data_9DPP
# 
_entry.id   9DPP 
# 
_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   9DPP         pdb_00009dpp 10.2210/pdb9dpp/pdb 
WWPDB D_1000287365 ?            ?                   
# 
_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                        9DPP 
_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    9  ? ?     ? ? 
4 non-polymer syn 'SODIUM ION'                      22.990    5  ? ?     ? ? 
5 water       nat water                             18.015    52 ? ?     ? ? 
# 
_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 8  CL  CL  A . 
K 3 CL  1  510 9  CL  CL  A . 
L 3 CL  1  511 10 CL  CL  A . 
M 4 NA  1  512 1  NA  NA  A . 
N 4 NA  1  513 2  NA  NA  A . 
O 4 NA  1  514 4  NA  NA  A . 
P 4 NA  1  515 5  NA  NA  A . 
Q 4 NA  1  516 6  NA  NA  A . 
R 5 HOH 1  601 42 HOH HOH A . 
R 5 HOH 2  602 18 HOH HOH A . 
R 5 HOH 3  603 15 HOH HOH A . 
R 5 HOH 4  604 75 HOH HOH A . 
R 5 HOH 5  605 13 HOH HOH A . 
R 5 HOH 6  606 1  HOH HOH A . 
R 5 HOH 7  607 39 HOH HOH A . 
R 5 HOH 8  608 16 HOH HOH A . 
R 5 HOH 9  609 58 HOH HOH A . 
R 5 HOH 10 610 38 HOH HOH A . 
R 5 HOH 11 611 43 HOH HOH A . 
R 5 HOH 12 612 3  HOH HOH A . 
R 5 HOH 13 613 48 HOH HOH A . 
R 5 HOH 14 614 66 HOH HOH A . 
R 5 HOH 15 615 29 HOH HOH A . 
R 5 HOH 16 616 55 HOH HOH A . 
R 5 HOH 17 617 8  HOH HOH A . 
R 5 HOH 18 618 50 HOH HOH A . 
R 5 HOH 19 619 12 HOH HOH A . 
R 5 HOH 20 620 36 HOH HOH A . 
R 5 HOH 21 621 2  HOH HOH A . 
R 5 HOH 22 622 46 HOH HOH A . 
R 5 HOH 23 623 27 HOH HOH A . 
R 5 HOH 24 624 7  HOH HOH A . 
R 5 HOH 25 625 5  HOH HOH A . 
R 5 HOH 26 626 91 HOH HOH A . 
R 5 HOH 27 627 6  HOH HOH A . 
R 5 HOH 28 628 10 HOH HOH A . 
R 5 HOH 29 629 35 HOH HOH A . 
R 5 HOH 30 630 56 HOH HOH A . 
R 5 HOH 31 631 26 HOH HOH A . 
R 5 HOH 32 632 81 HOH HOH A . 
R 5 HOH 33 633 31 HOH HOH A . 
R 5 HOH 34 634 69 HOH HOH A . 
R 5 HOH 35 635 76 HOH HOH A . 
R 5 HOH 36 636 87 HOH HOH A . 
R 5 HOH 37 637 9  HOH HOH A . 
R 5 HOH 38 638 77 HOH HOH A . 
R 5 HOH 39 639 74 HOH HOH A . 
R 5 HOH 40 640 72 HOH HOH A . 
R 5 HOH 41 641 63 HOH HOH A . 
R 5 HOH 42 642 80 HOH HOH A . 
R 5 HOH 43 643 44 HOH HOH A . 
R 5 HOH 44 644 45 HOH HOH A . 
R 5 HOH 45 645 85 HOH HOH A . 
R 5 HOH 46 646 23 HOH HOH A . 
R 5 HOH 47 647 89 HOH HOH A . 
R 5 HOH 48 648 60 HOH HOH A . 
R 5 HOH 49 649 92 HOH HOH A . 
R 5 HOH 50 650 78 HOH HOH A . 
R 5 HOH 51 651 93 HOH HOH A . 
R 5 HOH 52 652 21 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                     9DPP 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     70.940 
_cell.length_a_esd                 ? 
_cell.length_b                     70.940 
_cell.length_b_esd                 ? 
_cell.length_c                     145.860 
_cell.length_c_esd                 ? 
_cell.volume                       734038.058 
_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                         9DPP 
_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                   9DPP 
_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             3.88 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          68.32 
_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 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   N 
# 
_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                          44.61 
_reflns.entry_id                                       9DPP 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.12 
_reflns.d_resolution_low                               35.47 
_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                                     10969 
_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                           100.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                24.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          14.0 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.95 
_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                                0.164 
_reflns.pdbx_Rpim_I_all                                0.045 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.158 
_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                                    2.12 
_reflns_shell.d_res_low                                     2.18 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.0 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             857 
_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                               20.9 
_reflns_shell.pdbx_chi_squared                              0.98 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               2.715 
_reflns_shell.pdbx_Rpim_I_all                               0.810 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.526 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100.0 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  2.588 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               66.21 
_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                                 9DPP 
_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                            2.12 
_refine.ls_d_res_low                             35.47 
_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                     10949 
_refine.ls_number_reflns_R_free                  537 
_refine.ls_number_reflns_R_work                  10412 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.95 
_refine.ls_percent_reflns_R_free                 4.90 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2217 
_refine.ls_R_factor_R_free                       0.2577 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2199 
_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                          1.38 
_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                 30.8762 
_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                            0.3040 
_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                       2.12 
_refine_hist.d_res_low                        35.47 
_refine_hist.number_atoms_solvent             52 
_refine_hist.number_atoms_total               904 
_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         26 
_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' ? 0.0160  ? 868  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.5574  ? 1176 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0796  ? 128  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0124  ? 147  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 13.5576 ? 317  ? 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' 2.12 2.33  . . 122 2544 100.00 . . . . 0.2841 . . . . . . . . . . . 0.2786 
'X-RAY DIFFRACTION' 2.33 2.67  . . 145 2548 99.96  . . . . 0.2357 . . . . . . . . . . . 0.3155 
'X-RAY DIFFRACTION' 2.67 3.36  . . 144 2579 99.85  . . . . 0.2156 . . . . . . . . . . . 0.2412 
'X-RAY DIFFRACTION' 3.37 35.47 . . 126 2741 100.00 . . . . 0.2100 . . . . . . . . . . . 0.2491 
# 
_struct.entry_id                     9DPP 
_struct.title                        'BMP-9 Wild-Type Dimer 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        9DPP 
_struct_keywords.text            'SIGNALING PROTEIN, BMP, bone morphogenetic protein, TGF-beta family' 
_struct_keywords.pdbx_keywords   'SIGNALING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 3 ? 
E N N 3 ? 
F N N 3 ? 
G N N 3 ? 
H N N 3 ? 
I N N 3 ? 
J N N 3 ? 
K N N 3 ? 
L N N 3 ? 
M N N 4 ? 
N N N 4 ? 
O N N 4 ? 
P N N 4 ? 
Q N N 4 ? 
R 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              9DPP 
_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             9DPP 
_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_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R 
1 2 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R 
# 
_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 Dimer 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' 5_454 -x-1/2,y,-z-1/4 -1.0000000000 0.0000000000 0.0000000000 -35.4700000000 0.0000000000 
1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 -36.4650000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 21 ? SER A 24 ? GLY A 340 SER A 343 5 ? 4  
HELX_P HELX_P2 AA2 THR A 52 ? PHE A 65 ? THR A 371 PHE A 384 1 ? 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 ? ? ? ? ? ? ? 2.039 ? ? 
disulf2 disulf ? ? A CYS 37 SG  ? ? ? 1_555 A CYS 107 SG ? ? A CYS 356 A CYS 426 1_555 ? ? ? ? ? ? ? 2.008 ? ? 
disulf3 disulf ? ? A CYS 41 SG  ? ? ? 1_555 A CYS 109 SG ? ? A CYS 360 A CYS 428 1_555 ? ? ? ? ? ? ? 2.020 ? ? 
disulf4 disulf ? ? A CYS 73 SG  ? ? ? 1_555 A CYS 73  SG ? ? A CYS 392 A CYS 392 5_454 ? ? ? ? ? ? ? 2.036 ? ? 
metalc1 metalc ? ? A THR 67 OG1 ? ? ? 1_555 P NA  .   NA ? ? A THR 386 A NA  515 1_555 ? ? ? ? ? ? ? 2.558 ? ? 
metalc2 metalc ? ? A PRO 76 O   ? ? ? 1_555 M NA  .   NA ? ? A PRO 395 A NA  512 1_555 ? ? ? ? ? ? ? 2.916 ? ? 
metalc3 metalc ? ? M NA  .  NA  ? ? ? 1_555 R HOH .   O  ? ? A NA  512 A HOH 607 5_454 ? ? ? ? ? ? ? 2.956 ? ? 
metalc4 metalc ? ? O NA  .  NA  ? ? ? 1_555 R HOH .   O  ? ? A NA  514 A HOH 616 1_555 ? ? ? ? ? ? ? 2.571 ? ? 
metalc5 metalc ? ? O NA  .  NA  ? ? ? 1_555 R HOH .   O  ? ? A NA  514 A HOH 623 1_555 ? ? ? ? ? ? ? 2.947 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 O ? A PRO 76 ? A PRO 395 ? 1_555 NA ? M NA . ? A NA 512 ? 1_555 O ? R HOH . ? A HOH 607 ? 5_454 101.4 ? 
2 O ? R HOH .  ? A HOH 616 ? 1_555 NA ? O NA . ? A NA 514 ? 1_555 O ? R HOH . ? A HOH 623 ? 1_555 131.8 ? 
# 
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 ? 5_454 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 -1.05 
2 PHE 43 A . ? PHE 362 A PRO 44 A ? PRO 363 A 1 1.53  
# 
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 GLN A 9  ? N GLN A 328 O LYS A 38 ? O LYS A 357 
AA2 1 2 N VAL A 15 ? N VAL A 334 O TYR A 32 ? O TYR A 351 
AA3 1 2 N ILE A 27 ? N ILE A 346 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                   9DPP 
_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 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 TYR A 354 ? ? 67.11 161.36 
2 1 THR A 369 ? ? 37.47 57.89  
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    CL 
_pdbx_struct_special_symmetry.auth_seq_id     507 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   H 
_pdbx_struct_special_symmetry.label_comp_id   CL 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
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 -4.01158816243 -15.5405881867 -20.2256913144 0.499683349278 ? 0.0534129933501 ? -0.048190894176  ? 
0.819300230419 ? -0.053534673512 ? 0.648902760692 ? 9.81164215312 ? 1.41051008191   ? -7.41114633593  ? 9.4297755611  ? 
0.0996052743138 ? 5.74003296419 ? -0.799134233694  ? -1.07588974233  ? -0.809653623687 ? 0.646485800868  ? 0.0725115953548 ? 
-0.758661003153   ? 1.37467535442   ? 2.26316301588   ? 0.729144522275   ? 
2 'X-RAY DIFFRACTION' ? refined -5.04760105896 -12.2629380113 -34.7642201835 0.725967416414 ? -0.210799352567 ? 0.0212149827031  ? 
0.736343450792 ? -0.114372342421 ? 0.524408985118 ? 6.06362933855 ? 0.390539969022  ? -0.466754435834 ? 5.01547098117 ? 
1.24894770752   ? 2.01191481076 ? -0.705113873462  ? 0.852004258713  ? -0.498691777076 ? -0.92225061262  ? 0.441631429502  ? 
-0.439366050158   ? 1.04293404762   ? 1.11394002467   ? -0.0669040222128 ? 
3 'X-RAY DIFFRACTION' ? refined -12.2446424674 -13.1401120327 -6.64265100388 0.507149088419 ? 0.0833376931126 ? -0.0438558847439 ? 
0.807087594801 ? 0.137173875285  ? 0.578359488158 ? 5.49820827303 ? -3.26654829665  ? 1.61106770806   ? 4.63035923283 ? 
-4.30913300001  ? 8.32957230628 ? -0.530752106522  ? -1.67286182477  ? 0.138510236599  ? 0.0621447127482 ? -0.227628728699 ? 
-0.813975618728   ? -0.214540777797 ? 1.10197974964   ? 1.02214250733    ? 
4 'X-RAY DIFFRACTION' ? refined -23.5653449216 -18.898261359  -7.37283745084 0.550753233206 ? 0.0157886334738 ? -0.0381802190342 ? 
0.496030519514 ? 0.098156052604  ? 0.462696217112 ? 7.72195402283 ? -0.965569289889 ? -0.910651840146 ? 3.76870627652 ? 
-2.78349192297  ? 3.70712868281 ? -0.149101107207  ? -0.210578447478 ? -1.0949622048   ? -0.242646484579 ? 0.221983119747  ? 
-0.580468571342   ? 0.736182422661  ? -0.579355321089 ? 0.15838319101    ? 
5 'X-RAY DIFFRACTION' ? refined -11.9772297011 -8.4457696836  -18.0565066099 0.334810163795 ? -0.169515495857 ? -0.184394057355  ? 
0.496532761328 ? 0.0272223785366 ? 0.421385274588 ? 2.00269433919 ? -1.49676865399  ? -5.55346410593  ? 2.10205701224 ? 
3.82137683949   ? 7.78824464499 ? -0.764400488713  ? 0.294354327719  ? 1.99813406258   ? -0.352126800316 ? 0.62502379516   ? 
-0.582701823796   ? -1.74660422286  ? 0.858229610514  ? 0.382879802113   ? 
6 'X-RAY DIFFRACTION' ? refined -7.8194840056  -2.49368733084 -33.58063584   0.64341443366  ? -0.143820943203 ? -0.0323908884604 ? 
0.592816891342 ? 0.0288819916963 ? 0.48106458061  ? 5.10898532066 ? 0.960989323193  ? -0.992727014498 ? 2.45087013794 ? 
-0.328149869484 ? 2.68845607011 ? -0.0766558823275 ? 0.740621062645  ? 0.597030938237  ? -0.376397379949 ? 0.273782215963  ? 
-0.00257301441729 ? -0.876872924561 ? 0.234747376706  ? -0.215439755804  ? 
# 
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 12  A 335 ? ? 
;chain 'A' and (resid  324  through  335 )
;
2 'X-RAY DIFFRACTION' 2 A 13 A 336 ? A 34  A 357 ? ? 
;chain 'A' and (resid  336  through  357 )
;
3 'X-RAY DIFFRACTION' 3 A 35 A 358 ? A 48  A 371 ? ? 
;chain 'A' and (resid  358  through  371 )
;
4 'X-RAY DIFFRACTION' 4 A 49 A 372 ? A 69  A 392 ? ? 
;chain 'A' and (resid  372  through  392 )
;
5 'X-RAY DIFFRACTION' 5 A 70 A 393 ? A 74  A 397 ? ? 
;chain 'A' and (resid  393  through  397 )
;
6 'X-RAY DIFFRACTION' 6 A 75 A 398 ? A 106 A 429 ? ? 
;chain 'A' and (resid  398  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          ? 
# 
_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                    9DPP 
_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]   0.014096 
_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]   0.014096 
_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]   0.006856 
_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   ? ? ?       ?       ? ? ?        ?        ? ? ?   ? ? 
NA1+ ? ? 9.95753 ?       ? ? 4.19129  ?        ? ? 0.0 
;1-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O    ? ? 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   ? -3.68200  -21.37300 -4.68800  1.000 131.29137 ? 324 GLY A N    1 
ATOM   2    C  CA   . GLY A 1 5   ? -4.85400  -20.65000 -5.16200  1.000 123.22574 ? 324 GLY A CA   1 
ATOM   3    C  C    . GLY A 1 5   ? -4.80000  -20.43900 -6.67300  1.000 111.02948 ? 324 GLY A C    1 
ATOM   4    O  O    . GLY A 1 5   ? -3.76000  -20.06000 -7.21000  1.000 111.35244 ? 324 GLY A O    1 
ATOM   5    H  HA2  . GLY A 1 5   ? -5.65700  -21.14300 -4.93000  1.000 148.08420 ? 324 GLY A HA2  1 
ATOM   6    H  HA3  . GLY A 1 5   ? -4.91000  -19.79100 -4.71500  1.000 148.08420 ? 324 GLY A HA3  1 
ATOM   7    N  N    . SER A 1 6   ? -5.92300  -20.64200 -7.36000  1.000 134.51293 ? 325 SER A N    1 
ATOM   8    C  CA   . SER A 1 6   ? -5.94500  -20.72700 -8.82100  1.000 114.32410 ? 325 SER A CA   1 
ATOM   9    C  C    . SER A 1 6   ? -7.04300  -19.70500 -9.14300  1.000 106.65925 ? 325 SER A C    1 
ATOM   10   O  O    . SER A 1 6   ? -8.21700  -20.07900 -9.30300  1.000 139.83284 ? 325 SER A O    1 
ATOM   11   C  CB   . SER A 1 6   ? -6.25500  -22.15900 -9.25000  1.000 139.55058 ? 325 SER A CB   1 
ATOM   12   O  OG   . SER A 1 6   ? -6.24800  -22.28900 -10.65100 1.000 108.66041 ? 325 SER A OG   1 
ATOM   13   H  H    . SER A 1 6   ? -6.69500  -20.73500 -6.99200  1.000 161.62883 ? 325 SER A H    1 
ATOM   14   H  HA   . SER A 1 6   ? -5.11700  -20.53100 -9.28600  1.000 137.40223 ? 325 SER A HA   1 
ATOM   15   H  HB2  . SER A 1 6   ? -5.60100  -22.76300 -8.86400  1.000 167.67401 ? 325 SER A HB2  1 
ATOM   16   H  HB3  . SER A 1 6   ? -7.12200  -22.42200 -8.90400  1.000 167.67401 ? 325 SER A HB3  1 
ATOM   17   H  HG   . SER A 1 6   ? -6.75000  -21.70600 -10.98900 1.000 130.60580 ? 325 SER A HG   1 
ATOM   18   N  N    . HIS A 1 7   ? -6.64700  -18.43100 -9.28500  1.000 84.39206  ? 326 HIS A N    1 
ATOM   19   C  CA   . HIS A 1 7   ? -7.64500  -17.37700 -9.42000  1.000 77.74289  ? 326 HIS A CA   1 
ATOM   20   C  C    . HIS A 1 7   ? -7.58300  -16.58100 -10.72800 1.000 73.55177  ? 326 HIS A C    1 
ATOM   21   O  O    . HIS A 1 7   ? -6.68900  -16.76600 -11.55300 1.000 70.38762  ? 326 HIS A O    1 
ATOM   22   C  CB   . HIS A 1 7   ? -7.59700  -16.46900 -8.17300  1.000 81.66135  ? 326 HIS A CB   1 
ATOM   23   C  CG   . HIS A 1 7   ? -8.20200  -17.12000 -6.95400  1.000 87.22257  ? 326 HIS A CG   1 
ATOM   24   N  ND1  . HIS A 1 7   ? -7.46400  -17.88000 -6.07300  1.000 103.84765 ? 326 HIS A ND1  1 
ATOM   25   C  CD2  . HIS A 1 7   ? -9.47100  -17.12200 -6.48100  1.000 85.87422  ? 326 HIS A CD2  1 
ATOM   26   C  CE1  . HIS A 1 7   ? -8.25200  -18.32100 -5.10800  1.000 100.11105 ? 326 HIS A CE1  1 
ATOM   27   N  NE2  . HIS A 1 7   ? -9.47400  -17.87500 -5.33200  1.000 93.50643  ? 326 HIS A NE2  1 
ATOM   28   H  H    . HIS A 1 7   ? -5.82800  -18.16800 -9.30500  1.000 100.20392 ? 326 HIS A H    1 
ATOM   29   H  HA   . HIS A 1 7   ? -8.50800  -17.81600 -9.47400  1.000 92.22490  ? 326 HIS A HA   1 
ATOM   30   H  HB2  . HIS A 1 7   ? -6.67500  -16.23300 -7.98500  1.000 96.92706  ? 326 HIS A HB2  1 
ATOM   31   H  HB3  . HIS A 1 7   ? -8.06900  -15.64300 -8.36100  1.000 96.92706  ? 326 HIS A HB3  1 
ATOM   32   H  HD2  . HIS A 1 7   ? -10.20300 -16.69400 -6.86300  1.000 103.26238 ? 326 HIS A HD2  1 
ATOM   33   H  HE1  . HIS A 1 7   ? -7.99000  -18.85500 -4.39300  1.000 119.06670 ? 326 HIS A HE1  1 
ATOM   34   H  HE2  . HIS A 1 7   ? -10.16100 -18.03100 -4.83800  1.000 111.14115 ? 326 HIS A HE2  1 
ATOM   35   N  N    . CYS A 1 8   ? -8.57800  -15.71000 -10.89300 1.000 65.11970  ? 327 CYS A N    1 
ATOM   36   C  CA   . CYS A 1 8   ? -8.84200  -14.97800 -12.11400 1.000 58.51489  ? 327 CYS A CA   1 
ATOM   37   C  C    . CYS A 1 8   ? -7.72100  -14.01200 -12.48100 1.000 65.48315  ? 327 CYS A C    1 
ATOM   38   O  O    . CYS A 1 8   ? -7.51600  -13.03900 -11.77700 1.000 60.34400  ? 327 CYS A O    1 
ATOM   39   C  CB   . CYS A 1 8   ? -10.18200 -14.24700 -11.96400 1.000 62.31577  ? 327 CYS A CB   1 
ATOM   40   S  SG   . CYS A 1 8   ? -10.59000 -13.12200 -13.32100 1.000 53.83539  ? 327 CYS A SG   1 
ATOM   41   H  H    . CYS A 1 8   ? -9.13700  -15.52700 -10.26600 1.000 77.44129  ? 327 CYS A H    1 
ATOM   42   H  HA   . CYS A 1 8   ? -8.88800  -15.61100 -12.84700 1.000 69.63287  ? 327 CYS A HA   1 
ATOM   43   H  HB2  . CYS A 1 8   ? -10.88900 -14.90700 -11.88400 1.000 74.99223  ? 327 CYS A HB2  1 
ATOM   44   H  HB3  . CYS A 1 8   ? -10.17000 -13.74300 -11.13500 1.000 74.99223  ? 327 CYS A HB3  1 
ATOM   45   N  N    . GLN A 1 9   ? -7.04900  -14.25000 -13.62100 1.000 56.97154  ? 328 GLN A N    1 
ATOM   46   C  CA   . GLN A 1 9   ? -5.99300  -13.35800 -14.07500 1.000 57.18017  ? 328 GLN A CA   1 
ATOM   47   C  C    . GLN A 1 9   ? -5.72700  -13.41300 -15.57400 1.000 53.50032  ? 328 GLN A C    1 
ATOM   48   O  O    . GLN A 1 9   ? -6.18400  -14.32100 -16.25300 1.000 51.82124  ? 328 GLN A O    1 
ATOM   49   C  CB   . GLN A 1 9   ? -4.68900  -13.70400 -13.38900 1.000 64.18904  ? 328 GLN A CB   1 
ATOM   50   C  CG   . GLN A 1 9   ? -4.31700  -15.14700 -13.58900 1.000 67.23959  ? 328 GLN A CG   1 
ATOM   51   C  CD   . GLN A 1 9   ? -3.20900  -15.51700 -12.67300 1.000 79.38029  ? 328 GLN A CD   1 
ATOM   52   O  OE1  . GLN A 1 9   ? -2.09400  -15.00800 -12.80200 1.000 89.75645  ? 328 GLN A OE1  1 
ATOM   53   N  NE2  . GLN A 1 9   ? -3.52000  -16.40400 -11.71800 1.000 84.74892  ? 328 GLN A NE2  1 
ATOM   54   H  H    . GLN A 1 9   ? -7.19600  -14.92200 -14.13700 1.000 67.29929  ? 328 GLN A H    1 
ATOM   55   H  HA   . GLN A 1 9   ? -6.30800  -12.46800 -13.85300 1.000 67.54964  ? 328 GLN A HA   1 
ATOM   56   H  HB2  . GLN A 1 9   ? -3.98200  -13.13700 -13.73400 1.000 75.96029  ? 328 GLN A HB2  1 
ATOM   57   H  HB3  . GLN A 1 9   ? -4.76400  -13.51800 -12.44000 1.000 75.96029  ? 328 GLN A HB3  1 
ATOM   58   H  HG2  . GLN A 1 9   ? -5.08700  -15.71300 -13.42300 1.000 79.62095  ? 328 GLN A HG2  1 
ATOM   59   H  HG3  . GLN A 1 9   ? -4.04900  -15.29500 -14.50900 1.000 79.62095  ? 328 GLN A HG3  1 
ATOM   60   H  HE21 . GLN A 1 9   ? -4.31600  -16.72800 -11.67400 1.000 101.91202 ? 328 GLN A HE21 1 
ATOM   61   H  HE22 . GLN A 1 9   ? -2.92400  -16.64900 -11.14900 1.000 101.91202 ? 328 GLN A HE22 1 
ATOM   62   N  N    . LYS A 1 10  ? -4.95400  -12.43000 -16.03400 1.000 53.16792  ? 329 LYS A N    1 
ATOM   63   C  CA   . LYS A 1 10  ? -4.50500  -12.31600 -17.40300 1.000 66.56021  ? 329 LYS A CA   1 
ATOM   64   C  C    . LYS A 1 10  ? -3.37800  -13.29500 -17.71000 1.000 55.08137  ? 329 LYS A C    1 
ATOM   65   O  O    . LYS A 1 10  ? -2.43100  -13.35600 -16.95600 1.000 60.04333  ? 329 LYS A O    1 
ATOM   66   C  CB   . LYS A 1 10  ? -4.03500  -10.88300 -17.61100 1.000 60.78952  ? 329 LYS A CB   1 
ATOM   67   C  CG   . LYS A 1 10  ? -3.74000  -10.60000 -19.01100 1.000 68.53962  ? 329 LYS A CG   1 
ATOM   68   C  CD   . LYS A 1 10  ? -3.58000  -9.19800  -19.29600 1.000 56.69073  ? 329 LYS A CD   1 
ATOM   69   C  CE   . LYS A 1 10  ? -2.30900  -8.65500  -18.85800 1.000 51.41487  ? 329 LYS A CE   1 
ATOM   70   N  NZ   . LYS A 1 10  ? -1.86200  -7.69300  -19.86700 1.000 83.24381  ? 329 LYS A NZ   1 
ATOM   71   H  H    . LYS A 1 10  ? -4.67100  -11.79200 -15.53200 1.000 62.73495  ? 329 LYS A H    1 
ATOM   72   H  HA   . LYS A 1 10  ? -5.23400  -12.53300 -18.00500 1.000 80.08556  ? 329 LYS A HA   1 
ATOM   73   H  HB2  . LYS A 1 10  ? -4.71800  -10.27100 -17.29600 1.000 73.16074  ? 329 LYS A HB2  1 
ATOM   74   H  HB3  . LYS A 1 10  ? -3.24200  -10.72300 -17.07600 1.000 73.16074  ? 329 LYS A HB3  1 
ATOM   75   H  HG2  . LYS A 1 10  ? -2.92900  -11.06800 -19.26300 1.000 82.46085  ? 329 LYS A HG2  1 
ATOM   76   H  HG3  . LYS A 1 10  ? -4.45500  -10.95500 -19.56200 1.000 82.46085  ? 329 LYS A HG3  1 
ATOM   77   H  HD2  . LYS A 1 10  ? -3.67000  -9.05800  -20.25200 1.000 68.24219  ? 329 LYS A HD2  1 
ATOM   78   H  HD3  . LYS A 1 10  ? -4.29800  -8.70500  -18.86800 1.000 68.24219  ? 329 LYS A HD3  1 
ATOM   79   H  HE2  . LYS A 1 10  ? -2.40300  -8.22300  -17.99500 1.000 61.63126  ? 329 LYS A HE2  1 
ATOM   80   H  HE3  . LYS A 1 10  ? -1.65500  -9.36400  -18.75100 1.000 61.63126  ? 329 LYS A HE3  1 
ATOM   81   H  HZ1  . LYS A 1 10  ? -1.38700  -7.05100  -19.47500 1.000 100.10588 ? 329 LYS A HZ1  1 
ATOM   82   H  HZ2  . LYS A 1 10  ? -1.35700  -8.10900  -20.47100 1.000 100.10588 ? 329 LYS A HZ2  1 
ATOM   83   H  HZ3  . LYS A 1 10  ? -2.57000  -7.33400  -20.27000 1.000 100.10588 ? 329 LYS A HZ3  1 
ATOM   84   N  N    . THR A 1 11  ? -3.49000  -14.04200 -18.81600 1.000 53.15009  ? 330 THR A N    1 
ATOM   85   C  CA   . THR A 1 11  ? -2.46500  -14.96200 -19.28500 1.000 57.03471  ? 330 THR A CA   1 
ATOM   86   C  C    . THR A 1 11  ? -2.31200  -14.69100 -20.77500 1.000 54.28199  ? 330 THR A C    1 
ATOM   87   O  O    . THR A 1 11  ? -3.14900  -14.03800 -21.39600 1.000 49.75710  ? 330 THR A O    1 
ATOM   88   C  CB   . THR A 1 11  ? -2.80500  -16.44500 -19.00300 1.000 62.16911  ? 330 THR A CB   1 
ATOM   89   O  OG1  . THR A 1 11  ? -4.01800  -16.79800 -19.65800 1.000 60.58952  ? 330 THR A OG1  1 
ATOM   90   C  CG2  . THR A 1 11  ? -3.02800  -16.73400 -17.51800 1.000 70.00585  ? 330 THR A CG2  1 
ATOM   91   H  H    . THR A 1 11  ? -4.18500  -14.02200 -19.32200 1.000 62.71355  ? 330 THR A H    1 
ATOM   92   H  HA   . THR A 1 11  ? -1.63400  -14.81300 -18.80700 1.000 67.37509  ? 330 THR A HA   1 
ATOM   93   H  HB   . THR A 1 11  ? -2.04400  -16.95400 -19.32400 1.000 74.81625  ? 330 THR A HB   1 
ATOM   94   H  HG1  . THR A 1 11  ? -3.85400  -17.34200 -20.27700 1.000 72.92074  ? 330 THR A HG1  1 
ATOM   95   H  HG21 . THR A 1 11  ? -3.23700  -17.67400 -17.39900 1.000 84.22033  ? 330 THR A HG21 1 
ATOM   96   H  HG22 . THR A 1 11  ? -2.22400  -16.51700 -17.02100 1.000 84.22033  ? 330 THR A HG22 1 
ATOM   97   H  HG23 . THR A 1 11  ? -3.76500  -16.19500 -17.19000 1.000 84.22033  ? 330 THR A HG23 1 
ATOM   98   N  N    . SER A 1 12  ? -1.22700  -15.18700 -21.34100 1.000 57.80868  ? 331 SER A N    1 
ATOM   99   C  CA   . SER A 1 12  ? -0.93300  -14.91100 -22.72800 1.000 56.54129  ? 331 SER A CA   1 
ATOM   100  C  C    . SER A 1 12  ? -1.86700  -15.67200 -23.66000 1.000 54.08730  ? 331 SER A C    1 
ATOM   101  O  O    . SER A 1 12  ? -2.29700  -16.78800 -23.38200 1.000 55.54894  ? 331 SER A O    1 
ATOM   102  C  CB   . SER A 1 12  ? 0.52200   -15.27000 -23.03700 1.000 61.57420  ? 331 SER A CB   1 
ATOM   103  O  OG   . SER A 1 12  ? 0.75400   -16.52700 -22.44800 1.000 82.50283  ? 331 SER A OG   1 
ATOM   104  H  H    . SER A 1 12  ? -0.65100  -15.68400 -20.94000 1.000 68.30385  ? 331 SER A H    1 
ATOM   105  H  HA   . SER A 1 12  ? -1.07100  -13.96300 -22.87800 1.000 68.06286  ? 331 SER A HA   1 
ATOM   106  H  HB2  . SER A 1 12  ? 0.67400   -15.30300 -23.99400 1.000 72.82248  ? 331 SER A HB2  1 
ATOM   107  H  HB3  . SER A 1 12  ? 1.12700   -14.60300 -22.67700 1.000 72.82248  ? 331 SER A HB3  1 
ATOM   108  H  HG   . SER A 1 12  ? 0.02800   -16.94500 -22.38400 1.000 99.21670  ? 331 SER A HG   1 
ATOM   109  N  N    . LEU A 1 13  ? -2.13800  -15.04700 -24.79400 1.000 51.41721  ? 332 LEU A N    1 
ATOM   110  C  CA   . LEU A 1 13  ? -2.80000  -15.71500 -25.89600 1.000 57.19615  ? 332 LEU A CA   1 
ATOM   111  C  C    . LEU A 1 13  ? -2.36400  -14.99100 -27.16200 1.000 50.88263  ? 332 LEU A C    1 
ATOM   112  O  O    . LEU A 1 13  ? -2.72900  -13.82700 -27.37700 1.000 49.82080  ? 332 LEU A O    1 
ATOM   113  C  CB   . LEU A 1 13  ? -4.32400  -15.67200 -25.69200 1.000 47.36387  ? 332 LEU A CB   1 
ATOM   114  C  CG   . LEU A 1 13  ? -5.14000  -16.26100 -26.86800 1.000 55.18230  ? 332 LEU A CG   1 
ATOM   115  C  CD1  . LEU A 1 13  ? -4.84900  -17.71000 -27.03400 1.000 51.48375  ? 332 LEU A CD1  1 
ATOM   116  C  CD2  . LEU A 1 13  ? -6.64700  -16.06800 -26.65000 1.000 44.59044  ? 332 LEU A CD2  1 
ATOM   117  H  H    . LEU A 1 13  ? -1.94300  -14.22300 -24.94500 1.000 60.63410  ? 332 LEU A H    1 
ATOM   118  H  HA   . LEU A 1 13  ? -2.55900  -16.65300 -25.95600 1.000 68.84870  ? 332 LEU A HA   1 
ATOM   119  H  HB2  . LEU A 1 13  ? -4.54500  -16.15900 -24.88300 1.000 55.77008  ? 332 LEU A HB2  1 
ATOM   120  H  HB3  . LEU A 1 13  ? -4.59500  -14.75100 -25.55300 1.000 55.77008  ? 332 LEU A HB3  1 
ATOM   121  H  HG   . LEU A 1 13  ? -4.87700  -15.78500 -27.67100 1.000 66.43207  ? 332 LEU A HG   1 
ATOM   122  H  HD11 . LEU A 1 13  ? -5.36800  -18.06200 -27.77400 1.000 60.71394  ? 332 LEU A HD11 1 
ATOM   123  H  HD12 . LEU A 1 13  ? -3.90400  -17.83200 -27.21600 1.000 60.71394  ? 332 LEU A HD12 1 
ATOM   124  H  HD13 . LEU A 1 13  ? -5.08500  -18.18300 -26.22100 1.000 60.71394  ? 332 LEU A HD13 1 
ATOM   125  H  HD21 . LEU A 1 13  ? -7.13400  -16.44500 -27.40000 1.000 52.44196  ? 332 LEU A HD21 1 
ATOM   126  H  HD22 . LEU A 1 13  ? -6.91600  -16.51600 -25.83300 1.000 52.44196  ? 332 LEU A HD22 1 
ATOM   127  H  HD23 . LEU A 1 13  ? -6.84500  -15.12100 -26.58000 1.000 52.44196  ? 332 LEU A HD23 1 
ATOM   128  N  N    . ARG A 1 14  ? -1.54000  -15.65800 -27.96300 1.000 54.35910  ? 333 ARG A N    1 
ATOM   129  C  CA   . ARG A 1 14  ? -1.04400  -15.09700 -29.21100 1.000 55.28119  ? 333 ARG A CA   1 
ATOM   130  C  C    . ARG A 1 14  ? -1.93900  -15.57400 -30.34700 1.000 55.43175  ? 333 ARG A C    1 
ATOM   131  O  O    . ARG A 1 14  ? -2.09800  -16.78100 -30.55600 1.000 60.15141  ? 333 ARG A O    1 
ATOM   132  C  CB   . ARG A 1 14  ? 0.41000   -15.49700 -29.45100 1.000 60.03832  ? 333 ARG A CB   1 
ATOM   133  C  CG   . ARG A 1 14  ? 0.93000   -15.11600 -30.82800 1.000 101.07827 ? 333 ARG A CG   1 
ATOM   134  C  CD   . ARG A 1 14  ? 2.44800   -15.13500 -30.87200 1.000 100.92873 ? 333 ARG A CD   1 
ATOM   135  N  NE   . ARG A 1 14  ? 3.02500   -13.98500 -30.18600 1.000 119.81160 ? 333 ARG A NE   1 
ATOM   136  C  CZ   . ARG A 1 14  ? 3.29200   -12.82400 -30.76800 1.000 127.90828 ? 333 ARG A CZ   1 
ATOM   137  N  NH1  . ARG A 1 14  ? 3.04500   -12.62200 -32.05200 1.000 97.63814  ? 333 ARG A NH1  1 
ATOM   138  N  NH2  . ARG A 1 14  ? 3.81900   -11.84000 -30.04500 1.000 128.13655 ? 333 ARG A NH2  1 
ATOM   139  H  H    . ARG A 1 14  ? -1.25300  -16.45100 -27.79600 1.000 64.16436  ? 333 ARG A H    1 
ATOM   140  H  HA   . ARG A 1 14  ? -1.06800  -14.12800 -29.16500 1.000 65.33390  ? 333 ARG A HA   1 
ATOM   141  H  HB2  . ARG A 1 14  ? 0.96800   -15.07900 -28.77600 1.000 70.97942  ? 333 ARG A HB2  1 
ATOM   142  H  HB3  . ARG A 1 14  ? 0.49600   -16.45600 -29.33600 1.000 70.97942  ? 333 ARG A HB3  1 
ATOM   143  H  HG2  . ARG A 1 14  ? 0.57800   -15.73100 -31.49000 1.000 121.50723 ? 333 ARG A HG2  1 
ATOM   144  H  HG3  . ARG A 1 14  ? 0.60900   -14.23100 -31.06300 1.000 121.50723 ? 333 ARG A HG3  1 
ATOM   145  H  HD2  . ARG A 1 14  ? 2.77300   -15.95200 -30.46300 1.000 121.32779 ? 333 ARG A HD2  1 
ATOM   146  H  HD3  . ARG A 1 14  ? 2.74500   -15.14300 -31.79600 1.000 121.32779 ? 333 ARG A HD3  1 
ATOM   147  H  HE   . ARG A 1 14  ? 3.20400   -14.06500 -29.34900 1.000 143.98723 ? 333 ARG A HE   1 
ATOM   148  H  HH11 . ARG A 1 14  ? 2.70400   -13.25100 -32.52800 1.000 117.37909 ? 333 ARG A HH11 1 
ATOM   149  H  HH12 . ARG A 1 14  ? 3.22600   -11.86100 -32.41000 1.000 117.37909 ? 333 ARG A HH12 1 
ATOM   150  H  HH21 . ARG A 1 14  ? 3.98300   -11.96100 -29.20900 1.000 153.97717 ? 333 ARG A HH21 1 
ATOM   151  H  HH22 . ARG A 1 14  ? 3.99600   -11.08300 -30.41300 1.000 153.97717 ? 333 ARG A HH22 1 
ATOM   152  N  N    . VAL A 1 15  ? -2.52100  -14.62600 -31.07400 1.000 53.52212  ? 334 VAL A N    1 
ATOM   153  C  CA   . VAL A 1 15  ? -3.55000  -14.90500 -32.06500 1.000 54.11987  ? 334 VAL A CA   1 
ATOM   154  C  C    . VAL A 1 15  ? -2.98200  -14.64000 -33.45600 1.000 57.52044  ? 334 VAL A C    1 
ATOM   155  O  O    . VAL A 1 15  ? -2.59500  -13.51600 -33.76400 1.000 56.96934  ? 334 VAL A O    1 
ATOM   156  C  CB   . VAL A 1 15  ? -4.81100  -14.03800 -31.83500 1.000 50.49610  ? 334 VAL A CB   1 
ATOM   157  C  CG1  . VAL A 1 15  ? -5.78000  -14.12800 -33.02500 1.000 55.00375  ? 334 VAL A CG1  1 
ATOM   158  C  CG2  . VAL A 1 15  ? -5.48400  -14.44400 -30.56000 1.000 57.50015  ? 334 VAL A CG2  1 
ATOM   159  H  H    . VAL A 1 15  ? -2.32600  -13.79100 -31.00300 1.000 63.15998  ? 334 VAL A H    1 
ATOM   160  H  HA   . VAL A 1 15  ? -3.81500  -15.83400 -31.98200 1.000 63.87729  ? 334 VAL A HA   1 
ATOM   161  H  HB   . VAL A 1 15  ? -4.53500  -13.11100 -31.76100 1.000 59.52876  ? 334 VAL A HB   1 
ATOM   162  H  HG11 . VAL A 1 15  ? -6.55800  -13.57600 -32.85100 1.000 66.21781  ? 334 VAL A HG11 1 
ATOM   163  H  HG12 . VAL A 1 15  ? -5.33500  -13.81600 -33.82900 1.000 66.21781  ? 334 VAL A HG12 1 
ATOM   164  H  HG13 . VAL A 1 15  ? -6.05900  -15.04900 -33.14700 1.000 66.21781  ? 334 VAL A HG13 1 
ATOM   165  H  HG21 . VAL A 1 15  ? -6.27300  -13.89700 -30.42200 1.000 69.21349  ? 334 VAL A HG21 1 
ATOM   166  H  HG22 . VAL A 1 15  ? -5.74300  -15.37700 -30.61400 1.000 69.21349  ? 334 VAL A HG22 1 
ATOM   167  H  HG23 . VAL A 1 15  ? -4.87200  -14.32100 -29.81700 1.000 69.21349  ? 334 VAL A HG23 1 
ATOM   168  N  N    . ASN A 1 16  ? -3.01000  -15.67700 -34.29000 1.000 65.52330  ? 335 ASN A N    1 
ATOM   169  C  CA   . ASN A 1 16  ? -2.66200  -15.60200 -35.71000 1.000 65.88661  ? 335 ASN A CA   1 
ATOM   170  C  C    . ASN A 1 16  ? -3.92500  -15.35200 -36.54800 1.000 66.76724  ? 335 ASN A C    1 
ATOM   171  O  O    . ASN A 1 16  ? -4.88900  -16.13000 -36.50500 1.000 67.46941  ? 335 ASN A O    1 
ATOM   172  C  CB   . ASN A 1 16  ? -1.95300  -16.90700 -36.12600 1.000 70.97792  ? 335 ASN A CB   1 
ATOM   173  C  CG   . ASN A 1 16  ? -1.40400  -16.86500 -37.54300 1.000 78.35079  ? 335 ASN A CG   1 
ATOM   174  O  OD1  . ASN A 1 16  ? -2.12800  -16.58300 -38.49500 1.000 78.18478  ? 335 ASN A OD1  1 
ATOM   175  N  ND2  . ASN A 1 16  ? -0.11000  -17.11000 -37.72600 1.000 79.46573  ? 335 ASN A ND2  1 
ATOM   176  H  H    . ASN A 1 16  ? -3.23900  -16.46700 -34.03900 1.000 78.84127  ? 335 ASN A H    1 
ATOM   177  H  HA   . ASN A 1 16  ? -2.05600  -14.86100 -35.86600 1.000 77.99738  ? 335 ASN A HA   1 
ATOM   178  H  HB2  . ASN A 1 16  ? -1.22600  -17.08400 -35.50900 1.000 84.10694  ? 335 ASN A HB2  1 
ATOM   179  H  HB3  . ASN A 1 16  ? -2.57700  -17.64600 -36.04900 1.000 84.10694  ? 335 ASN A HB3  1 
ATOM   180  H  HD21 . ASN A 1 16  ? 0.22700   -17.07200 -38.51600 1.000 94.29232  ? 335 ASN A HD21 1 
ATOM   181  H  HD22 . ASN A 1 16  ? 0.39000   -17.30700 -37.05400 1.000 94.29232  ? 335 ASN A HD22 1 
ATOM   182  N  N    . PHE A 1 17  ? -3.93600  -14.24200 -37.28600 1.000 61.56913  ? 336 PHE A N    1 
ATOM   183  C  CA   . PHE A 1 17  ? -5.11900  -13.82200 -38.02100 1.000 60.70239  ? 336 PHE A CA   1 
ATOM   184  C  C    . PHE A 1 17  ? -5.50800  -14.76200 -39.17300 1.000 64.28736  ? 336 PHE A C    1 
ATOM   185  O  O    . PHE A 1 17  ? -6.69500  -14.90600 -39.45200 1.000 63.66159  ? 336 PHE A O    1 
ATOM   186  C  CB   . PHE A 1 17  ? -4.96700  -12.39500 -38.54800 1.000 60.01909  ? 336 PHE A CB   1 
ATOM   187  C  CG   . PHE A 1 17  ? -5.02200  -11.30600 -37.50400 1.000 56.21345  ? 336 PHE A CG   1 
ATOM   188  C  CD1  . PHE A 1 17  ? -6.09700  -11.20700 -36.63400 1.000 63.50662  ? 336 PHE A CD1  1 
ATOM   189  C  CD2  . PHE A 1 17  ? -3.98700  -10.40200 -37.36700 1.000 56.36219  ? 336 PHE A CD2  1 
ATOM   190  C  CE1  . PHE A 1 17  ? -6.15000  -10.20800 -35.67900 1.000 49.77157  ? 336 PHE A CE1  1 
ATOM   191  C  CE2  . PHE A 1 17  ? -4.03500  -9.41600  -36.40200 1.000 63.10471  ? 336 PHE A CE2  1 
ATOM   192  C  CZ   . PHE A 1 17  ? -5.12200  -9.31600  -35.56200 1.000 49.97693  ? 336 PHE A CZ   1 
ATOM   193  H  H    . PHE A 1 17  ? -3.26000  -13.71700 -37.37200 1.000 72.81640  ? 336 PHE A H    1 
ATOM   194  H  HA   . PHE A 1 17  ? -5.84200  -13.85800 -37.37500 1.000 71.77632  ? 336 PHE A HA   1 
ATOM   195  H  HB2  . PHE A 1 17  ? -4.12100  -12.32900 -39.01700 1.000 70.95635  ? 336 PHE A HB2  1 
ATOM   196  H  HB3  . PHE A 1 17  ? -5.66600  -12.23200 -39.20000 1.000 70.95635  ? 336 PHE A HB3  1 
ATOM   197  H  HD1  . PHE A 1 17  ? -6.79300  -11.82100 -36.69300 1.000 76.42125  ? 336 PHE A HD1  1 
ATOM   198  H  HD2  . PHE A 1 17  ? -3.25000  -10.45800 -37.93100 1.000 66.56806  ? 336 PHE A HD2  1 
ATOM   199  H  HE1  . PHE A 1 17  ? -6.88700  -10.14300 -35.11500 1.000 58.65932  ? 336 PHE A HE1  1 
ATOM   200  H  HE2  . PHE A 1 17  ? -3.32900  -8.81600  -36.31900 1.000 75.93897  ? 336 PHE A HE2  1 
ATOM   201  H  HZ   . PHE A 1 17  ? -5.15600  -8.64500  -34.91900 1.000 58.90576  ? 336 PHE A HZ   1 
ATOM   202  N  N    . GLU A 1 18  ? -4.52700  -15.43900 -39.78200 1.000 68.28509  ? 337 GLU A N    1 
ATOM   203  C  CA   . GLU A 1 18  ? -4.79000  -16.47600 -40.76500 1.000 72.24471  ? 337 GLU A CA   1 
ATOM   204  C  C    . GLU A 1 18  ? -5.66500  -17.56300 -40.15400 1.000 71.55210  ? 337 GLU A C    1 
ATOM   205  O  O    . GLU A 1 18  ? -6.59600  -18.05000 -40.80100 1.000 73.75554  ? 337 GLU A O    1 
ATOM   206  C  CB   . GLU A 1 18  ? -3.49100  -17.09000 -41.29600 1.000 76.76742  ? 337 GLU A CB   1 
ATOM   207  C  CG   . GLU A 1 18  ? -3.70800  -17.95500 -42.51200 1.000 110.88639 ? 337 GLU A CG   1 
ATOM   208  C  CD   . GLU A 1 18  ? -2.43300  -18.48800 -43.13200 1.000 115.95560 ? 337 GLU A CD   1 
ATOM   209  O  OE1  . GLU A 1 18  ? -1.75100  -19.30500 -42.47100 1.000 120.64138 ? 337 GLU A OE1  1 
ATOM   210  O  OE2  . GLU A 1 18  ? -2.10900  -18.08100 -44.27100 1.000 124.20419 ? 337 GLU A OE2  1 
ATOM   211  H  H    . GLU A 1 18  ? -3.69100  -15.30400 -39.63100 1.000 80.87555  ? 337 GLU A H    1 
ATOM   212  H  HA   . GLU A 1 18  ? -5.25400  -16.06700 -41.51200 1.000 85.62709  ? 337 GLU A HA   1 
ATOM   213  H  HB2  . GLU A 1 18  ? -2.86900  -16.37900 -41.51700 1.000 91.05435  ? 337 GLU A HB2  1 
ATOM   214  H  HB3  . GLU A 1 18  ? -3.07900  -17.62100 -40.59600 1.000 91.05435  ? 337 GLU A HB3  1 
ATOM   215  H  HG2  . GLU A 1 18  ? -4.27400  -18.70400 -42.26700 1.000 133.27698 ? 337 GLU A HG2  1 
ATOM   216  H  HG3  . GLU A 1 18  ? -4.19000  -17.44200 -43.17900 1.000 133.27698 ? 337 GLU A HG3  1 
ATOM   217  N  N    . ASP A 1 19  ? -5.38900  -17.89900 -38.89000 1.000 87.79388  ? 338 ASP A N    1 
ATOM   218  C  CA   . ASP A 1 19  ? -6.05300  -19.00000 -38.21600 1.000 73.09263  ? 338 ASP A CA   1 
ATOM   219  C  C    . ASP A 1 19  ? -7.51500  -18.70300 -37.93500 1.000 66.52819  ? 338 ASP A C    1 
ATOM   220  O  O    . ASP A 1 19  ? -8.31400  -19.64000 -37.92800 1.000 69.87895  ? 338 ASP A O    1 
ATOM   221  C  CB   . ASP A 1 19  ? -5.32300  -19.33800 -36.91500 1.000 68.76513  ? 338 ASP A CB   1 
ATOM   222  C  CG   . ASP A 1 19  ? -3.95200  -19.93900 -37.15500 1.000 95.08074  ? 338 ASP A CG   1 
ATOM   223  O  OD1  . ASP A 1 19  ? -3.58300  -20.13300 -38.33300 1.000 82.26511  ? 338 ASP A OD1  1 
ATOM   224  O  OD2  . ASP A 1 19  ? -3.24300  -20.21900 -36.16600 1.000 91.85622  ? 338 ASP A OD2  1 
ATOM   225  H  H    . ASP A 1 19  ? -4.80900  -17.48900 -38.40500 1.000 105.56596 ? 338 ASP A H    1 
ATOM   226  H  HA   . ASP A 1 19  ? -6.02300  -19.76500 -38.81200 1.000 87.92447  ? 338 ASP A HA   1 
ATOM   227  H  HB2  . ASP A 1 19  ? -5.23100  -18.53300 -36.38100 1.000 82.42640  ? 338 ASP A HB2  1 
ATOM   228  H  HB3  . ASP A 1 19  ? -5.85900  -19.96000 -36.39900 1.000 82.42640  ? 338 ASP A HB3  1 
ATOM   229  N  N    . ILE A 1 20  ? -7.88000  -17.43600 -37.68900 1.000 69.65478  ? 339 ILE A N    1 
ATOM   230  C  CA   . ILE A 1 20  ? -9.27100  -17.04500 -37.48200 1.000 61.77169  ? 339 ILE A CA   1 
ATOM   231  C  C    . ILE A 1 20  ? -9.99400  -16.46400 -38.70900 1.000 61.64054  ? 339 ILE A C    1 
ATOM   232  O  O    . ILE A 1 20  ? -11.12100 -15.99000 -38.59000 1.000 62.56606  ? 339 ILE A O    1 
ATOM   233  C  CB   . ILE A 1 20  ? -9.39500  -16.08200 -36.28300 1.000 56.01244  ? 339 ILE A CB   1 
ATOM   234  C  CG1  . ILE A 1 20  ? -8.75700  -14.73100 -36.54500 1.000 71.94762  ? 339 ILE A CG1  1 
ATOM   235  C  CG2  . ILE A 1 20  ? -8.82000  -16.71100 -35.01600 1.000 62.95827  ? 339 ILE A CG2  1 
ATOM   236  C  CD1  . ILE A 1 20  ? -9.19400  -13.73300 -35.71600 1.000 55.04343  ? 339 ILE A CD1  1 
ATOM   237  H  H    . ILE A 1 20  ? -7.32200  -16.78300 -37.63900 1.000 83.79905  ? 339 ILE A H    1 
ATOM   238  H  HA   . ILE A 1 20  ? -9.72900  -17.88000 -37.29700 1.000 74.33934  ? 339 ILE A HA   1 
ATOM   239  H  HB   . ILE A 1 20  ? -10.34300 -15.92500 -36.15300 1.000 66.14837  ? 339 ILE A HB   1 
ATOM   240  H  HG12 . ILE A 1 20  ? -7.79500  -14.81600 -36.45300 1.000 86.55045  ? 339 ILE A HG12 1 
ATOM   241  H  HG13 . ILE A 1 20  ? -8.93300  -14.47400 -37.46400 1.000 86.55045  ? 339 ILE A HG13 1 
ATOM   242  H  HG21 . ILE A 1 20  ? -8.90900  -16.08900 -34.27700 1.000 75.76324  ? 339 ILE A HG21 1 
ATOM   243  H  HG22 . ILE A 1 20  ? -9.30300  -17.52700 -34.81100 1.000 75.76324  ? 339 ILE A HG22 1 
ATOM   244  H  HG23 . ILE A 1 20  ? -7.88200  -16.91700 -35.15400 1.000 75.76324  ? 339 ILE A HG23 1 
ATOM   245  H  HD11 . ILE A 1 20  ? -8.74400  -12.90400 -35.94200 1.000 66.26543  ? 339 ILE A HD11 1 
ATOM   246  H  HD12 . ILE A 1 20  ? -10.15200 -13.62000 -35.82200 1.000 66.26543  ? 339 ILE A HD12 1 
ATOM   247  H  HD13 . ILE A 1 20  ? -8.99600  -13.96700 -34.79600 1.000 66.26543  ? 339 ILE A HD13 1 
ATOM   248  N  N    . GLY A 1 21  ? -9.37500  -16.55900 -39.89400 1.000 64.75496  ? 340 GLY A N    1 
ATOM   249  C  CA   . GLY A 1 21  ? -9.98600  -16.12700 -41.13900 1.000 68.02873  ? 340 GLY A CA   1 
ATOM   250  C  C    . GLY A 1 21  ? -10.00000 -14.62400 -41.42100 1.000 71.10207  ? 340 GLY A C    1 
ATOM   251  O  O    . GLY A 1 21  ? -10.71200 -14.18400 -42.31500 1.000 86.87051  ? 340 GLY A O    1 
ATOM   252  H  H    . GLY A 1 21  ? -8.58300  -16.88000 -39.98900 1.000 76.63939  ? 340 GLY A H    1 
ATOM   253  H  HA2  . GLY A 1 21  ? -9.52400  -16.56600 -41.87000 1.000 81.84779  ? 340 GLY A HA2  1 
ATOM   254  H  HA3  . GLY A 1 21  ? -10.90200 -16.44400 -41.15100 1.000 81.84779  ? 340 GLY A HA3  1 
ATOM   255  N  N    . TRP A 1 22  ? -9.22500  -13.84000 -40.66100 1.000 62.36225  ? 341 TRP A N    1 
ATOM   256  C  CA   . TRP A 1 22  ? -9.17200  -12.39600 -40.84200 1.000 65.18380  ? 341 TRP A CA   1 
ATOM   257  C  C    . TRP A 1 22  ? -8.02500  -11.93200 -41.73600 1.000 72.82985  ? 341 TRP A C    1 
ATOM   258  O  O    . TRP A 1 22  ? -7.91700  -10.75300 -42.04100 1.000 63.63473  ? 341 TRP A O    1 
ATOM   259  C  CB   . TRP A 1 22  ? -9.09100  -11.67400 -39.49100 1.000 62.45528  ? 341 TRP A CB   1 
ATOM   260  C  CG   . TRP A 1 22  ? -10.38800 -11.61200 -38.75600 1.000 53.53522  ? 341 TRP A CG   1 
ATOM   261  C  CD1  . TRP A 1 22  ? -11.53500 -12.30700 -39.03000 1.000 77.31126  ? 341 TRP A CD1  1 
ATOM   262  C  CD2  . TRP A 1 22  ? -10.66900 -10.80700 -37.61000 1.000 49.73405  ? 341 TRP A CD2  1 
ATOM   263  N  NE1  . TRP A 1 22  ? -12.51700 -11.98000 -38.10800 1.000 51.03982  ? 341 TRP A NE1  1 
ATOM   264  C  CE2  . TRP A 1 22  ? -12.01700 -11.03800 -37.24700 1.000 53.94241  ? 341 TRP A CE2  1 
ATOM   265  C  CE3  . TRP A 1 22  ? -9.90300  -9.91700  -36.83200 1.000 61.98797  ? 341 TRP A CE3  1 
ATOM   266  C  CZ2  . TRP A 1 22  ? -12.60300 -10.42600 -36.14400 1.000 48.50318  ? 341 TRP A CZ2  1 
ATOM   267  C  CZ3  . TRP A 1 22  ? -10.49600 -9.29500  -35.75100 1.000 55.19018  ? 341 TRP A CZ3  1 
ATOM   268  C  CH2  . TRP A 1 22  ? -11.82300 -9.57000  -35.40200 1.000 58.38633  ? 341 TRP A CH2  1 
ATOM   269  H  H    . TRP A 1 22  ? -8.72000  -14.13500 -40.03100 1.000 73.76814  ? 341 TRP A H    1 
ATOM   270  H  HA   . TRP A 1 22  ? -9.99800  -12.16300 -41.29300 1.000 78.43387  ? 341 TRP A HA   1 
ATOM   271  H  HB2  . TRP A 1 22  ? -8.43600  -12.12300 -38.93400 1.000 75.15964  ? 341 TRP A HB2  1 
ATOM   272  H  HB3  . TRP A 1 22  ? -8.76900  -10.77100 -39.63700 1.000 75.15964  ? 341 TRP A HB3  1 
ATOM   273  H  HD1  . TRP A 1 22  ? -11.64000 -12.90900 -39.73100 1.000 92.98683  ? 341 TRP A HD1  1 
ATOM   274  H  HE1  . TRP A 1 22  ? -13.30900 -12.31300 -38.08100 1.000 60.18122  ? 341 TRP A HE1  1 
ATOM   275  H  HE3  . TRP A 1 22  ? -9.01300  -9.75100  -37.04300 1.000 74.59888  ? 341 TRP A HE3  1 
ATOM   276  H  HZ2  . TRP A 1 22  ? -13.49000 -10.59000 -35.91700 1.000 58.41713  ? 341 TRP A HZ2  1 
ATOM   277  H  HZ3  . TRP A 1 22  ? -10.00700 -8.68500  -35.24800 1.000 66.44153  ? 341 TRP A HZ3  1 
ATOM   278  H  HH2  . TRP A 1 22  ? -12.18700 -9.16300  -34.64900 1.000 70.27691  ? 341 TRP A HH2  1 
ATOM   279  N  N    . ASP A 1 23  ? -7.18400  -12.86900 -42.16900 1.000 71.03841  ? 342 ASP A N    1 
ATOM   280  C  CA   . ASP A 1 23  ? -6.21600  -12.59900 -43.21800 1.000 79.62991  ? 342 ASP A CA   1 
ATOM   281  C  C    . ASP A 1 23  ? -6.87500  -12.14600 -44.52700 1.000 95.98096  ? 342 ASP A C    1 
ATOM   282  O  O    . ASP A 1 23  ? -6.21700  -11.54900 -45.36700 1.000 105.70612 ? 342 ASP A O    1 
ATOM   283  C  CB   . ASP A 1 23  ? -5.33100  -13.83900 -43.45200 1.000 85.20844  ? 342 ASP A CB   1 
ATOM   284  C  CG   . ASP A 1 23  ? -6.06000  -15.12900 -43.80700 1.000 109.52852 ? 342 ASP A CG   1 
ATOM   285  O  OD1  . ASP A 1 23  ? -7.24700  -15.29100 -43.39700 1.000 77.06106  ? 342 ASP A OD1  1 
ATOM   286  O  OD2  . ASP A 1 23  ? -5.45800  -15.96800 -44.51100 1.000 150.26263 ? 342 ASP A OD2  1 
ATOM   287  H  H    . ASP A 1 23  ? -7.16100  -13.67200 -41.86300 1.000 85.45941  ? 342 ASP A H    1 
ATOM   288  H  HA   . ASP A 1 23  ? -5.66200  -11.86100 -42.91800 1.000 95.76920  ? 342 ASP A HA   1 
ATOM   289  H  HB2  . ASP A 1 23  ? -4.70500  -13.63700 -44.16500 1.000 102.46344 ? 342 ASP A HB2  1 
ATOM   290  H  HB3  . ASP A 1 23  ? -4.80700  -13.99500 -42.65100 1.000 102.46344 ? 342 ASP A HB3  1 
ATOM   291  N  N    . SER A 1 24  ? -8.17800  -12.39900 -44.69900 1.000 73.73101  ? 343 SER A N    1 
ATOM   292  C  CA   . SER A 1 24  ? -8.88000  -11.88800 -45.86700 1.000 115.05066 ? 343 SER A CA   1 
ATOM   293  C  C    . SER A 1 24  ? -8.87000  -10.35800 -45.91000 1.000 85.97841  ? 343 SER A C    1 
ATOM   294  O  O    . SER A 1 24  ? -8.93900  -9.78400  -46.99000 1.000 90.78438  ? 343 SER A O    1 
ATOM   295  C  CB   . SER A 1 24  ? -10.31100 -12.43200 -45.96400 1.000 88.22526  ? 343 SER A CB   1 
ATOM   296  O  OG   . SER A 1 24  ? -11.06900 -12.12100 -44.80800 1.000 122.14197 ? 343 SER A OG   1 
ATOM   297  H  H    . SER A 1 24  ? -8.66200  -12.85800 -44.15600 1.000 87.41065  ? 343 SER A H    1 
