data_9DPQ
# 
_entry.id   9DPQ 
# 
_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   9DPQ         pdb_00009dpq 10.2210/pdb9dpq/pdb 
WWPDB D_1000287367 ?            ?                   
# 
_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                        9DPQ 
_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' 12118.971 1  ? A321S ? ? 
2 non-polymer syn GLYCEROL                          92.094    2  ? ?     ? ? 
3 non-polymer syn 'CHLORIDE ION'                    35.453    10 ? ?     ? ? 
4 non-polymer syn 'SODIUM ION'                      22.990    6  ? ?     ? ? 
5 water       nat water                             18.015    62 ? ?     ? ? 
# 
_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       
;SSGAGSHCQKTSLRVNFEDIGWDSWIIAPKEYEAYECKGGCFFPLADDVTPTKHAIVQTLVHLKFPTKVGKACCVPTKLS
PISVLYKDDMGVPTLKYHYEGMSVAECGCR
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SSGAGSHCQKTSLRVNFEDIGWDSWIIAPKEYEAYECKGGCFFPLADDVTPTKHAIVQTLVHLKFPTKVGKACCVPTKLS
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  LYS 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  GLY 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   324 324 GLY GLY 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  LYS 38  357 357 LYS LYS 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  GLY 70  389 389 GLY GLY 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 2  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 3 CL  1  512 10 CL  CL  A . 
N 4 NA  1  513 1  NA  NA  A . 
O 4 NA  1  514 2  NA  NA  A . 
P 4 NA  1  515 3  NA  NA  A . 
Q 4 NA  1  516 4  NA  NA  A . 
R 4 NA  1  517 5  NA  NA  A . 
S 4 NA  1  518 6  NA  NA  A . 
T 5 HOH 1  601 11 HOH HOH A . 
T 5 HOH 2  602 1  HOH HOH A . 
T 5 HOH 3  603 48 HOH HOH A . 
T 5 HOH 4  604 40 HOH HOH A . 
T 5 HOH 5  605 39 HOH HOH A . 
T 5 HOH 6  606 36 HOH HOH A . 
T 5 HOH 7  607 54 HOH HOH A . 
T 5 HOH 8  608 13 HOH HOH A . 
T 5 HOH 9  609 20 HOH HOH A . 
T 5 HOH 10 610 15 HOH HOH A . 
T 5 HOH 11 611 37 HOH HOH A . 
T 5 HOH 12 612 16 HOH HOH A . 
T 5 HOH 13 613 42 HOH HOH A . 
T 5 HOH 14 614 3  HOH HOH A . 
T 5 HOH 15 615 55 HOH HOH A . 
T 5 HOH 16 616 57 HOH HOH A . 
T 5 HOH 17 617 49 HOH HOH A . 
T 5 HOH 18 618 27 HOH HOH A . 
T 5 HOH 19 619 41 HOH HOH A . 
T 5 HOH 20 620 5  HOH HOH A . 
T 5 HOH 21 621 43 HOH HOH A . 
T 5 HOH 22 622 29 HOH HOH A . 
T 5 HOH 23 623 22 HOH HOH A . 
T 5 HOH 24 624 26 HOH HOH A . 
T 5 HOH 25 625 4  HOH HOH A . 
T 5 HOH 26 626 19 HOH HOH A . 
T 5 HOH 27 627 31 HOH HOH A . 
T 5 HOH 28 628 9  HOH HOH A . 
T 5 HOH 29 629 2  HOH HOH A . 
T 5 HOH 30 630 35 HOH HOH A . 
T 5 HOH 31 631 6  HOH HOH A . 
T 5 HOH 32 632 7  HOH HOH A . 
T 5 HOH 33 633 28 HOH HOH A . 
T 5 HOH 34 634 50 HOH HOH A . 
T 5 HOH 35 635 24 HOH HOH A . 
T 5 HOH 36 636 63 HOH HOH A . 
T 5 HOH 37 637 10 HOH HOH A . 
T 5 HOH 38 638 38 HOH HOH A . 
T 5 HOH 39 639 33 HOH HOH A . 
T 5 HOH 40 640 47 HOH HOH A . 
T 5 HOH 41 641 8  HOH HOH A . 
T 5 HOH 42 642 46 HOH HOH A . 
T 5 HOH 43 643 23 HOH HOH A . 
T 5 HOH 44 644 25 HOH HOH A . 
T 5 HOH 45 645 32 HOH HOH A . 
T 5 HOH 46 646 30 HOH HOH A . 
T 5 HOH 47 647 62 HOH HOH A . 
T 5 HOH 48 648 64 HOH HOH A . 
T 5 HOH 49 649 44 HOH HOH A . 
T 5 HOH 50 650 61 HOH HOH A . 
T 5 HOH 51 651 12 HOH HOH A . 
T 5 HOH 52 652 58 HOH HOH A . 
T 5 HOH 53 653 45 HOH HOH A . 
T 5 HOH 54 654 18 HOH HOH A . 
T 5 HOH 55 655 60 HOH HOH A . 
T 5 HOH 56 656 56 HOH HOH A . 
T 5 HOH 57 657 52 HOH HOH A . 
T 5 HOH 58 658 51 HOH HOH A . 
T 5 HOH 59 659 21 HOH HOH A . 
T 5 HOH 60 660 53 HOH HOH A . 
T 5 HOH 61 661 59 HOH HOH A . 
T 5 HOH 62 662 34 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                     9DPQ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     71.045 
_cell.length_a_esd                 ? 
_cell.length_b                     71.045 
_cell.length_b_esd                 ? 
_cell.length_c                     145.567 
_cell.length_c_esd                 ? 
_cell.volume                       734733.715 
_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                         9DPQ 
_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                   9DPQ 
_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             3.79 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          67.54 
_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              3.5 
_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, 3.5% PEG8K, 0.3M Sodium Citrate pH 3.5' 
_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         2022-04-24 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1 
_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                          40.38 
_reflns.entry_id                                       9DPQ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.35 
_reflns.d_resolution_low                               41.34 
_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                                     7868 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           97.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                5.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          4.8 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.00 
_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                                0.251 
_reflns.pdbx_Rpim_I_all                                0.135 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.982 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.209 
_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                                    2.35 
_reflns_shell.d_res_low                                     2.43 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.7 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             763 
_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                               4.6 
_reflns_shell.pdbx_chi_squared                              1.00 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               1.785 
_reflns_shell.pdbx_Rpim_I_all                               0.973 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.311 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          98.3 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.478 
_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                               60.41 
_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                                 9DPQ 
_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                            2.35 
_refine.ls_d_res_low                             41.34 
_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                     7852 
_refine.ls_number_reflns_R_free                  438 
_refine.ls_number_reflns_R_work                  7414 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    96.56 
_refine.ls_percent_reflns_R_free                 5.58 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2027 
_refine.ls_R_factor_R_free                       0.2489 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2000 
_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                          1.01 
_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                 27.7722 
_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                            0.3158 
_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                       2.35 
_refine_hist.d_res_low                        41.34 
_refine_hist.number_atoms_solvent             62 
_refine_hist.number_atoms_total               916 
_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         28 
_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' ? 0.0054  ? 864  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.8225  ? 1167 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0411  ? 126  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0045  ? 145  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 10.1613 ? 315  ? 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' 2.35 2.69  . . 157 2407 97.19 . . . . 0.2524 . . . . . . . . . . . 0.3222 
'X-RAY DIFFRACTION' 2.69 3.39  . . 127 2450 96.26 . . . . 0.2099 . . . . . . . . . . . 0.2391 
'X-RAY DIFFRACTION' 3.39 41.34 . . 154 2557 96.24 . . . . 0.1832 . . . . . . . . . . . 0.2344 
# 
_struct.entry_id                     9DPQ 
_struct.title                        'BMP-9 Wild-Type Dimer without Radiation Damage in Acidic 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        9DPQ 
_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 3 ? 
N N N 4 ? 
O N N 4 ? 
P N N 4 ? 
Q N N 4 ? 
R N N 4 ? 
S N N 4 ? 
T 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              9DPQ 
_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 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             9DPQ 
_struct_ref_seq_dif.mon_id                       SER 
_struct_ref_seq_dif.pdbx_pdb_strand_id           A 
_struct_ref_seq_dif.seq_num                      2 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   Q9UK05 
_struct_ref_seq_dif.db_mon_id                    ALA 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          321 
_struct_ref_seq_dif.details                      'engineered mutation' 
_struct_ref_seq_dif.pdbx_auth_seq_num            321 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_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,Q,R,S,T 
1 2 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T 
# 
_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 homodimers 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_545 x,-y-1/2,-z+1/4 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 
-1.0000000000 0.0000000000 -35.5225000000 0.0000000000 0.0000000000 -1.0000000000 36.3917500000 
# 
_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 ? ? ? ? ? ? ? 2.025 ? ? 
disulf2 disulf ? ? A CYS 37 SG  ? ? ? 1_555 A CYS 107 SG ? ? A CYS 356 A CYS 426 1_555 ? ? ? ? ? ? ? 2.030 ? ? 
disulf3 disulf ? ? A CYS 41 SG  ? ? ? 1_555 A CYS 109 SG ? ? A CYS 360 A CYS 428 1_555 ? ? ? ? ? ? ? 2.021 ? ? 
disulf4 disulf ? ? A CYS 73 SG  ? ? ? 1_555 A CYS 73  SG ? ? A CYS 392 A CYS 392 6_545 ? ? ? ? ? ? ? 2.035 ? ? 
metalc1 metalc ? ? A THR 67 OG1 ? ? ? 1_555 R NA  .   NA ? ? A THR 386 A NA  517 1_555 ? ? ? ? ? ? ? 2.865 ? ? 
metalc2 metalc ? ? A PRO 76 O   ? ? ? 1_555 N NA  .   NA ? ? A PRO 395 A NA  513 1_555 ? ? ? ? ? ? ? 2.816 ? ? 
metalc3 metalc ? ? N NA  .  NA  ? ? ? 1_555 T HOH .   O  ? ? A NA  513 A HOH 605 6_545 ? ? ? ? ? ? ? 2.586 ? ? 
metalc4 metalc ? ? O NA  .  NA  ? ? ? 1_555 T HOH .   O  ? ? A NA  514 A HOH 635 1_555 ? ? ? ? ? ? ? 2.931 ? ? 
metalc5 metalc ? ? Q NA  .  NA  ? ? ? 1_555 T HOH .   O  ? ? A NA  516 A HOH 615 1_555 ? ? ? ? ? ? ? 3.064 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
_pdbx_struct_conn_angle.id                    1 
_pdbx_struct_conn_angle.ptnr1_label_atom_id   O 
_pdbx_struct_conn_angle.ptnr1_label_alt_id    ? 
_pdbx_struct_conn_angle.ptnr1_label_asym_id   A 
_pdbx_struct_conn_angle.ptnr1_label_comp_id   PRO 
_pdbx_struct_conn_angle.ptnr1_label_seq_id    76 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id    ? 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id    A 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id    PRO 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id     395 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code    ? 
_pdbx_struct_conn_angle.ptnr1_symmetry        1_555 
_pdbx_struct_conn_angle.ptnr2_label_atom_id   NA 
_pdbx_struct_conn_angle.ptnr2_label_alt_id    ? 
_pdbx_struct_conn_angle.ptnr2_label_asym_id   N 
_pdbx_struct_conn_angle.ptnr2_label_comp_id   NA 
_pdbx_struct_conn_angle.ptnr2_label_seq_id    . 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id    ? 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id    A 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id    NA 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id     513 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code    ? 
_pdbx_struct_conn_angle.ptnr2_symmetry        1_555 
_pdbx_struct_conn_angle.ptnr3_label_atom_id   O 
_pdbx_struct_conn_angle.ptnr3_label_alt_id    ? 
_pdbx_struct_conn_angle.ptnr3_label_asym_id   T 
_pdbx_struct_conn_angle.ptnr3_label_comp_id   HOH 
_pdbx_struct_conn_angle.ptnr3_label_seq_id    . 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id    ? 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id    A 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id    HOH 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id     605 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code    ? 
_pdbx_struct_conn_angle.ptnr3_symmetry        6_545 
_pdbx_struct_conn_angle.value                 107.8 
_pdbx_struct_conn_angle.value_esd             ? 
# 
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_545 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 -1.52 
2 PHE 43 A . ? PHE 362 A PRO 44 A ? PRO 363 A 1 0.64  
# 
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 ? LYS A 38  ? GLU A 355 LYS 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 THR A 11 ? N THR A 330 O GLU A 36 ? O GLU A 355 
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 TYR A 86 ? N TYR A 405 O THR A 94 ? O THR A 413 
# 
_pdbx_entry_details.entry_id                   9DPQ 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    TYR 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     354 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             62.95 
_pdbx_validate_torsion.psi             169.90 
# 
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  507 ? H CL  . 
2 1 A HOH 647 ? T 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_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -22.1556239483 -4.72635690053 6.39849818555 0.340270792399 ? 0.106652425342   ? 0.0530806202637   
? 0.301648382208 ? -0.0170275242056 ? 0.333262703981 ? 6.62310793692 ? -0.739666028037 ? -0.223971889789 ? 6.65404329374 ? 
-2.40185405253 ? 3.44302434012 ? 0.263042536211  ? 0.450892754441  ? 0.338352151558    ? 0.0102083355027 ? -0.392230110979 ? 
-0.25659692264  ? -1.32132499577 ? 0.184073258346  ? 0.0821591532386 ? 
2 'X-RAY DIFFRACTION' ? refined -22.5417742073 -12.2640159963 29.7192860124 0.63098599793  ? -0.0175386576757 ? -0.0523372770218  
? 0.319203284931 ? -0.045701984661  ? 0.506739058266 ? 7.93564699733 ? 5.88763660041   ? 5.0219523097    ? 5.43622613351 ? 
1.26698240289  ? 9.00499993617 ? -0.424752607792 ? -0.450889529593 ? 1.29500240954     ? 0.415020564744  ? -0.53792640288  ? 
0.442392302495  ? -2.02367202323 ? -0.438875195512 ? 0.804879589994  ? 
3 'X-RAY DIFFRACTION' ? refined -16.7608666741 -23.7257050173 28.808495818  0.408453788473 ? -0.0374385816373 ? -0.0454579595306  
? 0.353761467581 ? -0.0331169369505 ? 0.308954960499 ? 9.14138875653 ? -2.66983234657  ? 4.54342754227   ? 7.97302356456 ? 
-2.5532417142  ? 2.48043525136 ? 0.17801176599   ? 0.159087373103  ? -0.132736998643   ? 0.181130118081  ? -0.333211889529 ? 
-0.700370165691 ? 0.678222821368 ? 0.342702076915  ? 0.107184650969  ? 
4 'X-RAY DIFFRACTION' ? refined -32.2149157573 -8.32388167773 4.76170661568 0.397276905723 ? 0.168302820017   ? -0.00761223813404 
? 0.373989705528 ? -0.0698246942084 ? 0.341995409012 ? 3.65025517218 ? -1.06121466174  ? 2.46448640962   ? 4.98855935904 ? 
-2.76901735515 ? 6.62578564231 ? 0.337973372765  ? 0.413643488392  ? -0.00732868442267 ? -0.511536179791 ? -0.110832840132 ? 
0.489796490601  ? 0.147345226232 ? -0.720493011683 ? -0.165248657624 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 A 1  A 324 ? A 34  A 357 ? ? 
;chain 'A' and (resid  324  through  357 )
;
2 'X-RAY DIFFRACTION' 2 A 35 A 358 ? A 48  A 371 ? ? 
;chain 'A' and (resid  358  through  371 )
;
3 'X-RAY DIFFRACTION' 3 A 49 A 372 ? A 69  A 392 ? ? 
;chain 'A' and (resid  372  through  392 )
;
4 'X-RAY DIFFRACTION' 4 A 70 A 393 ? A 106 A 429 ? ? 
;chain 'A' and (resid  393  through  429 )
;
# 
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 
# 
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                    9DPQ 
_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]   0.014076 
_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]   0.014076 
_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]   0.006870 
_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.
;
? 
O  ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-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    . GLY A 1 5   ? -14.27600 -3.14400  30.66000  1.000 124.09333 ? 324 GLY A N    1 
ATOM   2    C  CA   . GLY A 1 5   ? -15.22400 -4.21800  30.43300  1.000 136.77978 ? 324 GLY A CA   1 
ATOM   3    C  C    . GLY A 1 5   ? -15.45900 -4.50800  28.96400  1.000 135.23966 ? 324 GLY A C    1 
ATOM   4    O  O    . GLY A 1 5   ? -16.27900 -3.86000  28.31500  1.000 139.88483 ? 324 GLY A O    1 
ATOM   5    H  HA2  . GLY A 1 5   ? -14.90200 -5.02300  30.86800  1.000 164.18068 ? 324 GLY A HA2  1 
ATOM   6    H  HA3  . GLY A 1 5   ? -16.06900 -3.98900  30.85000  1.000 164.18068 ? 324 GLY A HA3  1 
ATOM   7    N  N    . SER A 1 6   ? -14.73200 -5.48800  28.43200  1.000 112.09344 ? 325 SER A N    1 
ATOM   8    C  CA   . SER A 1 6   ? -14.85500 -5.88800  27.03100  1.000 135.72296 ? 325 SER A CA   1 
ATOM   9    C  C    . SER A 1 6   ? -15.80900 -7.07700  26.97000  1.000 121.30380 ? 325 SER A C    1 
ATOM   10   O  O    . SER A 1 6   ? -15.39000 -8.23500  26.97100  1.000 126.19085 ? 325 SER A O    1 
ATOM   11   C  CB   . SER A 1 6   ? -13.49000 -6.22200  26.44000  1.000 121.51875 ? 325 SER A CB   1 
ATOM   12   O  OG   . SER A 1 6   ? -13.59800 -6.58800  25.07600  1.000 105.76796 ? 325 SER A OG   1 
ATOM   13   H  H    . SER A 1 6   ? -14.15100 -5.94200  28.87500  1.000 134.55707 ? 325 SER A H    1 
ATOM   14   H  HA   . SER A 1 6   ? -15.21100 -5.16000  26.49800  1.000 162.91250 ? 325 SER A HA   1 
ATOM   15   H  HB2  . SER A 1 6   ? -12.90100 -5.45600  26.52600  1.000 145.86745 ? 325 SER A HB2  1 
ATOM   16   H  HB3  . SER A 1 6   ? -13.08700 -6.94800  26.94100  1.000 145.86745 ? 325 SER A HB3  1 
ATOM   17   H  HG   . SER A 1 6   ? -14.12900 -7.23400  25.00000  1.000 126.96651 ? 325 SER A HG   1 
ATOM   18   N  N    . HIS A 1 7   ? -17.10500 -6.78300  26.91600  1.000 101.35114 ? 326 HIS A N    1 
ATOM   19   C  CA   . HIS A 1 7   ? -18.14600 -7.80000  26.89700  1.000 91.28739  ? 326 HIS A CA   1 
ATOM   20   C  C    . HIS A 1 7   ? -18.89000 -7.77700  25.56300  1.000 75.28938  ? 326 HIS A C    1 
ATOM   21   O  O    . HIS A 1 7   ? -18.58000 -7.00000  24.65600  1.000 73.03952  ? 326 HIS A O    1 
ATOM   22   C  CB   . HIS A 1 7   ? -19.10400 -7.61000  28.07400  1.000 76.35952  ? 326 HIS A CB   1 
ATOM   23   C  CG   . HIS A 1 7   ? -18.51500 -7.99100  29.39600  1.000 126.26911 ? 326 HIS A CG   1 
ATOM   24   N  ND1  . HIS A 1 7   ? -18.14400 -9.28400  29.69900  1.000 67.70614  ? 326 HIS A ND1  1 
ATOM   25   C  CD2  . HIS A 1 7   ? -18.22900 -7.25100  30.49300  1.000 119.06821 ? 326 HIS A CD2  1 
ATOM   26   C  CE1  . HIS A 1 7   ? -17.65600 -9.32400  30.92500  1.000 111.88558 ? 326 HIS A CE1  1 
ATOM   27   N  NE2  . HIS A 1 7   ? -17.69700 -8.10400  31.43000  1.000 101.57578 ? 326 HIS A NE2  1 
ATOM   28   H  H    . HIS A 1 7   ? -17.40600 -5.97800  26.88900  1.000 121.66631 ? 326 HIS A H    1 
ATOM   29   H  HA   . HIS A 1 7   ? -17.73200 -8.67200  26.99100  1.000 109.58981 ? 326 HIS A HA   1 
ATOM   30   H  HB2  . HIS A 1 7   ? -19.38200 -6.68100  28.10800  1.000 91.67638  ? 326 HIS A HB2  1 
ATOM   31   H  HB3  . HIS A 1 7   ? -19.90200 -8.13900  27.92000  1.000 91.67638  ? 326 HIS A HB3  1 
ATOM   32   H  HD2  . HIS A 1 7   ? -18.36700 -6.33700  30.59400  1.000 142.92681 ? 326 HIS A HD2  1 
ATOM   33   H  HE1  . HIS A 1 7   ? -17.33800 -10.08200 31.35900  1.000 134.30764 ? 326 HIS A HE1  1 
ATOM   34   H  HE2  . HIS A 1 7   ? -17.43400 -7.88000  32.21700  1.000 121.93588 ? 326 HIS A HE2  1 
ATOM   35   N  N    . CYS A 1 8   ? -19.89100 -8.64800  25.46200  1.000 50.39610  ? 327 CYS A N    1 
ATOM   36   C  CA   . CYS A 1 8   ? -20.61700 -8.85600  24.21500  1.000 48.10921  ? 327 CYS A CA   1 
ATOM   37   C  C    . CYS A 1 8   ? -21.51800 -7.66200  23.91700  1.000 45.78899  ? 327 CYS A C    1 
ATOM   38   O  O    . CYS A 1 8   ? -22.40700 -7.33600  24.71000  1.000 63.16882  ? 327 CYS A O    1 
ATOM   39   C  CB   . CYS A 1 8   ? -21.43400 -10.14300 24.31100  1.000 43.27417  ? 327 CYS A CB   1 
ATOM   40   S  SG   . CYS A 1 8   ? -22.28600 -10.62400 22.80100  1.000 39.54725  ? 327 CYS A SG   1 
ATOM   41   H  H    . CYS A 1 8   ? -20.16700 -9.13400  26.11500  1.000 60.25058  ? 327 CYS A H    1 
ATOM   42   H  HA   . CYS A 1 8   ? -19.98300 -8.94000  23.48500  1.000 57.77599  ? 327 CYS A HA   1 
ATOM   43   H  HB2  . CYS A 1 8   ? -20.84300 -10.86500 24.57600  1.000 51.70427  ? 327 CYS A HB2  1 
ATOM   44   H  HB3  . CYS A 1 8   ? -22.09100 -10.04000 25.01700  1.000 51.70427  ? 327 CYS A HB3  1 
ATOM   45   N  N    . GLN A 1 9   ? -21.30300 -7.01900  22.77000  1.000 44.57460  ? 328 GLN A N    1 
ATOM   46   C  CA   . GLN A 1 9   ? -22.06300 -5.82300  22.43200  1.000 44.32897  ? 328 GLN A CA   1 
ATOM   47   C  C    . GLN A 1 9   ? -22.06500 -5.62100  20.92200  1.000 40.47988  ? 328 GLN A C    1 
ATOM   48   O  O    . GLN A 1 9   ? -21.21800 -6.15400  20.20200  1.000 42.61801  ? 328 GLN A O    1 
ATOM   49   C  CB   . GLN A 1 9   ? -21.49500 -4.58300  23.13000  1.000 49.34690  ? 328 GLN A CB   1 
ATOM   50   C  CG   . GLN A 1 9   ? -20.07500 -4.24500  22.70800  1.000 59.41464  ? 328 GLN A CG   1 
ATOM   51   C  CD   . GLN A 1 9   ? -19.59500 -2.92900  23.28400  1.000 98.64437  ? 328 GLN A CD   1 
ATOM   52   O  OE1  . GLN A 1 9   ? -20.37400 -2.17200  23.86700  1.000 74.82090  ? 328 GLN A OE1  1 
ATOM   53   N  NE2  . GLN A 1 9   ? -18.30600 -2.64800  23.12500  1.000 114.77912 ? 328 GLN A NE2  1 
ATOM   54   H  H    . GLN A 1 9   ? -20.72500 -7.25900  22.18000  1.000 53.53447  ? 328 GLN A H    1 
ATOM   55   H  HA   . GLN A 1 9   ? -22.97400 -5.94700  22.74200  1.000 52.97003  ? 328 GLN A HA   1 
ATOM   56   H  HB2  . GLN A 1 9   ? -22.06900 -3.82400  22.94300  1.000 58.99154  ? 328 GLN A HB2  1 
ATOM   57   H  HB3  . GLN A 1 9   ? -21.51500 -4.72400  24.09000  1.000 58.99154  ? 328 GLN A HB3  1 
ATOM   58   H  HG2  . GLN A 1 9   ? -19.47900 -4.95500  22.99200  1.000 71.34252  ? 328 GLN A HG2  1 
ATOM   59   H  HG3  . GLN A 1 9   ? -20.02900 -4.20700  21.74000  1.000 71.34252  ? 328 GLN A HG3  1 
ATOM   60   H  HE21 . GLN A 1 9   ? -17.79300 -3.20100  22.71200  1.000 137.77989 ? 328 GLN A HE21 1 
ATOM   61   H  HE22 . GLN A 1 9   ? -17.98500 -1.91300  23.43500  1.000 137.77989 ? 328 GLN A HE22 1 
ATOM   62   N  N    . LYS A 1 10  ? -23.02800 -4.82300  20.46000  1.000 49.06616  ? 329 LYS A N    1 
ATOM   63   C  CA   . LYS A 1 10  ? -23.16000 -4.49600  19.04500  1.000 50.25101  ? 329 LYS A CA   1 
ATOM   64   C  C    . LYS A 1 10  ? -22.24100 -3.33500  18.68600  1.000 48.21222  ? 329 LYS A C    1 
ATOM   65   O  O    . LYS A 1 10  ? -22.35400 -2.24700  19.25900  1.000 76.92496  ? 329 LYS A O    1 
ATOM   66   C  CB   . LYS A 1 10  ? -24.61000 -4.15400  18.70900  1.000 39.85056  ? 329 LYS A CB   1 
ATOM   67   C  CG   . LYS A 1 10  ? -24.84200 -3.84800  17.23800  1.000 53.43202  ? 329 LYS A CG   1 
ATOM   68   C  CD   . LYS A 1 10  ? -26.30800 -3.56800  16.94400  1.000 46.46400  ? 329 LYS A CD   1 
ATOM   69   C  CE   . LYS A 1 10  ? -26.77900 -2.29600  17.62400  1.000 49.34710  ? 329 LYS A CE   1 
ATOM   70   N  NZ   . LYS A 1 10  ? -28.20400 -1.99800  17.31100  1.000 87.61468  ? 329 LYS A NZ   1 
ATOM   71   H  H    . LYS A 1 10  ? -23.62300 -4.45700  20.96100  1.000 58.92434  ? 329 LYS A H    1 
ATOM   72   H  HA   . LYS A 1 10  ? -22.90000 -5.27000  18.52200  1.000 60.34616  ? 329 LYS A HA   1 
ATOM   73   H  HB2  . LYS A 1 10  ? -25.17800 -4.89600  18.97000  1.000 47.86562  ? 329 LYS A HB2  1 
ATOM   74   H  HB3  . LYS A 1 10  ? -24.88400 -3.38800  19.23700  1.000 47.86562  ? 329 LYS A HB3  1 
ATOM   75   H  HG2  . LYS A 1 10  ? -24.30800 -3.08100  16.97900  1.000 64.16337  ? 329 LYS A HG2  1 
ATOM   76   H  HG3  . LYS A 1 10  ? -24.54200 -4.59700  16.70000  1.000 64.16337  ? 329 LYS A HG3  1 
ATOM   77   H  HD2  . LYS A 1 10  ? -26.43800 -3.49100  15.98600  1.000 55.80174  ? 329 LYS A HD2  1 
ATOM   78   H  HD3  . LYS A 1 10  ? -26.84800 -4.31600  17.24400  1.000 55.80174  ? 329 LYS A HD3  1 
ATOM   79   H  HE2  . LYS A 1 10  ? -26.67000 -2.38300  18.58400  1.000 59.26147  ? 329 LYS A HE2  1 
ATOM   80   H  HE3  . LYS A 1 10  ? -26.22300 -1.55300  17.34100  1.000 59.26147  ? 329 LYS A HE3  1 
ATOM   81   H  HZ1  . LYS A 1 10  ? -28.34700 -1.12200  17.38300  1.000 105.18257 ? 329 LYS A HZ1  1 
ATOM   82   H  HZ2  . LYS A 1 10  ? -28.38700 -2.26100  16.48100  1.000 105.18257 ? 329 LYS A HZ2  1 
ATOM   83   H  HZ3  . LYS A 1 10  ? -28.73100 -2.43200  17.88200  1.000 105.18257 ? 329 LYS A HZ3  1 
ATOM   84   N  N    . THR A 1 11  ? -21.34000 -3.56100  17.73500  1.000 44.98273  ? 330 THR A N    1 
ATOM   85   C  CA   . THR A 1 11  ? -20.45300 -2.52700  17.22400  1.000 61.49534  ? 330 THR A CA   1 
ATOM   86   C  C    . THR A 1 11  ? -20.74300 -2.30100  15.74600  1.000 43.97611  ? 330 THR A C    1 
ATOM   87   O  O    . THR A 1 11  ? -21.46500 -3.06800  15.10500  1.000 36.15588  ? 330 THR A O    1 
ATOM   88   C  CB   . THR A 1 11  ? -18.97900 -2.90200  17.42800  1.000 51.23106  ? 330 THR A CB   1 
ATOM   89   O  OG1  . THR A 1 11  ? -18.66200 -4.05300  16.63700  1.000 59.15701  ? 330 THR A OG1  1 
ATOM   90   C  CG2  . THR A 1 11  ? -18.70600 -3.21100  18.89300  1.000 69.10326  ? 330 THR A CG2  1 
ATOM   91   H  H    . THR A 1 11  ? -21.22700 -4.32900  17.36500  1.000 54.02423  ? 330 THR A H    1 
ATOM   92   H  HA   . THR A 1 11  ? -20.61600 -1.70800  17.71800  1.000 73.83936  ? 330 THR A HA   1 
ATOM   93   H  HB   . THR A 1 11  ? -18.42800 -2.15200  17.15500  1.000 61.52222  ? 330 THR A HB   1 
ATOM   94   H  HG1  . THR A 1 11  ? -17.87100 -4.28900  16.79000  1.000 71.03336  ? 330 THR A HG1  1 
ATOM   95   H  HG21 . THR A 1 11  ? -17.77200 -3.44600  19.00600  1.000 82.96886  ? 330 THR A HG21 1 
ATOM   96   H  HG22 . THR A 1 11  ? -18.91000 -2.43100  19.43200  1.000 82.96886  ? 330 THR A HG22 1 
ATOM   97   H  HG23 . THR A 1 11  ? -19.26200 -3.95400  19.17600  1.000 82.96886  ? 330 THR A HG23 1 
ATOM   98   N  N    . SER A 1 12  ? -20.16600 -1.23600  15.20000  1.000 45.53460  ? 331 SER A N    1 
ATOM   99   C  CA   . SER A 1 12  ? -20.44600 -0.86300  13.82100  1.000 51.75285  ? 331 SER A CA   1 
ATOM   100  C  C    . SER A 1 12  ? -19.73600 -1.78900  12.84000  1.000 42.31419  ? 331 SER A C    1 
ATOM   101  O  O    . SER A 1 12  ? -18.63300 -2.28000  13.09600  1.000 46.18429  ? 331 SER A O    1 
ATOM   102  C  CB   . SER A 1 12  ? -20.02500 0.58400   13.56200  1.000 65.42749  ? 331 SER A CB   1 
ATOM   103  O  OG   . SER A 1 12  ? -20.29400 0.96000   12.22200  1.000 113.97218 ? 331 SER A OG   1 
ATOM   104  H  H    . SER A 1 12  ? -19.61300 -0.72000  15.60900  1.000 54.68647  ? 331 SER A H    1 
ATOM   105  H  HA   . SER A 1 12  ? -21.40200 -0.94800  13.68300  1.000 62.14836  ? 331 SER A HA   1 
ATOM   106  H  HB2  . SER A 1 12  ? -20.49800 1.17500   14.16800  1.000 78.55794  ? 331 SER A HB2  1 
ATOM   107  H  HB3  . SER A 1 12  ? -19.07800 0.68700   13.74600  1.000 78.55794  ? 331 SER A HB3  1 
ATOM   108  H  HG   . SER A 1 12  ? -20.93200 0.50100   11.92500  1.000 136.81157 ? 331 SER A HG   1 
ATOM   109  N  N    . LEU A 1 13  ? -20.38700 -2.02100  11.70300  1.000 40.73061  ? 332 LEU A N    1 
ATOM   110  C  CA   . LEU A 1 13  ? -19.78600 -2.78300  10.61200  1.000 36.72932  ? 332 LEU A CA   1 
ATOM   111  C  C    . LEU A 1 13  ? -20.45500 -2.35100  9.31400   1.000 33.85295  ? 332 LEU A C    1 
ATOM   112  O  O    . LEU A 1 13  ? -21.61700 -2.69200  9.07200   1.000 35.75864  ? 332 LEU A O    1 
ATOM   113  C  CB   . LEU A 1 13  ? -19.93700 -4.28600  10.83300  1.000 42.10136  ? 332 LEU A CB   1 
ATOM   114  C  CG   . LEU A 1 13  ? -19.40100 -5.15400  9.69000   1.000 39.34237  ? 332 LEU A CG   1 
ATOM   115  C  CD1  . LEU A 1 13  ? -17.92900 -4.85100  9.44400   1.000 44.88811  ? 332 LEU A CD1  1 
ATOM   116  C  CD2  . LEU A 1 13  ? -19.60600 -6.63300  9.97400   1.000 41.93401  ? 332 LEU A CD2  1 
ATOM   117  H  H    . LEU A 1 13  ? -21.18500 -1.74300  11.54300  1.000 48.92168  ? 332 LEU A H    1 
ATOM   118  H  HA   . LEU A 1 13  ? -18.83400 -2.60400  10.57200  1.000 44.12013  ? 332 LEU A HA   1 
ATOM   119  H  HB2  . LEU A 1 13  ? -19.47700 -4.52900  11.65100  1.000 50.56658  ? 332 LEU A HB2  1 
ATOM   120  H  HB3  . LEU A 1 13  ? -20.87600 -4.48900  10.96500  1.000 50.56658  ? 332 LEU A HB3  1 
ATOM   121  H  HG   . LEU A 1 13  ? -19.90200 -4.93800  8.88800   1.000 47.25579  ? 332 LEU A HG   1 
ATOM   122  H  HD11 . LEU A 1 13  ? -17.60100 -5.40600  8.71900   1.000 53.91069  ? 332 LEU A HD11 1 
ATOM   123  H  HD12 . LEU A 1 13  ? -17.82600 -3.91600  9.20700   1.000 53.91069  ? 332 LEU A HD12 1 
ATOM   124  H  HD13 . LEU A 1 13  ? -17.42100 -5.03800  10.24900  1.000 53.91069  ? 332 LEU A HD13 1 
ATOM   125  H  HD21 . LEU A 1 13  ? -19.25800 -7.15600  9.23500   1.000 50.36576  ? 332 LEU A HD21 1 
ATOM   126  H  HD22 . LEU A 1 13  ? -19.13800 -6.87400  10.78900  1.000 50.36576  ? 332 LEU A HD22 1 
ATOM   127  H  HD23 . LEU A 1 13  ? -20.55300 -6.81400  10.08000  1.000 50.36576  ? 332 LEU A HD23 1 
ATOM   128  N  N    . ARG A 1 14  ? -19.72300 -1.60400  8.49000   1.000 48.87763  ? 333 ARG A N    1 
ATOM   129  C  CA   . ARG A 1 14  ? -20.20800 -1.17000  7.18600   1.000 37.41232  ? 333 ARG A CA   1 
ATOM   130  C  C    . ARG A 1 14  ? -19.80500 -2.18700  6.12800   1.000 31.61641  ? 333 ARG A C    1 
ATOM   131  O  O    . ARG A 1 14  ? -18.62800 -2.54300  6.01700   1.000 60.76828  ? 333 ARG A O    1 
ATOM   132  C  CB   . ARG A 1 14  ? -19.65800 0.21100   6.83000   1.000 53.19525  ? 333 ARG A CB   1 
ATOM   133  C  CG   . ARG A 1 14  ? -20.09100 1.31500   7.77700   1.000 92.48827  ? 333 ARG A CG   1 
ATOM   134  C  CD   . ARG A 1 14  ? -19.93000 2.68200   7.13500   1.000 124.01937 ? 333 ARG A CD   1 
ATOM   135  N  NE   . ARG A 1 14  ? -20.66600 2.77500   5.88000   1.000 124.89975 ? 333 ARG A NE   1 
ATOM   136  C  CZ   . ARG A 1 14  ? -21.95700 3.06200   5.78700   1.000 116.04380 ? 333 ARG A CZ   1 
ATOM   137  N  NH1  . ARG A 1 14  ? -22.69300 3.29200   6.86200   1.000 115.47788 ? 333 ARG A NH1  1 
ATOM   138  N  NH2  . ARG A 1 14  ? -22.52500 3.11800   4.58600   1.000 106.14082 ? 333 ARG A NH2  1 
ATOM   139  H  H    . ARG A 1 14  ? -18.92700 -1.33400  8.67400   1.000 58.69810  ? 333 ARG A H    1 
ATOM   140  H  HA   . ARG A 1 14  ? -21.17500 -1.10700  7.22000   1.000 44.93973  ? 333 ARG A HA   1 
ATOM   141  H  HB2  . ARG A 1 14  ? -18.68900 0.16900   6.81900   1.000 63.87925  ? 333 ARG A HB2  1 
ATOM   142  H  HB3  . ARG A 1 14  ? -19.94200 0.44000   5.93100   1.000 63.87925  ? 333 ARG A HB3  1 
ATOM   143  H  HG2  . ARG A 1 14  ? -21.01700 1.18100   8.03200   1.000 111.03088 ? 333 ARG A HG2  1 
ATOM   144  H  HG3  . ARG A 1 14  ? -19.56400 1.27200   8.59000   1.000 111.03088 ? 333 ARG A HG3  1 
ATOM   145  H  HD2  . ARG A 1 14  ? -20.24400 3.36700   7.74600   1.000 148.86819 ? 333 ARG A HD2  1 
ATOM   146  H  HD3  . ARG A 1 14  ? -18.98900 2.85600   6.97300   1.000 148.86819 ? 333 ARG A HD3  1 
ATOM   147  H  HE   . ARG A 1 14  ? -20.23300 2.63400   5.15000   1.000 149.92464 ? 333 ARG A HE   1 
ATOM   148  H  HH11 . ARG A 1 14  ? -22.33600 3.25700   7.64300   1.000 138.61840 ? 333 ARG A HH11 1 
ATOM   149  H  HH12 . ARG A 1 14  ? -23.52900 3.47700   6.77900   1.000 138.61840 ? 333 ARG A HH12 1 
ATOM   150  H  HH21 . ARG A 1 14  ? -22.05600 2.96900   3.88100   1.000 127.41393 ? 333 ARG A HH21 1 
ATOM   151  H  HH22 . ARG A 1 14  ? -23.36200 3.30300   4.51400   1.000 127.41393 ? 333 ARG A HH22 1 
ATOM   152  N  N    . VAL A 1 15  ? -20.78100 -2.64300  5.34800   1.000 39.56130  ? 334 VAL A N    1 
ATOM   153  C  CA   . VAL A 1 15  ? -20.58100 -3.70200  4.36500   1.000 41.89311  ? 334 VAL A CA   1 
ATOM   154  C  C    . VAL A 1 15  ? -20.78700 -3.12300  2.97200   1.000 40.94023  ? 334 VAL A C    1 
ATOM   155  O  O    . VAL A 1 15  ? -21.88200 -2.65000  2.64200   1.000 47.96961  ? 334 VAL A O    1 
ATOM   156  C  CB   . VAL A 1 15  ? -21.52900 -4.88300  4.61500   1.000 42.36011  ? 334 VAL A CB   1 
ATOM   157  C  CG1  . VAL A 1 15  ? -21.39900 -5.91200  3.50000   1.000 42.67342  ? 334 VAL A CG1  1 
ATOM   158  C  CG2  . VAL A 1 15  ? -21.24000 -5.50800  5.96700   1.000 44.15079  ? 334 VAL A CG2  1 
ATOM   159  H  H    . VAL A 1 15  ? -21.58600 -2.34300  5.37500   1.000 47.51850  ? 334 VAL A H    1 
ATOM   160  H  HA   . VAL A 1 15  ? -19.67700 -4.04400  4.44400   1.000 50.31668  ? 334 VAL A HA   1 
ATOM   161  H  HB   . VAL A 1 15  ? -22.44300 -4.55800  4.61900   1.000 50.87708  ? 334 VAL A HB   1 
ATOM   162  H  HG11 . VAL A 1 15  ? -22.00300 -6.65200  3.67000   1.000 51.25306  ? 334 VAL A HG11 1 
ATOM   163  H  HG12 . VAL A 1 15  ? -21.62400 -5.50000  2.65100   1.000 51.25306  ? 334 VAL A HG12 1 
ATOM   164  H  HG13 . VAL A 1 15  ? -20.48700 -6.24000  3.46700   1.000 51.25306  ? 334 VAL A HG13 1 
ATOM   165  H  HG21 . VAL A 1 15  ? -21.84400 -6.25300  6.11500   1.000 53.02590  ? 334 VAL A HG21 1 
ATOM   166  H  HG22 . VAL A 1 15  ? -20.32400 -5.82600  5.98700   1.000 53.02590  ? 334 VAL A HG22 1 
ATOM   167  H  HG23 . VAL A 1 15  ? -21.36700 -4.84500  6.66400   1.000 53.02590  ? 334 VAL A HG23 1 
ATOM   168  N  N    . ASN A 1 16  ? -19.73800 -3.16600  2.15200   1.000 48.72423  ? 335 ASN A N    1 
ATOM   169  C  CA   . ASN A 1 16  ? -19.82500 -2.77900  0.74900   1.000 46.19438  ? 335 ASN A CA   1 
ATOM   170  C  C    . ASN A 1 16  ? -20.16900 -4.01400  -0.07700  1.000 40.37501  ? 335 ASN A C    1 
ATOM   171  O  O    . ASN A 1 16  ? -19.42600 -5.00200  -0.06200  1.000 41.59513  ? 335 ASN A O    1 
ATOM   172  C  CB   . ASN A 1 16  ? -18.51200 -2.15400  0.27800   1.000 46.80799  ? 335 ASN A CB   1 
ATOM   173  C  CG   . ASN A 1 16  ? -18.63900 -1.46000  -1.06800  1.000 71.82428  ? 335 ASN A CG   1 
ATOM   174  O  OD1  . ASN A 1 16  ? -19.26200 -1.97700  -1.99500  1.000 57.06009  ? 335 ASN A OD1  1 
ATOM   175  N  ND2  . ASN A 1 16  ? -18.04700 -0.27600  -1.17900  1.000 72.85273  ? 335 ASN A ND2  1 
ATOM   176  H  H    . ASN A 1 16  ? -18.95400 -3.42200  2.39700   1.000 58.51403  ? 335 ASN A H    1 
ATOM   177  H  HA   . ASN A 1 16  ? -20.52000 -2.11100  0.63600   1.000 55.47820  ? 335 ASN A HA   1 
ATOM   178  H  HB2  . ASN A 1 16  ? -18.20800 -1.51300  0.94000   1.000 56.21454  ? 335 ASN A HB2  1 
ATOM   179  H  HB3  . ASN A 1 16  ? -17.83300 -2.84400  0.21800   1.000 56.21454  ? 335 ASN A HB3  1 
ATOM   180  H  HD21 . ASN A 1 16  ? -18.09100 0.15900   -1.92000  1.000 87.46823  ? 335 ASN A HD21 1 
ATOM   181  H  HD22 . ASN A 1 16  ? -17.62000 0.05600   -0.51000  1.000 87.46823  ? 335 ASN A HD22 1 
ATOM   182  N  N    . PHE A 1 17  ? -21.29500 -3.95600  -0.79400  1.000 35.48755  ? 336 PHE A N    1 
ATOM   183  C  CA   . PHE A 1 17  ? -21.77700 -5.12100  -1.53100  1.000 35.25283  ? 336 PHE A CA   1 
ATOM   184  C  C    . PHE A 1 17  ? -20.83100 -5.54800  -2.64700  1.000 43.79962  ? 336 PHE A C    1 
ATOM   185  O  O    . PHE A 1 17  ? -20.84200 -6.71900  -3.03900  1.000 43.33435  ? 336 PHE A O    1 
ATOM   186  C  CB   . PHE A 1 17  ? -23.16800 -4.84000  -2.10100  1.000 37.66457  ? 336 PHE A CB   1 
ATOM   187  C  CG   . PHE A 1 17  ? -24.27500 -4.99200  -1.09600  1.000 35.86170  ? 336 PHE A CG   1 
ATOM   188  C  CD1  . PHE A 1 17  ? -24.23100 -6.00000  -0.14700  1.000 61.83512  ? 336 PHE A CD1  1 
ATOM   189  C  CD2  . PHE A 1 17  ? -25.35400 -4.12600  -1.09700  1.000 43.45595  ? 336 PHE A CD2  1 
ATOM   190  C  CE1  . PHE A 1 17  ? -25.24700 -6.14400  0.78000   1.000 56.24693  ? 336 PHE A CE1  1 
ATOM   191  C  CE2  . PHE A 1 17  ? -26.37300 -4.26400  -0.17200  1.000 56.36790  ? 336 PHE A CE2  1 
ATOM   192  C  CZ   . PHE A 1 17  ? -26.31900 -5.27400  0.76800   1.000 39.83775  ? 336 PHE A CZ   1 
ATOM   193  H  H    . PHE A 1 17  ? -21.78900 -3.25600  -0.86500  1.000 42.36032  ? 336 PHE A H    1 
ATOM   194  H  HA   . PHE A 1 17  ? -21.82000 -5.85700  -0.90100  1.000 42.07866  ? 336 PHE A HA   1 
ATOM   195  H  HB2  . PHE A 1 17  ? -23.18700 -3.93800  -2.45700  1.000 45.24243  ? 336 PHE A HB2  1 
ATOM   196  H  HB3  . PHE A 1 17  ? -23.33200 -5.44200  -2.84400  1.000 45.24243  ? 336 PHE A HB3  1 
ATOM   197  H  HD1  . PHE A 1 17  ? -23.51000 -6.58700  -0.13300  1.000 74.24709  ? 336 PHE A HD1  1 
ATOM   198  H  HD2  . PHE A 1 17  ? -25.39500 -3.44300  -1.72700  1.000 52.19209  ? 336 PHE A HD2  1 
ATOM   199  H  HE1  . PHE A 1 17  ? -25.20800 -6.82600  1.41100   1.000 67.54126  ? 336 PHE A HE1  1 
ATOM   200  H  HE2  . PHE A 1 17  ? -27.09400 -3.67700  -0.18300  1.000 67.68643  ? 336 PHE A HE2  1 
ATOM   201  H  HZ   . PHE A 1 17  ? -27.00300 -5.36800  1.39100   1.000 47.85025  ? 336 PHE A HZ   1 
ATOM   202  N  N    . GLU A 1 18  ? -20.02500 -4.63900  -3.17700  1.000 52.41786  ? 337 GLU A N    1 
ATOM   203  C  CA   . GLU A 1 18  ? -19.05300 -5.03900  -4.22100  1.000 43.63623  ? 337 GLU A CA   1 
ATOM   204  C  C    . GLU A 1 18  ? -17.95400 -5.90100  -3.59100  1.000 72.33347  ? 337 GLU A C    1 
ATOM   205  O  O    . GLU A 1 18  ? -17.66900 -6.97800  -4.13600  1.000 54.55066  ? 337 GLU A O    1 
ATOM   206  C  CB   . GLU A 1 18  ? -18.49300 -3.80300  -4.91600  1.000 47.40792  ? 337 GLU A CB   1 
ATOM   207  C  CG   . GLU A 1 18  ? -17.33400 -4.10000  -5.84200  1.000 86.86895  ? 337 GLU A CG   1 
ATOM   208  C  CD   . GLU A 1 18  ? -16.67200 -2.85400  -6.39800  1.000 110.98078 ? 337 GLU A CD   1 
ATOM   209  O  OE1  . GLU A 1 18  ? -17.04000 -1.74700  -5.95900  1.000 111.42568 ? 337 GLU A OE1  1 
ATOM   210  O  OE2  . GLU A 1 18  ? -15.79400 -2.99300  -7.26800  1.000 112.57487 ? 337 GLU A OE2  1 
ATOM   211  H  H    . GLU A 1 18  ? -20.01300 -3.80600  -2.96300  1.000 62.94637  ? 337 GLU A H    1 
ATOM   212  H  HA   . GLU A 1 18  ? -19.49400 -5.57200  -4.90100  1.000 52.40843  ? 337 GLU A HA   1 
ATOM   213  H  HB2  . GLU A 1 18  ? -19.20200 -3.37800  -5.42400  1.000 56.66477  ? 337 GLU A HB2  1 
ATOM   214  H  HB3  . GLU A 1 18  ? -18.20500 -3.16600  -4.24400  1.000 56.66477  ? 337 GLU A HB3  1 
ATOM   215  H  HG2  . GLU A 1 18  ? -16.67200 -4.62300  -5.36300  1.000 104.28769 ? 337 GLU A HG2  1 
ATOM   216  H  HG3  . GLU A 1 18  ? -17.64900 -4.64700  -6.57900  1.000 104.28769 ? 337 GLU A HG3  1 
ATOM   217  N  N    . ASP A 1 19  ? -17.40100 -5.45900  -2.46400  1.000 61.46641  ? 338 ASP A N    1 
ATOM   218  C  CA   . ASP A 1 19  ? -16.33400 -6.21000  -1.81100  1.000 70.18598  ? 338 ASP A CA   1 
ATOM   219  C  C    . ASP A 1 19  ? -16.70300 -7.66500  -1.55800  1.000 46.36805  ? 338 ASP A C    1 
ATOM   220  O  O    . ASP A 1 19  ? -15.82300 -8.53100  -1.56900  1.000 54.26293  ? 338 ASP A O    1 
ATOM   221  C  CB   . ASP A 1 19  ? -15.95300 -5.53600  -0.49400  1.000 62.27525  ? 338 ASP A CB   1 
ATOM   222  C  CG   . ASP A 1 19  ? -15.38000 -4.16100  -0.69800  1.000 74.44339  ? 338 ASP A CG   1 
ATOM   223  O  OD1  . ASP A 1 19  ? -15.24500 -3.74600  -1.87000  1.000 80.14143  ? 338 ASP A OD1  1 
ATOM   224  O  OD2  . ASP A 1 19  ? -15.06900 -3.49300  0.31000   1.000 73.97650  ? 338 ASP A OD2  1 
ATOM   225  H  H    . ASP A 1 19  ? -17.62800 -4.73200  -2.06400  1.000 73.80464  ? 338 ASP A H    1 
ATOM   226  H  HA   . ASP A 1 19  ? -15.57700 -6.21000  -2.41800  1.000 84.26812  ? 338 ASP A HA   1 
ATOM   227  H  HB2  . ASP A 1 19  ? -16.73700 -5.47600  0.07400   1.000 74.77525  ? 338 ASP A HB2  1 
ATOM   228  H  HB3  . ASP A 1 19  ? -15.30600 -6.08700  -0.02700  1.000 74.77525  ? 338 ASP A HB3  1 
ATOM   229  N  N    . ILE A 1 20  ? -17.98400 -7.96200  -1.33000  1.000 48.15489  ? 339 ILE A N    1 
ATOM   230  C  CA   . ILE A 1 20  ? -18.41900 -9.33300  -1.07300  1.000 42.04667  ? 339 ILE A CA   1 
ATOM   231  C  C    . ILE A 1 20  ? -19.03100 -9.98500  -2.31200  1.000 63.04286  ? 339 ILE A C    1 
ATOM   232  O  O    . ILE A 1 20  ? -19.61200 -11.07200 -2.21400  1.000 42.49202  ? 339 ILE A O    1 
ATOM   233  C  CB   . ILE A 1 20  ? -19.39100 -9.39900  0.11700   1.000 41.07512  ? 339 ILE A CB   1 
ATOM   234  C  CG1  . ILE A 1 20  ? -20.75900 -8.83300  -0.26600  1.000 60.63398  ? 339 ILE A CG1  1 
ATOM   235  C  CG2  . ILE A 1 20  ? -18.82100 -8.64400  1.30600   1.000 39.25730  ? 339 ILE A CG2  1 
ATOM   236  C  CD1  . ILE A 1 20  ? -21.81300 -9.03500  0.79500   1.000 47.48378  ? 339 ILE A CD1  1 
ATOM   237  H  H    . ILE A 1 20  ? -18.61700 -7.38000  -1.32000  1.000 57.83082  ? 339 ILE A H    1 
ATOM   238  H  HA   . ILE A 1 20  ? -17.62500 -9.84000  -0.84300  1.000 50.50095  ? 339 ILE A HA   1 
ATOM   239  H  HB   . ILE A 1 20  ? -19.50600 -10.33000 0.36400   1.000 49.33509  ? 339 ILE A HB   1 
ATOM   240  H  HG12 . ILE A 1 20  ? -20.66900 -7.88400  -0.44600  1.000 72.80572  ? 339 ILE A HG12 1 
ATOM   241  H  HG13 . ILE A 1 20  ? -21.05500 -9.25100  -1.09000  1.000 72.80572  ? 339 ILE A HG13 1 
ATOM   242  H  HG21 . ILE A 1 20  ? -19.44300 -8.69300  2.04900   1.000 47.15371  ? 339 ILE A HG21 1 
ATOM   243  H  HG22 . ILE A 1 20  ? -17.97500 -9.04100  1.56600   1.000 47.15371  ? 339 ILE A HG22 1 
ATOM   244  H  HG23 . ILE A 1 20  ? -18.68100 -7.71500  1.06300   1.000 47.15371  ? 339 ILE A HG23 1 
ATOM   245  H  HD11 . ILE A 1 20  ? -22.65300 -8.65600  0.49300   1.000 57.02548  ? 339 ILE A HD11 1 
ATOM   246  H  HD12 . ILE A 1 20  ? -21.92800 -9.98400  0.96100   1.000 57.02548  ? 339 ILE A HD12 1 
ATOM   247  H  HD13 . ILE A 1 20  ? -21.53600 -8.59500  1.61400   1.000 57.02548  ? 339 ILE A HD13 1 
ATOM   248  N  N    . GLY A 1 21  ? -18.91300 -9.35000  -3.47600  1.000 42.32698  ? 340 GLY A N    1 
ATOM   249  C  CA   . GLY A 1 21  ? -19.37300 -9.95900  -4.70800  1.000 52.55541  ? 340 GLY A CA   1 
ATOM   250  C  C    . GLY A 1 21  ? -20.87200 -10.03800 -4.89200  1.000 51.14476  ? 340 GLY A C    1 
ATOM   251  O  O    . GLY A 1 21  ? -21.34000 -10.82700 -5.71800  1.000 60.02351  ? 340 GLY A O    1 
ATOM   252  H  H    . GLY A 1 21  ? -18.56900 -8.56700  -3.56800  1.000 50.83733  ? 340 GLY A H    1 
ATOM   253  H  HA2  . GLY A 1 21  ? -19.00000 -9.46100  -5.45200  1.000 63.11144  ? 340 GLY A HA2  1 
ATOM   254  H  HA3  . GLY A 1 21  ? -19.01100 -10.85800 -4.75800  1.000 63.11144  ? 340 GLY A HA3  1 
ATOM   255  N  N    . TRP A 1 22  ? -21.64800 -9.24600  -4.15500  1.000 38.56811  ? 341 TRP A N    1 
ATOM   256  C  CA   . TRP A 1 22  ? -23.09700 -9.24200  -4.31900  1.000 57.56688  ? 341 TRP A CA   1 
ATOM   257  C  C    . TRP A 1 22  ? -23.58300 -8.15500  -5.27000  1.000 76.91271  ? 341 TRP A C    1 
ATOM   258  O  O    . TRP A 1 22  ? -24.77900 -8.10600  -5.57300  1.000 56.01553  ? 341 TRP A O    1 
ATOM   259  C  CB   . TRP A 1 22  ? -23.79000 -9.09700  -2.95900  1.000 45.69823  ? 341 TRP A CB   1 
ATOM   260  C  CG   . TRP A 1 22  ? -23.89100 -10.39300 -2.20700  1.000 66.69617  ? 341 TRP A CG   1 
ATOM   261  C  CD1  . TRP A 1 22  ? -23.20600 -11.54500 -2.46900  1.000 41.96530  ? 341 TRP A CD1  1 
ATOM   262  C  CD2  . TRP A 1 22  ? -24.73400 -10.67600 -1.08100  1.000 37.52369  ? 341 TRP A CD2  1 
ATOM   263  N  NE1  . TRP A 1 22  ? -23.56400 -12.52300 -1.57200  1.000 60.31073  ? 341 TRP A NE1  1 
ATOM   264  C  CE2  . TRP A 1 22  ? -24.50200 -12.01600 -0.71100  1.000 43.72455  ? 341 TRP A CE2  1 
ATOM   265  C  CE3  . TRP A 1 22  ? -25.66000 -9.92500  -0.34900  1.000 54.32669  ? 341 TRP A CE3  1 
ATOM   266  C  CZ2  . TRP A 1 22  ? -25.16100 -12.62200 0.35900   1.000 42.15655  ? 341 TRP A CZ2  1 
ATOM   267  C  CZ3  . TRP A 1 22  ? -26.31400 -10.52900 0.71400   1.000 45.52915  ? 341 TRP A CZ3  1 
ATOM   268  C  CH2  . TRP A 1 22  ? -26.06100 -11.86400 1.05700   1.000 44.92299  ? 341 TRP A CH2  1 
ATOM   269  H  H    . TRP A 1 22  ? -21.35400 -8.70400  -3.55500  1.000 46.05699  ? 341 TRP A H    1 
ATOM   270  H  HA   . TRP A 1 22  ? -23.33300 -10.09500 -4.71700  1.000 69.12521  ? 341 TRP A HA   1 
ATOM   271  H  HB2  . TRP A 1 22  ? -23.30200 -8.45400  -2.42100  1.000 54.88282  ? 341 TRP A HB2  1 
ATOM   272  H  HB3  . TRP A 1 22  ? -24.68100 -8.73700  -3.09300  1.000 54.88282  ? 341 TRP A HB3  1 
ATOM   273  H  HD1  . TRP A 1 22  ? -22.58700 -11.65200 -3.15500  1.000 50.40330  ? 341 TRP A HD1  1 
ATOM   274  H  HE1  . TRP A 1 22  ? -23.25000 -13.32300 -1.55400  1.000 72.41782  ? 341 TRP A HE1  1 
ATOM   275  H  HE3  . TRP A 1 22  ? -25.83300 -9.03900  -0.57100  1.000 65.23698  ? 341 TRP A HE3  1 
ATOM   276  H  HZ2  . TRP A 1 22  ? -24.99500 -13.50800 0.58900   1.000 50.63281  ? 341 TRP A HZ2  1 
ATOM   277  H  HZ3  . TRP A 1 22  ? -26.93100 -10.04000 1.20800   1.000 54.67993  ? 341 TRP A HZ3  1 
ATOM   278  H  HH2  . TRP A 1 22  ? -26.51500 -12.24300 1.77500   1.000 53.95254  ? 341 TRP A HH2  1 
ATOM   279  N  N    . ASP A 1 23  ? -22.68300 -7.30200  -5.76600  1.000 74.19452  ? 342 ASP A N    1 
ATOM   280  C  CA   . ASP A 1 23  ? -23.06000 -6.29000  -6.74500  1.000 87.36615  ? 342 ASP A CA   1 
