data_9I5W
# 
_entry.id   9I5W 
# 
_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   9I5W         pdb_00009i5w 10.2210/pdb9i5w/pdb 
WWPDB D_1292144956 ?            ?                   
# 
_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       2025-02-12 
# 
_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                        9I5W 
_pdbx_database_status.recvd_initial_deposition_date   2025-01-28 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_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                 3 
_pdbx_contact_author.email              mh256@cam.ac.uk 
_pdbx_contact_author.name_first         Marko 
_pdbx_contact_author.name_last          Hyvonen 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-8683-4070 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Quambusch, L.' 1 0000-0002-1463-2450 
'Hyvonen, M.'   2 0000-0001-8683-4070 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Structure of mature Activin A' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Quambusch, L.' 1 0000-0002-1463-2450 
primary 'Hyvonen, M.'   2 0000-0001-8683-4070 
# 
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 'Inhibin beta A chain' 12991.865 2   ? ? ? ? 
2 non-polymer syn 'DIMETHYL SULFOXIDE'   78.133    6   ? ? ? ? 
3 non-polymer syn 'SULFATE ION'          96.063    6   ? ? ? ? 
4 water       nat water                  18.015    134 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Activin beta-A chain,Erythroid differentiation protein,EDF' 
# 
_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       
;GLECDGKVNICCKKQFFVSFKDIGWNDWIIAPSGYHANYCEGECPSHIAGTSGSSLSFHSTVINHYRMRGHSPFANLKSC
CVPTKLRPMSMLYYDDGQNIIKKDIQNMIVEECGCS
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GLECDGKVNICCKKQFFVSFKDIGWNDWIIAPSGYHANYCEGECPSHIAGTSGSSLSFHSTVINHYRMRGHSPFANLKSC
CVPTKLRPMSMLYYDDGQNIIKKDIQNMIVEECGCS
;
_entity_poly.pdbx_strand_id                 A,B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'DIMETHYL SULFOXIDE' DMS 
3 'SULFATE ION'        SO4 
4 water                HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   LEU n 
1 3   GLU n 
1 4   CYS n 
1 5   ASP n 
1 6   GLY n 
1 7   LYS n 
1 8   VAL n 
1 9   ASN n 
1 10  ILE n 
1 11  CYS n 
1 12  CYS n 
1 13  LYS n 
1 14  LYS n 
1 15  GLN n 
1 16  PHE n 
1 17  PHE n 
1 18  VAL n 
1 19  SER n 
1 20  PHE n 
1 21  LYS n 
1 22  ASP n 
1 23  ILE n 
1 24  GLY n 
1 25  TRP n 
1 26  ASN n 
1 27  ASP n 
1 28  TRP n 
1 29  ILE n 
1 30  ILE n 
1 31  ALA n 
1 32  PRO n 
1 33  SER n 
1 34  GLY n 
1 35  TYR n 
1 36  HIS n 
1 37  ALA n 
1 38  ASN n 
1 39  TYR n 
1 40  CYS n 
1 41  GLU n 
1 42  GLY n 
1 43  GLU n 
1 44  CYS n 
1 45  PRO n 
1 46  SER n 
1 47  HIS n 
1 48  ILE n 
1 49  ALA n 
1 50  GLY n 
1 51  THR n 
1 52  SER n 
1 53  GLY n 
1 54  SER n 
1 55  SER n 
1 56  LEU n 
1 57  SER n 
1 58  PHE n 
1 59  HIS n 
1 60  SER n 
1 61  THR n 
1 62  VAL n 
1 63  ILE n 
1 64  ASN n 
1 65  HIS n 
1 66  TYR n 
1 67  ARG n 
1 68  MET n 
1 69  ARG n 
1 70  GLY n 
1 71  HIS n 
1 72  SER n 
1 73  PRO n 
1 74  PHE n 
1 75  ALA n 
1 76  ASN n 
1 77  LEU n 
1 78  LYS n 
1 79  SER n 
1 80  CYS n 
1 81  CYS n 
1 82  VAL n 
1 83  PRO n 
1 84  THR n 
1 85  LYS n 
1 86  LEU n 
1 87  ARG n 
1 88  PRO n 
1 89  MET n 
1 90  SER n 
1 91  MET n 
1 92  LEU n 
1 93  TYR n 
1 94  TYR n 
1 95  ASP n 
1 96  ASP n 
1 97  GLY n 
1 98  GLN n 
1 99  ASN n 
1 100 ILE n 
1 101 ILE n 
1 102 LYS n 
1 103 LYS n 
1 104 ASP n 
1 105 ILE n 
1 106 GLN n 
1 107 ASN n 
1 108 MET n 
1 109 ILE n 
1 110 VAL n 
1 111 GLU n 
1 112 GLU n 
1 113 CYS n 
1 114 GLY n 
1 115 CYS n 
1 116 SER 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                   116 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 INHBA 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE              ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE             ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE           ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'      ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE             ? 'C3 H7 N O2 S'   121.158 
DMS non-polymer         . 'DIMETHYL SULFOXIDE' ? 'C2 H6 O S'      78.133  
