  8.363   1.00 19.86 ? 297 GLU A CG  1 
ATOM   755  C CD  . GLU A 1 94  ? -16.546 -8.191  9.163   1.00 20.73 ? 297 GLU A CD  1 
ATOM   756  O OE1 . GLU A 1 94  ? -17.524 -8.706  8.608   1.00 22.20 ? 297 GLU A OE1 1 
ATOM   757  O OE2 . GLU A 1 94  ? -16.533 -7.867  10.377  1.00 24.64 ? 297 GLU A OE2 1 
ATOM   758  N N   . THR A 1 95  ? -14.833 -8.759  4.043   1.00 14.11 ? 298 THR A N   1 
ATOM   759  C CA  . THR A 1 95  ? -15.061 -8.854  2.592   1.00 14.34 ? 298 THR A CA  1 
ATOM   760  C C   . THR A 1 95  ? -16.408 -9.508  2.353   1.00 13.58 ? 298 THR A C   1 
ATOM   761  O O   . THR A 1 95  ? -16.651 -10.631 2.811   1.00 13.74 ? 298 THR A O   1 
ATOM   762  C CB  . THR A 1 95  ? -13.941 -9.606  1.877   1.00 15.46 ? 298 THR A CB  1 
ATOM   763  O OG1 . THR A 1 95  ? -12.658 -9.001  2.089   1.00 18.25 ? 298 THR A OG1 1 
ATOM   764  C CG2 . THR A 1 95  ? -14.241 -9.659  0.403   1.00 15.29 ? 298 THR A CG2 1 
ATOM   765  N N   . GLU A 1 96  ? -17.254 -8.822  1.596   1.00 12.22 ? 299 GLU A N   1 
ATOM   766  C CA  . GLU A 1 96  ? -18.472 -9.433  1.046   1.00 13.82 ? 299 GLU A CA  1 
ATOM   767  C C   . GLU A 1 96  ? -18.105 -9.922  -0.349  1.00 11.59 ? 299 GLU A C   1 
ATOM   768  O O   . GLU A 1 96  ? -17.702 -9.101  -1.175  1.00 14.18 ? 299 GLU A O   1 
ATOM   769  C CB  . GLU A 1 96  ? -19.627 -8.442  0.964   1.00 18.07 ? 299 GLU A CB  1 
ATOM   770  C CG  . GLU A 1 96  ? -20.920 -9.126  0.582   1.00 23.68 ? 299 GLU A CG  1 
ATOM   771  C CD  . GLU A 1 96  ? -22.171 -8.274  0.373   1.00 32.51 ? 299 GLU A CD  1 
ATOM   772  O OE1 . GLU A 1 96  ? -22.165 -7.090  0.766   1.00 44.89 ? 299 GLU A OE1 1 
ATOM   773  O OE2 . GLU A 1 96  ? -23.168 -8.827  -0.163  1.00 43.05 ? 299 GLU A OE2 1 
ATOM   774  N N   . LEU A 1 97  ? -18.168 -11.220 -0.553  1.00 10.50 ? 300 LEU A N   1 
ATOM   775  C CA  . LEU A 1 97  ? -17.870 -11.836 -1.869  1.00 10.76 ? 300 LEU A CA  1 
ATOM   776  C C   . LEU A 1 97  ? -19.221 -12.124 -2.521  1.00 11.96 ? 300 LEU A C   1 
ATOM   777  O O   . LEU A 1 97  ? -20.031 -12.888 -1.953  1.00 12.17 ? 300 LEU A O   1 
ATOM   778  C CB  . LEU A 1 97  ? -17.113 -13.129 -1.653  1.00 11.36 ? 300 LEU A CB  1 
ATOM   779  C CG  . LEU A 1 97  ? -16.642 -13.821 -2.921  1.00 12.37 ? 300 LEU A CG  1 
ATOM   780  C CD1 . LEU A 1 97  ? -15.642 -12.989 -3.675  1.00 13.06 ? 300 LEU A CD1 1 
ATOM   781  C CD2 . LEU A 1 97  ? -16.065 -15.156 -2.566  1.00 14.19 ? 300 LEU A CD2 1 
ATOM   782  N N   . CYS A 1 98  ? -19.438 -11.571 -3.698  1.00 12.41 ? 301 CYS A N   1 
ATOM   783  C CA  . CYS A 1 98  ? -20.589 -11.900 -4.537  1.00 13.95 ? 301 CYS A CA  1 
ATOM   784  C C   . CYS A 1 98  ? -20.106 -12.823 -5.657  1.00 14.32 ? 301 CYS A C   1 
ATOM   785  O O   . CYS A 1 98  ? -19.132 -12.474 -6.365  1.00 13.72 ? 301 CYS A O   1 
ATOM   786  C CB  . CYS A 1 98  ? -21.161 -10.635 -5.138  1.00 16.68 ? 301 CYS A CB  1 
ATOM   787  S SG  . CYS A 1 98  ? -22.606 -11.062 -6.119  1.00 26.71 ? 301 CYS A SG  1 
ATOM   788  N N   . MET A 1 99  ? -20.677 -13.991 -5.777  1.00 13.35 ? 302 MET A N   1 
ATOM   789  C CA  . MET A 1 99  ? -20.379 -14.906 -6.885  1.00 11.96 ? 302 MET A CA  1 
ATOM   790  C C   . MET A 1 99  ? -21.608 -14.991 -7.774  1.00 12.67 ? 302 MET A C   1 
ATOM   791  O O   . MET A 1 99  ? -22.693 -15.279 -7.292  1.00 14.36 ? 302 MET A O   1 
ATOM   792  C CB  . MET A 1 99  ? -19.966 -16.265 -6.316  1.00 14.31 ? 302 MET A CB  1 
ATOM   793  C CG  . MET A 1 99  ? -19.756 -17.357 -7.337  1.00 13.86 ? 302 MET A CG  1 
ATOM   794  S SD  . MET A 1 99  ? -21.385 -18.068 -7.941  1.00 18.97 ? 302 MET A SD  1 
ATOM   795  C CE  . MET A 1 99  ? -20.738 -19.415 -8.908  1.00 18.08 ? 302 MET A CE  1 
ATOM   796  N N   . GLU A 1 100 ? -21.444 -14.737 -9.062  1.00 11.10 ? 303 GLU A N   1 
ATOM   797  C CA  . GLU A 1 100 ? -22.531 -14.902 -10.023 1.00 12.76 ? 303 GLU A CA  1 
ATOM   798  C C   . GLU A 1 100 ? -22.040 -15.895 -11.043 1.00 11.88 ? 303 GLU A C   1 
ATOM   799  O O   . GLU A 1 100 ? -20.938 -15.659 -11.622 1.00 13.27 ? 303 GLU A O   1 
ATOM   800  C CB  . GLU A 1 100 ? -22.826 -13.564 -10.679 1.00 16.68 ? 303 GLU A CB  1 
ATOM   801  C CG  . GLU A 1 100 ? -23.544 -12.565 -9.773  1.00 24.00 ? 303 GLU A CG  1 
ATOM   802  C CD  . GLU A 1 100 ? -24.254 -11.466 -10.557 1.00 33.35 ? 303 GLU A CD  1 