ATOM   281  C  C    . ASP A 1 23  ? -23.51100 -6.89700  -8.06600  1.000 69.46033  ? 342 ASP A C    1 
ATOM   282  O  O    . ASP A 1 23  ? -24.16400 -6.20900  -8.85600  1.000 72.74964  ? 342 ASP A O    1 
ATOM   283  C  CB   . ASP A 1 23  ? -21.89500 -5.33200  -6.99000  1.000 72.10414  ? 342 ASP A CB   1 
ATOM   284  C  CG   . ASP A 1 23  ? -20.63900 -6.04900  -7.44000  1.000 101.17041 ? 342 ASP A CG   1 
ATOM   285  O  OD1  . ASP A 1 23  ? -20.53600 -7.27900  -7.21900  1.000 77.85644  ? 342 ASP A OD1  1 
ATOM   286  O  OD2  . ASP A 1 23  ? -19.75000 -5.37700  -8.00600  1.000 99.66836  ? 342 ASP A OD2  1 
ATOM   287  H  H    . ASP A 1 23  ? -21.85100 -7.29600  -5.54700  1.000 89.07837  ? 342 ASP A H    1 
ATOM   288  H  HA   . ASP A 1 23  ? -23.81400 -5.80500  -6.37400  1.000 104.88433 ? 342 ASP A HA   1 
ATOM   289  H  HB2  . ASP A 1 23  ? -22.15100 -4.68200  -7.66200  1.000 86.56992  ? 342 ASP A HB2  1 
ATOM   290  H  HB3  . ASP A 1 23  ? -21.70800 -4.83900  -6.17500  1.000 86.56992  ? 342 ASP A HB3  1 
ATOM   291  N  N    . SER A 1 24  ? -23.18400 -8.16300  -8.32500  1.000 83.41122  ? 343 SER A N    1 
ATOM   292  C  CA   . SER A 1 24  ? -23.67100 -8.79700  -9.54200  1.000 121.52513 ? 343 SER A CA   1 
ATOM   293  C  C    . SER A 1 24  ? -25.19200 -8.89300  -9.56600  1.000 67.67408  ? 343 SER A C    1 
ATOM   294  O  O    . SER A 1 24  ? -25.77300 -9.06700  -10.64200 1.000 88.61871  ? 343 SER A O    1 
ATOM   295  C  CB   . SER A 1 24  ? -23.03900 -10.18300 -9.71000  1.000 73.48348  ? 343 SER A CB   1 
ATOM   296  O  OG   . SER A 1 24  ? -23.09200 -10.93300 -8.51000  1.000 105.18286 ? 343 SER A OG   1 
ATOM   297  H  H    . SER A 1 24  ? -22.69400 -8.65900  -7.82200  1.000 100.13841 ? 343 SER A H    1 
ATOM   298  H  HA   . SER A 1 24  ? -23.40700 -8.23800  -10.28900 1.000 145.87510 ? 343 SER A HA   1 
ATOM   299  H  HB2  . SER A 1 24  ? -23.50000 -10.66600 -10.41400 1.000 88.22513  ? 343 SER A HB2  1 
ATOM   300  H  HB3  . SER A 1 24  ? -22.11600 -10.08600 -9.99000  1.000 88.22513  ? 343 SER A HB3  1 
ATOM   301  H  HG   . SER A 1 24  ? -22.43500 -10.73500 -8.02600  1.000 126.26438 ? 343 SER A HG   1 
ATOM   302  N  N    . TRP A 1 25  ? -25.85300 -8.76100  -8.41400  1.000 77.81696  ? 344 TRP A N    1 
ATOM   303  C  CA   . TRP A 1 25  ? -27.30400 -8.85000  -8.37500  1.000 75.81763  ? 344 TRP A CA   1 
ATOM   304  C  C    . TRP A 1 25  ? -27.97300 -7.77100  -7.53000  1.000 81.81951  ? 344 TRP A C    1 
ATOM   305  O  O    . TRP A 1 25  ? -29.20500 -7.74100  -7.47500  1.000 88.76434  ? 344 TRP A O    1 
ATOM   306  C  CB   . TRP A 1 25  ? -27.73900 -10.23900 -7.87100  1.000 64.20620  ? 344 TRP A CB   1 
ATOM   307  C  CG   . TRP A 1 25  ? -27.59800 -10.44000 -6.38400  1.000 78.34494  ? 344 TRP A CG   1 
ATOM   308  C  CD1  . TRP A 1 25  ? -26.43800 -10.62600 -5.68600  1.000 118.29185 ? 344 TRP A CD1  1 
ATOM   309  C  CD2  . TRP A 1 25  ? -28.65900 -10.49600 -5.41900  1.000 67.39610  ? 344 TRP A CD2  1 
ATOM   310  N  NE1  . TRP A 1 25  ? -26.71100 -10.78300 -4.34600  1.000 79.75650  ? 344 TRP A NE1  1 
ATOM   311  C  CE2  . TRP A 1 25  ? -28.06700 -10.70800 -4.15700  1.000 74.34185  ? 344 TRP A CE2  1 
ATOM   312  C  CE3  . TRP A 1 25  ? -30.05100 -10.38200 -5.50000  1.000 111.23477 ? 344 TRP A CE3  1 
ATOM   313  C  CZ2  . TRP A 1 25  ? -28.81800 -10.80700 -2.98500  1.000 104.89550 ? 344 TRP A CZ2  1 
ATOM   314  C  CZ3  . TRP A 1 25  ? -30.79600 -10.48300 -4.33700  1.000 77.02508  ? 344 TRP A CZ3  1 
ATOM   315  C  CH2  . TRP A 1 25  ? -30.17800 -10.69200 -3.09500  1.000 106.91742 ? 344 TRP A CH2  1 
ATOM   316  H  H    . TRP A 1 25  ? -25.47900 -8.62100  -7.65200  1.000 93.42530  ? 344 TRP A H    1 
ATOM   317  H  HA   . TRP A 1 25  ? -27.60000 -8.70800  -9.28800  1.000 91.02611  ? 344 TRP A HA   1 
ATOM   318  H  HB2  . TRP A 1 25  ? -28.66600 -10.38400 -8.11900  1.000 77.09239  ? 344 TRP A HB2  1 
ATOM   319  H  HB3  . TRP A 1 25  ? -27.21400 -10.91500 -8.32800  1.000 77.09239  ? 344 TRP A HB3  1 
ATOM   320  H  HD1  . TRP A 1 25  ? -25.58700 -10.64400 -6.06200  1.000 141.99517 ? 344 TRP A HD1  1 
ATOM   321  H  HE1  . TRP A 1 25  ? -26.12600 -10.90800 -3.72800  1.000 95.75275  ? 344 TRP A HE1  1 
ATOM   322  H  HE3  . TRP A 1 25  ? -30.46800 -10.24100 -6.31900  1.000 133.52668 ? 344 TRP A HE3  1 
ATOM   323  H  HZ2  . TRP A 1 25  ? -28.41000 -10.94600 -2.16100  1.000 125.91955 ? 344 TRP A HZ2  1 
ATOM   324  H  HZ3  . TRP A 1 25  ? -31.72200 -10.41100 -4.38000  1.000 92.47504  ? 344 TRP A HZ3  1 
ATOM   325  H  HH2  . TRP A 1 25  ? -30.70300 -10.75400 -2.33000  1.000 128.34585 ? 344 TRP A HH2  1 
ATOM   326  N  N    . ILE A 1 26  ? -27.21900 -6.88700  -6.88300  1.000 54.27682  ? 345 ILE A N    1 
ATOM   327  C  CA   . ILE A 1 26  ? -27.78200 -5.81400  -6.07200  1.000 67.00791  ? 345 ILE A CA   1 
ATOM   328  C  C    . ILE A 1 26  ? -27.34900 -4.49100  -6.68600  1.000 64.22167  ? 345 ILE A C    1 
ATOM   329  O  O    . ILE A 1 26  ? -26.15100 -4.17600  -6.72300  1.000 80.29461  ? 345 ILE A O    1 
ATOM   330  C  CB   . ILE A 1 26  ? -27.34900 -5.90500  -4.60000  1.000 47.52574  ? 345 ILE A CB   1 
ATOM   331  C  CG1  . ILE A 1 26  ? -28.15500 -6.99000  -3.88400  1.000 61.79658  ? 345 ILE A CG1  1 
ATOM   332  C  CG2  . ILE A 1 26  ? -27.53800 -4.56800  -3.90600  1.000 64.26729  ? 345 ILE A CG2  1 
ATOM   333  C  CD1  . ILE A 1 26  ? -27.73000 -7.23600  -2.46100  1.000 55.76630  ? 345 ILE A CD1  1 
ATOM   334  H  H    . ILE A 1 26  ? -26.35900 -6.89400  -6.90300  1.000 65.17713  ? 345 ILE A H    1 
ATOM   335  H  HA   . ILE A 1 26  ? -28.74900 -5.89000  -6.07000  1.000 80.45443  ? 345 ILE A HA   1 
ATOM   336  H  HB   . ILE A 1 26  ? -26.40800 -6.13700  -4.56700  1.000 57.07583  ? 345 ILE A HB   1 
ATOM   337  H  HG12 . ILE A 1 26  ? -29.09200 -6.74100  -3.89300  1.000 74.20084  ? 345 ILE A HG12 1 
ATOM   338  H  HG13 . ILE A 1 26  ? -28.07700 -7.81900  -4.38200  1.000 74.20084  ? 345 ILE A HG13 1 
ATOM   339  H  HG21 . ILE A 1 26  ? -27.26100 -4.64200  -2.97900  1.000 77.16570  ? 345 ILE A HG21 1 
ATOM   340  H  HG22 . ILE A 1 26  ? -27.00100 -3.89400  -4.35100  1.000 77.16570  ? 345 ILE A HG22 1 
ATOM   341  H  HG23 . ILE A 1 26  ? -28.47300 -4.31300  -3.94400  1.000 77.16570  ? 345 ILE A HG23 1 
ATOM   342  H  HD11 . ILE A 1 26  ? -28.28300 -7.93300  -2.07400  1.000 66.96451  ? 345 ILE A HD11 1 
ATOM   343  H  HD12 . ILE A 1 26  ? -26.80100 -7.51400  -2.44400  1.000 66.96451  ? 345 ILE A HD12 1 
ATOM   344  H  HD13 . ILE A 1 26  ? -27.83200 -6.42000  -1.94700  1.000 66.96451  ? 345 ILE A HD13 1 
ATOM   345  N  N    . ILE A 1 27  ? -28.32400 -3.74200  -7.20000  1.000 66.93911  ? 346 ILE A N    1 
ATOM   346  C  CA   . ILE A 1 27  ? -28.04800 -2.42400  -7.75500  1.000 59.73447  ? 346 ILE A CA   1 
ATOM   347  C  C    . ILE A 1 27  ? -27.78600 -1.42600  -6.64000  1.000 73.33392  ? 346 ILE A C    1 
ATOM   348  O  O    . ILE A 1 27  ? -26.84300 -0.62600  -6.70700  1.000 55.11998  ? 346 ILE A O    1 
ATOM   349  C  CB   . ILE A 1 27  ? -29.22100 -1.96800  -8.63600  1.000 60.36693  ? 346 ILE A CB   1 
ATOM   350  C  CG1  . ILE A 1 27  ? -29.62200 -3.08300  -9.59700  1.000 70.59591  ? 346 ILE A CG1  1 
ATOM   351  C  CG2  . ILE A 1 27  ? -28.86200 -0.67800  -9.35600  1.000 85.18383  ? 346 ILE A CG2  1 
ATOM   352  C  CD1  . ILE A 1 27  ? -31.01500 -2.91900  -10.12300 1.000 82.35383  ? 346 ILE A CD1  1 
ATOM   353  H  H    . ILE A 1 27  ? -29.14900 -3.98100  -7.23600  1.000 80.37188  ? 346 ILE A H    1 
ATOM   354  H  HA   . ILE A 1 27  ? -27.25200 -2.47400  -8.30700  1.000 71.72631  ? 346 ILE A HA   1 
ATOM   355  H  HB   . ILE A 1 27  ? -29.99400 -1.78000  -8.08000  1.000 72.21557  ? 346 ILE A HB   1 
ATOM   356  H  HG12 . ILE A 1 27  ? -29.00000 -3.10300  -10.34100 1.000 84.76004  ? 346 ILE A HG12 1 
ATOM   357  H  HG13 . ILE A 1 27  ? -29.55000 -3.93700  -9.14300  1.000 84.76004  ? 346 ILE A HG13 1 
ATOM   358  H  HG21 . ILE A 1 27  ? -29.60800 -0.39800  -9.90900  1.000 102.26554 ? 346 ILE A HG21 1 
ATOM   359  H  HG22 . ILE A 1 27  ? -28.66600 0.01300   -8.70400  1.000 102.26554 ? 346 ILE A HG22 1 
ATOM   360  H  HG23 . ILE A 1 27  ? -28.08300 -0.82500  -9.91500  1.000 102.26554 ? 346 ILE A HG23 1 
ATOM   361  H  HD11 . ILE A 1 27  ? -31.22100 -3.65000  -10.72700 1.000 98.86954  ? 346 ILE A HD11 1 
ATOM   362  H  HD12 . ILE A 1 27  ? -31.64300 -2.92400  -9.38400  1.000 98.86954  ? 346 ILE A HD12 1 
ATOM   363  H  HD13 . ILE A 1 27  ? -31.08400 -2.07700  -10.60000 1.000 98.86954  ? 346 ILE A HD13 1 
ATOM   364  N  N    . ALA A 1 28  ? -28.61900 -1.45000  -5.60300  1.000 50.99681  ? 347 ALA A N    1 
ATOM   365  C  CA   . ALA A 1 28  ? -28.58900 -0.40900  -4.58700  1.000 52.52917  ? 347 ALA A CA   1 
ATOM   366  C  C    . ALA A 1 28  ? -29.07300 -0.97500  -3.26300  1.000 59.84435  ? 347 ALA A C    1 
ATOM   367  O  O    . ALA A 1 28  ? -29.95500 -1.84700  -3.24100  1.000 50.21806  ? 347 ALA A O    1 
ATOM   368  C  CB   . ALA A 1 28  ? -29.46300 0.78400   -4.99200  1.000 53.70870  ? 347 ALA A CB   1 
ATOM   369  H  H    . ALA A 1 28  ? -29.20900 -2.06200  -5.47100  1.000 60.97143  ? 347 ALA A H    1 
ATOM   370  H  HA   . ALA A 1 28  ? -27.67500 -0.09700  -4.49600  1.000 63.07995  ? 347 ALA A HA   1 
ATOM   371  H  HB1  . ALA A 1 28  ? -29.42600 1.46200   -4.30000  1.000 64.22570  ? 347 ALA A HB1  1 
ATOM   372  H  HB2  . ALA A 1 28  ? -29.13700 1.15600   -5.82600  1.000 64.22570  ? 347 ALA A HB2  1 
ATOM   373  H  HB3  . ALA A 1 28  ? -30.38000 0.48900   -5.10700  1.000 64.22570  ? 347 ALA A HB3  1 
ATOM   374  N  N    . PRO A 1 29  ? -28.54100 -0.48200  -2.14200  1.000 57.12625  ? 348 PRO A N    1 
ATOM   375  C  CA   . PRO A 1 29  ? -27.49500 0.54700   -2.01700  1.000 45.16075  ? 348 PRO A CA   1 
ATOM   376  C  C    . PRO A 1 29  ? -26.11000 -0.04300  -2.25300  1.000 59.34103  ? 348 PRO A C    1 
ATOM   377  O  O    . PRO A 1 29  ? -25.95700 -1.25700  -2.35200  1.000 52.47222  ? 348 PRO A O    1 
ATOM   378  C  CB   . PRO A 1 29  ? -27.67700 1.03900   -0.57900  1.000 43.59040  ? 348 PRO A CB   1 
ATOM   379  C  CG   . PRO A 1 29  ? -28.13600 -0.19600  0.15600   1.000 45.20029  ? 348 PRO A CG   1 
ATOM   380  C  CD   . PRO A 1 29  ? -29.01800 -0.93800  -0.82500  1.000 43.44411  ? 348 PRO A CD   1 
ATOM   381  H  HA   . PRO A 1 29  ? -27.56900 1.26000   -2.67000  1.000 53.96816  ? 348 PRO A HA   1 
ATOM   382  H  HB2  . PRO A 1 29  ? -26.84900 1.38700   -0.21200  1.000 52.08374  ? 348 PRO A HB2  1 
ATOM   383  H  HB3  . PRO A 1 29  ? -28.33300 1.75200   -0.52500  1.000 52.08374  ? 348 PRO A HB3  1 
ATOM   384  H  HG2  . PRO A 1 29  ? -27.38200 -0.74100  0.43000   1.000 54.28530  ? 348 PRO A HG2  1 
ATOM   385  H  HG3  . PRO A 1 29  ? -28.62500 0.03700   0.96000   1.000 54.28530  ? 348 PRO A HG3  1 
ATOM   386  H  HD2  . PRO A 1 29  ? -28.92900 -1.89900  -0.72700  1.000 52.17788  ? 348 PRO A HD2  1 
ATOM   387  H  HD3  . PRO A 1 29  ? -29.95500 -0.72500  -0.69300  1.000 52.17788  ? 348 PRO A HD3  1 
ATOM   388  N  N    . LYS A 1 30  ? -25.07800 0.79500   -2.35100  1.000 49.09281  ? 349 LYS A N    1 
ATOM   389  C  CA   . LYS A 1 30  ? -23.72900 0.27300   -2.53000  1.000 45.77297  ? 349 LYS A CA   1 
ATOM   390  C  C    . LYS A 1 30  ? -23.18200 -0.29200  -1.22800  1.000 55.79893  ? 349 LYS A C    1 
ATOM   391  O  O    . LYS A 1 30  ? -22.49000 -1.31600  -1.23400  1.000 47.74081  ? 349 LYS A O    1 
ATOM   392  C  CB   . LYS A 1 30  ? -22.80700 1.36600   -3.07700  1.000 48.86655  ? 349 LYS A CB   1 
ATOM   393  C  CG   . LYS A 1 30  ? -22.82800 2.66400   -2.28400  1.000 109.79870 ? 349 LYS A CG   1 
ATOM   394  C  CD   . LYS A 1 30  ? -21.87200 3.68900   -2.87500  1.000 123.09693 ? 349 LYS A CD   1 
ATOM   395  C  CE   . LYS A 1 30  ? -21.91300 4.99600   -2.09900  1.000 118.61551 ? 349 LYS A CE   1 
ATOM   396  N  NZ   . LYS A 1 30  ? -21.53600 4.80900   -0.67000  1.000 116.25673 ? 349 LYS A NZ   1 
ATOM   397  H  H    . LYS A 1 30  ? -25.13700 1.65200   -2.31700  1.000 58.95632  ? 349 LYS A H    1 
ATOM   398  H  HA   . LYS A 1 30  ? -23.76700 -0.45200  -3.17300  1.000 54.97252  ? 349 LYS A HA   1 
ATOM   399  H  HB2  . LYS A 1 30  ? -21.89800 1.02700   -3.09700  1.000 58.41513  ? 349 LYS A HB2  1 
ATOM   400  H  HB3  . LYS A 1 30  ? -23.05900 1.55600   -3.99400  1.000 58.41513  ? 349 LYS A HB3  1 
ATOM   401  H  HG2  . LYS A 1 30  ? -23.72800 3.02600   -2.27500  1.000 131.80338 ? 349 LYS A HG2  1 
ATOM   402  H  HG3  . LYS A 1 30  ? -22.58500 2.48600   -1.36200  1.000 131.80338 ? 349 LYS A HG3  1 
ATOM   403  H  HD2  . LYS A 1 30  ? -20.96900 3.33400   -2.86700  1.000 147.76126 ? 349 LYS A HD2  1 
ATOM   404  H  HD3  . LYS A 1 30  ? -22.10400 3.85400   -3.80200  1.000 147.76126 ? 349 LYS A HD3  1 
ATOM   405  H  HE2  . LYS A 1 30  ? -21.31000 5.63500   -2.51100  1.000 142.38355 ? 349 LYS A HE2  1 
ATOM   406  H  HE3  . LYS A 1 30  ? -22.80500 5.37400   -2.15100  1.000 142.38355 ? 349 LYS A HE3  1 
ATOM   407  H  HZ1  . LYS A 1 30  ? -21.37300 5.60200   -0.30000  1.000 139.55303 ? 349 LYS A HZ1  1 
ATOM   408  H  HZ2  . LYS A 1 30  ? -22.20300 4.41100   -0.23600  1.000 139.55303 ? 349 LYS A HZ2  1 
ATOM   409  H  HZ3  . LYS A 1 30  ? -20.80600 4.30300   -0.61900  1.000 139.55303 ? 349 LYS A HZ3  1 
ATOM   410  N  N    . GLU A 1 31  ? -23.48900 0.36300   -0.11000  1.000 48.73689  ? 350 GLU A N    1 
ATOM   411  C  CA   . GLU A 1 31  ? -23.04600 -0.04000  1.21300   1.000 38.28032  ? 350 GLU A CA   1 
ATOM   412  C  C    . GLU A 1 31  ? -24.23300 -0.00500  2.16200   1.000 49.93120  ? 350 GLU A C    1 
ATOM   413  O  O    . GLU A 1 31  ? -25.24600 0.64800   1.89800   1.000 44.67423  ? 350 GLU A O    1 
ATOM   414  C  CB   . GLU A 1 31  ? -21.92600 0.87100   1.73600   1.000 40.42051  ? 350 GLU A CB   1 
ATOM   415  C  CG   . GLU A 1 31  ? -20.69300 0.92100   0.84800   1.000 105.52654 ? 350 GLU A CG   1 
ATOM   416  C  CD   . GLU A 1 31  ? -19.70500 1.98600   1.28300   1.000 125.24198 ? 350 GLU A CD   1 
ATOM   417  O  OE1  . GLU A 1 31  ? -20.04900 2.78900   2.17600   1.000 135.19130 ? 350 GLU A OE1  1 
ATOM   418  O  OE2  . GLU A 1 31  ? -18.58500 2.02100   0.73100   1.000 108.44521 ? 350 GLU A OE2  1 
ATOM   419  H  H    . GLU A 1 31  ? -23.97400 1.07300   -0.10500  1.000 58.52922  ? 350 GLU A H    1 
ATOM   420  H  HA   . GLU A 1 31  ? -22.68700 -0.94000  1.15900   1.000 45.71164  ? 350 GLU A HA   1 
ATOM   421  H  HB2  . GLU A 1 31  ? -22.27600 1.77000   1.83700   1.000 48.54956  ? 350 GLU A HB2  1 
ATOM   422  H  HB3  . GLU A 1 31  ? -21.66300 0.56800   2.61900   1.000 48.54956  ? 350 GLU A HB3  1 
ATOM   423  H  HG2  . GLU A 1 31  ? -20.25600 0.05500   0.85800   1.000 126.67679 ? 350 GLU A HG2  1 
ATOM   424  H  HG3  . GLU A 1 31  ? -20.96400 1.09100   -0.06800  1.000 126.67679 ? 350 GLU A HG3  1 
ATOM   425  N  N    . TYR A 1 32  ? -24.10100 -0.71400  3.27900   1.000 44.13881  ? 351 TYR A N    1 
ATOM   426  C  CA   . TYR A 1 32  ? -25.12200 -0.64900  4.31200   1.000 37.96384  ? 351 TYR A CA   1 
ATOM   427  C  C    . TYR A 1 32  ? -24.48900 -1.00200  5.64700   1.000 35.46901  ? 351 TYR A C    1 
ATOM   428  O  O    . TYR A 1 32  ? -23.43100 -1.63200  5.71000   1.000 39.18696  ? 351 TYR A O    1 
ATOM   429  C  CB   . TYR A 1 32  ? -26.31000 -1.56700  4.00000   1.000 43.25559  ? 351 TYR A CB   1 
ATOM   430  C  CG   . TYR A 1 32  ? -26.17600 -2.99100  4.48700   1.000 32.39129  ? 351 TYR A CG   1 
ATOM   431  C  CD1  . TYR A 1 32  ? -25.35700 -3.89800  3.82800   1.000 39.36227  ? 351 TYR A CD1  1 
ATOM   432  C  CD2  . TYR A 1 32  ? -26.89200 -3.43600  5.59100   1.000 33.43547  ? 351 TYR A CD2  1 
ATOM   433  C  CE1  . TYR A 1 32  ? -25.24300 -5.20500  4.26200   1.000 43.88931  ? 351 TYR A CE1  1 
ATOM   434  C  CE2  . TYR A 1 32  ? -26.78500 -4.74300  6.03500   1.000 43.37730  ? 351 TYR A CE2  1 
ATOM   435  C  CZ   . TYR A 1 32  ? -25.96000 -5.62400  5.36400   1.000 42.11423  ? 351 TYR A CZ   1 
ATOM   436  O  OH   . TYR A 1 32  ? -25.84700 -6.92600  5.79800   1.000 45.73935  ? 351 TYR A OH   1 
ATOM   437  H  H    . TYR A 1 32  ? -23.43700 -1.23100  3.45500   1.000 53.01153  ? 351 TYR A H    1 
ATOM   438  H  HA   . TYR A 1 32  ? -25.47700 0.25300   4.34800   1.000 45.60155  ? 351 TYR A HA   1 
ATOM   439  H  HB2  . TYR A 1 32  ? -27.10900 -1.18100  4.39200   1.000 51.95166  ? 351 TYR A HB2  1 
ATOM   440  H  HB3  . TYR A 1 32  ? -26.44400 -1.58100  3.03900   1.000 51.95166  ? 351 TYR A HB3  1 
ATOM   441  H  HD1  . TYR A 1 32  ? -24.87700 -3.62100  3.08100   1.000 47.27967  ? 351 TYR A HD1  1 
ATOM   442  H  HD2  . TYR A 1 32  ? -27.45300 -2.84600  6.04000   1.000 40.16751  ? 351 TYR A HD2  1 
ATOM   443  H  HE1  . TYR A 1 32  ? -24.68600 -5.79900  3.81400   1.000 52.71212  ? 351 TYR A HE1  1 
ATOM   444  H  HE2  . TYR A 1 32  ? -27.26500 -5.02600  6.78000   1.000 52.09770  ? 351 TYR A HE2  1 
ATOM   445  H  HH   . TYR A 1 32  ? -25.72400 -7.43200  5.13900   1.000 54.93217  ? 351 TYR A HH   1 
ATOM   446  N  N    . GLU A 1 33  ? -25.14700 -0.56100  6.71500   1.000 49.09824  ? 352 GLU A N    1 
ATOM   447  C  CA   . GLU A 1 33  ? -24.68100 -0.79700  8.07500   1.000 40.58883  ? 352 GLU A CA   1 
ATOM   448  C  C    . GLU A 1 33  ? -25.26700 -2.11600  8.56200   1.000 44.43113  ? 352 GLU A C    1 
ATOM   449  O  O    . GLU A 1 33  ? -26.46500 -2.20300  8.85000   1.000 43.02569  ? 352 GLU A O    1 
ATOM   450  C  CB   . GLU A 1 33  ? -25.08000 0.35900   8.98800   1.000 34.98411  ? 352 GLU A CB   1 
ATOM   451  C  CG   . GLU A 1 33  ? -24.63300 0.18900   10.42700  1.000 51.65004  ? 352 GLU A CG   1 
ATOM   452  C  CD   . GLU A 1 33  ? -23.12700 0.20500   10.57800  1.000 61.66953  ? 352 GLU A CD   1 
ATOM   453  O  OE1  . GLU A 1 33  ? -22.47300 1.05500   9.93900   1.000 55.92014  ? 352 GLU A OE1  1 
ATOM   454  O  OE2  . GLU A 1 33  ? -22.59600 -0.63500  11.33400  1.000 60.15378  ? 352 GLU A OE2  1 
ATOM   455  H  H    . GLU A 1 33  ? -25.88000 -0.11400  6.66900   1.000 58.96284  ? 352 GLU A H    1 
ATOM   456  H  HA   . GLU A 1 33  ? -23.71300 -0.85100  8.09100   1.000 48.75154  ? 352 GLU A HA   1 
ATOM   457  H  HB2  . GLU A 1 33  ? -24.70400 1.18100   8.63700   1.000 41.75620  ? 352 GLU A HB2  1 
ATOM   458  H  HB3  . GLU A 1 33  ? -26.04500 0.45700   8.96800   1.000 41.75620  ? 352 GLU A HB3  1 
ATOM   459  H  HG2  . GLU A 1 33  ? -25.01600 0.89900   10.96600  1.000 62.02499  ? 352 GLU A HG2  1 
ATOM   460  H  HG3  . GLU A 1 33  ? -24.98000 -0.64800  10.77200  1.000 62.02499  ? 352 GLU A HG3  1 
ATOM   461  N  N    . ALA A 1 34  ? -24.42500 -3.14600  8.64800   1.000 39.82534  ? 353 ALA A N    1 
ATOM   462  C  CA   . ALA A 1 34  ? -24.86600 -4.45700  9.10200   1.000 25.25632  ? 353 ALA A CA   1 
ATOM   463  C  C    . ALA A 1 34  ? -24.63300 -4.68300  10.58500  1.000 31.97600  ? 353 ALA A C    1 
ATOM   464  O  O    . ALA A 1 34  ? -25.25600 -5.58100  11.16500  1.000 32.88839  ? 353 ALA A O    1 
ATOM   465  C  CB   . ALA A 1 34  ? -24.15100 -5.56300  8.31500   1.000 26.95225  ? 353 ALA A CB   1 
ATOM   466  H  H    . ALA A 1 34  ? -23.59000 -3.10200  8.44600   1.000 47.83536  ? 353 ALA A H    1 
ATOM   467  H  HA   . ALA A 1 34  ? -25.82300 -4.48900  8.94400   1.000 30.08285  ? 353 ALA A HA   1 
ATOM   468  H  HB1  . ALA A 1 34  ? -24.45400 -6.43000  8.62700   1.000 32.38764  ? 353 ALA A HB1  1 
ATOM   469  H  HB2  . ALA A 1 34  ? -24.35300 -5.47100  7.37100   1.000 32.38764  ? 353 ALA A HB2  1 
ATOM   470  H  HB3  . ALA A 1 34  ? -23.19300 -5.48800  8.44900   1.000 32.38764  ? 353 ALA A HB3  1 
ATOM   471  N  N    . TYR A 1 35  ? -23.70200 -3.93200  11.14800  1.000 29.58638  ? 354 TYR A N    1 
ATOM   472  C  CA   . TYR A 1 35  ? -23.30100 -4.11700  12.54400  1.000 27.91018  ? 354 TYR A CA   1 
ATOM   473  C  C    . TYR A 1 35  ? -22.68700 -5.49900  12.76600  1.000 30.35047  ? 354 TYR A C    1 
ATOM   474  O  O    . TYR A 1 35  ? -22.67500 -6.33100  11.85800  1.000 30.03006  ? 354 TYR A O    1 
ATOM   475  C  CB   . TYR A 1 35  ? -24.48300 -3.90900  13.50500  1.000 36.16183  ? 354 TYR A CB   1 
ATOM   476  C  CG   . TYR A 1 35  ? -25.13600 -2.54100  13.44100  1.000 36.45804  ? 354 TYR A CG   1 
ATOM   477  C  CD1  . TYR A 1 35  ? -24.54000 -1.43600  14.02400  1.000 34.96179  ? 354 TYR A CD1  1 
ATOM   478  C  CD2  . TYR A 1 35  ? -26.36000 -2.36400  12.81900  1.000 51.75026  ? 354 TYR A CD2  1 
ATOM   479  C  CE1  . TYR A 1 35  ? -25.13300 -0.18800  13.97100  1.000 40.65407  ? 354 TYR A CE1  1 
ATOM   480  C  CE2  . TYR A 1 35  ? -26.96800 -1.12300  12.75800  1.000 34.43165  ? 354 TYR A CE2  1 
ATOM   481  C  CZ   . TYR A 1 35  ? -26.35100 -0.03100  13.33700  1.000 51.80987  ? 354 TYR A CZ   1 
ATOM   482  O  OH   . TYR A 1 35  ? -26.94400 1.20200   13.27300  1.000 66.47743  ? 354 TYR A OH   1 
ATOM   483  H  H    . TYR A 1 35  ? -23.28300 -3.30200  10.73900  1.000 35.54860  ? 354 TYR A H    1 
ATOM   484  H  HA   . TYR A 1 35  ? -22.62900 -3.44400  12.73600  1.000 33.26747  ? 354 TYR A HA   1 
ATOM   485  H  HB2  . TYR A 1 35  ? -25.15600 -4.58200  13.31700  1.000 43.43914  ? 354 TYR A HB2  1 
ATOM   486  H  HB3  . TYR A 1 35  ? -24.17500 -4.06200  14.41200  1.000 43.43914  ? 354 TYR A HB3  1 
ATOM   487  H  HD1  . TYR A 1 35  ? -23.72500 -1.53500  14.46000  1.000 41.92214  ? 354 TYR A HD1  1 
ATOM   488  H  HD2  . TYR A 1 35  ? -26.78300 -3.09700  12.43300  1.000 62.14526  ? 354 TYR A HD2  1 
ATOM   489  H  HE1  . TYR A 1 35  ? -24.71300 0.54400   14.36100  1.000 48.82983  ? 354 TYR A HE1  1 
ATOM   490  H  HE2  . TYR A 1 35  ? -27.78800 -1.02400  12.33000  1.000 41.09324  ? 354 TYR A HE2  1 
ATOM   491  H  HH   . TYR A 1 35  ? -27.67900 1.13900   12.87200  1.000 79.81786  ? 354 TYR A HH   1 
ATOM   492  N  N    . GLU A 1 36  ? -22.10400 -5.69700  13.93500  1.000 32.13636  ? 355 GLU A N    1 
ATOM   493  C  CA   . GLU A 1 36  ? -21.53600 -6.99100  14.27800  1.000 39.55863  ? 355 GLU A CA   1 
ATOM   494  C  C    . GLU A 1 36  ? -21.52700 -7.10200  15.79000  1.000 33.26302  ? 355 GLU A C    1 
ATOM   495  O  O    . GLU A 1 36  ? -21.55800 -6.09700  16.50500  1.000 45.96674  ? 355 GLU A O    1 
ATOM   496  C  CB   . GLU A 1 36  ? -20.12300 -7.16600  13.71200  1.000 36.62943  ? 355 GLU A CB   1 
ATOM   497  C  CG   . GLU A 1 36  ? -19.10900 -6.17900  14.26400  1.000 42.82944  ? 355 GLU A CG   1 
ATOM   498  C  CD   . GLU A 1 36  ? -17.68500 -6.52600  13.87900  1.000 44.58267  ? 355 GLU A CD   1 
ATOM   499  O  OE1  . GLU A 1 36  ? -17.46400 -7.63800  13.35400  1.000 64.79307  ? 355 GLU A OE1  1 
ATOM   500  O  OE2  . GLU A 1 36  ? -16.78700 -5.68700  14.10200  1.000 75.55846  ? 355 GLU A OE2  1 
ATOM   501  H  H    . GLU A 1 36  ? -22.02600 -5.09600  14.54500  1.000 38.60858  ? 355 GLU A H    1 
ATOM   502  H  HA   . GLU A 1 36  ? -22.07500 -7.69500  13.88500  1.000 47.51530  ? 355 GLU A HA   1 
ATOM   503  H  HB2  . GLU A 1 36  ? -19.81900 -8.06800  13.90000  1.000 44.00026  ? 355 GLU A HB2  1 
ATOM   504  H  HB3  . GLU A 1 36  ? -20.15800 -7.07400  12.74700  1.000 44.00026  ? 355 GLU A HB3  1 
ATOM   505  H  HG2  . GLU A 1 36  ? -19.32000 -5.28900  13.94000  1.000 51.44027  ? 355 GLU A HG2  1 
ATOM   506  H  HG3  . GLU A 1 36  ? -19.18100 -6.15300  15.23100  1.000 51.44027  ? 355 GLU A HG3  1 
ATOM   507  N  N    . CYS A 1 37  ? -21.48000 -8.33600  16.26700  1.000 33.17972  ? 356 CYS A N    1 
ATOM   508  C  CA   . CYS A 1 37  ? -21.41300 -8.61000  17.69400  1.000 28.62136  ? 356 CYS A CA   1 
ATOM   509  C  C    . CYS A 1 37  ? -19.97300 -8.92900  18.06500  1.000 41.68070  ? 356 CYS A C    1 
ATOM   510  O  O    . CYS A 1 37  ? -19.37400 -9.85400  17.50500  1.000 39.82126  ? 356 CYS A O    1 
ATOM   511  C  CB   . CYS A 1 37  ? -22.34800 -9.75400  18.06700  1.000 27.47795  ? 356 CYS A CB   1 
ATOM   512  S  SG   . CYS A 1 37  ? -24.06400 -9.33100  17.75400  1.000 32.54013  ? 356 CYS A SG   1 
ATOM   513  H  H    . CYS A 1 37  ? -21.48600 -9.04000  15.77300  1.000 39.86061  ? 356 CYS A H    1 
ATOM   514  H  HA   . CYS A 1 37  ? -21.70300 -7.83000  18.19200  1.000 34.12089  ? 356 CYS A HA   1 
ATOM   515  H  HB2  . CYS A 1 37  ? -22.11100 -10.54600 17.55900  1.000 32.74880  ? 356 CYS A HB2  1 
ATOM   516  H  HB3  . CYS A 1 37  ? -22.23400 -9.97400  19.00500  1.000 32.74880  ? 356 CYS A HB3  1 
ATOM   517  N  N    . LYS A 1 38  ? -19.42400 -8.15800  19.00100  1.000 36.54789  ? 357 LYS A N    1 
ATOM   518  C  CA   . LYS A 1 38  ? -18.03000 -8.27000  19.40100  1.000 51.15817  ? 357 LYS A CA   1 
ATOM   519  C  C    . LYS A 1 38  ? -17.93600 -8.25700  20.92000  1.000 50.70765  ? 357 LYS A C    1 
ATOM   520  O  O    . LYS A 1 38  ? -18.76800 -7.65800  21.60800  1.000 41.00616  ? 357 LYS A O    1 
ATOM   521  C  CB   . LYS A 1 38  ? -17.19200 -7.12800  18.79900  1.000 58.17685  ? 357 LYS A CB   1 
ATOM   522  C  CG   . LYS A 1 38  ? -15.69300 -7.38100  18.75700  1.000 121.00993 ? 357 LYS A CG   1 
ATOM   523  C  CD   . LYS A 1 38  ? -14.96900 -6.25400  18.02500  1.000 88.37736  ? 357 LYS A CD   1 
ATOM   524  C  CE   . LYS A 1 38  ? -13.47400 -6.52100  17.93100  1.000 130.15636 ? 357 LYS A CE   1 
ATOM   525  N  NZ   . LYS A 1 38  ? -12.77400 -5.49100  17.11200  1.000 115.59627 ? 357 LYS A NZ   1 
ATOM   526  H  H    . LYS A 1 38  ? -19.85800 -7.54900  19.42500  1.000 43.90242  ? 357 LYS A H    1 
ATOM   527  H  HA   . LYS A 1 38  ? -17.67400 -9.10700  19.06500  1.000 61.43476  ? 357 LYS A HA   1 
ATOM   528  H  HB2  . LYS A 1 38  ? -17.50300 -6.95900  17.89600  1.000 69.85717  ? 357 LYS A HB2  1 
ATOM   529  H  HB3  . LYS A 1 38  ? -17.35600 -6.32100  19.31100  1.000 69.85717  ? 357 LYS A HB3  1 
ATOM   530  H  HG2  . LYS A 1 38  ? -15.34900 -7.45800  19.66100  1.000 145.25686 ? 357 LYS A HG2  1 
ATOM   531  H  HG3  . LYS A 1 38  ? -15.51600 -8.22500  18.31300  1.000 145.25686 ? 357 LYS A HG3  1 
ATOM   532  H  HD2  . LYS A 1 38  ? -15.33800 -6.15600  17.13300  1.000 106.09778 ? 357 LYS A HD2  1 
ATOM   533  H  HD3  . LYS A 1 38  ? -15.12100 -5.41600  18.48900  1.000 106.09778 ? 357 LYS A HD3  1 
ATOM   534  H  HE2  . LYS A 1 38  ? -13.09300 -6.53800  18.82300  1.000 156.23258 ? 357 LYS A HE2  1 
ATOM   535  H  HE3  . LYS A 1 38  ? -13.32600 -7.39700  17.54200  1.000 156.23258 ? 357 LYS A HE3  1 
ATOM   536  H  HZ1  . LYS A 1 38  ? -12.09100 -5.86700  16.68300  1.000 138.76048 ? 357 LYS A HZ1  1 
ATOM   537  H  HZ2  . LYS A 1 38  ? -13.34200 -5.14600  16.52000  1.000 138.76048 ? 357 LYS A HZ2  1 
ATOM   538  H  HZ3  . LYS A 1 38  ? -12.47100 -4.84500  17.64300  1.000 138.76048 ? 357 LYS A HZ3  1 
ATOM   539  N  N    . GLY A 1 39  ? -16.91700 -8.92600  21.43800  1.000 52.44859  ? 358 GLY A N    1 
ATOM   540  C  CA   . GLY A 1 39  ? -16.68400 -8.99700  22.86500  1.000 51.17327  ? 358 GLY A CA   1 
ATOM   541  C  C    . GLY A 1 39  ? -16.61700 -10.43000 23.36000  1.000 56.51439  ? 358 GLY A C    1 
ATOM   542  O  O    . GLY A 1 39  ? -16.92900 -11.38600 22.65300  1.000 75.97487  ? 358 GLY A O    1 
ATOM   543  H  H    . GLY A 1 39  ? -16.33900 -9.35300  20.96600  1.000 62.71357  ? 358 GLY A H    1 
ATOM   544  H  HA2  . GLY A 1 39  ? -15.85400 -8.54300  23.07900  1.000 61.45288  ? 358 GLY A HA2  1 
ATOM   545  H  HA3  . GLY A 1 39  ? -17.39300 -8.52700  23.33100  1.000 61.45288  ? 358 GLY A HA3  1 
ATOM   546  N  N    . GLY A 1 40  ? -16.18900 -10.55100 24.61400  1.000 66.78400  ? 359 GLY A N    1 
ATOM   547  C  CA   . GLY A 1 40  ? -16.03700 -11.85000 25.22600  1.000 77.91974  ? 359 GLY A CA   1 
ATOM   548  C  C    . GLY A 1 40  ? -17.25300 -12.27100 26.02600  1.000 37.38023  ? 359 GLY A C    1 
ATOM   549  O  O    . GLY A 1 40  ? -18.10800 -11.46200 26.37700  1.000 73.35750  ? 359 GLY A O    1 
ATOM   550  H  H    . GLY A 1 40  ? -15.98300 -9.88800  25.12200  1.000 80.18575  ? 359 GLY A H    1 
ATOM   551  H  HA2  . GLY A 1 40  ? -15.86600 -12.51000 24.53600  1.000 93.54863  ? 359 GLY A HA2  1 
ATOM   552  H  HA3  . GLY A 1 40  ? -15.26100 -11.84000 25.80800  1.000 93.54863  ? 359 GLY A HA3  1 
ATOM   553  N  N    . CYS A 1 41  ? -17.32700 -13.55300 26.37900  1.000 44.59338  ? 360 CYS A N    1 
ATOM   554  C  CA   . CYS A 1 41  ? -18.49100 -14.04500 27.11600  1.000 33.72883  ? 360 CYS A CA   1 
ATOM   555  C  C    . CYS A 1 41  ? -18.13200 -14.57700 28.50300  1.000 36.34857  ? 360 CYS A C    1 
ATOM   556  O  O    . CYS A 1 41  ? -18.82400 -15.45300 29.03600  1.000 88.43127  ? 360 CYS A O    1 
ATOM   557  C  CB   . CYS A 1 41  ? -19.22300 -15.11200 26.30800  1.000 53.06465  ? 360 CYS A CB   1 
ATOM   558  S  SG   . CYS A 1 41  ? -20.09600 -14.44600 24.88300  1.000 41.80675  ? 360 CYS A SG   1 
ATOM   559  H  H    . CYS A 1 41  ? -16.72700 -14.14400 26.20600  1.000 53.55700  ? 360 CYS A H    1 
ATOM   560  H  HA   . CYS A 1 41  ? -19.07900 -13.28500 27.25000  1.000 40.51954  ? 360 CYS A HA   1 
ATOM   561  H  HB2  . CYS A 1 41  ? -18.58400 -15.77700 26.00700  1.000 63.72253  ? 360 CYS A HB2  1 
ATOM   562  H  HB3  . CYS A 1 41  ? -19.85600 -15.56800 26.88400  1.000 63.72253  ? 360 CYS A HB3  1 
ATOM   563  N  N    . PHE A 1 42  ? -17.11100 -13.99900 29.12600  1.000 33.17558  ? 361 PHE A N    1 
ATOM   564  C  CA   . PHE A 1 42  ? -16.49300 -14.50900 30.33700  1.000 66.33734  ? 361 PHE A CA   1 
ATOM   565  C  C    . PHE A 1 42  ? -17.16600 -13.93100 31.58900  1.000 49.27579  ? 361 PHE A C    1 
ATOM   566  O  O    . PHE A 1 42  ? -17.86900 -12.91900 31.51200  1.000 39.61753  ? 361 PHE A O    1 
ATOM   567  C  CB   . PHE A 1 42  ? -14.99200 -14.20300 30.37000  1.000 54.91043  ? 361 PHE A CB   1 
ATOM   568  C  CG   . PHE A 1 42  ? -14.67900 -12.77400 30.02600  1.000 58.96896  ? 361 PHE A CG   1 
ATOM   569  C  CD1  . PHE A 1 42  ? -14.73400 -11.78600 30.99800  1.000 75.82803  ? 361 PHE A CD1  1 
ATOM   570  C  CD2  . PHE A 1 42  ? -14.33000 -12.41800 28.73400  1.000 47.25133  ? 361 PHE A CD2  1 
ATOM   571  C  CE1  . PHE A 1 42  ? -14.44800 -10.46900 30.68500  1.000 77.25244  ? 361 PHE A CE1  1 
ATOM   572  C  CE2  . PHE A 1 42  ? -14.04400 -11.10500 28.41300  1.000 51.02832  ? 361 PHE A CE2  1 
ATOM   573  C  CZ   . PHE A 1 42  ? -14.10200 -10.12900 29.39000  1.000 62.46292  ? 361 PHE A CZ   1 
ATOM   574  H  H    . PHE A 1 42  ? -16.74800 -13.27300 28.84200  1.000 39.58596  ? 361 PHE A H    1 
ATOM   575  H  HA   . PHE A 1 42  ? -16.61300 -15.47200 30.33300  1.000 79.64976  ? 361 PHE A HA   1 
ATOM   576  H  HB2  . PHE A 1 42  ? -14.64500 -14.40100 31.25400  1.000 65.93747  ? 361 PHE A HB2  1 
ATOM   577  H  HB3  . PHE A 1 42  ? -14.53300 -14.78900 29.74700  1.000 65.93747  ? 361 PHE A HB3  1 
ATOM   578  H  HD1  . PHE A 1 42  ? -14.96600 -12.01100 31.87000  1.000 91.03859  ? 361 PHE A HD1  1 
ATOM   579  H  HD2  . PHE A 1 42  ? -14.28800 -13.07100 28.07400  1.000 56.74654  ? 361 PHE A HD2  1 
ATOM   580  H  HE1  . PHE A 1 42  ? -14.48800 -9.81400  31.34400  1.000 92.74788  ? 361 PHE A HE1  1 
ATOM   581  H  HE2  . PHE A 1 42  ? -13.81300 -10.87800 27.54100  1.000 61.27894  ? 361 PHE A HE2  1 
ATOM   582  H  HZ   . PHE A 1 42  ? -13.90900 -9.24500  29.17700  1.000 75.00045  ? 361 PHE A HZ   1 
ATOM   583  N  N    . PHE A 1 43  ? -16.94500 -14.57900 32.73400  1.000 35.92023  ? 362 PHE A N    1 
ATOM   584  C  CA   . PHE A 1 43  ? -17.52400 -14.10100 33.98200  1.000 49.68924  ? 362 PHE A CA   1 
ATOM   585  C  C    . PHE A 1 43  ? -16.64900 -13.00000 34.58300  1.000 49.18199  ? 362 PHE A C    1 
ATOM   586  O  O    . PHE A 1 43  ? -15.42100 -13.05600 34.47500  1.000 43.79572  ? 362 PHE A O    1 
ATOM   587  C  CB   . PHE A 1 43  ? -17.67700 -15.24900 34.98100  1.000 36.03814  ? 362 PHE A CB   1 
ATOM   588  C  CG   . PHE A 1 43  ? -18.65300 -16.30700 34.54600  1.000 37.35222  ? 362 PHE A CG   1 
ATOM   589  C  CD1  . PHE A 1 43  ? -20.01700 -16.11000 34.69000  1.000 35.85102  ? 362 PHE A CD1  1 
ATOM   590  C  CD2  . PHE A 1 43  ? -18.20800 -17.47200 33.94800  1.000 38.98852  ? 362 PHE A CD2  1 
ATOM   591  C  CE1  . PHE A 1 43  ? -20.92600 -17.06400 34.30000  1.000 32.30998  ? 362 PHE A CE1  1 
ATOM   592  C  CE2  . PHE A 1 43  ? -19.11700 -18.43100 33.55100  1.000 53.26820  ? 362 PHE A CE2  1 
ATOM   593  C  CZ   . PHE A 1 43  ? -20.45700 -18.20800 33.73500  1.000 29.86123  ? 362 PHE A CZ   1 
ATOM   594  H  H    . PHE A 1 43  ? -16.46700 -15.29000 32.80600  1.000 43.14923  ? 362 PHE A H    1 
ATOM   595  H  HA   . PHE A 1 43  ? -18.40300 -13.73800 33.79100  1.000 59.67203  ? 362 PHE A HA   1 
ATOM   596  H  HB2  . PHE A 1 43  ? -16.81000 -15.66000 35.12400  1.000 43.02103  ? 362 PHE A HB2  1 
ATOM   597  H  HB3  . PHE A 1 43  ? -17.96400 -14.88800 35.83400  1.000 43.02103  ? 362 PHE A HB3  1 
ATOM   598  H  HD1  . PHE A 1 43  ? -20.32400 -15.31400 35.05900  1.000 43.06617  ? 362 PHE A HD1  1 
ATOM   599  H  HD2  . PHE A 1 43  ? -17.29800 -17.60900 33.81400  1.000 46.83117  ? 362 PHE A HD2  1 
ATOM   600  H  HE1  . PHE A 1 43  ? -21.83900 -16.93000 34.42000  1.000 38.54723  ? 362 PHE A HE1  1 
ATOM   601  H  HE2  . PHE A 1 43  ? -18.82300 -19.22300 33.16200  1.000 63.96679  ? 362 PHE A HE2  1 
ATOM   602  H  HZ   . PHE A 1 43  ? -21.06400 -18.85900 33.46500  1.000 35.87842  ? 362 PHE A HZ   1 
ATOM   603  N  N    . PRO A 1 44  ? -17.25300 -11.98600 35.22200  1.000 49.35830  ? 363 PRO A N    1 
ATOM   604  C  CA   . PRO A 1 44  ? -18.69400 -11.78800 35.44200  1.000 52.82718  ? 363 PRO A CA   1 
ATOM   605  C  C    . PRO A 1 44  ? -19.41700 -11.30400 34.18800  1.000 44.19862  ? 363 PRO A C    1 
ATOM   606  O  O    . PRO A 1 44  ? -18.89400 -10.49100 33.43100  1.000 53.08252  ? 363 PRO A O    1 
ATOM   607  C  CB   . PRO A 1 44  ? -18.72300 -10.74200 36.56300  1.000 49.49720  ? 363 PRO A CB   1 
ATOM   608  C  CG   . PRO A 1 44  ? -17.49200 -9.92000  36.31700  1.000 52.38297  ? 363 PRO A CG   1 
ATOM   609  C  CD   . PRO A 1 44  ? -16.45500 -10.90200 35.82600  1.000 47.02209  ? 363 PRO A CD   1 
ATOM   610  H  HA   . PRO A 1 44  ? -19.15700 -12.60900 35.67000  1.000 63.43756  ? 363 PRO A HA   1 
ATOM   611  H  HB2  . PRO A 1 44  ? -19.52700 -10.20000 36.52400  1.000 59.17190  ? 363 PRO A HB2  1 
ATOM   612  H  HB3  . PRO A 1 44  ? -18.70400 -11.15800 37.43900  1.000 59.17190  ? 363 PRO A HB3  1 
ATOM   613  H  HG2  . PRO A 1 44  ? -17.65900 -9.22700  35.65900  1.000 62.90452  ? 363 PRO A HG2  1 
ATOM   614  H  HG3  . PRO A 1 44  ? -17.19900 -9.47600  37.12800  1.000 62.90452  ? 363 PRO A HG3  1 
ATOM   615  H  HD2  . PRO A 1 44  ? -15.85900 -10.49500 35.17800  1.000 56.20176  ? 363 PRO A HD2  1 
ATOM   616  H  HD3  . PRO A 1 44  ? -15.90300 -11.22900 36.55300  1.000 56.20176  ? 363 PRO A HD3  1 
ATOM   617  N  N    . LEU A 1 45  ? -20.62700 -11.81000 34.00100  1.000 56.10331  ? 364 LEU A N    1 
ATOM   618  C  CA   . LEU A 1 45  ? -21.39600 -11.47700 32.78100  1.000 56.05751  ? 364 LEU A CA   1 
ATOM   619  C  C    . LEU A 1 45  ? -22.16600 -10.16500 32.94700  1.000 85.06196  ? 364 LEU A C    1 
ATOM   620  O  O    . LEU A 1 45  ? -22.26800 -9.67400  34.08200  1.000 89.17788  ? 364 LEU A O    1 
ATOM   621  C  CB   . LEU A 1 45  ? -22.33600 -12.65000 32.48900  1.000 45.66793  ? 364 LEU A CB   1 
ATOM   622  C  CG   . LEU A 1 45  ? -21.65200 -13.94400 32.05300  1.000 56.39022  ? 364 LEU A CG   1 
ATOM   623  C  CD1  . LEU A 1 45  ? -22.65400 -15.08100 31.99500  1.000 71.18884  ? 364 LEU A CD1  1 
ATOM   624  C  CD2  . LEU A 1 45  ? -20.97200 -13.77500 30.70600  1.000 56.88809  ? 364 LEU A CD2  1 
ATOM   625  H  H    . LEU A 1 45  ? -21.02600 -12.33900 34.54900  1.000 67.36892  ? 364 LEU A H    1 
ATOM   626  H  HA   . LEU A 1 45  ? -20.79400 -11.34200 32.03300  1.000 67.31396  ? 364 LEU A HA   1 
ATOM   627  H  HB2  . LEU A 1 45  ? -22.86000 -12.83100 33.28500  1.000 54.84647  ? 364 LEU A HB2  1 
ATOM   628  H  HB3  . LEU A 1 45  ? -22.95800 -12.38100 31.79500  1.000 54.84647  ? 364 LEU A HB3  1 
ATOM   629  H  HG   . LEU A 1 45  ? -20.97300 -14.15900 32.71100  1.000 67.71321  ? 364 LEU A HG   1 
ATOM   630  H  HD11 . LEU A 1 45  ? -22.20500 -15.89500 31.71700  1.000 85.47156  ? 364 LEU A HD11 1 
ATOM   631  H  HD12 . LEU A 1 45  ? -23.04600 -15.21200 32.87300  1.000 85.47156  ? 364 LEU A HD12 1 
ATOM   632  H  HD13 . LEU A 1 45  ? -23.35300 -14.86400 31.35800  1.000 85.47156  ? 364 LEU A HD13 1 
ATOM   633  H  HD21 . LEU A 1 45  ? -20.54600 -14.60800 30.45200  1.000 68.31065  ? 364 LEU A HD21 1 
ATOM   634  H  HD22 . LEU A 1 45  ? -21.63200 -13.53300 30.03800  1.000 68.31065  ? 364 LEU A HD22 1 
ATOM   635  H  HD23 . LEU A 1 45  ? -20.30300 -13.07600 30.76700  1.000 68.31065  ? 364 LEU A HD23 1 
ATOM   636  N  N    . ALA A 1 46  ? -22.66900 -9.61600  31.84400  1.000 87.23576  ? 365 ALA A N    1 
ATOM   637  C  CA   . ALA A 1 46  ? -23.44100 -8.38300  31.84800  1.000 96.45914  ? 365 ALA A CA   1 
ATOM   638  C  C    . ALA A 1 46  ? -24.93500 -8.69500  31.81300  1.000 130.08675 ? 365 ALA A C    1 
ATOM   639  O  O    . ALA A 1 46  ? -25.35700 -9.84300  31.64900  1.000 84.95938  ? 365 ALA A O    1 
ATOM   640  C  CB   . ALA A 1 46  ? -23.04600 -7.49600  30.66400  1.000 111.96587 ? 365 ALA A CB   1 
ATOM   641  H  H    . ALA A 1 46  ? -22.56800 -9.95700  31.06100  1.000 104.72787 ? 365 ALA A H    1 
ATOM   642  H  HA   . ALA A 1 46  ? -23.24700 -7.89900  32.66600  1.000 115.79592 ? 365 ALA A HA   1 
ATOM   643  H  HB1  . ALA A 1 46  ? -23.57000 -6.68000  30.68200  1.000 134.40400 ? 365 ALA A HB1  1 
ATOM   644  H  HB2  . ALA A 1 46  ? -22.10300 -7.27600  30.72400  1.000 134.40400 ? 365 ALA A HB2  1 
ATOM   645  H  HB3  . ALA A 1 46  ? -23.21500 -7.96900  29.83400  1.000 134.40400 ? 365 ALA A HB3  1 
ATOM   646  N  N    . ASP A 1 47  ? -25.74100 -7.64400  31.96900  1.000 118.02254 ? 366 ASP A N    1 
ATOM   647  C  CA   . ASP A 1 47  ? -27.18900 -7.82500  31.99100  1.000 143.94983 ? 366 ASP A CA   1 
ATOM   648  C  C    . ASP A 1 47  ? -27.76100 -7.96500  30.58500  1.000 110.53264 ? 366 ASP A C    1 
ATOM   649  O  O    . ASP A 1 47  ? -28.63700 -8.80500  30.35100  1.000 98.14638  ? 366 ASP A O    1 
ATOM   650  C  CB   . ASP A 1 47  ? -27.85300 -6.66000  32.72800  1.000 116.26453 ? 366 ASP A CB   1 
ATOM   651  C  CG   . ASP A 1 47  ? -29.32100 -6.91400  33.01800  1.000 149.61511 ? 366 ASP A CG   1 
ATOM   652  O  OD1  . ASP A 1 47  ? -29.62000 -7.83700  33.80400  1.000 149.06193 ? 366 ASP A OD1  1 
ATOM   653  O  OD2  . ASP A 1 47  ? -30.17500 -6.19100  32.46200  1.000 137.68671 ? 366 ASP A OD2  1 
ATOM   654  H  H    . ASP A 1 47  ? -25.47400 -6.83200  32.06200  1.000 141.67200 ? 366 ASP A H    1 
ATOM   655  H  HA   . ASP A 1 47  ? -27.37900 -8.65000  32.46500  1.000 172.78474 ? 366 ASP A HA   1 
ATOM   656  H  HB2  . ASP A 1 47  ? -27.38500 -6.50100  33.56200  1.000 139.56238 ? 366 ASP A HB2  1 
ATOM   657  H  HB3  . ASP A 1 47  ? -27.76700 -5.85400  32.19600  1.000 139.56238 ? 366 ASP A HB3  1 
ATOM   658  N  N    . ASP A 1 48  ? -27.28000 -7.16000  29.63700  1.000 91.04280  ? 367 ASP A N    1 
ATOM   659  C  CA   . ASP A 1 48  ? -27.77800 -7.20200  28.26700  1.000 113.84473 ? 367 ASP A CA   1 
ATOM   660  C  C    . ASP A 1 48  ? -27.17800 -8.34000  27.45000  1.000 106.65869 ? 367 ASP A C    1 
ATOM   661  O  O    . ASP A 1 48  ? -27.43400 -8.41600  26.24300  1.000 76.18166  ? 367 ASP A O    1 
ATOM   662  C  CB   . ASP A 1 48  ? -27.45100 -5.88800  27.54800  1.000 131.24382 ? 367 ASP A CB   1 
ATOM   663  C  CG   . ASP A 1 48  ? -25.95900 -5.64300  27.42600  1.000 142.58851 ? 367 ASP A CG   1 
ATOM   664  O  OD1  . ASP A 1 48  ? -25.19800 -6.15400  28.27400  1.000 141.57832 ? 367 ASP A OD1  1 
ATOM   665  O  OD2  . ASP A 1 48  ? -25.54900 -4.93700  26.48000  1.000 145.00774 ? 367 ASP A OD2  1 
ATOM   666  H  H    . ASP A 1 48  ? -26.66000 -6.57900  29.77100  1.000 109.29630 ? 367 ASP A H    1 
ATOM   667  H  HA   . ASP A 1 48  ? -28.73500 -7.34200  28.33300  1.000 136.65862 ? 367 ASP A HA   1 
ATOM   668  H  HB2  . ASP A 1 48  ? -27.84600 -5.90100  26.66200  1.000 157.53754 ? 367 ASP A HB2  1 
ATOM   669  H  HB3  . ASP A 1 48  ? -27.85800 -5.15000  28.02900  1.000 157.53754 ? 367 ASP A HB3  1 
ATOM   670  N  N    . VAL A 1 49  ? -26.38900 -9.21800  28.07200  1.000 83.17939  ? 368 VAL A N    1 
ATOM   671  C  CA   . VAL A 1 49  ? -25.86600 -10.38500 27.36900  1.000 78.32340  ? 368 VAL A CA   1 
ATOM   672  C  C    . VAL A 1 49  ? -26.96600 -11.42000 27.15700  1.000 72.41542  ? 368 VAL A C    1 
ATOM   673  O  O    . VAL A 1 49  ? -27.03900 -12.05900 26.10000  1.000 89.56819  ? 368 VAL A O    1 
ATOM   674  C  CB   . VAL A 1 49  ? -24.66700 -10.97000 28.13900  1.000 90.65054  ? 368 VAL A CB   1 
ATOM   675  C  CG1  . VAL A 1 49  ? -24.38100 -12.38900 27.69100  1.000 79.97724  ? 368 VAL A CG1  1 
ATOM   676  C  CG2  . VAL A 1 49  ? -23.43600 -10.09400 27.95100  1.000 90.71780  ? 368 VAL A CG2  1 
ATOM   677  H  H    . VAL A 1 49  ? -26.14700 -9.15500  28.89500  1.000 99.86021  ? 368 VAL A H    1 
ATOM   678  H  HA   . VAL A 1 49  ? -25.55200 -10.11600 26.49200  1.000 94.03303  ? 368 VAL A HA   1 
ATOM   679  H  HB   . VAL A 1 49  ? -24.89200 -10.98900 29.08200  1.000 108.82560 ? 368 VAL A HB   1 
ATOM   680  H  HG11 . VAL A 1 49  ? -23.62400 -12.73900 28.18700  1.000 96.01764  ? 368 VAL A HG11 1 
ATOM   681  H  HG12 . VAL A 1 49  ? -25.15900 -12.94400 27.85600  1.000 96.01764  ? 368 VAL A HG12 1 
ATOM   682  H  HG13 . VAL A 1 49  ? -24.17600 -12.39400 26.74300  1.000 96.01764  ? 368 VAL A HG13 1 
ATOM   683  H  HG21 . VAL A 1 49  ? -22.69000 -10.47400 28.44100  1.000 108.90631 ? 368 VAL A HG21 1 
ATOM   684  H  HG22 . VAL A 1 49  ? -23.21300 -10.04700 27.00800  1.000 108.90631 ? 368 VAL A HG22 1 
ATOM   685  H  HG23 . VAL A 1 49  ? -23.62000 -9.20200  28.28400  1.000 108.90631 ? 368 VAL A HG23 1 
ATOM   686  N  N    . THR A 1 50  ? -27.84500 -11.58300 28.14200  1.000 75.04152  ? 369 THR A N    1 
ATOM   687  C  CA   . THR A 1 50  ? -28.92500 -12.56400 28.10400  1.000 48.32621  ? 369 THR A CA   1 
ATOM   688  C  C    . THR A 1 50  ? -28.41600 -13.96600 27.75200  1.000 47.57909  ? 369 THR A C    1 
ATOM   689  O  O    . THR A 1 50  ? -28.84900 -14.55800 26.75800  1.000 63.16581  ? 369 THR A O    1 
ATOM   690  C  CB   . THR A 1 50  ? -30.01700 -12.13200 27.13500  1.000 94.33914  ? 369 THR A CB   1 
ATOM   691  O  OG1  . THR A 1 50  ? -29.54700 -12.25800 25.78500  1.000 85.75572  ? 369 THR A OG1  1 
ATOM   692  C  CG2  . THR A 1 50  ? -30.41200 -10.68300 27.39000  1.000 92.85752  ? 369 THR A CG2  1 
ATOM   693  H  H    . THR A 1 50  ? -27.83000 -11.11700 28.86500  1.000 90.09477  ? 369 THR A H    1 
ATOM   694  H  HA   . THR A 1 50  ? -29.30200 -12.60800 28.99700  1.000 58.03640  ? 369 THR A HA   1 
ATOM   695  H  HB   . THR A 1 50  ? -30.79000 -12.70200 27.27000  1.000 113.25191 ? 369 THR A HB   1 
ATOM   696  H  HG1  . THR A 1 50  ? -28.75200 -12.53000 25.78900  1.000 102.95181 ? 369 THR A HG1  1 
ATOM   697  H  HG21 . THR A 1 50  ? -31.10700 -10.42200 26.76600  1.000 111.47398 ? 369 THR A HG21 1 
ATOM   698  H  HG22 . THR A 1 50  ? -30.74200 -10.59200 28.29800  1.000 111.47398 ? 369 THR A HG22 1 
ATOM   699  H  HG23 . THR A 1 50  ? -29.63800 -10.11000 27.26900  1.000 111.47398 ? 369 THR A HG23 1 
ATOM   700  N  N    . PRO A 1 51  ? -27.50600 -14.52700 28.54700  1.000 41.53500  ? 370 PRO A N    1 
ATOM   701  C  CA   . PRO A 1 51  ? -26.90100 -15.80700 28.17000  1.000 35.18933  ? 370 PRO A CA   1 
ATOM   702  C  C    . PRO A 1 51  ? -27.84000 -16.96800 28.44100  1.000 39.29501  ? 370 PRO A C    1 
ATOM   703  O  O    . PRO A 1 51  ? -28.60200 -16.96800 29.41000  1.000 38.18201  ? 370 PRO A O    1 
ATOM   704  C  CB   . PRO A 1 51  ? -25.66000 -15.88200 29.06600  1.000 30.99121  ? 370 PRO A CB   1 
ATOM   705  C  CG   . PRO A 1 51  ? -26.08600 -15.16600 30.30500  1.000 34.70322  ? 370 PRO A CG   1 
ATOM   706  C  CD   . PRO A 1 51  ? -27.00700 -14.05200 29.85100  1.000 41.03844  ? 370 PRO A CD   1 
ATOM   707  H  HA   . PRO A 1 51  ? -26.69500 -15.86200 27.22400  1.000 42.27214  ? 370 PRO A HA   1 
ATOM   708  H  HB2  . PRO A 1 51  ? -25.40800 -16.80000 29.25200  1.000 36.96471  ? 370 PRO A HB2  1 
ATOM   709  H  HB3  . PRO A 1 51  ? -24.89300 -15.45600 28.65200  1.000 36.96471  ? 370 PRO A HB3  1 
ATOM   710  H  HG2  . PRO A 1 51  ? -26.54300 -15.76800 30.91300  1.000 41.68881  ? 370 PRO A HG2  1 
ATOM   711  H  HG3  . PRO A 1 51  ? -25.31900 -14.81000 30.78100  1.000 41.68881  ? 370 PRO A HG3  1 
ATOM   712  H  HD2  . PRO A 1 51  ? -27.73100 -13.90900 30.48000  1.000 49.29108  ? 370 PRO A HD2  1 
ATOM   713  H  HD3  . PRO A 1 51  ? -26.53400 -13.20900 29.76700  1.000 49.29108  ? 370 PRO A HD3  1 
ATOM   714  N  N    . THR A 1 52  ? -27.78300 -17.96200 27.56200  1.000 46.91187  ? 371 THR A N    1 
ATOM   715  C  CA   . THR A 1 52  ? -28.49500 -19.20000 27.81200  1.000 30.92290  ? 371 THR A CA   1 
ATOM   716  C  C    . THR A 1 52  ? -27.79300 -19.98700 28.91400  1.000 36.87711  ? 371 THR A C    1 
ATOM   717  O  O    . THR A 1 52  ? -26.62800 -19.74400 29.24100  1.000 33.86255  ? 371 THR A O    1 
ATOM   718  C  CB   . THR A 1 52  ? -28.57800 -20.04100 26.53900  1.000 24.02812  ? 371 THR A CB   1 
ATOM   719  O  OG1  . THR A 1 52  ? -27.25500 -20.33700 26.07400  1.000 31.17697  ? 371 THR A OG1  1 
ATOM   720  C  CG2  . THR A 1 52  ? -29.33500 -19.29100 25.45400  1.000 31.72761  ? 371 THR A CG2  1 
ATOM   721  H  H    . THR A 1 52  ? -27.34200 -17.93800 26.82400  1.000 56.33919  ? 371 THR A H    1 
ATOM   722  H  HA   . THR A 1 52  ? -29.39700 -18.98600 28.09700  1.000 37.15242  ? 371 THR A HA   1 