ATOM   298  H  HA   . SER A 1 24  ? -8.39500  -12.20900 -46.64400 1.000 138.27410 ? 343 SER A HA   1 
ATOM   299  H  HB2  . SER A 1 24  ? -10.74700 -12.06000 -46.74700 1.000 106.08363 ? 343 SER A HB2  1 
ATOM   300  H  HB3  . SER A 1 24  ? -10.28400 -13.39400 -46.08500 1.000 106.08363 ? 343 SER A HB3  1 
ATOM   301  H  HG   . SER A 1 24  ? -10.86300 -12.64800 -44.18700 1.000 146.78367 ? 343 SER A HG   1 
ATOM   302  N  N    . TRP A 1 25  ? -8.78800  -9.68800  -44.75600 1.000 70.53117  ? 344 TRP A N    1 
ATOM   303  C  CA   . TRP A 1 25  ? -8.73600  -8.23400  -44.77600 1.000 81.82169  ? 344 TRP A CA   1 
ATOM   304  C  C    . TRP A 1 25  ? -7.59400  -7.58200  -43.99400 1.000 75.78194  ? 344 TRP A C    1 
ATOM   305  O  O    . TRP A 1 25  ? -7.27900  -6.43100  -44.25600 1.000 104.28512 ? 344 TRP A O    1 
ATOM   306  C  CB   . TRP A 1 25  ? -10.08800 -7.62900  -44.35900 1.000 69.61638  ? 344 TRP A CB   1 
ATOM   307  C  CG   . TRP A 1 25  ? -10.47600 -7.82000  -42.93600 1.000 90.41423  ? 344 TRP A CG   1 
ATOM   308  C  CD1  . TRP A 1 25  ? -10.90200 -8.96800  -42.33500 1.000 126.83022 ? 344 TRP A CD1  1 
ATOM   309  C  CD2  . TRP A 1 25  ? -10.49600 -6.81000  -41.93200 1.000 90.80895  ? 344 TRP A CD2  1 
ATOM   310  N  NE1  . TRP A 1 25  ? -11.18800 -8.73000  -41.00800 1.000 81.89046  ? 344 TRP A NE1  1 
ATOM   311  C  CE2  . TRP A 1 25  ? -10.94700 -7.41300  -40.73600 1.000 94.77900  ? 344 TRP A CE2  1 
ATOM   312  C  CE3  . TRP A 1 25  ? -10.17600 -5.45000  -41.92600 1.000 78.35721  ? 344 TRP A CE3  1 
ATOM   313  C  CZ2  . TRP A 1 25  ? -11.06800 -6.70100  -39.54800 1.000 91.92778  ? 344 TRP A CZ2  1 
ATOM   314  C  CZ3  . TRP A 1 25  ? -10.30000 -4.74500  -40.74900 1.000 84.25730  ? 344 TRP A CZ3  1 
ATOM   315  C  CH2  . TRP A 1 25  ? -10.74100 -5.36700  -39.58000 1.000 78.71213  ? 344 TRP A CH2  1 
ATOM   316  H  H    . TRP A 1 25  ? -8.76200  -10.04800 -43.97600 1.000 84.35549  ? 344 TRP A H    1 
ATOM   317  H  HA   . TRP A 1 25  ? -8.54000  -8.02400  -45.70300 1.000 98.39934  ? 344 TRP A HA   1 
ATOM   318  H  HB2  . TRP A 1 25  ? -10.06800 -6.67700  -44.54500 1.000 83.75297  ? 344 TRP A HB2  1 
ATOM   319  H  HB3  . TRP A 1 25  ? -10.78100 -8.01300  -44.91900 1.000 83.75297  ? 344 TRP A HB3  1 
ATOM   320  H  HD1  . TRP A 1 25  ? -10.98700 -9.79100  -42.75900 1.000 152.40958 ? 344 TRP A HD1  1 
ATOM   321  H  HE1  . TRP A 1 25  ? -11.47100 -9.31400  -40.44400 1.000 98.48186  ? 344 TRP A HE1  1 
ATOM   322  H  HE3  . TRP A 1 25  ? -9.88500  -5.02900  -42.70200 1.000 94.24196  ? 344 TRP A HE3  1 
ATOM   323  H  HZ2  . TRP A 1 25  ? -11.35800 -7.11000  -38.76500 1.000 110.52664 ? 344 TRP A HZ2  1 
ATOM   324  H  HZ3  . TRP A 1 25  ? -10.08600 -3.84000  -40.73300 1.000 101.32207 ? 344 TRP A HZ3  1 
ATOM   325  H  HH2  . TRP A 1 25  ? -10.81600 -4.86400  -38.80100 1.000 94.66787  ? 344 TRP A HH2  1 
ATOM   326  N  N    . ILE A 1 26  ? -6.96400  -8.30100  -43.05900 1.000 67.22213  ? 345 ILE A N    1 
ATOM   327  C  CA   . ILE A 1 26  ? -5.81700  -7.77900  -42.32800 1.000 64.59669  ? 345 ILE A CA   1 
ATOM   328  C  C    . ILE A 1 26  ? -4.54300  -8.19100  -43.06000 1.000 68.59665  ? 345 ILE A C    1 
ATOM   329  O  O    . ILE A 1 26  ? -4.28500  -9.37700  -43.25500 1.000 74.23441  ? 345 ILE A O    1 
ATOM   330  C  CB   . ILE A 1 26  ? -5.81300  -8.21400  -40.82800 1.000 60.25197  ? 345 ILE A CB   1 
ATOM   331  C  CG1  . ILE A 1 26  ? -6.96300  -7.52900  -40.11200 1.000 62.66681  ? 345 ILE A CG1  1 
ATOM   332  C  CG2  . ILE A 1 26  ? -4.46700  -7.88300  -40.17100 1.000 60.01927  ? 345 ILE A CG2  1 
ATOM   333  C  CD1  . ILE A 1 26  ? -7.20400  -7.92400  -38.82800 1.000 64.45585  ? 345 ILE A CD1  1 
ATOM   334  H  H    . ILE A 1 26  ? -7.19200  -9.10000  -42.83600 1.000 80.87987  ? 345 ILE A H    1 
ATOM   335  H  HA   . ILE A 1 26  ? -5.87100  -6.81100  -42.30600 1.000 77.72934  ? 345 ILE A HA   1 
ATOM   336  H  HB   . ILE A 1 26  ? -5.93200  -9.17500  -40.76700 1.000 71.23580  ? 345 ILE A HB   1 
ATOM   337  H  HG12 . ILE A 1 26  ? -6.79300  -6.57400  -40.10900 1.000 75.41349  ? 345 ILE A HG12 1 
ATOM   338  H  HG13 . ILE A 1 26  ? -7.77100  -7.67100  -40.63000 1.000 75.41349  ? 345 ILE A HG13 1 
ATOM   339  H  HG21 . ILE A 1 26  ? -4.48400  -8.16000  -39.24200 1.000 70.95656  ? 345 ILE A HG21 1 
ATOM   340  H  HG22 . ILE A 1 26  ? -3.75600  -8.35200  -40.63500 1.000 70.95656  ? 345 ILE A HG22 1 
ATOM   341  H  HG23 . ILE A 1 26  ? -4.30900  -6.92700  -40.22000 1.000 70.95656  ? 345 ILE A HG23 1 
ATOM   342  H  HD11 . ILE A 1 26  ? -7.95500  -7.42400  -38.47100 1.000 77.56033  ? 345 ILE A HD11 1 
ATOM   343  H  HD12 . ILE A 1 26  ? -7.41100  -8.87200  -38.81400 1.000 77.56033  ? 345 ILE A HD12 1 
ATOM   344  H  HD13 . ILE A 1 26  ? -6.41800  -7.75700  -38.28500 1.000 77.56033  ? 345 ILE A HD13 1 
ATOM   345  N  N    . ILE A 1 27  ? -3.78300  -7.18600  -43.51000 1.000 76.38023  ? 346 ILE A N    1 
ATOM   346  C  CA   . ILE A 1 27  ? -2.50700  -7.41600  -44.16700 1.000 74.77046  ? 346 ILE A CA   1 
ATOM   347  C  C    . ILE A 1 27  ? -1.43700  -7.64200  -43.10100 1.000 73.21741  ? 346 ILE A C    1 
ATOM   348  O  O    . ILE A 1 27  ? -0.54500  -8.46300  -43.28100 1.000 75.98833  ? 346 ILE A O    1 
ATOM   349  C  CB   . ILE A 1 27  ? -2.05100  -6.27300  -45.11700 1.000 78.20260  ? 346 ILE A CB   1 
ATOM   350  C  CG1  . ILE A 1 27  ? -3.09700  -6.03500  -46.20800 1.000 80.44700  ? 346 ILE A CG1  1 
ATOM   351  C  CG2  . ILE A 1 27  ? -0.70800  -6.61200  -45.72200 1.000 82.86348  ? 346 ILE A CG2  1 
ATOM   352  C  CD1  . ILE A 1 27  ? -2.75000  -4.90400  -47.15000 1.000 96.23431  ? 346 ILE A CD1  1 
ATOM   353  H  H    . ILE A 1 27  ? -3.99800  -6.35600  -43.44000 1.000 91.86958  ? 346 ILE A H    1 
ATOM   354  H  HA   . ILE A 1 27  ? -2.62800  -8.19600  -44.73100 1.000 88.65799  ? 346 ILE A HA   1 
ATOM   355  H  HB   . ILE A 1 27  ? -1.96100  -5.45400  -44.60500 1.000 92.77656  ? 346 ILE A HB   1 
ATOM   356  H  HG12 . ILE A 1 27  ? -3.20700  -6.85000  -46.72200 1.000 95.46984  ? 346 ILE A HG12 1 
ATOM   357  H  HG13 . ILE A 1 27  ? -3.95100  -5.84600  -45.78900 1.000 95.46984  ? 346 ILE A HG13 1 
ATOM   358  H  HG21 . ILE A 1 27  ? -0.42900  -5.89500  -46.31300 1.000 98.36962  ? 346 ILE A HG21 1 
ATOM   359  H  HG22 . ILE A 1 27  ? -0.05300  -6.72100  -45.01500 1.000 98.36962  ? 346 ILE A HG22 1 
ATOM   360  H  HG23 . ILE A 1 27  ? -0.77900  -7.43800  -46.22600 1.000 98.36962  ? 346 ILE A HG23 1 
ATOM   361  H  HD11 . ILE A 1 27  ? -3.45100  -4.80800  -47.81300 1.000 115.69449 ? 346 ILE A HD11 1 
ATOM   362  H  HD12 . ILE A 1 27  ? -2.66500  -4.07900  -46.64800 1.000 115.69449 ? 346 ILE A HD12 1 
ATOM   363  H  HD13 . ILE A 1 27  ? -1.91000  -5.09900  -47.59400 1.000 115.69449 ? 346 ILE A HD13 1 
ATOM   364  N  N    . ALA A 1 28  ? -1.51700  -6.87700  -42.01200 1.000 69.23008  ? 347 ALA A N    1 
ATOM   365  C  CA   . ALA A 1 28  ? -0.52300  -6.95000  -40.96200 1.000 68.01484  ? 347 ALA A CA   1 
ATOM   366  C  C    . ALA A 1 28  ? -1.06100  -6.35300  -39.66500 1.000 69.33390  ? 347 ALA A C    1 
ATOM   367  O  O    . ALA A 1 28  ? -1.90600  -5.45200  -39.69000 1.000 61.29102  ? 347 ALA A O    1 
ATOM   368  C  CB   . ALA A 1 28  ? 0.74700   -6.23600  -41.38600 1.000 71.24675  ? 347 ALA A CB   1 
ATOM   369  H  H    . ALA A 1 28  ? -2.14600  -6.30800  -41.86900 1.000 82.00954  ? 347 ALA A H    1 
ATOM   370  H  HA   . ALA A 1 28  ? -0.31600  -7.88400  -40.80400 1.000 80.55124  ? 347 ALA A HA   1 
ATOM   371  H  HB1  . ALA A 1 28  ? 1.40300   -6.29300  -40.67400 1.000 84.42954  ? 347 ALA A HB1  1 
ATOM   372  H  HB2  . ALA A 1 28  ? 1.10200   -6.65400  -42.18600 1.000 84.42954  ? 347 ALA A HB2  1 
ATOM   373  H  HB3  . ALA A 1 28  ? 0.54900   -5.30400  -41.56900 1.000 84.42954  ? 347 ALA A HB3  1 
ATOM   374  N  N    . PRO A 1 29  ? -0.57800  -6.83000  -38.49300 1.000 61.45043  ? 348 PRO A N    1 
ATOM   375  C  CA   . PRO A 1 29  ? 0.41900   -7.90700  -38.43300 1.000 64.02880  ? 348 PRO A CA   1 
ATOM   376  C  C    . PRO A 1 29  ? -0.17900  -9.29300  -38.69400 1.000 64.71359  ? 348 PRO A C    1 
ATOM   377  O  O    . PRO A 1 29  ? -1.40000  -9.44000  -38.73800 1.000 62.69272  ? 348 PRO A O    1 
ATOM   378  C  CB   . PRO A 1 29  ? 0.90500   -7.80200  -36.98200 1.000 62.44349  ? 348 PRO A CB   1 
ATOM   379  C  CG   . PRO A 1 29  ? -0.42300  -7.41800  -36.20400 1.000 57.23125  ? 348 PRO A CG   1 
ATOM   380  C  CD   . PRO A 1 29  ? -1.00000  -6.35100  -37.16300 1.000 57.35993  ? 348 PRO A CD   1 
ATOM   381  H  HA   . PRO A 1 29  ? 1.11000   -7.81200  -39.10800 1.000 75.76800  ? 348 PRO A HA   1 
ATOM   382  H  HB2  . PRO A 1 29  ? 1.28000   -8.63800  -36.66500 1.000 75.14550  ? 348 PRO A HB2  1 
ATOM   383  H  HB3  . PRO A 1 29  ? 1.59300   -7.12600  -36.87900 1.000 75.14550  ? 348 PRO A HB3  1 
ATOM   384  H  HG2  . PRO A 1 29  ? -1.01800  -8.17500  -36.09100 1.000 67.61094  ? 348 PRO A HG2  1 
ATOM   385  H  HG3  . PRO A 1 29  ? -0.24500  -7.06300  -35.31900 1.000 67.61094  ? 348 PRO A HG3  1 
ATOM   386  H  HD2  . PRO A 1 29  ? -1.96600  -6.29100  -37.09300 1.000 67.76536  ? 348 PRO A HD2  1 
ATOM   387  H  HD3  . PRO A 1 29  ? -0.64700  -5.46800  -36.97100 1.000 67.76536  ? 348 PRO A HD3  1 
ATOM   388  N  N    . LYS A 1 30  ? 0.69000   -10.30200 -38.80000 1.000 67.74240  ? 349 LYS A N    1 
ATOM   389  C  CA   . LYS A 1 30  ? 0.28600   -11.69600 -38.91500 1.000 68.87891  ? 349 LYS A CA   1 
ATOM   390  C  C    . LYS A 1 30  ? -0.31900  -12.21100 -37.61700 1.000 65.49608  ? 349 LYS A C    1 
ATOM   391  O  O    . LYS A 1 30  ? -1.31100  -12.92100 -37.63900 1.000 64.68449  ? 349 LYS A O    1 
ATOM   392  C  CB   . LYS A 1 30  ? 1.48300   -12.61000 -39.33600 1.000 73.57754  ? 349 LYS A CB   1 
ATOM   393  C  CG   . LYS A 1 30  ? 2.72800   -12.54100 -38.41200 1.000 80.82847  ? 349 LYS A CG   1 
ATOM   394  C  CD   . LYS A 1 30  ? 3.82000   -13.61700 -38.71200 1.000 94.32023  ? 349 LYS A CD   1 
ATOM   395  C  CE   . LYS A 1 30  ? 5.10800   -13.39700 -37.92200 1.000 90.91582  ? 349 LYS A CE   1 
ATOM   396  N  NZ   . LYS A 1 30  ? 4.93500   -13.67300 -36.46300 1.000 88.10176  ? 349 LYS A NZ   1 
ATOM   397  H  H    . LYS A 1 30  ? 1.54200   -10.18900 -38.80700 1.000 80.22432  ? 349 LYS A H    1 
ATOM   398  H  HA   . LYS A 1 30  ? -0.39000  -11.73200 -39.60900 1.000 82.01411  ? 349 LYS A HA   1 
ATOM   399  H  HB2  . LYS A 1 30  ? 1.17300   -13.52900 -39.36800 1.000 87.22649  ? 349 LYS A HB2  1 
ATOM   400  H  HB3  . LYS A 1 30  ? 1.75300   -12.37000 -40.23600 1.000 87.22649  ? 349 LYS A HB3  1 
ATOM   401  H  HG2  . LYS A 1 30  ? 3.12700   -11.66100 -38.49200 1.000 97.20747  ? 349 LYS A HG2  1 
ATOM   402  H  HG3  . LYS A 1 30  ? 2.43900   -12.63900 -37.49100 1.000 97.20747  ? 349 LYS A HG3  1 
ATOM   403  H  HD2  . LYS A 1 30  ? 3.46600   -14.49600 -38.50500 1.000 113.39759 ? 349 LYS A HD2  1 
ATOM   404  H  HD3  . LYS A 1 30  ? 4.02300   -13.60900 -39.66000 1.000 113.39759 ? 349 LYS A HD3  1 
ATOM   405  H  HE2  . LYS A 1 30  ? 5.80400   -13.97100 -38.27700 1.000 109.31230 ? 349 LYS A HE2  1 
ATOM   406  H  HE3  . LYS A 1 30  ? 5.40600   -12.48200 -38.04200 1.000 109.31230 ? 349 LYS A HE3  1 
ATOM   407  H  HZ1  . LYS A 1 30  ? 5.60000   -13.29500 -36.00800 1.000 105.93542 ? 349 LYS A HZ1  1 
ATOM   408  H  HZ2  . LYS A 1 30  ? 4.15900   -13.33600 -36.18700 1.000 105.93542 ? 349 LYS A HZ2  1 
ATOM   409  H  HZ3  . LYS A 1 30  ? 4.94300   -14.55200 -36.32400 1.000 105.93542 ? 349 LYS A HZ3  1 
ATOM   410  N  N    . GLU A 1 31  ? 0.30200   -11.85900 -36.48300 1.000 63.96890  ? 350 GLU A N    1 
ATOM   411  C  CA   . GLU A 1 31  ? -0.04400  -12.40300 -35.17900 1.000 61.71798  ? 350 GLU A CA   1 
ATOM   412  C  C    . GLU A 1 31  ? -0.02500  -11.24400 -34.19100 1.000 61.47587  ? 350 GLU A C    1 
ATOM   413  O  O    . GLU A 1 31  ? 0.62100   -10.23400 -34.44300 1.000 58.99515  ? 350 GLU A O    1 
ATOM   414  C  CB   . GLU A 1 31  ? 0.95600   -13.45900 -34.71300 1.000 64.63828  ? 350 GLU A CB   1 
ATOM   415  C  CG   . GLU A 1 31  ? 1.02100   -14.71500 -35.54900 1.000 81.66877  ? 350 GLU A CG   1 
ATOM   416  C  CD   . GLU A 1 31  ? 1.79200   -15.87100 -34.93000 1.000 84.67615  ? 350 GLU A CD   1 
ATOM   417  O  OE1  . GLU A 1 31  ? 1.45600   -16.26600 -33.78800 1.000 90.95359  ? 350 GLU A OE1  1 
ATOM   418  O  OE2  . GLU A 1 31  ? 2.72000   -16.39100 -35.59200 1.000 78.53670  ? 350 GLU A OE2  1 
ATOM   419  H  H    . GLU A 1 31  ? 0.94500   -11.28800 -36.45800 1.000 75.69613  ? 350 GLU A H    1 
ATOM   420  H  HA   . GLU A 1 31  ? -0.91400  -12.82900 -35.23400 1.000 72.99501  ? 350 GLU A HA   1 
ATOM   421  H  HB2  . GLU A 1 31  ? 1.83900   -13.05800 -34.69300 1.000 76.49937  ? 350 GLU A HB2  1 
ATOM   422  H  HB3  . GLU A 1 31  ? 0.73700   -13.70800 -33.80200 1.000 76.49937  ? 350 GLU A HB3  1 
ATOM   423  H  HG2  . GLU A 1 31  ? 0.11600   -15.01100 -35.73200 1.000 98.21583  ? 350 GLU A HG2  1 
ATOM   424  H  HG3  . GLU A 1 31  ? 1.42600   -14.49600 -36.40300 1.000 98.21583  ? 350 GLU A HG3  1 
ATOM   425  N  N    . TYR A 1 32  ? -0.74900  -11.37400 -33.08100 1.000 55.76413  ? 351 TYR A N    1 
ATOM   426  C  CA   . TYR A 1 32  ? -0.64000  -10.39400 -32.01700 1.000 57.16484  ? 351 TYR A CA   1 
ATOM   427  C  C    . TYR A 1 32  ? -0.91400  -11.08600 -30.68800 1.000 52.40378  ? 351 TYR A C    1 
ATOM   428  O  O    . TYR A 1 32  ? -1.35900  -12.22500 -30.67300 1.000 53.19204  ? 351 TYR A O    1 
ATOM   429  C  CB   . TYR A 1 32  ? -1.55300  -9.17600  -32.25000 1.000 50.51435  ? 351 TYR A CB   1 
ATOM   430  C  CG   . TYR A 1 32  ? -2.98600  -9.31600  -31.77500 1.000 47.61125  ? 351 TYR A CG   1 
ATOM   431  C  CD1  . TYR A 1 32  ? -3.87800  -10.12900 -32.44300 1.000 47.90756  ? 351 TYR A CD1  1 
ATOM   432  C  CD2  . TYR A 1 32  ? -3.45400  -8.59800  -30.67400 1.000 46.77452  ? 351 TYR A CD2  1 
ATOM   433  C  CE1  . TYR A 1 32  ? -5.19900  -10.23400 -32.04400 1.000 48.93682  ? 351 TYR A CE1  1 
ATOM   434  C  CE2  . TYR A 1 32  ? -4.79000  -8.66900  -30.28700 1.000 42.56912  ? 351 TYR A CE2  1 
ATOM   435  C  CZ   . TYR A 1 32  ? -5.64800  -9.52900  -30.94400 1.000 42.91705  ? 351 TYR A CZ   1 
ATOM   436  O  OH   . TYR A 1 32  ? -6.98600  -9.67000  -30.58300 1.000 53.82154  ? 351 TYR A OH   1 
ATOM   437  H  H    . TYR A 1 32  ? -1.30100  -12.01600 -32.93000 1.000 65.85039  ? 351 TYR A H    1 
ATOM   438  H  HA   . TYR A 1 32  ? 0.26100   -10.03400 -32.00400 1.000 68.81112  ? 351 TYR A HA   1 
ATOM   439  H  HB2  . TYR A 1 32  ? -1.15800  -8.40900  -31.80700 1.000 59.55066  ? 351 TYR A HB2  1 
ATOM   440  H  HB3  . TYR A 1 32  ? -1.56400  -8.98000  -33.20000 1.000 59.55066  ? 351 TYR A HB3  1 
ATOM   441  H  HD1  . TYR A 1 32  ? -3.58500  -10.61800 -33.17800 1.000 56.42251  ? 351 TYR A HD1  1 
ATOM   442  H  HD2  . TYR A 1 32  ? -2.86500  -8.06400  -30.19100 1.000 56.34273  ? 351 TYR A HD2  1 
ATOM   443  H  HE1  . TYR A 1 32  ? -5.78500  -10.78000 -32.51700 1.000 58.93749  ? 351 TYR A HE1  1 
ATOM   444  H  HE2  . TYR A 1 32  ? -5.10300  -8.14000  -29.58900 1.000 50.01639  ? 351 TYR A HE2  1 
ATOM   445  H  HH   . TYR A 1 32  ? -7.03800  -10.10100 -29.86400 1.000 64.79916  ? 351 TYR A HH   1 
ATOM   446  N  N    . GLU A 1 33  ? -0.59300  -10.38400 -29.59800 1.000 51.20580  ? 352 GLU A N    1 
ATOM   447  C  CA   . GLU A 1 33  ? -0.82600  -10.83000 -28.23500 1.000 50.54528  ? 352 GLU A CA   1 
ATOM   448  C  C    . GLU A 1 33  ? -2.16600  -10.26600 -27.77600 1.000 47.08034  ? 352 GLU A C    1 
ATOM   449  O  O    . GLU A 1 33  ? -2.28600  -9.08400  -27.46700 1.000 49.44613  ? 352 GLU A O    1 
ATOM   450  C  CB   . GLU A 1 33  ? 0.30400   -10.35400 -27.31200 1.000 53.28188  ? 352 GLU A CB   1 
ATOM   451  C  CG   . GLU A 1 33  ? 0.18000   -10.89700 -25.89800 1.000 52.06422  ? 352 GLU A CG   1 
ATOM   452  C  CD   . GLU A 1 33  ? 0.41700   -12.38500 -25.81300 1.000 54.86129  ? 352 GLU A CD   1 
ATOM   453  O  OE1  . GLU A 1 33  ? 1.38500   -12.88300 -26.42100 1.000 71.50081  ? 352 GLU A OE1  1 
ATOM   454  O  OE2  . GLU A 1 33  ? -0.41500  -13.06100 -25.19400 1.000 65.64861  ? 352 GLU A OE2  1 
ATOM   455  H  H    . GLU A 1 33  ? -0.22100  -9.61000  -29.64000 1.000 60.38040  ? 352 GLU A H    1 
ATOM   456  H  HA   . GLU A 1 33  ? -0.84300  -11.79900 -28.20000 1.000 59.58777  ? 352 GLU A HA   1 
ATOM   457  H  HB2  . GLU A 1 33  ? 1.15700   -10.62700 -27.68500 1.000 64.15157  ? 352 GLU A HB2  1 
ATOM   458  H  HB3  . GLU A 1 33  ? 0.30500   -9.38400  -27.28200 1.000 64.15157  ? 352 GLU A HB3  1 
ATOM   459  H  HG2  . GLU A 1 33  ? 0.81600   -10.44000 -25.32500 1.000 61.41050  ? 352 GLU A HG2  1 
ATOM   460  H  HG3  . GLU A 1 33  ? -0.70500  -10.69600 -25.55600 1.000 61.41050  ? 352 GLU A HG3  1 
ATOM   461  N  N    . ALA A 1 34  ? -3.18300  -11.13200 -27.74700 1.000 46.48763  ? 353 ALA A N    1 
ATOM   462  C  CA   . ALA A 1 34  ? -4.51700  -10.72800 -27.37400 1.000 43.91590  ? 353 ALA A CA   1 
ATOM   463  C  C    . ALA A 1 34  ? -4.72300  -10.84300 -25.87000 1.000 43.17174  ? 353 ALA A C    1 
ATOM   464  O  O    . ALA A 1 34  ? -5.57900  -10.16100 -25.32000 1.000 45.91571  ? 353 ALA A O    1 
ATOM   465  C  CB   . ALA A 1 34  ? -5.52700  -11.61100 -28.08800 1.000 43.68899  ? 353 ALA A CB   1 
ATOM   466  H  H    . ALA A 1 34  ? -3.10800  -11.96600 -27.94400 1.000 54.71860  ? 353 ALA A H    1 
ATOM   467  H  HA   . ALA A 1 34  ? -4.64000  -9.80100  -27.63100 1.000 52.91239  ? 353 ALA A HA   1 
ATOM   468  H  HB1  . ALA A 1 34  ? -6.42500  -11.34200 -27.83900 1.000 51.36023  ? 353 ALA A HB1  1 
ATOM   469  H  HB2  . ALA A 1 34  ? -5.41600  -11.51900 -29.04700 1.000 51.36023  ? 353 ALA A HB2  1 
ATOM   470  H  HB3  . ALA A 1 34  ? -5.38500  -12.53600 -27.83400 1.000 51.36023  ? 353 ALA A HB3  1 
ATOM   471  N  N    . TYR A 1 35  ? -4.03700  -11.82700 -25.31700 1.000 45.69762  ? 354 TYR A N    1 
ATOM   472  C  CA   . TYR A 1 35  ? -4.22000  -12.18400 -23.90000 1.000 46.22146  ? 354 TYR A CA   1 
ATOM   473  C  C    . TYR A 1 35  ? -5.61500  -12.75700 -23.69000 1.000 45.11523  ? 354 TYR A C    1 
ATOM   474  O  O    . TYR A 1 35  ? -6.47500  -12.66500 -24.56100 1.000 43.53138  ? 354 TYR A O    1 
ATOM   475  C  CB   . TYR A 1 35  ? -3.96300  -11.02000 -22.94000 1.000 50.07832  ? 354 TYR A CB   1 
ATOM   476  C  CG   . TYR A 1 35  ? -2.57100  -10.45300 -22.93700 1.000 46.72568  ? 354 TYR A CG   1 
ATOM   477  C  CD1  . TYR A 1 35  ? -1.53200  -11.11300 -22.30900 1.000 49.95137  ? 354 TYR A CD1  1 
ATOM   478  C  CD2  . TYR A 1 35  ? -2.30400  -9.23700  -23.53700 1.000 48.36417  ? 354 TYR A CD2  1 
ATOM   479  C  CE1  . TYR A 1 35  ? -0.25400  -10.58700 -22.29500 1.000 51.69581  ? 354 TYR A CE1  1 
ATOM   480  C  CE2  . TYR A 1 35  ? -1.03300  -8.69400  -23.52900 1.000 47.03887  ? 354 TYR A CE2  1 
ATOM   481  C  CZ   . TYR A 1 35  ? -0.00400  -9.37300  -22.90500 1.000 50.19824  ? 354 TYR A CZ   1 
ATOM   482  O  OH   . TYR A 1 35  ? 1.25800   -8.84200  -22.90200 1.000 66.66878  ? 354 TYR A OH   1 
ATOM   483  H  H    . TYR A 1 35  ? -3.45800  -12.30700 -25.73500 1.000 53.77059  ? 354 TYR A H    1 
ATOM   484  H  HA   . TYR A 1 35  ? -3.55200  -12.85500 -23.68900 1.000 54.39919  ? 354 TYR A HA   1 
ATOM   485  H  HB2  . TYR A 1 35  ? -4.58200  -10.30500 -23.15600 1.000 60.30729  ? 354 TYR A HB2  1 
ATOM   486  H  HB3  . TYR A 1 35  ? -4.17300  -11.31500 -22.04000 1.000 60.30729  ? 354 TYR A HB3  1 
ATOM   487  H  HD1  . TYR A 1 35  ? -1.69600  -11.92600 -21.88800 1.000 58.87509  ? 354 TYR A HD1  1 
ATOM   488  H  HD2  . TYR A 1 35  ? -2.99400  -8.77400  -23.95500 1.000 58.25031  ? 354 TYR A HD2  1 
ATOM   489  H  HE1  . TYR A 1 35  ? 0.43600   -11.04900 -21.87600 1.000 60.96841  ? 354 TYR A HE1  1 
ATOM   490  H  HE2  . TYR A 1 35  ? -0.87100  -7.87600  -23.94100 1.000 55.38008  ? 354 TYR A HE2  1 
ATOM   491  H  HH   . TYR A 1 35  ? 1.23900   -8.07100  -23.23600 1.000 80.21585  ? 354 TYR A HH   1 
ATOM   492  N  N    . GLU A 1 36  ? -5.75800  -13.45600 -22.57700 1.000 46.63353  ? 355 GLU A N    1 
ATOM   493  C  CA   . GLU A 1 36  ? -7.04700  -14.08000 -22.21400 1.000 46.22723  ? 355 GLU A CA   1 
ATOM   494  C  C    . GLU A 1 36  ? -7.18200  -14.01100 -20.69800 1.000 52.98320  ? 355 GLU A C    1 
ATOM   495  O  O    . GLU A 1 36  ? -6.16100  -13.91900 -20.01400 1.000 49.18450  ? 355 GLU A O    1 
ATOM   496  C  CB   . GLU A 1 36  ? -7.10700  -15.53200 -22.67100 1.000 48.75152  ? 355 GLU A CB   1 
ATOM   497  C  CG   . GLU A 1 36  ? -5.97300  -16.38800 -22.16800 1.000 52.45066  ? 355 GLU A CG   1 
ATOM   498  C  CD   . GLU A 1 36  ? -6.26200  -17.86800 -22.31600 1.000 55.32567  ? 355 GLU A CD   1 
ATOM   499  O  OE1  . GLU A 1 36  ? -7.27800  -18.20100 -22.94600 1.000 69.30118  ? 355 GLU A OE1  1 
ATOM   500  O  OE2  . GLU A 1 36  ? -5.47600  -18.67600 -21.80100 1.000 62.23207  ? 355 GLU A OE2  1 
ATOM   501  H  H    . GLU A 1 36  ? -5.12600  -13.58800 -22.00900 1.000 54.89367  ? 355 GLU A H    1 
ATOM   502  H  HA   . GLU A 1 36  ? -7.77200  -13.60700 -22.65200 1.000 54.40611  ? 355 GLU A HA   1 
ATOM   503  H  HB2  . GLU A 1 36  ? -7.94600  -15.91900 -22.37500 1.000 57.43527  ? 355 GLU A HB2  1 
ATOM   504  H  HB3  . GLU A 1 36  ? -7.11000  -15.55500 -23.64100 1.000 57.43527  ? 355 GLU A HB3  1 
ATOM   505  H  HG2  . GLU A 1 36  ? -5.16400  -16.16800 -22.65500 1.000 61.87423  ? 355 GLU A HG2  1 
ATOM   506  H  HG3  . GLU A 1 36  ? -5.80600  -16.18500 -21.23400 1.000 61.87423  ? 355 GLU A HG3  1 
ATOM   507  N  N    . CYS A 1 37  ? -8.41000  -14.02900 -20.21900 1.000 46.02445  ? 356 CYS A N    1 
ATOM   508  C  CA   . CYS A 1 37  ? -8.65100  -14.01700 -18.76400 1.000 47.31109  ? 356 CYS A CA   1 
ATOM   509  C  C    . CYS A 1 37  ? -8.94800  -15.45000 -18.35200 1.000 50.41499  ? 356 CYS A C    1 
ATOM   510  O  O    . CYS A 1 37  ? -9.89600  -16.03600 -18.87100 1.000 54.60872  ? 356 CYS A O    1 
ATOM   511  C  CB   . CYS A 1 37  ? -9.77600  -13.06300 -18.41400 1.000 46.79582  ? 356 CYS A CB   1 
ATOM   512  S  SG   . CYS A 1 37  ? -9.30900  -11.35100 -18.72400 1.000 41.91997  ? 356 CYS A SG   1 
ATOM   513  H  H    . CYS A 1 37  ? -9.12100  -14.04800 -20.70300 1.000 54.16278  ? 356 CYS A H    1 
ATOM   514  H  HA   . CYS A 1 37  ? -7.87500  -13.69500 -18.27800 1.000 55.70675  ? 356 CYS A HA   1 
ATOM   515  H  HB2  . CYS A 1 37  ? -10.56400 -13.28400 -18.93500 1.000 56.36830  ? 356 CYS A HB2  1 
ATOM   516  H  HB3  . CYS A 1 37  ? -10.01400 -13.17100 -17.48000 1.000 56.36830  ? 356 CYS A HB3  1 
ATOM   517  N  N    . LYS A 1 38  ? -8.11900  -15.98200 -17.47800 1.000 53.78315  ? 357 LYS A N    1 
ATOM   518  C  CA   . LYS A 1 38  ? -8.25800  -17.38800 -17.06600 1.000 57.50870  ? 357 LYS A CA   1 
ATOM   519  C  C    . LYS A 1 38  ? -8.24300  -17.42500 -15.54600 1.000 60.24388  ? 357 LYS A C    1 
ATOM   520  O  O    . LYS A 1 38  ? -7.61200  -16.57000 -14.92400 1.000 60.18604  ? 357 LYS A O    1 
ATOM   521  C  CB   . LYS A 1 38  ? -7.06500  -18.15900 -17.62400 1.000 60.08707  ? 357 LYS A CB   1 
ATOM   522  C  CG   . LYS A 1 38  ? -7.24500  -19.64600 -17.86500 1.000 78.15603  ? 357 LYS A CG   1 
ATOM   523  C  CD   . LYS A 1 38  ? -6.08800  -20.27200 -18.60300 1.000 70.04397  ? 357 LYS A CD   1 
ATOM   524  C  CE   . LYS A 1 38  ? -6.31700  -21.72900 -18.93700 1.000 97.00460  ? 357 LYS A CE   1 
ATOM   525  N  NZ   . LYS A 1 38  ? -5.16100  -22.31000 -19.66100 1.000 96.16510  ? 357 LYS A NZ   1 
ATOM   526  H  H    . LYS A 1 38  ? -7.46900  -15.56000 -17.10600 1.000 63.47322  ? 357 LYS A H    1 
ATOM   527  H  HA   . LYS A 1 38  ? -9.08100  -17.78300 -17.39500 1.000 67.94388  ? 357 LYS A HA   1 
ATOM   528  H  HB2  . LYS A 1 38  ? -6.80900  -17.74800 -18.46500 1.000 71.03793  ? 357 LYS A HB2  1 
ATOM   529  H  HB3  . LYS A 1 38  ? -6.32100  -18.04200 -17.01300 1.000 71.03793  ? 357 LYS A HB3  1 
ATOM   530  H  HG2  . LYS A 1 38  ? -7.35800  -20.09500 -17.01200 1.000 94.00055  ? 357 LYS A HG2  1 
ATOM   531  H  HG3  . LYS A 1 38  ? -8.06000  -19.78900 -18.37100 1.000 94.00055  ? 357 LYS A HG3  1 
ATOM   532  H  HD2  . LYS A 1 38  ? -5.92900  -19.77900 -19.42300 1.000 84.26607  ? 357 LYS A HD2  1 
ATOM   533  H  HD3  . LYS A 1 38  ? -5.28600  -20.19100 -18.06400 1.000 84.26607  ? 357 LYS A HD3  1 
ATOM   534  H  HE2  . LYS A 1 38  ? -6.47300  -22.22900 -18.12000 1.000 116.61883 ? 357 LYS A HE2  1 
ATOM   535  H  HE3  . LYS A 1 38  ? -7.11600  -21.81600 -19.47900 1.000 116.61883 ? 357 LYS A HE3  1 
ATOM   536  H  HZ1  . LYS A 1 38  ? -5.11600  -23.18300 -19.49600 1.000 115.61143 ? 357 LYS A HZ1  1 
ATOM   537  H  HZ2  . LYS A 1 38  ? -5.26200  -22.17900 -20.53500 1.000 115.61143 ? 357 LYS A HZ2  1 
ATOM   538  H  HZ3  . LYS A 1 38  ? -4.41100  -21.91700 -19.38700 1.000 115.61143 ? 357 LYS A HZ3  1 
ATOM   539  N  N    . GLY A 1 39  ? -8.91300  -18.40900 -14.99000 1.000 55.68833  ? 358 GLY A N    1 
ATOM   540  C  CA   . GLY A 1 39  ? -8.87600  -18.53400 -13.53700 1.000 73.87242  ? 358 GLY A CA   1 
ATOM   541  C  C    . GLY A 1 39  ? -10.25500 -18.76400 -12.98900 1.000 68.29414  ? 358 GLY A C    1 
ATOM   542  O  O    . GLY A 1 39  ? -11.23300 -18.55000 -13.70700 1.000 72.66804  ? 358 GLY A O    1 
ATOM   543  H  H    . GLY A 1 39  ? -9.38000  -18.99800 -15.40800 1.000 67.03931  ? 358 GLY A H    1 
ATOM   544  H  HA2  . GLY A 1 39  ? -8.29600  -19.27000 -13.28600 1.000 88.86022  ? 358 GLY A HA2  1 
ATOM   545  H  HA3  . GLY A 1 39  ? -8.49800  -17.73000 -13.14800 1.000 88.86022  ? 358 GLY A HA3  1 
ATOM   546  N  N    . GLY A 1 40  ? -10.30700 -19.19300 -11.74400 1.000 88.48669  ? 359 GLY A N    1 
ATOM   547  C  CA   . GLY A 1 40  ? -11.60500 -19.52500 -11.16300 1.000 95.61985  ? 359 GLY A CA   1 
ATOM   548  C  C    . GLY A 1 40  ? -12.13800 -18.34200 -10.41400 1.000 53.67029  ? 359 GLY A C    1 
ATOM   549  O  O    . GLY A 1 40  ? -11.33700 -17.46000 -10.09200 1.000 76.19102  ? 359 GLY A O    1 
ATOM   550  H  H    . GLY A 1 40  ? -9.62900  -19.29900 -11.22600 1.000 106.39734 ? 359 GLY A H    1 
ATOM   551  H  HA2  . GLY A 1 40  ? -12.22600 -19.78300 -11.86200 1.000 114.95713 ? 359 GLY A HA2  1 
ATOM   552  H  HA3  . GLY A 1 40  ? -11.51800 -20.28500 -10.56600 1.000 114.95713 ? 359 GLY A HA3  1 
ATOM   553  N  N    . CYS A 1 41  ? -13.44700 -18.27500 -10.29700 1.000 49.04565  ? 360 CYS A N    1 
ATOM   554  C  CA   . CYS A 1 41  ? -14.05300 -17.23300 -9.45300  1.000 58.50408  ? 360 CYS A CA   1 
ATOM   555  C  C    . CYS A 1 41  ? -14.67200 -18.04300 -8.32200  1.000 65.82299  ? 360 CYS A C    1 
ATOM   556  O  O    . CYS A 1 41  ? -15.69700 -18.66900 -8.57000  1.000 74.71890  ? 360 CYS A O    1 
ATOM   557  C  CB   . CYS A 1 41  ? -15.06900 -16.41100 -10.23000 1.000 42.15356  ? 360 CYS A CB   1 
ATOM   558  S  SG   . CYS A 1 41  ? -14.34700 -15.40300 -11.54600 1.000 46.46851  ? 360 CYS A SG   1 
ATOM   559  H  H    . CYS A 1 41  ? -14.00300 -18.80500 -10.68300 1.000 59.06809  ? 360 CYS A H    1 
ATOM   560  H  HA   . CYS A 1 41  ? -13.42400 -16.56900 -9.12900  1.000 70.41820  ? 360 CYS A HA   1 
ATOM   561  H  HB2  . CYS A 1 41  ? -15.72700 -17.00900 -10.61700 1.000 49.51772  ? 360 CYS A HB2  1 
ATOM   562  H  HB3  . CYS A 1 41  ? -15.54200 -15.83100 -9.61300  1.000 49.51772  ? 360 CYS A HB3  1 
ATOM   563  N  N    . PHE A 1 42  ? -13.91200 -18.28400 -7.27300  1.000 48.10371  ? 361 PHE A N    1 
ATOM   564  C  CA   . PHE A 1 42  ? -14.42900 -18.95000 -6.08700  1.000 50.44973  ? 361 PHE A CA   1 
ATOM   565  C  C    . PHE A 1 42  ? -13.85700 -18.32300 -4.81700  1.000 53.36351  ? 361 PHE A C    1 
ATOM   566  O  O    . PHE A 1 42  ? -12.80200 -17.70500 -4.83100  1.000 52.43409  ? 361 PHE A O    1 
ATOM   567  C  CB   . PHE A 1 42  ? -14.12600 -20.49100 -6.16500  1.000 62.45181  ? 361 PHE A CB   1 
ATOM   568  C  CG   . PHE A 1 42  ? -12.68400 -20.85400 -6.31600  1.000 64.44089  ? 361 PHE A CG   1 
ATOM   569  C  CD1  . PHE A 1 42  ? -11.87500 -21.03600 -5.19800  1.000 75.76955  ? 361 PHE A CD1  1 
ATOM   570  C  CD2  . PHE A 1 42  ? -12.10900 -20.98500 -7.58400  1.000 63.90491  ? 361 PHE A CD2  1 
ATOM   571  C  CE1  . PHE A 1 42  ? -10.52500 -21.38600 -5.34300  1.000 87.17672  ? 361 PHE A CE1  1 
ATOM   572  C  CE2  . PHE A 1 42  ? -10.77100 -21.33500 -7.72800  1.000 68.28471  ? 361 PHE A CE2  1 
ATOM   573  C  CZ   . PHE A 1 42  ? -9.98200  -21.52500 -6.61300  1.000 78.64824  ? 361 PHE A CZ   1 
ATOM   574  H  H    . PHE A 1 42  ? -13.08100 -18.06800 -7.22400  1.000 56.65790  ? 361 PHE A H    1 
ATOM   575  H  HA   . PHE A 1 42  ? -15.39100 -18.83300 -6.05200  1.000 60.75299  ? 361 PHE A HA   1 
ATOM   576  H  HB2  . PHE A 1 42  ? -14.46800 -20.91300 -5.36100  1.000 75.15548  ? 361 PHE A HB2  1 
ATOM   577  H  HB3  . PHE A 1 42  ? -14.61800 -20.86400 -6.91300  1.000 75.15548  ? 361 PHE A HB3  1 
ATOM   578  H  HD1  . PHE A 1 42  ? -12.23300 -20.92400 -4.34700  1.000 91.13678  ? 361 PHE A HD1  1 
ATOM   579  H  HD2  . PHE A 1 42  ? -12.62800 -20.83600 -8.34100  1.000 76.89920  ? 361 PHE A HD2  1 
ATOM   580  H  HE1  . PHE A 1 42  ? -9.99500  -21.52400 -4.59100  1.000 104.82538 ? 361 PHE A HE1  1 
ATOM   581  H  HE2  . PHE A 1 42  ? -10.40800 -21.44100 -8.57700  1.000 82.15496  ? 361 PHE A HE2  1 
ATOM   582  H  HZ   . PHE A 1 42  ? -9.08400  -21.74700 -6.71200  1.000 94.59120  ? 361 PHE A HZ   1 
ATOM   583  N  N    . PHE A 1 43  ? -14.51000 -18.61100 -3.70100  1.000 53.00144  ? 362 PHE A N    1 
ATOM   584  C  CA   . PHE A 1 43  ? -14.04600 -18.11100 -2.41400  1.000 55.51037  ? 362 PHE A CA   1 
ATOM   585  C  C    . PHE A 1 43  ? -12.96200 -19.01800 -1.83600  1.000 58.42118  ? 362 PHE A C    1 
ATOM   586  O  O    . PHE A 1 43  ? -13.05900 -20.23900 -1.94100  1.000 60.36688  ? 362 PHE A O    1 
ATOM   587  C  CB   . PHE A 1 43  ? -15.21000 -17.99700 -1.44700  1.000 56.42753  ? 362 PHE A CB   1 
ATOM   588  C  CG   . PHE A 1 43  ? -16.25200 -17.06200 -1.92400  1.000 54.22150  ? 362 PHE A CG   1 
ATOM   589  C  CD1  . PHE A 1 43  ? -16.02500 -15.70500 -1.88900  1.000 54.08103  ? 362 PHE A CD1  1 
ATOM   590  C  CD2  . PHE A 1 43  ? -17.42800 -17.52800 -2.46800  1.000 60.62327  ? 362 PHE A CD2  1 
ATOM   591  C  CE1  . PHE A 1 43  ? -16.96200 -14.83300 -2.34900  1.000 52.36875  ? 362 PHE A CE1  1 
ATOM   592  C  CE2  . PHE A 1 43  ? -18.36800 -16.64900 -2.92800  1.000 57.39644  ? 362 PHE A CE2  1 
ATOM   593  C  CZ   . PHE A 1 43  ? -18.12400 -15.28900 -2.88800  1.000 50.67292  ? 362 PHE A CZ   1 
ATOM   594  H  H    . PHE A 1 43  ? -15.22200 -19.09300 -3.66500  1.000 62.53517  ? 362 PHE A H    1 
ATOM   595  H  HA   . PHE A 1 43  ? -13.66200 -17.23000 -2.54900  1.000 65.54588  ? 362 PHE A HA   1 
ATOM   596  H  HB2  . PHE A 1 43  ? -15.60300 -18.87400 -1.31300  1.000 66.64648  ? 362 PHE A HB2  1 
ATOM   597  H  HB3  . PHE A 1 43  ? -14.88200 -17.69900 -0.58400  1.000 66.64648  ? 362 PHE A HB3  1 
ATOM   598  H  HD1  . PHE A 1 43  ? -15.22300 -15.38100 -1.54700  1.000 63.83068  ? 362 PHE A HD1  1 
ATOM   599  H  HD2  . PHE A 1 43  ? -17.58300 -18.44300 -2.52300  1.000 72.96124  ? 362 PHE A HD2  1 
ATOM   600  H  HE1  . PHE A 1 43  ? -16.80700 -13.91800 -2.29400  1.000 61.77594  ? 362 PHE A HE1  1 
ATOM   601  H  HE2  . PHE A 1 43  ? -19.17300 -16.96600 -3.26800  1.000 69.08904  ? 362 PHE A HE2  1 
ATOM   602  H  HZ   . PHE A 1 43  ? -18.75000 -14.69000 -3.22700  1.000 59.74094  ? 362 PHE A HZ   1 
ATOM   603  N  N    . PRO A 1 44  ? -11.92800 -18.43000 -1.21300  1.000 60.69730  ? 363 PRO A N    1 
ATOM   604  C  CA   . PRO A 1 44  ? -11.81800 -16.98600 -1.04100  1.000 60.81402  ? 363 PRO A CA   1 
ATOM   605  C  C    . PRO A 1 44  ? -11.28300 -16.25900 -2.27900  1.000 58.96260  ? 363 PRO A C    1 
ATOM   606  O  O    . PRO A 1 44  ? -10.36800 -16.73400 -2.94500  1.000 59.30005  ? 363 PRO A O    1 
ATOM   607  C  CB   . PRO A 1 44  ? -10.84500 -16.89000 0.11900   1.000 65.31090  ? 363 PRO A CB   1 
ATOM   608  C  CG   . PRO A 1 44  ? -9.93400  -18.06900 -0.08400  1.000 66.25331  ? 363 PRO A CG   1 
ATOM   609  C  CD   . PRO A 1 44  ? -10.79800 -19.16600 -0.62800  1.000 63.98513  ? 363 PRO A CD   1 
ATOM   610  H  HA   . PRO A 1 44  ? -12.67700 -16.56100 -0.89000  1.000 71.91027  ? 363 PRO A HA   1 
ATOM   611  H  HB2  . PRO A 1 44  ? -10.35400 -16.05300 0.10500   1.000 78.58639  ? 363 PRO A HB2  1 
ATOM   612  H  HB3  . PRO A 1 44  ? -11.30300 -16.93600 0.97300   1.000 78.58639  ? 363 PRO A HB3  1 
ATOM   613  H  HG2  . PRO A 1 44  ? -9.21700  -17.85300 -0.70100  1.000 79.25111  ? 363 PRO A HG2  1 
ATOM   614  H  HG3  . PRO A 1 44  ? -9.51900  -18.33500 0.75100   1.000 79.25111  ? 363 PRO A HG3  1 
ATOM   615  H  HD2  . PRO A 1 44  ? -10.33100 -19.69600 -1.29300  1.000 75.71560  ? 363 PRO A HD2  1 
ATOM   616  H  HD3  . PRO A 1 44  ? -11.08700 -19.77600 0.06900   1.000 75.71560  ? 363 PRO A HD3  1 
ATOM   617  N  N    . LEU A 1 45  ? -11.81300 -15.06900 -2.55000  1.000 57.62613  ? 364 LEU A N    1 
ATOM   618  C  CA   . LEU A 1 45  ? -11.42100 -14.30400 -3.73000  1.000 74.54963  ? 364 LEU A CA   1 
ATOM   619  C  C    . LEU A 1 45  ? -10.08000 -13.57800 -3.57300  1.000 82.63560  ? 364 LEU A C    1 
ATOM   620  O  O    . LEU A 1 45  ? -9.62100  -13.32800 -2.46400  1.000 73.94964  ? 364 LEU A O    1 
ATOM   621  C  CB   . LEU A 1 45  ? -12.54800 -13.31600 -4.03600  1.000 56.37714  ? 364 LEU A CB   1 
ATOM   622  C  CG   . LEU A 1 45  ? -13.86200 -13.94400 -4.51400  1.000 61.62855  ? 364 LEU A CG   1 
ATOM   623  C  CD1  . LEU A 1 45  ? -14.90700 -12.95400 -4.55900  1.000 75.91487  ? 364 LEU A CD1  1 
ATOM   624  C  CD2  . LEU A 1 45  ? -13.78500 -14.56600 -5.92500  1.000 68.33714  ? 364 LEU A CD2  1 
ATOM   625  H  H    . LEU A 1 45  ? -12.40500 -14.68500 -2.05900  1.000 68.08480  ? 364 LEU A H    1 
ATOM   626  H  HA   . LEU A 1 45  ? -11.28600 -14.92100 -4.46600  1.000 89.67287  ? 364 LEU A HA   1 
ATOM   627  H  HB2  . LEU A 1 45  ? -12.72800 -12.79600 -3.23700  1.000 67.86588  ? 364 LEU A HB2  1 
ATOM   628  H  HB3  . LEU A 1 45  ? -12.23800 -12.69600 -4.71400  1.000 67.86588  ? 364 LEU A HB3  1 
ATOM   629  H  HG   . LEU A 1 45  ? -14.04600 -14.64800 -3.87200  1.000 74.16758  ? 364 LEU A HG   1 
ATOM   630  H  HD11 . LEU A 1 45  ? -15.73100 -13.36600 -4.86300  1.000 91.31116  ? 364 LEU A HD11 1 
ATOM   631  H  HD12 . LEU A 1 45  ? -15.04000 -12.58300 -3.67300  1.000 91.31116  ? 364 LEU A HD12 1 
ATOM   632  H  HD13 . LEU A 1 45  ? -14.65500 -12.24500 -5.17200  1.000 91.31116  ? 364 LEU A HD13 1 
ATOM   633  H  HD21 . LEU A 1 45  ? -14.64700 -14.94200 -6.16000  1.000 82.21788  ? 364 LEU A HD21 1 
ATOM   634  H  HD22 . LEU A 1 45  ? -13.54500 -13.88100 -6.56800  1.000 82.21788  ? 364 LEU A HD22 1 
ATOM   635  H  HD23 . LEU A 1 45  ? -13.11400 -15.26600 -5.93400  1.000 82.21788  ? 364 LEU A HD23 1 
ATOM   636  N  N    . ALA A 1 46  ? -9.41500  -13.27500 -4.69500  1.000 122.84383 ? 365 ALA A N    1 
ATOM   637  C  CA   . ALA A 1 46  ? -8.24700  -12.41600 -4.67400  1.000 94.97358  ? 365 ALA A CA   1 
ATOM   638  C  C    . ALA A 1 46  ? -8.67600  -10.95000 -4.65100  1.000 119.66466 ? 365 ALA A C    1 
ATOM   639  O  O    . ALA A 1 46  ? -9.85000  -10.61100 -4.82000  1.000 111.18267 ? 365 ALA A O    1 
ATOM   640  C  CB   . ALA A 1 46  ? -7.35000  -12.69600 -5.87900  1.000 134.50621 ? 365 ALA A CB   1 
ATOM   641  H  H    . ALA A 1 46  ? -9.63200  -13.56200 -5.47600  1.000 147.62591 ? 365 ALA A H    1 
ATOM   642  H  HA   . ALA A 1 46  ? -7.73800  -12.60400 -3.87000  1.000 114.18161 ? 365 ALA A HA   1 
ATOM   643  H  HB1  . ALA A 1 46  ? -6.57500  -12.11300 -5.84800  1.000 161.62076 ? 365 ALA A HB1  1 
ATOM   644  H  HB2  . ALA A 1 46  ? -7.05900  -13.62100 -5.85800  1.000 161.62076 ? 365 ALA A HB2  1 
ATOM   645  H  HB3  . ALA A 1 46  ? -7.84500  -12.53200 -6.69700  1.000 161.62076 ? 365 ALA A HB3  1 
ATOM   646  N  N    . ASP A 1 47  ? -7.69400  -10.06800 -4.46900  1.000 128.63412 ? 366 ASP A N    1 
ATOM   647  C  CA   . ASP A 1 47  ? -7.99700  -8.66900  -4.34800  1.000 142.78036 ? 366 ASP A CA   1 
ATOM   648  C  C    . ASP A 1 47  ? -8.12100  -7.83500  -5.65700  1.000 127.33437 ? 366 ASP A C    1 
ATOM   649  O  O    . ASP A 1 47  ? -8.93800  -6.91100  -5.73700  1.000 122.43710 ? 366 ASP A O    1 
ATOM   650  C  CB   . ASP A 1 47  ? -6.94300  -8.00400  -3.45500  1.000 128.87044 ? 366 ASP A CB   1 
ATOM   651  C  CG   . ASP A 1 47  ? -7.07600  -8.40600  -1.99800  1.000 107.29985 ? 366 ASP A CG   1 
ATOM   652  O  OD1  . ASP A 1 47  ? -8.13300  -8.95700  -1.64000  1.000 130.25886 ? 366 ASP A OD1  1 
ATOM   653  O  OD2  . ASP A 1 47  ? -6.12700  -8.15200  -1.23400  1.000 157.72350 ? 366 ASP A OD2  1 
ATOM   654  H  H    . ASP A 1 47  ? -6.85900  -10.26800 -4.41500  1.000 154.57425 ? 366 ASP A H    1 
ATOM   655  H  HA   . ASP A 1 47  ? -8.89200  -8.66400  -3.97400  1.000 171.54974 ? 366 ASP A HA   1 
ATOM   656  H  HB2  . ASP A 1 47  ? -6.05800  -8.24100  -3.77300  1.000 154.85784 ? 366 ASP A HB2  1 
ATOM   657  H  HB3  . ASP A 1 47  ? -7.02200  -7.04000  -3.53000  1.000 154.85784 ? 366 ASP A HB3  1 
ATOM   658  N  N    . ASP A 1 48  ? -7.36300  -8.19700  -6.65200  1.000 84.67980  ? 367 ASP A N    1 
ATOM   659  C  CA   . ASP A 1 48  ? -7.49900  -7.60400  -7.98000  1.000 114.85110 ? 367 ASP A CA   1 
ATOM   660  C  C    . ASP A 1 48  ? -8.51400  -8.28500  -8.88200  1.000 81.55337  ? 367 ASP A C    1 
ATOM   661  O  O    . ASP A 1 48  ? -8.54900  -8.05300  -10.09800 1.000 101.50371 ? 367 ASP A O    1 
ATOM   662  C  CB   . ASP A 1 48  ? -6.11400  -7.55100  -8.69100  1.000 116.97583 ? 367 ASP A CB   1 
ATOM   663  C  CG   . ASP A 1 48  ? -5.34000  -8.84400  -8.50800  1.000 134.98888 ? 367 ASP A CG   1 
ATOM   664  O  OD1  . ASP A 1 48  ? -5.95800  -9.88100  -8.13600  1.000 90.26888  ? 367 ASP A OD1  1 
ATOM   665  O  OD2  . ASP A 1 48  ? -4.12500  -8.82600  -8.76900  1.000 139.44218 ? 367 ASP A OD2  1 
ATOM   666  H  H    . ASP A 1 48  ? -6.74800  -8.79500  -6.59300  1.000 101.82908 ? 367 ASP A H    1 
ATOM   667  H  HA   . ASP A 1 48  ? -7.84100  -6.71000  -7.82600  1.000 138.03464 ? 367 ASP A HA   1 
ATOM   668  H  HB2  . ASP A 1 48  ? -6.24200  -7.38100  -9.63700  1.000 140.58430 ? 367 ASP A HB2  1 
ATOM   669  H  HB3  . ASP A 1 48  ? -5.59600  -6.81100  -8.33700  1.000 140.58430 ? 367 ASP A HB3  1 
ATOM   670  N  N    . VAL A 1 49  ? -9.34600  -9.13500  -8.27800  1.000 98.04130  ? 368 VAL A N    1 
ATOM   671  C  CA   . VAL A 1 49  ? -10.45000 -9.76800  -8.99100  1.000 97.96662  ? 368 VAL A CA   1 
ATOM   672  C  C    . VAL A 1 49  ? -11.62100 -8.79800  -9.16700  1.000 80.05972  ? 368 VAL A C    1 
ATOM   673  O  O    . VAL A 1 49  ? -12.46700 -9.01500  -10.04500 1.000 55.23495  ? 368 VAL A O    1 
ATOM   674  C  CB   . VAL A 1 49  ? -10.77800 -11.08100 -8.24300  1.000 86.87963  ? 368 VAL A CB   1 
ATOM   675  C  CG1  . VAL A 1 49  ? -12.18300 -11.62000 -8.52300  1.000 116.87794 ? 368 VAL A CG1  1 
ATOM   676  C  CG2  . VAL A 1 49  ? -9.73800  -12.15100 -8.59600  1.000 82.62942  ? 368 VAL A CG2  1 
ATOM   677  H  H    . VAL A 1 49  ? -9.28500  -9.35800  -7.45000  1.000 117.86287 ? 368 VAL A H    1 
ATOM   678  H  HA   . VAL A 1 49  ? -10.21600 -10.00000 -9.90300  1.000 117.77326 ? 368 VAL A HA   1 
ATOM   679  H  HB   . VAL A 1 49  ? -10.74900 -10.86900 -7.29700  1.000 104.46887 ? 368 VAL A HB   1 
ATOM   680  H  HG11 . VAL A 1 49  ? -12.32000 -12.44100 -8.02400  1.000 140.46683 ? 368 VAL A HG11 1 
ATOM   681  H  HG12 . VAL A 1 49  ? -12.84200 -10.96300 -8.25100  1.000 140.46683 ? 368 VAL A HG12 1 
ATOM   682  H  HG13 . VAL A 1 49  ? -12.27800 -11.79900 -9.47200  1.000 140.46683 ? 368 VAL A HG13 1 
ATOM   683  H  HG21 . VAL A 1 49  ? -9.94700  -12.97300 -8.12500  1.000 99.36861  ? 368 VAL A HG21 1 
ATOM   684  H  HG22 . VAL A 1 49  ? -9.75300  -12.31400 -9.55200  1.000 99.36861  ? 368 VAL A HG22 1 
ATOM   685  H  HG23 . VAL A 1 49  ? -8.85600  -11.84400 -8.33400  1.000 99.36861  ? 368 VAL A HG23 1 
ATOM   686  N  N    . THR A 1 50  ? -11.64300 -7.70000  -8.40300  1.000 55.75992  ? 369 THR A N    1 
ATOM   687  C  CA   . THR A 1 50  ? -12.63900 -6.62900  -8.46300  1.000 52.34052  ? 369 THR A CA   1 
ATOM   688  C  C    . THR A 1 50  ? -14.06100 -7.14000  -8.73200  1.000 48.49923  ? 369 THR A C    1 
ATOM   689  O  O    . THR A 1 50  ? -14.69100 -6.72800  -9.70900  1.000 81.41274  ? 369 THR A O    1 
ATOM   690  C  CB   . THR A 1 50  ? -12.25000 -5.58300  -9.50100  1.000 105.86250 ? 369 THR A CB   1 
ATOM   691  O  OG1  . THR A 1 50  ? -12.45900 -6.14300  -10.80000 1.000 73.11904  ? 369 THR A OG1  1 
ATOM   692  C  CG2  . THR A 1 50  ? -10.80100 -5.14800  -9.34900  1.000 103.71020 ? 369 THR A CG2  1 
ATOM   693  H  H    . THR A 1 50  ? -11.04300 -7.55500  -7.80400  1.000 67.12522  ? 369 THR A H    1 
ATOM   694  H  HA   . THR A 1 50  ? -12.64900 -6.22100  -7.58300  1.000 61.74206  ? 369 THR A HA   1 
ATOM   695  H  HB   . THR A 1 50  ? -12.80000 -4.79400  -9.37400  1.000 127.24831 ? 369 THR A HB   1 
ATOM   696  H  HG1  . THR A 1 50  ? -13.27800 -6.29300  -10.91200 1.000 87.95616  ? 369 THR A HG1  1 
ATOM   697  H  HG21 . THR A 1 50  ? -10.59000 -4.48400  -10.02400 1.000 124.66556 ? 369 THR A HG21 1 
ATOM   698  H  HG22 . THR A 1 50  ? -10.66800 -4.76600  -8.46700  1.000 124.66556 ? 369 THR A HG22 1 
ATOM   699  H  HG23 . THR A 1 50  ? -10.21900 -5.91600  -9.45900  1.000 124.66556 ? 369 THR A HG23 1 
ATOM   700  N  N    . PRO A 1 51  ? -14.58600 -8.02000  -7.88900  1.000 53.24344  ? 370 PRO A N    1 
ATOM   701  C  CA   . PRO A 1 51  ? -15.90500 -8.59900  -8.18400  1.000 44.75549  ? 370 PRO A CA   1 
ATOM   702  C  C    . PRO A 1 51  ? -17.03700 -7.60700  -7.94300  1.000 44.96832  ? 370 PRO A C    1 
ATOM   703  O  O    . PRO A 1 51  ? -16.99400 -6.80300  -7.00900  1.000 47.94774  ? 370 PRO A O    1 
ATOM   704  C  CB   . PRO A 1 51  ? -15.98700 -9.78800  -7.22500  1.000 45.26312  ? 370 PRO A CB   1 
ATOM   705  C  CG   . PRO A 1 51  ? -15.07200 -9.40100  -6.11000  1.000 59.00685  ? 370 PRO A CG   1 
ATOM   706  C  CD   . PRO A 1 51  ? -13.97200 -8.59200  -6.67400  1.000 53.85503  ? 370 PRO A CD   1 
ATOM   707  H  HA   . PRO A 1 51  ? -16.00000 -8.85200  -9.11600  1.000 52.64003  ? 370 PRO A HA   1 
ATOM   708  H  HB2  . PRO A 1 51  ? -16.89300 -9.93100  -6.91000  1.000 53.24919  ? 370 PRO A HB2  1 
ATOM   709  H  HB3  . PRO A 1 51  ? -15.70200 -10.61100 -7.65200  1.000 53.24919  ? 370 PRO A HB3  1 
ATOM   710  H  HG2  . PRO A 1 51  ? -15.55400 -8.89400  -5.43800  1.000 71.02154  ? 370 PRO A HG2  1 
ATOM   711  H  HG3  . PRO A 1 51  ? -14.72000 -10.19100 -5.67200  1.000 71.02154  ? 370 PRO A HG3  1 
ATOM   712  H  HD2  . PRO A 1 51  ? -13.67900 -7.90200  -6.05800  1.000 64.83935  ? 370 PRO A HD2  1 
ATOM   713  H  HD3  . PRO A 1 51  ? -13.19500 -9.13400  -6.88300  1.000 64.83935  ? 370 PRO A HD3  1 
ATOM   714  N  N    . THR A 1 52  ? -18.05500 -7.67100  -8.80400  1.000 42.31014  ? 371 THR A N    1 
ATOM   715  C  CA   . THR A 1 52  ? -19.26600 -6.90000  -8.61600  1.000 43.87276  ? 371 THR A CA   1 
ATOM   716  C  C    . THR A 1 52  ? -20.00000 -7.57000  -7.47600  1.000 43.63355  ? 371 THR A C    1 
ATOM   717  O  O    . THR A 1 52  ? -19.76600 -8.73700  -7.18500  1.000 43.18186  ? 371 THR A O    1 
ATOM   718  C  CB   . THR A 1 52  ? -20.07100 -6.89300  -9.93500  1.000 39.73699  ? 371 THR A CB   1 
ATOM   719  O  OG1  . THR A 1 52  ? -20.28100 -8.26800  -10.32200 1.000 44.34675  ? 371 THR A OG1  1 
ATOM   720  C  CG2  . THR A 1 52  ? -19.36900 -6.14200  -11.00300 1.000 43.41458  ? 371 THR A CG2  1 
ATOM   721  H  H    . THR A 1 52  ? -18.05500 -8.16400  -9.50900  1.000 49.70561  ? 371 THR A H    1 
ATOM   722  H  HA   . THR A 1 52  ? -19.10300 -5.96900  -8.39600  1.000 52.86062  ? 371 THR A HA   1 
ATOM   723  H  HB   . THR A 1 52  ? -20.92000 -6.44300  -9.80000  1.000 46.61783  ? 371 THR A HB   1 
ATOM   724  H  HG1  . THR A 1 52  ? -20.54600 -8.29800  -11.11800 1.000 53.42941  ? 371 THR A HG1  1 
ATOM   725  H  HG21 . THR A 1 52  ? -19.90100 -6.15800  -11.81400 1.000 52.31081  ? 371 THR A HG21 1 
ATOM   726  H  HG22 . THR A 1 52  ? -19.23900 -5.22300  -10.72100 1.000 52.31081  ? 371 THR A HG22 1 
ATOM   727  H  HG23 . THR A 1 52  ? -18.50700 -6.55200  -11.17400 1.000 52.31081  ? 371 THR A HG23 1 
ATOM   728  N  N    . LYS A 1 53  ? -20.95600 -6.87700  -6.86900  1.000 40.04621  ? 372 LYS A N    1 
ATOM   729  C  CA   . LYS A 1 53  ? -21.76500 -7.57300  -5.89300  1.000 41.85152  ? 372 LYS A CA   1 
ATOM   730  C  C    . LYS A 1 53  ? -22.49000 -8.74300  -6.55800  1.000 36.51759  ? 372 LYS A C    1 
ATOM   731  O  O    . LYS A 1 53  ? -22.64000 -9.80000  -5.94500  1.000 38.98365  ? 372 LYS A O    1 
ATOM   732  C  CB   . LYS A 1 53  ? -22.71800 -6.62400  -5.17100  1.000 48.75730  ? 372 LYS A CB   1 
ATOM   733  C  CG   . LYS A 1 53  ? -22.01700 -5.46200  -4.42900  1.000 52.27067  ? 372 LYS A CG   1 
ATOM   734  C  CD   . LYS A 1 53  ? -22.95100 -4.80600  -3.42900  1.000 54.92369  ? 372 LYS A CD   1 
