data_9DPW
# 
_entry.id   9DPW 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_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   9DPW         pdb_00009dpw 10.2210/pdb9dpw/pdb 
WWPDB D_1000287394 ?            ?                   
# 
_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       2025-03-05 
_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                        9DPW 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-23 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              ahinck@pitt.edu 
_pdbx_contact_author.name_first         Andrew 
_pdbx_contact_author.name_last          Hinck 
_pdbx_contact_author.name_mi            P 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-3320-8054 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Schwartze, T.A.' 1 0000-0003-0306-3288 
'Hinck, A.P.'     2 0000-0003-3320-8054 
# 
_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                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Mol.Biol. 
_citation.journal_id_ASTM           JMOBAK 
_citation.journal_id_CSD            0070 
_citation.journal_id_ISSN           1089-8638 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            437 
_citation.language                  ? 
_citation.page_first                168935 
_citation.page_last                 168935 
_citation.title                     'Molecular Basis of Interchain Disulfide Bond Formation in BMP-9 and BMP-10.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1016/j.jmb.2025.168935 
_citation.pdbx_database_id_PubMed   39793884 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Schwartze, T.A.' 1  ? 
primary 'Morosky, S.A.'   2  ? 
primary 'Rosato, T.L.'    3  ? 
primary 'Henrickson, A.'  4  ? 
primary 'Lin, G.'         5  ? 
primary 'Hinck, C.S.'     6  ? 
primary 'Taylor, A.B.'    7  ? 
primary 'Olsen, S.K.'     8  ? 
primary 'Calero, G.'      9  ? 
primary 'Demeler, B.'     10 ? 
primary 'Roman, B.L.'     11 ? 
primary 'Hinck, A.P.'     12 ? 
# 
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 'Growth/differentiation factor 2' 12177.011 1  ? 'A321S, K357R, G389S' ? ? 
2 non-polymer syn GLYCEROL                          92.094    2  ? ?                     ? ? 
3 non-polymer syn 'CHLORIDE ION'                    35.453    9  ? ?                     ? ? 
4 non-polymer syn 'SODIUM ION'                      22.990    3  ? ?                     ? ? 
5 water       nat water                             18.015    46 ? ?                     ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'GDF-2,Bone morphogenetic protein 9,BMP-9' 
# 
_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       
;SSGAGSHCQKTSLRVNFEDIGWDSWIIAPKEYEAYECRGGCFFPLADDVTPTKHAIVQTLVHLKFPTKVSKACCVPTKLS
PISVLYKDDMGVPTLKYHYEGMSVAECGCR
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SSGAGSHCQKTSLRVNFEDIGWDSWIIAPKEYEAYECRGGCFFPLADDVTPTKHAIVQTLVHLKFPTKVSKACCVPTKLS
PISVLYKDDMGVPTLKYHYEGMSVAECGCR
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 GLYCEROL       GOL 
3 'CHLORIDE ION' CL  
4 'SODIUM ION'   NA  
5 water          HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   SER n 
1 2   SER n 
1 3   GLY n 
1 4   ALA n 
1 5   GLY n 
1 6   SER n 
1 7   HIS n 
1 8   CYS n 
1 9   GLN n 
1 10  LYS n 
1 11  THR n 
1 12  SER n 
1 13  LEU n 
1 14  ARG n 
1 15  VAL n 
1 16  ASN n 
1 17  PHE n 
1 18  GLU n 
1 19  ASP n 
1 20  ILE n 
1 21  GLY n 
1 22  TRP n 
1 23  ASP n 
1 24  SER n 
1 25  TRP n 
1 26  ILE n 
1 27  ILE n 
1 28  ALA n 
1 29  PRO n 
1 30  LYS n 
1 31  GLU n 
1 32  TYR n 
1 33  GLU n 
1 34  ALA n 
1 35  TYR n 
1 36  GLU n 
1 37  CYS n 
1 38  ARG n 
1 39  GLY n 
1 40  GLY n 
1 41  CYS n 
1 42  PHE n 
1 43  PHE n 
1 44  PRO n 
1 45  LEU n 
1 46  ALA n 
1 47  ASP n 
1 48  ASP n 
1 49  VAL n 
1 50  THR n 
1 51  PRO n 
1 52  THR n 
1 53  LYS n 
1 54  HIS n 
1 55  ALA n 
1 56  ILE n 
1 57  VAL n 
1 58  GLN n 
1 59  THR n 
1 60  LEU n 
1 61  VAL n 
1 62  HIS n 
1 63  LEU n 
1 64  LYS n 
1 65  PHE n 
1 66  PRO n 
1 67  THR n 
1 68  LYS n 
1 69  VAL n 
1 70  SER n 
1 71  LYS n 
1 72  ALA n 
1 73  CYS n 
1 74  CYS n 
1 75  VAL n 
1 76  PRO n 
1 77  THR n 
1 78  LYS n 
1 79  LEU n 
1 80  SER n 
1 81  PRO n 
1 82  ILE n 
1 83  SER n 
1 84  VAL n 
1 85  LEU n 
1 86  TYR n 
1 87  LYS n 
1 88  ASP n 
1 89  ASP n 
1 90  MET n 
1 91  GLY n 
1 92  VAL n 
1 93  PRO n 
1 94  THR n 
1 95  LEU n 
1 96  LYS n 
1 97  TYR n 
1 98  HIS n 
1 99  TYR n 
1 100 GLU n 
1 101 GLY n 
1 102 MET n 
1 103 SER n 
1 104 VAL n 
1 105 ALA n 
1 106 GLU n 
1 107 CYS n 
1 108 GLY n 
1 109 CYS n 
1 110 ARG 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                   110 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'GDF2, BMP9' 
_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      'Homo sapiens' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     9606 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                kidney 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               embryonic 
_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            'expi293 (Invitrogen)' 
_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          plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       pcdna3.1 
_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 
CL  non-polymer         . 'CHLORIDE ION'  ?                               'Cl -1'          35.453  
CYS 'L-peptide linking' y CYSTEINE        ?                               'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ?                               'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ?                               'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ?                               'C2 H5 N O2'     75.067  
GOL non-polymer         . GLYCEROL        'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
HIS 'L-peptide linking' y HISTIDINE       ?                               'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ?                               'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ?                               'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ?                               'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ?                               'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ?                               'C5 H11 N O2 S'  149.211 
NA  non-polymer         . 'SODIUM ION'    ?                               'Na 1'           22.990  
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   SER 1   320 ?   ?   ?   A . n 
A 1 2   SER 2   321 ?   ?   ?   A . n 
A 1 3   GLY 3   322 ?   ?   ?   A . n 
A 1 4   ALA 4   323 ?   ?   ?   A . n 
A 1 5   GLY 5   324 ?   ?   ?   A . n 
A 1 6   SER 6   325 325 SER SER A . n 
A 1 7   HIS 7   326 326 HIS HIS A . n 
A 1 8   CYS 8   327 327 CYS CYS A . n 
A 1 9   GLN 9   328 328 GLN GLN A . n 
A 1 10  LYS 10  329 329 LYS LYS A . n 
A 1 11  THR 11  330 330 THR THR A . n 
A 1 12  SER 12  331 331 SER SER A . n 
A 1 13  LEU 13  332 332 LEU LEU A . n 
A 1 14  ARG 14  333 333 ARG ARG A . n 
A 1 15  VAL 15  334 334 VAL VAL A . n 
A 1 16  ASN 16  335 335 ASN ASN A . n 
A 1 17  PHE 17  336 336 PHE PHE A . n 
A 1 18  GLU 18  337 337 GLU GLU A . n 
A 1 19  ASP 19  338 338 ASP ASP A . n 
A 1 20  ILE 20  339 339 ILE ILE A . n 
A 1 21  GLY 21  340 340 GLY GLY A . n 
A 1 22  TRP 22  341 341 TRP TRP A . n 
A 1 23  ASP 23  342 342 ASP ASP A . n 
A 1 24  SER 24  343 343 SER SER A . n 
A 1 25  TRP 25  344 344 TRP TRP A . n 
A 1 26  ILE 26  345 345 ILE ILE A . n 
A 1 27  ILE 27  346 346 ILE ILE A . n 
A 1 28  ALA 28  347 347 ALA ALA A . n 
A 1 29  PRO 29  348 348 PRO PRO A . n 
A 1 30  LYS 30  349 349 LYS LYS A . n 
A 1 31  GLU 31  350 350 GLU GLU A . n 
A 1 32  TYR 32  351 351 TYR TYR A . n 
A 1 33  GLU 33  352 352 GLU GLU A . n 
A 1 34  ALA 34  353 353 ALA ALA A . n 
A 1 35  TYR 35  354 354 TYR TYR A . n 
A 1 36  GLU 36  355 355 GLU GLU A . n 
A 1 37  CYS 37  356 356 CYS CYS A . n 
A 1 38  ARG 38  357 357 ARG ARG A . n 
A 1 39  GLY 39  358 358 GLY GLY A . n 
A 1 40  GLY 40  359 359 GLY GLY A . n 
A 1 41  CYS 41  360 360 CYS CYS A . n 
A 1 42  PHE 42  361 361 PHE PHE A . n 
A 1 43  PHE 43  362 362 PHE PHE A . n 
A 1 44  PRO 44  363 363 PRO PRO A . n 
A 1 45  LEU 45  364 364 LEU LEU A . n 
A 1 46  ALA 46  365 365 ALA ALA A . n 
A 1 47  ASP 47  366 366 ASP ASP A . n 
A 1 48  ASP 48  367 367 ASP ASP A . n 
A 1 49  VAL 49  368 368 VAL VAL A . n 
A 1 50  THR 50  369 369 THR THR A . n 
A 1 51  PRO 51  370 370 PRO PRO A . n 
A 1 52  THR 52  371 371 THR THR A . n 
A 1 53  LYS 53  372 372 LYS LYS A . n 
A 1 54  HIS 54  373 373 HIS HIS A . n 
A 1 55  ALA 55  374 374 ALA ALA A . n 
A 1 56  ILE 56  375 375 ILE ILE A . n 
A 1 57  VAL 57  376 376 VAL VAL A . n 
A 1 58  GLN 58  377 377 GLN GLN A . n 
A 1 59  THR 59  378 378 THR THR A . n 
A 1 60  LEU 60  379 379 LEU LEU A . n 
A 1 61  VAL 61  380 380 VAL VAL A . n 
A 1 62  HIS 62  381 381 HIS HIS A . n 
A 1 63  LEU 63  382 382 LEU LEU A . n 
A 1 64  LYS 64  383 383 LYS LYS A . n 
A 1 65  PHE 65  384 384 PHE PHE A . n 
A 1 66  PRO 66  385 385 PRO PRO A . n 
A 1 67  THR 67  386 386 THR THR A . n 
A 1 68  LYS 68  387 387 LYS LYS A . n 
A 1 69  VAL 69  388 388 VAL VAL A . n 
A 1 70  SER 70  389 389 SER SER A . n 
A 1 71  LYS 71  390 390 LYS LYS A . n 
A 1 72  ALA 72  391 391 ALA ALA A . n 
A 1 73  CYS 73  392 392 CYS CYS A . n 
A 1 74  CYS 74  393 393 CYS CYS A . n 
A 1 75  VAL 75  394 394 VAL VAL A . n 
A 1 76  PRO 76  395 395 PRO PRO A . n 
A 1 77  THR 77  396 396 THR THR A . n 
A 1 78  LYS 78  397 397 LYS LYS A . n 
A 1 79  LEU 79  398 398 LEU LEU A . n 
A 1 80  SER 80  399 399 SER SER A . n 
A 1 81  PRO 81  400 400 PRO PRO A . n 
A 1 82  ILE 82  401 401 ILE ILE A . n 
A 1 83  SER 83  402 402 SER SER A . n 
A 1 84  VAL 84  403 403 VAL VAL A . n 
A 1 85  LEU 85  404 404 LEU LEU A . n 
A 1 86  TYR 86  405 405 TYR TYR A . n 
A 1 87  LYS 87  406 406 LYS LYS A . n 
A 1 88  ASP 88  407 407 ASP ASP A . n 
A 1 89  ASP 89  408 408 ASP ASP A . n 
A 1 90  MET 90  409 409 MET MET A . n 
A 1 91  GLY 91  410 410 GLY GLY A . n 
A 1 92  VAL 92  411 411 VAL VAL A . n 
A 1 93  PRO 93  412 412 PRO PRO A . n 
A 1 94  THR 94  413 413 THR THR A . n 
A 1 95  LEU 95  414 414 LEU LEU A . n 
A 1 96  LYS 96  415 415 LYS LYS A . n 
A 1 97  TYR 97  416 416 TYR TYR A . n 
A 1 98  HIS 98  417 417 HIS HIS A . n 
A 1 99  TYR 99  418 418 TYR TYR A . n 
A 1 100 GLU 100 419 419 GLU GLU A . n 
A 1 101 GLY 101 420 420 GLY GLY A . n 
A 1 102 MET 102 421 421 MET MET A . n 
A 1 103 SER 103 422 422 SER SER A . n 
A 1 104 VAL 104 423 423 VAL VAL A . n 
A 1 105 ALA 105 424 424 ALA ALA A . n 
A 1 106 GLU 106 425 425 GLU GLU A . n 
A 1 107 CYS 107 426 426 CYS CYS A . n 
A 1 108 GLY 108 427 427 GLY GLY A . n 
A 1 109 CYS 109 428 428 CYS CYS A . n 
A 1 110 ARG 110 429 429 ARG ARG 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 GOL 1  501 1  GOL GOL A . 
C 2 GOL 1  502 3  GOL GOL A . 
D 3 CL  1  503 1  CL  CL  A . 
E 3 CL  1  504 2  CL  CL  A . 
F 3 CL  1  505 3  CL  CL  A . 
G 3 CL  1  506 4  CL  CL  A . 
H 3 CL  1  507 5  CL  CL  A . 
I 3 CL  1  508 6  CL  CL  A . 
J 3 CL  1  509 7  CL  CL  A . 
K 3 CL  1  510 8  CL  CL  A . 
L 3 CL  1  511 9  CL  CL  A . 
M 4 NA  1  512 1  NA  NA  A . 
N 4 NA  1  513 3  NA  NA  A . 
O 4 NA  1  514 6  NA  NA  A . 
P 5 HOH 1  601 1  HOH HOH A . 
P 5 HOH 2  602 76 HOH HOH A . 
P 5 HOH 3  603 2  HOH HOH A . 
P 5 HOH 4  604 9  HOH HOH A . 
P 5 HOH 5  605 40 HOH HOH A . 
P 5 HOH 6  606 65 HOH HOH A . 
P 5 HOH 7  607 29 HOH HOH A . 
P 5 HOH 8  608 27 HOH HOH A . 
P 5 HOH 9  609 4  HOH HOH A . 
P 5 HOH 10 610 72 HOH HOH A . 
P 5 HOH 11 611 96 HOH HOH A . 
P 5 HOH 12 612 7  HOH HOH A . 
P 5 HOH 13 613 3  HOH HOH A . 
P 5 HOH 14 614 81 HOH HOH A . 
P 5 HOH 15 615 19 HOH HOH A . 
P 5 HOH 16 616 79 HOH HOH A . 
P 5 HOH 17 617 21 HOH HOH A . 
P 5 HOH 18 618 97 HOH HOH A . 
P 5 HOH 19 619 6  HOH HOH A . 
P 5 HOH 20 620 98 HOH HOH A . 
P 5 HOH 21 621 12 HOH HOH A . 
P 5 HOH 22 622 84 HOH HOH A . 
P 5 HOH 23 623 69 HOH HOH A . 
P 5 HOH 24 624 78 HOH HOH A . 
P 5 HOH 25 625 44 HOH HOH A . 
P 5 HOH 26 626 53 HOH HOH A . 
P 5 HOH 27 627 92 HOH HOH A . 
P 5 HOH 28 628 64 HOH HOH A . 
P 5 HOH 29 629 48 HOH HOH A . 
P 5 HOH 30 630 38 HOH HOH A . 
P 5 HOH 31 631 57 HOH HOH A . 
P 5 HOH 32 632 74 HOH HOH A . 
P 5 HOH 33 633 5  HOH HOH A . 
P 5 HOH 34 634 99 HOH HOH A . 
P 5 HOH 35 635 37 HOH HOH A . 
P 5 HOH 36 636 63 HOH HOH A . 
P 5 HOH 37 637 66 HOH HOH A . 
P 5 HOH 38 638 50 HOH HOH A . 
P 5 HOH 39 639 46 HOH HOH A . 
P 5 HOH 40 640 54 HOH HOH A . 
P 5 HOH 41 641 91 HOH HOH A . 
P 5 HOH 42 642 68 HOH HOH A . 
P 5 HOH 43 643 62 HOH HOH A . 
P 5 HOH 44 644 95 HOH HOH A . 
P 5 HOH 45 645 89 HOH HOH A . 
P 5 HOH 46 646 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       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.20.1_4487 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? iMOSFLM ? ? ? .           2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP  ? ? ? .           4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9DPW 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     71.100 
_cell.length_a_esd                 ? 
_cell.length_b                     71.100 
_cell.length_b_esd                 ? 
_cell.length_c                     145.548 
_cell.length_c_esd                 ? 
_cell.volume                       735775.705 
_cell.volume_esd                   ? 
_cell.Z_PDB                        16 
_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                         9DPW 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                98 
_symmetry.space_group_name_Hall            'I 4bw 2bw' 
_symmetry.space_group_name_H-M             'I 41 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                   9DPW 
_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             3.89 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          68.39 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '1M NaCl, 22-26% glycerol, 0.1 M HEPES pH 7.5' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            289.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   Y 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-02-17 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1 
_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                        'APS BEAMLINE 22-ID' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   22-ID 
_diffrn_source.pdbx_synchrotron_site       APS 
# 
_reflns.B_iso_Wilson_estimate                          52.19 
_reflns.entry_id                                       9DPW 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.71 
_reflns.d_resolution_low                               40.08 
_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                                     5360 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.6 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          4.2 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.97 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.511 
_reflns.pdbx_Rpim_I_all                                0.247 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.948 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.443 
_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                                    2.71 
_reflns_shell.d_res_low                                     2.84 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.4 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             706 
_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                               7.4 
_reflns_shell.pdbx_chi_squared                              1.04 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               5.208 
_reflns_shell.pdbx_Rpim_I_all                               2.505 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.309 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.6 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  4.532 
_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]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               66.79 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_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                                 9DPW 
_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                            2.71 
_refine.ls_d_res_low                             40.08 
_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                     5335 
_refine.ls_number_reflns_R_free                  259 
_refine.ls_number_reflns_R_work                  5076 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.07 
_refine.ls_percent_reflns_R_free                 4.85 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2270 
_refine.ls_R_factor_R_free                       0.2986 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2235 
_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                    'FLAT BULK SOLVENT MODEL' 
_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                          1.00 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_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                 20.0512 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.3862 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.71 
_refine_hist.d_res_low                        40.08 
_refine_hist.number_atoms_solvent             46 
_refine_hist.number_atoms_total               896 
_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        826 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         24 
_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' ? 0.0093  ? 859  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.3565  ? 1163 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0802  ? 127  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0105  ? 145  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 12.9849 ? 314  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.71 3.41  . . 122 2492 99.39 . . . . 0.2686 . . . . . . . . . . . 0.3167 
'X-RAY DIFFRACTION' 3.42 40.08 . . 137 2584 98.77 . . . . 0.2058 . . . . . . . . . . . 0.2923 
# 
_struct.entry_id                     9DPW 
_struct.title                        'BMP-9 K357R G389S Dimer With Radiation Damage in Neutral pH' 
_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        9DPW 
_struct_keywords.text            'SIGNALING PROTEIN, BMP, bone morphogenetic protein, TGF-beta family' 
_struct_keywords.pdbx_keywords   'SIGNALING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 3 ? 
E N N 3 ? 
F N N 3 ? 
G N N 3 ? 
H N N 3 ? 
I N N 3 ? 
J N N 3 ? 
K N N 3 ? 
L N N 3 ? 
M N N 4 ? 
N N N 4 ? 
O N N 4 ? 
P N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    GDF2_HUMAN 
_struct_ref.pdbx_db_accession          Q9UK05 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;SAGAGSHCQKTSLRVNFEDIGWDSWIIAPKEYEAYECKGGCFFPLADDVTPTKHAIVQTLVHLKFPTKVGKACCVPTKLS
PISVLYKDDMGVPTLKYHYEGMSVAECGCR
;
_struct_ref.pdbx_align_begin           320 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9DPW 
_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                 110 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q9UK05 
_struct_ref_seq.db_align_beg                  320 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  429 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       320 
_struct_ref_seq.pdbx_auth_seq_align_end       429 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9DPW SER A 2  ? UNP Q9UK05 ALA 321 'engineered mutation' 321 1 
1 9DPW ARG A 38 ? UNP Q9UK05 LYS 357 'engineered mutation' 357 2 
1 9DPW SER A 70 ? UNP Q9UK05 GLY 389 'engineered mutation' 389 3 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P 
1 2 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                'Covalent homodimer observed on SDS gels.' 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z           1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 
0.0000000000 0.0000000000  0.0000000000 0.0000000000 1.0000000000  0.0000000000  
2 'crystal symmetry operation' 6_555 x,-y+1/2,-z+1/4 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 
-1.0000000000 0.0000000000 35.5500000000 0.0000000000 0.0000000000 -1.0000000000 36.3870000000 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       THR 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        52 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       PHE 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        65 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        THR 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         371 
_struct_conf.end_auth_comp_id        PHE 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         384 
_struct_conf.pdbx_PDB_helix_class    1 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   14 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 8  SG  ? ? ? 1_555 A CYS 74  SG ? ? A CYS 327 A CYS 393 1_555 ? ? ? ? ? ? ? 2.033 ? ? 
disulf2 disulf ? ? A CYS 37 SG  ? ? ? 1_555 A CYS 107 SG ? ? A CYS 356 A CYS 426 1_555 ? ? ? ? ? ? ? 2.060 ? ? 
disulf3 disulf ? ? A CYS 41 SG  ? ? ? 1_555 A CYS 109 SG ? ? A CYS 360 A CYS 428 1_555 ? ? ? ? ? ? ? 2.042 ? ? 
disulf4 disulf ? ? A CYS 73 SG  ? ? ? 1_555 A CYS 73  SG ? ? A CYS 392 A CYS 392 6_555 ? ? ? ? ? ? ? 2.976 ? ? 
metalc1 metalc ? ? A THR 67 OG1 ? ? ? 1_555 N NA  .   NA ? ? A THR 386 A NA  513 1_555 ? ? ? ? ? ? ? 2.656 ? ? 
metalc2 metalc ? ? A TYR 97 OH  ? ? ? 1_555 M NA  .   NA ? ? A TYR 416 A NA  512 1_555 ? ? ? ? ? ? ? 2.818 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 8  ? CYS A 74  ? CYS A 327 ? 1_555 CYS A 393 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 37 ? CYS A 107 ? CYS A 356 ? 1_555 CYS A 426 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 41 ? CYS A 109 ? CYS A 360 ? 1_555 CYS A 428 ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 73 ? CYS A 73  ? CYS A 392 ? 1_555 CYS A 392 ? 6_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 ALA 28 A . ? ALA 347 A PRO 29 A ? PRO 348 A 1 2.95 
2 PHE 43 A . ? PHE 362 A PRO 44 A ? PRO 363 A 1 9.49 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 2 ? 
AA2 ? 2 ? 
AA3 ? 3 ? 
# 
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 
AA2 1 2 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? 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 GLN A 9  ? THR A 11  ? GLN A 328 THR A 330 
AA1 2 GLU A 36 ? ARG A 38  ? GLU A 355 ARG A 357 
AA2 1 ARG A 14 ? ASN A 16  ? ARG A 333 ASN A 335 
AA2 2 GLU A 31 ? GLU A 33  ? GLU A 350 GLU A 352 
AA3 1 ILE A 26 ? ALA A 28  ? ILE A 345 ALA A 347 
AA3 2 CYS A 74 ? LYS A 87  ? CYS A 393 LYS A 406 
AA3 3 PRO A 93 ? CYS A 109 ? PRO A 412 CYS A 428 
# 
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 GLN A 9  ? N GLN A 328 O ARG A 38 ? O ARG A 357 
AA2 1 2 N VAL A 15 ? N VAL A 334 O TYR A 32 ? O TYR A 351 
AA3 1 2 N ALA A 28 ? N ALA A 347 O LEU A 85 ? O LEU A 404 
AA3 2 3 N ILE A 82 ? N ILE A 401 O TYR A 99 ? O TYR A 418 
# 
_pdbx_entry_details.entry_id                   9DPW 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_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 TYR A 354 ? ? 64.98 169.35 
2 1 THR A 369 ? ? 37.35 52.97  
# 
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 CL  505 ? F CL  . 
2 1 A HOH 635 ? P HOH . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1  x,y,z                
2  -y+1/2,x,z+3/4       
3  y+1/2,-x,z+3/4       
4  x+1/2,-y,-z+3/4      
5  -x+1/2,y,-z+3/4      
6  -x,-y,z              
7  y,x,-z               
8  -y,-x,-z             
9  x+1/2,y+1/2,z+1/2    
10 -y+1,x+1/2,z+5/4     
11 y+1,-x+1/2,z+5/4     
12 x+1,-y+1/2,-z+5/4    
13 -x+1,y+1/2,-z+5/4    
14 -x+1/2,-y+1/2,z+1/2  
15 y+1/2,x+1/2,-z+1/2   
16 -y+1/2,-x+1/2,-z+1/2 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A SER 320 ? A SER 1 
2 1 Y 1 A SER 321 ? A SER 2 
3 1 Y 1 A GLY 322 ? A GLY 3 
4 1 Y 1 A ALA 323 ? A ALA 4 
5 1 Y 1 A GLY 324 ? A GLY 5 
# 
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  
CL  CL   CL N N 74  
CYS N    N  N N 75  
CYS CA   C  N R 76  
CYS C    C  N N 77  
CYS O    O  N N 78  
CYS CB   C  N N 79  
CYS SG   S  N N 80  
CYS OXT  O  N N 81  
CYS H    H  N N 82  
CYS H2   H  N N 83  
CYS HA   H  N N 84  
CYS HB2  H  N N 85  
CYS HB3  H  N N 86  
CYS HG   H  N N 87  
CYS HXT  H  N N 88  
GLN N    N  N N 89  
GLN CA   C  N S 90  
GLN C    C  N N 91  
GLN O    O  N N 92  
GLN CB   C  N N 93  
GLN CG   C  N N 94  
GLN CD   C  N N 95  
GLN OE1  O  N N 96  
GLN NE2  N  N N 97  
GLN OXT  O  N N 98  
GLN H    H  N N 99  
GLN H2   H  N N 100 
GLN HA   H  N N 101 
GLN HB2  H  N N 102 
GLN HB3  H  N N 103 
GLN HG2  H  N N 104 
GLN HG3  H  N N 105 
GLN HE21 H  N N 106 
GLN HE22 H  N N 107 
GLN HXT  H  N N 108 
GLU N    N  N N 109 
GLU CA   C  N S 110 
GLU C    C  N N 111 
GLU O    O  N N 112 
GLU CB   C  N N 113 
GLU CG   C  N N 114 
GLU CD   C  N N 115 
GLU OE1  O  N N 116 
GLU OE2  O  N N 117 
GLU OXT  O  N N 118 
GLU H    H  N N 119 
GLU H2   H  N N 120 
GLU HA   H  N N 121 
GLU HB2  H  N N 122 
GLU HB3  H  N N 123 
GLU HG2  H  N N 124 
GLU HG3  H  N N 125 
GLU HE2  H  N N 126 
GLU HXT  H  N N 127 
GLY N    N  N N 128 
GLY CA   C  N N 129 
GLY C    C  N N 130 
GLY O    O  N N 131 
GLY OXT  O  N N 132 
GLY H    H  N N 133 
GLY H2   H  N N 134 
GLY HA2  H  N N 135 
GLY HA3  H  N N 136 
GLY HXT  H  N N 137 
GOL C1   C  N N 138 
GOL O1   O  N N 139 
GOL C2   C  N N 140 
GOL O2   O  N N 141 
GOL C3   C  N N 142 
GOL O3   O  N N 143 
GOL H11  H  N N 144 
GOL H12  H  N N 145 
GOL HO1  H  N N 146 
GOL H2   H  N N 147 
GOL HO2  H  N N 148 
GOL H31  H  N N 149 
GOL H32  H  N N 150 
GOL HO3  H  N N 151 
HIS N    N  N N 152 
HIS CA   C  N S 153 
HIS C    C  N N 154 
HIS O    O  N N 155 
HIS CB   C  N N 156 
HIS CG   C  Y N 157 
HIS ND1  N  Y N 158 
HIS CD2  C  Y N 159 
HIS CE1  C  Y N 160 
HIS NE2  N  Y N 161 
HIS OXT  O  N N 162 
HIS H    H  N N 163 
HIS H2   H  N N 164 
HIS HA   H  N N 165 
HIS HB2  H  N N 166 
HIS HB3  H  N N 167 
HIS HD1  H  N N 168 
HIS HD2  H  N N 169 
HIS HE1  H  N N 170 
HIS HE2  H  N N 171 
HIS HXT  H  N N 172 
HOH O    O  N N 173 
HOH H1   H  N N 174 
HOH H2   H  N N 175 
ILE N    N  N N 176 
ILE CA   C  N S 177 
ILE C    C  N N 178 
ILE O    O  N N 179 
ILE CB   C  N S 180 
ILE CG1  C  N N 181 
ILE CG2  C  N N 182 
ILE CD1  C  N N 183 
ILE OXT  O  N N 184 
ILE H    H  N N 185 
ILE H2   H  N N 186 
ILE HA   H  N N 187 
ILE HB   H  N N 188 
ILE HG12 H  N N 189 
ILE HG13 H  N N 190 
ILE HG21 H  N N 191 
ILE HG22 H  N N 192 
ILE HG23 H  N N 193 
ILE HD11 H  N N 194 
ILE HD12 H  N N 195 
ILE HD13 H  N N 196 
ILE HXT  H  N N 197 
LEU N    N  N N 198 
LEU CA   C  N S 199 
LEU C    C  N N 200 
LEU O    O  N N 201 
LEU CB   C  N N 202 
LEU CG   C  N N 203 
LEU CD1  C  N N 204 
LEU CD2  C  N N 205 
LEU OXT  O  N N 206 
LEU H    H  N N 207 
LEU H2   H  N N 208 
LEU HA   H  N N 209 
LEU HB2  H  N N 210 
LEU HB3  H  N N 211 
LEU HG   H  N N 212 
LEU HD11 H  N N 213 
LEU HD12 H  N N 214 
LEU HD13 H  N N 215 
LEU HD21 H  N N 216 
LEU HD22 H  N N 217 
LEU HD23 H  N N 218 
LEU HXT  H  N N 219 
LYS N    N  N N 220 
LYS CA   C  N S 221 
LYS C    C  N N 222 
LYS O    O  N N 223 
LYS CB   C  N N 224 
LYS CG   C  N N 225 
LYS CD   C  N N 226 
LYS CE   C  N N 227 
LYS NZ   N  N N 228 
LYS OXT  O  N N 229 
LYS H    H  N N 230 
LYS H2   H  N N 231 
LYS HA   H  N N 232 
LYS HB2  H  N N 233 
LYS HB3  H  N N 234 
LYS HG2  H  N N 235 
LYS HG3  H  N N 236 
LYS HD2  H  N N 237 
LYS HD3  H  N N 238 
LYS HE2  H  N N 239 
LYS HE3  H  N N 240 
LYS HZ1  H  N N 241 
LYS HZ2  H  N N 242 
LYS HZ3  H  N N 243 
LYS HXT  H  N N 244 
MET N    N  N N 245 
MET CA   C  N S 246 
MET C    C  N N 247 
MET O    O  N N 248 
MET CB   C  N N 249 
MET CG   C  N N 250 
MET SD   S  N N 251 
MET CE   C  N N 252 
MET OXT  O  N N 253 
MET H    H  N N 254 
MET H2   H  N N 255 
MET HA   H  N N 256 
MET HB2  H  N N 257 
MET HB3  H  N N 258 
MET HG2  H  N N 259 
MET HG3  H  N N 260 
MET HE1  H  N N 261 
MET HE2  H  N N 262 
MET HE3  H  N N 263 
MET HXT  H  N N 264 
NA  NA   NA N N 265 
PHE N    N  N N 266 
PHE CA   C  N S 267 
PHE C    C  N N 268 
PHE O    O  N N 269 
PHE CB   C  N N 270 
PHE CG   C  Y N 271 
PHE CD1  C  Y N 272 
PHE CD2  C  Y N 273 
PHE CE1  C  Y N 274 
PHE CE2  C  Y N 275 
PHE CZ   C  Y N 276 
PHE OXT  O  N N 277 
PHE H    H  N N 278 
PHE H2   H  N N 279 
PHE HA   H  N N 280 
PHE HB2  H  N N 281 
PHE HB3  H  N N 282 
PHE HD1  H  N N 283 
PHE HD2  H  N N 284 
PHE HE1  H  N N 285 
PHE HE2  H  N N 286 
PHE HZ   H  N N 287 
PHE HXT  H  N N 288 
PRO N    N  N N 289 
PRO CA   C  N S 290 
PRO C    C  N N 291 
PRO O    O  N N 292 
PRO CB   C  N N 293 
PRO CG   C  N N 294 
PRO CD   C  N N 295 
PRO OXT  O  N N 296 
PRO H    H  N N 297 
PRO HA   H  N N 298 
PRO HB2  H  N N 299 
PRO HB3  H  N N 300 
PRO HG2  H  N N 301 
PRO HG3  H  N N 302 
PRO HD2  H  N N 303 
PRO HD3  H  N N 304 
PRO HXT  H  N N 305 
SER N    N  N N 306 
SER CA   C  N S 307 
SER C    C  N N 308 
SER O    O  N N 309 
SER CB   C  N N 310 
SER OG   O  N N 311 
SER OXT  O  N N 312 
SER H    H  N N 313 
SER H2   H  N N 314 
SER HA   H  N N 315 
SER HB2  H  N N 316 
SER HB3  H  N N 317 
SER HG   H  N N 318 
SER HXT  H  N N 319 
THR N    N  N N 320 
THR CA   C  N S 321 
THR C    C  N N 322 
THR O    O  N N 323 
THR CB   C  N R 324 
THR OG1  O  N N 325 
THR CG2  C  N N 326 
THR OXT  O  N N 327 
THR H    H  N N 328 
THR H2   H  N N 329 
THR HA   H  N N 330 
THR HB   H  N N 331 
THR HG1  H  N N 332 
THR HG21 H  N N 333 
THR HG22 H  N N 334 
THR HG23 H  N N 335 
THR HXT  H  N N 336 
TRP N    N  N N 337 
TRP CA   C  N S 338 
TRP C    C  N N 339 
TRP O    O  N N 340 
TRP CB   C  N N 341 
TRP CG   C  Y N 342 
TRP CD1  C  Y N 343 
TRP CD2  C  Y N 344 
TRP NE1  N  Y N 345 
TRP CE2  C  Y N 346 
TRP CE3  C  Y N 347 
TRP CZ2  C  Y N 348 
TRP CZ3  C  Y N 349 
TRP CH2  C  Y N 350 
TRP OXT  O  N N 351 
TRP H    H  N N 352 
TRP H2   H  N N 353 
TRP HA   H  N N 354 
TRP HB2  H  N N 355 
TRP HB3  H  N N 356 
TRP HD1  H  N N 357 
TRP HE1  H  N N 358 
TRP HE3  H  N N 359 
TRP HZ2  H  N N 360 
TRP HZ3  H  N N 361 
TRP HH2  H  N N 362 
TRP HXT  H  N N 363 
TYR N    N  N N 364 
TYR CA   C  N S 365 
TYR C    C  N N 366 
TYR O    O  N N 367 
TYR CB   C  N N 368 
TYR CG   C  Y N 369 
TYR CD1  C  Y N 370 
TYR CD2  C  Y N 371 
TYR CE1  C  Y N 372 
TYR CE2  C  Y N 373 
TYR CZ   C  Y N 374 
TYR OH   O  N N 375 
TYR OXT  O  N N 376 
TYR H    H  N N 377 
TYR H2   H  N N 378 
TYR HA   H  N N 379 
TYR HB2  H  N N 380 
TYR HB3  H  N N 381 
TYR HD1  H  N N 382 
TYR HD2  H  N N 383 
TYR HE1  H  N N 384 
TYR HE2  H  N N 385 
TYR HH   H  N N 386 
TYR HXT  H  N N 387 
VAL N    N  N N 388 
VAL CA   C  N S 389 
VAL C    C  N N 390 
VAL O    O  N N 391 
VAL CB   C  N N 392 
VAL CG1  C  N N 393 
VAL CG2  C  N N 394 
VAL OXT  O  N N 395 
VAL H    H  N N 396 
VAL H2   H  N N 397 
VAL HA   H  N N 398 
VAL HB   H  N N 399 
VAL HG11 H  N N 400 
VAL HG12 H  N N 401 
VAL HG13 H  N N 402 
VAL HG21 H  N N 403 
VAL HG22 H  N N 404 
VAL HG23 H  N N 405 
VAL HXT  H  N N 406 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
GOL C1  O1   sing N N 129 
GOL C1  C2   sing N N 130 
GOL C1  H11  sing N N 131 
GOL C1  H12  sing N N 132 
GOL O1  HO1  sing N N 133 
GOL C2  O2   sing N N 134 
GOL C2  C3   sing N N 135 
GOL C2  H2   sing N N 136 
GOL O2  HO2  sing N N 137 
GOL C3  O3   sing N N 138 
GOL C3  H31  sing N N 139 
GOL C3  H32  sing N N 140 
GOL O3  HO3  sing N N 141 
HIS N   CA   sing N N 142 
HIS N   H    sing N N 143 
HIS N   H2   sing N N 144 
HIS CA  C    sing N N 145 
HIS CA  CB   sing N N 146 
HIS CA  HA   sing N N 147 
HIS C   O    doub N N 148 
HIS C   OXT  sing N N 149 
HIS CB  CG   sing N N 150 
HIS CB  HB2  sing N N 151 
HIS CB  HB3  sing N N 152 
HIS CG  ND1  sing Y N 153 
HIS CG  CD2  doub Y N 154 
HIS ND1 CE1  doub Y N 155 
HIS ND1 HD1  sing N N 156 
HIS CD2 NE2  sing Y N 157 
HIS CD2 HD2  sing N N 158 
HIS CE1 NE2  sing Y N 159 
HIS CE1 HE1  sing N N 160 
HIS NE2 HE2  sing N N 161 
HIS OXT HXT  sing N N 162 
HOH O   H1   sing N N 163 
HOH O   H2   sing N N 164 
ILE N   CA   sing N N 165 
ILE N   H    sing N N 166 
ILE N   H2   sing N N 167 
ILE CA  C    sing N N 168 
ILE CA  CB   sing N N 169 
ILE CA  HA   sing N N 170 
ILE C   O    doub N N 171 
ILE C   OXT  sing N N 172 
ILE CB  CG1  sing N N 173 
ILE CB  CG2  sing N N 174 
ILE CB  HB   sing N N 175 
ILE CG1 CD1  sing N N 176 
ILE CG1 HG12 sing N N 177 
ILE CG1 HG13 sing N N 178 
ILE CG2 HG21 sing N N 179 
ILE CG2 HG22 sing N N 180 
ILE CG2 HG23 sing N N 181 
ILE CD1 HD11 sing N N 182 
ILE CD1 HD12 sing N N 183 
ILE CD1 HD13 sing N N 184 
ILE OXT HXT  sing N N 185 
LEU N   CA   sing N N 186 
LEU N   H    sing N N 187 
LEU N   H2   sing N N 188 
LEU CA  C    sing N N 189 
LEU CA  CB   sing N N 190 
LEU CA  HA   sing N N 191 
LEU C   O    doub N N 192 
LEU C   OXT  sing N N 193 
LEU CB  CG   sing N N 194 
LEU CB  HB2  sing N N 195 
LEU CB  HB3  sing N N 196 
LEU CG  CD1  sing N N 197 
LEU CG  CD2  sing N N 198 
LEU CG  HG   sing N N 199 
LEU CD1 HD11 sing N N 200 
LEU CD1 HD12 sing N N 201 
LEU CD1 HD13 sing N N 202 
LEU CD2 HD21 sing N N 203 
LEU CD2 HD22 sing N N 204 
LEU CD2 HD23 sing N N 205 
LEU OXT HXT  sing N N 206 
LYS N   CA   sing N N 207 
LYS N   H    sing N N 208 
LYS N   H2   sing N N 209 
LYS CA  C    sing N N 210 
LYS CA  CB   sing N N 211 
LYS CA  HA   sing N N 212 
LYS C   O    doub N N 213 
LYS C   OXT  sing N N 214 
LYS CB  CG   sing N N 215 
LYS CB  HB2  sing N N 216 
LYS CB  HB3  sing N N 217 
LYS CG  CD   sing N N 218 
LYS CG  HG2  sing N N 219 
LYS CG  HG3  sing N N 220 
LYS CD  CE   sing N N 221 
LYS CD  HD2  sing N N 222 
LYS CD  HD3  sing N N 223 
LYS CE  NZ   sing N N 224 
LYS CE  HE2  sing N N 225 
LYS CE  HE3  sing N N 226 
LYS NZ  HZ1  sing N N 227 
LYS NZ  HZ2  sing N N 228 
LYS NZ  HZ3  sing N N 229 
LYS OXT HXT  sing N N 230 
MET N   CA   sing N N 231 
MET N   H    sing N N 232 
MET N   H2   sing N N 233 
MET CA  C    sing N N 234 
MET CA  CB   sing N N 235 
MET CA  HA   sing N N 236 
MET C   O    doub N N 237 
MET C   OXT  sing N N 238 
MET CB  CG   sing N N 239 
MET CB  HB2  sing N N 240 
MET CB  HB3  sing N N 241 
MET CG  SD   sing N N 242 
MET CG  HG2  sing N N 243 
MET CG  HG3  sing N N 244 
MET SD  CE   sing N N 245 
MET CE  HE1  sing N N 246 
MET CE  HE2  sing N N 247 
MET CE  HE3  sing N N 248 
MET OXT HXT  sing N N 249 
PHE N   CA   sing N N 250 
PHE N   H    sing N N 251 
PHE N   H2   sing N N 252 
PHE CA  C    sing N N 253 
PHE CA  CB   sing N N 254 
PHE CA  HA   sing N N 255 
PHE C   O    doub N N 256 
PHE C   OXT  sing N N 257 
PHE CB  CG   sing N N 258 
PHE CB  HB2  sing N N 259 
PHE CB  HB3  sing N N 260 
PHE CG  CD1  doub Y N 261 
PHE CG  CD2  sing Y N 262 
PHE CD1 CE1  sing Y N 263 
PHE CD1 HD1  sing N N 264 
PHE CD2 CE2  doub Y N 265 
PHE CD2 HD2  sing N N 266 
PHE CE1 CZ   doub Y N 267 
PHE CE1 HE1  sing N N 268 
PHE CE2 CZ   sing Y N 269 
PHE CE2 HE2  sing N N 270 
PHE CZ  HZ   sing N N 271 
PHE OXT HXT  sing N N 272 
PRO N   CA   sing N N 273 
PRO N   CD   sing N N 274 
PRO N   H    sing N N 275 
PRO CA  C    sing N N 276 
PRO CA  CB   sing N N 277 
PRO CA  HA   sing N N 278 
PRO C   O    doub N N 279 
PRO C   OXT  sing N N 280 
PRO CB  CG   sing N N 281 
PRO CB  HB2  sing N N 282 
PRO CB  HB3  sing N N 283 
PRO CG  CD   sing N N 284 
PRO CG  HG2  sing N N 285 
PRO CG  HG3  sing N N 286 
PRO CD  HD2  sing N N 287 
PRO CD  HD3  sing N N 288 
PRO OXT HXT  sing N N 289 
SER N   CA   sing N N 290 
SER N   H    sing N N 291 
SER N   H2   sing N N 292 
SER CA  C    sing N N 293 
SER CA  CB   sing N N 294 
SER CA  HA   sing N N 295 
SER C   O    doub N N 296 
SER C   OXT  sing N N 297 
SER CB  OG   sing N N 298 
SER CB  HB2  sing N N 299 
SER CB  HB3  sing N N 300 
SER OG  HG   sing N N 301 
SER OXT HXT  sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)' 'United States' GM58670          1 
'Department of Defense (DOD, United States)'                                               'United States' W81XWH-17-1-0429 2 
# 
_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   1ZKZ 
_pdbx_initial_refinement_model.details          ? 