ATOM   803  O OE1 . GLU A 1 100 ? -24.879 -11.780 -11.601 1.00 42.05 ? 303 GLU A OE1 1 
ATOM   804  O OE2 . GLU A 1 100 ? -24.156 -10.292 -10.145 1.00 42.82 ? 303 GLU A OE2 1 
ATOM   805  N N   . GLY A 1 101 ? -22.727 -16.991 -11.248 1.00 10.90 ? 304 GLY A N   1 
ATOM   806  C CA  . GLY A 1 101 ? -22.382 -17.978 -12.268 1.00 10.38 ? 304 GLY A CA  1 
ATOM   807  C C   . GLY A 1 101 ? -23.453 -18.098 -13.326 1.00 11.39 ? 304 GLY A C   1 
ATOM   808  O O   . GLY A 1 101 ? -24.633 -18.243 -12.971 1.00 12.26 ? 304 GLY A O   1 
ATOM   809  N N   . ARG A 1 102 ? -23.111 -17.983 -14.587 1.00 9.71  ? 305 ARG A N   1 
ATOM   810  C CA  . ARG A 1 102 ? -24.024 -18.127 -15.710 1.00 12.17 ? 305 ARG A CA  1 
ATOM   811  C C   . ARG A 1 102 ? -23.584 -19.335 -16.514 1.00 9.19  ? 305 ARG A C   1 
ATOM   812  O O   . ARG A 1 102 ? -22.382 -19.622 -16.558 1.00 10.15 ? 305 ARG A O   1 
ATOM   813  C CB  . ARG A 1 102 ? -23.941 -16.878 -16.591 1.00 16.77 ? 305 ARG A CB  1 
ATOM   814  C CG  . ARG A 1 102 ? -24.697 -15.647 -16.092 1.00 23.78 ? 305 ARG A CG  1 
ATOM   815  C CD  . ARG A 1 102 ? -24.904 -14.644 -17.230 1.00 32.11 ? 305 ARG A CD  1 
ATOM   816  N NE  . ARG A 1 102 ? -23.629 -14.382 -17.898 1.00 36.95 ? 305 ARG A NE  1 
ATOM   817  C CZ  . ARG A 1 102 ? -23.444 -14.266 -19.218 1.00 43.54 ? 305 ARG A CZ  1 
ATOM   818  N NH1 . ARG A 1 102 ? -24.470 -14.303 -20.060 1.00 46.03 ? 305 ARG A NH1 1 
ATOM   819  N NH2 . ARG A 1 102 ? -22.216 -14.082 -19.686 1.00 46.16 ? 305 ARG A NH2 1 
ATOM   820  N N   . GLY A 1 103 ? -24.473 -19.949 -17.249 1.00 9.12  ? 306 GLY A N   1 
ATOM   821  C CA  . GLY A 1 103 ? -24.079 -21.030 -18.161 1.00 8.40  ? 306 GLY A CA  1 
ATOM   822  C C   . GLY A 1 103 ? -23.756 -22.328 -17.438 1.00 9.35  ? 306 GLY A C   1 
ATOM   823  O O   . GLY A 1 103 ? -23.071 -23.185 -18.001 1.00 11.54 ? 306 GLY A O   1 
ATOM   824  N N   . ILE A 1 104 ? -24.294 -22.517 -16.261 1.00 9.20  ? 307 ILE A N   1 
ATOM   825  C CA  . ILE A 1 104 ? -24.108 -23.782 -15.514 1.00 10.15 ? 307 ILE A CA  1 
ATOM   826  C C   . ILE A 1 104 ? -25.109 -24.786 -16.064 1.00 9.93  ? 307 ILE A C   1 
ATOM   827  O O   . ILE A 1 104 ? -26.301 -24.471 -16.135 1.00 10.25 ? 307 ILE A O   1 
ATOM   828  C CB  . ILE A 1 104 ? -24.311 -23.552 -14.022 1.00 10.61 ? 307 ILE A CB  1 
ATOM   829  C CG1 . ILE A 1 104 ? -23.240 -22.614 -13.439 1.00 11.57 ? 307 ILE A CG1 1 
ATOM   830  C CG2 . ILE A 1 104 ? -24.354 -24.875 -13.308 1.00 10.50 ? 307 ILE A CG2 1 
ATOM   831  C CD1 . ILE A 1 104 ? -23.681 -21.895 -12.220 1.00 15.67 ? 307 ILE A CD1 1 
ATOM   832  N N   . PRO A 1 105 ? -24.686 -25.989 -16.463 1.00 9.40  ? 308 PRO A N   1 
ATOM   833  C CA  . PRO A 1 105 ? -25.659 -26.953 -16.966 1.00 10.30 ? 308 PRO A CA  1 
ATOM   834  C C   . PRO A 1 105 ? -26.740 -27.099 -15.899 1.00 11.51 ? 308 PRO A C   1 
ATOM   835  O O   . PRO A 1 105 ? -26.435 -27.341 -14.740 1.00 11.86 ? 308 PRO A O   1 
ATOM   836  C CB  . PRO A 1 105 ? -24.820 -28.194 -17.180 1.00 10.56 ? 308 PRO A CB  1 
ATOM   837  C CG  . PRO A 1 105 ? -23.428 -27.720 -17.451 1.00 10.24 ? 308 PRO A CG  1 
ATOM   838  C CD  . PRO A 1 105 ? -23.312 -26.506 -16.542 1.00 10.01 ? 308 PRO A CD  1 
ATOM   839  N N   . ALA A 1 106 ? -27.996 -27.104 -16.337 1.00 12.88 ? 309 ALA A N   1 
ATOM   840  C CA  . ALA A 1 106 ? -29.117 -27.100 -15.388 1.00 15.17 ? 309 ALA A CA  1 
ATOM   841  C C   . ALA A 1 106 ? -29.089 -28.330 -14.486 1.00 15.79 ? 309 ALA A C   1 
ATOM   842  O O   . ALA A 1 106 ? -29.355 -28.170 -13.285 1.00 17.24 ? 309 ALA A O   1 
ATOM   843  C CB  . ALA A 1 106 ? -30.411 -26.919 -16.124 1.00 17.34 ? 309 ALA A CB  1 
ATOM   844  N N   . PRO A 1 107 ? -28.750 -29.547 -14.968 1.00 16.00 ? 310 PRO A N   1 
ATOM   845  C CA  . PRO A 1 107 ? -28.722 -30.735 -14.118 1.00 18.74 ? 310 PRO A CA  1 
ATOM   846  C C   . PRO A 1 107 ? -27.668 -30.587 -13.014 1.00 20.26 ? 310 PRO A C   1 
ATOM   847  O O   . PRO A 1 107 ? -27.752 -31.234 -11.940 1.00 21.48 ? 310 PRO A O   1 
ATOM   848  C CB  . PRO A 1 107 ? -28.395 -31.911 -15.035 1.00 19.63 ? 310 PRO A CB  1 
ATOM   849  C CG  . PRO A 1 107 ? -28.753 -31.405 -16.437 1.00 20.99 ? 310 PRO A CG  1 
ATOM   850  C CD  . PRO A 1 107 ? -28.482 -29.909 -16.374 1.00 18.42 ? 310 PRO A CD  1 