ATOM   723  H  HB   . THR A 1 52  ? -29.05000 -20.86400 26.74000  1.000 28.60900  ? 371 THR A HB   1 
ATOM   724  H  HG1  . THR A 1 52  ? -27.29500 -20.65700 25.29800  1.000 37.45731  ? 371 THR A HG1  1 
ATOM   725  H  HG21 . THR A 1 52  ? -29.37900 -19.83700 24.65400  1.000 38.11808  ? 371 THR A HG21 1 
ATOM   726  H  HG22 . THR A 1 52  ? -30.23400 -19.09600 25.76200  1.000 38.11808  ? 371 THR A HG22 1 
ATOM   727  H  HG23 . THR A 1 52  ? -28.87500 -18.46100 25.25300  1.000 38.11808  ? 371 THR A HG23 1 
ATOM   728  N  N    . LYS A 1 53  ? -28.52200 -20.94200 29.49600  1.000 29.41805  ? 372 LYS A N    1 
ATOM   729  C  CA   . LYS A 1 53  ? -27.92000 -21.78000 30.52700  1.000 36.26221  ? 372 LYS A CA   1 
ATOM   730  C  C    . LYS A 1 53  ? -26.78000 -22.62000 29.96700  1.000 29.53698  ? 372 LYS A C    1 
ATOM   731  O  O    . LYS A 1 53  ? -25.82400 -22.92700 30.68900  1.000 39.74878  ? 372 LYS A O    1 
ATOM   732  C  CB   . LYS A 1 53  ? -28.97600 -22.68000 31.16900  1.000 36.45445  ? 372 LYS A CB   1 
ATOM   733  C  CG   . LYS A 1 53  ? -30.09300 -21.92600 31.87100  1.000 45.05576  ? 372 LYS A CG   1 
ATOM   734  C  CD   . LYS A 1 53  ? -30.81300 -22.81700 32.86900  1.000 57.38646  ? 372 LYS A CD   1 
ATOM   735  C  CE   . LYS A 1 53  ? -31.94800 -22.07300 33.55300  1.000 86.31622  ? 372 LYS A CE   1 
ATOM   736  N  NZ   . LYS A 1 53  ? -33.22000 -22.20300 32.80300  1.000 52.16202  ? 372 LYS A NZ   1 
ATOM   737  H  H    . LYS A 1 53  ? -29.34400 -21.11600 29.31300  1.000 35.34661  ? 372 LYS A H    1 
ATOM   738  H  HA   . LYS A 1 53  ? -27.55200 -21.19300 31.20600  1.000 43.55960  ? 372 LYS A HA   1 
ATOM   739  H  HB2  . LYS A 1 53  ? -29.36300 -23.24700 30.48400  1.000 43.79028  ? 372 LYS A HB2  1 
ATOM   740  H  HB3  . LYS A 1 53  ? -28.54200 -23.26500 31.81000  1.000 43.79028  ? 372 LYS A HB3  1 
ATOM   741  H  HG2  . LYS A 1 53  ? -29.72700 -21.15300 32.32900  1.000 54.11186  ? 372 LYS A HG2  1 
ATOM   742  H  HG3  . LYS A 1 53  ? -30.72500 -21.59400 31.21500  1.000 54.11186  ? 372 LYS A HG3  1 
ATOM   743  H  HD2  . LYS A 1 53  ? -31.16300 -23.59900 32.41400  1.000 68.90870  ? 372 LYS A HD2  1 
ATOM   744  H  HD3  . LYS A 1 53  ? -30.18400 -23.13500 33.53500  1.000 68.90870  ? 372 LYS A HD3  1 
ATOM   745  H  HE2  . LYS A 1 53  ? -32.06600 -22.41800 34.45200  1.000 103.62441 ? 372 LYS A HE2  1 
ATOM   746  H  HE3  . LYS A 1 53  ? -31.71600 -21.13500 33.63700  1.000 103.62441 ? 372 LYS A HE3  1 
ATOM   747  H  HZ1  . LYS A 1 53  ? -33.88200 -22.38400 33.37000  1.000 62.63937  ? 372 LYS A HZ1  1 
ATOM   748  H  HZ2  . LYS A 1 53  ? -33.39400 -21.44100 32.37800  1.000 62.63937  ? 372 LYS A HZ2  1 
ATOM   749  H  HZ3  . LYS A 1 53  ? -33.14900 -22.86300 32.21000  1.000 62.63937  ? 372 LYS A HZ3  1 
ATOM   750  N  N    . HIS A 1 54  ? -26.85400 -22.99200 28.68800  1.000 26.87598  ? 373 HIS A N    1 
ATOM   751  C  CA   . HIS A 1 54  ? -25.77500 -23.77000 28.08700  1.000 25.99848  ? 373 HIS A CA   1 
ATOM   752  C  C    . HIS A 1 54  ? -24.52900 -22.91800 27.87700  1.000 26.01618  ? 373 HIS A C    1 
ATOM   753  O  O    . HIS A 1 54  ? -23.40600 -23.39200 28.08400  1.000 29.94460  ? 373 HIS A O    1 
ATOM   754  C  CB   . HIS A 1 54  ? -26.23700 -24.38000 26.76500  1.000 27.05169  ? 373 HIS A CB   1 
ATOM   755  C  CG   . HIS A 1 54  ? -25.25300 -25.34000 26.17300  1.000 27.76901  ? 373 HIS A CG   1 
ATOM   756  N  ND1  . HIS A 1 54  ? -24.23800 -24.94100 25.33100  1.000 27.01214  ? 373 HIS A ND1  1 
ATOM   757  C  CD2  . HIS A 1 54  ? -25.12400 -26.68100 26.31000  1.000 29.69922  ? 373 HIS A CD2  1 
ATOM   758  C  CE1  . HIS A 1 54  ? -23.52700 -25.99500 24.97200  1.000 41.33892  ? 373 HIS A CE1  1 
ATOM   759  N  NE2  . HIS A 1 54  ? -24.04400 -27.06400 25.55200  1.000 30.33107  ? 373 HIS A NE2  1 
ATOM   760  H  H    . HIS A 1 54  ? -27.50800 -22.80700 28.16100  1.000 32.29613  ? 373 HIS A H    1 
ATOM   761  H  HA   . HIS A 1 54  ? -25.54300 -24.48600 28.69900  1.000 30.97344  ? 373 HIS A HA   1 
ATOM   762  H  HB2  . HIS A 1 54  ? -27.08000 -24.83800 26.90600  1.000 32.50698  ? 373 HIS A HB2  1 
ATOM   763  H  HB3  . HIS A 1 54  ? -26.40500 -23.66700 26.12900  1.000 32.50698  ? 373 HIS A HB3  1 
ATOM   764  H  HD1  . HIS A 1 54  ? -24.09000 -24.13200 25.07900  1.000 32.18983  ? 373 HIS A HD1  1 
ATOM   765  H  HD2  . HIS A 1 54  ? -25.66500 -27.23800 26.82100  1.000 35.41433  ? 373 HIS A HD2  1 
ATOM   766  H  HE1  . HIS A 1 54  ? -22.78800 -25.98600 24.40700  1.000 49.65165  ? 373 HIS A HE1  1 
ATOM   767  N  N    . ALA A 1 55  ? -24.70400 -21.66200 27.46000  1.000 23.35363  ? 374 ALA A N    1 
ATOM   768  C  CA   . ALA A 1 55  ? -23.55800 -20.77100 27.30100  1.000 24.43778  ? 374 ALA A CA   1 
ATOM   769  C  C    . ALA A 1 55  ? -22.85600 -20.54100 28.63300  1.000 32.03668  ? 374 ALA A C    1 
ATOM   770  O  O    . ALA A 1 55  ? -21.62200 -20.50000 28.69600  1.000 26.79944  ? 374 ALA A O    1 
ATOM   771  C  CB   . ALA A 1 55  ? -24.00300 -19.44200 26.69000  1.000 34.43467  ? 374 ALA A CB   1 
ATOM   772  H  H    . ALA A 1 55  ? -25.46600 -21.31300 27.26700  1.000 27.79962  ? 374 ALA A H    1 
ATOM   773  H  HA   . ALA A 1 55  ? -22.92500 -21.19300 26.70000  1.000 29.37028  ? 374 ALA A HA   1 
ATOM   774  H  HB1  . ALA A 1 55  ? -23.23500 -18.85900 26.58900  1.000 41.36655  ? 374 ALA A HB1  1 
ATOM   775  H  HB2  . ALA A 1 55  ? -24.40300 -19.60300 25.82100  1.000 41.36655  ? 374 ALA A HB2  1 
ATOM   776  H  HB3  . ALA A 1 55  ? -24.65400 -19.02000 27.27200  1.000 41.36655  ? 374 ALA A HB3  1 
ATOM   777  N  N    . ILE A 1 56  ? -23.63100 -20.39400 29.71000  1.000 26.05083  ? 375 ILE A N    1 
ATOM   778  C  CA   . ILE A 1 56  ? -23.04800 -20.27800 31.04200  1.000 39.25786  ? 375 ILE A CA   1 
ATOM   779  C  C    . ILE A 1 56  ? -22.32300 -21.56400 31.42300  1.000 26.04668  ? 375 ILE A C    1 
ATOM   780  O  O    . ILE A 1 56  ? -21.20200 -21.53000 31.94500  1.000 32.33859  ? 375 ILE A O    1 
ATOM   781  C  CB   . ILE A 1 56  ? -24.14300 -19.91400 32.06300  1.000 26.77185  ? 375 ILE A CB   1 
ATOM   782  C  CG1  . ILE A 1 56  ? -24.70900 -18.52500 31.76000  1.000 34.01070  ? 375 ILE A CG1  1 
ATOM   783  C  CG2  . ILE A 1 56  ? -23.60200 -19.97800 33.48000  1.000 29.25983  ? 375 ILE A CG2  1 
ATOM   784  C  CD1  . ILE A 1 56  ? -26.00800 -18.22400 32.47700  1.000 36.78769  ? 375 ILE A CD1  1 
ATOM   785  H  H    . ILE A 1 56  ? -24.49000 -20.36000 29.68800  1.000 31.30594  ? 375 ILE A H    1 
ATOM   786  H  HA   . ILE A 1 56  ? -22.39000 -19.56600 31.04300  1.000 47.15438  ? 375 ILE A HA   1 
ATOM   787  H  HB   . ILE A 1 56  ? -24.86100 -20.56200 31.98800  1.000 31.90148  ? 375 ILE A HB   1 
ATOM   788  H  HG12 . ILE A 1 56  ? -24.05100 -17.85600 32.00600  1.000 40.85778  ? 375 ILE A HG12 1 
ATOM   789  H  HG13 . ILE A 1 56  ? -24.85100 -18.44400 30.80400  1.000 40.85778  ? 375 ILE A HG13 1 
ATOM   790  H  HG21 . ILE A 1 56  ? -24.30600 -19.74600 34.10600  1.000 35.15675  ? 375 ILE A HG21 1 
ATOM   791  H  HG22 . ILE A 1 56  ? -23.28800 -20.87700 33.66600  1.000 35.15675  ? 375 ILE A HG22 1 
ATOM   792  H  HG23 . ILE A 1 56  ? -22.86700 -19.35300 33.57400  1.000 35.15675  ? 375 ILE A HG23 1 
ATOM   793  H  HD11 . ILE A 1 56  ? -26.30900 -17.33300 32.24100  1.000 44.19017  ? 375 ILE A HD11 1 
ATOM   794  H  HD12 . ILE A 1 56  ? -26.68000 -18.87200 32.21400  1.000 44.19017  ? 375 ILE A HD12 1 
ATOM   795  H  HD13 . ILE A 1 56  ? -25.86800 -18.27400 33.43600  1.000 44.19017  ? 375 ILE A HD13 1 
ATOM   796  N  N    . VAL A 1 57  ? -22.94300 -22.71800 31.15700  1.000 32.92916  ? 376 VAL A N    1 
ATOM   797  C  CA   . VAL A 1 57  ? -22.32300 -23.99900 31.49400  1.000 27.83260  ? 376 VAL A CA   1 
ATOM   798  C  C    . VAL A 1 57  ? -21.04700 -24.20300 30.68700  1.000 39.44799  ? 376 VAL A C    1 
ATOM   799  O  O    . VAL A 1 57  ? -20.00200 -24.58200 31.23000  1.000 32.00563  ? 376 VAL A O    1 
ATOM   800  C  CB   . VAL A 1 57  ? -23.31900 -25.15200 31.27700  1.000 48.93003  ? 376 VAL A CB   1 
ATOM   801  C  CG1  . VAL A 1 57  ? -22.58000 -26.47400 31.11500  1.000 34.02920  ? 376 VAL A CG1  1 
ATOM   802  C  CG2  . VAL A 1 57  ? -24.29800 -25.23100 32.43600  1.000 31.19604  ? 376 VAL A CG2  1 
ATOM   803  H  H    . VAL A 1 57  ? -23.71600 -22.77900 30.78500  1.000 39.55995  ? 376 VAL A H    1 
ATOM   804  H  HA   . VAL A 1 57  ? -22.08000 -23.99100 32.43300  1.000 33.17438  ? 376 VAL A HA   1 
ATOM   805  H  HB   . VAL A 1 57  ? -23.81700 -24.97800 30.46300  1.000 58.76098  ? 376 VAL A HB   1 
ATOM   806  H  HG11 . VAL A 1 57  ? -23.22100 -27.18900 30.97900  1.000 40.87999  ? 376 VAL A HG11 1 
ATOM   807  H  HG12 . VAL A 1 57  ? -21.98800 -26.42200 30.34900  1.000 40.87999  ? 376 VAL A HG12 1 
ATOM   808  H  HG13 . VAL A 1 57  ? -22.06000 -26.65400 31.91400  1.000 40.87999  ? 376 VAL A HG13 1 
ATOM   809  H  HG21 . VAL A 1 57  ? -24.91900 -25.96100 32.28600  1.000 37.21051  ? 376 VAL A HG21 1 
ATOM   810  H  HG22 . VAL A 1 57  ? -23.81100 -25.38500 33.26100  1.000 37.21051  ? 376 VAL A HG22 1 
ATOM   811  H  HG23 . VAL A 1 57  ? -24.79000 -24.39700 32.50200  1.000 37.21051  ? 376 VAL A HG23 1 
ATOM   812  N  N    . GLN A 1 58  ? -21.11000 -23.94800 29.37800  1.000 31.45111  ? 377 GLN A N    1 
ATOM   813  C  CA   . GLN A 1 58  ? -19.94000 -24.15100 28.52900  1.000 37.82516  ? 377 GLN A CA   1 
ATOM   814  C  C    . GLN A 1 58  ? -18.80300 -23.21200 28.91600  1.000 26.20370  ? 377 GLN A C    1 
ATOM   815  O  O    . GLN A 1 58  ? -17.62800 -23.59700 28.86500  1.000 37.32752  ? 377 GLN A O    1 
ATOM   816  C  CB   . GLN A 1 58  ? -20.31900 -23.96400 27.06000  1.000 30.55550  ? 377 GLN A CB   1 
ATOM   817  C  CG   . GLN A 1 58  ? -19.16300 -24.16500 26.09600  1.000 48.37102  ? 377 GLN A CG   1 
ATOM   818  C  CD   . GLN A 1 58  ? -19.61200 -24.20900 24.65300  1.000 30.82021  ? 377 GLN A CD   1 
ATOM   819  O  OE1  . GLN A 1 58  ? -20.72100 -24.64900 24.34900  1.000 49.15746  ? 377 GLN A OE1  1 
ATOM   820  N  NE2  . GLN A 1 58  ? -18.75300 -23.74900 23.75200  1.000 105.89007 ? 377 GLN A NE2  1 
ATOM   821  H  H    . GLN A 1 58  ? -21.81000 -23.66100 28.96900  1.000 37.78627  ? 377 GLN A H    1 
ATOM   822  H  HA   . GLN A 1 58  ? -19.62600 -25.05900 28.65900  1.000 45.43515  ? 377 GLN A HA   1 
ATOM   823  H  HB2  . GLN A 1 58  ? -21.02800 -24.58700 26.83600  1.000 36.71155  ? 377 GLN A HB2  1 
ATOM   824  H  HB3  . GLN A 1 58  ? -20.67800 -23.07100 26.93900  1.000 36.71155  ? 377 GLN A HB3  1 
ATOM   825  H  HG2  . GLN A 1 58  ? -18.52200 -23.44600 26.21000  1.000 58.09017  ? 377 GLN A HG2  1 
ATOM   826  H  HG3  . GLN A 1 58  ? -18.70400 -24.99100 26.31400  1.000 58.09017  ? 377 GLN A HG3  1 
ATOM   827  H  HE21 . GLN A 1 58  ? -17.98700 -23.44900 24.00200  1.000 127.11303 ? 377 GLN A HE21 1 
ATOM   828  H  HE22 . GLN A 1 58  ? -18.96300 -23.75100 22.91800  1.000 127.11303 ? 377 GLN A HE22 1 
ATOM   829  N  N    . THR A 1 59  ? -19.12900 -21.97800 29.30700  1.000 29.46355  ? 378 THR A N    1 
ATOM   830  C  CA   . THR A 1 59  ? -18.09100 -21.05000 29.74700  1.000 25.92063  ? 378 THR A CA   1 
ATOM   831  C  C    . THR A 1 59  ? -17.40900 -21.55100 31.01500  1.000 38.06790  ? 378 THR A C    1 
ATOM   832  O  O    . THR A 1 59  ? -16.18800 -21.42100 31.16500  1.000 39.91494  ? 378 THR A O    1 
ATOM   833  C  CB   . THR A 1 59  ? -18.68400 -19.65900 29.97300  1.000 33.51289  ? 378 THR A CB   1 
ATOM   834  O  OG1  . THR A 1 59  ? -19.36400 -19.22900 28.78700  1.000 34.31382  ? 378 THR A OG1  1 
ATOM   835  C  CG2  . THR A 1 59  ? -17.58500 -18.66200 30.30900  1.000 26.63762  ? 378 THR A CG2  1 
ATOM   836  H  H    . THR A 1 59  ? -19.93000 -21.66500 29.32400  1.000 35.40121  ? 378 THR A H    1 
ATOM   837  H  HA   . THR A 1 59  ? -17.42000 -20.99400 29.04900  1.000 30.88001  ? 378 THR A HA   1 
ATOM   838  H  HB   . THR A 1 59  ? -19.30800 -19.70400 30.71400  1.000 40.26041  ? 378 THR A HB   1 
ATOM   839  H  HG1  . THR A 1 59  ? -20.08300 -19.65500 28.70600  1.000 41.22154  ? 378 THR A HG1  1 
ATOM   840  H  HG21 . THR A 1 59  ? -17.97500 -17.78500 30.45000  1.000 31.74040  ? 378 THR A HG21 1 
ATOM   841  H  HG22 . THR A 1 59  ? -17.12700 -18.94500 31.11600  1.000 31.74040  ? 378 THR A HG22 1 
ATOM   842  H  HG23 . THR A 1 59  ? -16.95100 -18.62000 29.57600  1.000 31.74040  ? 378 THR A HG23 1 
ATOM   843  N  N    . LEU A 1 60  ? -18.18000 -22.13300 31.93700  1.000 29.84021  ? 379 LEU A N    1 
ATOM   844  C  CA   . LEU A 1 60  ? -17.58800 -22.71000 33.14000  1.000 31.58100  ? 379 LEU A CA   1 
ATOM   845  C  C    . LEU A 1 60  ? -16.71200 -23.91000 32.80300  1.000 30.60512  ? 379 LEU A C    1 
ATOM   846  O  O    . LEU A 1 60  ? -15.62000 -24.06600 33.36400  1.000 41.30517  ? 379 LEU A O    1 
ATOM   847  C  CB   . LEU A 1 60  ? -18.68600 -23.10900 34.12600  1.000 34.69170  ? 379 LEU A CB   1 
ATOM   848  C  CG   . LEU A 1 60  ? -19.44700 -21.97600 34.81700  1.000 41.74413  ? 379 LEU A CG   1 
ATOM   849  C  CD1  . LEU A 1 60  ? -20.64500 -22.52000 35.58000  1.000 62.30049  ? 379 LEU A CD1  1 
ATOM   850  C  CD2  . LEU A 1 60  ? -18.52400 -21.20900 35.75100  1.000 33.64920  ? 379 LEU A CD2  1 
ATOM   851  H  H    . LEU A 1 60  ? -19.03600 -22.20200 31.88400  1.000 35.85320  ? 379 LEU A H    1 
ATOM   852  H  HA   . LEU A 1 60  ? -17.02300 -22.03800 33.55200  1.000 37.94215  ? 379 LEU A HA   1 
ATOM   853  H  HB2  . LEU A 1 60  ? -19.33000 -23.66000 33.65300  1.000 41.67499  ? 379 LEU A HB2  1 
ATOM   854  H  HB3  . LEU A 1 60  ? -18.28600 -23.66600 34.81200  1.000 41.67499  ? 379 LEU A HB3  1 
ATOM   855  H  HG   . LEU A 1 60  ? -19.77200 -21.36700 34.13600  1.000 50.13790  ? 379 LEU A HG   1 
ATOM   856  H  HD11 . LEU A 1 60  ? -21.11400 -21.78800 36.01100  1.000 74.80554  ? 379 LEU A HD11 1 
ATOM   857  H  HD12 . LEU A 1 60  ? -21.24400 -22.97000 34.96400  1.000 74.80554  ? 379 LEU A HD12 1 
ATOM   858  H  HD13 . LEU A 1 60  ? -20.34200 -23.15000 36.25300  1.000 74.80554  ? 379 LEU A HD13 1 
ATOM   859  H  HD21 . LEU A 1 60  ? -19.02000 -20.49500 36.18100  1.000 40.15431  ? 379 LEU A HD21 1 
ATOM   860  H  HD22 . LEU A 1 60  ? -18.17300 -21.81100 36.42600  1.000 40.15431  ? 379 LEU A HD22 1 
ATOM   861  H  HD23 . LEU A 1 60  ? -17.79000 -20.83100 35.24200  1.000 40.15431  ? 379 LEU A HD23 1 
ATOM   862  N  N    . VAL A 1 61  ? -17.17300 -24.76900 31.89200  1.000 30.03647  ? 380 VAL A N    1 
ATOM   863  C  CA   . VAL A 1 61  ? -16.38300 -25.93100 31.49600  1.000 34.61109  ? 380 VAL A CA   1 
ATOM   864  C  C    . VAL A 1 61  ? -15.11000 -25.49300 30.78200  1.000 31.67957  ? 380 VAL A C    1 
ATOM   865  O  O    . VAL A 1 61  ? -14.04900 -26.10800 30.94400  1.000 39.28935  ? 380 VAL A O    1 
ATOM   866  C  CB   . VAL A 1 61  ? -17.23000 -26.87800 30.62600  1.000 31.41639  ? 380 VAL A CB   1 
ATOM   867  C  CG1  . VAL A 1 61  ? -16.38800 -28.03500 30.11400  1.000 37.62559  ? 380 VAL A CG1  1 
ATOM   868  C  CG2  . VAL A 1 61  ? -18.42000 -27.39900 31.41800  1.000 38.06241  ? 380 VAL A CG2  1 
ATOM   869  H  H    . VAL A 1 61  ? -17.93300 -24.69700 31.49600  1.000 35.81903  ? 380 VAL A H    1 
ATOM   870  H  HA   . VAL A 1 61  ? -16.11600 -26.41900 32.29100  1.000 41.57826  ? 380 VAL A HA   1 
ATOM   871  H  HB   . VAL A 1 61  ? -17.55900 -26.37900 29.86200  1.000 37.47493  ? 380 VAL A HB   1 
ATOM   872  H  HG11 . VAL A 1 61  ? -16.93800 -28.61900 29.56900  1.000 45.19565  ? 380 VAL A HG11 1 
ATOM   873  H  HG12 . VAL A 1 61  ? -15.65500 -27.69100 29.58000  1.000 45.19565  ? 380 VAL A HG12 1 
ATOM   874  H  HG13 . VAL A 1 61  ? -16.03300 -28.53400 30.86600  1.000 45.19565  ? 380 VAL A HG13 1 
ATOM   875  H  HG21 . VAL A 1 61  ? -18.94500 -27.99400 30.86000  1.000 45.71984  ? 380 VAL A HG21 1 
ATOM   876  H  HG22 . VAL A 1 61  ? -18.10400 -27.88300 32.19700  1.000 45.71984  ? 380 VAL A HG22 1 
ATOM   877  H  HG23 . VAL A 1 61  ? -18.97100 -26.65300 31.70300  1.000 45.71984  ? 380 VAL A HG23 1 
ATOM   878  N  N    . HIS A 1 62  ? -15.19000 -24.42100 29.99100  1.000 30.53271  ? 381 HIS A N    1 
ATOM   879  C  CA   . HIS A 1 62  ? -13.99900 -23.92100 29.31300  1.000 34.40880  ? 381 HIS A CA   1 
ATOM   880  C  C    . HIS A 1 62  ? -12.97400 -23.38400 30.30100  1.000 32.77953  ? 381 HIS A C    1 
ATOM   881  O  O    . HIS A 1 62  ? -11.76700 -23.50500 30.06800  1.000 35.20947  ? 381 HIS A O    1 
ATOM   882  C  CB   . HIS A 1 62  ? -14.37200 -22.83400 28.30800  1.000 30.55360  ? 381 HIS A CB   1 
ATOM   883  C  CG   . HIS A 1 62  ? -13.18900 -22.11600 27.73800  1.000 45.52646  ? 381 HIS A CG   1 
ATOM   884  N  ND1  . HIS A 1 62  ? -12.43300 -22.62900 26.70700  1.000 44.34207  ? 381 HIS A ND1  1 
ATOM   885  C  CD2  . HIS A 1 62  ? -12.61900 -20.93300 28.07000  1.000 38.18788  ? 381 HIS A CD2  1 
ATOM   886  C  CE1  . HIS A 1 62  ? -11.45700 -21.78800 26.41800  1.000 55.01351  ? 381 HIS A CE1  1 
ATOM   887  N  NE2  . HIS A 1 62  ? -11.54600 -20.75100 27.23200  1.000 38.32510  ? 381 HIS A NE2  1 
ATOM   888  H  H    . HIS A 1 62  ? -15.91100 -23.97800 29.83700  1.000 36.68420  ? 381 HIS A H    1 
ATOM   889  H  HA   . HIS A 1 62  ? -13.59900 -24.66800 28.84100  1.000 41.33551  ? 381 HIS A HA   1 
ATOM   890  H  HB2  . HIS A 1 62  ? -14.87900 -23.23300 27.58400  1.000 36.43958  ? 381 HIS A HB2  1 
ATOM   891  H  HB3  . HIS A 1 62  ? -14.95500 -22.19000 28.74000  1.000 36.43958  ? 381 HIS A HB3  1 
ATOM   892  H  HD1  . HIS A 1 62  ? -12.57500 -23.38000 26.31300  1.000 53.25543  ? 381 HIS A HD1  1 
ATOM   893  H  HD2  . HIS A 1 62  ? -12.90100 -20.35300 28.74000  1.000 45.87041  ? 381 HIS A HD2  1 
ATOM   894  H  HE1  . HIS A 1 62  ? -10.81600 -21.90600 25.75400  1.000 66.06116  ? 381 HIS A HE1  1 
ATOM   895  N  N    . LEU A 1 63  ? -13.42900 -22.78900 31.40600  1.000 41.12625  ? 382 LEU A N    1 
ATOM   896  C  CA   . LEU A 1 63  ? -12.49200 -22.24200 32.38100  1.000 34.11050  ? 382 LEU A CA   1 
ATOM   897  C  C    . LEU A 1 63  ? -11.65100 -23.34200 33.01700  1.000 36.10374  ? 382 LEU A C    1 
ATOM   898  O  O    . LEU A 1 63  ? -10.45800 -23.14900 33.27900  1.000 40.58178  ? 382 LEU A O    1 
ATOM   899  C  CB   . LEU A 1 63  ? -13.24400 -21.45600 33.45300  1.000 47.24957  ? 382 LEU A CB   1 
ATOM   900  C  CG   . LEU A 1 63  ? -12.35100 -20.61900 34.36900  1.000 76.74073  ? 382 LEU A CG   1 
ATOM   901  C  CD1  . LEU A 1 63  ? -11.72700 -19.47700 33.58600  1.000 112.98756 ? 382 LEU A CD1  1 
ATOM   902  C  CD2  . LEU A 1 63  ? -13.13200 -20.09800 35.55900  1.000 83.70951  ? 382 LEU A CD2  1 
ATOM   903  H  H    . LEU A 1 63  ? -14.26000 -22.69400 31.60500  1.000 49.39645  ? 382 LEU A H    1 
ATOM   904  H  HA   . LEU A 1 63  ? -11.89000 -21.64100 31.91500  1.000 40.70786  ? 382 LEU A HA   1 
ATOM   905  H  HB2  . LEU A 1 63  ? -13.88300 -20.86900 33.01900  1.000 56.74443  ? 382 LEU A HB2  1 
ATOM   906  H  HB3  . LEU A 1 63  ? -13.75300 -22.07800 33.99600  1.000 56.74443  ? 382 LEU A HB3  1 
ATOM   907  H  HG   . LEU A 1 63  ? -11.64000 -21.18500 34.70900  1.000 92.13383  ? 382 LEU A HG   1 
ATOM   908  H  HD11 . LEU A 1 63  ? -11.16300 -18.95100 34.17400  1.000 135.63002 ? 382 LEU A HD11 1 
ATOM   909  H  HD12 . LEU A 1 63  ? -11.19200 -19.83600 32.86100  1.000 135.63002 ? 382 LEU A HD12 1 
ATOM   910  H  HD13 . LEU A 1 63  ? -12.42700 -18.91300 33.22200  1.000 135.63002 ? 382 LEU A HD13 1 
ATOM   911  H  HD21 . LEU A 1 63  ? -12.54600 -19.57100 36.12500  1.000 100.49636 ? 382 LEU A HD21 1 
ATOM   912  H  HD22 . LEU A 1 63  ? -13.86500 -19.54400 35.24800  1.000 100.49636 ? 382 LEU A HD22 1 
ATOM   913  H  HD23 . LEU A 1 63  ? -13.48500 -20.84500 36.06700  1.000 100.49636 ? 382 LEU A HD23 1 
ATOM   914  N  N    . LYS A 1 64  ? -12.25300 -24.50400 33.26900  1.000 49.96620  ? 383 LYS A N    1 
ATOM   915  C  CA   . LYS A 1 64  ? -11.54300 -25.61100 33.89500  1.000 38.11557  ? 383 LYS A CA   1 
ATOM   916  C  C    . LYS A 1 64  ? -10.87700 -26.53500 32.88600  1.000 46.68656  ? 383 LYS A C    1 
ATOM   917  O  O    . LYS A 1 64  ? -9.98500  -27.30400 33.26400  1.000 80.23726  ? 383 LYS A O    1 
ATOM   918  C  CB   . LYS A 1 64  ? -12.50300 -26.41900 34.77400  1.000 53.15119  ? 383 LYS A CB   1 
ATOM   919  C  CG   . LYS A 1 64  ? -11.85500 -27.04100 36.00100  1.000 88.27847  ? 383 LYS A CG   1 
ATOM   920  C  CD   . LYS A 1 64  ? -12.89500 -27.70200 36.89200  1.000 58.38130  ? 383 LYS A CD   1 
ATOM   921  C  CE   . LYS A 1 64  ? -12.30700 -28.09500 38.23900  1.000 51.53878  ? 383 LYS A CE   1 
ATOM   922  N  NZ   . LYS A 1 64  ? -11.17700 -29.05600 38.10100  1.000 83.06595  ? 383 LYS A NZ   1 
ATOM   923  H  H    . LYS A 1 64  ? -13.07600 -24.66900 33.08300  1.000 60.00439  ? 383 LYS A H    1 
ATOM   924  H  HA   . LYS A 1 64  ? -10.83900 -25.22100 34.43600  1.000 45.51394  ? 383 LYS A HA   1 
ATOM   925  H  HB2  . LYS A 1 64  ? -13.22600 -25.84000 35.06200  1.000 63.82638  ? 383 LYS A HB2  1 
ATOM   926  H  HB3  . LYS A 1 64  ? -12.90000 -27.12400 34.23800  1.000 63.82638  ? 383 LYS A HB3  1 
ATOM   927  H  HG2  . LYS A 1 64  ? -11.19700 -27.69800 35.72500  1.000 105.97912 ? 383 LYS A HG2  1 
ATOM   928  H  HG3  . LYS A 1 64  ? -11.38200 -26.35800 36.50200  1.000 105.97912 ? 383 LYS A HG3  1 
ATOM   929  H  HD2  . LYS A 1 64  ? -13.63900 -27.09500 37.02700  1.000 70.10251  ? 383 LYS A HD2  1 
ATOM   930  H  HD3  . LYS A 1 64  ? -13.24800 -28.49000 36.45000  1.000 70.10251  ? 383 LYS A HD3  1 
ATOM   931  H  HE2  . LYS A 1 64  ? -11.99800 -27.29900 38.70000  1.000 61.89148  ? 383 LYS A HE2  1 
ATOM   932  H  HE3  . LYS A 1 64  ? -13.00100 -28.49100 38.79000  1.000 61.89148  ? 383 LYS A HE3  1 
ATOM   933  H  HZ1  . LYS A 1 64  ? -10.87100 -29.27200 38.90800  1.000 99.72408  ? 383 LYS A HZ1  1 
ATOM   934  H  HZ2  . LYS A 1 64  ? -11.46000 -29.79000 37.68500  1.000 99.72408  ? 383 LYS A HZ2  1 
ATOM   935  H  HZ3  . LYS A 1 64  ? -10.52400 -28.68100 37.62700  1.000 99.72408  ? 383 LYS A HZ3  1 
ATOM   936  N  N    . PHE A 1 65  ? -11.28300 -26.47900 31.61900  1.000 60.30278  ? 384 PHE A N    1 
ATOM   937  C  CA   . PHE A 1 65  ? -10.67800 -27.27900 30.55200  1.000 62.59035  ? 384 PHE A CA   1 
ATOM   938  C  C    . PHE A 1 65  ? -10.53000 -26.40300 29.31500  1.000 49.78734  ? 384 PHE A C    1 
ATOM   939  O  O    . PHE A 1 65  ? -11.27300 -26.54600 28.33600  1.000 76.08586  ? 384 PHE A O    1 
ATOM   940  C  CB   . PHE A 1 65  ? -11.52100 -28.52100 30.25500  1.000 59.65251  ? 384 PHE A CB   1 
ATOM   941  C  CG   . PHE A 1 65  ? -11.76000 -29.39500 31.45400  1.000 45.04749  ? 384 PHE A CG   1 
ATOM   942  C  CD1  . PHE A 1 65  ? -10.84400 -30.37100 31.81100  1.000 90.35313  ? 384 PHE A CD1  1 
ATOM   943  C  CD2  . PHE A 1 65  ? -12.90200 -29.24000 32.22400  1.000 53.55899  ? 384 PHE A CD2  1 
ATOM   944  C  CE1  . PHE A 1 65  ? -11.06200 -31.17500 32.91500  1.000 92.55782  ? 384 PHE A CE1  1 
ATOM   945  C  CE2  . PHE A 1 65  ? -13.12500 -30.04200 33.32900  1.000 68.08692  ? 384 PHE A CE2  1 
ATOM   946  C  CZ   . PHE A 1 65  ? -12.20300 -31.01100 33.67400  1.000 65.00503  ? 384 PHE A CZ   1 
ATOM   947  H  H    . PHE A 1 65  ? -11.92300 -25.97100 31.35100  1.000 72.40829  ? 384 PHE A H    1 
ATOM   948  H  HA   . PHE A 1 65  ? -9.80400  -27.59200 30.83200  1.000 75.15336  ? 384 PHE A HA   1 
ATOM   949  H  HB2  . PHE A 1 65  ? -12.37700 -28.24200 29.89400  1.000 71.62796  ? 384 PHE A HB2  1 
ATOM   950  H  HB3  . PHE A 1 65  ? -11.08000 -29.04400 29.56700  1.000 71.62796  ? 384 PHE A HB3  1 
ATOM   951  H  HD1  . PHE A 1 65  ? -10.07400 -30.48700 31.30300  1.000 108.46870 ? 384 PHE A HD1  1 
ATOM   952  H  HD2  . PHE A 1 65  ? -13.52600 -28.58900 31.99500  1.000 64.31574  ? 384 PHE A HD2  1 
ATOM   953  H  HE1  . PHE A 1 65  ? -10.44000 -31.82600 33.14600  1.000 111.11433 ? 384 PHE A HE1  1 
ATOM   954  H  HE2  . PHE A 1 65  ? -13.89500 -29.92900 33.83900  1.000 81.74925  ? 384 PHE A HE2  1 
ATOM   955  H  HZ   . PHE A 1 65  ? -12.35100 -31.55200 34.41600  1.000 78.05099  ? 384 PHE A HZ   1 
ATOM   956  N  N    . PRO A 1 66  ? -9.56800  -25.47500 29.32600  1.000 54.36582  ? 385 PRO A N    1 
ATOM   957  C  CA   . PRO A 1 66  ? -9.45400  -24.53400 28.19900  1.000 54.21971  ? 385 PRO A CA   1 
ATOM   958  C  C    . PRO A 1 66  ? -9.06000  -25.19500 26.89200  1.000 51.20829  ? 385 PRO A C    1 
ATOM   959  O  O    . PRO A 1 66  ? -9.48300  -24.72600 25.82800  1.000 60.43953  ? 385 PRO A O    1 
ATOM   960  C  CB   . PRO A 1 66  ? -8.37700  -23.54400 28.67000  1.000 56.82027  ? 385 PRO A CB   1 
ATOM   961  C  CG   . PRO A 1 66  ? -8.27600  -23.74300 30.15600  1.000 72.43407  ? 385 PRO A CG   1 
ATOM   962  C  CD   . PRO A 1 66  ? -8.59000  -25.18500 30.38700  1.000 47.95302  ? 385 PRO A CD   1 
ATOM   963  H  HA   . PRO A 1 66  ? -10.30700 -24.11800 27.99600  1.000 65.10860  ? 385 PRO A HA   1 
ATOM   964  H  HB2  . PRO A 1 66  ? -7.52800  -23.71800 28.23500  1.000 68.22927  ? 385 PRO A HB2  1 
ATOM   965  H  HB3  . PRO A 1 66  ? -8.62300  -22.63100 28.45500  1.000 68.22927  ? 385 PRO A HB3  1 
ATOM   966  H  HG2  . PRO A 1 66  ? -7.38800  -23.52300 30.47800  1.000 86.96583  ? 385 PRO A HG2  1 
ATOM   967  H  HG3  . PRO A 1 66  ? -8.90000  -23.17000 30.62800  1.000 86.96583  ? 385 PRO A HG3  1 
ATOM   968  H  HD2  . PRO A 1 66  ? -7.80000  -25.74300 30.31200  1.000 57.58857  ? 385 PRO A HD2  1 
ATOM   969  H  HD3  . PRO A 1 66  ? -8.96100  -25.33600 31.27000  1.000 57.58857  ? 385 PRO A HD3  1 
ATOM   970  N  N    . THR A 1 67  ? -8.26400  -26.26400 26.93300  1.000 52.34924  ? 386 THR A N    1 
ATOM   971  C  CA   . THR A 1 67  ? -7.79700  -26.90400 25.71000  1.000 57.99830  ? 386 THR A CA   1 
ATOM   972  C  C    . THR A 1 67  ? -8.81500  -27.87200 25.12200  1.000 54.83388  ? 386 THR A C    1 
ATOM   973  O  O    . THR A 1 67  ? -8.73600  -28.18100 23.92800  1.000 101.76631 ? 386 THR A O    1 
ATOM   974  C  CB   . THR A 1 67  ? -6.48600  -27.64900 25.97000  1.000 72.15715  ? 386 THR A CB   1 
ATOM   975  O  OG1  . THR A 1 67  ? -6.71600  -28.71700 26.89700  1.000 71.80536  ? 386 THR A OG1  1 
ATOM   976  C  CG2  . THR A 1 67  ? -5.44200  -26.70300 26.54500  1.000 77.13587  ? 386 THR A CG2  1 
ATOM   977  H  H    . THR A 1 67  ? -7.98500  -26.63100 27.65900  1.000 62.86404  ? 386 THR A H    1 
ATOM   978  H  HA   . THR A 1 67  ? -7.66000  -26.19400 25.06300  1.000 69.64291  ? 386 THR A HA   1 
ATOM   979  H  HB   . THR A 1 67  ? -6.16000  -28.00600 25.12900  1.000 86.63352  ? 386 THR A HB   1 
ATOM   980  H  HG1  . THR A 1 67  ? -5.98000  -29.03800 27.14300  1.000 86.21138  ? 386 THR A HG1  1 
ATOM   981  H  HG21 . THR A 1 67  ? -4.61800  -27.18900 26.70400  1.000 92.60800  ? 386 THR A HG21 1 
ATOM   982  H  HG22 . THR A 1 67  ? -5.27600  -25.98300 25.91600  1.000 92.60800  ? 386 THR A HG22 1 
ATOM   983  H  HG23 . THR A 1 67  ? -5.76600  -26.33300 27.38100  1.000 92.60800  ? 386 THR A HG23 1 
ATOM   984  N  N    . LYS A 1 68  ? -9.76300  -28.35400 25.92400  1.000 77.06922  ? 387 LYS A N    1 
ATOM   985  C  CA   . LYS A 1 68  ? -10.73700 -29.32900 25.44800  1.000 79.59415  ? 387 LYS A CA   1 
ATOM   986  C  C    . LYS A 1 68  ? -12.00800 -28.67700 24.92000  1.000 45.54038  ? 387 LYS A C    1 
ATOM   987  O  O    . LYS A 1 68  ? -12.50900 -29.07000 23.86100  1.000 101.26326 ? 387 LYS A O    1 
ATOM   988  C  CB   . LYS A 1 68  ? -11.09000 -30.31000 26.57000  1.000 97.34874  ? 387 LYS A CB   1 
ATOM   989  C  CG   . LYS A 1 68  ? -9.90900  -31.10900 27.09800  1.000 103.34043 ? 387 LYS A CG   1 
ATOM   990  C  CD   . LYS A 1 68  ? -10.34000 -32.05400 28.20800  1.000 108.23788 ? 387 LYS A CD   1 
ATOM   991  C  CE   . LYS A 1 68  ? -9.16500  -32.85700 28.74100  1.000 112.30471 ? 387 LYS A CE   1 
ATOM   992  N  NZ   . LYS A 1 68  ? -9.57300  -33.77900 29.83600  1.000 99.29918  ? 387 LYS A NZ   1 
ATOM   993  H  H    . LYS A 1 68  ? -9.85800  -28.12800 26.74800  1.000 92.52801  ? 387 LYS A H    1 
ATOM   994  H  HA   . LYS A 1 68  ? -10.32500 -29.80300 24.70900  1.000 95.55792  ? 387 LYS A HA   1 
ATOM   995  H  HB2  . LYS A 1 68  ? -11.48700 -29.81600 27.30400  1.000 116.86343 ? 387 LYS A HB2  1 
ATOM   996  H  HB3  . LYS A 1 68  ? -11.76500 -30.92700 26.24600  1.000 116.86343 ? 387 LYS A HB3  1 
ATOM   997  H  HG2  . LYS A 1 68  ? -9.50900  -31.61600 26.37500  1.000 124.05347 ? 387 LYS A HG2  1 
ATOM   998  H  HG3  . LYS A 1 68  ? -9.22800  -30.50400 27.43100  1.000 124.05347 ? 387 LYS A HG3  1 
ATOM   999  H  HD2  . LYS A 1 68  ? -10.74100 -31.54600 28.93000  1.000 129.93040 ? 387 LYS A HD2  1 
ATOM   1000 H  HD3  . LYS A 1 68  ? -11.02200 -32.65800 27.87400  1.000 129.93040 ? 387 LYS A HD3  1 
ATOM   1001 H  HE2  . LYS A 1 68  ? -8.76900  -33.36900 28.01800  1.000 134.81060 ? 387 LYS A HE2  1 
ATOM   1002 H  HE3  . LYS A 1 68  ? -8.48100  -32.25100 29.06700  1.000 134.81060 ? 387 LYS A HE3  1 
ATOM   1003 H  HZ1  . LYS A 1 68  ? -8.97700  -33.73900 30.49600  1.000 119.20397 ? 387 LYS A HZ1  1 
ATOM   1004 H  HZ2  . LYS A 1 68  ? -10.37300 -33.53900 30.14400  1.000 119.20397 ? 387 LYS A HZ2  1 
ATOM   1005 H  HZ3  . LYS A 1 68  ? -9.61300  -34.61200 29.52400  1.000 119.20397 ? 387 LYS A HZ3  1 
ATOM   1006 N  N    . VAL A 1 69  ? -12.54200 -27.68900 25.63400  1.000 82.20671  ? 388 VAL A N    1 
ATOM   1007 C  CA   . VAL A 1 69  ? -13.81600 -27.06900 25.29900  1.000 46.61847  ? 388 VAL A CA   1 
ATOM   1008 C  C    . VAL A 1 69  ? -13.60500 -25.57700 25.09400  1.000 42.84104  ? 388 VAL A C    1 
ATOM   1009 O  O    . VAL A 1 69  ? -12.91500 -24.92200 25.88300  1.000 45.44099  ? 388 VAL A O    1 
ATOM   1010 C  CB   . VAL A 1 69  ? -14.87200 -27.31800 26.39700  1.000 72.55563  ? 388 VAL A CB   1 
ATOM   1011 C  CG1  . VAL A 1 69  ? -16.24400 -26.84600 25.93700  1.000 43.97624  ? 388 VAL A CG1  1 
ATOM   1012 C  CG2  . VAL A 1 69  ? -14.90000 -28.78800 26.78200  1.000 94.69730  ? 388 VAL A CG2  1 
ATOM   1013 H  H    . VAL A 1 69  ? -12.16900 -27.35800 26.33400  1.000 98.69300  ? 388 VAL A H    1 
ATOM   1014 H  HA   . VAL A 1 69  ? -14.15000 -27.46900 24.48100  1.000 55.98711  ? 388 VAL A HA   1 
ATOM   1015 H  HB   . VAL A 1 69  ? -14.62800 -26.80500 27.18300  1.000 87.11171  ? 388 VAL A HB   1 
ATOM   1016 H  HG11 . VAL A 1 69  ? -16.89400 -27.01000 26.63800  1.000 52.81643  ? 388 VAL A HG11 1 
ATOM   1017 H  HG12 . VAL A 1 69  ? -16.21100 -25.89600 25.74200  1.000 52.81643  ? 388 VAL A HG12 1 
ATOM   1018 H  HG13 . VAL A 1 69  ? -16.50200 -27.33100 25.13700  1.000 52.81643  ? 388 VAL A HG13 1 
ATOM   1019 H  HG21 . VAL A 1 69  ? -15.56700 -28.92900 27.47200  1.000 113.68170 ? 388 VAL A HG21 1 
ATOM   1020 H  HG22 . VAL A 1 69  ? -15.12200 -29.32200 26.00400  1.000 113.68170 ? 388 VAL A HG22 1 
ATOM   1021 H  HG23 . VAL A 1 69  ? -14.02900 -29.05200 27.11700  1.000 113.68170 ? 388 VAL A HG23 1 
ATOM   1022 N  N    . GLY A 1 70  ? -14.20600 -25.04100 24.03100  1.000 46.66855  ? 389 GLY A N    1 
ATOM   1023 C  CA   . GLY A 1 70  ? -14.19800 -23.61300 23.81100  1.000 40.13114  ? 389 GLY A CA   1 
ATOM   1024 C  C    . GLY A 1 70  ? -15.23500 -22.90000 24.65800  1.000 36.12499  ? 389 GLY A C    1 
ATOM   1025 O  O    . GLY A 1 70  ? -16.10100 -23.51000 25.28500  1.000 48.11474  ? 389 GLY A O    1 
ATOM   1026 H  H    . GLY A 1 70  ? -14.62200 -25.49500 23.43000  1.000 56.04720  ? 389 GLY A H    1 
ATOM   1027 H  HA2  . GLY A 1 70  ? -13.31800 -23.26000 24.01500  1.000 48.20232  ? 389 GLY A HA2  1 
ATOM   1028 H  HA3  . GLY A 1 70  ? -14.36700 -23.43000 22.87300  1.000 48.20232  ? 389 GLY A HA3  1 
ATOM   1029 N  N    . LYS A 1 71  ? -15.13800 -21.57500 24.67300  1.000 37.93549  ? 390 LYS A N    1 
ATOM   1030 C  CA   . LYS A 1 71  ? -16.04500 -20.75500 25.45800  1.000 53.81143  ? 390 LYS A CA   1 
ATOM   1031 C  C    . LYS A 1 71  ? -17.22800 -20.30400 24.60200  1.000 27.84626  ? 390 LYS A C    1 
ATOM   1032 O  O    . LYS A 1 71  ? -17.29900 -20.57000 23.40000  1.000 42.66198  ? 390 LYS A O    1 
ATOM   1033 C  CB   . LYS A 1 71  ? -15.29900 -19.56300 26.05300  1.000 84.82819  ? 390 LYS A CB   1 
ATOM   1034 C  CG   . LYS A 1 71  ? -14.46100 -18.78900 25.05100  1.000 86.95884  ? 390 LYS A CG   1 
ATOM   1035 C  CD   . LYS A 1 71  ? -13.63100 -17.72200 25.74800  1.000 104.56826 ? 390 LYS A CD   1 
ATOM   1036 C  CE   . LYS A 1 71  ? -12.70900 -17.01000 24.77200  1.000 108.17611 ? 390 LYS A CE   1 
ATOM   1037 N  NZ   . LYS A 1 71  ? -11.85700 -15.99700 25.45500  1.000 110.39405 ? 390 LYS A NZ   1 
ATOM   1038 H  H    . LYS A 1 71  ? -14.54900 -21.13100 24.23100  1.000 45.56754  ? 390 LYS A H    1 
ATOM   1039 H  HA   . LYS A 1 71  ? -16.39500 -21.28300 26.19200  1.000 64.61867  ? 390 LYS A HA   1 
ATOM   1040 H  HB2  . LYS A 1 71  ? -15.94300 -18.95900 26.45500  1.000 101.83878 ? 390 LYS A HB2  1 
ATOM   1041 H  HB3  . LYS A 1 71  ? -14.72200 -19.87900 26.76600  1.000 101.83878 ? 390 LYS A HB3  1 
ATOM   1042 H  HG2  . LYS A 1 71  ? -13.87600 -19.39800 24.57300  1.000 104.39555 ? 390 LYS A HG2  1 
ATOM   1043 H  HG3  . LYS A 1 71  ? -15.03900 -18.37500 24.39100  1.000 104.39555 ? 390 LYS A HG3  1 
ATOM   1044 H  HD2  . LYS A 1 71  ? -14.22000 -17.07600 26.16900  1.000 125.52686 ? 390 LYS A HD2  1 
ATOM   1045 H  HD3  . LYS A 1 71  ? -13.10500 -18.12900 26.45400  1.000 125.52686 ? 390 LYS A HD3  1 
ATOM   1046 H  HE2  . LYS A 1 71  ? -12.14400 -17.66100 24.32700  1.000 129.85628 ? 390 LYS A HE2  1 
ATOM   1047 H  HE3  . LYS A 1 71  ? -13.23800 -16.57700 24.08400  1.000 129.85628 ? 390 LYS A HE3  1 
ATOM   1048 H  HZ1  . LYS A 1 71  ? -11.09000 -15.90700 25.01300  1.000 132.51781 ? 390 LYS A HZ1  1 
ATOM   1049 H  HZ2  . LYS A 1 71  ? -12.28200 -15.21500 25.47300  1.000 132.51781 ? 390 LYS A HZ2  1 
ATOM   1050 H  HZ3  . LYS A 1 71  ? -11.68900 -16.26300 26.28800  1.000 132.51781 ? 390 LYS A HZ3  1 
ATOM   1051 N  N    . ALA A 1 72  ? -18.17400 -19.61400 25.23500  1.000 55.06754  ? 391 ALA A N    1 
ATOM   1052 C  CA   . ALA A 1 72  ? -19.34600 -19.12200 24.53000  1.000 27.93974  ? 391 ALA A CA   1 
ATOM   1053 C  C    . ALA A 1 72  ? -18.95300 -18.05400 23.51700  1.000 39.30638  ? 391 ALA A C    1 
ATOM   1054 O  O    . ALA A 1 72  ? -17.86700 -17.47000 23.57100  1.000 33.29836  ? 391 ALA A O    1 
ATOM   1055 C  CB   . ALA A 1 72  ? -20.37000 -18.55900 25.51600  1.000 50.02498  ? 391 ALA A CB   1 
ATOM   1056 H  H    . ALA A 1 72  ? -18.15300 -19.42200 26.07300  1.000 66.12600  ? 391 ALA A H    1 
ATOM   1057 H  HA   . ALA A 1 72  ? -19.74800 -19.86700 24.05600  1.000 33.57263  ? 391 ALA A HA   1 
ATOM   1058 H  HB1  . ALA A 1 72  ? -21.14400 -18.23600 25.02900  1.000 60.07492  ? 391 ALA A HB1  1 
ATOM   1059 H  HB2  . ALA A 1 72  ? -20.64400 -19.25700 26.13200  1.000 60.07492  ? 391 ALA A HB2  1 
ATOM   1060 H  HB3  . ALA A 1 72  ? -19.97200 -17.82700 26.01300  1.000 60.07492  ? 391 ALA A HB3  1 
ATOM   1061 N  N    . CYS A 1 73  ? -19.86200 -17.79800 22.58400  1.000 26.37031  ? 392 CYS A N    1 
ATOM   1062 C  CA   . CYS A 1 73  ? -19.59900 -16.89500 21.47500  1.000 40.76687  ? 392 CYS A CA   1 
ATOM   1063 C  C    . CYS A 1 73  ? -20.57500 -15.72900 21.51800  1.000 27.63045  ? 392 CYS A C    1 
ATOM   1064 O  O    . CYS A 1 73  ? -21.76900 -15.91000 21.77700  1.000 33.51085  ? 392 CYS A O    1 
ATOM   1065 C  CB   . CYS A 1 73  ? -19.71100 -17.63800 20.13600  1.000 37.18107  ? 392 CYS A CB   1 
ATOM   1066 S  SG   . CYS A 1 73  ? -18.80700 -16.90800 18.75000  1.000 72.43574  ? 392 CYS A SG   1 
ATOM   1067 H  H    . CYS A 1 73  ? -20.64900 -18.14400 22.57700  1.000 31.41963  ? 392 CYS A H    1 
ATOM   1068 H  HA   . CYS A 1 73  ? -18.69500 -16.55300 21.55700  1.000 48.96519  ? 392 CYS A HA   1 
ATOM   1069 H  HB2  . CYS A 1 73  ? -19.39600 -18.54700 20.26300  1.000 44.66223  ? 392 CYS A HB2  1 
ATOM   1070 H  HB3  . CYS A 1 73  ? -20.64900 -17.69400 19.89400  1.000 44.66223  ? 392 CYS A HB3  1 
ATOM   1071 N  N    . CYS A 1 74  ? -20.05200 -14.53200 21.27400  1.000 40.42318  ? 393 CYS A N    1 
ATOM   1072 C  CA   . CYS A 1 74  ? -20.86200 -13.32300 21.17800  1.000 42.98931  ? 393 CYS A CA   1 
ATOM   1073 C  C    . CYS A 1 74  ? -21.41700 -13.22200 19.76100  1.000 35.02247  ? 393 CYS A C    1 
ATOM   1074 O  O    . CYS A 1 74  ? -20.68100 -12.89400 18.82300  1.000 52.51241  ? 393 CYS A O    1 
ATOM   1075 C  CB   . CYS A 1 74  ? -20.00700 -12.11100 21.53600  1.000 36.96275  ? 393 CYS A CB   1 
ATOM   1076 S  SG   . CYS A 1 74  ? -20.82300 -10.52400 21.40500  1.000 39.09432  ? 393 CYS A SG   1 
ATOM   1077 H  H    . CYS A 1 74  ? -19.21000 -14.39800 21.15900  1.000 48.55276  ? 393 CYS A H    1 
ATOM   1078 H  HA   . CYS A 1 74  ? -21.60600 -13.35400 21.80000  1.000 51.63211  ? 393 CYS A HA   1 
ATOM   1079 H  HB2  . CYS A 1 74  ? -19.68700 -12.21800 22.44500  1.000 44.40025  ? 393 CYS A HB2  1 
ATOM   1080 H  HB3  . CYS A 1 74  ? -19.22700 -12.10400 20.96000  1.000 44.40025  ? 393 CYS A HB3  1 
ATOM   1081 N  N    . VAL A 1 75  ? -22.70600 -13.51200 19.59800  1.000 39.60789  ? 394 VAL A N    1 
ATOM   1082 C  CA   . VAL A 1 75  ? -23.30600 -13.63700 18.26900  1.000 41.05433  ? 394 VAL A CA   1 
ATOM   1083 C  C    . VAL A 1 75  ? -24.59300 -12.82700 18.22600  1.000 33.30219  ? 394 VAL A C    1 
ATOM   1084 O  O    . VAL A 1 75  ? -25.16300 -12.47500 19.27100  1.000 38.36153  ? 394 VAL A O    1 
ATOM   1085 C  CB   . VAL A 1 75  ? -23.58600 -15.11400 17.90500  1.000 44.30169  ? 394 VAL A CB   1 
ATOM   1086 C  CG1  . VAL A 1 75  ? -22.29200 -15.85800 17.63700  1.000 40.03611  ? 394 VAL A CG1  1 
ATOM   1087 C  CG2  . VAL A 1 75  ? -24.38400 -15.78400 19.01500  1.000 46.81279  ? 394 VAL A CG2  1 
ATOM   1088 H  H    . VAL A 1 75  ? -23.25400 -13.64100 20.24800  1.000 47.57442  ? 394 VAL A H    1 
ATOM   1089 H  HA   . VAL A 1 75  ? -22.67800 -13.29400 17.61400  1.000 49.31014  ? 394 VAL A HA   1 
ATOM   1090 H  HB   . VAL A 1 75  ? -24.11300 -15.13900 17.09100  1.000 53.20698  ? 394 VAL A HB   1 
ATOM   1091 H  HG11 . VAL A 1 75  ? -22.49000 -16.78000 17.41100  1.000 48.08828  ? 394 VAL A HG11 1 
ATOM   1092 H  HG12 . VAL A 1 75  ? -21.82400 -15.43800 16.89900  1.000 48.08828  ? 394 VAL A HG12 1 
ATOM   1093 H  HG13 . VAL A 1 75  ? -21.73400 -15.83200 18.43000  1.000 48.08828  ? 394 VAL A HG13 1 
ATOM   1094 H  HG21 . VAL A 1 75  ? -24.55500 -16.70900 18.77800  1.000 56.22030  ? 394 VAL A HG21 1 
ATOM   1095 H  HG22 . VAL A 1 75  ? -23.87900 -15.75000 19.84200  1.000 56.22030  ? 394 VAL A HG22 1 
ATOM   1096 H  HG23 . VAL A 1 75  ? -25.22800 -15.32000 19.13300  1.000 56.22030  ? 394 VAL A HG23 1 
ATOM   1097 N  N    . PRO A 1 76  ? -25.08300 -12.51700 17.02400  1.000 37.74874  ? 395 PRO A N    1 
ATOM   1098 C  CA   . PRO A 1 76  ? -26.39500 -11.86300 16.90900  1.000 39.78726  ? 395 PRO A CA   1 
ATOM   1099 C  C    . PRO A 1 76  ? -27.51300 -12.77600 17.39200  1.000 40.72755  ? 395 PRO A C    1 
ATOM   1100 O  O    . PRO A 1 76  ? -27.61100 -13.93600 16.98400  1.000 37.76988  ? 395 PRO A O    1 
ATOM   1101 C  CB   . PRO A 1 76  ? -26.51700 -11.57100 15.40900  1.000 35.45837  ? 395 PRO A CB   1 
ATOM   1102 C  CG   . PRO A 1 76  ? -25.10900 -11.51500 14.92400  1.000 45.86454  ? 395 PRO A CG   1 
ATOM   1103 C  CD   . PRO A 1 76  ? -24.35700 -12.51700 15.74200  1.000 29.70727  ? 395 PRO A CD   1 
ATOM   1104 H  HA   . PRO A 1 76  ? -26.46800 -11.06400 17.45400  1.000 47.78966  ? 395 PRO A HA   1 
ATOM   1105 H  HB2  . PRO A 1 76  ? -27.02000 -12.26400 14.95400  1.000 42.59500  ? 395 PRO A HB2  1 
ATOM   1106 H  HB3  . PRO A 1 76  ? -26.97900 -10.73400 15.24900  1.000 42.59500  ? 395 PRO A HB3  1 
ATOM   1107 H  HG2  . PRO A 1 76  ? -25.05800 -11.72800 13.97900  1.000 55.08240  ? 395 PRO A HG2  1 
ATOM   1108 H  HG3  . PRO A 1 76  ? -24.73800 -10.62600 15.03500  1.000 55.08240  ? 395 PRO A HG3  1 
ATOM   1109 H  HD2  . PRO A 1 76  ? -24.36200 -13.39400 15.32800  1.000 35.69368  ? 395 PRO A HD2  1 
ATOM   1110 H  HD3  . PRO A 1 76  ? -23.42800 -12.26200 15.85600  1.000 35.69368  ? 395 PRO A HD3  1 
ATOM   1111 N  N    . THR A 1 77  ? -28.36200 -12.23700 18.26500  1.000 26.47546  ? 396 THR A N    1 
ATOM   1112 C  CA   . THR A 1 77  ? -29.52500 -12.95400 18.76700  1.000 37.35069  ? 396 THR A CA   1 
ATOM   1113 C  C    . THR A 1 77  ? -30.83800 -12.42400 18.21000  1.000 37.26217  ? 396 THR A C    1 
ATOM   1114 O  O    . THR A 1 77  ? -31.89200 -13.00900 18.48600  1.000 40.81269  ? 396 THR A O    1 
ATOM   1115 C  CB   . THR A 1 77  ? -29.55900 -12.90000 20.30100  1.000 31.94265  ? 396 THR A CB   1 
ATOM   1116 O  OG1  . THR A 1 77  ? -29.56600 -11.53300 20.73000  1.000 36.66841  ? 396 THR A OG1  1 
ATOM   1117 C  CG2  . THR A 1 77  ? -28.33200 -13.59300 20.87700  1.000 35.58657  ? 396 THR A CG2  1 
ATOM   1118 H  H    . THR A 1 77  ? -28.27700 -11.44200 18.58200  1.000 31.81550  ? 396 THR A H    1 
ATOM   1119 H  HA   . THR A 1 77  ? -29.43500 -13.87100 18.46500  1.000 44.86577  ? 396 THR A HA   1 
ATOM   1120 H  HB   . THR A 1 77  ? -30.35900 -13.35100 20.61300  1.000 38.37613  ? 396 THR A HB   1 
ATOM   1121 H  HG1  . THR A 1 77  ? -29.33000 -11.03800 20.09400  1.000 44.04704  ? 396 THR A HG1  1 
ATOM   1122 H  HG21 . THR A 1 77  ? -28.36300 -13.55400 21.84600  1.000 42.74883  ? 396 THR A HG21 1 
ATOM   1123 H  HG22 . THR A 1 77  ? -28.32000 -14.52000 20.59200  1.000 42.74883  ? 396 THR A HG22 1 
ATOM   1124 H  HG23 . THR A 1 77  ? -27.53000 -13.14800 20.56100  1.000 42.74883  ? 396 THR A HG23 1 
ATOM   1125 N  N    . LYS A 1 78  ? -30.80200 -11.33600 17.44400  1.000 32.74673  ? 397 LYS A N    1 
ATOM   1126 C  CA   . LYS A 1 78  ? -31.97400 -10.81600 16.75500  1.000 50.75127  ? 397 LYS A CA   1 
ATOM   1127 C  C    . LYS A 1 78  ? -31.49200 -9.99400  15.56800  1.000 50.84151  ? 397 LYS A C    1 
ATOM   1128 O  O    . LYS A 1 78  ? -30.54100 -9.22000  15.69700  1.000 40.39795  ? 397 LYS A O    1 
ATOM   1129 C  CB   . LYS A 1 78  ? -32.84500 -9.96400  17.68700  1.000 39.07425  ? 397 LYS A CB   1 
ATOM   1130 C  CG   . LYS A 1 78  ? -34.11300 -9.42900  17.04100  1.000 60.23321  ? 397 LYS A CG   1 
ATOM   1131 C  CD   . LYS A 1 78  ? -34.94500 -8.63500  18.03600  1.000 91.23241  ? 397 LYS A CD   1 
ATOM   1132 C  CE   . LYS A 1 78  ? -36.20200 -8.07800  17.38700  1.000 91.12799  ? 397 LYS A CE   1 
ATOM   1133 N  NZ   . LYS A 1 78  ? -35.88500 -7.14000  16.27600  1.000 115.53023 ? 397 LYS A NZ   1 
ATOM   1134 H  H    . LYS A 1 78  ? -30.08800 -10.87600 17.31000  1.000 39.34102  ? 397 LYS A H    1 
ATOM   1135 H  HA   . LYS A 1 78  ? -32.52800 -11.55400 16.45400  1.000 60.94648  ? 397 LYS A HA   1 
ATOM   1136 H  HB2  . LYS A 1 78  ? -33.08800 -10.49600 18.46100  1.000 46.93405  ? 397 LYS A HB2  1 
ATOM   1137 H  HB3  . LYS A 1 78  ? -32.31900 -9.21600  18.01000  1.000 46.93405  ? 397 LYS A HB3  1 
ATOM   1138 H  HG2  . LYS A 1 78  ? -33.88100 -8.86500  16.28700  1.000 72.32480  ? 397 LYS A HG2  1 
ATOM   1139 H  HG3  . LYS A 1 78  ? -34.63800 -10.16700 16.69300  1.000 72.32480  ? 397 LYS A HG3  1 
ATOM   1140 H  HD2  . LYS A 1 78  ? -35.18900 -9.20400  18.78300  1.000 109.52384 ? 397 LYS A HD2  1 
ATOM   1141 H  HD3  . LYS A 1 78  ? -34.41500 -7.90700  18.39600  1.000 109.52384 ? 397 LYS A HD3  1 
ATOM   1142 H  HE2  . LYS A 1 78  ? -36.74200 -8.80900  17.04800  1.000 109.39854 ? 397 LYS A HE2  1 
ATOM   1143 H  HE3  . LYS A 1 78  ? -36.73400 -7.61900  18.05500  1.000 109.39854 ? 397 LYS A HE3  1 
ATOM   1144 H  HZ1  . LYS A 1 78  ? -36.32300 -6.37500  16.39900  1.000 138.68122 ? 397 LYS A HZ1  1 
ATOM   1145 H  HZ2  . LYS A 1 78  ? -35.00900 -6.98100  16.26200  1.000 138.68122 ? 397 LYS A HZ2  1 
ATOM   1146 H  HZ3  . LYS A 1 78  ? -36.13300 -7.50200  15.50200  1.000 138.68122 ? 397 LYS A HZ3  1 
ATOM   1147 N  N    . LEU A 1 79  ? -32.14200 -10.17700 14.41800  1.000 44.91071  ? 398 LEU A N    1 
ATOM   1148 C  CA   . LEU A 1 79  ? -31.76100 -9.51000  13.18100  1.000 32.59425  ? 398 LEU A CA   1 
ATOM   1149 C  C    . LEU A 1 79  ? -32.90400 -8.64600  12.66100  1.000 35.39422  ? 398 LEU A C    1 
ATOM   1150 O  O    . LEU A 1 79  ? -34.07700 -8.87800  12.96400  1.000 64.12636  ? 398 LEU A O    1 
ATOM   1151 C  CB   . LEU A 1 79  ? -31.34900 -10.52700 12.10800  1.000 37.09571  ? 398 LEU A CB   1 
ATOM   1152 C  CG   . LEU A 1 79  ? -30.20800 -11.46500 12.50700  1.000 43.43049  ? 398 LEU A CG   1 
ATOM   1153 C  CD1  . LEU A 1 79  ? -30.03700 -12.57400 11.48200  1.000 26.19717  ? 398 LEU A CD1  1 
ATOM   1154 C  CD2  . LEU A 1 79  ? -28.91600 -10.68500 12.68300  1.000 45.42722  ? 398 LEU A CD2  1 
ATOM   1155 H  H    . LEU A 1 79  ? -32.82200 -10.69700 14.33700  1.000 53.93780  ? 398 LEU A H    1 
ATOM   1156 H  HA   . LEU A 1 79  ? -30.99900 -8.94200  13.37700  1.000 39.15804  ? 398 LEU A HA   1 
ATOM   1157 H  HB2  . LEU A 1 79  ? -32.12300 -11.06300 11.87600  1.000 44.55980  ? 398 LEU A HB2  1 
ATOM   1158 H  HB3  . LEU A 1 79  ? -31.08800 -10.04400 11.30800  1.000 44.55980  ? 398 LEU A HB3  1 
ATOM   1159 H  HG   . LEU A 1 79  ? -30.43300 -11.87600 13.35600  1.000 52.16154  ? 398 LEU A HG   1 
ATOM   1160 H  HD11 . LEU A 1 79  ? -29.31000 -13.15600 11.75300  1.000 31.48155  ? 398 LEU A HD11 1 
ATOM   1161 H  HD12 . LEU A 1 79  ? -30.85700 -13.08800 11.42100  1.000 31.48155  ? 398 LEU A HD12 1 
ATOM   1162 H  HD13 . LEU A 1 79  ? -29.83400 -12.18600 10.61600  1.000 31.48155  ? 398 LEU A HD13 1 
ATOM   1163 H  HD21 . LEU A 1 79  ? -28.20300 -11.29200 12.93600  1.000 54.55762  ? 398 LEU A HD21 1 