# 
_pdbx_serial_crystallography_sample_delivery.diffrn_id     1 
_pdbx_serial_crystallography_sample_delivery.description   ? 
_pdbx_serial_crystallography_sample_delivery.method        'fixed target' 
# 
_space_group.name_H-M_alt     'I 41 2 2' 
_space_group.name_Hall        'I 4bw 2bw' 
_space_group.IT_number        98 
_space_group.crystal_system   tetragonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    9DPW 
_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]   0.014065 
_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]   0.014065 
_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]   0.006871 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C    ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
CL   ? ? 9.50761 7.44341 ? ? 1.04373  23.83732 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H    ? ? ?       ?       ? ? ?        ?        ? ? ?   ? ? 
N    ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
NA   ? ? 9.38062 1.54875 ? ? 3.38349  72.32734 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
NA1+ ? ? 9.95753 ?       ? ? 4.19129  ?        ? ? 0.0 
;1-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O    ? ? 7.96527 ?       ? ? 9.05267  ?        ? ? 0.0 
;1-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S    ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
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    . SER A 1 6   ? 15.84600 4.43800  28.05100  1.000 111.70676 ? 325 SER A N    1 
ATOM   2    C  CA   . SER A 1 6   ? 15.25700 5.33600  27.05500  1.000 114.41736 ? 325 SER A CA   1 
ATOM   3    C  C    . SER A 1 6   ? 16.04500 6.63500  26.89100  1.000 111.83499 ? 325 SER A C    1 
ATOM   4    O  O    . SER A 1 6   ? 15.45900 7.68200  26.61600  1.000 108.19164 ? 325 SER A O    1 
ATOM   5    C  CB   . SER A 1 6   ? 13.81000 5.65500  27.42500  1.000 116.51073 ? 325 SER A CB   1 
ATOM   6    O  OG   . SER A 1 6   ? 13.74300 6.42600  28.61300  1.000 114.53035 ? 325 SER A OG   1 
ATOM   7    H  HA   . SER A 1 6   ? 15.28800 4.87100  26.20400  1.000 137.48867 ? 325 SER A HA   1 
ATOM   8    H  HB2  . SER A 1 6   ? 13.38700 6.13800  26.69800  1.000 140.00071 ? 325 SER A HB2  1 
ATOM   9    H  HB3  . SER A 1 6   ? 13.31400 4.83000  27.54400  1.000 140.00071 ? 325 SER A HB3  1 
ATOM   10   H  HG   . SER A 1 6   ? 13.87800 7.23500  28.43000  1.000 137.62425 ? 325 SER A HG   1 
ATOM   11   N  N    . HIS A 1 7   ? 17.36200 6.52200  26.94800  1.000 109.24690 ? 326 HIS A N    1 
ATOM   12   C  CA   . HIS A 1 7   ? 18.24300 7.66900  26.89200  1.000 104.26164 ? 326 HIS A CA   1 
ATOM   13   C  C    . HIS A 1 7   ? 19.13000 7.60300  25.65400  1.000 81.54164  ? 326 HIS A C    1 
ATOM   14   O  O    . HIS A 1 7   ? 19.10700 6.63200  24.89200  1.000 94.87164  ? 326 HIS A O    1 
ATOM   15   C  CB   . HIS A 1 7   ? 19.05300 7.75700  28.18600  1.000 113.65164 ? 326 HIS A CB   1 
ATOM   16   C  CG   . HIS A 1 7   ? 18.28200 8.36700  29.31400  1.000 113.91145 ? 326 HIS A CG   1 
ATOM   17   N  ND1  . HIS A 1 7   ? 17.95900 9.70600  29.33400  1.000 119.95164 ? 326 HIS A ND1  1 
ATOM   18   C  CD2  . HIS A 1 7   ? 17.75800 7.84300  30.42700  1.000 118.12036 ? 326 HIS A CD2  1 
ATOM   19   C  CE1  . HIS A 1 7   ? 17.27500 9.97100  30.43400  1.000 104.98164 ? 326 HIS A CE1  1 
ATOM   20   N  NE2  . HIS A 1 7   ? 17.13700 8.85500  31.11100  1.000 110.30492 ? 326 HIS A NE2  1 
ATOM   21   H  H    . HIS A 1 7   ? 17.77100 5.76900  27.02100  1.000 131.28412 ? 326 HIS A H    1 
ATOM   22   H  HA   . HIS A 1 7   ? 17.71800 8.48100  26.81600  1.000 125.30180 ? 326 HIS A HA   1 
ATOM   23   H  HB2  . HIS A 1 7   ? 19.34300 6.86700  28.44200  1.000 136.56980 ? 326 HIS A HB2  1 
ATOM   24   H  HB3  . HIS A 1 7   ? 19.85300 8.28100  28.02600  1.000 136.56980 ? 326 HIS A HB3  1 
ATOM   25   H  HD1  . HIS A 1 7   ? 18.16900 10.27800 28.72700  1.000 144.12980 ? 326 HIS A HD1  1 
ATOM   26   H  HD2  . HIS A 1 7   ? 17.80600 6.95200  30.69000  1.000 141.93227 ? 326 HIS A HD2  1 
ATOM   27   H  HE1  . HIS A 1 7   ? 16.94800 10.80500 30.68500  1.000 126.16580 ? 326 HIS A HE1  1 
ATOM   28   H  HE2  . HIS A 1 7   ? 16.72400 8.77200  31.86100  1.000 132.55375 ? 326 HIS A HE2  1 
ATOM   29   N  N    . CYS A 1 8   ? 19.90000 8.67300  25.45700  1.000 72.33959  ? 327 CYS A N    1 
ATOM   30   C  CA   . CYS A 1 8   ? 20.66600 8.87400  24.23100  1.000 71.10647  ? 327 CYS A CA   1 
ATOM   31   C  C    . CYS A 1 8   ? 21.58300 7.69000  23.95200  1.000 53.39337  ? 327 CYS A C    1 
ATOM   32   O  O    . CYS A 1 8   ? 22.46200 7.37100  24.75800  1.000 56.45479  ? 327 CYS A O    1 
ATOM   33   C  CB   . CYS A 1 8   ? 21.47400 10.16800 24.34900  1.000 59.04613  ? 327 CYS A CB   1 
ATOM   34   S  SG   . CYS A 1 8   ? 22.53300 10.59600 22.94500  1.000 59.93023  ? 327 CYS A SG   1 
ATOM   35   H  H    . CYS A 1 8   ? 19.99200 9.30400  26.03400  1.000 86.99534  ? 327 CYS A H    1 
ATOM   36   H  HA   . CYS A 1 8   ? 20.05100 8.94400  23.48500  1.000 85.51560  ? 327 CYS A HA   1 
ATOM   37   H  HB2  . CYS A 1 8   ? 20.85400 10.90000 24.49500  1.000 71.04320  ? 327 CYS A HB2  1 
ATOM   38   H  HB3  . CYS A 1 8   ? 22.03100 10.10600 25.14100  1.000 71.04320  ? 327 CYS A HB3  1 
ATOM   39   N  N    . GLN A 1 9   ? 21.37800 7.03800  22.80800  1.000 50.87243  ? 328 GLN A N    1 
ATOM   40   C  CA   . GLN A 1 9   ? 22.16600 5.86500  22.45100  1.000 61.68417  ? 328 GLN A CA   1 
ATOM   41   C  C    . GLN A 1 9   ? 22.13000 5.67300  20.93800  1.000 55.71231  ? 328 GLN A C    1 
ATOM   42   O  O    . GLN A 1 9   ? 21.43000 6.38700  20.21400  1.000 57.75164  ? 328 GLN A O    1 
ATOM   43   C  CB   . GLN A 1 9   ? 21.65900 4.61800  23.17700  1.000 69.57928  ? 328 GLN A CB   1 
ATOM   44   C  CG   . GLN A 1 9   ? 20.32800 4.08300  22.67200  1.000 84.99584  ? 328 GLN A CG   1 
ATOM   45   C  CD   . GLN A 1 9   ? 20.18400 2.62300  22.97800  1.000 97.23134  ? 328 GLN A CD   1 
ATOM   46   O  OE1  . GLN A 1 9   ? 20.90300 1.77700  22.43500  1.000 116.13164 ? 328 GLN A OE1  1 
ATOM   47   N  NE2  . GLN A 1 9   ? 19.24600 2.28900  23.84200  1.000 101.37492 ? 328 GLN A NE2  1 
ATOM   48   H  H    . GLN A 1 9   ? 20.78600 7.26100  22.22600  1.000 61.23475  ? 328 GLN A H    1 
ATOM   49   H  HA   . GLN A 1 9   ? 23.08400 6.00500  22.73000  1.000 74.20885  ? 328 GLN A HA   1 
ATOM   50   H  HB2  . GLN A 1 9   ? 22.32600 3.91800  23.09600  1.000 83.68298  ? 328 GLN A HB2  1 
ATOM   51   H  HB3  . GLN A 1 9   ? 21.57400 4.82100  24.12200  1.000 83.68298  ? 328 GLN A HB3  1 
ATOM   52   H  HG2  . GLN A 1 9   ? 19.60100 4.57600  23.08300  1.000 102.18284 ? 328 GLN A HG2  1 
ATOM   53   H  HG3  . GLN A 1 9   ? 20.26100 4.22400  21.71500  1.000 102.18284 ? 328 GLN A HG3  1 
ATOM   54   H  HE21 . GLN A 1 9   ? 18.76000 2.89800  24.20500  1.000 121.83775 ? 328 GLN A HE21 1 
ATOM   55   H  HE22 . GLN A 1 9   ? 19.12100 1.46200  24.04200  1.000 121.83775 ? 328 GLN A HE22 1 
ATOM   56   N  N    . LYS A 1 10  ? 22.88800 4.68200  20.47100  1.000 52.18595  ? 329 LYS A N    1 
ATOM   57   C  CA   . LYS A 1 10  ? 23.06700 4.40600  19.05000  1.000 51.45804  ? 329 LYS A CA   1 
ATOM   58   C  C    . LYS A 1 10  ? 22.15100 3.25900  18.63500  1.000 51.09826  ? 329 LYS A C    1 
ATOM   59   O  O    . LYS A 1 10  ? 22.28300 2.14000  19.14200  1.000 61.36624  ? 329 LYS A O    1 
ATOM   60   C  CB   . LYS A 1 10  ? 24.52900 4.06100  18.75400  1.000 50.35617  ? 329 LYS A CB   1 
ATOM   61   C  CG   . LYS A 1 10  ? 24.89500 4.02900  17.27400  1.000 51.38322  ? 329 LYS A CG   1 
ATOM   62   C  CD   . LYS A 1 10  ? 26.36600 3.78800  17.05400  1.000 42.56164  ? 329 LYS A CD   1 
ATOM   63   C  CE   . LYS A 1 10  ? 26.71300 2.34100  17.15500  1.000 50.37164  ? 329 LYS A CE   1 
ATOM   64   N  NZ   . LYS A 1 10  ? 28.09700 2.09200  16.69300  1.000 70.93925  ? 329 LYS A NZ   1 
ATOM   65   H  H    . LYS A 1 10  ? 23.32000 4.14200  20.98200  1.000 62.81098  ? 329 LYS A H    1 
ATOM   66   H  HA   . LYS A 1 10  ? 22.83400 5.19700  18.53900  1.000 61.93749  ? 329 LYS A HA   1 
ATOM   67   H  HB2  . LYS A 1 10  ? 25.09700 4.70800  19.20000  1.000 60.61525  ? 329 LYS A HB2  1 
ATOM   68   H  HB3  . LYS A 1 10  ? 24.72800 3.19400  19.14200  1.000 60.61525  ? 329 LYS A HB3  1 
ATOM   69   H  HG2  . LYS A 1 10  ? 24.38500 3.33200  16.83200  1.000 61.84771  ? 329 LYS A HG2  1 
ATOM   70   H  HG3  . LYS A 1 10  ? 24.64200 4.87000  16.86200  1.000 61.84771  ? 329 LYS A HG3  1 
ATOM   71   H  HD2  . LYS A 1 10  ? 26.62100 4.12100  16.17900  1.000 51.26180  ? 329 LYS A HD2  1 
ATOM   72   H  HD3  . LYS A 1 10  ? 26.87700 4.28900  17.70800  1.000 51.26180  ? 329 LYS A HD3  1 
ATOM   73   H  HE2  . LYS A 1 10  ? 26.61800 2.04600  18.07400  1.000 60.63380  ? 329 LYS A HE2  1 
ATOM   74   H  HE3  . LYS A 1 10  ? 26.09200 1.81900  16.62300  1.000 60.63380  ? 329 LYS A HE3  1 
ATOM   75   H  HZ1  . LYS A 1 10  ? 28.12700 1.32200  16.24700  1.000 85.31494  ? 329 LYS A HZ1  1 
ATOM   76   H  HZ2  . LYS A 1 10  ? 28.35500 2.75500  16.15800  1.000 85.31494  ? 329 LYS A HZ2  1 
ATOM   77   H  HZ3  . LYS A 1 10  ? 28.64200 2.04900  17.39600  1.000 85.31494  ? 329 LYS A HZ3  1 
ATOM   78   N  N    . THR A 1 11  ? 21.22600 3.53900  17.72100  1.000 55.39029  ? 330 THR A N    1 
ATOM   79   C  CA   . THR A 1 11  ? 20.36500 2.52800  17.12300  1.000 55.92217  ? 330 THR A CA   1 
ATOM   80   C  C    . THR A 1 11  ? 20.73300 2.33900  15.65500  1.000 51.04960  ? 330 THR A C    1 
ATOM   81   O  O    . THR A 1 11  ? 21.53700 3.08300  15.08700  1.000 51.67746  ? 330 THR A O    1 
ATOM   82   C  CB   . THR A 1 11  ? 18.88300 2.90800  17.25100  1.000 55.45475  ? 330 THR A CB   1 
ATOM   83   O  OG1  . THR A 1 11  ? 18.64000 4.12200  16.53600  1.000 57.68617  ? 330 THR A OG1  1 
ATOM   84   C  CG2  . THR A 1 11  ? 18.48300 3.09900  18.71100  1.000 71.88755  ? 330 THR A CG2  1 
ATOM   85   H  H    . THR A 1 11  ? 21.08000 4.33400  17.42800  1.000 66.65619  ? 330 THR A H    1 
ATOM   86   H  HA   . THR A 1 11  ? 20.50000 1.69500  17.60000  1.000 67.29444  ? 330 THR A HA   1 
ATOM   87   H  HB   . THR A 1 11  ? 18.35300 2.18500  16.88000  1.000 66.73353  ? 330 THR A HB   1 
ATOM   88   H  HG1  . THR A 1 11  ? 19.24700 4.23800  15.96700  1.000 69.41125  ? 330 THR A HG1  1 
ATOM   89   H  HG21 . THR A 1 11  ? 17.54400 3.33800  18.76100  1.000 86.45290  ? 330 THR A HG21 1 
ATOM   90   H  HG22 . THR A 1 11  ? 18.63300 2.27400  19.19800  1.000 86.45290  ? 330 THR A HG22 1 
ATOM   91   H  HG23 . THR A 1 11  ? 19.01800 3.80700  19.10300  1.000 86.45290  ? 330 THR A HG23 1 
ATOM   92   N  N    . SER A 1 12  ? 20.12500 1.33000  15.03800  1.000 56.87164  ? 331 SER A N    1 
ATOM   93   C  CA   . SER A 1 12  ? 20.44300 0.98900  13.65900  1.000 58.47164  ? 331 SER A CA   1 
ATOM   94   C  C    . SER A 1 12  ? 19.73100 1.91600  12.68100  1.000 49.50569  ? 331 SER A C    1 
ATOM   95   O  O    . SER A 1 12  ? 18.62200 2.39600  12.93400  1.000 48.61131  ? 331 SER A O    1 
ATOM   96   C  CB   . SER A 1 12  ? 20.05800 -0.46000 13.35800  1.000 71.54164  ? 331 SER A CB   1 
ATOM   97   O  OG   . SER A 1 12  ? 20.80000 -1.36700 14.15400  1.000 104.79164 ? 331 SER A OG   1 
ATOM   98   H  H    . SER A 1 12  ? 19.52600 0.83200  15.40200  1.000 68.43380  ? 331 SER A H    1 
ATOM   99   H  HA   . SER A 1 12  ? 21.40100 1.09600  13.54800  1.000 70.35380  ? 331 SER A HA   1 
ATOM   100  H  HB2  . SER A 1 12  ? 19.11000 -0.58500 13.52000  1.000 86.03780  ? 331 SER A HB2  1 
ATOM   101  H  HB3  . SER A 1 12  ? 20.21200 -0.64900 12.41900  1.000 86.03780  ? 331 SER A HB3  1 
ATOM   102  H  HG   . SER A 1 12  ? 20.57000 -2.15400 13.97100  1.000 125.93780 ? 331 SER A HG   1 
ATOM   103  N  N    . LEU A 1 13  ? 20.39000 2.16500  11.55100  1.000 49.30402  ? 332 LEU A N    1 
ATOM   104  C  CA   . LEU A 1 13  ? 19.78700 2.89800  10.44000  1.000 40.58013  ? 332 LEU A CA   1 
ATOM   105  C  C    . LEU A 1 13  ? 20.47900 2.44600  9.16400   1.000 43.59285  ? 332 LEU A C    1 
ATOM   106  O  O    . LEU A 1 13  ? 21.62900 2.81900  8.91500   1.000 36.75164  ? 332 LEU A O    1 
ATOM   107  C  CB   . LEU A 1 13  ? 19.91200 4.40700  10.62100  1.000 40.14006  ? 332 LEU A CB   1 
ATOM   108  C  CG   . LEU A 1 13  ? 19.41700 5.22700  9.42400   1.000 46.13998  ? 332 LEU A CG   1 
ATOM   109  C  CD1  . LEU A 1 13  ? 17.94100 5.02000  9.20100   1.000 42.30705  ? 332 LEU A CD1  1 
ATOM   110  C  CD2  . LEU A 1 13  ? 19.73600 6.70800  9.61500   1.000 40.66446  ? 332 LEU A CD2  1 
ATOM   111  H  H    . LEU A 1 13  ? 21.20000 1.91300  11.40700  1.000 59.35266  ? 332 LEU A H    1 
ATOM   112  H  HA   . LEU A 1 13  ? 18.83700 2.70700  10.40000  1.000 48.88400  ? 332 LEU A HA   1 
ATOM   113  H  HB2  . LEU A 1 13  ? 19.41200 4.67000  11.40900  1.000 48.35591  ? 332 LEU A HB2  1 
ATOM   114  H  HB3  . LEU A 1 13  ? 20.84200 4.62700  10.78800  1.000 48.35591  ? 332 LEU A HB3  1 
ATOM   115  H  HG   . LEU A 1 13  ? 19.88400 4.91600  8.63300   1.000 55.55581  ? 332 LEU A HG   1 
ATOM   116  H  HD11 . LEU A 1 13  ? 17.65100 5.54800  8.44000   1.000 50.95630  ? 332 LEU A HD11 1 
ATOM   117  H  HD12 . LEU A 1 13  ? 17.76800 4.08100  9.02800   1.000 50.95630  ? 332 LEU A HD12 1 
ATOM   118  H  HD13 . LEU A 1 13  ? 17.45200 5.29800  9.99100   1.000 50.95630  ? 332 LEU A HD13 1 
ATOM   119  H  HD21 . LEU A 1 13  ? 19.41600 7.21000  8.84900   1.000 48.98519  ? 332 LEU A HD21 1 
ATOM   120  H  HD22 . LEU A 1 13  ? 19.30000 7.03200  10.41800  1.000 48.98519  ? 332 LEU A HD22 1 
ATOM   121  H  HD23 . LEU A 1 13  ? 20.69500 6.82400  9.69900   1.000 48.98519  ? 332 LEU A HD23 1 
ATOM   122  N  N    . ARG A 1 14  ? 19.78400 1.64200  8.36600   1.000 48.89164  ? 333 ARG A N    1 
ATOM   123  C  CA   . ARG A 1 14  ? 20.30700 1.16900  7.09200   1.000 54.05900  ? 333 ARG A CA   1 
ATOM   124  C  C    . ARG A 1 14  ? 19.89100 2.14200  5.99600   1.000 38.62463  ? 333 ARG A C    1 
ATOM   125  O  O    . ARG A 1 14  ? 18.69600 2.38800  5.79800   1.000 57.87164  ? 333 ARG A O    1 
ATOM   126  C  CB   . ARG A 1 14  ? 19.80300 -0.24200 6.80000   1.000 64.98259  ? 333 ARG A CB   1 
ATOM   127  C  CG   . ARG A 1 14  ? 20.17300 -0.76300 5.43000   1.000 85.41209  ? 333 ARG A CG   1 
ATOM   128  C  CD   . ARG A 1 14  ? 20.14500 -2.28000 5.40500   1.000 105.92892 ? 333 ARG A CD   1 
ATOM   129  N  NE   . ARG A 1 14  ? 21.33500 -2.85400 6.02300   1.000 111.30922 ? 333 ARG A NE   1 
ATOM   130  C  CZ   . ARG A 1 14  ? 22.55800 -2.77900 5.51100   1.000 109.58418 ? 333 ARG A CZ   1 
ATOM   131  N  NH1  . ARG A 1 14  ? 22.76700 -2.34300 4.28000   1.000 110.92164 ? 333 ARG A NH1  1 
ATOM   132  N  NH2  . ARG A 1 14  ? 23.59700 -3.16500 6.24800   1.000 118.52851 ? 333 ARG A NH2  1 
ATOM   133  H  H    . ARG A 1 14  ? 18.99400 1.35500  8.55000   1.000 58.85780  ? 333 ARG A H    1 
ATOM   134  H  HA   . ARG A 1 14  ? 21.27600 1.13000  7.12800   1.000 65.05864  ? 333 ARG A HA   1 
ATOM   135  H  HB2  . ARG A 1 14  ? 20.15800 -0.84600 7.47100   1.000 78.16694  ? 333 ARG A HB2  1 
ATOM   136  H  HB3  . ARG A 1 14  ? 18.83700 -0.25400 6.88900   1.000 78.16694  ? 333 ARG A HB3  1 
ATOM   137  H  HG2  . ARG A 1 14  ? 19.55600 -0.41300 4.76900   1.000 102.68235 ? 333 ARG A HG2  1 
ATOM   138  H  HG3  . ARG A 1 14  ? 21.05800 -0.44800 5.18700   1.000 102.68235 ? 333 ARG A HG3  1 
ATOM   139  H  HD2  . ARG A 1 14  ? 19.35500 -2.59700 5.87000   1.000 127.30254 ? 333 ARG A HD2  1 
ATOM   140  H  HD3  . ARG A 1 14  ? 20.07700 -2.58700 4.48700   1.000 127.30254 ? 333 ARG A HD3  1 
ATOM   141  H  HE   . ARG A 1 14  ? 21.23800 -3.26900 6.77000   1.000 133.75890 ? 333 ARG A HE   1 
ATOM   142  H  HH11 . ARG A 1 14  ? 22.10200 -2.10000 3.79100   1.000 133.29380 ? 333 ARG A HH11 1 
ATOM   143  H  HH12 . ARG A 1 14  ? 23.56700 -2.30300 3.96800   1.000 133.29380 ? 333 ARG A HH12 1 
ATOM   144  H  HH21 . ARG A 1 14  ? 23.47200 -3.45900 7.04600   1.000 142.42205 ? 333 ARG A HH21 1 
ATOM   145  H  HH22 . ARG A 1 14  ? 24.39300 -3.12000 5.92600   1.000 142.42205 ? 333 ARG A HH22 1 
ATOM   146  N  N    . VAL A 1 15  ? 20.87300 2.69500  5.29000   1.000 40.95566  ? 334 VAL A N    1 
ATOM   147  C  CA   . VAL A 1 15  ? 20.65400 3.76900  4.32800   1.000 46.42790  ? 334 VAL A CA   1 
ATOM   148  C  C    . VAL A 1 15  ? 20.91500 3.23400  2.92800   1.000 46.57164  ? 334 VAL A C    1 
ATOM   149  O  O    . VAL A 1 15  ? 22.04500 2.85100  2.59900   1.000 51.68164  ? 334 VAL A O    1 
ATOM   150  C  CB   . VAL A 1 15  ? 21.54200 4.98300  4.63200   1.000 50.19638  ? 334 VAL A CB   1 
ATOM   151  C  CG1  . VAL A 1 15  ? 21.47800 6.00900  3.49100   1.000 53.68164  ? 334 VAL A CG1  1 
ATOM   152  C  CG2  . VAL A 1 15  ? 21.12700 5.59800  5.96200   1.000 50.71351  ? 334 VAL A CG2  1 
ATOM   153  H  H    . VAL A 1 15  ? 21.69600 2.45300  5.35800   1.000 49.33463  ? 334 VAL A H    1 
ATOM   154  H  HA   . VAL A 1 15  ? 19.73500 4.07200  4.39200   1.000 55.90132  ? 334 VAL A HA   1 
ATOM   155  H  HB   . VAL A 1 15  ? 22.46500 4.69300  4.70200   1.000 60.42350  ? 334 VAL A HB   1 
ATOM   156  H  HG11 . VAL A 1 15  ? 22.04600 6.76600  3.70400   1.000 64.60580  ? 334 VAL A HG11 1 
ATOM   157  H  HG12 . VAL A 1 15  ? 21.78400 5.59700  2.66800   1.000 64.60580  ? 334 VAL A HG12 1 
ATOM   158  H  HG13 . VAL A 1 15  ? 20.56300 6.31200  3.37900   1.000 64.60580  ? 334 VAL A HG13 1 
ATOM   159  H  HG21 . VAL A 1 15  ? 21.68900 6.36500  6.15300   1.000 61.04405  ? 334 VAL A HG21 1 
ATOM   160  H  HG22 . VAL A 1 15  ? 20.20000 5.88100  5.91300   1.000 61.04405  ? 334 VAL A HG22 1 
ATOM   161  H  HG23 . VAL A 1 15  ? 21.22700 4.94000  6.66800   1.000 61.04405  ? 334 VAL A HG23 1 
ATOM   162  N  N    . ASN A 1 16  ? 19.86900 3.21300  2.10700   1.000 58.93293  ? 335 ASN A N    1 
ATOM   163  C  CA   . ASN A 1 16  ? 19.97200 2.83500  0.70300   1.000 51.02805  ? 335 ASN A CA   1 
ATOM   164  C  C    . ASN A 1 16  ? 20.29900 4.08400  -0.11100  1.000 42.53164  ? 335 ASN A C    1 
ATOM   165  O  O    . ASN A 1 16  ? 19.57200 5.08100  -0.04100  1.000 56.90964  ? 335 ASN A O    1 
ATOM   166  C  CB   . ASN A 1 16  ? 18.66500 2.18700  0.24000   1.000 69.26854  ? 335 ASN A CB   1 
ATOM   167  C  CG   . ASN A 1 16  ? 18.66700 1.84300  -1.23600  1.000 76.58766  ? 335 ASN A CG   1 
ATOM   168  O  OD1  . ASN A 1 16  ? 18.71800 2.72900  -2.09000  1.000 71.58487  ? 335 ASN A OD1  1 
ATOM   169  N  ND2  . ASN A 1 16  ? 18.61200 0.55900  -1.55900  1.000 81.83692  ? 335 ASN A ND2  1 
ATOM   170  H  H    . ASN A 1 16  ? 19.07100 3.42000  2.35300   1.000 70.90735  ? 335 ASN A H    1 
ATOM   171  H  HA   . ASN A 1 16  ? 20.67900 2.18300  0.57600   1.000 61.42150  ? 335 ASN A HA   1 
ATOM   172  H  HB2  . ASN A 1 16  ? 18.50900 1.38000  0.75500   1.000 83.31008  ? 335 ASN A HB2  1 
ATOM   173  H  HB3  . ASN A 1 16  ? 17.92700 2.78900  0.42600   1.000 83.31008  ? 335 ASN A HB3  1 
ATOM   174  H  HD21 . ASN A 1 16  ? 18.61100 0.32300  -2.38600  1.000 98.39214  ? 335 ASN A HD21 1 
ATOM   175  H  HD22 . ASN A 1 16  ? 18.57700 -0.03900 -0.94200  1.000 98.39214  ? 335 ASN A HD22 1 
ATOM   176  N  N    . PHE A 1 17  ? 21.39200 4.03100  -0.88200  1.000 47.54746  ? 336 PHE A N    1 
ATOM   177  C  CA   . PHE A 1 17  ? 21.85200 5.21200  -1.61200  1.000 53.31508  ? 336 PHE A CA   1 
ATOM   178  C  C    . PHE A 1 17  ? 20.89600 5.63400  -2.72500  1.000 56.66337  ? 336 PHE A C    1 
ATOM   179  O  O    . PHE A 1 17  ? 20.91800 6.80200  -3.12900  1.000 60.71164  ? 336 PHE A O    1 
ATOM   180  C  CB   . PHE A 1 17  ? 23.25400 4.97000  -2.19000  1.000 49.62507  ? 336 PHE A CB   1 
ATOM   181  C  CG   . PHE A 1 17  ? 24.35700 5.03200  -1.16100  1.000 53.42943  ? 336 PHE A CG   1 
ATOM   182  C  CD1  . PHE A 1 17  ? 24.73100 6.24000  -0.59900  1.000 56.69337  ? 336 PHE A CD1  1 
ATOM   183  C  CD2  . PHE A 1 17  ? 24.99600 3.88300  -0.73100  1.000 51.53464  ? 336 PHE A CD2  1 
ATOM   184  C  CE1  . PHE A 1 17  ? 25.73500 6.29700  0.35700   1.000 49.25118  ? 336 PHE A CE1  1 
ATOM   185  C  CE2  . PHE A 1 17  ? 25.99800 3.94700  0.22200   1.000 49.14181  ? 336 PHE A CE2  1 
ATOM   186  C  CZ   . PHE A 1 17  ? 26.36100 5.15200  0.76200   1.000 48.41941  ? 336 PHE A CZ   1 
ATOM   187  H  H    . PHE A 1 17  ? 21.87400 3.32800  -0.99300  1.000 57.24479  ? 336 PHE A H    1 
ATOM   188  H  HA   . PHE A 1 17  ? 21.88100 5.94000  -0.97100  1.000 64.16594  ? 336 PHE A HA   1 
ATOM   189  H  HB2  . PHE A 1 17  ? 23.27200 4.10000  -2.61900  1.000 59.73792  ? 336 PHE A HB2  1 
ATOM   190  H  HB3  . PHE A 1 17  ? 23.42900 5.63000  -2.87900  1.000 59.73792  ? 336 PHE A HB3  1 
ATOM   191  H  HD1  . PHE A 1 17  ? 24.30500 7.02200  -0.86500  1.000 68.21988  ? 336 PHE A HD1  1 
ATOM   192  H  HD2  . PHE A 1 17  ? 24.75000 3.05900  -1.08600  1.000 62.02940  ? 336 PHE A HD2  1 
ATOM   193  H  HE1  . PHE A 1 17  ? 25.98200 7.11600  0.72300   1.000 59.28925  ? 336 PHE A HE1  1 
ATOM   194  H  HE2  . PHE A 1 17  ? 26.42600 3.16900  0.49700   1.000 59.15801  ? 336 PHE A HE2  1 
ATOM   195  H  HZ   . PHE A 1 17  ? 27.03300 5.19100  1.40400   1.000 58.29113  ? 336 PHE A HZ   1 
ATOM   196  N  N    . GLU A 1 18  ? 20.08300 4.70700  -3.23800  1.000 61.86486  ? 337 GLU A N    1 
ATOM   197  C  CA   . GLU A 1 18  ? 19.12800 5.05000  -4.28600  1.000 71.78164  ? 337 GLU A CA   1 
ATOM   198  C  C    . GLU A 1 18  ? 17.97600 5.88100  -3.73600  1.000 72.04272  ? 337 GLU A C    1 
ATOM   199  O  O    . GLU A 1 18  ? 17.40100 6.69800  -4.46500  1.000 67.49565  ? 337 GLU A O    1 
ATOM   200  C  CB   . GLU A 1 18  ? 18.60900 3.77200  -4.95200  1.000 88.75531  ? 337 GLU A CB   1 
ATOM   201  C  CG   . GLU A 1 18  ? 17.72100 3.99300  -6.16000  1.000 113.27109 ? 337 GLU A CG   1 
ATOM   202  C  CD   . GLU A 1 18  ? 17.07500 2.70700  -6.66500  1.000 131.22628 ? 337 GLU A CD   1 
ATOM   203  O  OE1  . GLU A 1 18  ? 17.07700 1.71500  -5.91200  1.000 137.39164 ? 337 GLU A OE1  1 
ATOM   204  O  OE2  . GLU A 1 18  ? 16.57500 2.70500  -7.80600  1.000 137.51029 ? 337 GLU A OE2  1 
ATOM   205  H  H    . GLU A 1 18  ? 20.07100 3.88300  -2.99400  1.000 74.42567  ? 337 GLU A H    1 
ATOM   206  H  HA   . GLU A 1 18  ? 19.58200 5.59000  -4.95100  1.000 86.32580  ? 337 GLU A HA   1 
ATOM   207  H  HB2  . GLU A 1 18  ? 19.36900 3.23200  -5.22100  1.000 106.69421 ? 337 GLU A HB2  1 
ATOM   208  H  HB3  . GLU A 1 18  ? 18.11500 3.25900  -4.29400  1.000 106.69421 ? 337 GLU A HB3  1 
ATOM   209  H  HG2  . GLU A 1 18  ? 17.02600 4.63100  -5.93300  1.000 136.11314 ? 337 GLU A HG2  1 
ATOM   210  H  HG3  . GLU A 1 18  ? 18.24600 4.38800  -6.87400  1.000 136.11314 ? 337 GLU A HG3  1 
ATOM   211  N  N    . ASP A 1 19  ? 17.63400 5.69800  -2.45700  1.000 66.83326  ? 338 ASP A N    1 
ATOM   212  C  CA   . ASP A 1 19  ? 16.55500 6.48100  -1.86100  1.000 66.61164  ? 338 ASP A CA   1 
ATOM   213  C  C    . ASP A 1 19  ? 16.94800 7.94900  -1.71200  1.000 70.60164  ? 338 ASP A C    1 
ATOM   214  O  O    . ASP A 1 19  ? 16.11100 8.83900  -1.90100  1.000 75.67164  ? 338 ASP A O    1 
ATOM   215  C  CB   . ASP A 1 19  ? 16.15900 5.89800  -0.50100  1.000 77.63742  ? 338 ASP A CB   1 
ATOM   216  C  CG   . ASP A 1 19  ? 15.53000 4.50700  -0.60000  1.000 76.11003  ? 338 ASP A CG   1 
ATOM   217  O  OD1  . ASP A 1 19  ? 15.25400 4.04300  -1.72300  1.000 77.97164  ? 338 ASP A OD1  1 
ATOM   218  O  OD2  . ASP A 1 19  ? 15.34800 3.90200  0.47200   1.000 86.79164  ? 338 ASP A OD2  1 
ATOM   219  H  H    . ASP A 1 19  ? 18.00900 5.13400  -1.92700  1.000 80.38775  ? 338 ASP A H    1 
ATOM   220  H  HA   . ASP A 1 19  ? 15.79200 6.43500  -2.45800  1.000 80.12180  ? 338 ASP A HA   1 
ATOM   221  H  HB2  . ASP A 1 19  ? 16.94500 5.85100  0.06500   1.000 93.35274  ? 338 ASP A HB2  1 
ATOM   222  H  HB3  . ASP A 1 19  ? 15.53300 6.49900  -0.06800  1.000 93.35274  ? 338 ASP A HB3  1 
ATOM   223  N  N    . ILE A 1 20  ? 18.21200 8.22600  -1.37800  1.000 59.19164  ? 339 ILE A N    1 
ATOM   224  C  CA   . ILE A 1 20  ? 18.65000 9.59800  -1.12400  1.000 57.05349  ? 339 ILE A CA   1 
ATOM   225  C  C    . ILE A 1 20  ? 19.16700 10.24300 -2.40200  1.000 61.70164  ? 339 ILE A C    1 
ATOM   226  O  O    . ILE A 1 20  ? 19.68500 11.36600 -2.37600  1.000 79.86164  ? 339 ILE A O    1 
ATOM   227  C  CB   . ILE A 1 20  ? 19.71900 9.66500  -0.01400  1.000 61.49071  ? 339 ILE A CB   1 
ATOM   228  C  CG1  . ILE A 1 20  ? 21.05100 9.03700  -0.46200  1.000 60.50168  ? 339 ILE A CG1  1 
ATOM   229  C  CG2  . ILE A 1 20  ? 19.19300 9.02700  1.25500   1.000 46.19351  ? 339 ILE A CG2  1 
ATOM   230  C  CD1  . ILE A 1 20  ? 22.18200 9.23000  0.53800   1.000 53.81971  ? 339 ILE A CD1  1 
ATOM   231  H  H    . ILE A 1 20  ? 18.82900 7.63300  -1.29400  1.000 71.21780  ? 339 ILE A H    1 
ATOM   232  H  HA   . ILE A 1 20  ? 17.87700 10.09500 -0.81400  1.000 68.65203  ? 339 ILE A HA   1 
ATOM   233  H  HB   . ILE A 1 20  ? 19.90600 10.59900 0.17100   1.000 73.97669  ? 339 ILE A HB   1 
ATOM   234  H  HG12 . ILE A 1 20  ? 20.91900 8.08800  -0.61000  1.000 72.78986  ? 339 ILE A HG12 1 