ATOM   851  N N   . GLU A 1 108 ? -26.669 -29.732 -13.292 1.00 15.87 ? 311 GLU A N   1 
ATOM   852  C CA  . GLU A 1 108 ? -25.492 -29.556 -12.407 1.00 16.28 ? 311 GLU A CA  1 
ATOM   853  C C   . GLU A 1 108 ? -25.692 -28.395 -11.433 1.00 14.80 ? 311 GLU A C   1 
ATOM   854  O O   . GLU A 1 108 ? -24.706 -28.097 -10.711 1.00 14.10 ? 311 GLU A O   1 
ATOM   855  C CB  . GLU A 1 108 ? -24.238 -29.359 -13.258 1.00 16.20 ? 311 GLU A CB  1 
ATOM   856  C CG  . GLU A 1 108 ? -23.982 -30.536 -14.195 1.00 19.90 ? 311 GLU A CG  1 
ATOM   857  C CD  . GLU A 1 108 ? -23.054 -31.630 -13.700 1.00 20.21 ? 311 GLU A CD  1 
ATOM   858  O OE1 . GLU A 1 108 ? -22.313 -31.395 -12.752 1.00 21.45 ? 311 GLU A OE1 1 
ATOM   859  O OE2 . GLU A 1 108 ? -22.914 -32.629 -14.421 1.00 28.28 ? 311 GLU A OE2 1 
ATOM   860  N N   . GLU A 1 109 ? -26.874 -27.806 -11.306 1.00 14.61 ? 312 GLU A N   1 
ATOM   861  C CA  . GLU A 1 109 ? -27.080 -26.614 -10.473 1.00 15.84 ? 312 GLU A CA  1 
ATOM   862  C C   . GLU A 1 109 ? -26.710 -26.937 -9.031  1.00 17.57 ? 312 GLU A C   1 
ATOM   863  O O   . GLU A 1 109 ? -25.953 -26.186 -8.391  1.00 15.21 ? 312 GLU A O   1 
ATOM   864  C CB  . GLU A 1 109 ? -28.509 -26.101 -10.520 1.00 16.86 ? 312 GLU A CB  1 
ATOM   865  C CG  . GLU A 1 109 ? -28.642 -24.825 -9.739  1.00 19.27 ? 312 GLU A CG  1 
ATOM   866  C CD  . GLU A 1 109 ? -30.022 -24.220 -9.684  1.00 24.24 ? 312 GLU A CD  1 
ATOM   867  O OE1 . GLU A 1 109 ? -30.875 -24.623 -10.503 1.00 28.26 ? 312 GLU A OE1 1 
ATOM   868  O OE2 . GLU A 1 109 ? -30.224 -23.349 -8.827  1.00 29.33 ? 312 GLU A OE2 1 
ATOM   869  N N   . GLU A 1 110 ? -27.259 -28.002 -8.462  1.00 16.95 ? 313 GLU A N   1 
ATOM   870  C CA  . GLU A 1 110 ? -27.041 -28.210 -7.009  1.00 18.46 ? 313 GLU A CA  1 
ATOM   871  C C   . GLU A 1 110 ? -25.607 -28.635 -6.745  1.00 15.61 ? 313 GLU A C   1 
ATOM   872  O O   . GLU A 1 110 ? -25.045 -28.153 -5.775  1.00 14.02 ? 313 GLU A O   1 
ATOM   873  C CB  . GLU A 1 110 ? -28.044 -29.221 -6.459  1.00 22.01 ? 313 GLU A CB  1 
ATOM   874  C CG  . GLU A 1 110 ? -29.385 -28.582 -6.189  1.00 30.27 ? 313 GLU A CG  1 
ATOM   875  C CD  . GLU A 1 110 ? -29.282 -27.373 -5.271  1.00 35.26 ? 313 GLU A CD  1 
ATOM   876  O OE1 . GLU A 1 110 ? -29.726 -26.281 -5.696  1.00 39.14 ? 313 GLU A OE1 1 
ATOM   877  O OE2 . GLU A 1 110 ? -28.673 -27.513 -4.169  1.00 39.55 ? 313 GLU A OE2 1 
ATOM   878  N N   . ARG A 1 111 ? -24.996 -29.439 -7.600  1.00 14.65 ? 314 ARG A N   1 
ATOM   879  C CA  . ARG A 1 111 ? -23.587 -29.846 -7.456  1.00 14.33 ? 314 ARG A CA  1 
ATOM   880  C C   . ARG A 1 111 ? -22.726 -28.581 -7.471  1.00 13.89 ? 314 ARG A C   1 
ATOM   881  O O   . ARG A 1 111 ? -21.747 -28.450 -6.685  1.00 14.31 ? 314 ARG A O   1 
ATOM   882  C CB  . ARG A 1 111 ? -23.172 -30.819 -8.558  1.00 16.68 ? 314 ARG A CB  1 
ATOM   883  C CG  . ARG A 1 111 ? -21.705 -31.195 -8.481  1.00 17.19 ? 314 ARG A CG  1 
ATOM   884  C CD  . ARG A 1 111 ? -21.178 -31.749 -9.760  1.00 18.81 ? 314 ARG A CD  1 
ATOM   885  N NE  . ARG A 1 111 ? -19.833 -32.270 -9.689  1.00 21.31 ? 314 ARG A NE  1 
ATOM   886  C CZ  . ARG A 1 111 ? -19.178 -32.680 -10.753 1.00 19.57 ? 314 ARG A CZ  1 
ATOM   887  N NH1 . ARG A 1 111 ? -19.762 -32.601 -11.937 1.00 19.63 ? 314 ARG A NH1 1 
ATOM   888  N NH2 . ARG A 1 111 ? -17.965 -33.149 -10.633 1.00 21.59 ? 314 ARG A NH2 1 
ATOM   889  N N   . THR A 1 112 ? -23.076 -27.646 -8.338  1.00 13.30 ? 315 THR A N   1 
ATOM   890  C CA  . THR A 1 112 ? -22.217 -26.449 -8.512  1.00 12.97 ? 315 THR A CA  1 
ATOM   891  C C   . THR A 1 112 ? -22.458 -25.523 -7.330  1.00 13.52 ? 315 THR A C   1 
ATOM   892  O O   . THR A 1 112 ? -21.456 -24.975 -6.749  1.00 12.54 ? 315 THR A O   1 
ATOM   893  C CB  . THR A 1 112 ? -22.493 -25.788 -9.862  1.00 12.76 ? 315 THR A CB  1 
ATOM   894  O OG1 . THR A 1 112 ? -22.251 -26.751 -10.883 1.00 12.44 ? 315 THR A OG1 1 
ATOM   895  C CG2 . THR A 1 112 ? -21.617 -24.573 -10.069 1.00 13.27 ? 315 THR A CG2 1 
ATOM   896  N N   . ARG A 1 113 ? -23.688 -25.361 -6.886  1.00 13.83 ? 316 ARG A N   1 
ATOM   897  C CA  . ARG A 1 113 ? -23.959 -24.510 -5.714  1.00 15.76 ? 316 ARG A CA  1 
ATOM   898  C C   . ARG A 1 113 ? -23.240 -25.095 -4.498  1.00 16.08 ? 316 ARG A C   1 