ATOM   1164 H  HD22 . LEU A 1 79  ? -28.68600 -10.24600 11.84900  1.000 54.55762  ? 398 LEU A HD22 1 
ATOM   1165 H  HD23 . LEU A 1 79  ? -29.03300 -10.01800 13.37700  1.000 54.55762  ? 398 LEU A HD23 1 
ATOM   1166 N  N    . SER A 1 80  ? -32.53900 -7.63900  11.86500  1.000 40.97163  ? 399 SER A N    1 
ATOM   1167 C  CA   . SER A 1 80  ? -33.44700 -6.68200  11.25400  1.000 43.39233  ? 399 SER A CA   1 
ATOM   1168 C  C    . SER A 1 80  ? -33.28600 -6.70000  9.73800   1.000 37.33754  ? 399 SER A C    1 
ATOM   1169 O  O    . SER A 1 80  ? -32.20300 -7.00800  9.22900   1.000 36.19882  ? 399 SER A O    1 
ATOM   1170 C  CB   . SER A 1 80  ? -33.18900 -5.26300  11.77800  1.000 30.95238  ? 399 SER A CB   1 
ATOM   1171 O  OG   . SER A 1 80  ? -33.36700 -5.19700  13.18200  1.000 48.86534  ? 399 SER A OG   1 
ATOM   1172 H  H    . SER A 1 80  ? -31.71600 -7.49300  11.66100  1.000 49.21090  ? 399 SER A H    1 
ATOM   1173 H  HA   . SER A 1 80  ? -34.35300 -6.93900  11.48800  1.000 52.11575  ? 399 SER A HA   1 
ATOM   1174 H  HB2  . SER A 1 80  ? -32.28600 -4.99000  11.55000  1.000 37.18781  ? 399 SER A HB2  1 
ATOM   1175 H  HB3  . SER A 1 80  ? -33.79200 -4.64000  11.34300  1.000 37.18781  ? 399 SER A HB3  1 
ATOM   1176 H  HG   . SER A 1 80  ? -33.22000 -4.41400  13.44700  1.000 58.68336  ? 399 SER A HG   1 
ATOM   1177 N  N    . PRO A 1 81  ? -34.33500 -6.37200  8.99200   1.000 46.41715  ? 400 PRO A N    1 
ATOM   1178 C  CA   . PRO A 1 81  ? -34.24400 -6.36900  7.53200   1.000 40.34047  ? 400 PRO A CA   1 
ATOM   1179 C  C    . PRO A 1 81  ? -33.75800 -5.03000  6.98800   1.000 35.33028  ? 400 PRO A C    1 
ATOM   1180 O  O    . PRO A 1 81  ? -33.71800 -4.01400  7.68500   1.000 41.53159  ? 400 PRO A O    1 
ATOM   1181 C  CB   . PRO A 1 81  ? -35.69100 -6.63200  7.10400   1.000 39.96499  ? 400 PRO A CB   1 
ATOM   1182 C  CG   . PRO A 1 81  ? -36.49300 -5.96200  8.16700   1.000 34.55450  ? 400 PRO A CG   1 
ATOM   1183 C  CD   . PRO A 1 81  ? -35.71300 -6.13000  9.45600   1.000 44.40789  ? 400 PRO A CD   1 
ATOM   1184 H  HA   . PRO A 1 81  ? -33.60800 -7.02000  7.19700   1.000 48.45352  ? 400 PRO A HA   1 
ATOM   1185 H  HB2  . PRO A 1 81  ? -35.87800 -6.26100  6.22800   1.000 48.00293  ? 400 PRO A HB2  1 
ATOM   1186 H  HB3  . PRO A 1 81  ? -35.88300 -7.58200  7.05600   1.000 48.00293  ? 400 PRO A HB3  1 
ATOM   1187 H  HG2  . PRO A 1 81  ? -36.62400 -5.02300  7.96200   1.000 41.24066  ? 400 PRO A HG2  1 
ATOM   1188 H  HG3  . PRO A 1 81  ? -37.37400 -6.36200  8.24000   1.000 41.24066  ? 400 PRO A HG3  1 
ATOM   1189 H  HD2  . PRO A 1 81  ? -35.76900 -5.33800  10.01400  1.000 53.33442  ? 400 PRO A HD2  1 
ATOM   1190 H  HD3  . PRO A 1 81  ? -36.04800 -6.87200  9.98300   1.000 53.33442  ? 400 PRO A HD3  1 
ATOM   1191 N  N    . ILE A 1 82  ? -33.36700 -5.05800  5.71500   1.000 39.48132  ? 401 ILE A N    1 
ATOM   1192 C  CA   . ILE A 1 82  ? -33.10600 -3.86000  4.93200   1.000 33.02915  ? 401 ILE A CA   1 
ATOM   1193 C  C    . ILE A 1 82  ? -33.85600 -3.99300  3.61400   1.000 46.42128  ? 401 ILE A C    1 
ATOM   1194 O  O    . ILE A 1 82  ? -34.44100 -5.03200  3.30000   1.000 39.84174  ? 401 ILE A O    1 
ATOM   1195 C  CB   . ILE A 1 82  ? -31.60200 -3.61800  4.67300   1.000 58.86611  ? 401 ILE A CB   1 
ATOM   1196 C  CG1  . ILE A 1 82  ? -31.04000 -4.67900  3.72300   1.000 52.48621  ? 401 ILE A CG1  1 
ATOM   1197 C  CG2  . ILE A 1 82  ? -30.81400 -3.59000  5.97700   1.000 41.15405  ? 401 ILE A CG2  1 
ATOM   1198 C  CD1  . ILE A 1 82  ? -29.63500 -4.37500  3.23600   1.000 37.98291  ? 401 ILE A CD1  1 
ATOM   1199 H  H    . ILE A 1 82  ? -33.24500 -5.78800  5.27800   1.000 47.42253  ? 401 ILE A H    1 
ATOM   1200 H  HA   . ILE A 1 82  ? -33.41300 -3.09100  5.43700   1.000 39.67993  ? 401 ILE A HA   1 
ATOM   1201 H  HB   . ILE A 1 82  ? -31.50900 -2.74900  4.25200   1.000 70.68428  ? 401 ILE A HB   1 
ATOM   1202 H  HG12 . ILE A 1 82  ? -31.03900 -5.53800  4.17400   1.000 63.02840  ? 401 ILE A HG12 1 
ATOM   1203 H  HG13 . ILE A 1 82  ? -31.62900 -4.76100  2.95700   1.000 63.02840  ? 401 ILE A HG13 1 
ATOM   1204 H  HG21 . ILE A 1 82  ? -29.87600 -3.43700  5.78500   1.000 49.42981  ? 401 ILE A HG21 1 
ATOM   1205 H  HG22 . ILE A 1 82  ? -31.14900 -2.87600  6.54200   1.000 49.42981  ? 401 ILE A HG22 1 
ATOM   1206 H  HG23 . ILE A 1 82  ? -30.91600 -4.43900  6.43500   1.000 49.42981  ? 401 ILE A HG23 1 
ATOM   1207 H  HD11 . ILE A 1 82  ? -29.33900 -5.08200  2.64100   1.000 45.62444  ? 401 ILE A HD11 1 
ATOM   1208 H  HD12 . ILE A 1 82  ? -29.63300 -3.53000  2.76000   1.000 45.62444  ? 401 ILE A HD12 1 
ATOM   1209 H  HD13 . ILE A 1 82  ? -29.03400 -4.31900  3.99500   1.000 45.62444  ? 401 ILE A HD13 1 
ATOM   1210 N  N    . SER A 1 83  ? -33.83600 -2.92000  2.84000   1.000 37.95538  ? 402 SER A N    1 
ATOM   1211 C  CA   . SER A 1 83  ? -34.39100 -2.93000  1.49800   1.000 54.02919  ? 402 SER A CA   1 
ATOM   1212 C  C    . SER A 1 83  ? -33.25000 -2.93100  0.49900   1.000 43.22701  ? 402 SER A C    1 
ATOM   1213 O  O    . SER A 1 83  ? -32.24800 -2.22800  0.68600   1.000 46.58494  ? 402 SER A O    1 
ATOM   1214 C  CB   . SER A 1 83  ? -35.30800 -1.73000  1.26700   1.000 41.32594  ? 402 SER A CB   1 
ATOM   1215 O  OG   . SER A 1 83  ? -36.36400 -1.71100  2.21100   1.000 58.95155  ? 402 SER A OG   1 
ATOM   1216 H  H    . SER A 1 83  ? -33.50000 -2.16500  3.07800   1.000 45.59141  ? 402 SER A H    1 
ATOM   1217 H  HA   . SER A 1 83  ? -34.93000 -3.72800  1.38300   1.000 64.87997  ? 402 SER A HA   1 
ATOM   1218 H  HB2  . SER A 1 83  ? -34.79500 -0.90900  1.33300   1.000 49.63608  ? 402 SER A HB2  1 
ATOM   1219 H  HB3  . SER A 1 83  ? -35.67300 -1.76500  0.36900   1.000 49.63608  ? 402 SER A HB3  1 
ATOM   1220 H  HG   . SER A 1 83  ? -36.94800 -2.27200  1.98900   1.000 70.78680  ? 402 SER A HG   1 
ATOM   1221 N  N    . VAL A 1 84  ? -33.39300 -3.74500  -0.54300  1.000 46.58773  ? 403 VAL A N    1 
ATOM   1222 C  CA   . VAL A 1 84  ? -32.42400 -3.77400  -1.62500  1.000 56.08786  ? 403 VAL A CA   1 
ATOM   1223 C  C    . VAL A 1 84  ? -33.15800 -3.68500  -2.95300  1.000 53.68331  ? 403 VAL A C    1 
ATOM   1224 O  O    . VAL A 1 84  ? -34.29200 -4.15600  -3.10300  1.000 51.17399  ? 403 VAL A O    1 
ATOM   1225 C  CB   . VAL A 1 84  ? -31.52900 -5.03400  -1.57200  1.000 55.43841  ? 403 VAL A CB   1 
ATOM   1226 C  CG1  . VAL A 1 84  ? -30.68200 -5.02000  -0.29900  1.000 39.28246  ? 403 VAL A CG1  1 
ATOM   1227 C  CG2  . VAL A 1 84  ? -32.36800 -6.30400  -1.66100  1.000 50.25523  ? 403 VAL A CG2  1 
ATOM   1228 H  H    . VAL A 1 84  ? -34.05000 -4.29100  -0.64000  1.000 55.95023  ? 403 VAL A H    1 
ATOM   1229 H  HA   . VAL A 1 84  ? -31.83200 -3.01200  -1.52700  1.000 67.35038  ? 403 VAL A HA   1 
ATOM   1230 H  HB   . VAL A 1 84  ? -30.93400 -5.02500  -2.33800  1.000 66.57104  ? 403 VAL A HB   1 
ATOM   1231 H  HG11 . VAL A 1 84  ? -30.12400 -5.81300  -0.27300  1.000 47.18391  ? 403 VAL A HG11 1 
ATOM   1232 H  HG12 . VAL A 1 84  ? -30.12000 -4.22900  -0.29200  1.000 47.18391  ? 403 VAL A HG12 1 
ATOM   1233 H  HG13 . VAL A 1 84  ? -31.26400 -5.00900  0.47700   1.000 47.18391  ? 403 VAL A HG13 1 
ATOM   1234 H  HG21 . VAL A 1 84  ? -31.78600 -7.07900  -1.62600  1.000 60.35122  ? 403 VAL A HG21 1 
ATOM   1235 H  HG22 . VAL A 1 84  ? -32.99100 -6.33300  -0.91800  1.000 60.35122  ? 403 VAL A HG22 1 
ATOM   1236 H  HG23 . VAL A 1 84  ? -32.86200 -6.30800  -2.49600  1.000 60.35122  ? 403 VAL A HG23 1 
ATOM   1237 N  N    . LEU A 1 85  ? -32.47600 -3.06000  -3.92600  1.000 52.45353  ? 404 LEU A N    1 
ATOM   1238 C  CA   . LEU A 1 85  ? -32.93500 -3.00900  -5.30500  1.000 58.05435  ? 404 LEU A CA   1 
ATOM   1239 C  C    . LEU A 1 85  ? -32.11200 -4.00400  -6.11700  1.000 66.49831  ? 404 LEU A C    1 
ATOM   1240 O  O    . LEU A 1 85  ? -30.89000 -3.84900  -6.24400  1.000 53.49195  ? 404 LEU A O    1 
ATOM   1241 C  CB   . LEU A 1 85  ? -32.79600 -1.59700  -5.86800  1.000 46.80192  ? 404 LEU A CB   1 
ATOM   1242 C  CG   . LEU A 1 85  ? -33.38500 -1.42200  -7.26400  1.000 49.53113  ? 404 LEU A CG   1 
ATOM   1243 C  CD1  . LEU A 1 85  ? -34.86200 -1.76200  -7.23000  1.000 71.11881  ? 404 LEU A CD1  1 
ATOM   1244 C  CD2  . LEU A 1 85  ? -33.15100 -0.01200  -7.78100  1.000 53.21774  ? 404 LEU A CD2  1 
ATOM   1245 H  H    . LEU A 1 85  ? -31.73000 -2.65400  -3.79300  1.000 62.98919  ? 404 LEU A H    1 
ATOM   1246 H  HA   . LEU A 1 85  ? -33.87500 -3.24500  -5.35200  1.000 69.71017  ? 404 LEU A HA   1 
ATOM   1247 H  HB2  . LEU A 1 85  ? -33.23000 -0.97400  -5.26400  1.000 56.20725  ? 404 LEU A HB2  1 
ATOM   1248 H  HB3  . LEU A 1 85  ? -31.85600 -1.36000  -5.89200  1.000 56.20725  ? 404 LEU A HB3  1 
ATOM   1249 H  HG   . LEU A 1 85  ? -32.93900 -2.02700  -7.87800  1.000 59.21261  ? 404 LEU A HG   1 
ATOM   1250 H  HD11 . LEU A 1 85  ? -35.24000 -1.65200  -8.11600  1.000 85.38752  ? 404 LEU A HD11 1 
ATOM   1251 H  HD12 . LEU A 1 85  ? -34.97600 -2.68100  -6.94200  1.000 85.38752  ? 404 LEU A HD12 1 
ATOM   1252 H  HD13 . LEU A 1 85  ? -35.31600 -1.17100  -6.60900  1.000 85.38752  ? 404 LEU A HD13 1 
ATOM   1253 H  HD21 . LEU A 1 85  ? -33.53300 0.07500   -8.66800  1.000 63.90624  ? 404 LEU A HD21 1 
ATOM   1254 H  HD22 . LEU A 1 85  ? -33.57200 0.62600   -7.18400  1.000 63.90624  ? 404 LEU A HD22 1 
ATOM   1255 H  HD23 . LEU A 1 85  ? -32.19800 0.16400   -7.82100  1.000 63.90624  ? 404 LEU A HD23 1 
ATOM   1256 N  N    . TYR A 1 86  ? -32.79900 -5.01400  -6.64100  1.000 68.30551  ? 405 TYR A N    1 
ATOM   1257 C  CA   . TYR A 1 86  ? -32.13000 -6.09100  -7.35100  1.000 60.89912  ? 405 TYR A CA   1 
ATOM   1258 C  C    . TYR A 1 86  ? -32.73300 -6.27800  -8.73600  1.000 88.74778  ? 405 TYR A C    1 
ATOM   1259 O  O    . TYR A 1 86  ? -33.92200 -6.02600  -8.95800  1.000 78.22205  ? 405 TYR A O    1 
ATOM   1260 C  CB   . TYR A 1 86  ? -32.22400 -7.40100  -6.57800  1.000 76.30659  ? 405 TYR A CB   1 
ATOM   1261 C  CG   . TYR A 1 86  ? -33.59700 -8.01900  -6.58300  1.000 61.20567  ? 405 TYR A CG   1 
ATOM   1262 C  CD1  . TYR A 1 86  ? -34.57400 -7.59100  -5.69900  1.000 59.68682  ? 405 TYR A CD1  1 
ATOM   1263 C  CD2  . TYR A 1 86  ? -33.91300 -9.04500  -7.46100  1.000 63.47835  ? 405 TYR A CD2  1 
ATOM   1264 C  CE1  . TYR A 1 86  ? -35.83400 -8.16000  -5.69400  1.000 95.00578  ? 405 TYR A CE1  1 
ATOM   1265 C  CE2  . TYR A 1 86  ? -35.16800 -9.62300  -7.46300  1.000 87.27379  ? 405 TYR A CE2  1 
ATOM   1266 C  CZ   . TYR A 1 86  ? -36.12600 -9.17800  -6.57700  1.000 89.62941  ? 405 TYR A CZ   1 
ATOM   1267 O  OH   . TYR A 1 86  ? -37.38000 -9.74800  -6.57000  1.000 112.05112 ? 405 TYR A OH   1 
ATOM   1268 H  H    . TYR A 1 86  ? -33.65400 -5.09200  -6.59500  1.000 82.01156  ? 405 TYR A H    1 
ATOM   1269 H  HA   . TYR A 1 86  ? -31.19600 -5.84500  -7.43800  1.000 73.12389  ? 405 TYR A HA   1 
ATOM   1270 H  HB2  . TYR A 1 86  ? -31.59300 -8.03400  -6.95500  1.000 91.61285  ? 405 TYR A HB2  1 
ATOM   1271 H  HB3  . TYR A 1 86  ? -31.95400 -7.24400  -5.66000  1.000 91.61285  ? 405 TYR A HB3  1 
ATOM   1272 H  HD1  . TYR A 1 86  ? -34.37900 -6.90900  -5.09800  1.000 71.66914  ? 405 TYR A HD1  1 
ATOM   1273 H  HD2  . TYR A 1 86  ? -33.26900 -9.34900  -8.05900  1.000 76.21897  ? 405 TYR A HD2  1 
ATOM   1274 H  HE1  . TYR A 1 86  ? -36.48100 -7.85800  -5.09800  1.000 114.05189 ? 405 TYR A HE1  1 
ATOM   1275 H  HE2  . TYR A 1 86  ? -35.36600 -10.30900 -8.05900  1.000 104.77349 ? 405 TYR A HE2  1 
ATOM   1276 H  HH   . TYR A 1 86  ? -37.95900 -9.15000  -6.46100  1.000 134.50629 ? 405 TYR A HH   1 
ATOM   1277 N  N    . LYS A 1 87  ? -31.90200 -6.74800  -9.66400  1.000 93.01705  ? 406 LYS A N    1 
ATOM   1278 C  CA   . LYS A 1 87  ? -32.36100 -6.99300  -11.02300 1.000 113.37017 ? 406 LYS A CA   1 
ATOM   1279 C  C    . LYS A 1 87  ? -33.20900 -8.25700  -11.06600 1.000 94.24736  ? 406 LYS A C    1 
ATOM   1280 O  O    . LYS A 1 87  ? -32.82100 -9.29800  -10.52600 1.000 87.12721  ? 406 LYS A O    1 
ATOM   1281 C  CB   . LYS A 1 87  ? -31.17000 -7.12100  -11.97100 1.000 115.31374 ? 406 LYS A CB   1 
ATOM   1282 C  CG   . LYS A 1 87  ? -30.36000 -5.84600  -12.11500 1.000 132.36645 ? 406 LYS A CG   1 
ATOM   1283 C  CD   . LYS A 1 87  ? -29.19400 -6.03000  -13.06400 1.000 144.45941 ? 406 LYS A CD   1 
ATOM   1284 C  CE   . LYS A 1 87  ? -28.36500 -4.76100  -13.15900 1.000 147.73020 ? 406 LYS A CE   1 
ATOM   1285 N  NZ   . LYS A 1 87  ? -29.15000 -3.62900  -13.72300 1.000 104.69151 ? 406 LYS A NZ   1 
ATOM   1286 H  H    . LYS A 1 87  ? -31.07300 -6.93000  -9.52500  1.000 111.66541 ? 406 LYS A H    1 
ATOM   1287 H  HA   . LYS A 1 87  ? -32.90300 -6.24200  -11.31000 1.000 136.08915 ? 406 LYS A HA   1 
ATOM   1288 H  HB2  . LYS A 1 87  ? -30.58900 -7.82900  -11.65200 1.000 138.42144 ? 406 LYS A HB2  1 
ATOM   1289 H  HB3  . LYS A 1 87  ? -31.49100 -7.39000  -12.84600 1.000 138.42144 ? 406 LYS A HB3  1 
ATOM   1290 H  HG2  . LYS A 1 87  ? -30.93200 -5.13300  -12.43900 1.000 158.88469 ? 406 LYS A HG2  1 
ATOM   1291 H  HG3  . LYS A 1 87  ? -30.03000 -5.57200  -11.24500 1.000 158.88469 ? 406 LYS A HG3  1 
ATOM   1292 H  HD2  . LYS A 1 87  ? -28.63600 -6.76300  -12.75900 1.000 173.39624 ? 406 LYS A HD2  1 
ATOM   1293 H  HD3  . LYS A 1 87  ? -29.52300 -6.27200  -13.94400 1.000 173.39624 ? 406 LYS A HD3  1 
ATOM   1294 H  HE2  . LYS A 1 87  ? -28.03900 -4.52100  -12.27800 1.000 177.32119 ? 406 LYS A HE2  1 
ATOM   1295 H  HE3  . LYS A 1 87  ? -27.58700 -4.92400  -13.71500 1.000 177.32119 ? 406 LYS A HE3  1 
ATOM   1296 H  HZ1  . LYS A 1 87  ? -28.60700 -2.94300  -13.88700 1.000 125.67476 ? 406 LYS A HZ1  1 
ATOM   1297 H  HZ2  . LYS A 1 87  ? -29.54000 -3.88600  -14.48100 1.000 125.67476 ? 406 LYS A HZ2  1 
ATOM   1298 H  HZ3  . LYS A 1 87  ? -29.77400 -3.38000  -13.13900 1.000 125.67476 ? 406 LYS A HZ3  1 
ATOM   1299 N  N    . ASP A 1 88  ? -34.37100 -8.16400  -11.70600 1.000 99.54606  ? 407 ASP A N    1 
ATOM   1300 C  CA   . ASP A 1 88  ? -35.25200 -9.31000  -11.84300 1.000 130.52612 ? 407 ASP A CA   1 
ATOM   1301 C  C    . ASP A 1 88  ? -34.64800 -10.33100 -12.80900 1.000 136.86279 ? 407 ASP A C    1 
ATOM   1302 O  O    . ASP A 1 88  ? -33.61100 -10.09700 -13.43700 1.000 149.08392 ? 407 ASP A O    1 
ATOM   1303 C  CB   . ASP A 1 88  ? -36.63100 -8.85900  -12.32800 1.000 117.63729 ? 407 ASP A CB   1 
ATOM   1304 C  CG   . ASP A 1 88  ? -37.74100 -9.80300  -11.91100 1.000 134.10181 ? 407 ASP A CG   1 
ATOM   1305 O  OD1  . ASP A 1 88  ? -37.44100 -10.81500 -11.24600 1.000 147.50182 ? 407 ASP A OD1  1 
ATOM   1306 O  OD2  . ASP A 1 88  ? -38.91400 -9.53200  -12.24900 1.000 116.10409 ? 407 ASP A OD2  1 
ATOM   1307 H  H    . ASP A 1 88  ? -34.66500 -7.44200  -12.06800 1.000 119.50021 ? 407 ASP A H    1 
ATOM   1308 H  HA   . ASP A 1 88  ? -35.35400 -9.73300  -10.97600 1.000 156.67629 ? 407 ASP A HA   1 
ATOM   1309 H  HB2  . ASP A 1 88  ? -36.81800 -7.97300  -11.97900 1.000 141.20970 ? 407 ASP A HB2  1 
ATOM   1310 H  HB3  . ASP A 1 88  ? -36.62100 -8.78600  -13.29500 1.000 141.20970 ? 407 ASP A HB3  1 
ATOM   1311 N  N    . ASP A 1 89  ? -35.31400 -11.48600 -12.92400 1.000 141.71466 ? 408 ASP A N    1 
ATOM   1312 C  CA   . ASP A 1 89  ? -34.83900 -12.52700 -13.83300 1.000 145.55803 ? 408 ASP A CA   1 
ATOM   1313 C  C    . ASP A 1 89  ? -34.77200 -12.04600 -15.27600 1.000 128.20571 ? 408 ASP A C    1 
ATOM   1314 O  O    . ASP A 1 89  ? -34.06300 -12.64900 -16.08900 1.000 139.02162 ? 408 ASP A O    1 
ATOM   1315 C  CB   . ASP A 1 89  ? -35.72700 -13.77000 -13.73900 1.000 130.78073 ? 408 ASP A CB   1 
ATOM   1316 C  CG   . ASP A 1 89  ? -35.33100 -14.68600 -12.59500 1.000 147.15165 ? 408 ASP A CG   1 
ATOM   1317 O  OD1  . ASP A 1 89  ? -34.43100 -14.31100 -11.81400 1.000 127.10119 ? 408 ASP A OD1  1 
ATOM   1318 O  OD2  . ASP A 1 89  ? -35.91300 -15.78500 -12.48100 1.000 130.70868 ? 408 ASP A OD2  1 
ATOM   1319 H  H    . ASP A 1 89  ? -36.03100 -11.68100 -12.49100 1.000 170.10254 ? 408 ASP A H    1 
ATOM   1320 H  HA   . ASP A 1 89  ? -33.93700 -12.75300 -13.55600 1.000 174.71459 ? 408 ASP A HA   1 
ATOM   1321 H  HB2  . ASP A 1 89  ? -36.65000 -13.49600 -13.62400 1.000 156.98183 ? 408 ASP A HB2  1 
ATOM   1322 H  HB3  . ASP A 1 89  ? -35.67900 -14.26200 -14.57400 1.000 156.98183 ? 408 ASP A HB3  1 
ATOM   1323 N  N    . MET A 1 90  ? -35.49100 -10.97500 -15.61200 1.000 121.59858 ? 409 MET A N    1 
ATOM   1324 C  CA   . MET A 1 90  ? -35.41500 -10.34900 -16.92400 1.000 133.48296 ? 409 MET A CA   1 
ATOM   1325 C  C    . MET A 1 90  ? -34.75000 -8.97600  -16.85300 1.000 156.96804 ? 409 MET A C    1 
ATOM   1326 O  O    . MET A 1 90  ? -35.04000 -8.09300  -17.66400 1.000 140.57879 ? 409 MET A O    1 
ATOM   1327 C  CB   . MET A 1 90  ? -36.80600 -10.25800 -17.54800 1.000 152.45903 ? 409 MET A CB   1 
ATOM   1328 C  CG   . MET A 1 90  ? -37.47900 -11.61900 -17.68600 1.000 168.14534 ? 409 MET A CG   1 
ATOM   1329 S  SD   . MET A 1 90  ? -39.05100 -11.60900 -18.56600 1.000 183.06208 ? 409 MET A SD   1 
ATOM   1330 C  CE   . MET A 1 90  ? -39.37600 -13.36800 -18.67600 1.000 152.03766 ? 409 MET A CE   1 
ATOM   1331 H  H    . MET A 1 90  ? -36.04200 -10.59000 -15.07600 1.000 145.96325 ? 409 MET A H    1 
ATOM   1332 H  HA   . MET A 1 90  ? -34.85900 -10.90600 -17.49200 1.000 160.22450 ? 409 MET A HA   1 
ATOM   1333 H  HB2  . MET A 1 90  ? -37.36300 -9.68000  -17.00400 1.000 182.99579 ? 409 MET A HB2  1 
ATOM   1334 H  HB3  . MET A 1 90  ? -36.73800 -9.84500  -18.42300 1.000 182.99579 ? 409 MET A HB3  1 
ATOM   1335 H  HG2  . MET A 1 90  ? -36.87100 -12.22000 -18.14500 1.000 201.81936 ? 409 MET A HG2  1 
ATOM   1336 H  HG3  . MET A 1 90  ? -37.62300 -11.98400 -16.79900 1.000 201.81936 ? 409 MET A HG3  1 
ATOM   1337 H  HE1  . MET A 1 90  ? -40.21500 -13.51400 -19.14000 1.000 182.49014 ? 409 MET A HE1  1 
ATOM   1338 H  HE2  . MET A 1 90  ? -38.65800 -13.80000 -19.16500 1.000 182.49014 ? 409 MET A HE2  1 
ATOM   1339 H  HE3  . MET A 1 90  ? -39.43100 -13.74400 -17.78300 1.000 182.49014 ? 409 MET A HE3  1 
ATOM   1340 N  N    . GLY A 1 91  ? -33.85500 -8.79000  -15.88200 1.000 151.58044 ? 410 GLY A N    1 
ATOM   1341 C  CA   . GLY A 1 91  ? -33.07100 -7.58000  -15.75700 1.000 145.04651 ? 410 GLY A CA   1 
ATOM   1342 C  C    . GLY A 1 91  ? -33.79100 -6.39400  -15.15700 1.000 133.35395 ? 410 GLY A C    1 
ATOM   1343 O  O    . GLY A 1 91  ? -33.18900 -5.31800  -15.04900 1.000 137.91790 ? 410 GLY A O    1 
ATOM   1344 H  H    . GLY A 1 91  ? -33.69000 -9.37500  -15.27400 1.000 181.94147 ? 410 GLY A H    1 
ATOM   1345 H  HA2  . GLY A 1 91  ? -32.29100 -7.77400  -15.21300 1.000 174.10076 ? 410 GLY A HA2  1 
ATOM   1346 H  HA3  . GLY A 1 91  ? -32.74800 -7.33100  -16.63700 1.000 174.10076 ? 410 GLY A HA3  1 
ATOM   1347 N  N    . VAL A 1 92  ? -35.04900 -6.55100  -14.76300 1.000 117.65686 ? 411 VAL A N    1 
ATOM   1348 C  CA   . VAL A 1 92  ? -35.85000 -5.45800  -14.22900 1.000 104.22303 ? 411 VAL A CA   1 
ATOM   1349 C  C    . VAL A 1 92  ? -35.47300 -5.12600  -12.79600 1.000 100.87180 ? 411 VAL A C    1 
ATOM   1350 O  O    . VAL A 1 92  ? -35.63500 -5.97700  -11.91000 1.000 88.47332  ? 411 VAL A O    1 
ATOM   1351 C  CB   . VAL A 1 92  ? -37.34900 -5.78900  -14.30100 1.000 87.05053  ? 411 VAL A CB   1 
ATOM   1352 C  CG1  . VAL A 1 92  ? -38.16200 -4.75400  -13.54000 1.000 90.99752  ? 411 VAL A CG1  1 
ATOM   1353 C  CG2  . VAL A 1 92  ? -37.80200 -5.88400  -15.74700 1.000 107.85754 ? 411 VAL A CG2  1 
ATOM   1354 H  H    . VAL A 1 92  ? -35.46500 -7.30300  -14.79900 1.000 141.23318 ? 411 VAL A H    1 
ATOM   1355 H  HA   . VAL A 1 92  ? -35.66600 -4.68100  -14.78000 1.000 125.11258 ? 411 VAL A HA   1 
ATOM   1356 H  HB   . VAL A 1 92  ? -37.49600 -6.65100  -13.88200 1.000 104.50558 ? 411 VAL A HB   1 
ATOM   1357 H  HG11 . VAL A 1 92  ? -39.10400 -4.97800  -13.59600 1.000 109.24198 ? 411 VAL A HG11 1 
ATOM   1358 H  HG12 . VAL A 1 92  ? -37.88600 -4.74600  -12.61000 1.000 109.24198 ? 411 VAL A HG12 1 
ATOM   1359 H  HG13 . VAL A 1 92  ? -38.01500 -3.87700  -13.92800 1.000 109.24198 ? 411 VAL A HG13 1 
ATOM   1360 H  HG21 . VAL A 1 92  ? -38.74900 -6.09300  -15.77700 1.000 129.47399 ? 411 VAL A HG21 1 
ATOM   1361 H  HG22 . VAL A 1 92  ? -37.64400 -5.03700  -16.19200 1.000 129.47399 ? 411 VAL A HG22 1 
ATOM   1362 H  HG23 . VAL A 1 92  ? -37.30300 -6.58300  -16.19700 1.000 129.47399 ? 411 VAL A HG23 1 
ATOM   1363 N  N    . PRO A 1 93  ? -34.95900 -3.93700  -12.50400 1.000 121.38122 ? 412 PRO A N    1 
ATOM   1364 C  CA   . PRO A 1 93  ? -34.68500 -3.57300  -11.10600 1.000 99.97322  ? 412 PRO A CA   1 
ATOM   1365 C  C    . PRO A 1 93  ? -35.95800 -3.66700  -10.28600 1.000 86.95874  ? 412 PRO A C    1 
ATOM   1366 O  O    . PRO A 1 93  ? -36.97900 -3.05700  -10.60800 1.000 63.85090  ? 412 PRO A O    1 
ATOM   1367 C  CB   . PRO A 1 93  ? -34.18000 -2.12300  -11.21300 1.000 108.29574 ? 412 PRO A CB   1 
ATOM   1368 C  CG   . PRO A 1 93  ? -33.66700 -2.00100  -12.61400 1.000 128.71061 ? 412 PRO A CG   1 
ATOM   1369 C  CD   . PRO A 1 93  ? -34.56900 -2.86300  -13.44800 1.000 98.93649  ? 412 PRO A CD   1 
ATOM   1370 H  HA   . PRO A 1 93  ? -34.04500 -4.15400  -10.66600 1.000 120.01281 ? 412 PRO A HA   1 
ATOM   1371 H  HB2  . PRO A 1 93  ? -34.89300 -1.48800  -11.04200 1.000 129.99984 ? 412 PRO A HB2  1 
ATOM   1372 H  HB3  . PRO A 1 93  ? -33.48100 -1.94500  -10.56500 1.000 129.99984 ? 412 PRO A HB3  1 
ATOM   1373 H  HG2  . PRO A 1 93  ? -33.68900 -1.07900  -12.91500 1.000 154.49768 ? 412 PRO A HG2  1 
ATOM   1374 H  HG3  . PRO A 1 93  ? -32.74600 -2.29800  -12.67600 1.000 154.49768 ? 412 PRO A HG3  1 
ATOM   1375 H  HD2  . PRO A 1 93  ? -35.34000 -2.37100  -13.77200 1.000 118.76873 ? 412 PRO A HD2  1 
ATOM   1376 H  HD3  . PRO A 1 93  ? -34.11100 -3.21600  -14.22600 1.000 118.76873 ? 412 PRO A HD3  1 
ATOM   1377 N  N    . THR A 1 94  ? -35.89400 -4.46200  -9.22400  1.000 67.09769  ? 413 THR A N    1 
ATOM   1378 C  CA   . THR A 1 94  ? -37.05300 -4.75500  -8.39700  1.000 68.93253  ? 413 THR A CA   1 
ATOM   1379 C  C    . THR A 1 94  ? -36.70600 -4.49500  -6.93900  1.000 81.98204  ? 413 THR A C    1 
ATOM   1380 O  O    . THR A 1 94  ? -35.60400 -4.81900  -6.49000  1.000 49.52368  ? 413 THR A O    1 
ATOM   1381 C  CB   . THR A 1 94  ? -37.50800 -6.20800  -8.59200  1.000 57.32468  ? 413 THR A CB   1 
ATOM   1382 O  OG1  . THR A 1 94  ? -37.90300 -6.40300  -9.95700  1.000 112.02341 ? 413 THR A OG1  1 
ATOM   1383 C  CG2  . THR A 1 94  ? -38.67800 -6.54100  -7.67800  1.000 78.04426  ? 413 THR A CG2  1 
ATOM   1384 H  H    . THR A 1 94  ? -35.17100 -4.84800  -8.96300  1.000 80.56218  ? 413 THR A H    1 
ATOM   1385 H  HA   . THR A 1 94  ? -37.78600 -4.17800  -8.66100  1.000 82.76398  ? 413 THR A HA   1 
ATOM   1386 H  HB   . THR A 1 94  ? -36.76700 -6.79400  -8.37000  1.000 68.56487  ? 413 THR A HB   1 
ATOM   1387 H  HG1  . THR A 1 94  ? -37.22800 -6.35400  -10.45400 1.000 134.47305 ? 413 THR A HG1  1 
ATOM   1388 H  HG21 . THR A 1 94  ? -38.94700 -7.46200  -7.81900  1.000 93.69807  ? 413 THR A HG21 1 
ATOM   1389 H  HG22 . THR A 1 94  ? -38.41100 -6.42100  -6.75300  1.000 93.69807  ? 413 THR A HG22 1 
ATOM   1390 H  HG23 . THR A 1 94  ? -39.42300 -5.95300  -7.87800  1.000 93.69807  ? 413 THR A HG23 1 
ATOM   1391 N  N    . LEU A 1 95  ? -37.63600 -3.88800  -6.20800  1.000 64.31194  ? 414 LEU A N    1 
ATOM   1392 C  CA   . LEU A 1 95  ? -37.41500 -3.62800  -4.79500  1.000 57.04256  ? 414 LEU A CA   1 
ATOM   1393 C  C    . LEU A 1 95  ? -37.74700 -4.86300  -3.97400  1.000 51.88155  ? 414 LEU A C    1 
ATOM   1394 O  O    . LEU A 1 95  ? -38.82800 -5.44300  -4.11500  1.000 57.41362  ? 414 LEU A O    1 
ATOM   1395 C  CB   . LEU A 1 95  ? -38.26000 -2.45100  -4.31400  1.000 54.77984  ? 414 LEU A CB   1 
ATOM   1396 C  CG   . LEU A 1 95  ? -37.93800 -2.07400  -2.86700  1.000 82.79269  ? 414 LEU A CG   1 
ATOM   1397 C  CD1  . LEU A 1 95  ? -36.55000 -1.45300  -2.79400  1.000 58.55490  ? 414 LEU A CD1  1 
ATOM   1398 C  CD2  . LEU A 1 95  ? -38.98800 -1.14300  -2.27500  1.000 53.68948  ? 414 LEU A CD2  1 
ATOM   1399 H  H    . LEU A 1 95  ? -38.39600 -3.62100  -6.51100  1.000 77.21927  ? 414 LEU A H    1 
ATOM   1400 H  HA   . LEU A 1 95  ? -36.47900 -3.40400  -4.67700  1.000 68.49602  ? 414 LEU A HA   1 
ATOM   1401 H  HB2  . LEU A 1 95  ? -38.10600 -1.68600  -4.89000  1.000 65.78076  ? 414 LEU A HB2  1 
ATOM   1402 H  HB3  . LEU A 1 95  ? -39.20100 -2.67700  -4.38800  1.000 65.78076  ? 414 LEU A HB3  1 
ATOM   1403 H  HG   . LEU A 1 95  ? -37.95000 -2.88400  -2.33300  1.000 99.39618  ? 414 LEU A HG   1 
ATOM   1404 H  HD11 . LEU A 1 95  ? -36.35000 -1.21500  -1.87500  1.000 70.31083  ? 414 LEU A HD11 1 
ATOM   1405 H  HD12 . LEU A 1 95  ? -35.89300 -2.09100  -3.11300  1.000 70.31083  ? 414 LEU A HD12 1 
ATOM   1406 H  HD13 . LEU A 1 95  ? -36.52200 -0.65700  -3.34700  1.000 70.31083  ? 414 LEU A HD13 1 
ATOM   1407 H  HD21 . LEU A 1 95  ? -38.75000 -0.92700  -1.36000  1.000 64.47232  ? 414 LEU A HD21 1 
ATOM   1408 H  HD22 . LEU A 1 95  ? -39.03000 -0.32800  -2.79900  1.000 64.47232  ? 414 LEU A HD22 1 
ATOM   1409 H  HD23 . LEU A 1 95  ? -39.85400 -1.58100  -2.28900  1.000 64.47232  ? 414 LEU A HD23 1 
ATOM   1410 N  N    . LYS A 1 96  ? -36.81200 -5.27000  -3.12400  1.000 44.98243  ? 415 LYS A N    1 
ATOM   1411 C  CA   . LYS A 1 96  ? -37.08100 -6.22200  -2.05000  1.000 61.56204  ? 415 LYS A CA   1 
ATOM   1412 C  C    . LYS A 1 96  ? -37.23400 -5.39000  -0.78000  1.000 42.28426  ? 415 LYS A C    1 
ATOM   1413 O  O    . LYS A 1 96  ? -36.24500 -4.93100  -0.20600  1.000 47.48773  ? 415 LYS A O    1 
ATOM   1414 C  CB   . LYS A 1 96  ? -35.96000 -7.25100  -1.93500  1.000 50.21206  ? 415 LYS A CB   1 
ATOM   1415 C  CG   . LYS A 1 96  ? -36.08300 -8.18600  -0.74400  1.000 53.21712  ? 415 LYS A CG   1 
ATOM   1416 C  CD   . LYS A 1 96  ? -37.30300 -9.09000  -0.85300  1.000 58.75572  ? 415 LYS A CD   1 
ATOM   1417 C  CE   . LYS A 1 96  ? -37.44000 -10.02700 0.32900   1.000 49.33435  ? 415 LYS A CE   1 
ATOM   1418 N  NZ   . LYS A 1 96  ? -38.78000 -10.65800 0.42600   1.000 72.51011  ? 415 LYS A NZ   1 
ATOM   1419 H  H    . LYS A 1 96  ? -35.99600 -5.00000  -3.15300  1.000 53.75417  ? 415 LYS A H    1 
ATOM   1420 H  HA   . LYS A 1 96  ? -37.88600 -6.73600  -2.21900  1.000 73.91940  ? 415 LYS A HA   1 
ATOM   1421 H  HB2  . LYS A 1 96  ? -35.93800 -7.78100  -2.74700  1.000 60.29942  ? 415 LYS A HB2  1 
ATOM   1422 H  HB3  . LYS A 1 96  ? -35.11200 -6.78400  -1.87900  1.000 60.29942  ? 415 LYS A HB3  1 
ATOM   1423 H  HG2  . LYS A 1 96  ? -35.28300 -8.73000  -0.67700  1.000 63.90549  ? 415 LYS A HG2  1 
ATOM   1424 H  HG3  . LYS A 1 96  ? -36.14000 -7.66400  0.07200   1.000 63.90549  ? 415 LYS A HG3  1 
ATOM   1425 H  HD2  . LYS A 1 96  ? -38.10100 -8.54300  -0.92300  1.000 70.55181  ? 415 LYS A HD2  1 
ATOM   1426 H  HD3  . LYS A 1 96  ? -37.24400 -9.61100  -1.66900  1.000 70.55181  ? 415 LYS A HD3  1 
ATOM   1427 H  HE2  . LYS A 1 96  ? -36.76600 -10.72200 0.26300   1.000 59.24617  ? 415 LYS A HE2  1 
ATOM   1428 H  HE3  . LYS A 1 96  ? -37.26100 -9.53500  1.14600   1.000 59.24617  ? 415 LYS A HE3  1 
ATOM   1429 H  HZ1  . LYS A 1 96  ? -38.92200 -10.92700 1.26300   1.000 87.05708  ? 415 LYS A HZ1  1 
ATOM   1430 H  HZ2  . LYS A 1 96  ? -39.40400 -10.06700 0.19500   1.000 87.05708  ? 415 LYS A HZ2  1 
ATOM   1431 H  HZ3  . LYS A 1 96  ? -38.81900 -11.35900 -0.12100  1.000 87.05708  ? 415 LYS A HZ3  1 
ATOM   1432 N  N    . TYR A 1 97  ? -38.47800 -5.17200  -0.35400  1.000 54.23746  ? 416 TYR A N    1 
ATOM   1433 C  CA   . TYR A 1 97  ? -38.71700 -4.19400  0.70300   1.000 46.90633  ? 416 TYR A CA   1 
ATOM   1434 C  C    . TYR A 1 97  ? -38.11800 -4.64400  2.03000   1.000 42.72922  ? 416 TYR A C    1 
ATOM   1435 O  O    . TYR A 1 97  ? -37.47600 -3.84900  2.72600   1.000 42.51082  ? 416 TYR A O    1 
ATOM   1436 C  CB   . TYR A 1 97  ? -40.21500 -3.92500  0.85000   1.000 56.76924  ? 416 TYR A CB   1 
ATOM   1437 C  CG   . TYR A 1 97  ? -40.52000 -2.73700  1.73400   1.000 66.24500  ? 416 TYR A CG   1 
ATOM   1438 C  CD1  . TYR A 1 97  ? -39.94800 -1.49800  1.47900   1.000 57.83117  ? 416 TYR A CD1  1 
ATOM   1439 C  CD2  . TYR A 1 97  ? -41.37700 -2.85200  2.82000   1.000 71.45495  ? 416 TYR A CD2  1 
ATOM   1440 C  CE1  . TYR A 1 97  ? -40.21400 -0.40600  2.28400   1.000 47.99113  ? 416 TYR A CE1  1 
ATOM   1441 C  CE2  . TYR A 1 97  ? -41.65300 -1.76300  3.63000   1.000 65.91403  ? 416 TYR A CE2  1 
ATOM   1442 C  CZ   . TYR A 1 97  ? -41.06800 -0.54200  3.35500   1.000 49.50725  ? 416 TYR A CZ   1 
ATOM   1443 O  OH   . TYR A 1 97  ? -41.33100 0.54700   4.15500   1.000 55.52472  ? 416 TYR A OH   1 
ATOM   1444 H  H    . TYR A 1 97  ? -39.17900 -5.56900  -0.65500  1.000 65.12990  ? 416 TYR A H    1 
ATOM   1445 H  HA   . TYR A 1 97  ? -38.27500 -3.36900  0.44900   1.000 56.33254  ? 416 TYR A HA   1 
ATOM   1446 H  HB2  . TYR A 1 97  ? -40.59900 -3.77500  -0.02800  1.000 68.16803  ? 416 TYR A HB2  1 
ATOM   1447 H  HB3  . TYR A 1 97  ? -40.64500 -4.71300  1.21700   1.000 68.16803  ? 416 TYR A HB3  1 
ATOM   1448 H  HD1  . TYR A 1 97  ? -39.37500 -1.40100  0.75300   1.000 69.44235  ? 416 TYR A HD1  1 
ATOM   1449 H  HD2  . TYR A 1 97  ? -41.77200 -3.67300  3.00700   1.000 85.79089  ? 416 TYR A HD2  1 
ATOM   1450 H  HE1  . TYR A 1 97  ? -39.81800 0.41600   2.10300   1.000 57.36462  ? 416 TYR A HE1  1 
ATOM   1451 H  HE2  . TYR A 1 97  ? -42.22900 -1.85300  4.35500   1.000 79.14178  ? 416 TYR A HE2  1 
ATOM   1452 H  HH   . TYR A 1 97  ? -42.16200 0.64800   4.22700   1.000 66.67462  ? 416 TYR A HH   1 
ATOM   1453 N  N    . HIS A 1 98  ? -38.30100 -5.91000  2.39300   1.000 56.64184  ? 417 HIS A N    1 
ATOM   1454 C  CA   . HIS A 1 98  ? -37.83800 -6.43900  3.67600   1.000 48.33558  ? 417 HIS A CA   1 
ATOM   1455 C  C    . HIS A 1 98  ? -36.93600 -7.63200  3.36000   1.000 37.53319  ? 417 HIS A C    1 
ATOM   1456 O  O    . HIS A 1 98  ? -37.38400 -8.78100  3.34400   1.000 41.91503  ? 417 HIS A O    1 
ATOM   1457 C  CB   . HIS A 1 98  ? -39.03600 -6.81800  4.56800   1.000 54.27213  ? 417 HIS A CB   1 
ATOM   1458 C  CG   . HIS A 1 98  ? -39.76200 -5.64000  5.15000   1.000 84.40871  ? 417 HIS A CG   1 
ATOM   1459 N  ND1  . HIS A 1 98  ? -39.11200 -4.51400  5.61100   1.000 48.85566  ? 417 HIS A ND1  1 
ATOM   1460 C  CD2  . HIS A 1 98  ? -41.08400 -5.42200  5.35400   1.000 46.13417  ? 417 HIS A CD2  1 
ATOM   1461 C  CE1  . HIS A 1 98  ? -40.00200 -3.65300  6.07100   1.000 57.77282  ? 417 HIS A CE1  1 
ATOM   1462 N  NE2  . HIS A 1 98  ? -41.20500 -4.17900  5.92400   1.000 53.51480  ? 417 HIS A NE2  1 
ATOM   1463 H  H    . HIS A 1 98  ? -38.70000 -6.49100  1.90000   1.000 68.01515  ? 417 HIS A H    1 
ATOM   1464 H  HA   . HIS A 1 98  ? -37.33700 -5.77800  4.17800   1.000 58.04764  ? 417 HIS A HA   1 
ATOM   1465 H  HB2  . HIS A 1 98  ? -39.66100 -7.34600  4.04700   1.000 65.17151  ? 417 HIS A HB2  1 
ATOM   1466 H  HB3  . HIS A 1 98  ? -38.72200 -7.38300  5.29200   1.000 65.17151  ? 417 HIS A HB3  1 
ATOM   1467 H  HD1  . HIS A 1 98  ? -38.26100 -4.39200  5.60100   1.000 58.67174  ? 417 HIS A HD1  1 
ATOM   1468 H  HD2  . HIS A 1 98  ? -41.77800 -6.00500  5.14700   1.000 55.13626  ? 417 HIS A HD2  1 
ATOM   1469 H  HE1  . HIS A 1 98  ? -39.81400 -2.81900  6.43600   1.000 69.37234  ? 417 HIS A HE1  1 
ATOM   1470 N  N    . TYR A 1 99  ? -35.65700 -7.35600  3.12600   1.000 42.14275  ? 418 TYR A N    1 
ATOM   1471 C  CA   . TYR A 1 99  ? -34.65500 -8.41200  2.93900   1.000 57.49050  ? 418 TYR A CA   1 
ATOM   1472 C  C    . TYR A 1 99  ? -34.15800 -8.82400  4.32000   1.000 32.28508  ? 418 TYR A C    1 
ATOM   1473 O  O    . TYR A 1 99  ? -33.30500 -8.16000  4.91300   1.000 50.40680  ? 418 TYR A O    1 
ATOM   1474 C  CB   . TYR A 1 99  ? -33.52100 -7.92200  2.04600   1.000 33.48873  ? 418 TYR A CB   1 
ATOM   1475 C  CG   . TYR A 1 99  ? -32.70200 -9.03400  1.43100   1.000 42.73223  ? 418 TYR A CG   1 
ATOM   1476 C  CD1  . TYR A 1 99  ? -33.31000 -10.05000 0.70500   1.000 50.63518  ? 418 TYR A CD1  1 
ATOM   1477 C  CD2  . TYR A 1 99  ? -31.32000 -9.06000  1.56100   1.000 72.08616  ? 418 TYR A CD2  1 
ATOM   1478 C  CE1  . TYR A 1 99  ? -32.56600 -11.06700 0.13800   1.000 60.73470  ? 418 TYR A CE1  1 
ATOM   1479 C  CE2  . TYR A 1 99  ? -30.56700 -10.07300 0.99700   1.000 56.33617  ? 418 TYR A CE2  1 
ATOM   1480 C  CZ   . TYR A 1 99  ? -31.19600 -11.07300 0.28600   1.000 48.67701  ? 418 TYR A CZ   1 
ATOM   1481 O  OH   . TYR A 1 99  ? -30.45100 -12.08300 -0.27800  1.000 87.73578  ? 418 TYR A OH   1 
ATOM   1482 H  H    . TYR A 1 99  ? -35.34300 -6.55700  3.07100   1.000 50.61625  ? 418 TYR A H    1 
ATOM   1483 H  HA   . TYR A 1 99  ? -35.04200 -9.18100  2.49200   1.000 69.03355  ? 418 TYR A HA   1 
ATOM   1484 H  HB2  . TYR A 1 99  ? -33.89300 -7.37600  1.33600   1.000 39.96174  ? 418 TYR A HB2  1 
ATOM   1485 H  HB3  . TYR A 1 99  ? -32.93500 -7.35000  2.56600   1.000 39.96174  ? 418 TYR A HB3  1 
ATOM   1486 H  HD1  . TYR A 1 99  ? -34.23400 -10.04600 0.59900   1.000 60.80716  ? 418 TYR A HD1  1 
ATOM   1487 H  HD2  . TYR A 1 99  ? -30.89300 -8.38400  2.03600   1.000 86.54834  ? 418 TYR A HD2  1 
ATOM   1488 H  HE1  . TYR A 1 99  ? -32.98800 -11.74400 -0.34100  1.000 72.92659  ? 418 TYR A HE1  1 
ATOM   1489 H  HE2  . TYR A 1 99  ? -29.64200 -10.08000 1.09600   1.000 67.64835  ? 418 TYR A HE2  1 
ATOM   1490 H  HH   . TYR A 1 99  ? -29.72100 -11.77200 -0.55400  1.000 105.32788 ? 418 TYR A HH   1 
ATOM   1491 N  N    . GLU A 1 100 ? -34.69400 -9.92700  4.83600   1.000 38.51376  ? 419 GLU A N    1 
ATOM   1492 C  CA   . GLU A 1 100 ? -34.59300 -10.24900 6.25200   1.000 45.86119  ? 419 GLU A CA   1 
ATOM   1493 C  C    . GLU A 1 100 ? -33.20000 -10.75500 6.62600   1.000 37.10293  ? 419 GLU A C    1 
ATOM   1494 O  O    . GLU A 1 100 ? -32.43500 -11.24300 5.79000   1.000 37.54477  ? 419 GLU A O    1 
ATOM   1495 C  CB   . GLU A 1 100 ? -35.64100 -11.29500 6.63600   1.000 34.18179  ? 419 GLU A CB   1 
ATOM   1496 C  CG   . GLU A 1 100 ? -37.08000 -10.85300 6.41000   1.000 36.92807  ? 419 GLU A CG   1 
ATOM   1497 C  CD   . GLU A 1 100 ? -37.51800 -9.75900  7.36500   1.000 97.62208  ? 419 GLU A CD   1 
ATOM   1498 O  OE1  . GLU A 1 100 ? -36.87400 -9.59200  8.42200   1.000 65.82642  ? 419 GLU A OE1  1 
ATOM   1499 O  OE2  . GLU A 1 100 ? -38.51000 -9.06500  7.06000   1.000 72.60206  ? 419 GLU A OE2  1 
ATOM   1500 H  H    . GLU A 1 100 ? -35.12600 -10.50900 4.37300   1.000 46.26146  ? 419 GLU A H    1 
ATOM   1501 H  HA   . GLU A 1 100 ? -34.75500 -9.42900  6.74500   1.000 55.07838  ? 419 GLU A HA   1 
ATOM   1502 H  HB2  . GLU A 1 100 ? -35.47800 -12.10300 6.12500   1.000 40.79341  ? 419 GLU A HB2  1 
ATOM   1503 H  HB3  . GLU A 1 100 ? -35.52700 -11.52300 7.57200   1.000 40.79341  ? 419 GLU A HB3  1 
ATOM   1504 H  HG2  . GLU A 1 100 ? -37.17700 -10.53800 5.49800   1.000 44.08895  ? 419 GLU A HG2  1 
ATOM   1505 H  HG3  . GLU A 1 100 ? -37.66800 -11.61800 6.51000   1.000 44.08895  ? 419 GLU A HG3  1 
ATOM   1506 N  N    . GLY A 1 101 ? -32.88400 -10.62800 7.91400   1.000 42.51909  ? 420 GLY A N    1 
ATOM   1507 C  CA   . GLY A 1 101 ? -31.66800 -11.18400 8.47400   1.000 34.95681  ? 420 GLY A CA   1 
ATOM   1508 C  C    . GLY A 1 101 ? -30.39700 -10.44100 8.14300   1.000 36.20636  ? 420 GLY A C    1 
ATOM   1509 O  O    . GLY A 1 101 ? -29.30900 -11.00100 8.30100   1.000 34.76775  ? 420 GLY A O    1 
ATOM   1510 H  H    . GLY A 1 101 ? -33.37500 -10.21400 8.48500   1.000 51.06786  ? 420 GLY A H    1 
ATOM   1511 H  HA2  . GLY A 1 101 ? -31.76200 -11.21800 9.43900   1.000 41.99311  ? 420 GLY A HA2  1 
ATOM   1512 H  HA3  . GLY A 1 101 ? -31.57800 -12.09900 8.16500   1.000 41.99311  ? 420 GLY A HA3  1 
ATOM   1513 N  N    . MET A 1 102 ? -30.49300 -9.18500  7.70900   1.000 36.72489  ? 421 MET A N    1 
ATOM   1514 C  CA   . MET A 1 102 ? -29.33300 -8.49300  7.16000   1.000 24.95578  ? 421 MET A CA   1 
ATOM   1515 C  C    . MET A 1 102 ? -28.58400 -7.64500  8.17700   1.000 34.87617  ? 421 MET A C    1 
ATOM   1516 O  O    . MET A 1 102 ? -27.36500 -7.47800  8.04800   1.000 30.59840  ? 421 MET A O    1 
ATOM   1517 C  CB   . MET A 1 102 ? -29.76200 -7.61800  5.98100   1.000 32.99980  ? 421 MET A CB   1 
ATOM   1518 C  CG   . MET A 1 102 ? -30.09600 -8.42500  4.73800   1.000 35.71988  ? 421 MET A CG   1 
ATOM   1519 S  SD   . MET A 1 102 ? -28.64400 -9.23500  4.03800   1.000 37.10660  ? 421 MET A SD   1 
ATOM   1520 C  CE   . MET A 1 102 ? -27.83300 -7.85300  3.24600   1.000 42.71524  ? 421 MET A CE   1 
ATOM   1521 H  H    . MET A 1 102 ? -31.21600 -8.72000  7.72400   1.000 44.11482  ? 421 MET A H    1 
ATOM   1522 H  HA   . MET A 1 102 ? -28.71700 -9.18400  6.87100   1.000 29.72219  ? 421 MET A HA   1 
ATOM   1523 H  HB2  . MET A 1 102 ? -30.53600 -7.09300  6.23800   1.000 39.64471  ? 421 MET A HB2  1 
ATOM   1524 H  HB3  . MET A 1 102 ? -29.05100 -6.99200  5.77300   1.000 39.64471  ? 421 MET A HB3  1 
ATOM   1525 H  HG2  . MET A 1 102 ? -30.76200 -9.09400  4.95900   1.000 42.90881  ? 421 MET A HG2  1 
ATOM   1526 H  HG3  . MET A 1 102 ? -30.49100 -7.84100  4.07200   1.000 42.90881  ? 421 MET A HG3  1 
ATOM   1527 H  HE1  . MET A 1 102 ? -27.01700 -8.15800  2.82000   1.000 51.30324  ? 421 MET A HE1  1 
ATOM   1528 H  HE2  . MET A 1 102 ? -28.42300 -7.47100  2.57800   1.000 51.30324  ? 421 MET A HE2  1 
ATOM   1529 H  HE3  . MET A 1 102 ? -27.61800 -7.18000  3.91000   1.000 51.30324  ? 421 MET A HE3  1 
ATOM   1530 N  N    . SER A 1 103 ? -29.26600 -7.10600  9.18200   1.000 31.76585  ? 422 SER A N    1 
ATOM   1531 C  CA   . SER A 1 103 ? -28.63700 -6.20400  10.13400  1.000 37.94968  ? 422 SER A CA   1 
ATOM   1532 C  C    . SER A 1 103 ? -28.87300 -6.69900  11.55500  1.000 38.33116  ? 422 SER A C    1 
ATOM   1533 O  O    . SER A 1 103 ? -29.90600 -7.30300  11.85600  1.000 33.81465  ? 422 SER A O    1 
ATOM   1534 C  CB   . SER A 1 103 ? -29.17000 -4.77300  9.98400   1.000 28.52968  ? 422 SER A CB   1 
ATOM   1535 O  OG   . SER A 1 103 ? -28.51000 -3.88600  10.87000  1.000 102.14660 ? 422 SER A OG   1 
ATOM   1536 H  H    . SER A 1 103 ? -30.10100 -7.25300  9.32900   1.000 38.16397  ? 422 SER A H    1 
ATOM   1537 H  HA   . SER A 1 103 ? -27.68500 -6.19100  9.95000   1.000 45.58456  ? 422 SER A HA   1 
ATOM   1538 H  HB2  . SER A 1 103 ? -29.04600 -4.47300  9.07000   1.000 34.28056  ? 422 SER A HB2  1 
ATOM   1539 H  HB3  . SER A 1 103 ? -30.12400 -4.76000  10.16000  1.000 34.28056  ? 422 SER A HB3  1 
ATOM   1540 H  HG   . SER A 1 103 ? -27.89800 -3.48300  10.45900  1.000 122.62087 ? 422 SER A HG   1 
ATOM   1541 N  N    . VAL A 1 104 ? -27.90000 -6.43900  12.42600  1.000 24.11661  ? 423 VAL A N    1 
ATOM   1542 C  CA   . VAL A 1 104 ? -27.96600 -6.90900  13.80600  1.000 29.08744  ? 423 VAL A CA   1 
ATOM   1543 C  C    . VAL A 1 104 ? -28.89200 -6.00600  14.61000  1.000 33.90524  ? 423 VAL A C    1 
ATOM   1544 O  O    . VAL A 1 104 ? -28.75500 -4.77700  14.59400  1.000 35.44075  ? 423 VAL A O    1 
ATOM   1545 C  CB   . VAL A 1 104 ? -26.56300 -6.95800  14.43100  1.000 48.57037  ? 423 VAL A CB   1 
ATOM   1546 C  CG1  . VAL A 1 104 ? -26.64800 -7.34700  15.89900  1.000 41.39613  ? 423 VAL A CG1  1 
ATOM   1547 C  CG2  . VAL A 1 104 ? -25.68100 -7.93300  13.67200  1.000 36.52194  ? 423 VAL A CG2  1 
ATOM   1548 H  H    . VAL A 1 104 ? -27.19100 -5.99000  12.23600  1.000 28.98488  ? 423 VAL A H    1 
ATOM   1549 H  HA   . VAL A 1 104 ? -28.32400 -7.81100  13.81700  1.000 34.94988  ? 423 VAL A HA   1 
ATOM   1550 H  HB   . VAL A 1 104 ? -26.16700 -6.07400  14.37100  1.000 58.32939  ? 423 VAL A HB   1 
ATOM   1551 H  HG11 . VAL A 1 104 ? -25.75600 -7.37400  16.27900  1.000 49.72031  ? 423 VAL A HG11 1 
ATOM   1552 H  HG12 . VAL A 1 104 ? -27.18300 -6.69400  16.37700  1.000 49.72031  ? 423 VAL A HG12 1 
ATOM   1553 H  HG13 . VAL A 1 104 ? -27.05900 -8.22200  15.97900  1.000 49.72031  ? 423 VAL A HG13 1 
ATOM   1554 H  HG21 . VAL A 1 104 ? -24.79900 -7.95400  14.07600  1.000 43.87128  ? 423 VAL A HG21 1 
ATOM   1555 H  HG22 . VAL A 1 104 ? -26.07400 -8.81900  13.70700  1.000 43.87128  ? 423 VAL A HG22 1 
ATOM   1556 H  HG23 . VAL A 1 104 ? -25.60600 -7.64900  12.74800  1.000 43.87128  ? 423 VAL A HG23 1 
ATOM   1557 N  N    . ALA A 1 105 ? -29.83700 -6.61600  15.32200  1.000 30.00701  ? 424 ALA A N    1 
ATOM   1558 C  CA   . ALA A 1 105 ? -30.67300 -5.90600  16.28100  1.000 28.79885  ? 424 ALA A CA   1 
ATOM   1559 C  C    . ALA A 1 105 ? -30.16100 -6.05800  17.70900  1.000 48.11874  ? 424 ALA A C    1 
ATOM   1560 O  O    . ALA A 1 105 ? -30.08000 -5.07100  18.44500  1.000 47.27616  ? 424 ALA A O    1 
ATOM   1561 C  CB   . ALA A 1 105 ? -32.12400 -6.39300  16.18900  1.000 42.09516  ? 424 ALA A CB   1 
ATOM   1562 H  H    . ALA A 1 105 ? -30.01000 -7.45600  15.26100  1.000 36.05336  ? 424 ALA A H    1 
ATOM   1563 H  HA   . ALA A 1 105 ? -30.63500 -4.96400  16.05400  1.000 34.60356  ? 424 ALA A HA   1 
ATOM   1564 H  HB1  . ALA A 1 105 ? -32.66800 -5.91200  16.83200  1.000 50.55914  ? 424 ALA A HB1  1 
ATOM   1565 H  HB2  . ALA A 1 105 ? -32.46300 -6.23200  15.29500  1.000 50.55914  ? 424 ALA A HB2  1 
ATOM   1566 H  HB3  . ALA A 1 105 ? -32.16000 -7.34300  16.38200  1.000 50.55914  ? 424 ALA A HB3  1 
ATOM   1567 N  N    . GLU A 1 106 ? -29.79800 -7.27700  18.11200  1.000 38.73900  ? 425 GLU A N    1 
ATOM   1568 C  CA   . GLU A 1 106 ? -29.30900 -7.53400  19.45800  1.000 35.05089  ? 425 GLU A CA   1 
ATOM   1569 C  C    . GLU A 1 106 ? -28.20300 -8.57900  19.42800  1.000 26.30256  ? 425 GLU A C    1 
ATOM   1570 O  O    . GLU A 1 106 ? -28.19400 -9.47800  18.58400  1.000 37.77047  ? 425 GLU A O    1 
ATOM   1571 C  CB   . GLU A 1 106 ? -30.43100 -8.01300  20.39100  1.000 41.92952  ? 425 GLU A CB   1 
ATOM   1572 C  CG   . GLU A 1 106 ? -31.44100 -6.94100  20.75400  1.000 64.46118  ? 425 GLU A CG   1 
ATOM   1573 C  CD   . GLU A 1 106 ? -32.54300 -7.47000  21.64400  1.000 90.34261  ? 425 GLU A CD   1 
ATOM   1574 O  OE1  . GLU A 1 106 ? -32.39400 -8.59800  22.16100  1.000 97.66716  ? 425 GLU A OE1  1 
ATOM   1575 O  OE2  . GLU A 1 106 ? -33.55700 -6.76200  21.82200  1.000 108.45459 ? 425 GLU A OE2  1 
ATOM   1576 H  H    . GLU A 1 106 ? -29.83000 -7.97400  17.61000  1.000 46.53175  ? 425 GLU A H    1 
ATOM   1577 H  HA   . GLU A 1 106 ? -28.96200 -6.69600  19.80200  1.000 42.10601  ? 425 GLU A HA   1 
ATOM   1578 H  HB2  . GLU A 1 106 ? -30.89700 -8.75100  19.96700  1.000 50.36037  ? 425 GLU A HB2  1 
ATOM   1579 H  HB3  . GLU A 1 106 ? -30.03400 -8.35800  21.20600  1.000 50.36037  ? 425 GLU A HB3  1 
ATOM   1580 H  HG2  . GLU A 1 106 ? -30.98700 -6.21100  21.20300  1.000 77.39837  ? 425 GLU A HG2  1 
ATOM   1581 H  HG3  . GLU A 1 106 ? -31.82900 -6.57700  19.94300  1.000 77.39837  ? 425 GLU A HG3  1 
ATOM   1582 N  N    . CYS A 1 107 ? -27.28000 -8.45600  20.37400  1.000 46.04644  ? 426 CYS A N    1 
ATOM   1583 C  CA   . CYS A 1 107 ? -26.18400 -9.39200  20.55900  1.000 35.93957  ? 426 CYS A CA   1 
ATOM   1584 C  C    . CYS A 1 107 ? -26.37700 -10.17900 21.85100  1.000 34.68152  ? 426 CYS A C    1 
ATOM   1585 O  O    . CYS A 1 107 ? -27.10100 -9.76000  22.75700  1.000 40.06293  ? 426 CYS A O    1 
ATOM   1586 C  CB   . CYS A 1 107 ? -24.84200 -8.65500  20.58800  1.000 45.83446  ? 426 CYS A CB   1 
ATOM   1587 S  SG   . CYS A 1 107 ? -24.43600 -7.81000  19.04600  1.000 42.18356  ? 426 CYS A SG   1 
ATOM   1588 H  H    . CYS A 1 107 ? -27.27500 -7.80800  20.94000  1.000 55.30067  ? 426 CYS A H    1 
ATOM   1589 H  HA   . CYS A 1 107 ? -26.18000 -10.00900 19.81100  1.000 43.17243  ? 426 CYS A HA   1 
ATOM   1590 H  HB2  . CYS A 1 107 ? -24.85600 -8.00500  21.30800  1.000 55.04630  ? 426 CYS A HB2  1 
ATOM   1591 H  HB3  . CYS A 1 107 ? -24.13900 -9.29100  20.79300  1.000 55.04630  ? 426 CYS A HB3  1 
ATOM   1592 N  N    . GLY A 1 108 ? -25.71200 -11.32700 21.92700  1.000 33.44357  ? 427 GLY A N    1 
ATOM   1593 C  CA   . GLY A 1 108 ? -25.80100 -12.17000 23.10400  1.000 27.27437  ? 427 GLY A CA   1 
ATOM   1594 C  C    . GLY A 1 108 ? -24.82100 -13.31900 23.03700  1.000 32.71723  ? 427 GLY A C    1 
ATOM   1595 O  O    . GLY A 1 108 ? -24.30500 -13.66300 21.96800  1.000 38.77190  ? 427 GLY A O    1 
ATOM   1596 H  H    . GLY A 1 108 ? -25.20400 -11.63300 21.30400  1.000 40.17724  ? 427 GLY A H    1 
ATOM   1597 H  HA2  . GLY A 1 108 ? -25.62600 -11.64000 23.89700  1.000 32.50451  ? 427 GLY A HA2  1 
ATOM   1598 H  HA3  . GLY A 1 108 ? -26.70300 -12.51700 23.18800  1.000 32.50451  ? 427 GLY A HA3  1 
ATOM   1599 N  N    . CYS A 1 109 ? -24.57400 -13.91200 24.20000  1.000 35.28786  ? 428 CYS A N    1 
ATOM   1600 C  CA   . CYS A 1 109 ? -23.67000 -15.04800 24.31800  1.000 27.96923  ? 428 CYS A CA   1 
ATOM   1601 C  C    . CYS A 1 109 ? -24.45300 -16.34800 24.18500  1.000 41.26272  ? 428 CYS A C    1 
ATOM   1602 O  O    . CYS A 1 109 ? -25.50600 -16.51300 24.80900  1.000 39.46133  ? 428 CYS A O    1 
ATOM   1603 C  CB   . CYS A 1 109 ? -22.92500 -15.00300 25.65100  1.000 30.63935  ? 428 CYS A CB   1 
ATOM   1604 S  SG   . CYS A 1 109 ? -21.73700 -13.64700 25.75100  1.000 37.99317  ? 428 CYS A SG   1 