ATOM   235  H  HG13 . ILE A 1 20  ? 21.31200 9.42300  -1.31300  1.000 72.78986  ? 339 ILE A HG13 1 
ATOM   236  H  HG21 . ILE A 1 20  ? 19.87200 9.07400  1.94600   1.000 55.62005  ? 339 ILE A HG21 1 
ATOM   237  H  HG22 . ILE A 1 20  ? 18.39900 9.49900  1.55000   1.000 55.62005  ? 339 ILE A HG22 1 
ATOM   238  H  HG23 . ILE A 1 20  ? 18.97100 8.09900  1.08300   1.000 55.62005  ? 339 ILE A HG23 1 
ATOM   239  H  HD11 . ILE A 1 20  ? 22.98900 8.81300  0.19800   1.000 64.77150  ? 339 ILE A HD11 1 
ATOM   240  H  HD12 . ILE A 1 20  ? 22.33900 10.17800 0.67000   1.000 64.77150  ? 339 ILE A HD12 1 
ATOM   241  H  HD13 . ILE A 1 20  ? 21.94000 8.82200  1.38400   1.000 64.77150  ? 339 ILE A HD13 1 
ATOM   242  N  N    . GLY A 1 21  ? 19.03100 9.54800  -3.52700  1.000 49.70164  ? 340 GLY A N    1 
ATOM   243  C  CA   . GLY A 1 21  ? 19.45200 10.11900 -4.78900  1.000 52.86251  ? 340 GLY A CA   1 
ATOM   244  C  C    . GLY A 1 21  ? 20.94600 10.24300 -4.97300  1.000 59.23382  ? 340 GLY A C    1 
ATOM   245  O  O    . GLY A 1 21  ? 21.39300 11.05100 -5.79100  1.000 71.87482  ? 340 GLY A O    1 
ATOM   246  H  H    . GLY A 1 21  ? 18.70100 8.75500  -3.57700  1.000 59.82980  ? 340 GLY A H    1 
ATOM   247  H  HA2  . GLY A 1 21  ? 19.09600 9.57400  -5.50900  1.000 63.62284  ? 340 GLY A HA2  1 
ATOM   248  H  HA3  . GLY A 1 21  ? 19.05600 11.00000 -4.87700  1.000 63.62284  ? 340 GLY A HA3  1 
ATOM   249  N  N    . TRP A 1 22  ? 21.73700 9.47500  -4.22800  1.000 57.53818  ? 341 TRP A N    1 
ATOM   250  C  CA   . TRP A 1 22  ? 23.17500 9.40300  -4.44100  1.000 61.96117  ? 341 TRP A CA   1 
ATOM   251  C  C    . TRP A 1 22  ? 23.56500 8.25700  -5.36900  1.000 60.46671  ? 341 TRP A C    1 
ATOM   252  O  O    . TRP A 1 22  ? 24.76000 7.99400  -5.54500  1.000 65.59164  ? 341 TRP A O    1 
ATOM   253  C  CB   . TRP A 1 22  ? 23.90500 9.26400  -3.10000  1.000 59.96063  ? 341 TRP A CB   1 
ATOM   254  C  CG   . TRP A 1 22  ? 23.96600 10.53600 -2.28900  1.000 53.31572  ? 341 TRP A CG   1 
ATOM   255  C  CD1  . TRP A 1 22  ? 23.30100 11.70000 -2.53500  1.000 57.77561  ? 341 TRP A CD1  1 
ATOM   256  C  CD2  . TRP A 1 22  ? 24.74700 10.76200 -1.11800  1.000 56.59107  ? 341 TRP A CD2  1 
ATOM   257  N  NE1  . TRP A 1 22  ? 23.61400 12.63400 -1.58000  1.000 46.01648  ? 341 TRP A NE1  1 
ATOM   258  C  CE2  . TRP A 1 22  ? 24.50100 12.08500 -0.69800  1.000 45.40827  ? 341 TRP A CE2  1 
ATOM   259  C  CE3  . TRP A 1 22  ? 25.62800 9.97000  -0.37200  1.000 53.29061  ? 341 TRP A CE3  1 
ATOM   260  C  CZ2  . TRP A 1 22  ? 25.10700 12.63300 0.42800   1.000 51.37302  ? 341 TRP A CZ2  1 
ATOM   261  C  CZ3  . TRP A 1 22  ? 26.23100 10.51600 0.74400   1.000 52.38054  ? 341 TRP A CZ3  1 
ATOM   262  C  CH2  . TRP A 1 22  ? 25.96600 11.83100 1.13600   1.000 58.64833  ? 341 TRP A CH2  1 
ATOM   263  H  H    . TRP A 1 22  ? 21.45200 8.98100  -3.58400  1.000 69.23366  ? 341 TRP A H    1 
ATOM   264  H  HA   . TRP A 1 22  ? 23.44200 10.23000 -4.87200  1.000 74.54124  ? 341 TRP A HA   1 
ATOM   265  H  HB2  . TRP A 1 22  ? 23.46400 8.57900  -2.57400  1.000 72.14059  ? 341 TRP A HB2  1 
ATOM   266  H  HB3  . TRP A 1 22  ? 24.81000 8.95600  -3.26700  1.000 72.14059  ? 341 TRP A HB3  1 
ATOM   267  H  HD1  . TRP A 1 22  ? 22.71900 11.84100 -3.24700  1.000 69.51857  ? 341 TRP A HD1  1 
ATOM   268  H  HE1  . TRP A 1 22  ? 23.30200 13.43500 -1.54300  1.000 55.40762  ? 341 TRP A HE1  1 
ATOM   269  H  HE3  . TRP A 1 22  ? 25.80400 9.09200  -0.62300  1.000 64.13657  ? 341 TRP A HE3  1 
ATOM   270  H  HZ2  . TRP A 1 22  ? 24.93600 13.50900 0.69100   1.000 61.83546  ? 341 TRP A HZ2  1 
ATOM   271  H  HZ3  . TRP A 1 22  ? 26.82300 10.00000 1.24300   1.000 63.04448  ? 341 TRP A HZ3  1 
ATOM   272  H  HH2  . TRP A 1 22  ? 26.38200 12.17100 1.89500   1.000 70.56584  ? 341 TRP A HH2  1 
ATOM   273  N  N    . ASP A 1 23  ? 22.58200 7.57700  -5.96800  1.000 70.19060  ? 342 ASP A N    1 
ATOM   274  C  CA   . ASP A 1 23  ? 22.86500 6.44900  -6.85000  1.000 77.92167  ? 342 ASP A CA   1 
ATOM   275  C  C    . ASP A 1 23  ? 23.57400 6.89200  -8.12400  1.000 80.35244  ? 342 ASP A C    1 
ATOM   276  O  O    . ASP A 1 23  ? 24.32200 6.10800  -8.71800  1.000 80.46164  ? 342 ASP A O    1 
ATOM   277  C  CB   . ASP A 1 23  ? 21.56200 5.72800  -7.19600  1.000 100.90164 ? 342 ASP A CB   1 
ATOM   278  C  CG   . ASP A 1 23  ? 21.77300 4.27900  -7.61500  1.000 124.08164 ? 342 ASP A CG   1 
ATOM   279  O  OD1  . ASP A 1 23  ? 22.87200 3.73700  -7.39900  1.000 132.53164 ? 342 ASP A OD1  1 
ATOM   280  O  OD2  . ASP A 1 23  ? 20.79400 3.69600  -8.11900  1.000 128.01629 ? 342 ASP A OD2  1 
ATOM   281  H  H    . ASP A 1 23  ? 21.74600 7.75600  -5.87400  1.000 84.41656  ? 342 ASP A H    1 
ATOM   282  H  HA   . ASP A 1 23  ? 23.46000 5.84300  -6.38100  1.000 93.69384  ? 342 ASP A HA   1 
ATOM   283  H  HB2  . ASP A 1 23  ? 20.97100 5.75400  -6.42800  1.000 121.26980 ? 342 ASP A HB2  1 
ATOM   284  H  HB3  . ASP A 1 23  ? 21.11600 6.20500  -7.91300  1.000 121.26980 ? 342 ASP A HB3  1 
ATOM   285  N  N    . SER A 1 24  ? 23.35500 8.13500  -8.55700  1.000 83.59164  ? 343 SER A N    1 
ATOM   286  C  CA   . SER A 1 24  ? 23.93900 8.60500  -9.80700  1.000 85.12337  ? 343 SER A CA   1 
ATOM   287  C  C    . SER A 1 24  ? 25.43800 8.85500  -9.70800  1.000 96.76164  ? 343 SER A C    1 
ATOM   288  O  O    . SER A 1 24  ? 26.07600 9.08000  -10.74200 1.000 105.57967 ? 343 SER A O    1 
ATOM   289  C  CB   . SER A 1 24  ? 23.22700 9.87600  -10.28200 1.000 104.45426 ? 343 SER A CB   1 
ATOM   290  O  OG   . SER A 1 24  ? 23.35900 10.93400 -9.34900  1.000 101.19390 ? 343 SER A OG   1 
ATOM   291  H  H    . SER A 1 24  ? 22.87400 8.71600  -8.14300  1.000 100.49780 ? 343 SER A H    1 
ATOM   292  H  HA   . SER A 1 24  ? 23.81300 7.89500  -10.45500 1.000 102.33588 ? 343 SER A HA   1 
ATOM   293  H  HB2  . SER A 1 24  ? 23.59300 10.15100 -11.13700 1.000 125.53295 ? 343 SER A HB2  1 
ATOM   294  H  HB3  . SER A 1 24  ? 22.28700 9.68600  -10.42400 1.000 125.53295 ? 343 SER A HB3  1 
ATOM   295  H  HG   . SER A 1 24  ? 22.96000 11.61400 -9.63800  1.000 121.62051 ? 343 SER A HG   1 
ATOM   296  N  N    . TRP A 1 25  ? 26.01800 8.82400  -8.50300  1.000 86.18388  ? 344 TRP A N    1 
ATOM   297  C  CA   . TRP A 1 25  ? 27.46600 8.93900  -8.37500  1.000 96.41987  ? 344 TRP A CA   1 
ATOM   298  C  C    . TRP A 1 25  ? 28.04800 7.96900  -7.35500  1.000 84.99278  ? 344 TRP A C    1 
ATOM   299  O  O    . TRP A 1 25  ? 29.21000 8.13500  -6.96200  1.000 100.59164 ? 344 TRP A O    1 
ATOM   300  C  CB   . TRP A 1 25  ? 27.87800 10.37600 -8.02500  1.000 106.64833 ? 344 TRP A CB   1 
ATOM   301  C  CG   . TRP A 1 25  ? 27.68200 10.79300 -6.58800  1.000 123.23164 ? 344 TRP A CG   1 
ATOM   302  C  CD1  . TRP A 1 25  ? 26.50000 10.90800 -5.91800  1.000 117.84164 ? 344 TRP A CD1  1 
ATOM   303  C  CD2  . TRP A 1 25  ? 28.70800 11.17800 -5.66200  1.000 113.51896 ? 344 TRP A CD2  1 
ATOM   304  N  NE1  . TRP A 1 25  ? 26.72700 11.33900 -4.62900  1.000 112.02164 ? 344 TRP A NE1  1 
ATOM   305  C  CE2  . TRP A 1 25  ? 28.07400 11.51400 -4.44700  1.000 106.08811 ? 344 TRP A CE2  1 
ATOM   306  C  CE3  . TRP A 1 25  ? 30.10400 11.27200 -5.74200  1.000 113.12280 ? 344 TRP A CE3  1 
ATOM   307  C  CZ2  . TRP A 1 25  ? 28.78600 11.93400 -3.32600  1.000 112.49164 ? 344 TRP A CZ2  1 
ATOM   308  C  CZ3  . TRP A 1 25  ? 30.80800 11.68800 -4.63000  1.000 107.46369 ? 344 TRP A CZ3  1 
ATOM   309  C  CH2  . TRP A 1 25  ? 30.15100 12.01500 -3.43900  1.000 110.74050 ? 344 TRP A CH2  1 
ATOM   310  H  H    . TRP A 1 25  ? 25.59400 8.73800  -7.76000  1.000 103.60849 ? 344 TRP A H    1 
ATOM   311  H  HA   . TRP A 1 25  ? 27.83300 8.70300  -9.24200  1.000 115.89168 ? 344 TRP A HA   1 
ATOM   312  H  HB2  . TRP A 1 25  ? 28.81500 10.48800 -8.25000  1.000 128.16583 ? 344 TRP A HB2  1 
ATOM   313  H  HB3  . TRP A 1 25  ? 27.37600 10.98400 -8.59000  1.000 128.16583 ? 344 TRP A HB3  1 
ATOM   314  H  HD1  . TRP A 1 25  ? 25.66300 10.72300 -6.27800  1.000 141.59780 ? 344 TRP A HD1  1 
ATOM   315  H  HE1  . TRP A 1 25  ? 26.12100 11.47600 -4.03400  1.000 134.61380 ? 344 TRP A HE1  1 
ATOM   316  H  HE3  . TRP A 1 25  ? 30.54800 11.05800 -6.53000  1.000 135.93520 ? 344 TRP A HE3  1 
ATOM   317  H  HZ2  . TRP A 1 25  ? 28.35300 12.15100 -2.53200  1.000 135.17780 ? 344 TRP A HZ2  1 
ATOM   318  H  HZ3  . TRP A 1 25  ? 31.73500 11.75200 -4.67300  1.000 129.14426 ? 344 TRP A HZ3  1 
ATOM   319  H  HH2  . TRP A 1 25  ? 30.65100 12.29400 -2.70600  1.000 133.07644 ? 344 TRP A HH2  1 
ATOM   320  N  N    . ILE A 1 26  ? 27.29100 6.96800  -6.91600  1.000 69.20164  ? 345 ILE A N    1 
ATOM   321  C  CA   . ILE A 1 26  ? 27.79800 5.91900  -6.04100  1.000 55.64825  ? 345 ILE A CA   1 
ATOM   322  C  C    . ILE A 1 26  ? 27.37100 4.58600  -6.63700  1.000 57.74153  ? 345 ILE A C    1 
ATOM   323  O  O    . ILE A 1 26  ? 26.18400 4.23700  -6.61600  1.000 49.11357  ? 345 ILE A O    1 
ATOM   324  C  CB   . ILE A 1 26  ? 27.31400 6.07700  -4.59200  1.000 54.21585  ? 345 ILE A CB   1 
ATOM   325  C  CG1  . ILE A 1 26  ? 28.07000 7.24500  -3.95500  1.000 49.54920  ? 345 ILE A CG1  1 
ATOM   326  C  CG2  . ILE A 1 26  ? 27.51000 4.78000  -3.79000  1.000 44.52178  ? 345 ILE A CG2  1 
ATOM   327  C  CD1  . ILE A 1 26  ? 27.72800 7.52500  -2.55500  1.000 51.87427  ? 345 ILE A CD1  1 
ATOM   328  H  H    . ILE A 1 26  ? 26.46000 6.87900  -7.12000  1.000 83.22980  ? 345 ILE A H    1 
ATOM   329  H  HA   . ILE A 1 26  ? 28.76500 5.97400  -5.99100  1.000 66.96573  ? 345 ILE A HA   1 
ATOM   330  H  HB   . ILE A 1 26  ? 26.36200 6.26300  -4.58600  1.000 65.24685  ? 345 ILE A HB   1 
ATOM   331  H  HG12 . ILE A 1 26  ? 29.02100 7.06400  -4.01000  1.000 59.64688  ? 345 ILE A HG12 1 
ATOM   332  H  HG13 . ILE A 1 26  ? 27.90300 8.04400  -4.47900  1.000 59.64688  ? 345 ILE A HG13 1 
ATOM   333  H  HG21 . ILE A 1 26  ? 27.19600 4.91000  -2.88200  1.000 53.61397  ? 345 ILE A HG21 1 
ATOM   334  H  HG22 . ILE A 1 26  ? 27.00600 4.06300  -4.20600  1.000 53.61397  ? 345 ILE A HG22 1 
ATOM   335  H  HG23 . ILE A 1 26  ? 28.45200 4.54700  -3.77600  1.000 53.61397  ? 345 ILE A HG23 1 
ATOM   336  H  HD11 . ILE A 1 26  ? 28.25300 8.27600  -2.23700  1.000 62.43696  ? 345 ILE A HD11 1 
ATOM   337  H  HD12 . ILE A 1 26  ? 26.78400 7.74000  -2.48900  1.000 62.43696  ? 345 ILE A HD12 1 
ATOM   338  H  HD13 . ILE A 1 26  ? 27.92000 6.74400  -2.01200  1.000 62.43696  ? 345 ILE A HD13 1 
ATOM   339  N  N    . ILE A 1 27  ? 28.33900 3.86000  -7.19400  1.000 64.22475  ? 346 ILE A N    1 
ATOM   340  C  CA   . ILE A 1 27  ? 28.06900 2.57900  -7.83600  1.000 57.47843  ? 346 ILE A CA   1 
ATOM   341  C  C    . ILE A 1 27  ? 27.75800 1.51900  -6.79300  1.000 58.45966  ? 346 ILE A C    1 
ATOM   342  O  O    . ILE A 1 27  ? 26.77300 0.77900  -6.89800  1.000 65.60164  ? 346 ILE A O    1 
ATOM   343  C  CB   . ILE A 1 27  ? 29.27900 2.17200  -8.69200  1.000 58.85570  ? 346 ILE A CB   1 
ATOM   344  C  CG1  . ILE A 1 27  ? 29.64600 3.29500  -9.65900  1.000 64.84440  ? 346 ILE A CG1  1 
ATOM   345  C  CG2  . ILE A 1 27  ? 29.03700 0.84900  -9.39400  1.000 59.38561  ? 346 ILE A CG2  1 
ATOM   346  C  CD1  . ILE A 1 27  ? 31.10200 3.32000  -9.94600  1.000 77.78164  ? 346 ILE A CD1  1 
ATOM   347  H  H    . ILE A 1 27  ? 29.16600 4.09600  -7.21000  1.000 77.25753  ? 346 ILE A H    1 
ATOM   348  H  HA   . ILE A 1 27  ? 27.29300 2.66400  -8.41200  1.000 69.16195  ? 346 ILE A HA   1 
ATOM   349  H  HB   . ILE A 1 27  ? 30.04200 2.03300  -8.10900  1.000 70.81468  ? 346 ILE A HB   1 
ATOM   350  H  HG12 . ILE A 1 27  ? 29.15500 3.18200  -10.48800 1.000 78.00112  ? 346 ILE A HG12 1 
ATOM   351  H  HG13 . ILE A 1 27  ? 29.37600 4.14700  -9.28300  1.000 78.00112  ? 346 ILE A HG13 1 
ATOM   352  H  HG21 . ILE A 1 27  ? 29.81500 0.61700  -9.92600  1.000 71.45057  ? 346 ILE A HG21 1 
ATOM   353  H  HG22 . ILE A 1 27  ? 28.87900 0.15600  -8.73400  1.000 71.45057  ? 346 ILE A HG22 1 
ATOM   354  H  HG23 . ILE A 1 27  ? 28.26200 0.92600  -9.97200  1.000 71.45057  ? 346 ILE A HG23 1 
ATOM   355  H  HD11 . ILE A 1 27  ? 31.29800 4.04300  -10.56200 1.000 93.52580  ? 346 ILE A HD11 1 
ATOM   356  H  HD12 . ILE A 1 27  ? 31.59200 3.45700  -9.12000  1.000 93.52580  ? 346 ILE A HD12 1 
ATOM   357  H  HD13 . ILE A 1 27  ? 31.36800 2.47600  -10.34400 1.000 93.52580  ? 346 ILE A HD13 1 
ATOM   358  N  N    . ALA A 1 28  ? 28.60400 1.43200  -5.77400  1.000 56.81634  ? 347 ALA A N    1 
ATOM   359  C  CA   . ALA A 1 28  ? 28.55500 0.42500  -4.73000  1.000 55.89555  ? 347 ALA A CA   1 
ATOM   360  C  C    . ALA A 1 28  ? 29.21100 0.97100  -3.46400  1.000 55.47210  ? 347 ALA A C    1 
ATOM   361  O  O    . ALA A 1 28  ? 30.17900 1.72600  -3.55200  1.000 54.22159  ? 347 ALA A O    1 
ATOM   362  C  CB   . ALA A 1 28  ? 29.25200 -0.84600 -5.18200  1.000 57.28031  ? 347 ALA A CB   1 
ATOM   363  H  H    . ALA A 1 28  ? 29.25300 1.98700  -5.67000  1.000 68.36745  ? 347 ALA A H    1 
ATOM   364  H  HA   . ALA A 1 28  ? 27.62800 0.21000  -4.54100  1.000 67.26250  ? 347 ALA A HA   1 
ATOM   365  H  HB1  . ALA A 1 28  ? 29.21000 -1.50800 -4.47400  1.000 68.92422  ? 347 ALA A HB1  1 
ATOM   366  H  HB2  . ALA A 1 28  ? 28.81200 -1.19300 -5.97400  1.000 68.92422  ? 347 ALA A HB2  1 
ATOM   367  H  HB3  . ALA A 1 28  ? 30.18000 -0.65100 -5.38700  1.000 68.92422  ? 347 ALA A HB3  1 
ATOM   368  N  N    . PRO A 1 29  ? 28.71600 0.61500  -2.25400  1.000 47.60164  ? 348 PRO A N    1 
ATOM   369  C  CA   . PRO A 1 29  ? 27.61100 -0.32600 -2.10200  1.000 47.62303  ? 348 PRO A CA   1 
ATOM   370  C  C    . PRO A 1 29  ? 26.25000 0.29600  -2.40000  1.000 48.81074  ? 348 PRO A C    1 
ATOM   371  O  O    . PRO A 1 29  ? 26.15400 1.50500  -2.60900  1.000 50.76128  ? 348 PRO A O    1 
ATOM   372  C  CB   . PRO A 1 29  ? 27.71700 -0.72000 -0.64000  1.000 54.70829  ? 348 PRO A CB   1 
ATOM   373  C  CG   . PRO A 1 29  ? 28.20900 0.54300  0.02600   1.000 41.55098  ? 348 PRO A CG   1 
ATOM   374  C  CD   . PRO A 1 29  ? 29.17800 1.15600  -0.96600  1.000 43.53394  ? 348 PRO A CD   1 
ATOM   375  H  HA   . PRO A 1 29  ? 27.67200 -1.06800 -2.72300  1.000 57.33547  ? 348 PRO A HA   1 
ATOM   376  H  HB2  . PRO A 1 29  ? 26.86100 -1.00300 -0.28300  1.000 65.83779  ? 348 PRO A HB2  1 
ATOM   377  H  HB3  . PRO A 1 29  ? 28.33500 -1.45600 -0.51200  1.000 65.83779  ? 348 PRO A HB3  1 
ATOM   378  H  HG2  . PRO A 1 29  ? 27.47500 1.14700  0.22000   1.000 50.04901  ? 348 PRO A HG2  1 
ATOM   379  H  HG3  . PRO A 1 29  ? 28.64600 0.34800  0.87000   1.000 50.04901  ? 348 PRO A HG3  1 
ATOM   380  H  HD2  . PRO A 1 29  ? 29.14400 2.12500  -0.95000  1.000 52.42856  ? 348 PRO A HD2  1 
ATOM   381  H  HD3  . PRO A 1 29  ? 30.09500 0.90200  -0.77700  1.000 52.42856  ? 348 PRO A HD3  1 
ATOM   382  N  N    . LYS A 1 30  ? 25.20500 -0.54000 -2.41900  1.000 55.94164  ? 349 LYS A N    1 
ATOM   383  C  CA   . LYS A 1 30  ? 23.84600 -0.06000 -2.62600  1.000 69.39036  ? 349 LYS A CA   1 
ATOM   384  C  C    . LYS A 1 30  ? 23.27100 0.52400  -1.33400  1.000 67.63169  ? 349 LYS A C    1 
ATOM   385  O  O    . LYS A 1 30  ? 22.58200 1.54400  -1.35800  1.000 52.22164  ? 349 LYS A O    1 
ATOM   386  C  CB   . LYS A 1 30  ? 22.93200 -1.18100 -3.17100  1.000 90.32164  ? 349 LYS A CB   1 
ATOM   387  C  CG   . LYS A 1 30  ? 22.88800 -2.45200 -2.31900  1.000 109.66511 ? 349 LYS A CG   1 
ATOM   388  C  CD   . LYS A 1 30  ? 21.60100 -3.24700 -2.48800  1.000 111.38937 ? 349 LYS A CD   1 
ATOM   389  C  CE   . LYS A 1 30  ? 21.45800 -4.31600 -1.43100  1.000 111.62645 ? 349 LYS A CE   1 
ATOM   390  N  NZ   . LYS A 1 30  ? 20.12900 -4.97100 -1.49500  1.000 105.25448 ? 349 LYS A NZ   1 
ATOM   391  H  H    . LYS A 1 30  ? 25.26900 -1.39100 -2.31300  1.000 67.31780  ? 349 LYS A H    1 
ATOM   392  H  HA   . LYS A 1 30  ? 23.88100 0.64600  -3.29100  1.000 83.45627  ? 349 LYS A HA   1 
ATOM   393  H  HB2  . LYS A 1 30  ? 22.03100 -0.83300 -3.25500  1.000 108.57380 ? 349 LYS A HB2  1 
ATOM   394  H  HB3  . LYS A 1 30  ? 23.22900 -1.41700 -4.06400  1.000 108.57380 ? 349 LYS A HB3  1 
ATOM   395  H  HG2  . LYS A 1 30  ? 23.64200 -3.01600 -2.55200  1.000 131.78597 ? 349 LYS A HG2  1 
ATOM   396  H  HG3  . LYS A 1 30  ? 22.99200 -2.21100 -1.38500  1.000 131.78597 ? 349 LYS A HG3  1 
ATOM   397  H  HD2  . LYS A 1 30  ? 20.84100 -2.64500 -2.44400  1.000 133.85508 ? 349 LYS A HD2  1 
ATOM   398  H  HD3  . LYS A 1 30  ? 21.58800 -3.65700 -3.36700  1.000 133.85508 ? 349 LYS A HD3  1 
ATOM   399  H  HE2  . LYS A 1 30  ? 22.15400 -4.98200 -1.54700  1.000 134.13958 ? 349 LYS A HE2  1 
ATOM   400  H  HE3  . LYS A 1 30  ? 21.58400 -3.92300 -0.55300  1.000 134.13958 ? 349 LYS A HE3  1 
ATOM   401  H  HZ1  . LYS A 1 30  ? 19.82100 -5.10000 -0.67000  1.000 126.49321 ? 349 LYS A HZ1  1 
ATOM   402  H  HZ2  . LYS A 1 30  ? 19.56300 -4.45100 -1.94400  1.000 126.49321 ? 349 LYS A HZ2  1 
ATOM   403  H  HZ3  . LYS A 1 30  ? 20.20400 -5.75500 -1.90900  1.000 126.49321 ? 349 LYS A HZ3  1 
ATOM   404  N  N    . GLU A 1 31  ? 23.57200 -0.13900 -0.21100  1.000 67.62009  ? 350 GLU A N    1 
ATOM   405  C  CA   . GLU A 1 31  ? 23.07200 0.23100  1.10100   1.000 59.69261  ? 350 GLU A CA   1 
ATOM   406  C  C    . GLU A 1 31  ? 24.26300 0.23400  2.04300   1.000 50.10015  ? 350 GLU A C    1 
ATOM   407  O  O    . GLU A 1 31  ? 25.28800 -0.37200 1.74300   1.000 57.56624  ? 350 GLU A O    1 
ATOM   408  C  CB   . GLU A 1 31  ? 22.03300 -0.77500 1.61900   1.000 60.93455  ? 350 GLU A CB   1 
ATOM   409  C  CG   . GLU A 1 31  ? 20.76400 -0.86300 0.78800   1.000 95.03164  ? 350 GLU A CG   1 
ATOM   410  C  CD   . GLU A 1 31  ? 19.73600 -1.87900 1.25700   1.000 109.65699 ? 350 GLU A CD   1 
ATOM   411  O  OE1  . GLU A 1 31  ? 20.07100 -2.71100 2.13000   1.000 125.73745 ? 350 GLU A OE1  1 
ATOM   412  O  OE2  . GLU A 1 31  ? 18.58800 -1.83600 0.75900   1.000 109.75972 ? 350 GLU A OE2  1 
ATOM   413  H  H    . GLU A 1 31  ? 24.08400 -0.83000 -0.20000  1.000 81.33195  ? 350 GLU A H    1 
ATOM   414  H  HA   . GLU A 1 31  ? 22.64000 1.09800  1.04900   1.000 71.81897  ? 350 GLU A HA   1 
ATOM   415  H  HB2  . GLU A 1 31  ? 22.44200 -1.65400 1.65600   1.000 73.30930  ? 350 GLU A HB2  1 
ATOM   416  H  HB3  . GLU A 1 31  ? 21.79400 -0.53500 2.52800   1.000 73.30930  ? 350 GLU A HB3  1 
ATOM   417  H  HG2  . GLU A 1 31  ? 20.34600 0.01200  0.77300   1.000 114.22580 ? 350 GLU A HG2  1 
ATOM   418  H  HG3  . GLU A 1 31  ? 21.01000 -1.07500 -0.12600  1.000 114.22580 ? 350 GLU A HG3  1 
ATOM   419  N  N    . TYR A 1 32  ? 24.11900 0.91000  3.18300   1.000 55.14204  ? 351 TYR A N    1 
ATOM   420  C  CA   . TYR A 1 32  ? 25.09200 0.77500  4.25100   1.000 44.18858  ? 351 TYR A CA   1 
ATOM   421  C  C    . TYR A 1 32  ? 24.44800 1.10300  5.58100   1.000 46.58776  ? 351 TYR A C    1 
ATOM   422  O  O    . TYR A 1 32  ? 23.32400 1.59400  5.63600   1.000 46.06468  ? 351 TYR A O    1 
ATOM   423  C  CB   . TYR A 1 32  ? 26.33000 1.65100  3.99400   1.000 38.78859  ? 351 TYR A CB   1 
ATOM   424  C  CG   . TYR A 1 32  ? 26.21400 3.08100  4.45800   1.000 44.34178  ? 351 TYR A CG   1 
ATOM   425  C  CD1  . TYR A 1 32  ? 25.33800 3.96300  3.84700   1.000 51.88668  ? 351 TYR A CD1  1 
ATOM   426  C  CD2  . TYR A 1 32  ? 26.99400 3.55800  5.50000   1.000 39.70294  ? 351 TYR A CD2  1 
ATOM   427  C  CE1  . TYR A 1 32  ? 25.23400 5.28400  4.26500   1.000 41.60052  ? 351 TYR A CE1  1 
ATOM   428  C  CE2  . TYR A 1 32  ? 26.90500 4.87700  5.92400   1.000 39.68659  ? 351 TYR A CE2  1 
ATOM   429  C  CZ   . TYR A 1 32  ? 26.02100 5.73900  5.30500   1.000 50.43497  ? 351 TYR A CZ   1 
ATOM   430  O  OH   . TYR A 1 32  ? 25.92200 7.04700  5.72400   1.000 41.37014  ? 351 TYR A OH   1 
ATOM   431  H  H    . TYR A 1 32  ? 23.46800 1.44600  3.35200   1.000 66.35829  ? 351 TYR A H    1 
ATOM   432  H  HA   . TYR A 1 32  ? 25.39700 -0.14600 4.27700   1.000 53.21414  ? 351 TYR A HA   1 
ATOM   433  H  HB2  . TYR A 1 32  ? 27.09300 1.24400  4.43400   1.000 46.73414  ? 351 TYR A HB2  1 
ATOM   434  H  HB3  . TYR A 1 32  ? 26.51700 1.64900  3.04200   1.000 46.73414  ? 351 TYR A HB3  1 
ATOM   435  H  HD1  . TYR A 1 32  ? 24.80900 3.66500  3.14300   1.000 62.45186  ? 351 TYR A HD1  1 
ATOM   436  H  HD2  . TYR A 1 32  ? 27.58900 2.98300  5.92400   1.000 47.83137  ? 351 TYR A HD2  1 
ATOM   437  H  HE1  . TYR A 1 32  ? 24.63600 5.86000  3.84600   1.000 50.10846  ? 351 TYR A HE1  1 
ATOM   438  H  HE2  . TYR A 1 32  ? 27.43900 5.17900  6.62300   1.000 47.81174  ? 351 TYR A HE2  1 
ATOM   439  H  HH   . TYR A 1 32  ? 26.66600 7.30500  6.01500   1.000 49.83201  ? 351 TYR A HH   1 
ATOM   440  N  N    . GLU A 1 33  ? 25.17800 0.77600  6.64800   1.000 56.31330  ? 352 GLU A N    1 
ATOM   441  C  CA   . GLU A 1 33  ? 24.67800 1.00000  8.02300   1.000 45.41284  ? 352 GLU A CA   1 
ATOM   442  C  C    . GLU A 1 33  ? 25.21100 2.32600  8.55100   1.000 44.21468  ? 352 GLU A C    1 
ATOM   443  O  O    . GLU A 1 33  ? 26.36600 2.37400  8.96700   1.000 45.07164  ? 352 GLU A O    1 
ATOM   444  C  CB   . GLU A 1 33  ? 25.07100 -0.17800 8.90500   1.000 42.65164  ? 352 GLU A CB   1 
ATOM   445  C  CG   . GLU A 1 33  ? 24.67300 -0.02300 10.35100  1.000 65.85621  ? 352 GLU A CG   1 
ATOM   446  C  CD   . GLU A 1 33  ? 23.18900 0.03300  10.64300  1.000 76.29164  ? 352 GLU A CD   1 
ATOM   447  O  OE1  . GLU A 1 33  ? 22.50500 -0.97600 10.41700  1.000 74.05164  ? 352 GLU A OE1  1 
ATOM   448  O  OE2  . GLU A 1 33  ? 22.73300 1.08300  11.11400  1.000 98.33164  ? 352 GLU A OE2  1 
ATOM   449  H  H    . GLU A 1 33  ? 25.96200 0.42500  6.60600   1.000 67.76380  ? 352 GLU A H    1 
ATOM   450  H  HA   . GLU A 1 33  ? 23.71000 1.05600  8.02600   1.000 54.68325  ? 352 GLU A HA   1 
ATOM   451  H  HB2  . GLU A 1 33  ? 24.66300 -0.98400 8.55200   1.000 51.36980  ? 352 GLU A HB2  1 
ATOM   452  H  HB3  . GLU A 1 33  ? 26.03200 -0.30100 8.85500   1.000 51.36980  ? 352 GLU A HB3  1 
ATOM   453  H  HG2  . GLU A 1 33  ? 25.05300 -0.76200 10.85100  1.000 79.21529  ? 352 GLU A HG2  1 
ATOM   454  H  HG3  . GLU A 1 33  ? 25.08000 0.78900  10.69200  1.000 79.21529  ? 352 GLU A HG3  1 
ATOM   455  N  N    . ALA A 1 34  ? 24.39000 3.35900  8.48400   1.000 39.58224  ? 353 ALA A N    1 
ATOM   456  C  CA   . ALA A 1 34  ? 24.72000 4.68800  8.98200   1.000 37.63420  ? 353 ALA A CA   1 
ATOM   457  C  C    . ALA A 1 34  ? 24.63600 4.76600  10.50600  1.000 39.48664  ? 353 ALA A C    1 
ATOM   458  O  O    . ALA A 1 34  ? 25.41100 5.48000  11.14000  1.000 31.32585  ? 353 ALA A O    1 
ATOM   459  C  CB   . ALA A 1 34  ? 23.77100 5.69100  8.35800   1.000 38.29364  ? 353 ALA A CB   1 
ATOM   460  H  H    . ALA A 1 34  ? 23.60400 3.30900  8.13900   1.000 47.68653  ? 353 ALA A H    1 
ATOM   461  H  HA   . ALA A 1 34  ? 25.63700 4.88900  8.73600   1.000 45.34887  ? 353 ALA A HA   1 
ATOM   462  H  HB1  . ALA A 1 34  ? 23.98100 6.58100  8.68200   1.000 46.14021  ? 353 ALA A HB1  1 
ATOM   463  H  HB2  . ALA A 1 34  ? 23.86500 5.66900  7.39300   1.000 46.14021  ? 353 ALA A HB2  1 
ATOM   464  H  HB3  . ALA A 1 34  ? 22.85900 5.46700  8.59900   1.000 46.14021  ? 353 ALA A HB3  1 
ATOM   465  N  N    . TYR A 1 35  ? 23.68300 4.02200  11.08000  1.000 35.96164  ? 354 TYR A N    1 
ATOM   466  C  CA   . TYR A 1 35  ? 23.26600 4.20600  12.45900  1.000 44.01755  ? 354 TYR A CA   1 
ATOM   467  C  C    . TYR A 1 35  ? 22.62100 5.57900  12.61400  1.000 39.72786  ? 354 TYR A C    1 
ATOM   468  O  O    . TYR A 1 35  ? 22.65400 6.40000  11.70100  1.000 30.92931  ? 354 TYR A O    1 
ATOM   469  C  CB   . TYR A 1 35  ? 24.43000 4.03500  13.45700  1.000 40.58311  ? 354 TYR A CB   1 
ATOM   470  C  CG   . TYR A 1 35  ? 25.05800 2.66000  13.39900  1.000 46.17414  ? 354 TYR A CG   1 
ATOM   471  C  CD1  . TYR A 1 35  ? 24.41000 1.55400  13.93400  1.000 43.94826  ? 354 TYR A CD1  1 
ATOM   472  C  CD2  . TYR A 1 35  ? 26.28300 2.45900  12.77900  1.000 46.33515  ? 354 TYR A CD2  1 
ATOM   473  C  CE1  . TYR A 1 35  ? 24.97600 0.28800  13.87200  1.000 41.73361  ? 354 TYR A CE1  1 
ATOM   474  C  CE2  . TYR A 1 35  ? 26.85600 1.19600  12.70600  1.000 46.41902  ? 354 TYR A CE2  1 
ATOM   475  C  CZ   . TYR A 1 35  ? 26.19900 0.11100  13.25300  1.000 45.95552  ? 354 TYR A CZ   1 
ATOM   476  O  OH   . TYR A 1 35  ? 26.76700 -1.13900 13.18600  1.000 59.85936  ? 354 TYR A OH   1 
ATOM   477  H  H    . TYR A 1 35  ? 23.26200 3.39400  10.67000  1.000 43.34180  ? 354 TYR A H    1 
ATOM   478  H  HA   . TYR A 1 35  ? 22.62000 3.51400  12.66900  1.000 53.00889  ? 354 TYR A HA   1 
ATOM   479  H  HB2  . TYR A 1 35  ? 25.10800 4.70300  13.27300  1.000 48.88757  ? 354 TYR A HB2  1 
ATOM   480  H  HB3  . TYR A 1 35  ? 24.10600 4.20000  14.35600  1.000 48.88757  ? 354 TYR A HB3  1 
ATOM   481  H  HD1  . TYR A 1 35  ? 23.58100 1.66400  14.34100  1.000 52.92575  ? 354 TYR A HD1  1 