ATOM   735  C  CE   . LYS A 1 53  ? -22.55800 -3.40700  -2.98600  1.000 63.86230  ? 372 LYS A CE   1 
ATOM   736  N  NZ   . LYS A 1 53  ? -22.31200 -2.47100  -4.08300  1.000 57.73982  ? 372 LYS A NZ   1 
ATOM   737  H  H    . LYS A 1 53  ? -21.14300 -6.04800  -7.00000  1.000 48.26877  ? 372 LYS A H    1 
ATOM   738  H  HA   . LYS A 1 53  ? -21.18400 -7.93700  -5.20700  1.000 50.43514  ? 372 LYS A HA   1 
ATOM   739  H  HB2  . LYS A 1 53  ? -23.34000 -6.25300  -5.81700  1.000 58.72208  ? 372 LYS A HB2  1 
ATOM   740  H  HB3  . LYS A 1 53  ? -23.24200 -7.13200  -4.53200  1.000 58.72208  ? 372 LYS A HB3  1 
ATOM   741  H  HG2  . LYS A 1 53  ? -21.23100 -5.79600  -3.97000  1.000 62.93811  ? 372 LYS A HG2  1 
ATOM   742  H  HG3  . LYS A 1 53  ? -21.71200 -4.80200  -5.07100  1.000 62.93811  ? 372 LYS A HG3  1 
ATOM   743  H  HD2  . LYS A 1 53  ? -23.83900 -4.76800  -3.81700  1.000 66.12175  ? 372 LYS A HD2  1 
ATOM   744  H  HD3  . LYS A 1 53  ? -23.00800 -5.37300  -2.64400  1.000 66.12175  ? 372 LYS A HD3  1 
ATOM   745  H  HE2  . LYS A 1 53  ? -23.26100 -3.04900  -2.42200  1.000 76.84807  ? 372 LYS A HE2  1 
ATOM   746  H  HE3  . LYS A 1 53  ? -21.75800 -3.46500  -2.44000  1.000 76.84807  ? 372 LYS A HE3  1 
ATOM   747  H  HZ1  . LYS A 1 53  ? -22.23100 -1.64700  -3.75800  1.000 69.50109  ? 372 LYS A HZ1  1 
ATOM   748  H  HZ2  . LYS A 1 53  ? -21.56200 -2.69800  -4.50500  1.000 69.50109  ? 372 LYS A HZ2  1 
ATOM   749  H  HZ3  . LYS A 1 53  ? -22.99300 -2.49800  -4.65500  1.000 69.50109  ? 372 LYS A HZ3  1 
ATOM   750  N  N    . HIS A 1 54  ? -22.93600 -8.56800  -7.81500  1.000 32.07591  ? 373 HIS A N    1 
ATOM   751  C  CA   . HIS A 1 54  ? -23.69300 -9.61800  -8.47800  1.000 33.11438  ? 373 HIS A CA   1 
ATOM   752  C  C    . HIS A 1 54  ? -22.86500 -10.89700 -8.59900  1.000 31.97484  ? 373 HIS A C    1 
ATOM   753  O  O    . HIS A 1 54  ? -23.34100 -11.97900 -8.26600  1.000 32.71879  ? 373 HIS A O    1 
ATOM   754  C  CB   . HIS A 1 54  ? -24.27300 -9.14800  -9.85700  1.000 34.13445  ? 373 HIS A CB   1 
ATOM   755  C  CG   . HIS A 1 54  ? -25.22100 -10.16900 -10.39800 1.000 43.12043  ? 373 HIS A CG   1 
ATOM   756  N  ND1  . HIS A 1 54  ? -24.75500 -11.34900 -11.02000 1.000 45.53173  ? 373 HIS A ND1  1 
ATOM   757  C  CD2  . HIS A 1 54  ? -26.56600 -10.22000 -10.29700 1.000 33.07050  ? 373 HIS A CD2  1 
ATOM   758  C  CE1  . HIS A 1 54  ? -25.85300 -12.06900 -11.27300 1.000 37.54559  ? 373 HIS A CE1  1 
ATOM   759  N  NE2  . HIS A 1 54  ? -26.96100 -11.43100 -10.82100 1.000 42.97813  ? 373 HIS A NE2  1 
ATOM   760  H  H    . HIS A 1 54  ? -22.80900 -7.85900  -8.28500  1.000 37.46796  ? 373 HIS A H    1 
ATOM   761  H  HA   . HIS A 1 54  ? -24.46000 -9.82300  -7.92100  1.000 39.95057  ? 373 HIS A HA   1 
ATOM   762  H  HB2  . HIS A 1 54  ? -24.72900 -8.29900  -9.75000  1.000 41.17465  ? 373 HIS A HB2  1 
ATOM   763  H  HB3  . HIS A 1 54  ? -23.54900 -9.00400  -10.48700 1.000 41.17465  ? 373 HIS A HB3  1 
ATOM   764  H  HD1  . HIS A 1 54  ? -23.94000 -11.55900 -11.19800 1.000 54.85138  ? 373 HIS A HD1  1 
ATOM   765  H  HD2  . HIS A 1 54  ? -27.12000 -9.56300  -9.94200  1.000 39.89792  ? 373 HIS A HD2  1 
ATOM   766  H  HE1  . HIS A 1 54  ? -25.85600 -12.89500 -11.70100 1.000 45.26802  ? 373 HIS A HE1  1 
ATOM   767  N  N    . ALA A 1 55  ? -21.60600 -10.76900 -9.03000  1.000 32.23946  ? 374 ALA A N    1 
ATOM   768  C  CA   . ALA A 1 55  ? -20.70400 -11.91100 -9.11400  1.000 32.96499  ? 374 ALA A CA   1 
ATOM   769  C  C    . ALA A 1 55  ? -20.49700 -12.63700 -7.78900  1.000 33.54511  ? 374 ALA A C    1 
ATOM   770  O  O    . ALA A 1 55  ? -20.42200 -13.87200 -7.75300  1.000 46.34589  ? 374 ALA A O    1 
ATOM   771  C  CB   . ALA A 1 55  ? -19.36000 -11.47800 -9.65500  1.000 33.48864  ? 374 ALA A CB   1 
ATOM   772  H  H    . ALA A 1 55  ? -21.25800 -10.02300 -9.27900  1.000 37.62079  ? 374 ALA A H    1 
ATOM   773  H  HA   . ALA A 1 55  ? -21.13300 -12.53900 -9.71600  1.000 38.49143  ? 374 ALA A HA   1 
ATOM   774  H  HB1  . ALA A 1 55  ? -18.76900 -12.24600 -9.70600  1.000 39.11981  ? 374 ALA A HB1  1 
ATOM   775  H  HB2  . ALA A 1 55  ? -19.47400 -11.09900 -10.54000 1.000 39.11981  ? 374 ALA A HB2  1 
ATOM   776  H  HB3  . ALA A 1 55  ? -18.97300 -10.81200 -9.06600  1.000 39.11981  ? 374 ALA A HB3  1 
ATOM   777  N  N    . ILE A 1 56  ? -20.46800 -11.86900 -6.69200  1.000 40.54725  ? 375 ILE A N    1 
ATOM   778  C  CA   . ILE A 1 56  ? -20.35000 -12.46000 -5.36200  1.000 34.62409  ? 375 ILE A CA   1 
ATOM   779  C  C    . ILE A 1 56  ? -21.60100 -13.26300 -5.02700  1.000 34.65749  ? 375 ILE A C    1 
ATOM   780  O  O    . ILE A 1 56  ? -21.53800 -14.43000 -4.61800  1.000 36.91478  ? 375 ILE A O    1 
ATOM   781  C  CB   . ILE A 1 56  ? -19.99200 -11.32300 -4.32500  1.000 35.38590  ? 375 ILE A CB   1 
ATOM   782  C  CG1  . ILE A 1 56  ? -18.54700 -10.85100 -4.54900  1.000 36.87577  ? 375 ILE A CG1  1 
ATOM   783  C  CG2  . ILE A 1 56  ? -20.16800 -11.73700 -2.94200  1.000 37.90082  ? 375 ILE A CG2  1 
ATOM   784  C  CD1  . ILE A 1 56  ? -18.25200 -9.44800  -3.99900  1.000 41.86191  ? 375 ILE A CD1  1 
ATOM   785  H  H    . ILE A 1 56  ? -20.51500 -11.01000 -6.70100  1.000 48.87002  ? 375 ILE A H    1 
ATOM   786  H  HA   . ILE A 1 56  ? -19.62400 -13.10200 -5.32500  1.000 40.48235  ? 375 ILE A HA   1 
ATOM   787  H  HB   . ILE A 1 56  ? -20.61200 -10.59400 -4.48100  1.000 41.39652  ? 375 ILE A HB   1 
ATOM   788  H  HG12 . ILE A 1 56  ? -17.94200 -11.48500 -4.13300  1.000 44.46424  ? 375 ILE A HG12 1 
ATOM   789  H  HG13 . ILE A 1 56  ? -18.35800 -10.86100 -5.50000  1.000 44.46424  ? 375 ILE A HG13 1 
ATOM   790  H  HG21 . ILE A 1 56  ? -19.93500 -11.00300 -2.35200  1.000 45.69429  ? 375 ILE A HG21 1 
ATOM   791  H  HG22 . ILE A 1 56  ? -21.09300 -11.98800 -2.79500  1.000 45.69429  ? 375 ILE A HG22 1 
ATOM   792  H  HG23 . ILE A 1 56  ? -19.59400 -12.49600 -2.75600  1.000 45.69429  ? 375 ILE A HG23 1 
ATOM   793  H  HD11 . ILE A 1 56  ? -17.32600 -9.21900  -4.17600  1.000 50.44760  ? 375 ILE A HD11 1 
ATOM   794  H  HD12 . ILE A 1 56  ? -18.83300 -8.80200  -4.43100  1.000 50.44760  ? 375 ILE A HD12 1 
ATOM   795  H  HD13 . ILE A 1 56  ? -18.41100 -9.43500  -3.04200  1.000 50.44760  ? 375 ILE A HD13 1 
ATOM   796  N  N    . VAL A 1 57  ? -22.75700 -12.62700 -5.19900  1.000 34.67465  ? 376 VAL A N    1 
ATOM   797  C  CA   . VAL A 1 57  ? -24.03100 -13.27400 -4.89900  1.000 34.23189  ? 376 VAL A CA   1 
ATOM   798  C  C    . VAL A 1 57  ? -24.25200 -14.55200 -5.69400  1.000 34.64761  ? 376 VAL A C    1 
ATOM   799  O  O    . VAL A 1 57  ? -24.62400 -15.59400 -5.16400  1.000 42.52857  ? 376 VAL A O    1 
ATOM   800  C  CB   . VAL A 1 57  ? -25.16700 -12.32200 -5.17400  1.000 41.19648  ? 376 VAL A CB   1 
ATOM   801  C  CG1  . VAL A 1 57  ? -26.45300 -13.08500 -5.24400  1.000 41.55083  ? 376 VAL A CG1  1 
ATOM   802  C  CG2  . VAL A 1 57  ? -25.21000 -11.22300 -4.11900  1.000 44.93643  ? 376 VAL A CG2  1 
ATOM   803  H  H    . VAL A 1 57  ? -22.82500 -11.82000 -5.48900  1.000 41.82290  ? 376 VAL A H    1 
ATOM   804  H  HA   . VAL A 1 57  ? -24.00400 -13.51600 -3.96000  1.000 40.61555  ? 376 VAL A HA   1 
ATOM   805  H  HB   . VAL A 1 57  ? -25.02900 -11.88800 -6.03000  1.000 49.64909  ? 376 VAL A HB   1 
ATOM   806  H  HG11 . VAL A 1 57  ? -27.18400 -12.47200 -5.42100  1.000 50.07431  ? 376 VAL A HG11 1 
ATOM   807  H  HG12 . VAL A 1 57  ? -26.40200 -13.74100 -5.95700  1.000 50.07431  ? 376 VAL A HG12 1 
ATOM   808  H  HG13 . VAL A 1 57  ? -26.60800 -13.53700 -4.40000  1.000 50.07431  ? 376 VAL A HG13 1 
ATOM   809  H  HG21 . VAL A 1 57  ? -25.94500 -10.62000 -4.31000  1.000 54.13702  ? 376 VAL A HG21 1 
ATOM   810  H  HG22 . VAL A 1 57  ? -25.33700 -11.62000 -3.24300  1.000 54.13702  ? 376 VAL A HG22 1 
ATOM   811  H  HG23 . VAL A 1 57  ? -24.37500 -10.72900 -4.13200  1.000 54.13702  ? 376 VAL A HG23 1 
ATOM   812  N  N    . GLN A 1 58  ? -23.93600 -14.46900 -6.97700  1.000 34.13567  ? 377 GLN A N    1 
ATOM   813  C  CA   . GLN A 1 58  ? -24.09300 -15.60500 -7.85600  1.000 35.13927  ? 377 GLN A CA   1 
ATOM   814  C  C    . GLN A 1 58  ? -23.18300 -16.76200 -7.49800  1.000 36.56667  ? 377 GLN A C    1 
ATOM   815  O  O    . GLN A 1 58  ? -23.62800 -17.91500 -7.48700  1.000 42.48759  ? 377 GLN A O    1 
ATOM   816  C  CB   . GLN A 1 58  ? -23.82400 -15.15700 -9.29200  1.000 36.77893  ? 377 GLN A CB   1 
ATOM   817  C  CG   . GLN A 1 58  ? -24.41900 -16.21500 -10.22600 1.000 49.58668  ? 377 GLN A CG   1 
ATOM   818  C  CD   . GLN A 1 58  ? -24.32400 -15.80100 -11.63900 1.000 43.59224  ? 377 GLN A CD   1 
ATOM   819  O  OE1  . GLN A 1 58  ? -24.59200 -14.66000 -11.97500 1.000 42.10545  ? 377 GLN A OE1  1 
ATOM   820  N  NE2  . GLN A 1 58  ? -23.87200 -16.70000 -12.45400 1.000 55.22372  ? 377 GLN A NE2  1 
ATOM   821  H  H    . GLN A 1 58  ? -23.62900 -13.76100 -7.35600  1.000 40.49894  ? 377 GLN A H    1 
ATOM   822  H  HA   . GLN A 1 58  ? -25.00200 -15.92900 -7.75800  1.000 41.10057  ? 377 GLN A HA   1 
ATOM   823  H  HB2  . GLN A 1 58  ? -24.22600 -14.29000 -9.45900  1.000 44.34803  ? 377 GLN A HB2  1 
ATOM   824  H  HB3  . GLN A 1 58  ? -22.87100 -15.06300 -9.44700  1.000 44.34803  ? 377 GLN A HB3  1 
ATOM   825  H  HG2  . GLN A 1 58  ? -23.95300 -17.05700 -10.10200 1.000 59.71733  ? 377 GLN A HG2  1 
ATOM   826  H  HG3  . GLN A 1 58  ? -25.34800 -16.36800 -9.99400  1.000 59.71733  ? 377 GLN A HG3  1 
ATOM   827  H  HE21 . GLN A 1 58  ? -23.69800 -17.49200 -12.16700 1.000 66.48178  ? 377 GLN A HE21 1 
ATOM   828  H  HE22 . GLN A 1 58  ? -23.74600 -16.50500 -13.28200 1.000 66.48178  ? 377 GLN A HE22 1 
ATOM   829  N  N    . THR A 1 59  ? -21.90900 -16.45400 -7.22600  1.000 36.40953  ? 378 THR A N    1 
ATOM   830  C  CA   . THR A 1 59  ? -20.97300 -17.47800 -6.75200  1.000 38.06606  ? 378 THR A CA   1 
ATOM   831  C  C    . THR A 1 59  ? -21.46000 -18.16200 -5.49000  1.000 40.65885  ? 378 THR A C    1 
ATOM   832  O  O    . THR A 1 59  ? -21.37800 -19.37600 -5.38500  1.000 41.15199  ? 378 THR A O    1 
ATOM   833  C  CB   . THR A 1 59  ? -19.58100 -16.86200 -6.53100  1.000 37.92949  ? 378 THR A CB   1 
ATOM   834  O  OG1  . THR A 1 59  ? -19.22800 -16.19600 -7.76600  1.000 42.44467  ? 378 THR A OG1  1 
ATOM   835  C  CG2  . THR A 1 59  ? -18.53400 -17.92000 -6.12900  1.000 40.13996  ? 378 THR A CG2  1 
ATOM   836  H  H    . THR A 1 59  ? -21.57100 -15.66700 -7.30900  1.000 42.62488  ? 378 THR A H    1 
ATOM   837  H  HA   . THR A 1 59  ? -20.91500 -18.16000 -7.43900  1.000 44.61271  ? 378 THR A HA   1 
ATOM   838  H  HB   . THR A 1 59  ? -19.59900 -16.23400 -5.79200  1.000 44.44883  ? 378 THR A HB   1 
ATOM   839  H  HG1  . THR A 1 59  ? -19.45800 -15.38900 -7.72500  1.000 51.14692  ? 378 THR A HG1  1 
ATOM   840  H  HG21 . THR A 1 59  ? -17.67400 -17.49100 -6.00000  1.000 48.38126  ? 378 THR A HG21 1 
ATOM   841  H  HG22 . THR A 1 59  ? -18.80800 -18.34900 -5.30300  1.000 48.38126  ? 378 THR A HG22 1 
ATOM   842  H  HG23 . THR A 1 59  ? -18.46100 -18.58600 -6.83000  1.000 48.38126  ? 378 THR A HG23 1 
ATOM   843  N  N    . LEU A 1 60  ? -22.06700 -17.38400 -4.57800  1.000 38.92591  ? 379 LEU A N    1 
ATOM   844  C  CA   . LEU A 1 60  ? -22.63100 -17.95300 -3.36600  1.000 41.29725  ? 379 LEU A CA   1 
ATOM   845  C  C    . LEU A 1 60  ? -23.86300 -18.80800 -3.64000  1.000 41.00922  ? 379 LEU A C    1 
ATOM   846  O  O    . LEU A 1 60  ? -24.03600 -19.86100 -3.02600  1.000 42.84829  ? 379 LEU A O    1 
ATOM   847  C  CB   . LEU A 1 60  ? -23.00700 -16.83000 -2.35200  1.000 46.97066  ? 379 LEU A CB   1 
ATOM   848  C  CG   . LEU A 1 60  ? -21.78500 -16.18600 -1.63700  1.000 50.98206  ? 379 LEU A CG   1 
ATOM   849  C  CD1  . LEU A 1 60  ? -22.17100 -14.83600 -0.94500  1.000 50.47117  ? 379 LEU A CD1  1 
ATOM   850  C  CD2  . LEU A 1 60  ? -21.18800 -17.18000 -0.63100  1.000 47.03869  ? 379 LEU A CD2  1 
ATOM   851  H  H    . LEU A 1 60  ? -22.15700 -16.53200 -4.65100  1.000 46.92441  ? 379 LEU A H    1 
ATOM   852  H  HA   . LEU A 1 60  ? -21.94500 -18.52500 -2.98900  1.000 49.77001  ? 379 LEU A HA   1 
ATOM   853  H  HB2  . LEU A 1 60  ? -23.49900 -16.13700 -2.81900  1.000 56.57811  ? 379 LEU A HB2  1 
ATOM   854  H  HB3  . LEU A 1 60  ? -23.60400 -17.19900 -1.68200  1.000 56.57811  ? 379 LEU A HB3  1 
ATOM   855  H  HG   . LEU A 1 60  ? -21.11200 -15.97800 -2.30400  1.000 61.39178  ? 379 LEU A HG   1 
ATOM   856  H  HD11 . LEU A 1 60  ? -21.39000 -14.46100 -0.50900  1.000 60.77872  ? 379 LEU A HD11 1 
ATOM   857  H  HD12 . LEU A 1 60  ? -22.50000 -14.21300 -1.61200  1.000 60.77872  ? 379 LEU A HD12 1 
ATOM   858  H  HD13 . LEU A 1 60  ? -22.86300 -14.99700 -0.28500  1.000 60.77872  ? 379 LEU A HD13 1 
ATOM   859  H  HD21 . LEU A 1 60  ? -20.42700 -16.77400 -0.18800  1.000 56.65974  ? 379 LEU A HD21 1 
ATOM   860  H  HD22 . LEU A 1 60  ? -21.85900 -17.41500 0.02900   1.000 56.65974  ? 379 LEU A HD22 1 
ATOM   861  H  HD23 . LEU A 1 60  ? -20.90100 -17.98000 -1.09800  1.000 56.65974  ? 379 LEU A HD23 1 
ATOM   862  N  N    . VAL A 1 61  ? -24.74400 -18.34100 -4.54400  1.000 41.23596  ? 380 VAL A N    1 
ATOM   863  C  CA   . VAL A 1 61  ? -25.87600 -19.17800 -4.92700  1.000 43.98855  ? 380 VAL A CA   1 
ATOM   864  C  C    . VAL A 1 61  ? -25.43000 -20.47600 -5.61700  1.000 42.92316  ? 380 VAL A C    1 
ATOM   865  O  O    . VAL A 1 61  ? -25.97400 -21.53800 -5.34400  1.000 45.26001  ? 380 VAL A O    1 
ATOM   866  C  CB   . VAL A 1 61  ? -26.85400 -18.39100 -5.79400  1.000 44.93849  ? 380 VAL A CB   1 
ATOM   867  C  CG1  . VAL A 1 61  ? -27.99700 -19.28700 -6.23000  1.000 55.03317  ? 380 VAL A CG1  1 
ATOM   868  C  CG2  . VAL A 1 61  ? -27.36800 -17.15100 -5.06800  1.000 40.64296  ? 380 VAL A CG2  1 
ATOM   869  H  H    . VAL A 1 61  ? -24.70200 -17.57300 -4.92900  1.000 49.69647  ? 380 VAL A H    1 
ATOM   870  H  HA   . VAL A 1 61  ? -26.33400 -19.44200 -4.11400  1.000 52.99957  ? 380 VAL A HA   1 
ATOM   871  H  HB   . VAL A 1 61  ? -26.38400 -18.08300 -6.58500  1.000 54.13949  ? 380 VAL A HB   1 
ATOM   872  H  HG11 . VAL A 1 61  ? -28.61400 -18.78000 -6.78000  1.000 66.25311  ? 380 VAL A HG11 1 
ATOM   873  H  HG12 . VAL A 1 61  ? -27.64700 -20.03300 -6.74100  1.000 66.25311  ? 380 VAL A HG12 1 
ATOM   874  H  HG13 . VAL A 1 61  ? -28.46200 -19.62200 -5.44800  1.000 66.25311  ? 380 VAL A HG13 1 
ATOM   875  H  HG21 . VAL A 1 61  ? -27.98600 -16.67200 -5.64200  1.000 48.98486  ? 380 VAL A HG21 1 
ATOM   876  H  HG22 . VAL A 1 61  ? -27.82400 -17.41800 -4.25500  1.000 48.98486  ? 380 VAL A HG22 1 
ATOM   877  H  HG23 . VAL A 1 61  ? -26.62100 -16.57400 -4.84500  1.000 48.98486  ? 380 VAL A HG23 1 
ATOM   878  N  N    . HIS A 1 62  ? -24.39800 -20.39700 -6.46100  1.000 42.49279  ? 381 HIS A N    1 
ATOM   879  C  CA   . HIS A 1 62  ? -23.85500 -21.59400 -7.09400  1.000 44.90990  ? 381 HIS A CA   1 
ATOM   880  C  C    . HIS A 1 62  ? -23.31400 -22.57800 -6.06500  1.000 47.05783  ? 381 HIS A C    1 
ATOM   881  O  O    . HIS A 1 62  ? -23.49700 -23.79200 -6.20300  1.000 50.17957  ? 381 HIS A O    1 
ATOM   882  C  CB   . HIS A 1 62  ? -22.75200 -21.21700 -8.07900  1.000 44.26414  ? 381 HIS A CB   1 
ATOM   883  C  CG   . HIS A 1 62  ? -21.96100 -22.39000 -8.56300  1.000 54.56537  ? 381 HIS A CG   1 
ATOM   884  N  ND1  . HIS A 1 62  ? -22.50400 -23.30200 -9.46100  1.000 49.75080  ? 381 HIS A ND1  1 
ATOM   885  C  CD2  . HIS A 1 62  ? -20.70800 -22.78200 -8.26000  1.000 55.24237  ? 381 HIS A CD2  1 
ATOM   886  C  CE1  . HIS A 1 62  ? -21.56100 -24.19800 -9.68700  1.000 53.17004  ? 381 HIS A CE1  1 
ATOM   887  N  NE2  . HIS A 1 62  ? -20.46900 -23.93200 -8.96700  1.000 56.68516  ? 381 HIS A NE2  1 
ATOM   888  H  H    . HIS A 1 62  ? -24.00300 -19.66400 -6.67700  1.000 49.92479  ? 381 HIS A H    1 
ATOM   889  H  HA   . HIS A 1 62  ? -24.58000 -22.02700 -7.57100  1.000 52.82532  ? 381 HIS A HA   1 
ATOM   890  H  HB2  . HIS A 1 62  ? -23.14800 -20.76600 -8.84100  1.000 52.05041  ? 381 HIS A HB2  1 
ATOM   891  H  HB3  . HIS A 1 62  ? -22.15200 -20.58400 -7.65500  1.000 52.05041  ? 381 HIS A HB3  1 
ATOM   892  H  HD1  . HIS A 1 62  ? -23.29400 -23.28600 -9.80000  1.000 58.63440  ? 381 HIS A HD1  1 
ATOM   893  H  HD2  . HIS A 1 62  ? -20.11800 -22.35400 -7.68200  1.000 66.50416  ? 381 HIS A HD2  1 
ATOM   894  H  HE1  . HIS A 1 62  ? -21.64600 -24.91800 -10.27000 1.000 64.01736  ? 381 HIS A HE1  1 
ATOM   895  N  N    A LEU A 1 63  ? -22.63300 -22.07300 -5.03300  0.520 46.13529  ? 382 LEU A N    1 
ATOM   896  N  N    B LEU A 1 63  ? -22.63600 -22.07500 -5.03000  0.480 46.14011  ? 382 LEU A N    1 
ATOM   897  C  CA   A LEU A 1 63  ? -22.10500 -22.95200 -3.99300  0.520 51.11815  ? 382 LEU A CA   1 
ATOM   898  C  CA   B LEU A 1 63  ? -22.09600 -22.96500 -4.00800  0.480 50.00826  ? 382 LEU A CA   1 
ATOM   899  C  C    A LEU A 1 63  ? -23.21300 -23.72400 -3.29700  0.520 50.51499  ? 382 LEU A C    1 
ATOM   900  C  C    B LEU A 1 63  ? -23.20600 -23.72000 -3.28500  0.480 50.51182  ? 382 LEU A C    1 
ATOM   901  O  O    A LEU A 1 63  ? -22.99800 -24.85600 -2.84900  0.520 53.55708  ? 382 LEU A O    1 
ATOM   902  O  O    B LEU A 1 63  ? -22.98900 -24.84400 -2.81700  0.480 53.54433  ? 382 LEU A O    1 
ATOM   903  C  CB   A LEU A 1 63  ? -21.31700 -22.14000 -2.97100  0.520 47.97967  ? 382 LEU A CB   1 
ATOM   904  C  CB   B LEU A 1 63  ? -21.23500 -22.16700 -3.01900  0.480 49.29411  ? 382 LEU A CB   1 
ATOM   905  C  CG   A LEU A 1 63  ? -20.03100 -21.52700 -3.50800  0.520 57.17520  ? 382 LEU A CG   1 
ATOM   906  C  CG   B LEU A 1 63  ? -20.47100 -22.92100 -1.92100  0.480 50.34910  ? 382 LEU A CG   1 
ATOM   907  C  CD1  A LEU A 1 63  ? -19.38000 -20.63900 -2.46000  0.520 54.33618  ? 382 LEU A CD1  1 
ATOM   908  C  CD1  B LEU A 1 63  ? -19.15800 -22.24200 -1.56100  0.480 76.68043  ? 382 LEU A CD1  1 
ATOM   909  C  CD2  A LEU A 1 63  ? -19.07900 -22.62600 -3.93500  0.520 48.86512  ? 382 LEU A CD2  1 
ATOM   910  C  CD2  B LEU A 1 63  ? -21.34200 -23.07400 -0.69100  0.480 52.94941  ? 382 LEU A CD2  1 
ATOM   911  H  H    A LEU A 1 63  ? -22.46900 -21.23700 -4.91900  0.520 54.89263  ? 382 LEU A H    1 
ATOM   912  H  H    B LEU A 1 63  ? -22.48200 -21.23800 -4.90500  0.480 54.90254  ? 382 LEU A H    1 
ATOM   913  H  HA   A LEU A 1 63  ? -21.51600 -23.59400 -4.42000  0.520 61.55509  ? 382 LEU A HA   1 
ATOM   914  H  HA   B LEU A 1 63  ? -21.53600 -23.62700 -4.44400  0.480 60.22322  ? 382 LEU A HA   1 
ATOM   915  H  HB2  A LEU A 1 63  ? -21.88400 -21.42900 -2.63300  0.520 57.78892  ? 382 LEU A HB2  1 
ATOM   916  H  HB2  B LEU A 1 63  ? -20.58600 -21.66400 -3.53500  0.480 59.36625  ? 382 LEU A HB2  1 
ATOM   917  H  HB3  A LEU A 1 63  ? -21.10000 -22.71200 -2.21800  0.520 57.78892  ? 382 LEU A HB3  1 
ATOM   918  H  HB3  B LEU A 1 63  ? -21.81200 -21.52100 -2.58300  0.480 59.36625  ? 382 LEU A HB3  1 
ATOM   919  H  HG   A LEU A 1 63  ? -20.24500 -20.97700 -4.27800  0.520 68.82356  ? 382 LEU A HG   1 
ATOM   920  H  HG   B LEU A 1 63  ? -20.25100 -23.79900 -2.27100  0.480 60.63223  ? 382 LEU A HG   1 
ATOM   921  H  HD11 A LEU A 1 63  ? -18.56400 -20.25800 -2.82000  0.520 65.41672  ? 382 LEU A HD11 1 
ATOM   922  H  HD11 B LEU A 1 63  ? -18.71000 -22.75000 -0.86600  0.480 92.22983  ? 382 LEU A HD11 1 
ATOM   923  H  HD12 A LEU A 1 63  ? -19.99000 -19.92500 -2.21700  0.520 65.41672  ? 382 LEU A HD12 1 
ATOM   924  H  HD12 B LEU A 1 63  ? -18.59000 -22.19900 -2.34600  0.480 92.22983  ? 382 LEU A HD12 1 
ATOM   925  H  HD13 A LEU A 1 63  ? -19.17100 -21.16700 -1.67300  0.520 65.41672  ? 382 LEU A HD13 1 
ATOM   926  H  HD13 B LEU A 1 63  ? -19.33500 -21.34400 -1.24100  0.480 92.22983  ? 382 LEU A HD13 1 
ATOM   927  H  HD21 A LEU A 1 63  ? -18.26100 -22.23100 -4.27600  0.520 57.57158  ? 382 LEU A HD21 1 
ATOM   928  H  HD21 B LEU A 1 63  ? -20.85100 -23.55100 -0.00400  0.480 63.75260  ? 382 LEU A HD21 1 
ATOM   929  H  HD22 A LEU A 1 63  ? -18.87200 -23.18900 -3.17300  0.520 57.57158  ? 382 LEU A HD22 1 
ATOM   930  H  HD22 B LEU A 1 63  ? -21.59100 -22.19700 -0.36000  0.480 63.75260  ? 382 LEU A HD22 1 
ATOM   931  H  HD23 A LEU A 1 63  ? -19.49300 -23.16200 -4.62900  0.520 57.57158  ? 382 LEU A HD23 1 
ATOM   932  H  HD23 B LEU A 1 63  ? -22.14200 -23.57200 -0.92100  0.480 63.75260  ? 382 LEU A HD23 1 
ATOM   933  N  N    . LYS A 1 64  ? -24.39900 -23.13200 -3.19700  1.000 49.23169  ? 383 LYS A N    1 
ATOM   934  C  CA   . LYS A 1 64  ? -25.52500 -23.76700 -2.53200  1.000 51.29224  ? 383 LYS A CA   1 
ATOM   935  C  C    . LYS A 1 64  ? -26.45000 -24.50400 -3.49200  1.000 52.92266  ? 383 LYS A C    1 
ATOM   936  O  O    . LYS A 1 64  ? -27.11600 -25.46000 -3.08100  1.000 55.91564  ? 383 LYS A O    1 
ATOM   937  C  CB   . LYS A 1 64  ? -26.31900 -22.72000 -1.74500  1.000 66.44950  ? 383 LYS A CB   1 
ATOM   938  C  CG   . LYS A 1 64  ? -27.32000 -23.32200 -0.80100  1.000 80.41510  ? 383 LYS A CG   1 
ATOM   939  C  CD   . LYS A 1 64  ? -27.32000 -22.68000 0.54300   1.000 61.60021  ? 383 LYS A CD   1 
ATOM   940  C  CE   . LYS A 1 64  ? -28.04400 -23.58700 1.50500   1.000 60.24810  ? 383 LYS A CE   1 
ATOM   941  N  NZ   . LYS A 1 64  ? -28.36500 -22.89100 2.76200   1.000 108.70289 ? 383 LYS A NZ   1 
ATOM   942  H  H    A LYS A 1 64  ? -24.57100 -22.35100 -3.51300  0.520 58.86257  ? 383 LYS A H    1 
ATOM   943  H  H    B LYS A 1 64  ? -24.57400 -22.35500 -3.52200  0.480 58.86257  ? 383 LYS A H    1 
ATOM   944  H  HA   . LYS A 1 64  ? -25.15700 -24.43400 -1.93100  1.000 60.48413  ? 383 LYS A HA   1 
ATOM   945  H  HB2  . LYS A 1 64  ? -25.70200 -22.16600 -1.24200  1.000 79.95272  ? 383 LYS A HB2  1 
ATOM   946  H  HB3  . LYS A 1 64  ? -26.78100 -22.13700 -2.36800  1.000 79.95272  ? 383 LYS A HB3  1 
ATOM   947  H  HG2  . LYS A 1 64  ? -28.20600 -23.24800 -1.18800  1.000 96.71143  ? 383 LYS A HG2  1 
ATOM   948  H  HG3  . LYS A 1 64  ? -27.13300 -24.26800 -0.70100  1.000 96.71143  ? 383 LYS A HG3  1 
ATOM   949  H  HD2  . LYS A 1 64  ? -26.41100 -22.52700 0.84400   1.000 74.13356  ? 383 LYS A HD2  1 
ATOM   950  H  HD3  . LYS A 1 64  ? -27.75500 -21.81400 0.50300   1.000 74.13356  ? 383 LYS A HD3  1 
ATOM   951  H  HE2  . LYS A 1 64  ? -28.86100 -23.91000 1.09500   1.000 72.51104  ? 383 LYS A HE2  1 
ATOM   952  H  HE3  . LYS A 1 64  ? -27.49500 -24.36400 1.69500   1.000 72.51104  ? 383 LYS A HE3  1 
ATOM   953  H  HZ1  . LYS A 1 64  ? -29.16000 -23.16100 3.05600   1.000 130.65678 ? 383 LYS A HZ1  1 
ATOM   954  H  HZ2  . LYS A 1 64  ? -27.74400 -23.07800 3.37200   1.000 130.65678 ? 383 LYS A HZ2  1 
ATOM   955  H  HZ3  . LYS A 1 64  ? -28.38500 -22.01300 2.61900   1.000 130.65678 ? 383 LYS A HZ3  1 
ATOM   956  N  N    . PHE A 1 65  ? -26.49600 -24.09600 -4.75900  1.000 51.52934  ? 384 PHE A N    1 
ATOM   957  C  CA   . PHE A 1 65  ? -27.30200 -24.75700 -5.78600  1.000 63.58645  ? 384 PHE A CA   1 
ATOM   958  C  C    . PHE A 1 65  ? -26.44400 -24.94000 -7.03400  1.000 58.23516  ? 384 PHE A C    1 
ATOM   959  O  O    . PHE A 1 65  ? -26.61000 -24.21800 -8.02500  1.000 81.38161  ? 384 PHE A O    1 
ATOM   960  C  CB   . PHE A 1 65  ? -28.56600 -23.94600 -6.09100  1.000 66.88103  ? 384 PHE A CB   1 
ATOM   961  C  CG   . PHE A 1 65  ? -29.38600 -23.63200 -4.86900  1.000 66.21709  ? 384 PHE A CG   1 
ATOM   962  C  CD1  . PHE A 1 65  ? -30.14900 -24.61700 -4.27300  1.000 82.51098  ? 384 PHE A CD1  1 
ATOM   963  C  CD2  . PHE A 1 65  ? -29.34700 -22.38200 -4.27900  1.000 58.10807  ? 384 PHE A CD2  1 
ATOM   964  C  CE1  . PHE A 1 65  ? -30.88800 -24.34900 -3.12100  1.000 104.52082 ? 384 PHE A CE1  1 
ATOM   965  C  CE2  . PHE A 1 65  ? -30.08200 -22.11600 -3.13700  1.000 74.70494  ? 384 PHE A CE2  1 
ATOM   966  C  CZ   . PHE A 1 65  ? -30.85300 -23.10000 -2.56200  1.000 59.48759  ? 384 PHE A CZ   1 
ATOM   967  H  H    . PHE A 1 65  ? -26.05400 -23.41800 -5.05100  1.000 61.82476  ? 384 PHE A H    1 
ATOM   968  H  HA   . PHE A 1 65  ? -27.59300 -25.62600 -5.46800  1.000 76.51705  ? 384 PHE A HA   1 
ATOM   969  H  HB2  . PHE A 1 65  ? -28.31300 -23.11600 -6.52400  1.000 80.47054  ? 384 PHE A HB2  1 
ATOM   970  H  HB3  . PHE A 1 65  ? -29.11400 -24.43900 -6.72200  1.000 80.47054  ? 384 PHE A HB3  1 
ATOM   971  H  HD1  . PHE A 1 65  ? -30.17000 -25.46900 -4.64400  1.000 99.22649  ? 384 PHE A HD1  1 
ATOM   972  H  HD2  . PHE A 1 65  ? -28.82100 -21.71300 -4.65400  1.000 69.94300  ? 384 PHE A HD2  1 
ATOM   973  H  HE1  . PHE A 1 65  ? -31.40400 -25.01800 -2.73300  1.000 125.63830 ? 384 PHE A HE1  1 
ATOM   974  H  HE2  . PHE A 1 65  ? -30.05500 -21.26800 -2.75600  1.000 89.85924  ? 384 PHE A HE2  1 
ATOM   975  H  HZ   . PHE A 1 65  ? -31.34800 -22.91700 -1.79600  1.000 71.59842  ? 384 PHE A HZ   1 
ATOM   976  N  N    . PRO A 1 66  ? -25.50500 -25.89700 -7.02000  1.000 62.54797  ? 385 PRO A N    1 
ATOM   977  C  CA   . PRO A 1 66  ? -24.55600 -25.94700 -8.12600  1.000 56.62674  ? 385 PRO A CA   1 
ATOM   978  C  C    . PRO A 1 66  ? -25.15200 -26.38500 -9.46300  1.000 77.27289  ? 385 PRO A C    1 
ATOM   979  O  O    . PRO A 1 66  ? -24.74700 -25.89200 -10.51500 1.000 68.21430  ? 385 PRO A O    1 
ATOM   980  C  CB   . PRO A 1 66  ? -23.47600 -26.93300 -7.65500  1.000 59.26592  ? 385 PRO A CB   1 
ATOM   981  C  CG   . PRO A 1 66  ? -23.83100 -27.32200 -6.29700  1.000 82.93507  ? 385 PRO A CG   1 
ATOM   982  C  CD   . PRO A 1 66  ? -25.15600 -26.78600 -5.90600  1.000 58.64705  ? 385 PRO A CD   1 
ATOM   983  H  HA   . PRO A 1 66  ? -24.22000 -25.05700 -8.31500  1.000 66.88553  ? 385 PRO A HA   1 
ATOM   984  H  HB2  . PRO A 1 66  ? -23.43900 -27.70800 -8.23700  1.000 70.07122  ? 385 PRO A HB2  1 
ATOM   985  H  HB3  . PRO A 1 66  ? -22.59900 -26.52000 -7.67700  1.000 70.07122  ? 385 PRO A HB3  1 
ATOM   986  H  HG2  . PRO A 1 66  ? -23.83900 -28.29000 -6.22800  1.000 99.73539  ? 385 PRO A HG2  1 
ATOM   987  H  HG3  . PRO A 1 66  ? -23.15600 -27.00000 -5.68000  1.000 99.73539  ? 385 PRO A HG3  1 
ATOM   988  H  HD2  . PRO A 1 66  ? -25.81000 -27.49400 -5.79500  1.000 69.30990  ? 385 PRO A HD2  1 
ATOM   989  H  HD3  . PRO A 1 66  ? -25.11300 -26.30500 -5.06500  1.000 69.30990  ? 385 PRO A HD3  1 
ATOM   990  N  N    . THR A 1 67  ? -26.08600 -27.34100 -9.41100  1.000 62.45586  ? 386 THR A N    1 
ATOM   991  C  CA   . THR A 1 67  ? -26.78700 -27.79900 -10.60300 1.000 79.85928  ? 386 THR A CA   1 
ATOM   992  C  C    . THR A 1 67  ? -27.68600 -26.75400 -11.26000 1.000 66.72965  ? 386 THR A C    1 
ATOM   993  O  O    . THR A 1 67  ? -27.99800 -26.88800 -12.43400 1.000 115.05776 ? 386 THR A O    1 
ATOM   994  C  CB   . THR A 1 67  ? -27.65000 -29.00900 -10.28900 1.000 70.87648  ? 386 THR A CB   1 
ATOM   995  O  OG1  . THR A 1 67  ? -28.54800 -28.67000 -9.21800  1.000 92.42209  ? 386 THR A OG1  1 
ATOM   996  C  CG2  . THR A 1 67  ? -26.81900 -30.20700 -9.91200  1.000 97.44669  ? 386 THR A CG2  1 
ATOM   997  H  H    . THR A 1 67  ? -26.32600 -27.73700 -8.68600  1.000 74.54390  ? 386 THR A H    1 
ATOM   998  H  HA   . THR A 1 67  ? -26.07700 -28.01200 -11.22800 1.000 96.04445  ? 386 THR A HA   1 
ATOM   999  H  HB   . THR A 1 67  ? -28.15000 -29.24800 -11.08500 1.000 85.26508  ? 386 THR A HB   1 
ATOM   1000 H  HG21 . THR A 1 67  ? -27.40200 -30.95800 -9.71900  1.000 117.14934 ? 386 THR A HG21 1 
ATOM   1001 H  HG22 . THR A 1 67  ? -26.23000 -30.43700 -10.64700 1.000 117.14934 ? 386 THR A HG22 1 
ATOM   1002 H  HG23 . THR A 1 67  ? -26.28900 -29.99900 -9.12600  1.000 117.14934 ? 386 THR A HG23 1 
ATOM   1003 N  N    . LYS A 1 68  ? -28.08500 -25.72400 -10.50800 1.000 77.33786  ? 387 LYS A N    1 
ATOM   1004 C  CA   . LYS A 1 68  ? -29.09800 -24.78300 -10.95300 1.000 74.01007  ? 387 LYS A CA   1 
ATOM   1005 C  C    . LYS A 1 68  ? -28.56300 -23.41300 -11.36600 1.000 63.68240  ? 387 LYS A C    1 
ATOM   1006 O  O    . LYS A 1 68  ? -29.14300 -22.75000 -12.21400 1.000 88.89888  ? 387 LYS A O    1 
ATOM   1007 C  CB   . LYS A 1 68  ? -30.13500 -24.62800 -9.83200  1.000 92.22598  ? 387 LYS A CB   1 
ATOM   1008 C  CG   . LYS A 1 68  ? -30.86400 -25.95200 -9.52100  1.000 114.52055 ? 387 LYS A CG   1 
ATOM   1009 C  CD   . LYS A 1 68  ? -31.92800 -25.82400 -8.45400  1.000 121.36306 ? 387 LYS A CD   1 
ATOM   1010 C  CE   . LYS A 1 68  ? -32.44700 -27.16800 -7.99300  1.000 127.76900 ? 387 LYS A CE   1 
ATOM   1011 N  NZ   . LYS A 1 68  ? -33.41500 -27.02700 -6.86800  1.000 113.84102 ? 387 LYS A NZ   1 
ATOM   1012 H  H    . LYS A 1 68  ? -27.77100 -25.55700 -9.72500  1.000 93.01874  ? 387 LYS A H    1 
ATOM   1013 H  HA   . LYS A 1 68  ? -29.49000 -25.15200 -11.76000 1.000 89.02540  ? 387 LYS A HA   1 
ATOM   1014 H  HB2  . LYS A 1 68  ? -29.69500 -24.30700 -9.02900  1.000 110.88449 ? 387 LYS A HB2  1 
ATOM   1015 H  HB3  . LYS A 1 68  ? -30.78600 -23.95500 -10.08700 1.000 110.88449 ? 387 LYS A HB3  1 
ATOM   1016 H  HG2  . LYS A 1 68  ? -31.27200 -26.28600 -10.33500 1.000 137.63797 ? 387 LYS A HG2  1 
ATOM   1017 H  HG3  . LYS A 1 68  ? -30.21200 -26.61200 -9.23900  1.000 137.63797 ? 387 LYS A HG3  1 
ATOM   1018 H  HD2  . LYS A 1 68  ? -31.56400 -25.34300 -7.69400  1.000 145.84898 ? 387 LYS A HD2  1 
ATOM   1019 H  HD3  . LYS A 1 68  ? -32.66500 -25.29600 -8.79800  1.000 145.84898 ? 387 LYS A HD3  1 
ATOM   1020 H  HE2  . LYS A 1 68  ? -32.87600 -27.62200 -8.73500  1.000 153.53611 ? 387 LYS A HE2  1 
ATOM   1021 H  HE3  . LYS A 1 68  ? -31.70300 -27.72400 -7.71300  1.000 153.53611 ? 387 LYS A HE3  1 
ATOM   1022 H  HZ1  . LYS A 1 68  ? -33.42600 -27.77700 -6.39000  1.000 136.82254 ? 387 LYS A HZ1  1 
ATOM   1023 H  HZ2  . LYS A 1 68  ? -33.16900 -26.34800 -6.34800  1.000 136.82254 ? 387 LYS A HZ2  1 
ATOM   1024 H  HZ3  . LYS A 1 68  ? -34.22900 -26.87200 -7.19400  1.000 136.82254 ? 387 LYS A HZ3  1 
ATOM   1025 N  N    . VAL A 1 69  ? -27.45200 -22.97900 -10.77200 1.000 83.71719  ? 388 VAL A N    1 
ATOM   1026 C  CA   . VAL A 1 69  ? -26.88800 -21.67500 -11.06800 1.000 49.87584  ? 388 VAL A CA   1 
ATOM   1027 C  C    . VAL A 1 69  ? -25.40200 -21.89100 -11.31100 1.000 65.45372  ? 388 VAL A C    1 
ATOM   1028 O  O    . VAL A 1 69  ? -24.78800 -22.64100 -10.56500 1.000 54.26930  ? 388 VAL A O    1 
ATOM   1029 C  CB   . VAL A 1 69  ? -27.12400 -20.71700 -9.89700  1.000 73.54291  ? 388 VAL A CB   1 
ATOM   1030 C  CG1  . VAL A 1 69  ? -26.58700 -19.34000 -10.20200 1.000 48.76844  ? 388 VAL A CG1  1 
ATOM   1031 C  CG2  . VAL A 1 69  ? -28.60000 -20.68600 -9.50400  1.000 81.13507  ? 388 VAL A CG2  1 
ATOM   1032 H  H    . VAL A 1 69  ? -27.01000 -23.43300 -10.19000 1.000 100.67394 ? 388 VAL A H    1 
ATOM   1033 H  HA   . VAL A 1 69  ? -27.30600 -21.27600 -11.84700 1.000 60.06432  ? 388 VAL A HA   1 
ATOM   1034 H  HB   . VAL A 1 69  ? -26.63100 -21.04900 -9.13000  1.000 88.46480  ? 388 VAL A HB   1 
ATOM   1035 H  HG11 . VAL A 1 69  ? -26.74900 -18.75400 -9.44600  1.000 58.73544  ? 388 VAL A HG11 1 
ATOM   1036 H  HG12 . VAL A 1 69  ? -25.63300 -19.39400 -10.37000 1.000 58.73544  ? 388 VAL A HG12 1 
ATOM   1037 H  HG13 . VAL A 1 69  ? -27.03300 -18.98500 -10.98700 1.000 58.73544  ? 388 VAL A HG13 1 
ATOM   1038 H  HG21 . VAL A 1 69  ? -28.72500 -20.07400 -8.76200  1.000 97.57539  ? 388 VAL A HG21 1 
ATOM   1039 H  HG22 . VAL A 1 69  ? -29.13000 -20.38900 -10.26000 1.000 97.57539  ? 388 VAL A HG22 1 
ATOM   1040 H  HG23 . VAL A 1 69  ? -28.88400 -21.57500 -9.24000  1.000 97.57539  ? 388 VAL A HG23 1 
ATOM   1041 N  N    . GLY A 1 70  ? -24.85200 -21.24100 -12.34100 1.000 56.38566  ? 389 GLY A N    1 
ATOM   1042 C  CA   . GLY A 1 70  ? -23.42500 -21.28600 -12.61800 1.000 48.78495  ? 389 GLY A CA   1 
ATOM   1043 C  C    . GLY A 1 70  ? -22.68300 -20.25900 -11.76900 1.000 50.25755  ? 389 GLY A C    1 
ATOM   1044 O  O    . GLY A 1 70  ? -23.29500 -19.37500 -11.17700 1.000 47.09794  ? 389 GLY A O    1 
ATOM   1045 H  H    . GLY A 1 70  ? -25.30200 -20.76200 -12.89600 1.000 67.87611  ? 389 GLY A H    1 
ATOM   1046 H  HA2  . GLY A 1 70  ? -23.08200 -22.17400 -12.43400 1.000 58.75526  ? 389 GLY A HA2  1 
ATOM   1047 H  HA3  . GLY A 1 70  ? -23.26700 -21.11100 -13.55900 1.000 58.75526  ? 389 GLY A HA3  1 
ATOM   1048 N  N    . LYS A 1 71  ? -21.36300 -20.40600 -11.74200 1.000 44.75511  ? 390 LYS A N    1 
ATOM   1049 C  CA   . LYS A 1 71  ? -20.55300 -19.43400 -10.97600 1.000 42.40736  ? 390 LYS A CA   1 
ATOM   1050 C  C    . LYS A 1 71  ? -20.17500 -18.26500 -11.88100 1.000 41.07954  ? 390 LYS A C    1 
ATOM   1051 O  O    . LYS A 1 71  ? -20.33000 -18.39200 -13.11300 1.000 52.27387  ? 390 LYS A O    1 
ATOM   1052 C  CB   . LYS A 1 71  ? -19.31500 -20.10900 -10.37700 1.000 80.26476  ? 390 LYS A CB   1 
ATOM   1053 C  CG   . LYS A 1 71  ? -18.24800 -20.53200 -11.37600 1.000 98.71169  ? 390 LYS A CG   1 
ATOM   1054 C  CD   . LYS A 1 71  ? -17.03300 -21.14000 -10.71300 1.000 76.40609  ? 390 LYS A CD   1 
ATOM   1055 C  CE   . LYS A 1 71  ? -17.30800 -21.62900 -9.30700  1.000 113.75912 ? 390 LYS A CE   1 
ATOM   1056 N  NZ   . LYS A 1 71  ? -17.51400 -23.09600 -9.26900  1.000 126.38507 ? 390 LYS A NZ   1 
ATOM   1057 H  H    . LYS A 1 71  ? -20.92300 -21.02900 -12.13800 1.000 52.63957  ? 390 LYS A H    1 
ATOM   1058 H  HA   . LYS A 1 71  ? -21.07600 -19.09200 -10.23400 1.000 49.82227  ? 390 LYS A HA   1 
ATOM   1059 H  HB2  . LYS A 1 71  ? -18.91300 -19.50100 -9.73700  1.000 96.53102  ? 390 LYS A HB2  1 
ATOM   1060 H  HB3  . LYS A 1 71  ? -19.60100 -20.89300 -9.88300  1.000 96.53102  ? 390 LYS A HB3  1 
ATOM   1061 H  HG2  . LYS A 1 71  ? -18.62800 -21.17400 -11.99600 1.000 118.66734 ? 390 LYS A HG2  1 
ATOM   1062 H  HG3  . LYS A 1 71  ? -17.97500 -19.76100 -11.89700 1.000 118.66734 ? 390 LYS A HG3  1 
ATOM   1063 H  HD2  . LYS A 1 71  ? -16.71400 -21.88100 -11.25100 1.000 91.90062  ? 390 LYS A HD2  1 
ATOM   1064 H  HD3  . LYS A 1 71  ? -16.32100 -20.48100 -10.68700 1.000 91.90062  ? 390 LYS A HD3  1 
ATOM   1065 H  HE2  . LYS A 1 71  ? -16.56500 -21.39100 -8.73000  1.000 136.72426 ? 390 LYS A HE2  1 
ATOM   1066 H  HE3  . LYS A 1 71  ? -18.09400 -21.18200 -8.95600  1.000 136.72426 ? 390 LYS A HE3  1 
ATOM   1067 H  HZ1  . LYS A 1 71  ? -17.98500 -23.31100 -8.54500  1.000 151.87540 ? 390 LYS A HZ1  1 
ATOM   1068 H  HZ2  . LYS A 1 71  ? -17.95600 -23.35300 -9.99700  1.000 151.87540 ? 390 LYS A HZ2  1 
ATOM   1069 H  HZ3  . LYS A 1 71  ? -16.72500 -23.50600 -9.24200  1.000 151.87540 ? 390 LYS A HZ3  1 
ATOM   1070 N  N    . ALA A 1 72  ? -19.71300 -17.17300 -11.28800 1.000 39.10042  ? 391 ALA A N    1 
ATOM   1071 C  CA   . ALA A 1 72  ? -19.27100 -15.99600 -11.97300 1.000 46.73646  ? 391 ALA A CA   1 
ATOM   1072 C  C    . ALA A 1 72  ? -18.12200 -16.38800 -12.88500 1.000 53.72970  ? 391 ALA A C    1 
ATOM   1073 O  O    . ALA A 1 72  ? -17.52300 -17.45100 -12.72000 1.000 41.78939  ? 391 ALA A O    1 
ATOM   1074 C  CB   . ALA A 1 72  ? -18.81300 -14.98100 -10.97100 1.000 42.73026  ? 391 ALA A CB   1 
ATOM   1075 H  H    . ALA A 1 72  ? -19.65000 -17.10600 -10.43300 1.000 45.85395  ? 391 ALA A H    1 
ATOM   1076 H  HA   . ALA A 1 72  ? -19.99200 -15.61100 -12.49600 1.000 56.29706  ? 391 ALA A HA   1 
ATOM   1077 H  HB1  . ALA A 1 72  ? -18.51300 -14.18300 -11.43300 1.000 51.48963  ? 391 ALA A HB1  1 
ATOM   1078 H  HB2  . ALA A 1 72  ? -19.54800 -14.75500 -10.38000 1.000 51.48963  ? 391 ALA A HB2  1 
ATOM   1079 H  HB3  . ALA A 1 72  ? -18.08100 -15.34700 -10.45100 1.000 51.48963  ? 391 ALA A HB3  1 
ATOM   1080 N  N    . CYS A 1 73  ? -17.79800 -15.50700 -13.83200 1.000 42.34920  ? 392 CYS A N    1 
ATOM   1081 C  CA   . CYS A 1 73  ? -16.89000 -15.81300 -14.93000 1.000 42.11297  ? 392 CYS A CA   1 
ATOM   1082 C  C    . CYS A 1 73  ? -15.71500 -14.84200 -14.92800 1.000 41.85375  ? 392 CYS A C    1 
ATOM   1083 O  O    . CYS A 1 73  ? -15.91300 -13.62600 -14.83100 1.000 40.30341  ? 392 CYS A O    1 
ATOM   1084 C  CB   . CYS A 1 73  ? -17.64000 -15.74400 -16.26700 1.000 56.84448  ? 392 CYS A CB   1 
ATOM   1085 S  SG   . CYS A 1 73  ? -16.89400 -16.62700 -17.65900 1.000 78.75384  ? 392 CYS A SG   1 
ATOM   1086 H  H    . CYS A 1 73  ? -18.10600 -14.70400 -13.85200 1.000 51.03235  ? 392 CYS A H    1 
ATOM   1087 H  HA   . CYS A 1 73  ? -16.54600 -16.71200 -14.81300 1.000 49.46900  ? 392 CYS A HA   1 
ATOM   1088 H  HB2  . CYS A 1 73  ? -18.53500 -16.09300 -16.13100 1.000 68.42669  ? 392 CYS A HB2  1 
ATOM   1089 H  HB3  . CYS A 1 73  ? -17.73400 -14.81100 -16.51500 1.000 68.42669  ? 392 CYS A HB3  1 
ATOM   1090 N  N    . CYS A 1 74  ? -14.49700 -15.37800 -15.03500 1.000 34.35722  ? 393 CYS A N    1 
ATOM   1091 C  CA   . CYS A 1 74  ? -13.29300 -14.56200 -15.18800 1.000 48.48057  ? 393 CYS A CA   1 
ATOM   1092 C  C    . CYS A 1 74  ? -13.23400 -14.05600 -16.62800 1.000 53.90725  ? 393 CYS A C    1 
ATOM   1093 O  O    . CYS A 1 74  ? -12.99400 -14.85100 -17.52900 1.000 35.16882  ? 393 CYS A O    1 
ATOM   1094 C  CB   . CYS A 1 74  ? -12.04000 -15.36800 -14.85700 1.000 33.64445  ? 393 CYS A CB   1 
ATOM   1095 S  SG   . CYS A 1 74  ? -10.51800 -14.39200 -14.91500 1.000 42.38935  ? 393 CYS A SG   1 
ATOM   1096 H  H    . CYS A 1 74  ? -14.34700 -16.22500 -15.02100 1.000 41.44197  ? 393 CYS A H    1 
ATOM   1097 H  HA   . CYS A 1 74  ? -13.32900 -13.81400 -14.57200 1.000 58.38999  ? 393 CYS A HA   1 
ATOM   1098 H  HB2  . CYS A 1 74  ? -12.13600 -15.75200 -13.97200 1.000 40.58665  ? 393 CYS A HB2  1 
ATOM   1099 H  HB3  . CYS A 1 74  ? -11.96600 -16.10700 -15.48000 1.000 40.58665  ? 393 CYS A HB3  1 
ATOM   1100 N  N    . VAL A 1 75  ? -13.40400 -12.73500 -16.81000 1.000 32.98584  ? 394 VAL A N    1 
ATOM   1101 C  CA   . VAL A 1 75  ? -13.51200 -12.12600 -18.11300 1.000 35.69936  ? 394 VAL A CA   1 
ATOM   1102 C  C    . VAL A 1 75  ? -12.69900 -10.83600 -18.16900 1.000 50.28850  ? 394 VAL A C    1 
ATOM   1103 O  O    . VAL A 1 75  ? -12.45300 -10.21500 -17.13900 1.000 34.58183  ? 394 VAL A O    1 
ATOM   1104 C  CB   . VAL A 1 75  ? -15.01500 -11.74200 -18.47500 1.000 51.33201  ? 394 VAL A CB   1 
ATOM   1105 C  CG1  . VAL A 1 75  ? -15.89500 -12.94100 -18.72800 1.000 45.62587  ? 394 VAL A CG1  1 
ATOM   1106 C  CG2  . VAL A 1 75  ? -15.60500 -10.82900 -17.40600 1.000 52.06830  ? 394 VAL A CG2  1 
ATOM   1107 H  H    . VAL A 1 75  ? -13.45900 -12.17400 -16.16100 1.000 39.79632  ? 394 VAL A H    1 
ATOM   1108 H  HA   . VAL A 1 75  ? -13.18000 -12.78300 -18.74500 1.000 43.05255  ? 394 VAL A HA   1 
ATOM   1109 H  HB   . VAL A 1 75  ? -14.98500 -11.25900 -19.31600 1.000 61.81172  ? 394 VAL A HB   1 
ATOM   1110 H  HG11 . VAL A 1 75  ? -16.79300 -12.64400 -18.94200 1.000 54.96436  ? 394 VAL A HG11 1 
ATOM   1111 H  HG12 . VAL A 1 75  ? -15.53900 -13.45300 -19.47000 1.000 54.96436  ? 394 VAL A HG12 1 
ATOM   1112 H  HG13 . VAL A 1 75  ? -15.92000 -13.49800 -17.93400 1.000 54.96436  ? 394 VAL A HG13 1 
ATOM   1113 H  HG21 . VAL A 1 75  ? -16.51900 -10.60400 -17.64000 1.000 62.69527  ? 394 VAL A HG21 1 
ATOM   1114 H  HG22 . VAL A 1 75  ? -15.59400 -11.28400 -16.54900 1.000 62.69527  ? 394 VAL A HG22 1 
ATOM   1115 H  HG23 . VAL A 1 75  ? -15.07800 -10.01700 -17.34700 1.000 62.69527  ? 394 VAL A HG23 1 
ATOM   1116 N  N    . PRO A 1 76  ? -12.35700 -10.31200 -19.37500 1.000 27.08337  ? 395 PRO A N    1 
ATOM   1117 C  CA   . PRO A 1 76  ? -11.77900 -8.98600  -19.48400 1.000 37.74910  ? 395 PRO A CA   1 
ATOM   1118 C  C    . PRO A 1 76  ? -12.71300 -7.90900  -18.97700 1.000 41.78489  ? 395 PRO A C    1 
ATOM   1119 O  O    . PRO A 1 76  ? -13.90200 -7.92100  -19.29800 1.000 41.26946  ? 395 PRO A O    1 
ATOM   1120 C  CB   . PRO A 1 76  ? -11.53700 -8.82200  -20.99400 1.000 46.47666  ? 395 PRO A CB   1 
ATOM   1121 C  CG   . PRO A 1 76  ? -11.51700 -10.16600 -21.48000 1.000 38.10014  ? 395 PRO A CG   1 
ATOM   1122 C  CD   . PRO A 1 76  ? -12.47500 -10.95100 -20.68600 1.000 29.75324  ? 395 PRO A CD   1 
ATOM   1123 H  HA   . PRO A 1 76  ? -10.97500 -8.89600  -18.94900 1.000 45.51224  ? 395 PRO A HA   1 
ATOM   1124 H  HB2  . PRO A 1 76  ? -12.24000 -8.30200  -21.41300 1.000 55.98531  ? 395 PRO A HB2  1 
ATOM   1125 H  HB3  . PRO A 1 76  ? -10.70000 -8.36500  -21.17400 1.000 55.98531  ? 395 PRO A HB3  1 
ATOM   1126 H  HG2  . PRO A 1 76  ? -11.75500 -10.19000 -22.42000 1.000 45.93348  ? 395 PRO A HG2  1 
ATOM   1127 H  HG3  . PRO A 1 76  ? -10.62600 -10.54100 -21.40400 1.000 45.93348  ? 395 PRO A HG3  1 
ATOM   1128 H  HD2  . PRO A 1 76  ? -13.37600 -10.89400 -21.04000 1.000 35.91720  ? 395 PRO A HD2  1 
ATOM   1129 H  HD3  . PRO A 1 76  ? -12.24100 -11.89200 -20.65600 1.000 35.91720  ? 395 PRO A HD3  1 
ATOM   1130 N  N    . THR A 1 77  ? -12.13900 -6.96800  -18.23000 1.000 38.34405  ? 396 THR A N    1 
ATOM   1131 C  CA   . THR A 1 77  ? -12.89400 -5.84400  -17.70900 1.000 52.18316  ? 396 THR A CA   1 
ATOM   1132 C  C    . THR A 1 77  ? -12.31000 -4.55400  -18.27300 1.000 47.27369  ? 396 THR A C    1 
ATOM   1133 O  O    . THR A 1 77  ? -12.85000 -3.47700  -18.06800 1.000 64.22981  ? 396 THR A O    1 
ATOM   1134 C  CB   . THR A 1 77  ? -12.89100 -5.93200  -16.13300 1.000 39.44272  ? 396 THR A CB   1 
ATOM   1135 O  OG1  . THR A 1 77  ? -11.53400 -5.90200  -15.68400 1.000 41.35921  ? 396 THR A OG1  1 
ATOM   1136 C  CG2  . THR A 1 77  ? -13.57300 -7.18600  -15.63800 1.000 47.90071  ? 396 THR A CG2  1 
ATOM   1137 H  H    . THR A 1 77  ? -11.30600 -6.96700  -18.01500 1.000 46.22618  ? 396 THR A H    1 
ATOM   1138 H  HA   . THR A 1 77  ? -13.82400 -5.86000  -17.98500 1.000 62.83310  ? 396 THR A HA   1 
ATOM   1139 H  HB   . THR A 1 77  ? -13.38700 -5.17900  -15.77600 1.000 46.26470  ? 396 THR A HB   1 
ATOM   1140 H  HG1  . THR A 1 77  ? -11.03800 -6.24500  -16.26900 1.000 48.56450  ? 396 THR A HG1  1 
ATOM   1141 H  HG21 . THR A 1 77  ? -13.55200 -7.20500  -14.66800 1.000 57.69417  ? 396 THR A HG21 1 
ATOM   1142 H  HG22 . THR A 1 77  ? -14.49400 -7.19500  -15.94100 1.000 57.69417  ? 396 THR A HG22 1 
ATOM   1143 H  HG23 . THR A 1 77  ? -13.11100 -7.96500  -15.98600 1.000 57.69417  ? 396 THR A HG23 1 
ATOM   1144 N  N    . LYS A 1 78  ? -11.15500 -4.65800  -18.92600 1.000 62.02829  ? 397 LYS A N    1 
ATOM   1145 C  CA   . LYS A 1 78  ? -10.62700 -3.53700  -19.67700 1.000 55.18218  ? 397 LYS A CA   1 
ATOM   1146 C  C    . LYS A 1 78  ? -9.85800  -4.09900  -20.86900 1.000 54.93960  ? 397 LYS A C    1 
ATOM   1147 O  O    . LYS A 1 78  ? -9.14600  -5.08700  -20.72900 1.000 51.72163  ? 397 LYS A O    1 
ATOM   1148 C  CB   . LYS A 1 78  ? -9.76000  -2.65800  -18.76800 1.000 59.69578  ? 397 LYS A CB   1 
ATOM   1149 C  CG   . LYS A 1 78  ? -9.23700  -1.40200  -19.41700 1.000 69.00648  ? 397 LYS A CG   1 
ATOM   1150 C  CD   . LYS A 1 78  ? -8.51200  -0.47200  -18.43200 1.000 75.20655  ? 397 LYS A CD   1 
ATOM   1151 C  CE   . LYS A 1 78  ? -8.13400  0.84100   -19.04300 1.000 80.44505  ? 397 LYS A CE   1 
ATOM   1152 N  NZ   . LYS A 1 78  ? -7.37600  0.63500   -20.30500 1.000 116.97880 ? 397 LYS A NZ   1 
ATOM   1153 H  H    . LYS A 1 78  ? -10.66800 -5.36700  -18.94400 1.000 74.64726  ? 397 LYS A H    1 
ATOM   1154 H  HA   . LYS A 1 78  ? -11.33600 -2.96500  -20.00900 1.000 65.15205  ? 397 LYS A HA   1 
ATOM   1155 H  HB2  . LYS A 1 78  ? -10.27900 -2.41100  -17.98700 1.000 70.74559  ? 397 LYS A HB2  1 
ATOM   1156 H  HB3  . LYS A 1 78  ? -9.00700  -3.18300  -18.45400 1.000 70.74559  ? 397 LYS A HB3  1 
ATOM   1157 H  HG2  . LYS A 1 78  ? -8.62900  -1.64300  -20.13300 1.000 83.02109  ? 397 LYS A HG2  1 
ATOM   1158 H  HG3  . LYS A 1 78  ? -9.97600  -0.92200  -19.82200 1.000 83.02109  ? 397 LYS A HG3  1 
ATOM   1159 H  HD2  . LYS A 1 78  ? -9.08300  -0.31400  -17.66400 1.000 90.46117  ? 397 LYS A HD2  1 
ATOM   1160 H  HD3  . LYS A 1 78  ? -7.71300  -0.91400  -18.10500 1.000 90.46117  ? 397 LYS A HD3  1 
ATOM   1161 H  HE2  . LYS A 1 78  ? -8.93300  1.36200   -19.22100 1.000 96.74738  ? 397 LYS A HE2  1 
ATOM   1162 H  HE3  . LYS A 1 78  ? -7.59700  1.35100   -18.41700 1.000 96.74738  ? 397 LYS A HE3  1 
ATOM   1163 H  HZ1  . LYS A 1 78  ? -6.98800  1.39900   -20.54600 1.000 140.58787 ? 397 LYS A HZ1  1 
ATOM   1164 H  HZ2  . LYS A 1 78  ? -6.75300  0.01300   -20.17900 1.000 140.58787 ? 397 LYS A HZ2  1 
ATOM   1165 H  HZ3  . LYS A 1 78  ? -7.93300  0.37000   -20.94600 1.000 140.58787 ? 397 LYS A HZ3  1 
ATOM   1166 N  N    . LEU A 1 79  ? -10.01400 -3.45400  -22.03300 1.000 47.41950  ? 398 LEU A N    1 
ATOM   1167 C  CA   . LEU A 1 79  ? -9.37000  -3.87300  -23.26500 1.000 38.71084  ? 398 LEU A CA   1 
ATOM   1168 C  C    . LEU A 1 79  ? -8.51900  -2.73200  -23.81000 1.000 42.83836  ? 398 LEU A C    1 
ATOM   1169 O  O    . LEU A 1 79  ? -8.75100  -1.57200  -23.51100 1.000 42.05609  ? 398 LEU A O    1 
ATOM   1170 C  CB   . LEU A 1 79  ? -10.41700 -4.26000  -24.26000 1.000 38.71962  ? 398 LEU A CB   1 