ATOM   899  O O   . ARG A 1 113 ? -22.573 -24.297 -3.759  1.00 14.21 ? 316 ARG A O   1 
ATOM   900  C CB  . ARG A 1 113 ? -25.446 -24.485 -5.375  1.00 19.03 ? 316 ARG A CB  1 
ATOM   901  C CG  . ARG A 1 113 ? -26.327 -23.626 -6.246  1.00 20.82 ? 316 ARG A CG  1 
ATOM   902  C CD  . ARG A 1 113 ? -27.788 -23.709 -5.730  1.00 24.32 ? 316 ARG A CD  1 
ATOM   903  N NE  . ARG A 1 113 ? -28.627 -22.839 -6.528  1.00 28.40 ? 316 ARG A NE  1 
ATOM   904  C CZ  . ARG A 1 113 ? -28.796 -21.545 -6.320  1.00 32.30 ? 316 ARG A CZ  1 
ATOM   905  N NH1 . ARG A 1 113 ? -28.179 -20.926 -5.318  1.00 31.46 ? 316 ARG A NH1 1 
ATOM   906  N NH2 . ARG A 1 113 ? -29.589 -20.869 -7.134  1.00 35.29 ? 316 ARG A NH2 1 
ATOM   907  N N   . GLN A 1 114 ? -23.429 -26.393 -4.251  1.00 16.38 ? 317 GLN A N   1 
ATOM   908  C CA  . GLN A 1 114 ? -22.837 -27.055 -3.054  1.00 21.30 ? 317 GLN A CA  1 
ATOM   909  C C   . GLN A 1 114 ? -21.323 -27.055 -3.195  1.00 19.38 ? 317 GLN A C   1 
ATOM   910  O O   . GLN A 1 114 ? -20.636 -26.899 -2.138  1.00 23.60 ? 317 GLN A O   1 
ATOM   911  C CB  . GLN A 1 114 ? -23.373 -28.479 -2.879  1.00 22.94 ? 317 GLN A CB  1 
ATOM   912  C CG  . GLN A 1 114 ? -24.836 -28.475 -2.504  1.00 28.84 ? 317 GLN A CG  1 
ATOM   913  C CD  . GLN A 1 114 ? -25.376 -29.856 -2.223  1.00 33.91 ? 317 GLN A CD  1 
ATOM   914  O OE1 . GLN A 1 114 ? -25.028 -30.830 -2.889  1.00 43.77 ? 317 GLN A OE1 1 
ATOM   915  N NE2 . GLN A 1 114 ? -26.268 -29.935 -1.253  1.00 41.86 ? 317 GLN A NE2 1 
ATOM   916  N N   . GLY A 1 115 ? -20.784 -27.240 -4.402  1.00 16.94 ? 318 GLY A N   1 
ATOM   917  C CA  . GLY A 1 115 ? -19.333 -27.229 -4.654  1.00 17.85 ? 318 GLY A CA  1 
ATOM   918  C C   . GLY A 1 115 ? -18.752 -25.883 -4.254  1.00 16.60 ? 318 GLY A C   1 
ATOM   919  O O   . GLY A 1 115 ? -17.748 -25.838 -3.495  1.00 16.43 ? 318 GLY A O   1 
ATOM   920  N N   . TRP A 1 116 ? -19.391 -24.783 -4.661  1.00 14.45 ? 319 TRP A N   1 
ATOM   921  C CA  . TRP A 1 116 ? -18.941 -23.411 -4.338  1.00 13.34 ? 319 TRP A CA  1 
ATOM   922  C C   . TRP A 1 116 ? -19.069 -23.166 -2.835  1.00 15.63 ? 319 TRP A C   1 
ATOM   923  O O   . TRP A 1 116 ? -18.116 -22.683 -2.181  1.00 14.75 ? 319 TRP A O   1 
ATOM   924  C CB  . TRP A 1 116 ? -19.673 -22.361 -5.174  1.00 13.45 ? 319 TRP A CB  1 
ATOM   925  C CG  . TRP A 1 116 ? -18.979 -22.181 -6.462  1.00 14.22 ? 319 TRP A CG  1 
ATOM   926  C CD1 . TRP A 1 116 ? -19.055 -22.963 -7.577  1.00 14.29 ? 319 TRP A CD1 1 
ATOM   927  C CD2 . TRP A 1 116 ? -17.920 -21.244 -6.681  1.00 13.46 ? 319 TRP A CD2 1 
ATOM   928  N NE1 . TRP A 1 116 ? -18.140 -22.538 -8.510  1.00 14.75 ? 319 TRP A NE1 1 
ATOM   929  C CE2 . TRP A 1 116 ? -17.404 -21.509 -7.966  1.00 13.58 ? 319 TRP A CE2 1 
ATOM   930  C CE3 . TRP A 1 116 ? -17.346 -20.249 -5.883  1.00 13.95 ? 319 TRP A CE3 1 
ATOM   931  C CZ2 . TRP A 1 116 ? -16.370 -20.764 -8.498  1.00 13.91 ? 319 TRP A CZ2 1 
ATOM   932  C CZ3 . TRP A 1 116 ? -16.318 -19.514 -6.432  1.00 14.23 ? 319 TRP A CZ3 1 
ATOM   933  C CH2 . TRP A 1 116 ? -15.815 -19.799 -7.679  1.00 14.17 ? 319 TRP A CH2 1 
ATOM   934  N N   . GLN A 1 117 ? -20.204 -23.480 -2.263  1.00 15.32 ? 320 GLN A N   1 
ATOM   935  C CA  . GLN A 1 117 ? -20.423 -23.233 -0.826  1.00 18.61 ? 320 GLN A CA  1 
ATOM   936  C C   . GLN A 1 117 ? -19.434 -24.053 -0.010  1.00 19.33 ? 320 GLN A C   1 
ATOM   937  O O   . GLN A 1 117 ? -18.907 -23.511 0.989   1.00 19.37 ? 320 GLN A O   1 
ATOM   938  C CB  . GLN A 1 117 ? -21.865 -23.586 -0.453  1.00 21.14 ? 320 GLN A CB  1 
ATOM   939  C CG  . GLN A 1 117 ? -22.279 -23.091 0.926   1.00 28.15 ? 320 GLN A CG  1 
ATOM   940  C CD  . GLN A 1 117 ? -22.447 -21.589 0.939   1.00 31.89 ? 320 GLN A CD  1 
ATOM   941  O OE1 . GLN A 1 117 ? -23.170 -21.022 0.114   1.00 37.03 ? 320 GLN A OE1 1 
ATOM   942  N NE2 . GLN A 1 117 ? -21.786 -20.932 1.886   1.00 34.01 ? 320 GLN A NE2 1 
ATOM   943  N N   . ARG A 1 118 ? -19.220 -25.322 -0.311  1.00 17.28 ? 321 ARG A N   1 
ATOM   944  C CA  . ARG A 1 118 ? -18.450 -26.219 0.584   1.00 21.09 ? 321 ARG A CA  1 
ATOM   945  C C   . ARG A 1 118 ? -16.966 -26.139 0.210   1.00 19.27 ? 321 ARG A C   1 
ATOM   946  O O   . ARG A 1 118 ? -16.118 -25.877 1.106   1.00 20.16 ? 321 ARG A O   1 
ATOM   947  C CB  . ARG A 1 118 ? -18.948 -27.668 0.480   1.00 24.93 ? 321 ARG A CB  1 