ATOM   482  H  HD2  . TYR A 1 35  ? 26.72900 3.18400  12.40500  1.000 55.79002  ? 354 TYR A HD2  1 
ATOM   483  H  HE1  . TYR A 1 35  ? 24.53300 -0.43900 14.24600  1.000 50.26817  ? 354 TYR A HE1  1 
ATOM   484  H  HE2  . TYR A 1 35  ? 27.68000 1.08100  12.29000  1.000 55.89066  ? 354 TYR A HE2  1 
ATOM   485  H  HH   . TYR A 1 35  ? 27.49600 -1.09400 12.77200  1.000 72.01907  ? 354 TYR A HH   1 
ATOM   486  N  N    . GLU A 1 36  ? 21.99700 5.78800  13.77300  1.000 40.14488  ? 355 GLU A N    1 
ATOM   487  C  CA   . GLU A 1 36  ? 21.46900 7.08500  14.15700  1.000 44.85495  ? 355 GLU A CA   1 
ATOM   488  C  C    . GLU A 1 36  ? 21.48300 7.17300  15.67600  1.000 34.96286  ? 355 GLU A C    1 
ATOM   489  O  O    . GLU A 1 36  ? 21.66900 6.16500  16.34900  1.000 38.49265  ? 355 GLU A O    1 
ATOM   490  C  CB   . GLU A 1 36  ? 20.04700 7.29300  13.63900  1.000 48.28364  ? 355 GLU A CB   1 
ATOM   491  C  CG   . GLU A 1 36  ? 19.04500 6.31000  14.20100  1.000 45.29092  ? 355 GLU A CG   1 
ATOM   492  C  CD   . GLU A 1 36  ? 17.63000 6.57500  13.74300  1.000 70.58219  ? 355 GLU A CD   1 
ATOM   493  O  OE1  . GLU A 1 36  ? 17.39300 7.64400  13.13500  1.000 79.31164  ? 355 GLU A OE1  1 
ATOM   494  O  OE2  . GLU A 1 36  ? 16.75800 5.70700  13.97900  1.000 84.57164  ? 355 GLU A OE2  1 
ATOM   495  H  H    . GLU A 1 36  ? 21.87000 5.17200  14.36000  1.000 48.36170  ? 355 GLU A H    1 
ATOM   496  H  HA   . GLU A 1 36  ? 22.02300 7.77900  13.76500  1.000 54.01378  ? 355 GLU A HA   1 
ATOM   497  H  HB2  . GLU A 1 36  ? 19.76100 8.19400  13.85600  1.000 58.12821  ? 355 GLU A HB2  1 
ATOM   498  H  HB3  . GLU A 1 36  ? 20.05000 7.22200  12.67200  1.000 58.12821  ? 355 GLU A HB3  1 
ATOM   499  H  HG2  . GLU A 1 36  ? 19.30000 5.41200  13.93900  1.000 54.53694  ? 355 GLU A HG2  1 
ATOM   500  H  HG3  . GLU A 1 36  ? 19.07700 6.34300  15.17000  1.000 54.53694  ? 355 GLU A HG3  1 
ATOM   501  N  N    . CYS A 1 37  ? 21.25700 8.38300  16.19300  1.000 49.09023  ? 356 CYS A N    1 
ATOM   502  C  CA   . CYS A 1 37  ? 21.28100 8.62900  17.62300  1.000 49.53797  ? 356 CYS A CA   1 
ATOM   503  C  C    . CYS A 1 37  ? 19.88200 8.96200  18.13100  1.000 49.86722  ? 356 CYS A C    1 
ATOM   504  O  O    . CYS A 1 37  ? 19.45000 10.10400 18.03700  1.000 66.59014  ? 356 CYS A O    1 
ATOM   505  C  CB   . CYS A 1 37  ? 22.27900 9.73600  17.94700  1.000 51.07164  ? 356 CYS A CB   1 
ATOM   506  S  SG   . CYS A 1 37  ? 24.01200 9.27800  17.65500  1.000 56.11525  ? 356 CYS A SG   1 
ATOM   507  H  H    . CYS A 1 37  ? 21.08600 9.08000  15.71900  1.000 59.09611  ? 356 CYS A H    1 
ATOM   508  H  HA   . CYS A 1 37  ? 21.57100 7.82400  18.08000  1.000 59.63341  ? 356 CYS A HA   1 
ATOM   509  H  HB2  . CYS A 1 37  ? 22.06600 10.51700 17.41300  1.000 61.47380  ? 356 CYS A HB2  1 
ATOM   510  H  HB3  . CYS A 1 37  ? 22.17400 9.99100  18.87700  1.000 61.47380  ? 356 CYS A HB3  1 
ATOM   511  N  N    . ARG A 1 38  ? 19.18100 7.95300  18.66100  1.000 53.02788  ? 357 ARG A N    1 
ATOM   512  C  CA   . ARG A 1 38  ? 17.87700 8.15900  19.27200  1.000 56.22071  ? 357 ARG A CA   1 
ATOM   513  C  C    . ARG A 1 38  ? 18.00600 8.21600  20.79300  1.000 54.47742  ? 357 ARG A C    1 
ATOM   514  O  O    . ARG A 1 38  ? 18.95700 7.68400  21.35900  1.000 55.30164  ? 357 ARG A O    1 
ATOM   515  C  CB   . ARG A 1 38  ? 16.89300 7.04300  18.87200  1.000 70.58177  ? 357 ARG A CB   1 
ATOM   516  C  CG   . ARG A 1 38  ? 16.62600 6.94300  17.37200  1.000 79.17164  ? 357 ARG A CG   1 
ATOM   517  C  CD   . ARG A 1 38  ? 15.40200 6.08300  17.05000  1.000 85.55379  ? 357 ARG A CD   1 
ATOM   518  N  NE   . ARG A 1 38  ? 14.15400 6.84200  17.04800  1.000 95.95783  ? 357 ARG A NE   1 
ATOM   519  C  CZ   . ARG A 1 38  ? 13.80900 7.73300  16.12400  1.000 94.59643  ? 357 ARG A CZ   1 
ATOM   520  N  NH1  . ARG A 1 38  ? 14.65600 8.12000  15.18300  1.000 101.40164 ? 357 ARG A NH1  1 
ATOM   521  N  NH2  . ARG A 1 38  ? 12.58300 8.24900  16.14400  1.000 97.36153  ? 357 ARG A NH2  1 
ATOM   522  H  H    . ARG A 1 38  ? 19.45200 7.13700  18.67300  1.000 63.82129  ? 357 ARG A H    1 
ATOM   523  H  HA   . ARG A 1 38  ? 17.52800 9.00500  18.94900  1.000 67.65269  ? 357 ARG A HA   1 
ATOM   524  H  HB2  . ARG A 1 38  ? 17.24100 6.19300  19.18500  1.000 84.88597  ? 357 ARG A HB2  1 
ATOM   525  H  HB3  . ARG A 1 38  ? 16.05100 7.19000  19.33000  1.000 84.88597  ? 357 ARG A HB3  1 
ATOM   526  H  HG2  . ARG A 1 38  ? 16.49600 7.83300  17.01000  1.000 95.19380  ? 357 ARG A HG2  1 
ATOM   527  H  HG3  . ARG A 1 38  ? 17.40500 6.56900  16.93200  1.000 95.19380  ? 357 ARG A HG3  1 
ATOM   528  H  HD2  . ARG A 1 38  ? 15.52400 5.66900  16.18100  1.000 102.85239 ? 357 ARG A HD2  1 
ATOM   529  H  HD3  . ARG A 1 38  ? 15.33700 5.36600  17.70000  1.000 102.85239 ? 357 ARG A HD3  1 
ATOM   530  H  HE   . ARG A 1 38  ? 13.60200 6.70200  17.69200  1.000 115.33723 ? 357 ARG A HE   1 
ATOM   531  H  HH11 . ARG A 1 38  ? 15.45100 7.79300  15.16000  1.000 121.86980 ? 357 ARG A HH11 1 
ATOM   532  H  HH12 . ARG A 1 38  ? 14.41100 8.69800  14.59500  1.000 121.86980 ? 357 ARG A HH12 1 
ATOM   533  H  HH21 . ARG A 1 38  ? 12.02400 8.00500  16.75000  1.000 117.02168 ? 357 ARG A HH21 1 
ATOM   534  H  HH22 . ARG A 1 38  ? 12.35000 8.82600  15.55100  1.000 117.02168 ? 357 ARG A HH22 1 
ATOM   535  N  N    . GLY A 1 39  ? 17.04100 8.87500  21.44300  1.000 48.66703  ? 358 GLY A N    1 
ATOM   536  C  CA   . GLY A 1 39  ? 16.94800 8.86900  22.89300  1.000 61.37701  ? 358 GLY A CA   1 
ATOM   537  C  C    . GLY A 1 39  ? 16.87800 10.26200 23.50900  1.000 71.97497  ? 358 GLY A C    1 
ATOM   538  O  O    . GLY A 1 39  ? 17.49200 11.20500 23.01300  1.000 81.29291  ? 358 GLY A O    1 
ATOM   539  H  H    . GLY A 1 39  ? 16.42800 9.33400  21.05200  1.000 58.58827  ? 358 GLY A H    1 
ATOM   540  H  HA2  . GLY A 1 39  ? 16.16000 8.36800  23.15600  1.000 73.84025  ? 358 GLY A HA2  1 
ATOM   541  H  HA3  . GLY A 1 39  ? 17.71600 8.40200  23.25600  1.000 73.84025  ? 358 GLY A HA3  1 
ATOM   542  N  N    . GLY A 1 40  ? 16.15100 10.32000 24.61400  1.000 82.43474  ? 359 GLY A N    1 
ATOM   543  C  CA   . GLY A 1 40  ? 15.97200 11.62300 25.24900  1.000 75.03532  ? 359 GLY A CA   1 
ATOM   544  C  C    . GLY A 1 40  ? 17.21700 12.11500 25.94500  1.000 60.84164  ? 359 GLY A C    1 
ATOM   545  O  O    . GLY A 1 40  ? 18.05200 11.29200 26.37400  1.000 56.85164  ? 359 GLY A O    1 
ATOM   546  H  H    . GLY A 1 40  ? 15.76800 9.65400  25.00000  1.000 99.10952  ? 359 GLY A H    1 
ATOM   547  H  HA2  . GLY A 1 40  ? 15.70500 12.27100 24.57800  1.000 90.23022  ? 359 GLY A HA2  1 
ATOM   548  H  HA3  . GLY A 1 40  ? 15.24800 11.56700 25.89200  1.000 90.23022  ? 359 GLY A HA3  1 
ATOM   549  N  N    . CYS A 1 41  ? 17.29400 13.43100 26.05800  1.000 64.13859  ? 360 CYS A N    1 
ATOM   550  C  CA   . CYS A 1 41  ? 18.35600 14.00600 26.90200  1.000 70.17555  ? 360 CYS A CA   1 
ATOM   551  C  C    . CYS A 1 41  ? 17.51600 14.57700 28.04100  1.000 53.36445  ? 360 CYS A C    1 
ATOM   552  O  O    . CYS A 1 41  ? 16.95000 15.67600 27.87500  1.000 59.68164  ? 360 CYS A O    1 
ATOM   553  C  CB   . CYS A 1 41  ? 19.18900 15.03500 26.15000  1.000 72.54089  ? 360 CYS A CB   1 
ATOM   554  S  SG   . CYS A 1 41  ? 20.31500 14.26900 24.95300  1.000 77.15164  ? 360 CYS A SG   1 
ATOM   555  H  H    . CYS A 1 41  ? 16.77100 13.99700 25.67600  1.000 77.15415  ? 360 CYS A H    1 
ATOM   556  H  HA   . CYS A 1 41  ? 19.03800 13.38500 27.20400  1.000 84.39850  ? 360 CYS A HA   1 
ATOM   557  H  HB2  . CYS A 1 41  ? 18.59900 15.65000 25.68700  1.000 87.23690  ? 360 CYS A HB2  1 
ATOM   558  H  HB3  . CYS A 1 41  ? 19.70300 15.55800 26.78500  1.000 87.23690  ? 360 CYS A HB3  1 
ATOM   559  N  N    . PHE A 1 42  ? 17.45700 13.84300 29.15100  1.000 55.74934  ? 361 PHE A N    1 
ATOM   560  C  CA   . PHE A 1 42  ? 16.70300 14.32400 30.33700  1.000 54.28831  ? 361 PHE A CA   1 
ATOM   561  C  C    . PHE A 1 42  ? 17.34000 13.73000 31.58900  1.000 47.91164  ? 361 PHE A C    1 
ATOM   562  O  O    . PHE A 1 42  ? 18.13300 12.77500 31.49100  1.000 53.32064  ? 361 PHE A O    1 
ATOM   563  C  CB   . PHE A 1 42  ? 15.19100 14.05000 30.27000  1.000 59.89151  ? 361 PHE A CB   1 
ATOM   564  C  CG   . PHE A 1 42  ? 14.74400 12.61800 30.11100  1.000 69.08675  ? 361 PHE A CG   1 
ATOM   565  C  CD1  . PHE A 1 42  ? 14.73300 12.04800 28.85400  1.000 67.71019  ? 361 PHE A CD1  1 
ATOM   566  C  CD2  . PHE A 1 42  ? 14.25700 11.86600 31.17700  1.000 73.58850  ? 361 PHE A CD2  1 
ATOM   567  C  CE1  . PHE A 1 42  ? 14.33000 10.73400 28.66900  1.000 74.41310  ? 361 PHE A CE1  1 
ATOM   568  C  CE2  . PHE A 1 42  ? 13.85200 10.55300 30.99000  1.000 80.38865  ? 361 PHE A CE2  1 
ATOM   569  C  CZ   . PHE A 1 42  ? 13.88800 9.98700  29.73600  1.000 81.38060  ? 361 PHE A CZ   1 
ATOM   570  H  H    . PHE A 1 42  ? 17.83500 13.07700 29.24900  1.000 67.08704  ? 361 PHE A H    1 
ATOM   571  H  HA   . PHE A 1 42  ? 16.76600 15.29200 30.36000  1.000 65.33381  ? 361 PHE A HA   1 
ATOM   572  H  HB2  . PHE A 1 42  ? 14.78800 14.40000 31.08000  1.000 72.05765  ? 361 PHE A HB2  1 
ATOM   573  H  HB3  . PHE A 1 42  ? 14.82800 14.56000 29.52900  1.000 72.05765  ? 361 PHE A HB3  1 
ATOM   574  H  HD1  . PHE A 1 42  ? 15.00000 12.55300 28.12000  1.000 81.44006  ? 361 PHE A HD1  1 
ATOM   575  H  HD2  . PHE A 1 42  ? 14.20300 12.24800 32.02300  1.000 88.49404  ? 361 PHE A HD2  1 
ATOM   576  H  HE1  . PHE A 1 42  ? 14.35900 10.35600 27.82000  1.000 89.48356  ? 361 PHE A HE1  1 
ATOM   577  H  HE2  . PHE A 1 42  ? 13.55500 10.05300 31.71500  1.000 96.65421  ? 361 PHE A HE2  1 
ATOM   578  H  HZ   . PHE A 1 42  ? 13.61600 9.10700  29.61100  1.000 97.84456  ? 361 PHE A HZ   1 
ATOM   579  N  N    . PHE A 1 43  ? 16.94000 14.23700 32.74600  1.000 46.78127  ? 362 PHE A N    1 
ATOM   580  C  CA   . PHE A 1 43  ? 17.49400 13.75000 34.02700  1.000 46.74471  ? 362 PHE A CA   1 
ATOM   581  C  C    . PHE A 1 43  ? 16.49000 12.78900 34.66500  1.000 46.77660  ? 362 PHE A C    1 
ATOM   582  O  O    . PHE A 1 43  ? 15.29200 13.05100 34.58200  1.000 45.17164  ? 362 PHE A O    1 
ATOM   583  C  CB   . PHE A 1 43  ? 17.78900 14.93700 34.94400  1.000 51.93942  ? 362 PHE A CB   1 
ATOM   584  C  CG   . PHE A 1 43  ? 18.73000 15.98800 34.41800  1.000 44.08641  ? 362 PHE A CG   1 
ATOM   585  C  CD1  . PHE A 1 43  ? 20.09700 15.77900 34.41300  1.000 41.97786  ? 362 PHE A CD1  1 
ATOM   586  C  CD2  . PHE A 1 43  ? 18.25200 17.21000 33.98000  1.000 40.85164  ? 362 PHE A CD2  1 
ATOM   587  C  CE1  . PHE A 1 43  ? 20.96100 16.75800 33.95300  1.000 46.67002  ? 362 PHE A CE1  1 
ATOM   588  C  CE2  . PHE A 1 43  ? 19.11800 18.18500 33.51700  1.000 37.39765  ? 362 PHE A CE2  1 
ATOM   589  C  CZ   . PHE A 1 43  ? 20.47100 17.95800 33.50200  1.000 43.88709  ? 362 PHE A CZ   1 
ATOM   590  H  H    . PHE A 1 43  ? 16.35300 14.86000 32.82300  1.000 56.32536  ? 362 PHE A H    1 
ATOM   591  H  HA   . PHE A 1 43  ? 18.32700 13.27600 33.87800  1.000 56.28149  ? 362 PHE A HA   1 
ATOM   592  H  HB2  . PHE A 1 43  ? 16.94700 15.36700 35.16100  1.000 62.51515  ? 362 PHE A HB2  1 
ATOM   593  H  HB3  . PHE A 1 43  ? 18.15400 14.59300 35.77400  1.000 62.51515  ? 362 PHE A HB3  1 
ATOM   594  H  HD1  . PHE A 1 43  ? 20.44000 14.97200 34.72200  1.000 50.56127  ? 362 PHE A HD1  1 
ATOM   595  H  HD2  . PHE A 1 43  ? 17.33800 17.37800 33.99700  1.000 49.20980  ? 362 PHE A HD2  1 
ATOM   596  H  HE1  . PHE A 1 43  ? 21.87800 16.60200 33.95000  1.000 56.19186  ? 362 PHE A HE1  1 
ATOM   597  H  HE2  . PHE A 1 43  ? 18.78100 18.99800 33.21500  1.000 45.06502  ? 362 PHE A HE2  1 
ATOM   598  H  HZ   . PHE A 1 43  ? 21.05200 18.61300 33.18800  1.000 52.85235  ? 362 PHE A HZ   1 
ATOM   599  N  N    . PRO A 1 44  ? 16.92500 11.68100 35.29200  1.000 46.53164  ? 363 PRO A N    1 
ATOM   600  C  CA   . PRO A 1 44  ? 18.34000 11.44600 35.57200  1.000 47.98796  ? 363 PRO A CA   1 
ATOM   601  C  C    . PRO A 1 44  ? 19.15600 11.01400 34.34300  1.000 62.51161  ? 363 PRO A C    1 
ATOM   602  O  O    . PRO A 1 44  ? 18.70800 10.17500 33.59700  1.000 69.63164  ? 363 PRO A O    1 
ATOM   603  C  CB   . PRO A 1 44  ? 18.28600 10.33400 36.62100  1.000 46.66594  ? 363 PRO A CB   1 
ATOM   604  C  CG   . PRO A 1 44  ? 17.02500 9.57000  36.30600  1.000 63.99961  ? 363 PRO A CG   1 
ATOM   605  C  CD   . PRO A 1 44  ? 16.06100 10.60800 35.77800  1.000 59.41497  ? 363 PRO A CD   1 
ATOM   606  H  HA   . PRO A 1 44  ? 18.79100 12.25400 35.86300  1.000 57.77339  ? 363 PRO A HA   1 
ATOM   607  H  HB2  . PRO A 1 44  ? 19.06700 9.76100  36.56800  1.000 56.18697  ? 363 PRO A HB2  1 
ATOM   608  H  HB3  . PRO A 1 44  ? 18.26200 10.69800 37.52000  1.000 56.18697  ? 363 PRO A HB3  1 
ATOM   609  H  HG2  . PRO A 1 44  ? 17.19000 8.87600  35.64800  1.000 76.98736  ? 363 PRO A HG2  1 
ATOM   610  H  HG3  . PRO A 1 44  ? 16.67200 9.13300  37.09700  1.000 76.98736  ? 363 PRO A HG3  1 
ATOM   611  H  HD2  . PRO A 1 44  ? 15.50700 10.24900 35.06700  1.000 71.48581  ? 363 PRO A HD2  1 
ATOM   612  H  HD3  . PRO A 1 44  ? 15.46200 10.92200 36.47300  1.000 71.48581  ? 363 PRO A HD3  1 
ATOM   613  N  N    . LEU A 1 45  ? 20.34700 11.58300 34.17900  1.000 72.24164  ? 364 LEU A N    1 
ATOM   614  C  CA   . LEU A 1 45  ? 21.16900 11.30500 32.97200  1.000 77.34625  ? 364 LEU A CA   1 
ATOM   615  C  C    . LEU A 1 45  ? 21.87700 9.95500  33.08600  1.000 92.69606  ? 364 LEU A C    1 
ATOM   616  O  O    . LEU A 1 45  ? 21.91800 9.40100  34.19200  1.000 91.33624  ? 364 LEU A O    1 
ATOM   617  C  CB   . LEU A 1 45  ? 22.20100 12.42400 32.79800  1.000 71.92164  ? 364 LEU A CB   1 
ATOM   618  C  CG   . LEU A 1 45  ? 21.76100 13.61100 31.94500  1.000 66.38872  ? 364 LEU A CG   1 
ATOM   619  C  CD1  . LEU A 1 45  ? 22.89900 14.60300 31.79000  1.000 59.62651  ? 364 LEU A CD1  1 
ATOM   620  C  CD2  . LEU A 1 45  ? 21.27400 13.15400 30.58200  1.000 67.08451  ? 364 LEU A CD2  1 
ATOM   621  H  H    . LEU A 1 45  ? 20.70500 12.12800 34.74000  1.000 86.87780  ? 364 LEU A H    1 
ATOM   622  H  HA   . LEU A 1 45  ? 20.58500 11.27100 32.19800  1.000 93.00333  ? 364 LEU A HA   1 
ATOM   623  H  HB2  . LEU A 1 45  ? 22.44700 12.75300 33.67700  1.000 86.49380  ? 364 LEU A HB2  1 
ATOM   624  H  HB3  . LEU A 1 45  ? 23.00100 12.04400 32.40400  1.000 86.49380  ? 364 LEU A HB3  1 
ATOM   625  H  HG   . LEU A 1 45  ? 21.02300 14.04800 32.39900  1.000 79.85431  ? 364 LEU A HG   1 
ATOM   626  H  HD11 . LEU A 1 45  ? 22.60500 15.35100 31.24600  1.000 71.73965  ? 364 LEU A HD11 1 
ATOM   627  H  HD12 . LEU A 1 45  ? 23.16900 14.92600 32.66400  1.000 71.73965  ? 364 LEU A HD12 1 
ATOM   628  H  HD13 . LEU A 1 45  ? 23.65200 14.16800 31.36000  1.000 71.73965  ? 364 LEU A HD13 1 
ATOM   629  H  HD21 . LEU A 1 45  ? 21.00100 13.92500 30.06100  1.000 80.68925  ? 364 LEU A HD21 1 
ATOM   630  H  HD22 . LEU A 1 45  ? 21.99000 12.69000 30.12100  1.000 80.68925  ? 364 LEU A HD22 1 
ATOM   631  H  HD23 . LEU A 1 45  ? 20.51900 12.55500 30.69200  1.000 80.68925  ? 364 LEU A HD23 1 
ATOM   632  N  N    . ALA A 1 46  ? 22.44600 9.46600  31.98700  1.000 102.97595 ? 365 ALA A N    1 
ATOM   633  C  CA   . ALA A 1 46  ? 23.20700 8.22500  31.97500  1.000 109.97258 ? 365 ALA A CA   1 
ATOM   634  C  C    . ALA A 1 46  ? 24.70400 8.50600  32.10800  1.000 123.51296 ? 365 ALA A C    1 
ATOM   635  O  O    . ALA A 1 46  ? 25.16800 9.64000  31.96900  1.000 130.12751 ? 365 ALA A O    1 
ATOM   636  C  CB   . ALA A 1 46  ? 22.92200 7.43300  30.69600  1.000 105.87557 ? 365 ALA A CB   1 
ATOM   637  H  H    . ALA A 1 46  ? 22.39900 9.85200  31.22000  1.000 123.75898 ? 365 ALA A H    1 
ATOM   638  H  HA   . ALA A 1 46  ? 22.92900 7.69100  32.73600  1.000 132.15493 ? 365 ALA A HA   1 
ATOM   639  H  HB1  . ALA A 1 46  ? 23.43600 6.61000  30.70300  1.000 127.23852 ? 365 ALA A HB1  1 
ATOM   640  H  HB2  . ALA A 1 46  ? 21.97600 7.22300  30.64900  1.000 127.23852 ? 365 ALA A HB2  1 
ATOM   641  H  HB3  . ALA A 1 46  ? 23.17300 7.96400  29.92400  1.000 127.23852 ? 365 ALA A HB3  1 
ATOM   642  N  N    . ASP A 1 47  ? 25.46700 7.43800  32.37000  1.000 139.28164 ? 366 ASP A N    1 
ATOM   643  C  CA   . ASP A 1 47  ? 26.89100 7.59600  32.66100  1.000 140.33208 ? 366 ASP A CA   1 
ATOM   644  C  C    . ASP A 1 47  ? 27.69300 7.98700  31.42200  1.000 143.25274 ? 366 ASP A C    1 
ATOM   645  O  O    . ASP A 1 47  ? 28.72600 8.65500  31.54800  1.000 148.02444 ? 366 ASP A O    1 
ATOM   646  C  CB   . ASP A 1 47  ? 27.45100 6.30500  33.27500  1.000 142.83416 ? 366 ASP A CB   1 
ATOM   647  C  CG   . ASP A 1 47  ? 28.83100 6.49700  33.91700  1.000 151.01731 ? 366 ASP A CG   1 
ATOM   648  O  OD1  . ASP A 1 47  ? 28.88100 6.89200  35.09500  1.000 154.20174 ? 366 ASP A OD1  1 
ATOM   649  O  OD2  . ASP A 1 47  ? 29.83700 6.25400  33.22100  1.000 154.42460 ? 366 ASP A OD2  1 
ATOM   650  H  H    . ASP A 1 47  ? 25.18200 6.62700  32.38300  1.000 167.32580 ? 366 ASP A H    1 
ATOM   651  H  HA   . ASP A 1 47  ? 26.97900 8.32100  33.30000  1.000 168.58633 ? 366 ASP A HA   1 
ATOM   652  H  HB2  . ASP A 1 47  ? 26.83100 5.97600  33.94500  1.000 171.58883 ? 366 ASP A HB2  1 
ATOM   653  H  HB3  . ASP A 1 47  ? 27.51200 5.62500  32.58600  1.000 171.58883 ? 366 ASP A HB3  1 
ATOM   654  N  N    . ASP A 1 48  ? 27.24100 7.60300  30.22400  1.000 144.38930 ? 367 ASP A N    1 
ATOM   655  C  CA   . ASP A 1 48  ? 28.04600 7.76300  29.01600  1.000 141.70969 ? 367 ASP A CA   1 
ATOM   656  C  C    . ASP A 1 48  ? 27.38500 8.61500  27.93100  1.000 136.04793 ? 367 ASP A C    1 
ATOM   657  O  O    . ASP A 1 48  ? 27.65300 8.41000  26.74500  1.000 134.77082 ? 367 ASP A O    1 
ATOM   658  C  CB   . ASP A 1 48  ? 28.44100 6.40200  28.43400  1.000 149.07148 ? 367 ASP A CB   1 
ATOM   659  C  CG   . ASP A 1 48  ? 29.12800 5.49000  29.44100  1.000 161.05296 ? 367 ASP A CG   1 
ATOM   660  O  OD1  . ASP A 1 48  ? 29.97900 5.97000  30.21400  1.000 165.23297 ? 367 ASP A OD1  1 
ATOM   661  O  OD2  . ASP A 1 48  ? 28.77000 4.29600  29.45400  1.000 165.79065 ? 367 ASP A OD2  1 
ATOM   662  H  H    . ASP A 1 48  ? 26.46900 7.24700  30.09300  1.000 173.45500 ? 367 ASP A H    1 
ATOM   663  H  HA   . ASP A 1 48  ? 28.83800 8.24400  29.30200  1.000 170.23947 ? 367 ASP A HA   1 
ATOM   664  H  HB2  . ASP A 1 48  ? 27.64700 5.95900  28.09600  1.000 179.07362 ? 367 ASP A HB2  1 
ATOM   665  H  HB3  . ASP A 1 48  ? 29.03200 6.54100  27.67700  1.000 179.07362 ? 367 ASP A HB3  1 
ATOM   666  N  N    . VAL A 1 49  ? 26.53200 9.58200  28.28700  1.000 128.07727 ? 368 VAL A N    1 
ATOM   667  C  CA   . VAL A 1 49  ? 26.04700 10.49000 27.24700  1.000 120.61434 ? 368 VAL A CA   1 
ATOM   668  C  C    . VAL A 1 49  ? 27.14200 11.48400 26.88700  1.000 119.95164 ? 368 VAL A C    1 
ATOM   669  O  O    . VAL A 1 49  ? 27.04200 12.17900 25.86900  1.000 114.51164 ? 368 VAL A O    1 
ATOM   670  C  CB   . VAL A 1 49  ? 24.59200 10.97000 27.46600  1.000 110.60525 ? 368 VAL A CB   1 
ATOM   671  C  CG1  . VAL A 1 49  ? 23.62500 9.84400  27.24300  1.000 108.80193 ? 368 VAL A CG1  1 
ATOM   672  C  CG2  . VAL A 1 49  ? 24.36500 11.60900 28.83700  1.000 113.41875 ? 368 VAL A CG2  1 
ATOM   673  H  H    . VAL A 1 49  ? 26.23600 9.72400  29.08200  1.000 153.88056 ? 368 VAL A H    1 
ATOM   674  H  HA   . VAL A 1 49  ? 25.89600 10.02400 26.41000  1.000 144.92504 ? 368 VAL A HA   1 
ATOM   675  H  HB   . VAL A 1 49  ? 24.43200 11.66600 26.80900  1.000 132.91414 ? 368 VAL A HB   1 
ATOM   676  H  HG11 . VAL A 1 49  ? 22.72000 10.16200 27.38400  1.000 130.75016 ? 368 VAL A HG11 1 
ATOM   677  H  HG12 . VAL A 1 49  ? 23.71400 9.51600  26.33500  1.000 130.75016 ? 368 VAL A HG12 1 
ATOM   678  H  HG13 . VAL A 1 49  ? 23.81600 9.12500  27.86600  1.000 130.75016 ? 368 VAL A HG13 1 
ATOM   679  H  HG21 . VAL A 1 49  ? 23.43900 11.88800 28.91500  1.000 136.29034 ? 368 VAL A HG21 1 
ATOM   680  H  HG22 . VAL A 1 49  ? 24.56700 10.96400 29.53200  1.000 136.29034 ? 368 VAL A HG22 1 
ATOM   681  H  HG23 . VAL A 1 49  ? 24.94400 12.38100 28.93400  1.000 136.29034 ? 368 VAL A HG23 1 
ATOM   682  N  N    . THR A 1 50  ? 28.21900 11.50600 27.70200  1.000 110.92660 ? 369 THR A N    1 
ATOM   683  C  CA   . THR A 1 50  ? 29.28500 12.49600 27.86800  1.000 102.28164 ? 369 THR A CA   1 
ATOM   684  C  C    . THR A 1 50  ? 28.86400 13.95700 27.76100  1.000 74.80295  ? 369 THR A C    1 
ATOM   685  O  O    . THR A 1 50  ? 29.45100 14.72000 26.98300  1.000 73.07350  ? 369 THR A O    1 
ATOM   686  C  CB   . THR A 1 50  ? 30.45600 12.22200 26.91100  1.000 117.83515 ? 369 THR A CB   1 
ATOM   687  O  OG1  . THR A 1 50  ? 29.98100 12.25500 25.56300  1.000 123.55164 ? 369 THR A OG1  1 
ATOM   688  C  CG2  . THR A 1 50  ? 31.12400 10.86800 27.16200  1.000 125.64962 ? 369 THR A CG2  1 
ATOM   689  H  H    . THR A 1 50  ? 28.34800 10.84600 28.23800  1.000 133.29976 ? 369 THR A H    1 
ATOM   690  H  HA   . THR A 1 50  ? 29.56200 12.37700 28.79000  1.000 122.92580 ? 369 THR A HA   1 
ATOM   691  H  HB   . THR A 1 50  ? 31.12000 12.91200 27.06900  1.000 141.59002 ? 369 THR A HB   1 
ATOM   692  H  HG1  . THR A 1 50  ? 30.58200 11.97400 25.04700  1.000 148.44980 ? 369 THR A HG1  1 
ATOM   693  H  HG21 . THR A 1 50  ? 31.85300 10.74500 26.53400  1.000 150.96738 ? 369 THR A HG21 1 
ATOM   694  H  HG22 . THR A 1 50  ? 31.47000 10.84100 28.06800  1.000 150.96738 ? 369 THR A HG22 1 
ATOM   695  H  HG23 . THR A 1 50  ? 30.47300 10.15900 27.04300  1.000 150.96738 ? 369 THR A HG23 1 
ATOM   696  N  N    . PRO A 1 51  ? 27.85900 14.38300 28.52500  1.000 54.31652  ? 370 PRO A N    1 
ATOM   697  C  CA   . PRO A 1 51  ? 27.16900 15.64500 28.24000  1.000 48.03031  ? 370 PRO A CA   1 
ATOM   698  C  C    . PRO A 1 51  ? 28.04000 16.85400 28.53400  1.000 45.95534  ? 370 PRO A C    1 
ATOM   699  O  O    . PRO A 1 51  ? 28.81300 16.87800 29.49600  1.000 56.25501  ? 370 PRO A O    1 
ATOM   700  C  CB   . PRO A 1 51  ? 25.95600 15.59500 29.17700  1.000 47.72825  ? 370 PRO A CB   1 
ATOM   701  C  CG   . PRO A 1 51  ? 26.44400 14.81100 30.34300  1.000 46.79056  ? 370 PRO A CG   1 
ATOM   702  C  CD   . PRO A 1 51  ? 27.42400 13.79400 29.80300  1.000 61.62752  ? 370 PRO A CD   1 
ATOM   703  H  HA   . PRO A 1 51  ? 26.93200 15.73600 27.30400  1.000 57.82422  ? 370 PRO A HA   1 
ATOM   704  H  HB2  . PRO A 1 51  ? 25.67100 16.48400 29.43900  1.000 57.46174  ? 370 PRO A HB2  1 
ATOM   705  H  HB3  . PRO A 1 51  ? 25.19600 15.16700 28.75300  1.000 57.46174  ? 370 PRO A HB3  1 
ATOM   706  H  HG2  . PRO A 1 51  ? 26.87200 15.39000 30.99300  1.000 56.33651  ? 370 PRO A HG2  1 
ATOM   707  H  HG3  . PRO A 1 51  ? 25.70700 14.37200 30.79600  1.000 56.33651  ? 370 PRO A HG3  1 
ATOM   708  H  HD2  . PRO A 1 51  ? 28.17100 13.66100 30.40800  1.000 74.14086  ? 370 PRO A HD2  1 
ATOM   709  H  HD3  . PRO A 1 51  ? 27.00600 12.92800 29.67400  1.000 74.14086  ? 370 PRO A HD3  1 
ATOM   710  N  N    . THR A 1 52  ? 27.90700 17.86100 27.67600  1.000 39.01164  ? 371 THR A N    1 
ATOM   711  C  CA   . THR A 1 52  ? 28.55200 19.14800 27.85700  1.000 34.61164  ? 371 THR A CA   1 
ATOM   712  C  C    . THR A 1 52  ? 27.81400 19.94900 28.93100  1.000 38.52497  ? 371 THR A C    1 
ATOM   713  O  O    . THR A 1 52  ? 26.63300 19.71600 29.20400  1.000 38.66164  ? 371 THR A O    1 
ATOM   714  C  CB   . THR A 1 52  ? 28.58000 19.91000 26.52700  1.000 35.83018  ? 371 THR A CB   1 
ATOM   715  O  OG1  . THR A 1 52  ? 27.23900 20.22200 26.12300  1.000 54.74303  ? 371 THR A OG1  1 
ATOM   716  C  CG2  . THR A 1 52  ? 29.22600 19.05600 25.42800  1.000 43.22362  ? 371 THR A CG2  1 
ATOM   717  H  H    . THR A 1 52  ? 27.43100 17.81100 26.96200  1.000 47.00180  ? 371 THR A H    1 
ATOM   718  H  HA   . THR A 1 52  ? 29.46700 19.01300 28.14900  1.000 41.72180  ? 371 THR A HA   1 
ATOM   719  H  HB   . THR A 1 52  ? 29.09600 20.72100 26.65300  1.000 43.18405  ? 371 THR A HB   1 
ATOM   720  H  HG1  . THR A 1 52  ? 27.24400 20.51600 25.33600  1.000 65.87947  ? 371 THR A HG1  1 
ATOM   721  H  HG21 . THR A 1 52  ? 29.23500 19.55300 24.59500  1.000 52.05618  ? 371 THR A HG21 1 
ATOM   722  H  HG22 . THR A 1 52  ? 30.13600 18.83500 25.68200  1.000 52.05618  ? 371 THR A HG22 1 
ATOM   723  H  HG23 . THR A 1 52  ? 28.71600 18.23900 25.31100  1.000 52.05618  ? 371 THR A HG23 1 
ATOM   724  N  N    . LYS A 1 53  ? 28.53600 20.88700 29.54800  1.000 34.45564  ? 372 LYS A N    1 
ATOM   725  C  CA   . LYS A 1 53  ? 27.91000 21.72800 30.55900  1.000 28.49632  ? 372 LYS A CA   1 
ATOM   726  C  C    . LYS A 1 53  ? 26.79800 22.57900 29.95500  1.000 30.20901  ? 372 LYS A C    1 
ATOM   727  O  O    . LYS A 1 53  ? 25.77400 22.82900 30.60500  1.000 31.62422  ? 372 LYS A O    1 
ATOM   728  C  CB   . LYS A 1 53  ? 28.98100 22.57800 31.25300  1.000 42.15331  ? 372 LYS A CB   1 
ATOM   729  C  CG   . LYS A 1 53  ? 29.92300 21.72700 32.11700  1.000 50.73529  ? 372 LYS A CG   1 