ATOM   1171 C  CG   . LEU A 1 79  ? -11.33400 -5.40000  -23.88200 1.000 42.55557  ? 398 LEU A CG   1 
ATOM   1172 C  CD1  . LEU A 1 79  ? -12.50600 -5.47500  -24.84800 1.000 36.25609  ? 398 LEU A CD1  1 
ATOM   1173 C  CD2  . LEU A 1 79  ? -10.56700 -6.70200  -23.82000 1.000 37.83598  ? 398 LEU A CD2  1 
ATOM   1174 H  H    . LEU A 1 79  ? -10.50500 -2.75300  -22.12100 1.000 57.11671  ? 398 LEU A H    1 
ATOM   1175 H  HA   . LEU A 1 79  ? -8.79600  -4.63600  -23.09400 1.000 45.38645  ? 398 LEU A HA   1 
ATOM   1176 H  HB2  . LEU A 1 79  ? -10.96400 -3.48000  -24.44100 1.000 46.67685  ? 398 LEU A HB2  1 
ATOM   1177 H  HB3  . LEU A 1 79  ? -9.97300  -4.49300  -25.09000 1.000 46.67685  ? 398 LEU A HB3  1 
ATOM   1178 H  HG   . LEU A 1 79  ? -11.69400 -5.23700  -22.99600 1.000 51.27999  ? 398 LEU A HG   1 
ATOM   1179 H  HD11 . LEU A 1 79  ? -13.08700 -6.21000  -24.59600 1.000 42.44075  ? 398 LEU A HD11 1 
ATOM   1180 H  HD12 . LEU A 1 79  ? -13.00500 -4.64400  -24.81700 1.000 42.44075  ? 398 LEU A HD12 1 
ATOM   1181 H  HD13 . LEU A 1 79  ? -12.17500 -5.62000  -25.74800 1.000 42.44075  ? 398 LEU A HD13 1 
ATOM   1182 H  HD21 . LEU A 1 79  ? -11.17000 -7.42200  -23.57600 1.000 45.61649  ? 398 LEU A HD21 1 
ATOM   1183 H  HD22 . LEU A 1 79  ? -10.17500 -6.88900  -24.68800 1.000 45.61649  ? 398 LEU A HD22 1 
ATOM   1184 H  HD23 . LEU A 1 79  ? -9.86300  -6.63200  -23.15600 1.000 45.61649  ? 398 LEU A HD23 1 
ATOM   1185 N  N    . SER A 1 80  ? -7.50100  -3.08300  -24.58900 1.000 40.18834  ? 399 SER A N    1 
ATOM   1186 C  CA   . SER A 1 80  ? -6.65700  -2.10000  -25.23100 1.000 41.87111  ? 399 SER A CA   1 
ATOM   1187 C  C    . SER A 1 80  ? -6.73600  -2.27200  -26.73600 1.000 41.72312  ? 399 SER A C    1 
ATOM   1188 O  O    . SER A 1 80  ? -6.96000  -3.38700  -27.20900 1.000 43.49211  ? 399 SER A O    1 
ATOM   1189 C  CB   . SER A 1 80  ? -5.20200  -2.29900  -24.83400 1.000 44.75644  ? 399 SER A CB   1 
ATOM   1190 O  OG   . SER A 1 80  ? -5.06900  -2.13200  -23.44000 1.000 59.52793  ? 399 SER A OG   1 
ATOM   1191 H  H    . SER A 1 80  ? -7.28500  -3.89800  -24.75600 1.000 47.15945  ? 399 SER A H    1 
ATOM   1192 H  HA   . SER A 1 80  ? -6.96200  -1.22100  -24.95800 1.000 49.17877  ? 399 SER A HA   1 
ATOM   1193 H  HB2  . SER A 1 80  ? -4.90400  -3.18500  -25.09300 1.000 53.92104  ? 399 SER A HB2  1 
ATOM   1194 H  HB3  . SER A 1 80  ? -4.63900  -1.66200  -25.30100 1.000 53.92104  ? 399 SER A HB3  1 
ATOM   1195 H  HG   . SER A 1 80  ? -4.26600  -2.24300  -23.22000 1.000 71.64683  ? 399 SER A HG   1 
ATOM   1196 N  N    . PRO A 1 81  ? -6.39100  -1.22100  -27.50700 1.000 46.48156  ? 400 PRO A N    1 
ATOM   1197 C  CA   . PRO A 1 81  ? -6.30700  -1.33900  -28.95400 1.000 43.93047  ? 400 PRO A CA   1 
ATOM   1198 C  C    . PRO A 1 81  ? -4.96000  -1.85300  -29.47400 1.000 49.86941  ? 400 PRO A C    1 
ATOM   1199 O  O    . PRO A 1 81  ? -3.95700  -1.86300  -28.77600 1.000 44.27556  ? 400 PRO A O    1 
ATOM   1200 C  CB   . PRO A 1 81  ? -6.52500  0.08400   -29.39300 1.000 46.31167  ? 400 PRO A CB   1 
ATOM   1201 C  CG   . PRO A 1 81  ? -5.81100  0.92500   -28.22900 1.000 47.56692  ? 400 PRO A CG   1 
ATOM   1202 C  CD   . PRO A 1 81  ? -6.08300  0.13100   -27.00200 1.000 45.75950  ? 400 PRO A CD   1 
ATOM   1203 H  HA   . PRO A 1 81  ? -6.94200  -1.98800  -29.29600 1.000 51.65001  ? 400 PRO A HA   1 
ATOM   1204 H  HB2  . PRO A 1 81  ? -6.12700  0.25900   -30.26000 1.000 55.61270  ? 400 PRO A HB2  1 
ATOM   1205 H  HB3  . PRO A 1 81  ? -7.46800  0.29800   -29.46600 1.000 55.61270  ? 400 PRO A HB3  1 
ATOM   1206 H  HG2  . PRO A 1 81  ? -4.85900  1.01800   -28.38900 1.000 56.01374  ? 400 PRO A HG2  1 
ATOM   1207 H  HG3  . PRO A 1 81  ? -6.17600  1.82100   -28.16200 1.000 56.01374  ? 400 PRO A HG3  1 
ATOM   1208 H  HD2  . PRO A 1 81  ? -5.31600  0.12100   -26.40900 1.000 53.84484  ? 400 PRO A HD2  1 
ATOM   1209 H  HD3  . PRO A 1 81  ? -6.82600  0.49900   -26.49900 1.000 53.84484  ? 400 PRO A HD3  1 
ATOM   1210 N  N    . ILE A 1 82  ? -4.96200  -2.27200  -30.73700 1.000 46.21978  ? 401 ILE A N    1 
ATOM   1211 C  CA   . ILE A 1 82  ? -3.75600  -2.51900  -31.50100 1.000 49.12455  ? 401 ILE A CA   1 
ATOM   1212 C  C    . ILE A 1 82  ? -3.93000  -1.76700  -32.81400 1.000 55.08066  ? 401 ILE A C    1 
ATOM   1213 O  O    . ILE A 1 82  ? -5.00500  -1.26700  -33.12900 1.000 47.41146  ? 401 ILE A O    1 
ATOM   1214 C  CB   . ILE A 1 82  ? -3.49600  -4.03700  -31.72200 1.000 58.12952  ? 401 ILE A CB   1 
ATOM   1215 C  CG1  . ILE A 1 82  ? -4.52900  -4.67500  -32.66100 1.000 50.77698  ? 401 ILE A CG1  1 
ATOM   1216 C  CG2  . ILE A 1 82  ? -3.44100  -4.78500  -30.37100 1.000 46.84162  ? 401 ILE A CG2  1 
ATOM   1217 C  CD1  . ILE A 1 82  ? -4.13200  -6.03900  -33.27100 1.000 49.63131  ? 401 ILE A CD1  1 
ATOM   1218 H  H    . ILE A 1 82  ? -5.68400  -2.42200  -31.17900 1.000 55.67705  ? 401 ILE A H    1 
ATOM   1219 H  HA   . ILE A 1 82  ? -2.97300  -2.20600  -31.02200 1.000 59.16277  ? 401 ILE A HA   1 
ATOM   1220 H  HB   . ILE A 1 82  ? -2.63200  -4.11800  -32.15600 1.000 69.96874  ? 401 ILE A HB   1 
ATOM   1221 H  HG12 . ILE A 1 82  ? -5.35900  -4.78800  -32.17200 1.000 61.14569  ? 401 ILE A HG12 1 
ATOM   1222 H  HG13 . ILE A 1 82  ? -4.70800  -4.05600  -33.38600 1.000 61.14569  ? 401 ILE A HG13 1 
ATOM   1223 H  HG21 . ILE A 1 82  ? -3.27800  -5.72800  -30.52900 1.000 56.42325  ? 401 ILE A HG21 1 
ATOM   1224 H  HG22 . ILE A 1 82  ? -2.72500  -4.42100  -29.82800 1.000 56.42325  ? 401 ILE A HG22 1 
ATOM   1225 H  HG23 . ILE A 1 82  ? -4.28500  -4.67700  -29.90600 1.000 56.42325  ? 401 ILE A HG23 1 
ATOM   1226 H  HD11 . ILE A 1 82  ? -4.84600  -6.35700  -33.84600 1.000 59.77088  ? 401 ILE A HD11 1 
ATOM   1227 H  HD12 . ILE A 1 82  ? -3.32000  -5.93700  -33.79100 1.000 59.77088  ? 401 ILE A HD12 1 
ATOM   1228 H  HD13 . ILE A 1 82  ? -3.98100  -6.68000  -32.55900 1.000 59.77088  ? 401 ILE A HD13 1 
ATOM   1229 N  N    . SER A 1 83  ? -2.84000  -1.67600  -33.56100 1.000 48.37259  ? 402 SER A N    1 
ATOM   1230 C  CA   . SER A 1 83  ? -2.85300  -1.10900  -34.89300 1.000 50.52335  ? 402 SER A CA   1 
ATOM   1231 C  C    . SER A 1 83  ? -2.94500  -2.27500  -35.86300 1.000 53.13358  ? 402 SER A C    1 
ATOM   1232 O  O    . SER A 1 83  ? -2.29700  -3.30600  -35.65100 1.000 48.87986  ? 402 SER A O    1 
ATOM   1233 C  CB   . SER A 1 83  ? -1.59400  -0.29500  -35.16500 1.000 58.83286  ? 402 SER A CB   1 
ATOM   1234 O  OG   . SER A 1 83  ? -1.53100  0.81300   -34.27500 1.000 60.58075  ? 402 SER A OG   1 
ATOM   1235 H  H    . SER A 1 83  ? -2.06500  -1.94500  -33.30400 1.000 56.98055  ? 402 SER A H    1 
ATOM   1236 H  HA   . SER A 1 83  ? -3.60400  -0.50300  -34.99300 1.000 59.56146  ? 402 SER A HA   1 
ATOM   1237 H  HB2  . SER A 1 83  ? -0.80800  -0.85300  -35.05500 1.000 70.81274  ? 402 SER A HB2  1 
ATOM   1238 H  HB3  . SER A 1 83  ? -1.59400  0.01700   -36.08300 1.000 70.81274  ? 402 SER A HB3  1 
ATOM   1239 H  HG   . SER A 1 83  ? -2.28400  0.93200   -33.92100 1.000 72.91021  ? 402 SER A HG   1 
ATOM   1240 N  N    . VAL A 1 84  ? -3.77400  -2.09600  -36.90100 1.000 56.93244  ? 403 VAL A N    1 
ATOM   1241 C  CA   . VAL A 1 84  ? -3.86900  -3.05800  -37.99000 1.000 51.43111  ? 403 VAL A CA   1 
ATOM   1242 C  C    . VAL A 1 84  ? -3.75200  -2.33300  -39.32900 1.000 54.49986  ? 403 VAL A C    1 
ATOM   1243 O  O    . VAL A 1 84  ? -4.33300  -1.26100  -39.51100 1.000 56.00620  ? 403 VAL A O    1 
ATOM   1244 C  CB   . VAL A 1 84  ? -5.15700  -3.91200  -37.92400 1.000 49.78242  ? 403 VAL A CB   1 
ATOM   1245 C  CG1  . VAL A 1 84  ? -5.15500  -4.83800  -36.68200 1.000 58.52277  ? 403 VAL A CG1  1 
ATOM   1246 C  CG2  . VAL A 1 84  ? -6.42200  -3.05200  -37.97200 1.000 54.19532  ? 403 VAL A CG2  1 
ATOM   1247 H  H    . VAL A 1 84  ? -4.29200  -1.41500  -36.98700 1.000 68.53225  ? 403 VAL A H    1 
ATOM   1248 H  HA   . VAL A 1 84  ? -3.13100  -3.68100  -37.89800 1.000 60.79493  ? 403 VAL A HA   1 
ATOM   1249 H  HB   . VAL A 1 84  ? -5.16500  -4.47300  -38.71500 1.000 58.67234  ? 403 VAL A HB   1 
ATOM   1250 H  HG11 . VAL A 1 84  ? -5.97200  -5.36000  -36.66600 1.000 70.44064  ? 403 VAL A HG11 1 
ATOM   1251 H  HG12 . VAL A 1 84  ? -4.39100  -5.43500  -36.72400 1.000 70.44064  ? 403 VAL A HG12 1 
ATOM   1252 H  HG13 . VAL A 1 84  ? -5.10000  -4.30000  -35.87700 1.000 70.44064  ? 403 VAL A HG13 1 
ATOM   1253 H  HG21 . VAL A 1 84  ? -7.20400  -3.62400  -37.92800 1.000 65.24769  ? 403 VAL A HG21 1 
ATOM   1254 H  HG22 . VAL A 1 84  ? -6.42700  -2.44100  -37.21900 1.000 65.24769  ? 403 VAL A HG22 1 
ATOM   1255 H  HG23 . VAL A 1 84  ? -6.43800  -2.54600  -38.79900 1.000 65.24769  ? 403 VAL A HG23 1 
ATOM   1256 N  N    . LEU A 1 85  ? -2.95900  -2.92600  -40.22500 1.000 55.68458  ? 404 LEU A N    1 
ATOM   1257 C  CA   . LEU A 1 85  ? -2.97300  -2.59300  -41.64400 1.000 58.69304  ? 404 LEU A CA   1 
ATOM   1258 C  C    . LEU A 1 85  ? -4.00800  -3.42400  -42.40800 1.000 59.74006  ? 404 LEU A C    1 
ATOM   1259 O  O    . LEU A 1 85  ? -3.84400  -4.62600  -42.59800 1.000 69.50626  ? 404 LEU A O    1 
ATOM   1260 C  CB   . LEU A 1 85  ? -1.58900  -2.83200  -42.21300 1.000 60.27120  ? 404 LEU A CB   1 
ATOM   1261 C  CG   . LEU A 1 85  ? -1.35500  -2.40900  -43.61900 1.000 63.80700  ? 404 LEU A CG   1 
ATOM   1262 C  CD1  . LEU A 1 85  ? -1.59400  -0.92800  -43.77200 1.000 70.92855  ? 404 LEU A CD1  1 
ATOM   1263 C  CD2  . LEU A 1 85  ? 0.05800   -2.82000  -44.05500 1.000 65.17928  ? 404 LEU A CD2  1 
ATOM   1264 H  H    . LEU A 1 85  ? -2.39300  -3.54000  -40.01900 1.000 65.75494  ? 404 LEU A H    1 
ATOM   1265 H  HA   . LEU A 1 85  ? -3.22100  -1.66100  -41.74400 1.000 70.46321  ? 404 LEU A HA   1 
ATOM   1266 H  HB2  . LEU A 1 85  ? -0.94800  -2.37200  -41.64900 1.000 71.25889  ? 404 LEU A HB2  1 
ATOM   1267 H  HB3  . LEU A 1 85  ? -1.39600  -3.78000  -42.14700 1.000 71.25889  ? 404 LEU A HB3  1 
ATOM   1268 H  HG   . LEU A 1 85  ? -1.98600  -2.85700  -44.20300 1.000 75.50185  ? 404 LEU A HG   1 
ATOM   1269 H  HD11 . LEU A 1 85  ? -1.43700  -0.66800  -44.69300 1.000 85.32758  ? 404 LEU A HD11 1 
ATOM   1270 H  HD12 . LEU A 1 85  ? -2.51000  -0.72100  -43.52900 1.000 85.32758  ? 404 LEU A HD12 1 
ATOM   1271 H  HD13 . LEU A 1 85  ? -0.98800  -0.44100  -43.19200 1.000 85.32758  ? 404 LEU A HD13 1 
ATOM   1272 H  HD21 . LEU A 1 85  ? 0.20700   -2.54300  -44.97200 1.000 77.14858  ? 404 LEU A HD21 1 
ATOM   1273 H  HD22 . LEU A 1 85  ? 0.71100   -2.39400  -43.47800 1.000 77.14858  ? 404 LEU A HD22 1 
ATOM   1274 H  HD23 . LEU A 1 85  ? 0.14900   -3.78300  -43.99000 1.000 77.14858  ? 404 LEU A HD23 1 
ATOM   1275 N  N    . TYR A 1 86  ? -5.09900  -2.76900  -42.81400 1.000 81.60845  ? 405 TYR A N    1 
ATOM   1276 C  CA   . TYR A 1 86  ? -6.17000  -3.43500  -43.53100 1.000 83.04579  ? 405 TYR A CA   1 
ATOM   1277 C  C    . TYR A 1 86  ? -6.32800  -2.90800  -44.95800 1.000 77.22087  ? 405 TYR A C    1 
ATOM   1278 O  O    . TYR A 1 86  ? -5.59600  -2.01300  -45.39500 1.000 80.00087  ? 405 TYR A O    1 
ATOM   1279 C  CB   . TYR A 1 86  ? -7.47700  -3.30500  -42.75100 1.000 95.29694  ? 405 TYR A CB   1 
ATOM   1280 C  CG   . TYR A 1 86  ? -8.09800  -1.93500  -42.80900 1.000 97.59586  ? 405 TYR A CG   1 
ATOM   1281 C  CD1  . TYR A 1 86  ? -7.73100  -0.94400  -41.91000 1.000 74.83002  ? 405 TYR A CD1  1 
ATOM   1282 C  CD2  . TYR A 1 86  ? -9.03900  -1.61700  -43.78100 1.000 95.14724  ? 405 TYR A CD2  1 
ATOM   1283 C  CE1  . TYR A 1 86  ? -8.30400  0.32100   -41.96100 1.000 90.77163  ? 405 TYR A CE1  1 
ATOM   1284 C  CE2  . TYR A 1 86  ? -9.62400  -0.35900  -43.83500 1.000 77.70402  ? 405 TYR A CE2  1 
ATOM   1285 C  CZ   . TYR A 1 86  ? -9.25500  0.60700   -42.92100 1.000 93.61806  ? 405 TYR A CZ   1 
ATOM   1286 O  OH   . TYR A 1 86  ? -9.81600  1.85200   -42.97600 1.000 113.05813 ? 405 TYR A OH   1 
ATOM   1287 H  H    . TYR A 1 86  ? -5.23200  -1.93000  -42.67900 1.000 98.14345  ? 405 TYR A H    1 
ATOM   1288 H  HA   . TYR A 1 86  ? -5.93700  -4.37400  -43.60700 1.000 99.86826  ? 405 TYR A HA   1 
ATOM   1289 H  HB2  . TYR A 1 86  ? -8.11300  -3.95200  -43.09500 1.000 114.56964 ? 405 TYR A HB2  1 
ATOM   1290 H  HB3  . TYR A 1 86  ? -7.31200  -3.53500  -41.82300 1.000 114.56964 ? 405 TYR A HB3  1 
ATOM   1291 H  HD1  . TYR A 1 86  ? -7.09000  -1.13000  -41.26200 1.000 90.00933  ? 405 TYR A HD1  1 
ATOM   1292 H  HD2  . TYR A 1 86  ? -9.28200  -2.26000  -44.40800 1.000 114.39000 ? 405 TYR A HD2  1 
ATOM   1293 H  HE1  . TYR A 1 86  ? -8.04800  0.97400   -41.35000 1.000 109.13926 ? 405 TYR A HE1  1 
ATOM   1294 H  HE2  . TYR A 1 86  ? -10.26200 -0.16800  -44.48400 1.000 93.45813  ? 405 TYR A HE2  1 
ATOM   1295 H  HH   . TYR A 1 86  ? -9.22600  2.43200   -42.83200 1.000 135.88306 ? 405 TYR A HH   1 
ATOM   1296 N  N    . LYS A 1 87  ? -7.28300  -3.51600  -45.67800 1.000 93.79469  ? 406 LYS A N    1 
ATOM   1297 C  CA   . LYS A 1 87  ? -7.54200  -3.23800  -47.08400 1.000 100.51254 ? 406 LYS A CA   1 
ATOM   1298 C  C    . LYS A 1 87  ? -8.75600  -2.32200  -47.23900 1.000 89.51392  ? 406 LYS A C    1 
ATOM   1299 O  O    . LYS A 1 87  ? -9.86200  -2.70400  -46.86600 1.000 103.23799 ? 406 LYS A O    1 
ATOM   1300 C  CB   . LYS A 1 87  ? -7.74100  -4.54600  -47.84900 1.000 112.35787 ? 406 LYS A CB   1 
ATOM   1301 C  CG   . LYS A 1 87  ? -6.66500  -5.57500  -47.53600 1.000 118.59305 ? 406 LYS A CG   1 
ATOM   1302 C  CD   . LYS A 1 87  ? -6.47200  -6.56900  -48.66500 1.000 132.53432 ? 406 LYS A CD   1 
ATOM   1303 C  CE   . LYS A 1 87  ? -7.48400  -7.70100  -48.62100 1.000 121.20418 ? 406 LYS A CE   1 
ATOM   1304 N  NZ   . LYS A 1 87  ? -7.18200  -8.63400  -49.72300 1.000 95.37357  ? 406 LYS A NZ   1 
ATOM   1305 H  H    . LYS A 1 87  ? -7.80600  -4.11400  -45.34700 1.000 112.76694 ? 406 LYS A H    1 
ATOM   1306 H  HA   . LYS A 1 87  ? -6.77400  -2.77800  -47.45800 1.000 120.82835 ? 406 LYS A HA   1 
ATOM   1307 H  HB2  . LYS A 1 87  ? -8.61100  -4.91600  -47.63100 1.000 135.04275 ? 406 LYS A HB2  1 
ATOM   1308 H  HB3  . LYS A 1 87  ? -7.74200  -4.36300  -48.80200 1.000 135.04275 ? 406 LYS A HB3  1 
ATOM   1309 H  HG2  . LYS A 1 87  ? -5.82600  -5.12000  -47.36200 1.000 142.52497 ? 406 LYS A HG2  1 
ATOM   1310 H  HG3  . LYS A 1 87  ? -6.90300  -6.05200  -46.72500 1.000 142.52497 ? 406 LYS A HG3  1 
ATOM   1311 H  HD2  . LYS A 1 87  ? -6.54400  -6.10700  -49.51500 1.000 159.25450 ? 406 LYS A HD2  1 
ATOM   1312 H  HD3  . LYS A 1 87  ? -5.57600  -6.93800  -48.61800 1.000 159.25450 ? 406 LYS A HD3  1 
ATOM   1313 H  HE2  . LYS A 1 87  ? -7.44100  -8.16000  -47.76800 1.000 145.65833 ? 406 LYS A HE2  1 
ATOM   1314 H  HE3  . LYS A 1 87  ? -8.38500  -7.35300  -48.71000 1.000 145.65833 ? 406 LYS A HE3  1 
ATOM   1315 H  HZ1  . LYS A 1 87  ? -7.49100  -9.44300  -49.52000 1.000 114.66160 ? 406 LYS A HZ1  1 
ATOM   1316 H  HZ2  . LYS A 1 87  ? -7.57100  -8.34700  -50.47000 1.000 114.66160 ? 406 LYS A HZ2  1 
ATOM   1317 H  HZ3  . LYS A 1 87  ? -6.30100  -8.67500  -49.84400 1.000 114.66160 ? 406 LYS A HZ3  1 
ATOM   1318 N  N    . ASP A 1 88  ? -8.54200  -1.12900  -47.78600 1.000 73.91063  ? 407 ASP A N    1 
ATOM   1319 C  CA   . ASP A 1 88  ? -9.63400  -0.18300  -47.95000 1.000 159.87519 ? 407 ASP A CA   1 
ATOM   1320 C  C    . ASP A 1 88  ? -10.68600 -0.74400  -48.91100 1.000 162.02237 ? 407 ASP A C    1 
ATOM   1321 O  O    . ASP A 1 88  ? -10.49100 -1.77400  -49.56300 1.000 145.44240 ? 407 ASP A O    1 
ATOM   1322 C  CB   . ASP A 1 88  ? -9.09800  1.15800   -48.45400 1.000 145.22442 ? 407 ASP A CB   1 
ATOM   1323 C  CG   . ASP A 1 88  ? -10.10800 2.28300   -48.32300 1.000 155.57863 ? 407 ASP A CG   1 
ATOM   1324 O  OD1  . ASP A 1 88  ? -10.43500 2.66100   -47.17800 1.000 175.95165 ? 407 ASP A OD1  1 
ATOM   1325 O  OD2  . ASP A 1 88  ? -10.57200 2.79000   -49.36500 1.000 147.23138 ? 407 ASP A OD2  1 
ATOM   1326 H  H    . ASP A 1 88  ? -7.77800  -0.85200  -48.06600 1.000 88.90606  ? 407 ASP A H    1 
ATOM   1327 H  HA   . ASP A 1 88  ? -10.05700 -0.04000  -47.08900 1.000 192.06354 ? 407 ASP A HA   1 
ATOM   1328 H  HB2  . ASP A 1 88  ? -8.29700  1.38900   -47.95700 1.000 174.48261 ? 407 ASP A HB2  1 
ATOM   1329 H  HB3  . ASP A 1 88  ? -8.83900  1.06900   -49.38400 1.000 174.48261 ? 407 ASP A HB3  1 
ATOM   1330 N  N    . ASP A 1 89  ? -11.83200 -0.05900  -48.95800 1.000 156.89355 ? 408 ASP A N    1 
ATOM   1331 C  CA   . ASP A 1 89  ? -12.86500 -0.36100  -49.94000 1.000 113.40971 ? 408 ASP A CA   1 
ATOM   1332 C  C    . ASP A 1 89  ? -12.24400 -0.50800  -51.31800 1.000 130.70240 ? 408 ASP A C    1 
ATOM   1333 O  O    . ASP A 1 89  ? -12.44300 -1.51700  -51.99200 1.000 131.77122 ? 408 ASP A O    1 
ATOM   1334 C  CB   . ASP A 1 89  ? -13.96000 0.72700   -49.99000 1.000 124.55153 ? 408 ASP A CB   1 
ATOM   1335 C  CG   . ASP A 1 89  ? -14.87500 0.77800   -48.77500 1.000 157.07088 ? 408 ASP A CG   1 
ATOM   1336 O  OD1  . ASP A 1 89  ? -15.38700 -0.28600  -48.37000 1.000 134.84763 ? 408 ASP A OD1  1 
ATOM   1337 O  OD2  . ASP A 1 89  ? -15.09200 1.88700   -48.24100 1.000 149.94730 ? 408 ASP A OD2  1 
ATOM   1338 H  H    . ASP A 1 89  ? -12.02700 0.58700   -48.42500 1.000 188.48557 ? 408 ASP A H    1 
ATOM   1339 H  HA   . ASP A 1 89  ? -13.28300 -1.19300  -49.66900 1.000 136.30496 ? 408 ASP A HA   1 
ATOM   1340 H  HB2  . ASP A 1 89  ? -13.53300 1.59200   -50.09200 1.000 149.67514 ? 408 ASP A HB2  1 
ATOM   1341 H  HB3  . ASP A 1 89  ? -14.50300 0.58400   -50.78100 1.000 149.67514 ? 408 ASP A HB3  1 
ATOM   1342 N  N    . MET A 1 90  ? -11.45500 0.48300   -51.73900 1.000 139.90377 ? 409 MET A N    1 
ATOM   1343 C  CA   . MET A 1 90  ? -10.77800 0.41700   -53.02800 1.000 121.07218 ? 409 MET A CA   1 
ATOM   1344 C  C    . MET A 1 90  ? -9.64500  -0.60100  -53.05200 1.000 100.38386 ? 409 MET A C    1 
ATOM   1345 O  O    . MET A 1 90  ? -9.07400  -0.83900  -54.12100 1.000 146.97028 ? 409 MET A O    1 
ATOM   1346 C  CB   . MET A 1 90  ? -10.23500 1.79700   -53.40400 1.000 170.09603 ? 409 MET A CB   1 
ATOM   1347 C  CG   . MET A 1 90  ? -11.28100 2.90200   -53.38700 1.000 179.50012 ? 409 MET A CG   1 
ATOM   1348 S  SD   . MET A 1 90  ? -10.58700 4.52400   -53.76400 1.000 214.08516 ? 409 MET A SD   1 
ATOM   1349 C  CE   . MET A 1 90  ? -12.03400 5.56400   -53.58700 1.000 171.17222 ? 409 MET A CE   1 
ATOM   1350 H  H    . MET A 1 90  ? -11.30100 1.20100   -51.29100 1.000 168.09784 ? 409 MET A H    1 
ATOM   1351 H  HA   . MET A 1 90  ? -11.43800 0.12600   -53.67700 1.000 145.49993 ? 409 MET A HA   1 
ATOM   1352 H  HB2  . MET A 1 90  ? -9.52100  2.03100   -52.79000 1.000 204.32854 ? 409 MET A HB2  1 
ATOM   1353 H  HB3  . MET A 1 90  ? -9.84300  1.74900   -54.29000 1.000 204.32854 ? 409 MET A HB3  1 
ATOM   1354 H  HG2  . MET A 1 90  ? -11.97600 2.69400   -54.03100 1.000 215.61346 ? 409 MET A HG2  1 
ATOM   1355 H  HG3  . MET A 1 90  ? -11.70200 2.93000   -52.51400 1.000 215.61346 ? 409 MET A HG3  1 
ATOM   1356 H  HE1  . MET A 1 90  ? -11.79400 6.48600   -53.76700 1.000 205.61998 ? 409 MET A HE1  1 
ATOM   1357 H  HE2  . MET A 1 90  ? -12.71600 5.27900   -54.21500 1.000 205.61998 ? 409 MET A HE2  1 
ATOM   1358 H  HE3  . MET A 1 90  ? -12.37700 5.49000   -52.68300 1.000 205.61998 ? 409 MET A HE3  1 
ATOM   1359 N  N    . GLY A 1 91  ? -9.30700  -1.20300  -51.91600 1.000 159.77389 ? 410 GLY A N    1 
ATOM   1360 C  CA   . GLY A 1 91  ? -8.22300  -2.15900  -51.84300 1.000 150.53683 ? 410 GLY A CA   1 
ATOM   1361 C  C    . GLY A 1 91  ? -6.88800  -1.59300  -51.41800 1.000 135.89976 ? 410 GLY A C    1 
ATOM   1362 O  O    . GLY A 1 91  ? -5.88200  -2.30800  -51.49200 1.000 105.03541 ? 410 GLY A O    1 
ATOM   1363 H  H    . GLY A 1 91  ? -9.70500  -1.06400  -51.16600 1.000 191.94198 ? 410 GLY A H    1 
ATOM   1364 H  HA2  . GLY A 1 91  ? -8.47200  -2.86100  -51.22200 1.000 180.85750 ? 410 GLY A HA2  1 
ATOM   1365 H  HA3  . GLY A 1 91  ? -8.11900  -2.57400  -52.71300 1.000 180.85750 ? 410 GLY A HA3  1 
ATOM   1366 N  N    . VAL A 1 92  ? -6.84400  -0.34200  -50.97100 1.000 113.79836 ? 411 VAL A N    1 
ATOM   1367 C  CA   . VAL A 1 92  ? -5.58800  0.30600   -50.60300 1.000 135.21830 ? 411 VAL A CA   1 
ATOM   1368 C  C    . VAL A 1 92  ? -5.24100  -0.04200  -49.15800 1.000 113.75842 ? 411 VAL A C    1 
ATOM   1369 O  O    . VAL A 1 92  ? -6.13000  -0.09300  -48.29600 1.000 96.45428  ? 411 VAL A O    1 
ATOM   1370 C  CB   . VAL A 1 92  ? -5.66000  1.82800   -50.82700 1.000 115.76225 ? 411 VAL A CB   1 
ATOM   1371 C  CG1  . VAL A 1 92  ? -4.39200  2.50800   -50.32600 1.000 92.95398  ? 411 VAL A CG1  1 
ATOM   1372 C  CG2  . VAL A 1 92  ? -5.91300  2.16700   -52.29400 1.000 127.30344 ? 411 VAL A CG2  1 
ATOM   1373 H  H    . VAL A 1 92  ? -7.53900  0.15500   -50.87200 1.000 136.77135 ? 411 VAL A H    1 
ATOM   1374 H  HA   . VAL A 1 92  ? -4.87900  -0.02400  -51.17600 1.000 162.47527 ? 411 VAL A HA   1 
ATOM   1375 H  HB   . VAL A 1 92  ? -6.41100  2.16500   -50.31400 1.000 139.12801 ? 411 VAL A HB   1 
ATOM   1376 H  HG11 . VAL A 1 92  ? -4.45700  3.46400   -50.47600 1.000 111.75809 ? 411 VAL A HG11 1 
ATOM   1377 H  HG12 . VAL A 1 92  ? -4.28600  2.33600   -49.37700 1.000 111.75809 ? 411 VAL A HG12 1 
ATOM   1378 H  HG13 . VAL A 1 92  ? -3.62500  2.15700   -50.80600 1.000 111.75809 ? 411 VAL A HG13 1 
ATOM   1379 H  HG21 . VAL A 1 92  ? -5.95300  3.13000   -52.40200 1.000 152.97744 ? 411 VAL A HG21 1 
ATOM   1380 H  HG22 . VAL A 1 92  ? -5.19300  1.81100   -52.83700 1.000 152.97744 ? 411 VAL A HG22 1 
ATOM   1381 H  HG23 . VAL A 1 92  ? -6.75400  1.77600   -52.57600 1.000 152.97744 ? 411 VAL A HG23 1 
ATOM   1382 N  N    . PRO A 1 93  ? -3.97200  -0.32600  -48.86500 1.000 78.48028  ? 412 PRO A N    1 
ATOM   1383 C  CA   . PRO A 1 93  ? -3.54700  -0.55400  -47.47800 1.000 92.88279  ? 412 PRO A CA   1 
ATOM   1384 C  C    . PRO A 1 93  ? -3.80600  0.68200   -46.63500 1.000 74.14360  ? 412 PRO A C    1 
ATOM   1385 O  O    . PRO A 1 93  ? -3.30000  1.75700   -46.96000 1.000 87.43163  ? 412 PRO A O    1 
ATOM   1386 C  CB   . PRO A 1 93  ? -2.04500  -0.84000  -47.58400 1.000 85.43156  ? 412 PRO A CB   1 
ATOM   1387 C  CG   . PRO A 1 93  ? -1.82700  -1.22700  -49.03600 1.000 117.64850 ? 412 PRO A CG   1 
ATOM   1388 C  CD   . PRO A 1 93  ? -2.88500  -0.48600  -49.82400 1.000 81.54205  ? 412 PRO A CD   1 
ATOM   1389 H  HA   . PRO A 1 93  ? -4.02900  -1.28000  -47.05300 1.000 111.67266 ? 412 PRO A HA   1 
ATOM   1390 H  HB2  . PRO A 1 93  ? -1.52000  -0.06000  -47.34500 1.000 102.73119 ? 412 PRO A HB2  1 
ATOM   1391 H  HB3  . PRO A 1 93  ? -1.77900  -1.55500  -46.98500 1.000 102.73119 ? 412 PRO A HB3  1 
ATOM   1392 H  HG2  . PRO A 1 93  ? -0.93700  -0.98100  -49.33200 1.000 141.39151 ? 412 PRO A HG2  1 
ATOM   1393 H  HG3  . PRO A 1 93  ? -1.91100  -2.18600  -49.15700 1.000 141.39151 ? 412 PRO A HG3  1 
ATOM   1394 H  HD2  . PRO A 1 93  ? -2.56000  0.37100   -50.14200 1.000 98.06377  ? 412 PRO A HD2  1 
ATOM   1395 H  HD3  . PRO A 1 93  ? -3.16800  -0.98900  -50.60400 1.000 98.06377  ? 412 PRO A HD3  1 
ATOM   1396 N  N    . THR A 1 94  ? -4.67400  0.52300   -45.63100 1.000 74.21687  ? 413 THR A N    1 
ATOM   1397 C  CA   . THR A 1 94  ? -5.03100  1.62800   -44.76300 1.000 73.69394  ? 413 THR A CA   1 
ATOM   1398 C  C    . THR A 1 94  ? -4.70900  1.20100   -43.33300 1.000 67.05345  ? 413 THR A C    1 
ATOM   1399 O  O    . THR A 1 94  ? -5.04800  0.09100   -42.92100 1.000 64.25913  ? 413 THR A O    1 
ATOM   1400 C  CB   . THR A 1 94  ? -6.47700  2.04700   -45.03700 1.000 72.97593  ? 413 THR A CB   1 
ATOM   1401 O  OG1  . THR A 1 94  ? -6.58600  2.46800   -46.39900 1.000 103.09143 ? 413 THR A OG1  1 
ATOM   1402 C  CG2  . THR A 1 94  ? -6.93200  3.19700   -44.15300 1.000 107.59102 ? 413 THR A CG2  1 
ATOM   1403 H  H    . THR A 1 94  ? -5.06300  -0.22000  -45.44200 1.000 89.27355  ? 413 THR A H    1 
ATOM   1404 H  HA   . THR A 1 94  ? -4.51900  2.43500   -44.93000 1.000 88.64605  ? 413 THR A HA   1 
ATOM   1405 H  HB   . THR A 1 94  ? -7.03900  1.28000   -44.84700 1.000 87.78443  ? 413 THR A HB   1 
ATOM   1406 H  HG1  . THR A 1 94  ? -6.34800  1.84200   -46.90600 1.000 123.92303 ? 413 THR A HG1  1 
ATOM   1407 H  HG21 . THR A 1 94  ? -7.85100  3.42400   -44.36500 1.000 129.32254 ? 413 THR A HG21 1 
ATOM   1408 H  HG22 . THR A 1 94  ? -6.87100  2.93300   -43.22200 1.000 129.32254 ? 413 THR A HG22 1 
ATOM   1409 H  HG23 . THR A 1 94  ? -6.36500  3.96900   -44.30800 1.000 129.32254 ? 413 THR A HG23 1 
ATOM   1410 N  N    . LEU A 1 95  ? -4.02100  2.08600   -42.59900 1.000 67.28604  ? 414 LEU A N    1 
ATOM   1411 C  CA   . LEU A 1 95  ? -3.71200  1.85000   -41.19600 1.000 64.23241  ? 414 LEU A CA   1 
ATOM   1412 C  C    . LEU A 1 95  ? -4.93100  2.20800   -40.35800 1.000 62.96981  ? 414 LEU A C    1 
ATOM   1413 O  O    . LEU A 1 95  ? -5.52200  3.26300   -40.54200 1.000 66.95900  ? 414 LEU A O    1 
ATOM   1414 C  CB   . LEU A 1 95  ? -2.51500  2.68600   -40.72400 1.000 65.40640  ? 414 LEU A CB   1 
ATOM   1415 C  CG   . LEU A 1 95  ? -2.12400  2.47800   -39.22300 1.000 62.78311  ? 414 LEU A CG   1 
ATOM   1416 C  CD1  . LEU A 1 95  ? -1.40700  1.13500   -39.01600 1.000 60.37782  ? 414 LEU A CD1  1 
ATOM   1417 C  CD2  . LEU A 1 95  ? -1.27400  3.64000   -38.70200 1.000 65.32593  ? 414 LEU A CD2  1 
ATOM   1418 H  H    . LEU A 1 95  ? -3.72500  2.83300   -42.90500 1.000 79.67669  ? 414 LEU A H    1 
ATOM   1419 H  HA   . LEU A 1 95  ? -3.48000  0.91400   -41.09100 1.000 77.09223  ? 414 LEU A HA   1 
ATOM   1420 H  HB2  . LEU A 1 95  ? -1.74800  2.47200   -41.27800 1.000 77.42112  ? 414 LEU A HB2  1 
ATOM   1421 H  HB3  . LEU A 1 95  ? -2.71500  3.62400   -40.86600 1.000 77.42112  ? 414 LEU A HB3  1 
ATOM   1422 H  HG   . LEU A 1 95  ? -2.94600  2.45900   -38.70800 1.000 75.55305  ? 414 LEU A HG   1 
ATOM   1423 H  HD11 . LEU A 1 95  ? -1.17700  1.03200   -38.07900 1.000 71.38682  ? 414 LEU A HD11 1 
ATOM   1424 H  HD12 . LEU A 1 95  ? -1.99300  0.41000   -39.28600 1.000 71.38682  ? 414 LEU A HD12 1 
ATOM   1425 H  HD13 . LEU A 1 95  ? -0.59900  1.11400   -39.55200 1.000 71.38682  ? 414 LEU A HD13 1 
ATOM   1426 H  HD21 . LEU A 1 95  ? -1.04700  3.48400   -37.77200 1.000 78.60442  ? 414 LEU A HD21 1 
ATOM   1427 H  HD22 . LEU A 1 95  ? -0.46000  3.70600   -39.22600 1.000 78.60442  ? 414 LEU A HD22 1 
ATOM   1428 H  HD23 . LEU A 1 95  ? -1.77500  4.46700   -38.77800 1.000 78.60442  ? 414 LEU A HD23 1 
ATOM   1429 N  N    . LYS A 1 96  ? -5.31100  1.30800   -39.45100 1.000 59.66909  ? 415 LYS A N    1 
ATOM   1430 C  CA   . LYS A 1 96  ? -6.23700  1.66400   -38.39800 1.000 59.50469  ? 415 LYS A CA   1 
ATOM   1431 C  C    . LYS A 1 96  ? -5.40100  1.78300   -37.11200 1.000 56.90511  ? 415 LYS A C    1 
ATOM   1432 O  O    . LYS A 1 96  ? -4.95700  0.79400   -36.53700 1.000 54.51943  ? 415 LYS A O    1 
ATOM   1433 C  CB   . LYS A 1 96  ? -7.36600  0.62700   -38.39300 1.000 56.34587  ? 415 LYS A CB   1 
ATOM   1434 C  CG   . LYS A 1 96  ? -8.30300  0.73800   -37.23800 1.000 70.82359  ? 415 LYS A CG   1 
ATOM   1435 C  CD   . LYS A 1 96  ? -9.05200  1.99300   -37.23000 1.000 58.23191  ? 415 LYS A CD   1 
ATOM   1436 C  CE   . LYS A 1 96  ? -9.88800  2.05900   -36.00600 1.000 61.10859  ? 415 LYS A CE   1 
ATOM   1437 N  NZ   . LYS A 1 96  ? -10.49500 3.38300   -35.86100 1.000 76.85993  ? 415 LYS A NZ   1 
ATOM   1438 H  H    . LYS A 1 96  ? -5.04100  0.49200   -39.43400 1.000 70.53635  ? 415 LYS A H    1 
ATOM   1439 H  HA   . LYS A 1 96  ? -6.68700  2.51600   -38.51000 1.000 71.61893  ? 415 LYS A HA   1 
ATOM   1440 H  HB2  . LYS A 1 96  ? -7.87300  0.71400   -39.21500 1.000 66.54849  ? 415 LYS A HB2  1 
ATOM   1441 H  HB3  . LYS A 1 96  ? -6.97500  -0.26100  -38.39300 1.000 66.54849  ? 415 LYS A HB3  1 
ATOM   1442 H  HG2  . LYS A 1 96  ? -8.92600  -0.00500  -37.26100 1.000 85.20162  ? 415 LYS A HG2  1 
ATOM   1443 H  HG3  . LYS A 1 96  ? -7.80100  0.66100   -36.41200 1.000 85.20162  ? 415 LYS A HG3  1 
ATOM   1444 H  HD2  . LYS A 1 96  ? -8.44100  2.74600   -37.25800 1.000 70.09160  ? 415 LYS A HD2  1 
ATOM   1445 H  HD3  . LYS A 1 96  ? -9.61200  2.05200   -38.02000 1.000 70.09160  ? 415 LYS A HD3  1 
ATOM   1446 H  HE2  . LYS A 1 96  ? -10.58200 1.38300   -36.04700 1.000 73.54362  ? 415 LYS A HE2  1 
ATOM   1447 H  HE3  . LYS A 1 96  ? -9.34500  1.86100   -35.22700 1.000 73.54362  ? 415 LYS A HE3  1 
ATOM   1448 H  HZ1  . LYS A 1 96  ? -10.29900 3.71300   -35.05800 1.000 92.44523  ? 415 LYS A HZ1  1 
ATOM   1449 H  HZ2  . LYS A 1 96  ? -10.17700 3.92600   -36.49100 1.000 92.44523  ? 415 LYS A HZ2  1 
ATOM   1450 H  HZ3  . LYS A 1 96  ? -11.37800 3.31600   -35.94600 1.000 92.44523  ? 415 LYS A HZ3  1 
ATOM   1451 N  N    . TYR A 1 97  ? -5.13700  3.01500   -36.68800 1.000 58.75865  ? 416 TYR A N    1 
ATOM   1452 C  CA   . TYR A 1 97  ? -4.12100  3.26000   -35.68100 1.000 58.33560  ? 416 TYR A CA   1 
ATOM   1453 C  C    . TYR A 1 97  ? -4.56800  2.66700   -34.35200 1.000 58.81058  ? 416 TYR A C    1 
ATOM   1454 O  O    . TYR A 1 97  ? -3.88300  1.80800   -33.80900 1.000 55.77488  ? 416 TYR A O    1 
ATOM   1455 C  CB   . TYR A 1 97  ? -3.82100  4.75400   -35.54800 1.000 61.43250  ? 416 TYR A CB   1 
ATOM   1456 C  CG   . TYR A 1 97  ? -2.65800  5.05200   -34.63500 1.000 61.61814  ? 416 TYR A CG   1 
ATOM   1457 C  CD1  . TYR A 1 97  ? -1.41400  4.48200   -34.85600 1.000 61.31424  ? 416 TYR A CD1  1 
ATOM   1458 C  CD2  . TYR A 1 97  ? -2.80700  5.88500   -33.54500 1.000 62.38040  ? 416 TYR A CD2  1 
ATOM   1459 C  CE1  . TYR A 1 97  ? -0.34400  4.74500   -34.02000 1.000 61.97855  ? 416 TYR A CE1  1 
ATOM   1460 C  CE2  . TYR A 1 97  ? -1.74700  6.14800   -32.69500 1.000 69.75532  ? 416 TYR A CE2  1 
ATOM   1461 C  CZ   . TYR A 1 97  ? -0.51100  5.58000   -32.94300 1.000 62.56146  ? 416 TYR A CZ   1 
ATOM   1462 O  OH   . TYR A 1 97  ? 0.55200   5.83800   -32.14000 1.000 63.35937  ? 416 TYR A OH   1 
ATOM   1463 H  H    . TYR A 1 97  ? -5.53700  3.72100   -36.97300 1.000 69.44383  ? 416 TYR A H    1 
ATOM   1464 H  HA   . TYR A 1 97  ? -3.29700  2.82800   -35.95600 1.000 68.93617  ? 416 TYR A HA   1 
ATOM   1465 H  HB2  . TYR A 1 97  ? -3.63500  5.11900   -36.42700 1.000 72.65244  ? 416 TYR A HB2  1 
ATOM   1466 H  HB3  . TYR A 1 97  ? -4.61100  5.20700   -35.21300 1.000 72.65244  ? 416 TYR A HB3  1 
ATOM   1467 H  HD1  . TYR A 1 97  ? -1.29600  3.91100   -35.58100 1.000 72.93013  ? 416 TYR A HD1  1 
ATOM   1468 H  HD2  . TYR A 1 97  ? -3.63400  6.27600   -33.37900 1.000 73.78992  ? 416 TYR A HD2  1 
ATOM   1469 H  HE1  . TYR A 1 97  ? 0.48500   4.35800   -34.18700 1.000 74.58757  ? 416 TYR A HE1  1 
ATOM   1470 H  HE2  . TYR A 1 97  ? -1.86600  6.70500   -31.96000 1.000 83.91970  ? 416 TYR A HE2  1 
ATOM   1471 H  HH   . TYR A 1 97  ? 0.37300   6.48700   -31.63700 1.000 74.96468  ? 416 TYR A HH   1 
ATOM   1472 N  N    . HIS A 1 98  ? -5.76400  3.05400   -33.90400 1.000 55.39818  ? 417 HIS A N    1 
ATOM   1473 C  CA   . HIS A 1 98  ? -6.35400  2.47700   -32.71000 1.000 54.88408  ? 417 HIS A CA   1 
ATOM   1474 C  C    . HIS A 1 98  ? -7.55100  1.57300   -33.02000 1.000 51.24077  ? 417 HIS A C    1 
ATOM   1475 O  O    . HIS A 1 98  ? -8.69900  2.00600   -32.98100 1.000 51.86951  ? 417 HIS A O    1 
ATOM   1476 C  CB   . HIS A 1 98  ? -6.76600  3.57700   -31.67400 1.000 54.25500  ? 417 HIS A CB   1 
ATOM   1477 C  CG   . HIS A 1 98  ? -5.64800  4.43500   -31.14700 1.000 65.59593  ? 417 HIS A CG   1 
ATOM   1478 N  ND1  . HIS A 1 98  ? -4.47400  3.88700   -30.61900 1.000 54.99374  ? 417 HIS A ND1  1 
ATOM   1479 C  CD2  . HIS A 1 98  ? -5.55900  5.78400   -31.08500 1.000 59.11960  ? 417 HIS A CD2  1 
ATOM   1480 C  CE1  . HIS A 1 98  ? -3.73400  4.92500   -30.25800 1.000 57.40019  ? 417 HIS A CE1  1 
ATOM   1481 N  NE2  . HIS A 1 98  ? -4.34000  6.08600   -30.54800 1.000 60.26451  ? 417 HIS A NE2  1 
ATOM   1482 H  H    . HIS A 1 98  ? -6.24800  3.65400   -34.28500 1.000 65.41125  ? 417 HIS A H    1 
ATOM   1483 H  HA   . HIS A 1 98  ? -5.66200  1.92400   -32.31500 1.000 66.07421  ? 417 HIS A HA   1 
ATOM   1484 H  HB2  . HIS A 1 98  ? -7.42700  4.15500   -32.08700 1.000 64.03945  ? 417 HIS A HB2  1 
ATOM   1485 H  HB3  . HIS A 1 98  ? -7.19900  3.14300   -30.92200 1.000 64.03945  ? 417 HIS A HB3  1 
ATOM   1486 H  HD1  . HIS A 1 98  ? -4.27500  3.05400   -30.54500 1.000 64.92593  ? 417 HIS A HD1  1 
ATOM   1487 H  HD2  . HIS A 1 98  ? -6.20700  6.39200   -31.35700 1.000 69.87697  ? 417 HIS A HD2  1 
ATOM   1488 H  HE1  . HIS A 1 98  ? -2.89900  4.85700   -29.85400 1.000 67.81367  ? 417 HIS A HE1  1 
ATOM   1489 N  N    . TYR A 1 99  ? -7.27000  0.28400   -33.22600 1.000 49.20174  ? 418 TYR A N    1 
ATOM   1490 C  CA   . TYR A 1 99  ? -8.31300  -0.71600  -33.43600 1.000 47.57120  ? 418 TYR A CA   1 
ATOM   1491 C  C    . TYR A 1 99  ? -8.74300  -1.30600  -32.09600 1.000 52.04450  ? 418 TYR A C    1 
ATOM   1492 O  O    . TYR A 1 99  ? -8.07000  -2.19000  -31.56700 1.000 47.41597  ? 418 TYR A O    1 
ATOM   1493 C  CB   . TYR A 1 99  ? -7.81300  -1.80800  -34.39000 1.000 47.02399  ? 418 TYR A CB   1 
ATOM   1494 C  CG   . TYR A 1 99  ? -8.90900  -2.65000  -34.99400 1.000 47.97412  ? 418 TYR A CG   1 
ATOM   1495 C  CD1  . TYR A 1 99  ? -9.98400  -2.06500  -35.64700 1.000 66.47515  ? 418 TYR A CD1  1 
ATOM   1496 C  CD2  . TYR A 1 99  ? -8.85300  -4.03300  -34.95000 1.000 57.66037  ? 418 TYR A CD2  1 
ATOM   1497 C  CE1  . TYR A 1 99  ? -10.98800 -2.84000  -36.22500 1.000 61.26934  ? 418 TYR A CE1  1 
ATOM   1498 C  CE2  . TYR A 1 99  ? -9.85700  -4.81500  -35.49800 1.000 51.80806  ? 418 TYR A CE2  1 
ATOM   1499 C  CZ   . TYR A 1 99  ? -10.92600 -4.21700  -36.13900 1.000 74.44924  ? 418 TYR A CZ   1 
ATOM   1500 O  OH   . TYR A 1 99  ? -11.90900 -4.99300  -36.70100 1.000 65.90320  ? 418 TYR A OH   1 
ATOM   1501 H  H    . TYR A 1 99  ? -6.47000  -0.03200  -33.24700 1.000 57.97553  ? 418 TYR A H    1 
ATOM   1502 H  HA   . TYR A 1 99  ? -9.08600  -0.29500  -33.84300 1.000 56.01888  ? 418 TYR A HA   1 
ATOM   1503 H  HB2  . TYR A 1 99  ? -7.30700  -1.39200  -35.10500 1.000 55.36223  ? 418 TYR A HB2  1 
ATOM   1504 H  HB3  . TYR A 1 99  ? -7.20100  -2.38800  -33.91000 1.000 55.36223  ? 418 TYR A HB3  1 
ATOM   1505 H  HD1  . TYR A 1 99  ? -10.03600 -1.13800  -35.70000 1.000 79.98350  ? 418 TYR A HD1  1 
ATOM   1506 H  HD2  . TYR A 1 99  ? -8.12500  -4.44600  -34.54400 1.000 69.40575  ? 418 TYR A HD2  1 
ATOM   1507 H  HE1  . TYR A 1 99  ? -11.69700 -2.43100  -36.66700 1.000 73.73652  ? 418 TYR A HE1  1 
ATOM   1508 H  HE2  . TYR A 1 99  ? -9.81200  -5.74200  -35.43500 1.000 62.38299  ? 418 TYR A HE2  1 
ATOM   1509 H  HH   . TYR A 1 99  ? -11.58200 -5.72800  -36.94200 1.000 79.29715  ? 418 TYR A HH   1 
ATOM   1510 N  N    . GLU A 1 100 ? -9.88300  -0.81400  -31.58100 1.000 45.56955  ? 419 GLU A N    1 
ATOM   1511 C  CA   . GLU A 1 100 ? -10.22300 -0.94100  -30.18400 1.000 44.33356  ? 419 GLU A CA   1 
ATOM   1512 C  C    . GLU A 1 100 ? -10.67500 -2.34300  -29.80000 1.000 51.82904  ? 419 GLU A C    1 
ATOM   1513 O  O    . GLU A 1 100 ? -11.15100 -3.10700  -30.63200 1.000 49.62193  ? 419 GLU A O    1 
ATOM   1514 C  CB   . GLU A 1 100 ? -11.27800 0.08800   -29.81700 1.000 45.82652  ? 419 GLU A CB   1 
ATOM   1515 C  CG   . GLU A 1 100 ? -10.80500 1.53800   -29.96100 1.000 50.60962  ? 419 GLU A CG   1 
ATOM   1516 C  CD   . GLU A 1 100 ? -9.74600  2.04700   -28.97200 1.000 75.86185  ? 419 GLU A CD   1 
ATOM   1517 O  OE1  . GLU A 1 100 ? -9.53300  1.42600   -27.89900 1.000 72.41753  ? 419 GLU A OE1  1 
ATOM   1518 O  OE2  . GLU A 1 100 ? -9.14300  3.10700   -29.27200 1.000 75.37858  ? 419 GLU A OE2  1 
ATOM   1519 H  H    . GLU A 1 100 ? -10.47300 -0.39800  -32.04800 1.000 53.61690  ? 419 GLU A H    1 
ATOM   1520 H  HA   . GLU A 1 100 ? -9.41300  -0.77500  -29.67600 1.000 53.29654  ? 419 GLU A HA   1 
ATOM   1521 H  HB2  . GLU A 1 100 ? -12.05800 -0.04600  -30.37800 1.000 53.92527  ? 419 GLU A HB2  1 
ATOM   1522 H  HB3  . GLU A 1 100 ? -11.55900 -0.06200  -28.90100 1.000 53.92527  ? 419 GLU A HB3  1 
ATOM   1523 H  HG2  . GLU A 1 100 ? -10.45300 1.64900   -30.85800 1.000 60.94486  ? 419 GLU A HG2  1 
ATOM   1524 H  HG3  . GLU A 1 100 ? -11.58200 2.11400   -29.88800 1.000 60.94486  ? 419 GLU A HG3  1 
ATOM   1525 N  N    . GLY A 1 101 ? -10.47300 -2.65400  -28.51700 1.000 45.96714  ? 420 GLY A N    1 
ATOM   1526 C  CA   . GLY A 1 101 ? -11.09600 -3.77800  -27.85700 1.000 41.66462  ? 420 GLY A CA   1 
ATOM   1527 C  C    . GLY A 1 101 ? -10.40800 -5.08100  -28.21100 1.000 37.66387  ? 420 GLY A C    1 
ATOM   1528 O  O    . GLY A 1 101 ? -11.02000 -6.13800  -28.10100 1.000 42.97855  ? 420 GLY A O    1 
ATOM   1529 H  H    . GLY A 1 101 ? -9.95500  -2.19900  -28.00200 1.000 55.37388  ? 420 GLY A H    1 
ATOM   1530 H  HA2  . GLY A 1 101 ? -11.06800 -3.64700  -26.89600 1.000 50.21086  ? 420 GLY A HA2  1 
ATOM   1531 H  HA3  . GLY A 1 101 ? -12.03100 -3.82500  -28.11000 1.000 50.21086  ? 420 GLY A HA3  1 
ATOM   1532 N  N    . MET A 1 102 ? -9.13700  -4.99900  -28.62700 1.000 38.16547  ? 421 MET A N    1 
ATOM   1533 C  CA   . MET A 1 102 ? -8.45400  -6.15400  -29.18600 1.000 37.45283  ? 421 MET A CA   1 
ATOM   1534 C  C    . MET A 1 102 ? -7.59100  -6.95300  -28.20800 1.000 36.59952  ? 421 MET A C    1 
ATOM   1535 O  O    . MET A 1 102 ? -7.39000  -8.15700  -28.38300 1.000 40.48179  ? 421 MET A O    1 
ATOM   1536 C  CB   . MET A 1 102 ? -7.63000  -5.69700  -30.37700 1.000 47.68860  ? 421 MET A CB   1 
ATOM   1537 C  CG   . MET A 1 102 ? -8.50900  -5.42700  -31.59500 1.000 46.93766  ? 421 MET A CG   1 
ATOM   1538 S  SD   . MET A 1 102 ? -9.24200  -6.87000  -32.31600 1.000 45.48056  ? 421 MET A SD   1 
ATOM   1539 C  CE   . MET A 1 102 ? -7.92100  -7.59800  -33.14300 1.000 42.63397  ? 421 MET A CE   1 
ATOM   1540 H  H    . MET A 1 102 ? -8.66100  -4.28300  -28.59100 1.000 44.73201  ? 421 MET A H    1 
ATOM   1541 H  HA   . MET A 1 102 ? -9.14800  -6.77900  -29.44700 1.000 43.87684  ? 421 MET A HA   1 
ATOM   1542 H  HB2  . MET A 1 102 ? -7.14200  -4.89200  -30.14400 1.000 57.43963  ? 421 MET A HB2  1 
ATOM   1543 H  HB3  . MET A 1 102 ? -6.97200  -6.37500  -30.59600 1.000 57.43963  ? 421 MET A HB3  1 
ATOM   1544 H  HG2  . MET A 1 102 ? -9.21600  -4.81400  -31.33900 1.000 56.53851  ? 421 MET A HG2  1 
ATOM   1545 H  HG3  . MET A 1 102 ? -7.97600  -4.97900  -32.27000 1.000 56.53851  ? 421 MET A HG3  1 
ATOM   1546 H  HE1  . MET A 1 102 ? -8.22100  -8.41100  -33.58000 1.000 51.37408  ? 421 MET A HE1  1 
ATOM   1547 H  HE2  . MET A 1 102 ? -7.57600  -6.98200  -33.80800 1.000 51.37408  ? 421 MET A HE2  1 
ATOM   1548 H  HE3  . MET A 1 102 ? -7.22000  -7.81300  -32.50800 1.000 51.37408  ? 421 MET A HE3  1 
ATOM   1549 N  N    . SER A 1 103 ? -7.07700  -6.30400  -27.17500 1.000 42.74995  ? 422 SER A N    1 
ATOM   1550 C  CA   . SER A 1 103 ? -6.16100  -6.97000  -26.26600 1.000 38.81198  ? 422 SER A CA   1 
ATOM   1551 C  C    . SER A 1 103 ? -6.57400  -6.77100  -24.80700 1.000 41.36365  ? 422 SER A C    1 
ATOM   1552 O  O    . SER A 1 103 ? -7.03000  -5.69000  -24.42100 1.000 41.26164  ? 422 SER A O    1 
ATOM   1553 C  CB   . SER A 1 103 ? -4.75600  -6.44400  -26.60100 1.000 61.54076  ? 422 SER A CB   1 
ATOM   1554 O  OG   . SER A 1 103 ? -3.79800  -7.14600  -25.83500 1.000 69.54678  ? 422 SER A OG   1 
ATOM   1555 H  H    . SER A 1 103 ? -7.24400  -5.48300  -26.98300 1.000 51.51325  ? 422 SER A H    1 
ATOM   1556 H  HA   . SER A 1 103 ? -6.17500  -7.93300  -26.38000 1.000 46.78769  ? 422 SER A HA   1 
ATOM   1557 H  HB2  . SER A 1 103 ? -4.57400  -6.55700  -27.54700 1.000 74.06223  ? 422 SER A HB2  1 
ATOM   1558 H  HB3  . SER A 1 103 ? -4.70200  -5.49400  -26.41300 1.000 74.06223  ? 422 SER A HB3  1 
ATOM   1559 H  HG   . SER A 1 103 ? -4.18400  -7.72800  -25.36800 1.000 83.66944  ? 422 SER A HG   1 
ATOM   1560 N  N    . VAL A 1 104 ? -6.37100  -7.79400  -23.98800 1.000 35.98396  ? 423 VAL A N    1 
ATOM   1561 C  CA   . VAL A 1 104 ? -6.83100  -7.72000  -22.57500 1.000 36.08117  ? 423 VAL A CA   1 
ATOM   1562 C  C    . VAL A 1 104 ? -5.90500  -6.84300  -21.73400 1.000 37.62625  ? 423 VAL A C    1 
ATOM   1563 O  O    . VAL A 1 104 ? -4.70400  -7.10500  -21.70500 1.000 47.93029  ? 423 VAL A O    1 
ATOM   1564 C  CB   . VAL A 1 104 ? -6.99800  -9.11200  -21.94300 1.000 38.78960  ? 423 VAL A CB   1 
ATOM   1565 C  CG1  . VAL A 1 104 ? -7.41600  -9.02000  -20.48600 1.000 44.14530  ? 423 VAL A CG1  1 
ATOM   1566 C  CG2  . VAL A 1 104 ? -7.96500  -9.97900  -22.72800 1.000 43.10530  ? 423 VAL A CG2  1 
ATOM   1567 H  H    . VAL A 1 104 ? -5.98100  -8.52800  -24.20800 1.000 42.11419  ? 423 VAL A H    1 
ATOM   1568 H  HA   . VAL A 1 104 ? -7.70800  -7.30600  -22.58800 1.000 42.23084  ? 423 VAL A HA   1 
ATOM   1569 H  HB   . VAL A 1 104 ? -6.12800  -9.53900  -21.97700 1.000 46.76084  ? 423 VAL A HB   1 
ATOM   1570 H  HG11 . VAL A 1 104 ? -7.51200  -9.91300  -20.12000 1.000 53.18767  ? 423 VAL A HG11 1 
ATOM   1571 H  HG12 . VAL A 1 104 ? -6.74000  -8.53600  -19.98500 1.000 53.18767  ? 423 VAL A HG12 1 
ATOM   1572 H  HG13 . VAL A 1 104 ? -8.26300  -8.55200  -20.42100 1.000 53.18767  ? 423 VAL A HG13 1 
ATOM   1573 H  HG21 . VAL A 1 104 ? -8.04400  -10.84600 -22.30000 1.000 51.93967  ? 423 VAL A HG21 1 
ATOM   1574 H  HG22 . VAL A 1 104 ? -8.83500  -9.55200  -22.75400 1.000 51.93967  ? 423 VAL A HG22 1 
ATOM   1575 H  HG23 . VAL A 1 104 ? -7.63500  -10.09500 -23.63300 1.000 51.93967  ? 423 VAL A HG23 1 
ATOM   1576 N  N    . ALA A 1 105 ? -6.46600  -5.82300  -21.11000 1.000 40.74111  ? 424 ALA A N    1 
ATOM   1577 C  CA   . ALA A 1 105 ? -5.71800  -4.99800  -20.18000 1.000 40.32354  ? 424 ALA A CA   1 
ATOM   1578 C  C    . ALA A 1 105 ? -5.93700  -5.46300  -18.73100 1.000 55.86400  ? 424 ALA A C    1 
ATOM   1579 O  O    . ALA A 1 105 ? -5.00900  -5.50200  -17.96400 1.000 41.96500  ? 424 ALA A O    1 
ATOM   1580 C  CB   . ALA A 1 105 ? -6.09700  -3.53500  -20.33300 1.000 50.63827  ? 424 ALA A CB   1 
ATOM   1581 H  H    . ALA A 1 105 ? -7.28700  -5.58900  -21.21200 1.000 49.10265  ? 424 ALA A H    1 
ATOM   1582 H  HA   . ALA A 1 105 ? -4.77600  -5.09400  -20.38800 1.000 48.45657  ? 424 ALA A HA   1 
ATOM   1583 H  HB1  . ALA A 1 105 ? -5.58700  -3.00100  -19.70400 1.000 60.97924  ? 424 ALA A HB1  1 
ATOM   1584 H  HB2  . ALA A 1 105 ? -5.90200  -3.24300  -21.23700 1.000 60.97924  ? 424 ALA A HB2  1 
ATOM   1585 H  HB3  . ALA A 1 105 ? -7.04400  -3.42600  -20.15600 1.000 60.97924  ? 424 ALA A HB3  1 
ATOM   1586 N  N    . GLU A 1 106 ? -7.15600  -5.86100  -18.36100 1.000 39.85576  ? 425 GLU A N    1 
ATOM   1587 C  CA   . GLU A 1 106 ? -7.44500  -6.32500  -17.01900 1.000 40.43019  ? 425 GLU A CA   1 
ATOM   1588 C  C    . GLU A 1 106 ? -8.53600  -7.37700  -17.06900 1.000 39.55898  ? 425 GLU A C    1 
ATOM   1589 O  O    . GLU A 1 106 ? -9.38600  -7.32300  -17.96300 1.000 39.63676  ? 425 GLU A O    1 
ATOM   1590 C  CB   . GLU A 1 106 ? -7.98500  -5.21600  -16.14700 1.000 46.60459  ? 425 GLU A CB   1 
ATOM   1591 C  CG   . GLU A 1 106 ? -6.95900  -4.25000  -15.65700 1.000 71.39542  ? 425 GLU A CG   1 
ATOM   1592 C  CD   . GLU A 1 106 ? -7.63800  -3.11000  -14.95200 1.000 120.10940 ? 425 GLU A CD   1 
ATOM   1593 O  OE1  . GLU A 1 106 ? -8.67700  -3.36800  -14.29500 1.000 82.58134  ? 425 GLU A OE1  1 
ATOM   1594 O  OE2  . GLU A 1 106 ? -7.13800  -1.96500  -15.06200 1.000 75.75309  ? 425 GLU A OE2  1 
ATOM   1595 H  H    . GLU A 1 106 ? -7.83500  -5.86700  -18.88800 1.000 46.76036  ? 425 GLU A H    1 
ATOM   1596 H  HA   . GLU A 1 106 ? -6.61300  -6.66700  -16.65700 1.000 47.44966  ? 425 GLU A HA   1 
ATOM   1597 H  HB2  . GLU A 1 106 ? -8.65800  -4.72800  -16.64600 1.000 56.13882  ? 425 GLU A HB2  1 
ATOM   1598 H  HB3  . GLU A 1 106 ? -8.43100  -5.61100  -15.38100 1.000 56.13882  ? 425 GLU A HB3  1 
ATOM   1599 H  HG2  . GLU A 1 106 ? -6.34400  -4.69500  -15.05400 1.000 85.88781  ? 425 GLU A HG2  1 
ATOM   1600 H  HG3  . GLU A 1 106 ? -6.43400  -3.91600  -16.40100 1.000 85.88781  ? 425 GLU A HG3  1 
ATOM   1601 N  N    . CYS A 1 107 ? -8.47600  -8.29800  -16.10300 1.000 39.12191  ? 426 CYS A N    1 
ATOM   1602 C  CA   . CYS A 1 107 ? -9.43500  -9.36500  -15.87800 1.000 41.81490  ? 426 CYS A CA   1 
ATOM   1603 C  C    . CYS A 1 107 ? -10.18000 -9.20400  -14.55600 1.000 39.42371  ? 426 CYS A C    1 
ATOM   1604 O  O    . CYS A 1 107 ? -9.59500  -8.83400  -13.57400 1.000 41.19032  ? 426 CYS A O    1 
ATOM   1605 C  CB   . CYS A 1 107 ? -8.70500  -10.69000 -15.86200 1.000 45.49193  ? 426 CYS A CB   1 
ATOM   1606 S  SG   . CYS A 1 107 ? -7.84100  -11.08800 -17.38000 1.000 47.99217  ? 426 CYS A SG   1 
ATOM   1607 H  H    . CYS A 1 107 ? -7.83400  -8.31100  -15.53100 1.000 46.80973  ? 426 CYS A H    1 