ATOM   948  C CG  . ARG A 1 118 ? -18.243 -28.605 1.444   1.00 33.83 ? 321 ARG A CG  1 
ATOM   949  C CD  . ARG A 1 118 ? -18.557 -30.066 1.191   1.00 37.74 ? 321 ARG A CD  1 
ATOM   950  N NE  . ARG A 1 118 ? -19.827 -30.427 1.808   1.00 42.46 ? 321 ARG A NE  1 
ATOM   951  C CZ  . ARG A 1 118 ? -20.068 -31.529 2.517   1.00 43.02 ? 321 ARG A CZ  1 
ATOM   952  N NH1 . ARG A 1 118 ? -19.123 -32.435 2.721   1.00 47.33 ? 321 ARG A NH1 1 
ATOM   953  N NH2 . ARG A 1 118 ? -21.275 -31.724 3.019   1.00 46.65 ? 321 ARG A NH2 1 
ATOM   954  N N   . TYR A 1 119 ? -16.587 -26.273 -1.053  1.00 17.34 ? 322 TYR A N   1 
ATOM   955  C CA  . TYR A 1 119 ? -15.173 -26.431 -1.423  1.00 17.99 ? 322 TYR A CA  1 
ATOM   956  C C   . TYR A 1 119 ? -14.464 -25.092 -1.594  1.00 17.27 ? 322 TYR A C   1 
ATOM   957  O O   . TYR A 1 119 ? -13.209 -25.046 -1.336  1.00 18.17 ? 322 TYR A O   1 
ATOM   958  C CB  . TYR A 1 119 ? -15.021 -27.366 -2.610  1.00 20.84 ? 322 TYR A CB  1 
ATOM   959  C CG  . TYR A 1 119 ? -15.486 -28.750 -2.255  1.00 25.50 ? 322 TYR A CG  1 
ATOM   960  C CD1 . TYR A 1 119 ? -14.764 -29.573 -1.398  1.00 28.82 ? 322 TYR A CD1 1 
ATOM   961  C CD2 . TYR A 1 119 ? -16.708 -29.208 -2.711  1.00 25.47 ? 322 TYR A CD2 1 
ATOM   962  C CE1 . TYR A 1 119 ? -15.232 -30.836 -1.054  1.00 28.87 ? 322 TYR A CE1 1 
ATOM   963  C CE2 . TYR A 1 119 ? -17.178 -30.469 -2.392  1.00 28.23 ? 322 TYR A CE2 1 
ATOM   964  C CZ  . TYR A 1 119 ? -16.439 -31.288 -1.561  1.00 31.28 ? 322 TYR A CZ  1 
ATOM   965  O OH  . TYR A 1 119 ? -16.930 -32.529 -1.247  1.00 38.33 ? 322 TYR A OH  1 
ATOM   966  N N   . TYR A 1 120 ? -15.164 -24.036 -1.979  1.00 12.68 ? 323 TYR A N   1 
ATOM   967  C CA  . TYR A 1 120 ? -14.575 -22.685 -1.985  1.00 13.01 ? 323 TYR A CA  1 
ATOM   968  C C   . TYR A 1 120 ? -14.833 -22.020 -0.637  1.00 13.21 ? 323 TYR A C   1 
ATOM   969  O O   . TYR A 1 120 ? -13.865 -21.777 0.090   1.00 12.51 ? 323 TYR A O   1 
ATOM   970  C CB  . TYR A 1 120 ? -15.047 -21.829 -3.160  1.00 12.10 ? 323 TYR A CB  1 
ATOM   971  C CG  . TYR A 1 120 ? -14.395 -22.090 -4.500  1.00 11.82 ? 323 TYR A CG  1 
ATOM   972  C CD1 . TYR A 1 120 ? -13.151 -21.613 -4.839  1.00 11.58 ? 323 TYR A CD1 1 
ATOM   973  C CD2 . TYR A 1 120 ? -15.096 -22.796 -5.461  1.00 12.18 ? 323 TYR A CD2 1 
ATOM   974  C CE1 . TYR A 1 120 ? -12.630 -21.777 -6.106  1.00 12.47 ? 323 TYR A CE1 1 
ATOM   975  C CE2 . TYR A 1 120 ? -14.592 -22.998 -6.730  1.00 12.15 ? 323 TYR A CE2 1 
ATOM   976  C CZ  . TYR A 1 120 ? -13.345 -22.516 -7.060  1.00 11.29 ? 323 TYR A CZ  1 
ATOM   977  O OH  . TYR A 1 120 ? -12.832 -22.673 -8.315  1.00 12.77 ? 323 TYR A OH  1 
ATOM   978  N N   . PHE A 1 121 ? -16.075 -21.692 -0.302  1.00 12.48 ? 324 PHE A N   1 
ATOM   979  C CA  . PHE A 1 121 ? -16.354 -20.747 0.809   1.00 12.21 ? 324 PHE A CA  1 
ATOM   980  C C   . PHE A 1 121 ? -16.007 -21.402 2.140   1.00 12.41 ? 324 PHE A C   1 
ATOM   981  O O   . PHE A 1 121 ? -15.188 -20.812 2.882   1.00 10.71 ? 324 PHE A O   1 
ATOM   982  C CB  . PHE A 1 121 ? -17.813 -20.295 0.774   1.00 13.02 ? 324 PHE A CB  1 
ATOM   983  C CG  . PHE A 1 121 ? -18.205 -19.502 -0.445  1.00 15.12 ? 324 PHE A CG  1 
ATOM   984  C CD1 . PHE A 1 121 ? -17.276 -19.042 -1.351  1.00 16.03 ? 324 PHE A CD1 1 
ATOM   985  C CD2 . PHE A 1 121 ? -19.549 -19.319 -0.705  1.00 18.91 ? 324 PHE A CD2 1 
ATOM   986  C CE1 . PHE A 1 121 ? -17.671 -18.375 -2.507  1.00 17.19 ? 324 PHE A CE1 1 
ATOM   987  C CE2 . PHE A 1 121 ? -19.949 -18.600 -1.825  1.00 19.57 ? 324 PHE A CE2 1 
ATOM   988  C CZ  . PHE A 1 121 ? -19.010 -18.126 -2.701  1.00 17.86 ? 324 PHE A CZ  1 
ATOM   989  N N   . GLU A 1 122 ? -16.558 -22.588 2.442   1.00 13.46 ? 325 GLU A N   1 
ATOM   990  C CA  . GLU A 1 122 ? -16.263 -23.242 3.744   1.00 14.21 ? 325 GLU A CA  1 
ATOM   991  C C   . GLU A 1 122 ? -14.797 -23.657 3.759   1.00 13.37 ? 325 GLU A C   1 
ATOM   992  O O   . GLU A 1 122 ? -14.148 -23.504 4.762   1.00 12.84 ? 325 GLU A O   1 
ATOM   993  C CB  . GLU A 1 122 ? -17.178 -24.442 4.002   1.00 17.71 ? 325 GLU A CB  1 
ATOM   994  C CG  . GLU A 1 122 ? -18.612 -24.038 4.250   1.00 22.31 ? 325 GLU A CG  1 
ATOM   995  C CD  . GLU A 1 122 ? -19.620 -25.175 4.405   1.00 28.58 ? 325 GLU A CD  1 