ATOM   1605 H  H    . CYS A 1 109 ? -24.92700 -13.66600 24.94400  1.000 42.39038  ? 428 CYS A H    1 
ATOM   1606 H  HA   . CYS A 1 109 ? -23.01400 -15.00300 23.60400  1.000 33.60802  ? 428 CYS A HA   1 
ATOM   1607 H  HB2  . CYS A 1 109 ? -23.56800 -14.91700 26.37200  1.000 36.81217  ? 428 CYS A HB2  1 
ATOM   1608 H  HB3  . CYS A 1 109 ? -22.46000 -15.84400 25.78400  1.000 36.81217  ? 428 CYS A HB3  1 
ATOM   1609 N  N    . ARG A 1 110 ? -23.93700 -17.26300 23.37000  1.000 29.40469  ? 429 ARG A N    1 
ATOM   1610 C  CA   . ARG A 1 110 ? -24.65500 -18.48900 23.04500  1.000 28.76343  ? 429 ARG A CA   1 
ATOM   1611 C  C    . ARG A 1 110 ? -23.72000 -19.69400 23.01500  1.000 29.41587  ? 429 ARG A C    1 
ATOM   1612 O  O    . ARG A 1 110 ? -24.13700 -20.82200 23.27700  1.000 31.14213  ? 429 ARG A O    1 
ATOM   1613 C  CB   . ARG A 1 110 ? -25.37000 -18.33800 21.69500  1.000 36.91669  ? 429 ARG A CB   1 
ATOM   1614 C  CG   . ARG A 1 110 ? -26.50000 -17.30600 21.69100  1.000 27.92206  ? 429 ARG A CG   1 
ATOM   1615 C  CD   . ARG A 1 110 ? -27.62900 -17.71500 22.63100  1.000 30.26448  ? 429 ARG A CD   1 
ATOM   1616 N  NE   . ARG A 1 110 ? -28.74700 -16.77600 22.62500  1.000 50.49070  ? 429 ARG A NE   1 
ATOM   1617 C  CZ   . ARG A 1 110 ? -28.90900 -15.78600 23.49700  1.000 34.45338  ? 429 ARG A CZ   1 
ATOM   1618 N  NH1  . ARG A 1 110 ? -28.02900 -15.55700 24.45800  1.000 45.52372  ? 429 ARG A NH1  1 
ATOM   1619 N  NH2  . ARG A 1 110 ? -29.98000 -15.00400 23.39900  1.000 49.46919  ? 429 ARG A NH2  1 
ATOM   1620 O  OXT  . ARG A 1 110 ? -22.52600 -19.57400 22.73000  1.000 53.40267  ? 429 ARG A OXT  1 
ATOM   1621 H  H    . ARG A 1 110 ? -23.16700 -17.19100 22.99300  1.000 35.33058  ? 429 ARG A H    1 
ATOM   1622 H  HA   . ARG A 1 110 ? -25.31300 -18.64300 23.74100  1.000 34.29137  ? 429 ARG A HA   1 
ATOM   1623 H  HB2  . ARG A 1 110 ? -24.71700 -18.09000 21.02200  1.000 44.34498  ? 429 ARG A HB2  1 
ATOM   1624 H  HB3  . ARG A 1 110 ? -25.73200 -19.19900 21.43500  1.000 44.34498  ? 429 ARG A HB3  1 
ATOM   1625 H  HG2  . ARG A 1 110 ? -26.15200 -16.44100 21.95800  1.000 33.28174  ? 429 ARG A HG2  1 
ATOM   1626 H  HG3  . ARG A 1 110 ? -26.84600 -17.20600 20.79000  1.000 33.28174  ? 429 ARG A HG3  1 
ATOM   1627 H  HD2  . ARG A 1 110 ? -27.95100 -18.59400 22.37800  1.000 36.09263  ? 429 ARG A HD2  1 
ATOM   1628 H  HD3  . ARG A 1 110 ? -27.28100 -17.78900 23.53300  1.000 36.09263  ? 429 ARG A HD3  1 
ATOM   1629 H  HE   . ARG A 1 110 ? -29.34400 -16.87000 22.01300  1.000 60.63379  ? 429 ARG A HE   1 
ATOM   1630 H  HH11 . ARG A 1 110 ? -27.33100 -16.05500 24.53000  1.000 54.67341  ? 429 ARG A HH11 1 
ATOM   1631 H  HH12 . ARG A 1 110 ? -28.15500 -14.91000 25.01100  1.000 54.67341  ? 429 ARG A HH12 1 
ATOM   1632 H  HH21 . ARG A 1 110 ? -30.55800 -15.14200 22.77700  1.000 59.40798  ? 429 ARG A HH21 1 
ATOM   1633 H  HH22 . ARG A 1 110 ? -30.09500 -14.36000 23.95800  1.000 59.40798  ? 429 ARG A HH22 1 
HETATM 1634 C  C1   . GOL B 2 .   ? -37.99100 -0.81300  5.01600   0.990 55.93750  ? 501 GOL A C1   1 
HETATM 1635 O  O1   . GOL B 2 .   ? -37.26200 0.05200   4.15200   0.990 55.79801  ? 501 GOL A O1   1 
HETATM 1636 C  C2   . GOL B 2 .   ? -37.17300 -1.21000  6.22300   0.990 56.22743  ? 501 GOL A C2   1 
HETATM 1637 O  O2   . GOL B 2 .   ? -38.03300 -1.59500  7.29300   0.990 56.16552  ? 501 GOL A O2   1 
HETATM 1638 C  C3   . GOL B 2 .   ? -36.15900 -2.29600  5.93900   0.990 56.37657  ? 501 GOL A C3   1 
HETATM 1639 O  O3   . GOL B 2 .   ? -36.74600 -3.41500  5.28200   0.990 56.63218  ? 501 GOL A O3   1 
HETATM 1640 H  H11  . GOL B 2 .   ? -38.25800 -1.60800  4.52900   0.990 67.16995  ? 501 GOL A H11  1 
HETATM 1641 H  H12  . GOL B 2 .   ? -38.80400 -0.37200  5.30600   0.990 67.16995  ? 501 GOL A H12  1 
HETATM 1642 H  HO1  . GOL B 2 .   ? -37.65800 0.10900   3.41300   0.990 67.00256  ? 501 GOL A HO1  1 
HETATM 1643 H  H2   . GOL B 2 .   ? -36.66100 -0.42700  6.47800   0.990 67.51786  ? 501 GOL A H2   1 
HETATM 1644 H  HO2  . GOL B 2 .   ? -37.57100 -1.86700  7.94000   0.990 67.44357  ? 501 GOL A HO2  1 
HETATM 1645 H  H31  . GOL B 2 .   ? -35.75500 -2.58600  6.77200   0.990 67.69683  ? 501 GOL A H31  1 
HETATM 1646 H  H32  . GOL B 2 .   ? -35.44600 -1.93600  5.38800   0.990 67.69683  ? 501 GOL A H32  1 
HETATM 1647 H  HO3  . GOL B 2 .   ? -36.41200 -4.12400  5.58400   0.990 68.00356  ? 501 GOL A HO3  1 
HETATM 1648 C  C1   A GOL C 2 .   ? -20.49800 -11.34100 14.62300  0.320 21.77407  ? 502 GOL A C1   1 
HETATM 1649 C  C1   B GOL C 2 .   ? -20.49800 -11.34100 14.62300  0.430 41.05628  ? 502 GOL A C1   1 
HETATM 1650 O  O1   A GOL C 2 .   ? -21.73100 -10.64900 14.79100  0.320 21.28987  ? 502 GOL A O1   1 
HETATM 1651 O  O1   B GOL C 2 .   ? -21.73100 -10.64900 14.79100  0.430 40.94813  ? 502 GOL A O1   1 
HETATM 1652 C  C2   A GOL C 2 .   ? -20.42000 -12.57300 15.49800  0.320 21.87702  ? 502 GOL A C2   1 
HETATM 1653 C  C2   B GOL C 2 .   ? -20.42000 -12.57300 15.49800  0.430 41.25630  ? 502 GOL A C2   1 
HETATM 1654 O  O2   A GOL C 2 .   ? -21.01000 -13.69100 14.83700  0.320 22.13266  ? 502 GOL A O2   1 
HETATM 1655 O  O2   B GOL C 2 .   ? -21.01000 -13.69100 14.83700  0.430 41.29635  ? 502 GOL A O2   1 
HETATM 1656 C  C3   A GOL C 2 .   ? -19.00600 -12.90300 15.93300  0.320 21.95374  ? 502 GOL A C3   1 
HETATM 1657 C  C3   B GOL C 2 .   ? -19.00600 -12.90300 15.93300  0.430 41.22215  ? 502 GOL A C3   1 
HETATM 1658 O  O3   A GOL C 2 .   ? -18.84100 -14.28700 16.23400  0.320 22.35848  ? 502 GOL A O3   1 
HETATM 1659 O  O3   B GOL C 2 .   ? -18.16100 -11.75000 15.90100  0.430 41.48511  ? 502 GOL A O3   1 
HETATM 1660 H  H11  A GOL C 2 .   ? -19.76200 -10.74600 14.83600  0.320 26.17383  ? 502 GOL A H11  1 
HETATM 1661 H  H11  B GOL C 2 .   ? -19.76200 -10.74600 14.83600  0.430 49.31249  ? 502 GOL A H11  1 
HETATM 1662 H  H12  A GOL C 2 .   ? -20.39600 -11.59800 13.69300  0.320 26.17383  ? 502 GOL A H12  1 
HETATM 1663 H  H12  B GOL C 2 .   ? -20.39600 -11.59800 13.69300  0.430 49.31249  ? 502 GOL A H12  1 
HETATM 1664 H  HO1  A GOL C 2 .   ? -21.78300 -10.02800 14.22700  0.320 25.59279  ? 502 GOL A HO1  1 
HETATM 1665 H  HO1  B GOL C 2 .   ? -21.78300 -10.02800 14.22700  0.430 49.18270  ? 502 GOL A HO1  1 
HETATM 1666 H  H2   A GOL C 2 .   ? -20.92000 -12.37300 16.30500  0.320 26.29737  ? 502 GOL A H2   1 
HETATM 1667 H  H2   B GOL C 2 .   ? -20.92000 -12.37300 16.30500  0.430 49.55251  ? 502 GOL A H2   1 
HETATM 1668 H  HO2  A GOL C 2 .   ? -21.74200 -13.88000 15.20400  0.320 26.60414  ? 502 GOL A HO2  1 
HETATM 1669 H  HO2  B GOL C 2 .   ? -20.75100 -14.40200 15.20200  0.430 49.60056  ? 502 GOL A HO2  1 
HETATM 1670 H  H31  A GOL C 2 .   ? -18.77900 -12.37500 16.71400  0.320 26.38943  ? 502 GOL A H31  1 
HETATM 1671 H  H31  B GOL C 2 .   ? -18.64000 -13.58900 15.35300  0.430 49.51153  ? 502 GOL A H31  1 
HETATM 1672 H  H32  A GOL C 2 .   ? -18.38700 -12.65100 15.23000  0.320 26.38943  ? 502 GOL A H32  1 
HETATM 1673 H  H32  B GOL C 2 .   ? -19.02000 -13.26900 16.83100  0.430 49.51153  ? 502 GOL A H32  1 
HETATM 1674 H  HO3  A GOL C 2 .   ? -18.91300 -14.40400 17.06300  0.320 26.87513  ? 502 GOL A HO3  1 
HETATM 1675 H  HO3  B GOL C 2 .   ? -18.46600 -11.16400 16.42000  0.430 49.82708  ? 502 GOL A HO3  1 
HETATM 1676 CL CL   . CL  D 3 .   ? -40.40000 -7.71000  1.34900   0.800 63.83412  ? 503 CL  A CL   1 
HETATM 1677 CL CL   . CL  E 3 .   ? -35.90100 -12.16700 2.75900   0.780 47.70301  ? 504 CL  A CL   1 
HETATM 1678 CL CL   . CL  F 3 .   ? -31.70600 -14.85400 14.57700  0.990 76.25074  ? 505 CL  A CL   1 
HETATM 1679 CL CL   . CL  G 3 .   ? -31.75600 -20.79100 28.64200  0.850 41.74793  ? 506 CL  A CL   1 
HETATM 1680 CL CL   . CL  H 3 .   ? -21.97700 -13.54600 36.39200  0.580 74.52395  ? 507 CL  A CL   1 
HETATM 1681 CL CL   . CL  I 3 .   ? -32.34500 -17.18700 26.66100  0.750 85.23835  ? 508 CL  A CL   1 
HETATM 1682 CL CL   . CL  J 3 .   ? -11.00800 -25.87900 21.80600  0.990 99.74371  ? 509 CL  A CL   1 
HETATM 1683 CL CL   . CL  K 3 .   ? -8.77000  -19.04500 29.12500  0.990 109.40665 ? 510 CL  A CL   1 
HETATM 1684 CL CL   . CL  L 3 .   ? -15.41300 -6.58200  34.99500  0.990 107.79128 ? 511 CL  A CL   1 
HETATM 1685 CL CL   . CL  M 3 .   ? -42.68400 -0.36400  6.80400   0.840 58.78295  ? 512 CL  A CL   1 
HETATM 1686 NA NA   . NA  N 4 .   ? -28.71700 -14.49500 14.45500  0.990 49.71343  ? 513 NA  A NA   1 
HETATM 1687 NA NA   . NA  O 4 .   ? -38.02300 -7.56900  12.23300  0.990 85.18934  ? 514 NA  A NA   1 
HETATM 1688 NA NA   . NA  P 4 .   ? -34.17100 -13.75000 10.38700  0.990 77.89291  ? 515 NA  A NA   1 
HETATM 1689 NA NA   . NA  Q 4 .   ? -16.97500 -14.31300 20.78600  0.990 48.94226  ? 516 NA  A NA   1 
HETATM 1690 NA NA   . NA  R 4 .   ? -7.42300  -28.40900 29.65600  0.800 40.23286  ? 517 NA  A NA   1 
HETATM 1691 NA NA   . NA  S 4 .   ? -40.69100 1.12800   9.44000   0.990 85.09646  ? 518 NA  A NA   1 
HETATM 1692 O  O    . HOH T 5 .   ? -30.51300 -11.24800 23.68700  0.990 59.33456  ? 601 HOH A O    1 
HETATM 1693 O  O    . HOH T 5 .   ? -22.94000 -22.72800 24.48000  0.990 26.79404  ? 602 HOH A O    1 
HETATM 1694 O  O    . HOH T 5 .   ? -10.03700 -30.05400 40.16100  0.930 65.11437  ? 603 HOH A O    1 
HETATM 1695 O  O    . HOH T 5 .   ? -29.23200 -7.48100  24.59900  0.990 67.30852  ? 604 HOH A O    1 
HETATM 1696 O  O    . HOH T 5 .   ? -26.86600 -21.39200 23.70600  0.990 28.38835  ? 605 HOH A O    1 
HETATM 1697 O  O    . HOH T 5 .   ? -20.15700 -11.11100 28.04600  0.990 66.64954  ? 606 HOH A O    1 
HETATM 1698 O  O    . HOH T 5 .   ? -11.60100 -16.24000 28.11500  0.990 69.41470  ? 607 HOH A O    1 
HETATM 1699 O  O    . HOH T 5 .   ? -39.75000 -7.56900  8.92400   0.990 59.64958  ? 608 HOH A O    1 
HETATM 1700 O  O    . HOH T 5 .   ? -30.40000 -1.96600  18.87700  0.990 56.16799  ? 609 HOH A O    1 
HETATM 1701 O  O    . HOH T 5 .   ? -34.66000 -10.02500 9.94700   0.990 41.05287  ? 610 HOH A O    1 
HETATM 1702 O  O    . HOH T 5 .   ? -10.14000 -23.55600 23.45600  0.750 63.34928  ? 611 HOH A O    1 
HETATM 1703 O  O    . HOH T 5 .   ? -33.74400 -19.96600 31.16200  0.980 60.56243  ? 612 HOH A O    1 
HETATM 1704 O  O    . HOH T 5 .   ? -15.79500 -2.61600  25.81800  0.990 62.12788  ? 613 HOH A O    1 
HETATM 1705 O  O    . HOH T 5 .   ? -16.00300 -3.53100  5.56800   0.990 45.14979  ? 614 HOH A O    1 
HETATM 1706 O  O    . HOH T 5 .   ? -15.99800 -15.32100 23.50900  0.990 59.86386  ? 615 HOH A O    1 
HETATM 1707 O  O    . HOH T 5 .   ? -13.31100 -4.40500  -7.30800  0.680 46.15327  ? 616 HOH A O    1 
HETATM 1708 O  O    . HOH T 5 .   ? -8.76300  -21.02500 32.26300  0.240 12.16770  ? 617 HOH A O    1 
HETATM 1709 O  O    . HOH T 5 .   ? -15.36100 -10.89000 19.89700  0.990 64.80546  ? 618 HOH A O    1 
HETATM 1710 O  O    . HOH T 5 .   ? -24.64500 -8.46400  35.36200  0.930 89.90901  ? 619 HOH A O    1 
HETATM 1711 O  O    . HOH T 5 .   ? -17.24200 -4.37900  3.19400   0.590 21.12421  ? 620 HOH A O    1 
HETATM 1712 O  O    . HOH T 5 .   ? -13.77300 -15.26400 33.33300  0.990 46.96063  ? 621 HOH A O    1 
HETATM 1713 O  O    . HOH T 5 .   ? -19.60100 -8.91300  -9.63000  0.990 64.01363  ? 622 HOH A O    1 
HETATM 1714 O  O    . HOH T 5 .   ? -22.40700 -5.30000  27.16900  0.990 67.21281  ? 623 HOH A O    1 
HETATM 1715 O  O    . HOH T 5 .   ? -40.61600 -3.55500  -7.07600  0.970 50.51787  ? 624 HOH A O    1 
HETATM 1716 O  O    . HOH T 5 .   ? -16.85200 -0.71900  9.35200   0.840 32.97805  ? 625 HOH A O    1 
HETATM 1717 O  O    . HOH T 5 .   ? -29.10700 -16.66000 17.47900  0.990 61.14268  ? 626 HOH A O    1 
HETATM 1718 O  O    . HOH T 5 .   ? -23.62800 -2.32200  -7.17300  0.990 75.81847  ? 627 HOH A O    1 
HETATM 1719 O  O    . HOH T 5 .   ? -31.41600 -2.75100  13.86600  0.990 54.40304  ? 628 HOH A O    1 
HETATM 1720 O  O    . HOH T 5 .   ? -34.16600 -12.67300 14.26900  0.990 39.05059  ? 629 HOH A O    1 
HETATM 1721 O  O    . HOH T 5 .   ? -41.13700 -6.56000  -1.53200  0.920 57.13975  ? 630 HOH A O    1 
HETATM 1722 O  O    . HOH T 5 .   ? -26.80600 -5.85400  22.25000  0.990 42.65572  ? 631 HOH A O    1 
HETATM 1723 O  O    . HOH T 5 .   ? -19.23900 1.26700   17.05500  0.990 57.69006  ? 632 HOH A O    1 
HETATM 1724 O  O    . HOH T 5 .   ? -22.86100 -0.79600  22.24800  0.990 59.61098  ? 633 HOH A O    1 
HETATM 1725 O  O    . HOH T 5 .   ? -44.29900 -3.13900  6.19500   0.990 63.72234  ? 634 HOH A O    1 
HETATM 1726 O  O    . HOH T 5 .   ? -37.09400 -9.93700  13.69000  0.990 75.39276  ? 635 HOH A O    1 
HETATM 1727 O  O    . HOH T 5 .   ? -18.15100 -6.76800  34.39200  0.680 54.91828  ? 636 HOH A O    1 
HETATM 1728 O  O    . HOH T 5 .   ? -25.39900 -3.51000  22.32200  0.990 56.57917  ? 637 HOH A O    1 
HETATM 1729 O  O    . HOH T 5 .   ? -31.96800 -16.09900 20.95800  0.990 77.10374  ? 638 HOH A O    1 
HETATM 1730 O  O    . HOH T 5 .   ? -21.52100 -1.94400  -4.62500  0.990 73.61728  ? 639 HOH A O    1 
HETATM 1731 O  O    . HOH T 5 .   ? -19.15300 0.51300   -4.53500  0.700 43.66861  ? 640 HOH A O    1 
HETATM 1732 O  O    . HOH T 5 .   ? -12.12100 -20.81300 23.27600  0.920 64.25279  ? 641 HOH A O    1 
HETATM 1733 O  O    . HOH T 5 .   ? -36.83000 -2.48700  10.38000  0.990 66.69986  ? 642 HOH A O    1 
HETATM 1734 O  O    . HOH T 5 .   ? -24.82400 3.82500   14.12900  0.890 62.60768  ? 643 HOH A O    1 
HETATM 1735 O  O    . HOH T 5 .   ? -39.92700 -13.27700 2.41600   0.820 76.58316  ? 644 HOH A O    1 
HETATM 1736 O  O    . HOH T 5 .   ? -14.34600 -26.11000 20.67000  0.990 76.47186  ? 645 HOH A O    1 
HETATM 1737 O  O    . HOH T 5 .   ? -25.64000 3.99300   -0.92200  0.990 67.95531  ? 646 HOH A O    1 
HETATM 1738 O  O    . HOH T 5 .   ? -8.20400  -27.31900 36.39200  0.890 100.58005 ? 647 HOH A O    1 
HETATM 1739 O  O    . HOH T 5 .   ? -20.56500 -6.62400  35.42000  0.340 36.85720  ? 648 HOH A O    1 
HETATM 1740 O  O    . HOH T 5 .   ? -34.50300 -1.17600  10.18400  0.990 66.74682  ? 649 HOH A O    1 
HETATM 1741 O  O    . HOH T 5 .   ? -14.81300 -2.90000  12.23100  0.770 67.13121  ? 650 HOH A O    1 
HETATM 1742 O  O    . HOH T 5 .   ? -13.66500 -20.89500 21.10300  0.990 64.05867  ? 651 HOH A O    1 
HETATM 1743 O  O    . HOH T 5 .   ? -14.45900 -0.09000  -3.17400  0.990 74.28869  ? 652 HOH A O    1 
HETATM 1744 O  O    . HOH T 5 .   ? -33.65400 -3.11700  18.35400  0.990 67.27226  ? 653 HOH A O    1 
HETATM 1745 O  O    . HOH T 5 .   ? -33.55100 -13.05800 23.09800  0.990 61.87346  ? 654 HOH A O    1 
HETATM 1746 O  O    . HOH T 5 .   ? -24.55800 1.06600   18.28900  0.990 70.31271  ? 655 HOH A O    1 
HETATM 1747 O  O    . HOH T 5 .   ? -20.32500 -4.21700  27.72600  0.990 74.72898  ? 656 HOH A O    1 
HETATM 1748 O  O    . HOH T 5 .   ? -42.46700 -4.12700  -2.61700  0.990 75.90475  ? 657 HOH A O    1 
HETATM 1749 O  O    . HOH T 5 .   ? -39.44100 -4.46600  10.45400  0.990 81.86631  ? 658 HOH A O    1 
HETATM 1750 O  O    . HOH T 5 .   ? -14.22000 -2.74100  7.53700   0.990 64.51753  ? 659 HOH A O    1 
HETATM 1751 O  O    . HOH T 5 .   ? -13.61300 -17.60500 30.02200  0.990 68.61489  ? 660 HOH A O    1 
HETATM 1752 O  O    . HOH T 5 .   ? -43.74300 -4.09900  10.02300  0.990 70.60085  ? 661 HOH A O    1 
HETATM 1753 O  O    . HOH T 5 .   ? -44.13100 -4.74700  1.34400   0.900 64.92488  ? 662 HOH A O    1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N  N    . GLY A 5   ? 1.99211 1.64829 1.07458 -0.31125 -0.37869 -0.12853 324 GLY A N    
2    C  CA   . GLY A 5   ? 2.13046 1.83602 1.23053 -0.27379 -0.33876 -0.10447 324 GLY A CA   
3    C  C    . GLY A 5   ? 2.07138 1.79792 1.26919 -0.26700 -0.31531 -0.08856 324 GLY A C    
4    O  O    . GLY A 5   ? 2.15580 1.82538 1.33381 -0.24465 -0.28022 -0.11626 324 GLY A O    
5    H  HA2  . GLY A 5   ? 2.07937 2.07937 2.07937 0.00000  -0.00000 0.00000  324 GLY A HA2  
6    H  HA3  . GLY A 5   ? 2.07937 2.07937 2.07937 0.00000  -0.00000 0.00000  324 GLY A HA3  
7    N  N    . SER A 6   ? 1.71304 1.52425 1.02175 -0.28408 -0.33340 -0.04293 325 SER A N    
8    C  CA   . SER A 6   ? 1.96700 1.81273 1.37713 -0.27862 -0.31449 -0.02516 325 SER A CA   
9    C  C    . SER A 6   ? 1.76007 1.66226 1.18665 -0.24436 -0.28309 -0.00058 325 SER A C    
10   O  O    . SER A 6   ? 1.76335 1.75461 1.27671 -0.24765 -0.29310 0.04445  325 SER A O    
11   C  CB   . SER A 6   ? 1.72461 1.63316 1.25939 -0.31190 -0.34472 0.01052  325 SER A CB   
12   O  OG   . SER A 6   ? 1.48007 1.42478 1.11385 -0.30285 -0.32283 0.02534  325 SER A OG   
13   H  H    . SER A 6   ? 1.70419 1.70419 1.70419 -0.00000 -0.00000 0.00000  325 SER A H    
14   H  HA   . SER A 6   ? 2.06331 2.06331 2.06331 0.00000  -0.00000 -0.00000 325 SER A HA   
15   H  HB2  . SER A 6   ? 1.84743 1.84743 1.84743 -0.00000 -0.00000 0.00000  325 SER A HB2  
16   H  HB3  . SER A 6   ? 1.84743 1.84743 1.84743 -0.00000 -0.00000 0.00000  325 SER A HB3  
17   H  HG   . SER A 6   ? 1.60805 1.60805 1.60805 -0.00000 -0.00000 0.00000  325 SER A HG   
18   N  N    . HIS A 7   ? 1.54571 1.39839 0.90678 -0.20506 -0.23716 -0.02726 326 HIS A N    
19   C  CA   . HIS A 7   ? 1.38646 1.29184 0.79021 -0.15861 -0.18936 -0.00458 326 HIS A CA   
20   C  C    . HIS A 7   ? 1.15556 1.06221 0.64289 -0.12663 -0.14621 -0.01216 326 HIS A C    
21   O  O    . HIS A 7   ? 1.13215 1.00200 0.64102 -0.13861 -0.15130 -0.03125 326 HIS A O    
22   C  CB   . HIS A 7   ? 1.25515 1.11736 0.52881 -0.13140 -0.16426 -0.02134 326 HIS A CB   
23   C  CG   . HIS A 7   ? 1.90135 1.78763 1.10868 -0.15200 -0.19953 -0.00249 326 HIS A CG   
24   N  ND1  . HIS A 7   ? 1.10506 1.08556 0.38190 -0.15721 -0.21326 0.05219  326 HIS A ND1  
25   C  CD2  . HIS A 7   ? 1.85708 1.69708 0.96989 -0.15908 -0.21729 -0.02998 326 HIS A CD2  
26   C  CE1  . HIS A 7   ? 1.68275 1.66689 0.90149 -0.16567 -0.23819 0.05761  326 HIS A CE1  
27   N  NE2  . HIS A 7   ? 1.61442 1.51619 0.72881 -0.16788 -0.24261 0.00701  326 HIS A NE2  
28   H  H    . HIS A 7   ? 1.54092 1.54092 1.54092 0.00000  -0.00000 0.00000  326 HIS A H    
29   H  HA   . HIS A 7   ? 1.38797 1.38797 1.38797 0.00000  -0.00000 -0.00000 326 HIS A HA   
30   H  HB2  . HIS A 7   ? 1.16109 1.16109 1.16109 -0.00000 -0.00000 0.00000  326 HIS A HB2  
31   H  HB3  . HIS A 7   ? 1.16109 1.16109 1.16109 -0.00000 -0.00000 0.00000  326 HIS A HB3  
32   H  HD2  . HIS A 7   ? 1.81019 1.81019 1.81019 -0.00000 -0.00000 0.00000  326 HIS A HD2  
33   H  HE1  . HIS A 7   ? 1.70103 1.70103 1.70103 -0.00000 -0.00000 -0.00000 326 HIS A HE1  
34   H  HE2  . HIS A 7   ? 1.54434 1.54434 1.54434 0.00000  -0.00000 0.00000  326 HIS A HE2  
35   N  N    . CYS A 8   ? 0.80954 0.76063 0.34465 -0.08628 -0.10497 0.00560  327 CYS A N    
36   C  CA   . CYS A 8   ? 0.74504 0.71302 0.36987 -0.05618 -0.06981 0.00369  327 CYS A CA   
37   C  C    . CYS A 8   ? 0.76696 0.65114 0.32167 -0.03253 -0.04144 -0.03611 327 CYS A C    
38   O  O    . CYS A 8   ? 1.02821 0.87266 0.49926 -0.00710 -0.01490 -0.05054 327 CYS A O    
39   C  CB   . CYS A 8   ? 0.63598 0.67400 0.33424 -0.02389 -0.03940 0.03462  327 CYS A CB   
40   S  SG   . CYS A 8   ? 0.53772 0.60854 0.35636 0.00899  -0.00619 0.03412  327 CYS A SG   
41   H  H    . CYS A 8   ? 0.76308 0.76308 0.76308 0.00000  -0.00000 0.00000  327 CYS A H    
42   H  HA   . CYS A 8   ? 0.73174 0.73174 0.73174 0.00000  -0.00000 -0.00000 327 CYS A HA   
43   H  HB2  . CYS A 8   ? 0.65484 0.65484 0.65484 -0.00000 -0.00000 0.00000  327 CYS A HB2  
44   H  HB3  . CYS A 8   ? 0.65484 0.65484 0.65484 -0.00000 -0.00000 0.00000  327 CYS A HB3  
45   N  N    . GLN A 9   ? 0.74806 0.60671 0.33886 -0.03809 -0.04379 -0.05074 328 GLN A N    
46   C  CA   . GLN A 9   ? 0.79201 0.56875 0.32354 -0.01719 -0.02020 -0.08435 328 GLN A CA   
47   C  C    . GLN A 9   ? 0.71356 0.49939 0.32510 -0.01113 -0.01369 -0.08308 328 GLN A C    
48   O  O    . GLN A 9   ? 0.69646 0.53513 0.38770 -0.03204 -0.03292 -0.06367 328 GLN A O    
49   C  CB   . GLN A 9   ? 0.92380 0.60931 0.34184 -0.04567 -0.04465 -0.11571 328 GLN A CB   
50   C  CG   . GLN A 9   ? 1.04147 0.72644 0.48957 -0.09588 -0.09047 -0.11100 328 GLN A CG   
51   C  CD   . GLN A 9   ? 1.60606 1.19151 0.95047 -0.12558 -0.11642 -0.14578 328 GLN A CD   
52   O  OE1  . GLN A 9   ? 1.35921 0.87070 0.61294 -0.10319 -0.09456 -0.17713 328 GLN A OE1  
53   N  NE2  . GLN A 9   ? 1.80123 1.38855 1.17130 -0.17493 -0.16157 -0.13876 328 GLN A NE2  
54   H  H    . GLN A 9   ? 0.67802 0.67802 0.67802 -0.00000 0.00000  0.00000  328 GLN A H    
55   H  HA   . GLN A 9   ? 0.67087 0.67087 0.67087 -0.00000 -0.00000 0.00000  328 GLN A HA   
56   H  HB2  . GLN A 9   ? 0.74714 0.74714 0.74714 -0.00000 0.00000  0.00000  328 GLN A HB2  
57   H  HB3  . GLN A 9   ? 0.74714 0.74714 0.74714 -0.00000 0.00000  0.00000  328 GLN A HB3  
58   H  HG2  . GLN A 9   ? 0.90356 0.90356 0.90356 -0.00000 -0.00000 0.00000  328 GLN A HG2  
59   H  HG3  . GLN A 9   ? 0.90356 0.90356 0.90356 -0.00000 -0.00000 0.00000  328 GLN A HG3  
60   H  HE21 . GLN A 9   ? 1.74500 1.74500 1.74500 0.00000  -0.00000 -0.00000 328 GLN A HE21 
61   H  HE22 . GLN A 9   ? 1.74500 1.74500 1.74500 0.00000  -0.00000 -0.00000 328 GLN A HE22 
62   N  N    . LYS A 10  ? 0.84829 0.58143 0.43457 0.01979  0.01515  -0.10271 329 LYS A N    
63   C  CA   . LYS A 10  ? 0.84331 0.57756 0.48845 0.02981  0.02242  -0.10130 329 LYS A CA   
64   C  C    . LYS A 10  ? 0.85022 0.52050 0.46112 -0.00263 -0.00019 -0.11366 329 LYS A C    
65   O  O    . LYS A 10  ? 1.27118 0.85496 0.79666 -0.00635 0.00008  -0.13896 329 LYS A O    
66   C  CB   . LYS A 10  ? 0.72052 0.43170 0.36191 0.07787  0.06043  -0.11046 329 LYS A CB   
67   C  CG   . LYS A 10  ? 0.87204 0.58893 0.56920 0.09142  0.06572  -0.10578 329 LYS A CG   
68   C  CD   . LYS A 10  ? 0.78512 0.49025 0.49004 0.13855  0.09833  -0.10919 329 LYS A CD   
69   C  CE   . LYS A 10  ? 0.86344 0.50304 0.50848 0.14065  0.10730  -0.12228 329 LYS A CE   
70   N  NZ   . LYS A 10  ? 1.32370 0.98904 1.01622 0.16909  0.12611  -0.11074 329 LYS A NZ   
71   H  H    . LYS A 10  ? 0.74629 0.74629 0.74629 -0.00000 -0.00000 -0.00000 329 LYS A H    
72   H  HA   . LYS A 10  ? 0.76429 0.76429 0.76429 -0.00000 -0.00000 0.00000  329 LYS A HA   
73   H  HB2  . LYS A 10  ? 0.60623 0.60623 0.60623 0.00000  0.00000  -0.00000 329 LYS A HB2  
74   H  HB3  . LYS A 10  ? 0.60623 0.60623 0.60623 0.00000  0.00000  -0.00000 329 LYS A HB3  
75   H  HG2  . LYS A 10  ? 0.81264 0.81264 0.81264 -0.00000 -0.00000 0.00000  329 LYS A HG2  
76   H  HG3  . LYS A 10  ? 0.81264 0.81264 0.81264 -0.00000 -0.00000 0.00000  329 LYS A HG3  
77   H  HD2  . LYS A 10  ? 0.70674 0.70674 0.70674 -0.00000 0.00000  -0.00000 329 LYS A HD2  
78   H  HD3  . LYS A 10  ? 0.70674 0.70674 0.70674 -0.00000 0.00000  -0.00000 329 LYS A HD3  
79   H  HE2  . LYS A 10  ? 0.75056 0.75056 0.75056 -0.00000 -0.00000 -0.00000 329 LYS A HE2  
80   H  HE3  . LYS A 10  ? 0.75056 0.75056 0.75056 -0.00000 -0.00000 -0.00000 329 LYS A HE3  
81   H  HZ1  . LYS A 10  ? 1.33215 1.33215 1.33215 -0.00000 -0.00000 -0.00000 329 LYS A HZ1  
82   H  HZ2  . LYS A 10  ? 1.33215 1.33215 1.33215 -0.00000 -0.00000 -0.00000 329 LYS A HZ2  
83   H  HZ3  . LYS A 10  ? 1.33215 1.33215 1.33215 -0.00000 -0.00000 -0.00000 329 LYS A HZ3  
84   N  N    . THR A 11  ? 0.77307 0.48346 0.45261 -0.02526 -0.01743 -0.09570 330 THR A N    
85   C  CA   . THR A 11  ? 1.00219 0.66337 0.67098 -0.05612 -0.03570 -0.09848 330 THR A CA   
86   C  C    . THR A 11  ? 0.75964 0.43151 0.47974 -0.03573 -0.01735 -0.08777 330 THR A C    
87   O  O    . THR A 11  ? 0.62648 0.35226 0.39502 -0.00368 0.00175  -0.07932 330 THR A O    
88   C  CB   . THR A 11  ? 0.84665 0.54806 0.55184 -0.10428 -0.07218 -0.08040 330 THR A CB   
89   O  OG1  . THR A 11  ? 0.88413 0.67823 0.68533 -0.09866 -0.06757 -0.05360 330 THR A OG1  
90   C  CG2  . THR A 11  ? 1.09143 0.79075 0.74343 -0.12380 -0.09525 -0.08705 330 THR A CG2  
91   H  H    . THR A 11  ? 0.68422 0.68422 0.68422 0.00000  -0.00000 -0.00000 330 THR A H    
92   H  HA   . THR A 11  ? 0.93519 0.93519 0.93519 -0.00000 -0.00000 0.00000  330 THR A HA   
93   H  HB   . THR A 11  ? 0.77919 0.77919 0.77919 0.00000  0.00000  0.00000  330 THR A HB   
94   H  HG1  . THR A 11  ? 0.89965 0.89965 0.89965 -0.00000 -0.00000 0.00000  330 THR A HG1  
95   H  HG21 . THR A 11  ? 1.05081 1.05081 1.05081 0.00000  -0.00000 0.00000  330 THR A HG21 
96   H  HG22 . THR A 11  ? 1.05081 1.05081 1.05081 0.00000  -0.00000 0.00000  330 THR A HG22 
97   H  HG23 . THR A 11  ? 1.05081 1.05081 1.05081 0.00000  -0.00000 0.00000  330 THR A HG23 
98   N  N    . SER A 12  ? 0.80054 0.42013 0.50944 -0.05584 -0.02520 -0.08693 331 SER A N    
99   C  CA   . SER A 12  ? 0.86739 0.48876 0.61022 -0.03583 -0.00744 -0.07392 331 SER A CA   
100  C  C    . SER A 12  ? 0.69187 0.40078 0.51509 -0.04305 -0.00980 -0.04782 331 SER A C    
101  O  O    . SER A 12  ? 0.71590 0.46484 0.57405 -0.07635 -0.02924 -0.03515 331 SER A O    
102  C  CB   . SER A 12  ? 1.08025 0.61620 0.78950 -0.05554 -0.01284 -0.07579 331 SER A CB   
103  O  OG   . SER A 12  ? 1.68409 1.22385 1.42249 -0.03480 0.00498  -0.05716 331 SER A OG   
104  H  H    . SER A 12  ? 0.69261 0.69261 0.69261 -0.00000 -0.00000 -0.00000 331 SER A H    
105  H  HA   . SER A 12  ? 0.78712 0.78712 0.78712 -0.00000 0.00000  0.00000  331 SER A HA   
106  H  HB2  . SER A 12  ? 0.99495 0.99495 0.99495 -0.00000 0.00000  0.00000  331 SER A HB2  
107  H  HB3  . SER A 12  ? 0.99495 0.99495 0.99495 -0.00000 0.00000  0.00000  331 SER A HB3  
108  H  HG   . SER A 12  ? 1.73274 1.73274 1.73274 -0.00000 -0.00000 0.00000  331 SER A HG   
109  N  N    . LEU A 13  ? 0.65257 0.39077 0.50424 -0.01001 0.01008  -0.04007 332 LEU A N    
110  C  CA   . LEU A 13  ? 0.55669 0.36698 0.47187 -0.01112 0.01313  -0.02003 332 LEU A CA   
111  C  C    . LEU A 13  ? 0.52380 0.32720 0.43526 0.02004  0.03109  -0.01332 332 LEU A C    
112  O  O    . LEU A 13  ? 0.54428 0.36039 0.45399 0.05616  0.04110  -0.02306 332 LEU A O    
113  C  CB   . LEU A 13  ? 0.58280 0.47000 0.54686 -0.00057 0.01277  -0.02218 332 LEU A CB   
114  C  CG   . LEU A 13  ? 0.50392 0.46070 0.53021 0.00400  0.01966  -0.00833 332 LEU A CG   
115  C  CD1  . LEU A 13  ? 0.56252 0.52873 0.61430 -0.03200 0.01278  0.01344  332 LEU A CD1  
116  C  CD2  . LEU A 13  ? 0.49750 0.51975 0.57605 0.01486  0.01902  -0.01316 332 LEU A CD2  
117  H  H    . LEU A 13  ? 0.61960 0.61960 0.61960 -0.00000 -0.00000 -0.00000 332 LEU A H    
118  H  HA   . LEU A 13  ? 0.55879 0.55879 0.55879 0.00000  0.00000  0.00000  332 LEU A HA   
119  H  HB2  . LEU A 13  ? 0.64043 0.64043 0.64043 0.00000  0.00000  0.00000  332 LEU A HB2  
120  H  HB3  . LEU A 13  ? 0.64043 0.64043 0.64043 0.00000  0.00000  0.00000  332 LEU A HB3  
121  H  HG   . LEU A 13  ? 0.59850 0.59850 0.59850 0.00000  0.00000  0.00000  332 LEU A HG   
122  H  HD11 . LEU A 13  ? 0.68279 0.68279 0.68279 0.00000  0.00000  0.00000  332 LEU A HD11 
123  H  HD12 . LEU A 13  ? 0.68279 0.68279 0.68279 0.00000  0.00000  0.00000  332 LEU A HD12 
124  H  HD13 . LEU A 13  ? 0.68279 0.68279 0.68279 0.00000  0.00000  0.00000  332 LEU A HD13 
125  H  HD21 . LEU A 13  ? 0.63789 0.63789 0.63789 -0.00000 0.00000  -0.00000 332 LEU A HD21 
126  H  HD22 . LEU A 13  ? 0.63789 0.63789 0.63789 -0.00000 0.00000  -0.00000 332 LEU A HD22 
127  H  HD23 . LEU A 13  ? 0.63789 0.63789 0.63789 -0.00000 0.00000  -0.00000 332 LEU A HD23 
128  N  N    . ARG A 14  ? 0.71913 0.50554 0.63247 0.00545  0.03390  0.00682  333 ARG A N    
129  C  CA   . ARG A 14  ? 0.57722 0.36122 0.48305 0.03287  0.04957  0.02034  333 ARG A CA   
130  C  C    . ARG A 14  ? 0.46320 0.32687 0.41121 0.04165  0.05732  0.03111  333 ARG A C    
131  O  O    . ARG A 14  ? 0.80877 0.70734 0.79281 0.01565  0.05687  0.04507  333 ARG A O    
132  C  CB   . ARG A 14  ? 0.80543 0.52619 0.68955 0.01443  0.05221  0.04119  333 ARG A CB   
133  C  CG   . ARG A 14  ? 1.34956 0.97774 1.18684 0.00856  0.04637  0.02599  333 ARG A CG   
134  C  CD   . ARG A 14  ? 1.77672 1.33871 1.59674 0.00436  0.05382  0.04830  333 ARG A CD   
135  N  NE   . ARG A 14  ? 1.78170 1.36390 1.60002 0.04330  0.07077  0.06751  333 ARG A NE   
136  C  CZ   . ARG A 14  ? 1.68633 1.24298 1.47983 0.08292  0.07830  0.05924  333 ARG A CZ   
137  N  NH1  . ARG A 14  ? 1.70389 1.21192 1.47183 0.09248  0.07704  0.03151  333 ARG A NH1  
138  N  NH2  . ARG A 14  ? 1.55204 1.13489 1.34594 0.11496  0.08775  0.08088  333 ARG A NH2  
139  H  H    . ARG A 14  ? 0.74342 0.74342 0.74342 -0.00000 -0.00000 -0.00000 333 ARG A H    
140  H  HA   . ARG A 14  ? 0.56917 0.56917 0.56917 -0.00000 0.00000  -0.00000 333 ARG A HA   
141  H  HB2  . ARG A 14  ? 0.80904 0.80904 0.80904 0.00000  -0.00000 -0.00000 333 ARG A HB2  
142  H  HB3  . ARG A 14  ? 0.80904 0.80904 0.80904 0.00000  -0.00000 -0.00000 333 ARG A HB3  
143  H  HG2  . ARG A 14  ? 1.40622 1.40622 1.40622 -0.00000 -0.00000 -0.00000 333 ARG A HG2  
144  H  HG3  . ARG A 14  ? 1.40622 1.40622 1.40622 -0.00000 -0.00000 -0.00000 333 ARG A HG3  
145  H  HD2  . ARG A 14  ? 1.88544 1.88544 1.88544 0.00000  -0.00000 -0.00000 333 ARG A HD2  
146  H  HD3  . ARG A 14  ? 1.88544 1.88544 1.88544 0.00000  -0.00000 -0.00000 333 ARG A HD3  
147  H  HE   . ARG A 14  ? 1.89882 1.89882 1.89882 0.00000  -0.00000 0.00000  333 ARG A HE   
148  H  HH11 . ARG A 14  ? 1.75562 1.75562 1.75562 0.00000  -0.00000 -0.00000 333 ARG A HH11 
149  H  HH12 . ARG A 14  ? 1.75562 1.75562 1.75562 0.00000  -0.00000 -0.00000 333 ARG A HH12 
150  H  HH21 . ARG A 14  ? 1.61372 1.61372 1.61372 0.00000  -0.00000 -0.00000 333 ARG A HH21 
151  H  HH22 . ARG A 14  ? 1.61372 1.61372 1.61372 0.00000  -0.00000 -0.00000 333 ARG A HH22 
152  N  N    . VAL A 15  ? 0.55574 0.44719 0.50022 0.07872  0.06403  0.02401  334 VAL A N    
153  C  CA   . VAL A 15  ? 0.55220 0.51325 0.52630 0.09203  0.07015  0.02400  334 VAL A CA   
154  C  C    . VAL A 15  ? 0.55155 0.50947 0.49452 0.11328  0.08124  0.04164  334 VAL A C    
155  O  O    . VAL A 15  ? 0.65839 0.59292 0.57132 0.14050  0.07843  0.03997  334 VAL A O    
156  C  CB   . VAL A 15  ? 0.53661 0.53774 0.53514 0.11472  0.06287  -0.00204 334 VAL A CB   
157  C  CG1  . VAL A 15  ? 0.51285 0.57415 0.53440 0.13037  0.06758  -0.00831 334 VAL A CG1  
158  C  CG2  . VAL A 15  ? 0.54611 0.55605 0.57537 0.09404  0.05431  -0.01223 334 VAL A CG2  
159  H  H    . VAL A 15  ? 0.60183 0.60183 0.60183 0.00000  -0.00000 0.00000  334 VAL A H    
160  H  HA   . VAL A 15  ? 0.63727 0.63727 0.63727 0.00000  -0.00000 -0.00000 334 VAL A HA   
161  H  HB   . VAL A 15  ? 0.64437 0.64437 0.64437 -0.00000 -0.00000 -0.00000 334 VAL A HB   
162  H  HG11 . VAL A 15  ? 0.64913 0.64913 0.64913 -0.00000 -0.00000 0.00000  334 VAL A HG11 
163  H  HG12 . VAL A 15  ? 0.64913 0.64913 0.64913 -0.00000 -0.00000 0.00000  334 VAL A HG12 
164  H  HG13 . VAL A 15  ? 0.64913 0.64913 0.64913 -0.00000 -0.00000 0.00000  334 VAL A HG13 
165  H  HG21 . VAL A 15  ? 0.67158 0.67158 0.67158 0.00000  -0.00000 0.00000  334 VAL A HG21 
166  H  HG22 . VAL A 15  ? 0.67158 0.67158 0.67158 0.00000  -0.00000 0.00000  334 VAL A HG22 
167  H  HG23 . VAL A 15  ? 0.67158 0.67158 0.67158 0.00000  -0.00000 0.00000  334 VAL A HG23 
168  N  N    . ASN A 16  ? 0.63821 0.62321 0.58988 0.10252  0.09502  0.06203  335 ASN A N    
169  C  CA   . ASN A 16  ? 0.61493 0.60812 0.53213 0.12408  0.10862  0.08170  335 ASN A CA   
170  C  C    . ASN A 16  ? 0.52027 0.57399 0.43981 0.15030  0.10950  0.05989  335 ASN A C    
171  O  O    . ASN A 16  ? 0.50855 0.60649 0.46538 0.14145  0.11678  0.04968  335 ASN A O    
172  C  CB   . ASN A 16  ? 0.62100 0.61229 0.54520 0.10036  0.12820  0.11838  335 ASN A CB   
173  C  CG   . ASN A 16  ? 0.95460 0.94146 0.83294 0.12184  0.14456  0.14816  335 ASN A CG   
174  O  OD1  . ASN A 16  ? 0.76757 0.78647 0.61398 0.15396  0.14570  0.13812  335 ASN A OD1  
175  N  ND2  . ASN A 16  ? 0.98257 0.92854 0.85697 0.10310  0.15536  0.18629  335 ASN A ND2  
176  H  H    . ASN A 16  ? 0.74109 0.74109 0.74109 0.00000  -0.00000 -0.00000 335 ASN A H    
177  H  HA   . ASN A 16  ? 0.70264 0.70264 0.70264 -0.00000 0.00000  -0.00000 335 ASN A HA   
178  H  HB2  . ASN A 16  ? 0.71197 0.71197 0.71197 0.00000  -0.00000 -0.00000 335 ASN A HB2  
179  H  HB3  . ASN A 16  ? 0.71197 0.71197 0.71197 0.00000  -0.00000 -0.00000 335 ASN A HB3  
180  H  HD21 . ASN A 16  ? 1.10780 1.10780 1.10780 0.00000  -0.00000 0.00000  335 ASN A HD21 
181  H  HD22 . ASN A 16  ? 1.10780 1.10780 1.10780 0.00000  -0.00000 0.00000  335 ASN A HD22 
182  N  N    . PHE A 17  ? 0.47061 0.52469 0.35307 0.18246  0.10029  0.05241  336 PHE A N    
183  C  CA   . PHE A 17  ? 0.45143 0.55548 0.33253 0.20618  0.09310  0.02462  336 PHE A CA   
184  C  C    . PHE A 17  ? 0.55323 0.69446 0.41650 0.21003  0.11489  0.03104  336 PHE A C    
185  O  O    . PHE A 17  ? 0.53023 0.71145 0.40483 0.22129  0.11353  0.00127  336 PHE A O    
186  C  CB   . PHE A 17  ? 0.49629 0.59335 0.34144 0.23737  0.07332  0.01991  336 PHE A CB   
187  C  CG   . PHE A 17  ? 0.46671 0.55071 0.34517 0.24240  0.05335  0.00150  336 PHE A CG   
188  C  CD1  . PHE A 17  ? 0.77079 0.87499 0.70368 0.22984  0.04855  -0.02419 336 PHE A CD1  
189  C  CD2  . PHE A 17  ? 0.57944 0.63290 0.43878 0.26165  0.04247  0.01415  336 PHE A CD2  
190  C  CE1  . PHE A 17  ? 0.69466 0.78516 0.65731 0.22317  0.03271  -0.03388 336 PHE A CE1  
191  C  CE2  . PHE A 17  ? 0.73425 0.77921 0.62826 0.26928  0.03030  0.00006  336 PHE A CE2  
192  C  CZ   . PHE A 17  ? 0.50252 0.56539 0.44574 0.24125  0.02557  -0.02288 336 PHE A CZ   
193  H  H    . PHE A 17  ? 0.53650 0.53650 0.53650 -0.00000 -0.00000 0.00000  336 PHE A H    
194  H  HA   . PHE A 17  ? 0.53293 0.53293 0.53293 -0.00000 -0.00000 0.00000  336 PHE A HA   
195  H  HB2  . PHE A 17  ? 0.57300 0.57300 0.57300 0.00000  -0.00000 -0.00000 336 PHE A HB2  
196  H  HB3  . PHE A 17  ? 0.57300 0.57300 0.57300 0.00000  -0.00000 -0.00000 336 PHE A HB3  
197  H  HD1  . PHE A 17  ? 0.94035 0.94035 0.94035 0.00000  0.00000  -0.00000 336 PHE A HD1  
198  H  HD2  . PHE A 17  ? 0.66102 0.66102 0.66102 -0.00000 -0.00000 0.00000  336 PHE A HD2  
199  H  HE1  . PHE A 17  ? 0.85542 0.85542 0.85542 0.00000  0.00000  0.00000  336 PHE A HE1  
200  H  HE2  . PHE A 17  ? 0.85726 0.85726 0.85726 0.00000  -0.00000 -0.00000 336 PHE A HE2  
201  H  HZ   . PHE A 17  ? 0.60603 0.60603 0.60603 0.00000  -0.00000 0.00000  336 PHE A HZ   
202  N  N    . GLU A 18  ? 0.67566 0.80315 0.51282 0.20220  0.13719  0.06919  337 GLU A N    
203  C  CA   . GLU A 18  ? 0.55691 0.72314 0.37793 0.20786  0.16611  0.07929  337 GLU A CA   
204  C  C    . GLU A 18  ? 0.88728 1.08384 0.77722 0.18535  0.18046  0.06999  337 GLU A C    
205  O  O    . GLU A 18  ? 0.64659 0.88380 0.54229 0.19946  0.19239  0.04650  337 GLU A O    
206  C  CB   . GLU A 18  ? 0.62392 0.76996 0.40741 0.20495  0.18919  0.13039  337 GLU A CB   
207  C  CG   . GLU A 18  ? 1.11299 1.29920 0.88843 0.20773  0.22768  0.14963  337 GLU A CG   
208  C  CD   . GLU A 18  ? 1.43140 1.59942 1.18594 0.19963  0.25414  0.20863  337 GLU A CD   
209  O  OE1  . GLU A 18  ? 1.45405 1.57173 1.20789 0.18762  0.24036  0.23258  337 GLU A OE1  
210  O  OE2  . GLU A 18  ? 1.44370 1.64186 1.19177 0.20303  0.28404  0.22679  337 GLU A OE2  
211  H  H    . GLU A 18  ? 0.79723 0.79723 0.79723 -0.00000 -0.00000 -0.00000 337 GLU A H    
212  H  HA   . GLU A 18  ? 0.66376 0.66376 0.66376 0.00000  0.00000  -0.00000 337 GLU A HA   
213  H  HB2  . GLU A 18  ? 0.71767 0.71767 0.71767 -0.00000 -0.00000 0.00000  337 GLU A HB2  
214  H  HB3  . GLU A 18  ? 0.71767 0.71767 0.71767 -0.00000 -0.00000 0.00000  337 GLU A HB3  
215  H  HG2  . GLU A 18  ? 1.32082 1.32082 1.32082 0.00000  -0.00000 -0.00000 337 GLU A HG2  
216  H  HG3  . GLU A 18  ? 1.32082 1.32082 1.32082 0.00000  -0.00000 -0.00000 337 GLU A HG3  
217  N  N    . ASP A 19  ? 0.73999 0.91551 0.67994 0.15245  0.17675  0.08598  338 ASP A N    
218  C  CA   . ASP A 19  ? 0.81589 1.02350 0.82736 0.12943  0.18594  0.08434  338 ASP A CA   
219  C  C    . ASP A 19  ? 0.49200 0.73341 0.53637 0.14256  0.17586  0.04190  338 ASP A C    
220  O  O    . ASP A 19  ? 0.56314 0.84162 0.65699 0.13709  0.19122  0.03840  338 ASP A O    
221  C  CB   . ASP A 19  ? 0.71359 0.88832 0.76427 0.09191  0.17007  0.10062  338 ASP A CB   
222  C  CG   . ASP A 19  ? 0.88437 1.02408 0.92006 0.07252  0.18056  0.14325  338 ASP A CG   
223  O  OD1  . ASP A 19  ? 0.96686 1.11301 0.96513 0.08936  0.20393  0.16611  338 ASP A OD1  
224  O  OD2  . ASP A 19  ? 0.88252 0.98637 0.94189 0.04016  0.16482  0.15414  338 ASP A OD2  
225  H  H    . ASP A 19  ? 0.93475 0.93475 0.93475 0.00000  -0.00000 -0.00000 338 ASP A H    
226  H  HA   . ASP A 19  ? 1.06727 1.06727 1.06727 -0.00000 -0.00000 0.00000  338 ASP A HA   
227  H  HB2  . ASP A 19  ? 0.94704 0.94704 0.94704 -0.00000 -0.00000 -0.00000 338 ASP A HB2  
228  H  HB3  . ASP A 19  ? 0.94704 0.94704 0.94704 -0.00000 -0.00000 -0.00000 338 ASP A HB3  
229  N  N    . ILE A 20  ? 0.52544 0.75297 0.55125 0.15873  0.14969  0.01158  339 ILE A N    
230  C  CA   . ILE A 20  ? 0.43135 0.67226 0.49397 0.15919  0.13091  -0.02624 339 ILE A CA   
231  C  C    . ILE A 20  ? 0.71029 0.95280 0.73225 0.17884  0.12370  -0.05101 339 ILE A C    
232  O  O    . ILE A 20  ? 0.44385 0.68127 0.48939 0.17479  0.10432  -0.07720 339 ILE A O    
233  C  CB   . ILE A 20  ? 0.41922 0.63760 0.50385 0.15103  0.10295  -0.03849 339 ILE A CB   
234  C  CG1  . ILE A 20  ? 0.69089 0.88741 0.72552 0.17324  0.08572  -0.04572 339 ILE A CG1  
235  C  CG2  . ILE A 20  ? 0.39116 0.60043 0.50001 0.13119  0.10667  -0.01484 339 ILE A CG2  
236  C  CD1  . ILE A 20  ? 0.52398 0.69754 0.58265 0.16300  0.06160  -0.05569 339 ILE A CD1  
237  H  H    . ILE A 20  ? 0.73244 0.73244 0.73244 -0.00000 -0.00000 -0.00000 339 ILE A H    
238  H  HA   . ILE A 20  ? 0.63960 0.63960 0.63960 -0.00000 -0.00000 -0.00000 339 ILE A HA   
239  H  HB   . ILE A 20  ? 0.62484 0.62484 0.62484 0.00000  -0.00000 -0.00000 339 ILE A HB   
240  H  HG12 . ILE A 20  ? 0.92210 0.92210 0.92210 -0.00000 -0.00000 0.00000  339 ILE A HG12 
241  H  HG13 . ILE A 20  ? 0.92210 0.92210 0.92210 -0.00000 -0.00000 0.00000  339 ILE A HG13 
242  H  HG21 . ILE A 20  ? 0.59721 0.59721 0.59721 0.00000  -0.00000 -0.00000 339 ILE A HG21 
243  H  HG22 . ILE A 20  ? 0.59721 0.59721 0.59721 0.00000  -0.00000 -0.00000 339 ILE A HG22 
244  H  HG23 . ILE A 20  ? 0.59721 0.59721 0.59721 0.00000  -0.00000 -0.00000 339 ILE A HG23 
245  H  HD11 . ILE A 20  ? 0.72224 0.72224 0.72224 -0.00000 -0.00000 -0.00000 339 ILE A HD11 
246  H  HD12 . ILE A 20  ? 0.72224 0.72224 0.72224 -0.00000 -0.00000 -0.00000 339 ILE A HD12 
247  H  HD13 . ILE A 20  ? 0.72224 0.72224 0.72224 -0.00000 -0.00000 -0.00000 339 ILE A HD13 
248  N  N    . GLY A 21  ? 0.46712 0.71530 0.42581 0.19943  0.13999  -0.03817 340 GLY A N    
249  C  CA   . GLY A 21  ? 0.60971 0.86461 0.52255 0.21936  0.13312  -0.06185 340 GLY A CA   
250  C  C    . GLY A 21  ? 0.60343 0.85113 0.48870 0.23660  0.09717  -0.08358 340 GLY A C    
251  O  O    . GLY A 21  ? 0.71992 0.97718 0.58352 0.24926  0.08286  -0.11147 340 GLY A O    
252  H  H    . GLY A 21  ? 0.64386 0.64386 0.64386 -0.00000 -0.00000 -0.00000 340 GLY A H    
253  H  HA2  . GLY A 21  ? 0.79932 0.79932 0.79932 -0.00000 -0.00000 -0.00000 340 GLY A HA2  
254  H  HA3  . GLY A 21  ? 0.79932 0.79932 0.79932 -0.00000 -0.00000 -0.00000 340 GLY A HA3  
255  N  N    . TRP A 22  ? 0.44860 0.68050 0.33631 0.23905  0.08230  -0.07216 341 TRP A N    
256  C  CA   . TRP A 22  ? 0.69556 0.92583 0.56589 0.25818  0.04910  -0.08833 341 TRP A CA   
257  C  C    . TRP A 22  ? 0.96880 1.19648 0.75705 0.29097  0.05001  -0.06957 341 TRP A C    
258  O  O    . TRP A 22  ? 0.70908 0.94114 0.47812 0.31218  0.02079  -0.08107 341 TRP A O    
259  C  CB   . TRP A 22  ? 0.53431 0.74448 0.45753 0.24229  0.03305  -0.08571 341 TRP A CB   
260  C  CG   . TRP A 22  ? 0.77803 0.98965 0.76647 0.21354  0.02085  -0.10495 341 TRP A CG   
261  C  CD1  . TRP A 22  ? 0.45277 0.67641 0.46531 0.20179  0.02757  -0.12030 341 TRP A CD1  
262  C  CD2  . TRP A 22  ? 0.39970 0.59436 0.43167 0.19427  0.00578  -0.10437 341 TRP A CD2  
263  N  NE1  . TRP A 22  ? 0.67034 0.88451 0.73669 0.17887  0.01638  -0.12630 341 TRP A NE1  
264  C  CE2  . TRP A 22  ? 0.46263 0.66008 0.53862 0.17263  0.00442  -0.11525 341 TRP A CE2  
265  C  CE3  . TRP A 22  ? 0.61856 0.79247 0.65314 0.19417  -0.00174 -0.09190 341 TRP A CE3  
266  C  CZ2  . TRP A 22  ? 0.43512 0.61727 0.54936 0.15215  -0.00270 -0.10944 341 TRP A CZ2  
267  C  CZ3  . TRP A 22  ? 0.49719 0.65818 0.57453 0.17123  -0.00683 -0.08983 341 TRP A CZ3  
268  C  CH2  . TRP A 22  ? 0.47609 0.64195 0.58884 0.15138  -0.00659 -0.09618 341 TRP A CH2  
269  H  H    . TRP A 22  ? 0.58332 0.58332 0.58332 0.00000  -0.00000 -0.00000 341 TRP A H    
270  H  HA   . TRP A 22  ? 0.87548 0.87548 0.87548 -0.00000 -0.00000 0.00000  341 TRP A HA   
271  H  HB2  . TRP A 22  ? 0.69510 0.69510 0.69510 -0.00000 -0.00000 0.00000  341 TRP A HB2  
272  H  HB3  . TRP A 22  ? 0.69510 0.69510 0.69510 -0.00000 -0.00000 0.00000  341 TRP A HB3  
273  H  HD1  . TRP A 22  ? 0.63837 0.63837 0.63837 -0.00000 0.00000  -0.00000 341 TRP A HD1  
274  H  HE1  . TRP A 22  ? 0.91718 0.91718 0.91718 -0.00000 0.00000  -0.00000 341 TRP A HE1  
275  H  HE3  . TRP A 22  ? 0.82624 0.82624 0.82624 0.00000  0.00000  0.00000  341 TRP A HE3  
276  H  HZ2  . TRP A 22  ? 0.64127 0.64127 0.64127 0.00000  0.00000  0.00000  341 TRP A HZ2  
277  H  HZ3  . TRP A 22  ? 0.69253 0.69253 0.69253 0.00000  0.00000  0.00000  341 TRP A HZ3  
278  H  HH2  . TRP A 22  ? 0.68332 0.68332 0.68332 -0.00000 0.00000  0.00000  341 TRP A HH2  
279  N  N    . ASP A 23  ? 0.95224 1.17178 0.69503 0.29130  0.08103  -0.03481 342 ASP A N    
280  C  CA   . ASP A 23  ? 1.14813 1.35559 0.81580 0.31019  0.07886  -0.00359 342 ASP A CA   
281  C  C    . ASP A 23  ? 0.93147 1.16513 0.54258 0.33274  0.06163  -0.02606 342 ASP A C    
282  O  O    . ASP A 23  ? 0.99393 1.22331 0.54692 0.35181  0.04688  -0.00578 342 ASP A O    
283  C  CB   . ASP A 23  ? 0.96713 1.15927 0.61323 0.29826  0.11697  0.04413  342 ASP A CB   
284  C  CG   . ASP A 23  ? 1.32282 1.54272 0.97848 0.28893  0.14760  0.03777  342 ASP A CG   
285  O  OD1  . ASP A 23  ? 1.00684 1.24510 0.70626 0.28155  0.13870  -0.00282 342 ASP A OD1  
286  O  OD2  . ASP A 23  ? 1.31216 1.52951 0.94527 0.28396  0.17774  0.07668  342 ASP A OD2  
287  H  H    . ASP A 23  ? 1.12819 1.12819 1.12819 -0.00000 -0.00000 -0.00000 342 ASP A H    
288  H  HA   . ASP A 23  ? 1.32838 1.32838 1.32838 -0.00000 0.00000  0.00000  342 ASP A HA   
289  H  HB2  . ASP A 23  ? 1.09642 1.09642 1.09642 -0.00000 -0.00000 0.00000  342 ASP A HB2  
290  H  HB3  . ASP A 23  ? 1.09642 1.09642 1.09642 -0.00000 -0.00000 0.00000  342 ASP A HB3  
291  N  N    . SER A 24  ? 1.09298 1.34637 0.72990 0.32511  0.05916  -0.06446 343 SER A N    
292  C  CA   . SER A 24  ? 1.58650 1.85557 1.17534 0.34144  0.03829  -0.09101 343 SER A CA   
293  C  C    . SER A 24  ? 0.90309 1.17982 0.48839 0.35853  -0.00975 -0.11114 343 SER A C    
294  O  O    . SER A 24  ? 1.18176 1.46849 0.71685 0.37312  -0.03282 -0.12317 343 SER A O    
295  C  CB   . SER A 24  ? 0.96412 1.24315 0.58478 0.32919  0.04657  -0.12957 343 SER A CB   
296  O  OG   . SER A 24  ? 1.33674 1.61513 1.04460 0.30988  0.03864  -0.14940 343 SER A OG   
297  H  H    . SER A 24  ? 1.26827 1.26827 1.26827 0.00000  0.00000  -0.00000 343 SER A H    
298  H  HA   . SER A 24  ? 1.84753 1.84753 1.84753 -0.00000 -0.00000 -0.00000 343 SER A HA   
299  H  HB2  . SER A 24  ? 1.11738 1.11738 1.11738 -0.00000 -0.00000 0.00000  343 SER A HB2  
300  H  HB3  . SER A 24  ? 1.11738 1.11738 1.11738 -0.00000 -0.00000 0.00000  343 SER A HB3  
301  H  HG   . SER A 24  ? 1.59916 1.59916 1.59916 -0.00000 -0.00000 -0.00000 343 SER A HG   
302  N  N    . TRP A 25  ? 1.01517 1.28772 0.65380 0.35658  -0.02510 -0.11385 344 TRP A N    
303  C  CA   . TRP A 25  ? 0.98321 1.26734 0.63018 0.37282  -0.07142 -0.12987 344 TRP A CA   
304  C  C    . TRP A 25  ? 1.05554 1.31710 0.73613 0.37285  -0.07674 -0.09194 344 TRP A C    
305  O  O    . TRP A 25  ? 1.13176 1.40311 0.83777 0.38424  -0.11316 -0.09448 344 TRP A O    
306  C  CB   . TRP A 25  ? 0.80525 1.10808 0.52622 0.36419  -0.09432 -0.18073 344 TRP A CB   
307  C  CG   . TRP A 25  ? 0.95690 1.25049 0.76936 0.34503  -0.08004 -0.17951 344 TRP A CG   
308  C  CD1  . TRP A 25  ? 1.45629 1.73250 1.30575 0.31235  -0.04736 -0.16446 344 TRP A CD1  
309  C  CD2  . TRP A 25  ? 0.79412 1.08553 0.68110 0.33702  -0.10268 -0.17654 344 TRP A CD2  
310  N  NE1  . TRP A 25  ? 0.95013 1.20889 0.87137 0.28320  -0.04944 -0.15551 344 TRP A NE1  
311  C  CE2  . TRP A 25  ? 0.87454 1.13582 0.81429 0.29159  -0.07802 -0.16072 344 TRP A CE2  
312  C  CE3  . TRP A 25  ? 1.34259 1.63652 1.24730 0.34116  -0.13547 -0.17534 344 TRP A CE3  
313  C  CZ2  . TRP A 25  ? 1.25075 1.48823 1.24657 0.26178  -0.07993 -0.14907 344 TRP A CZ2  
314  C  CZ3  . TRP A 25  ? 0.89629 1.16300 0.86731 0.30622  -0.13003 -0.16262 344 TRP A CZ3  
315  C  CH2  . TRP A 25  ? 1.27068 1.51118 1.28052 0.27032  -0.10214 -0.15012 344 TRP A CH2  
316  H  H    . TRP A 25  ? 1.18325 1.18325 1.18325 -0.00000 0.00000  0.00000  344 TRP A H    
317  H  HA   . TRP A 25  ? 1.15286 1.15286 1.15286 -0.00000 -0.00000 0.00000  344 TRP A HA   