ATOM   1608 H  HA   . CYS A 1 107 ? -10.08600 -9.33000  -16.59600 1.000 50.39120  ? 426 CYS A HA   1 
ATOM   1609 H  HB2  . CYS A 1 107 ? -8.06600  -10.68400 -15.13200 1.000 54.80363  ? 426 CYS A HB2  1 
ATOM   1610 H  HB3  . CYS A 1 107 ? -9.34400  -11.39500 -15.67400 1.000 54.80363  ? 426 CYS A HB3  1 
ATOM   1611 N  N    . GLY A 1 108 ? -11.44400 -9.59300  -14.50300 1.000 39.83943  ? 427 GLY A N    1 
ATOM   1612 C  CA   . GLY A 1 108 ? -12.12800 -9.74300  -13.24100 1.000 40.04127  ? 427 GLY A CA   1 
ATOM   1613 C  C    . GLY A 1 108 ? -13.34100 -10.65700 -13.32900 1.000 52.57945  ? 427 GLY A C    1 
ATOM   1614 O  O    . GLY A 1 108 ? -13.71100 -11.10900 -14.41200 1.000 43.10395  ? 427 GLY A O    1 
ATOM   1615 H  H    . GLY A 1 108 ? -11.92300 -9.77500  -15.19400 1.000 48.02063  ? 427 GLY A H    1 
ATOM   1616 H  HA2  . GLY A 1 108 ? -11.50900 -10.09700 -12.58300 1.000 46.98296  ? 427 GLY A HA2  1 
ATOM   1617 H  HA3  . GLY A 1 108 ? -12.40900 -8.87000  -12.92500 1.000 46.98296  ? 427 GLY A HA3  1 
ATOM   1618 N  N    . CYS A 1 109 ? -13.90500 -10.94900 -12.15300 1.000 40.43378  ? 428 CYS A N    1 
ATOM   1619 C  CA   . CYS A 1 109 ? -15.01800 -11.87100 -11.97700 1.000 40.09838  ? 428 CYS A CA   1 
ATOM   1620 C  C    . CYS A 1 109 ? -16.30600 -11.05800 -12.13600 1.000 40.18563  ? 428 CYS A C    1 
ATOM   1621 O  O    . CYS A 1 109 ? -16.45100 -9.99400  -11.52100 1.000 41.70315  ? 428 CYS A O    1 
ATOM   1622 C  CB   . CYS A 1 109 ? -14.94800 -12.57700 -10.62500 1.000 41.89037  ? 428 CYS A CB   1 
ATOM   1623 S  SG   . CYS A 1 109 ? -13.60800 -13.79500 -10.57200 1.000 55.08191  ? 428 CYS A SG   1 
ATOM   1624 H  H    . CYS A 1 109 ? -13.63700 -10.60100 -11.41400 1.000 47.45398  ? 428 CYS A H    1 
ATOM   1625 H  HA   . CYS A 1 109 ? -14.98700 -12.57700 -12.64200 1.000 47.05150  ? 428 CYS A HA   1 
ATOM   1626 H  HB2  . CYS A 1 109 ? -14.81600 -11.92000 -9.92300  1.000 49.20188  ? 428 CYS A HB2  1 
ATOM   1627 H  HB3  . CYS A 1 109 ? -15.79300 -13.01800 -10.44600 1.000 49.20188  ? 428 CYS A HB3  1 
ATOM   1628 N  N    . ARG A 1 110 ? -17.16900 -11.52900 -13.05300 1.000 38.77100  ? 429 ARG A N    1 
ATOM   1629 C  CA   . ARG A 1 110 ? -18.40200 -10.85500 -13.42900 1.000 38.84129  ? 429 ARG A CA   1 
ATOM   1630 C  C    . ARG A 1 110 ? -19.61300 -11.82500 -13.51400 1.000 38.52971  ? 429 ARG A C    1 
ATOM   1631 O  O    . ARG A 1 110 ? -20.73900 -11.38300 -13.24600 1.000 39.45248  ? 429 ARG A O    1 
ATOM   1632 C  CB   . ARG A 1 110 ? -18.18900 -10.17200 -14.75600 1.000 37.72081  ? 429 ARG A CB   1 
ATOM   1633 C  CG   . ARG A 1 110 ? -17.24000 -8.94800  -14.73200 1.000 38.45122  ? 429 ARG A CG   1 
ATOM   1634 C  CD   . ARG A 1 110 ? -17.67900 -7.88000  -13.82100 1.000 44.41260  ? 429 ARG A CD   1 
ATOM   1635 N  NE   . ARG A 1 110 ? -16.72800 -6.77700  -13.78400 1.000 42.03158  ? 429 ARG A NE   1 
ATOM   1636 C  CZ   . ARG A 1 110 ? -15.79400 -6.59300  -12.85700 1.000 42.76032  ? 429 ARG A CZ   1 
ATOM   1637 N  NH1  . ARG A 1 110 ? -15.42800 -7.55300  -12.02300 1.000 43.64032  ? 429 ARG A NH1  1 
ATOM   1638 N  NH2  . ARG A 1 110 ? -15.14600 -5.44200  -12.83200 1.000 47.17343  ? 429 ARG A NH2  1 
ATOM   1639 O  OXT  . ARG A 1 110 ? -19.45600 -13.04100 -13.83600 1.000 42.34543  ? 429 ARG A OXT  1 
ATOM   1640 H  H    . ARG A 1 110 ? -17.04100 -12.26600 -13.47700 1.000 45.45864  ? 429 ARG A H    1 
ATOM   1641 H  HA   . ARG A 1 110 ? -18.61600 -10.20800 -12.73900 1.000 45.54299  ? 429 ARG A HA   1 
ATOM   1642 H  HB2  . ARG A 1 110 ? -17.83700 -10.82200 -15.38400 1.000 44.19841  ? 429 ARG A HB2  1 
ATOM   1643 H  HB3  . ARG A 1 110 ? -19.05100 -9.88600  -15.09700 1.000 44.19841  ? 429 ARG A HB3  1 
ATOM   1644 H  HG2  . ARG A 1 110 ? -16.35300 -9.24100  -14.47100 1.000 45.07490  ? 429 ARG A HG2  1 
ATOM   1645 H  HG3  . ARG A 1 110 ? -17.16700 -8.58700  -15.62900 1.000 45.07490  ? 429 ARG A HG3  1 
ATOM   1646 H  HD2  . ARG A 1 110 ? -18.54600 -7.55000  -14.10300 1.000 53.50843  ? 429 ARG A HD2  1 
ATOM   1647 H  HD3  . ARG A 1 110 ? -17.79000 -8.24200  -12.92800 1.000 53.50843  ? 429 ARG A HD3  1 
ATOM   1648 H  HE   . ARG A 1 110 ? -16.77500 -6.19600  -14.41600 1.000 50.65120  ? 429 ARG A HE   1 
ATOM   1649 H  HH11 . ARG A 1 110 ? -15.79800 -8.32800  -12.07000 1.000 52.58170  ? 429 ARG A HH11 1 
ATOM   1650 H  HH12 . ARG A 1 110 ? -14.82000 -7.40200  -11.43400 1.000 52.58170  ? 429 ARG A HH12 1 
ATOM   1651 H  HH21 . ARG A 1 110 ? -15.33200 -4.83100  -13.40800 1.000 56.82143  ? 429 ARG A HH21 1 
ATOM   1652 H  HH22 . ARG A 1 110 ? -14.53800 -5.30400  -12.24000 1.000 56.82143  ? 429 ARG A HH22 1 
HETATM 1653 C  C1   . GOL B 2 .   ? -0.65300  2.48200   -31.47500 1.000 46.01506  ? 501 GOL A C1   1 
HETATM 1654 O  O1   . GOL B 2 .   ? 0.19700   1.61300   -32.22500 1.000 46.01661  ? 501 GOL A O1   1 
HETATM 1655 C  C2   . GOL B 2 .   ? -1.18300  1.78900   -30.23400 1.000 47.00576  ? 501 GOL A C2   1 
HETATM 1656 O  O2   . GOL B 2 .   ? -1.75500  2.79200   -29.40600 1.000 46.97544  ? 501 GOL A O2   1 
HETATM 1657 C  C3   . GOL B 2 .   ? -2.23900  0.73100   -30.52200 1.000 46.59355  ? 501 GOL A C3   1 
HETATM 1658 O  O3   . GOL B 2 .   ? -3.47100  1.33600   -30.93600 1.000 47.52680  ? 501 GOL A O3   1 
HETATM 1659 H  H11  . GOL B 2 .   ? -1.39500  2.77200   -32.02900 1.000 55.43138  ? 501 GOL A H11  1 
HETATM 1660 H  H12  . GOL B 2 .   ? -0.16200  3.27900   -31.22000 1.000 55.43138  ? 501 GOL A H12  1 
HETATM 1661 H  HO1  . GOL B 2 .   ? 0.31500   1.93100   -32.99400 1.000 55.43324  ? 501 GOL A HO1  1 
HETATM 1662 H  H2   . GOL B 2 .   ? -0.44200  1.32500   -29.81300 1.000 56.62023  ? 501 GOL A H2   1 
HETATM 1663 H  HO2  . GOL B 2 .   ? -2.57100  2.63000   -29.29300 1.000 56.58384  ? 501 GOL A HO2  1 
HETATM 1664 H  H31  . GOL B 2 .   ? -2.38900  0.19400   -29.72800 1.000 56.12557  ? 501 GOL A H31  1 
HETATM 1665 H  H32  . GOL B 2 .   ? -1.92000  0.13100   -31.21400 1.000 56.12557  ? 501 GOL A H32  1 
HETATM 1666 H  HO3  . GOL B 2 .   ? -4.07300  0.75100   -30.97200 1.000 57.24547  ? 501 GOL A HO3  1 
HETATM 1667 C  C1   . GOL C 2 .   ? -13.85400 -15.14700 -20.86300 1.000 69.64374  ? 502 GOL A C1   1 
HETATM 1668 O  O1   . GOL C 2 .   ? -13.60700 -14.40000 -22.01300 1.000 69.68060  ? 502 GOL A O1   1 
HETATM 1669 C  C2   . GOL C 2 .   ? -13.11400 -16.49300 -21.03500 1.000 69.38789  ? 502 GOL A C2   1 
HETATM 1670 O  O2   . GOL C 2 .   ? -11.73900 -16.32300 -21.10200 1.000 69.24316  ? 502 GOL A O2   1 
HETATM 1671 C  C3   . GOL C 2 .   ? -13.54100 -17.34400 -19.81700 1.000 71.05185  ? 502 GOL A C3   1 
HETATM 1672 O  O3   . GOL C 2 .   ? -12.83000 -16.85900 -18.72100 1.000 71.84609  ? 502 GOL A O3   1 
HETATM 1673 H  H11  . GOL C 2 .   ? -14.80600 -15.29100 -20.74400 1.000 83.78581  ? 502 GOL A H11  1 
HETATM 1674 H  H12  . GOL C 2 .   ? -13.53700 -14.67900 -20.07500 1.000 83.78581  ? 502 GOL A H12  1 
HETATM 1675 H  HO1  . GOL C 2 .   ? -12.93700 -14.71200 -22.41200 1.000 83.83003  ? 502 GOL A HO1  1 
HETATM 1676 H  H2   . GOL C 2 .   ? -13.34600 -16.92800 -21.87000 1.000 83.47878  ? 502 GOL A H2   1 
HETATM 1677 H  HO2  . GOL C 2 .   ? -11.43600 -16.18100 -20.33100 1.000 83.30510  ? 502 GOL A HO2  1 
HETATM 1678 H  H31  . GOL C 2 .   ? -13.34500 -18.28200 -19.96700 1.000 85.47553  ? 502 GOL A H31  1 
HETATM 1679 H  H32  . GOL C 2 .   ? -14.49700 -17.27400 -19.66600 1.000 85.47553  ? 502 GOL A H32  1 
HETATM 1680 H  HO3  . GOL C 2 .   ? -13.17900 -16.14300 -18.45500 1.000 86.42862  ? 502 GOL A HO3  1 
HETATM 1681 CL CL   . CL  D 3 .   ? -7.75000  4.93900   -34.99900 0.870 74.40963  ? 503 CL  A CL   1 
HETATM 1682 CL CL   . CL  E 3 .   ? -12.18400 0.44200   -33.62200 0.830 56.34029  ? 504 CL  A CL   1 
HETATM 1683 CL CL   . CL  F 3 .   ? -15.04500 -3.77400  -21.82200 1.000 81.24255  ? 505 CL  A CL   1 
HETATM 1684 CL CL   . CL  G 3 .   ? -20.64100 -3.83400  -7.75300  0.820 46.31910  ? 506 CL  A CL   1 
HETATM 1685 CL CL   . CL  H 3 .   ? -13.60700 -13.60700 0.00000   0.450 71.11256  ? 507 CL  A CL   1 
HETATM 1686 CL CL   . CL  I 3 .   ? -16.54100 -3.21500  -9.51400  1.000 93.45987  ? 508 CL  A CL   1 
HETATM 1687 CL CL   . CL  J 3 .   ? -19.61200 -27.14500 -7.37600  1.000 96.57452  ? 509 CL  A CL   1 
HETATM 1688 CL CL   . CL  K 3 .   ? -6.87500  -20.17500 -1.51000  1.000 110.82450 ? 510 CL  A CL   1 
HETATM 1689 CL CL   . CL  L 3 .   ? -0.38100  6.92800   -29.58700 0.860 67.38625  ? 511 CL  A CL   1 
HETATM 1690 NA NA   . NA  M 4 .   ? -14.49200 -6.56800  -21.81300 0.630 46.86825  1 512 NA  A NA   1 
HETATM 1691 NA NA   . NA  N 4 .   ? -8.80500  2.05200   -23.91400 1.000 84.58200  1 513 NA  A NA   1 
HETATM 1692 NA NA   . NA  O 4 .   ? -14.34700 -18.67200 -15.34400 1.000 66.73588  1 514 NA  A NA   1 
HETATM 1693 NA NA   . NA  P 4 .   ? -28.49800 -28.09100 -6.72700  1.000 61.90660  1 515 NA  A NA   1 
HETATM 1694 NA NA   . NA  Q 4 .   ? 0.51000   5.08800   -27.30700 0.670 66.22170  1 516 NA  A NA   1 
HETATM 1695 O  O    . HOH R 5 .   ? -3.03400  -19.05000 -9.33900  1.000 69.26823  ? 601 HOH A O    1 
HETATM 1696 O  O    . HOH R 5 .   ? -11.10000 -3.52400  -13.59400 1.000 74.05535  ? 602 HOH A O    1 
HETATM 1697 O  O    . HOH R 5 .   ? -9.55700  -0.78400  -26.66800 1.000 46.72389  ? 603 HOH A O    1 
HETATM 1698 O  O    . HOH R 5 .   ? -10.76100 -14.04000 -21.85500 1.000 37.62557  ? 604 HOH A O    1 
HETATM 1699 O  O    . HOH R 5 .   ? -7.69500  4.58800   -27.70700 1.000 61.48814  ? 605 HOH A O    1 
HETATM 1700 O  O    . HOH R 5 .   ? -22.68700 -12.60600 -11.99100 1.000 39.24343  ? 606 HOH A O    1 
HETATM 1701 O  O    . HOH R 5 .   ? -21.27100 -8.78300  -12.71600 1.000 37.73241  ? 607 HOH A O    1 
HETATM 1702 O  O    . HOH R 5 .   ? -20.16000 -1.37300  -5.49100  0.990 75.42320  ? 608 HOH A O    1 
HETATM 1703 O  O    . HOH R 5 .   ? -0.41300  -21.00100 -40.58300 1.000 82.58059  ? 609 HOH A O    1 
HETATM 1704 O  O    . HOH R 5 .   ? -16.20900 -3.31900  -14.50100 1.000 57.98154  ? 610 HOH A O    1 
HETATM 1705 O  O    . HOH R 5 .   ? -16.70400 -20.54000 -4.06800  0.560 34.96323  ? 611 HOH A O    1 
HETATM 1706 O  O    . HOH R 5 .   ? -3.23500  -19.52500 -30.84500 0.590 36.52519  ? 612 HOH A O    1 
HETATM 1707 O  O    . HOH R 5 .   ? -30.16800 -25.21100 3.39300   1.000 79.10073  ? 613 HOH A O    1 
HETATM 1708 O  O    . HOH R 5 .   ? -15.41400 -21.68600 -3.12500  0.440 31.97251  ? 614 HOH A O    1 
HETATM 1709 O  O    . HOH R 5 .   ? -11.72200 -15.38100 -44.94000 0.500 46.61092  ? 615 HOH A O    1 
HETATM 1710 O  O    . HOH R 5 .   ? -15.25400 -19.51600 -13.09100 0.990 63.98322  ? 616 HOH A O    1 
HETATM 1711 O  O    . HOH R 5 .   ? -19.98200 -23.03200 -12.73200 0.610 50.90975  ? 617 HOH A O    1 
HETATM 1712 O  O    . HOH R 5 .   ? -2.55600  8.59800   -29.92600 0.990 61.28284  ? 618 HOH A O    1 
HETATM 1713 O  O    . HOH R 5 .   ? -20.13500 -20.55200 -15.45800 1.000 85.13177  ? 619 HOH A O    1 
HETATM 1714 O  O    . HOH R 5 .   ? -11.03300 -14.98700 -8.08700  1.000 61.68138  ? 620 HOH A O    1 
HETATM 1715 O  O    . HOH R 5 .   ? -12.35200 -1.27200  -22.17300 1.000 57.27050  ? 621 HOH A O    1 
HETATM 1716 O  O    . HOH R 5 .   ? -2.33500  1.75200   -26.41700 0.500 38.45635  ? 622 HOH A O    1 
HETATM 1717 O  O    . HOH R 5 .   ? -11.86300 -19.27500 -16.81000 1.000 72.29520  ? 623 HOH A O    1 
HETATM 1718 O  O    . HOH R 5 .   ? 1.18400   -16.12400 -19.24400 1.000 68.88488  ? 624 HOH A O    1 
HETATM 1719 O  O    . HOH R 5 .   ? -4.00900  -18.60700 -33.23400 0.990 58.21934  ? 625 HOH A O    1 
HETATM 1720 O  O    . HOH R 5 .   ? -10.01500 -19.10400 -21.24200 1.000 72.87932  ? 626 HOH A O    1 
HETATM 1721 O  O    . HOH R 5 .   ? -5.88300  -8.55000  -14.10300 1.000 56.65570  ? 627 HOH A O    1 
HETATM 1722 O  O    . HOH R 5 .   ? -3.84800  -10.16200 -13.91100 0.990 66.07471  ? 628 HOH A O    1 
HETATM 1723 O  O    . HOH R 5 .   ? -6.74000  5.59400   -37.97800 1.000 61.46059  ? 629 HOH A O    1 
HETATM 1724 O  O    . HOH R 5 .   ? -4.63400  -15.03800 -8.89100  1.000 70.40530  ? 630 HOH A O    1 
HETATM 1725 O  O    . HOH R 5 .   ? -3.41700  5.19900   -43.79900 0.990 63.08485  ? 631 HOH A O    1 
HETATM 1726 O  O    . HOH R 5 .   ? -24.33400 -25.32100 -13.88200 0.990 76.36560  ? 632 HOH A O    1 
HETATM 1727 O  O    . HOH R 5 .   ? -2.19800  -12.15700 -43.76700 1.000 69.20621  ? 633 HOH A O    1 
HETATM 1728 O  O    . HOH R 5 .   ? -5.27300  -19.39400 -13.42400 1.000 71.25946  ? 634 HOH A O    1 
HETATM 1729 O  O    . HOH R 5 .   ? -0.44000  -18.82500 -26.85000 1.000 59.02197  ? 635 HOH A O    1 
HETATM 1730 O  O    . HOH R 5 .   ? -4.03200  9.48600   -31.45600 0.990 81.78688  ? 636 HOH A O    1 
HETATM 1731 O  O    . HOH R 5 .   ? -2.41000  -4.35600  -22.60100 1.000 73.66327  ? 637 HOH A O    1 
HETATM 1732 O  O    . HOH R 5 .   ? -0.33400  -19.27000 -32.66400 0.990 74.24277  ? 638 HOH A O    1 
HETATM 1733 O  O    . HOH R 5 .   ? -17.16000 -6.44400  -18.35600 0.500 51.40968  ? 639 HOH A O    1 
HETATM 1734 O  O    . HOH R 5 .   ? 1.58800   -8.45800  -18.76100 1.000 69.89663  ? 640 HOH A O    1 
HETATM 1735 O  O    . HOH R 5 .   ? -6.74500  -17.38300 -2.33900  1.000 69.16375  ? 641 HOH A O    1 
HETATM 1736 O  O    . HOH R 5 .   ? -26.19900 -24.70900 -15.00500 1.000 75.50598  ? 642 HOH A O    1 
HETATM 1737 O  O    . HOH R 5 .   ? -1.36500  -0.18800  -26.27400 0.500 65.01485  ? 643 HOH A O    1 
HETATM 1738 O  O    . HOH R 5 .   ? -4.45300  -0.50200  -17.60400 0.990 71.58340  ? 644 HOH A O    1 
HETATM 1739 O  O    . HOH R 5 .   ? -9.32000  5.00600   -40.53100 1.000 71.90402  ? 645 HOH A O    1 
HETATM 1740 O  O    . HOH R 5 .   ? 3.64400   -12.03100 -22.32400 1.000 71.58440  ? 646 HOH A O    1 
HETATM 1741 O  O    . HOH R 5 .   ? -13.42100 -4.54500  -6.04700  0.990 86.68490  ? 647 HOH A O    1 
HETATM 1742 O  O    . HOH R 5 .   ? 1.13500   -12.36300 -18.80000 1.000 66.81852  ? 648 HOH A O    1 
HETATM 1743 O  O    . HOH R 5 .   ? -12.53500 -1.74700  -14.30000 0.990 64.86293  ? 649 HOH A O    1 
HETATM 1744 O  O    . HOH R 5 .   ? 1.67200   3.67900   -26.90900 0.330 37.19979  ? 650 HOH A O    1 
HETATM 1745 O  O    . HOH R 5 .   ? -13.40500 -0.99900  -25.59500 0.990 67.44910  ? 651 HOH A O    1 
HETATM 1746 O  O    . HOH R 5 .   ? -2.59900  -21.18100 -29.51700 0.410 29.71892  ? 652 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   ? 1.87697 2.15119 0.96032 0.60524  -0.07392 0.53040  324 GLY A N    
2    C  CA   . GLY A 5   ? 1.82262 1.97633 0.88307 0.53254  -0.03964 0.46051  324 GLY A CA   
3    C  C    . GLY A 5   ? 1.61416 1.76781 0.83665 0.49804  -0.03185 0.40605  324 GLY A C    
4    O  O    . GLY A 5   ? 1.53617 1.84921 0.84550 0.49807  -0.09163 0.39791  324 GLY A O    
5    H  HA2  . GLY A 5   ? 1.87551 1.87551 1.87551 -0.00000 0.00000  0.00000  324 GLY A HA2  
6    H  HA3  . GLY A 5   ? 1.87551 1.87551 1.87551 -0.00000 0.00000  0.00000  324 GLY A HA3  
7    N  N    . SER A 6   ? 1.95550 1.93729 1.21809 0.46404  0.04035  0.36572  325 SER A N    
8    C  CA   . SER A 6   ? 1.66224 1.62268 1.05888 0.44483  0.05968  0.32750  325 SER A CA   
9    C  C    . SER A 6   ? 1.58082 1.47278 0.99897 0.34210  0.06637  0.24140  325 SER A C    
10   O  O    . SER A 6   ? 2.05507 1.78678 1.47116 0.32383  0.13321  0.22283  325 SER A O    
11   C  CB   . SER A 6   ? 2.02172 1.84168 1.43889 0.51351  0.14689  0.37309  325 SER A CB   
12   O  OG   . SER A 6   ? 1.59845 1.40026 1.12990 0.49142  0.16699  0.33265  325 SER A OG   
13   H  H    . SER A 6   ? 2.04705 2.04705 2.04705 -0.00000 0.00000  -0.00000 325 SER A H    
14   H  HA   . SER A 6   ? 1.74022 1.74022 1.74022 0.00000  0.00000  -0.00000 325 SER A HA   
15   H  HB2  . SER A 6   ? 2.12362 2.12362 2.12362 -0.00000 -0.00000 -0.00000 325 SER A HB2  
16   H  HB3  . SER A 6   ? 2.12362 2.12362 2.12362 -0.00000 -0.00000 -0.00000 325 SER A HB3  
17   H  HG   . SER A 6   ? 1.65414 1.65414 1.65414 -0.00000 0.00000  0.00000  325 SER A HG   
18   N  N    . HIS A 7   ? 1.24563 1.26170 0.69918 0.27656  0.00198  0.18998  326 HIS A N    
19   C  CA   . HIS A 7   ? 1.17415 1.13287 0.64685 0.18493  0.01070  0.11914  326 HIS A CA   
20   C  C    . HIS A 7   ? 1.06424 1.07130 0.65910 0.12933  -0.01020 0.06563  326 HIS A C    
21   O  O    . HIS A 7   ? 0.97352 1.06599 0.63489 0.15475  -0.03456 0.07563  326 HIS A O    
22   C  CB   . HIS A 7   ? 1.23569 1.25024 0.61683 0.14313  -0.02123 0.10026  326 HIS A CB   
23   C  CG   . HIS A 7   ? 1.38655 1.29273 0.63478 0.17555  0.02199  0.13911  326 HIS A CG   
24   N  ND1  . HIS A 7   ? 1.61268 1.57138 0.76167 0.25137  0.00439  0.21034  326 HIS A ND1  
25   C  CD2  . HIS A 7   ? 1.43806 1.18611 0.63866 0.14452  0.08564  0.12039  326 HIS A CD2  
26   C  CE1  . HIS A 7   ? 1.64681 1.47714 0.67981 0.26562  0.05741  0.23482  326 HIS A CE1  
27   N  NE2  . HIS A 7   ? 1.59662 1.29494 0.66126 0.19956  0.10984  0.17767  326 HIS A NE2  
28   H  H    . HIS A 7   ? 1.26910 1.26910 1.26910 0.00000  0.00000  -0.00000 326 HIS A H    
29   H  HA   . HIS A 7   ? 1.16804 1.16804 1.16804 -0.00000 0.00000  -0.00000 326 HIS A HA   
30   H  HB2  . HIS A 7   ? 1.22760 1.22760 1.22760 0.00000  -0.00000 -0.00000 326 HIS A HB2  
31   H  HB3  . HIS A 7   ? 1.22760 1.22760 1.22760 0.00000  -0.00000 -0.00000 326 HIS A HB3  
32   H  HD2  . HIS A 7   ? 1.30783 1.30783 1.30783 0.00000  0.00000  -0.00000 326 HIS A HD2  
33   H  HE1  . HIS A 7   ? 1.50800 1.50800 1.50800 -0.00000 0.00000  -0.00000 326 HIS A HE1  
34   H  HE2  . HIS A 7   ? 1.40762 1.40762 1.40762 -0.00000 -0.00000 -0.00000 326 HIS A HE2  
35   N  N    . CYS A 8   ? 0.96876 0.91341 0.59208 0.05602  0.00609  0.01343  327 CYS A N    
36   C  CA   . CYS A 8   ? 0.84503 0.80289 0.57539 0.00369  -0.00093 -0.02967 327 CYS A CA   
37   C  C    . CYS A 8   ? 0.86400 0.97797 0.64609 -0.02160 -0.05688 -0.05049 327 CYS A C    
38   O  O    . CYS A 8   ? 0.78500 0.96088 0.54691 -0.06490 -0.07915 -0.07760 327 CYS A O    
39   C  CB   . CYS A 8   ? 0.91994 0.78007 0.66771 -0.06109 0.03215  -0.06850 327 CYS A CB   
40   S  SG   . CYS A 8   ? 0.76097 0.64736 0.63717 -0.12666 0.02058  -0.11130 327 CYS A SG   
41   H  H    . CYS A 8   ? 0.98081 0.98081 0.98081 -0.00000 0.00000  -0.00000 327 CYS A H    
42   H  HA   . CYS A 8   ? 0.88191 0.88191 0.88191 0.00000  -0.00000 0.00000  327 CYS A HA   
43   H  HB2  . CYS A 8   ? 0.94979 0.94979 0.94979 -0.00000 -0.00000 -0.00000 327 CYS A HB2  
44   H  HB3  . CYS A 8   ? 0.94979 0.94979 0.94979 -0.00000 -0.00000 -0.00000 327 CYS A HB3  
45   N  N    . GLN A 9   ? 0.71450 0.88332 0.56684 -0.00170 -0.07081 -0.04464 328 GLN A N    
46   C  CA   . GLN A 9   ? 0.64994 0.95867 0.56398 -0.02614 -0.11400 -0.06594 328 GLN A CA   
47   C  C    . GLN A 9   ? 0.57203 0.89227 0.56846 -0.02652 -0.10980 -0.07219 328 GLN A C    
48   O  O    . GLN A 9   ? 0.57845 0.81333 0.57718 0.00021  -0.07861 -0.05745 328 GLN A O    
49   C  CB   . GLN A 9   ? 0.70523 1.14213 0.59153 0.02223  -0.15371 -0.03587 328 GLN A CB   
50   C  CG   . GLN A 9   ? 0.75720 1.16707 0.63053 0.10683  -0.13581 0.02096  328 GLN A CG   
51   C  CD   . GLN A 9   ? 0.88170 1.41420 0.72019 0.16188  -0.17521 0.06392  328 GLN A CD   
52   O  OE1  . GLN A 9   ? 0.94353 1.62833 0.83848 0.15736  -0.22083 0.05514  328 GLN A OE1  
53   N  NE2  . GLN A 9   ? 1.00090 1.47142 0.74775 0.21509  -0.15690 0.11322  328 GLN A NE2  
54   H  H    . GLN A 9   ? 0.85236 0.85236 0.85236 -0.00000 0.00000  -0.00000 328 GLN A H    
55   H  HA   . GLN A 9   ? 0.85553 0.85553 0.85553 -0.00000 -0.00000 -0.00000 328 GLN A HA   
56   H  HB2  . GLN A 9   ? 0.96205 0.96205 0.96205 0.00000  0.00000  0.00000  328 GLN A HB2  
57   H  HB3  . GLN A 9   ? 0.96205 0.96205 0.96205 0.00000  0.00000  0.00000  328 GLN A HB3  
58   H  HG2  . GLN A 9   ? 1.00841 1.00841 1.00841 0.00000  -0.00000 -0.00000 328 GLN A HG2  
59   H  HG3  . GLN A 9   ? 1.00841 1.00841 1.00841 0.00000  -0.00000 -0.00000 328 GLN A HG3  
60   H  HE21 . GLN A 9   ? 1.29073 1.29073 1.29073 0.00000  0.00000  -0.00000 328 GLN A HE21 
61   H  HE22 . GLN A 9   ? 1.29073 1.29073 1.29073 0.00000  0.00000  -0.00000 328 GLN A HE22 
62   N  N    . LYS A 10  ? 0.51161 0.93850 0.57002 -0.06028 -0.13719 -0.09755 329 LYS A N    
63   C  CA   . LYS A 10  ? 0.64840 1.10351 0.77708 -0.06409 -0.13453 -0.10405 329 LYS A CA   
64   C  C    . LYS A 10  ? 0.47856 0.99385 0.62043 0.00027  -0.13917 -0.07234 329 LYS A C    
65   O  O    . LYS A 10  ? 0.50726 1.12662 0.64749 0.02819  -0.16839 -0.05731 329 LYS A O    
66   C  CB   . LYS A 10  ? 0.52546 1.06924 0.71502 -0.12159 -0.15220 -0.14049 329 LYS A CB   
67   C  CG   . LYS A 10  ? 0.60917 1.14300 0.85202 -0.12825 -0.13729 -0.14084 329 LYS A CG   
68   C  CD   . LYS A 10  ? 0.46804 0.95926 0.72670 -0.15706 -0.12010 -0.14339 329 LYS A CD   
69   C  CE   . LYS A 10  ? 0.36757 0.94027 0.64570 -0.15602 -0.13139 -0.15206 329 LYS A CE   
70   N  NZ   . LYS A 10  ? 0.76617 1.31700 1.07972 -0.16948 -0.11095 -0.15167 329 LYS A NZ   
71   H  H    . LYS A 10  ? 0.79455 0.79455 0.79455 -0.00000 -0.00000 -0.00000 329 LYS A H    
72   H  HA   . LYS A 10  ? 1.01430 1.01430 1.01430 -0.00000 -0.00000 -0.00000 329 LYS A HA   
73   H  HB2  . LYS A 10  ? 0.92659 0.92659 0.92659 0.00000  -0.00000 -0.00000 329 LYS A HB2  
74   H  HB3  . LYS A 10  ? 0.92659 0.92659 0.92659 0.00000  -0.00000 -0.00000 329 LYS A HB3  
75   H  HG2  . LYS A 10  ? 1.04438 1.04438 1.04438 0.00000  0.00000  -0.00000 329 LYS A HG2  
76   H  HG3  . LYS A 10  ? 1.04438 1.04438 1.04438 0.00000  0.00000  -0.00000 329 LYS A HG3  
77   H  HD2  . LYS A 10  ? 0.86430 0.86430 0.86430 -0.00000 -0.00000 -0.00000 329 LYS A HD2  
78   H  HD3  . LYS A 10  ? 0.86430 0.86430 0.86430 -0.00000 -0.00000 -0.00000 329 LYS A HD3  
79   H  HE2  . LYS A 10  ? 0.78057 0.78057 0.78057 -0.00000 0.00000  0.00000  329 LYS A HE2  
80   H  HE3  . LYS A 10  ? 0.78057 0.78057 0.78057 -0.00000 0.00000  0.00000  329 LYS A HE3  
81   H  HZ1  . LYS A 10  ? 1.26786 1.26786 1.26786 -0.00000 0.00000  0.00000  329 LYS A HZ1  
82   H  HZ2  . LYS A 10  ? 1.26786 1.26786 1.26786 -0.00000 0.00000  0.00000  329 LYS A HZ2  
83   H  HZ3  . LYS A 10  ? 1.26786 1.26786 1.26786 -0.00000 0.00000  0.00000  329 LYS A HZ3  
84   N  N    . THR A 11  ? 0.46909 0.92318 0.62719 0.02121  -0.10876 -0.06357 330 THR A N    
85   C  CA   . THR A 11  ? 0.49624 0.99020 0.68061 0.07885  -0.09667 -0.03654 330 THR A CA   
86   C  C    . THR A 11  ? 0.44868 0.93468 0.67912 0.05065  -0.07856 -0.06020 330 THR A C    
87   O  O    . THR A 11  ? 0.40916 0.84433 0.63705 -0.00196 -0.07516 -0.08657 330 THR A O    
88   C  CB   . THR A 11  ? 0.60896 1.00671 0.74648 0.14049  -0.05681 0.00086  330 THR A CB   
89   O  OG1  . THR A 11  ? 0.64174 0.90623 0.75416 0.11302  -0.01888 -0.01986 330 THR A OG1  
90   C  CG2  . THR A 11  ? 0.73082 1.12334 0.80574 0.17162  -0.06922 0.03179  330 THR A CG2  
91   H  H    . THR A 11  ? 0.79428 0.79428 0.79428 -0.00000 0.00000  0.00000  330 THR A H    
92   H  HA   . THR A 11  ? 0.85332 0.85332 0.85332 -0.00000 -0.00000 -0.00000 330 THR A HA   
93   H  HB   . THR A 11  ? 0.94756 0.94756 0.94756 -0.00000 -0.00000 -0.00000 330 THR A HB   
94   H  HG1  . THR A 11  ? 0.92355 0.92355 0.92355 -0.00000 -0.00000 -0.00000 330 THR A HG1  
95   H  HG21 . THR A 11  ? 1.06666 1.06666 1.06666 0.00000  0.00000  0.00000  330 THR A HG21 
96   H  HG22 . THR A 11  ? 1.06666 1.06666 1.06666 0.00000  0.00000  0.00000  330 THR A HG22 
97   H  HG23 . THR A 11  ? 1.06666 1.06666 1.06666 0.00000  0.00000  0.00000  330 THR A HG23 
98   N  N    . SER A 12  ? 0.46136 1.00065 0.73445 0.08783  -0.06519 -0.04676 331 SER A N    
99   C  CA   . SER A 12  ? 0.43448 0.97174 0.74209 0.06158  -0.04415 -0.06884 331 SER A CA   
100  C  C    . SER A 12  ? 0.46237 0.86978 0.72292 0.05199  -0.00203 -0.07913 331 SER A C    
101  O  O    . SER A 12  ? 0.51941 0.84670 0.74450 0.08621  0.02816  -0.06449 331 SER A O    
102  C  CB   . SER A 12  ? 0.44614 1.07388 0.81952 0.10452  -0.03284 -0.05318 331 SER A CB   
103  O  OG   . SER A 12  ? 0.72194 1.32829 1.08449 0.17373  -0.01285 -0.01319 331 SER A OG   
104  H  H    . SER A 12  ? 0.86508 0.86508 0.86508 -0.00000 -0.00000 -0.00000 331 SER A H    
105  H  HA   . SER A 12  ? 0.86203 0.86203 0.86203 -0.00000 -0.00000 0.00000  331 SER A HA   
106  H  HB2  . SER A 12  ? 0.92231 0.92231 0.92231 -0.00000 -0.00000 0.00000  331 SER A HB2  
107  H  HB3  . SER A 12  ? 0.92231 0.92231 0.92231 -0.00000 -0.00000 0.00000  331 SER A HB3  
108  H  HG   . SER A 12  ? 1.25659 1.25659 1.25659 -0.00000 0.00000  0.00000  331 SER A HG   
109  N  N    . LEU A 13  ? 0.43342 0.82561 0.69459 0.00362  0.00221  -0.10510 332 LEU A N    
110  C  CA   . LEU A 13  ? 0.55266 0.84992 0.77062 -0.01278 0.03809  -0.12203 332 LEU A CA   
111  C  C    . LEU A 13  ? 0.45799 0.78815 0.68717 -0.04828 0.04233  -0.13871 332 LEU A C    
112  O  O    . LEU A 13  ? 0.43275 0.79026 0.66995 -0.09072 0.01417  -0.14445 332 LEU A O    
113  C  CB   . LEU A 13  ? 0.46845 0.68652 0.64464 -0.04653 0.02666  -0.13339 332 LEU A CB   
114  C  CG   . LEU A 13  ? 0.60919 0.74612 0.74137 -0.07721 0.05340  -0.15971 332 LEU A CG   
115  C  CD1  . LEU A 13  ? 0.59062 0.66296 0.70256 -0.04083 0.10983  -0.16438 332 LEU A CD1  
116  C  CD2  . LEU A 13  ? 0.49885 0.58178 0.61361 -0.11402 0.03415  -0.17070 332 LEU A CD2  
117  H  H    . LEU A 13  ? 0.76794 0.76794 0.76794 0.00000  -0.00000 -0.00000 332 LEU A H    
118  H  HA   . LEU A 13  ? 0.87198 0.87198 0.87198 -0.00000 0.00000  -0.00000 332 LEU A HA   
119  H  HB2  . LEU A 13  ? 0.70634 0.70634 0.70634 -0.00000 -0.00000 -0.00000 332 LEU A HB2  
120  H  HB3  . LEU A 13  ? 0.70634 0.70634 0.70634 -0.00000 -0.00000 -0.00000 332 LEU A HB3  
121  H  HG   . LEU A 13  ? 0.84137 0.84137 0.84137 0.00000  -0.00000 -0.00000 332 LEU A HG   
122  H  HD11 . LEU A 13  ? 0.76895 0.76895 0.76895 0.00000  -0.00000 0.00000  332 LEU A HD11 
123  H  HD12 . LEU A 13  ? 0.76895 0.76895 0.76895 0.00000  -0.00000 0.00000  332 LEU A HD12 
124  H  HD13 . LEU A 13  ? 0.76895 0.76895 0.76895 0.00000  -0.00000 0.00000  332 LEU A HD13 
125  H  HD21 . LEU A 13  ? 0.66419 0.66419 0.66419 -0.00000 0.00000  -0.00000 332 LEU A HD21 
126  H  HD22 . LEU A 13  ? 0.66419 0.66419 0.66419 -0.00000 0.00000  -0.00000 332 LEU A HD22 
127  H  HD23 . LEU A 13  ? 0.66419 0.66419 0.66419 -0.00000 0.00000  -0.00000 332 LEU A HD23 
128  N  N    . ARG A 14  ? 0.50265 0.82724 0.73551 -0.02820 0.08484  -0.14291 333 ARG A N    
129  C  CA   . ARG A 14  ? 0.50813 0.85260 0.73971 -0.05840 0.10085  -0.15774 333 ARG A CA   
130  C  C    . ARG A 14  ? 0.56712 0.82189 0.71714 -0.09481 0.12373  -0.18227 333 ARG A C    
131  O  O    . ARG A 14  ? 0.66138 0.84546 0.77864 -0.08006 0.16572  -0.19592 333 ARG A O    
132  C  CB   . ARG A 14  ? 0.53390 0.92652 0.82076 -0.01980 0.13992  -0.15159 333 ARG A CB   
133  C  CG   . ARG A 14  ? 1.05911 1.44919 1.33222 -0.04948 0.17416  -0.16945 333 ARG A CG   
134  C  CD   . ARG A 14  ? 1.00315 1.46804 1.36365 -0.01521 0.20523  -0.16167 333 ARG A CD   
135  N  NE   . ARG A 14  ? 1.17801 1.75535 1.61893 -0.01965 0.16333  -0.15318 333 ARG A NE   
136  C  CZ   . ARG A 14  ? 1.26288 1.87572 1.72134 -0.05917 0.16278  -0.16404 333 ARG A CZ   
137  N  NH1  . ARG A 14  ? 0.92260 1.47201 1.31520 -0.09319 0.19580  -0.17560 333 ARG A NH1  
138  N  NH2  . ARG A 14  ? 1.20489 1.91861 1.74510 -0.06666 0.13198  -0.16410 333 ARG A NH2  
139  H  H    . ARG A 14  ? 0.81265 0.81265 0.81265 -0.00000 0.00000  -0.00000 333 ARG A H    
140  H  HA   . ARG A 14  ? 0.82746 0.82746 0.82746 -0.00000 0.00000  0.00000  333 ARG A HA   
141  H  HB2  . ARG A 14  ? 0.89896 0.89896 0.89896 -0.00000 -0.00000 -0.00000 333 ARG A HB2  
142  H  HB3  . ARG A 14  ? 0.89896 0.89896 0.89896 -0.00000 -0.00000 -0.00000 333 ARG A HB3  
143  H  HG2  . ARG A 14  ? 1.53891 1.53891 1.53891 0.00000  -0.00000 0.00000  333 ARG A HG2  
144  H  HG3  . ARG A 14  ? 1.53891 1.53891 1.53891 0.00000  -0.00000 0.00000  333 ARG A HG3  
145  H  HD2  . ARG A 14  ? 1.53663 1.53663 1.53663 -0.00000 0.00000  -0.00000 333 ARG A HD2  
146  H  HD3  . ARG A 14  ? 1.53663 1.53663 1.53663 -0.00000 0.00000  -0.00000 333 ARG A HD3  
147  H  HE   . ARG A 14  ? 1.82362 1.82362 1.82362 -0.00000 -0.00000 0.00000  333 ARG A HE   
148  H  HH11 . ARG A 14  ? 1.48662 1.48662 1.48662 -0.00000 -0.00000 0.00000  333 ARG A HH11 
149  H  HH12 . ARG A 14  ? 1.48662 1.48662 1.48662 -0.00000 -0.00000 0.00000  333 ARG A HH12 
150  H  HH21 . ARG A 14  ? 1.95014 1.95014 1.95014 -0.00000 0.00000  -0.00000 333 ARG A HH21 
151  H  HH22 . ARG A 14  ? 1.95014 1.95014 1.95014 -0.00000 0.00000  -0.00000 333 ARG A HH22 
152  N  N    . VAL A 15  ? 0.55110 0.81225 0.67024 -0.14303 0.09839  -0.18743 334 VAL A N    
153  C  CA   . VAL A 15  ? 0.60581 0.80577 0.64473 -0.18465 0.09983  -0.20803 334 VAL A CA   
154  C  C    . VAL A 15  ? 0.66285 0.86728 0.65539 -0.20908 0.12726  -0.21802 334 VAL A C    
155  O  O    . VAL A 15  ? 0.63233 0.88749 0.64475 -0.22100 0.11383  -0.19955 334 VAL A O    
156  C  CB   . VAL A 15  ? 0.55775 0.76599 0.59488 -0.21788 0.04544  -0.19611 334 VAL A CB   
157  C  CG1  . VAL A 15  ? 0.65030 0.82828 0.61131 -0.26405 0.03527  -0.21181 334 VAL A CG1  
158  C  CG2  . VAL A 15  ? 0.64496 0.82811 0.71167 -0.19946 0.03015  -0.19298 334 VAL A CG2  
159  H  H    . VAL A 15  ? 0.79993 0.79993 0.79993 -0.00000 -0.00000 -0.00000 334 VAL A H    
160  H  HA   . VAL A 15  ? 0.80902 0.80902 0.80902 -0.00000 -0.00000 0.00000  334 VAL A HA   
161  H  HB   . VAL A 15  ? 0.75394 0.75394 0.75394 -0.00000 -0.00000 -0.00000 334 VAL A HB   
162  H  HG11 . VAL A 15  ? 0.83866 0.83866 0.83866 -0.00000 0.00000  -0.00000 334 VAL A HG11 
163  H  HG12 . VAL A 15  ? 0.83866 0.83866 0.83866 -0.00000 0.00000  -0.00000 334 VAL A HG12 
164  H  HG13 . VAL A 15  ? 0.83866 0.83866 0.83866 -0.00000 0.00000  -0.00000 334 VAL A HG13 
165  H  HG21 . VAL A 15  ? 0.87660 0.87660 0.87660 0.00000  -0.00000 -0.00000 334 VAL A HG21 
166  H  HG22 . VAL A 15  ? 0.87660 0.87660 0.87660 0.00000  -0.00000 -0.00000 334 VAL A HG22 
167  H  HG23 . VAL A 15  ? 0.87660 0.87660 0.87660 0.00000  -0.00000 -0.00000 334 VAL A HG23 
168  N  N    . ASN A 16  ? 0.80719 0.94982 0.73258 -0.22064 0.17169  -0.24979 335 ASN A N    
169  C  CA   . ASN A 16  ? 0.84187 0.96983 0.69169 -0.25300 0.20369  -0.26747 335 ASN A CA   
170  C  C    . ASN A 16  ? 0.88782 1.00305 0.64598 -0.30786 0.16475  -0.27818 335 ASN A C    
171  O  O    . ASN A 16  ? 0.92187 0.99652 0.64513 -0.32802 0.15685  -0.30626 335 ASN A O    
172  C  CB   . ASN A 16  ? 0.93460 1.00003 0.76221 -0.23887 0.28299  -0.30184 335 ASN A CB   
173  C  CG   . ASN A 16  ? 1.06189 1.10560 0.80948 -0.27112 0.33038  -0.32397 335 ASN A CG   
174  O  OD1  . ASN A 16  ? 1.09691 1.13038 0.74337 -0.32217 0.30964  -0.33800 335 ASN A OD1  
175  N  ND2  . ASN A 16  ? 1.06244 1.10397 0.85293 -0.24218 0.39461  -0.32488 335 ASN A ND2  
176  H  H    . ASN A 16  ? 0.99854 0.99854 0.99854 -0.00000 -0.00000 -0.00000 335 ASN A H    
177  H  HA   . ASN A 16  ? 0.98785 0.98785 0.98785 0.00000  0.00000  0.00000  335 ASN A HA   
178  H  HB2  . ASN A 16  ? 1.06523 1.06523 1.06523 -0.00000 -0.00000 -0.00000 335 ASN A HB2  
179  H  HB3  . ASN A 16  ? 1.06523 1.06523 1.06523 -0.00000 -0.00000 -0.00000 335 ASN A HB3  
180  H  HD21 . ASN A 16  ? 1.19423 1.19423 1.19423 -0.00000 0.00000  0.00000  335 ASN A HD21 
181  H  HD22 . ASN A 16  ? 1.19423 1.19423 1.19423 -0.00000 0.00000  0.00000  335 ASN A HD22 
182  N  N    . PHE A 17  ? 0.88752 0.86627 0.58555 -0.20375 0.09650  -0.17892 336 PHE A N    
183  C  CA   . PHE A 17  ? 0.90140 0.85009 0.55493 -0.24893 0.07203  -0.17505 336 PHE A CA   
184  C  C    . PHE A 17  ? 0.98402 0.88617 0.57244 -0.26264 0.08939  -0.20883 336 PHE A C    
185  O  O    . PHE A 17  ? 1.00153 0.85615 0.56117 -0.28733 0.06765  -0.21297 336 PHE A O    
186  C  CB   . PHE A 17  ? 0.87409 0.87837 0.52799 -0.28438 0.05428  -0.15048 336 PHE A CB   
187  C  CG   . PHE A 17  ? 0.79336 0.83267 0.50983 -0.28434 0.02639  -0.11924 336 PHE A CG   
188  C  CD1  . PHE A 17  ? 0.89023 0.89382 0.62892 -0.28656 -0.00268 -0.10806 336 PHE A CD1  
189  C  CD2  . PHE A 17  ? 0.75817 0.86741 0.51593 -0.28214 0.03167  -0.10474 336 PHE A CD2  
190  C  CE1  . PHE A 17  ? 0.68590 0.72326 0.48193 -0.28719 -0.02628 -0.08490 336 PHE A CE1  
191  C  CE2  . PHE A 17  ? 0.81242 0.95429 0.63099 -0.28255 0.00617  -0.08183 336 PHE A CE2  
192  C  CZ   . PHE A 17  ? 0.65245 0.75837 0.48807 -0.28500 -0.02290 -0.07288 336 PHE A CZ   
193  H  H    . PHE A 17  ? 0.92223 0.92223 0.92223 -0.00000 0.00000  -0.00000 336 PHE A H    
194  H  HA   . PHE A 17  ? 0.90906 0.90906 0.90906 -0.00000 0.00000  -0.00000 336 PHE A HA   
195  H  HB2  . PHE A 17  ? 0.89867 0.89867 0.89867 -0.00000 0.00000  0.00000  336 PHE A HB2  
196  H  HB3  . PHE A 17  ? 0.89867 0.89867 0.89867 -0.00000 0.00000  0.00000  336 PHE A HB3  
197  H  HD1  . PHE A 17  ? 0.96789 0.96789 0.96789 -0.00000 0.00000  -0.00000 336 PHE A HD1  
198  H  HD2  . PHE A 17  ? 0.84309 0.84309 0.84309 -0.00000 -0.00000 0.00000  336 PHE A HD2  
199  H  HE1  . PHE A 17  ? 0.74293 0.74293 0.74293 -0.00000 0.00000  -0.00000 336 PHE A HE1  
200  H  HE2  . PHE A 17  ? 0.96178 0.96178 0.96178 -0.00000 -0.00000 -0.00000 336 PHE A HE2  
201  H  HZ   . PHE A 17  ? 0.74605 0.74605 0.74605 0.00000  -0.00000 -0.00000 336 PHE A HZ   
202  N  N    . GLU A 18  ? 1.03565 0.95175 0.60712 -0.24524 0.12846  -0.23651 337 GLU A N    
203  C  CA   . GLU A 18  ? 1.11918 0.99094 0.63485 -0.25210 0.15008  -0.27680 337 GLU A CA   
204  C  C    . GLU A 18  ? 1.13229 0.92747 0.65889 -0.23512 0.14576  -0.29116 337 GLU A C    
205  O  O    . GLU A 18  ? 1.19056 0.93707 0.67475 -0.25853 0.13846  -0.31376 337 GLU A O    
206  C  CB   . GLU A 18  ? 1.16745 1.06853 0.68084 -0.22817 0.19770  -0.30714 337 GLU A CB   
207  C  CG   . GLU A 18  ? 1.63270 1.49996 1.08052 -0.24351 0.22123  -0.35291 337 GLU A CG   
208  C  CD   . GLU A 18  ? 1.68632 1.58743 1.13203 -0.22374 0.27164  -0.38701 337 GLU A CD   
209  O  OE1  . GLU A 18  ? 1.73007 1.62267 1.23108 -0.17835 0.29591  -0.40052 337 GLU A OE1  
210  O  OE2  . GLU A 18  ? 1.79738 1.73445 1.18736 -0.25323 0.28734  -0.39911 337 GLU A OE2  
211  H  H    . GLU A 18  ? 1.02430 1.02430 1.02430 -0.00000 -0.00000 -0.00000 337 GLU A H    
212  H  HA   . GLU A 18  ? 1.08448 1.08448 1.08448 -0.00000 0.00000  -0.00000 337 GLU A HA   
213  H  HB2  . GLU A 18  ? 1.15322 1.15322 1.15322 -0.00000 0.00000  -0.00000 337 GLU A HB2  
214  H  HB3  . GLU A 18  ? 1.15322 1.15322 1.15322 -0.00000 0.00000  -0.00000 337 GLU A HB3  
215  H  HG2  . GLU A 18  ? 1.68797 1.68797 1.68797 -0.00000 0.00000  0.00000  337 GLU A HG2  
216  H  HG3  . GLU A 18  ? 1.68797 1.68797 1.68797 -0.00000 0.00000  0.00000  337 GLU A HG3  
217  N  N    . ASP A 19  ? 1.32197 1.10790 0.90590 -0.19599 0.14850  -0.27613 338 ASP A N    
218  C  CA   . ASP A 19  ? 1.15500 0.86784 0.75435 -0.17476 0.15189  -0.28536 338 ASP A CA   
219  C  C    . ASP A 19  ? 1.08774 0.75923 0.68080 -0.20483 0.11710  -0.27143 338 ASP A C    
220  O  O    . ASP A 19  ? 1.15480 0.75893 0.74135 -0.20550 0.12150  -0.29082 338 ASP A O    
221  C  CB   . ASP A 19  ? 1.07894 0.79836 0.73546 -0.12499 0.16164  -0.26579 338 ASP A CB   
222  C  CG   . ASP A 19  ? 1.39702 1.14435 1.07126 -0.08860 0.19831  -0.28620 338 ASP A CG   
223  O  OD1  . ASP A 19  ? 1.24182 1.00119 0.88270 -0.10299 0.22095  -0.31870 338 ASP A OD1  
224  O  OD2  . ASP A 19  ? 1.33640 1.09547 1.05825 -0.04531 0.20424  -0.27059 338 ASP A OD2  
225  H  H    . ASP A 19  ? 1.33701 1.33701 1.33701 0.00000  0.00000  -0.00000 338 ASP A H    
226  H  HA   . ASP A 19  ? 1.11358 1.11358 1.11358 -0.00000 0.00000  -0.00000 338 ASP A HA   
227  H  HB2  . ASP A 19  ? 1.04394 1.04394 1.04394 -0.00000 0.00000  0.00000  338 ASP A HB2  
228  H  HB3  . ASP A 19  ? 1.04394 1.04394 1.04394 -0.00000 0.00000  0.00000  338 ASP A HB3  
229  N  N    . ILE A 20  ? 1.11130 0.82116 0.71411 -0.22932 0.08403  -0.24004 339 ILE A N    
230  C  CA   . ILE A 20  ? 1.02154 0.69936 0.62614 -0.25984 0.04986  -0.22830 339 ILE A CA   
231  C  C    . ILE A 20  ? 1.03350 0.71623 0.59233 -0.30763 0.02544  -0.23635 339 ILE A C    
232  O  O    . ILE A 20  ? 1.04797 0.71335 0.61590 -0.33426 -0.00742 -0.22503 339 ILE A O    
233  C  CB   . ILE A 20  ? 0.92195 0.63019 0.57608 -0.25484 0.02644  -0.19034 339 ILE A CB   
234  C  CG1  . ILE A 20  ? 1.09621 0.87907 0.75841 -0.27008 0.01167  -0.16891 339 ILE A CG1  
235  C  CG2  . ILE A 20  ? 1.00078 0.69966 0.69168 -0.20812 0.04550  -0.18073 339 ILE A CG2  
236  C  CD1  . ILE A 20  ? 0.86099 0.66597 0.56444 -0.27928 -0.01661 -0.14115 339 ILE A CD1  
237  H  H    . ILE A 20  ? 1.06133 1.06133 1.06133 -0.00000 -0.00000 -0.00000 339 ILE A H    
238  H  HA   . ILE A 20  ? 0.94152 0.94152 0.94152 -0.00000 0.00000  -0.00000 339 ILE A HA   
239  H  HB   . ILE A 20  ? 0.83778 0.83778 0.83778 -0.00000 0.00000  -0.00000 339 ILE A HB   
240  H  HG12 . ILE A 20  ? 1.09617 1.09617 1.09617 -0.00000 -0.00000 -0.00000 339 ILE A HG12 
241  H  HG13 . ILE A 20  ? 1.09617 1.09617 1.09617 -0.00000 -0.00000 -0.00000 339 ILE A HG13 
242  H  HG21 . ILE A 20  ? 0.95955 0.95955 0.95955 -0.00000 0.00000  -0.00000 339 ILE A HG21 
243  H  HG22 . ILE A 20  ? 0.95955 0.95955 0.95955 -0.00000 0.00000  -0.00000 339 ILE A HG22 
244  H  HG23 . ILE A 20  ? 0.95955 0.95955 0.95955 -0.00000 0.00000  -0.00000 339 ILE A HG23 
245  H  HD11 . ILE A 20  ? 0.83926 0.83926 0.83926 -0.00000 -0.00000 -0.00000 339 ILE A HD11 
246  H  HD12 . ILE A 20  ? 0.83926 0.83926 0.83926 -0.00000 -0.00000 -0.00000 339 ILE A HD12 
247  H  HD13 . ILE A 20  ? 0.83926 0.83926 0.83926 -0.00000 -0.00000 -0.00000 339 ILE A HD13 
248  N  N    . GLY A 21  ? 1.08225 0.78704 0.59110 -0.31793 0.04193  -0.25728 340 GLY A N    
249  C  CA   . GLY A 21  ? 1.14146 0.84998 0.59334 -0.36121 0.02015  -0.26571 340 GLY A CA   
250  C  C    . GLY A 21  ? 1.16300 0.92587 0.61269 -0.39005 -0.01073 -0.22785 340 GLY A C    
251  O  O    . GLY A 21  ? 1.36472 1.13679 0.79918 -0.40833 -0.03403 -0.21287 340 GLY A O    
252  H  H    . GLY A 21  ? 0.97065 0.97065 0.97065 -0.00000 0.00000  -0.00000 340 GLY A H    
253  H  HA2  . GLY A 21  ? 1.03661 1.03661 1.03661 -0.00000 0.00000  -0.00000 340 GLY A HA2  
254  H  HA3  . GLY A 21  ? 1.03661 1.03661 1.03661 -0.00000 0.00000  -0.00000 340 GLY A HA3  
255  N  N    . TRP A 22  ? 1.02079 0.83121 0.51748 -0.37432 -0.00781 -0.19798 341 TRP A N    
256  C  CA   . TRP A 22  ? 1.03647 0.89668 0.54353 -0.40024 -0.03431 -0.16149 341 TRP A CA   
257  C  C    . TRP A 22  ? 1.12670 1.04129 0.59922 -0.40792 -0.01119 -0.15738 341 TRP A C    
258  O  O    . TRP A 22  ? 0.99591 0.94998 0.47194 -0.43217 -0.02923 -0.12607 341 TRP A O    
259  C  CB   . TRP A 22  ? 0.96820 0.85146 0.55336 -0.38399 -0.04797 -0.13265 341 TRP A CB   
260  C  CG   . TRP A 22  ? 0.85127 0.70030 0.48253 -0.37729 -0.07435 -0.11886 341 TRP A CG   
261  C  CD1  . TRP A 22  ? 1.16801 0.97275 0.79671 -0.36970 -0.08024 -0.12789 341 TRP A CD1  
262  C  CD2  . TRP A 22  ? 0.77126 0.64193 0.47648 -0.35730 -0.08910 -0.08975 341 TRP A CD2  
263  N  NE1  . TRP A 22  ? 0.81360 0.61534 0.51034 -0.34675 -0.09580 -0.10711 341 TRP A NE1  
264  C  CE2  . TRP A 22  ? 0.82307 0.66321 0.56329 -0.33729 -0.10020 -0.08449 341 TRP A CE2  
265  C  CE3  . TRP A 22  ? 0.89569 0.81444 0.64513 -0.35131 -0.09162 -0.07175 341 TRP A CE3  
266  C  CZ2  . TRP A 22  ? 0.72664 0.58126 0.53501 -0.31121 -0.10890 -0.06628 341 TRP A CZ2  
267  C  CZ3  . TRP A 22  ? 0.78448 0.71170 0.60079 -0.32352 -0.10328 -0.05210 341 TRP A CZ3  
268  C  CH2  . TRP A 22  ? 0.82763 0.72217 0.66862 -0.30390 -0.10950 -0.05176 341 TRP A CH2  
269  H  H    . TRP A 22  ? 0.93428 0.93428 0.93428 -0.00000 -0.00000 -0.00000 341 TRP A H    
270  H  HA   . TRP A 22  ? 0.99338 0.99338 0.99338 0.00000  -0.00000 -0.00000 341 TRP A HA   
271  H  HB2  . TRP A 22  ? 0.95191 0.95191 0.95191 -0.00000 -0.00000 -0.00000 341 TRP A HB2  
272  H  HB3  . TRP A 22  ? 0.95191 0.95191 0.95191 -0.00000 -0.00000 -0.00000 341 TRP A HB3  
273  H  HD1  . TRP A 22  ? 1.17769 1.17769 1.17769 -0.00000 0.00000  -0.00000 341 TRP A HD1  
274  H  HE1  . TRP A 22  ? 0.76220 0.76220 0.76220 -0.00000 0.00000  -0.00000 341 TRP A HE1  
275  H  HE3  . TRP A 22  ? 0.94481 0.94481 0.94481 -0.00000 -0.00000 -0.00000 341 TRP A HE3  
276  H  HZ2  . TRP A 22  ? 0.73986 0.73986 0.73986 0.00000  -0.00000 -0.00000 341 TRP A HZ2  
277  H  HZ3  . TRP A 22  ? 0.84149 0.84149 0.84149 -0.00000 0.00000  0.00000  341 TRP A HZ3  
278  H  HH2  . TRP A 22  ? 0.89007 0.89007 0.89007 -0.00000 0.00000  0.00000  341 TRP A HH2  
279  N  N    . ASP A 23  ? 1.11384 1.02891 0.55638 -0.38804 0.03076  -0.18952 342 ASP A N    
280  C  CA   . ASP A 23  ? 1.22265 1.18318 0.61974 -0.40012 0.05833  -0.19396 342 ASP A CA   
281  C  C    . ASP A 23  ? 1.45783 1.41414 0.77486 -0.44599 0.03722  -0.18893 342 ASP A C    
282  O  O    . ASP A 23  ? 1.57971 1.57879 0.85785 -0.46524 0.05154  -0.17735 342 ASP A O    
283  C  CB   . ASP A 23  ? 1.30015 1.25457 0.68281 -0.36946 0.10831  -0.23764 342 ASP A CB   
284  C  CG   . ASP A 23  ? 1.64330 1.53182 0.98646 -0.36620 0.11408  -0.28013 342 ASP A CG   
285  O  OD1  . ASP A 23  ? 1.24522 1.08510 0.59765 -0.37418 0.08114  -0.27651 342 ASP A OD1  
286  O  OD2  . ASP A 23  ? 2.17195 2.05823 1.47912 -0.35716 0.15270  -0.31953 342 ASP A OD2  
287  H  H    . ASP A 23  ? 1.08236 1.08236 1.08236 -0.00000 0.00000  0.00000  342 ASP A H    
288  H  HA   . ASP A 23  ? 1.21293 1.21293 1.21293 -0.00000 0.00000  0.00000  342 ASP A HA   
289  H  HB2  . ASP A 23  ? 1.29771 1.29771 1.29771 -0.00000 -0.00000 -0.00000 342 ASP A HB2  
290  H  HB3  . ASP A 23  ? 1.29771 1.29771 1.29771 -0.00000 -0.00000 -0.00000 342 ASP A HB3  
291  N  N    . SER A 24  ? 1.19927 1.10644 0.49573 -0.46278 0.00244  -0.19456 343 SER A N    
292  C  CA   . SER A 24  ? 1.73432 1.64382 0.99326 -0.48910 -0.02279 -0.17409 343 SER A CA   
293  C  C    . SER A 24  ? 1.34689 1.29545 0.62445 -0.51337 -0.05005 -0.12113 343 SER A C    
294  O  O    . SER A 24  ? 1.41744 1.38265 0.64930 -0.53792 -0.05853 -0.10150 343 SER A O    
295  C  CB   . SER A 24  ? 1.40573 1.26554 0.68089 -0.48412 -0.05222 -0.18090 343 SER A CB   
296  O  OG   . SER A 24  ? 1.81479 1.65768 1.16838 -0.46978 -0.07738 -0.15871 343 SER A OG   
297  H  H    . SER A 24  ? 1.10707 1.10707 1.10707 -0.00000 0.00000  0.00000  343 SER A H    
298  H  HA   . SER A 24  ? 1.75126 1.75126 1.75126 0.00000  -0.00000 -0.00000 343 SER A HA   
299  H  HB2  . SER A 24  ? 1.34356 1.34356 1.34356 -0.00000 0.00000  -0.00000 343 SER A HB2  
300  H  HB3  . SER A 24  ? 1.34356 1.34356 1.34356 -0.00000 0.00000  -0.00000 343 SER A HB3  
301  H  HG   . SER A 24  ? 1.85904 1.85904 1.85904 0.00000  0.00000  0.00000  343 SER A HG   
302  N  N    . TRP A 25  ? 1.12323 1.08583 0.47080 -0.50631 -0.06401 -0.09765 344 TRP A N    
303  C  CA   . TRP A 25  ? 1.24461 1.24362 0.62062 -0.52816 -0.08783 -0.04909 344 TRP A CA   
304  C  C    . TRP A 25  ? 1.13358 1.18427 0.56152 -0.52063 -0.07059 -0.03536 344 TRP A C    
305  O  O    . TRP A 25  ? 1.47749 1.56502 0.91985 -0.54159 -0.07956 0.00140  344 TRP A O    
306  C  CB   . TRP A 25  ? 1.07786 1.04846 0.51879 -0.51941 -0.12736 -0.01735 344 TRP A CB   
307  C  CG   . TRP A 25  ? 1.31914 1.27346 0.84273 -0.48223 -0.13018 -0.02060 344 TRP A CG   
308  C  CD1  . TRP A 25  ? 1.78834 1.70560 1.32503 -0.45642 -0.12113 -0.05184 344 TRP A CD1  
309  C  CD2  . TRP A 25  ? 1.29061 1.26534 0.89437 -0.46249 -0.14068 0.00863  344 TRP A CD2  
310  N  NE1  . TRP A 25  ? 1.19321 1.10951 0.80875 -0.42505 -0.12587 -0.04129 344 TRP A NE1  
311  C  CE2  . TRP A 25  ? 1.33051 1.28258 0.98808 -0.42446 -0.13675 -0.00738 344 TRP A CE2  
312  C  CE3  . TRP A 25  ? 1.11116 1.12004 0.74601 -0.47008 -0.15123 0.04491  344 TRP A CE3  
313  C  CZ2  . TRP A 25  ? 1.26366 1.23006 0.99911 -0.39251 -0.14126 0.00761  344 TRP A CZ2  
314  C  CZ3  . TRP A 25  ? 1.15523 1.17344 0.87272 -0.43308 -0.15543 0.05656  344 TRP A CZ3  
315  C  CH2  . TRP A 25  ? 1.07586 1.07467 0.84018 -0.39481 -0.14970 0.03615  344 TRP A CH2  
316  H  H    . TRP A 25  ? 1.06837 1.06837 1.06837 -0.00000 -0.00000 0.00000  344 TRP A H    
317  H  HA   . TRP A 25  ? 1.24624 1.24624 1.24624 0.00000  0.00000  -0.00000 344 TRP A HA   
318  H  HB2  . TRP A 25  ? 1.06074 1.06074 1.06074 0.00000  0.00000  0.00000  344 TRP A HB2  
319  H  HB3  . TRP A 25  ? 1.06074 1.06074 1.06074 0.00000  0.00000  0.00000  344 TRP A HB3  
320  H  HD1  . TRP A 25  ? 1.93029 1.93029 1.93029 0.00000  0.00000  -0.00000 344 TRP A HD1  
321  H  HE1  . TRP A 25  ? 1.24729 1.24729 1.24729 0.00000  0.00000  -0.00000 344 TRP A HE1  
322  H  HE3  . TRP A 25  ? 1.19359 1.19359 1.19359 -0.00000 0.00000  0.00000  344 TRP A HE3  
323  H  HZ2  . TRP A 25  ? 1.39984 1.39984 1.39984 -0.00000 0.00000  -0.00000 344 TRP A HZ2  
324  H  HZ3  . TRP A 25  ? 1.28326 1.28326 1.28326 -0.00000 0.00000  -0.00000 344 TRP A HZ3  