ATOM   996  O OE1 . GLU A 1 122 ? -20.821 -24.863 4.548   1.00 35.05 ? 325 GLU A OE1 1 
ATOM   997  O OE2 . GLU A 1 122 ? -19.205 -26.354 4.359   1.00 29.76 ? 325 GLU A OE2 1 
ATOM   998  N N   . GLY A 1 123 ? -14.261 -24.136 2.647   1.00 11.93 ? 326 GLY A N   1 
ATOM   999  C CA  . GLY A 1 123 ? -12.876 -24.567 2.566   1.00 11.68 ? 326 GLY A CA  1 
ATOM   1000 C C   . GLY A 1 123 ? -11.932 -23.421 2.878   1.00 11.50 ? 326 GLY A C   1 
ATOM   1001 O O   . GLY A 1 123 ? -10.961 -23.546 3.653   1.00 11.64 ? 326 GLY A O   1 
ATOM   1002 N N   . ILE A 1 124 ? -12.154 -22.281 2.228   1.00 10.29 ? 327 ILE A N   1 
ATOM   1003 C CA  . ILE A 1 124 ? -11.323 -21.085 2.492   1.00 9.81  ? 327 ILE A CA  1 
ATOM   1004 C C   . ILE A 1 124 ? -11.453 -20.666 3.941   1.00 10.77 ? 327 ILE A C   1 
ATOM   1005 O O   . ILE A 1 124 ? -10.438 -20.401 4.593   1.00 9.18  ? 327 ILE A O   1 
ATOM   1006 C CB  . ILE A 1 124 ? -11.690 -19.945 1.518   1.00 9.54  ? 327 ILE A CB  1 
ATOM   1007 C CG1 . ILE A 1 124 ? -11.170 -20.236 0.109   1.00 9.17  ? 327 ILE A CG1 1 
ATOM   1008 C CG2 . ILE A 1 124 ? -11.182 -18.614 2.047   1.00 9.28  ? 327 ILE A CG2 1 
ATOM   1009 C CD1 . ILE A 1 124 ? -11.733 -19.310 -0.956  1.00 10.33 ? 327 ILE A CD1 1 
ATOM   1010 N N   . LYS A 1 125 ? -12.660 -20.574 4.463   1.00 11.27 ? 328 LYS A N   1 
ATOM   1011 C CA  . LYS A 1 125 ? -12.848 -20.073 5.851   1.00 10.81 ? 328 LYS A CA  1 
ATOM   1012 C C   . LYS A 1 125 ? -12.137 -21.018 6.822   1.00 10.76 ? 328 LYS A C   1 
ATOM   1013 O O   . LYS A 1 125 ? -11.507 -20.534 7.781   1.00 11.90 ? 328 LYS A O   1 
ATOM   1014 C CB  . LYS A 1 125 ? -14.328 -19.925 6.185   1.00 10.61 ? 328 LYS A CB  1 
ATOM   1015 C CG  . LYS A 1 125 ? -14.953 -18.711 5.594   1.00 11.10 ? 328 LYS A CG  1 
ATOM   1016 C CD  . LYS A 1 125 ? -16.422 -18.600 5.896   1.00 11.88 ? 328 LYS A CD  1 
ATOM   1017 C CE  . LYS A 1 125 ? -16.947 -17.270 5.435   1.00 13.90 ? 328 LYS A CE  1 
ATOM   1018 N NZ  . LYS A 1 125 ? -18.377 -17.092 5.812   1.00 16.17 ? 328 LYS A NZ  1 
ATOM   1019 N N   . GLN A 1 126 ? -12.237 -22.320 6.627   1.00 10.83 ? 329 GLN A N   1 
ATOM   1020 C CA  . GLN A 1 126 ? -11.678 -23.324 7.582   1.00 12.76 ? 329 GLN A CA  1 
ATOM   1021 C C   . GLN A 1 126 ? -10.165 -23.372 7.438   1.00 12.23 ? 329 GLN A C   1 
ATOM   1022 O O   . GLN A 1 126 ? -9.482  -23.528 8.453   1.00 15.39 ? 329 GLN A O   1 
ATOM   1023 C CB  . GLN A 1 126 ? -12.299 -24.686 7.335   1.00 16.43 ? 329 GLN A CB  1 
ATOM   1024 C CG  . GLN A 1 126 ? -13.774 -24.694 7.717   1.00 21.60 ? 329 GLN A CG  1 
ATOM   1025 C CD  . GLN A 1 126 ? -14.053 -24.946 9.177   1.00 29.51 ? 329 GLN A CD  1 
ATOM   1026 O OE1 . GLN A 1 126 ? -13.150 -25.045 10.016  1.00 34.00 ? 329 GLN A OE1 1 
ATOM   1027 N NE2 . GLN A 1 126 ? -15.332 -25.111 9.483   1.00 33.37 ? 329 GLN A NE2 1 
ATOM   1028 N N   . THR A 1 127 ? -9.627  -23.251 6.225   1.00 11.25 ? 330 THR A N   1 
ATOM   1029 C CA  . THR A 1 127 ? -8.164  -23.310 6.007   1.00 11.46 ? 330 THR A CA  1 
ATOM   1030 C C   . THR A 1 127 ? -7.477  -22.083 6.598   1.00 11.74 ? 330 THR A C   1 
ATOM   1031 O O   . THR A 1 127 ? -6.446  -22.236 7.270   1.00 12.33 ? 330 THR A O   1 
ATOM   1032 C CB  . THR A 1 127 ? -7.801  -23.487 4.527   1.00 11.95 ? 330 THR A CB  1 
ATOM   1033 O OG1 . THR A 1 127 ? -8.385  -24.718 4.081   1.00 12.91 ? 330 THR A OG1 1 
ATOM   1034 C CG2 . THR A 1 127 ? -6.300  -23.454 4.309   1.00 11.13 ? 330 THR A CG2 1 
ATOM   1035 N N   . PHE A 1 128 ? -8.031  -20.911 6.352   1.00 10.67 ? 331 PHE A N   1 
ATOM   1036 C CA  . PHE A 1 128 ? -7.365  -19.630 6.661   1.00 10.34 ? 331 PHE A CA  1 
ATOM   1037 C C   . PHE A 1 128 ? -7.862  -18.951 7.933   1.00 11.50 ? 331 PHE A C   1 
ATOM   1038 O O   . PHE A 1 128 ? -7.211  -17.995 8.369   1.00 13.32 ? 331 PHE A O   1 
ATOM   1039 C CB  . PHE A 1 128 ? -7.456  -18.703 5.455   1.00 10.64 ? 331 PHE A CB  1 
ATOM   1040 C CG  . PHE A 1 128 ? -6.723  -19.248 4.264   1.00 10.86 ? 331 PHE A CG  1 
ATOM   1041 C CD1 . PHE A 1 128 ? -5.333  -19.236 4.205   1.00 11.47 ? 331 PHE A CD1 1 
ATOM   1042 C CD2 . PHE A 1 128 ? -7.426  -19.776 3.192   1.00 10.85 ? 331 PHE A CD2 1 
ATOM   1043 C CE1 . PHE A 1 128 ? -4.686  -19.764 3.092   1.00 13.23 ? 331 PHE A CE1 1 