ATOM   730  C  CD   . LYS A 1 53  ? 30.92100 22.55900 32.93000  1.000 64.41953  ? 372 LYS A CD   1 
ATOM   731  C  CE   . LYS A 1 53  ? 32.21100 21.81300 33.24400  1.000 74.25645  ? 372 LYS A CE   1 
ATOM   732  N  NZ   . LYS A 1 53  ? 32.86900 21.25100 32.01400  1.000 69.61743  ? 372 LYS A NZ   1 
ATOM   733  H  H    . LYS A 1 53  ? 29.36800 21.04700 29.39900  1.000 41.53460  ? 372 LYS A H    1 
ATOM   734  H  HA   . LYS A 1 53  ? 27.49100 21.16600 31.22900  1.000 34.38342  ? 372 LYS A HA   1 
ATOM   735  H  HB2  . LYS A 1 53  ? 29.49800 23.05300 30.58400  1.000 50.77181  ? 372 LYS A HB2  1 
ATOM   736  H  HB3  . LYS A 1 53  ? 28.55100 23.24800 31.80800  1.000 50.77181  ? 372 LYS A HB3  1 
ATOM   737  H  HG2  . LYS A 1 53  ? 29.39400 21.18500 32.72300  1.000 61.07018  ? 372 LYS A HG2  1 
ATOM   738  H  HG3  . LYS A 1 53  ? 30.41200 21.11600 31.54400  1.000 61.07018  ? 372 LYS A HG3  1 
ATOM   739  H  HD2  . LYS A 1 53  ? 31.13400 23.36800 32.43900  1.000 77.49128  ? 372 LYS A HD2  1 
ATOM   740  H  HD3  . LYS A 1 53  ? 30.50300 22.83300 33.76100  1.000 77.49128  ? 372 LYS A HD3  1 
ATOM   741  H  HE2  . LYS A 1 53  ? 32.82800 22.41400 33.69000  1.000 89.29558  ? 372 LYS A HE2  1 
ATOM   742  H  HE3  . LYS A 1 53  ? 32.02000 21.09100 33.86300  1.000 89.29558  ? 372 LYS A HE3  1 
ATOM   743  H  HZ1  . LYS A 1 53  ? 33.75300 21.26400 32.11800  1.000 83.72876  ? 372 LYS A HZ1  1 
ATOM   744  H  HZ2  . LYS A 1 53  ? 32.59800 20.41300 31.88900  1.000 83.72876  ? 372 LYS A HZ2  1 
ATOM   745  H  HZ3  . LYS A 1 53  ? 32.64700 21.74300 31.30700  1.000 83.72876  ? 372 LYS A HZ3  1 
ATOM   746  N  N    . HIS A 1 54  ? 26.95800 22.99900 28.70100  1.000 40.71159  ? 373 HIS A N    1 
ATOM   747  C  CA   . HIS A 1 54  ? 25.89200 23.75100 28.05100  1.000 36.88853  ? 373 HIS A CA   1 
ATOM   748  C  C    . HIS A 1 54  ? 24.63900 22.89800 27.84600  1.000 25.11164  ? 373 HIS A C    1 
ATOM   749  O  O    . HIS A 1 54  ? 23.51000 23.38700 28.00900  1.000 41.38164  ? 373 HIS A O    1 
ATOM   750  C  CB   . HIS A 1 54  ? 26.38000 24.30600 26.72300  1.000 35.78555  ? 373 HIS A CB   1 
ATOM   751  C  CG   . HIS A 1 54  ? 25.38300 25.19800 26.07900  1.000 30.80164  ? 373 HIS A CG   1 
ATOM   752  N  ND1  . HIS A 1 54  ? 24.41700 24.69500 25.24000  1.000 31.09164  ? 373 HIS A ND1  1 
ATOM   753  C  CD2  . HIS A 1 54  ? 25.22200 26.53300 26.18200  1.000 30.81388  ? 373 HIS A CD2  1 
ATOM   754  C  CE1  . HIS A 1 54  ? 23.68400 25.73400 24.86500  1.000 37.36520  ? 373 HIS A CE1  1 
ATOM   755  N  NE2  . HIS A 1 54  ? 24.13600 26.86200 25.41700  1.000 31.49519  ? 373 HIS A NE2  1 
ATOM   756  H  H    . HIS A 1 54  ? 27.65800 22.86300 28.22100  1.000 49.04175  ? 373 HIS A H    1 
ATOM   757  H  HA   . HIS A 1 54  ? 25.65000 24.48700 28.63500  1.000 44.45407  ? 373 HIS A HA   1 
ATOM   758  H  HB2  . HIS A 1 54  ? 27.20500 24.79600 26.86400  1.000 43.13049  ? 373 HIS A HB2  1 
ATOM   759  H  HB3  . HIS A 1 54  ? 26.58600 23.57100 26.12500  1.000 43.13049  ? 373 HIS A HB3  1 
ATOM   760  H  HD2  . HIS A 1 54  ? 25.74800 27.11800 26.67800  1.000 37.16450  ? 373 HIS A HD2  1 
ATOM   761  H  HE1  . HIS A 1 54  ? 22.95200 25.68400 24.29300  1.000 45.02607  ? 373 HIS A HE1  1 
ATOM   762  H  HE2  . HIS A 1 54  ? 23.80600 27.64900 25.31200  1.000 37.98207  ? 373 HIS A HE2  1 
ATOM   763  N  N    . ALA A 1 55  ? 24.81300 21.63200 27.45500  1.000 36.74376  ? 374 ALA A N    1 
ATOM   764  C  CA   . ALA A 1 55  ? 23.66000 20.74700 27.31500  1.000 38.07914  ? 374 ALA A CA   1 
ATOM   765  C  C    . ALA A 1 55  ? 22.92000 20.60400 28.63100  1.000 40.26164  ? 374 ALA A C    1 
ATOM   766  O  O    . ALA A 1 55  ? 21.68600 20.64600 28.67100  1.000 39.44017  ? 374 ALA A O    1 
ATOM   767  C  CB   . ALA A 1 55  ? 24.10400 19.37700 26.82400  1.000 31.30728  ? 374 ALA A CB   1 
ATOM   768  H  H    . ALA A 1 55  ? 25.57300 21.27500 27.27000  1.000 44.28035  ? 374 ALA A H    1 
ATOM   769  H  HA   . ALA A 1 55  ? 23.05800 21.14100 26.66500  1.000 45.88280  ? 374 ALA A HA   1 
ATOM   770  H  HB1  . ALA A 1 55  ? 23.33000 18.79900 26.73500  1.000 37.75657  ? 374 ALA A HB1  1 
ATOM   771  H  HB2  . ALA A 1 55  ? 24.54000 19.46800 25.96200  1.000 37.75657  ? 374 ALA A HB2  1 
ATOM   772  H  HB3  . ALA A 1 55  ? 24.72500 18.99000 27.46100  1.000 37.75657  ? 374 ALA A HB3  1 
ATOM   773  N  N    . ILE A 1 56  ? 23.66800 20.44800 29.72100  1.000 33.13216  ? 375 ILE A N    1 
ATOM   774  C  CA   . ILE A 1 56  ? 23.08100 20.28700 31.04600  1.000 35.20882  ? 375 ILE A CA   1 
ATOM   775  C  C    . ILE A 1 56  ? 22.31200 21.54600 31.44900  1.000 36.81164  ? 375 ILE A C    1 
ATOM   776  O  O    . ILE A 1 56  ? 21.16100 21.48000 31.89800  1.000 48.39164  ? 375 ILE A O    1 
ATOM   777  C  CB   . ILE A 1 56  ? 24.20300 19.92500 32.03600  1.000 30.26042  ? 375 ILE A CB   1 
ATOM   778  C  CG1  . ILE A 1 56  ? 24.71400 18.52400 31.71500  1.000 32.27466  ? 375 ILE A CG1  1 
ATOM   779  C  CG2  . ILE A 1 56  ? 23.79000 20.05500 33.46800  1.000 32.62113  ? 375 ILE A CG2  1 
ATOM   780  C  CD1  . ILE A 1 56  ? 25.89500 18.10800 32.52100  1.000 41.35981  ? 375 ILE A CD1  1 
ATOM   781  H  H    . ILE A 1 56  ? 24.52800 20.43300 29.71200  1.000 39.94644  ? 375 ILE A H    1 
ATOM   782  H  HA   . ILE A 1 56  ? 22.43200 19.56600 31.04800  1.000 42.43842  ? 375 ILE A HA   1 
ATOM   783  H  HB   . ILE A 1 56  ? 24.92300 20.56600 31.92500  1.000 36.50034  ? 375 ILE A HB   1 
ATOM   784  H  HG12 . ILE A 1 56  ? 23.99600 17.88800 31.85900  1.000 38.91744  ? 375 ILE A HG12 1 
ATOM   785  H  HG13 . ILE A 1 56  ? 24.94600 18.48200 30.77400  1.000 38.91744  ? 375 ILE A HG13 1 
ATOM   786  H  HG21 . ILE A 1 56  ? 24.53400 19.81500 34.04300  1.000 39.33320  ? 375 ILE A HG21 1 
ATOM   787  H  HG22 . ILE A 1 56  ? 23.52600 20.97100 33.64700  1.000 39.33320  ? 375 ILE A HG22 1 
ATOM   788  H  HG23 . ILE A 1 56  ? 23.04200 19.46300 33.64400  1.000 39.33320  ? 375 ILE A HG23 1 
ATOM   789  H  HD11 . ILE A 1 56  ? 26.16300 17.21200 32.26400  1.000 49.81961  ? 375 ILE A HD11 1 
ATOM   790  H  HD12 . ILE A 1 56  ? 26.62800 18.72200 32.36200  1.000 49.81961  ? 375 ILE A HD12 1 
ATOM   791  H  HD13 . ILE A 1 56  ? 25.66400 18.11800 33.46300  1.000 49.81961  ? 375 ILE A HD13 1 
ATOM   792  N  N    . VAL A 1 57  ? 22.93600 22.71300 31.26300  1.000 36.72164  ? 376 VAL A N    1 
ATOM   793  C  CA   . VAL A 1 57  ? 22.30900 23.99000 31.57100  1.000 33.92717  ? 376 VAL A CA   1 
ATOM   794  C  C    . VAL A 1 57  ? 21.03600 24.15100 30.75900  1.000 21.62300  ? 376 VAL A C    1 
ATOM   795  O  O    . VAL A 1 57  ? 19.99100 24.54800 31.28100  1.000 27.22682  ? 376 VAL A O    1 
ATOM   796  C  CB   . VAL A 1 57  ? 23.31700 25.13000 31.28500  1.000 28.84164  ? 376 VAL A CB   1 
ATOM   797  C  CG1  . VAL A 1 57  ? 22.60900 26.45200 31.08200  1.000 42.35826  ? 376 VAL A CG1  1 
ATOM   798  C  CG2  . VAL A 1 57  ? 24.38800 25.20700 32.36200  1.000 35.26687  ? 376 VAL A CG2  1 
ATOM   799  H  H    . VAL A 1 57  ? 23.73600 22.78100 30.95400  1.000 44.25380  ? 376 VAL A H    1 
ATOM   800  H  HA   . VAL A 1 57  ? 22.06400 24.02500 32.50900  1.000 40.90044  ? 376 VAL A HA   1 
ATOM   801  H  HB   . VAL A 1 57  ? 23.77200 24.92400 30.45300  1.000 34.79780  ? 376 VAL A HB   1 
ATOM   802  H  HG11 . VAL A 1 57  ? 23.26300 27.14600 30.90500  1.000 51.01775  ? 376 VAL A HG11 1 
ATOM   803  H  HG12 . VAL A 1 57  ? 22.00100 26.38200 30.32900  1.000 51.01775  ? 376 VAL A HG12 1 
ATOM   804  H  HG13 . VAL A 1 57  ? 22.10800 26.67700 31.88100  1.000 51.01775  ? 376 VAL A HG13 1 
ATOM   805  H  HG21 . VAL A 1 57  ? 25.00300 25.92800 32.15600  1.000 42.50809  ? 376 VAL A HG21 1 
ATOM   806  H  HG22 . VAL A 1 57  ? 23.97100 25.37400 33.22200  1.000 42.50809  ? 376 VAL A HG22 1 
ATOM   807  H  HG23 . VAL A 1 57  ? 24.87400 24.36800 32.39600  1.000 42.50809  ? 376 VAL A HG23 1 
ATOM   808  N  N    . GLN A 1 58  ? 21.10200 23.83000 29.47500  1.000 33.42779  ? 377 GLN A N    1 
ATOM   809  C  CA   . GLN A 1 58  ? 19.95600 24.02400 28.59600  1.000 34.62243  ? 377 GLN A CA   1 
ATOM   810  C  C    . GLN A 1 58  ? 18.80900 23.11000 28.98300  1.000 31.86428  ? 377 GLN A C    1 
ATOM   811  O  O    . GLN A 1 58  ? 17.65600 23.54500 29.08000  1.000 34.53387  ? 377 GLN A O    1 
ATOM   812  C  CB   . GLN A 1 58  ? 20.37600 23.80300 27.13400  1.000 33.52398  ? 377 GLN A CB   1 
ATOM   813  C  CG   . GLN A 1 58  ? 19.28700 24.20600 26.15500  1.000 41.12476  ? 377 GLN A CG   1 
ATOM   814  C  CD   . GLN A 1 58  ? 19.68000 24.02700 24.73400  1.000 35.41889  ? 377 GLN A CD   1 
ATOM   815  O  OE1  . GLN A 1 58  ? 20.84200 23.77300 24.40900  1.000 50.95797  ? 377 GLN A OE1  1 
ATOM   816  N  NE2  . GLN A 1 58  ? 18.70700 24.16400 23.85400  1.000 49.99483  ? 377 GLN A NE2  1 
ATOM   817  H  H    . GLN A 1 58  ? 21.79800 23.50000 29.09300  1.000 40.30118  ? 377 GLN A H    1 
ATOM   818  H  HA   . GLN A 1 58  ? 19.64100 24.93600 28.69200  1.000 41.73475  ? 377 GLN A HA   1 
ATOM   819  H  HB2  . GLN A 1 58  ? 21.17900 24.31400 26.95000  1.000 40.41662  ? 377 GLN A HB2  1 
ATOM   820  H  HB3  . GLN A 1 58  ? 20.59800 22.86800 27.00100  1.000 40.41662  ? 377 GLN A HB3  1 
ATOM   821  H  HG2  . GLN A 1 58  ? 18.49100 23.68100 26.33300  1.000 49.53755  ? 377 GLN A HG2  1 
ATOM   822  H  HG3  . GLN A 1 58  ? 19.05400 25.13500 26.30500  1.000 49.53755  ? 377 GLN A HG3  1 
ATOM   823  H  HE21 . GLN A 1 58  ? 17.90900 24.34100 24.12000  1.000 60.18164  ? 377 GLN A HE21 1 
ATOM   824  H  HE22 . GLN A 1 58  ? 18.87100 24.07600 23.01400  1.000 60.18164  ? 377 GLN A HE22 1 
ATOM   825  N  N    . THR A 1 59  ? 19.11400 21.83500 29.23700  1.000 26.15052  ? 378 THR A N    1 
ATOM   826  C  CA   . THR A 1 59  ? 18.09700 20.88200 29.67500  1.000 29.33858  ? 378 THR A CA   1 
ATOM   827  C  C    . THR A 1 59  ? 17.36500 21.36800 30.92400  1.000 30.66890  ? 378 THR A C    1 
ATOM   828  O  O    . THR A 1 59  ? 16.14600 21.18500 31.05000  1.000 31.45212  ? 378 THR A O    1 
ATOM   829  C  CB   . THR A 1 59  ? 18.76300 19.53000 29.92500  1.000 36.99970  ? 378 THR A CB   1 
ATOM   830  O  OG1  . THR A 1 59  ? 19.39300 19.09500 28.72000  1.000 42.07291  ? 378 THR A OG1  1 
ATOM   831  C  CG2  . THR A 1 59  ? 17.75600 18.49500 30.36600  1.000 39.55668  ? 378 THR A CG2  1 
ATOM   832  H  H    . THR A 1 59  ? 19.90400 21.50400 29.16100  1.000 31.56846  ? 378 THR A H    1 
ATOM   833  H  HA   . THR A 1 59  ? 17.42900 20.79400 28.97700  1.000 35.39413  ? 378 THR A HA   1 
ATOM   834  H  HB   . THR A 1 59  ? 19.41800 19.63400 30.63300  1.000 44.58748  ? 378 THR A HB   1 
ATOM   835  H  HG1  . THR A 1 59  ? 20.11200 19.51600 28.61200  1.000 50.67533  ? 378 THR A HG1  1 
ATOM   836  H  HG21 . THR A 1 59  ? 18.20600 17.64900 30.51700  1.000 47.65586  ? 378 THR A HG21 1 
ATOM   837  H  HG22 . THR A 1 59  ? 17.33100 18.78600 31.18800  1.000 47.65586  ? 378 THR A HG22 1 
ATOM   838  H  HG23 . THR A 1 59  ? 17.08300 18.38400 29.67700  1.000 47.65586  ? 378 THR A HG23 1 
ATOM   839  N  N    . LEU A 1 60  ? 18.09800 22.00800 31.84800  1.000 34.28164  ? 379 LEU A N    1 
ATOM   840  C  CA   . LEU A 1 60  ? 17.49800 22.56200 33.06400  1.000 37.46881  ? 379 LEU A CA   1 
ATOM   841  C  C    . LEU A 1 60  ? 16.64700 23.79500 32.77500  1.000 23.29536  ? 379 LEU A C    1 
ATOM   842  O  O    . LEU A 1 60  ? 15.56400 23.95400 33.35800  1.000 37.23280  ? 379 LEU A O    1 
ATOM   843  C  CB   . LEU A 1 60  ? 18.58700 22.91400 34.08000  1.000 40.08606  ? 379 LEU A CB   1 
ATOM   844  C  CG   . LEU A 1 60  ? 19.34700 21.72800 34.66100  1.000 44.63148  ? 379 LEU A CG   1 
ATOM   845  C  CD1  . LEU A 1 60  ? 20.60000 22.19100 35.38600  1.000 37.78573  ? 379 LEU A CD1  1 
ATOM   846  C  CD2  . LEU A 1 60  ? 18.45000 20.98000 35.62200  1.000 39.11159  ? 379 LEU A CD2  1 
ATOM   847  H  H    . LEU A 1 60  ? 18.94700 22.13000 31.78500  1.000 41.32580  ? 379 LEU A H    1 
ATOM   848  H  HA   . LEU A 1 60  ? 16.91500 21.87900 33.43200  1.000 45.15042  ? 379 LEU A HA   1 
ATOM   849  H  HB2  . LEU A 1 60  ? 19.22400 23.51000 33.65500  1.000 48.29111  ? 379 LEU A HB2  1 
ATOM   850  H  HB3  . LEU A 1 60  ? 18.18000 23.40700 34.81000  1.000 48.29111  ? 379 LEU A HB3  1 
ATOM   851  H  HG   . LEU A 1 60  ? 19.61300 21.14300 33.93400  1.000 53.74561  ? 379 LEU A HG   1 
ATOM   852  H  HD11 . LEU A 1 60  ? 21.06800 21.42200 35.74700  1.000 45.53071  ? 379 LEU A HD11 1 
ATOM   853  H  HD12 . LEU A 1 60  ? 21.18000 22.65900 34.76400  1.000 45.53071  ? 379 LEU A HD12 1 
ATOM   854  H  HD13 . LEU A 1 60  ? 20.35300 22.78800 36.10900  1.000 45.53071  ? 379 LEU A HD13 1 
ATOM   855  H  HD21 . LEU A 1 60  ? 18.93200 20.22400 35.99300  1.000 47.12175  ? 379 LEU A HD21 1 
ATOM   856  H  HD22 . LEU A 1 60  ? 18.17800 21.57300 36.33900  1.000 47.12175  ? 379 LEU A HD22 1 
ATOM   857  H  HD23 . LEU A 1 60  ? 17.66400 20.66200 35.15100  1.000 47.12175  ? 379 LEU A HD23 1 
ATOM   858  N  N    . VAL A 1 61  ? 17.13800 24.70200 31.91800  1.000 32.18640  ? 380 VAL A N    1 
ATOM   859  C  CA   . VAL A 1 61  ? 16.33400 25.87300 31.57400  1.000 39.58589  ? 380 VAL A CA   1 
ATOM   860  C  C    . VAL A 1 61  ? 15.09200 25.43100 30.82200  1.000 32.01199  ? 380 VAL A C    1 
ATOM   861  O  O    . VAL A 1 61  ? 14.03000 26.06100 30.92300  1.000 34.83714  ? 380 VAL A O    1 
ATOM   862  C  CB   . VAL A 1 61  ? 17.14200 26.91600 30.76700  1.000 36.59694  ? 380 VAL A CB   1 
ATOM   863  C  CG1  . VAL A 1 61  ? 16.29200 28.16600 30.52200  1.000 36.69234  ? 380 VAL A CG1  1 
ATOM   864  C  CG2  . VAL A 1 61  ? 18.43900 27.29500 31.49000  1.000 36.15315  ? 380 VAL A CG2  1 
ATOM   865  H  H    . VAL A 1 61  ? 17.90900 24.65800 31.53900  1.000 38.81152  ? 380 VAL A H    1 
ATOM   866  H  HA   . VAL A 1 61  ? 16.06700 26.31300 32.39600  1.000 47.69091  ? 380 VAL A HA   1 
ATOM   867  H  HB   . VAL A 1 61  ? 17.37800 26.51800 29.91500  1.000 44.10416  ? 380 VAL A HB   1 
ATOM   868  H  HG11 . VAL A 1 61  ? 16.80700 28.81400 30.01600  1.000 44.21865  ? 380 VAL A HG11 1 
ATOM   869  H  HG12 . VAL A 1 61  ? 15.49700 27.92400 30.02200  1.000 44.21865  ? 380 VAL A HG12 1 
ATOM   870  H  HG13 . VAL A 1 61  ? 16.03300 28.55300 31.37300  1.000 44.21865  ? 380 VAL A HG13 1 
ATOM   871  H  HG21 . VAL A 1 61  ? 18.92400 27.94900 30.96300  1.000 43.57162  ? 380 VAL A HG21 1 
ATOM   872  H  HG22 . VAL A 1 61  ? 18.22700 27.67300 32.35800  1.000 43.57162  ? 380 VAL A HG22 1 
ATOM   873  H  HG23 . VAL A 1 61  ? 18.98700 26.50400 31.60800  1.000 43.57162  ? 380 VAL A HG23 1 
ATOM   874  N  N    . HIS A 1 62  ? 15.19600 24.32400 30.08300  1.000 31.06697  ? 381 HIS A N    1 
ATOM   875  C  CA   . HIS A 1 62  ? 14.02600 23.77600 29.40700  1.000 41.08876  ? 381 HIS A CA   1 
ATOM   876  C  C    . HIS A 1 62  ? 12.99000 23.28100 30.40500  1.000 40.83296  ? 381 HIS A C    1 
ATOM   877  O  O    . HIS A 1 62  ? 11.78600 23.44200 30.17400  1.000 53.90164  ? 381 HIS A O    1 
ATOM   878  C  CB   . HIS A 1 62  ? 14.41400 22.63500 28.47600  1.000 31.88061  ? 381 HIS A CB   1 
ATOM   879  C  CG   . HIS A 1 62  ? 13.23100 21.89400 27.94800  1.000 32.39080  ? 381 HIS A CG   1 
ATOM   880  N  ND1  . HIS A 1 62  ? 12.43200 22.43400 26.96400  1.000 44.58245  ? 381 HIS A ND1  1 
ATOM   881  C  CD2  . HIS A 1 62  ? 12.74100 20.66800 28.26400  1.000 36.99612  ? 381 HIS A CD2  1 
ATOM   882  C  CE1  . HIS A 1 62  ? 11.47700 21.55000 26.71900  1.000 34.94164  ? 381 HIS A CE1  1 
ATOM   883  N  NE2  . HIS A 1 62  ? 11.62700 20.46700 27.48100  1.000 42.23544  ? 381 HIS A NE2  1 
ATOM   884  H  H    . HIS A 1 62  ? 15.92500 23.88300 29.96300  1.000 37.46820  ? 381 HIS A H    1 
ATOM   885  H  HA   . HIS A 1 62  ? 13.63900 24.49500 28.88400  1.000 49.49435  ? 381 HIS A HA   1 
ATOM   886  H  HB2  . HIS A 1 62  ? 14.92700 22.98900 27.73300  1.000 38.44457  ? 381 HIS A HB2  1 
ATOM   887  H  HB3  . HIS A 1 62  ? 14.99200 22.01800 28.95100  1.000 38.44457  ? 381 HIS A HB3  1 
ATOM   888  H  HD1  . HIS A 1 62  ? 12.53400 23.19800 26.58200  1.000 53.68678  ? 381 HIS A HD1  1 
ATOM   889  H  HD2  . HIS A 1 62  ? 13.09100 20.07700 28.89000  1.000 44.58318  ? 381 HIS A HD2  1 
ATOM   890  H  HE1  . HIS A 1 62  ? 10.79400 21.66900 26.09900  1.000 42.11780  ? 381 HIS A HE1  1 
ATOM   891  N  N    . LEU A 1 63  ? 13.43500 22.64800 31.50300  1.000 41.26679  ? 382 LEU A N    1 
ATOM   892  C  CA   . LEU A 1 63  ? 12.48600 22.23700 32.53600  1.000 52.35497  ? 382 LEU A CA   1 
ATOM   893  C  C    . LEU A 1 63  ? 11.73800 23.43500 33.09800  1.000 38.62117  ? 382 LEU A C    1 
ATOM   894  O  O    . LEU A 1 63  ? 10.51800 23.38800 33.27900  1.000 42.85164  ? 382 LEU A O    1 
ATOM   895  C  CB   . LEU A 1 63  ? 13.20000 21.48400 33.66100  1.000 49.92164  ? 382 LEU A CB   1 
ATOM   896  C  CG   . LEU A 1 63  ? 13.74300 20.12600 33.23600  1.000 74.82686  ? 382 LEU A CG   1 
ATOM   897  C  CD1  . LEU A 1 63  ? 14.35200 19.45700 34.44800  1.000 82.97438  ? 382 LEU A CD1  1 
ATOM   898  C  CD2  . LEU A 1 63  ? 12.60500 19.28900 32.67700  1.000 93.34164  ? 382 LEU A CD2  1 
ATOM   899  H  H    . LEU A 1 63  ? 14.25800 22.45500 31.66100  1.000 49.70798  ? 382 LEU A H    1 
ATOM   900  H  HA   . LEU A 1 63  ? 11.84100 21.64000 32.12500  1.000 63.01380  ? 382 LEU A HA   1 
ATOM   901  H  HB2  . LEU A 1 63  ? 13.93200 22.02800 33.99000  1.000 60.09380  ? 382 LEU A HB2  1 
ATOM   902  H  HB3  . LEU A 1 63  ? 12.58400 21.36100 34.40000  1.000 60.09380  ? 382 LEU A HB3  1 
ATOM   903  H  HG   . LEU A 1 63  ? 14.42100 20.22400 32.54900  1.000 89.98007  ? 382 LEU A HG   1 
ATOM   904  H  HD11 . LEU A 1 63  ? 14.70400 18.58900 34.19600  1.000 99.75710  ? 382 LEU A HD11 1 
ATOM   905  H  HD12 . LEU A 1 63  ? 15.07100 20.00800 34.79500  1.000 99.75710  ? 382 LEU A HD12 1 
ATOM   906  H  HD13 . LEU A 1 63  ? 13.67300 19.34400 35.13100  1.000 99.75710  ? 382 LEU A HD13 1 
ATOM   907  H  HD21 . LEU A 1 63  ? 12.94400 18.42200 32.40400  1.000 112.19780 ? 382 LEU A HD21 1 
ATOM   908  H  HD22 . LEU A 1 63  ? 11.92500 19.17000 33.35900  1.000 112.19780 ? 382 LEU A HD22 1 
ATOM   909  H  HD23 . LEU A 1 63  ? 12.21800 19.74000 31.91000  1.000 112.19780 ? 382 LEU A HD23 1 
ATOM   910  N  N    . LYS A 1 64  ? 12.44900 24.52400 33.36000  1.000 41.26164  ? 383 LYS A N    1 
ATOM   911  C  CA   . LYS A 1 64  ? 11.80500 25.68300 33.95200  1.000 42.93164  ? 383 LYS A CA   1 
ATOM   912  C  C    . LYS A 1 64  ? 10.95200 26.42800 32.92800  1.000 51.15164  ? 383 LYS A C    1 
ATOM   913  O  O    . LYS A 1 64  ? 9.87300  26.92300 33.26600  1.000 64.15720  ? 383 LYS A O    1 
ATOM   914  C  CB   . LYS A 1 64  ? 12.87300 26.58700 34.56500  1.000 54.82459  ? 383 LYS A CB   1 
ATOM   915  C  CG   . LYS A 1 64  ? 12.35800 27.58900 35.57200  1.000 60.25562  ? 383 LYS A CG   1 
ATOM   916  C  CD   . LYS A 1 64  ? 12.03100 26.89900 36.90000  1.000 65.02013  ? 383 LYS A CD   1 
ATOM   917  C  CE   . LYS A 1 64  ? 11.44000 27.82900 37.93000  1.000 80.40872  ? 383 LYS A CE   1 
ATOM   918  N  NZ   . LYS A 1 64  ? 12.46300 28.76100 38.47000  1.000 80.18164  ? 383 LYS A NZ   1 
ATOM   919  H  H    . LYS A 1 64  ? 13.29100 24.61100 33.20500  1.000 49.70180  ? 383 LYS A H    1 
ATOM   920  H  HA   . LYS A 1 64  ? 11.20100 25.39200 34.65300  1.000 51.70580  ? 383 LYS A HA   1 
ATOM   921  H  HB2  . LYS A 1 64  ? 13.54100 26.03000 34.99500  1.000 65.97735  ? 383 LYS A HB2  1 
ATOM   922  H  HB3  . LYS A 1 64  ? 13.32100 27.06700 33.85100  1.000 65.97735  ? 383 LYS A HB3  1 
ATOM   923  H  HG2  . LYS A 1 64  ? 13.02200 28.28100 35.71600  1.000 72.49459  ? 383 LYS A HG2  1 
ATOM   924  H  HG3  . LYS A 1 64  ? 11.56500 28.02600 35.22500  1.000 72.49459  ? 383 LYS A HG3  1 
ATOM   925  H  HD2  . LYS A 1 64  ? 11.40900 26.17300 36.73500  1.000 78.21200  ? 383 LYS A HD2  1 
ATOM   926  H  HD3  . LYS A 1 64  ? 12.84100 26.50300 37.25900  1.000 78.21200  ? 383 LYS A HD3  1 
ATOM   927  H  HE2  . LYS A 1 64  ? 10.71600 28.33700 37.53200  1.000 96.67830  ? 383 LYS A HE2  1 
ATOM   928  H  HE3  . LYS A 1 64  ? 11.05800 27.31000 38.65500  1.000 96.67830  ? 383 LYS A HE3  1 
ATOM   929  H  HZ1  . LYS A 1 64  ? 12.06000 29.46400 38.83700  1.000 96.40580  ? 383 LYS A HZ1  1 
ATOM   930  H  HZ2  . LYS A 1 64  ? 12.95000 28.34300 39.08700  1.000 96.40580  ? 383 LYS A HZ2  1 
ATOM   931  H  HZ3  . LYS A 1 64  ? 12.99300 29.03500 37.81000  1.000 96.40580  ? 383 LYS A HZ3  1 
ATOM   932  N  N    . PHE A 1 65  ? 11.40400 26.49200 31.66800  1.000 57.66923  ? 384 PHE A N    1 
ATOM   933  C  CA   . PHE A 1 65  ? 10.76400 27.27100 30.59900  1.000 57.88164  ? 384 PHE A CA   1 
ATOM   934  C  C    . PHE A 1 65  ? 10.56100 26.42600 29.34100  1.000 58.83260  ? 384 PHE A C    1 
ATOM   935  O  O    . PHE A 1 65  ? 11.18200 26.68900 28.29800  1.000 50.28219  ? 384 PHE A O    1 
ATOM   936  C  CB   . PHE A 1 65  ? 11.61400 28.48700 30.23700  1.000 54.42631  ? 384 PHE A CB   1 
ATOM   937  C  CG   . PHE A 1 65  ? 11.96000 29.33800 31.38300  1.000 57.89164  ? 384 PHE A CG   1 
ATOM   938  C  CD1  . PHE A 1 65  ? 11.02800 30.22400 31.89200  1.000 65.20495  ? 384 PHE A CD1  1 
ATOM   939  C  CD2  . PHE A 1 65  ? 13.20600 29.27400 31.98100  1.000 60.25154  ? 384 PHE A CD2  1 
ATOM   940  C  CE1  . PHE A 1 65  ? 11.34300 31.04000 32.97300  1.000 62.74626  ? 384 PHE A CE1  1 
ATOM   941  C  CE2  . PHE A 1 65  ? 13.51400 30.08400 33.06600  1.000 67.55002  ? 384 PHE A CE2  1 
ATOM   942  C  CZ   . PHE A 1 65  ? 12.58300 30.96300 33.55500  1.000 62.95164  ? 384 PHE A CZ   1 
ATOM   943  H  H    . PHE A 1 65  ? 12.10800 26.07300 31.40600  1.000 69.39092  ? 384 PHE A H    1 
ATOM   944  H  HA   . PHE A 1 65  ? 9.90000  27.55900 30.93300  1.000 69.64580  ? 384 PHE A HA   1 
ATOM   945  H  HB2  . PHE A 1 65  ? 12.43200 28.18300 29.81300  1.000 65.49941  ? 384 PHE A HB2  1 
ATOM   946  H  HB3  . PHE A 1 65  ? 11.13600 29.02000 29.58300  1.000 65.49941  ? 384 PHE A HB3  1 
ATOM   947  H  HD1  . PHE A 1 65  ? 10.18300 30.27500 31.50800  1.000 78.43378  ? 384 PHE A HD1  1 
ATOM   948  H  HD2  . PHE A 1 65  ? 13.84400 28.68200 31.65300  1.000 72.48969  ? 384 PHE A HD2  1 
ATOM   949  H  HE1  . PHE A 1 65  ? 10.71200 31.63900 33.30200  1.000 75.48335  ? 384 PHE A HE1  1 
ATOM   950  H  HE2  . PHE A 1 65  ? 14.35400 30.03000 33.46200  1.000 81.24786  ? 384 PHE A HE2  1 
ATOM   951  H  HZ   . PHE A 1 65  ? 12.79200 31.50600 34.28000  1.000 75.72980  ? 384 PHE A HZ   1 
ATOM   952  N  N    . PRO A 1 66  ? 9.66700  25.43000 29.38300  1.000 53.01522  ? 385 PRO A N    1 
ATOM   953  C  CA   . PRO A 1 66  ? 9.60100  24.47400 28.25800  1.000 49.46254  ? 385 PRO A CA   1 
ATOM   954  C  C    . PRO A 1 66  ? 9.15000  25.11400 26.96100  1.000 55.45164  ? 385 PRO A C    1 
ATOM   955  O  O    . PRO A 1 66  ? 9.69200  24.80500 25.89100  1.000 56.23979  ? 385 PRO A O    1 
ATOM   956  C  CB   . PRO A 1 66  ? 8.59600  23.42100 28.74700  1.000 44.96985  ? 385 PRO A CB   1 
ATOM   957  C  CG   . PRO A 1 66  ? 8.37900  23.72500 30.18100  1.000 47.11779  ? 385 PRO A CG   1 
ATOM   958  C  CD   . PRO A 1 66  ? 8.61700  25.17600 30.36800  1.000 51.29817  ? 385 PRO A CD   1 
ATOM   959  H  HA   . PRO A 1 66  ? 10.47200 24.10600 28.04300  1.000 59.54289  ? 385 PRO A HA   1 
ATOM   960  H  HB2  . PRO A 1 66  ? 7.76500  23.47200 28.24900  1.000 54.15166  ? 385 PRO A HB2  1 
ATOM   961  H  HB3  . PRO A 1 66  ? 8.94400  22.52300 28.62800  1.000 54.15166  ? 385 PRO A HB3  1 
ATOM   962  H  HG2  . PRO A 1 66  ? 7.47600  23.49000 30.44700  1.000 56.72918  ? 385 PRO A HG2  1 
ATOM   963  H  HG3  . PRO A 1 66  ? 8.98200  23.20600 30.73500  1.000 56.72918  ? 385 PRO A HG3  1 
ATOM   964  H  HD2  . PRO A 1 66  ? 7.82000  25.70200 30.19600  1.000 61.74564  ? 385 PRO A HD2  1 
ATOM   965  H  HD3  . PRO A 1 66  ? 8.90500  25.38500 31.27000  1.000 61.74564  ? 385 PRO A HD3  1 
ATOM   966  N  N    . THR A 1 67  ? 8.16800  26.01200 27.04500  1.000 67.34997  ? 386 THR A N    1 
ATOM   967  C  CA   . THR A 1 67  ? 7.61700  26.67700 25.87400  1.000 65.60500  ? 386 THR A CA   1 
ATOM   968  C  C    . THR A 1 67  ? 8.64700  27.58000 25.19200  1.000 58.75374  ? 386 THR A C    1 
ATOM   969  O  O    . THR A 1 67  ? 8.58300  27.76000 23.97200  1.000 72.45164  ? 386 THR A O    1 
ATOM   970  C  CB   . THR A 1 67  ? 6.39500  27.48700 26.30200  1.000 66.61293  ? 386 THR A CB   1 
ATOM   971  O  OG1  . THR A 1 67  ? 6.79800  28.33700 27.37000  1.000 79.40002  ? 386 THR A OG1  1 
ATOM   972  C  CG2  . THR A 1 67  ? 5.23100  26.59100 26.84600  1.000 61.60434  ? 386 THR A CG2  1 
ATOM   973  H  H    . THR A 1 67  ? 7.80400  26.25100 27.78700  1.000 81.00780  ? 386 THR A H    1 
ATOM   974  H  HA   . THR A 1 67  ? 7.36100  26.00300 25.22500  1.000 78.91384  ? 386 THR A HA   1 
ATOM   975  H  HB   . THR A 1 67  ? 6.07100  27.96800 25.52400  1.000 80.12335  ? 386 THR A HB   1 
ATOM   976  H  HG1  . THR A 1 67  ? 6.13400  28.76700 27.65200  1.000 95.46786  ? 386 THR A HG1  1 