325  H  HH2  . TRP A 25  ? 1.19898 1.19898 1.19898 -0.00000 0.00000  -0.00000 344 TRP A HH2  
326  N  N    . ILE A 26  ? 1.00877 1.06264 0.48273 -0.48154 -0.04185 -0.05942 345 ILE A N    
327  C  CA   . ILE A 26  ? 0.93514 1.04245 0.47679 -0.46102 -0.02035 -0.04753 345 ILE A CA   
328  C  C    . ILE A 26  ? 0.98580 1.12877 0.49179 -0.45305 0.02963  -0.06609 345 ILE A C    
329  O  O    . ILE A 26  ? 1.07501 1.19707 0.54849 -0.43187 0.05881  -0.10377 345 ILE A O    
330  C  CB   . ILE A 26  ? 0.85868 0.95652 0.47410 -0.42203 -0.02191 -0.05844 345 ILE A CB   
331  C  CG1  . ILE A 26  ? 0.88178 0.95820 0.54108 -0.43508 -0.06756 -0.03669 345 ILE A CG1  
332  C  CG2  . ILE A 26  ? 0.81501 0.97303 0.49241 -0.39646 0.00365  -0.05523 345 ILE A CG2  
333  C  CD1  . ILE A 26  ? 0.89265 0.95283 0.60355 -0.40613 -0.07205 -0.04534 345 ILE A CD1  
334  H  H    . ILE A 26  ? 1.02436 1.02436 1.02436 0.00000  0.00000  -0.00000 345 ILE A H    
335  H  HA   . ILE A 26  ? 0.98445 0.98445 0.98445 -0.00000 0.00000  -0.00000 345 ILE A HA   
336  H  HB   . ILE A 26  ? 0.90221 0.90221 0.90221 0.00000  -0.00000 -0.00000 345 ILE A HB   
337  H  HG12 . ILE A 26  ? 0.95512 0.95512 0.95512 -0.00000 -0.00000 -0.00000 345 ILE A HG12 
338  H  HG13 . ILE A 26  ? 0.95512 0.95512 0.95512 -0.00000 -0.00000 -0.00000 345 ILE A HG13 
339  H  HG21 . ILE A 26  ? 0.89868 0.89868 0.89868 0.00000  -0.00000 -0.00000 345 ILE A HG21 
340  H  HG22 . ILE A 26  ? 0.89868 0.89868 0.89868 0.00000  -0.00000 -0.00000 345 ILE A HG22 
341  H  HG23 . ILE A 26  ? 0.89868 0.89868 0.89868 0.00000  -0.00000 -0.00000 345 ILE A HG23 
342  H  HD11 . ILE A 26  ? 0.98231 0.98231 0.98231 -0.00000 0.00000  -0.00000 345 ILE A HD11 
343  H  HD12 . ILE A 26  ? 0.98231 0.98231 0.98231 -0.00000 0.00000  -0.00000 345 ILE A HD12 
344  H  HD13 . ILE A 26  ? 0.98231 0.98231 0.98231 -0.00000 0.00000  -0.00000 345 ILE A HD13 
345  N  N    . ILE A 27  ? 1.06389 1.25950 0.57871 -0.47246 0.04053  -0.03975 346 ILE A N    
346  C  CA   . ILE A 27  ? 1.03637 1.27524 0.52933 -0.46765 0.09138  -0.05490 346 ILE A CA   
347  C  C    . ILE A 27  ? 0.97471 1.25249 0.55473 -0.42624 0.11593  -0.06920 346 ILE A C    
348  O  O    . ILE A 27  ? 1.00610 1.30022 0.58089 -0.40228 0.15806  -0.10092 346 ILE A O    
349  C  CB   . ILE A 27  ? 1.07411 1.35541 0.54182 -0.50665 0.09953  -0.01984 346 ILE A CB   
350  C  CG1  . ILE A 27  ? 1.14573 1.39041 0.52048 -0.54680 0.07085  -0.00162 346 ILE A CG1  
351  C  CG2  . ILE A 27  ? 1.12314 1.45078 0.57452 -0.49959 0.15872  -0.04114 346 ILE A CG2  
352  C  CD1  . ILE A 27  ? 1.34524 1.62407 0.68715 -0.58642 0.07554  0.04067  346 ILE A CD1  
353  H  H    . ILE A 27  ? 1.16354 1.16354 1.16354 0.00000  -0.00000 -0.00000 346 ILE A H    
354  H  HA   . ILE A 27  ? 1.12287 1.12287 1.12287 -0.00000 0.00000  0.00000  346 ILE A HA   
355  H  HB   . ILE A 27  ? 1.17503 1.17503 1.17503 -0.00000 0.00000  0.00000  346 ILE A HB   
356  H  HG12 . ILE A 27  ? 1.20914 1.20914 1.20914 0.00000  -0.00000 -0.00000 346 ILE A HG12 
357  H  HG13 . ILE A 27  ? 1.20914 1.20914 1.20914 0.00000  -0.00000 -0.00000 346 ILE A HG13 
358  H  HG21 . ILE A 27  ? 1.24587 1.24587 1.24587 0.00000  0.00000  -0.00000 346 ILE A HG21 
359  H  HG22 . ILE A 27  ? 1.24587 1.24587 1.24587 0.00000  0.00000  -0.00000 346 ILE A HG22 
360  H  HG23 . ILE A 27  ? 1.24587 1.24587 1.24587 0.00000  0.00000  -0.00000 346 ILE A HG23 
361  H  HD11 . ILE A 27  ? 1.46529 1.46529 1.46529 -0.00000 0.00000  -0.00000 346 ILE A HD11 
362  H  HD12 . ILE A 27  ? 1.46529 1.46529 1.46529 -0.00000 0.00000  -0.00000 346 ILE A HD12 
363  H  HD13 . ILE A 27  ? 1.46529 1.46529 1.46529 -0.00000 0.00000  -0.00000 346 ILE A HD13 
364  N  N    . ALA A 28  ? 0.89095 1.18657 0.55290 -0.41840 0.08838  -0.04673 347 ALA A N    
365  C  CA   . ALA A 28  ? 0.83311 1.17213 0.57901 -0.38107 0.10384  -0.05710 347 ALA A CA   
366  C  C    . ALA A 28  ? 0.82677 1.16370 0.64391 -0.37183 0.06339  -0.03976 347 ALA A C    
367  O  O    . ALA A 28  ? 0.72762 1.05146 0.54970 -0.40174 0.02880  -0.01240 347 ALA A O    
368  C  CB   . ALA A 28  ? 0.83935 1.24925 0.61845 -0.39057 0.13570  -0.04899 347 ALA A CB   
369  H  H    . ALA A 28  ? 1.03866 1.03866 1.03866 0.00000  0.00000  0.00000  347 ALA A H    
370  H  HA   . ALA A 28  ? 1.02019 1.02019 1.02019 -0.00000 -0.00000 0.00000  347 ALA A HA   
371  H  HB1  . ALA A 28  ? 1.06931 1.06931 1.06931 0.00000  0.00000  -0.00000 347 ALA A HB1  
372  H  HB2  . ALA A 28  ? 1.06931 1.06931 1.06931 0.00000  0.00000  -0.00000 347 ALA A HB2  
373  H  HB3  . ALA A 28  ? 1.06931 1.06931 1.06931 0.00000  0.00000  -0.00000 347 ALA A HB3  
374  N  N    . PRO A 29  ? 0.70297 1.05422 0.57765 -0.32969 0.06640  -0.05555 348 PRO A N    
375  C  CA   . PRO A 29  ? 0.72985 1.09549 0.60746 -0.29096 0.10420  -0.08615 348 PRO A CA   
376  C  C    . PRO A 29  ? 0.78224 1.08014 0.59644 -0.27489 0.11411  -0.11134 348 PRO A C    
377  O  O    . PRO A 29  ? 0.78867 1.02956 0.56381 -0.29093 0.08854  -0.10585 348 PRO A O    
378  C  CB   . PRO A 29  ? 0.67118 1.06979 0.63160 -0.25404 0.09055  -0.08640 348 PRO A CB   
379  C  CG   . PRO A 29  ? 0.61880 0.97403 0.58170 -0.26515 0.04599  -0.06847 348 PRO A CG   
380  C  CD   . PRO A 29  ? 0.62897 0.98298 0.56747 -0.31710 0.03204  -0.04452 348 PRO A CD   
381  H  HA   . PRO A 29  ? 0.95961 0.95961 0.95961 -0.00000 -0.00000 -0.00000 348 PRO A HA   
382  H  HB2  . PRO A 29  ? 0.95173 0.95173 0.95173 -0.00000 0.00000  0.00000  348 PRO A HB2  
383  H  HB3  . PRO A 29  ? 0.95173 0.95173 0.95173 -0.00000 0.00000  0.00000  348 PRO A HB3  
384  H  HG2  . PRO A 29  ? 0.85630 0.85630 0.85630 0.00000  -0.00000 -0.00000 348 PRO A HG2  
385  H  HG3  . PRO A 29  ? 0.85630 0.85630 0.85630 0.00000  -0.00000 -0.00000 348 PRO A HG3  
386  H  HD2  . PRO A 29  ? 0.85826 0.85826 0.85826 -0.00000 -0.00000 -0.00000 348 PRO A HD2  
387  H  HD3  . PRO A 29  ? 0.85826 0.85826 0.85826 -0.00000 -0.00000 -0.00000 348 PRO A HD3  
388  N  N    . LYS A 30  ? 0.81776 1.12315 0.63299 -0.24178 0.15063  -0.14044 349 LYS A N    
389  C  CA   . LYS A 30  ? 0.86726 1.11014 0.63968 -0.21980 0.16405  -0.16819 349 LYS A CA   
390  C  C    . LYS A 30  ? 0.82846 1.02995 0.63013 -0.18906 0.13901  -0.16301 349 LYS A C    
391  O  O    . LYS A 30  ? 0.85392 0.98790 0.61589 -0.19136 0.13029  -0.17053 349 LYS A O    
392  C  CB   . LYS A 30  ? 0.91658 1.18250 0.69653 -0.18936 0.21222  -0.20202 349 LYS A CB   
393  C  CG   . LYS A 30  ? 0.95837 1.28598 0.82677 -0.14806 0.22169  -0.20238 349 LYS A CG   
394  C  CD   . LYS A 30  ? 1.11808 1.46044 1.00522 -0.11065 0.26693  -0.23869 349 LYS A CD   
395  C  CE   . LYS A 30  ? 1.01952 1.43496 0.99990 -0.07393 0.27329  -0.23833 349 LYS A CE   
396  N  NZ   . LYS A 30  ? 0.97371 1.37452 0.99924 -0.03418 0.23988  -0.22352 349 LYS A NZ   
397  H  H    . LYS A 30  ? 1.01605 1.01605 1.01605 -0.00000 -0.00000 0.00000  349 LYS A H    
398  H  HA   . LYS A 30  ? 1.03872 1.03872 1.03872 0.00000  -0.00000 -0.00000 349 LYS A HA   
399  H  HB2  . LYS A 30  ? 1.10474 1.10474 1.10474 -0.00000 -0.00000 -0.00000 349 LYS A HB2  
400  H  HB3  . LYS A 30  ? 1.10474 1.10474 1.10474 -0.00000 -0.00000 -0.00000 349 LYS A HB3  
401  H  HG2  . LYS A 30  ? 1.23115 1.23115 1.23115 0.00000  0.00000  -0.00000 349 LYS A HG2  
402  H  HG3  . LYS A 30  ? 1.23115 1.23115 1.23115 0.00000  0.00000  -0.00000 349 LYS A HG3  
403  H  HD2  . LYS A 30  ? 1.43620 1.43620 1.43620 -0.00000 0.00000  0.00000  349 LYS A HD2  
404  H  HD3  . LYS A 30  ? 1.43620 1.43620 1.43620 -0.00000 0.00000  0.00000  349 LYS A HD3  
405  H  HE2  . LYS A 30  ? 1.38446 1.38446 1.38446 -0.00000 0.00000  0.00000  349 LYS A HE2  
406  H  HE3  . LYS A 30  ? 1.38446 1.38446 1.38446 -0.00000 0.00000  0.00000  349 LYS A HE3  
407  H  HZ1  . LYS A 30  ? 1.34169 1.34169 1.34169 0.00000  0.00000  -0.00000 349 LYS A HZ1  
408  H  HZ2  . LYS A 30  ? 1.34169 1.34169 1.34169 0.00000  0.00000  -0.00000 349 LYS A HZ2  
409  H  HZ3  . LYS A 30  ? 1.34169 1.34169 1.34169 0.00000  0.00000  -0.00000 349 LYS A HZ3  
410  N  N    . GLU A 31  ? 0.77174 1.01586 0.64293 -0.16075 0.12849  -0.15097 350 GLU A N    
411  C  CA   . GLU A 31  ? 0.74465 0.95831 0.64204 -0.12569 0.11022  -0.14540 350 GLU A CA   
412  C  C    . GLU A 31  ? 0.70787 0.96824 0.65970 -0.12988 0.07820  -0.12091 350 GLU A C    
413  O  O    . GLU A 31  ? 0.64395 0.96761 0.62999 -0.14709 0.07795  -0.11388 350 GLU A O    
414  C  CB   . GLU A 31  ? 0.76879 0.99045 0.69672 -0.07271 0.13467  -0.16292 350 GLU A CB   
415  C  CG   . GLU A 31  ? 1.01376 1.18811 0.90118 -0.06141 0.16907  -0.19255 350 GLU A CG   
416  C  CD   . GLU A 31  ? 1.04288 1.20828 0.96616 -0.00487 0.18784  -0.20626 350 GLU A CD   
417  O  OE1  . GLU A 31  ? 1.12698 1.26214 1.06671 0.02376  0.16829  -0.19004 350 GLU A OE1  
418  O  OE2  . GLU A 31  ? 0.95384 1.14146 0.88874 0.01092  0.22283  -0.23259 350 GLU A OE2  
419  H  H    . GLU A 31  ? 0.95870 0.95870 0.95870 -0.00000 0.00000  -0.00000 350 GLU A H    
420  H  HA   . GLU A 31  ? 0.92449 0.92449 0.92449 -0.00000 -0.00000 0.00000  350 GLU A HA   
421  H  HB2  . GLU A 31  ? 0.96888 0.96888 0.96888 -0.00000 0.00000  0.00000  350 GLU A HB2  
422  H  HB3  . GLU A 31  ? 0.96888 0.96888 0.96888 -0.00000 0.00000  0.00000  350 GLU A HB3  
423  H  HG2  . GLU A 31  ? 1.24392 1.24392 1.24392 0.00000  0.00000  0.00000  350 GLU A HG2  
424  H  HG3  . GLU A 31  ? 1.24392 1.24392 1.24392 0.00000  0.00000  0.00000  350 GLU A HG3  
425  N  N    . TYR A 32  ? 0.64309 0.87205 0.60364 -0.11629 0.05316  -0.10934 351 TYR A N    
426  C  CA   . TYR A 32  ? 0.62718 0.90324 0.64158 -0.11399 0.02524  -0.09298 351 TYR A CA   
427  C  C    . TYR A 32  ? 0.57448 0.82180 0.59482 -0.07609 0.01347  -0.08829 351 TYR A C    
428  O  O    . TYR A 32  ? 0.61834 0.80164 0.60108 -0.05887 0.02559  -0.09336 351 TYR A O    
429  C  CB   . TYR A 32  ? 0.54224 0.81911 0.55796 -0.16201 -0.00104 -0.07692 351 TYR A CB   
430  C  CG   . TYR A 32  ? 0.53472 0.74847 0.52582 -0.17443 -0.02316 -0.06896 351 TYR A CG   
431  C  CD1  . TYR A 32  ? 0.58081 0.72435 0.51511 -0.18638 -0.01579 -0.07577 351 TYR A CD1  
432  C  CD2  . TYR A 32  ? 0.50680 0.73452 0.53590 -0.17640 -0.05050 -0.05794 351 TYR A CD2  
433  C  CE1  . TYR A 32  ? 0.61670 0.70566 0.53702 -0.20019 -0.03463 -0.07026 351 TYR A CE1  
434  C  CE2  . TYR A 32  ? 0.47729 0.65060 0.48954 -0.19118 -0.06739 -0.05250 351 TYR A CE2  
435  C  CZ   . TYR A 32  ? 0.52239 0.62591 0.48236 -0.20151 -0.05878 -0.05807 351 TYR A CZ   
436  O  OH   . TYR A 32  ? 0.68209 0.73145 0.63144 -0.21643 -0.07317 -0.05510 351 TYR A OH   
437  H  H    . TYR A 32  ? 0.83400 0.83400 0.83400 -0.00000 -0.00000 0.00000  351 TYR A H    
438  H  HA   . TYR A 32  ? 0.87150 0.87150 0.87150 -0.00000 -0.00000 -0.00000 351 TYR A HA   
439  H  HB2  . TYR A 32  ? 0.75422 0.75422 0.75422 -0.00000 -0.00000 0.00000  351 TYR A HB2  
440  H  HB3  . TYR A 32  ? 0.75422 0.75422 0.75422 -0.00000 -0.00000 0.00000  351 TYR A HB3  
441  H  HD1  . TYR A 32  ? 0.71460 0.71460 0.71460 -0.00000 0.00000  -0.00000 351 TYR A HD1  
442  H  HD2  . TYR A 32  ? 0.71359 0.71359 0.71359 0.00000  -0.00000 -0.00000 351 TYR A HD2  
443  H  HE1  . TYR A 32  ? 0.74645 0.74645 0.74645 -0.00000 -0.00000 -0.00000 351 TYR A HE1  
444  H  HE2  . TYR A 32  ? 0.63346 0.63346 0.63346 0.00000  0.00000  -0.00000 351 TYR A HE2  
445  H  HH   . TYR A 32  ? 0.82069 0.82069 0.82069 -0.00000 -0.00000 0.00000  351 TYR A HH   
446  N  N    . GLU A 33  ? 0.52681 0.82391 0.59487 -0.06377 -0.00878 -0.07925 352 GLU A N    
447  C  CA   . GLU A 33  ? 0.52288 0.80382 0.59379 -0.03076 -0.02353 -0.07100 352 GLU A CA   
448  C  C    . GLU A 33  ? 0.49474 0.74158 0.55253 -0.06096 -0.04610 -0.06017 352 GLU A C    
449  O  O    . GLU A 33  ? 0.49802 0.78826 0.59245 -0.08363 -0.06728 -0.05677 352 GLU A O    
450  C  CB   . GLU A 33  ? 0.51151 0.87296 0.64000 -0.00106 -0.03689 -0.07164 352 GLU A CB   
451  C  CG   . GLU A 33  ? 0.50284 0.85105 0.62431 0.03744  -0.05211 -0.06141 352 GLU A CG   
452  C  CD   . GLU A 33  ? 0.56550 0.86282 0.65615 0.07984  -0.03252 -0.05870 352 GLU A CD   
453  O  OE1  . GLU A 33  ? 0.76379 1.08085 0.87206 0.10065  -0.01281 -0.07021 352 GLU A OE1  
454  O  OE2  . GLU A 33  ? 0.73650 0.97022 0.78763 0.08991  -0.03407 -0.04560 352 GLU A OE2  
455  H  H    . GLU A 33  ? 0.76473 0.76473 0.76473 -0.00000 0.00000  -0.00000 352 GLU A H    
456  H  HA   . GLU A 33  ? 0.75469 0.75469 0.75469 -0.00000 -0.00000 -0.00000 352 GLU A HA   
457  H  HB2  . GLU A 33  ? 0.81249 0.81249 0.81249 -0.00000 -0.00000 -0.00000 352 GLU A HB2  
458  H  HB3  . GLU A 33  ? 0.81249 0.81249 0.81249 -0.00000 -0.00000 -0.00000 352 GLU A HB3  
459  H  HG2  . GLU A 33  ? 0.77777 0.77777 0.77777 -0.00000 0.00000  0.00000  352 GLU A HG2  
460  H  HG3  . GLU A 33  ? 0.77777 0.77777 0.77777 -0.00000 0.00000  0.00000  352 GLU A HG3  
461  N  N    . ALA A 34  ? 0.52887 0.69696 0.54049 -0.06170 -0.03976 -0.05700 353 ALA A N    
462  C  CA   . ALA A 34  ? 0.51190 0.64282 0.51388 -0.09019 -0.05686 -0.04958 353 ALA A CA   
463  C  C    . ALA A 34  ? 0.50043 0.63145 0.50845 -0.06487 -0.06822 -0.03994 353 ALA A C    
464  O  O    . ALA A 34  ? 0.53211 0.66112 0.55135 -0.08697 -0.08506 -0.03648 353 ALA A O    
465  C  CB   . ALA A 34  ? 0.55236 0.60071 0.50692 -0.10553 -0.04337 -0.05354 353 ALA A CB   
466  H  H    . ALA A 34  ? 0.69302 0.69302 0.69302 -0.00000 0.00000  0.00000  353 ALA A H    
467  H  HA   . ALA A 34  ? 0.67014 0.67014 0.67014 0.00000  -0.00000 -0.00000 353 ALA A HA   
468  H  HB1  . ALA A 34  ? 0.65048 0.65048 0.65048 -0.00000 0.00000  0.00000  353 ALA A HB1  
469  H  HB2  . ALA A 34  ? 0.65048 0.65048 0.65048 -0.00000 0.00000  0.00000  353 ALA A HB2  
470  H  HB3  . ALA A 34  ? 0.65048 0.65048 0.65048 -0.00000 0.00000  0.00000  353 ALA A HB3  
471  N  N    . TYR A 35  ? 0.53931 0.66287 0.53413 -0.01964 -0.05623 -0.03573 354 TYR A N    
472  C  CA   . TYR A 35  ? 0.55303 0.66641 0.53677 0.00939  -0.06372 -0.02200 354 TYR A CA   
473  C  C    . TYR A 35  ? 0.57913 0.60986 0.52518 -0.00625 -0.05540 -0.01437 354 TYR A C    
474  O  O    . TYR A 35  ? 0.57441 0.56679 0.51279 -0.04245 -0.05120 -0.02212 354 TYR A O    
475  C  CB   . TYR A 35  ? 0.56547 0.75151 0.58577 0.00676  -0.09012 -0.02261 354 TYR A CB   
476  C  CG   . TYR A 35  ? 0.47876 0.75136 0.54524 0.02452  -0.10025 -0.03124 354 TYR A CG   
477  C  CD1  . TYR A 35  ? 0.51006 0.80919 0.57867 0.07381  -0.10062 -0.02632 354 TYR A CD1  
478  C  CD2  . TYR A 35  ? 0.46516 0.79376 0.57869 -0.00818 -0.11043 -0.04332 354 TYR A CD2  
479  C  CE1  . TYR A 35  ? 0.48690 0.87016 0.60714 0.08979  -0.11096 -0.03720 354 TYR A CE1  
480  C  CE2  . TYR A 35  ? 0.40450 0.81417 0.56860 0.00542  -0.11753 -0.05286 354 TYR A CE2  
481  C  CZ   . TYR A 35  ? 0.43289 0.87213 0.60228 0.05440  -0.11797 -0.05180 354 TYR A CZ   
482  O  OH   . TYR A 35  ? 0.59389 1.11735 0.82186 0.06761  -0.12566 -0.06411 354 TYR A OH   
483  H  H    . TYR A 35  ? 0.68101 0.68101 0.68101 0.00000  0.00000  -0.00000 354 TYR A H    
484  H  HA   . TYR A 35  ? 0.68897 0.68897 0.68897 -0.00000 0.00000  -0.00000 354 TYR A HA   
485  H  HB2  . TYR A 35  ? 0.76380 0.76380 0.76380 0.00000  -0.00000 -0.00000 354 TYR A HB2  
486  H  HB3  . TYR A 35  ? 0.76380 0.76380 0.76380 0.00000  -0.00000 -0.00000 354 TYR A HB3  
487  H  HD1  . TYR A 35  ? 0.74566 0.74566 0.74566 -0.00000 -0.00000 -0.00000 354 TYR A HD1  
488  H  HD2  . TYR A 35  ? 0.73775 0.73775 0.73775 -0.00000 0.00000  0.00000  354 TYR A HD2  
489  H  HE1  . TYR A 35  ? 0.77217 0.77217 0.77217 -0.00000 0.00000  0.00000  354 TYR A HE1  
490  H  HE2  . TYR A 35  ? 0.70140 0.70140 0.70140 -0.00000 0.00000  -0.00000 354 TYR A HE2  
491  H  HH   . TYR A 35  ? 1.01595 1.01595 1.01595 -0.00000 -0.00000 0.00000  354 TYR A HH   
492  N  N    . GLU A 36  ? 0.61592 0.61846 0.53748 0.02397  -0.05148 0.00168  355 GLU A N    
493  C  CA   . GLU A 36  ? 0.64811 0.57160 0.53672 0.01205  -0.03901 0.01116  355 GLU A CA   
494  C  C    . GLU A 36  ? 0.73462 0.66970 0.60879 0.03211  -0.04666 0.02828  355 GLU A C    
495  O  O    . GLU A 36  ? 0.66731 0.65556 0.54591 0.06656  -0.05854 0.03528  355 GLU A O    
496  C  CB   . GLU A 36  ? 0.71573 0.56225 0.57435 0.03193  -0.01198 0.01616  355 GLU A CB   
497  C  CG   . GLU A 36  ? 0.76301 0.61602 0.61386 0.08640  -0.00504 0.03052  355 GLU A CG   
498  C  CD   . GLU A 36  ? 0.83837 0.60173 0.66202 0.10678  0.02282  0.03995  355 GLU A CD   
499  O  OE1  . GLU A 36  ? 1.03949 0.74108 0.85256 0.07580  0.03705  0.02984  355 GLU A OE1  
500  O  OE2  . GLU A 36  ? 0.93034 0.68610 0.74809 0.15357  0.02881  0.05686  355 GLU A OE2  
501  H  H    . GLU A 36  ? 0.69524 0.69524 0.69524 0.00000  -0.00000 -0.00000 355 GLU A H    
502  H  HA   . GLU A 36  ? 0.68906 0.68906 0.68906 0.00000  0.00000  -0.00000 355 GLU A HA   
503  H  HB2  . GLU A 36  ? 0.72743 0.72743 0.72743 -0.00000 -0.00000 -0.00000 355 GLU A HB2  
504  H  HB3  . GLU A 36  ? 0.72743 0.72743 0.72743 -0.00000 -0.00000 -0.00000 355 GLU A HB3  
505  H  HG2  . GLU A 36  ? 0.78365 0.78365 0.78365 0.00000  0.00000  0.00000  355 GLU A HG2  
506  H  HG3  . GLU A 36  ? 0.78365 0.78365 0.78365 0.00000  0.00000  0.00000  355 GLU A HG3  
507  N  N    . CYS A 37  ? 0.66670 0.55682 0.52521 0.00968  -0.04022 0.03290  356 CYS A N    
508  C  CA   . CYS A 37  ? 0.68910 0.58481 0.52370 0.02567  -0.04224 0.04915  356 CYS A CA   
509  C  C    . CYS A 37  ? 0.77120 0.58523 0.55912 0.05207  -0.01579 0.07466  356 CYS A C    
510  O  O    . CYS A 37  ? 0.85033 0.59259 0.63197 0.03035  0.00466  0.07298  356 CYS A O    
511  C  CB   . CYS A 37  ? 0.67369 0.57790 0.52644 -0.01575 -0.04866 0.03666  356 CYS A CB   
512  S  SG   . CYS A 37  ? 0.55886 0.56053 0.47338 -0.04137 -0.08099 0.01054  356 CYS A SG   
513  H  H    . CYS A 37  ? 0.68598 0.68598 0.68598 -0.00000 0.00000  -0.00000 356 CYS A H    
514  H  HA   . CYS A 37  ? 0.70553 0.70553 0.70553 -0.00000 0.00000  0.00000  356 CYS A HA   
515  H  HB2  . CYS A 37  ? 0.71391 0.71391 0.71391 -0.00000 -0.00000 -0.00000 356 CYS A HB2  
516  H  HB3  . CYS A 37  ? 0.71391 0.71391 0.71391 -0.00000 -0.00000 -0.00000 356 CYS A HB3  
517  N  N    . LYS A 38  ? 0.81879 0.64543 0.57929 0.09797  -0.01813 0.09755  357 LYS A N    
518  C  CA   . LYS A 38  ? 0.90646 0.65387 0.62474 0.12856  0.00647  0.12796  357 LYS A CA   
519  C  C    . LYS A 38  ? 0.95130 0.71153 0.62616 0.15273  0.00176  0.15578  357 LYS A C    
520  O  O    . LYS A 38  ? 0.92184 0.76321 0.60174 0.16255  -0.02499 0.14995  357 LYS A O    
521  C  CB   . LYS A 38  ? 0.93588 0.68345 0.66371 0.16914  0.00725  0.13272  357 LYS A CB   
522  C  CG   . LYS A 38  ? 1.20290 0.85573 0.91095 0.19067  0.03688  0.15166  357 LYS A CG   
523  C  CD   . LYS A 38  ? 1.08999 0.74945 0.82191 0.22526  0.03851  0.14591  357 LYS A CD   
524  C  CE   . LYS A 38  ? 1.46735 1.02890 1.18949 0.24340  0.06962  0.15859  357 LYS A CE   
525  N  NZ   . LYS A 38  ? 1.44305 1.01531 1.19547 0.27784  0.07277  0.14795  357 LYS A NZ   
526  H  H    . LYS A 38  ? 0.80390 0.80390 0.80390 0.00000  -0.00000 -0.00000 357 LYS A H    
527  H  HA   . LYS A 38  ? 0.86052 0.86052 0.86052 0.00000  0.00000  -0.00000 357 LYS A HA   
528  H  HB2  . LYS A 38  ? 0.89971 0.89971 0.89971 -0.00000 0.00000  0.00000  357 LYS A HB2  
529  H  HB3  . LYS A 38  ? 0.89971 0.89971 0.89971 -0.00000 0.00000  0.00000  357 LYS A HB3  
530  H  HG2  . LYS A 38  ? 1.19053 1.19053 1.19053 -0.00000 0.00000  -0.00000 357 LYS A HG2  
531  H  HG3  . LYS A 38  ? 1.19053 1.19053 1.19053 -0.00000 0.00000  -0.00000 357 LYS A HG3  
532  H  HD2  . LYS A 38  ? 1.06724 1.06724 1.06724 -0.00000 -0.00000 0.00000  357 LYS A HD2  
533  H  HD3  . LYS A 38  ? 1.06724 1.06724 1.06724 -0.00000 -0.00000 0.00000  357 LYS A HD3  
534  H  HE2  . LYS A 38  ? 1.47699 1.47699 1.47699 -0.00000 0.00000  -0.00000 357 LYS A HE2  
535  H  HE3  . LYS A 38  ? 1.47699 1.47699 1.47699 -0.00000 0.00000  -0.00000 357 LYS A HE3  
536  H  HZ1  . LYS A 38  ? 1.46424 1.46424 1.46424 0.00000  -0.00000 -0.00000 357 LYS A HZ1  
537  H  HZ2  . LYS A 38  ? 1.46424 1.46424 1.46424 0.00000  -0.00000 -0.00000 357 LYS A HZ2  
538  H  HZ3  . LYS A 38  ? 1.46424 1.46424 1.46424 0.00000  -0.00000 -0.00000 357 LYS A HZ3  
539  N  N    . GLY A 39  ? 0.75942 0.65315 0.70333 0.29159  0.19220  0.31785  358 GLY A N    
540  C  CA   . GLY A 39  ? 0.94852 0.92350 0.93479 0.28013  0.17712  0.33610  358 GLY A CA   
541  C  C    . GLY A 39  ? 0.90400 0.82490 0.86596 0.25304  0.15214  0.30345  358 GLY A C    
542  O  O    . GLY A 39  ? 1.00215 0.83254 0.92637 0.23791  0.14200  0.27137  358 GLY A O    
543  H  H    . GLY A 39  ? 0.84906 0.84906 0.84906 0.00000  0.00000  -0.00000 358 GLY A H    
544  H  HA2  . GLY A 39  ? 1.12543 1.12543 1.12543 -0.00000 0.00000  0.00000  358 GLY A HA2  
545  H  HA3  . GLY A 39  ? 1.12543 1.12543 1.12543 -0.00000 0.00000  0.00000  358 GLY A HA3  
546  N  N    . GLY A 40  ? 1.13035 1.11541 1.11633 0.24929  0.14333  0.31687  359 GLY A N    
547  C  CA   . GLY A 40  ? 1.23867 1.18694 1.20750 0.22848  0.12404  0.29860  359 GLY A CA   
548  C  C    . GLY A 40  ? 0.67467 0.68965 0.67491 0.18875  0.09514  0.26729  359 GLY A C    
549  O  O    . GLY A 40  ? 0.92083 1.01594 0.95814 0.17799  0.08694  0.26458  359 GLY A O    
550  H  H    . GLY A 40  ? 1.34754 1.34754 1.34754 -0.00000 -0.00000 0.00000  359 GLY A H    
551  H  HA2  . GLY A 40  ? 1.45595 1.45595 1.45595 -0.00000 -0.00000 -0.00000 359 GLY A HA2  
552  H  HA3  . GLY A 40  ? 1.45595 1.45595 1.45595 -0.00000 -0.00000 -0.00000 359 GLY A HA3  
553  N  N    . CYS A 41  ? 0.63601 0.60941 0.61810 0.16833  0.07898  0.24437  360 CYS A N    
554  C  CA   . CYS A 41  ? 0.72894 0.76466 0.72929 0.14201  0.05357  0.21595  360 CYS A CA   
555  C  C    . CYS A 41  ? 0.80615 0.88410 0.81072 0.14914  0.05159  0.23834  360 CYS A C    
556  O  O    . CYS A 41  ? 0.94415 0.96349 0.93134 0.14417  0.05162  0.24439  360 CYS A O    
557  C  CB   . CYS A 41  ? 0.55098 0.52082 0.52985 0.11967  0.04042  0.17801  360 CYS A CB   
558  S  SG   . CYS A 41  ? 0.62119 0.54685 0.59755 0.11256  0.04466  0.15821  360 CYS A SG   
559  H  H    . CYS A 41  ? 0.74811 0.74811 0.74811 0.00000  -0.00000 -0.00000 360 CYS A H    
560  H  HA   . CYS A 41  ? 0.89186 0.89186 0.89186 -0.00000 0.00000  -0.00000 360 CYS A HA   
561  H  HB2  . CYS A 41  ? 0.62715 0.62715 0.62715 -0.00000 0.00000  -0.00000 360 CYS A HB2  
562  H  HB3  . CYS A 41  ? 0.62715 0.62715 0.62715 -0.00000 0.00000  -0.00000 360 CYS A HB3  
563  N  N    . PHE A 42  ? 0.54347 0.71283 0.57142 0.16402  0.05369  0.26157  361 PHE A N    
564  C  CA   . PHE A 42  ? 0.55190 0.77878 0.58618 0.17431  0.05304  0.28698  361 PHE A CA   
565  C  C    . PHE A 42  ? 0.54289 0.88932 0.59536 0.18005  0.03798  0.28263  361 PHE A C    
566  O  O    . PHE A 42  ? 0.51269 0.89871 0.58086 0.17688  0.02981  0.27300  361 PHE A O    
567  C  CB   . PHE A 42  ? 0.71678 0.90829 0.74781 0.19888  0.07688  0.33647  361 PHE A CB   
568  C  CG   . PHE A 42  ? 0.73078 0.94625 0.77143 0.22553  0.09460  0.36032  361 PHE A CG   
569  C  CD1  . PHE A 42  ? 0.82837 1.15501 0.89552 0.24464  0.09671  0.38790  361 PHE A CD1  
570  C  CD2  . PHE A 42  ? 0.75671 0.89256 0.77883 0.23611  0.10990  0.35809  361 PHE A CD2  
571  C  CE1  . PHE A 42  ? 0.95595 1.31823 1.03814 0.27184  0.11410  0.41703  361 PHE A CE1  
572  C  CE2  . PHE A 42  ? 0.79687 0.96749 0.83015 0.26797  0.13065  0.38804  361 PHE A CE2  
573  C  CZ   . PHE A 42  ? 0.87816 1.16476 0.94535 0.28413  0.13248  0.41847  361 PHE A CZ   
574  H  H    . PHE A 42  ? 0.71758 0.71758 0.71758 -0.00000 0.00000  0.00000  361 PHE A H    
575  H  HA   . PHE A 42  ? 0.76945 0.76945 0.76945 -0.00000 -0.00000 -0.00000 361 PHE A HA   
576  H  HB2  . PHE A 42  ? 0.95186 0.95186 0.95186 -0.00000 -0.00000 -0.00000 361 PHE A HB2  
577  H  HB3  . PHE A 42  ? 0.95186 0.95186 0.95186 -0.00000 -0.00000 -0.00000 361 PHE A HB3  
578  H  HD1  . PHE A 42  ? 1.15426 1.15426 1.15426 0.00000  0.00000  0.00000  361 PHE A HD1  
579  H  HD2  . PHE A 42  ? 0.97394 0.97394 0.97394 0.00000  -0.00000 0.00000  361 PHE A HD2  
580  H  HE1  . PHE A 42  ? 1.32763 1.32763 1.32763 -0.00000 0.00000  -0.00000 361 PHE A HE1  
581  H  HE2  . PHE A 42  ? 1.04050 1.04050 1.04050 0.00000  0.00000  -0.00000 361 PHE A HE2  
582  H  HZ   . PHE A 42  ? 1.19801 1.19801 1.19801 0.00000  0.00000  -0.00000 361 PHE A HZ   
583  N  N    . PHE A 43  ? 0.51846 0.92578 0.56958 0.19062  0.03436  0.29721  362 PHE A N    
584  C  CA   . PHE A 43  ? 0.51183 1.03038 0.56693 0.20282  0.01765  0.29253  362 PHE A CA   
585  C  C    . PHE A 43  ? 0.51964 1.10356 0.59654 0.22746  0.03137  0.33832  362 PHE A C    
586  O  O    . PHE A 43  ? 0.55146 1.10862 0.63359 0.24377  0.05625  0.38248  362 PHE A O    
587  C  CB   . PHE A 43  ? 0.51373 1.07906 0.55120 0.21350  0.01119  0.29159  362 PHE A CB   
588  C  CG   . PHE A 43  ? 0.50986 1.02508 0.52523 0.19675  -0.00140 0.24991  362 PHE A CG   
589  C  CD1  . PHE A 43  ? 0.51481 1.03100 0.50902 0.18746  -0.02806 0.19733  362 PHE A CD1  
590  C  CD2  . PHE A 43  ? 0.60848 1.06987 0.62506 0.18827  0.01063  0.26463  362 PHE A CD2  
591  C  CE1  . PHE A 43  ? 0.51798 0.98357 0.48822 0.17738  -0.03774 0.16050  362 PHE A CE1  
592  C  CE2  . PHE A 43  ? 0.58631 1.00993 0.58457 0.17608  -0.00023 0.22949  362 PHE A CE2  
593  C  CZ   . PHE A 43  ? 0.50962 0.93317 0.48255 0.17353  -0.02216 0.17671  362 PHE A CZ   
594  H  H    . PHE A 43  ? 0.79202 0.79202 0.79202 -0.00000 -0.00000 -0.00000 362 PHE A H    
595  H  HA   . PHE A 43  ? 0.83015 0.83015 0.83015 0.00000  -0.00000 0.00000  362 PHE A HA   
596  H  HB2  . PHE A 43  ? 0.84409 0.84409 0.84409 -0.00000 0.00000  0.00000  362 PHE A HB2  
597  H  HB3  . PHE A 43  ? 0.84409 0.84409 0.84409 -0.00000 0.00000  0.00000  362 PHE A HB3  
598  H  HD1  . PHE A 43  ? 0.80843 0.80843 0.80843 -0.00000 -0.00000 0.00000  362 PHE A HD1  
599  H  HD2  . PHE A 43  ? 0.92406 0.92406 0.92406 0.00000  0.00000  -0.00000 362 PHE A HD2  
600  H  HE1  . PHE A 43  ? 0.78240 0.78240 0.78240 0.00000  -0.00000 -0.00000 362 PHE A HE1  
601  H  HE2  . PHE A 43  ? 0.87502 0.87502 0.87502 -0.00000 -0.00000 -0.00000 362 PHE A HE2  
602  H  HZ   . PHE A 43  ? 0.75663 0.75663 0.75663 -0.00000 -0.00000 -0.00000 362 PHE A HZ   
603  N  N    . PRO A 44  ? 0.51649 1.18427 0.60546 0.22985  0.01231  0.32965  363 PRO A N    
604  C  CA   . PRO A 44  ? 0.51573 1.20127 0.59365 0.20702  -0.02441 0.27640  363 PRO A CA   
605  C  C    . PRO A 44  ? 0.50907 1.12901 0.60223 0.17718  -0.02993 0.25260  363 PRO A C    
606  O  O    . PRO A 44  ? 0.50543 1.12022 0.62748 0.18008  -0.01161 0.28213  363 PRO A O    
607  C  CB   . PRO A 44  ? 0.53077 1.33145 0.61930 0.21994  -0.04519 0.28744  363 PRO A CB   
608  C  CG   . PRO A 44  ? 0.52191 1.34967 0.64574 0.24013  -0.01482 0.34547  363 PRO A CG   
609  C  CD   . PRO A 44  ? 0.52308 1.27131 0.63675 0.25455  0.02212  0.37398  363 PRO A CD   
610  H  HA   . PRO A 44  ? 0.91075 0.91075 0.91075 -0.00000 0.00000  0.00000  363 PRO A HA   
611  H  HB2  . PRO A 44  ? 0.99531 0.99531 0.99531 -0.00000 0.00000  -0.00000 363 PRO A HB2  
612  H  HB3  . PRO A 44  ? 0.99531 0.99531 0.99531 -0.00000 0.00000  -0.00000 363 PRO A HB3  
613  H  HG2  . PRO A 44  ? 1.00373 1.00373 1.00373 0.00000  0.00000  -0.00000 363 PRO A HG2  
614  H  HG3  . PRO A 44  ? 1.00373 1.00373 1.00373 0.00000  0.00000  -0.00000 363 PRO A HG3  
615  H  HD2  . PRO A 44  ? 0.95895 0.95895 0.95895 -0.00000 0.00000  0.00000  363 PRO A HD2  
616  H  HD3  . PRO A 44  ? 0.95895 0.95895 0.95895 -0.00000 0.00000  0.00000  363 PRO A HD3  
617  N  N    . LEU A 45  ? 0.51392 1.08947 0.58614 0.15306  -0.05444 0.20233  364 LEU A N    
618  C  CA   . LEU A 45  ? 0.74506 1.25623 0.83126 0.12411  -0.05936 0.18200  364 LEU A CA   
619  C  C    . LEU A 45  ? 0.81593 1.38590 0.93794 0.10229  -0.08685 0.18111  364 LEU A C    
620  O  O    . LEU A 45  ? 0.67864 1.32915 0.80196 0.10308  -0.11589 0.17691  364 LEU A O    
621  C  CB   . LEU A 45  ? 0.55092 0.99100 0.60015 0.10909  -0.07511 0.13249  364 LEU A CB   
622  C  CG   . LEU A 45  ? 0.64584 1.02333 0.67243 0.12101  -0.04972 0.13803  364 LEU A CG   
623  C  CD1  . LEU A 45  ? 0.85176 1.18851 0.84415 0.11380  -0.06669 0.09482  364 LEU A CD1  
624  C  CD2  . LEU A 45  ? 0.75414 1.05062 0.79174 0.11621  -0.02160 0.15757  364 LEU A CD2  
625  H  H    . LEU A 45  ? 0.86230 0.86230 0.86230 -0.00000 0.00000  0.00000  364 LEU A H    
626  H  HA   . LEU A 45  ? 1.13572 1.13572 1.13572 0.00000  0.00000  0.00000  364 LEU A HA   
627  H  HB2  . LEU A 45  ? 0.85953 0.85953 0.85953 -0.00000 -0.00000 -0.00000 364 LEU A HB2  
628  H  HB3  . LEU A 45  ? 0.85953 0.85953 0.85953 -0.00000 -0.00000 -0.00000 364 LEU A HB3  
629  H  HG   . LEU A 45  ? 0.93934 0.93934 0.93934 -0.00000 -0.00000 -0.00000 364 LEU A HG   
630  H  HD11 . LEU A 45  ? 1.15647 1.15647 1.15647 -0.00000 -0.00000 -0.00000 364 LEU A HD11 
631  H  HD12 . LEU A 45  ? 1.15647 1.15647 1.15647 -0.00000 -0.00000 -0.00000 364 LEU A HD12 
632  H  HD13 . LEU A 45  ? 1.15647 1.15647 1.15647 -0.00000 -0.00000 -0.00000 364 LEU A HD13 
633  H  HD21 . LEU A 45  ? 1.04130 1.04130 1.04130 -0.00000 0.00000  -0.00000 364 LEU A HD21 
634  H  HD22 . LEU A 45  ? 1.04130 1.04130 1.04130 -0.00000 0.00000  -0.00000 364 LEU A HD22 
635  H  HD23 . LEU A 45  ? 1.04130 1.04130 1.04130 -0.00000 0.00000  -0.00000 364 LEU A HD23 
636  N  N    . ALA A 46  ? 1.32602 1.86187 1.47962 0.08302  -0.07858 0.19038  365 ALA A N    
637  C  CA   . ALA A 46  ? 0.94119 1.52894 1.13843 0.05174  -0.10903 0.19225  365 ALA A CA   
638  C  C    . ALA A 46  ? 1.27878 1.81434 1.45359 0.01532  -0.15228 0.13600  365 ALA A C    
639  O  O    . ALA A 46  ? 1.21320 1.67161 1.33962 0.01984  -0.15108 0.09857  365 ALA A O    
640  C  CB   . ALA A 46  ? 1.42774 2.01145 1.67143 0.05083  -0.07857 0.23482  365 ALA A CB   
641  H  H    . ALA A 46  ? 1.86970 1.86970 1.86970 -0.00000 -0.00000 -0.00000 365 ALA A H    
642  H  HA   . ALA A 46  ? 1.44613 1.44613 1.44613 -0.00000 -0.00000 -0.00000 365 ALA A HA   
643  H  HB1  . ALA A 46  ? 2.04695 2.04695 2.04695 -0.00000 0.00000  0.00000  365 ALA A HB1  
644  H  HB2  . ALA A 46  ? 2.04695 2.04695 2.04695 -0.00000 0.00000  0.00000  365 ALA A HB2  
645  H  HB3  . ALA A 46  ? 2.04695 2.04695 2.04695 -0.00000 0.00000  0.00000  365 ALA A HB3  
646  N  N    . ASP A 47  ? 1.36613 1.94292 1.57846 -0.02177 -0.19237 0.13355  366 ASP A N    
647  C  CA   . ASP A 47  ? 1.57317 2.09198 1.75986 -0.05713 -0.24036 0.08030  366 ASP A CA   
648  C  C    . ASP A 47  ? 1.40310 1.83162 1.60341 -0.08623 -0.23516 0.07112  366 ASP A C    
649  O  O    . ASP A 47  ? 1.38508 1.72824 1.53873 -0.09667 -0.25638 0.02205  366 ASP A O    
650  C  CB   . ASP A 47  ? 1.36309 1.95523 1.57816 -0.09156 -0.29927 0.07677  366 ASP A CB   
651  C  CG   . ASP A 47  ? 1.08093 1.74072 1.25526 -0.06384 -0.32082 0.06303  366 ASP A CG   
652  O  OD1  . ASP A 47  ? 1.39746 2.03549 1.51629 -0.02151 -0.29450 0.04882  366 ASP A OD1  
653  O  OD2  . ASP A 47  ? 1.68483 2.42309 1.88486 -0.08540 -0.36534 0.06973  366 ASP A OD2  
654  H  H    . ASP A 47  ? 1.95771 1.95771 1.95771 -0.00000 0.00000  -0.00000 366 ASP A H    
655  H  HA   . ASP A 47  ? 2.17270 2.17270 2.17270 -0.00000 0.00000  -0.00000 366 ASP A HA   
656  H  HB2  . ASP A 47  ? 1.96130 1.96130 1.96130 -0.00000 0.00000  -0.00000 366 ASP A HB2  
657  H  HB3  . ASP A 47  ? 1.96130 1.96130 1.96130 -0.00000 0.00000  -0.00000 366 ASP A HB3  
658  N  N    . ASP A 48  ? 0.83705 1.28586 1.09454 -0.09125 -0.20379 0.12013  367 ASP A N    
659  C  CA   . ASP A 48  ? 1.24123 1.61258 1.51001 -0.10817 -0.18777 0.12161  367 ASP A CA   
660  C  C    . ASP A 48  ? 0.85930 1.15405 1.08530 -0.07120 -0.13807 0.11871  367 ASP A C    
661  O  O    . ASP A 48  ? 1.12742 1.36797 1.36129 -0.07431 -0.11511 0.12990  367 ASP A O    
662  C  CB   . ASP A 48  ? 1.21760 1.65593 1.57101 -0.12985 -0.17836 0.18226  367 ASP A CB   
663  C  CG   . ASP A 48  ? 1.40174 1.93896 1.78827 -0.09384 -0.14336 0.23845  367 ASP A CG   
664  O  OD1  . ASP A 48  ? 0.85303 1.38233 1.19444 -0.05062 -0.11681 0.23324  367 ASP A OD1  
665  O  OD2  . ASP A 48  ? 1.40535 2.02804 1.86478 -0.10751 -0.14115 0.29236  367 ASP A OD2  
666  H  H    . ASP A 48  ? 1.28968 1.28968 1.28968 -0.00000 0.00000  -0.00000 367 ASP A H    
667  H  HA   . ASP A 48  ? 1.74823 1.74823 1.74823 -0.00000 -0.00000 0.00000  367 ASP A HA   
668  H  HB2  . ASP A 48  ? 1.78052 1.78052 1.78052 -0.00000 0.00000  -0.00000 367 ASP A HB2  
669  H  HB3  . ASP A 48  ? 1.78052 1.78052 1.78052 -0.00000 0.00000  -0.00000 367 ASP A HB3  
670  N  N    . VAL A 49  ? 1.08381 1.37648 1.26484 -0.03699 -0.12379 0.10649  368 VAL A N    
671  C  CA   . VAL A 49  ? 1.12225 1.33964 1.26039 -0.00888 -0.08801 0.09993  368 VAL A CA   
672  C  C    . VAL A 49  ? 0.93831 1.07294 1.03065 -0.01971 -0.10605 0.04900  368 VAL A C    
673  O  O    . VAL A 49  ? 0.65599 0.72129 0.72140 -0.00720 -0.08234 0.04350  368 VAL A O    
674  C  CB   . VAL A 49  ? 0.97414 1.23143 1.09546 0.02613  -0.06850 0.11832  368 VAL A CB   
675  C  CG1  . VAL A 49  ? 1.39307 1.58097 1.46679 0.04595  -0.04966 0.10335  368 VAL A CG1  
676  C  CG2  . VAL A 49  ? 0.89313 1.19660 1.04981 0.04758  -0.03598 0.17373  368 VAL A CG2  
677  H  H    . VAL A 49  ? 1.49275 1.49275 1.49275 -0.00000 0.00000  -0.00000 368 VAL A H    
678  H  HA   . VAL A 49  ? 1.49162 1.49162 1.49162 -0.00000 -0.00000 0.00000  368 VAL A HA   
679  H  HB   . VAL A 49  ? 1.32311 1.32311 1.32311 0.00000  0.00000  -0.00000 368 VAL A HB   
680  H  HG11 . VAL A 49  ? 1.77903 1.77903 1.77903 -0.00000 -0.00000 -0.00000 368 VAL A HG11 
681  H  HG12 . VAL A 49  ? 1.77903 1.77903 1.77903 -0.00000 -0.00000 -0.00000 368 VAL A HG12 
682  H  HG13 . VAL A 49  ? 1.77903 1.77903 1.77903 -0.00000 -0.00000 -0.00000 368 VAL A HG13 
683  H  HG21 . VAL A 49  ? 1.25852 1.25852 1.25852 -0.00000 0.00000  -0.00000 368 VAL A HG21 
684  H  HG22 . VAL A 49  ? 1.25852 1.25852 1.25852 -0.00000 0.00000  -0.00000 368 VAL A HG22 
685  H  HG23 . VAL A 49  ? 1.25852 1.25852 1.25852 -0.00000 0.00000  -0.00000 368 VAL A HG23 
686  N  N    . THR A 50  ? 0.63416 0.77035 0.71411 -0.04139 -0.14970 0.01212  369 THR A N    
687  C  CA   . THR A 50  ? 0.63309 0.69086 0.66475 -0.04699 -0.17072 -0.03724 369 THR A CA   
688  C  C    . THR A 50  ? 0.61361 0.62864 0.60049 -0.01545 -0.14344 -0.04802 369 THR A C    
689  O  O    . THR A 50  ? 1.05961 1.00263 1.03107 -0.01739 -0.13251 -0.05910 369 THR A O    
690  C  CB   . THR A 50  ? 1.32429 1.32066 1.37734 -0.07950 -0.17978 -0.04051 369 THR A CB   
691  O  OG1  . THR A 50  ? 0.91809 0.87959 0.98050 -0.06687 -0.13636 -0.01360 369 THR A OG1  
692  C  CG2  . THR A 50  ? 1.25905 1.30827 1.37320 -0.11757 -0.20625 -0.01627 369 THR A CG2  
693  H  H    . THR A 50  ? 0.85015 0.85015 0.85015 -0.00000 -0.00000 -0.00000 369 THR A H    
694  H  HA   . THR A 50  ? 0.78197 0.78197 0.78197 -0.00000 -0.00000 -0.00000 369 THR A HA   
695  H  HB   . THR A 50  ? 1.61162 1.61162 1.61162 -0.00000 -0.00000 -0.00000 369 THR A HB   
696  H  HG1  . THR A 50  ? 1.11398 1.11398 1.11398 -0.00000 0.00000  -0.00000 369 THR A HG1  
697  H  HG21 . THR A 50  ? 1.57891 1.57891 1.57891 0.00000  0.00000  0.00000  369 THR A HG21 
698  H  HG22 . THR A 50  ? 1.57891 1.57891 1.57891 0.00000  0.00000  0.00000  369 THR A HG22 
699  H  HG23 . THR A 50  ? 1.57891 1.57891 1.57891 0.00000  0.00000  0.00000  369 THR A HG23 
700  N  N    . PRO A 51  ? 0.66341 0.72656 0.63304 0.01204  -0.13371 -0.04050 370 PRO A N    
701  C  CA   . PRO A 51  ? 0.57511 0.60872 0.51667 0.03525  -0.10946 -0.03914 370 PRO A CA   
702  C  C    . PRO A 51  ? 0.60694 0.60180 0.49985 0.04524  -0.12653 -0.08072 370 PRO A C    
703  O  O    . PRO A 51  ? 0.64980 0.65876 0.51324 0.05038  -0.15643 -0.11170 370 PRO A O    
704  C  CB   . PRO A 51  ? 0.55486 0.66309 0.50184 0.05815  -0.09712 -0.01036 370 PRO A CB   
705  C  CG   . PRO A 51  ? 0.70513 0.87939 0.65747 0.05489  -0.12533 -0.01847 370 PRO A CG   
706  C  CD   . PRO A 51  ? 0.63731 0.79039 0.61855 0.02196  -0.14364 -0.02502 370 PRO A CD   
707  H  HA   . PRO A 51  ? 0.66669 0.66669 0.66669 0.00000  0.00000  0.00000  370 PRO A HA   
708  H  HB2  . PRO A 51  ? 0.67441 0.67441 0.67441 0.00000  0.00000  -0.00000 370 PRO A HB2  
709  H  HB3  . PRO A 51  ? 0.67441 0.67441 0.67441 0.00000  0.00000  -0.00000 370 PRO A HB3  
710  H  HG2  . PRO A 51  ? 0.89950 0.89950 0.89950 0.00000  -0.00000 -0.00000 370 PRO A HG2  
711  H  HG3  . PRO A 51  ? 0.89950 0.89950 0.89950 0.00000  -0.00000 -0.00000 370 PRO A HG3  
712  H  HD2  . PRO A 51  ? 0.82120 0.82120 0.82120 0.00000  -0.00000 0.00000  370 PRO A HD2  
713  H  HD3  . PRO A 51  ? 0.82120 0.82120 0.82120 0.00000  -0.00000 0.00000  370 PRO A HD3  
714  N  N    . THR A 52  ? 0.59487 0.53853 0.47419 0.05146  -0.10882 -0.08125 371 THR A N    
715  C  CA   . THR A 52  ? 0.63791 0.55612 0.47293 0.06999  -0.11749 -0.11103 371 THR A CA   
716  C  C    . THR A 52  ? 0.61457 0.60753 0.43577 0.10038  -0.11195 -0.09781 371 THR A C    
717  O  O    . THR A 52  ? 0.58229 0.62613 0.43230 0.10174  -0.09648 -0.06156 371 THR A O    
718  C  CB   . THR A 52  ? 0.60711 0.46206 0.44065 0.06600  -0.10001 -0.10673 371 THR A CB   
719  O  OG1  . THR A 52  ? 0.65122 0.52393 0.50982 0.06546  -0.07661 -0.06832 371 THR A OG1  
720  C  CG2  . THR A 52  ? 0.67299 0.46048 0.51608 0.04202  -0.10368 -0.11686 371 THR A CG2  
721  H  H    . THR A 52  ? 0.62953 0.62953 0.62953 -0.00000 0.00000  -0.00000 371 THR A H    
722  H  HA   . THR A 52  ? 0.66949 0.66949 0.66949 -0.00000 0.00000  -0.00000 371 THR A HA   
723  H  HB   . THR A 52  ? 0.59042 0.59042 0.59042 -0.00000 0.00000  -0.00000 371 THR A HB   
724  H  HG1  . THR A 52  ? 0.67669 0.67669 0.67669 -0.00000 0.00000  -0.00000 371 THR A HG1  
725  H  HG21 . THR A 52  ? 0.66252 0.66252 0.66252 0.00000  -0.00000 0.00000  371 THR A HG21 
726  H  HG22 . THR A 52  ? 0.66252 0.66252 0.66252 0.00000  -0.00000 0.00000  371 THR A HG22 
727  H  HG23 . THR A 52  ? 0.66252 0.66252 0.66252 0.00000  -0.00000 0.00000  371 THR A HG23 
728  N  N    . LYS A 53  ? 0.48865 0.53331 0.49962 0.13599  -0.03803 0.03261  372 LYS A N    
729  C  CA   . LYS A 53  ? 0.52386 0.58169 0.48462 0.13373  -0.05031 0.03243  372 LYS A CA   
730  C  C    . LYS A 53  ? 0.46183 0.53131 0.39436 0.12239  -0.03948 0.04910  372 LYS A C    
731  O  O    . LYS A 53  ? 0.49932 0.57092 0.41096 0.11529  -0.05034 0.05469  372 LYS A O    
732  C  CB   . LYS A 53  ? 0.61620 0.68632 0.55004 0.14565  -0.05034 0.02437  372 LYS A CB   
733  C  CG   . LYS A 53  ? 0.65892 0.70947 0.61766 0.15483  -0.06375 -0.00106 372 LYS A CG   
734  C  CD   . LYS A 53  ? 0.70329 0.76267 0.62089 0.16905  -0.06566 -0.01496 372 LYS A CD   
735  C  CE   . LYS A 53  ? 0.81718 0.85011 0.75918 0.17923  -0.07069 -0.04475 372 LYS A CE   
736  N  NZ   . LYS A 53  ? 0.72656 0.74139 0.72590 0.18075  -0.05128 -0.03851 372 LYS A NZ   
737  H  H    . LYS A 53  ? 0.61133 0.61133 0.61133 -0.00000 0.00000  -0.00000 372 LYS A H    
738  H  HA   . LYS A 53  ? 0.63877 0.63877 0.63877 -0.00000 0.00000  -0.00000 372 LYS A HA   
739  H  HB2  . LYS A 53  ? 0.74372 0.74372 0.74372 -0.00000 0.00000  -0.00000 372 LYS A HB2  
740  H  HB3  . LYS A 53  ? 0.74372 0.74372 0.74372 -0.00000 0.00000  -0.00000 372 LYS A HB3  
741  H  HG2  . LYS A 53  ? 0.79712 0.79712 0.79712 -0.00000 0.00000  0.00000  372 LYS A HG2  
742  H  HG3  . LYS A 53  ? 0.79712 0.79712 0.79712 -0.00000 0.00000  0.00000  372 LYS A HG3  
743  H  HD2  . LYS A 53  ? 0.83744 0.83744 0.83744 -0.00000 0.00000  -0.00000 372 LYS A HD2  
744  H  HD3  . LYS A 53  ? 0.83744 0.83744 0.83744 -0.00000 0.00000  -0.00000 372 LYS A HD3  
745  H  HE2  . LYS A 53  ? 0.97329 0.97329 0.97329 0.00000  -0.00000 -0.00000 372 LYS A HE2  
746  H  HE3  . LYS A 53  ? 0.97329 0.97329 0.97329 0.00000  -0.00000 -0.00000 372 LYS A HE3  
747  H  HZ1  . LYS A 53  ? 0.88024 0.88024 0.88024 -0.00000 -0.00000 -0.00000 372 LYS A HZ1  
748  H  HZ2  . LYS A 53  ? 0.88024 0.88024 0.88024 -0.00000 -0.00000 -0.00000 372 LYS A HZ2  
749  H  HZ3  . LYS A 53  ? 0.88024 0.88024 0.88024 -0.00000 -0.00000 -0.00000 372 LYS A HZ3  
750  N  N    . HIS A 54  ? 0.40202 0.48081 0.33591 0.11969  -0.01902 0.05786  373 HIS A N    
751  C  CA   . HIS A 54  ? 0.42107 0.51163 0.32549 0.10525  -0.01212 0.06801  373 HIS A CA   
752  C  C    . HIS A 54  ? 0.41291 0.47647 0.32552 0.09532  -0.01656 0.06390  373 HIS A C    
753  O  O    . HIS A 54  ? 0.43002 0.49176 0.32138 0.08322  -0.02337 0.06871  373 HIS A O    
754  C  CB   . HIS A 54  ? 0.42740 0.54093 0.32862 0.10403  0.00835  0.07728  373 HIS A CB   
755  C  CG   . HIS A 54  ? 0.54732 0.67817 0.41288 0.08528  0.00925  0.08376  373 HIS A CG   
756  N  ND1  . HIS A 54  ? 0.58738 0.69537 0.44724 0.07123  0.01023  0.07401  373 HIS A ND1  
757  C  CD2  . HIS A 54  ? 0.41749 0.58352 0.25552 0.07757  0.00755  0.09779  373 HIS A CD2  
758  C  CE1  . HIS A 54  ? 0.49032 0.61733 0.31891 0.05213  0.00634  0.07909  373 HIS A CE1  
759  N  NE2  . HIS A 54  ? 0.55007 0.71589 0.36701 0.05468  0.00354  0.09622  373 HIS A NE2  
760  H  H    . HIS A 54  ? 0.47454 0.47454 0.47454 -0.00000 0.00000  -0.00000 373 HIS A H    
761  H  HA   . HIS A 54  ? 0.50598 0.50598 0.50598 -0.00000 -0.00000 -0.00000 373 HIS A HA   
762  H  HB2  . HIS A 54  ? 0.52148 0.52148 0.52148 -0.00000 -0.00000 -0.00000 373 HIS A HB2  
763  H  HB3  . HIS A 54  ? 0.52148 0.52148 0.52148 -0.00000 -0.00000 -0.00000 373 HIS A HB3  
764  H  HD1  . HIS A 54  ? 0.69470 0.69470 0.69470 -0.00000 0.00000  -0.00000 373 HIS A HD1  
765  H  HD2  . HIS A 54  ? 0.50531 0.50531 0.50531 0.00000  -0.00000 -0.00000 373 HIS A HD2  
766  H  HE1  . HIS A 54  ? 0.57333 0.57333 0.57333 0.00000  0.00000  -0.00000 373 HIS A HE1  
767  N  N    . ALA A 55  ? 0.41082 0.45322 0.36091 0.10174  -0.01139 0.05801  374 ALA A N    
768  C  CA   . ALA A 55  ? 0.42393 0.43898 0.38961 0.09784  -0.01183 0.05595  374 ALA A CA   
769  C  C    . ALA A 55  ? 0.43343 0.44125 0.39988 0.09599  -0.03248 0.06056  374 ALA A C    
770  O  O    . ALA A 55  ? 0.60221 0.59244 0.56628 0.08828  -0.03216 0.06508  374 ALA A O    
771  C  CB   . ALA A 55  ? 0.41884 0.42111 0.43247 0.10920  -0.00231 0.05462  374 ALA A CB   
772  H  H    . ALA A 55  ? 0.47647 0.47647 0.47647 0.00000  0.00000  -0.00000 374 ALA A H    
773  H  HA   . ALA A 55  ? 0.48750 0.48750 0.48750 -0.00000 -0.00000 -0.00000 374 ALA A HA   
774  H  HB1  . ALA A 55  ? 0.49546 0.49546 0.49546 -0.00000 0.00000  0.00000  374 ALA A HB1  
775  H  HB2  . ALA A 55  ? 0.49546 0.49546 0.49546 -0.00000 0.00000  0.00000  374 ALA A HB2  
776  H  HB3  . ALA A 55  ? 0.49546 0.49546 0.49546 -0.00000 0.00000  0.00000  374 ALA A HB3  
777  N  N    . ILE A 56  ? 0.51663 0.53932 0.48466 0.10351  -0.04989 0.05961  375 ILE A N    
778  C  CA   . ILE A 56  ? 0.44168 0.47056 0.40332 0.10397  -0.07078 0.06704  375 ILE A CA   
779  C  C    . ILE A 56  ? 0.45067 0.49341 0.37275 0.09475  -0.07088 0.07992  375 ILE A C    
780  O  O    . ILE A 56  ? 0.48039 0.51654 0.40567 0.08871  -0.07562 0.09432  375 ILE A O    
781  C  CB   . ILE A 56  ? 0.44489 0.48848 0.41113 0.11457  -0.09033 0.05598  375 ILE A CB   
782  C  CG1  . ILE A 56  ? 0.45022 0.47972 0.47116 0.11835  -0.09547 0.04925  375 ILE A CG1  
783  C  CG2  . ILE A 56  ? 0.47783 0.54184 0.42039 0.11728  -0.11122 0.06300  375 ILE A CG2  
784  C  CD1  . ILE A 56  ? 0.50735 0.54201 0.54121 0.12407  -0.11019 0.03029  375 ILE A CD1  
785  H  H    . ILE A 56  ? 0.61895 0.61895 0.61895 0.00000  -0.00000 -0.00000 375 ILE A H    
786  H  HA   . ILE A 56  ? 0.51271 0.51271 0.51271 -0.00000 -0.00000 -0.00000 375 ILE A HA   
787  H  HB   . ILE A 56  ? 0.52429 0.52429 0.52429 0.00000  0.00000  0.00000  375 ILE A HB   
788  H  HG12 . ILE A 56  ? 0.56315 0.56315 0.56315 0.00000  0.00000  0.00000  375 ILE A HG12 
789  H  HG13 . ILE A 56  ? 0.56315 0.56315 0.56315 0.00000  0.00000  0.00000  375 ILE A HG13 
790  H  HG21 . ILE A 56  ? 0.57872 0.57872 0.57872 0.00000  -0.00000 -0.00000 375 ILE A HG21 
791  H  HG22 . ILE A 56  ? 0.57872 0.57872 0.57872 0.00000  -0.00000 -0.00000 375 ILE A HG22 
792  H  HG23 . ILE A 56  ? 0.57872 0.57872 0.57872 0.00000  -0.00000 -0.00000 375 ILE A HG23 
793  H  HD11 . ILE A 56  ? 0.63893 0.63893 0.63893 0.00000  -0.00000 -0.00000 375 ILE A HD11 
794  H  HD12 . ILE A 56  ? 0.63893 0.63893 0.63893 0.00000  -0.00000 -0.00000 375 ILE A HD12 
795  H  HD13 . ILE A 56  ? 0.63893 0.63893 0.63893 0.00000  -0.00000 -0.00000 375 ILE A HD13 
796  N  N    . VAL A 57  ? 0.45388 0.51823 0.34536 0.09406  -0.06454 0.07905  376 VAL A N    
797  C  CA   . VAL A 57  ? 0.45161 0.53763 0.31141 0.08457  -0.06447 0.09568  376 VAL A CA   
798  C  C    . VAL A 57  ? 0.46179 0.52878 0.32588 0.06494  -0.05693 0.10220  376 VAL A C    