318  H  HB2  . TRP A 25  ? 0.97639 0.97639 0.97639 -0.00000 0.00000  0.00000  344 TRP A HB2  
319  H  HB3  . TRP A 25  ? 0.97639 0.97639 0.97639 -0.00000 0.00000  0.00000  344 TRP A HB3  
320  H  HD1  . TRP A 25  ? 1.79839 1.79839 1.79839 -0.00000 -0.00000 0.00000  344 TRP A HD1  
321  H  HE1  . TRP A 25  ? 1.21272 1.21272 1.21272 0.00000  -0.00000 0.00000  344 TRP A HE1  
322  H  HE3  . TRP A 25  ? 1.69114 1.69114 1.69114 -0.00000 -0.00000 0.00000  344 TRP A HE3  
323  H  HZ2  . TRP A 25  ? 1.59479 1.59479 1.59479 -0.00000 -0.00000 -0.00000 344 TRP A HZ2  
324  H  HZ3  . TRP A 25  ? 1.17121 1.17121 1.17121 0.00000  0.00000  0.00000  344 TRP A HZ3  
325  H  HH2  . TRP A 25  ? 1.62552 1.62552 1.62552 -0.00000 0.00000  -0.00000 344 TRP A HH2  
326  N  N    . ILE A 26  ? 0.71470 0.94449 0.40309 0.35937  -0.04205 -0.05671 345 ILE A N    
327  C  CA   . ILE A 26  ? 0.87743 1.07376 0.59480 0.35888  -0.04228 -0.02358 345 ILE A CA   
328  C  C    . ILE A 26  ? 0.87242 1.04057 0.52714 0.36566  -0.02299 0.02555  345 ILE A C    
329  O  O    . ILE A 26  ? 1.08685 1.24089 0.72309 0.35033  0.01084  0.04302  345 ILE A O    
330  C  CB   . ILE A 26  ? 0.61547 0.78938 0.40091 0.33415  -0.02257 -0.02832 345 ILE A CB   
331  C  CG1  . ILE A 26  ? 0.76442 0.96289 0.62068 0.33273  -0.04496 -0.06417 345 ILE A CG1  
332  C  CG2  . ILE A 26  ? 0.84289 0.96755 0.63143 0.33247  -0.01087 0.00814  345 ILE A CG2  
333  C  CD1  . ILE A 26  ? 0.67868 0.85096 0.58922 0.29042  -0.02757 -0.06536 345 ILE A CD1  
334  H  H    . ILE A 26  ? 0.82548 0.82548 0.82548 -0.00000 -0.00000 -0.00000 345 ILE A H    
335  H  HA   . ILE A 26  ? 1.01897 1.01897 1.01897 -0.00000 0.00000  -0.00000 345 ILE A HA   
336  H  HB   . ILE A 26  ? 0.72287 0.72287 0.72287 -0.00000 -0.00000 -0.00000 345 ILE A HB   
337  H  HG12 . ILE A 26  ? 0.93976 0.93976 0.93976 -0.00000 -0.00000 -0.00000 345 ILE A HG12 
338  H  HG13 . ILE A 26  ? 0.93976 0.93976 0.93976 -0.00000 -0.00000 -0.00000 345 ILE A HG13 
339  H  HG21 . ILE A 26  ? 0.97731 0.97731 0.97731 0.00000  0.00000  -0.00000 345 ILE A HG21 
340  H  HG22 . ILE A 26  ? 0.97731 0.97731 0.97731 0.00000  0.00000  -0.00000 345 ILE A HG22 
341  H  HG23 . ILE A 26  ? 0.97731 0.97731 0.97731 0.00000  0.00000  -0.00000 345 ILE A HG23 
342  H  HD11 . ILE A 26  ? 0.84812 0.84812 0.84812 0.00000  -0.00000 0.00000  345 ILE A HD11 
343  H  HD12 . ILE A 26  ? 0.84812 0.84812 0.84812 0.00000  -0.00000 0.00000  345 ILE A HD12 
344  H  HD13 . ILE A 26  ? 0.84812 0.84812 0.84812 0.00000  -0.00000 0.00000  345 ILE A HD13 
345  N  N    . ILE A 27  ? 0.91703 1.08042 0.54593 0.38884  -0.04512 0.05125  346 ILE A N    
346  C  CA   . ILE A 27  ? 0.85306 0.98622 0.43036 0.39758  -0.02852 0.10433  346 ILE A CA   
347  C  C    . ILE A 27  ? 1.03051 1.10656 0.64929 0.38203  -0.00458 0.12944  346 ILE A C    
348  O  O    . ILE A 27  ? 0.81759 0.86148 0.41524 0.36904  0.02499  0.16194  346 ILE A O    
349  C  CB   . ILE A 27  ? 0.86233 1.00629 0.42504 0.41490  -0.05659 0.11858  346 ILE A CB   
350  C  CG1  . ILE A 27  ? 0.98357 1.17727 0.52148 0.42075  -0.08589 0.08053  346 ILE A CG1  
351  C  CG2  . ILE A 27  ? 1.20033 1.31652 0.71975 0.41738  -0.03651 0.17104  346 ILE A CG2  
352  C  CD1  . ILE A 27  ? 1.12305 1.33218 0.67384 0.43113  -0.12383 0.08435  346 ILE A CD1  
353  H  H    . ILE A 27  ? 1.01792 1.01792 1.01792 -0.00000 -0.00000 -0.00000 346 ILE A H    
354  H  HA   . ILE A 27  ? 0.90842 0.90842 0.90842 0.00000  -0.00000 0.00000  346 ILE A HA   
355  H  HB   . ILE A 27  ? 0.91462 0.91462 0.91462 -0.00000 -0.00000 0.00000  346 ILE A HB   
356  H  HG12 . ILE A 27  ? 1.07350 1.07350 1.07350 -0.00000 0.00000  0.00000  346 ILE A HG12 
357  H  HG13 . ILE A 27  ? 1.07350 1.07350 1.07350 -0.00000 0.00000  0.00000  346 ILE A HG13 
358  H  HG21 . ILE A 27  ? 1.29521 1.29521 1.29521 0.00000  -0.00000 0.00000  346 ILE A HG21 
359  H  HG22 . ILE A 27  ? 1.29521 1.29521 1.29521 0.00000  -0.00000 0.00000  346 ILE A HG22 
360  H  HG23 . ILE A 27  ? 1.29521 1.29521 1.29521 0.00000  -0.00000 0.00000  346 ILE A HG23 
361  H  HD11 . ILE A 27  ? 1.25220 1.25220 1.25220 -0.00000 -0.00000 -0.00000 346 ILE A HD11 
362  H  HD12 . ILE A 27  ? 1.25220 1.25220 1.25220 -0.00000 -0.00000 -0.00000 346 ILE A HD12 
363  H  HD13 . ILE A 27  ? 1.25220 1.25220 1.25220 -0.00000 -0.00000 -0.00000 346 ILE A HD13 
364  N  N    . ALA A 28  ? 0.73278 0.79401 0.41086 0.38303  -0.01651 0.11467  347 ALA A N    
365  C  CA   . ALA A 28  ? 0.76367 0.76316 0.46903 0.37463  0.00254  0.13521  347 ALA A CA   
366  C  C    . ALA A 28  ? 0.83639 0.83251 0.60491 0.36644  -0.00101 0.10144  347 ALA A C    
367  O  O    . ALA A 28  ? 0.68903 0.72669 0.49234 0.36568  -0.02206 0.07271  347 ALA A O    
368  C  CB   . ALA A 28  ? 0.79036 0.76193 0.48839 0.39143  -0.00234 0.17011  347 ALA A CB   
369  H  H    . ALA A 28  ? 0.77221 0.77221 0.77221 0.00000  -0.00000 -0.00000 347 ALA A H    
370  H  HA   . ALA A 28  ? 0.79892 0.79892 0.79892 -0.00000 0.00000  0.00000  347 ALA A HA   
371  H  HB1  . ALA A 28  ? 0.81343 0.81343 0.81343 -0.00000 -0.00000 -0.00000 347 ALA A HB1  
372  H  HB2  . ALA A 28  ? 0.81343 0.81343 0.81343 -0.00000 -0.00000 -0.00000 347 ALA A HB2  
373  H  HB3  . ALA A 28  ? 0.81343 0.81343 0.81343 -0.00000 -0.00000 -0.00000 347 ALA A HB3  
374  N  N    . PRO A 29  ? 0.81284 0.75856 0.59913 0.34538  0.02107  0.10122  348 PRO A N    
375  C  CA   . PRO A 29  ? 0.68827 0.57871 0.44892 0.32473  0.04546  0.12777  348 PRO A CA   
376  C  C    . PRO A 29  ? 0.86223 0.77809 0.61437 0.29577  0.05830  0.12167  348 PRO A C    
377  O  O    . PRO A 29  ? 0.75264 0.72119 0.51988 0.29207  0.05094  0.09258  348 PRO A O    
378  C  CB   . PRO A 29  ? 0.67838 0.51145 0.46641 0.31417  0.05532  0.11626  348 PRO A CB   
379  C  CG   . PRO A 29  ? 0.67069 0.54726 0.49946 0.31322  0.04461  0.07773  348 PRO A CG   
380  C  CD   . PRO A 29  ? 0.62387 0.56552 0.46128 0.32897  0.02147  0.07067  348 PRO A CD   
381  H  HA   . PRO A 29  ? 0.68351 0.68351 0.68351 0.00000  -0.00000 0.00000  348 PRO A HA   
382  H  HB2  . PRO A 29  ? 0.65965 0.65965 0.65965 -0.00000 -0.00000 0.00000  348 PRO A HB2  
383  H  HB3  . PRO A 29  ? 0.65965 0.65965 0.65965 -0.00000 -0.00000 0.00000  348 PRO A HB3  
384  H  HG2  . PRO A 29  ? 0.68753 0.68753 0.68753 -0.00000 -0.00000 0.00000  348 PRO A HG2  
385  H  HG3  . PRO A 29  ? 0.68753 0.68753 0.68753 -0.00000 -0.00000 0.00000  348 PRO A HG3  
386  H  HD2  . PRO A 29  ? 0.66084 0.66084 0.66084 0.00000  -0.00000 0.00000  348 PRO A HD2  
387  H  HD3  . PRO A 29  ? 0.66084 0.66084 0.66084 0.00000  -0.00000 0.00000  348 PRO A HD3  
388  N  N    . LYS A 30  ? 0.75017 0.62938 0.48575 0.27513  0.07863  0.15055  349 LYS A N    
389  C  CA   . LYS A 30  ? 0.69732 0.60457 0.43728 0.24797  0.09407  0.14996  349 LYS A CA   
390  C  C    . LYS A 30  ? 0.81051 0.71400 0.59560 0.21776  0.09420  0.12111  349 LYS A C    
391  O  O    . LYS A 30  ? 0.68555 0.63614 0.49224 0.20493  0.09761  0.10394  349 LYS A O    
392  C  CB   . LYS A 30  ? 0.75434 0.62903 0.47334 0.23428  0.11580  0.19660  349 LYS A CB   
393  C  CG   . LYS A 30  ? 1.54986 1.34297 1.27902 0.22002  0.11934  0.21510  349 LYS A CG   
394  C  CD   . LYS A 30  ? 1.73139 1.49454 1.45120 0.20326  0.14022  0.26448  349 LYS A CD   
395  C  CE   . LYS A 30  ? 1.70094 1.37308 1.43282 0.18795  0.14132  0.27890  349 LYS A CE   
396  N  NZ   . LYS A 30  ? 1.67085 1.31278 1.43360 0.15543  0.13285  0.24224  349 LYS A NZ   
397  H  H    . LYS A 30  ? 0.74669 0.74669 0.74669 0.00000  -0.00000 0.00000  349 LYS A H    
398  H  HA   . LYS A 30  ? 0.69624 0.69624 0.69624 -0.00000 -0.00000 0.00000  349 LYS A HA   
399  H  HB2  . LYS A 30  ? 0.73984 0.73984 0.73984 -0.00000 -0.00000 0.00000  349 LYS A HB2  
400  H  HB3  . LYS A 30  ? 0.73984 0.73984 0.73984 -0.00000 -0.00000 0.00000  349 LYS A HB3  
401  H  HG2  . LYS A 30  ? 1.66931 1.66931 1.66931 -0.00000 -0.00000 -0.00000 349 LYS A HG2  
402  H  HG3  . LYS A 30  ? 1.66931 1.66931 1.66931 -0.00000 -0.00000 -0.00000 349 LYS A HG3  
403  H  HD2  . LYS A 30  ? 1.87142 1.87142 1.87142 -0.00000 -0.00000 0.00000  349 LYS A HD2  
404  H  HD3  . LYS A 30  ? 1.87142 1.87142 1.87142 -0.00000 -0.00000 0.00000  349 LYS A HD3  
405  H  HE2  . LYS A 30  ? 1.80331 1.80331 1.80331 0.00000  -0.00000 -0.00000 349 LYS A HE2  
406  H  HE3  . LYS A 30  ? 1.80331 1.80331 1.80331 0.00000  -0.00000 -0.00000 349 LYS A HE3  
407  H  HZ1  . LYS A 30  ? 1.76746 1.76746 1.76746 -0.00000 -0.00000 0.00000  349 LYS A HZ1  
408  H  HZ2  . LYS A 30  ? 1.76746 1.76746 1.76746 -0.00000 -0.00000 0.00000  349 LYS A HZ2  
409  H  HZ3  . LYS A 30  ? 1.76746 1.76746 1.76746 -0.00000 -0.00000 0.00000  349 LYS A HZ3  
410  N  N    . GLU A 31  ? 0.73600 0.58279 0.53299 0.20806  0.09096  0.11596  350 GLU A N    
411  C  CA   . GLU A 31  ? 0.59655 0.43325 0.42467 0.18015  0.08808  0.09122  350 GLU A CA   
412  C  C    . GLU A 31  ? 0.75152 0.56142 0.58422 0.19710  0.07882  0.06844  350 GLU A C    
413  O  O    . GLU A 31  ? 0.69927 0.48217 0.51597 0.22558  0.07772  0.07750  350 GLU A O    
414  C  CB   . GLU A 31  ? 0.64041 0.42517 0.47022 0.14281  0.09624  0.10949  350 GLU A CB   
415  C  CG   . GLU A 31  ? 1.45332 1.26622 1.28999 0.12461  0.11052  0.13957  350 GLU A CG   
416  C  CD   . GLU A 31  ? 1.71818 1.47538 1.56506 0.08724  0.11542  0.16368  350 GLU A CD   
417  O  OE1  . GLU A 31  ? 1.87110 1.55782 1.70774 0.07830  0.10662  0.15442  350 GLU A OE1  
418  O  OE2  . GLU A 31  ? 1.49015 1.27300 1.35728 0.06683  0.12870  0.19143  350 GLU A OE2  
419  H  H    . GLU A 31  ? 0.74128 0.74128 0.74128 -0.00000 -0.00000 0.00000  350 GLU A H    
420  H  HA   . GLU A 31  ? 0.57894 0.57894 0.57894 0.00000  0.00000  0.00000  350 GLU A HA   
421  H  HB2  . GLU A 31  ? 0.61489 0.61489 0.61489 -0.00000 0.00000  -0.00000 350 GLU A HB2  
422  H  HB3  . GLU A 31  ? 0.61489 0.61489 0.61489 -0.00000 0.00000  -0.00000 350 GLU A HB3  
423  H  HG2  . GLU A 31  ? 1.60438 1.60438 1.60438 0.00000  -0.00000 -0.00000 350 GLU A HG2  
424  H  HG3  . GLU A 31  ? 1.60438 1.60438 1.60438 0.00000  -0.00000 -0.00000 350 GLU A HG3  
425  N  N    . TYR A 32  ? 0.66652 0.48668 0.52387 0.18109  0.07410  0.04245  351 TYR A N    
426  C  CA   . TYR A 32  ? 0.59673 0.38962 0.45611 0.19554  0.07183  0.02342  351 TYR A CA   
427  C  C    . TYR A 32  ? 0.56580 0.34799 0.43387 0.16524  0.06994  0.00531  351 TYR A C    
428  O  O    . TYR A 32  ? 0.59463 0.41107 0.48322 0.13775  0.06586  0.00534  351 TYR A O    
429  C  CB   . TYR A 32  ? 0.63651 0.48410 0.52290 0.22803  0.06374  0.01076  351 TYR A CB   
430  C  CG   . TYR A 32  ? 0.46444 0.37250 0.39379 0.21340  0.05558  -0.01104 351 TYR A CG   
431  C  CD1  . TYR A 32  ? 0.53021 0.48839 0.47699 0.20561  0.05288  -0.01434 351 TYR A CD1  
432  C  CD2  . TYR A 32  ? 0.46432 0.38348 0.42260 0.19827  0.05091  -0.02431 351 TYR A CD2  
433  C  CE1  . TYR A 32  ? 0.55593 0.56265 0.54901 0.18673  0.04474  -0.03116 351 TYR A CE1  
434  C  CE2  . TYR A 32  ? 0.55919 0.52714 0.56181 0.17862  0.04391  -0.03612 351 TYR A CE2  
435  C  CZ   . TYR A 32  ? 0.52401 0.53117 0.54497 0.17134  0.03976  -0.03917 351 TYR A CZ   
436  O  OH   . TYR A 32  ? 0.54327 0.58555 0.60906 0.14995  0.03539  -0.04585 351 TYR A OH   
437  H  H    . TYR A 32  ? 0.67140 0.67140 0.67140 0.00000  0.00000  -0.00000 351 TYR A H    
438  H  HA   . TYR A 32  ? 0.57755 0.57755 0.57755 0.00000  -0.00000 -0.00000 351 TYR A HA   
439  H  HB2  . TYR A 32  ? 0.65798 0.65798 0.65798 -0.00000 -0.00000 -0.00000 351 TYR A HB2  
440  H  HB3  . TYR A 32  ? 0.65798 0.65798 0.65798 -0.00000 -0.00000 -0.00000 351 TYR A HB3  
441  H  HD1  . TYR A 32  ? 0.59880 0.59880 0.59880 0.00000  -0.00000 -0.00000 351 TYR A HD1  
442  H  HD2  . TYR A 32  ? 0.50873 0.50873 0.50873 -0.00000 -0.00000 0.00000  351 TYR A HD2  
443  H  HE1  . TYR A 32  ? 0.66761 0.66761 0.66761 -0.00000 -0.00000 -0.00000 351 TYR A HE1  
444  H  HE2  . TYR A 32  ? 0.65983 0.65983 0.65983 -0.00000 -0.00000 -0.00000 351 TYR A HE2  
445  H  HH   . TYR A 32  ? 0.69572 0.69572 0.69572 -0.00000 -0.00000 -0.00000 351 TYR A HH   
446  N  N    . GLU A 33  ? 0.76036 0.49443 0.61072 0.17233  0.07385  -0.00839 352 GLU A N    
447  C  CA   . GLU A 33  ? 0.66066 0.37785 0.50369 0.14678  0.07061  -0.02598 352 GLU A CA   
448  C  C    . GLU A 33  ? 0.67621 0.45616 0.55581 0.15939  0.06882  -0.03982 352 GLU A C    
449  O  O    . GLU A 33  ? 0.64816 0.44425 0.54237 0.17632  0.07162  -0.04381 352 GLU A O    
450  C  CB   . GLU A 33  ? 0.63573 0.26357 0.42994 0.14989  0.07891  -0.03650 352 GLU A CB   
451  C  CG   . GLU A 33  ? 0.86292 0.46743 0.63212 0.12430  0.07329  -0.05706 352 GLU A CG   
452  C  CD   . GLU A 33  ? 0.98893 0.59396 0.76027 0.07594  0.05481  -0.05139 352 GLU A CD   
453  O  OE1  . GLU A 33  ? 0.92909 0.49962 0.69600 0.05908  0.05208  -0.03617 352 GLU A OE1  
454  O  OE2  . GLU A 33  ? 0.95294 0.59591 0.73672 0.05481  0.04293  -0.05797 352 GLU A OE2  
455  H  H    . GLU A 33  ? 0.74677 0.74677 0.74677 -0.00000 -0.00000 -0.00000 352 GLU A H    
456  H  HA   . GLU A 33  ? 0.61745 0.61745 0.61745 0.00000  -0.00000 0.00000  352 GLU A HA   
457  H  HB2  . GLU A 33  ? 0.52885 0.52885 0.52885 -0.00000 -0.00000 -0.00000 352 GLU A HB2  
458  H  HB3  . GLU A 33  ? 0.52885 0.52885 0.52885 -0.00000 -0.00000 -0.00000 352 GLU A HB3  
459  H  HG2  . GLU A 33  ? 0.78556 0.78556 0.78556 -0.00000 -0.00000 -0.00000 352 GLU A HG2  
460  H  HG3  . GLU A 33  ? 0.78556 0.78556 0.78556 -0.00000 -0.00000 -0.00000 352 GLU A HG3  
461  N  N    . ALA A 34  ? 0.58841 0.42294 0.50183 0.13658  0.05944  -0.04054 353 ALA A N    
462  C  CA   . ALA A 34  ? 0.36962 0.26313 0.32688 0.14510  0.05731  -0.04993 353 ALA A CA   
463  C  C    . ALA A 34  ? 0.46328 0.34395 0.40771 0.12740  0.05593  -0.05749 353 ALA A C    
464  O  O    . ALA A 34  ? 0.45275 0.36996 0.42690 0.13981  0.05927  -0.06172 353 ALA A O    
465  C  CB   . ALA A 34  ? 0.35166 0.31319 0.35921 0.13542  0.04984  -0.04619 353 ALA A CB   
466  H  H    . ALA A 34  ? 0.60584 0.60584 0.60584 0.00000  -0.00000 -0.00000 353 ALA A H    
467  H  HA   . ALA A 34  ? 0.38100 0.38100 0.38100 -0.00000 -0.00000 -0.00000 353 ALA A HA   
468  H  HB1  . ALA A 34  ? 0.41019 0.41019 0.41019 -0.00000 -0.00000 -0.00000 353 ALA A HB1  
469  H  HB2  . ALA A 34  ? 0.41019 0.41019 0.41019 -0.00000 -0.00000 -0.00000 353 ALA A HB2  
470  H  HB3  . ALA A 34  ? 0.41019 0.41019 0.41019 -0.00000 -0.00000 -0.00000 353 ALA A HB3  
471  N  N    . TYR A 35  ? 0.46228 0.29574 0.36613 0.09693  0.04892  -0.05702 354 TYR A N    
472  C  CA   . TYR A 35  ? 0.45299 0.27418 0.33330 0.07496  0.04115  -0.06391 354 TYR A CA   
473  C  C    . TYR A 35  ? 0.43907 0.33621 0.37790 0.06008  0.03056  -0.05468 354 TYR A C    
474  O  O    . TYR A 35  ? 0.39661 0.35052 0.39388 0.06986  0.03226  -0.04817 354 TYR A O    
475  C  CB   . TYR A 35  ? 0.58147 0.36956 0.42295 0.10150  0.05723  -0.07764 354 TYR A CB   
476  C  CG   . TYR A 35  ? 0.63109 0.33762 0.41653 0.12013  0.07135  -0.08792 354 TYR A CG   
477  C  CD1  . TYR A 35  ? 0.66068 0.28711 0.38060 0.09678  0.06472  -0.09969 354 TYR A CD1  
478  C  CD2  . TYR A 35  ? 0.80735 0.53483 0.62410 0.15072  0.08384  -0.08073 354 TYR A CD2  
479  C  CE1  . TYR A 35  ? 0.77049 0.32417 0.45001 0.11312  0.07800  -0.10779 354 TYR A CE1  
480  C  CE2  . TYR A 35  ? 0.61296 0.29190 0.40339 0.15960  0.09171  -0.08098 354 TYR A CE2  
481  C  CZ   . TYR A 35  ? 0.88411 0.47647 0.60797 0.14435  0.09165  -0.09428 354 TYR A CZ   
482  O  OH   . TYR A 35  ? 1.09223 0.63657 0.79704 0.15542  0.10104  -0.09470 354 TYR A OH   
483  H  H    . TYR A 35  ? 0.45023 0.45023 0.45023 -0.00000 -0.00000 0.00000  354 TYR A H    
484  H  HA   . TYR A 35  ? 0.42134 0.42134 0.42134 -0.00000 -0.00000 0.00000  354 TYR A HA   
485  H  HB2  . TYR A 35  ? 0.55016 0.55016 0.55016 -0.00000 -0.00000 0.00000  354 TYR A HB2  
486  H  HB3  . TYR A 35  ? 0.55016 0.55016 0.55016 -0.00000 -0.00000 0.00000  354 TYR A HB3  
487  H  HD1  . TYR A 35  ? 0.53095 0.53095 0.53095 0.00000  0.00000  0.00000  354 TYR A HD1  
488  H  HD2  . TYR A 35  ? 0.78708 0.78708 0.78708 -0.00000 -0.00000 0.00000  354 TYR A HD2  
489  H  HE1  . TYR A 35  ? 0.61844 0.61844 0.61844 0.00000  -0.00000 0.00000  354 TYR A HE1  
490  H  HE2  . TYR A 35  ? 0.52045 0.52045 0.52045 -0.00000 -0.00000 0.00000  354 TYR A HE2  
491  H  HH   . TYR A 35  ? 1.01091 1.01091 1.01091 0.00000  -0.00000 0.00000  354 TYR A HH   
492  N  N    . GLU A 36  ? 0.46869 0.36310 0.38924 0.03545  0.01801  -0.05403 355 GLU A N    
493  C  CA   . GLU A 36  ? 0.52001 0.48421 0.49883 0.02263  0.00789  -0.04046 355 GLU A CA   
494  C  C    . GLU A 36  ? 0.45888 0.40983 0.39514 0.01102  -0.00010 -0.04139 355 GLU A C    
495  O  O    . GLU A 36  ? 0.66835 0.55265 0.52553 0.00209  -0.00388 -0.05515 355 GLU A O    
496  C  CB   . GLU A 36  ? 0.45829 0.45326 0.48019 -0.00843 -0.00781 -0.02491 355 GLU A CB   
497  C  CG   . GLU A 36  ? 0.56718 0.51546 0.54468 -0.04707 -0.02870 -0.02244 355 GLU A CG   
498  C  CD   . GLU A 36  ? 0.55384 0.54784 0.59226 -0.07872 -0.04407 0.00012  355 GLU A CD   
499  O  OE1  . GLU A 36  ? 0.76316 0.82485 0.87384 -0.06900 -0.03672 0.01222  355 GLU A OE1  
500  O  OE2  . GLU A 36  ? 0.96356 0.92493 0.98239 -0.11315 -0.06294 0.00583  355 GLU A OE2  
501  H  H    . GLU A 36  ? 0.48898 0.48898 0.48898 -0.00000 -0.00000 -0.00000 355 GLU A H    
502  H  HA   . GLU A 36  ? 0.60179 0.60179 0.60179 0.00000  -0.00000 -0.00000 355 GLU A HA   
503  H  HB2  . GLU A 36  ? 0.55727 0.55727 0.55727 -0.00000 -0.00000 0.00000  355 GLU A HB2  
504  H  HB3  . GLU A 36  ? 0.55727 0.55727 0.55727 -0.00000 -0.00000 0.00000  355 GLU A HB3  
505  H  HG2  . GLU A 36  ? 0.65150 0.65150 0.65150 -0.00000 0.00000  0.00000  355 GLU A HG2  
506  H  HG3  . GLU A 36  ? 0.65150 0.65150 0.65150 -0.00000 0.00000  0.00000  355 GLU A HG3  
507  N  N    . CYS A 37  ? 0.42061 0.43291 0.40716 0.01186  -0.00248 -0.02670 356 CYS A N    
508  C  CA   . CYS A 37  ? 0.37541 0.38777 0.32429 0.00145  -0.01069 -0.02032 356 CYS A CA   
509  C  C    . CYS A 37  ? 0.52357 0.56545 0.49466 -0.03860 -0.04202 -0.00184 356 CYS A C    
510  O  O    . CYS A 37  ? 0.45040 0.55431 0.50832 -0.04401 -0.04669 0.01692  356 CYS A O    
511  C  CB   . CYS A 37  ? 0.32918 0.39119 0.32367 0.02910  0.00790  -0.00843 356 CYS A CB   
512  S  SG   . CYS A 37  ? 0.40895 0.44160 0.38583 0.07485  0.04253  -0.02525 356 CYS A SG   
513  H  H    . CYS A 37  ? 0.50484 0.50484 0.50484 -0.00000 -0.00000 0.00000  356 CYS A H    
514  H  HA   . CYS A 37  ? 0.43215 0.43215 0.43215 0.00000  -0.00000 -0.00000 356 CYS A HA   
515  H  HB2  . CYS A 37  ? 0.41477 0.41477 0.41477 -0.00000 -0.00000 -0.00000 356 CYS A HB2  
516  H  HB3  . CYS A 37  ? 0.41477 0.41477 0.41477 -0.00000 -0.00000 -0.00000 356 CYS A HB3  
517  N  N    . LYS A 38  ? 0.49932 0.49564 0.39370 -0.06607 -0.06423 -0.00800 357 LYS A N    
518  C  CA   . LYS A 38  ? 0.67073 0.69061 0.58244 -0.10849 -0.10096 0.01017  357 LYS A CA   
519  C  C    . LYS A 38  ? 0.69542 0.70002 0.53122 -0.12359 -0.12185 0.01151  357 LYS A C    
520  O  O    . LYS A 38  ? 0.62313 0.56981 0.36511 -0.10812 -0.10902 -0.01166 357 LYS A O    
521  C  CB   . LYS A 38  ? 0.77940 0.75417 0.67688 -0.13777 -0.11788 0.00107  357 LYS A CB   
522  C  CG   . LYS A 38  ? 1.53926 1.55957 1.49900 -0.17899 -0.15108 0.02783  357 LYS A CG   
523  C  CD   . LYS A 38  ? 1.13986 1.11858 1.09950 -0.20509 -0.16101 0.02324  357 LYS A CD   
524  C  CE   . LYS A 38  ? 1.62496 1.65764 1.66275 -0.24522 -0.19096 0.05516  357 LYS A CE   
525  N  NZ   . LYS A 38  ? 1.44560 1.44641 1.50012 -0.26937 -0.19495 0.05783  357 LYS A NZ   
526  H  H    . LYS A 38  ? 0.55603 0.55603 0.55603 0.00000  -0.00000 -0.00000 357 LYS A H    
527  H  HA   . LYS A 38  ? 0.77808 0.77808 0.77808 -0.00000 0.00000  -0.00000 357 LYS A HA   
528  H  HB2  . LYS A 38  ? 0.88475 0.88475 0.88475 0.00000  -0.00000 0.00000  357 LYS A HB2  
529  H  HB3  . LYS A 38  ? 0.88475 0.88475 0.88475 0.00000  -0.00000 0.00000  357 LYS A HB3  
530  H  HG2  . LYS A 38  ? 1.83970 1.83970 1.83970 -0.00000 -0.00000 0.00000  357 LYS A HG2  
531  H  HG3  . LYS A 38  ? 1.83970 1.83970 1.83970 -0.00000 -0.00000 0.00000  357 LYS A HG3  
532  H  HD2  . LYS A 38  ? 1.34374 1.34374 1.34374 -0.00000 -0.00000 -0.00000 357 LYS A HD2  
533  H  HD3  . LYS A 38  ? 1.34374 1.34374 1.34374 -0.00000 -0.00000 -0.00000 357 LYS A HD3  
534  H  HE2  . LYS A 38  ? 1.97871 1.97871 1.97871 0.00000  -0.00000 0.00000  357 LYS A HE2  
535  H  HE3  . LYS A 38  ? 1.97871 1.97871 1.97871 0.00000  -0.00000 0.00000  357 LYS A HE3  
536  H  HZ1  . LYS A 38  ? 1.75742 1.75742 1.75742 0.00000  -0.00000 -0.00000 357 LYS A HZ1  
537  H  HZ2  . LYS A 38  ? 1.75742 1.75742 1.75742 0.00000  -0.00000 -0.00000 357 LYS A HZ2  
538  H  HZ3  . LYS A 38  ? 1.75742 1.75742 1.75742 0.00000  -0.00000 -0.00000 357 LYS A HZ3  
539  N  N    . GLY A 39  ? 0.86973 0.54367 0.57941 -0.33872 -0.20295 0.20993  358 GLY A N    
540  C  CA   . GLY A 39  ? 0.85726 0.50517 0.58192 -0.31299 -0.19266 0.19263  358 GLY A CA   
541  C  C    . GLY A 39  ? 0.87432 0.60712 0.66585 -0.29065 -0.13863 0.17354  358 GLY A C    
542  O  O    . GLY A 39  ? 1.08493 0.88714 0.91463 -0.28504 -0.10765 0.16914  358 GLY A O    
543  H  H    . GLY A 39  ? 0.79428 0.79428 0.79428 0.00000  -0.00000 0.00000  358 GLY A H    
544  H  HA2  . GLY A 39  ? 0.77831 0.77831 0.77831 0.00000  -0.00000 0.00000  358 GLY A HA2  
545  H  HA3  . GLY A 39  ? 0.77831 0.77831 0.77831 0.00000  -0.00000 0.00000  358 GLY A HA3  
546  N  N    . GLY A 40  ? 1.00328 0.72838 0.80583 -0.28017 -0.13196 0.16144  359 GLY A N    
547  C  CA   . GLY A 40  ? 1.09903 0.89794 0.96363 -0.26255 -0.09271 0.14559  359 GLY A CA   
548  C  C    . GLY A 40  ? 0.59797 0.35147 0.47085 -0.22592 -0.08585 0.12864  359 GLY A C    
549  O  O    . GLY A 40  ? 1.09651 0.75990 0.93084 -0.20100 -0.10956 0.11741  359 GLY A O    
550  H  H    . GLY A 40  ? 1.01556 1.01556 1.01556 -0.00000 -0.00000 -0.00000 359 GLY A H    
551  H  HA2  . GLY A 40  ? 1.18481 1.18481 1.18481 0.00000  -0.00000 -0.00000 359 GLY A HA2  
552  H  HA3  . GLY A 40  ? 1.18481 1.18481 1.18481 0.00000  -0.00000 -0.00000 359 GLY A HA3  
553  N  N    . CYS A 41  ? 0.64472 0.47506 0.57456 -0.20671 -0.05326 0.11409  360 CYS A N    
554  C  CA   . CYS A 41  ? 0.50498 0.33100 0.44556 -0.15845 -0.04051 0.08576  360 CYS A CA   
555  C  C    . CYS A 41  ? 0.52977 0.37067 0.48064 -0.16105 -0.03585 0.07596  360 CYS A C    
556  O  O    . CYS A 41  ? 1.17071 1.04621 1.14307 -0.13789 -0.01934 0.05891  360 CYS A O    
557  C  CB   . CYS A 41  ? 0.71296 0.60620 0.69705 -0.13428 -0.01364 0.07823  360 CYS A CB   
558  S  SG   . CYS A 41  ? 0.58790 0.45222 0.54835 -0.12682 -0.02539 0.08764  360 CYS A SG   
559  H  H    . CYS A 41  ? 0.67831 0.67831 0.67831 -0.00000 -0.00000 0.00000  360 CYS A H    
560  H  HA   . CYS A 41  ? 0.51319 0.51319 0.51319 -0.00000 -0.00000 -0.00000 360 CYS A HA   
561  H  HB2  . CYS A 41  ? 0.80706 0.80706 0.80706 0.00000  0.00000  0.00000  360 CYS A HB2  
562  H  HB3  . CYS A 41  ? 0.80706 0.80706 0.80706 0.00000  0.00000  0.00000  360 CYS A HB3  
563  N  N    . PHE A 42  ? 0.50788 0.31828 0.43436 -0.19592 -0.05530 0.08953  361 PHE A N    
564  C  CA   . PHE A 42  ? 0.91828 0.74751 0.85473 -0.21371 -0.05864 0.09158  361 PHE A CA   
565  C  C    . PHE A 42  ? 0.74206 0.50918 0.62102 -0.20645 -0.06642 0.06665  361 PHE A C    
566  O  O    . PHE A 42  ? 0.65682 0.35659 0.49187 -0.18707 -0.07430 0.04607  361 PHE A O    
567  C  CB   . PHE A 42  ? 0.76108 0.61857 0.70669 -0.23474 -0.07114 0.10848  361 PHE A CB   
568  C  CG   . PHE A 42  ? 0.85242 0.64847 0.73966 -0.25288 -0.09258 0.11647  361 PHE A CG   
569  C  CD1  . PHE A 42  ? 1.11376 0.83041 0.93695 -0.26315 -0.11481 0.11004  361 PHE A CD1  
570  C  CD2  . PHE A 42  ? 0.69619 0.51259 0.58655 -0.26359 -0.09335 0.12909  361 PHE A CD2  
571  C  CE1  . PHE A 42  ? 1.17177 0.82397 0.93950 -0.27863 -0.14152 0.11774  361 PHE A CE1  
572  C  CE2  . PHE A 42  ? 0.78370 0.54108 0.61407 -0.28532 -0.12161 0.14053  361 PHE A CE2  
573  C  CZ   . PHE A 42  ? 0.97663 0.64886 0.74782 -0.29051 -0.14776 0.13562  361 PHE A CZ   
574  H  H    . PHE A 42  ? 0.50136 0.50136 0.50136 0.00000  -0.00000 -0.00000 361 PHE A H    
575  H  HA   . PHE A 42  ? 1.00878 1.00878 1.00878 -0.00000 -0.00000 0.00000  361 PHE A HA   
576  H  HB2  . PHE A 42  ? 0.83511 0.83511 0.83511 -0.00000 -0.00000 0.00000  361 PHE A HB2  
577  H  HB3  . PHE A 42  ? 0.83511 0.83511 0.83511 -0.00000 -0.00000 0.00000  361 PHE A HB3  
578  H  HD1  . PHE A 42  ? 1.15302 1.15302 1.15302 0.00000  -0.00000 -0.00000 361 PHE A HD1  
579  H  HD2  . PHE A 42  ? 0.71870 0.71870 0.71870 -0.00000 0.00000  0.00000  361 PHE A HD2  
580  H  HE1  . PHE A 42  ? 1.17467 1.17467 1.17467 0.00000  -0.00000 -0.00000 361 PHE A HE1  
581  H  HE2  . PHE A 42  ? 0.77611 0.77611 0.77611 -0.00000 0.00000  0.00000  361 PHE A HE2  
582  H  HZ   . PHE A 42  ? 0.94989 0.94989 0.94989 -0.00000 -0.00000 -0.00000 361 PHE A HZ   
583  N  N    . PHE A 43  ? 0.56440 0.35531 0.44509 -0.22383 -0.06720 0.06618  362 PHE A N    
584  C  CA   . PHE A 43  ? 0.77287 0.52147 0.59363 -0.22828 -0.06947 0.03730  362 PHE A CA   
585  C  C    . PHE A 43  ? 0.80913 0.48647 0.57309 -0.26586 -0.09603 0.04451  362 PHE A C    
586  O  O    . PHE A 43  ? 0.71928 0.43534 0.50942 -0.27636 -0.10721 0.07557  362 PHE A O    
587  C  CB   . PHE A 43  ? 0.57877 0.38102 0.40950 -0.24659 -0.06446 0.03880  362 PHE A CB   
588  C  CG   . PHE A 43  ? 0.56199 0.42416 0.43307 -0.21666 -0.04249 0.02982  362 PHE A CG   
589  C  CD1  . PHE A 43  ? 0.54823 0.41824 0.39570 -0.18807 -0.02056 -0.01025 362 PHE A CD1  
590  C  CD2  . PHE A 43  ? 0.54402 0.45669 0.48067 -0.21563 -0.04501 0.05754  362 PHE A CD2  
591  C  CE1  . PHE A 43  ? 0.47320 0.40179 0.35265 -0.16756 -0.00237 -0.01559 362 PHE A CE1  
592  C  CE2  . PHE A 43  ? 0.70089 0.65771 0.66535 -0.19279 -0.02867 0.04974  362 PHE A CE2  
593  C  CZ   . PHE A 43  ? 0.41286 0.37729 0.34444 -0.17285 -0.00800 0.01699  362 PHE A CZ   
594  H  H    . PHE A 43  ? 0.54649 0.54649 0.54649 0.00000  -0.00000 -0.00000 362 PHE A H    
595  H  HA   . PHE A 43  ? 0.75576 0.75576 0.75576 -0.00000 -0.00000 0.00000  362 PHE A HA   
596  H  HB2  . PHE A 43  ? 0.54487 0.54487 0.54487 0.00000  0.00000  0.00000  362 PHE A HB2  
597  H  HB3  . PHE A 43  ? 0.54487 0.54487 0.54487 0.00000  0.00000  0.00000  362 PHE A HB3  
598  H  HD1  . PHE A 43  ? 0.54544 0.54544 0.54544 -0.00000 -0.00000 0.00000  362 PHE A HD1  
599  H  HD2  . PHE A 43  ? 0.59312 0.59312 0.59312 0.00000  -0.00000 -0.00000 362 PHE A HD2  
600  H  HE1  . PHE A 43  ? 0.48821 0.48821 0.48821 0.00000  -0.00000 0.00000  362 PHE A HE1  
601  H  HE2  . PHE A 43  ? 0.81015 0.81015 0.81015 0.00000  -0.00000 -0.00000 362 PHE A HE2  
602  H  HZ   . PHE A 43  ? 0.45441 0.45441 0.45441 -0.00000 -0.00000 0.00000  362 PHE A HZ   
603  N  N    . PRO A 44  ? 0.85663 0.46278 0.55598 -0.25784 -0.09989 0.00620  363 PRO A N    
604  C  CA   . PRO A 44  ? 0.90589 0.50835 0.59295 -0.21219 -0.07877 -0.04802 363 PRO A CA   
605  C  C    . PRO A 44  ? 0.79583 0.37400 0.50952 -0.16147 -0.07940 -0.05693 363 PRO A C    
606  O  O    . PRO A 44  ? 0.93417 0.44793 0.63480 -0.16728 -0.10597 -0.03488 363 PRO A O    
607  C  CB   . PRO A 44  ? 0.91352 0.44168 0.52547 -0.22820 -0.08991 -0.08739 363 PRO A CB   
608  C  CG   . PRO A 44  ? 0.98612 0.43768 0.56652 -0.26499 -0.12601 -0.05038 363 PRO A CG   
609  C  CD   . PRO A 44  ? 0.87024 0.40610 0.51028 -0.28907 -0.12571 0.01066  363 PRO A CD   
610  H  HA   . PRO A 44  ? 0.80345 0.80345 0.80345 -0.00000 -0.00000 0.00000  363 PRO A HA   
611  H  HB2  . PRO A 44  ? 0.74942 0.74942 0.74942 -0.00000 -0.00000 -0.00000 363 PRO A HB2  
612  H  HB3  . PRO A 44  ? 0.74942 0.74942 0.74942 -0.00000 -0.00000 -0.00000 363 PRO A HB3  
613  H  HG2  . PRO A 44  ? 0.79669 0.79669 0.79669 0.00000  -0.00000 -0.00000 363 PRO A HG2  
614  H  HG3  . PRO A 44  ? 0.79669 0.79669 0.79669 0.00000  -0.00000 -0.00000 363 PRO A HG3  
615  H  HD2  . PRO A 44  ? 0.71180 0.71180 0.71180 0.00000  -0.00000 0.00000  363 PRO A HD2  
616  H  HD3  . PRO A 44  ? 0.71180 0.71180 0.71180 0.00000  -0.00000 0.00000  363 PRO A HD3  
617  N  N    . LEU A 45  ? 0.91767 0.54971 0.66430 -0.11927 -0.05421 -0.08598 364 LEU A N    
618  C  CA   . LEU A 45  ? 0.91070 0.52977 0.68946 -0.07227 -0.05814 -0.08975 364 LEU A CA   
619  C  C    . LEU A 45  ? 1.31408 0.85006 1.06783 -0.03112 -0.07726 -0.13838 364 LEU A C    
620  O  O    . LEU A 45  ? 1.38847 0.89636 1.10352 -0.03432 -0.07505 -0.18164 364 LEU A O    
621  C  CB   . LEU A 45  ? 0.72912 0.44789 0.55816 -0.04819 -0.02622 -0.09641 364 LEU A CB   
622  C  CG   . LEU A 45  ? 0.83085 0.61623 0.69549 -0.07731 -0.01545 -0.05132 364 LEU A CG   
623  C  CD1  . LEU A 45  ? 0.97870 0.84851 0.87764 -0.05971 0.01117  -0.06239 364 LEU A CD1  
624  C  CD2  . LEU A 45  ? 0.83642 0.60391 0.72115 -0.08343 -0.02915 -0.01320 364 LEU A CD2  
625  H  H    . LEU A 45  ? 0.85324 0.85324 0.85324 0.00000  0.00000  -0.00000 364 LEU A H    
626  H  HA   . LEU A 45  ? 0.85254 0.85254 0.85254 -0.00000 -0.00000 0.00000  364 LEU A HA   
627  H  HB2  . LEU A 45  ? 0.69464 0.69464 0.69464 0.00000  -0.00000 0.00000  364 LEU A HB2  
628  H  HB3  . LEU A 45  ? 0.69464 0.69464 0.69464 0.00000  -0.00000 0.00000  364 LEU A HB3  
629  H  HG   . LEU A 45  ? 0.85760 0.85760 0.85760 -0.00000 -0.00000 -0.00000 364 LEU A HG   
630  H  HD11 . LEU A 45  ? 1.08251 1.08251 1.08251 -0.00000 0.00000  -0.00000 364 LEU A HD11 
631  H  HD12 . LEU A 45  ? 1.08251 1.08251 1.08251 -0.00000 0.00000  -0.00000 364 LEU A HD12 
632  H  HD13 . LEU A 45  ? 1.08251 1.08251 1.08251 -0.00000 0.00000  -0.00000 364 LEU A HD13 
633  H  HD21 . LEU A 45  ? 0.86516 0.86516 0.86516 0.00000  0.00000  -0.00000 364 LEU A HD21 
634  H  HD22 . LEU A 45  ? 0.86516 0.86516 0.86516 0.00000  0.00000  -0.00000 364 LEU A HD22 
635  H  HD23 . LEU A 45  ? 0.86516 0.86516 0.86516 0.00000  0.00000  -0.00000 364 LEU A HD23 
636  N  N    . ALA A 46  ? 1.34799 0.84318 1.12339 0.00437  -0.09945 -0.13250 365 ALA A N    
637  C  CA   . ALA A 46  ? 1.49667 0.90376 1.26458 0.05309  -0.12977 -0.17696 365 ALA A CA   
638  C  C    . ALA A 46  ? 1.87868 1.35927 1.70476 0.11526  -0.10634 -0.22612 365 ALA A C    
639  O  O    . ALA A 46  ? 1.25794 0.84940 1.12073 0.11369  -0.06989 -0.21662 365 ALA A O    
640  C  CB   . ALA A 46  ? 1.73257 1.03684 1.48479 0.04663  -0.18369 -0.13330 365 ALA A CB   
641  H  H    . ALA A 46  ? 1.32639 1.32639 1.32639 0.00000  -0.00000 0.00000  365 ALA A H    
642  H  HA   . ALA A 46  ? 1.46657 1.46657 1.46657 -0.00000 -0.00000 0.00000  365 ALA A HA   
643  H  HB1  . ALA A 46  ? 1.70225 1.70225 1.70225 -0.00000 -0.00000 0.00000  365 ALA A HB1  
644  H  HB2  . ALA A 46  ? 1.70225 1.70225 1.70225 -0.00000 -0.00000 0.00000  365 ALA A HB2  
645  H  HB3  . ALA A 46  ? 1.70225 1.70225 1.70225 -0.00000 -0.00000 0.00000  365 ALA A HB3  
646  N  N    . ASP A 47  ? 1.74317 1.16028 1.58087 0.17099  -0.13147 -0.28129 366 ASP A N    
647  C  CA   . ASP A 47  ? 2.01654 1.52925 1.92364 0.22697  -0.10634 -0.32630 366 ASP A CA   
648  C  C    . ASP A 47  ? 1.57337 1.09590 1.53047 0.25348  -0.12969 -0.28797 366 ASP A C    
649  O  O    . ASP A 47  ? 1.36378 0.99479 1.37054 0.27403  -0.09980 -0.29703 366 ASP A O    
650  C  CB   . ASP A 47  ? 1.66958 1.15820 1.58975 0.26216  -0.11202 -0.38135 366 ASP A CB   
651  C  CG   . ASP A 47  ? 2.02949 1.63817 2.01703 0.30665  -0.07810 -0.42970 366 ASP A CG   
652  O  OD1  . ASP A 47  ? 1.98661 1.70580 1.97127 0.28717  -0.02721 -0.45314 366 ASP A OD1  
653  O  OD2  . ASP A 47  ? 1.86532 1.46029 1.90586 0.35424  -0.10681 -0.43979 366 ASP A OD2  
654  H  H    . ASP A 47  ? 1.79430 1.79430 1.79430 0.00000  -0.00000 -0.00000 366 ASP A H    
655  H  HA   . ASP A 47  ? 2.18834 2.18834 2.18834 -0.00000 -0.00000 -0.00000 366 ASP A HA   
656  H  HB2  . ASP A 47  ? 1.76758 1.76758 1.76758 0.00000  -0.00000 -0.00000 366 ASP A HB2  
657  H  HB3  . ASP A 47  ? 1.76758 1.76758 1.76758 0.00000  -0.00000 -0.00000 366 ASP A HB3  
658  N  N    . ASP A 48  ? 1.36761 0.78554 1.30607 0.24277  -0.18370 -0.24004 367 ASP A N    
659  C  CA   . ASP A 48  ? 1.64424 1.06401 1.61734 0.25536  -0.21249 -0.19857 367 ASP A CA   
660  C  C    . ASP A 48  ? 1.54363 1.00443 1.50448 0.21186  -0.19527 -0.14245 367 ASP A C    
661  O  O    . ASP A 48  ? 1.15330 0.61217 1.12909 0.20766  -0.21899 -0.10074 367 ASP A O    
662  C  CB   . ASP A 48  ? 1.91231 1.21641 1.85795 0.24261  -0.27877 -0.16286 367 ASP A CB   
663  C  CG   . ASP A 48  ? 2.10642 1.33545 1.97584 0.17363  -0.29746 -0.11314 367 ASP A CG   
664  O  OD1  . ASP A 48  ? 2.09930 1.34241 1.93762 0.14589  -0.26395 -0.12247 367 ASP A OD1  
665  O  OD2  . ASP A 48  ? 2.16780 1.33454 2.00729 0.14074  -0.34637 -0.06418 367 ASP A OD2  
666  H  H    . ASP A 48  ? 1.38425 1.38425 1.38425 -0.00000 -0.00000 -0.00000 367 ASP A H    
667  H  HA   . ASP A 48  ? 1.73080 1.73080 1.73080 -0.00000 -0.00000 0.00000  367 ASP A HA   
668  H  HB2  . ASP A 48  ? 1.99524 1.99524 1.99524 -0.00000 -0.00000 0.00000  367 ASP A HB2  
669  H  HB3  . ASP A 48  ? 1.99524 1.99524 1.99524 -0.00000 -0.00000 0.00000  367 ASP A HB3  
670  N  N    . VAL A 49  ? 1.23328 0.75716 1.16999 0.16698  -0.14916 -0.13335 368 VAL A N    
671  C  CA   . VAL A 49  ? 1.14487 0.74586 1.08521 0.12239  -0.12058 -0.08356 368 VAL A CA   
672  C  C    . VAL A 49  ? 1.01505 0.72860 1.00781 0.14979  -0.08569 -0.09801 368 VAL A C    
673  O  O    . VAL A 49  ? 1.21439 0.96746 1.22133 0.13420  -0.08138 -0.06153 368 VAL A O    
674  C  CB   . VAL A 49  ? 1.30315 0.92838 1.21278 0.07179  -0.09333 -0.07081 368 VAL A CB   
675  C  CG1  . VAL A 49  ? 1.12669 0.85052 1.06156 0.04429  -0.05731 -0.04192 368 VAL A CG1  
676  C  CG2  . VAL A 49  ? 1.35267 0.88294 1.21126 0.02862  -0.12951 -0.03740 368 VAL A CG2  
677  H  H    . VAL A 49  ? 1.26474 1.26474 1.26474 0.00000  -0.00000 -0.00000 368 VAL A H    
678  H  HA   . VAL A 49  ? 1.19094 1.19094 1.19094 -0.00000 -0.00000 0.00000  368 VAL A HA   
679  H  HB   . VAL A 49  ? 1.37829 1.37829 1.37829 0.00000  -0.00000 0.00000  368 VAL A HB   
680  H  HG11 . VAL A 49  ? 1.21608 1.21608 1.21608 0.00000  -0.00000 -0.00000 368 VAL A HG11 
681  H  HG12 . VAL A 49  ? 1.21608 1.21608 1.21608 0.00000  -0.00000 -0.00000 368 VAL A HG12 
682  H  HG13 . VAL A 49  ? 1.21608 1.21608 1.21608 0.00000  -0.00000 -0.00000 368 VAL A HG13 
683  H  HG21 . VAL A 49  ? 1.37931 1.37931 1.37931 0.00000  -0.00000 -0.00000 368 VAL A HG21 
684  H  HG22 . VAL A 49  ? 1.37931 1.37931 1.37931 0.00000  -0.00000 -0.00000 368 VAL A HG22 
685  H  HG23 . VAL A 49  ? 1.37931 1.37931 1.37931 0.00000  -0.00000 -0.00000 368 VAL A HG23 
686  N  N    . THR A 50  ? 1.02097 0.79170 1.03857 0.18513  -0.06047 -0.15309 369 THR A N    
687  C  CA   . THR A 50  ? 0.62889 0.51640 0.69088 0.20360  -0.02691 -0.16949 369 THR A CA   
688  C  C    . THR A 50  ? 0.60006 0.55291 0.65482 0.15600  0.00253  -0.12708 369 THR A C    
689  O  O    . THR A 50  ? 0.77666 0.76930 0.85405 0.15569  0.00482  -0.10205 369 THR A O    
690  C  CB   . THR A 50  ? 1.19511 1.08423 1.30512 0.25026  -0.05435 -0.17172 369 THR A CB   
691  O  OG1  . THR A 50  ? 1.10318 0.95542 1.19972 0.22066  -0.07782 -0.10981 369 THR A OG1  
692  C  CG2  . THR A 50  ? 1.20011 1.00255 1.32550 0.30299  -0.09719 -0.21278 369 THR A CG2  
693  H  H    . THR A 50  ? 1.14106 1.14106 1.14106 0.00000  0.00000  -0.00000 369 THR A H    
694  H  HA   . THR A 50  ? 0.73504 0.73504 0.73504 -0.00000 -0.00000 -0.00000 369 THR A HA   
695  H  HB   . THR A 50  ? 1.43435 1.43435 1.43435 -0.00000 -0.00000 -0.00000 369 THR A HB   
696  H  HG1  . THR A 50  ? 1.30390 1.30390 1.30390 0.00000  0.00000  0.00000  369 THR A HG1  
697  H  HG21 . THR A 50  ? 1.41183 1.41183 1.41183 -0.00000 -0.00000 -0.00000 369 THR A HG21 
698  H  HG22 . THR A 50  ? 1.41183 1.41183 1.41183 -0.00000 -0.00000 -0.00000 369 THR A HG22 
699  H  HG23 . THR A 50  ? 1.41183 1.41183 1.41183 -0.00000 -0.00000 -0.00000 369 THR A HG23 
700  N  N    . PRO A 51  ? 0.53036 0.49185 0.55593 0.11580  0.02099  -0.11971 370 PRO A N    
701  C  CA   . PRO A 51  ? 0.43424 0.44067 0.46212 0.07668  0.03849  -0.08184 370 PRO A CA   
702  C  C    . PRO A 51  ? 0.44798 0.54952 0.49553 0.07660  0.06542  -0.09365 370 PRO A C    
703  O  O    . PRO A 51  ? 0.41883 0.56730 0.46462 0.08567  0.07974  -0.13113 370 PRO A O    
704  C  CB   . PRO A 51  ? 0.40074 0.37816 0.39862 0.03886  0.03801  -0.07269 370 PRO A CB   
705  C  CG   . PRO A 51  ? 0.45952 0.42442 0.43462 0.05203  0.03961  -0.11766 370 PRO A CG   
706  C  CD   . PRO A 51  ? 0.54574 0.47639 0.53715 0.10370  0.02306  -0.14752 370 PRO A CD   
707  H  HA   . PRO A 51  ? 0.53538 0.53538 0.53538 0.00000  -0.00000 0.00000  370 PRO A HA   
708  H  HB2  . PRO A 51  ? 0.46816 0.46816 0.46816 -0.00000 -0.00000 0.00000  370 PRO A HB2  
709  H  HB3  . PRO A 51  ? 0.46816 0.46816 0.46816 -0.00000 -0.00000 0.00000  370 PRO A HB3  
710  H  HG2  . PRO A 51  ? 0.52799 0.52799 0.52799 -0.00000 -0.00000 -0.00000 370 PRO A HG2  
711  H  HG3  . PRO A 51  ? 0.52799 0.52799 0.52799 -0.00000 -0.00000 -0.00000 370 PRO A HG3  
712  H  HD2  . PRO A 51  ? 0.62428 0.62428 0.62428 0.00000  -0.00000 0.00000  370 PRO A HD2  
713  H  HD3  . PRO A 51  ? 0.62428 0.62428 0.62428 0.00000  -0.00000 0.00000  370 PRO A HD3  
714  N  N    . THR A 52  ? 0.52898 0.66203 0.59143 0.06110  0.07213  -0.06372 371 THR A N    
715  C  CA   . THR A 52  ? 0.29787 0.50835 0.36870 0.04820  0.09128  -0.06605 371 THR A CA   
716  C  C    . THR A 52  ? 0.37804 0.59563 0.42748 0.00910  0.09506  -0.06031 371 THR A C    
717  O  O    . THR A 52  ? 0.36018 0.52806 0.39839 -0.00759 0.08408  -0.04788 371 THR A O    
718  C  CB   . THR A 52  ? 0.19912 0.42728 0.28656 0.04071  0.09332  -0.03832 371 THR A CB   
719  O  OG1  . THR A 52  ? 0.30319 0.49174 0.38966 0.01774  0.08846  -0.01391 371 THR A OG1  
720  C  CG2  . THR A 52  ? 0.29313 0.51594 0.39643 0.07046  0.08275  -0.03719 371 THR A CG2  
721  H  H    . THR A 52  ? 0.71354 0.71354 0.71354 -0.00000 -0.00000 0.00000  371 THR A H    
722  H  HA   . THR A 52  ? 0.47054 0.47054 0.47054 -0.00000 -0.00000 0.00000  371 THR A HA   
723  H  HB   . THR A 52  ? 0.36234 0.36234 0.36234 0.00000  0.00000  0.00000  371 THR A HB   
724  H  HG1  . THR A 52  ? 0.47440 0.47440 0.47440 -0.00000 -0.00000 0.00000  371 THR A HG1  
725  H  HG21 . THR A 52  ? 0.48277 0.48277 0.48277 0.00000  0.00000  -0.00000 371 THR A HG21 
726  H  HG22 . THR A 52  ? 0.48277 0.48277 0.48277 0.00000  0.00000  -0.00000 371 THR A HG22 
727  H  HG23 . THR A 52  ? 0.48277 0.48277 0.48277 0.00000  0.00000  -0.00000 371 THR A HG23 
728  N  N    . LYS A 53  ? 0.39375 0.37433 0.34967 -0.16538 0.01725  -0.06053 372 LYS A N    
729  C  CA   . LYS A 53  ? 0.49462 0.47225 0.41092 -0.15815 0.02509  -0.04577 372 LYS A CA   
730  C  C    . LYS A 53  ? 0.42885 0.37226 0.32115 -0.15273 0.00657  -0.04416 372 LYS A C    
731  O  O    . LYS A 53  ? 0.56960 0.51074 0.42994 -0.14260 0.00544  -0.04025 372 LYS A O    
732  C  CB   . LYS A 53  ? 0.48867 0.47445 0.42199 -0.16932 0.04116  -0.01392 372 LYS A CB   
733  C  CG   . LYS A 53  ? 0.57429 0.60598 0.53164 -0.16820 0.06883  -0.01178 372 LYS A CG   
734  C  CD   . LYS A 53  ? 0.72000 0.77714 0.68329 -0.17290 0.09406  0.03106  372 LYS A CD   
735  C  CE   . LYS A 53  ? 1.05901 1.17289 1.04772 -0.16526 0.12958  0.03442  372 LYS A CE   
736  N  NZ   . LYS A 53  ? 0.59607 0.71424 0.67160 -0.18555 0.12937  0.05260  372 LYS A NZ   
737  H  H    . LYS A 53  ? 0.44767 0.44767 0.44767 0.00000  -0.00000 -0.00000 372 LYS A H    
738  H  HA   . LYS A 53  ? 0.55169 0.55169 0.55169 0.00000  -0.00000 0.00000  372 LYS A HA   
739  H  HB2  . LYS A 53  ? 0.55461 0.55461 0.55461 -0.00000 -0.00000 -0.00000 372 LYS A HB2  
740  H  HB3  . LYS A 53  ? 0.55461 0.55461 0.55461 -0.00000 -0.00000 -0.00000 372 LYS A HB3  
741  H  HG2  . LYS A 53  ? 0.68533 0.68533 0.68533 0.00000  0.00000  -0.00000 372 LYS A HG2  
742  H  HG3  . LYS A 53  ? 0.68533 0.68533 0.68533 0.00000  0.00000  -0.00000 372 LYS A HG3  
743  H  HD2  . LYS A 53  ? 0.87274 0.87274 0.87274 0.00000  -0.00000 0.00000  372 LYS A HD2  
744  H  HD3  . LYS A 53  ? 0.87274 0.87274 0.87274 0.00000  -0.00000 0.00000  372 LYS A HD3  
745  H  HE2  . LYS A 53  ? 1.31242 1.31242 1.31242 -0.00000 -0.00000 0.00000  372 LYS A HE2  
746  H  HE3  . LYS A 53  ? 1.31242 1.31242 1.31242 -0.00000 -0.00000 0.00000  372 LYS A HE3  
747  H  HZ1  . LYS A 53  ? 0.79334 0.79334 0.79334 -0.00000 0.00000  0.00000  372 LYS A HZ1  
748  H  HZ2  . LYS A 53  ? 0.79334 0.79334 0.79334 -0.00000 0.00000  0.00000  372 LYS A HZ2  
749  H  HZ3  . LYS A 53  ? 0.79334 0.79334 0.79334 -0.00000 0.00000  0.00000  372 LYS A HZ3  
750  N  N    . HIS A 54  ? 0.39980 0.31651 0.30485 -0.15569 -0.00965 -0.04916 373 HIS A N    
751  C  CA   . HIS A 54  ? 0.40626 0.29478 0.28679 -0.14233 -0.02429 -0.05338 373 HIS A CA   
752  C  C    . HIS A 54  ? 0.40359 0.31271 0.27219 -0.12713 -0.02218 -0.06479 373 HIS A C    
753  O  O    . HIS A 54  ? 0.46099 0.36383 0.31294 -0.11361 -0.02539 -0.06248 373 HIS A O    
754  C  CB   . HIS A 54  ? 0.42922 0.28328 0.31534 -0.14196 -0.04432 -0.06150 373 HIS A CB   
755  C  CG   . HIS A 54  ? 0.45794 0.28116 0.31600 -0.12102 -0.05912 -0.07108 373 HIS A CG   
756  N  ND1  . HIS A 54  ? 0.45230 0.28757 0.28647 -0.09906 -0.05550 -0.08514 373 HIS A ND1  
757  C  CD2  . HIS A 54  ? 0.49587 0.27998 0.35258 -0.11610 -0.07772 -0.06735 373 HIS A CD2  
758  C  CE1  . HIS A 54  ? 0.65016 0.45691 0.46362 -0.07750 -0.06727 -0.09448 373 HIS A CE1  
759  N  NE2  . HIS A 54  ? 0.51798 0.28868 0.34578 -0.08777 -0.08473 -0.08667 373 HIS A NE2  
760  H  H    . HIS A 54  ? 0.40904 0.40904 0.40904 0.00000  -0.00000 -0.00000 373 HIS A H    
761  H  HA   . HIS A 54  ? 0.39228 0.39228 0.39228 0.00000  -0.00000 -0.00000 373 HIS A HA   
762  H  HB2  . HIS A 54  ? 0.41171 0.41171 0.41171 0.00000  -0.00000 -0.00000 373 HIS A HB2  
763  H  HB3  . HIS A 54  ? 0.41171 0.41171 0.41171 0.00000  -0.00000 -0.00000 373 HIS A HB3  
764  H  HD1  . HIS A 54  ? 0.40769 0.40769 0.40769 -0.00000 -0.00000 -0.00000 373 HIS A HD1  
765  H  HD2  . HIS A 54  ? 0.44853 0.44853 0.44853 0.00000  0.00000  0.00000  373 HIS A HD2  
766  H  HE1  . HIS A 54  ? 0.62885 0.62885 0.62885 0.00000  0.00000  -0.00000 373 HIS A HE1  
767  N  N    . ALA A 55  ? 0.35438 0.28932 0.24364 -0.13009 -0.01994 -0.07280 374 ALA A N    
768  C  CA   . ALA A 55  ? 0.35673 0.31627 0.25552 -0.11923 -0.02209 -0.07414 374 ALA A CA   
769  C  C    . ALA A 55  ? 0.45193 0.42013 0.34519 -0.11398 -0.02386 -0.07392 374 ALA A C    
770  O  O    . ALA A 55  ? 0.38234 0.35625 0.27967 -0.10234 -0.03067 -0.06862 374 ALA A O    
771  C  CB   . ALA A 55  ? 0.46277 0.44703 0.39856 -0.12729 -0.02611 -0.07722 374 ALA A CB   
772  H  H    . ALA A 55  ? 0.35209 0.35209 0.35209 0.00000  0.00000  -0.00000 374 ALA A H    
773  H  HA   . ALA A 55  ? 0.37198 0.37198 0.37198 -0.00000 -0.00000 -0.00000 374 ALA A HA   
774  H  HB1  . ALA A 55  ? 0.52391 0.52391 0.52391 0.00000  0.00000  -0.00000 374 ALA A HB1  
775  H  HB2  . ALA A 55  ? 0.52391 0.52391 0.52391 0.00000  0.00000  -0.00000 374 ALA A HB2  
776  H  HB3  . ALA A 55  ? 0.52391 0.52391 0.52391 0.00000  0.00000  -0.00000 374 ALA A HB3  
777  N  N    . ILE A 56  ? 0.37831 0.34964 0.26187 -0.11980 -0.01839 -0.07864 375 ILE A N    
778  C  CA   . ILE A 56  ? 0.55259 0.52734 0.41169 -0.11040 -0.02326 -0.08124 375 ILE A CA   
779  C  C    . ILE A 56  ? 0.40273 0.35537 0.23155 -0.10576 -0.02537 -0.06496 375 ILE A C    
780  O  O    . ILE A 56  ? 0.48603 0.43555 0.30715 -0.09539 -0.03974 -0.06362 375 ILE A O    
781  C  CB   . ILE A 56  ? 0.39479 0.38455 0.23786 -0.11093 -0.01035 -0.08949 375 ILE A CB   
782  C  CG1  . ILE A 56  ? 0.46663 0.47639 0.34923 -0.11116 -0.01513 -0.11133 375 ILE A CG1  
783  C  CG2  . ILE A 56  ? 0.44199 0.43245 0.23730 -0.09631 -0.01556 -0.09205 375 ILE A CG2  
784  C  CD1  . ILE A 56  ? 0.49637 0.52677 0.37463 -0.10884 0.00477  -0.12069 375 ILE A CD1  
785  H  H    . ILE A 56  ? 0.39649 0.39649 0.39649 -0.00000 -0.00000 0.00000  375 ILE A H    
786  H  HA   . ILE A 56  ? 0.59722 0.59722 0.59722 0.00000  0.00000  0.00000  375 ILE A HA   
787  H  HB   . ILE A 56  ? 0.40404 0.40404 0.40404 -0.00000 -0.00000 -0.00000 375 ILE A HB   
788  H  HG12 . ILE A 56  ? 0.51747 0.51747 0.51747 0.00000  -0.00000 0.00000  375 ILE A HG12 
789  H  HG13 . ILE A 56  ? 0.51747 0.51747 0.51747 0.00000  -0.00000 0.00000  375 ILE A HG13 
790  H  HG21 . ILE A 56  ? 0.44527 0.44527 0.44527 -0.00000 -0.00000 0.00000  375 ILE A HG21 
791  H  HG22 . ILE A 56  ? 0.44527 0.44527 0.44527 -0.00000 -0.00000 0.00000  375 ILE A HG22 
792  H  HG23 . ILE A 56  ? 0.44527 0.44527 0.44527 -0.00000 -0.00000 0.00000  375 ILE A HG23 
793  H  HD11 . ILE A 56  ? 0.55968 0.55968 0.55968 -0.00000 -0.00000 -0.00000 375 ILE A HD11 
794  H  HD12 . ILE A 56  ? 0.55968 0.55968 0.55968 -0.00000 -0.00000 -0.00000 375 ILE A HD12 
795  H  HD13 . ILE A 56  ? 0.55968 0.55968 0.55968 -0.00000 -0.00000 -0.00000 375 ILE A HD13 