ATOM   977  H  HG21 . THR A 1 67  ? 4.48300  27.15300 27.10300  1.000 74.11305  ? 386 THR A HG21 1 
ATOM   978  H  HG22 . THR A 1 67  ? 4.94800  25.97300 26.15400  1.000 74.11305  ? 386 THR A HG22 1 
ATOM   979  H  HG23 . THR A 1 67  ? 5.54000  26.09200 27.61800  1.000 74.11305  ? 386 THR A HG23 1 
ATOM   980  N  N    . LYS A 1 68  ? 9.64000  28.11700 25.92000  1.000 60.34290  ? 387 LYS A N    1 
ATOM   981  C  CA   . LYS A 1 68  ? 10.61600 29.07100 25.36700  1.000 55.10164  ? 387 LYS A CA   1 
ATOM   982  C  C    . LYS A 1 68  ? 11.92800 28.42600 24.91100  1.000 71.58164  ? 387 LYS A C    1 
ATOM   983  O  O    . LYS A 1 68  ? 12.36000 28.60800 23.78000  1.000 81.30083  ? 387 LYS A O    1 
ATOM   984  C  CB   . LYS A 1 68  ? 10.97900 30.16400 26.37600  1.000 70.25430  ? 387 LYS A CB   1 
ATOM   985  C  CG   . LYS A 1 68  ? 9.84800  30.87800 27.15700  1.000 84.34599  ? 387 LYS A CG   1 
ATOM   986  C  CD   . LYS A 1 68  ? 10.37800 32.05500 27.94400  1.000 99.41086  ? 387 LYS A CD   1 
ATOM   987  C  CE   . LYS A 1 68  ? 9.38600  33.19100 28.04500  1.000 96.34616  ? 387 LYS A CE   1 
ATOM   988  N  NZ   . LYS A 1 68  ? 8.23200  32.79600 28.89000  1.000 100.03249 ? 387 LYS A NZ   1 
ATOM   989  H  H    . LYS A 1 68  ? 9.76500  27.93600 26.75100  1.000 72.59932  ? 387 LYS A H    1 
ATOM   990  H  HA   . LYS A 1 68  ? 10.16400 29.44400 24.59400  1.000 66.30980  ? 387 LYS A HA   1 
ATOM   991  H  HB2  . LYS A 1 68  ? 11.58100 29.77100 27.02800  1.000 84.49300  ? 387 LYS A HB2  1 
ATOM   992  H  HB3  . LYS A 1 68  ? 11.48000 30.84500 25.90100  1.000 84.49300  ? 387 LYS A HB3  1 
ATOM   993  H  HG2  . LYS A 1 68  ? 9.16700  31.18200 26.53700  1.000 101.40303 ? 387 LYS A HG2  1 
ATOM   994  H  HG3  . LYS A 1 68  ? 9.42200  30.24900 27.76000  1.000 101.40303 ? 387 LYS A HG3  1 
ATOM   995  H  HD2  . LYS A 1 68  ? 10.61700 31.76000 28.83700  1.000 119.48087 ? 387 LYS A HD2  1 
ATOM   996  H  HD3  . LYS A 1 68  ? 11.19100 32.37800 27.52500  1.000 119.48087 ? 387 LYS A HD3  1 
ATOM   997  H  HE2  . LYS A 1 68  ? 9.81800  33.97300 28.42300  1.000 115.80323 ? 387 LYS A HE2  1 
ATOM   998  H  HE3  . LYS A 1 68  ? 9.07700  33.43800 27.15900  1.000 115.80323 ? 387 LYS A HE3  1 
ATOM   999  H  HZ1  . LYS A 1 68  ? 7.47500  32.94200 28.44600  1.000 120.22682 ? 387 LYS A HZ1  1 
ATOM   1000 H  HZ2  . LYS A 1 68  ? 8.29500  31.93200 29.09300  1.000 120.22682 ? 387 LYS A HZ2  1 
ATOM   1001 H  HZ3  . LYS A 1 68  ? 8.23300  33.27700 29.63900  1.000 120.22682 ? 387 LYS A HZ3  1 
ATOM   1002 N  N    . VAL A 1 69  ? 12.62500 27.75100 25.78100  1.000 62.40465  ? 388 VAL A N    1 
ATOM   1003 C  CA   . VAL A 1 69  ? 13.91300 27.14700 25.46600  1.000 46.32546  ? 388 VAL A CA   1 
ATOM   1004 C  C    . VAL A 1 69  ? 13.67600 25.69800 25.07200  1.000 47.47954  ? 388 VAL A C    1 
ATOM   1005 O  O    . VAL A 1 69  ? 12.67700 25.10800 25.46200  1.000 53.11417  ? 388 VAL A O    1 
ATOM   1006 C  CB   . VAL A 1 69  ? 14.82500 27.22500 26.69600  1.000 49.22414  ? 388 VAL A CB   1 
ATOM   1007 C  CG1  . VAL A 1 69  ? 16.14300 26.57700 26.41800  1.000 47.56636  ? 388 VAL A CG1  1 
ATOM   1008 C  CG2  . VAL A 1 69  ? 14.98100 28.67700 27.17200  1.000 57.17529  ? 388 VAL A CG2  1 
ATOM   1009 H  H    . VAL A 1 69  ? 12.36900 27.62100 26.59200  1.000 75.07342  ? 388 VAL A H    1 
ATOM   1010 H  HA   . VAL A 1 69  ? 14.34200 27.61700 24.73400  1.000 55.77839  ? 388 VAL A HA   1 
ATOM   1011 H  HB   . VAL A 1 69  ? 14.41000 26.73200 27.42100  1.000 59.25681  ? 388 VAL A HB   1 
ATOM   1012 H  HG11 . VAL A 1 69  ? 16.70500 26.63600 27.20600  1.000 57.26747  ? 388 VAL A HG11 1 
ATOM   1013 H  HG12 . VAL A 1 69  ? 16.00400 25.64500 26.19000  1.000 57.26747  ? 388 VAL A HG12 1 
ATOM   1014 H  HG13 . VAL A 1 69  ? 16.57600 27.02900 25.67700  1.000 57.26747  ? 388 VAL A HG13 1 
ATOM   1015 H  HG21 . VAL A 1 69  ? 15.56100 28.70200 27.94900  1.000 68.79818  ? 388 VAL A HG21 1 
ATOM   1016 H  HG22 . VAL A 1 69  ? 15.37000 29.21100 26.46200  1.000 68.79818  ? 388 VAL A HG22 1 
ATOM   1017 H  HG23 . VAL A 1 69  ? 14.11100 29.03600 27.40600  1.000 68.79818  ? 388 VAL A HG23 1 
ATOM   1018 N  N    . SER A 1 70  ? 14.61800 25.09500 24.34500  1.000 58.93620  ? 389 SER A N    1 
ATOM   1019 C  CA   . SER A 1 70  ? 14.50400 23.71100 23.88900  1.000 64.45164  ? 389 SER A CA   1 
ATOM   1020 C  C    . SER A 1 70  ? 15.43700 22.76400 24.63200  1.000 56.38164  ? 389 SER A C    1 
ATOM   1021 O  O    . SER A 1 70  ? 16.45400 23.18600 25.18700  1.000 56.94176  ? 389 SER A O    1 
ATOM   1022 C  CB   . SER A 1 70  ? 14.82100 23.58200 22.40500  1.000 86.64164  ? 389 SER A CB   1 
ATOM   1023 O  OG   . SER A 1 70  ? 14.73500 22.21100 22.05000  1.000 100.05164 ? 389 SER A OG   1 
ATOM   1024 H  H    . SER A 1 70  ? 15.34600 25.48200 24.10100  1.000 70.91128  ? 389 SER A H    1 
ATOM   1025 H  HA   . SER A 1 70  ? 13.58300 23.46500 24.06800  1.000 77.52980  ? 389 SER A HA   1 
ATOM   1026 H  HB2  . SER A 1 70  ? 14.19800 24.10700 21.87900  1.000 104.15780 ? 389 SER A HB2  1 
ATOM   1027 H  HB3  . SER A 1 70  ? 15.70900 23.92500 22.21800  1.000 104.15780 ? 389 SER A HB3  1 
ATOM   1028 H  HG   . SER A 1 70  ? 14.90600 22.12200 21.23200  1.000 120.24980 ? 389 SER A HG   1 
ATOM   1029 N  N    . LYS A 1 71  ? 15.09600 21.45900 24.59200  1.000 57.39298  ? 390 LYS A N    1 
ATOM   1030 C  CA   . LYS A 1 71  ? 15.95000 20.42100 25.16600  1.000 49.92855  ? 390 LYS A CA   1 
ATOM   1031 C  C    . LYS A 1 71  ? 17.22200 20.30200 24.35300  1.000 51.25164  ? 390 LYS A C    1 
ATOM   1032 O  O    . LYS A 1 71  ? 17.34100 20.83200 23.25400  1.000 47.28193  ? 390 LYS A O    1 
ATOM   1033 C  CB   . LYS A 1 71  ? 15.26500 19.06200 25.18800  1.000 74.35024  ? 390 LYS A CB   1 
ATOM   1034 C  CG   . LYS A 1 71  ? 13.79500 19.16400 25.50100  1.000 96.27296  ? 390 LYS A CG   1 
ATOM   1035 C  CD   . LYS A 1 71  ? 12.82700 18.45600 24.52600  1.000 99.82164  ? 390 LYS A CD   1 
ATOM   1036 C  CE   . LYS A 1 71  ? 12.63400 19.21200 23.21200  1.000 95.65405  ? 390 LYS A CE   1 
ATOM   1037 N  NZ   . LYS A 1 71  ? 11.88200 20.49500 23.38300  1.000 103.83164 ? 390 LYS A NZ   1 
ATOM   1038 H  H    . LYS A 1 71  ? 14.37200 21.16400 24.23400  1.000 69.05941  ? 390 LYS A H    1 
ATOM   1039 H  HA   . LYS A 1 71  ? 16.14400 20.68200 26.08000  1.000 60.10210  ? 390 LYS A HA   1 
ATOM   1040 H  HB2  . LYS A 1 71  ? 15.38000 18.63100 24.32700  1.000 89.40813  ? 390 LYS A HB2  1 
ATOM   1041 H  HB3  . LYS A 1 71  ? 15.69500 18.49700 25.84800  1.000 89.40813  ? 390 LYS A HB3  1 
ATOM   1042 H  HG2  . LYS A 1 71  ? 13.64900 18.80200 26.38900  1.000 115.71538 ? 390 LYS A HG2  1 
ATOM   1043 H  HG3  . LYS A 1 71  ? 13.55700 20.10400 25.53500  1.000 115.71538 ? 390 LYS A HG3  1 
ATOM   1044 H  HD2  . LYS A 1 71  ? 13.16400 17.56700 24.33400  1.000 119.97380 ? 390 LYS A HD2  1 
ATOM   1045 H  HD3  . LYS A 1 71  ? 11.96600 18.34600 24.95800  1.000 119.97380 ? 390 LYS A HD3  1 
ATOM   1046 H  HE2  . LYS A 1 71  ? 13.50200 19.40100 22.82200  1.000 114.97269 ? 390 LYS A HE2  1 
ATOM   1047 H  HE3  . LYS A 1 71  ? 12.15900 18.64500 22.58500  1.000 114.97269 ? 390 LYS A HE3  1 
ATOM   1048 H  HZ1  . LYS A 1 71  ? 11.26600 20.56600 22.74400  1.000 124.78580 ? 390 LYS A HZ1  1 
ATOM   1049 H  HZ2  . LYS A 1 71  ? 11.48500 20.50300 24.17900  1.000 124.78580 ? 390 LYS A HZ2  1 
ATOM   1050 H  HZ3  . LYS A 1 71  ? 12.44700 21.18000 23.32700  1.000 124.78580 ? 390 LYS A HZ3  1 
ATOM   1051 N  N    . ALA A 1 72  ? 18.18000 19.60300 24.92000  1.000 51.49192  ? 391 ALA A N    1 
ATOM   1052 C  CA   . ALA A 1 72  ? 19.41500 19.30000 24.24000  1.000 51.01235  ? 391 ALA A CA   1 
ATOM   1053 C  C    . ALA A 1 72  ? 19.21000 18.05200 23.39900  1.000 39.94787  ? 391 ALA A C    1 
ATOM   1054 O  O    . ALA A 1 72  ? 18.43000 17.18100 23.76200  1.000 50.66316  ? 391 ALA A O    1 
ATOM   1055 C  CB   . ALA A 1 72  ? 20.54600 19.08800 25.24700  1.000 50.76164  ? 391 ALA A CB   1 
ATOM   1056 H  H    . ALA A 1 72  ? 18.13100 19.28800 25.71900  1.000 61.97814  ? 391 ALA A H    1 
ATOM   1057 H  HA   . ALA A 1 72  ? 19.66400 20.04300 23.66900  1.000 61.40266  ? 391 ALA A HA   1 
ATOM   1058 H  HB1  . ALA A 1 72  ? 21.36800 18.88500 24.77300  1.000 61.10180  ? 391 ALA A HB1  1 
ATOM   1059 H  HB2  . ALA A 1 72  ? 20.66700 19.89400 25.77300  1.000 61.10180  ? 391 ALA A HB2  1 
ATOM   1060 H  HB3  . ALA A 1 72  ? 20.32200 18.35000 25.83500  1.000 61.10180  ? 391 ALA A HB3  1 
ATOM   1061 N  N    . CYS A 1 73  ? 19.91500 17.95800 22.27000  1.000 52.06583  ? 392 CYS A N    1 
ATOM   1062 C  CA   . CYS A 1 73  ? 19.65900 16.83800 21.38300  1.000 51.23916  ? 392 CYS A CA   1 
ATOM   1063 C  C    . CYS A 1 73  ? 20.66500 15.71000 21.57600  1.000 45.93366  ? 392 CYS A C    1 
ATOM   1064 O  O    . CYS A 1 73  ? 21.80100 15.92400 21.98400  1.000 52.25562  ? 392 CYS A O    1 
ATOM   1065 C  CB   . CYS A 1 73  ? 19.63700 17.29900 19.93200  1.000 66.05164  ? 392 CYS A CB   1 
ATOM   1066 S  SG   . CYS A 1 73  ? 18.17700 18.30000 19.58600  1.000 91.77164  ? 392 CYS A SG   1 
ATOM   1067 H  H    . CYS A 1 73  ? 20.52100 18.51100 22.01100  1.000 62.66684  ? 392 CYS A H    1 
ATOM   1068 H  HA   . CYS A 1 73  ? 18.78600 16.48300 21.61200  1.000 61.67484  ? 392 CYS A HA   1 
ATOM   1069 H  HB2  . CYS A 1 73  ? 20.43700 17.81300 19.74100  1.000 79.44980  ? 392 CYS A HB2  1 
ATOM   1070 H  HB3  . CYS A 1 73  ? 19.64900 16.52700 19.34500  1.000 79.44980  ? 392 CYS A HB3  1 
ATOM   1071 N  N    . CYS A 1 74  ? 20.21300 14.48800 21.31000  1.000 54.21305  ? 393 CYS A N    1 
ATOM   1072 C  CA   . CYS A 1 74  ? 21.11300 13.35500 21.14400  1.000 41.12791  ? 393 CYS A CA   1 
ATOM   1073 C  C    . CYS A 1 74  ? 21.67100 13.36900 19.71000  1.000 34.79691  ? 393 CYS A C    1 
ATOM   1074 O  O    . CYS A 1 74  ? 20.91900 13.31200 18.73600  1.000 39.02568  ? 393 CYS A O    1 
ATOM   1075 C  CB   . CYS A 1 74  ? 20.35700 12.07200 21.46400  1.000 43.52812  ? 393 CYS A CB   1 
ATOM   1076 S  SG   . CYS A 1 74  ? 21.27700 10.56100 21.34700  1.000 55.45164  ? 393 CYS A SG   1 
ATOM   1077 H  H    . CYS A 1 74  ? 19.38000 14.29400 21.22100  1.000 65.24350  ? 393 CYS A H    1 
ATOM   1078 H  HA   . CYS A 1 74  ? 21.86600 13.41000 21.75300  1.000 49.54133  ? 393 CYS A HA   1 
ATOM   1079 H  HB2  . CYS A 1 74  ? 20.00500 12.14400 22.36500  1.000 52.42159  ? 393 CYS A HB2  1 
ATOM   1080 H  HB3  . CYS A 1 74  ? 19.59600 12.01100 20.86600  1.000 52.42159  ? 393 CYS A HB3  1 
ATOM   1081 N  N    . VAL A 1 75  ? 22.99100 13.45100 19.57200  1.000 34.35287  ? 394 VAL A N    1 
ATOM   1082 C  CA   . VAL A 1 75  ? 23.63900 13.64600 18.27400  1.000 42.61546  ? 394 VAL A CA   1 
ATOM   1083 C  C    . VAL A 1 75  ? 24.89400 12.78500 18.20800  1.000 37.87985  ? 394 VAL A C    1 
ATOM   1084 O  O    . VAL A 1 75  ? 25.44200 12.37500 19.23700  1.000 33.52950  ? 394 VAL A O    1 
ATOM   1085 C  CB   . VAL A 1 75  ? 24.01300 15.13100 18.01200  1.000 43.29587  ? 394 VAL A CB   1 
ATOM   1086 C  CG1  . VAL A 1 75  ? 22.79100 15.94800 17.67400  1.000 42.46597  ? 394 VAL A CG1  1 
ATOM   1087 C  CG2  . VAL A 1 75  ? 24.80300 15.77200 19.18500  1.000 35.33411  ? 394 VAL A CG2  1 
ATOM   1088 H  H    . VAL A 1 75  ? 23.54100 13.39500 20.23100  1.000 41.41128  ? 394 VAL A H    1 
ATOM   1089 H  HA   . VAL A 1 75  ? 23.00600 13.38400 17.58700  1.000 51.32639  ? 394 VAL A HA   1 
ATOM   1090 H  HB   . VAL A 1 75  ? 24.60700 15.13200 17.24500  1.000 52.14288  ? 394 VAL A HB   1 
ATOM   1091 H  HG11 . VAL A 1 75  ? 23.05100 16.86900 17.51500  1.000 51.14700  ? 394 VAL A HG11 1 
ATOM   1092 H  HG12 . VAL A 1 75  ? 22.37200 15.58900 16.87600  1.000 51.14700  ? 394 VAL A HG12 1 
ATOM   1093 H  HG13 . VAL A 1 75  ? 22.16300 15.91200 18.41300  1.000 51.14700  ? 394 VAL A HG13 1 
ATOM   1094 H  HG21 . VAL A 1 75  ? 25.01000 16.69500 18.97000  1.000 42.58876  ? 394 VAL A HG21 1 
ATOM   1095 H  HG22 . VAL A 1 75  ? 24.26600 15.74100 19.99200  1.000 42.58876  ? 394 VAL A HG22 1 
ATOM   1096 H  HG23 . VAL A 1 75  ? 25.62700 15.28100 19.32700  1.000 42.58876  ? 394 VAL A HG23 1 
ATOM   1097 N  N    . PRO A 1 76  ? 25.34800 12.46900 17.00700  1.000 37.85226  ? 395 PRO A N    1 
ATOM   1098 C  CA   . PRO A 1 76  ? 26.66400 11.86300 16.86400  1.000 38.76736  ? 395 PRO A CA   1 
ATOM   1099 C  C    . PRO A 1 76  ? 27.75200 12.78600 17.37500  1.000 34.94233  ? 395 PRO A C    1 
ATOM   1100 O  O    . PRO A 1 76  ? 27.82100 13.96500 17.01200  1.000 47.34346  ? 395 PRO A O    1 
ATOM   1101 C  CB   . PRO A 1 76  ? 26.77900 11.65900 15.35800  1.000 26.14509  ? 395 PRO A CB   1 
ATOM   1102 C  CG   . PRO A 1 76  ? 25.37200 11.45800 14.89700  1.000 35.14707  ? 395 PRO A CG   1 
ATOM   1103 C  CD   . PRO A 1 76  ? 24.64700 12.51100 15.69400  1.000 34.23173  ? 395 PRO A CD   1 
ATOM   1104 H  HA   . PRO A 1 76  ? 26.76600 11.04300 17.37200  1.000 46.70867  ? 395 PRO A HA   1 
ATOM   1105 H  HB2  . PRO A 1 76  ? 27.18500 12.42800 14.92800  1.000 31.56194  ? 395 PRO A HB2  1 
ATOM   1106 H  HB3  . PRO A 1 76  ? 27.33300 10.89100 15.14700  1.000 31.56194  ? 395 PRO A HB3  1 
ATOM   1107 H  HG2  . PRO A 1 76  ? 25.27700 11.59300 13.94100  1.000 42.36432  ? 395 PRO A HG2  1 
ATOM   1108 H  HG3  . PRO A 1 76  ? 25.04800 10.56500 15.09100  1.000 42.36432  ? 395 PRO A HG3  1 
ATOM   1109 H  HD2  . PRO A 1 76  ? 24.71200 13.38500 15.27900  1.000 41.26591  ? 395 PRO A HD2  1 
ATOM   1110 H  HD3  . PRO A 1 76  ? 23.70300 12.30900 15.78300  1.000 41.26591  ? 395 PRO A HD3  1 
ATOM   1111 N  N    . THR A 1 77  ? 28.61300 12.21900 18.20200  1.000 32.41199  ? 396 THR A N    1 
ATOM   1112 C  CA   . THR A 1 77  ? 29.76200 12.89400 18.73500  1.000 43.78436  ? 396 THR A CA   1 
ATOM   1113 C  C    . THR A 1 77  ? 31.04300 12.35000 18.13200  1.000 41.13224  ? 396 THR A C    1 
ATOM   1114 O  O    . THR A 1 77  ? 32.05700 13.05500 18.14400  1.000 48.89944  ? 396 THR A O    1 
ATOM   1115 C  CB   . THR A 1 77  ? 29.80500 12.77900 20.28100  1.000 39.70022  ? 396 THR A CB   1 
ATOM   1116 O  OG1  . THR A 1 77  ? 30.02000 11.41400 20.64400  1.000 46.15157  ? 396 THR A OG1  1 
ATOM   1117 C  CG2  . THR A 1 77  ? 28.48500 13.23700 20.91400  1.000 42.58348  ? 396 THR A CG2  1 
ATOM   1118 H  H    . THR A 1 77  ? 28.53600 11.40600 18.47300  1.000 39.08223  ? 396 THR A H    1 
ATOM   1119 H  HA   . THR A 1 77  ? 29.68800 13.83200 18.49800  1.000 52.72907  ? 396 THR A HA   1 
ATOM   1120 H  HB   . THR A 1 77  ? 30.52300 13.34600 20.60200  1.000 47.82810  ? 396 THR A HB   1 
ATOM   1121 H  HG1  . THR A 1 77  ? 29.69600 10.91200 20.05300  1.000 55.56973  ? 396 THR A HG1  1 
ATOM   1122 H  HG21 . THR A 1 77  ? 28.54200 13.15400 21.87900  1.000 51.28801  ? 396 THR A HG21 1 
ATOM   1123 H  HG22 . THR A 1 77  ? 28.31800 14.16300 20.67900  1.000 51.28801  ? 396 THR A HG22 1 
ATOM   1124 H  HG23 . THR A 1 77  ? 27.75900 12.68400 20.58500  1.000 51.28801  ? 396 THR A HG23 1 
ATOM   1125 N  N    . LYS A 1 78  ? 31.02600 11.14900 17.55500  1.000 42.29913  ? 397 LYS A N    1 
ATOM   1126 C  CA   . LYS A 1 78  ? 32.16100 10.73700 16.74000  1.000 42.47651  ? 397 LYS A CA   1 
ATOM   1127 C  C    . LYS A 1 78  ? 31.64400 9.98800  15.52000  1.000 38.20670  ? 397 LYS A C    1 
ATOM   1128 O  O    . LYS A 1 78  ? 30.62400 9.30100  15.61300  1.000 44.26164  ? 397 LYS A O    1 
ATOM   1129 C  CB   . LYS A 1 78  ? 33.12700 9.87000  17.56700  1.000 47.75515  ? 397 LYS A CB   1 
ATOM   1130 C  CG   . LYS A 1 78  ? 34.23500 9.31500  16.71200  1.000 62.92121  ? 397 LYS A CG   1 
ATOM   1131 C  CD   . LYS A 1 78  ? 35.15500 8.37200  17.46600  1.000 68.31218  ? 397 LYS A CD   1 
ATOM   1132 C  CE   . LYS A 1 78  ? 36.25000 7.84500  16.56800  1.000 79.79767  ? 397 LYS A CE   1 
ATOM   1133 N  NZ   . LYS A 1 78  ? 37.04200 6.78600  17.23800  1.000 87.24539  ? 397 LYS A NZ   1 
ATOM   1134 H  H    . LYS A 1 78  ? 30.38800 10.57600 17.62000  1.000 50.94680  ? 397 LYS A H    1 
ATOM   1135 H  HA   . LYS A 1 78  ? 32.65600 11.51600 16.44200  1.000 51.15965  ? 397 LYS A HA   1 
ATOM   1136 H  HB2  . LYS A 1 78  ? 33.50500 10.40000 18.28600  1.000 57.49401  ? 397 LYS A HB2  1 
ATOM   1137 H  HB3  . LYS A 1 78  ? 32.63800 9.14100  17.97900  1.000 57.49401  ? 397 LYS A HB3  1 
ATOM   1138 H  HG2  . LYS A 1 78  ? 33.84900 8.84500  15.95600  1.000 75.69330  ? 397 LYS A HG2  1 
ATOM   1139 H  HG3  . LYS A 1 78  ? 34.75700 10.04900 16.35300  1.000 75.69330  ? 397 LYS A HG3  1 
ATOM   1140 H  HD2  . LYS A 1 78  ? 35.54800 8.83500  18.22200  1.000 82.16245  ? 397 LYS A HD2  1 
ATOM   1141 H  HD3  . LYS A 1 78  ? 34.64100 7.63100  17.82300  1.000 82.16245  ? 397 LYS A HD3  1 
ATOM   1142 H  HE2  . LYS A 1 78  ? 35.86000 7.49200  15.75300  1.000 95.94504  ? 397 LYS A HE2  1 
ATOM   1143 H  HE3  . LYS A 1 78  ? 36.83600 8.57300  16.30900  1.000 95.94504  ? 397 LYS A HE3  1 
ATOM   1144 H  HZ1  . LYS A 1 78  ? 37.36300 6.22400  16.62700  1.000 104.88230 ? 397 LYS A HZ1  1 
ATOM   1145 H  HZ2  . LYS A 1 78  ? 37.71700 7.15700  17.68300  1.000 104.88230 ? 397 LYS A HZ2  1 
ATOM   1146 H  HZ3  . LYS A 1 78  ? 36.52200 6.34100  17.80600  1.000 104.88230 ? 397 LYS A HZ3  1 
ATOM   1147 N  N    . LEU A 1 79  ? 32.34200 10.09300 14.37400  1.000 41.92018  ? 398 LEU A N    1 
ATOM   1148 C  CA   . LEU A 1 79  ? 31.85600 9.49100  13.11300  1.000 39.90904  ? 398 LEU A CA   1 
ATOM   1149 C  C    . LEU A 1 79  ? 32.91800 8.58100  12.49700  1.000 34.22635  ? 398 LEU A C    1 
ATOM   1150 O  O    . LEU A 1 79  ? 34.10400 8.65000  12.83300  1.000 50.00033  ? 398 LEU A O    1 
ATOM   1151 C  CB   . LEU A 1 79  ? 31.39300 10.57400 12.09700  1.000 41.26437  ? 398 LEU A CB   1 
ATOM   1152 C  CG   . LEU A 1 79  ? 30.21700 11.45600 12.57100  1.000 41.05671  ? 398 LEU A CG   1 
ATOM   1153 C  CD1  . LEU A 1 79  ? 29.97200 12.61400 11.62400  1.000 39.91577  ? 398 LEU A CD1  1 
ATOM   1154 C  CD2  . LEU A 1 79  ? 28.97200 10.59700 12.68900  1.000 34.01007  ? 398 LEU A CD2  1 
ATOM   1155 H  H    . LEU A 1 79  ? 33.09400 10.50500 14.30500  1.000 50.49205  ? 398 LEU A H    1 
ATOM   1156 H  HA   . LEU A 1 79  ? 31.08100 8.94900  13.33100  1.000 48.07869  ? 398 LEU A HA   1 
ATOM   1157 H  HB2  . LEU A 1 79  ? 32.14700 11.14800 11.89100  1.000 49.70509  ? 398 LEU A HB2  1 
ATOM   1158 H  HB3  . LEU A 1 79  ? 31.13700 10.13500 11.27100  1.000 49.70509  ? 398 LEU A HB3  1 
ATOM   1159 H  HG   . LEU A 1 79  ? 30.44100 11.83400 13.43600  1.000 49.45589  ? 398 LEU A HG   1 
ATOM   1160 H  HD11 . LEU A 1 79  ? 29.22900 13.14700 11.94900  1.000 48.08676  ? 398 LEU A HD11 1 
ATOM   1161 H  HD12 . LEU A 1 79  ? 30.76800 13.16600 11.57500  1.000 48.08676  ? 398 LEU A HD12 1 
ATOM   1162 H  HD13 . LEU A 1 79  ? 29.76100 12.27100 10.74100  1.000 48.08676  ? 398 LEU A HD13 1 
ATOM   1163 H  HD21 . LEU A 1 79  ? 28.22800 11.14400 12.98600  1.000 40.99992  ? 398 LEU A HD21 1 
ATOM   1164 H  HD22 . LEU A 1 79  ? 28.76300 10.21000 11.82500  1.000 40.99992  ? 398 LEU A HD22 1 
ATOM   1165 H  HD23 . LEU A 1 79  ? 29.12800 9.88700  13.33100  1.000 40.99992  ? 398 LEU A HD23 1 
ATOM   1166 N  N    . SER A 1 80  ? 32.47300 7.66600  11.63700  1.000 37.11482  ? 399 SER A N    1 
ATOM   1167 C  CA   . SER A 1 80  ? 33.41100 6.76500  10.99800  1.000 38.15114  ? 399 SER A CA   1 
ATOM   1168 C  C    . SER A 1 80  ? 33.29000 6.83600  9.47400   1.000 43.07324  ? 399 SER A C    1 
ATOM   1169 O  O    . SER A 1 80  ? 32.21900 7.06000  8.91300   1.000 32.24305  ? 399 SER A O    1 
ATOM   1170 C  CB   . SER A 1 80  ? 33.21900 5.31600  11.46600  1.000 41.67785  ? 399 SER A CB   1 
ATOM   1171 O  OG   . SER A 1 80  ? 33.39000 5.19200  12.88300  1.000 57.30012  ? 399 SER A OG   1 
ATOM   1172 H  H    . SER A 1 80  ? 31.64900 7.55600  11.41700  1.000 44.72562  ? 399 SER A H    1 
ATOM   1173 H  HA   . SER A 1 80  ? 34.30000 7.05300  11.25900  1.000 45.96920  ? 399 SER A HA   1 
ATOM   1174 H  HB2  . SER A 1 80  ? 32.33200 5.01000  11.21800  1.000 50.20126  ? 399 SER A HB2  1 
ATOM   1175 H  HB3  . SER A 1 80  ? 33.85500 4.74100  11.01100  1.000 50.20126  ? 399 SER A HB3  1 
ATOM   1176 H  HG   . SER A 1 80  ? 33.27800 4.39100  13.11000  1.000 68.94799  ? 399 SER A HG   1 
ATOM   1177 N  N    . PRO A 1 81  ? 34.39800 6.62600  8.78500   1.000 40.29427  ? 400 PRO A N    1 
ATOM   1178 C  CA   . PRO A 1 81  ? 34.35800 6.46100  7.32500   1.000 41.04494  ? 400 PRO A CA   1 
ATOM   1179 C  C    . PRO A 1 81  ? 33.70700 5.14700  6.88700   1.000 42.95506  ? 400 PRO A C    1 
ATOM   1180 O  O    . PRO A 1 81  ? 33.63500 4.14300  7.62300   1.000 39.65164  ? 400 PRO A O    1 
ATOM   1181 C  CB   . PRO A 1 81  ? 35.84600 6.46400  6.94900   1.000 49.56767  ? 400 PRO A CB   1 
ATOM   1182 C  CG   . PRO A 1 81  ? 36.50900 5.92000  8.16900   1.000 50.58878  ? 400 PRO A CG   1 
ATOM   1183 C  CD   . PRO A 1 81  ? 35.72900 6.34900  9.35300   1.000 38.45652  ? 400 PRO A CD   1 
ATOM   1184 H  HA   . PRO A 1 81  ? 33.82800 7.15100  6.89600   1.000 49.44177  ? 400 PRO A HA   1 
ATOM   1185 H  HB2  . PRO A 1 81  ? 36.02000 5.91200  6.17100   1.000 59.66904  ? 400 PRO A HB2  1 
ATOM   1186 H  HB3  . PRO A 1 81  ? 36.16000 7.35700  6.73900   1.000 59.66904  ? 400 PRO A HB3  1 
ATOM   1187 H  HG2  . PRO A 1 81  ? 36.55300 4.95200  8.12600   1.000 60.89438  ? 400 PRO A HG2  1 
ATOM   1188 H  HG3  . PRO A 1 81  ? 37.42100 6.24300  8.23000   1.000 60.89438  ? 400 PRO A HG3  1 
ATOM   1189 H  HD2  . PRO A 1 81  ? 35.69400 5.65600  10.03100  1.000 46.33566  ? 400 PRO A HD2  1 
ATOM   1190 H  HD3  . PRO A 1 81  ? 36.11300 7.13600  9.77100   1.000 46.33566  ? 400 PRO A HD3  1 
ATOM   1191 N  N    . ILE A 1 82  ? 33.24800 5.17600  5.63600   1.000 37.62164  ? 401 ILE A N    1 
ATOM   1192 C  CA   . ILE A 1 82  ? 33.02200 3.97900  4.84200   1.000 35.64972  ? 401 ILE A CA   1 
ATOM   1193 C  C    . ILE A 1 82  ? 33.84700 4.08100  3.56700   1.000 32.66164  ? 401 ILE A C    1 
ATOM   1194 O  O    . ILE A 1 82  ? 34.52200 5.07600  3.30100   1.000 39.92164  ? 401 ILE A O    1 
ATOM   1195 C  CB   . ILE A 1 82  ? 31.52600 3.76400  4.52800   1.000 48.36082  ? 401 ILE A CB   1 
ATOM   1196 C  CG1  . ILE A 1 82  ? 30.94700 4.89300  3.65400   1.000 46.28618  ? 401 ILE A CG1  1 
ATOM   1197 C  CG2  . ILE A 1 82  ? 30.75600 3.64100  5.84100   1.000 47.24633  ? 401 ILE A CG2  1 
ATOM   1198 C  CD1  . ILE A 1 82  ? 29.58500 4.55900  3.02800   1.000 40.63566  ? 401 ILE A CD1  1 
ATOM   1199 H  H    . ILE A 1 82  ? 33.05700 5.90500  5.22200   1.000 45.33380  ? 401 ILE A H    1 
ATOM   1200 H  HA   . ILE A 1 82  ? 33.30200 3.20400  5.35300   1.000 42.96751  ? 401 ILE A HA   1 
ATOM   1201 H  HB   . ILE A 1 82  ? 31.43400 2.94600  4.01500   1.000 58.22082  ? 401 ILE A HB   1 
ATOM   1202 H  HG12 . ILE A 1 82  ? 30.85700 5.69400  4.19400   1.000 55.73125  ? 401 ILE A HG12 1 
ATOM   1203 H  HG13 . ILE A 1 82  ? 31.57700 5.09700  2.94600   1.000 55.73125  ? 401 ILE A HG13 1 
ATOM   1204 H  HG21 . ILE A 1 82  ? 29.81400 3.50600  5.65300   1.000 56.88343  ? 401 ILE A HG21 1 
ATOM   1205 H  HG22 . ILE A 1 82  ? 31.09600 2.88600  6.34600   1.000 56.88343  ? 401 ILE A HG22 1 
ATOM   1206 H  HG23 . ILE A 1 82  ? 30.86800 4.45300  6.35900   1.000 56.88343  ? 401 ILE A HG23 1 
ATOM   1207 H  HD11 . ILE A 1 82  ? 29.28100 5.31000  2.49400   1.000 48.95063  ? 401 ILE A HD11 1 
ATOM   1208 H  HD12 . ILE A 1 82  ? 29.67200 3.77500  2.46300   1.000 48.95063  ? 401 ILE A HD12 1 
ATOM   1209 H  HD13 . ILE A 1 82  ? 28.94100 4.38100  3.73100   1.000 48.95063  ? 401 ILE A HD13 1 
ATOM   1210 N  N    . SER A 1 83  ? 33.82100 3.00600  2.80100   1.000 46.54388  ? 402 SER A N    1 
ATOM   1211 C  CA   . SER A 1 83  ? 34.46600 2.95200  1.48800   1.000 51.51274  ? 402 SER A CA   1 
ATOM   1212 C  C    . SER A 1 83  ? 33.37500 3.03700  0.44000   1.000 41.67679  ? 402 SER A C    1 
ATOM   1213 O  O    . SER A 1 83  ? 32.28200 2.50600  0.63800   1.000 49.11751  ? 402 SER A O    1 
ATOM   1214 C  CB   . SER A 1 83  ? 35.27200 1.66700  1.27900   1.000 52.32513  ? 402 SER A CB   1 
ATOM   1215 O  OG   . SER A 1 83  ? 36.22800 1.46800  2.25900   1.000 49.70164  ? 402 SER A OG   1 
ATOM   1216 H  H    . SER A 1 83  ? 33.42600 2.27600  3.02500   1.000 56.04050  ? 402 SER A H    1 
ATOM   1217 H  HA   . SER A 1 83  ? 35.09300 3.68900  1.42000   1.000 62.00312  ? 402 SER A HA   1 
ATOM   1218 H  HB2  . SER A 1 83  ? 34.66700 0.90900  1.26500   1.000 62.97800  ? 402 SER A HB2  1 
ATOM   1219 H  HB3  . SER A 1 83  ? 35.70600 1.70000  0.41200   1.000 62.97800  ? 402 SER A HB3  1 
ATOM   1220 H  HG   . SER A 1 83  ? 36.99300 1.49900  1.91400   1.000 59.82980  ? 402 SER A HG   1 
ATOM   1221 N  N    . VAL A 1 84  ? 33.64600 3.71800  -0.66100  1.000 49.98569  ? 403 VAL A N    1 
ATOM   1222 C  CA   . VAL A 1 84  ? 32.62100 3.83600  -1.69100  1.000 54.34969  ? 403 VAL A CA   1 
ATOM   1223 C  C    . VAL A 1 84  ? 33.27700 3.72200  -3.06000  1.000 51.29164  ? 403 VAL A C    1 
ATOM   1224 O  O    . VAL A 1 84  ? 34.43900 4.10000  -3.25700  1.000 52.74164  ? 403 VAL A O    1 