799  O  O    . VAL A 57  ? 0.56193 0.62961 0.42435 0.05525  -0.06290 0.11911  376 VAL A O    
800  C  CB   . VAL A 57  ? 0.53837 0.65322 0.37369 0.08824  -0.05527 0.09637  376 VAL A CB   
801  C  CG1  . VAL A 57  ? 0.54206 0.68112 0.35556 0.07332  -0.05268 0.11676  376 VAL A CG1  
802  C  CG2  . VAL A 57  ? 0.58430 0.71551 0.40757 0.10832  -0.06248 0.08922  376 VAL A CG2  
803  H  H    . VAL A 57  ? 0.52969 0.52969 0.52969 0.00000  0.00000  -0.00000 376 VAL A H    
804  H  HA   . VAL A 57  ? 0.51440 0.51440 0.51440 -0.00000 -0.00000 -0.00000 376 VAL A HA   
805  H  HB   . VAL A 57  ? 0.62881 0.62881 0.62881 -0.00000 0.00000  -0.00000 376 VAL A HB   
806  H  HG11 . VAL A 57  ? 0.63420 0.63420 0.63420 -0.00000 0.00000  -0.00000 376 VAL A HG11 
807  H  HG12 . VAL A 57  ? 0.63420 0.63420 0.63420 -0.00000 0.00000  -0.00000 376 VAL A HG12 
808  H  HG13 . VAL A 57  ? 0.63420 0.63420 0.63420 -0.00000 0.00000  -0.00000 376 VAL A HG13 
809  H  HG21 . VAL A 57  ? 0.68565 0.68565 0.68565 -0.00000 0.00000  -0.00000 376 VAL A HG21 
810  H  HG22 . VAL A 57  ? 0.68565 0.68565 0.68565 -0.00000 0.00000  -0.00000 376 VAL A HG22 
811  H  HG23 . VAL A 57  ? 0.68565 0.68565 0.68565 -0.00000 0.00000  -0.00000 376 VAL A HG23 
812  N  N    . GLN A 58  ? 0.45889 0.50688 0.33123 0.05992  -0.04317 0.08784  377 GLN A N    
813  C  CA   . GLN A 58  ? 0.48003 0.50416 0.35094 0.04144  -0.03524 0.08392  377 GLN A CA   
814  C  C    . GLN A 58  ? 0.50164 0.48755 0.40018 0.04069  -0.03743 0.08649  377 GLN A C    
815  O  O    . GLN A 58  ? 0.58216 0.55129 0.48088 0.02429  -0.03825 0.09297  377 GLN A O    
816  C  CB   . GLN A 58  ? 0.50394 0.52138 0.37211 0.04161  -0.01856 0.06613  377 GLN A CB   
817  C  CG   . GLN A 58  ? 0.67736 0.68054 0.52617 0.01851  -0.01306 0.05671  377 GLN A CG   
818  C  CD   . GLN A 58  ? 0.60449 0.61315 0.43866 0.01866  0.00253  0.04042  377 GLN A CD   
819  O  OE1  . GLN A 58  ? 0.57570 0.61995 0.40416 0.02819  0.00744  0.04650  377 GLN A OE1  
820  N  NE2  . GLN A 58  ? 0.76501 0.73814 0.59510 0.01130  0.01248  0.02063  377 GLN A NE2  
821  H  H    . GLN A 58  ? 0.51293 0.51293 0.51293 0.00000  0.00000  0.00000  377 GLN A H    
822  H  HA   . GLN A 58  ? 0.52054 0.52054 0.52054 0.00000  0.00000  -0.00000 377 GLN A HA   
823  H  HB2  . GLN A 58  ? 0.56167 0.56167 0.56167 0.00000  0.00000  -0.00000 377 GLN A HB2  
824  H  HB3  . GLN A 58  ? 0.56167 0.56167 0.56167 0.00000  0.00000  -0.00000 377 GLN A HB3  
825  H  HG2  . GLN A 58  ? 0.75633 0.75633 0.75633 0.00000  -0.00000 0.00000  377 GLN A HG2  
826  H  HG3  . GLN A 58  ? 0.75633 0.75633 0.75633 0.00000  -0.00000 0.00000  377 GLN A HG3  
827  H  HE21 . GLN A 58  ? 0.84200 0.84200 0.84200 0.00000  -0.00000 0.00000  377 GLN A HE21 
828  H  HE22 . GLN A 58  ? 0.84200 0.84200 0.84200 0.00000  -0.00000 0.00000  377 GLN A HE22 
829  N  N    . THR A 59  ? 0.49408 0.46690 0.42242 0.05787  -0.03807 0.08374  378 THR A N    
830  C  CA   . THR A 59  ? 0.51321 0.45756 0.47557 0.06183  -0.04005 0.09359  378 THR A CA   
831  C  C    . THR A 59  ? 0.54112 0.50104 0.50269 0.05803  -0.05544 0.11950  378 THR A C    
832  O  O    . THR A 59  ? 0.54938 0.48352 0.53069 0.05086  -0.05218 0.13195  378 THR A O    
833  C  CB   . THR A 59  ? 0.49970 0.44310 0.49835 0.08075  -0.04263 0.09245  378 THR A CB   
834  O  OG1  . THR A 59  ? 0.55873 0.49355 0.56043 0.08485  -0.02507 0.07409  378 THR A OG1  
835  C  CG2  . THR A 59  ? 0.52152 0.44064 0.56298 0.08764  -0.04223 0.10783  378 THR A CG2  
836  H  H    . THR A 59  ? 0.53985 0.53985 0.53985 -0.00000 0.00000  -0.00000 378 THR A H    
837  H  HA   . THR A 59  ? 0.56503 0.56503 0.56503 -0.00000 -0.00000 -0.00000 378 THR A HA   
838  H  HB   . THR A 59  ? 0.56295 0.56295 0.56295 -0.00000 0.00000  0.00000  378 THR A HB   
839  H  HG1  . THR A 59  ? 0.64778 0.64778 0.64778 -0.00000 -0.00000 -0.00000 378 THR A HG1  
840  H  HG21 . THR A 59  ? 0.61276 0.61276 0.61276 0.00000  -0.00000 -0.00000 378 THR A HG21 
841  H  HG22 . THR A 59  ? 0.61276 0.61276 0.61276 0.00000  -0.00000 -0.00000 378 THR A HG22 
842  H  HG23 . THR A 59  ? 0.61276 0.61276 0.61276 0.00000  -0.00000 -0.00000 378 THR A HG23 
843  N  N    . LEU A 60  ? 0.51294 0.51554 0.45052 0.06346  -0.06950 0.12838  379 LEU A N    
844  C  CA   . LEU A 60  ? 0.53645 0.56548 0.46718 0.06280  -0.08199 0.15693  379 LEU A CA   
845  C  C    . LEU A 60  ? 0.53663 0.56498 0.45655 0.04203  -0.07618 0.17031  379 LEU A C    
846  O  O    . LEU A 60  ? 0.55432 0.58106 0.49266 0.03610  -0.07948 0.19770  379 LEU A O    
847  C  CB   . LEU A 60  ? 0.60289 0.67929 0.50249 0.07725  -0.09550 0.15833  379 LEU A CB   
848  C  CG   . LEU A 60  ? 0.64641 0.73030 0.56037 0.09449  -0.11071 0.15039  379 LEU A CG   
849  C  CD1  . LEU A 60  ? 0.64090 0.75807 0.51870 0.10732  -0.12099 0.13491  379 LEU A CD1  
850  C  CD2  . LEU A 60  ? 0.58528 0.68032 0.52165 0.09933  -0.12315 0.18014  379 LEU A CD2  
851  H  H    . LEU A 60  ? 0.59430 0.59430 0.59430 -0.00000 0.00000  -0.00000 379 LEU A H    
852  H  HA   . LEU A 60  ? 0.63034 0.63034 0.63034 0.00000  0.00000  -0.00000 379 LEU A HA   
853  H  HB2  . LEU A 60  ? 0.71657 0.71657 0.71657 0.00000  -0.00000 -0.00000 379 LEU A HB2  
854  H  HB3  . LEU A 60  ? 0.71657 0.71657 0.71657 0.00000  -0.00000 -0.00000 379 LEU A HB3  
855  H  HG   . LEU A 60  ? 0.77754 0.77754 0.77754 0.00000  -0.00000 -0.00000 379 LEU A HG   
856  H  HD11 . LEU A 60  ? 0.76977 0.76977 0.76977 -0.00000 -0.00000 -0.00000 379 LEU A HD11 
857  H  HD12 . LEU A 60  ? 0.76977 0.76977 0.76977 -0.00000 -0.00000 -0.00000 379 LEU A HD12 
858  H  HD13 . LEU A 60  ? 0.76977 0.76977 0.76977 -0.00000 -0.00000 -0.00000 379 LEU A HD13 
859  H  HD21 . LEU A 60  ? 0.71760 0.71760 0.71760 -0.00000 -0.00000 -0.00000 379 LEU A HD21 
860  H  HD22 . LEU A 60  ? 0.71760 0.71760 0.71760 -0.00000 -0.00000 -0.00000 379 LEU A HD22 
861  H  HD23 . LEU A 60  ? 0.71760 0.71760 0.71760 -0.00000 -0.00000 -0.00000 379 LEU A HD23 
862  N  N    . VAL A 61  ? 0.54583 0.58035 0.44060 0.03009  -0.06857 0.15487  380 VAL A N    
863  C  CA   . VAL A 61  ? 0.58215 0.61683 0.47239 0.00512  -0.06621 0.16544  380 VAL A CA   
864  C  C    . VAL A 61  ? 0.57808 0.55601 0.49680 -0.01162 -0.05900 0.15672  380 VAL A C    
865  O  O    . VAL A 61  ? 0.60492 0.57318 0.54158 -0.02905 -0.06170 0.17622  380 VAL A O    
866  C  CB   . VAL A 61  ? 0.59571 0.65619 0.45556 -0.00431 -0.06157 0.15267  380 VAL A CB   
867  C  CG1  . VAL A 61  ? 0.72227 0.78678 0.58196 -0.03483 -0.06348 0.16294  380 VAL A CG1  
868  C  CG2  . VAL A 61  ? 0.53236 0.64349 0.36839 0.01490  -0.06460 0.16256  380 VAL A CG2  
869  H  H    . VAL A 61  ? 0.62941 0.62941 0.62941 -0.00000 0.00000  0.00000  380 VAL A H    
870  H  HA   . VAL A 61  ? 0.67125 0.67125 0.67125 0.00000  -0.00000 -0.00000 380 VAL A HA   
871  H  HB   . VAL A 61  ? 0.68568 0.68568 0.68568 0.00000  0.00000  0.00000  380 VAL A HB   
872  H  HG11 . VAL A 61  ? 0.83911 0.83911 0.83911 -0.00000 -0.00000 -0.00000 380 VAL A HG11 
873  H  HG12 . VAL A 61  ? 0.83911 0.83911 0.83911 -0.00000 -0.00000 -0.00000 380 VAL A HG12 
874  H  HG13 . VAL A 61  ? 0.83911 0.83911 0.83911 -0.00000 -0.00000 -0.00000 380 VAL A HG13 
875  H  HG21 . VAL A 61  ? 0.62040 0.62040 0.62040 0.00000  0.00000  -0.00000 380 VAL A HG21 
876  H  HG22 . VAL A 61  ? 0.62040 0.62040 0.62040 0.00000  0.00000  -0.00000 380 VAL A HG22 
877  H  HG23 . VAL A 61  ? 0.62040 0.62040 0.62040 0.00000  0.00000  -0.00000 380 VAL A HG23 
878  N  N    . HIS A 62  ? 0.58272 0.52189 0.50992 -0.00430 -0.04811 0.12905  381 HIS A N    
879  C  CA   . HIS A 62  ? 0.62469 0.50417 0.57751 -0.01397 -0.03698 0.11653  381 HIS A CA   
880  C  C    . HIS A 62  ? 0.64333 0.50484 0.63981 -0.00712 -0.03989 0.14691  381 HIS A C    
881  O  O    . HIS A 62  ? 0.68794 0.50895 0.70970 -0.02294 -0.03471 0.15169  381 HIS A O    
882  C  CB   . HIS A 62  ? 0.62574 0.47599 0.58010 0.00053  -0.02123 0.08640  381 HIS A CB   
883  C  CG   . HIS A 62  ? 0.76741 0.55442 0.75141 0.00060  -0.00558 0.07451  381 HIS A CG   
884  N  ND1  . HIS A 62  ? 0.72411 0.46952 0.69668 -0.02274 0.00251  0.05025  381 HIS A ND1  
885  C  CD2  . HIS A 62  ? 0.77130 0.53084 0.79681 0.02144  0.00357  0.08341  381 HIS A CD2  
886  C  CE1  . HIS A 62  ? 0.77576 0.46360 0.78086 -0.01293 0.01932  0.04196  381 HIS A CE1  
887  N  NE2  . HIS A 62  ? 0.80542 0.50243 0.84594 0.01466  0.02133  0.06528  381 HIS A NE2  
888  H  H    . HIS A 62  ? 0.63230 0.63230 0.63230 0.00000  0.00000  0.00000  381 HIS A H    
889  H  HA   . HIS A 62  ? 0.66904 0.66904 0.66904 0.00000  0.00000  -0.00000 381 HIS A HA   
890  H  HB2  . HIS A 62  ? 0.65923 0.65923 0.65923 0.00000  0.00000  -0.00000 381 HIS A HB2  
891  H  HB3  . HIS A 62  ? 0.65923 0.65923 0.65923 0.00000  0.00000  -0.00000 381 HIS A HB3  
892  H  HD1  . HIS A 62  ? 0.74261 0.74261 0.74261 0.00000  -0.00000 -0.00000 381 HIS A HD1  
893  H  HD2  . HIS A 62  ? 0.84229 0.84229 0.84229 0.00000  -0.00000 -0.00000 381 HIS A HD2  
894  H  HE1  . HIS A 62  ? 0.81079 0.81079 0.81079 -0.00000 0.00000  -0.00000 381 HIS A HE1  
895  N  N    A LEU A 63  ? 0.61759 0.50945 0.62590 0.01598  -0.04873 0.16813  382 LEU A N    
896  N  N    B LEU A 63  ? 0.61762 0.50955 0.62594 0.01595  -0.04876 0.16824  382 LEU A N    
897  C  CA   A LEU A 63  ? 0.66784 0.55646 0.71795 0.02511  -0.05290 0.20436  382 LEU A CA   
898  C  CA   B LEU A 63  ? 0.65397 0.54160 0.70451 0.02502  -0.05263 0.20407  382 LEU A CA   
899  C  C    A LEU A 63  ? 0.65226 0.55888 0.70820 0.00896  -0.05952 0.23839  382 LEU A C    
900  C  C    B LEU A 63  ? 0.65205 0.55908 0.70809 0.00922  -0.05963 0.23867  382 LEU A C    
901  O  O    A LEU A 63  ? 0.68341 0.56774 0.78378 0.00727  -0.05599 0.26744  382 LEU A O    
902  O  O    B LEU A 63  ? 0.68277 0.56852 0.78315 0.00784  -0.05632 0.26828  382 LEU A O    
903  C  CB   A LEU A 63  ? 0.61277 0.54577 0.66447 0.04990  -0.06701 0.21958  382 LEU A CB   
904  C  CB   B LEU A 63  ? 0.62970 0.55939 0.68387 0.05040  -0.06611 0.21859  382 LEU A CB   
905  C  CG   A LEU A 63  ? 0.72976 0.64625 0.79638 0.06577  -0.06177 0.19654  382 LEU A CG   
906  C  CG   B LEU A 63  ? 0.62495 0.56541 0.72268 0.06476  -0.07283 0.25940  382 LEU A CG   
907  C  CD1  A LEU A 63  ? 0.67769 0.64266 0.74418 0.08405  -0.08198 0.20784  382 LEU A CD1  
908  C  CD1  B LEU A 63  ? 0.94679 0.90610 1.06062 0.08650  -0.08204 0.25757  382 LEU A CD1  
909  C  CD2  A LEU A 63  ? 0.62496 0.48966 0.74203 0.07084  -0.04495 0.20178  382 LEU A CD2  
910  C  CD2  B LEU A 63  ? 0.64481 0.63874 0.72829 0.06417  -0.08704 0.29778  382 LEU A CD2  
911  H  H    A LEU A 63  ? 0.69522 0.69522 0.69522 -0.00000 0.00000  -0.00000 382 LEU A H    
912  H  H    B LEU A 63  ? 0.69535 0.69535 0.69535 0.00000  -0.00000 -0.00000 382 LEU A H    
913  H  HA   A LEU A 63  ? 0.77960 0.77960 0.77960 -0.00000 0.00000  -0.00000 382 LEU A HA   
914  H  HA   B LEU A 63  ? 0.76274 0.76274 0.76274 -0.00000 0.00000  -0.00000 382 LEU A HA   
915  H  HB2  A LEU A 63  ? 0.73191 0.73191 0.73191 0.00000  -0.00000 0.00000  382 LEU A HB2  
916  H  HB2  B LEU A 63  ? 0.75188 0.75188 0.75188 -0.00000 0.00000  0.00000  382 LEU A HB2  
917  H  HB3  A LEU A 63  ? 0.73191 0.73191 0.73191 0.00000  -0.00000 0.00000  382 LEU A HB3  
918  H  HB3  B LEU A 63  ? 0.75188 0.75188 0.75188 -0.00000 0.00000  0.00000  382 LEU A HB3  
919  H  HG   A LEU A 63  ? 0.87166 0.87166 0.87166 -0.00000 0.00000  0.00000  382 LEU A HG   
920  H  HG   B LEU A 63  ? 0.76792 0.76792 0.76792 -0.00000 -0.00000 -0.00000 382 LEU A HG   
921  H  HD11 A LEU A 63  ? 0.82851 0.82851 0.82851 -0.00000 0.00000  -0.00000 382 LEU A HD11 
922  H  HD11 B LEU A 63  ? 1.16810 1.16810 1.16810 -0.00000 -0.00000 -0.00000 382 LEU A HD11 
923  H  HD12 A LEU A 63  ? 0.82851 0.82851 0.82851 -0.00000 0.00000  -0.00000 382 LEU A HD12 
924  H  HD12 B LEU A 63  ? 1.16810 1.16810 1.16810 -0.00000 -0.00000 -0.00000 382 LEU A HD12 
925  H  HD13 A LEU A 63  ? 0.82851 0.82851 0.82851 -0.00000 0.00000  -0.00000 382 LEU A HD13 
926  H  HD13 B LEU A 63  ? 1.16810 1.16810 1.16810 -0.00000 -0.00000 -0.00000 382 LEU A HD13 
927  H  HD21 A LEU A 63  ? 0.72915 0.72915 0.72915 0.00000  -0.00000 -0.00000 382 LEU A HD21 
928  H  HD21 B LEU A 63  ? 0.80744 0.80744 0.80744 -0.00000 0.00000  -0.00000 382 LEU A HD21 
929  H  HD22 A LEU A 63  ? 0.72915 0.72915 0.72915 0.00000  -0.00000 -0.00000 382 LEU A HD22 
930  H  HD22 B LEU A 63  ? 0.80744 0.80744 0.80744 -0.00000 0.00000  -0.00000 382 LEU A HD22 
931  H  HD23 A LEU A 63  ? 0.72915 0.72915 0.72915 0.00000  -0.00000 -0.00000 382 LEU A HD23 
932  H  HD23 B LEU A 63  ? 0.80744 0.80744 0.80744 -0.00000 0.00000  -0.00000 382 LEU A HD23 
933  N  N    . LYS A 64  ? 0.63446 0.58346 0.65266 -0.00169 -0.06721 0.24003  383 LYS A N    
934  C  CA   . LYS A 64  ? 0.64857 0.62544 0.67486 -0.01657 -0.07274 0.27749  383 LYS A CA   
935  C  C    . LYS A 64  ? 0.67782 0.62151 0.71149 -0.05113 -0.06800 0.26481  383 LYS A C    
936  O  O    . LYS A 64  ? 0.70503 0.64850 0.77101 -0.06855 -0.07000 0.29752  383 LYS A O    
937  C  CB   . LYS A 64  ? 0.83012 0.87999 0.81467 -0.00525 -0.08253 0.29259  383 LYS A CB   
938  C  CG   . LYS A 64  ? 0.98864 1.08158 0.98518 -0.01169 -0.08655 0.34232  383 LYS A CG   
939  C  CD   . LYS A 64  ? 0.73688 0.89564 0.70801 0.01647  -0.09439 0.36983  383 LYS A CD   
940  C  CE   . LYS A 64  ? 0.69876 0.89199 0.69841 0.01221  -0.09159 0.41616  383 LYS A CE   
941  N  NZ   . LYS A 64  ? 1.30291 1.55412 1.27318 0.03461  -0.08769 0.40606  383 LYS A NZ   
942  H  H    A LYS A 64  ? 0.74550 0.74550 0.74550 0.00000  0.00000  0.00000  383 LYS A H    
943  H  H    B LYS A 64  ? 0.74550 0.74550 0.74550 0.00000  0.00000  0.00000  383 LYS A H    
944  H  HA   . LYS A 64  ? 0.76604 0.76604 0.76604 -0.00000 0.00000  -0.00000 383 LYS A HA   
945  H  HB2  . LYS A 64  ? 1.01261 1.01261 1.01261 -0.00000 0.00000  0.00000  383 LYS A HB2  
946  H  HB3  . LYS A 64  ? 1.01261 1.01261 1.01261 -0.00000 0.00000  0.00000  383 LYS A HB3  
947  H  HG2  . LYS A 64  ? 1.22486 1.22486 1.22486 -0.00000 0.00000  -0.00000 383 LYS A HG2  
948  H  HG3  . LYS A 64  ? 1.22486 1.22486 1.22486 -0.00000 0.00000  -0.00000 383 LYS A HG3  
949  H  HD2  . LYS A 64  ? 0.93891 0.93891 0.93891 -0.00000 0.00000  0.00000  383 LYS A HD2  
950  H  HD3  . LYS A 64  ? 0.93891 0.93891 0.93891 -0.00000 0.00000  0.00000  383 LYS A HD3  
951  H  HE2  . LYS A 64  ? 0.91836 0.91836 0.91836 0.00000  -0.00000 -0.00000 383 LYS A HE2  
952  H  HE3  . LYS A 64  ? 0.91836 0.91836 0.91836 0.00000  -0.00000 -0.00000 383 LYS A HE3  
953  H  HZ1  . LYS A 64  ? 1.65479 1.65479 1.65479 -0.00000 -0.00000 0.00000  383 LYS A HZ1  
954  H  HZ2  . LYS A 64  ? 1.65479 1.65479 1.65479 -0.00000 -0.00000 0.00000  383 LYS A HZ2  
955  H  HZ3  . LYS A 64  ? 1.65479 1.65479 1.65479 -0.00000 -0.00000 0.00000  383 LYS A HZ3  
956  N  N    . PHE A 65  ? 0.67750 0.59603 0.68435 -0.06242 -0.06279 0.21956  384 PHE A N    
957  C  CA   . PHE A 65  ? 0.84043 0.72834 0.84723 -0.09756 -0.06179 0.19862  384 PHE A CA   
958  C  C    . PHE A 65  ? 0.79600 0.62080 0.79587 -0.09831 -0.04867 0.14896  384 PHE A C    
959  O  O    . PHE A 65  ? 1.09943 0.93350 1.05919 -0.10216 -0.04657 0.11554  384 PHE A O    
960  C  CB   . PHE A 65  ? 0.87562 0.82145 0.84411 -0.11199 -0.07070 0.19825  384 PHE A CB   
961  C  CG   . PHE A 65  ? 0.84419 0.85766 0.81410 -0.10428 -0.07883 0.24661  384 PHE A CG   
962  C  CD1  . PHE A 65  ? 1.03495 1.05778 1.04231 -0.12402 -0.08407 0.28630  384 PHE A CD1  
963  C  CD2  . PHE A 65  ? 0.73510 0.80065 0.67209 -0.07546 -0.07938 0.25321  384 PHE A CD2  
964  C  CE1  . PHE A 65  ? 1.29073 1.38209 1.29850 -0.11280 -0.08806 0.33520  384 PHE A CE1  
965  C  CE2  . PHE A 65  ? 0.92635 1.05341 0.85869 -0.06426 -0.08362 0.29484  384 PHE A CE2  
966  C  CZ   . PHE A 65  ? 0.71693 0.86046 0.68286 -0.08161 -0.08706 0.33744  384 PHE A CZ   
967  H  H    . PHE A 65  ? 0.78302 0.78302 0.78302 0.00000  0.00000  0.00000  384 PHE A H    
968  H  HA   . PHE A 65  ? 0.96910 0.96910 0.96910 -0.00000 0.00000  -0.00000 384 PHE A HA   
969  H  HB2  . PHE A 65  ? 1.01917 1.01917 1.01917 -0.00000 -0.00000 0.00000  384 PHE A HB2  
970  H  HB3  . PHE A 65  ? 1.01917 1.01917 1.01917 -0.00000 -0.00000 0.00000  384 PHE A HB3  
971  H  HD1  . PHE A 65  ? 1.25672 1.25672 1.25672 0.00000  0.00000  -0.00000 384 PHE A HD1  
972  H  HD2  . PHE A 65  ? 0.88584 0.88584 0.88584 -0.00000 0.00000  -0.00000 384 PHE A HD2  
973  H  HE1  . PHE A 65  ? 1.59123 1.59123 1.59123 -0.00000 -0.00000 -0.00000 384 PHE A HE1  
974  H  HE2  . PHE A 65  ? 1.13808 1.13808 1.13808 -0.00000 -0.00000 -0.00000 384 PHE A HE2  
975  H  HZ   . PHE A 65  ? 0.90680 0.90680 0.90680 -0.00000 -0.00000 -0.00000 384 PHE A HZ   
976  N  N    . PRO A 66  ? 0.85796 0.62109 0.89749 -0.09165 -0.03707 0.14604  385 PRO A N    
977  C  CA   . PRO A 66  ? 0.80403 0.51339 0.83414 -0.08292 -0.01992 0.10095  385 PRO A CA   
978  C  C    . PRO A 66  ? 1.08709 0.75911 1.08982 -0.11312 -0.01670 0.05495  385 PRO A C    
979  O  O    . PRO A 66  ? 0.98747 0.65024 0.95413 -0.10614 -0.00621 0.01600  385 PRO A O    
980  C  CB   . PRO A 66  ? 0.83646 0.49233 0.92305 -0.06591 -0.00638 0.11671  385 PRO A CB   
981  C  CG   . PRO A 66  ? 1.11334 0.80109 1.23673 -0.06527 -0.01822 0.17188  385 PRO A CG   
982  C  CD   . PRO A 66  ? 0.79413 0.54561 0.88858 -0.08325 -0.03658 0.18993  385 PRO A CD   
983  H  HA   . PRO A 66  ? 0.84712 0.84712 0.84712 -0.00000 -0.00000 0.00000  385 PRO A HA   
984  H  HB2  . PRO A 66  ? 0.88746 0.88746 0.88746 0.00000  0.00000  0.00000  385 PRO A HB2  
985  H  HB3  . PRO A 66  ? 0.88746 0.88746 0.88746 0.00000  0.00000  0.00000  385 PRO A HB3  
986  H  HG2  . PRO A 66  ? 1.26316 1.26316 1.26316 -0.00000 -0.00000 0.00000  385 PRO A HG2  
987  H  HG3  . PRO A 66  ? 1.26316 1.26316 1.26316 -0.00000 -0.00000 0.00000  385 PRO A HG3  
988  H  HD2  . PRO A 66  ? 0.87782 0.87782 0.87782 -0.00000 -0.00000 0.00000  385 PRO A HD2  
989  H  HD3  . PRO A 66  ? 0.87782 0.87782 0.87782 -0.00000 -0.00000 0.00000  385 PRO A HD3  
990  N  N    . THR A 67  ? 0.89942 0.55182 0.92180 -0.14711 -0.02621 0.06070  386 THR A N    
991  C  CA   . THR A 67  ? 1.13871 0.76115 1.13443 -0.18264 -0.03000 0.01587  386 THR A CA   
992  C  C    . THR A 67  ? 0.96887 0.65889 0.90766 -0.19593 -0.04350 0.00283  386 THR A C    
993  O  O    . THR A 67  ? 1.59817 1.27253 1.50097 -0.21743 -0.04502 -0.04127 386 THR A O    
994  C  CB   . THR A 67  ? 1.02033 0.61251 1.06014 -0.22023 -0.04149 0.03044  386 THR A CB   
995  O  OG1  . THR A 67  ? 1.26329 0.92786 1.32046 -0.22577 -0.05824 0.08688  386 THR A OG1  
996  C  CG2  . THR A 67  ? 1.36360 0.87509 1.46384 -0.21144 -0.02484 0.03673  386 THR A CG2  
997  H  H    . THR A 67  ? 0.94411 0.94411 0.94411 -0.00000 0.00000  0.00000  386 THR A H    
998  H  HA   . THR A 67  ? 1.21642 1.21642 1.21642 0.00000  0.00000  -0.00000 386 THR A HA   
999  H  HB   . THR A 67  ? 1.07989 1.07989 1.07989 -0.00000 0.00000  0.00000  386 THR A HB   
1000 H  HG21 . THR A 67  ? 1.48371 1.48371 1.48371 -0.00000 0.00000  0.00000  386 THR A HG21 
1001 H  HG22 . THR A 67  ? 1.48371 1.48371 1.48371 -0.00000 0.00000  0.00000  386 THR A HG22 
1002 H  HG23 . THR A 67  ? 1.48371 1.48371 1.48371 -0.00000 0.00000  0.00000  386 THR A HG23 
1003 N  N    . LYS A 68  ? 1.08088 0.84642 1.01118 -0.18151 -0.05227 0.04084  387 LYS A N    
1004 C  CA   . LYS A 68  ? 1.02906 0.86452 0.91847 -0.19363 -0.06445 0.04138  387 LYS A CA   
1005 C  C    . LYS A 68  ? 0.89873 0.77078 0.75013 -0.16265 -0.05457 0.03080  387 LYS A C    
1006 O  O    . LYS A 68  ? 1.21705 1.12952 1.03118 -0.17161 -0.05822 0.01711  387 LYS A O    
1007 C  CB   . LYS A 68  ? 1.23247 1.12847 1.14323 -0.20082 -0.07897 0.09429  387 LYS A CB   
1008 C  CG   . LYS A 68  ? 1.50853 1.37869 1.46403 -0.23751 -0.09025 0.11122  387 LYS A CG   
1009 C  CD   . LYS A 68  ? 1.56478 1.50263 1.54383 -0.24350 -0.10181 0.16894  387 LYS A CD   
1010 C  CE   . LYS A 68  ? 1.63561 1.54485 1.67417 -0.27489 -0.10965 0.19523  387 LYS A CE   
1011 N  NZ   . LYS A 68  ? 1.42601 1.40902 1.49041 -0.27468 -0.11684 0.25953  387 LYS A NZ   
1012 H  H    . LYS A 68  ? 1.17810 1.17810 1.17810 -0.00000 0.00000  -0.00000 387 LYS A H    
1013 H  HA   . LYS A 68  ? 1.12752 1.12752 1.12752 -0.00000 0.00000  0.00000  387 LYS A HA   
1014 H  HB2  . LYS A 68  ? 1.40437 1.40437 1.40437 -0.00000 0.00000  0.00000  387 LYS A HB2  
1015 H  HB3  . LYS A 68  ? 1.40437 1.40437 1.40437 -0.00000 0.00000  0.00000  387 LYS A HB3  
1016 H  HG2  . LYS A 68  ? 1.74321 1.74321 1.74321 0.00000  -0.00000 -0.00000 387 LYS A HG2  
1017 H  HG3  . LYS A 68  ? 1.74321 1.74321 1.74321 0.00000  -0.00000 -0.00000 387 LYS A HG3  
1018 H  HD2  . LYS A 68  ? 1.84720 1.84720 1.84720 0.00000  0.00000  -0.00000 387 LYS A HD2  
1019 H  HD3  . LYS A 68  ? 1.84720 1.84720 1.84720 0.00000  0.00000  -0.00000 387 LYS A HD3  
1020 H  HE2  . LYS A 68  ? 1.94456 1.94456 1.94456 -0.00000 0.00000  -0.00000 387 LYS A HE2  
1021 H  HE3  . LYS A 68  ? 1.94456 1.94456 1.94456 -0.00000 0.00000  -0.00000 387 LYS A HE3  
1022 H  HZ1  . LYS A 68  ? 1.73288 1.73288 1.73288 0.00000  0.00000  -0.00000 387 LYS A HZ1  
1023 H  HZ2  . LYS A 68  ? 1.73288 1.73288 1.73288 0.00000  0.00000  -0.00000 387 LYS A HZ2  
1024 H  HZ3  . LYS A 68  ? 1.73288 1.73288 1.73288 0.00000  0.00000  -0.00000 387 LYS A HZ3  
1025 N  N    . VAL A 69  ? 1.15130 1.01251 1.01706 -0.12699 -0.04285 0.04009  388 VAL A N    
1026 C  CA   . VAL A 69  ? 0.72008 0.61235 0.56263 -0.09857 -0.03392 0.03390  388 VAL A CA   
1027 C  C    . VAL A 69  ? 0.92940 0.76901 0.78853 -0.07463 -0.01603 0.01483  388 VAL A C    
1028 O  O    . VAL A 69  ? 0.78734 0.59071 0.68393 -0.06723 -0.01403 0.02795  388 VAL A O    
1029 C  CB   . VAL A 69  ? 0.99992 0.94593 0.84845 -0.07900 -0.04149 0.07042  388 VAL A CB   
1030 C  CG1  . VAL A 69  ? 0.68262 0.65525 0.51511 -0.05257 -0.03299 0.06318  388 VAL A CG1  
1031 C  CG2  . VAL A 69  ? 1.08148 1.07890 0.92238 -0.09976 -0.05572 0.09679  388 VAL A CG2  
1032 H  H    . VAL A 69  ? 1.27505 1.27505 1.27505 0.00000  0.00000  -0.00000 388 VAL A H    
1033 H  HA   . VAL A 69  ? 0.76072 0.76072 0.76072 0.00000  -0.00000 -0.00000 388 VAL A HA   
1034 H  HB   . VAL A 69  ? 1.12042 1.12042 1.12042 0.00000  0.00000  -0.00000 388 VAL A HB   
1035 H  HG11 . VAL A 69  ? 0.74389 0.74389 0.74389 -0.00000 0.00000  -0.00000 388 VAL A HG11 
1036 H  HG12 . VAL A 69  ? 0.74389 0.74389 0.74389 -0.00000 0.00000  -0.00000 388 VAL A HG12 
1037 H  HG13 . VAL A 69  ? 0.74389 0.74389 0.74389 -0.00000 0.00000  -0.00000 388 VAL A HG13 
1038 H  HG21 . VAL A 69  ? 1.23581 1.23581 1.23581 0.00000  0.00000  -0.00000 388 VAL A HG21 
1039 H  HG22 . VAL A 69  ? 1.23581 1.23581 1.23581 0.00000  0.00000  -0.00000 388 VAL A HG22 
1040 H  HG23 . VAL A 69  ? 1.23581 1.23581 1.23581 0.00000  0.00000  -0.00000 388 VAL A HG23 
1041 N  N    . GLY A 70  ? 0.82175 0.66345 0.65720 -0.06140 -0.00197 -0.01025 389 GLY A N    
1042 C  CA   . GLY A 70  ? 0.73207 0.53523 0.58631 -0.03490 0.01776  -0.02316 389 GLY A CA   
1043 C  C    . GLY A 70  ? 0.73238 0.56506 0.61212 -0.00644 0.01613  0.00267  389 GLY A C    
1044 O  O    . GLY A 70  ? 0.67892 0.55990 0.55069 -0.00543 0.00296  0.02195  389 GLY A O    
1045 H  H    . GLY A 70  ? 0.85966 0.85966 0.85966 -0.00000 -0.00000 -0.00000 389 GLY A H    
1046 H  HA2  . GLY A 70  ? 0.74414 0.74414 0.74414 -0.00000 0.00000  -0.00000 389 GLY A HA2  
1047 H  HA3  . GLY A 70  ? 0.74414 0.74414 0.74414 -0.00000 0.00000  -0.00000 389 GLY A HA3  
1048 N  N    . LYS A 71  ? 0.66216 0.46442 0.57391 0.01624  0.02997  0.00123  390 LYS A N    
1049 C  CA   . LYS A 71  ? 0.61354 0.44339 0.55435 0.04005  0.02513  0.02256  390 LYS A CA   
1050 C  C    . LYS A 71  ? 0.59161 0.44664 0.52259 0.05386  0.03769  0.01259  390 LYS A C    
1051 O  O    . LYS A 71  ? 0.74512 0.59300 0.64805 0.04970  0.05386  -0.00933 390 LYS A O    
1052 C  CB   . LYS A 71  ? 1.08730 0.88434 1.07806 0.05698  0.03022  0.03527  390 LYS A CB   
1053 C  CG   . LYS A 71  ? 1.32850 1.08624 1.33586 0.07242  0.05769  0.01755  390 LYS A CG   
1054 C  CD   . LYS A 71  ? 1.03471 0.76857 1.09981 0.09166  0.06296  0.03799  390 LYS A CD   
1055 C  CE   . LYS A 71  ? 1.49748 1.24006 1.58479 0.08524  0.04044  0.06810  390 LYS A CE   
1056 N  NZ   . LYS A 71  ? 1.66967 1.36062 1.77176 0.07608  0.04950  0.06895  390 LYS A NZ   
1057 H  H    . LYS A 71  ? 0.66669 0.66669 0.66669 0.00000  0.00000  -0.00000 390 LYS A H    
1058 H  HA   . LYS A 71  ? 0.63101 0.63101 0.63101 -0.00000 0.00000  -0.00000 390 LYS A HA   
1059 H  HB2  . LYS A 71  ? 1.22258 1.22258 1.22258 -0.00000 -0.00000 -0.00000 390 LYS A HB2  
1060 H  HB3  . LYS A 71  ? 1.22258 1.22258 1.22258 -0.00000 -0.00000 -0.00000 390 LYS A HB3  
1061 H  HG2  . LYS A 71  ? 1.50294 1.50294 1.50294 0.00000  0.00000  -0.00000 390 LYS A HG2  
1062 H  HG3  . LYS A 71  ? 1.50294 1.50294 1.50294 0.00000  0.00000  -0.00000 390 LYS A HG3  
1063 H  HD2  . LYS A 71  ? 1.16393 1.16393 1.16393 -0.00000 0.00000  -0.00000 390 LYS A HD2  
1064 H  HD3  . LYS A 71  ? 1.16393 1.16393 1.16393 -0.00000 0.00000  -0.00000 390 LYS A HD3  
1065 H  HE2  . LYS A 71  ? 1.73163 1.73163 1.73163 -0.00000 -0.00000 0.00000  390 LYS A HE2  
1066 H  HE3  . LYS A 71  ? 1.73163 1.73163 1.73163 -0.00000 -0.00000 0.00000  390 LYS A HE3  
1067 H  HZ1  . LYS A 71  ? 1.92352 1.92352 1.92352 -0.00000 -0.00000 0.00000  390 LYS A HZ1  
1068 H  HZ2  . LYS A 71  ? 1.92352 1.92352 1.92352 -0.00000 -0.00000 0.00000  390 LYS A HZ2  
1069 H  HZ3  . LYS A 71  ? 1.92352 1.92352 1.92352 -0.00000 -0.00000 0.00000  390 LYS A HZ3  
1070 N  N    . ALA A 72  ? 0.54908 0.43379 0.50276 0.06904  0.03000  0.02823  391 ALA A N    
1071 C  CA   . ALA A 72  ? 0.63542 0.54413 0.59622 0.08312  0.04112  0.02687  391 ALA A CA   
1072 C  C    . ALA A 72  ? 0.72559 0.60784 0.70805 0.09820  0.06605  0.01828  391 ALA A C    
1073 O  O    . ALA A 72  ? 0.58092 0.42509 0.58180 0.10150  0.07219  0.01579  391 ALA A O    
1074 C  CB   . ALA A 72  ? 0.56636 0.49745 0.55975 0.09435  0.02544  0.04271  391 ALA A CB   
1075 H  H    . ALA A 72  ? 0.58075 0.58075 0.58075 -0.00000 -0.00000 0.00000  391 ALA A H    
1076 H  HA   . ALA A 72  ? 0.71301 0.71301 0.71301 0.00000  -0.00000 0.00000  391 ALA A HA   
1077 H  HB1  . ALA A 72  ? 0.65212 0.65212 0.65212 -0.00000 -0.00000 -0.00000 391 ALA A HB1  
1078 H  HB2  . ALA A 72  ? 0.65212 0.65212 0.65212 -0.00000 -0.00000 -0.00000 391 ALA A HB2  
1079 H  HB3  . ALA A 72  ? 0.65212 0.65212 0.65212 -0.00000 -0.00000 -0.00000 391 ALA A HB3  
1080 N  N    . CYS A 73  ? 0.57318 0.47808 0.55781 0.11020  0.08299  0.01783  392 CYS A N    
1081 C  CA   . CYS A 73  ? 0.57225 0.46215 0.56569 0.12659  0.11250  0.00979  392 CYS A CA   
1082 C  C    . CYS A 73  ? 0.54265 0.45269 0.59491 0.14836  0.12088  0.03142  392 CYS A C    
1083 O  O    . CYS A 73  ? 0.50701 0.45176 0.57258 0.14922  0.11336  0.04461  392 CYS A O    
1084 C  CB   . CYS A 73  ? 0.77154 0.67935 0.70894 0.12084  0.12849  -0.00783 392 CYS A CB   
1085 S  SG   . CYS A 73  ? 1.06563 0.94501 0.98165 0.13653  0.16550  -0.03243 392 CYS A SG   
1086 H  H    . CYS A 73  ? 0.64633 0.64633 0.64633 -0.00000 0.00000  -0.00000 392 CYS A H    
1087 H  HA   . CYS A 73  ? 0.62653 0.62653 0.62653 -0.00000 0.00000  -0.00000 392 CYS A HA   
1088 H  HB2  . CYS A 73  ? 0.86663 0.86663 0.86663 -0.00000 -0.00000 -0.00000 392 CYS A HB2  
1089 H  HB3  . CYS A 73  ? 0.86663 0.86663 0.86663 -0.00000 -0.00000 -0.00000 392 CYS A HB3  
1090 N  N    . CYS A 74  ? 0.36518 0.56182 0.37842 0.03974  -0.01032 -0.04497 393 CYS A N    
1091 C  CA   . CYS A 74  ? 0.53159 0.76734 0.54311 0.03184  -0.00564 -0.05344 393 CYS A CA   
1092 C  C    . CYS A 74  ? 0.59867 0.85362 0.59594 -0.00820 -0.00629 -0.02976 393 CYS A C    
1093 O  O    . CYS A 74  ? 0.36149 0.60676 0.36801 -0.02279 0.00377  -0.01164 393 CYS A O    
1094 C  CB   . CYS A 74  ? 0.33908 0.58220 0.35705 0.03181  -0.00586 -0.04833 393 CYS A CB   
1095 S  SG   . CYS A 74  ? 0.42753 0.74197 0.44110 0.01659  -0.00291 -0.06652 393 CYS A SG   
1096 H  H    . CYS A 74  ? 0.52487 0.52487 0.52487 0.00000  -0.00000 -0.00000 393 CYS A H    
1097 H  HA   . CYS A 74  ? 0.73952 0.73952 0.73952 -0.00000 0.00000  -0.00000 393 CYS A HA   
1098 H  HB2  . CYS A 74  ? 0.51404 0.51404 0.51404 -0.00000 -0.00000 -0.00000 393 CYS A HB2  
1099 H  HB3  . CYS A 74  ? 0.51404 0.51404 0.51404 -0.00000 -0.00000 -0.00000 393 CYS A HB3  
1100 N  N    . VAL A 75  ? 0.34903 0.55753 0.34675 -0.02421 -0.05705 -0.02186 394 VAL A N    
1101 C  CA   . VAL A 75  ? 0.37834 0.59705 0.38102 -0.05811 -0.06948 0.00891  394 VAL A CA   
1102 C  C    . VAL A 75  ? 0.55484 0.76745 0.58844 -0.09163 -0.10842 0.01553  394 VAL A C    
1103 O  O    . VAL A 75  ? 0.35321 0.54958 0.41116 -0.08053 -0.13515 -0.01492 394 VAL A O    
1104 C  CB   . VAL A 75  ? 0.58847 0.78060 0.58131 -0.04323 -0.08427 0.01460  394 VAL A CB   
1105 C  CG1  . VAL A 75  ? 0.51495 0.72555 0.49307 -0.02877 -0.03814 0.00817  394 VAL A CG1  
1106 C  CG2  . VAL A 75  ? 0.61095 0.75331 0.61410 -0.01526 -0.12907 -0.00950 394 VAL A CG2  
1107 H  H    . VAL A 75  ? 0.50403 0.50403 0.50403 -0.00000 0.00000  -0.00000 394 VAL A H    
1108 H  HA   . VAL A 75  ? 0.54527 0.54527 0.54527 -0.00000 -0.00000 0.00000  394 VAL A HA   
1109 H  HB   . VAL A 75  ? 0.78285 0.78285 0.78285 -0.00000 -0.00000 -0.00000 394 VAL A HB   
1110 H  HG11 . VAL A 75  ? 0.69613 0.69613 0.69613 -0.00000 0.00000  -0.00000 394 VAL A HG11 
1111 H  HG12 . VAL A 75  ? 0.69613 0.69613 0.69613 -0.00000 0.00000  -0.00000 394 VAL A HG12 
1112 H  HG13 . VAL A 75  ? 0.69613 0.69613 0.69613 -0.00000 0.00000  -0.00000 394 VAL A HG13 
1113 H  HG21 . VAL A 75  ? 0.79404 0.79404 0.79404 -0.00000 0.00000  -0.00000 394 VAL A HG21 
1114 H  HG22 . VAL A 75  ? 0.79404 0.79404 0.79404 -0.00000 0.00000  -0.00000 394 VAL A HG22 
1115 H  HG23 . VAL A 75  ? 0.79404 0.79404 0.79404 -0.00000 0.00000  -0.00000 394 VAL A HG23 
1116 N  N    . PRO A 76  ? 0.26067 0.47521 0.29316 -0.13979 -0.11218 0.05713  395 PRO A N    
1117 C  CA   . PRO A 76  ? 0.39938 0.57714 0.45778 -0.18441 -0.14446 0.06841  395 PRO A CA   
1118 C  C    . PRO A 76  ? 0.47268 0.57949 0.53547 -0.17450 -0.18820 0.06835  395 PRO A C    
1119 O  O    . PRO A 76  ? 0.48287 0.56709 0.51810 -0.14182 -0.19382 0.08623  395 PRO A O    
1120 C  CB   . PRO A 76  ? 0.51858 0.68959 0.55773 -0.22705 -0.13346 0.11919  395 PRO A CB   
1121 C  CG   . PRO A 76  ? 0.40674 0.62801 0.41288 -0.20332 -0.09585 0.12182  395 PRO A CG   
1122 C  CD   . PRO A 76  ? 0.29757 0.53432 0.29860 -0.15732 -0.08339 0.09509  395 PRO A CD   
1123 H  HA   . PRO A 76  ? 0.57642 0.57642 0.57642 -0.00000 -0.00000 -0.00000 395 PRO A HA   
1124 H  HB2  . PRO A 76  ? 0.70906 0.70906 0.70906 -0.00000 0.00000  0.00000  395 PRO A HB2  
1125 H  HB3  . PRO A 76  ? 0.70906 0.70906 0.70906 -0.00000 0.00000  0.00000  395 PRO A HB3  
1126 H  HG2  . PRO A 76  ? 0.58175 0.58175 0.58175 -0.00000 -0.00000 -0.00000 395 PRO A HG2  
1127 H  HG3  . PRO A 76  ? 0.58175 0.58175 0.58175 -0.00000 -0.00000 -0.00000 395 PRO A HG3  
1128 H  HD2  . PRO A 76  ? 0.45490 0.45490 0.45490 -0.00000 -0.00000 -0.00000 395 PRO A HD2  
1129 H  HD3  . PRO A 76  ? 0.45490 0.45490 0.45490 -0.00000 -0.00000 -0.00000 395 PRO A HD3  
1130 N  N    . THR A 77  ? 0.43554 0.49635 0.52500 -0.18988 -0.20342 0.04275  396 THR A N    
1131 C  CA   . THR A 77  ? 0.64531 0.60860 0.72881 -0.16830 -0.22614 0.03889  396 THR A CA   
1132 C  C    . THR A 77  ? 0.61267 0.48932 0.69419 -0.21831 -0.22117 0.06013  396 THR A C    
1133 O  O    . THR A 77  ? 0.86650 0.64225 0.93169 -0.20722 -0.23128 0.06703  396 THR A O    
1134 C  CB   . THR A 77  ? 0.47053 0.44769 0.58043 -0.13576 -0.24229 -0.01843 396 THR A CB   
1135 O  OG1  . THR A 77  ? 0.46641 0.49413 0.61092 -0.16947 -0.23197 -0.05209 396 THR A OG1  
1136 C  CG2  . THR A 77  ? 0.56332 0.60108 0.65561 -0.08084 -0.22972 -0.03588 396 THR A CG2  
1137 H  H    . THR A 77  ? 0.58546 0.58546 0.58546 0.00000  -0.00000 -0.00000 396 THR A H    
1138 H  HA   . THR A 77  ? 0.79579 0.79579 0.79579 -0.00000 0.00000  -0.00000 396 THR A HA   
1139 H  HB   . THR A 77  ? 0.58595 0.58595 0.58595 -0.00000 0.00000  -0.00000 396 THR A HB   
1140 H  HG1  . THR A 77  ? 0.61508 0.61508 0.61508 -0.00000 0.00000  0.00000  396 THR A HG1  
1141 H  HG21 . THR A 77  ? 0.73071 0.73071 0.73071 -0.00000 0.00000  0.00000  396 THR A HG21 
1142 H  HG22 . THR A 77  ? 0.73071 0.73071 0.73071 -0.00000 0.00000  0.00000  396 THR A HG22 
1143 H  HG23 . THR A 77  ? 0.73071 0.73071 0.73071 -0.00000 0.00000  0.00000  396 THR A HG23 
1144 N  N    . LYS A 78  ? 0.78332 0.69445 0.87903 -0.27471 -0.20039 0.06631  397 LYS A N    
1145 C  CA   . LYS A 78  ? 0.73137 0.55216 0.81314 -0.32712 -0.18354 0.09003  397 LYS A CA   
1146 C  C    . LYS A 78  ? 0.71245 0.58727 0.78774 -0.36226 -0.15537 0.11617  397 LYS A C    
1147 O  O    . LYS A 78  ? 0.62738 0.61070 0.72710 -0.35258 -0.14143 0.08959  397 LYS A O    
1148 C  CB   . LYS A 78  ? 0.78561 0.57765 0.90491 -0.36456 -0.17943 0.03848  397 LYS A CB   
1149 C  CG   . LYS A 78  ? 0.94523 0.63309 1.04361 -0.41041 -0.14489 0.05059  397 LYS A CG   
1150 C  CD   . LYS A 78  ? 1.01720 0.68468 1.15562 -0.43793 -0.12996 -0.01054 397 LYS A CD   
1151 C  CE   . LYS A 78  ? 1.13127 0.67877 1.24651 -0.47896 -0.08792 0.00041  397 LYS A CE   
1152 N  NZ   . LYS A 78  ? 1.58775 1.15925 1.69766 -0.50619 -0.05662 0.02575  397 LYS A NZ   
1153 H  H    . LYS A 78  ? 0.94542 0.94542 0.94542 -0.00000 -0.00000 0.00000  397 LYS A H    
1154 H  HA   . LYS A 78  ? 0.82516 0.82516 0.82516 -0.00000 0.00000  0.00000  397 LYS A HA   
1155 H  HB2  . LYS A 78  ? 0.89600 0.89600 0.89600 -0.00000 0.00000  -0.00000 397 LYS A HB2  
1156 H  HB3  . LYS A 78  ? 0.89600 0.89600 0.89600 -0.00000 0.00000  -0.00000 397 LYS A HB3  
1157 H  HG2  . LYS A 78  ? 1.05147 1.05147 1.05147 -0.00000 -0.00000 -0.00000 397 LYS A HG2  
1158 H  HG3  . LYS A 78  ? 1.05147 1.05147 1.05147 -0.00000 -0.00000 -0.00000 397 LYS A HG3  
1159 H  HD2  . LYS A 78  ? 1.14570 1.14570 1.14570 -0.00000 0.00000  -0.00000 397 LYS A HD2  
1160 H  HD3  . LYS A 78  ? 1.14570 1.14570 1.14570 -0.00000 0.00000  -0.00000 397 LYS A HD3  
1161 H  HE2  . LYS A 78  ? 1.22532 1.22532 1.22532 0.00000  0.00000  -0.00000 397 LYS A HE2  
1162 H  HE3  . LYS A 78  ? 1.22532 1.22532 1.22532 0.00000  0.00000  -0.00000 397 LYS A HE3  
1163 H  HZ1  . LYS A 78  ? 1.78057 1.78057 1.78057 -0.00000 -0.00000 -0.00000 397 LYS A HZ1  
1164 H  HZ2  . LYS A 78  ? 1.78057 1.78057 1.78057 -0.00000 -0.00000 -0.00000 397 LYS A HZ2  
1165 H  HZ3  . LYS A 78  ? 1.78057 1.78057 1.78057 -0.00000 -0.00000 -0.00000 397 LYS A HZ3  
1166 N  N    . LEU A 79  ? 0.66180 0.57386 0.56606 -0.07055 -0.03360 -0.07614 398 LEU A N    
1167 C  CA   . LEU A 79  ? 0.54382 0.47133 0.45568 -0.07835 -0.03780 -0.06664 398 LEU A CA   
1168 C  C    . LEU A 79  ? 0.60971 0.51044 0.50751 -0.09907 -0.03350 -0.06864 398 LEU A C    
1169 O  O    . LEU A 79  ? 0.61758 0.47770 0.50266 -0.10260 -0.02696 -0.07332 398 LEU A O    
1170 C  CB   . LEU A 79  ? 0.54177 0.46741 0.46199 -0.06161 -0.03985 -0.05190 398 LEU A CB   
1171 C  CG   . LEU A 79  ? 0.57608 0.52672 0.51411 -0.04278 -0.04330 -0.04883 398 LEU A CG   
1172 C  CD1  . LEU A 79  ? 0.49643 0.44057 0.44056 -0.02827 -0.04561 -0.03563 398 LEU A CD1  
1173 C  CD2  . LEU A 79  ? 0.49647 0.48889 0.45224 -0.04709 -0.04753 -0.05131 398 LEU A CD2  
1174 H  H    . LEU A 79  ? 0.72339 0.72339 0.72339 -0.00000 0.00000  -0.00000 398 LEU A H    
1175 H  HA   . LEU A 79  ? 0.57483 0.57483 0.57483 -0.00000 0.00000  0.00000  398 LEU A HA   
1176 H  HB2  . LEU A 79  ? 0.59117 0.59117 0.59117 -0.00000 -0.00000 -0.00000 398 LEU A HB2  
1177 H  HB3  . LEU A 79  ? 0.59117 0.59117 0.59117 -0.00000 -0.00000 -0.00000 398 LEU A HB3  
1178 H  HG   . LEU A 79  ? 0.64947 0.64947 0.64947 -0.00000 0.00000  0.00000  398 LEU A HG   
1179 H  HD11 . LEU A 79  ? 0.53752 0.53752 0.53752 -0.00000 0.00000  -0.00000 398 LEU A HD11 
1180 H  HD12 . LEU A 79  ? 0.53752 0.53752 0.53752 -0.00000 0.00000  -0.00000 398 LEU A HD12 
1181 H  HD13 . LEU A 79  ? 0.53752 0.53752 0.53752 -0.00000 0.00000  -0.00000 398 LEU A HD13 
1182 H  HD21 . LEU A 79  ? 0.57774 0.57774 0.57774 0.00000  0.00000  -0.00000 398 LEU A HD21 
1183 H  HD22 . LEU A 79  ? 0.57774 0.57774 0.57774 0.00000  0.00000  -0.00000 398 LEU A HD22 
1184 H  HD23 . LEU A 79  ? 0.57774 0.57774 0.57774 0.00000  0.00000  -0.00000 398 LEU A HD23 
1185 N  N    . SER A 80  ? 0.56682 0.49061 0.46954 -0.11348 -0.03551 -0.06590 399 SER A N    
1186 C  CA   . SER A 80  ? 0.59859 0.50196 0.49036 -0.13490 -0.03058 -0.06487 399 SER A CA   
1187 C  C    . SER A 80  ? 0.59559 0.50310 0.48660 -0.13456 -0.03022 -0.04863 399 SER A C    
1188 O  O    . SER A 80  ? 0.60329 0.54334 0.50587 -0.12443 -0.03435 -0.04536 399 SER A O    
1189 C  CB   . SER A 80  ? 0.62251 0.55723 0.52080 -0.15680 -0.03181 -0.07667 399 SER A CB   
1190 O  OG   . SER A 80  ? 0.80970 0.74713 0.70496 -0.16019 -0.03383 -0.09180 399 SER A OG   
1191 H  H    . SER A 80  ? 0.59728 0.59728 0.59728 0.00000  0.00000  -0.00000 399 SER A H    
1192 H  HA   . SER A 80  ? 0.62286 0.62286 0.62286 0.00000  0.00000  -0.00000 399 SER A HA   
1193 H  HB2  . SER A 80  ? 0.68292 0.68292 0.68292 0.00000  0.00000  -0.00000 399 SER A HB2  
1194 H  HB3  . SER A 80  ? 0.68292 0.68292 0.68292 0.00000  0.00000  -0.00000 399 SER A HB3  
1195 H  HG   . SER A 80  ? 0.90742 0.90742 0.90742 -0.00000 -0.00000 -0.00000 399 SER A HG   
1196 N  N    . PRO A 81  ? 0.66984 0.54869 0.54756 -0.14924 -0.02451 -0.03953 400 PRO A N    
1197 C  CA   . PRO A 81  ? 0.63611 0.52502 0.50803 -0.15341 -0.02367 -0.02340 400 PRO A CA   
1198 C  C    . PRO A 81  ? 0.69646 0.62407 0.57428 -0.17350 -0.02050 -0.02952 400 PRO A C    
1199 O  O    . PRO A 81  ? 0.61776 0.55962 0.50489 -0.18766 -0.01900 -0.04330 400 PRO A O    
1200 C  CB   . PRO A 81  ? 0.68799 0.52711 0.54454 -0.16025 -0.01787 -0.00813 400 PRO A CB   
1201 C  CG   . PRO A 81  ? 0.71235 0.52530 0.56967 -0.17645 -0.01207 -0.02620 400 PRO A CG   
1202 C  CD   . PRO A 81  ? 0.67872 0.51370 0.54622 -0.16368 -0.01761 -0.04462 400 PRO A CD   
1203 H  HA   . PRO A 81  ? 0.65416 0.65416 0.65416 -0.00000 -0.00000 0.00000  400 PRO A HA   
1204 H  HB2  . PRO A 81  ? 0.70434 0.70434 0.70434 -0.00000 0.00000  0.00000  400 PRO A HB2  
1205 H  HB3  . PRO A 81  ? 0.70434 0.70434 0.70434 -0.00000 0.00000  0.00000  400 PRO A HB3  
1206 H  HG2  . PRO A 81  ? 0.70942 0.70942 0.70942 0.00000  0.00000  -0.00000 400 PRO A HG2  
1207 H  HG3  . PRO A 81  ? 0.70942 0.70942 0.70942 0.00000  0.00000  -0.00000 400 PRO A HG3  
1208 H  HD2  . PRO A 81  ? 0.68195 0.68195 0.68195 -0.00000 0.00000  -0.00000 400 PRO A HD2  
1209 H  HD3  . PRO A 81  ? 0.68195 0.68195 0.68195 -0.00000 0.00000  -0.00000 400 PRO A HD3  
1210 N  N    . ILE A 82  ? 0.64519 0.59305 0.51789 -0.17496 -0.01921 -0.01935 401 ILE A N    
1211 C  CA   . ILE A 82  ? 0.67086 0.65004 0.54561 -0.19520 -0.01216 -0.02228 401 ILE A CA   
1212 C  C    . ILE A 82  ? 0.75965 0.72306 0.61010 -0.20459 -0.00753 -0.00102 401 ILE A C    
1213 O  O    . ILE A 82  ? 0.67652 0.61178 0.51312 -0.19234 -0.01202 0.01616  401 ILE A O    
1214 C  CB   . ILE A 82  ? 0.76116 0.79119 0.65631 -0.18778 -0.01277 -0.03527 401 ILE A CB   
1215 C  CG1  . ILE A 82  ? 0.66769 0.70702 0.55459 -0.17368 -0.01609 -0.02868 401 ILE A CG1  
1216 C  CG2  . ILE A 82  ? 0.60501 0.64932 0.52544 -0.17579 -0.01864 -0.04966 401 ILE A CG2  
1217 C  CD1  . ILE A 82  ? 0.63194 0.71797 0.53585 -0.17294 -0.01170 -0.04312 401 ILE A CD1  
1218 H  H    . ILE A 82  ? 0.70516 0.70516 0.70516 0.00000  -0.00000 -0.00000 401 ILE A H    
1219 H  HA   . ILE A 82  ? 0.74931 0.74931 0.74931 -0.00000 -0.00000 -0.00000 401 ILE A HA   
1220 H  HB   . ILE A 82  ? 0.88616 0.88616 0.88616 -0.00000 -0.00000 -0.00000 401 ILE A HB   
1221 H  HG12 . ILE A 82  ? 0.77442 0.77442 0.77442 -0.00000 -0.00000 0.00000  401 ILE A HG12 
1222 H  HG13 . ILE A 82  ? 0.77442 0.77442 0.77442 -0.00000 -0.00000 0.00000  401 ILE A HG13 
1223 H  HG21 . ILE A 82  ? 0.71461 0.71461 0.71461 0.00000  -0.00000 -0.00000 401 ILE A HG21 
1224 H  HG22 . ILE A 82  ? 0.71461 0.71461 0.71461 0.00000  -0.00000 -0.00000 401 ILE A HG22 
1225 H  HG23 . ILE A 82  ? 0.71461 0.71461 0.71461 0.00000  -0.00000 -0.00000 401 ILE A HG23 
1226 H  HD11 . ILE A 82  ? 0.75701 0.75701 0.75701 -0.00000 0.00000  -0.00000 401 ILE A HD11 
1227 H  HD12 . ILE A 82  ? 0.75701 0.75701 0.75701 -0.00000 0.00000  -0.00000 401 ILE A HD12 
1228 H  HD13 . ILE A 82  ? 0.75701 0.75701 0.75701 -0.00000 0.00000  -0.00000 401 ILE A HD13 
1229 N  N    . SER A 83  ? 0.66874 0.65348 0.51572 -0.22661 0.00177  -0.00043 402 SER A N    
1230 C  CA   . SER A 83  ? 0.70553 0.68638 0.52774 -0.23846 0.00743  0.02094  402 SER A CA   
1231 C  C    . SER A 83  ? 0.72361 0.75229 0.54294 -0.23441 0.00826  0.01500  402 SER A C    
1232 O  O    . SER A 83  ? 0.64983 0.71633 0.49106 -0.23462 0.01195  -0.00699 402 SER A O    
1233 C  CB   . SER A 83  ? 0.81278 0.79059 0.63201 -0.26770 0.01964  0.02491  402 SER A CB   
1234 O  OG   . SER A 83  ? 0.84977 0.77995 0.67207 -0.27390 0.01972  0.02714  402 SER A OG   
1235 H  H    . SER A 83  ? 0.72167 0.72167 0.72167 0.00000  -0.00000 -0.00000 402 SER A H    
1236 H  HA   . SER A 83  ? 0.75435 0.75435 0.75435 -0.00000 0.00000  0.00000  402 SER A HA   
1237 H  HB2  . SER A 83  ? 0.89685 0.89685 0.89685 -0.00000 0.00000  0.00000  402 SER A HB2  
1238 H  HB3  . SER A 83  ? 0.89685 0.89685 0.89685 -0.00000 0.00000  0.00000  402 SER A HB3  
1239 H  HG   . SER A 83  ? 0.92342 0.92342 0.92342 -0.00000 0.00000  0.00000  402 SER A HG   
1240 N  N    . VAL A 84  ? 0.78077 0.80770 0.57470 -0.23047 0.00470  0.03464  403 VAL A N    
1241 C  CA   . VAL A 84  ? 0.69935 0.77169 0.48311 -0.23181 0.00663  0.02833  403 VAL A CA   
1242 C  C    . VAL A 84  ? 0.74837 0.82559 0.49679 -0.24948 0.01205  0.05348  403 VAL A C    
1243 O  O    . VAL A 84  ? 0.78510 0.82689 0.51599 -0.24804 0.00670  0.08320  403 VAL A O    
1244 C  CB   . VAL A 84  ? 0.67403 0.75509 0.46238 -0.20846 -0.00626 0.02280  403 VAL A CB   
1245 C  CG1  . VAL A 84  ? 0.77137 0.85644 0.59579 -0.19304 -0.00909 -0.00214 403 VAL A CG1  
1246 C  CG2  . VAL A 84  ? 0.74662 0.79315 0.51941 -0.19491 -0.01872 0.05076  403 VAL A CG2  
1247 H  H    . VAL A 84  ? 0.86797 0.86797 0.86797 0.00000  -0.00000 -0.00000 403 VAL A H    
1248 H  HA   . VAL A 84  ? 0.76998 0.76998 0.76998 -0.00000 -0.00000 -0.00000 403 VAL A HA   
1249 H  HB   . VAL A 84  ? 0.74309 0.74309 0.74309 -0.00000 -0.00000 -0.00000 403 VAL A HB   
1250 H  HG11 . VAL A 84  ? 0.89214 0.89214 0.89214 0.00000  -0.00000 0.00000  403 VAL A HG11 
1251 H  HG12 . VAL A 84  ? 0.89214 0.89214 0.89214 0.00000  -0.00000 0.00000  403 VAL A HG12 
1252 H  HG13 . VAL A 84  ? 0.89214 0.89214 0.89214 0.00000  -0.00000 0.00000  403 VAL A HG13 
1253 H  HG21 . VAL A 84  ? 0.82637 0.82637 0.82637 -0.00000 0.00000  0.00000  403 VAL A HG21 
1254 H  HG22 . VAL A 84  ? 0.82637 0.82637 0.82637 -0.00000 0.00000  0.00000  403 VAL A HG22 
1255 H  HG23 . VAL A 84  ? 0.82637 0.82637 0.82637 -0.00000 0.00000  0.00000  403 VAL A HG23 
1256 N  N    . LEU A 85  ? 0.75117 0.87294 0.49165 -0.26592 0.02415  0.04165  404 LEU A N    
1257 C  CA   . LEU A 85  ? 0.79503 0.93778 0.49726 -0.28188 0.02906  0.06159  404 LEU A CA   
1258 C  C    . LEU A 85  ? 0.80379 0.97742 0.48863 -0.27136 0.01923  0.05741  404 LEU A C    
1259 O  O    . LEU A 85  ? 0.91119 1.12262 0.60711 -0.27017 0.02426  0.02633  404 LEU A O    
1260 C  CB   . LEU A 85  ? 0.80279 0.98227 0.50497 -0.30618 0.04947  0.04748  404 LEU A CB   
1261 C  CG   . LEU A 85  ? 0.85297 1.05711 0.51430 -0.32770 0.05885  0.06779  404 LEU A CG   
1262 C  CD1  . LEU A 85  ? 0.96485 1.12556 0.60455 -0.33507 0.05472  0.11134  404 LEU A CD1  
1263 C  CD2  . LEU A 85  ? 0.85373 1.09982 0.52297 -0.34990 0.08203  0.04657  404 LEU A CD2  
1264 H  H    . LEU A 85  ? 0.83280 0.83280 0.83280 0.00000  -0.00000 -0.00000 404 LEU A H    
1265 H  HA   . LEU A 85  ? 0.89243 0.89243 0.89243 -0.00000 -0.00000 -0.00000 404 LEU A HA   
1266 H  HB2  . LEU A 85  ? 0.90250 0.90250 0.90250 -0.00000 -0.00000 -0.00000 404 LEU A HB2  
1267 H  HB3  . LEU A 85  ? 0.90250 0.90250 0.90250 -0.00000 -0.00000 -0.00000 404 LEU A HB3  
1268 H  HG   . LEU A 85  ? 0.95624 0.95624 0.95624 -0.00000 0.00000  0.00000  404 LEU A HG   
1269 H  HD11 . LEU A 85  ? 1.08069 1.08069 1.08069 0.00000  -0.00000 0.00000  404 LEU A HD11 
1270 H  HD12 . LEU A 85  ? 1.08069 1.08069 1.08069 0.00000  -0.00000 0.00000  404 LEU A HD12 
1271 H  HD13 . LEU A 85  ? 1.08069 1.08069 1.08069 0.00000  -0.00000 0.00000  404 LEU A HD13 
1272 H  HD21 . LEU A 85  ? 0.97710 0.97710 0.97710 -0.00000 -0.00000 -0.00000 404 LEU A HD21 