796  N  N    . VAL A 57  ? 0.49863 0.43253 0.32000 -0.11384 -0.01744 -0.05126 376 VAL A N    
797  C  CA   . VAL A 57  ? 0.44833 0.35712 0.25206 -0.11029 -0.02522 -0.03471 376 VAL A CA   
798  C  C    . VAL A 57  ? 0.59460 0.49367 0.41058 -0.09574 -0.03668 -0.04046 376 VAL A C    
799  O  O    . VAL A 57  ? 0.50466 0.39659 0.31481 -0.08638 -0.04758 -0.03334 376 VAL A O    
800  C  CB   . VAL A 57  ? 0.72002 0.60720 0.53190 -0.12296 -0.02338 -0.01790 376 VAL A CB   
801  C  CG1  . VAL A 57  ? 0.54303 0.39505 0.35487 -0.11655 -0.04149 -0.00797 376 VAL A CG1  
802  C  CG2  . VAL A 57  ? 0.49220 0.39870 0.29440 -0.13418 -0.00769 0.00418  376 VAL A CG2  
803  H  H    . VAL A 57  ? 0.50103 0.50103 0.50103 0.00000  0.00000  -0.00000 376 VAL A H    
804  H  HA   . VAL A 57  ? 0.42016 0.42016 0.42016 0.00000  -0.00000 0.00000  376 VAL A HA   
805  H  HB   . VAL A 57  ? 0.74422 0.74422 0.74422 -0.00000 -0.00000 0.00000  376 VAL A HB   
806  H  HG11 . VAL A 57  ? 0.51775 0.51775 0.51775 -0.00000 0.00000  0.00000  376 VAL A HG11 
807  H  HG12 . VAL A 57  ? 0.51775 0.51775 0.51775 -0.00000 0.00000  0.00000  376 VAL A HG12 
808  H  HG13 . VAL A 57  ? 0.51775 0.51775 0.51775 -0.00000 0.00000  0.00000  376 VAL A HG13 
809  H  HG21 . VAL A 57  ? 0.47128 0.47128 0.47128 0.00000  -0.00000 -0.00000 376 VAL A HG21 
810  H  HG22 . VAL A 57  ? 0.47128 0.47128 0.47128 0.00000  -0.00000 -0.00000 376 VAL A HG22 
811  H  HG23 . VAL A 57  ? 0.47128 0.47128 0.47128 0.00000  -0.00000 -0.00000 376 VAL A HG23 
812  N  N    . GLN A 58  ? 0.48632 0.38900 0.31968 -0.09139 -0.03346 -0.05107 377 GLN A N    
813  C  CA   . GLN A 58  ? 0.56286 0.46827 0.40605 -0.07152 -0.03572 -0.05337 377 GLN A CA   
814  C  C    . GLN A 58  ? 0.39729 0.33253 0.26581 -0.06459 -0.03917 -0.04703 377 GLN A C    
815  O  O    . GLN A 58  ? 0.53241 0.47040 0.41546 -0.04884 -0.04318 -0.03957 377 GLN A O    
816  C  CB   . GLN A 58  ? 0.46872 0.37933 0.31292 -0.06495 -0.02912 -0.06336 377 GLN A CB   
817  C  CG   . GLN A 58  ? 0.68853 0.61386 0.53549 -0.03728 -0.02276 -0.06377 377 GLN A CG   
818  C  CD   . GLN A 58  ? 0.47349 0.39879 0.29875 -0.02465 -0.01764 -0.07539 377 GLN A CD   
819  O  OE1  . GLN A 58  ? 0.72346 0.61549 0.52882 -0.03363 -0.02906 -0.08834 377 GLN A OE1  
820  N  NE2  . GLN A 58  ? 1.40919 1.37420 1.23995 -0.00268 -0.00196 -0.06725 377 GLN A NE2  
821  H  H    . GLN A 58  ? 0.47857 0.47857 0.47857 0.00000  -0.00000 -0.00000 377 GLN A H    
822  H  HA   . GLN A 58  ? 0.57544 0.57544 0.57544 0.00000  -0.00000 -0.00000 377 GLN A HA   
823  H  HB2  . GLN A 58  ? 0.46496 0.46496 0.46496 -0.00000 -0.00000 0.00000  377 GLN A HB2  
824  H  HB3  . GLN A 58  ? 0.46496 0.46496 0.46496 -0.00000 -0.00000 0.00000  377 GLN A HB3  
825  H  HG2  . GLN A 58  ? 0.73572 0.73572 0.73572 -0.00000 0.00000  -0.00000 377 GLN A HG2  
826  H  HG3  . GLN A 58  ? 0.73572 0.73572 0.73572 -0.00000 0.00000  -0.00000 377 GLN A HG3  
827  H  HE21 . GLN A 58  ? 1.60991 1.60991 1.60991 -0.00000 -0.00000 -0.00000 377 GLN A HE21 
828  H  HE22 . GLN A 58  ? 1.60991 1.60991 1.60991 -0.00000 -0.00000 -0.00000 377 GLN A HE22 
829  N  N    . THR A 59  ? 0.42642 0.38278 0.31028 -0.07492 -0.04222 -0.05013 378 THR A N    
830  C  CA   . THR A 59  ? 0.36250 0.33988 0.28248 -0.06971 -0.05781 -0.04438 378 THR A CA   
831  C  C    . THR A 59  ? 0.52915 0.48696 0.43030 -0.06503 -0.07539 -0.04131 378 THR A C    
832  O  O    . THR A 59  ? 0.53885 0.50361 0.47413 -0.05548 -0.09123 -0.03051 378 THR A O    
833  C  CB   . THR A 59  ? 0.44542 0.43978 0.38813 -0.07961 -0.06721 -0.05483 378 THR A CB   
834  O  OG1  . THR A 59  ? 0.44395 0.45466 0.40516 -0.08629 -0.05411 -0.05358 378 THR A OG1  
835  C  CG2  . THR A 59  ? 0.33472 0.34578 0.33161 -0.07441 -0.09460 -0.04801 378 THR A CG2  
836  H  H    . THR A 59  ? 0.44836 0.44836 0.44836 -0.00000 -0.00000 0.00000  378 THR A H    
837  H  HA   . THR A 59  ? 0.39110 0.39110 0.39110 0.00000  0.00000  0.00000  378 THR A HA   
838  H  HB   . THR A 59  ? 0.50990 0.50990 0.50990 0.00000  -0.00000 -0.00000 378 THR A HB   
839  H  HG1  . THR A 59  ? 0.52208 0.52208 0.52208 0.00000  0.00000  0.00000  378 THR A HG1  
840  H  HG21 . THR A 59  ? 0.40200 0.40200 0.40200 -0.00000 -0.00000 -0.00000 378 THR A HG21 
841  H  HG22 . THR A 59  ? 0.40200 0.40200 0.40200 -0.00000 -0.00000 -0.00000 378 THR A HG22 
842  H  HG23 . THR A 59  ? 0.40200 0.40200 0.40200 -0.00000 -0.00000 -0.00000 378 THR A HG23 
843  N  N    . LEU A 60  ? 0.44870 0.38521 0.29989 -0.07166 -0.07360 -0.04537 379 LEU A N    
844  C  CA   . LEU A 60  ? 0.48674 0.40425 0.30895 -0.06718 -0.09104 -0.03728 379 LEU A CA   
845  C  C    . LEU A 60  ? 0.47571 0.37606 0.31109 -0.05959 -0.09443 -0.02208 379 LEU A C    
846  O  O    . LEU A 60  ? 0.60947 0.50258 0.45736 -0.05156 -0.11611 -0.01322 379 LEU A O    
847  C  CB   . LEU A 60  ? 0.54765 0.45719 0.31328 -0.07497 -0.08153 -0.03506 379 LEU A CB   
848  C  CG   . LEU A 60  ? 0.63877 0.56632 0.38099 -0.07330 -0.07965 -0.05428 379 LEU A CG   
849  C  CD1  . LEU A 60  ? 0.91328 0.84698 0.60688 -0.07846 -0.05660 -0.04328 379 LEU A CD1  
850  C  CD2  . LEU A 60  ? 0.54179 0.46456 0.27216 -0.05905 -0.11354 -0.06750 379 LEU A CD2  
851  H  H    . LEU A 60  ? 0.45409 0.45409 0.45409 -0.00000 0.00000  -0.00000 379 LEU A H    
852  H  HA   . LEU A 60  ? 0.48054 0.48054 0.48054 0.00000  -0.00000 0.00000  379 LEU A HA   
853  H  HB2  . LEU A 60  ? 0.52782 0.52782 0.52782 -0.00000 0.00000  0.00000  379 LEU A HB2  
854  H  HB3  . LEU A 60  ? 0.52782 0.52782 0.52782 -0.00000 0.00000  0.00000  379 LEU A HB3  
855  H  HG   . LEU A 60  ? 0.63500 0.63500 0.63500 0.00000  -0.00000 0.00000  379 LEU A HG   
856  H  HD11 . LEU A 60  ? 0.94742 0.94742 0.94742 -0.00000 -0.00000 0.00000  379 LEU A HD11 
857  H  HD12 . LEU A 60  ? 0.94742 0.94742 0.94742 -0.00000 -0.00000 0.00000  379 LEU A HD12 
858  H  HD13 . LEU A 60  ? 0.94742 0.94742 0.94742 -0.00000 -0.00000 0.00000  379 LEU A HD13 
859  H  HD21 . LEU A 60  ? 0.50856 0.50856 0.50856 -0.00000 -0.00000 -0.00000 379 LEU A HD21 
860  H  HD22 . LEU A 60  ? 0.50856 0.50856 0.50856 -0.00000 -0.00000 -0.00000 379 LEU A HD22 
861  H  HD23 . LEU A 60  ? 0.50856 0.50856 0.50856 -0.00000 -0.00000 -0.00000 379 LEU A HD23 
862  N  N    . VAL A 61  ? 0.47156 0.36183 0.30786 -0.05965 -0.07840 -0.02166 380 VAL A N    
863  C  CA   . VAL A 61  ? 0.53089 0.40200 0.38218 -0.04624 -0.08411 -0.01516 380 VAL A CA   
864  C  C    . VAL A 61  ? 0.46917 0.36644 0.36808 -0.02692 -0.08263 -0.01424 380 VAL A C    
865  O  O    . VAL A 61  ? 0.55947 0.45023 0.48311 -0.01310 -0.09384 -0.00543 380 VAL A O    
866  C  CB   . VAL A 61  ? 0.50119 0.34978 0.34270 -0.04605 -0.07562 -0.02279 380 VAL A CB   
867  C  CG1  . VAL A 61  ? 0.58132 0.40764 0.44064 -0.02446 -0.08537 -0.02573 380 VAL A CG1  
868  C  CG2  . VAL A 61  ? 0.60055 0.42926 0.41639 -0.06736 -0.07868 -0.01063 380 VAL A CG2  
869  H  H    . VAL A 61  ? 0.45365 0.45365 0.45365 0.00000  -0.00000 -0.00000 380 VAL A H    
870  H  HA   . VAL A 61  ? 0.52659 0.52659 0.52659 -0.00000 -0.00000 -0.00000 380 VAL A HA   
871  H  HB   . VAL A 61  ? 0.47463 0.47463 0.47463 0.00000  -0.00000 0.00000  380 VAL A HB   
872  H  HG11 . VAL A 61  ? 0.57241 0.57241 0.57241 0.00000  -0.00000 -0.00000 380 VAL A HG11 
873  H  HG12 . VAL A 61  ? 0.57241 0.57241 0.57241 0.00000  -0.00000 -0.00000 380 VAL A HG12 
874  H  HG13 . VAL A 61  ? 0.57241 0.57241 0.57241 0.00000  -0.00000 -0.00000 380 VAL A HG13 
875  H  HG21 . VAL A 61  ? 0.57905 0.57905 0.57905 0.00000  -0.00000 -0.00000 380 VAL A HG21 
876  H  HG22 . VAL A 61  ? 0.57905 0.57905 0.57905 0.00000  -0.00000 -0.00000 380 VAL A HG22 
877  H  HG23 . VAL A 61  ? 0.57905 0.57905 0.57905 0.00000  -0.00000 -0.00000 380 VAL A HG23 
878  N  N    . HIS A 62  ? 0.43570 0.36743 0.35697 -0.02586 -0.06882 -0.01773 381 HIS A N    
879  C  CA   . HIS A 62  ? 0.45305 0.42290 0.43142 -0.00868 -0.06337 -0.00462 381 HIS A CA   
880  C  C    . HIS A 62  ? 0.41609 0.39217 0.43721 -0.01083 -0.09085 0.01050  381 HIS A C    
881  O  O    . HIS A 62  ? 0.42132 0.41816 0.49832 0.00507  -0.09298 0.02802  381 HIS A O    
882  C  CB   . HIS A 62  ? 0.38469 0.39344 0.38277 -0.01112 -0.04603 -0.00184 381 HIS A CB   
883  C  CG   . HIS A 62  ? 0.53295 0.59316 0.60369 0.00194  -0.04039 0.02511  381 HIS A CG   
884  N  ND1  . HIS A 62  ? 0.50141 0.59299 0.59040 0.02987  -0.01441 0.03690  381 HIS A ND1  
885  C  CD2  . HIS A 62  ? 0.40816 0.49684 0.54596 -0.00730 -0.05910 0.04582  381 HIS A CD2  
886  C  CE1  . HIS A 62  ? 0.59211 0.73788 0.76027 0.03542  -0.01086 0.07125  381 HIS A CE1  
887  N  NE2  . HIS A 62  ? 0.36982 0.51145 0.57491 0.01077  -0.04202 0.07831  381 HIS A NE2  
888  H  H    . HIS A 62  ? 0.46461 0.46461 0.46461 -0.00000 -0.00000 -0.00000 381 HIS A H    
889  H  HA   . HIS A 62  ? 0.52352 0.52352 0.52352 0.00000  -0.00000 -0.00000 381 HIS A HA   
890  H  HB2  . HIS A 62  ? 0.46151 0.46151 0.46151 0.00000  -0.00000 -0.00000 381 HIS A HB2  
891  H  HB3  . HIS A 62  ? 0.46151 0.46151 0.46151 0.00000  -0.00000 -0.00000 381 HIS A HB3  
892  H  HD1  . HIS A 62  ? 0.67449 0.67449 0.67449 -0.00000 0.00000  -0.00000 381 HIS A HD1  
893  H  HD2  . HIS A 62  ? 0.58096 0.58096 0.58096 -0.00000 0.00000  0.00000  381 HIS A HD2  
894  H  HE1  . HIS A 62  ? 0.83667 0.83667 0.83667 -0.00000 -0.00000 0.00000  381 HIS A HE1  
895  N  N    . LEU A 63  ? 0.53557 0.49445 0.53259 -0.02701 -0.11401 0.00304  382 LEU A N    
896  C  CA   . LEU A 63  ? 0.43682 0.39209 0.46714 -0.02659 -0.15135 0.01144  382 LEU A CA   
897  C  C    . LEU A 63  ? 0.47162 0.40104 0.49912 -0.01837 -0.16817 0.02229  382 LEU A C    
898  O  O    . LEU A 63  ? 0.50598 0.44213 0.59381 -0.01101 -0.19362 0.03840  382 LEU A O    
899  C  CB   . LEU A 63  ? 0.62426 0.56173 0.60928 -0.03743 -0.17403 -0.00805 382 LEU A CB   
900  C  CG   . LEU A 63  ? 0.98904 0.91827 1.00848 -0.03380 -0.22375 -0.00798 382 LEU A CG   
901  C  CD1  . LEU A 63  ? 1.40265 1.36751 1.52286 -0.03410 -0.23461 0.00589  382 LEU A CD1  
902  C  CD2  . LEU A 63  ? 1.10963 1.01439 1.05657 -0.03446 -0.24587 -0.03612 382 LEU A CD2  
903  H  H    . LEU A 63  ? 0.62561 0.62561 0.62561 0.00000  -0.00000 -0.00000 382 LEU A H    
904  H  HA   . LEU A 63  ? 0.51557 0.51557 0.51557 -0.00000 0.00000  -0.00000 382 LEU A HA   
905  H  HB2  . LEU A 63  ? 0.71868 0.71868 0.71868 -0.00000 -0.00000 -0.00000 382 LEU A HB2  
906  H  HB3  . LEU A 63  ? 0.71868 0.71868 0.71868 -0.00000 -0.00000 -0.00000 382 LEU A HB3  
907  H  HG   . LEU A 63  ? 1.16689 1.16689 1.16689 0.00000  -0.00000 0.00000  382 LEU A HG   
908  H  HD11 . LEU A 63  ? 1.71777 1.71777 1.71777 -0.00000 -0.00000 -0.00000 382 LEU A HD11 
909  H  HD12 . LEU A 63  ? 1.71777 1.71777 1.71777 -0.00000 -0.00000 -0.00000 382 LEU A HD12 
910  H  HD13 . LEU A 63  ? 1.71777 1.71777 1.71777 -0.00000 -0.00000 -0.00000 382 LEU A HD13 
911  H  HD21 . LEU A 63  ? 1.27280 1.27280 1.27280 -0.00000 -0.00000 0.00000  382 LEU A HD21 
912  H  HD22 . LEU A 63  ? 1.27280 1.27280 1.27280 -0.00000 -0.00000 0.00000  382 LEU A HD22 
913  H  HD23 . LEU A 63  ? 1.27280 1.27280 1.27280 -0.00000 -0.00000 0.00000  382 LEU A HD23 
914  N  N    . LYS A 64  ? 0.67643 0.57599 0.64607 -0.02083 -0.15866 0.01775  383 LYS A N    
915  C  CA   . LYS A 64  ? 0.53585 0.40709 0.50528 -0.01522 -0.17881 0.03059  383 LYS A CA   
916  C  C    . LYS A 64  ? 0.62662 0.50491 0.64235 0.00413  -0.16204 0.03512  383 LYS A C    
917  O  O    . LYS A 64  ? 1.04737 0.90942 1.09186 0.01334  -0.18199 0.04702  383 LYS A O    
918  C  CB   . LYS A 64  ? 0.76268 0.59988 0.65694 -0.02854 -0.18266 0.03183  383 LYS A CB   
919  C  CG   . LYS A 64  ? 1.22293 1.03073 1.10052 -0.02980 -0.21907 0.05007  383 LYS A CG   
920  C  CD   . LYS A 64  ? 0.87595 0.66347 0.67881 -0.04405 -0.21776 0.06196  383 LYS A CD   
921  C  CE   . LYS A 64  ? 0.80837 0.57157 0.57830 -0.04539 -0.25634 0.08364  383 LYS A CE   
922  N  NZ   . LYS A 64  ? 1.19509 0.93689 1.02415 -0.03856 -0.28073 0.10000  383 LYS A NZ   
923  H  H    . LYS A 64  ? 0.75996 0.75996 0.75996 0.00000  -0.00000 0.00000  383 LYS A H    
924  H  HA   . LYS A 64  ? 0.57644 0.57644 0.57644 -0.00000 -0.00000 -0.00000 383 LYS A HA   
925  H  HB2  . LYS A 64  ? 0.80837 0.80837 0.80837 0.00000  0.00000  -0.00000 383 LYS A HB2  
926  H  HB3  . LYS A 64  ? 0.80837 0.80837 0.80837 0.00000  0.00000  -0.00000 383 LYS A HB3  
927  H  HG2  . LYS A 64  ? 1.34224 1.34224 1.34224 0.00000  0.00000  -0.00000 383 LYS A HG2  
928  H  HG3  . LYS A 64  ? 1.34224 1.34224 1.34224 0.00000  0.00000  -0.00000 383 LYS A HG3  
929  H  HD2  . LYS A 64  ? 0.88786 0.88786 0.88786 -0.00000 -0.00000 -0.00000 383 LYS A HD2  
930  H  HD3  . LYS A 64  ? 0.88786 0.88786 0.88786 -0.00000 -0.00000 -0.00000 383 LYS A HD3  
931  H  HE2  . LYS A 64  ? 0.78386 0.78386 0.78386 -0.00000 -0.00000 -0.00000 383 LYS A HE2  
932  H  HE3  . LYS A 64  ? 0.78386 0.78386 0.78386 -0.00000 -0.00000 -0.00000 383 LYS A HE3  
933  H  HZ1  . LYS A 64  ? 1.26302 1.26302 1.26302 0.00000  -0.00000 0.00000  383 LYS A HZ1  
934  H  HZ2  . LYS A 64  ? 1.26302 1.26302 1.26302 0.00000  -0.00000 0.00000  383 LYS A HZ2  
935  H  HZ3  . LYS A 64  ? 1.26302 1.26302 1.26302 0.00000  -0.00000 0.00000  383 LYS A HZ3  
936  N  N    . PHE A 65  ? 0.78966 0.69111 0.81046 0.01393  -0.12809 0.02394  384 PHE A N    
937  C  CA   . PHE A 65  ? 0.80400 0.71703 0.85711 0.04224  -0.10880 0.02040  384 PHE A CA   
938  C  C    . PHE A 65  ? 0.61401 0.58184 0.69585 0.05629  -0.07592 0.02205  384 PHE A C    
939  O  O    . PHE A 65  ? 0.95791 0.92964 1.00336 0.06434  -0.05191 0.00514  384 PHE A O    
940  C  CB   . PHE A 65  ? 0.79633 0.66754 0.80266 0.04555  -0.10666 0.00132  384 PHE A CB   
941  C  CG   . PHE A 65  ? 0.63468 0.45799 0.61893 0.02813  -0.13823 0.01112  384 PHE A CG   
942  C  CD1  . PHE A 65  ? 1.20410 1.00536 1.22355 0.04117  -0.16097 0.01975  384 PHE A CD1  
943  C  CD2  . PHE A 65  ? 0.76564 0.57125 0.69811 -0.00000 -0.14383 0.01624  384 PHE A CD2  
944  C  CE1  . PHE A 65  ? 1.25198 1.01175 1.25305 0.02319  -0.19238 0.03695  384 PHE A CE1  
945  C  CE2  . PHE A 65  ? 0.96812 0.73974 0.87914 -0.01528 -0.16878 0.03545  384 PHE A CE2  
946  C  CZ   . PHE A 65  ? 0.92611 0.67345 0.87033 -0.00529 -0.19491 0.04765  384 PHE A CZ   
947  H  H    . PHE A 65  ? 0.91706 0.91706 0.91706 -0.00000 -0.00000 0.00000  384 PHE A H    
948  H  HA   . PHE A 65  ? 0.95183 0.95183 0.95183 -0.00000 -0.00000 0.00000  384 PHE A HA   
949  H  HB2  . PHE A 65  ? 0.90718 0.90718 0.90718 -0.00000 -0.00000 -0.00000 384 PHE A HB2  
950  H  HB3  . PHE A 65  ? 0.90718 0.90718 0.90718 -0.00000 -0.00000 -0.00000 384 PHE A HB3  
951  H  HD1  . PHE A 65  ? 1.37377 1.37377 1.37377 -0.00000 -0.00000 0.00000  384 PHE A HD1  
952  H  HD2  . PHE A 65  ? 0.81457 0.81457 0.81457 -0.00000 -0.00000 0.00000  384 PHE A HD2  
953  H  HE1  . PHE A 65  ? 1.40728 1.40728 1.40728 -0.00000 -0.00000 0.00000  384 PHE A HE1  
954  H  HE2  . PHE A 65  ? 1.03537 1.03537 1.03537 0.00000  -0.00000 -0.00000 384 PHE A HE2  
955  H  HZ   . PHE A 65  ? 0.98853 0.98853 0.98853 -0.00000 -0.00000 -0.00000 384 PHE A HZ   
956  N  N    . PRO A 66  ? 0.63399 0.64576 0.78591 0.05913  -0.07797 0.04686  385 PRO A N    
957  C  CA   . PRO A 66  ? 0.60014 0.67250 0.78746 0.06824  -0.04732 0.06111  385 PRO A CA   
958  C  C    . PRO A 66  ? 0.54990 0.65626 0.73952 0.10652  -0.00759 0.05863  385 PRO A C    
959  O  O    . PRO A 66  ? 0.66122 0.80314 0.83207 0.11501  0.02210  0.05970  385 PRO A O    
960  C  CB   . PRO A 66  ? 0.58932 0.69721 0.87237 0.06168  -0.06859 0.09633  385 PRO A CB   
961  C  CG   . PRO A 66  ? 0.80967 0.86350 1.07900 0.04374  -0.11640 0.08884  385 PRO A CG   
962  C  CD   . PRO A 66  ? 0.53584 0.54321 0.74294 0.05174  -0.11429 0.06749  385 PRO A CD   
963  H  HA   . PRO A 66  ? 0.82461 0.82461 0.82461 0.00000  -0.00000 -0.00000 385 PRO A HA   
964  H  HB2  . PRO A 66  ? 0.86413 0.86413 0.86413 -0.00000 -0.00000 -0.00000 385 PRO A HB2  
965  H  HB3  . PRO A 66  ? 0.86413 0.86413 0.86413 -0.00000 -0.00000 -0.00000 385 PRO A HB3  
966  H  HG2  . PRO A 66  ? 1.10144 1.10144 1.10144 -0.00000 0.00000  0.00000  385 PRO A HG2  
967  H  HG3  . PRO A 66  ? 1.10144 1.10144 1.10144 -0.00000 0.00000  0.00000  385 PRO A HG3  
968  H  HD2  . PRO A 66  ? 0.72937 0.72937 0.72937 -0.00000 -0.00000 0.00000  385 PRO A HD2  
969  H  HD3  . PRO A 66  ? 0.72937 0.72937 0.72937 -0.00000 -0.00000 0.00000  385 PRO A HD3  
970  N  N    . THR A 67  ? 0.56104 0.65781 0.77018 0.13320  -0.00771 0.05393  386 THR A N    
971  C  CA   . THR A 67  ? 0.62071 0.75286 0.83010 0.17989  0.03044  0.04552  386 THR A CA   
972  C  C    . THR A 67  ? 0.62788 0.71071 0.74485 0.19419  0.03338  -0.00067 386 THR A C    
973  O  O    . THR A 67  ? 1.22219 1.33271 1.31176 0.23469  0.06483  -0.01648 386 THR A O    
974  C  CB   . THR A 67  ? 0.77269 0.91615 1.05281 0.20809  0.02702  0.05603  386 THR A CB   
975  O  OG1  . THR A 67  ? 0.80260 0.86962 1.05606 0.19737  -0.01245 0.03236  386 THR A OG1  
976  C  CG2  . THR A 67  ? 0.78503 0.97450 1.17128 0.19343  0.01593  0.10493  386 THR A CG2  
977  H  H    . THR A 67  ? 0.79618 0.79618 0.79618 -0.00000 -0.00000 -0.00000 386 THR A H    
978  H  HA   . THR A 67  ? 0.88204 0.88204 0.88204 0.00000  -0.00000 0.00000  386 THR A HA   
979  H  HB   . THR A 67  ? 1.09723 1.09723 1.09723 -0.00000 -0.00000 0.00000  386 THR A HB   
980  H  HG1  . THR A 67  ? 1.09188 1.09188 1.09188 0.00000  0.00000  -0.00000 386 THR A HG1  
981  H  HG21 . THR A 67  ? 1.17289 1.17289 1.17289 0.00000  -0.00000 0.00000  386 THR A HG21 
982  H  HG22 . THR A 67  ? 1.17289 1.17289 1.17289 0.00000  -0.00000 0.00000  386 THR A HG22 
983  H  HG23 . THR A 67  ? 1.17289 1.17289 1.17289 0.00000  -0.00000 0.00000  386 THR A HG23 
984  N  N    . LYS A 68  ? 0.94842 0.96101 1.01885 0.16423  -0.00045 -0.02050 387 LYS A N    
985  C  CA   . LYS A 68  ? 1.02086 0.97994 1.02341 0.17386  -0.00900 -0.05957 387 LYS A CA   
986  C  C    . LYS A 68  ? 0.60914 0.56539 0.55580 0.15423  -0.00132 -0.06894 387 LYS A C    
987  O  O    . LYS A 68  ? 1.33432 1.28061 1.23261 0.17903  0.00718  -0.09708 387 LYS A O    
988  C  CB   . LYS A 68  ? 1.27042 1.15981 1.26858 0.15160  -0.05076 -0.06563 387 LYS A CB   
989  C  CG   . LYS A 68  ? 1.33057 1.21149 1.38441 0.17029  -0.06706 -0.05831 387 LYS A CG   
990  C  CD   . LYS A 68  ? 1.41693 1.23077 1.46485 0.14436  -0.11084 -0.05563 387 LYS A CD   
991  C  CE   . LYS A 68  ? 1.45231 1.25416 1.56059 0.16136  -0.13299 -0.04630 387 LYS A CE   
992  N  NZ   . LYS A 68  ? 1.30944 1.04920 1.41427 0.13403  -0.17796 -0.03445 387 LYS A NZ   
993  H  H    . LYS A 68  ? 1.17188 1.17188 1.17188 0.00000  -0.00000 -0.00000 387 LYS A H    
994  H  HA   . LYS A 68  ? 1.21026 1.21026 1.21026 0.00000  -0.00000 0.00000  387 LYS A HA   
995  H  HB2  . LYS A 68  ? 1.48009 1.48009 1.48009 0.00000  -0.00000 -0.00000 387 LYS A HB2  
996  H  HB3  . LYS A 68  ? 1.48009 1.48009 1.48009 0.00000  -0.00000 -0.00000 387 LYS A HB3  
997  H  HG2  . LYS A 68  ? 1.57116 1.57116 1.57116 0.00000  -0.00000 0.00000  387 LYS A HG2  
998  H  HG3  . LYS A 68  ? 1.57116 1.57116 1.57116 0.00000  -0.00000 0.00000  387 LYS A HG3  
999  H  HD2  . LYS A 68  ? 1.64559 1.64559 1.64559 -0.00000 -0.00000 0.00000  387 LYS A HD2  
1000 H  HD3  . LYS A 68  ? 1.64559 1.64559 1.64559 -0.00000 -0.00000 0.00000  387 LYS A HD3  
1001 H  HE2  . LYS A 68  ? 1.70740 1.70740 1.70740 -0.00000 -0.00000 0.00000  387 LYS A HE2  
1002 H  HE3  . LYS A 68  ? 1.70740 1.70740 1.70740 -0.00000 -0.00000 0.00000  387 LYS A HE3  
1003 H  HZ1  . LYS A 68  ? 1.50974 1.50974 1.50974 0.00000  -0.00000 -0.00000 387 LYS A HZ1  
1004 H  HZ2  . LYS A 68  ? 1.50974 1.50974 1.50974 0.00000  -0.00000 -0.00000 387 LYS A HZ2  
1005 H  HZ3  . LYS A 68  ? 1.50974 1.50974 1.50974 0.00000  -0.00000 -0.00000 387 LYS A HZ3  
1006 N  N    . VAL A 69  ? 1.06969 1.03200 1.02179 0.11319  -0.00801 -0.04895 388 VAL A N    
1007 C  CA   . VAL A 69  ? 0.63493 0.59084 0.54552 0.09046  -0.00545 -0.05658 388 VAL A CA   
1008 C  C    . VAL A 69  ? 0.55650 0.57144 0.49982 0.07840  0.01191  -0.02992 388 VAL A C    
1009 O  O    . VAL A 69  ? 0.56487 0.60145 0.56023 0.06538  0.00375  -0.00589 388 VAL A O    
1010 C  CB   . VAL A 69  ? 0.98713 0.89278 0.87687 0.05331  -0.03195 -0.05961 388 VAL A CB   
1011 C  CG1  . VAL A 69  ? 0.63918 0.53685 0.49487 0.03444  -0.02914 -0.06979 388 VAL A CG1  
1012 C  CG2  . VAL A 69  ? 1.28850 1.13949 1.17007 0.06054  -0.05591 -0.07185 388 VAL A CG2  
1013 H  H    . VAL A 69  ? 1.24996 1.24996 1.24996 -0.00000 0.00000  0.00000  388 VAL A H    
1014 H  HA   . VAL A 69  ? 0.70909 0.70909 0.70909 0.00000  0.00000  -0.00000 388 VAL A HA   
1015 H  HB   . VAL A 69  ? 1.10328 1.10328 1.10328 0.00000  -0.00000 -0.00000 388 VAL A HB   
1016 H  HG11 . VAL A 69  ? 0.66893 0.66893 0.66893 -0.00000 0.00000  0.00000  388 VAL A HG11 
1017 H  HG12 . VAL A 69  ? 0.66893 0.66893 0.66893 -0.00000 0.00000  0.00000  388 VAL A HG12 
1018 H  HG13 . VAL A 69  ? 0.66893 0.66893 0.66893 -0.00000 0.00000  0.00000  388 VAL A HG13 
1019 H  HG21 . VAL A 69  ? 1.43980 1.43980 1.43980 0.00000  -0.00000 -0.00000 388 VAL A HG21 
1020 H  HG22 . VAL A 69  ? 1.43980 1.43980 1.43980 0.00000  -0.00000 -0.00000 388 VAL A HG22 
1021 H  HG23 . VAL A 69  ? 1.43980 1.43980 1.43980 0.00000  -0.00000 -0.00000 388 VAL A HG23 
1022 N  N    . GLY A 70  ? 0.60638 0.64361 0.52320 0.08259  0.02909  -0.03320 389 GLY A N    
1023 C  CA   . GLY A 70  ? 0.49436 0.58251 0.44793 0.06609  0.03890  -0.00504 389 GLY A CA   
1024 C  C    . GLY A 70  ? 0.45253 0.51517 0.40488 0.02596  0.01703  -0.00918 389 GLY A C    
1025 O  O    . GLY A 70  ? 0.63341 0.64589 0.54884 0.01127  0.00170  -0.03051 389 GLY A O    
1026 H  H    . GLY A 70  ? 0.70985 0.70985 0.70985 -0.00000 0.00000  0.00000  389 GLY A H    
1027 H  HA2  . GLY A 70  ? 0.61049 0.61049 0.61049 0.00000  -0.00000 -0.00000 389 GLY A HA2  
1028 H  HA3  . GLY A 70  ? 0.61049 0.61049 0.61049 0.00000  -0.00000 -0.00000 389 GLY A HA3  
1029 N  N    . LYS A 71  ? 0.44620 0.54794 0.44723 0.00999  0.01524  0.01421  390 LYS A N    
1030 C  CA   . LYS A 71  ? 0.65139 0.73522 0.65797 -0.02123 -0.00553 0.00648  390 LYS A CA   
1031 C  C    . LYS A 71  ? 0.33028 0.41553 0.31221 -0.03175 0.00077  -0.00090 390 LYS A C    
1032 O  O    . LYS A 71  ? 0.52209 0.62150 0.47737 -0.01524 0.01796  0.00156  390 LYS A O    
1033 C  CB   . LYS A 71  ? 1.00874 1.12303 1.09132 -0.03161 -0.02434 0.02982  390 LYS A CB   
1034 C  CG   . LYS A 71  ? 0.99218 1.16988 1.14199 -0.02226 -0.01132 0.07000  390 LYS A CG   
1035 C  CD   . LYS A 71  ? 1.17643 1.37625 1.42044 -0.03355 -0.04184 0.09572  390 LYS A CD   
1036 C  CE   . LYS A 71  ? 1.16891 1.44118 1.50011 -0.02573 -0.02807 0.14993  390 LYS A CE   
1037 N  NZ   . LYS A 71  ? 1.15394 1.44358 1.59695 -0.03827 -0.06802 0.17908  390 LYS A NZ   
1038 H  H    . LYS A 71  ? 0.57712 0.57712 0.57712 0.00000  -0.00000 -0.00000 390 LYS A H    
1039 H  HA   . LYS A 71  ? 0.81841 0.81841 0.81841 -0.00000 -0.00000 0.00000  390 LYS A HA   
1040 H  HB2  . LYS A 71  ? 1.28980 1.28980 1.28980 -0.00000 -0.00000 -0.00000 390 LYS A HB2  
1041 H  HB3  . LYS A 71  ? 1.28980 1.28980 1.28980 -0.00000 -0.00000 -0.00000 390 LYS A HB3  
1042 H  HG2  . LYS A 71  ? 1.32219 1.32219 1.32219 0.00000  -0.00000 0.00000  390 LYS A HG2  
1043 H  HG3  . LYS A 71  ? 1.32219 1.32219 1.32219 0.00000  -0.00000 0.00000  390 LYS A HG3  
1044 H  HD2  . LYS A 71  ? 1.58982 1.58982 1.58982 -0.00000 -0.00000 -0.00000 390 LYS A HD2  
1045 H  HD3  . LYS A 71  ? 1.58982 1.58982 1.58982 -0.00000 -0.00000 -0.00000 390 LYS A HD3  
1046 H  HE2  . LYS A 71  ? 1.64465 1.64465 1.64465 -0.00000 -0.00000 0.00000  390 LYS A HE2  
1047 H  HE3  . LYS A 71  ? 1.64465 1.64465 1.64465 -0.00000 -0.00000 0.00000  390 LYS A HE3  
1048 H  HZ1  . LYS A 71  ? 1.67836 1.67836 1.67836 -0.00000 -0.00000 0.00000  390 LYS A HZ1  
1049 H  HZ2  . LYS A 71  ? 1.67836 1.67836 1.67836 -0.00000 -0.00000 0.00000  390 LYS A HZ2  
1050 H  HZ3  . LYS A 71  ? 1.67836 1.67836 1.67836 -0.00000 -0.00000 0.00000  390 LYS A HZ3  
1051 N  N    . ALA A 72  ? 0.67786 0.74821 0.66625 -0.05636 -0.01487 -0.01171 391 ALA A N    
1052 C  CA   . ALA A 72  ? 0.33792 0.40768 0.31599 -0.06938 -0.01407 -0.01770 391 ALA A CA   
1053 C  C    . ALA A 72  ? 0.44988 0.56995 0.47364 -0.06849 -0.01020 0.01235  391 ALA A C    
1054 O  O    . ALA A 72  ? 0.34187 0.50029 0.42302 -0.06353 -0.01165 0.04059  391 ALA A O    
1055 C  CB   . ALA A 72  ? 0.62100 0.67165 0.60807 -0.09157 -0.02921 -0.03514 391 ALA A CB   
1056 H  H    . ALA A 72  ? 0.83750 0.83750 0.83750 -0.00000 -0.00000 -0.00000 391 ALA A H    
1057 H  HA   . ALA A 72  ? 0.42520 0.42520 0.42520 -0.00000 -0.00000 -0.00000 391 ALA A HA   
1058 H  HB1  . ALA A 72  ? 0.76086 0.76086 0.76086 -0.00000 -0.00000 -0.00000 391 ALA A HB1  
1059 H  HB2  . ALA A 72  ? 0.76086 0.76086 0.76086 -0.00000 -0.00000 -0.00000 391 ALA A HB2  
1060 H  HB3  . ALA A 72  ? 0.76086 0.76086 0.76086 -0.00000 -0.00000 -0.00000 391 ALA A HB3  
1061 N  N    . CYS A 73  ? 0.29202 0.41295 0.29698 -0.07474 -0.00842 0.01157  392 CYS A N    
1062 C  CA   . CYS A 73  ? 0.44699 0.61743 0.48454 -0.07359 -0.00343 0.04666  392 CYS A CA   
1063 C  C    . CYS A 73  ? 0.26542 0.43631 0.34811 -0.10141 -0.02600 0.04851  392 CYS A C    
1064 O  O    . CYS A 73  ? 0.36099 0.49333 0.41893 -0.11439 -0.03549 0.01933  392 CYS A O    
1065 C  CB   . CYS A 73  ? 0.42441 0.59819 0.39011 -0.04962 0.01578  0.04667  392 CYS A CB   
1066 S  SG   . CYS A 73  ? 0.83672 1.09216 0.82335 -0.03078 0.03898  0.10324  392 CYS A SG   
1067 H  H    . CYS A 73  ? 0.39793 0.39793 0.39793 0.00000  -0.00000 0.00000  392 CYS A H    
1068 H  HA   . CYS A 73  ? 0.62015 0.62015 0.62015 0.00000  -0.00000 -0.00000 392 CYS A HA   
1069 H  HB2  . CYS A 73  ? 0.56565 0.56565 0.56565 -0.00000 -0.00000 0.00000  392 CYS A HB2  
1070 H  HB3  . CYS A 73  ? 0.56565 0.56565 0.56565 -0.00000 -0.00000 0.00000  392 CYS A HB3  
1071 N  N    . CYS A 74  ? 0.65288 0.32922 0.55380 -0.01365 -0.05639 -0.02006 393 CYS A N    
1072 C  CA   . CYS A 74  ? 0.68954 0.36956 0.57429 -0.01110 -0.04280 -0.02975 393 CYS A CA   
1073 C  C    . CYS A 74  ? 0.57208 0.27924 0.47937 0.00469  -0.02706 -0.03721 393 CYS A C    
1074 O  O    . CYS A 74  ? 0.78002 0.50184 0.71338 0.01561  -0.02641 -0.03277 393 CYS A O    
1075 C  CB   . CYS A 74  ? 0.61996 0.28433 0.50013 -0.01547 -0.05499 -0.02436 393 CYS A CB   
1076 S  SG   . CYS A 74  ? 0.65982 0.31192 0.51366 -0.00772 -0.04410 -0.03663 393 CYS A SG   
1077 H  H    . CYS A 74  ? 0.61493 0.61493 0.61493 0.00000  -0.00000 -0.00000 393 CYS A H    
1078 H  HA   . CYS A 74  ? 0.65393 0.65393 0.65393 0.00000  -0.00000 -0.00000 393 CYS A HA   
1079 H  HB2  . CYS A 74  ? 0.56234 0.56234 0.56234 0.00000  -0.00000 -0.00000 393 CYS A HB2  
1080 H  HB3  . CYS A 74  ? 0.56234 0.56234 0.56234 0.00000  -0.00000 -0.00000 393 CYS A HB3  
1081 N  N    . VAL A 75  ? 0.62957 0.34761 0.52774 0.00525  -0.01515 -0.04547 394 VAL A N    
1082 C  CA   . VAL A 75  ? 0.63444 0.37515 0.55030 0.01773  -0.00594 -0.05223 394 VAL A CA   
1083 C  C    . VAL A 75  ? 0.53317 0.29166 0.44050 0.02161  0.00850  -0.05861 394 VAL A C    
1084 O  O    . VAL A 75  ? 0.60552 0.36086 0.49119 0.01620  0.01418  -0.05839 394 VAL A O    
1085 C  CB   . VAL A 75  ? 0.67543 0.41219 0.59564 0.01359  -0.01387 -0.05329 394 VAL A CB   
1086 C  CG1  . VAL A 75  ? 0.62356 0.34436 0.55328 0.02212  -0.02561 -0.04922 394 VAL A CG1  
1087 C  CG2  . VAL A 75  ? 0.71455 0.44506 0.61906 -0.00741 -0.01718 -0.04774 394 VAL A CG2  
1088 H  H    . VAL A 75  ? 0.60254 0.60254 0.60254 0.00000  -0.00000 -0.00000 394 VAL A H    
1089 H  HA   . VAL A 75  ? 0.62452 0.62452 0.62452 0.00000  0.00000  0.00000  394 VAL A HA   
1090 H  HB   . VAL A 75  ? 0.67387 0.67387 0.67387 -0.00000 0.00000  -0.00000 394 VAL A HB   
1091 H  HG11 . VAL A 75  ? 0.60905 0.60905 0.60905 0.00000  -0.00000 -0.00000 394 VAL A HG11 
1092 H  HG12 . VAL A 75  ? 0.60905 0.60905 0.60905 0.00000  -0.00000 -0.00000 394 VAL A HG12 
1093 H  HG13 . VAL A 75  ? 0.60905 0.60905 0.60905 0.00000  -0.00000 -0.00000 394 VAL A HG13 
1094 H  HG21 . VAL A 75  ? 0.71204 0.71204 0.71204 -0.00000 0.00000  0.00000  394 VAL A HG21 
1095 H  HG22 . VAL A 75  ? 0.71204 0.71204 0.71204 -0.00000 0.00000  0.00000  394 VAL A HG22 
1096 H  HG23 . VAL A 75  ? 0.71204 0.71204 0.71204 -0.00000 0.00000  0.00000  394 VAL A HG23 
1097 N  N    . PRO A 76  ? 0.57793 0.35691 0.49944 0.03446  0.01528  -0.06365 395 PRO A N    
1098 C  CA   . PRO A 76  ? 0.59629 0.39924 0.51620 0.04098  0.02772  -0.06758 395 PRO A CA   
1099 C  C    . PRO A 76  ? 0.60027 0.42427 0.52291 0.02699  0.02914  -0.06363 395 PRO A C    
1100 O  O    . PRO A 76  ? 0.55975 0.38311 0.49223 0.01531  0.01744  -0.06156 395 PRO A O    
1101 C  CB   . PRO A 76  ? 0.53116 0.34952 0.46658 0.05558  0.02893  -0.07115 395 PRO A CB   
1102 C  CG   . PRO A 76  ? 0.66703 0.46888 0.60673 0.06074  0.02346  -0.06770 395 PRO A CG   
1103 C  CD   . PRO A 76  ? 0.46953 0.25268 0.40652 0.04791  0.01341  -0.06399 395 PRO A CD   
1104 H  HA   . PRO A 76  ? 0.60526 0.60526 0.60526 0.00000  0.00000  -0.00000 395 PRO A HA   
1105 H  HB2  . PRO A 76  ? 0.53947 0.53947 0.53947 0.00000  -0.00000 -0.00000 395 PRO A HB2  
1106 H  HB3  . PRO A 76  ? 0.53947 0.53947 0.53947 0.00000  -0.00000 -0.00000 395 PRO A HB3  
1107 H  HG2  . PRO A 76  ? 0.69763 0.69763 0.69763 0.00000  -0.00000 -0.00000 395 PRO A HG2  
1108 H  HG3  . PRO A 76  ? 0.69763 0.69763 0.69763 0.00000  -0.00000 -0.00000 395 PRO A HG3  
1109 H  HD2  . PRO A 76  ? 0.45207 0.45207 0.45207 -0.00000 -0.00000 -0.00000 395 PRO A HD2  
1110 H  HD3  . PRO A 76  ? 0.45207 0.45207 0.45207 -0.00000 -0.00000 -0.00000 395 PRO A HD3  
1111 N  N    . THR A 77  ? 0.41752 0.25909 0.32934 0.02905  0.04287  -0.06103 396 THR A N    
1112 C  CA   . THR A 77  ? 0.54028 0.41758 0.46129 0.01538  0.04859  -0.05024 396 THR A CA   
1113 C  C    . THR A 77  ? 0.51467 0.44300 0.45812 0.02779  0.06103  -0.04781 396 THR A C    
1114 O  O    . THR A 77  ? 0.53849 0.51082 0.50138 0.01465  0.06523  -0.03353 396 THR A O    
1115 C  CB   . THR A 77  ? 0.48378 0.35479 0.37510 0.01026  0.05861  -0.04371 396 THR A CB   
1116 O  OG1  . THR A 77  ? 0.55635 0.41686 0.42002 0.03511  0.07262  -0.05348 396 THR A OG1  
1117 C  CG2  . THR A 77  ? 0.55128 0.37612 0.42473 -0.00548 0.04162  -0.04214 396 THR A CG2  
1118 H  H    . THR A 77  ? 0.40295 0.40295 0.40295 -0.00000 -0.00000 0.00000  396 THR A H    
1119 H  HA   . THR A 77  ? 0.56823 0.56823 0.56823 -0.00000 -0.00000 0.00000  396 THR A HA   
1120 H  HB   . THR A 77  ? 0.48604 0.48604 0.48604 -0.00000 -0.00000 0.00000  396 THR A HB   
1121 H  HG1  . THR A 77  ? 0.55786 0.55786 0.55786 0.00000  -0.00000 -0.00000 396 THR A HG1  
1122 H  HG21 . THR A 77  ? 0.54142 0.54142 0.54142 0.00000  -0.00000 -0.00000 396 THR A HG21 
1123 H  HG22 . THR A 77  ? 0.54142 0.54142 0.54142 0.00000  -0.00000 -0.00000 396 THR A HG22 
1124 H  HG23 . THR A 77  ? 0.54142 0.54142 0.54142 0.00000  -0.00000 -0.00000 396 THR A HG23 
1125 N  N    . LYS A 78  ? 0.45771 0.38442 0.40209 0.05151  0.06561  -0.05764 397 LYS A N    
1126 C  CA   . LYS A 78  ? 0.66200 0.63584 0.63048 0.06647  0.07360  -0.05487 397 LYS A CA   
1127 C  C    . LYS A 78  ? 0.67024 0.62364 0.63787 0.08456  0.06764  -0.06489 397 LYS A C    
1128 O  O    . LYS A 78  ? 0.55963 0.47133 0.50398 0.09457  0.06799  -0.07208 397 LYS A O    
1129 C  CB   . LYS A 78  ? 0.50737 0.51091 0.46636 0.08769  0.09742  -0.05142 397 LYS A CB   
1130 C  CG   . LYS A 78  ? 0.74537 0.80732 0.73589 0.10732  0.10663  -0.04514 397 LYS A CG   
1131 C  CD   . LYS A 78  ? 1.13167 1.22519 1.10956 0.13610  0.13404  -0.04160 397 LYS A CD   
1132 C  CE   . LYS A 78  ? 1.09607 1.25478 1.11160 0.16054  0.14342  -0.03285 397 LYS A CE   
1133 N  NZ   . LYS A 78  ? 1.41788 1.54309 1.42866 0.18106  0.13215  -0.04575 397 LYS A NZ   
1134 H  H    . LYS A 78  ? 0.49826 0.49826 0.49826 -0.00000 -0.00000 -0.00000 397 LYS A H    
1135 H  HA   . LYS A 78  ? 0.77190 0.77190 0.77190 -0.00000 -0.00000 -0.00000 397 LYS A HA   
1136 H  HB2  . LYS A 78  ? 0.59443 0.59443 0.59443 0.00000  -0.00000 -0.00000 397 LYS A HB2  
1137 H  HB3  . LYS A 78  ? 0.59443 0.59443 0.59443 0.00000  -0.00000 -0.00000 397 LYS A HB3  
1138 H  HG2  . LYS A 78  ? 0.91600 0.91600 0.91600 -0.00000 -0.00000 0.00000  397 LYS A HG2  
1139 H  HG3  . LYS A 78  ? 0.91600 0.91600 0.91600 -0.00000 -0.00000 0.00000  397 LYS A HG3  
1140 H  HD2  . LYS A 78  ? 1.38714 1.38714 1.38714 0.00000  -0.00000 -0.00000 397 LYS A HD2  
1141 H  HD3  . LYS A 78  ? 1.38714 1.38714 1.38714 0.00000  -0.00000 -0.00000 397 LYS A HD3  
1142 H  HE2  . LYS A 78  ? 1.38555 1.38555 1.38555 -0.00000 -0.00000 0.00000  397 LYS A HE2  
1143 H  HE3  . LYS A 78  ? 1.38555 1.38555 1.38555 -0.00000 -0.00000 0.00000  397 LYS A HE3  
1144 H  HZ1  . LYS A 78  ? 1.75642 1.75642 1.75642 -0.00000 -0.00000 0.00000  397 LYS A HZ1  
1145 H  HZ2  . LYS A 78  ? 1.75642 1.75642 1.75642 -0.00000 -0.00000 0.00000  397 LYS A HZ2  
1146 H  HZ3  . LYS A 78  ? 1.75642 1.75642 1.75642 -0.00000 -0.00000 0.00000  397 LYS A HZ3  
1147 N  N    . LEU A 79  ? 0.57724 0.55978 0.56938 0.08594  0.05956  -0.06254 398 LEU A N    
1148 C  CA   . LEU A 79  ? 0.42712 0.39487 0.41644 0.10189  0.05353  -0.06859 398 LEU A CA   
1149 C  C    . LEU A 79  ? 0.44382 0.45097 0.45003 0.12301  0.05942  -0.06458 398 LEU A C    
1150 O  O    . LEU A 79  ? 0.78228 0.84055 0.81368 0.12143  0.06399  -0.05531 398 LEU A O    
1151 C  CB   . LEU A 79  ? 0.48739 0.44357 0.47851 0.08906  0.03472  -0.07141 398 LEU A CB   
1152 C  CG   . LEU A 79  ? 0.58527 0.50328 0.56161 0.07403  0.02769  -0.07489 398 LEU A CG   
1153 C  CD1  . LEU A 79  ? 0.37344 0.27739 0.34455 0.06731  0.00860  -0.07999 398 LEU A CD1  
1154 C  CD2  . LEU A 79  ? 0.62635 0.51247 0.58722 0.08497  0.03499  -0.07687 398 LEU A CD2  
1155 H  H    . LEU A 79  ? 0.68313 0.68313 0.68313 0.00000  0.00000  0.00000  398 LEU A H    
1156 H  HA   . LEU A 79  ? 0.49594 0.49594 0.49594 -0.00000 -0.00000 0.00000  398 LEU A HA   
1157 H  HB2  . LEU A 79  ? 0.56436 0.56436 0.56436 -0.00000 -0.00000 -0.00000 398 LEU A HB2  
1158 H  HB3  . LEU A 79  ? 0.56436 0.56436 0.56436 -0.00000 -0.00000 -0.00000 398 LEU A HB3  
1159 H  HG   . LEU A 79  ? 0.66063 0.66063 0.66063 0.00000  0.00000  0.00000  398 LEU A HG   
1160 H  HD11 . LEU A 79  ? 0.39872 0.39872 0.39872 0.00000  -0.00000 0.00000  398 LEU A HD11 
1161 H  HD12 . LEU A 79  ? 0.39872 0.39872 0.39872 0.00000  -0.00000 0.00000  398 LEU A HD12 
1162 H  HD13 . LEU A 79  ? 0.39872 0.39872 0.39872 0.00000  -0.00000 0.00000  398 LEU A HD13 
1163 H  HD21 . LEU A 79  ? 0.69098 0.69098 0.69098 0.00000  0.00000  0.00000  398 LEU A HD21 
1164 H  HD22 . LEU A 79  ? 0.69098 0.69098 0.69098 0.00000  0.00000  0.00000  398 LEU A HD22 
1165 H  HD23 . LEU A 79  ? 0.69098 0.69098 0.69098 0.00000  0.00000  0.00000  398 LEU A HD23 
1166 N  N    . SER A 80  ? 0.52499 0.51160 0.52015 0.14279  0.05873  -0.06806 399 SER A N    
1167 C  CA   . SER A 80  ? 0.54322 0.55602 0.54948 0.16738  0.06147  -0.06414 399 SER A CA   
1168 C  C    . SER A 80  ? 0.46720 0.47747 0.47399 0.16907  0.04636  -0.06289 399 SER A C    
1169 O  O    . SER A 80  ? 0.46989 0.44671 0.45880 0.16068  0.04037  -0.06632 399 SER A O    
1170 C  CB   . SER A 80  ? 0.40513 0.38335 0.38757 0.19048  0.07198  -0.06726 399 SER A CB   
1171 O  OG   . SER A 80  ? 0.63673 0.61232 0.60762 0.19109  0.08475  -0.07009 399 SER A OG   
1172 H  H    . SER A 80  ? 0.62326 0.62326 0.62326 -0.00000 -0.00000 0.00000  399 SER A H    
1173 H  HA   . SER A 80  ? 0.66005 0.66005 0.66005 0.00000  0.00000  -0.00000 399 SER A HA   
1174 H  HB2  . SER A 80  ? 0.47099 0.47099 0.47099 -0.00000 -0.00000 -0.00000 399 SER A HB2  
1175 H  HB3  . SER A 80  ? 0.47099 0.47099 0.47099 -0.00000 -0.00000 -0.00000 399 SER A HB3  
1176 H  HG   . SER A 80  ? 0.74323 0.74323 0.74323 0.00000  -0.00000 0.00000  399 SER A HG   
1177 N  N    . PRO A 81  ? 0.56329 0.61144 0.58891 0.18216  0.04046  -0.05649 400 PRO A N    
1178 C  CA   . PRO A 81  ? 0.49029 0.53432 0.50815 0.18526  0.02450  -0.05495 400 PRO A CA   
1179 C  C    . PRO A 81  ? 0.44370 0.45744 0.44125 0.20858  0.02912  -0.05148 400 PRO A C    
1180 O  O    . PRO A 81  ? 0.53004 0.52570 0.52227 0.22138  0.04005  -0.05012 400 PRO A O    
1181 C  CB   . PRO A 81  ? 0.45485 0.55760 0.50603 0.18578  0.01197  -0.04625 400 PRO A CB   
1182 C  CG   . PRO A 81  ? 0.36677 0.50412 0.44202 0.20280  0.03047  -0.04004 400 PRO A CG   
1183 C  CD   . PRO A 81  ? 0.50817 0.61347 0.56565 0.19432  0.04741  -0.04787 400 PRO A CD   
1184 H  HA   . PRO A 81  ? 0.61367 0.61367 0.61367 0.00000  0.00000  -0.00000 400 PRO A HA   
1185 H  HB2  . PRO A 81  ? 0.60796 0.60796 0.60796 0.00000  -0.00000 -0.00000 400 PRO A HB2  
1186 H  HB3  . PRO A 81  ? 0.60796 0.60796 0.60796 0.00000  -0.00000 -0.00000 400 PRO A HB3  
1187 H  HG2  . PRO A 81  ? 0.52232 0.52232 0.52232 0.00000  -0.00000 -0.00000 400 PRO A HG2  
1188 H  HG3  . PRO A 81  ? 0.52232 0.52232 0.52232 0.00000  -0.00000 -0.00000 400 PRO A HG3  
1189 H  HD2  . PRO A 81  ? 0.67549 0.67549 0.67549 -0.00000 -0.00000 0.00000  400 PRO A HD2  
1190 H  HD3  . PRO A 81  ? 0.67549 0.67549 0.67549 -0.00000 -0.00000 0.00000  400 PRO A HD3  
1191 N  N    . ILE A 82  ? 0.50550 0.50842 0.48619 0.21009  0.01829  -0.04860 401 ILE A N    
1192 C  CA   . ILE A 82  ? 0.43597 0.41895 0.40003 0.22955  0.01830  -0.03888 401 ILE A CA   
1193 C  C    . ILE A 82  ? 0.59751 0.60645 0.55984 0.23698  0.00130  -0.03352 401 ILE A C    
1194 O  O    . ILE A 82  ? 0.50269 0.53782 0.47330 0.22455  -0.01286 -0.03875 401 ILE A O    
1195 C  CB   . ILE A 82  ? 0.78530 0.72734 0.72401 0.22366  0.02468  -0.03414 401 ILE A CB   
1196 C  CG1  . ILE A 82  ? 0.70888 0.65500 0.63035 0.21519  0.01944  -0.03705 401 ILE A CG1  
1197 C  CG2  . ILE A 82  ? 0.56765 0.48596 0.51005 0.20568  0.03409  -0.03753 401 ILE A CG2  
1198 C  CD1  . ILE A 82  ? 0.53910 0.46311 0.44096 0.21553  0.02896  -0.02551 401 ILE A CD1  
1199 H  H    . ILE A 82  ? 0.60061 0.60061 0.60061 0.00000  0.00000  -0.00000 401 ILE A H    
1200 H  HA   . ILE A 82  ? 0.50255 0.50255 0.50255 0.00000  0.00000  -0.00000 401 ILE A HA   
1201 H  HB   . ILE A 82  ? 0.89523 0.89523 0.89523 -0.00000 0.00000  -0.00000 401 ILE A HB   
1202 H  HG12 . ILE A 82  ? 0.79826 0.79826 0.79826 -0.00000 -0.00000 -0.00000 401 ILE A HG12 
1203 H  HG13 . ILE A 82  ? 0.79826 0.79826 0.79826 -0.00000 -0.00000 -0.00000 401 ILE A HG13 
1204 H  HG21 . ILE A 82  ? 0.62604 0.62604 0.62604 0.00000  -0.00000 -0.00000 401 ILE A HG21 
1205 H  HG22 . ILE A 82  ? 0.62604 0.62604 0.62604 0.00000  -0.00000 -0.00000 401 ILE A HG22 
1206 H  HG23 . ILE A 82  ? 0.62604 0.62604 0.62604 0.00000  -0.00000 -0.00000 401 ILE A HG23 
1207 H  HD11 . ILE A 82  ? 0.57784 0.57784 0.57784 0.00000  -0.00000 0.00000  401 ILE A HD11 
1208 H  HD12 . ILE A 82  ? 0.57784 0.57784 0.57784 0.00000  -0.00000 0.00000  401 ILE A HD12 
1209 H  HD13 . ILE A 82  ? 0.57784 0.57784 0.57784 0.00000  -0.00000 0.00000  401 ILE A HD13 
1210 N  N    . SER A 83  ? 0.49914 0.49555 0.44744 0.25559  -0.00112 -0.02159 402 SER A N    
1211 C  CA   . SER A 83  ? 0.70085 0.71441 0.63761 0.26403  -0.01878 -0.01442 402 SER A CA   
1212 C  C    . SER A 83  ? 0.58761 0.57173 0.48309 0.26301  -0.01650 -0.00849 402 SER A C    
1213 O  O    . SER A 83  ? 0.64331 0.59823 0.52848 0.26381  -0.00252 0.00116  402 SER A O    
1214 C  CB   . SER A 83  ? 0.53161 0.55730 0.48129 0.28934  -0.02448 -0.00150 402 SER A CB   
1215 O  OG   . SER A 83  ? 0.72912 0.79187 0.71890 0.29666  -0.02155 -0.00473 402 SER A OG   
1216 H  H    . SER A 83  ? 0.57742 0.57742 0.57742 0.00000  -0.00000 -0.00000 402 SER A H    
1217 H  HA   . SER A 83  ? 0.82171 0.82171 0.82171 0.00000  0.00000  0.00000  402 SER A HA   
1218 H  HB2  . SER A 83  ? 0.62865 0.62865 0.62865 -0.00000 0.00000  0.00000  402 SER A HB2  
1219 H  HB3  . SER A 83  ? 0.62865 0.62865 0.62865 -0.00000 0.00000  0.00000  402 SER A HB3  
1220 H  HG   . SER A 83  ? 0.89653 0.89653 0.89653 -0.00000 -0.00000 0.00000  402 SER A HG   
1221 N  N    . VAL A 84  ? 0.63580 0.62817 0.50615 0.26088  -0.03115 -0.01295 403 VAL A N    
1222 C  CA   . VAL A 84  ? 0.77821 0.75045 0.60242 0.26717  -0.02657 -0.00617 403 VAL A CA   
1223 C  C    . VAL A 84  ? 0.75451 0.73599 0.54922 0.27971  -0.04818 -0.00050 403 VAL A C    
1224 O  O    . VAL A 84  ? 0.71166 0.71437 0.51835 0.27606  -0.07225 -0.00822 403 VAL A O    
1225 C  CB   . VAL A 84  ? 0.78157 0.74074 0.58410 0.25748  -0.01988 -0.02161 403 VAL A CB   
1226 C  CG1  . VAL A 84  ? 0.57068 0.52066 0.40121 0.24548  0.00013  -0.02285 403 VAL A CG1  
1227 C  CG2  . VAL A 84  ? 0.71573 0.68014 0.51359 0.24701  -0.04406 -0.04186 403 VAL A CG2  
1228 H  H    . VAL A 84  ? 0.70862 0.70862 0.70862 -0.00000 0.00000  0.00000  403 VAL A H    
1229 H  HA   . VAL A 84  ? 0.85300 0.85300 0.85300 -0.00000 -0.00000 -0.00000 403 VAL A HA   
1230 H  HB   . VAL A 84  ? 0.84313 0.84313 0.84313 -0.00000 0.00000  0.00000  403 VAL A HB   
1231 H  HG11 . VAL A 84  ? 0.59759 0.59759 0.59759 0.00000  -0.00000 0.00000  403 VAL A HG11 
1232 H  HG12 . VAL A 84  ? 0.59759 0.59759 0.59759 0.00000  -0.00000 0.00000  403 VAL A HG12 
1233 H  HG13 . VAL A 84  ? 0.59759 0.59759 0.59759 0.00000  -0.00000 0.00000  403 VAL A HG13 
1234 H  HG21 . VAL A 84  ? 0.76436 0.76436 0.76436 -0.00000 -0.00000 0.00000  403 VAL A HG21 
1235 H  HG22 . VAL A 84  ? 0.76436 0.76436 0.76436 -0.00000 -0.00000 0.00000  403 VAL A HG22 
1236 H  HG23 . VAL A 84  ? 0.76436 0.76436 0.76436 -0.00000 -0.00000 0.00000  403 VAL A HG23 
1237 N  N    . LEU A 85  ? 0.75627 0.72412 0.51261 0.29280  -0.04060 0.01674  404 LEU A N    
1238 C  CA   . LEU A 85  ? 0.84124 0.81109 0.55347 0.30634  -0.05937 0.02343  404 LEU A CA   
1239 C  C    . LEU A 85  ? 0.97325 0.92749 0.62590 0.31113  -0.05457 0.01272  404 LEU A C    
1240 O  O    . LEU A 85  ? 0.81671 0.76424 0.45150 0.31671  -0.02769 0.02379  404 LEU A O    
1241 C  CB   . LEU A 85  ? 0.70346 0.66771 0.40709 0.32019  -0.05427 0.05342  404 LEU A CB   
1242 C  CG   . LEU A 85  ? 0.75240 0.71950 0.41006 0.33515  -0.07629 0.06367  404 LEU A CG   
1243 C  CD1  . LEU A 85  ? 1.00996 0.99972 0.69250 0.33364  -0.10951 0.05149  404 LEU A CD1  
1244 C  CD2  . LEU A 85  ? 0.80586 0.76244 0.45373 0.34706  -0.07065 0.09750  404 LEU A CD2  
1245 H  H    . LEU A 85  ? 0.79777 0.79777 0.79777 0.00000  -0.00000 0.00000  404 LEU A H    
1246 H  HA   . LEU A 85  ? 0.88289 0.88289 0.88289 0.00000  0.00000  0.00000  404 LEU A HA   
1247 H  HB2  . LEU A 85  ? 0.71187 0.71187 0.71187 -0.00000 0.00000  -0.00000 404 LEU A HB2  
1248 H  HB3  . LEU A 85  ? 0.71187 0.71187 0.71187 -0.00000 0.00000  -0.00000 404 LEU A HB3  
1249 H  HG   . LEU A 85  ? 0.74994 0.74994 0.74994 -0.00000 -0.00000 -0.00000 404 LEU A HG   
1250 H  HD11 . LEU A 85  ? 1.08145 1.08145 1.08145 0.00000  0.00000  -0.00000 404 LEU A HD11 
1251 H  HD12 . LEU A 85  ? 1.08145 1.08145 1.08145 0.00000  0.00000  -0.00000 404 LEU A HD12 
1252 H  HD13 . LEU A 85  ? 1.08145 1.08145 1.08145 0.00000  0.00000  -0.00000 404 LEU A HD13 
1253 H  HD21 . LEU A 85  ? 0.80938 0.80938 0.80938 -0.00000 -0.00000 0.00000  404 LEU A HD21 
1254 H  HD22 . LEU A 85  ? 0.80938 0.80938 0.80938 -0.00000 -0.00000 0.00000  404 LEU A HD22 
1255 H  HD23 . LEU A 85  ? 0.80938 0.80938 0.80938 -0.00000 -0.00000 0.00000  404 LEU A HD23 
1256 N  N    . TYR A 86  ? 1.00796 0.95667 0.63067 0.30972  -0.08217 -0.00755 405 TYR A N    
1257 C  CA   . TYR A 86  ? 0.94524 0.86722 0.50143 0.31909  -0.08197 -0.02487 405 TYR A CA   
1258 C  C    . TYR A 86  ? 1.32525 1.23330 0.81347 0.33283  -0.11139 -0.02785 405 TYR A C    
1259 O  O    . TYR A 86  ? 1.18219 1.10328 0.68661 0.32562  -0.14353 -0.02453 405 TYR A O    
1260 C  CB   . TYR A 86  ? 1.14154 1.04784 0.70992 0.30235  -0.09293 -0.05300 405 TYR A CB   
1261 C  CG   . TYR A 86  ? 0.94590 0.85367 0.52597 0.28408  -0.13635 -0.06620 405 TYR A CG   
1262 C  CD1  . TYR A 86  ? 0.88900 0.83448 0.54435 0.26568  -0.14484 -0.05714 405 TYR A CD1  
1263 C  CD2  . TYR A 86  ? 1.00844 0.88022 0.52323 0.28554  -0.17018 -0.08631 405 TYR A CD2  
1264 C  CE1  . TYR A 86  ? 1.32403 1.28477 1.00099 0.24629  -0.18416 -0.06236 405 TYR A CE1  
1265 C  CE2  . TYR A 86  ? 1.30344 1.17824 0.83433 0.26217  -0.21579 -0.09387 405 TYR A CE2  
1266 C  CZ   . TYR A 86  ? 1.28717 1.21318 0.90516 0.24101  -0.22177 -0.07920 405 TYR A CZ   
1267 O  OH   . TYR A 86  ? 1.55658 1.49945 1.20141 0.21528  -0.26653 -0.07991 405 TYR A OH   
1268 H  H    . TYR A 86  ? 1.03869 1.03869 1.03869 -0.00000 0.00000  -0.00000 405 TYR A H    
1269 H  HA   . TYR A 86  ? 0.92612 0.92612 0.92612 -0.00000 0.00000  -0.00000 405 TYR A HA   
1270 H  HB2  . TYR A 86  ? 1.16029 1.16029 1.16029 0.00000  -0.00000 0.00000  405 TYR A HB2  
1271 H  HB3  . TYR A 86  ? 1.16029 1.16029 1.16029 0.00000  -0.00000 0.00000  405 TYR A HB3  
1272 H  HD1  . TYR A 86  ? 0.90770 0.90770 0.90770 0.00000  -0.00000 0.00000  405 TYR A HD1  
1273 H  HD2  . TYR A 86  ? 0.96532 0.96532 0.96532 0.00000  0.00000  -0.00000 405 TYR A HD2  
1274 H  HE1  . TYR A 86  ? 1.44448 1.44448 1.44448 -0.00000 -0.00000 -0.00000 405 TYR A HE1  