ATOM   1225 C  CB   . VAL A 1 84  ? 31.78700 5.14900  -1.56900  1.000 51.34021  ? 403 VAL A CB   1 
ATOM   1226 C  CG1  . VAL A 1 84  ? 30.89000 5.15200  -0.36300  1.000 51.48996  ? 403 VAL A CG1  1 
ATOM   1227 C  CG2  . VAL A 1 84  ? 32.67400 6.38400  -1.62500  1.000 48.94969  ? 403 VAL A CG2  1 
ATOM   1228 H  H    . VAL A 1 84  ? 34.39200 4.11000  -0.83200  1.000 60.17067  ? 403 VAL A H    1 
ATOM   1229 H  HA   . VAL A 1 84  ? 31.98800 3.11100  -1.57000  1.000 65.40747  ? 403 VAL A HA   1 
ATOM   1230 H  HB   . VAL A 1 84  ? 31.20200 5.18000  -2.34200  1.000 61.79609  ? 403 VAL A HB   1 
ATOM   1231 H  HG11 . VAL A 1 84  ? 30.39400 5.98500  -0.33000  1.000 61.97579  ? 403 VAL A HG11 1 
ATOM   1232 H  HG12 . VAL A 1 84  ? 30.26900 4.40900  -0.41900  1.000 61.97579  ? 403 VAL A HG12 1 
ATOM   1233 H  HG13 . VAL A 1 84  ? 31.42700 5.06400  0.44000   1.000 61.97579  ? 403 VAL A HG13 1 
ATOM   1234 H  HG21 . VAL A 1 84  ? 32.12600 7.18000  -1.54700  1.000 58.92747  ? 403 VAL A HG21 1 
ATOM   1235 H  HG22 . VAL A 1 84  ? 33.31200 6.35800  -0.89500  1.000 58.92747  ? 403 VAL A HG22 1 
ATOM   1236 H  HG23 . VAL A 1 84  ? 33.15100 6.40200  -2.47000  1.000 58.92747  ? 403 VAL A HG23 1 
ATOM   1237 N  N    . LEU A 1 85  ? 32.52500 3.14300  -3.99400  1.000 54.34421  ? 404 LEU A N    1 
ATOM   1238 C  CA   . LEU A 1 85  ? 32.93400 3.02900  -5.39800  1.000 58.14707  ? 404 LEU A CA   1 
ATOM   1239 C  C    . LEU A 1 85  ? 32.14600 4.05200  -6.21100  1.000 53.91215  ? 404 LEU A C    1 
ATOM   1240 O  O    . LEU A 1 85  ? 30.93900 3.89200  -6.43700  1.000 49.95183  ? 404 LEU A O    1 
ATOM   1241 C  CB   . LEU A 1 85  ? 32.71700 1.61300  -5.91200  1.000 55.49498  ? 404 LEU A CB   1 
ATOM   1242 C  CG   . LEU A 1 85  ? 33.29300 1.34700  -7.32200  1.000 53.25183  ? 404 LEU A CG   1 
ATOM   1243 C  CD1  . LEU A 1 85  ? 34.79500 1.49800  -7.37100  1.000 54.07923  ? 404 LEU A CD1  1 
ATOM   1244 C  CD2  . LEU A 1 85  ? 32.88100 -0.01500 -7.80400  1.000 43.36939  ? 404 LEU A CD2  1 
ATOM   1245 H  H    . LEU A 1 85  ? 31.75300 2.80100  -3.83000  1.000 65.40089  ? 404 LEU A H    1 
ATOM   1246 H  HA   . LEU A 1 85  ? 33.88200 3.21300  -5.48600  1.000 69.96432  ? 404 LEU A HA   1 
ATOM   1247 H  HB2  . LEU A 1 85  ? 33.12000 0.98900  -5.28800  1.000 66.78181  ? 404 LEU A HB2  1 
ATOM   1248 H  HB3  . LEU A 1 85  ? 31.76500 1.42800  -5.92400  1.000 66.78181  ? 404 LEU A HB3  1 
ATOM   1249 H  HG   . LEU A 1 85  ? 32.92400 2.02000  -7.91500  1.000 64.09003  ? 404 LEU A HG   1 
ATOM   1250 H  HD11 . LEU A 1 85  ? 35.10900 1.32200  -8.27200  1.000 65.08292  ? 404 LEU A HD11 1 
ATOM   1251 H  HD12 . LEU A 1 85  ? 35.03800 2.40100  -7.11500  1.000 65.08292  ? 404 LEU A HD12 1 
ATOM   1252 H  HD13 . LEU A 1 85  ? 35.20400 0.86700  -6.75800  1.000 65.08292  ? 404 LEU A HD13 1 
ATOM   1253 H  HD21 . LEU A 1 85  ? 33.24800 -0.17000 -8.68800  1.000 52.23111  ? 404 LEU A HD21 1 
ATOM   1254 H  HD22 . LEU A 1 85  ? 33.21600 -0.69000 -7.19300  1.000 52.23111  ? 404 LEU A HD22 1 
ATOM   1255 H  HD23 . LEU A 1 85  ? 31.91300 -0.06600 -7.84300  1.000 52.23111  ? 404 LEU A HD23 1 
ATOM   1256 N  N    . TYR A 1 86  ? 32.81700 5.12000  -6.61100  1.000 63.41758  ? 405 TYR A N    1 
ATOM   1257 C  CA   . TYR A 1 86  ? 32.12500 6.28500  -7.13200  1.000 67.63305  ? 405 TYR A CA   1 
ATOM   1258 C  C    . TYR A 1 86  ? 32.52300 6.57000  -8.57400  1.000 86.23941  ? 405 TYR A C    1 
ATOM   1259 O  O    . TYR A 1 86  ? 33.64200 6.28500  -9.00800  1.000 82.31892  ? 405 TYR A O    1 
ATOM   1260 C  CB   . TYR A 1 86  ? 32.37400 7.52700  -6.25300  1.000 68.83866  ? 405 TYR A CB   1 
ATOM   1261 C  CG   . TYR A 1 86  ? 33.75100 8.12100  -6.36300  1.000 68.15332  ? 405 TYR A CG   1 
ATOM   1262 C  CD1  . TYR A 1 86  ? 34.86000 7.46500  -5.85200  1.000 70.42776  ? 405 TYR A CD1  1 
ATOM   1263 C  CD2  . TYR A 1 86  ? 33.94900 9.35400  -6.97300  1.000 77.43010  ? 405 TYR A CD2  1 
ATOM   1264 C  CE1  . TYR A 1 86  ? 36.13500 8.01100  -5.95500  1.000 82.44716  ? 405 TYR A CE1  1 
ATOM   1265 C  CE2  . TYR A 1 86  ? 35.21900 9.91200  -7.07900  1.000 77.17376  ? 405 TYR A CE2  1 
ATOM   1266 C  CZ   . TYR A 1 86  ? 36.31200 9.23500  -6.56900  1.000 84.25470  ? 405 TYR A CZ   1 
ATOM   1267 O  OH   . TYR A 1 86  ? 37.57400 9.76700  -6.66500  1.000 91.21576  ? 405 TYR A OH   1 
ATOM   1268 H  H    . TYR A 1 86  ? 33.67400 5.19000  -6.58900  1.000 76.28893  ? 405 TYR A H    1 
ATOM   1269 H  HA   . TYR A 1 86  ? 31.17600 6.08400  -7.11300  1.000 81.34749  ? 405 TYR A HA   1 
ATOM   1270 H  HB2  . TYR A 1 86  ? 31.72400 8.20800  -6.48700  1.000 82.79423  ? 405 TYR A HB2  1 
ATOM   1271 H  HB3  . TYR A 1 86  ? 32.21300 7.28800  -5.32700  1.000 82.79423  ? 405 TYR A HB3  1 
ATOM   1272 H  HD1  . TYR A 1 86  ? 34.74900 6.64300  -5.43200  1.000 84.70115  ? 405 TYR A HD1  1 
ATOM   1273 H  HD2  . TYR A 1 86  ? 33.21800 9.81500  -7.31700  1.000 93.10396  ? 405 TYR A HD2  1 
ATOM   1274 H  HE1  . TYR A 1 86  ? 36.86700 7.55200  -5.61100  1.000 99.12443  ? 405 TYR A HE1  1 
ATOM   1275 H  HE2  . TYR A 1 86  ? 35.33300 10.73800 -7.49200  1.000 92.79635  ? 405 TYR A HE2  1 
ATOM   1276 H  HH   . TYR A 1 86  ? 38.13800 9.14600  -6.70900  1.000 109.64675 ? 405 TYR A HH   1 
ATOM   1277 N  N    . LYS A 1 87  ? 31.57300 7.13000  -9.30700  1.000 106.06345 ? 406 LYS A N    1 
ATOM   1278 C  CA   . LYS A 1 87  ? 31.81100 7.52800  -10.68400 1.000 117.79854 ? 406 LYS A CA   1 
ATOM   1279 C  C    . LYS A 1 87  ? 32.69600 8.77100  -10.74800 1.000 126.20211 ? 406 LYS A C    1 
ATOM   1280 O  O    . LYS A 1 87  ? 32.29800 9.84400  -10.29700 1.000 134.01164 ? 406 LYS A O    1 
ATOM   1281 C  CB   . LYS A 1 87  ? 30.47500 7.80200  -11.39900 1.000 124.36164 ? 406 LYS A CB   1 
ATOM   1282 C  CG   . LYS A 1 87  ? 29.61000 6.56300  -11.59400 1.000 120.29318 ? 406 LYS A CG   1 
ATOM   1283 C  CD   . LYS A 1 87  ? 28.44900 6.79000  -12.56800 1.000 119.92947 ? 406 LYS A CD   1 
ATOM   1284 C  CE   . LYS A 1 87  ? 27.79300 5.49600  -13.00200 1.000 125.29233 ? 406 LYS A CE   1 
ATOM   1285 N  NZ   . LYS A 1 87  ? 28.74600 4.59700  -13.72100 1.000 130.27585 ? 406 LYS A NZ   1 
ATOM   1286 H  H    . LYS A 1 87  ? 30.77700 7.28900  -9.02300  1.000 127.46397 ? 406 LYS A H    1 
ATOM   1287 H  HA   . LYS A 1 87  ? 32.26900 6.80000  -11.13200 1.000 141.54609 ? 406 LYS A HA   1 
ATOM   1288 H  HB2  . LYS A 1 87  ? 29.97400 8.45700  -10.88900 1.000 149.42180 ? 406 LYS A HB2  1 
ATOM   1289 H  HB3  . LYS A 1 87  ? 30.65800 8.19700  -12.26600 1.000 149.42180 ? 406 LYS A HB3  1 
ATOM   1290 H  HG2  . LYS A 1 87  ? 30.16300 5.83700  -11.92200 1.000 144.53966 ? 406 LYS A HG2  1 
ATOM   1291 H  HG3  . LYS A 1 87  ? 29.25500 6.28400  -10.73500 1.000 144.53966 ? 406 LYS A HG3  1 
ATOM   1292 H  HD2  . LYS A 1 87  ? 27.78600 7.36000  -12.14800 1.000 144.10320 ? 406 LYS A HD2  1 
ATOM   1293 H  HD3  . LYS A 1 87  ? 28.77500 7.26200  -13.35000 1.000 144.10320 ? 406 LYS A HD3  1 
ATOM   1294 H  HE2  . LYS A 1 87  ? 27.44100 5.03600  -12.22400 1.000 150.53864 ? 406 LYS A HE2  1 
ATOM   1295 H  HE3  . LYS A 1 87  ? 27.03900 5.69500  -13.57900 1.000 150.53864 ? 406 LYS A HE3  1 
ATOM   1296 H  HZ1  . LYS A 1 87  ? 28.29300 4.06200  -14.27000 1.000 156.51886 ? 406 LYS A HZ1  1 
ATOM   1297 H  HZ2  . LYS A 1 87  ? 29.32000 5.08800  -14.19200 1.000 156.51886 ? 406 LYS A HZ2  1 
ATOM   1298 H  HZ3  . LYS A 1 87  ? 29.19300 4.10500  -13.13000 1.000 156.51886 ? 406 LYS A HZ3  1 
ATOM   1299 N  N    . ASP A 1 88  ? 33.90000 8.60800  -11.31000 1.000 137.36284 ? 407 ASP A N    1 
ATOM   1300 C  CA   . ASP A 1 88  ? 34.80000 9.72100  -11.55700 1.000 138.44412 ? 407 ASP A CA   1 
ATOM   1301 C  C    . ASP A 1 88  ? 34.25200 10.57400 -12.70000 1.000 146.10659 ? 407 ASP A C    1 
ATOM   1302 O  O    . ASP A 1 88  ? 33.51900 10.06900 -13.54900 1.000 147.22956 ? 407 ASP A O    1 
ATOM   1303 C  CB   . ASP A 1 88  ? 36.20000 9.18500  -11.88900 1.000 136.32484 ? 407 ASP A CB   1 
ATOM   1304 C  CG   . ASP A 1 88  ? 37.26400 10.23500 -12.11400 1.000 136.51962 ? 407 ASP A CG   1 
ATOM   1305 O  OD1  . ASP A 1 88  ? 37.46700 11.07400 -11.21300 1.000 137.61327 ? 407 ASP A OD1  1 
ATOM   1306 O  OD2  . ASP A 1 88  ? 37.89800 10.21300 -13.19100 1.000 136.88893 ? 407 ASP A OD2  1 
ATOM   1307 H  H    . ASP A 1 88  ? 34.21100 7.84500  -11.55600 1.000 165.02325 ? 407 ASP A H    1 
ATOM   1308 H  HA   . ASP A 1 88  ? 34.86600 10.27700 -10.76500 1.000 166.32078 ? 407 ASP A HA   1 
ATOM   1309 H  HB2  . ASP A 1 88  ? 36.48700 8.60600  -11.16600 1.000 163.77764 ? 407 ASP A HB2  1 
ATOM   1310 H  HB3  . ASP A 1 88  ? 36.13800 8.63500  -12.68500 1.000 163.77764 ? 407 ASP A HB3  1 
ATOM   1311 N  N    . ASP A 1 89  ? 34.61800 11.86400 -12.71800 1.000 151.59334 ? 408 ASP A N    1 
ATOM   1312 C  CA   . ASP A 1 89  ? 34.18500 12.78100 -13.76300 1.000 153.27009 ? 408 ASP A CA   1 
ATOM   1313 C  C    . ASP A 1 89  ? 34.58700 12.32300 -15.16500 1.000 147.81072 ? 408 ASP A C    1 
ATOM   1314 O  O    . ASP A 1 89  ? 33.97500 12.74300 -16.14400 1.000 145.23501 ? 408 ASP A O    1 
ATOM   1315 C  CB   . ASP A 1 89  ? 34.74100 14.19700 -13.51100 1.000 149.54577 ? 408 ASP A CB   1 
ATOM   1316 C  CG   . ASP A 1 89  ? 34.14900 14.92000 -12.31400 1.000 143.33904 ? 408 ASP A CG   1 
ATOM   1317 O  OD1  . ASP A 1 89  ? 33.24600 14.35300 -11.66200 1.000 141.40530 ? 408 ASP A OD1  1 
ATOM   1318 O  OD2  . ASP A 1 89  ? 34.59000 16.05200 -12.02800 1.000 135.77302 ? 408 ASP A OD2  1 
ATOM   1319 H  H    . ASP A 1 89  ? 35.12300 12.22400 -12.12200 1.000 182.09985 ? 408 ASP A H    1 
ATOM   1320 H  HA   . ASP A 1 89  ? 33.21600 12.79300 -13.72500 1.000 184.11195 ? 408 ASP A HA   1 
ATOM   1321 H  HB2  . ASP A 1 89  ? 35.70200 14.13500 -13.39100 1.000 179.64276 ? 408 ASP A HB2  1 
ATOM   1322 H  HB3  . ASP A 1 89  ? 34.58800 14.73500 -14.30400 1.000 179.64276 ? 408 ASP A HB3  1 
ATOM   1323 N  N    . MET A 1 90  ? 35.61400 11.46400 -15.24800 1.000 154.56708 ? 409 MET A N    1 
ATOM   1324 C  CA   . MET A 1 90  ? 36.02200 10.84500 -16.49900 1.000 148.01214 ? 409 MET A CA   1 
ATOM   1325 C  C    . MET A 1 90  ? 35.22500 9.58300  -16.83700 1.000 149.10358 ? 409 MET A C    1 
ATOM   1326 O  O    . MET A 1 90  ? 35.48800 8.94100  -17.85200 1.000 148.57218 ? 409 MET A O    1 
ATOM   1327 C  CB   . MET A 1 90  ? 37.51200 10.47600 -16.43200 1.000 151.70910 ? 409 MET A CB   1 
ATOM   1328 C  CG   . MET A 1 90  ? 38.42300 11.67000 -16.38400 1.000 155.76525 ? 409 MET A CG   1 
ATOM   1329 S  SD   . MET A 1 90  ? 40.12400 11.24500 -16.82600 1.000 165.24578 ? 409 MET A SD   1 
ATOM   1330 C  CE   . MET A 1 90  ? 40.05000 11.39400 -18.58500 1.000 156.42624 ? 409 MET A CE   1 
ATOM   1331 H  H    . MET A 1 90  ? 36.09000 11.22900 -14.57200 1.000 185.66833 ? 409 MET A H    1 
ATOM   1332 H  HA   . MET A 1 90  ? 35.85000 11.49700 -17.19600 1.000 177.80241 ? 409 MET A HA   1 
ATOM   1333 H  HB2  . MET A 1 90  ? 37.66700 9.92800  -15.64700 1.000 182.23876 ? 409 MET A HB2  1 
ATOM   1334 H  HB3  . MET A 1 90  ? 37.73900 9.93600  -17.20500 1.000 182.23876 ? 409 MET A HB3  1 
ATOM   1335 H  HG2  . MET A 1 90  ? 38.09300 12.35200 -16.99000 1.000 187.10614 ? 409 MET A HG2  1 
ATOM   1336 H  HG3  . MET A 1 90  ? 38.40700 12.05200 -15.49200 1.000 187.10614 ? 409 MET A HG3  1 
ATOM   1337 H  HE1  . MET A 1 90  ? 40.91900 11.18800 -18.96400 1.000 187.89933 ? 409 MET A HE1  1 
ATOM   1338 H  HE2  . MET A 1 90  ? 39.39000 10.77500 -18.93500 1.000 187.89933 ? 409 MET A HE2  1 
ATOM   1339 H  HE3  . MET A 1 90  ? 39.80000 12.30100 -18.82300 1.000 187.89933 ? 409 MET A HE3  1 
ATOM   1340 N  N    . GLY A 1 91  ? 34.25700 9.23000  -15.98200 1.000 152.16505 ? 410 GLY A N    1 
ATOM   1341 C  CA   . GLY A 1 91  ? 33.46700 8.02500  -16.16600 1.000 150.55263 ? 410 GLY A CA   1 
ATOM   1342 C  C    . GLY A 1 91  ? 34.26700 6.75200  -15.90100 1.000 148.03902 ? 410 GLY A C    1 
ATOM   1343 O  O    . GLY A 1 91  ? 34.20700 5.80500  -16.68200 1.000 147.29624 ? 410 GLY A O    1 
ATOM   1344 H  H    . GLY A 1 91  ? 34.04700 9.68600  -15.28400 1.000 182.78590 ? 410 GLY A H    1 
ATOM   1345 H  HA2  . GLY A 1 91  ? 32.70100 8.05100  -15.57200 1.000 180.85100 ? 410 GLY A HA2  1 
ATOM   1346 H  HA3  . GLY A 1 91  ? 33.12200 8.00400  -17.07200 1.000 180.85100 ? 410 GLY A HA3  1 
ATOM   1347 N  N    . VAL A 1 92  ? 35.06400 6.78000  -14.82700 1.000 151.77104 ? 411 VAL A N    1 
ATOM   1348 C  CA   . VAL A 1 92  ? 35.92200 5.61000  -14.47300 1.000 140.75805 ? 411 VAL A CA   1 
ATOM   1349 C  C    . VAL A 1 92  ? 35.69500 5.27700  -12.99600 1.000 140.18256 ? 411 VAL A C    1 
ATOM   1350 O  O    . VAL A 1 92  ? 36.14300 6.05700  -12.13800 1.000 148.51164 ? 411 VAL A O    1 
ATOM   1351 C  CB   . VAL A 1 92  ? 37.41100 5.90000  -14.73900 1.000 138.37511 ? 411 VAL A CB   1 
ATOM   1352 C  CG1  . VAL A 1 92  ? 38.27200 4.66700  -14.51500 1.000 130.12755 ? 411 VAL A CG1  1 
ATOM   1353 C  CG2  . VAL A 1 92  ? 37.65100 6.48000  -16.12500 1.000 136.76074 ? 411 VAL A CG2  1 
ATOM   1354 H  H    . VAL A 1 92  ? 35.13100 7.44900  -14.29100 1.000 182.31309 ? 411 VAL A H    1 
ATOM   1355 H  HA   . VAL A 1 92  ? 35.67700 4.85400  -15.02900 1.000 169.09750 ? 411 VAL A HA   1 
ATOM   1356 H  HB   . VAL A 1 92  ? 37.67600 6.57400  -14.09400 1.000 166.23797 ? 411 VAL A HB   1 
ATOM   1357 H  HG11 . VAL A 1 92  ? 39.20100 4.88400  -14.69100 1.000 156.34089 ? 411 VAL A HG11 1 
ATOM   1358 H  HG12 . VAL A 1 92  ? 38.17800 4.36900  -13.59700 1.000 156.34089 ? 411 VAL A HG12 1 
ATOM   1359 H  HG13 . VAL A 1 92  ? 37.98700 3.96000  -15.11400 1.000 156.34089 ? 411 VAL A HG13 1 
ATOM   1360 H  HG21 . VAL A 1 92  ? 38.59900 6.64600  -16.24700 1.000 164.30073 ? 411 VAL A HG21 1 
ATOM   1361 H  HG22 . VAL A 1 92  ? 37.34400 5.85100  -16.79700 1.000 164.30073 ? 411 VAL A HG22 1 
ATOM   1362 H  HG23 . VAL A 1 92  ? 37.16300 7.31300  -16.21600 1.000 164.30073 ? 411 VAL A HG23 1 
ATOM   1363 N  N    . PRO A 1 93  ? 35.03200 4.15100  -12.66000 1.000 136.13923 ? 412 PRO A N    1 
ATOM   1364 C  CA   . PRO A 1 93  ? 34.84900 3.75700  -11.26400 1.000 122.80800 ? 412 PRO A CA   1 
ATOM   1365 C  C    . PRO A 1 93  ? 36.13100 3.93800  -10.44300 1.000 109.29882 ? 412 PRO A C    1 
ATOM   1366 O  O    . PRO A 1 93  ? 37.12900 3.34400  -10.80700 1.000 108.17262 ? 412 PRO A O    1 
ATOM   1367 C  CB   . PRO A 1 93  ? 34.50700 2.26700  -11.38600 1.000 131.61599 ? 412 PRO A CB   1 
ATOM   1368 C  CG   . PRO A 1 93  ? 33.76200 2.17800  -12.70000 1.000 139.72847 ? 412 PRO A CG   1 
ATOM   1369 C  CD   . PRO A 1 93  ? 34.42500 3.20400  -13.59800 1.000 139.76970 ? 412 PRO A CD   1 
ATOM   1370 H  HA   . PRO A 1 93  ? 34.17700 4.28900  -10.81000 1.000 147.55744 ? 412 PRO A HA   1 
ATOM   1371 H  HB2  . PRO A 1 93  ? 35.30600 1.71700  -11.39100 1.000 158.12702 ? 412 PRO A HB2  1 
ATOM   1372 H  HB3  . PRO A 1 93  ? 33.95900 1.96500  -10.64400 1.000 158.12702 ? 412 PRO A HB3  1 
ATOM   1373 H  HG2  . PRO A 1 93  ? 33.82400 1.28700  -13.07900 1.000 167.86201 ? 412 PRO A HG2  1 
ATOM   1374 H  HG3  . PRO A 1 93  ? 32.81900 2.37100  -12.58300 1.000 167.86201 ? 412 PRO A HG3  1 
ATOM   1375 H  HD2  . PRO A 1 93  ? 35.09100 2.79600  -14.17300 1.000 167.91148 ? 412 PRO A HD2  1 
ATOM   1376 H  HD3  . PRO A 1 93  ? 33.78000 3.64000  -14.17700 1.000 167.91148 ? 412 PRO A HD3  1 
ATOM   1377 N  N    . THR A 1 94  ? 36.08500 4.76800  -9.39700  1.000 105.18164 ? 413 THR A N    1 
ATOM   1378 C  CA   . THR A 1 94  ? 37.21900 4.95600  -8.51200  1.000 92.22305  ? 413 THR A CA   1 
ATOM   1379 C  C    . THR A 1 94  ? 36.75400 4.59500  -7.10800  1.000 90.63164  ? 413 THR A C    1 
ATOM   1380 O  O    . THR A 1 94  ? 35.57600 4.73800  -6.79600  1.000 90.66144  ? 413 THR A O    1 
ATOM   1381 C  CB   . THR A 1 94  ? 37.75500 6.37300  -8.63700  1.000 99.15229  ? 413 THR A CB   1 
ATOM   1382 O  OG1  . THR A 1 94  ? 38.13300 6.58500  -9.99900  1.000 111.27351 ? 413 THR A OG1  1 
ATOM   1383 C  CG2  . THR A 1 94  ? 38.94400 6.62900  -7.72500  1.000 110.34164 ? 413 THR A CG2  1 
ATOM   1384 H  H    . THR A 1 94  ? 35.39300 5.23400  -9.18700  1.000 126.40580 ? 413 THR A H    1 
ATOM   1385 H  HA   . THR A 1 94  ? 37.96500 4.38200  -8.74600  1.000 110.85549 ? 413 THR A HA   1 
ATOM   1386 H  HB   . THR A 1 94  ? 37.05800 6.99100  -8.36500  1.000 119.17058 ? 413 THR A HB   1 
ATOM   1387 H  HG1  . THR A 1 94  ? 37.45300 6.53300  -10.49000 1.000 133.71605 ? 413 THR A HG1  1 
ATOM   1388 H  HG21 . THR A 1 94  ? 39.24900 7.54200  -7.84000  1.000 132.59780 ? 413 THR A HG21 1 
ATOM   1389 H  HG22 . THR A 1 94  ? 38.68000 6.49100  -6.80200  1.000 132.59780 ? 413 THR A HG22 1 
ATOM   1390 H  HG23 . THR A 1 94  ? 39.66200 6.01800  -7.95000  1.000 132.59780 ? 413 THR A HG23 1 
ATOM   1391 N  N    . LEU A 1 95  ? 37.68600 4.09500  -6.29100  1.000 76.31773  ? 414 LEU A N    1 
ATOM   1392 C  CA   . LEU A 1 95  ? 37.40600 3.75300  -4.90800  1.000 66.38471  ? 414 LEU A CA   1 
ATOM   1393 C  C    . LEU A 1 95  ? 37.80200 4.91200  -4.00100  1.000 61.40164  ? 414 LEU A C    1 
ATOM   1394 O  O    . LEU A 1 95  ? 38.91000 5.43200  -4.10500  1.000 65.36164  ? 414 LEU A O    1 
ATOM   1395 C  CB   . LEU A 1 95  ? 38.18500 2.50900  -4.50400  1.000 56.95738  ? 414 LEU A CB   1 
ATOM   1396 C  CG   . LEU A 1 95  ? 37.96400 2.04400  -3.07300  1.000 64.70252  ? 414 LEU A CG   1 
ATOM   1397 C  CD1  . LEU A 1 95  ? 36.66100 1.28700  -2.94600  1.000 66.26437  ? 414 LEU A CD1  1 
ATOM   1398 C  CD2  . LEU A 1 95  ? 39.12100 1.20300  -2.59800  1.000 66.62084  ? 414 LEU A CD2  1 
ATOM   1399 H  H    . LEU A 1 95  ? 38.49800 3.94700  -6.53100  1.000 91.76912  ? 414 LEU A H    1 
ATOM   1400 H  HA   . LEU A 1 95  ? 36.45600 3.57700  -4.81700  1.000 79.84950  ? 414 LEU A HA   1 
ATOM   1401 H  HB2  . LEU A 1 95  ? 37.94600 1.78600  -5.10500  1.000 68.53670  ? 414 LEU A HB2  1 
ATOM   1402 H  HB3  . LEU A 1 95  ? 39.13100 2.68200  -4.63000  1.000 68.53670  ? 414 LEU A HB3  1 
ATOM   1403 H  HG   . LEU A 1 95  ? 37.91000 2.83000  -2.50700  1.000 77.83086  ? 414 LEU A HG   1 
ATOM   1404 H  HD11 . LEU A 1 95  ? 36.54100 1.00100  -2.02700  1.000 79.70509  ? 414 LEU A HD11 1 
ATOM   1405 H  HD12 . LEU A 1 95  ? 35.92500 1.86400  -3.20300  1.000 79.70509  ? 414 LEU A HD12 1 
ATOM   1406 H  HD13 . LEU A 1 95  ? 36.68000 0.51000  -3.52600  1.000 79.70509  ? 414 LEU A HD13 1 
ATOM   1407 H  HD21 . LEU A 1 95  ? 38.96000 0.91700  -1.68500  1.000 80.13285  ? 414 LEU A HD21 1 
ATOM   1408 H  HD22 . LEU A 1 95  ? 39.21100 0.42400  -3.16900  1.000 80.13285  ? 414 LEU A HD22 1 
ATOM   1409 H  HD23 . LEU A 1 95  ? 39.93700 1.72600  -2.63400  1.000 80.13285  ? 414 LEU A HD23 1 
ATOM   1410 N  N    . LYS A 1 96  ? 36.88300 5.30800  -3.11600  1.000 65.14815  ? 415 LYS A N    1 
ATOM   1411 C  CA   . LYS A 1 96  ? 37.19900 6.25500  -2.06000  1.000 65.61080  ? 415 LYS A CA   1 
ATOM   1412 C  C    . LYS A 1 96  ? 37.29600 5.45500  -0.76300  1.000 55.84517  ? 415 LYS A C    1 
ATOM   1413 O  O    . LYS A 1 96  ? 36.27900 5.08400  -0.18000  1.000 58.92114  ? 415 LYS A O    1 
ATOM   1414 C  CB   . LYS A 1 96  ? 36.14500 7.37500  -1.99700  1.000 59.32164  ? 415 LYS A CB   1 
ATOM   1415 C  CG   . LYS A 1 96  ? 36.37400 8.39100  -0.89000  1.000 54.52896  ? 415 LYS A CG   1 
ATOM   1416 C  CD   . LYS A 1 96  ? 37.77500 8.97400  -0.88700  1.000 51.23855  ? 415 LYS A CD   1 
ATOM   1417 C  CE   . LYS A 1 96  ? 38.02800 9.80600  0.33700   1.000 59.05700  ? 415 LYS A CE   1 
ATOM   1418 N  NZ   . LYS A 1 96  ? 39.46700 10.11400 0.48500   1.000 70.93228  ? 415 LYS A NZ   1 
ATOM   1419 H  H    . LYS A 1 96  ? 36.06800 5.03400  -3.11600  1.000 78.36562  ? 415 LYS A H    1 
ATOM   1420 H  HA   . LYS A 1 96  ? 38.04200 6.70500  -2.22500  1.000 78.92080  ? 415 LYS A HA   1 
ATOM   1421 H  HB2  . LYS A 1 96  ? 36.13000 7.83900  -2.84900  1.000 71.37380  ? 415 LYS A HB2  1 
ATOM   1422 H  HB3  . LYS A 1 96  ? 35.27000 6.97400  -1.87700  1.000 71.37380  ? 415 LYS A HB3  1 
ATOM   1423 H  HG2  . LYS A 1 96  ? 35.73100 9.11200  -0.98400  1.000 65.62259  ? 415 LYS A HG2  1 
ATOM   1424 H  HG3  . LYS A 1 96  ? 36.20500 7.96900  -0.03300  1.000 65.62259  ? 415 LYS A HG3  1 
ATOM   1425 H  HD2  . LYS A 1 96  ? 38.42500 8.25500  -0.93000  1.000 61.67410  ? 415 LYS A HD2  1 
ATOM   1426 H  HD3  . LYS A 1 96  ? 37.90100 9.51800  -1.68000  1.000 61.67410  ? 415 LYS A HD3  1 
ATOM   1427 H  HE2  . LYS A 1 96  ? 37.52200 10.63200 0.28000   1.000 71.05623  ? 415 LYS A HE2  1 
ATOM   1428 H  HE3  . LYS A 1 96  ? 37.71300 9.33300  1.12300   1.000 71.05623  ? 415 LYS A HE3  1 
ATOM   1429 H  HZ1  . LYS A 1 96  ? 39.56200 10.90500 0.88200   1.000 85.30658  ? 415 LYS A HZ1  1 
ATOM   1430 H  HZ2  . LYS A 1 96  ? 39.85600 9.48500  0.98000   1.000 85.30658  ? 415 LYS A HZ2  1 
ATOM   1431 H  HZ3  . LYS A 1 96  ? 39.85000 10.13800 -0.31800  1.000 85.30658  ? 415 LYS A HZ3  1 
ATOM   1432 N  N    . TYR A 1 97  ? 38.53000 5.17300  -0.33200  1.000 46.83682  ? 416 TYR A N    1 
ATOM   1433 C  CA   . TYR A 1 97  ? 38.75400 4.13500  0.65800   1.000 54.92938  ? 416 TYR A CA   1 
ATOM   1434 C  C    . TYR A 1 97  ? 38.19400 4.55400  2.01000   1.000 46.09104  ? 416 TYR A C    1 
ATOM   1435 O  O    . TYR A 1 97  ? 37.43300 3.80100  2.60900   1.000 53.41164  ? 416 TYR A O    1 
ATOM   1436 C  CB   . TYR A 1 97  ? 40.23900 3.76400  0.75500   1.000 60.97384  ? 416 TYR A CB   1 
ATOM   1437 C  CG   . TYR A 1 97  ? 40.52400 2.57800  1.65400   1.000 53.82904  ? 416 TYR A CG   1 
ATOM   1438 C  CD1  . TYR A 1 97  ? 39.77500 1.40900  1.56200   1.000 50.89164  ? 416 TYR A CD1  1 
ATOM   1439 C  CD2  . TYR A 1 97  ? 41.55600 2.61300  2.57500   1.000 54.07164  ? 416 TYR A CD2  1 
ATOM   1440 C  CE1  . TYR A 1 97  ? 40.03700 0.31600  2.38000   1.000 49.05657  ? 416 TYR A CE1  1 
ATOM   1441 C  CE2  . TYR A 1 97  ? 41.82800 1.52800  3.39600   1.000 58.62164  ? 416 TYR A CE2  1 
ATOM   1442 C  CZ   . TYR A 1 97  ? 41.06400 0.38100  3.30000   1.000 54.33770  ? 416 TYR A CZ   1 
ATOM   1443 O  OH   . TYR A 1 97  ? 41.33700 -0.68500 4.12400   1.000 60.39164  ? 416 TYR A OH   1 
ATOM   1444 H  H    . TYR A 1 97  ? 39.24200 5.57300  -0.60300  1.000 56.39202  ? 416 TYR A H    1 
ATOM   1445 H  HA   . TYR A 1 97  ? 38.28000 3.33900  0.37100   1.000 66.10310  ? 416 TYR A HA   1 
ATOM   1446 H  HB2  . TYR A 1 97  ? 40.57300 3.57000  -0.13500  1.000 73.35644  ? 416 TYR A HB2  1 
ATOM   1447 H  HB3  . TYR A 1 97  ? 40.73300 4.53200  1.08200   1.000 73.35644  ? 416 TYR A HB3  1 
ATOM   1448 H  HD1  . TYR A 1 97  ? 39.08500 1.35800  0.94100   1.000 61.25780  ? 416 TYR A HD1  1 
ATOM   1449 H  HD2  . TYR A 1 97  ? 42.07800 3.37900  2.64500   1.000 65.07380  ? 416 TYR A HD2  1 
ATOM   1450 H  HE1  . TYR A 1 97  ? 39.52300 -0.45500 2.30800   1.000 59.05573  ? 416 TYR A HE1  1 
ATOM   1451 H  HE2  . TYR A 1 97  ? 42.52400 1.57300  4.01100   1.000 70.53380  ? 416 TYR A HE2  1 
ATOM   1452 H  HH   . TYR A 1 97  ? 41.55100 -0.40300 4.88600   1.000 72.65780  ? 416 TYR A HH   1 
ATOM   1453 N  N    . HIS A 1 98  ? 38.55300 5.76100  2.46200   1.000 51.65311  ? 417 HIS A N    1 
ATOM   1454 C  CA   . HIS A 1 98  ? 37.98000 6.33500  3.67200   1.000 56.75333  ? 417 HIS A CA   1 
ATOM   1455 C  C    . HIS A 1 98  ? 37.13000 7.55300  3.31700   1.000 45.29002  ? 417 HIS A C    1 
ATOM   1456 O  O    . HIS A 1 98  ? 37.61900 8.68100  3.33400   1.000 47.15321  ? 417 HIS A O    1 
ATOM   1457 C  CB   . HIS A 1 98  ? 39.08100 6.73000  4.67600   1.000 60.47926  ? 417 HIS A CB   1 
ATOM   1458 C  CG   . HIS A 1 98  ? 39.84800 5.58000  5.25400   1.000 60.32648  ? 417 HIS A CG   1 
ATOM   1459 N  ND1  . HIS A 1 98  ? 39.24600 4.66700  6.10100   1.000 65.87847  ? 417 HIS A ND1  1 
ATOM   1460 C  CD2  . HIS A 1 98  ? 41.14000 5.23000  5.08900   1.000 53.40878  ? 417 HIS A CD2  1 
ATOM   1461 C  CE1  . HIS A 1 98  ? 40.18400 3.79300  6.42500   1.000 71.53900  ? 417 HIS A CE1  1 
ATOM   1462 N  NE2  . HIS A 1 98  ? 41.34500 4.09600  5.83500   1.000 62.82632  ? 417 HIS A NE2  1 
ATOM   1463 H  H    . HIS A 1 98  ? 39.13300 6.26300  2.07400   1.000 62.17157  ? 417 HIS A H    1 
ATOM   1464 H  HA   . HIS A 1 98  ? 37.41900 5.66400  4.09100   1.000 68.29183  ? 417 HIS A HA   1 
ATOM   1465 H  HB2  . HIS A 1 98  ? 39.70400 7.32800  4.23400   1.000 72.76295  ? 417 HIS A HB2  1 
ATOM   1466 H  HB3  . HIS A 1 98  ? 38.67500 7.22900  5.40200   1.000 72.76295  ? 417 HIS A HB3  1 
ATOM   1467 H  HD1  . HIS A 1 98  ? 38.42700 4.66800  6.36400   1.000 79.24200  ? 417 HIS A HD1  1 
ATOM   1468 H  HD2  . HIS A 1 98  ? 41.77200 5.67200  4.56900   1.000 64.27837  ? 417 HIS A HD2  1 
ATOM   1469 H  HE1  . HIS A 1 98  ? 40.05400 3.06500  6.98800   1.000 86.03464  ? 417 HIS A HE1  1 
ATOM   1470 N  N    . TYR A 1 99  ? 35.85000 7.32100  3.00600   1.000 42.05147  ? 418 TYR A N    1 
ATOM   1471 C  CA   . TYR A 1 99  ? 34.90600 8.40900  2.80300   1.000 52.82399  ? 418 TYR A CA   1 