ATOM   1044 C CE2 . PHE A 1 128 ? -6.772  -20.338 2.100   1.00 11.40 ? 331 PHE A CE2 1 
ATOM   1045 C CZ  . PHE A 1 128 ? -5.408  -20.333 2.062   1.00 11.40 ? 331 PHE A CZ  1 
ATOM   1046 N N   . GLY A 1 129 ? -8.966  -19.437 8.493   1.00 11.36 ? 332 GLY A N   1 
ATOM   1047 C CA  . GLY A 1 129 ? -9.596  -18.841 9.691   1.00 10.96 ? 332 GLY A CA  1 
ATOM   1048 C C   . GLY A 1 129 ? -10.242 -17.508 9.391   1.00 11.09 ? 332 GLY A C   1 
ATOM   1049 O O   . GLY A 1 129 ? -10.014 -16.492 10.061  1.00 12.03 ? 332 GLY A O   1 
ATOM   1050 N N   . TYR A 1 130 ? -11.152 -17.502 8.419   1.00 10.57 ? 333 TYR A N   1 
ATOM   1051 C CA  . TYR A 1 130 ? -11.836 -16.242 8.006   1.00 11.05 ? 333 TYR A CA  1 
ATOM   1052 C C   . TYR A 1 130 ? -13.281 -16.184 8.508   1.00 12.23 ? 333 TYR A C   1 
ATOM   1053 O O   . TYR A 1 130 ? -14.103 -15.575 7.851   1.00 12.96 ? 333 TYR A O   1 
ATOM   1054 C CB  . TYR A 1 130 ? -11.795 -16.063 6.491   1.00 12.16 ? 333 TYR A CB  1 
ATOM   1055 C CG  . TYR A 1 130 ? -10.439 -15.838 5.874   1.00 12.32 ? 333 TYR A CG  1 
ATOM   1056 C CD1 . TYR A 1 130 ? -9.358  -15.399 6.616   1.00 11.94 ? 333 TYR A CD1 1 
ATOM   1057 C CD2 . TYR A 1 130 ? -10.251 -16.052 4.522   1.00 12.16 ? 333 TYR A CD2 1 
ATOM   1058 C CE1 . TYR A 1 130 ? -8.122  -15.188 6.031   1.00 12.35 ? 333 TYR A CE1 1 
ATOM   1059 C CE2 . TYR A 1 130 ? -9.027  -15.834 3.920   1.00 12.87 ? 333 TYR A CE2 1 
ATOM   1060 C CZ  . TYR A 1 130 ? -7.960  -15.397 4.676   1.00 11.76 ? 333 TYR A CZ  1 
ATOM   1061 O OH  . TYR A 1 130 ? -6.754  -15.190 4.084   1.00 15.70 ? 333 TYR A OH  1 
ATOM   1062 N N   . GLY A 1 131 ? -13.544 -16.845 9.617   1.00 13.38 ? 334 GLY A N   1 
ATOM   1063 C CA  . GLY A 1 131 ? -14.842 -16.734 10.292  1.00 13.86 ? 334 GLY A CA  1 
ATOM   1064 C C   . GLY A 1 131 ? -15.702 -17.933 10.035  1.00 16.60 ? 334 GLY A C   1 
ATOM   1065 O O   . GLY A 1 131 ? -15.345 -18.818 9.253   1.00 17.94 ? 334 GLY A O   1 
ATOM   1066 N N   . ALA A 1 132 ? -16.854 -17.978 10.690  1.00 17.78 ? 335 ALA A N   1 
ATOM   1067 C CA  . ALA A 1 132 ? -17.834 -19.029 10.434  1.00 20.84 ? 335 ALA A CA  1 
ATOM   1068 C C   . ALA A 1 132 ? -18.536 -18.756 9.097   1.00 23.67 ? 335 ALA A C   1 
ATOM   1069 O O   . ALA A 1 132 ? -18.985 -19.795 8.589   1.00 29.93 ? 335 ALA A O   1 
ATOM   1070 C CB  . ALA A 1 132 ? -18.789 -19.097 11.609  1.00 22.02 ? 335 ALA A CB  1 
HETATM 1071 O O   . HOH B 2 .   ? -8.104  -26.887 5.322   1.00 28.77 ? 401 HOH A O   1 
HETATM 1072 O O   . HOH B 2 .   ? -4.320  -10.243 -10.493 1.00 30.94 ? 402 HOH A O   1 
HETATM 1073 O O   . HOH B 2 .   ? -22.953 -18.447 0.036   1.00 31.36 ? 403 HOH A O   1 
HETATM 1074 O O   . HOH B 2 .   ? -11.093 -30.218 -2.629  1.00 21.88 ? 404 HOH A O   1 
HETATM 1075 O O   . HOH B 2 .   ? -12.058 -27.144 -0.133  1.00 22.98 ? 405 HOH A O   1 
HETATM 1076 O O   . HOH B 2 .   ? -4.409  -27.975 3.305   1.00 31.60 ? 406 HOH A O   1 
HETATM 1077 O O   . HOH B 2 .   ? 3.483   -24.391 -6.578  1.00 24.67 ? 407 HOH A O   1 
HETATM 1078 O O   . HOH B 2 .   ? -24.928 -22.758 -0.730  1.00 32.63 ? 408 HOH A O   1 
HETATM 1079 O O   . HOH B 2 .   ? 2.589   -18.138 -6.371  1.00 25.19 ? 409 HOH A O   1 
HETATM 1080 O O   . HOH B 2 .   ? 1.532   -23.226 -12.729 1.00 28.88 ? 410 HOH A O   1 
HETATM 1081 O O   . HOH B 2 .   ? -4.956  -32.064 -8.280  1.00 25.78 ? 411 HOH A O   1 
HETATM 1082 O O   . HOH B 2 .   ? -31.528 -25.671 -12.852 1.00 25.04 ? 412 HOH A O   1 
HETATM 1083 O O   . HOH B 2 .   ? -18.810 -10.394 -15.542 1.00 30.12 ? 413 HOH A O   1 
HETATM 1084 O O   . HOH B 2 .   ? -4.856  -13.802 5.355   1.00 23.54 ? 414 HOH A O   1 
HETATM 1085 O O   . HOH B 2 .   ? -16.381 -33.772 -12.709 1.00 23.98 ? 415 HOH A O   1 
HETATM 1086 O O   . HOH B 2 .   ? -20.238 -19.293 -20.296 1.00 14.45 ? 416 HOH A O   1 
HETATM 1087 O O   . HOH B 2 .   ? -14.064 -11.160 -18.968 1.00 21.33 ? 417 HOH A O   1 
HETATM 1088 O O   . HOH B 2 .   ? -15.463 -21.529 9.225   1.00 27.95 ? 418 HOH A O   1 
HETATM 1089 O O   . HOH B 2 .   ? 0.000   -24.975 0.000   0.50 18.07 ? 419 HOH A O   1 
HETATM 1090 O O   . HOH B 2 .   ? -2.582  -29.146 -0.371  1.00 31.41 ? 420 HOH A O   1 
HETATM 1091 O O   . HOH B 2 .   ? -29.483 -33.126 -10.960 1.00 21.99 ? 421 HOH A O   1 
HETATM 1092 O O   . HOH B 2 .   ? -6.565  -28.416 -6.417  1.00 14.29 ? 422 HOH A O   1 