1275 H  HE2  . TYR A 86  ? 1.32697 1.32697 1.32697 0.00000  -0.00000 -0.00000 405 TYR A HE2  
1276 H  HH   . TYR A 86  ? 1.70354 1.70354 1.70354 0.00000  -0.00000 -0.00000 405 TYR A HH   
1277 N  N    . LYS A 87  ? 1.41376 1.29689 0.82358 0.35494  -0.10067 -0.03374 406 LYS A N    
1278 C  CA   . LYS A 87  ? 1.70001 1.56213 1.04541 0.36529  -0.12474 -0.03943 406 LYS A CA   
1279 C  C    . LYS A 87  ? 1.47364 1.30338 0.80394 0.34840  -0.16738 -0.07097 406 LYS A C    
1280 O  O    . LYS A 87  ? 1.39237 1.19660 0.72147 0.34227  -0.16580 -0.09320 406 LYS A O    
1281 C  CB   . LYS A 87  ? 1.74500 1.59568 1.04072 0.38813  -0.09126 -0.03494 406 LYS A CB   
1282 C  CG   . LYS A 87  ? 1.94415 1.82953 1.25564 0.39855  -0.05344 0.00299  406 LYS A CG   
1283 C  CD   . LYS A 87  ? 2.11026 1.99728 1.38126 0.42060  -0.02129 0.01102  406 LYS A CD   
1284 C  CE   . LYS A 87  ? 2.13019 2.05682 1.42607 0.42328  0.01408  0.05419  406 LYS A CE   
1285 N  NZ   . LYS A 87  ? 1.58455 1.51679 0.87646 0.41736  -0.00265 0.07798  406 LYS A NZ   
1286 H  H    . LYS A 87  ? 1.41426 1.41426 1.41426 -0.00000 -0.00000 -0.00000 406 LYS A H    
1287 H  HA   . LYS A 87  ? 1.72359 1.72359 1.72359 -0.00000 -0.00000 0.00000  406 LYS A HA   
1288 H  HB2  . LYS A 87  ? 1.75313 1.75313 1.75313 0.00000  -0.00000 -0.00000 406 LYS A HB2  
1289 H  HB3  . LYS A 87  ? 1.75313 1.75313 1.75313 0.00000  -0.00000 -0.00000 406 LYS A HB3  
1290 H  HG2  . LYS A 87  ? 2.01230 2.01230 2.01230 -0.00000 -0.00000 0.00000  406 LYS A HG2  
1291 H  HG3  . LYS A 87  ? 2.01230 2.01230 2.01230 -0.00000 -0.00000 0.00000  406 LYS A HG3  
1292 H  HD2  . LYS A 87  ? 2.19609 2.19609 2.19609 0.00000  -0.00000 -0.00000 406 LYS A HD2  
1293 H  HD3  . LYS A 87  ? 2.19609 2.19609 2.19609 0.00000  -0.00000 -0.00000 406 LYS A HD3  
1294 H  HE2  . LYS A 87  ? 2.24580 2.24580 2.24580 0.00000  -0.00000 -0.00000 406 LYS A HE2  
1295 H  HE3  . LYS A 87  ? 2.24580 2.24580 2.24580 0.00000  -0.00000 -0.00000 406 LYS A HE3  
1296 H  HZ1  . LYS A 87  ? 1.59169 1.59169 1.59169 0.00000  -0.00000 -0.00000 406 LYS A HZ1  
1297 H  HZ2  . LYS A 87  ? 1.59169 1.59169 1.59169 0.00000  -0.00000 -0.00000 406 LYS A HZ2  
1298 H  HZ3  . LYS A 87  ? 1.59169 1.59169 1.59169 0.00000  -0.00000 -0.00000 406 LYS A HZ3  
1299 N  N    . ASP A 88  ? 1.54292 1.37314 0.86624 0.33794  -0.20747 -0.06962 407 ASP A N    
1300 C  CA   . ASP A 88  ? 1.94903 1.74930 1.26107 0.31525  -0.25361 -0.09315 407 ASP A CA   
1301 C  C    . ASP A 88  ? 2.07505 1.81580 1.30931 0.32803  -0.25309 -0.11533 407 ASP A C    
1302 O  O    . ASP A 88  ? 2.24596 1.97934 1.43921 0.35682  -0.21681 -0.11046 407 ASP A O    
1303 C  CB   . ASP A 88  ? 1.77068 1.59605 1.10295 0.29975  -0.29644 -0.07966 407 ASP A CB   
1304 C  CG   . ASP A 88  ? 1.96855 1.79227 1.33443 0.26411  -0.34535 -0.09165 407 ASP A CG   
1305 O  OD1  . ASP A 88  ? 2.14682 1.94233 1.51525 0.25053  -0.34678 -0.11143 407 ASP A OD1  
1306 O  OD2  . ASP A 88  ? 1.72107 1.57478 1.11558 0.24785  -0.38248 -0.07778 407 ASP A OD2  
1307 H  H    . ASP A 88  ? 1.51349 1.51349 1.51349 0.00000  -0.00000 -0.00000 407 ASP A H    
1308 H  HA   . ASP A 88  ? 1.98433 1.98433 1.98433 -0.00000 -0.00000 -0.00000 407 ASP A HA   
1309 H  HB2  . ASP A 88  ? 1.78844 1.78844 1.78844 -0.00000 -0.00000 0.00000  407 ASP A HB2  
1310 H  HB3  . ASP A 88  ? 1.78844 1.78844 1.78844 -0.00000 -0.00000 0.00000  407 ASP A HB3  
1311 N  N    . ASP A 89  ? 2.15570 1.85548 1.37333 0.30648  -0.29485 -0.13695 408 ASP A N    
1312 C  CA   . ASP A 89  ? 2.25180 1.88604 1.39271 0.32126  -0.30028 -0.15893 408 ASP A CA   
1313 C  C    . ASP A 89  ? 2.05719 1.68192 1.13212 0.34520  -0.29843 -0.15225 408 ASP A C    
1314 O  O    . ASP A 89  ? 2.23192 1.81190 1.23837 0.37148  -0.28733 -0.16583 408 ASP A O    
1315 C  CB   . ASP A 89  ? 2.08185 1.66978 1.21744 0.28899  -0.35285 -0.17862 408 ASP A CB   
1316 C  CG   . ASP A 89  ? 2.28519 1.85315 1.45276 0.27582  -0.34745 -0.19161 408 ASP A CG   
1317 O  OD1  . ASP A 89  ? 2.01170 1.60720 1.21037 0.29048  -0.30439 -0.18590 408 ASP A OD1  
1318 O  OD2  . ASP A 89  ? 2.09354 1.61732 1.25547 0.24927  -0.38736 -0.20525 408 ASP A OD2  
1319 H  H    . ASP A 89  ? 2.15437 2.15437 2.15437 0.00000  -0.00000 -0.00000 408 ASP A H    
1320 H  HA   . ASP A 89  ? 2.21279 2.21279 2.21279 0.00000  -0.00000 -0.00000 408 ASP A HA   
1321 H  HB2  . ASP A 89  ? 1.98820 1.98820 1.98820 -0.00000 -0.00000 -0.00000 408 ASP A HB2  
1322 H  HB3  . ASP A 89  ? 1.98820 1.98820 1.98820 -0.00000 -0.00000 -0.00000 408 ASP A HB3  
1323 N  N    . MET A 90  ? 1.95311 1.61981 1.04726 0.33879  -0.30934 -0.12993 409 MET A N    
1324 C  CA   . MET A 90  ? 2.12349 1.78829 1.15997 0.36008  -0.30482 -0.11812 409 MET A CA   
1325 C  C    . MET A 90  ? 2.39523 2.11193 1.45691 0.37916  -0.25919 -0.08708 409 MET A C    
1326 O  O    . MET A 90  ? 2.18771 1.92217 1.23148 0.38566  -0.26211 -0.06613 409 MET A O    
1327 C  CB   . MET A 90  ? 2.36495 2.03062 1.39717 0.33647  -0.35971 -0.11370 409 MET A CB   
1328 C  CG   . MET A 90  ? 2.59005 2.20174 1.59696 0.31273  -0.40881 -0.14044 409 MET A CG   
1329 S  SD   . MET A 90  ? 2.78111 2.39492 1.77949 0.28362  -0.47615 -0.13293 409 MET A SD   
1330 C  CE   . MET A 90  ? 2.42975 1.96148 1.38551 0.26129  -0.52186 -0.16670 409 MET A CE   
1331 H  H    . MET A 90  ? 1.84865 1.84865 1.84865 -0.00000 0.00000  -0.00000 409 MET A H    
1332 H  HA   . MET A 90  ? 2.02927 2.02927 2.02927 0.00000  -0.00000 -0.00000 409 MET A HA   
1333 H  HB2  . MET A 90  ? 2.31767 2.31767 2.31767 0.00000  -0.00000 -0.00000 409 MET A HB2  
1334 H  HB3  . MET A 90  ? 2.31767 2.31767 2.31767 0.00000  -0.00000 -0.00000 409 MET A HB3  
1335 H  HG2  . MET A 90  ? 2.55607 2.55607 2.55607 0.00000  -0.00000 -0.00000 409 MET A HG2  
1336 H  HG3  . MET A 90  ? 2.55607 2.55607 2.55607 0.00000  -0.00000 -0.00000 409 MET A HG3  
1337 H  HE1  . MET A 90  ? 2.31126 2.31126 2.31126 0.00000  0.00000  -0.00000 409 MET A HE1  
1338 H  HE2  . MET A 90  ? 2.31126 2.31126 2.31126 0.00000  0.00000  -0.00000 409 MET A HE2  
1339 H  HE3  . MET A 90  ? 2.31126 2.31126 2.31126 0.00000  0.00000  -0.00000 409 MET A HE3  
1340 N  N    . GLY A 91  ? 2.30540 2.04463 1.40934 0.38596  -0.21891 -0.08172 410 GLY A N    
1341 C  CA   . GLY A 91  ? 2.19996 1.98261 1.32853 0.40110  -0.17456 -0.05068 410 GLY A CA   
1342 C  C    . GLY A 91  ? 2.01622 1.84209 1.20852 0.38670  -0.18247 -0.02449 410 GLY A C    
1343 O  O    . GLY A 91  ? 2.05714 1.91220 1.27092 0.39590  -0.14964 0.00457  410 GLY A O    
1344 H  H    . GLY A 91  ? 2.30432 2.30432 2.30432 0.00000  -0.00000 -0.00000 410 GLY A H    
1345 H  HA2  . GLY A 91  ? 2.20501 2.20501 2.20501 0.00000  -0.00000 -0.00000 410 GLY A HA2  
1346 H  HA3  . GLY A 91  ? 2.20501 2.20501 2.20501 0.00000  -0.00000 -0.00000 410 GLY A HA3  
1347 N  N    . VAL A 92  ? 1.80336 1.63573 1.03134 0.36441  -0.22558 -0.03082 411 VAL A N    
1348 C  CA   . VAL A 92  ? 1.59638 1.47252 0.89110 0.35605  -0.23605 -0.00544 411 VAL A CA   
1349 C  C    . VAL A 92  ? 1.52331 1.42502 0.88435 0.35371  -0.21111 0.00051  411 VAL A C    
1350 O  O    . VAL A 92  ? 1.35851 1.25746 0.74561 0.33993  -0.22138 -0.01989 411 VAL A O    
1351 C  CB   . VAL A 92  ? 1.36601 1.25351 0.68801 0.33392  -0.29052 -0.01039 411 VAL A CB   
1352 C  CG1  . VAL A 92  ? 1.36974 1.31045 0.77730 0.33020  -0.29669 0.01473  411 VAL A CG1  
1353 C  CG2  . VAL A 92  ? 1.65814 1.52318 0.91677 0.33545  -0.31822 -0.00990 411 VAL A CG2  
1354 H  H    . VAL A 92  ? 1.78874 1.78874 1.78874 -0.00000 -0.00000 -0.00000 411 VAL A H    
1355 H  HA   . VAL A 92  ? 1.58457 1.58457 1.58457 -0.00000 -0.00000 0.00000  411 VAL A HA   
1356 H  HB   . VAL A 92  ? 1.32358 1.32358 1.32358 -0.00000 -0.00000 -0.00000 411 VAL A HB   
1357 H  HG11 . VAL A 92  ? 1.38357 1.38357 1.38357 0.00000  -0.00000 0.00000  411 VAL A HG11 
1358 H  HG12 . VAL A 92  ? 1.38357 1.38357 1.38357 0.00000  -0.00000 0.00000  411 VAL A HG12 
1359 H  HG13 . VAL A 92  ? 1.38357 1.38357 1.38357 0.00000  -0.00000 0.00000  411 VAL A HG13 
1360 H  HG21 . VAL A 92  ? 1.63981 1.63981 1.63981 -0.00000 -0.00000 -0.00000 411 VAL A HG21 
1361 H  HG22 . VAL A 92  ? 1.63981 1.63981 1.63981 -0.00000 -0.00000 -0.00000 411 VAL A HG22 
1362 H  HG23 . VAL A 92  ? 1.63981 1.63981 1.63981 -0.00000 -0.00000 -0.00000 411 VAL A HG23 
1363 N  N    . PRO A 93  ? 1.76690 1.68922 1.15581 0.36440  -0.18021 0.02853  412 PRO A N    
1364 C  CA   . PRO A 93  ? 1.46811 1.40960 0.92082 0.36136  -0.16066 0.03493  412 PRO A CA   
1365 C  C    . PRO A 93  ? 1.26918 1.23841 0.79645 0.34337  -0.18825 0.02791  412 PRO A C    
1366 O  O    . PRO A 93  ? 0.96221 0.95344 0.51039 0.34715  -0.21435 0.04255  412 PRO A O    
1367 C  CB   . PRO A 93  ? 1.56539 1.51513 1.03423 0.37085  -0.13379 0.07027  412 PRO A CB   
1368 C  CG   . PRO A 93  ? 1.85080 1.78688 1.25274 0.38021  -0.12508 0.08015  412 PRO A CG   
1369 C  CD   . PRO A 93  ? 1.49107 1.41493 0.85313 0.37727  -0.16310 0.05756  412 PRO A CD   
1370 H  HA   . PRO A 93  ? 1.51998 1.51998 1.51998 -0.00000 -0.00000 -0.00000 412 PRO A HA   
1371 H  HB2  . PRO A 93  ? 1.64647 1.64647 1.64647 -0.00000 -0.00000 -0.00000 412 PRO A HB2  
1372 H  HB3  . PRO A 93  ? 1.64647 1.64647 1.64647 -0.00000 -0.00000 -0.00000 412 PRO A HB3  
1373 H  HG2  . PRO A 93  ? 1.95674 1.95674 1.95674 -0.00000 -0.00000 -0.00000 412 PRO A HG2  
1374 H  HG3  . PRO A 93  ? 1.95674 1.95674 1.95674 -0.00000 -0.00000 -0.00000 412 PRO A HG3  
1375 H  HD2  . PRO A 93  ? 1.50422 1.50422 1.50422 -0.00000 0.00000  -0.00000 412 PRO A HD2  
1376 H  HD3  . PRO A 93  ? 1.50422 1.50422 1.50422 -0.00000 0.00000  -0.00000 412 PRO A HD3  
1377 N  N    . THR A 94  ? 1.00275 0.97540 0.57126 0.32491  -0.18187 0.00791  413 THR A N    
1378 C  CA   . THR A 94  ? 0.99129 0.99766 0.63017 0.30568  -0.20465 0.00250  413 THR A CA   
1379 C  C    . THR A 94  ? 1.12951 1.15087 0.83457 0.29756  -0.17184 0.00237  413 THR A C    
1380 O  O    . THR A 94  ? 0.73081 0.72839 0.42248 0.29493  -0.14389 -0.00679 413 THR A O    
1381 C  CB   . THR A 94  ? 0.85719 0.84863 0.47226 0.28532  -0.24034 -0.02172 413 THR A CB   
1382 O  OG1  . THR A 94  ? 1.57990 1.55079 1.12569 0.29337  -0.27691 -0.02283 413 THR A OG1  
1383 C  CG2  . THR A 94  ? 1.07689 1.11432 0.77411 0.26036  -0.26174 -0.02017 413 THR A CG2  
1384 H  H    . THR A 94  ? 1.02033 1.02033 1.02033 -0.00000 -0.00000 -0.00000 413 THR A H    
1385 H  HA   . THR A 94  ? 1.04822 1.04822 1.04822 -0.00000 0.00000  -0.00000 413 THR A HA   
1386 H  HB   . THR A 94  ? 0.86838 0.86838 0.86838 -0.00000 -0.00000 0.00000  413 THR A HB   
1387 H  HG1  . THR A 94  ? 1.70312 1.70312 1.70312 -0.00000 -0.00000 0.00000  413 THR A HG1  
1388 H  HG21 . THR A 94  ? 1.18670 1.18670 1.18670 0.00000  -0.00000 0.00000  413 THR A HG21 
1389 H  HG22 . THR A 94  ? 1.18670 1.18670 1.18670 0.00000  -0.00000 0.00000  413 THR A HG22 
1390 H  HG23 . THR A 94  ? 1.18670 1.18670 1.18670 0.00000  -0.00000 0.00000  413 THR A HG23 
1391 N  N    . LEU A 95  ? 0.86937 0.93110 0.64309 0.29681  -0.17516 0.01342  414 LEU A N    
1392 C  CA   . LEU A 95  ? 0.75542 0.82834 0.58359 0.29204  -0.14639 0.01172  414 LEU A CA   
1393 C  C    . LEU A 95  ? 0.67467 0.76339 0.53321 0.26588  -0.15405 -0.00529 414 LEU A C    
1394 O  O    . LEU A 95  ? 0.72539 0.84730 0.60877 0.25227  -0.18522 -0.00469 414 LEU A O    
1395 C  CB   . LEU A 95  ? 0.69818 0.80423 0.57897 0.30969  -0.14333 0.02939  414 LEU A CB   
1396 C  CG   . LEU A 95  ? 1.04015 1.14530 0.96029 0.31032  -0.11237 0.02561  414 LEU A CG   
1397 C  CD1  . LEU A 95  ? 0.76232 0.81535 0.64716 0.31471  -0.08645 0.02824  414 LEU A CD1  
1398 C  CD2  . LEU A 95  ? 0.64217 0.78412 0.61366 0.33234  -0.11119 0.03783  414 LEU A CD2  
1399 H  H    . LEU A 95  ? 0.97799 0.97799 0.97799 -0.00000 -0.00000 -0.00000 414 LEU A H    
1400 H  HA   . LEU A 95  ? 0.86751 0.86751 0.86751 -0.00000 -0.00000 0.00000  414 LEU A HA   
1401 H  HB2  . LEU A 95  ? 0.83312 0.83312 0.83312 -0.00000 -0.00000 0.00000  414 LEU A HB2  
1402 H  HB3  . LEU A 95  ? 0.83312 0.83312 0.83312 -0.00000 -0.00000 0.00000  414 LEU A HB3  
1403 H  HG   . LEU A 95  ? 1.25887 1.25887 1.25887 0.00000  -0.00000 -0.00000 414 LEU A HG   
1404 H  HD11 . LEU A 95  ? 0.89050 0.89050 0.89050 -0.00000 -0.00000 0.00000  414 LEU A HD11 
1405 H  HD12 . LEU A 95  ? 0.89050 0.89050 0.89050 -0.00000 -0.00000 0.00000  414 LEU A HD12 
1406 H  HD13 . LEU A 95  ? 0.89050 0.89050 0.89050 -0.00000 -0.00000 0.00000  414 LEU A HD13 
1407 H  HD21 . LEU A 95  ? 0.81655 0.81655 0.81655 -0.00000 -0.00000 0.00000  414 LEU A HD21 
1408 H  HD22 . LEU A 95  ? 0.81655 0.81655 0.81655 -0.00000 -0.00000 0.00000  414 LEU A HD22 
1409 H  HD23 . LEU A 95  ? 0.81655 0.81655 0.81655 -0.00000 -0.00000 0.00000  414 LEU A HD23 
1410 N  N    . LYS A 96  ? 0.59507 0.66084 0.45322 0.25643  -0.12841 -0.01711 415 LYS A N    
1411 C  CA   . LYS A 96  ? 0.78751 0.86849 0.68308 0.23251  -0.12899 -0.02814 415 LYS A CA   
1412 C  C    . LYS A 96  ? 0.51775 0.62347 0.46539 0.23968  -0.10191 -0.01988 415 LYS A C    
1413 O  O    . LYS A 96  ? 0.59669 0.67310 0.53453 0.24555  -0.07468 -0.02208 415 LYS A O    
1414 C  CB   . LYS A 96  ? 0.67202 0.70773 0.52808 0.22068  -0.12098 -0.04664 415 LYS A CB   
1415 C  CG   . LYS A 96  ? 0.69607 0.73907 0.58687 0.19556  -0.11953 -0.05550 415 LYS A CG   
1416 C  CD   . LYS A 96  ? 0.74965 0.81927 0.66353 0.17102  -0.15712 -0.05500 415 LYS A CD   
1417 C  CE   . LYS A 96  ? 0.61598 0.69392 0.56458 0.14269  -0.15627 -0.05825 415 LYS A CE   
1418 N  NZ   . LYS A 96  ? 0.87952 1.00305 0.87248 0.11477  -0.18985 -0.04650 415 LYS A NZ   
1419 H  H    . LYS A 96  ? 0.68080 0.68080 0.68080 0.00000  -0.00000 -0.00000 415 LYS A H    
1420 H  HA   . LYS A 96  ? 0.93620 0.93620 0.93620 -0.00000 -0.00000 -0.00000 415 LYS A HA   
1421 H  HB2  . LYS A 96  ? 0.76370 0.76370 0.76370 0.00000  0.00000  0.00000  415 LYS A HB2  
1422 H  HB3  . LYS A 96  ? 0.76370 0.76370 0.76370 0.00000  0.00000  0.00000  415 LYS A HB3  
1423 H  HG2  . LYS A 96  ? 0.80937 0.80937 0.80937 -0.00000 0.00000  -0.00000 415 LYS A HG2  
1424 H  HG3  . LYS A 96  ? 0.80937 0.80937 0.80937 -0.00000 0.00000  -0.00000 415 LYS A HG3  
1425 H  HD2  . LYS A 96  ? 0.89355 0.89355 0.89355 0.00000  -0.00000 -0.00000 415 LYS A HD2  
1426 H  HD3  . LYS A 96  ? 0.89355 0.89355 0.89355 0.00000  -0.00000 -0.00000 415 LYS A HD3  
1427 H  HE2  . LYS A 96  ? 0.75036 0.75036 0.75036 -0.00000 -0.00000 -0.00000 415 LYS A HE2  
1428 H  HE3  . LYS A 96  ? 0.75036 0.75036 0.75036 -0.00000 -0.00000 -0.00000 415 LYS A HE3  
1429 H  HZ1  . LYS A 96  ? 1.10259 1.10259 1.10259 0.00000  -0.00000 -0.00000 415 LYS A HZ1  
1430 H  HZ2  . LYS A 96  ? 1.10259 1.10259 1.10259 0.00000  -0.00000 -0.00000 415 LYS A HZ2  
1431 H  HZ3  . LYS A 96  ? 1.10259 1.10259 1.10259 0.00000  -0.00000 -0.00000 415 LYS A HZ3  
1432 N  N    . TYR A 97  ? 0.63305 0.79355 0.63418 0.24108  -0.11046 -0.00917 416 TYR A N    
1433 C  CA   . TYR A 97  ? 0.52117 0.70162 0.55943 0.25999  -0.08446 -0.00172 416 TYR A CA   
1434 C  C    . TYR A 97  ? 0.46965 0.63712 0.51675 0.24590  -0.06047 -0.01257 416 TYR A C    
1435 O  O    . TYR A 97  ? 0.47971 0.61785 0.51766 0.25997  -0.03635 -0.01476 416 TYR A O    
1436 C  CB   . TYR A 97  ? 0.60266 0.85576 0.69855 0.27035  -0.09592 0.01425  416 TYR A CB   
1437 C  CG   . TYR A 97  ? 0.70956 0.97680 0.83065 0.30362  -0.06958 0.02101  416 TYR A CG   
1438 C  CD1  . TYR A 97  ? 0.63089 0.84793 0.71851 0.33175  -0.05918 0.02226  416 TYR A CD1  
1439 C  CD2  . TYR A 97  ? 0.73800 1.06532 0.91164 0.30818  -0.05583 0.02726  416 TYR A CD2  
1440 C  CE1  . TYR A 97  ? 0.50866 0.71178 0.60301 0.34719  -0.03760 0.02386  416 TYR A CE1  
1441 C  CE2  . TYR A 97  ? 0.66727 0.98996 0.84721 0.33566  -0.02989 0.02912  416 TYR A CE2  
1442 C  CZ   . TYR A 97  ? 0.49813 0.74947 0.63345 0.35008  -0.02307 0.02492  416 TYR A CZ   
1443 O  OH   . TYR A 97  ? 0.58390 0.81273 0.71306 0.36728  -0.00383 0.02315  416 TYR A OH   
1444 H  H    . TYR A 97  ? 0.82488 0.82488 0.82488 -0.00000 -0.00000 0.00000  416 TYR A H    
1445 H  HA   . TYR A 97  ? 0.71346 0.71346 0.71346 -0.00000 0.00000  0.00000  416 TYR A HA   
1446 H  HB2  . TYR A 97  ? 0.86336 0.86336 0.86336 0.00000  0.00000  0.00000  416 TYR A HB2  
1447 H  HB3  . TYR A 97  ? 0.86336 0.86336 0.86336 0.00000  0.00000  0.00000  416 TYR A HB3  
1448 H  HD1  . TYR A 97  ? 0.87950 0.87950 0.87950 -0.00000 -0.00000 -0.00000 416 TYR A HD1  
1449 H  HD2  . TYR A 97  ? 1.08655 1.08655 1.08655 -0.00000 -0.00000 -0.00000 416 TYR A HD2  
1450 H  HE1  . TYR A 97  ? 0.72653 0.72653 0.72653 0.00000  -0.00000 -0.00000 416 TYR A HE1  
1451 H  HE2  . TYR A 97  ? 1.00234 1.00234 1.00234 -0.00000 -0.00000 -0.00000 416 TYR A HE2  
1452 H  HH   . TYR A 97  ? 0.84444 0.84444 0.84444 -0.00000 -0.00000 0.00000  416 TYR A HH   
1453 N  N    . HIS A 98  ? 0.63614 0.81895 0.69704 0.21657  -0.07043 -0.01843 417 HIS A N    
1454 C  CA   . HIS A 98  ? 0.53055 0.70512 0.60087 0.20114  -0.05085 -0.02593 417 HIS A CA   
1455 C  C    . HIS A 98  ? 0.42106 0.55020 0.45483 0.17676  -0.06227 -0.04014 417 HIS A C    
1456 O  O    . HIS A 98  ? 0.46971 0.60982 0.51305 0.15055  -0.08389 -0.04159 417 HIS A O    
1457 C  CB   . HIS A 98  ? 0.56375 0.80692 0.69143 0.19063  -0.05027 -0.01370 417 HIS A CB   
1458 C  CG   . HIS A 98  ? 0.92125 1.20590 1.07999 0.22379  -0.02941 -0.00245 417 HIS A CG   
1459 N  ND1  . HIS A 98  ? 0.49395 0.73638 0.62596 0.25246  -0.00523 -0.00952 417 HIS A ND1  
1460 C  CD2  . HIS A 98  ? 0.39221 0.75554 0.60515 0.23513  -0.03030 0.01602  417 HIS A CD2  
1461 C  CE1  . HIS A 98  ? 0.58380 0.86750 0.74380 0.28391  0.00794  0.00021  417 HIS A CE1  
1462 N  NE2  . HIS A 98  ? 0.48578 0.84935 0.69819 0.27628  -0.00420 0.01672  417 HIS A NE2  
1463 H  H    . HIS A 98  ? 0.86142 0.86142 0.86142 0.00000  0.00000  -0.00000 417 HIS A H    
1464 H  HA   . HIS A 98  ? 0.73518 0.73518 0.73518 -0.00000 -0.00000 0.00000  417 HIS A HA   
1465 H  HB2  . HIS A 98  ? 0.82541 0.82541 0.82541 -0.00000 0.00000  -0.00000 417 HIS A HB2  
1466 H  HB3  . HIS A 98  ? 0.82541 0.82541 0.82541 -0.00000 0.00000  -0.00000 417 HIS A HB3  
1467 H  HD1  . HIS A 98  ? 0.74309 0.74309 0.74309 0.00000  -0.00000 -0.00000 417 HIS A HD1  
1468 H  HD2  . HIS A 98  ? 0.69831 0.69831 0.69831 -0.00000 0.00000  -0.00000 417 HIS A HD2  
1469 H  HE1  . HIS A 98  ? 0.87861 0.87861 0.87861 0.00000  -0.00000 0.00000  417 HIS A HE1  
1470 N  N    . TYR A 99  ? 0.51024 0.58806 0.50294 0.18609  -0.04872 -0.04863 418 TYR A N    
1471 C  CA   . TYR A 99  ? 0.73065 0.76575 0.68797 0.17221  -0.05285 -0.06217 418 TYR A CA   
1472 C  C    . TYR A 99  ? 0.40891 0.43579 0.38199 0.15802  -0.03605 -0.06616 418 TYR A C    
1473 O  O    . TYR A 99  ? 0.64625 0.65428 0.61470 0.16690  -0.01406 -0.06552 418 TYR A O    
1474 C  CB   . TYR A 99  ? 0.45339 0.45237 0.36666 0.19090  -0.04324 -0.06351 418 TYR A CB   
1475 C  CG   . TYR A 99  ? 0.59727 0.55971 0.46665 0.18751  -0.05134 -0.07708 418 TYR A CG   
1476 C  CD1  . TYR A 99  ? 0.70836 0.66109 0.55445 0.17857  -0.08194 -0.08737 418 TYR A CD1  
1477 C  CD2  . TYR A 99  ? 0.98445 0.92061 0.83388 0.19525  -0.03050 -0.07888 418 TYR A CD2  
1478 C  CE1  . TYR A 99  ? 0.86821 0.77636 0.66307 0.18224  -0.09036 -0.10331 418 TYR A CE1  
1479 C  CE2  . TYR A 99  ? 0.80925 0.71439 0.61687 0.20061  -0.03490 -0.09147 418 TYR A CE2  
1480 C  CZ   . TYR A 99  ? 0.72914 0.61556 0.50480 0.19662  -0.06425 -0.10575 418 TYR A CZ   
1481 O  OH   . TYR A 99  ? 1.25523 1.09982 0.97851 0.20836  -0.06965 -0.12173 418 TYR A OH   
1482 H  H    . TYR A 99  ? 0.64106 0.64106 0.64106 0.00000  0.00000  -0.00000 418 TYR A H    
1483 H  HA   . TYR A 99  ? 0.87432 0.87432 0.87432 -0.00000 -0.00000 -0.00000 418 TYR A HA   
1484 H  HB2  . TYR A 99  ? 0.50612 0.50612 0.50612 -0.00000 -0.00000 0.00000  418 TYR A HB2  
1485 H  HB3  . TYR A 99  ? 0.50612 0.50612 0.50612 -0.00000 -0.00000 0.00000  418 TYR A HB3  
1486 H  HD1  . TYR A 99  ? 0.77013 0.77013 0.77013 -0.00000 0.00000  0.00000  418 TYR A HD1  
1487 H  HD2  . TYR A 99  ? 1.09615 1.09615 1.09615 -0.00000 0.00000  -0.00000 418 TYR A HD2  
1488 H  HE1  . TYR A 99  ? 0.92363 0.92363 0.92363 0.00000  0.00000  -0.00000 418 TYR A HE1  
1489 H  HE2  . TYR A 99  ? 0.85678 0.85678 0.85678 -0.00000 -0.00000 -0.00000 418 TYR A HE2  
1490 H  HH   . TYR A 99  ? 1.33399 1.33399 1.33399 -0.00000 -0.00000 0.00000  418 TYR A HH   
1491 N  N    . GLU A 100 ? 0.47807 0.51684 0.46844 0.13323  -0.04989 -0.06800 419 GLU A N    
1492 C  CA   . GLU A 100 ? 0.56179 0.60669 0.57403 0.11862  -0.03542 -0.06616 419 GLU A CA   
1493 C  C    . GLU A 100 ? 0.47746 0.47183 0.46046 0.11503  -0.02665 -0.07689 419 GLU A C    
1494 O  O    . GLU A 100 ? 0.50637 0.46499 0.45517 0.11996  -0.03520 -0.08639 419 GLU A O    
1495 C  CB   . GLU A 100 ? 0.39285 0.47033 0.43557 0.08928  -0.05514 -0.05827 419 GLU A CB   
1496 C  CG   . GLU A 100 ? 0.39086 0.53538 0.47686 0.09075  -0.06355 -0.04157 419 GLU A CG   
1497 C  CD   . GLU A 100 ? 1.13469 1.32316 1.25134 0.11190  -0.03264 -0.03104 419 GLU A CD   
1498 O  OE1  . GLU A 100 ? 0.74211 0.91053 0.84847 0.11501  -0.00920 -0.03563 419 GLU A OE1  
1499 O  OE2  . GLU A 100 ? 0.79027 1.03066 0.93762 0.12801  -0.03329 -0.01860 419 GLU A OE2  
1500 H  H    . GLU A 100 ? 0.58591 0.58591 0.58591 -0.00000 0.00000  0.00000  419 GLU A H    
1501 H  HA   . GLU A 100 ? 0.69758 0.69758 0.69758 -0.00000 0.00000  0.00000  419 GLU A HA   
1502 H  HB2  . GLU A 100 ? 0.51665 0.51665 0.51665 -0.00000 -0.00000 0.00000  419 GLU A HB2  
1503 H  HB3  . GLU A 100 ? 0.51665 0.51665 0.51665 -0.00000 -0.00000 0.00000  419 GLU A HB3  
1504 H  HG2  . GLU A 100 ? 0.55839 0.55839 0.55839 0.00000  -0.00000 0.00000  419 GLU A HG2  
1505 H  HG3  . GLU A 100 ? 0.55839 0.55839 0.55839 0.00000  -0.00000 0.00000  419 GLU A HG3  
1506 N  N    . GLY A 101 ? 0.54210 0.53612 0.53731 0.10934  -0.00910 -0.07440 420 GLY A N    
1507 C  CA   . GLY A 101 ? 0.46575 0.42002 0.44243 0.10259  -0.00368 -0.08088 420 GLY A CA   
1508 C  C    . GLY A 101 ? 0.49712 0.42459 0.45396 0.12077  0.00950  -0.08250 420 GLY A C    
1509 O  O    . GLY A 101 ? 0.49255 0.39252 0.43595 0.11835  0.01080  -0.08610 420 GLY A O    
1510 H  H    . GLY A 101 ? 0.64678 0.64678 0.64678 0.00000  0.00000  0.00000  420 GLY A H    
1511 H  HA2  . GLY A 101 ? 0.53185 0.53185 0.53185 0.00000  -0.00000 -0.00000 420 GLY A HA2  
1512 H  HA3  . GLY A 101 ? 0.53185 0.53185 0.53185 0.00000  -0.00000 -0.00000 420 GLY A HA3  
1513 N  N    . MET A 102 ? 0.50036 0.43701 0.45801 0.13843  0.01827  -0.07659 421 MET A N    
1514 C  CA   . MET A 102 ? 0.36344 0.27966 0.30510 0.15151  0.02697  -0.07173 421 MET A CA   
1515 C  C    . MET A 102 ? 0.49322 0.39217 0.43974 0.14950  0.03868  -0.06547 421 MET A C    
1516 O  O    . MET A 102 ? 0.44445 0.33039 0.38776 0.14620  0.04223  -0.05745 421 MET A O    
1517 C  CB   . MET A 102 ? 0.46411 0.39152 0.39821 0.16905  0.02502  -0.06510 421 MET A CB   
1518 C  CG   . MET A 102 ? 0.50367 0.43561 0.41792 0.17314  0.01035  -0.07122 421 MET A CG   
1519 S  SD   . MET A 102 ? 0.54087 0.44723 0.42178 0.18111  0.01493  -0.07533 421 MET A SD   
1520 C  CE   . MET A 102 ? 0.61254 0.52484 0.48560 0.19901  0.03161  -0.05483 421 MET A CE   
1521 H  H    . MET A 102 ? 0.55872 0.55872 0.55872 0.00000  -0.00000 -0.00000 421 MET A H    
1522 H  HA   . MET A 102 ? 0.37644 0.37644 0.37644 -0.00000 -0.00000 -0.00000 421 MET A HA   
1523 H  HB2  . MET A 102 ? 0.50211 0.50211 0.50211 -0.00000 -0.00000 0.00000  421 MET A HB2  
1524 H  HB3  . MET A 102 ? 0.50211 0.50211 0.50211 -0.00000 -0.00000 0.00000  421 MET A HB3  
1525 H  HG2  . MET A 102 ? 0.54345 0.54345 0.54345 -0.00000 -0.00000 0.00000  421 MET A HG2  
1526 H  HG3  . MET A 102 ? 0.54345 0.54345 0.54345 -0.00000 -0.00000 0.00000  421 MET A HG3  
1527 H  HE1  . MET A 102 ? 0.64976 0.64976 0.64976 0.00000  0.00000  0.00000  421 MET A HE1  
1528 H  HE2  . MET A 102 ? 0.64976 0.64976 0.64976 0.00000  0.00000  0.00000  421 MET A HE2  
1529 H  HE3  . MET A 102 ? 0.64976 0.64976 0.64976 0.00000  0.00000  0.00000  421 MET A HE3  
1530 N  N    . SER A 103 ? 0.45017 0.35202 0.40477 0.14869  0.04282  -0.06662 422 SER A N    
1531 C  CA   . SER A 103 ? 0.53755 0.41574 0.48863 0.14238  0.04691  -0.06164 422 SER A CA   
1532 C  C    . SER A 103 ? 0.54484 0.41801 0.49356 0.13388  0.05071  -0.06900 422 SER A C    
1533 O  O    . SER A 103 ? 0.47615 0.37561 0.43304 0.13464  0.05371  -0.07332 422 SER A O    
1534 C  CB   . SER A 103 ? 0.42114 0.29429 0.36857 0.15541  0.04739  -0.05634 422 SER A CB   
1535 O  OG   . SER A 103 ? 1.36996 1.20693 1.30421 0.15074  0.04553  -0.05411 422 SER A OG   
1536 H  H    . SER A 103 ? 0.48335 0.48335 0.48335 -0.00000 -0.00000 -0.00000 422 SER A H    
1537 H  HA   . SER A 103 ? 0.57734 0.57734 0.57734 0.00000  -0.00000 -0.00000 422 SER A HA   
1538 H  HB2  . SER A 103 ? 0.43417 0.43417 0.43417 -0.00000 -0.00000 -0.00000 422 SER A HB2  
1539 H  HB3  . SER A 103 ? 0.43417 0.43417 0.43417 -0.00000 -0.00000 -0.00000 422 SER A HB3  
1540 H  HG   . SER A 103 ? 1.55301 1.55301 1.55301 0.00000  -0.00000 0.00000  422 SER A HG   
1541 N  N    . VAL A 104 ? 0.37797 0.22163 0.31672 0.12317  0.04873  -0.06707 423 VAL A N    
1542 C  CA   . VAL A 104 ? 0.44888 0.28056 0.37575 0.11515  0.05148  -0.07299 423 VAL A CA   
1543 C  C    . VAL A 104 ? 0.51423 0.34656 0.42745 0.12741  0.05870  -0.07676 423 VAL A C    
1544 O  O    . VAL A 104 ? 0.54386 0.35601 0.44671 0.13408  0.05429  -0.07469 423 VAL A O    
1545 C  CB   . VAL A 104 ? 0.70986 0.50766 0.62793 0.10040  0.04279  -0.06878 423 VAL A CB   
1546 C  CG1  . VAL A 104 ? 0.63224 0.41164 0.52898 0.09225  0.04371  -0.07435 423 VAL A CG1  
1547 C  CG2  . VAL A 104 ? 0.54958 0.35462 0.48346 0.09424  0.03888  -0.06389 423 VAL A CG2  
1548 H  H    . VAL A 104 ? 0.36710 0.36710 0.36710 -0.00000 -0.00000 0.00000  423 VAL A H    
1549 H  HA   . VAL A 104 ? 0.44265 0.44265 0.44265 -0.00000 -0.00000 0.00000  423 VAL A HA   
1550 H  HB   . VAL A 104 ? 0.73875 0.73875 0.73875 -0.00000 -0.00000 0.00000  423 VAL A HB   
1551 H  HG11 . VAL A 104 ? 0.62972 0.62972 0.62972 0.00000  -0.00000 -0.00000 423 VAL A HG11 
1552 H  HG12 . VAL A 104 ? 0.62972 0.62972 0.62972 0.00000  -0.00000 -0.00000 423 VAL A HG12 
1553 H  HG13 . VAL A 104 ? 0.62972 0.62972 0.62972 0.00000  -0.00000 -0.00000 423 VAL A HG13 
1554 H  HG21 . VAL A 104 ? 0.55564 0.55564 0.55564 -0.00000 0.00000  0.00000  423 VAL A HG21 
1555 H  HG22 . VAL A 104 ? 0.55564 0.55564 0.55564 -0.00000 0.00000  0.00000  423 VAL A HG22 
1556 H  HG23 . VAL A 104 ? 0.55564 0.55564 0.55564 -0.00000 0.00000  0.00000  423 VAL A HG23 
1557 N  N    . ALA A 105 ? 0.45889 0.31265 0.36859 0.13334  0.07111  -0.08131 424 ALA A N    
1558 C  CA   . ALA A 105 ? 0.44712 0.30715 0.33995 0.14872  0.08248  -0.08403 424 ALA A CA   
1559 C  C    . ALA A 105 ? 0.71482 0.54137 0.57210 0.14106  0.08390  -0.08834 424 ALA A C    
1560 O  O    . ALA A 105 ? 0.72313 0.52144 0.55171 0.14904  0.08099  -0.09207 424 ALA A O    
1561 C  CB   . ALA A 105 ? 0.58594 0.50982 0.50367 0.16085  0.09827  -0.07934 424 ALA A CB   
1562 H  H    . ALA A 105 ? 0.45662 0.45662 0.45662 -0.00000 -0.00000 0.00000  424 ALA A H    
1563 H  HA   . ALA A 105 ? 0.43826 0.43826 0.43826 -0.00000 -0.00000 0.00000  424 ALA A HA   
1564 H  HB1  . ALA A 105 ? 0.64034 0.64034 0.64034 0.00000  -0.00000 0.00000  424 ALA A HB1  
1565 H  HB2  . ALA A 105 ? 0.64034 0.64034 0.64034 0.00000  -0.00000 0.00000  424 ALA A HB2  
1566 H  HB3  . ALA A 105 ? 0.64034 0.64034 0.64034 0.00000  -0.00000 0.00000  424 ALA A HB3  
1567 N  N    . GLU A 106 ? 0.59269 0.42452 0.45469 0.11889  0.08191  -0.08461 425 GLU A N    
1568 C  CA   . GLU A 106 ? 0.56752 0.36946 0.39479 0.10847  0.08070  -0.08601 425 GLU A CA   
1569 C  C    . GLU A 106 ? 0.45739 0.24464 0.29734 0.07969  0.06368  -0.07999 425 GLU A C    
1570 O  O    . GLU A 106 ? 0.58287 0.39527 0.45696 0.06813  0.05868  -0.07463 425 GLU A O    
1571 C  CB   . GLU A 106 ? 0.64306 0.48649 0.46358 0.11235  0.10051  -0.08052 425 GLU A CB   
1572 C  CG   . GLU A 106 ? 0.93177 0.78797 0.72949 0.14909  0.12135  -0.08665 425 GLU A CG   
1573 C  CD   . GLU A 106 ? 1.24039 1.15398 1.03824 0.15415  0.14565  -0.07519 425 GLU A CD   
1574 O  OE1  . GLU A 106 ? 1.32576 1.25424 1.13090 0.12492  0.14300  -0.06284 425 GLU A OE1  
1575 O  OE2  . GLU A 106 ? 1.46088 1.40716 1.25274 0.18849  0.16777  -0.07592 425 GLU A OE2  
1576 H  H    . GLU A 106 ? 0.58933 0.58933 0.58933 0.00000  -0.00000 -0.00000 425 GLU A H    
1577 H  HA   . GLU A 106 ? 0.53328 0.53328 0.53328 -0.00000 -0.00000 0.00000  425 GLU A HA   
1578 H  HB2  . GLU A 106 ? 0.63782 0.63782 0.63782 0.00000  0.00000  -0.00000 425 GLU A HB2  
1579 H  HB3  . GLU A 106 ? 0.63782 0.63782 0.63782 0.00000  0.00000  -0.00000 425 GLU A HB3  
1580 H  HG2  . GLU A 106 ? 0.98026 0.98026 0.98026 -0.00000 -0.00000 0.00000  425 GLU A HG2  
1581 H  HG3  . GLU A 106 ? 0.98026 0.98026 0.98026 -0.00000 -0.00000 0.00000  425 GLU A HG3  
1582 N  N    . CYS A 107 ? 0.73287 0.47569 0.54100 0.07061  0.05273  -0.08136 426 CYS A N    
1583 C  CA   . CYS A 107 ? 0.60648 0.33480 0.42426 0.04728  0.03600  -0.07395 426 CYS A CA   
1584 C  C    . CYS A 107 ? 0.60006 0.32527 0.39241 0.03444  0.03750  -0.06927 426 CYS A C    
1585 O  O    . CYS A 107 ? 0.68059 0.40482 0.43680 0.04492  0.05087  -0.07274 426 CYS A O    
1586 C  CB   . CYS A 107 ? 0.74934 0.43403 0.55813 0.04267  0.01659  -0.07303 426 CYS A CB   
1587 S  SG   . CYS A 107 ? 0.68997 0.38170 0.53112 0.05255  0.01422  -0.07012 426 CYS A SG   
1588 H  H    . CYS A 107 ? 0.70039 0.70039 0.70039 -0.00000 0.00000  0.00000  426 CYS A H    
1589 H  HA   . CYS A 107 ? 0.54679 0.54679 0.54679 -0.00000 0.00000  -0.00000 426 CYS A HA   
1590 H  HB2  . CYS A 107 ? 0.69717 0.69717 0.69717 -0.00000 0.00000  -0.00000 426 CYS A HB2  
1591 H  HB3  . CYS A 107 ? 0.69717 0.69717 0.69717 -0.00000 0.00000  -0.00000 426 CYS A HB3  
1592 N  N    . GLY A 108 ? 0.57997 0.30273 0.38800 0.01462  0.02431  -0.06027 427 GLY A N    
1593 C  CA   . GLY A 108 ? 0.51164 0.22833 0.29633 -0.00089 0.02225  -0.05167 427 GLY A CA   
1594 C  C    . GLY A 108 ? 0.57913 0.28158 0.38240 -0.01865 0.00195  -0.04235 427 GLY A C    
1595 O  O    . GLY A 108 ? 0.64257 0.35037 0.48022 -0.01610 -0.00546 -0.04300 427 GLY A O    
1596 H  H    . GLY A 108 ? 0.50885 0.50885 0.50885 0.00000  -0.00000 -0.00000 427 GLY A H    
1597 H  HA2  . GLY A 108 ? 0.41167 0.41167 0.41167 -0.00000 -0.00000 -0.00000 427 GLY A HA2  
1598 H  HA3  . GLY A 108 ? 0.41167 0.41167 0.41167 -0.00000 -0.00000 -0.00000 427 GLY A HA3  
1599 N  N    . CYS A 109 ? 0.62727 0.31051 0.40300 -0.03308 -0.00636 -0.03323 428 CYS A N    
1600 C  CA   . CYS A 109 ? 0.53636 0.20154 0.32481 -0.04754 -0.02737 -0.02256 428 CYS A CA   
1601 C  C    . CYS A 109 ? 0.69487 0.37588 0.49704 -0.06129 -0.02593 -0.01240 428 CYS A C    
1602 O  O    . CYS A 109 ? 0.67068 0.37171 0.45696 -0.07034 -0.01242 -0.00421 428 CYS A O    
1603 C  CB   . CYS A 109 ? 0.59490 0.22525 0.34401 -0.05756 -0.04292 -0.01561 428 CYS A CB   
1604 S  SG   . CYS A 109 ? 0.70150 0.30211 0.43996 -0.05050 -0.05945 -0.02297 428 CYS A SG   
1605 H  H    . CYS A 109 ? 0.53688 0.53688 0.53688 -0.00000 0.00000  -0.00000 428 CYS A H    
1606 H  HA   . CYS A 109 ? 0.42565 0.42565 0.42565 0.00000  -0.00000 -0.00000 428 CYS A HA   
1607 H  HB2  . CYS A 109 ? 0.46623 0.46623 0.46623 -0.00000 -0.00000 0.00000  428 CYS A HB2  
1608 H  HB3  . CYS A 109 ? 0.46623 0.46623 0.46623 -0.00000 -0.00000 0.00000  428 CYS A HB3  
1609 N  N    . ARG A 110 ? 0.53862 0.20995 0.36867 -0.06210 -0.04068 -0.01137 429 ARG A N    
1610 C  CA   . ARG A 110 ? 0.52609 0.19939 0.36740 -0.07624 -0.04679 -0.00373 429 ARG A CA   
1611 C  C    . ARG A 110 ? 0.54694 0.18010 0.39063 -0.07976 -0.07200 0.00219  429 ARG A C    
1612 O  O    . ARG A 110 ? 0.57679 0.19182 0.41466 -0.09841 -0.08507 0.01412  429 ARG A O    
1613 C  CB   . ARG A 110 ? 0.61234 0.31056 0.47977 -0.06669 -0.03930 -0.01471 429 ARG A CB   
1614 C  CG   . ARG A 110 ? 0.48302 0.22516 0.35274 -0.06207 -0.01559 -0.01729 429 ARG A CG   
1615 C  CD   . ARG A 110 ? 0.50664 0.27510 0.36817 -0.08293 -0.00670 0.00087  429 ARG A CD   
1616 N  NE   . ARG A 110 ? 0.74407 0.56282 0.61153 -0.07228 0.01845  0.00040  429 ARG A NE   
1617 C  CZ   . ARG A 110 ? 0.54718 0.37581 0.38608 -0.05773 0.03854  -0.00188 429 ARG A CZ   
1618 N  NH1  . ARG A 110 ? 0.71335 0.50305 0.51329 -0.05615 0.03382  -0.00421 429 ARG A NH1  
1619 N  NH2  . ARG A 110 ? 0.71918 0.59491 0.56551 -0.04212 0.06182  -0.00223 429 ARG A NH2  
1620 O  OXT  . ARG A 110 ? 0.85256 0.47116 0.70534 -0.06323 -0.08075 -0.00257 429 ARG A OXT  
1621 H  H    . ARG A 110 ? 0.44747 0.44747 0.44747 -0.00000 -0.00000 0.00000  429 ARG A H    
1622 H  HA   . ARG A 110 ? 0.43431 0.43431 0.43431 -0.00000 -0.00000 -0.00000 429 ARG A HA   
1623 H  HB2  . ARG A 110 ? 0.56164 0.56164 0.56164 0.00000  0.00000  -0.00000 429 ARG A HB2  
1624 H  HB3  . ARG A 110 ? 0.56164 0.56164 0.56164 0.00000  0.00000  -0.00000 429 ARG A HB3  
1625 H  HG2  . ARG A 110 ? 0.42152 0.42152 0.42152 -0.00000 -0.00000 0.00000  429 ARG A HG2  
1626 H  HG3  . ARG A 110 ? 0.42152 0.42152 0.42152 -0.00000 -0.00000 0.00000  429 ARG A HG3  
1627 H  HD2  . ARG A 110 ? 0.45712 0.45712 0.45712 -0.00000 -0.00000 0.00000  429 ARG A HD2  
1628 H  HD3  . ARG A 110 ? 0.45712 0.45712 0.45712 -0.00000 -0.00000 0.00000  429 ARG A HD3  
1629 H  HE   . ARG A 110 ? 0.76794 0.76794 0.76794 -0.00000 -0.00000 -0.00000 429 ARG A HE   
1630 H  HH11 . ARG A 110 ? 0.69245 0.69245 0.69245 -0.00000 0.00000  -0.00000 429 ARG A HH11 
1631 H  HH12 . ARG A 110 ? 0.69245 0.69245 0.69245 -0.00000 0.00000  -0.00000 429 ARG A HH12 
1632 H  HH21 . ARG A 110 ? 0.75241 0.75241 0.75241 -0.00000 -0.00000 -0.00000 429 ARG A HH21 
1633 H  HH22 . ARG A 110 ? 0.75241 0.75241 0.75241 -0.00000 -0.00000 -0.00000 429 ARG A HH22 
1634 C  C1   . GOL B .   ? 0.73289 0.75514 0.63733 0.29018  -0.20203 -0.01698 501 GOL A C1   
1635 O  O1   . GOL B .   ? 0.73318 0.75204 0.63485 0.29139  -0.20019 -0.01534 501 GOL A O1   
1636 C  C2   . GOL B .   ? 0.73853 0.75521 0.64264 0.28883  -0.20430 -0.01615 501 GOL A C2   
1637 O  O2   . GOL B .   ? 0.73771 0.75335 0.64297 0.28515  -0.20466 -0.01347 501 GOL A O2   
1638 C  C3   . GOL B .   ? 0.74519 0.75775 0.63911 0.29120  -0.20654 -0.01803 501 GOL A C3   
1639 O  O3   . GOL B .   ? 0.74693 0.76329 0.64155 0.28771  -0.20836 -0.01764 501 GOL A O3   
1640 H  H11  . GOL B .   ? 0.85072 0.85072 0.85072 -0.00000 0.00000  -0.00000 501 GOL A H11  
1641 H  H12  . GOL B .   ? 0.85072 0.85072 0.85072 -0.00000 0.00000  -0.00000 501 GOL A H12  
1642 H  HO1  . GOL B .   ? 0.84860 0.84860 0.84860 0.00000  -0.00000 -0.00000 501 GOL A HO1  
1643 H  H2   . GOL B .   ? 0.85512 0.85512 0.85512 0.00000  0.00000  0.00000  501 GOL A H2   
1644 H  HO2  . GOL B .   ? 0.85418 0.85418 0.85418 -0.00000 -0.00000 -0.00000 501 GOL A HO2  
1645 H  H31  . GOL B .   ? 0.85739 0.85739 0.85739 -0.00000 -0.00000 -0.00000 501 GOL A H31  
1646 H  H32  . GOL B .   ? 0.85739 0.85739 0.85739 -0.00000 -0.00000 -0.00000 501 GOL A H32  
1647 H  HO3  . GOL B .   ? 0.86128 0.86128 0.86128 0.00000  -0.00000 -0.00000 501 GOL A HO3  
1648 C  C1   A GOL C .   ? 0.29959 0.24085 0.28688 -0.00783 0.12431  0.10548  502 GOL A C1   
1649 C  C1   B GOL C .   ? 0.59049 0.31024 0.65922 0.03746  -0.04848 -0.22775 502 GOL A C1   
1650 O  O1   A GOL C .   ? 0.29050 0.23613 0.28229 -0.00086 0.12421  0.10435  502 GOL A O1   
1651 O  O1   B GOL C .   ? 0.58899 0.31078 0.65607 0.04472  -0.04778 -0.22722 502 GOL A O1   
1652 C  C2   A GOL C .   ? 0.30135 0.23815 0.29172 -0.00498 0.12437  0.10782  502 GOL A C2   
1653 C  C2   B GOL C .   ? 0.59362 0.31053 0.66340 0.04876  -0.05011 -0.22612 502 GOL A C2   
1654 O  O2   A GOL C .   ? 0.30639 0.23876 0.29579 -0.00347 0.12687  0.10853  502 GOL A O2   
1655 O  O2   B GOL C .   ? 0.59640 0.31147 0.66120 0.05154  -0.04961 -0.22632 502 GOL A O2   
1656 C  C3   A GOL C .   ? 0.29938 0.23576 0.29900 -0.00293 0.12390  0.11055  502 GOL A C3   
1657 C  C3   B GOL C .   ? 0.59495 0.31085 0.66045 0.05801  -0.05068 -0.22444 502 GOL A C3   
1658 O  O3   A GOL C .   ? 0.30674 0.24181 0.30097 -0.00891 0.12263  0.11255  502 GOL A O3   
1659 O  O3   B GOL C .   ? 0.59816 0.31216 0.66593 0.05240  -0.05229 -0.22648 502 GOL A O3   
1660 H  H11  A GOL C .   ? 0.33150 0.33150 0.33150 0.00000  -0.00000 0.00000  502 GOL A H11  
1661 H  H11  B GOL C .   ? 0.62455 0.62455 0.62455 0.00000  -0.00000 -0.00000 502 GOL A H11  
1662 H  H12  A GOL C .   ? 0.33150 0.33150 0.33150 0.00000  -0.00000 0.00000  502 GOL A H12  
1663 H  H12  B GOL C .   ? 0.62455 0.62455 0.62455 0.00000  -0.00000 -0.00000 502 GOL A H12  
1664 H  HO1  A GOL C .   ? 0.32414 0.32414 0.32414 -0.00000 -0.00000 -0.00000 502 GOL A HO1  
1665 H  HO1  B GOL C .   ? 0.62291 0.62291 0.62291 0.00000  -0.00000 0.00000  502 GOL A HO1  
1666 H  H2   A GOL C .   ? 0.33306 0.33306 0.33306 0.00000  -0.00000 -0.00000 502 GOL A H2   
1667 H  H2   B GOL C .   ? 0.62759 0.62759 0.62759 0.00000  0.00000  -0.00000 502 GOL A H2   
1668 H  HO2  A GOL C .   ? 0.33695 0.33695 0.33695 -0.00000 0.00000  -0.00000 502 GOL A HO2  
1669 H  HO2  B GOL C .   ? 0.62820 0.62820 0.62820 -0.00000 -0.00000 0.00000  502 GOL A HO2  
1670 H  H31  A GOL C .   ? 0.33423 0.33423 0.33423 0.00000  -0.00000 -0.00000 502 GOL A H31  
1671 H  H31  B GOL C .   ? 0.62707 0.62707 0.62707 0.00000  -0.00000 -0.00000 502 GOL A H31  
1672 H  H32  A GOL C .   ? 0.33423 0.33423 0.33423 0.00000  -0.00000 -0.00000 502 GOL A H32  
1673 H  H32  B GOL C .   ? 0.62707 0.62707 0.62707 0.00000  -0.00000 -0.00000 502 GOL A H32  
1674 H  HO3  A GOL C .   ? 0.34038 0.34038 0.34038 0.00000  0.00000  -0.00000 502 GOL A HO3  
1675 H  HO3  B GOL C .   ? 0.63107 0.63107 0.63107 0.00000  -0.00000 0.00000  502 GOL A HO3  
1676 CL CL   . CL  D .   ? 0.86598 0.84250 0.71693 0.05470  -0.24652 0.17498  503 CL  A CL   
1677 CL CL   . CL  E .   ? 0.56718 0.75012 0.49520 0.27735  -0.07008 -0.08970 504 CL  A CL   
1678 CL CL   . CL  F .   ? 0.83640 0.86629 1.19449 -0.03552 0.06084  0.38200  505 CL  A CL   
1679 CL CL   . CL  G .   ? 0.60742 0.46296 0.51585 -0.19463 -0.02018 0.06200  506 CL  A CL   
1680 CL CL   . CL  H .   ? 0.99538 0.99634 0.83985 0.37385  -0.02322 -0.02321 507 CL  A CL   
1681 CL CL   . CL  I .   ? 0.75580 1.43590 1.04696 0.17377  -0.04892 -0.56469 508 CL  A CL   
1682 CL CL   . CL  J .   ? 1.44852 1.45079 0.89050 0.31588  0.37356  0.13971  509 CL  A CL   
1683 CL CL   . CL  K .   ? 1.36779 1.26646 1.52270 -0.69559 0.32389  -0.46592 510 CL  A CL   
1684 CL CL   . CL  L .   ? 1.04705 1.47205 1.57647 -0.25456 -0.07376 0.02874  511 CL  A CL   
1685 CL CL   . CL  M .   ? 0.66032 0.89601 0.67716 0.40526  0.10022  0.27037  512 CL  A CL   
1686 NA NA   . NA  N .   ? 0.83776 0.79931 0.25182 -0.03502 0.10710  -0.06515 513 NA  A NA   
1687 NA NA   . NA  O .   ? 1.14974 1.21976 0.86731 0.15344  0.56687  0.15685  514 NA  A NA   
1688 NA NA   . NA  P .   ? 0.65281 1.00106 1.30570 -0.26904 -0.05091 0.47865  515 NA  A NA   
1689 NA NA   . NA  Q .   ? 0.48892 0.56982 0.80084 -0.06386 -0.23867 0.05701  516 NA  A NA   
1690 NA NA   . NA  R .   ? 0.45008 0.37568 0.70291 0.18051  -0.01928 -0.10257 517 NA  A NA   
1691 NA NA   . NA  S .   ? 1.67096 0.93617 0.62614 0.58450  0.15501  0.15730  518 NA  A NA   
1692 O  O    . HOH T .   ? 0.87029 0.70806 0.67610 0.15661  0.38749  -0.10514 601 HOH A O    
1693 O  O    . HOH T .   ? 0.44137 0.21505 0.36162 -0.13315 0.01762  -0.08720 602 HOH A O    
1694 O  O    . HOH T .   ? 1.35317 0.55102 0.56986 0.29364  0.16683  -0.02915 603 HOH A O    
1695 O  O    . HOH T .   ? 1.00904 1.21750 0.33088 0.03224  -0.03469 0.13058  604 HOH A O    
1696 O  O    . HOH T .   ? 0.40049 0.30198 0.37615 -0.09294 -0.00977 -0.03581 605 HOH A O    
1697 O  O    . HOH T .   ? 0.91189 0.83446 0.78603 -0.30447 0.23950  0.27534  606 HOH A O    
1698 O  O    . HOH T .   ? 0.73280 1.18716 0.71747 -0.22741 -0.29299 -0.20446 607 HOH A O    
1699 O  O    . HOH T .   ? 0.80342 0.93162 0.53138 0.01871  0.05833  0.11273  608 HOH A O    
1700 O  O    . HOH T .   ? 0.71633 0.59056 0.82724 0.29342  0.00372  0.26434  609 HOH A O    
1701 O  O    . HOH T .   ? 0.33168 0.71447 0.51368 0.03677  0.08399  -0.28768 610 HOH A O    
1702 O  O    . HOH T .   ? 0.77661 0.98589 0.64448 0.14945  -0.16523 -0.35113 611 HOH A O    
1703 O  O    . HOH T .   ? 1.09180 0.59108 0.61822 -0.05769 0.38949  0.03718  612 HOH A O    
1704 O  O    . HOH T .   ? 0.97175 0.88520 0.50362 -0.02014 -0.21440 -0.27832 613 HOH A O    
1705 O  O    . HOH T .   ? 0.51837 0.44679 0.75033 0.20475  0.23881  0.21827  614 HOH A O    
1706 O  O    . HOH T .   ? 0.51549 0.80766 0.95141 0.01176  0.34825  0.20094  615 HOH A O    
1707 O  O    . HOH T .   ? 0.67292 0.40484 0.67585 0.25517  -0.03254 -0.15122 616 HOH A O    
1708 O  O    . HOH T .   ? 0.12626 0.10129 0.23476 0.00058  -0.01965 -0.07390 617 HOH A O    
1709 O  O    . HOH T .   ? 0.88781 0.77860 0.79590 0.42945  0.10783  -0.17064 618 HOH A O    
1710 O  O    . HOH T .   ? 1.36182 1.04799 1.00632 -0.13242 0.19049  -0.58722 619 HOH A O    
1711 O  O    . HOH T .   ? 0.24440 0.21819 0.34004 0.04323  0.14019  -0.04338 620 HOH A O    
1712 O  O    . HOH T .   ? 0.45217 0.86176 0.47036 -0.18542 -0.02909 0.27363  621 HOH A O    
1713 O  O    . HOH T .   ? 0.66557 0.60847 1.15818 0.04625  0.39526  -0.00161 622 HOH A O    
1714 O  O    . HOH T .   ? 1.13957 0.65913 0.75508 -0.02138 0.07132  -0.39131 623 HOH A O    
1715 O  O    . HOH T .   ? 0.59193 0.68717 0.64035 0.24367  -0.15540 -0.27258 624 HOH A O    
1716 O  O    . HOH T .   ? 0.45781 0.39310 0.40210 -0.22741 -0.01369 0.11062  625 HOH A O    
1717 O  O    . HOH T .   ? 0.77104 0.50648 1.04562 -0.09095 0.19199  -0.26840 626 HOH A O    
1718 O  O    . HOH T .   ? 0.74358 0.86319 1.27398 0.47563  -0.01732 -0.00714 627 HOH A O    
1719 O  O    . HOH T .   ? 0.90740 0.51421 0.64546 0.14248  0.13251  0.19206  628 HOH A O    
1720 O  O    . HOH T .   ? 0.58923 0.63557 0.25894 -0.11767 -0.15221 0.08564  629 HOH A O    
1721 O  O    . HOH T .   ? 0.40973 0.98157 0.77976 0.11412  -0.25125 -0.11668 630 HOH A O    
1722 O  O    . HOH T .   ? 0.82558 0.46616 0.32898 0.26181  -0.17574 -0.12060 631 HOH A O    
1723 O  O    . HOH T .   ? 1.15179 0.40812 0.63205 -0.06567 -0.22552 -0.05525 632 HOH A O    
1724 O  O    . HOH T .   ? 0.96403 0.81308 0.48784 0.15541  -0.10248 -0.01573 633 HOH A O    
1725 O  O    . HOH T .   ? 0.83684 0.96693 0.61739 0.05376  0.12068  0.22801  634 HOH A O    
1726 O  O    . HOH T .   ? 0.77972 0.85920 1.22566 -0.00725 0.22291  -0.09281 635 HOH A O    
1727 O  O    . HOH T .   ? 0.90190 0.72735 0.45739 -0.03220 0.11902  0.21630  636 HOH A O    
1728 O  O    . HOH T .   ? 0.70239 0.97631 0.47105 0.02407  -0.08603 -0.23215 637 HOH A O    
1729 O  O    . HOH T .   ? 0.97081 1.22975 0.72904 -0.47963 -0.26131 0.06222  638 HOH A O    
1730 O  O    . HOH T .   ? 0.73515 0.81789 1.24408 0.33154  0.28300  0.44482  639 HOH A O    
1731 O  O    . HOH T .   ? 0.49909 0.55813 0.60199 0.15473  0.22921  0.30701  640 HOH A O    
1732 O  O    . HOH T .   ? 0.90847 0.70988 0.82296 -0.28958 -0.15596 0.33886  641 HOH A O    
1733 O  O    . HOH T .   ? 0.91781 0.64333 0.97315 0.31795  0.17808  -0.27205 642 HOH A O    
1734 O  O    . HOH T .   ? 0.92945 0.53901 0.91035 0.10155  -0.17694 0.13107  643 HOH A O    
1735 O  O    . HOH T .   ? 0.76836 1.34484 0.79662 0.15818  0.05979  0.26237  644 HOH A O    
1736 O  O    . HOH T .   ? 1.13532 0.99615 0.77411 -0.17333 -0.24611 -0.42639 645 HOH A O    
1737 O  O    . HOH T .   ? 0.66008 0.81129 1.11062 0.26630  0.23347  0.15340  646 HOH A O    
1738 O  O    . HOH T .   ? 1.15632 1.15650 1.50877 -0.34332 -0.18988 -0.18987 647 HOH A O    
1739 O  O    . HOH T .   ? 0.32042 0.47590 0.60409 -0.03270 -0.00862 -0.09785 648 HOH A O    
1740 O  O    . HOH T .   ? 0.69399 1.02412 0.81797 0.21322  0.08836  0.29229  649 HOH A O    
1741 O  O    . HOH T .   ? 0.80057 0.57457 1.17554 0.24216  0.08320  -0.22314 650 HOH A O    
1742 O  O    . HOH T .   ? 0.62470 0.96233 0.84691 -0.27726 0.06114  0.23826  651 HOH A O    
1743 O  O    . HOH T .   ? 1.17576 0.85150 0.79538 0.11155  -0.18224 0.07684  652 HOH A O    
1744 O  O    . HOH T .   ? 0.91826 0.78043 0.85735 0.29681  0.29706  -0.22876 653 HOH A O    
1745 O  O    . HOH T .   ? 0.49677 0.84269 1.01145 0.25456  -0.05636 -0.05331 654 HOH A O    
1746 O  O    . HOH T .   ? 1.21443 0.67524 0.78189 0.11194  0.02116  -0.08805 655 HOH A O    
1747 O  O    . HOH T .   ? 1.22470 0.63704 0.97761 -0.24659 0.15358  0.06238  656 HOH A O    
1748 O  O    . HOH T .   ? 1.02018 1.05348 0.81038 0.00102  -0.44256 -0.11242 657 HOH A O    
1749 O  O    . HOH T .   ? 1.03402 0.99227 1.08426 -0.05937 0.52875  -0.21290 658 HOH A O    
1750 O  O    . HOH T .   ? 0.71012 0.73463 1.00662 -0.01272 -0.13647 0.04604  659 HOH A O    
1751 O  O    . HOH T .   ? 0.61244 0.79488 1.19974 0.23187  -0.08560 -0.25794 660 HOH A O    
1752 O  O    . HOH T .   ? 1.01895 0.76029 0.90327 0.27175  -0.04259 0.08559  661 HOH A O    
1753 O  O    . HOH T .   ? 0.72904 0.79476 0.94305 -0.34188 -0.28092 -0.02222 662 HOH A O    
# 