ATOM   1472 C  C    . TYR A 1 99  ? 34.39600 8.86900  4.17000   1.000 45.99239  ? 418 TYR A C    1 
ATOM   1473 O  O    . TYR A 1 99  ? 33.48900 8.26900  4.74000   1.000 50.23164  ? 418 TYR A O    1 
ATOM   1474 C  CB   . TYR A 1 99  ? 33.75900 7.98200  1.85400   1.000 48.01029  ? 418 TYR A CB   1 
ATOM   1475 C  CG   . TYR A 1 99  ? 32.94900 9.13800  1.30000   1.000 52.61057  ? 418 TYR A CG   1 
ATOM   1476 C  CD1  . TYR A 1 99  ? 33.57200 10.23700 0.72300   1.000 60.88107  ? 418 TYR A CD1  1 
ATOM   1477 C  CD2  . TYR A 1 99  ? 31.56000 9.12300  1.33500   1.000 59.29442  ? 418 TYR A CD2  1 
ATOM   1478 C  CE1  . TYR A 1 99  ? 32.83500 11.30200 0.21500   1.000 69.63780  ? 418 TYR A CE1  1 
ATOM   1479 C  CE2  . TYR A 1 99  ? 30.81100 10.18000 0.82700   1.000 66.57996  ? 418 TYR A CE2  1 
ATOM   1480 C  CZ   . TYR A 1 99  ? 31.45300 11.26900 0.26700   1.000 75.67801  ? 418 TYR A CZ   1 
ATOM   1481 O  OH   . TYR A 1 99  ? 30.72900 12.31900 -0.24400  1.000 85.50378  ? 418 TYR A OH   1 
ATOM   1482 H  H    . TYR A 1 99  ? 35.51400 6.53500  2.90900   1.000 50.64960  ? 418 TYR A H    1 
ATOM   1483 H  HA   . TYR A 1 99  ? 35.34500 9.15700  2.36800   1.000 63.57662  ? 418 TYR A HA   1 
ATOM   1484 H  HB2  . TYR A 1 99  ? 34.13500 7.48000  1.11400   1.000 57.80018  ? 418 TYR A HB2  1 
ATOM   1485 H  HB3  . TYR A 1 99  ? 33.16400 7.38200  2.33100   1.000 57.80018  ? 418 TYR A HB3  1 
ATOM   1486 H  HD1  . TYR A 1 99  ? 34.50000 10.26100 0.67500   1.000 73.24512  ? 418 TYR A HD1  1 
ATOM   1487 H  HD2  . TYR A 1 99  ? 31.12200 8.39100  1.70600   1.000 71.34115  ? 418 TYR A HD2  1 
ATOM   1488 H  HE1  . TYR A 1 99  ? 33.27000 12.03400 -0.15900  1.000 83.75319  ? 418 TYR A HE1  1 
ATOM   1489 H  HE2  . TYR A 1 99  ? 29.88200 10.15400 0.86400   1.000 80.08380  ? 418 TYR A HE2  1 
ATOM   1490 H  HH   . TYR A 1 99  ? 30.04800 12.02500 -0.63700  1.000 102.79238 ? 418 TYR A HH   1 
ATOM   1491 N  N    . GLU A 1 100 ? 34.99700 9.94500  4.68900   1.000 44.26401  ? 419 GLU A N    1 
ATOM   1492 C  CA   . GLU A 1 100 ? 34.83700 10.32100 6.08300   1.000 46.79141  ? 419 GLU A CA   1 
ATOM   1493 C  C    . GLU A 1 100 ? 33.42700 10.78200 6.44900   1.000 43.79792  ? 419 GLU A C    1 
ATOM   1494 O  O    . GLU A 1 100 ? 32.69500 11.29100 5.61000   1.000 45.36958  ? 419 GLU A O    1 
ATOM   1495 C  CB   . GLU A 1 100 ? 35.86200 11.41300 6.43500   1.000 53.72164  ? 419 GLU A CB   1 
ATOM   1496 C  CG   . GLU A 1 100 ? 37.29900 10.90500 6.46300   1.000 65.21022  ? 419 GLU A CG   1 
ATOM   1497 C  CD   . GLU A 1 100 ? 37.65600 9.98200  7.62200   1.000 83.19323  ? 419 GLU A CD   1 
ATOM   1498 O  OE1  . GLU A 1 100 ? 36.96200 10.02100 8.66700   1.000 89.83164  ? 419 GLU A OE1  1 
ATOM   1499 O  OE2  . GLU A 1 100 ? 38.62300 9.19800  7.47400   1.000 79.08086  ? 419 GLU A OE2  1 
ATOM   1500 H  H    . GLU A 1 100 ? 35.50600 10.47100 4.23800   1.000 53.30465  ? 419 GLU A H    1 
ATOM   1501 H  HA   . GLU A 1 100 ? 34.99300 9.51900  6.60600   1.000 56.33753  ? 419 GLU A HA   1 
ATOM   1502 H  HB2  . GLU A 1 100 ? 35.79300 12.13300 5.78900   1.000 64.65380  ? 419 GLU A HB2  1 
ATOM   1503 H  HB3  . GLU A 1 100 ? 35.64100 11.78800 7.30200   1.000 64.65380  ? 419 GLU A HB3  1 
ATOM   1504 H  HG2  . GLU A 1 100 ? 37.47400 10.43500 5.63200   1.000 78.44010  ? 419 GLU A HG2  1 
ATOM   1505 H  HG3  . GLU A 1 100 ? 37.89400 11.67100 6.48700   1.000 78.44010  ? 419 GLU A HG3  1 
ATOM   1506 N  N    . GLY A 1 101 ? 33.05200 10.55400 7.71300   1.000 45.68491  ? 420 GLY A N    1 
ATOM   1507 C  CA   . GLY A 1 101 ? 31.90100 11.19500 8.32700   1.000 43.16657  ? 420 GLY A CA   1 
ATOM   1508 C  C    . GLY A 1 101 ? 30.55100 10.53400 8.07200   1.000 37.33466  ? 420 GLY A C    1 
ATOM   1509 O  O    . GLY A 1 101 ? 29.51400 11.15000 8.31000   1.000 42.46132  ? 420 GLY A O    1 
ATOM   1510 H  H    . GLY A 1 101 ? 33.46900 10.01500 8.23800   1.000 55.00973  ? 420 GLY A H    1 
ATOM   1511 H  HA2  . GLY A 1 101 ? 32.04700 11.23200 9.28500   1.000 51.98772  ? 420 GLY A HA2  1 
ATOM   1512 H  HA3  . GLY A 1 101 ? 31.85700 12.11100 8.01100   1.000 51.98772  ? 420 GLY A HA3  1 
ATOM   1513 N  N    . MET A 1 102 ? 30.56700 9.27500  7.62900   1.000 35.50994  ? 421 MET A N    1 
ATOM   1514 C  CA   . MET A 1 102 ? 29.37900 8.65200  7.07000   1.000 30.90164  ? 421 MET A CA   1 
ATOM   1515 C  C    . MET A 1 102 ? 28.60000 7.78200  8.05300   1.000 23.73164  ? 421 MET A C    1 
ATOM   1516 O  O    . MET A 1 102 ? 27.42500 7.50400  7.83100   1.000 38.94190  ? 421 MET A O    1 
ATOM   1517 C  CB   . MET A 1 102 ? 29.79700 7.80200  5.87000   1.000 39.37455  ? 421 MET A CB   1 
ATOM   1518 C  CG   . MET A 1 102 ? 30.13400 8.62500  4.66400   1.000 39.32644  ? 421 MET A CG   1 
ATOM   1519 S  SD   . MET A 1 102 ? 28.68700 9.31800  3.83200   1.000 48.61571  ? 421 MET A SD   1 
ATOM   1520 C  CE   . MET A 1 102 ? 27.90400 7.83500  3.22900   1.000 51.88164  ? 421 MET A CE   1 
ATOM   1521 H  H    . MET A 1 102 ? 31.26100 8.76800  7.64600   1.000 42.79977  ? 421 MET A H    1 
ATOM   1522 H  HA   . MET A 1 102 ? 28.78000 9.37200  6.81800   1.000 37.26980  ? 421 MET A HA   1 
ATOM   1523 H  HB2  . MET A 1 102 ? 30.56600 7.26300  6.11300   1.000 47.43729  ? 421 MET A HB2  1 
ATOM   1524 H  HB3  . MET A 1 102 ? 29.07900 7.18900  5.64800   1.000 47.43729  ? 421 MET A HB3  1 
ATOM   1525 H  HG2  . MET A 1 102 ? 30.72200 9.34900  4.93000   1.000 47.37956  ? 421 MET A HG2  1 
ATOM   1526 H  HG3  . MET A 1 102 ? 30.62700 8.07600  4.03500   1.000 47.37956  ? 421 MET A HG3  1 
ATOM   1527 H  HE1  . MET A 1 102 ? 27.09300 8.06900  2.75000   1.000 62.44580  ? 421 MET A HE1  1 
ATOM   1528 H  HE2  . MET A 1 102 ? 28.50900 7.36900  2.63100   1.000 62.44580  ? 421 MET A HE2  1 
ATOM   1529 H  HE3  . MET A 1 102 ? 27.68200 7.25900  3.97700   1.000 62.44580  ? 421 MET A HE3  1 
ATOM   1530 N  N    . SER A 1 103 ? 29.27500 7.29700  9.09000   1.000 43.32428  ? 422 SER A N    1 
ATOM   1531 C  CA   . SER A 1 103 ? 28.64500 6.35600  10.04800  1.000 46.81164  ? 422 SER A CA   1 
ATOM   1532 C  C    . SER A 1 103 ? 28.87700 6.82100  11.48200  1.000 43.88164  ? 422 SER A C    1 
ATOM   1533 O  O    . SER A 1 103 ? 29.88100 7.47300  11.72200  1.000 59.04164  ? 422 SER A O    1 
ATOM   1534 C  CB   . SER A 1 103 ? 29.17500 4.96600  9.85000   1.000 50.40164  ? 422 SER A CB   1 
ATOM   1535 O  OG   . SER A 1 103 ? 28.80900 4.46000  8.57900   1.000 94.44164  ? 422 SER A OG   1 
ATOM   1536 H  H    . SER A 1 103 ? 30.09400 7.49200  9.26600   1.000 52.17697  ? 422 SER A H    1 
ATOM   1537 H  HA   . SER A 1 103 ? 27.69000 6.34300  9.88100   1.000 56.36180  ? 422 SER A HA   1 
ATOM   1538 H  HB2  . SER A 1 103 ? 30.14100 4.97000  9.93500   1.000 60.66980  ? 422 SER A HB2  1 
ATOM   1539 H  HB3  . SER A 1 103 ? 28.83200 4.38300  10.54500  1.000 60.66980  ? 422 SER A HB3  1 
ATOM   1540 H  HG   . SER A 1 103 ? 28.24300 3.84700  8.67400   1.000 113.51780 ? 422 SER A HG   1 
ATOM   1541 N  N    . VAL A 1 104 ? 27.97500 6.46600  12.39000  1.000 35.07417  ? 423 VAL A N    1 
ATOM   1542 C  CA   . VAL A 1 104 ? 28.07900 6.88100  13.78200  1.000 39.02057  ? 423 VAL A CA   1 
ATOM   1543 C  C    . VAL A 1 104 ? 28.92600 5.93000  14.62500  1.000 37.19164  ? 423 VAL A C    1 
ATOM   1544 O  O    . VAL A 1 104 ? 28.70200 4.72100  14.62200  1.000 41.83164  ? 423 VAL A O    1 
ATOM   1545 C  CB   . VAL A 1 104 ? 26.70600 7.03500  14.44600  1.000 36.03763  ? 423 VAL A CB   1 
ATOM   1546 C  CG1  . VAL A 1 104 ? 26.85900 7.41500  15.90700  1.000 38.33427  ? 423 VAL A CG1  1 
ATOM   1547 C  CG2  . VAL A 1 104 ? 25.85000 8.05700  13.71600  1.000 39.43041  ? 423 VAL A CG2  1 
ATOM   1548 H  H    . VAL A 1 104 ? 27.28800 5.97900  12.21700  1.000 42.27684  ? 423 VAL A H    1 
ATOM   1549 H  HA   . VAL A 1 104 ? 28.52000 7.74400  13.75100  1.000 47.01252  ? 423 VAL A HA   1 
ATOM   1550 H  HB   . VAL A 1 104 ? 26.25400 6.17800  14.39500  1.000 43.43300  ? 423 VAL A HB   1 
ATOM   1551 H  HG11 . VAL A 1 104 ? 25.98200 7.50800  16.31100  1.000 46.18896  ? 423 VAL A HG11 1 
ATOM   1552 H  HG12 . VAL A 1 104 ? 27.35600 6.72400  16.37100  1.000 46.18896  ? 423 VAL A HG12 1 
ATOM   1553 H  HG13 . VAL A 1 104 ? 27.33700 8.25700  15.97400  1.000 46.18896  ? 423 VAL A HG13 1 
ATOM   1554 H  HG21 . VAL A 1 104 ? 24.99000 8.13300  14.15700  1.000 47.50433  ? 423 VAL A HG21 1 
ATOM   1555 H  HG22 . VAL A 1 104 ? 26.29500 8.91900  13.72600  1.000 47.50433  ? 423 VAL A HG22 1 
ATOM   1556 H  HG23 . VAL A 1 104 ? 25.71800 7.77200  12.79800  1.000 47.50433  ? 423 VAL A HG23 1 
ATOM   1557 N  N    . ALA A 1 105 ? 29.87600 6.50900  15.37100  1.000 44.04790  ? 424 ALA A N    1 
ATOM   1558 C  CA   . ALA A 1 105 ? 30.67300 5.77700  16.34500  1.000 50.74516  ? 424 ALA A CA   1 
ATOM   1559 C  C    . ALA A 1 105 ? 30.18200 6.00500  17.77900  1.000 40.32200  ? 424 ALA A C    1 
ATOM   1560 O  O    . ALA A 1 105 ? 30.08300 5.05600  18.55000  1.000 46.45164  ? 424 ALA A O    1 
ATOM   1561 C  CB   . ALA A 1 105 ? 32.13700 6.16600  16.20700  1.000 40.50095  ? 424 ALA A CB   1 
ATOM   1562 H  H    . ALA A 1 105 ? 30.07200 7.34500  15.32000  1.000 53.04532  ? 424 ALA A H    1 
ATOM   1563 H  HA   . ALA A 1 105 ? 30.57400 4.83000  16.16100  1.000 61.08203  ? 424 ALA A HA   1 
ATOM   1564 H  HB1  . ALA A 1 105 ? 32.66500 5.67700  16.85700  1.000 48.78898  ? 424 ALA A HB1  1 
ATOM   1565 H  HB2  . ALA A 1 105 ? 32.44600 5.95200  15.31300  1.000 48.78898  ? 424 ALA A HB2  1 
ATOM   1566 H  HB3  . ALA A 1 105 ? 32.23500 7.11800  16.36300  1.000 48.78898  ? 424 ALA A HB3  1 
ATOM   1567 N  N    . GLU A 1 106 ? 29.86100 7.26000  18.12700  1.000 42.57629  ? 425 GLU A N    1 
ATOM   1568 C  CA   . GLU A 1 106 ? 29.35200 7.60000  19.44600  1.000 45.51164  ? 425 GLU A CA   1 
ATOM   1569 C  C    . GLU A 1 106 ? 28.23700 8.64000  19.39900  1.000 37.20183  ? 425 GLU A C    1 
ATOM   1570 O  O    . GLU A 1 106 ? 28.28800 9.56500  18.59600  1.000 46.70686  ? 425 GLU A O    1 
ATOM   1571 C  CB   . GLU A 1 106 ? 30.46100 8.17900  20.32000  1.000 64.86525  ? 425 GLU A CB   1 
ATOM   1572 C  CG   . GLU A 1 106 ? 31.51100 7.19000  20.74800  1.000 94.14164  ? 425 GLU A CG   1 
ATOM   1573 C  CD   . GLU A 1 106 ? 32.47500 7.79400  21.74400  1.000 120.35331 ? 425 GLU A CD   1 
ATOM   1574 O  OE1  . GLU A 1 106 ? 33.10700 8.82000  21.40400  1.000 134.19164 ? 425 GLU A OE1  1 
ATOM   1575 O  OE2  . GLU A 1 106 ? 32.58400 7.25700  22.87000  1.000 150.15025 ? 425 GLU A OE2  1 
ATOM   1576 H  H    . GLU A 1 106 ? 29.93600 7.93300  17.59700  1.000 51.27939  ? 425 GLU A H    1 
ATOM   1577 H  HA   . GLU A 1 106 ? 29.00600 6.77100  19.81200  1.000 54.80180  ? 425 GLU A HA   1 
ATOM   1578 H  HB2  . GLU A 1 106 ? 30.89300 8.90000  19.83600  1.000 78.02614  ? 425 GLU A HB2  1 
ATOM   1579 H  HB3  . GLU A 1 106 ? 30.06000 8.56900  21.11300  1.000 78.02614  ? 425 GLU A HB3  1 
ATOM   1580 H  HG2  . GLU A 1 106 ? 31.08300 6.41300  21.14100  1.000 113.15780 ? 425 GLU A HG2  1 
ATOM   1581 H  HG3  . GLU A 1 106 ? 32.00100 6.88100  19.97000  1.000 113.15780 ? 425 GLU A HG3  1 
ATOM   1582 N  N    . CYS A 1 107 ? 27.26000 8.49200  20.30100  1.000 50.37810  ? 426 CYS A N    1 
ATOM   1583 C  CA   . CYS A 1 107 ? 26.21400 9.47700  20.51400  1.000 37.84164  ? 426 CYS A CA   1 
ATOM   1584 C  C    . CYS A 1 107 ? 26.48900 10.27300 21.78500  1.000 32.81330  ? 426 CYS A C    1 
ATOM   1585 O  O    . CYS A 1 107 ? 27.29900 9.86500  22.61200  1.000 58.32484  ? 426 CYS A O    1 
ATOM   1586 C  CB   . CYS A 1 107 ? 24.85400 8.79700  20.58700  1.000 50.12164  ? 426 CYS A CB   1 
ATOM   1587 S  SG   . CYS A 1 107 ? 24.41400 7.86600  19.10000  1.000 74.26458  ? 426 CYS A SG   1 
ATOM   1588 H  H    . CYS A 1 107 ? 27.19200 7.80300  20.81100  1.000 60.64156  ? 426 CYS A H    1 
ATOM   1589 H  HA   . CYS A 1 107 ? 26.20700 10.09200 19.76400  1.000 45.59780  ? 426 CYS A HA   1 
ATOM   1590 H  HB2  . CYS A 1 107 ? 24.84400 8.19600  21.34800  1.000 60.33380  ? 426 CYS A HB2  1 
ATOM   1591 H  HB3  . CYS A 1 107 ? 24.17500 9.47000  20.74800  1.000 60.33380  ? 426 CYS A HB3  1 
ATOM   1592 N  N    . GLY A 1 108 ? 25.77900 11.39400 21.94600  1.000 43.77738  ? 427 GLY A N    1 
ATOM   1593 C  CA   . GLY A 1 108 ? 25.86500 12.18800 23.16000  1.000 40.15349  ? 427 GLY A CA   1 
ATOM   1594 C  C    . GLY A 1 108 ? 24.87700 13.34900 23.18900  1.000 38.48140  ? 427 GLY A C    1 
ATOM   1595 O  O    . GLY A 1 108 ? 24.29200 13.68800 22.16900  1.000 49.31686  ? 427 GLY A O    1 
ATOM   1596 H  H    . GLY A 1 108 ? 25.23900 11.70800 21.35500  1.000 52.72069  ? 427 GLY A H    1 
ATOM   1597 H  HA2  . GLY A 1 108 ? 25.70500 11.61500 23.92600  1.000 48.37203  ? 427 GLY A HA2  1 
ATOM   1598 H  HA3  . GLY A 1 108 ? 26.76600 12.53500 23.24900  1.000 48.37203  ? 427 GLY A HA3  1 
ATOM   1599 N  N    . CYS A 1 109 ? 24.70000 13.95200 24.36700  1.000 49.45865  ? 428 CYS A N    1 
ATOM   1600 C  CA   . CYS A 1 109 ? 23.79900 15.08200 24.51200  1.000 47.77172  ? 428 CYS A CA   1 
ATOM   1601 C  C    . CYS A 1 109 ? 24.57100 16.38000 24.30100  1.000 41.74263  ? 428 CYS A C    1 
ATOM   1602 O  O    . CYS A 1 109 ? 25.62600 16.58600 24.89800  1.000 43.46607  ? 428 CYS A O    1 
ATOM   1603 C  CB   . CYS A 1 109 ? 23.08200 15.05400 25.86000  1.000 57.61164  ? 428 CYS A CB   1 
ATOM   1604 S  SG   . CYS A 1 109 ? 21.92800 13.66500 26.04900  1.000 68.97164  ? 428 CYS A SG   1 
ATOM   1605 H  H    . CYS A 1 109 ? 25.09600 13.71600 25.09300  1.000 59.53822  ? 428 CYS A H    1 
ATOM   1606 H  HA   . CYS A 1 109 ? 23.10800 15.02400 23.83400  1.000 57.51390  ? 428 CYS A HA   1 
ATOM   1607 H  HB2  . CYS A 1 109 ? 23.74400 15.01200 26.56800  1.000 69.32180  ? 428 CYS A HB2  1 
ATOM   1608 H  HB3  . CYS A 1 109 ? 22.59600 15.88500 25.97500  1.000 69.32180  ? 428 CYS A HB3  1 
ATOM   1609 N  N    . ARG A 1 110 ? 24.02700 17.24100 23.43400  1.000 38.24164  ? 429 ARG A N    1 
ATOM   1610 C  CA   . ARG A 1 110 ? 24.69400 18.46000 23.01400  1.000 42.21105  ? 429 ARG A CA   1 
ATOM   1611 C  C    . ARG A 1 110 ? 23.68300 19.60900 22.85900  1.000 68.39164  ? 429 ARG A C    1 
ATOM   1612 O  O    . ARG A 1 110 ? 23.95300 20.72300 23.30500  1.000 81.86164  ? 429 ARG A O    1 
ATOM   1613 C  CB   . ARG A 1 110 ? 25.44300 18.22600 21.68700  1.000 41.40919  ? 429 ARG A CB   1 
ATOM   1614 C  CG   . ARG A 1 110 ? 26.55900 17.19200 21.75500  1.000 34.21716  ? 429 ARG A CG   1 
ATOM   1615 C  CD   . ARG A 1 110 ? 27.74600 17.71000 22.52200  1.000 48.62199  ? 429 ARG A CD   1 
ATOM   1616 N  NE   . ARG A 1 110 ? 28.80400 16.71600 22.66400  1.000 44.25122  ? 429 ARG A NE   1 
ATOM   1617 C  CZ   . ARG A 1 110 ? 28.80000 15.72000 23.54100  1.000 39.96696  ? 429 ARG A CZ   1 
ATOM   1618 N  NH1  . ARG A 1 110 ? 27.79500 15.53900 24.38300  1.000 48.29005  ? 429 ARG A NH1  1 
ATOM   1619 N  NH2  . ARG A 1 110 ? 29.83600 14.88800 23.57700  1.000 42.79230  ? 429 ARG A NH2  1 
ATOM   1620 O  OXT  . ARG A 1 110 ? 22.60300 19.42500 22.29100  1.000 80.22164  ? 429 ARG A OXT  1 
ATOM   1621 H  H    . ARG A 1 110 ? 23.25400 17.12600 23.07500  1.000 46.07780  ? 429 ARG A H    1 
ATOM   1622 H  HA   . ARG A 1 110 ? 25.33600 18.70900 23.69800  1.000 50.84110  ? 429 ARG A HA   1 
ATOM   1623 H  HB2  . ARG A 1 110 ? 24.80200 17.94800 21.01400  1.000 49.87887  ? 429 ARG A HB2  1 
ATOM   1624 H  HB3  . ARG A 1 110 ? 25.81900 19.06900 21.39000  1.000 49.87887  ? 429 ARG A HB3  1 
ATOM   1625 H  HG2  . ARG A 1 110 ? 26.22700 16.38400 22.17700  1.000 41.24842  ? 429 ARG A HG2  1 
ATOM   1626 H  HG3  . ARG A 1 110 ? 26.83300 16.95100 20.85600  1.000 41.24842  ? 429 ARG A HG3  1 
ATOM   1627 H  HD2  . ARG A 1 110 ? 28.10100 18.49200 22.07100  1.000 58.53422  ? 429 ARG A HD2  1 
ATOM   1628 H  HD3  . ARG A 1 110 ? 27.45700 17.99700 23.40200  1.000 58.53422  ? 429 ARG A HD3  1 
ATOM   1629 H  HE   . ARG A 1 110 ? 29.48200 16.78000 22.13900  1.000 53.28930  ? 429 ARG A HE   1 
ATOM   1630 H  HH11 . ARG A 1 110 ? 27.12200 16.07400 24.37100  1.000 58.13590  ? 429 ARG A HH11 1 
ATOM   1631 H  HH12 . ARG A 1 110 ? 27.81500 14.88600 24.94200  1.000 58.13590  ? 429 ARG A HH12 1 
ATOM   1632 H  HH21 . ARG A 1 110 ? 30.49600 14.99900 23.03700  1.000 51.53860  ? 429 ARG A HH21 1 
ATOM   1633 H  HH22 . ARG A 1 110 ? 29.84600 14.23800 24.14000  1.000 51.53860  ? 429 ARG A HH22 1 
HETATM 1634 C  C1   . GOL B 2 .   ? 38.19900 0.69100  5.14300   0.970 83.13164  ? 501 GOL A C1   1 
HETATM 1635 O  O1   . GOL B 2 .   ? 37.57700 -0.26100 4.28400   0.970 80.29164  ? 501 GOL A O1   1 
HETATM 1636 C  C2   . GOL B 2 .   ? 37.25200 1.17400  6.22100   0.970 87.01164  ? 501 GOL A C2   1 
HETATM 1637 O  O2   . GOL B 2 .   ? 38.00400 1.73200  7.29700   0.970 97.61164  ? 501 GOL A O2   1 
HETATM 1638 C  C3   . GOL B 2 .   ? 36.23500 2.18100  5.72100   0.970 82.30164  ? 501 GOL A C3   1 
HETATM 1639 O  O3   . GOL B 2 .   ? 36.84100 3.41800  5.35100   0.970 76.42164  ? 501 GOL A O3   1 
HETATM 1640 H  H11  . GOL B 2 .   ? 38.50700 1.44700  4.61900   0.970 99.94580  ? 501 GOL A H11  1 
HETATM 1641 H  H12  . GOL B 2 .   ? 38.98200 0.29300  5.55400   0.970 99.94580  ? 501 GOL A H12  1 
HETATM 1642 H  HO1  . GOL B 2 .   ? 37.28200 0.12900  3.60100   0.970 96.53780  ? 501 GOL A HO1  1 
HETATM 1643 H  H2   . GOL B 2 .   ? 36.74700 0.40200  6.52200   0.970 104.60180 ? 501 GOL A H2   1 
HETATM 1644 H  HO2  . GOL B 2 .   ? 37.92800 2.56900  7.28800   0.970 117.32180 ? 501 GOL A HO2  1 
HETATM 1645 H  H31  . GOL B 2 .   ? 35.57300 2.34100  6.41200   0.970 98.94980  ? 501 GOL A H31  1 
HETATM 1646 H  H32  . GOL B 2 .   ? 35.76500 1.81200  4.95700   0.970 98.94980  ? 501 GOL A H32  1 
HETATM 1647 H  HO3  . GOL B 2 .   ? 36.27400 3.90400  4.96600   0.970 91.89380  ? 501 GOL A HO3  1 
HETATM 1648 C  C1   . GOL C 2 .   ? 18.89000 23.16900 19.95200  0.780 75.04905  ? 502 GOL A C1   1 
HETATM 1649 O  O1   . GOL C 2 .   ? 18.06400 23.85900 20.88600  0.780 79.86550  ? 502 GOL A O1   1 
HETATM 1650 C  C2   . GOL C 2 .   ? 19.05000 21.71000 20.31000  0.780 74.28006  ? 502 GOL A C2   1 
HETATM 1651 O  O2   . GOL C 2 .   ? 17.78300 21.17700 20.68900  0.780 88.88164  ? 502 GOL A O2   1 
HETATM 1652 C  C3   . GOL C 2 .   ? 20.07000 21.47600 21.40400  0.780 72.34164  ? 502 GOL A C3   1 
HETATM 1653 O  O3   . GOL C 2 .   ? 21.33400 22.05200 21.08700  0.780 74.07164  ? 502 GOL A O3   1 
HETATM 1654 H  H11  . GOL C 2 .   ? 19.76300 23.59100 19.91900  0.780 90.24670  ? 502 GOL A H11  1 
HETATM 1655 H  H12  . GOL C 2 .   ? 18.50600 23.24300 19.06500  0.780 90.24670  ? 502 GOL A H12  1 
HETATM 1656 H  HO1  . GOL C 2 .   ? 17.76200 23.31400 21.45000  0.780 96.02644  ? 502 GOL A HO1  1 
HETATM 1657 H  H2   . GOL C 2 .   ? 19.38600 21.25200 19.52300  0.780 89.32392  ? 502 GOL A H2   1 
HETATM 1658 H  HO2  . GOL C 2 .   ? 17.71000 21.19600 21.52600  0.780 106.84580 ? 502 GOL A HO2  1 
HETATM 1659 H  H31  . GOL C 2 .   ? 20.17700 20.52300 21.54700  0.780 86.99780  ? 502 GOL A H31  1 
HETATM 1660 H  H32  . GOL C 2 .   ? 19.74300 21.85300 22.23600  0.780 86.99780  ? 502 GOL A H32  1 
HETATM 1661 H  HO3  . GOL C 2 .   ? 21.94800 21.57200 21.40200  0.780 89.07380  ? 502 GOL A HO3  1 
HETATM 1662 CL CL   . CL  D 3 .   ? 36.19100 12.41100 2.61100   0.730 61.25164  ? 503 CL  A CL   1 
HETATM 1663 CL CL   . CL  E 3 .   ? 31.68700 20.60800 28.92500  0.490 41.80529  ? 504 CL  A CL   1 
HETATM 1664 CL CL   . CL  F 3 .   ? 22.15300 13.39700 36.38700  0.460 46.21164  ? 505 CL  A CL   1 
HETATM 1665 CL CL   . CL  G 3 .   ? 40.80100 7.66100  1.39900   0.540 59.69164  ? 506 CL  A CL   1 
HETATM 1666 CL CL   . CL  H 3 .   ? 43.91100 2.13500  6.07400   0.480 57.52164  ? 507 CL  A CL   1 
HETATM 1667 CL CL   . CL  I 3 .   ? 15.70600 7.32900  34.18800  0.400 64.16581  ? 508 CL  A CL   1 
HETATM 1668 CL CL   . CL  J 3 .   ? 10.53100 25.69600 21.93300  0.690 81.92390  ? 509 CL  A CL   1 
HETATM 1669 CL CL   . CL  K 3 .   ? 37.10500 13.13000 -3.31200  1.000 141.36164 ? 510 CL  A CL   1 
HETATM 1670 CL CL   . CL  L 3 .   ? 16.86500 0.02200  9.78000   1.000 135.10164 ? 511 CL  A CL   1 
HETATM 1671 NA NA   . NA  M 4 .   ? 42.23700 0.38400  6.57100   0.980 76.46164  1 512 NA  A NA   1 
HETATM 1672 NA NA   . NA  N 4 .   ? 7.41100  28.40400 29.95300  0.990 59.99050  1 513 NA  A NA   1 
HETATM 1673 NA NA   . NA  O 4 .   ? 14.40700 2.96000  6.98200   1.000 69.76731  ? 514 NA  A NA   1 
HETATM 1674 O  O    . HOH P 5 .   ? 23.01100 22.61800 24.42600  0.990 45.07164  ? 601 HOH A O    1 
HETATM 1675 O  O    . HOH P 5 .   ? 23.10600 0.78700  21.90100  0.830 88.49806  ? 602 HOH A O    1 
HETATM 1676 O  O    . HOH P 5 .   ? 26.68000 21.34100 23.90900  0.770 33.03666  ? 603 HOH A O    1 
HETATM 1677 O  O    . HOH P 5 .   ? 16.71000 9.64800  14.58900  0.500 53.11412  ? 604 HOH A O    1 
HETATM 1678 O  O    . HOH P 5 .   ? 24.39900 2.94800  -5.28600  0.910 61.61846  ? 605 HOH A O    1 
HETATM 1679 O  O    . HOH P 5 .   ? 12.55700 30.44100 40.41900  0.990 59.75324  ? 606 HOH A O    1 
HETATM 1680 O  O    . HOH P 5 .   ? 14.25800 8.85000  -3.73000  0.400 35.89867  ? 607 HOH A O    1 
HETATM 1681 O  O    . HOH P 5 .   ? 21.53300 1.53200  -3.78100  0.930 60.99164  ? 608 HOH A O    1 
HETATM 1682 O  O    . HOH P 5 .   ? 21.577   24.629   21.955    0.950 39.60796  ? 609 HOH A O    1 
HETATM 1683 O  O    . HOH P 5 .   ? 20.36000 10.55000 28.29300  0.930 55.74556  ? 610 HOH A O    1 
HETATM 1684 O  O    . HOH P 5 .   ? 29.48000 7.46300  24.66700  0.970 82.19947  ? 611 HOH A O    1 
HETATM 1685 O  O    . HOH P 5 .   ? 14.79000 16.26400 32.55900  0.990 53.37435  ? 612 HOH A O    1 
HETATM 1686 O  O    . HOH P 5 .   ? 29.334   14.883   14.588    0.840 42.57792  ? 613 HOH A O    1 
HETATM 1687 O  O    . HOH P 5 .   ? 14.54500 5.17500  -7.17400  0.670 69.12117  ? 614 HOH A O    1 
HETATM 1688 O  O    . HOH P 5 .   ? 25.34400 3.66300  22.39900  0.930 49.42946  ? 615 HOH A O    1 
HETATM 1689 O  O    . HOH P 5 .   ? 34.13400 11.94200 21.45000  0.860 66.12908  ? 616 HOH A O    1 
HETATM 1690 O  O    . HOH P 5 .   ? 19.61400 -1.39200 17.22200  0.930 55.81164  ? 617 HOH A O    1 
HETATM 1691 O  O    . HOH P 5 .   ? 17.15700 4.49100  3.47600   0.990 66.82164  ? 618 HOH A O    1 
HETATM 1692 O  O    . HOH P 5 .   ? 34.64800 12.45200 14.17200  0.990 53.31164  ? 619 HOH A O    1 
HETATM 1693 O  O    . HOH P 5 .   ? 30.57300 2.39000  13.17500  0.800 52.79308  ? 620 HOH A O    1 
HETATM 1694 O  O    . HOH P 5 .   ? 16.71800 14.64700 22.42600  0.990 58.55851  ? 621 HOH A O    1 
HETATM 1695 O  O    . HOH P 5 .   ? 19.57800 -0.59000 20.39500  0.920 69.81741  ? 622 HOH A O    1 
HETATM 1696 O  O    . HOH P 5 .   ? 24.07300 -0.52200 17.96100  0.900 58.27164  ? 623 HOH A O    1 
HETATM 1697 O  O    . HOH P 5 .   ? 41.17800 6.93300  -1.73500  0.950 54.33933  ? 624 HOH A O    1 
HETATM 1698 O  O    . HOH P 5 .   ? 12.376   8.173    24.982    0.980 69.89145  ? 625 HOH A O    1 
HETATM 1699 O  O    . HOH P 5 .   ? 28.97900 -1.62800 15.94500  0.820 49.99471  ? 626 HOH A O    1 
HETATM 1700 O  O    . HOH P 5 .   ? 34.06000 19.16700 34.73100  0.740 74.26879  ? 627 HOH A O    1 
HETATM 1701 O  O    . HOH P 5 .   ? 36.15700 2.23100  10.42200  0.500 59.61729  ? 628 HOH A O    1 
HETATM 1702 O  O    . HOH P 5 .   ? 30.61100 18.61000 33.26700  0.870 56.13608  ? 629 HOH A O    1 
HETATM 1703 O  O    . HOH P 5 .   ? 15.66300 11.30700 18.96800  0.970 75.98948  ? 630 HOH A O    1 
HETATM 1704 O  O    . HOH P 5 .   ? 31.04900 1.37500  9.18300   0.990 75.66164  ? 631 HOH A O    1 
HETATM 1705 O  O    . HOH P 5 .   ? 20.59800 4.27900  27.68300  0.950 51.89887  ? 632 HOH A O    1 
HETATM 1706 O  O    . HOH P 5 .   ? 31.96700 14.78700 14.59000  0.820 39.10164  ? 633 HOH A O    1 
HETATM 1707 O  O    . HOH P 5 .   ? 28.22700 -3.47000 10.26500  1.000 79.08164  ? 634 HOH A O    1 
HETATM 1708 O  O    . HOH P 5 .   ? 28.30600 17.77500 18.19400  0.500 46.15538  ? 635 HOH A O    1 
HETATM 1709 O  O    . HOH P 5 .   ? 16.23000 -0.00500 3.66900   0.880 66.85290  ? 636 HOH A O    1 
HETATM 1710 O  O    . HOH P 5 .   ? 32.66600 17.18100 27.42200  0.990 52.70164  ? 637 HOH A O    1 
HETATM 1711 O  O    . HOH P 5 .   ? 23.81700 -4.00200 13.20700  0.750 60.48554  ? 638 HOH A O    1 
HETATM 1712 O  O    . HOH P 5 .   ? 34.67400 12.66300 10.95400  0.830 60.46242  ? 639 HOH A O    1 
HETATM 1713 O  O    . HOH P 5 .   ? 38.75800 7.53400  11.55300  0.990 58.06012  ? 640 HOH A O    1 
HETATM 1714 O  O    . HOH P 5 .   ? 7.83700  20.47200 25.38300  0.920 65.14069  ? 641 HOH A O    1 
HETATM 1715 O  O    . HOH P 5 .   ? 40.07700 13.91900 2.55300   0.780 60.01459  ? 642 HOH A O    1 
HETATM 1716 O  O    . HOH P 5 .   ? 11.87800 0.98300  0.25600   0.820 60.53920  ? 643 HOH A O    1 
HETATM 1717 O  O    . HOH P 5 .   ? 34.81000 13.63600 -5.02800  0.830 85.22072  ? 644 HOH A O    1 
HETATM 1718 O  O    . HOH P 5 .   ? 39.68900 5.16500  11.52000  0.680 77.60907  ? 645 HOH A O    1 
HETATM 1719 O  O    . HOH P 5 .   ? 43.91200 5.97600  0.67500   0.870 74.12164  ? 646 HOH A O    1 
# 