HETATM 1093 O O   . HOH B 2 .   ? -9.903  -12.458 10.799  1.00 17.02 ? 423 HOH A O   1 
HETATM 1094 O O   . HOH B 2 .   ? 0.024   -18.726 -8.346  1.00 24.93 ? 424 HOH A O   1 
HETATM 1095 O O   . HOH B 2 .   ? -15.353 -24.293 -25.808 1.00 20.96 ? 425 HOH A O   1 
HETATM 1096 O O   . HOH B 2 .   ? -5.689  -24.734 8.202   1.00 32.19 ? 426 HOH A O   1 
HETATM 1097 O O   . HOH B 2 .   ? -19.326 -15.349 -21.148 1.00 25.45 ? 427 HOH A O   1 
HETATM 1098 O O   . HOH B 2 .   ? -12.498 -30.658 -18.303 1.00 23.58 ? 428 HOH A O   1 
HETATM 1099 O O   . HOH B 2 .   ? -4.606  -17.225 7.721   1.00 26.20 ? 429 HOH A O   1 
HETATM 1100 O O   . HOH B 2 .   ? -6.975  -16.136 10.444  1.00 24.29 ? 430 HOH A O   1 
HETATM 1101 O O   . HOH B 2 .   ? -20.107 -10.889 -8.821  1.00 15.98 ? 431 HOH A O   1 
HETATM 1102 O O   . HOH B 2 .   ? 0.096   -17.553 -11.359 1.00 28.86 ? 432 HOH A O   1 
HETATM 1103 O O   . HOH B 2 .   ? -27.769 -29.232 -19.365 1.00 27.68 ? 433 HOH A O   1 
HETATM 1104 O O   . HOH B 2 .   ? -20.264 -30.380 -5.260  1.00 26.00 ? 434 HOH A O   1 
HETATM 1105 O O   . HOH B 2 .   ? -26.516 -31.255 -9.394  1.00 17.83 ? 435 HOH A O   1 
HETATM 1106 O O   . HOH B 2 .   ? -29.224 -29.669 -9.668  1.00 24.37 ? 436 HOH A O   1 
HETATM 1107 O O   . HOH B 2 .   ? -29.204 -18.044 -7.184  1.00 24.81 ? 437 HOH A O   1 
HETATM 1108 O O   . HOH B 2 .   ? -17.617 -34.716 -20.785 1.00 27.10 ? 438 HOH A O   1 
HETATM 1109 O O   . HOH B 2 .   ? -17.907 -21.841 6.891   1.00 31.78 ? 439 HOH A O   1 
HETATM 1110 O O   . HOH B 2 .   ? -25.443 -17.015 -0.761  1.00 24.92 ? 440 HOH A O   1 
HETATM 1111 O O   . HOH B 2 .   ? -7.791  -12.004 7.891   1.00 26.33 ? 441 HOH A O   1 
HETATM 1112 O O   . HOH B 2 .   ? -18.947 -22.850 -23.189 1.00 17.02 ? 442 HOH A O   1 
HETATM 1113 O O   . HOH B 2 .   ? -30.419 -22.591 -21.267 1.00 19.88 ? 443 HOH A O   1 
HETATM 1114 O O   . HOH B 2 .   ? -23.289 -32.175 -17.265 1.00 27.71 ? 444 HOH A O   1 
HETATM 1115 O O   . HOH B 2 .   ? -9.698  -20.023 -7.392  1.00 24.82 ? 445 HOH A O   1 
HETATM 1116 O O   . HOH B 2 .   ? -2.921  -24.217 -15.318 1.00 32.57 ? 446 HOH A O   1 
HETATM 1117 O O   . HOH B 2 .   ? -21.358 -15.354 5.059   1.00 27.99 ? 447 HOH A O   1 
HETATM 1118 O O   . HOH B 2 .   ? 3.496   -20.515 -8.636  1.00 37.07 ? 448 HOH A O   1 
HETATM 1119 O O   . HOH B 2 .   ? -20.837 -14.224 -14.580 1.00 19.60 ? 449 HOH A O   1 
HETATM 1120 O O   . HOH B 2 .   ? -13.607 -29.258 -21.968 1.00 25.30 ? 450 HOH A O   1 
HETATM 1121 O O   . HOH B 2 .   ? -7.953  -4.981  0.777   1.00 21.16 ? 451 HOH A O   1 
HETATM 1122 O O   . HOH B 2 .   ? -4.678  -31.651 3.272   1.00 32.13 ? 452 HOH A O   1 
HETATM 1123 O O   . HOH B 2 .   ? -15.585 -14.789 -19.814 1.00 28.09 ? 453 HOH A O   1 
HETATM 1124 O O   . HOH B 2 .   ? -8.810  -24.567 -19.188 1.00 32.60 ? 454 HOH A O   1 
HETATM 1125 O O   . HOH B 2 .   ? -18.752 -31.927 -6.862  1.00 27.11 ? 455 HOH A O   1 
HETATM 1126 O O   . HOH B 2 .   ? -5.263  -30.522 -11.078 1.00 37.54 ? 456 HOH A O   1 
HETATM 1127 O O   . HOH B 2 .   ? -12.654 -20.697 10.900  1.00 34.03 ? 457 HOH A O   1 
HETATM 1128 O O   . HOH B 2 .   ? -18.258 -13.332 8.574   1.00 38.19 ? 458 HOH A O   1 
HETATM 1129 O O   . HOH B 2 .   ? -10.336 -20.839 -9.805  1.00 27.84 ? 459 HOH A O   1 
HETATM 1130 O O   . HOH B 2 .   ? -9.283  -32.006 4.514   1.00 33.29 ? 460 HOH A O   1 
HETATM 1131 O O   . HOH B 2 .   ? -3.926  -14.802 2.008   1.00 39.49 ? 461 HOH A O   1 
HETATM 1132 O O   . HOH B 2 .   ? -11.492 -29.924 -0.059  1.00 27.82 ? 462 HOH A O   1 
HETATM 1133 O O   . HOH B 2 .   ? -2.946  -29.591 -11.452 1.00 35.58 ? 463 HOH A O   1 
HETATM 1134 O O   . HOH B 2 .   ? -1.214  -9.369  -5.551  1.00 35.89 ? 464 HOH A O   1 
HETATM 1135 O O   . HOH B 2 .   ? -19.288 -11.820 -18.159 1.00 36.82 ? 465 HOH A O   1 
HETATM 1136 O O   . HOH B 2 .   ? -12.226 -30.261 4.875   1.00 30.49 ? 466 HOH A O   1 
HETATM 1137 O O   . HOH B 2 .   ? -14.755 -26.883 -6.288  1.00 28.56 ? 467 HOH A O   1 
HETATM 1138 O O   . HOH B 2 .   ? -27.100 -33.170 -7.348  0.50 25.64 ? 468 HOH A O   1 
HETATM 1139 O O   . HOH B 2 .   ? -16.178 -31.574 -5.842  1.00 37.58 ? 469 HOH A O   1 
HETATM 1140 O O   . HOH B 2 .   ? -12.763 -32.251 -3.801  1.00 29.04 ? 470 HOH A O   1 
# 