1273 H  HD22 . LEU A 85  ? 0.97710 0.97710 0.97710 -0.00000 -0.00000 -0.00000 404 LEU A HD22 
1274 H  HD23 . LEU A 85  ? 0.97710 0.97710 0.97710 -0.00000 -0.00000 -0.00000 404 LEU A HD23 
1275 N  N    . TYR A 86  ? 1.09426 1.25110 0.75539 -0.26340 0.00491  0.08883  405 TYR A N    
1276 C  CA   . TYR A 86  ? 1.10773 1.29584 0.75179 -0.25497 -0.00767 0.08820  405 TYR A CA   
1277 C  C    . TYR A 86  ? 1.04096 1.25520 0.63787 -0.27165 -0.00879 0.11793  405 TYR A C    
1278 O  O    . TYR A 86  ? 1.08545 1.29069 0.66354 -0.28947 0.00167  0.14125  405 TYR A O    
1279 C  CB   . TYR A 86  ? 1.26712 1.42502 0.92871 -0.22815 -0.02669 0.09873  405 TYR A CB   
1280 C  CG   . TYR A 86  ? 1.31358 1.43228 0.96233 -0.22179 -0.03595 0.14338  405 TYR A CG   
1281 C  CD1  . TYR A 86  ? 1.03756 1.10251 0.70313 -0.21891 -0.03069 0.15481  405 TYR A CD1  
1282 C  CD2  . TYR A 86  ? 1.28580 1.42220 0.90716 -0.21926 -0.04967 0.17456  405 TYR A CD2  
1283 C  CE1  . TYR A 86  ? 1.25541 1.27898 0.91452 -0.21191 -0.03668 0.19491  405 TYR A CE1  
1284 C  CE2  . TYR A 86  ? 1.07909 1.17839 0.69492 -0.21053 -0.05776 0.21913  405 TYR A CE2  
1285 C  CZ   . TYR A 86  ? 1.29361 1.33344 0.93001 -0.20616 -0.05002 0.22864  405 TYR A CZ   
1286 O  OH   . TYR A 86  ? 1.55387 1.55213 1.18969 -0.19680 -0.05533 0.27142  405 TYR A OH   
1287 H  H    . TYR A 86  ? 1.24300 1.24300 1.24300 -0.00000 0.00000  0.00000  405 TYR A H    
1288 H  HA   . TYR A 86  ? 1.26485 1.26485 1.26485 0.00000  0.00000  -0.00000 405 TYR A HA   
1289 H  HB2  . TYR A 86  ? 1.45104 1.45104 1.45104 -0.00000 0.00000  0.00000  405 TYR A HB2  
1290 H  HB3  . TYR A 86  ? 1.45104 1.45104 1.45104 -0.00000 0.00000  0.00000  405 TYR A HB3  
1291 H  HD1  . TYR A 86  ? 1.13998 1.13998 1.13998 0.00000  -0.00000 -0.00000 405 TYR A HD1  
1292 H  HD2  . TYR A 86  ? 1.44877 1.44877 1.44877 0.00000  -0.00000 -0.00000 405 TYR A HD2  
1293 H  HE1  . TYR A 86  ? 1.38226 1.38226 1.38226 0.00000  -0.00000 -0.00000 405 TYR A HE1  
1294 H  HE2  . TYR A 86  ? 1.18366 1.18366 1.18366 0.00000  0.00000  -0.00000 405 TYR A HE2  
1295 H  HH   . TYR A 86  ? 1.72098 1.72098 1.72098 -0.00000 0.00000  -0.00000 405 TYR A HH   
1296 N  N    . LYS A 87  ? 1.24503 1.49540 0.82334 -0.26732 -0.02164 0.11636  406 LYS A N    
1297 C  CA   . LYS A 87  ? 1.33331 1.62242 0.86328 -0.28348 -0.02560 0.14102  406 LYS A CA   
1298 C  C    . LYS A 87  ? 1.20422 1.47429 0.72262 -0.26878 -0.04778 0.18865  406 LYS A C    
1299 O  O    . LYS A 87  ? 1.37229 1.64245 0.90783 -0.24853 -0.06512 0.18527  406 LYS A O    
1300 C  CB   . LYS A 87  ? 1.46812 1.81726 0.98371 -0.29209 -0.02485 0.10454  406 LYS A CB   
1301 C  CG   . LYS A 87  ? 1.53405 1.89732 1.07463 -0.29971 -0.00282 0.05455  406 LYS A CG   
1302 C  CD   . LYS A 87  ? 1.69905 2.12356 1.21309 -0.31868 0.00731  0.02253  406 LYS A CD   
1303 C  CE   . LYS A 87  ? 1.54420 1.98931 1.07170 -0.30758 -0.00539 -0.00729 406 LYS A CE   
1304 N  NZ   . LYS A 87  ? 1.20664 1.70885 0.70827 -0.32917 0.00810  -0.04357 406 LYS A NZ   
1305 H  H    . LYS A 87  ? 1.42821 1.42821 1.42821 -0.00000 -0.00000 -0.00000 406 LYS A H    
1306 H  HA   . LYS A 87  ? 1.53031 1.53031 1.53031 -0.00000 0.00000  0.00000  406 LYS A HA   
1307 H  HB2  . LYS A 87  ? 1.71034 1.71034 1.71034 0.00000  0.00000  0.00000  406 LYS A HB2  
1308 H  HB3  . LYS A 87  ? 1.71034 1.71034 1.71034 0.00000  0.00000  0.00000  406 LYS A HB3  
1309 H  HG2  . LYS A 87  ? 1.80510 1.80510 1.80510 -0.00000 -0.00000 0.00000  406 LYS A HG2  
1310 H  HG3  . LYS A 87  ? 1.80510 1.80510 1.80510 -0.00000 -0.00000 0.00000  406 LYS A HG3  
1311 H  HD2  . LYS A 87  ? 2.01698 2.01698 2.01698 0.00000  -0.00000 -0.00000 406 LYS A HD2  
1312 H  HD3  . LYS A 87  ? 2.01698 2.01698 2.01698 0.00000  -0.00000 -0.00000 406 LYS A HD3  
1313 H  HE2  . LYS A 87  ? 1.84478 1.84478 1.84478 0.00000  0.00000  0.00000  406 LYS A HE2  
1314 H  HE3  . LYS A 87  ? 1.84478 1.84478 1.84478 0.00000  0.00000  0.00000  406 LYS A HE3  
1315 H  HZ1  . LYS A 87  ? 1.45221 1.45221 1.45221 -0.00000 0.00000  0.00000  406 LYS A HZ1  
1316 H  HZ2  . LYS A 87  ? 1.45221 1.45221 1.45221 -0.00000 0.00000  0.00000  406 LYS A HZ2  
1317 H  HZ3  . LYS A 87  ? 1.45221 1.45221 1.45221 -0.00000 0.00000  0.00000  406 LYS A HZ3  
1318 N  N    . ASP A 88  ? 1.02013 1.27483 0.51331 -0.27867 -0.04631 0.23401  407 ASP A N    
1319 C  CA   . ASP A 88  ? 2.11755 2.35197 1.60501 -0.26298 -0.06596 0.28430  407 ASP A CA   
1320 C  C    . ASP A 88  ? 2.13409 2.42782 1.59420 -0.26186 -0.08609 0.29175  407 ASP A C    
1321 O  O    . ASP A 88  ? 1.91276 2.26181 1.35158 -0.27763 -0.08261 0.25838  407 ASP A O    
1322 C  CB   . ASP A 88  ? 1.94793 2.15608 1.41386 -0.27660 -0.05804 0.33324  407 ASP A CB   
1323 C  CG   . ASP A 88  ? 2.08910 2.25704 1.56514 -0.25528 -0.07453 0.38635  407 ASP A CG   
1324 O  OD1  . ASP A 88  ? 2.35208 2.46422 1.86906 -0.23352 -0.07581 0.38295  407 ASP A OD1  
1325 O  OD2  . ASP A 88  ? 1.98549 2.17932 1.42931 -0.26003 -0.08561 0.43195  407 ASP A OD2  
1326 H  H    . ASP A 88  ? 1.12601 1.12601 1.12601 0.00000  -0.00000 -0.00000 407 ASP A H    
1327 H  HA   . ASP A 88  ? 2.43251 2.43251 2.43251 -0.00000 0.00000  0.00000  407 ASP A HA   
1328 H  HB2  . ASP A 88  ? 2.20985 2.20985 2.20985 0.00000  0.00000  -0.00000 407 ASP A HB2  
1329 H  HB3  . ASP A 88  ? 2.20985 2.20985 2.20985 0.00000  0.00000  -0.00000 407 ASP A HB3  
1330 N  N    . ASP A 89  ? 2.07154 2.35364 1.53606 -0.24251 -0.10720 0.33446  408 ASP A N    
1331 C  CA   . ASP A 89  ? 1.51010 1.85159 0.94735 -0.24263 -0.12970 0.35264  408 ASP A CA   
1332 C  C    . ASP A 89  ? 1.72584 2.11723 1.12303 -0.26879 -0.12037 0.34904  408 ASP A C    
1333 O  O    . ASP A 89  ? 1.72490 2.17104 1.11077 -0.27825 -0.12289 0.31427  408 ASP A O    
1334 C  CB   . ASP A 89  ? 1.65416 1.97339 1.10483 -0.21885 -0.14988 0.41086  408 ASP A CB   
1335 C  CG   . ASP A 89  ? 2.06269 2.34103 1.56426 -0.18654 -0.16022 0.40819  408 ASP A CG   
1336 O  OD1  . ASP A 89  ? 1.76702 2.06910 1.28748 -0.17917 -0.16677 0.36808  408 ASP A OD1  
1337 O  OD2  . ASP A 89  ? 1.98333 2.20439 1.50959 -0.16820 -0.15971 0.44412  408 ASP A OD2  
1338 H  H    . ASP A 89  ? 2.38720 2.38720 2.38720 0.00000  0.00000  -0.00000 408 ASP A H    
1339 H  HA   . ASP A 89  ? 1.72632 1.72632 1.72632 0.00000  0.00000  -0.00000 408 ASP A HA   
1340 H  HB2  . ASP A 89  ? 1.89566 1.89566 1.89566 -0.00000 -0.00000 -0.00000 408 ASP A HB2  
1341 H  HB3  . ASP A 89  ? 1.89566 1.89566 1.89566 -0.00000 -0.00000 -0.00000 408 ASP A HB3  
1342 N  N    . MET A 90  ? 1.85491 2.22444 1.23636 -0.28053 -0.10708 0.38083  409 MET A N    
1343 C  CA   . MET A 90  ? 1.61298 2.02671 0.96051 -0.30459 -0.09559 0.37729  409 MET A CA   
1344 C  C    . MET A 90  ? 1.34538 1.78466 0.68409 -0.32731 -0.07221 0.32145  409 MET A C    
1345 O  O    . MET A 90  ? 1.92990 2.41139 1.24291 -0.34754 -0.06100 0.31002  409 MET A O    
1346 C  CB   . MET A 90  ? 2.24849 2.62821 1.58617 -0.31012 -0.08683 0.42812  409 MET A CB   
1347 C  CG   . MET A 90  ? 2.37316 2.72098 1.72604 -0.28551 -0.10636 0.48523  409 MET A CG   
1348 S  SD   . MET A 90  ? 2.82936 3.12807 2.17683 -0.29180 -0.09258 0.54245  409 MET A SD   
1349 C  CE   . MET A 90  ? 2.28810 2.55036 1.66531 -0.25573 -0.11656 0.59874  409 MET A CE   
1350 H  H    . MET A 90  ? 2.12898 2.12898 2.12898 0.00000  -0.00000 -0.00000 409 MET A H    
1351 H  HA   . MET A 90  ? 1.84278 1.84278 1.84278 0.00000  -0.00000 -0.00000 409 MET A HA   
1352 H  HB2  . MET A 90  ? 2.58785 2.58785 2.58785 -0.00000 0.00000  -0.00000 409 MET A HB2  
1353 H  HB3  . MET A 90  ? 2.58785 2.58785 2.58785 -0.00000 0.00000  -0.00000 409 MET A HB3  
1354 H  HG2  . MET A 90  ? 2.73078 2.73078 2.73078 -0.00000 -0.00000 0.00000  409 MET A HG2  
1355 H  HG3  . MET A 90  ? 2.73078 2.73078 2.73078 -0.00000 -0.00000 0.00000  409 MET A HG3  
1356 H  HE1  . MET A 90  ? 2.60421 2.60421 2.60421 -0.00000 0.00000  -0.00000 409 MET A HE1  
1357 H  HE2  . MET A 90  ? 2.60421 2.60421 2.60421 -0.00000 0.00000  -0.00000 409 MET A HE2  
1358 H  HE3  . MET A 90  ? 2.60421 2.60421 2.60421 -0.00000 0.00000  -0.00000 409 MET A HE3  
1359 N  N    . GLY A 91  ? 2.09780 2.51382 1.45906 -0.32379 -0.06399 0.28675  410 GLY A N    
1360 C  CA   . GLY A 91  ? 1.97357 2.41069 1.33546 -0.34166 -0.04038 0.23375  410 GLY A CA   
1361 C  C    . GLY A 91  ? 1.79766 2.20297 1.16294 -0.35651 -0.01579 0.23728  410 GLY A C    
1362 O  O    . GLY A 91  ? 1.39807 1.82609 0.76670 -0.37188 0.00622  0.19611  410 GLY A O    
1363 H  H    . GLY A 91  ? 2.43097 2.43097 2.43097 -0.00000 -0.00000 -0.00000 410 GLY A H    
1364 H  HA2  . GLY A 91  ? 2.29059 2.29059 2.29059 -0.00000 0.00000  0.00000  410 GLY A HA2  
1365 H  HA3  . GLY A 91  ? 2.29059 2.29059 2.29059 -0.00000 0.00000  0.00000  410 GLY A HA3  
1366 N  N    . VAL A 92  ? 1.53309 1.88481 0.90592 -0.35117 -0.01778 0.28262  411 VAL A N    
1367 C  CA   . VAL A 92  ? 1.81151 2.12876 1.19740 -0.36529 0.00507  0.28576  411 VAL A CA   
1368 C  C    . VAL A 92  ? 1.53566 1.80954 0.97710 -0.34925 0.01040  0.24813  411 VAL A C    
1369 O  O    . VAL A 92  ? 1.31753 1.55936 0.78794 -0.32306 -0.00603 0.24612  411 VAL A O    
1370 C  CB   . VAL A 92  ? 1.58299 1.85881 0.95665 -0.36851 0.00236  0.34944  411 VAL A CB   
1371 C  CG1  . VAL A 92  ? 1.30089 1.53639 0.69455 -0.38425 0.02558  0.34939  411 VAL A CG1  
1372 C  CG2  . VAL A 92  ? 1.72623 2.04125 1.06947 -0.37350 -0.00332 0.37664  411 VAL A CG2  
1373 H  H    . VAL A 92  ? 1.73223 1.73223 1.73223 0.00000  -0.00000 -0.00000 411 VAL A H    
1374 H  HA   . VAL A 92  ? 2.05777 2.05777 2.05777 -0.00000 -0.00000 -0.00000 411 VAL A HA   
1375 H  HB   . VAL A 92  ? 1.76208 1.76208 1.76208 -0.00000 0.00000  0.00000  411 VAL A HB   
1376 H  HG11 . VAL A 92  ? 1.41543 1.41543 1.41543 0.00000  0.00000  0.00000  411 VAL A HG11 
1377 H  HG12 . VAL A 92  ? 1.41543 1.41543 1.41543 0.00000  0.00000  0.00000  411 VAL A HG12 
1378 H  HG13 . VAL A 92  ? 1.41543 1.41543 1.41543 0.00000  0.00000  0.00000  411 VAL A HG13 
1379 H  HG21 . VAL A 92  ? 1.93748 1.93748 1.93748 -0.00000 0.00000  -0.00000 411 VAL A HG21 
1380 H  HG22 . VAL A 92  ? 1.93748 1.93748 1.93748 -0.00000 0.00000  -0.00000 411 VAL A HG22 
1381 H  HG23 . VAL A 92  ? 1.93748 1.93748 1.93748 -0.00000 0.00000  -0.00000 411 VAL A HG23 
1382 N  N    . PRO A 93  ? 1.08222 1.35961 0.54007 -0.36439 0.03292  0.21785  412 PRO A N    
1383 C  CA   . PRO A 93  ? 1.26014 1.49960 0.76938 -0.35139 0.03713  0.18754  412 PRO A CA   
1384 C  C    . PRO A 93  ? 1.03934 1.20991 0.56787 -0.34065 0.02999  0.21991  412 PRO A C    
1385 O  O    . PRO A 93  ? 1.21937 1.36747 0.73516 -0.35713 0.03888  0.25314  412 PRO A O    
1386 C  CB   . PRO A 93  ? 1.15491 1.41862 0.67249 -0.37476 0.06311  0.16153  412 PRO A CB   
1387 C  CG   . PRO A 93  ? 1.55753 1.88317 1.02941 -0.39621 0.07347  0.16170  412 PRO A CG   
1388 C  CD   . PRO A 93  ? 1.11502 1.43824 0.54497 -0.39439 0.05550  0.21026  412 PRO A CD   
1389 H  HA   . PRO A 93  ? 1.41435 1.41435 1.41435 -0.00000 0.00000  -0.00000 412 PRO A HA   
1390 H  HB2  . PRO A 93  ? 1.30111 1.30111 1.30111 0.00000  0.00000  0.00000  412 PRO A HB2  
1391 H  HB3  . PRO A 93  ? 1.30111 1.30111 1.30111 0.00000  0.00000  0.00000  412 PRO A HB3  
1392 H  HG2  . PRO A 93  ? 1.79074 1.79074 1.79074 0.00000  0.00000  0.00000  412 PRO A HG2  
1393 H  HG3  . PRO A 93  ? 1.79074 1.79074 1.79074 0.00000  0.00000  0.00000  412 PRO A HG3  
1394 H  HD2  . PRO A 93  ? 1.24199 1.24199 1.24199 0.00000  0.00000  -0.00000 412 PRO A HD2  
1395 H  HD3  . PRO A 93  ? 1.24199 1.24199 1.24199 0.00000  0.00000  -0.00000 412 PRO A HD3  
1396 N  N    . THR A 94  ? 1.04125 1.17987 0.59879 -0.31352 0.01462  0.21119  413 THR A N    
1397 C  CA   . THR A 94  ? 1.04984 1.12217 0.62802 -0.30074 0.00887  0.23567  413 THR A CA   
1398 C  C    . THR A 94  ? 0.95962 1.00802 0.58008 -0.28954 0.01133  0.19738  413 THR A C    
1399 O  O    . THR A 94  ? 0.91103 0.98341 0.54712 -0.27547 0.00523  0.16544  413 THR A O    
1400 C  CB   . THR A 94  ? 1.04848 1.10751 0.61676 -0.27919 -0.01163 0.27071  413 THR A CB   
1401 O  OG1  . THR A 94  ? 1.43416 1.52205 0.96079 -0.29373 -0.01326 0.30910  413 THR A OG1  
1402 C  CG2  . THR A 94  ? 1.50225 1.49014 1.09557 -0.26311 -0.01544 0.29475  413 THR A CG2  
1403 H  H    . THR A 94  ? 1.13066 1.13066 1.13066 -0.00000 0.00000  0.00000  413 THR A H    
1404 H  HA   . THR A 94  ? 1.12272 1.12272 1.12272 0.00000  0.00000  -0.00000 413 THR A HA   
1405 H  HB   . THR A 94  ? 1.11180 1.11180 1.11180 -0.00000 0.00000  0.00000  413 THR A HB   
1406 H  HG1  . THR A 94  ? 1.56950 1.56950 1.56950 -0.00000 -0.00000 -0.00000 413 THR A HG1  
1407 H  HG21 . THR A 94  ? 1.63789 1.63789 1.63789 -0.00000 0.00000  0.00000  413 THR A HG21 
1408 H  HG22 . THR A 94  ? 1.63789 1.63789 1.63789 -0.00000 0.00000  0.00000  413 THR A HG22 
1409 H  HG23 . THR A 94  ? 1.63789 1.63789 1.63789 -0.00000 0.00000  0.00000  413 THR A HG23 
1410 N  N    . LEU A 95  ? 0.97172 0.97476 0.61008 -0.29802 0.02069  0.20126  414 LEU A N    
1411 C  CA   . LEU A 95  ? 0.92856 0.90851 0.60347 -0.28952 0.02166  0.16924  414 LEU A CA   
1412 C  C    . LEU A 95  ? 0.92240 0.85818 0.61199 -0.26172 0.00739  0.17713  414 LEU A C    
1413 O  O    . LEU A 95  ? 0.98874 0.88403 0.67136 -0.25645 0.00403  0.21116  414 LEU A O    
1414 C  CB   . LEU A 95  ? 0.94848 0.90050 0.63616 -0.31238 0.03649  0.16767  414 LEU A CB   
1415 C  CG   . LEU A 95  ? 0.90947 0.84337 0.63263 -0.30668 0.03616  0.13406  414 LEU A CG   
1416 C  CD1  . LEU A 95  ? 0.85480 0.84445 0.59483 -0.30833 0.03951  0.09729  414 LEU A CD1  
1417 C  CD2  . LEU A 95  ? 0.95207 0.84399 0.68602 -0.32816 0.04693  0.13895  414 LEU A CD2  
1418 H  H    . LEU A 95  ? 1.00912 1.00912 1.00912 -0.00000 0.00000  0.00000  414 LEU A H    
1419 H  HA   . LEU A 95  ? 0.97638 0.97638 0.97638 -0.00000 -0.00000 -0.00000 414 LEU A HA   
1420 H  HB2  . LEU A 95  ? 0.98055 0.98055 0.98055 -0.00000 -0.00000 -0.00000 414 LEU A HB2  
1421 H  HB3  . LEU A 95  ? 0.98055 0.98055 0.98055 -0.00000 -0.00000 -0.00000 414 LEU A HB3  
1422 H  HG   . LEU A 95  ? 0.95689 0.95689 0.95689 -0.00000 -0.00000 0.00000  414 LEU A HG   
1423 H  HD11 . LEU A 95  ? 0.90412 0.90412 0.90412 -0.00000 -0.00000 0.00000  414 LEU A HD11 
1424 H  HD12 . LEU A 95  ? 0.90412 0.90412 0.90412 -0.00000 -0.00000 0.00000  414 LEU A HD12 
1425 H  HD13 . LEU A 95  ? 0.90412 0.90412 0.90412 -0.00000 -0.00000 0.00000  414 LEU A HD13 
1426 H  HD21 . LEU A 95  ? 0.99554 0.99554 0.99554 -0.00000 -0.00000 -0.00000 414 LEU A HD21 
1427 H  HD22 . LEU A 95  ? 0.99554 0.99554 0.99554 -0.00000 -0.00000 -0.00000 414 LEU A HD22 
1428 H  HD23 . LEU A 95  ? 0.99554 0.99554 0.99554 -0.00000 -0.00000 -0.00000 414 LEU A HD23 
1429 N  N    . LYS A 96  ? 0.87001 0.81502 0.58213 -0.24337 0.00022  0.14674  415 LYS A N    
1430 C  CA   . LYS A 96  ? 0.87572 0.77815 0.60704 -0.21990 -0.00864 0.14702  415 LYS A CA   
1431 C  C    . LYS A 96  ? 0.84199 0.72296 0.59719 -0.22666 -0.00090 0.11954  415 LYS A C    
1432 O  O    . LYS A 96  ? 0.79632 0.70790 0.56727 -0.22566 -0.00074 0.08928  415 LYS A O    
1433 C  CB   . LYS A 96  ? 0.82443 0.75584 0.56062 -0.19616 -0.02260 0.13797  415 LYS A CB   
1434 C  CG   . LYS A 96  ? 1.01097 0.90989 0.77012 -0.17127 -0.03007 0.13215  415 LYS A CG   
1435 C  CD   . LYS A 96  ? 0.86811 0.71802 0.62642 -0.16053 -0.03240 0.16366  415 LYS A CD   
1436 C  CE   . LYS A 96  ? 0.90615 0.72662 0.68908 -0.13682 -0.03607 0.15193  415 LYS A CE   
1437 N  NZ   . LYS A 96  ? 1.12224 0.88699 0.91109 -0.12610 -0.03397 0.17871  415 LYS A NZ   
1438 H  H    . LYS A 96  ? 0.89335 0.89335 0.89335 -0.00000 -0.00000 0.00000  415 LYS A H    
1439 H  HA   . LYS A 96  ? 0.90706 0.90706 0.90706 -0.00000 0.00000  -0.00000 415 LYS A HA   
1440 H  HB2  . LYS A 96  ? 0.84285 0.84285 0.84285 0.00000  0.00000  0.00000  415 LYS A HB2  
1441 H  HB3  . LYS A 96  ? 0.84285 0.84285 0.84285 0.00000  0.00000  0.00000  415 LYS A HB3  
1442 H  HG2  . LYS A 96  ? 1.07909 1.07909 1.07909 -0.00000 -0.00000 -0.00000 415 LYS A HG2  
1443 H  HG3  . LYS A 96  ? 1.07909 1.07909 1.07909 -0.00000 -0.00000 -0.00000 415 LYS A HG3  
1444 H  HD2  . LYS A 96  ? 0.88772 0.88772 0.88772 0.00000  -0.00000 -0.00000 415 LYS A HD2  
1445 H  HD3  . LYS A 96  ? 0.88772 0.88772 0.88772 0.00000  -0.00000 -0.00000 415 LYS A HD3  
1446 H  HE2  . LYS A 96  ? 0.93144 0.93144 0.93144 -0.00000 -0.00000 0.00000  415 LYS A HE2  
1447 H  HE3  . LYS A 96  ? 0.93144 0.93144 0.93144 -0.00000 -0.00000 0.00000  415 LYS A HE3  
1448 H  HZ1  . LYS A 96  ? 1.17083 1.17083 1.17083 0.00000  0.00000  -0.00000 415 LYS A HZ1  
1449 H  HZ2  . LYS A 96  ? 1.17083 1.17083 1.17083 0.00000  0.00000  -0.00000 415 LYS A HZ2  
1450 H  HZ3  . LYS A 96  ? 1.17083 1.17083 1.17083 0.00000  0.00000  -0.00000 415 LYS A HZ3  
1451 N  N    . TYR A 97  ? 0.88149 0.71101 0.64006 -0.23537 0.00587  0.13087  416 TYR A N    
1452 C  CA   . TYR A 97  ? 0.87511 0.69079 0.65058 -0.25113 0.01424  0.10621  416 TYR A CA   
1453 C  C    . TYR A 97  ? 0.87486 0.68936 0.67031 -0.23191 0.00694  0.07835  416 TYR A C    
1454 O  O    . TYR A 97  ? 0.82021 0.67033 0.62865 -0.23658 0.00681  0.05221  416 TYR A O    
1455 C  CB   . TYR A 97  ? 0.93416 0.69080 0.70919 -0.26651 0.02389  0.12293  416 TYR A CB   
1456 C  CG   . TYR A 97  ? 0.93410 0.68263 0.72448 -0.28945 0.03249  0.09666  416 TYR A CG   
1457 C  CD1  . TYR A 97  ? 0.91297 0.70947 0.70722 -0.31180 0.03816  0.08174  416 TYR A CD1  
1458 C  CD2  . TYR A 97  ? 0.95696 0.65366 0.75955 -0.28915 0.03514  0.08502  416 TYR A CD2  
1459 C  CE1  . TYR A 97  ? 0.91585 0.71219 0.72686 -0.33366 0.04392  0.05880  416 TYR A CE1  
1460 C  CE2  . TYR A 97  ? 1.04681 0.74160 0.86198 -0.31280 0.04119  0.05893  416 TYR A CE2  
1461 C  CZ   . TYR A 97  ? 0.93688 0.68342 0.75676 -0.33532 0.04441  0.04738  416 TYR A CZ   
1462 O  OH   . TYR A 97  ? 0.94031 0.69209 0.77497 -0.35983 0.04859  0.02353  416 TYR A OH   
1463 H  H    . TYR A 97  ? 0.87952 0.87952 0.87952 -0.00000 -0.00000 -0.00000 416 TYR A H    
1464 H  HA   . TYR A 97  ? 0.87309 0.87309 0.87309 -0.00000 0.00000  0.00000  416 TYR A HA   
1465 H  HB2  . TYR A 97  ? 0.92015 0.92015 0.92015 -0.00000 -0.00000 -0.00000 416 TYR A HB2  
1466 H  HB3  . TYR A 97  ? 0.92015 0.92015 0.92015 -0.00000 -0.00000 -0.00000 416 TYR A HB3  
1467 H  HD1  . TYR A 97  ? 0.92367 0.92367 0.92367 -0.00000 0.00000  0.00000  416 TYR A HD1  
1468 H  HD2  . TYR A 97  ? 0.93456 0.93456 0.93456 -0.00000 0.00000  0.00000  416 TYR A HD2  
1469 H  HE1  . TYR A 97  ? 0.94466 0.94466 0.94466 -0.00000 -0.00000 0.00000  416 TYR A HE1  
1470 H  HE2  . TYR A 97  ? 1.06286 1.06286 1.06286 0.00000  -0.00000 0.00000  416 TYR A HE2  
1471 H  HH   . TYR A 97  ? 0.94944 0.94944 0.94944 -0.00000 -0.00000 -0.00000 416 TYR A HH   
1472 N  N    . HIS A 98  ? 0.84240 0.62124 0.64124 -0.20875 0.00093  0.08664  417 HIS A N    
1473 C  CA   . HIS A 98  ? 0.83010 0.61035 0.64490 -0.18891 -0.00529 0.06367  417 HIS A CA   
1474 C  C    . HIS A 98  ? 0.77476 0.58116 0.59099 -0.16285 -0.01665 0.06957  417 HIS A C    
1475 O  O    . HIS A 98  ? 0.79066 0.57098 0.60917 -0.14276 -0.02103 0.08495  417 HIS A O    
1476 C  CB   . HIS A 98  ? 0.83939 0.55994 0.66211 -0.18316 -0.00040 0.05958  417 HIS A CB   
1477 C  CG   . HIS A 98  ? 0.99152 0.68486 0.81597 -0.21024 0.01034  0.04646  417 HIS A CG   
1478 N  ND1  . HIS A 98  ? 0.84348 0.57247 0.67356 -0.22980 0.01118  0.02116  417 HIS A ND1  
1479 C  CD2  . HIS A 98  ? 0.92889 0.56411 0.75327 -0.22102 0.02044  0.05565  417 HIS A CD2  
1480 C  CE1  . HIS A 98  ? 0.88508 0.57946 0.71641 -0.25328 0.02059  0.01469  417 HIS A CE1  
1481 N  NE2  . HIS A 98  ? 0.94234 0.57734 0.77010 -0.24974 0.02739  0.03437  417 HIS A NE2  
1482 H  H    . HIS A 98  ? 0.82844 0.82844 0.82844 0.00000  -0.00000 -0.00000 417 HIS A H    
1483 H  HA   . HIS A 98  ? 0.83684 0.83684 0.83684 -0.00000 -0.00000 0.00000  417 HIS A HA   
1484 H  HB2  . HIS A 98  ? 0.81107 0.81107 0.81107 0.00000  -0.00000 -0.00000 417 HIS A HB2  
1485 H  HB3  . HIS A 98  ? 0.81107 0.81107 0.81107 0.00000  -0.00000 -0.00000 417 HIS A HB3  
1486 H  HD1  . HIS A 98  ? 0.82230 0.82230 0.82230 -0.00000 -0.00000 -0.00000 417 HIS A HD1  
1487 H  HD2  . HIS A 98  ? 0.88500 0.88500 0.88500 -0.00000 0.00000  0.00000  417 HIS A HD2  
1488 H  HE1  . HIS A 98  ? 0.85887 0.85887 0.85887 -0.00000 -0.00000 0.00000  417 HIS A HE1  
1489 N  N    . TYR A 99  ? 0.73039 0.58871 0.55034 -0.16305 -0.02063 0.05467  418 TYR A N    
1490 C  CA   . TYR A 99  ? 0.69858 0.58522 0.52368 -0.14203 -0.03073 0.05428  418 TYR A CA   
1491 C  C    . TYR A 99  ? 0.74830 0.63506 0.59410 -0.12562 -0.03395 0.03363  418 TYR A C    
1492 O  O    . TYR A 99  ? 0.67606 0.59134 0.53419 -0.13017 -0.03290 0.01281  418 TYR A O    
1493 C  CB   . TYR A 99  ? 0.67580 0.61481 0.49609 -0.15171 -0.03089 0.04699  418 TYR A CB   
1494 C  CG   . TYR A 99  ? 0.67878 0.64546 0.49856 -0.13610 -0.04091 0.05072  418 TYR A CG   
1495 C  CD1  . TYR A 99  ? 0.92121 0.87605 0.72849 -0.12576 -0.04907 0.07718  418 TYR A CD1  
1496 C  CD2  . TYR A 99  ? 0.78336 0.78971 0.61776 -0.13270 -0.04224 0.02851  418 TYR A CD2  
1497 C  CE1  . TYR A 99  ? 0.84469 0.83102 0.65224 -0.11414 -0.05988 0.07970  418 TYR A CE1  
1498 C  CE2  . TYR A 99  ? 0.70043 0.73200 0.53605 -0.12154 -0.05103 0.02880  418 TYR A CE2  
1499 C  CZ   . TYR A 99  ? 0.99458 1.01849 0.81566 -0.11329 -0.06059 0.05361  418 TYR A CZ   
1500 O  OH   . TYR A 99  ? 0.87545 0.93014 0.69843 -0.10493 -0.07075 0.05288  418 TYR A OH   
1501 H  H    . TYR A 99  ? 0.73427 0.73427 0.73427 -0.00000 -0.00000 -0.00000 418 TYR A H    
1502 H  HA   . TYR A 99  ? 0.70949 0.70949 0.70949 0.00000  -0.00000 -0.00000 418 TYR A HA   
1503 H  HB2  . TYR A 99  ? 0.70117 0.70117 0.70117 -0.00000 0.00000  -0.00000 418 TYR A HB2  
1504 H  HB3  . TYR A 99  ? 0.70117 0.70117 0.70117 -0.00000 0.00000  -0.00000 418 TYR A HB3  
1505 H  HD1  . TYR A 99  ? 1.01300 1.01300 1.01300 -0.00000 -0.00000 -0.00000 418 TYR A HD1  
1506 H  HD2  . TYR A 99  ? 0.87903 0.87903 0.87903 -0.00000 0.00000  0.00000  418 TYR A HD2  
1507 H  HE1  . TYR A 99  ? 0.93388 0.93388 0.93388 -0.00000 -0.00000 -0.00000 418 TYR A HE1  
1508 H  HE2  . TYR A 99  ? 0.79009 0.79009 0.79009 -0.00000 0.00000  0.00000  418 TYR A HE2  
1509 H  HH   . TYR A 99  ? 1.00431 1.00431 1.00431 -0.00000 0.00000  0.00000  418 TYR A HH   
1510 N  N    . GLU A 100 ? 0.67452 0.53143 0.52548 -0.10583 -0.03724 0.04176  419 GLU A N    
1511 C  CA   . GLU A 100 ? 0.65796 0.50306 0.52346 -0.09372 -0.03633 0.02442  419 GLU A CA   
1512 C  C    . GLU A 100 ? 0.73440 0.61931 0.61556 -0.08054 -0.04273 0.01180  419 GLU A C    
1513 O  O    . GLU A 100 ? 0.69615 0.60978 0.57947 -0.07498 -0.04898 0.01804  419 GLU A O    
1514 C  CB   . GLU A 100 ? 0.69096 0.49115 0.55909 -0.07692 -0.03438 0.03642  419 GLU A CB   
1515 C  CG   . GLU A 100 ? 0.77124 0.52190 0.62979 -0.08982 -0.02523 0.04647  419 GLU A CG   
1516 C  CD   . GLU A 100 ? 1.09861 0.82845 0.95534 -0.10925 -0.01584 0.02324  419 GLU A CD   
1517 O  OE1  . GLU A 100 ? 1.04667 0.79544 0.90943 -0.10862 -0.01656 -0.00076 419 GLU A OE1  
1518 O  OE2  . GLU A 100 ? 1.10656 0.80141 0.95608 -0.12625 -0.00795 0.03045  419 GLU A OE2  
1519 H  H    . GLU A 100 ? 0.67907 0.67907 0.67907 0.00000  -0.00000 0.00000  419 GLU A H    
1520 H  HA   . GLU A 100 ? 0.67501 0.67501 0.67501 0.00000  0.00000  -0.00000 419 GLU A HA   
1521 H  HB2  . GLU A 100 ? 0.68297 0.68297 0.68297 -0.00000 0.00000  -0.00000 419 GLU A HB2  
1522 H  HB3  . GLU A 100 ? 0.68297 0.68297 0.68297 -0.00000 0.00000  -0.00000 419 GLU A HB3  
1523 H  HG2  . GLU A 100 ? 0.77188 0.77188 0.77188 -0.00000 0.00000  -0.00000 419 GLU A HG2  
1524 H  HG3  . GLU A 100 ? 0.77188 0.77188 0.77188 -0.00000 0.00000  -0.00000 419 GLU A HG3  
1525 N  N    . GLY A 101 ? 0.65609 0.54282 0.54764 -0.07785 -0.04063 -0.00624 420 GLY A N    
1526 C  CA   . GLY A 101 ? 0.58700 0.50019 0.49588 -0.06235 -0.04495 -0.01468 420 GLY A CA   
1527 C  C    . GLY A 101 ? 0.51790 0.47474 0.43841 -0.06910 -0.04741 -0.02304 420 GLY A C    
1528 O  O    . GLY A 101 ? 0.57186 0.55213 0.50900 -0.05694 -0.05123 -0.02558 420 GLY A O    
1529 H  H    . GLY A 101 ? 0.70132 0.70132 0.70132 0.00000  -0.00000 -0.00000 420 GLY A H    
1530 H  HA2  . GLY A 101 ? 0.63593 0.63593 0.63593 0.00000  0.00000  0.00000  420 GLY A HA2  
1531 H  HA3  . GLY A 101 ? 0.63593 0.63593 0.63593 0.00000  0.00000  0.00000  420 GLY A HA3  
1532 N  N    . MET A 102 ? 0.52263 0.48962 0.43787 -0.08858 -0.04373 -0.02771 421 MET A N    
1533 C  CA   . MET A 102 ? 0.49581 0.50271 0.42452 -0.09465 -0.04326 -0.03545 421 MET A CA   
1534 C  C    . MET A 102 ? 0.46938 0.50150 0.41974 -0.09668 -0.04232 -0.04866 421 MET A C    
1535 O  O    . MET A 102 ? 0.50091 0.56409 0.47313 -0.09264 -0.04205 -0.05480 421 MET A O    
1536 C  CB   . MET A 102 ? 0.62931 0.63994 0.54270 -0.11347 -0.03832 -0.03113 421 MET A CB   
1537 C  CG   . MET A 102 ? 0.62740 0.63256 0.52346 -0.11002 -0.04146 -0.01596 421 MET A CG   
1538 S  SD   . MET A 102 ? 0.59212 0.63503 0.50091 -0.10010 -0.04610 -0.02277 421 MET A SD   
1539 C  CE   . MET A 102 ? 0.54298 0.62147 0.45545 -0.11848 -0.03660 -0.03752 421 MET A CE   
1540 H  H    . MET A 102 ? 0.56654 0.56654 0.56654 0.00000  -0.00000 -0.00000 421 MET A H    
1541 H  HA   . MET A 102 ? 0.55571 0.55571 0.55571 0.00000  0.00000  -0.00000 421 MET A HA   
1542 H  HB2  . MET A 102 ? 0.72748 0.72748 0.72748 0.00000  -0.00000 -0.00000 421 MET A HB2  
1543 H  HB3  . MET A 102 ? 0.72748 0.72748 0.72748 0.00000  -0.00000 -0.00000 421 MET A HB3  
1544 H  HG2  . MET A 102 ? 0.71607 0.71607 0.71607 -0.00000 -0.00000 -0.00000 421 MET A HG2  
1545 H  HG3  . MET A 102 ? 0.71607 0.71607 0.71607 -0.00000 -0.00000 -0.00000 421 MET A HG3  
1546 H  HE1  . MET A 102 ? 0.65066 0.65066 0.65066 -0.00000 -0.00000 -0.00000 421 MET A HE1  
1547 H  HE2  . MET A 102 ? 0.65066 0.65066 0.65066 -0.00000 -0.00000 -0.00000 421 MET A HE2  
1548 H  HE3  . MET A 102 ? 0.65066 0.65066 0.65066 -0.00000 -0.00000 -0.00000 421 MET A HE3  
1549 N  N    . SER A 103 ? 0.55266 0.57287 0.49877 -0.10318 -0.04183 -0.05293 422 SER A N    
1550 C  CA   . SER A 103 ? 0.48640 0.53646 0.45181 -0.10702 -0.04308 -0.06180 422 SER A CA   
1551 C  C    . SER A 103 ? 0.52243 0.56415 0.48505 -0.09961 -0.04668 -0.06470 422 SER A C    
1552 O  O    . SER A 103 ? 0.53941 0.54696 0.48139 -0.10115 -0.04496 -0.06586 422 SER A O    
1553 C  CB   . SER A 103 ? 0.77194 0.83142 0.73490 -0.12998 -0.03899 -0.06632 422 SER A CB   
1554 O  OG   . SER A 103 ? 0.85314 0.94956 0.83976 -0.13339 -0.04149 -0.07254 422 SER A OG   
1555 H  H    . SER A 103 ? 0.65242 0.65242 0.65242 0.00000  -0.00000 -0.00000 422 SER A H    
1556 H  HA   . SER A 103 ? 0.59257 0.59257 0.59257 -0.00000 -0.00000 -0.00000 422 SER A HA   
1557 H  HB2  . SER A 103 ? 0.93801 0.93801 0.93801 -0.00000 0.00000  0.00000  422 SER A HB2  
1558 H  HB3  . SER A 103 ? 0.93801 0.93801 0.93801 -0.00000 0.00000  0.00000  422 SER A HB3  
1559 H  HG   . SER A 103 ? 1.05969 1.05969 1.05969 0.00000  0.00000  0.00000  422 SER A HG   
1560 N  N    . VAL A 104 ? 0.43669 0.51002 0.42052 -0.09226 -0.05044 -0.06577 423 VAL A N    
1561 C  CA   . VAL A 104 ? 0.44014 0.51228 0.41850 -0.08514 -0.05356 -0.06712 423 VAL A CA   
1562 C  C    . VAL A 104 ? 0.46461 0.53737 0.42765 -0.10379 -0.05495 -0.07681 423 VAL A C    
1563 O  O    . VAL A 104 ? 0.58066 0.68381 0.55666 -0.11663 -0.05794 -0.07871 423 VAL A O    
1564 C  CB   . VAL A 104 ? 0.45400 0.56028 0.45955 -0.07096 -0.05733 -0.06031 423 VAL A CB   
1565 C  CG1  . VAL A 104 ? 0.52378 0.63414 0.51940 -0.06589 -0.05987 -0.05988 423 VAL A CG1  
1566 C  CG2  . VAL A 104 ? 0.50378 0.60791 0.52612 -0.05519 -0.05534 -0.05413 423 VAL A CG2  
1567 H  H    . VAL A 104 ? 0.53338 0.53338 0.53338 -0.00000 -0.00000 0.00000  423 VAL A H    
1568 H  HA   . VAL A 104 ? 0.53486 0.53486 0.53486 -0.00000 -0.00000 -0.00000 423 VAL A HA   
1569 H  HB   . VAL A 104 ? 0.59223 0.59223 0.59223 -0.00000 -0.00000 0.00000  423 VAL A HB   
1570 H  HG11 . VAL A 104 ? 0.67363 0.67363 0.67363 0.00000  -0.00000 -0.00000 423 VAL A HG11 
1571 H  HG12 . VAL A 104 ? 0.67363 0.67363 0.67363 0.00000  -0.00000 -0.00000 423 VAL A HG12 
1572 H  HG13 . VAL A 104 ? 0.67363 0.67363 0.67363 0.00000  -0.00000 -0.00000 423 VAL A HG13 
1573 H  HG21 . VAL A 104 ? 0.65782 0.65782 0.65782 0.00000  0.00000  -0.00000 423 VAL A HG21 
1574 H  HG22 . VAL A 104 ? 0.65782 0.65782 0.65782 0.00000  0.00000  -0.00000 423 VAL A HG22 
1575 H  HG23 . VAL A 104 ? 0.65782 0.65782 0.65782 0.00000  0.00000  -0.00000 423 VAL A HG23 
1576 N  N    . ALA A 105 ? 0.52292 0.56362 0.46143 -0.10559 -0.05201 -0.08412 424 ALA A N    
1577 C  CA   . ALA A 105 ? 0.52319 0.56372 0.44520 -0.12468 -0.05288 -0.09789 424 ALA A CA   
1578 C  C    . ALA A 105 ? 0.71239 0.77926 0.63093 -0.11907 -0.05749 -0.10086 424 ALA A C    
1579 O  O    . ALA A 105 ? 0.52625 0.62468 0.44356 -0.13364 -0.06389 -0.10652 424 ALA A O    
1580 C  CB   . ALA A 105 ? 0.67967 0.66684 0.57751 -0.13290 -0.04443 -0.10779 424 ALA A CB   
1581 H  H    . ALA A 105 ? 0.62189 0.62189 0.62189 -0.00000 -0.00000 -0.00000 424 ALA A H    
1582 H  HA   . ALA A 105 ? 0.61371 0.61371 0.61371 -0.00000 -0.00000 -0.00000 424 ALA A HA   
1583 H  HB1  . ALA A 105 ? 0.77231 0.77231 0.77231 0.00000  0.00000  0.00000  424 ALA A HB1  
1584 H  HB2  . ALA A 105 ? 0.77231 0.77231 0.77231 0.00000  0.00000  0.00000  424 ALA A HB2  
1585 H  HB3  . ALA A 105 ? 0.77231 0.77231 0.77231 0.00000  0.00000  0.00000  424 ALA A HB3  
1586 N  N    . GLU A 106 ? 0.51236 0.57175 0.43023 -0.09858 -0.05468 -0.09525 425 GLU A N    
1587 C  CA   . GLU A 106 ? 0.51266 0.59846 0.42504 -0.09311 -0.05735 -0.09528 425 GLU A CA   
1588 C  C    . GLU A 106 ? 0.49288 0.58657 0.42361 -0.06897 -0.05602 -0.07939 425 GLU A C    
1589 O  O    . GLU A 106 ? 0.50068 0.56719 0.43814 -0.05688 -0.05105 -0.07523 425 GLU A O    
1590 C  CB   . GLU A 106 ? 0.61072 0.66824 0.49180 -0.09820 -0.04953 -0.11373 425 GLU A CB   
1591 C  CG   . GLU A 106 ? 0.93200 0.98816 0.79254 -0.12500 -0.05088 -0.13362 425 GLU A CG   
1592 C  CD   . GLU A 106 ? 1.57121 1.58917 1.40324 -0.12850 -0.03909 -0.15579 425 GLU A CD   
1593 O  OE1  . GLU A 106 ? 1.09780 1.11625 0.92367 -0.11190 -0.03316 -0.15508 425 GLU A OE1  
1594 O  OE2  . GLU A 106 ? 1.02440 1.01127 0.84261 -0.14806 -0.03414 -0.17446 425 GLU A OE2  
1595 H  H    . GLU A 106 ? 0.59223 0.59223 0.59223 0.00000  -0.00000 -0.00000 425 GLU A H    
1596 H  HA   . GLU A 106 ? 0.60096 0.60096 0.60096 -0.00000 0.00000  -0.00000 425 GLU A HA   
1597 H  HB2  . GLU A 106 ? 0.71101 0.71101 0.71101 0.00000  -0.00000 -0.00000 425 GLU A HB2  
1598 H  HB3  . GLU A 106 ? 0.71101 0.71101 0.71101 0.00000  -0.00000 -0.00000 425 GLU A HB3  
1599 H  HG2  . GLU A 106 ? 1.08778 1.08778 1.08778 0.00000  -0.00000 -0.00000 425 GLU A HG2  
1600 H  HG3  . GLU A 106 ? 1.08778 1.08778 1.08778 0.00000  -0.00000 -0.00000 425 GLU A HG3  
1601 N  N    . CYS A 107 ? 0.47148 0.60441 0.41057 -0.06381 -0.06102 -0.06946 426 CYS A N    
1602 C  CA   . CYS A 107 ? 0.49509 0.64075 0.45293 -0.04386 -0.05934 -0.05329 426 CYS A CA   
1603 C  C    . CYS A 107 ? 0.46963 0.62232 0.40597 -0.03967 -0.05467 -0.05540 426 CYS A C    
1604 O  O    . CYS A 107 ? 0.49288 0.66507 0.40710 -0.05278 -0.05787 -0.06303 426 CYS A O    
1605 C  CB   . CYS A 107 ? 0.51680 0.70393 0.50775 -0.04068 -0.06745 -0.03511 426 CYS A CB   
1606 S  SG   . CYS A 107 ? 0.53894 0.72491 0.55964 -0.04404 -0.06951 -0.03432 426 CYS A SG   
1607 H  H    . CYS A 107 ? 0.59285 0.59285 0.59285 -0.00000 0.00000  -0.00000 426 CYS A H    
1608 H  HA   . CYS A 107 ? 0.63821 0.63821 0.63821 -0.00000 0.00000  -0.00000 426 CYS A HA   
1609 H  HB2  . CYS A 107 ? 0.69410 0.69410 0.69410 -0.00000 -0.00000 -0.00000 426 CYS A HB2  
1610 H  HB3  . CYS A 107 ? 0.69410 0.69410 0.69410 -0.00000 -0.00000 -0.00000 426 CYS A HB3  
1611 N  N    . GLY A 108 ? 0.47508 0.61897 0.41967 -0.02233 -0.04734 -0.04782 427 GLY A N    
1612 C  CA   . GLY A 108 ? 0.47671 0.63772 0.40696 -0.01711 -0.04182 -0.04513 427 GLY A CA   
1613 C  C    . GLY A 108 ? 0.62600 0.79045 0.58134 0.00219  -0.03600 -0.02831 427 GLY A C    
1614 O  O    . GLY A 108 ? 0.50134 0.65233 0.48409 0.01098  -0.03673 -0.02173 427 GLY A O    
1615 H  H    . GLY A 108 ? 0.60819 0.60819 0.60819 -0.00000 -0.00000 -0.00000 427 GLY A H    
1616 H  HA2  . GLY A 108 ? 0.59505 0.59505 0.59505 0.00000  0.00000  -0.00000 427 GLY A HA2  
1617 H  HA3  . GLY A 108 ? 0.59505 0.59505 0.59505 0.00000  0.00000  -0.00000 427 GLY A HA3  
1618 N  N    . CYS A 109 ? 0.46819 0.65501 0.41309 0.00629  -0.03032 -0.02174 428 CYS A N    
1619 C  CA   . CYS A 109 ? 0.45250 0.65005 0.42101 0.02180  -0.02372 -0.00376 428 CYS A CA   
1620 C  C    . CYS A 109 ? 0.46620 0.63349 0.42719 0.03190  -0.01009 -0.01776 428 CYS A C    
1621 O  O    . CYS A 109 ? 0.50030 0.65498 0.42925 0.02753  -0.00159 -0.03737 428 CYS A O    
1622 C  CB   . CYS A 109 ? 0.46358 0.70369 0.42437 0.02022  -0.02348 0.01360  428 CYS A CB   
1623 S  SG   . CYS A 109 ? 0.60903 0.88733 0.59650 0.01520  -0.03982 0.03988  428 CYS A SG   
1624 H  H    . CYS A 109 ? 0.60101 0.60101 0.60101 -0.00000 -0.00000 -0.00000 428 CYS A H    
1625 H  HA   . CYS A 109 ? 0.59591 0.59591 0.59591 0.00000  -0.00000 -0.00000 428 CYS A HA   
1626 H  HB2  . CYS A 109 ? 0.62315 0.62315 0.62315 -0.00000 0.00000  -0.00000 428 CYS A HB2  
1627 H  HB3  . CYS A 109 ? 0.62315 0.62315 0.62315 -0.00000 0.00000  -0.00000 428 CYS A HB3  
1628 N  N    . ARG A 110 ? 0.44152 0.59682 0.43478 0.04458  -0.00850 -0.00931 429 ARG A N    
1629 C  CA   . ARG A 110 ? 0.44947 0.57986 0.44647 0.05658  0.00179  -0.01797 429 ARG A CA   
1630 C  C    . ARG A 110 ? 0.42864 0.57485 0.46046 0.06992  0.00681  -0.00115 429 ARG A C    
1631 O  O    . ARG A 110 ? 0.44144 0.58257 0.47500 0.08052  0.01877  -0.00536 429 ARG A O    
1632 C  CB   . ARG A 110 ? 0.44501 0.54268 0.44553 0.05576  -0.00421 -0.02682 429 ARG A CB   
1633 C  CG   . ARG A 110 ? 0.47324 0.54653 0.44120 0.04283  -0.00522 -0.04569 429 ARG A CG   
1634 C  CD   . ARG A 110 ? 0.56271 0.62041 0.50436 0.04387  0.00838  -0.06334 429 ARG A CD   
1635 N  NE   . ARG A 110 ? 0.55000 0.58341 0.46360 0.02845  0.00777  -0.08282 429 ARG A NE   
1636 C  CZ   . ARG A 110 ? 0.56307 0.61222 0.44941 0.01149  0.00600  -0.09420 429 ARG A CZ   
1637 N  NH1  . ARG A 110 ? 0.56031 0.65349 0.44434 0.00701  0.00044  -0.08275 429 ARG A NH1  
1638 N  NH2  . ARG A 110 ? 0.63593 0.65746 0.49899 -0.00273 0.00840  -0.11568 429 ARG A NH2  
1639 O  OXT  . ARG A 110 ? 0.46135 0.62534 0.52225 0.06955  0.00004  0.01570  429 ARG A OXT  
1640 H  H    . ARG A 110 ? 0.57574 0.57574 0.57574 -0.00000 0.00000  0.00000  429 ARG A H    
1641 H  HA   . ARG A 110 ? 0.57681 0.57681 0.57681 0.00000  0.00000  0.00000  429 ARG A HA   
1642 H  HB2  . ARG A 110 ? 0.55978 0.55978 0.55978 0.00000  -0.00000 -0.00000 429 ARG A HB2  
1643 H  HB3  . ARG A 110 ? 0.55978 0.55978 0.55978 0.00000  -0.00000 -0.00000 429 ARG A HB3  
1644 H  HG2  . ARG A 110 ? 0.57088 0.57088 0.57088 -0.00000 0.00000  0.00000  429 ARG A HG2  
1645 H  HG3  . ARG A 110 ? 0.57088 0.57088 0.57088 -0.00000 0.00000  0.00000  429 ARG A HG3  
1646 H  HD2  . ARG A 110 ? 0.67769 0.67769 0.67769 0.00000  0.00000  -0.00000 429 ARG A HD2  
1647 H  HD3  . ARG A 110 ? 0.67769 0.67769 0.67769 0.00000  0.00000  -0.00000 429 ARG A HD3  
1648 H  HE   . ARG A 110 ? 0.64150 0.64150 0.64150 0.00000  -0.00000 -0.00000 429 ARG A HE   
1649 H  HH11 . ARG A 110 ? 0.66596 0.66596 0.66596 0.00000  -0.00000 -0.00000 429 ARG A HH11 
1650 H  HH12 . ARG A 110 ? 0.66596 0.66596 0.66596 0.00000  -0.00000 -0.00000 429 ARG A HH12 
1651 H  HH21 . ARG A 110 ? 0.71965 0.71965 0.71965 0.00000  0.00000  -0.00000 429 ARG A HH21 
1652 H  HH22 . ARG A 110 ? 0.71965 0.71965 0.71965 0.00000  0.00000  -0.00000 429 ARG A HH22 
1653 C  C1   . GOL B .   ? 0.60419 0.61448 0.52970 -0.20163 0.01363  0.04308  501 GOL A C1   
1654 O  O1   . GOL B .   ? 0.62449 0.60850 0.51543 -0.14650 0.01630  0.03479  501 GOL A O1   
1655 C  C2   . GOL B .   ? 0.59853 0.66139 0.52608 -0.27224 0.02225  0.02527  501 GOL A C2   
1656 O  O2   . GOL B .   ? 0.61620 0.64951 0.51914 -0.30750 0.00650  0.02118  501 GOL A O2   
1657 C  C3   . GOL B .   ? 0.54532 0.68938 0.53564 -0.27261 0.04993  0.05214  501 GOL A C3   
1658 O  O3   . GOL B .   ? 0.52965 0.73134 0.54481 -0.25135 0.07081  0.04864  501 GOL A O3   
1659 H  H11  . GOL B .   ? 0.70205 0.70205 0.70205 -0.00000 0.00000  -0.00000 501 GOL A H11  
1660 H  H12  . GOL B .   ? 0.70205 0.70205 0.70205 -0.00000 0.00000  -0.00000 501 GOL A H12  
1661 H  HO1  . GOL B .   ? 0.70207 0.70207 0.70207 -0.00000 -0.00000 -0.00000 501 GOL A HO1  
1662 H  H2   . GOL B .   ? 0.71710 0.71710 0.71710 -0.00000 0.00000  -0.00000 501 GOL A H2   
1663 H  HO2  . GOL B .   ? 0.71664 0.71664 0.71664 -0.00000 0.00000  -0.00000 501 GOL A HO2  
1664 H  H31  . GOL B .   ? 0.71084 0.71084 0.71084 0.00000  0.00000  -0.00000 501 GOL A H31  
1665 H  H32  . GOL B .   ? 0.71084 0.71084 0.71084 0.00000  0.00000  -0.00000 501 GOL A H32  
1666 H  HO3  . GOL B .   ? 0.72502 0.72502 0.72502 -0.00000 -0.00000 -0.00000 501 GOL A HO3  
1667 C  C1   . GOL C .   ? 0.68132 1.03135 0.93348 0.06350  0.22818  -0.30925 502 GOL A C1   
1668 O  O1   . GOL C .   ? 0.72399 0.98787 0.93569 0.05902  0.22911  -0.31831 502 GOL A O1   
1669 C  C2   . GOL C .   ? 0.60878 1.08931 0.93833 0.03642  0.21834  -0.27789 502 GOL A C2   
1670 O  O2   . GOL C .   ? 0.54629 1.13697 0.94766 -0.02758 0.21761  -0.25846 502 GOL A O2   
1671 C  C3   . GOL C .   ? 0.65708 1.09332 0.94924 0.05370  0.24979  -0.29318 502 GOL A C3   
1672 O  O3   . GOL C .   ? 0.67507 1.08746 0.96729 0.04755  0.26305  -0.28912 502 GOL A O3   
1673 H  H11  . GOL C .   ? 1.06116 1.06116 1.06116 -0.00000 -0.00000 0.00000  502 GOL A H11  
1674 H  H12  . GOL C .   ? 1.06116 1.06116 1.06116 -0.00000 -0.00000 0.00000  502 GOL A H12  
1675 H  HO1  . GOL C .   ? 1.06172 1.06172 1.06172 0.00000  -0.00000 -0.00000 502 GOL A HO1  
1676 H  H2   . GOL C .   ? 1.05727 1.05727 1.05727 -0.00000 0.00000  0.00000  502 GOL A H2   
1677 H  HO2  . GOL C .   ? 1.05507 1.05507 1.05507 -0.00000 -0.00000 -0.00000 502 GOL A HO2  
1678 H  H31  . GOL C .   ? 1.08256 1.08256 1.08256 0.00000  0.00000  0.00000  502 GOL A H31  
1679 H  H32  . GOL C .   ? 1.08256 1.08256 1.08256 0.00000  0.00000  0.00000  502 GOL A H32  
1680 H  HO3  . GOL C .   ? 1.09463 1.09463 1.09463 0.00000  -0.00000 -0.00000 502 GOL A HO3  
1681 CL CL   . CL  D .   ? 1.01002 0.98749 0.82972 0.00038  -0.01807 0.30897  503 CL  A CL   
1682 CL CL   . CL  E .   ? 0.73122 0.83468 0.57478 -0.12640 0.06195  0.11392  504 CL  A CL   
1683 CL CL   . CL  F .   ? 0.97526 1.13494 0.97665 -0.01741 -0.06123 0.01767  505 CL  A CL   
1684 CL CL   . CL  G .   ? 0.58272 0.63441 0.54279 0.21355  -0.04173 -0.08730 506 CL  A CL   
1685 CL CL   . CL  H .   ? 0.92226 0.92233 0.85736 -0.09130 0.06552  -0.06548 507 CL  A CL   
1686 CL CL   . CL  I .   ? 1.24423 1.19861 1.10821 0.04801  -0.12952 0.10717  508 CL  A CL   
1687 CL CL   . CL  J .   ? 0.93458 1.25604 1.47877 0.33865  -0.07093 -0.06065 509 CL  A CL   
1688 CL CL   . CL  K .   ? 1.48592 1.04602 1.67888 0.03840  0.21863  -0.03638 510 CL  A CL   
1689 CL CL   . CL  L .   ? 0.92531 0.91495 0.72011 -0.46230 0.13230  -0.26698 511 CL  A CL   
1690 NA NA   . NA  M .   ? 0.62036 0.75135 0.40907 -0.38767 -0.04424 -0.03523 512 NA  A NA   
1691 NA NA   . NA  N .   ? 1.14360 0.97227 1.09786 0.10342  -0.04174 -0.40487 513 NA  A NA   
1692 NA NA   . NA  O .   ? 0.63498 0.87370 1.02698 0.23875  0.14295  -0.05628 514 NA  A NA   
1693 NA NA   . NA  P .   ? 0.71891 0.73557 0.89769 -0.12051 0.14010  -0.10374 515 NA  A NA   
1694 NA NA   . NA  Q .   ? 0.81306 1.06390 0.63916 -0.05572 0.11034  0.16905  516 NA  A NA   
1695 O  O    . HOH R .   ? 0.98994 1.04256 0.59937 0.02219  -0.32122 -0.04938 601 HOH A O    
1696 O  O    . HOH R .   ? 0.72813 1.27063 0.81500 0.03761  0.06813  -0.40521 602 HOH A O    
1697 O  O    . HOH R .   ? 0.86342 0.52988 0.38200 -0.14251 -0.05068 -0.06061 603 HOH A O    
1698 O  O    . HOH R .   ? 0.23201 0.68056 0.51703 -0.05506 0.11080  -0.02452 604 HOH A O    
1699 O  O    . HOH R .   ? 0.56265 1.02619 0.74743 -0.28317 -0.12272 0.03718  605 HOH A O    
1700 O  O    . HOH R .   ? 0.79161 0.46032 0.23914 0.03199  0.05595  0.05264  606 HOH A O    
1701 O  O    . HOH R .   ? 0.44757 0.63156 0.35454 0.23594  -0.08012 0.01689  607 HOH A O    
1702 O  O    . HOH R .   ? 0.53360 1.52762 0.80451 0.08868  0.16261  -0.15701 608 HOH A O    
1703 O  O    . HOH R .   ? 1.09023 0.91545 1.13202 -0.02033 0.23447  0.08695  609 HOH A O    
1704 O  O    . HOH R .   ? 0.61756 0.72993 0.85555 0.01570  -0.00024 0.18425  610 HOH A O    
1705 O  O    . HOH R .   ? 0.46546 0.33611 0.52687 0.19562  0.03166  0.13282  611 HOH A O    
1706 O  O    . HOH R .   ? 0.43663 0.29538 0.65578 0.16948  -0.09015 -0.07089 612 HOH A O    
1707 O  O    . HOH R .   ? 1.01453 0.96918 1.02175 -0.24980 -0.30269 0.24257  613 HOH A O    
1708 O  O    . HOH R .   ? 0.41717 0.32872 0.46892 0.16370  -0.09319 0.11993  614 HOH A O    
1709 O  O    . HOH R .   ? 0.70944 0.33181 0.72975 -0.05678 -0.11765 0.08469  615 HOH A O    
1710 O  O    . HOH R .   ? 1.35840 0.35037 0.72230 -0.04821 -0.12667 -0.02039 616 HOH A O    
1711 O  O    . HOH R .   ? 0.79637 0.41593 0.72204 0.00332  0.23748  0.12716  617 HOH A O    
1712 O  O    . HOH R .   ? 1.17661 0.64330 0.50855 -0.25092 0.12797  0.03619  618 HOH A O    
1713 O  O    . HOH R .   ? 1.09737 1.14617 0.99108 0.11484  0.10168  -0.15200 619 HOH A O    
1714 O  O    . HOH R .   ? 0.80955 0.86154 0.67253 0.27157  -0.06481 -0.15941 620 HOH A O    
1715 O  O    . HOH R .   ? 0.93953 0.64982 0.58666 0.31569  0.01819  -0.08850 621 HOH A O    
1716 O  O    . HOH R .   ? 0.24276 0.67324 0.54517 -0.08153 0.02471  -0.27046 622 HOH A O    
1717 O  O    . HOH R .   ? 0.96236 0.77214 1.01239 -0.02741 -0.25607 0.39510  623 HOH A O    
1718 O  O    . HOH R .   ? 0.47263 1.23526 0.90942 -0.25118 0.03559  0.02058  624 HOH A O    
1719 O  O    . HOH R .   ? 0.66402 0.62240 0.92565 -0.28025 0.02729  -0.29393 625 HOH A O    
1720 O  O    . HOH R .   ? 1.29414 0.91434 0.56060 -0.33489 -0.22740 0.15313  626 HOH A O    
1721 O  O    . HOH R .   ? 0.81679 0.91050 0.42537 -0.29386 -0.00337 0.10951  627 HOH A O    
1722 O  O    . HOH R .   ? 0.66821 0.91645 0.92587 -0.11588 -0.00228 -0.14368 628 HOH A O    
1723 O  O    . HOH R .   ? 0.84924 0.83183 0.65415 0.00978  0.03029  0.00920  629 HOH A O    
1724 O  O    . HOH R .   ? 1.43080 0.71534 0.52894 0.20610  -0.24264 -0.00008 630 HOH A O    
1725 O  O    . HOH R .   ? 0.81405 1.10982 0.47307 0.06874  0.05190  0.15869  631 HOH A O    
1726 O  O    . HOH R .   ? 1.15495 0.68188 1.06471 -0.10038 -0.07307 -0.06959 632 HOH A O    
1727 O  O    . HOH R .   ? 0.98457 0.72114 0.92381 -0.15608 0.03469  -0.00860 633 HOH A O    
1728 O  O    . HOH R .   ? 0.65834 1.00139 1.04781 -0.16208 -0.32661 0.13513  634 HOH A O    
1729 O  O    . HOH R .   ? 0.73408 0.82499 0.68349 0.18547  0.25682  -0.10856 635 HOH A O    
1730 O  O    . HOH R .   ? 1.02145 0.94005 1.14603 0.16463  0.00553  0.14293  636 HOH A O    
1731 O  O    . HOH R .   ? 0.85738 0.92235 1.01913 -0.11628 0.23355  -0.16202 637 HOH A O    
1732 O  O    . HOH R .   ? 0.96328 0.91518 0.94243 0.05159  -0.04138 0.13972  638 HOH A O    
1733 O  O    . HOH R .   ? 0.55587 0.64865 0.74882 -0.23386 -0.04970 0.09026  639 HOH A O    
1734 O  O    . HOH R .   ? 0.40889 1.35474 0.89213 -0.04799 -0.01103 -0.03977 640 HOH A O    
1735 O  O    . HOH R .   ? 1.15017 0.86737 0.61037 0.10270  0.02238  -0.10948 641 HOH A O    
1736 O  O    . HOH R .   ? 0.95910 0.92350 0.98628 -0.15936 0.17591  -0.09505 642 HOH A O    
1737 O  O    . HOH R .   ? 0.82396 0.82986 0.81645 0.48238  -0.01841 0.04814  643 HOH A O    
1738 O  O    . HOH R .   ? 0.62830 0.90565 1.18589 -0.36677 -0.21599 -0.07761 644 HOH A O    
1739 O  O    . HOH R .   ? 0.98724 1.01718 0.72760 -0.30922 0.19382  -0.04022 645 HOH A O    
1740 O  O    . HOH R .   ? 0.78375 1.05735 0.87878 0.13732  -0.06252 0.01371  646 HOH A O    
1741 O  O    . HOH R .   ? 0.98583 1.05503 1.25277 0.00581  0.10170  0.08527  647 HOH A O    
1742 O  O    . HOH R .   ? 0.67975 1.13052 0.72853 -0.13191 -0.07662 0.21749  648 HOH A O    
1743 O  O    . HOH R .   ? 0.91994 0.64852 0.89604 0.13419  0.13640  -0.02490 649 HOH A O    
1744 O  O    . HOH R .   ? 0.27409 0.69303 0.44629 0.07079  -0.04534 0.21469  650 HOH A O    
1745 O  O    . HOH R .   ? 0.96548 0.84398 0.75331 0.17071  0.23410  0.16668  651 HOH A O    
1746 O  O    . HOH R .   ? 0.38925 0.23562 0.50431 0.16103  -0.00803 -0.03891 652 HOH A O    
# 