GLN 'L-peptide linking' y GLUTAMINE            ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'      ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE              ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE            ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE           ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE              ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE               ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE           ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE        ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE              ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE               ? 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'        ? 'O4 S -2'        96.063  
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   GLY 1   311 311 GLY GLY A . n 
A 1 2   LEU 2   312 312 LEU LEU A . n 
A 1 3   GLU 3   313 313 GLU GLU A . n 
A 1 4   CYS 4   314 314 CYS CYS A . n 
A 1 5   ASP 5   315 315 ASP ASP A . n 
A 1 6   GLY 6   316 316 GLY GLY A . n 
A 1 7   LYS 7   317 317 LYS LYS A . n 
A 1 8   VAL 8   318 318 VAL VAL A . n 
A 1 9   ASN 9   319 319 ASN ASN A . n 
A 1 10  ILE 10  320 320 ILE ILE A . n 
A 1 11  CYS 11  321 321 CYS CYS A . n 
A 1 12  CYS 12  322 322 CYS CYS A . n 
A 1 13  LYS 13  323 323 LYS LYS A . n 
A 1 14  LYS 14  324 324 LYS LYS A . n 
A 1 15  GLN 15  325 325 GLN GLN A . n 
A 1 16  PHE 16  326 326 PHE PHE A . n 
A 1 17  PHE 17  327 327 PHE PHE A . n 
A 1 18  VAL 18  328 328 VAL VAL A . n 
A 1 19  SER 19  329 329 SER SER A . n 
A 1 20  PHE 20  330 330 PHE PHE A . n 
A 1 21  LYS 21  331 331 LYS LYS A . n 
A 1 22  ASP 22  332 332 ASP ASP A . n 
A 1 23  ILE 23  333 333 ILE ILE A . n 
A 1 24  GLY 24  334 334 GLY GLY A . n 
A 1 25  TRP 25  335 335 TRP TRP A . n 
A 1 26  ASN 26  336 336 ASN ASN A . n 
A 1 27  ASP 27  337 337 ASP ASP A . n 
A 1 28  TRP 28  338 338 TRP TRP A . n 
A 1 29  ILE 29  339 339 ILE ILE A . n 
A 1 30  ILE 30  340 340 ILE ILE A . n 
A 1 31  ALA 31  341 341 ALA ALA A . n 
A 1 32  PRO 32  342 342 PRO PRO A . n 
A 1 33  SER 33  343 343 SER SER A . n 
A 1 34  GLY 34  344 344 GLY GLY A . n 
A 1 35  TYR 35  345 345 TYR TYR A . n 
A 1 36  HIS 36  346 346 HIS HIS A . n 
A 1 37  ALA 37  347 347 ALA ALA A . n 
A 1 38  ASN 38  348 348 ASN ASN A . n 
A 1 39  TYR 39  349 349 TYR TYR A . n 
A 1 40  CYS 40  350 350 CYS CYS A . n 
A 1 41  GLU 41  351 351 GLU GLU A . n 
A 1 42  GLY 42  352 352 GLY GLY A . n 
A 1 43  GLU 43  353 353 GLU GLU A . n 
A 1 44  CYS 44  354 354 CYS CYS A . n 
A 1 45  PRO 45  355 355 PRO PRO A . n 
A 1 46  SER 46  356 356 SER SER A . n 
A 1 47  HIS 47  357 357 HIS HIS A . n 
A 1 48  ILE 48  358 358 ILE ILE A . n 
A 1 49  ALA 49  359 359 ALA ALA A . n 
A 1 50  GLY 50  360 360 GLY GLY A . n 
A 1 51  THR 51  361 361 THR THR A . n 
A 1 52  SER 52  362 362 SER SER A . n 
A 1 53  GLY 53  363 363 GLY GLY A . n 
A 1 54  SER 54  364 364 SER SER A . n 
A 1 55  SER 55  365 365 SER SER A . n 
A 1 56  LEU 56  366 366 LEU LEU A . n 
A 1 57  SER 57  367 367 SER SER A . n 
A 1 58  PHE 58  368 368 PHE PHE A . n 
A 1 59  HIS 59  369 369 HIS HIS A . n 
A 1 60  SER 60  370 370 SER SER A . n 
A 1 61  THR 61  371 371 THR THR A . n 
A 1 62  VAL 62  372 372 VAL VAL A . n 
A 1 63  ILE 63  373 373 ILE ILE A . n 
A 1 64  ASN 64  374 374 ASN ASN A . n 
A 1 65  HIS 65  375 375 HIS HIS A . n 
A 1 66  TYR 66  376 376 TYR TYR A . n 
A 1 67  ARG 67  377 377 ARG ARG A . n 
A 1 68  MET 68  378 378 MET MET A . n 
A 1 69  ARG 69  379 379 ARG ARG A . n 
A 1 70  GLY 70  380 380 GLY GLY A . n 
A 1 71  HIS 71  381 381 HIS HIS A . n 
A 1 72  SER 72  382 382 SER SER A . n 
A 1 73  PRO 73  383 383 PRO PRO A . n 
A 1 74  PHE 74  384 384 PHE PHE A . n 
A 1 75  ALA 75  385 385 ALA ALA A . n 
A 1 76  ASN 76  386 386 ASN ASN A . n 
A 1 77  LEU 77  387 387 LEU LEU A . n 
A 1 78  LYS 78  388 388 LYS LYS A . n 
A 1 79  SER 79  389 389 SER SER A . n 
A 1 80  CYS 80  390 390 CYS CYS A . n 
A 1 81  CYS 81  391 391 CYS CYS A . n 
A 1 82  VAL 82  392 392 VAL VAL A . n 
A 1 83  PRO 83  393 393 PRO PRO A . n 
A 1 84  THR 84  394 394 THR THR A . n 
A 1 85  LYS 85  395 395 LYS LYS A . n 
A 1 86  LEU 86  396 396 LEU LEU A . n 
A 1 87  ARG 87  397 397 ARG ARG A . n 
A 1 88  PRO 88  398 398 PRO PRO A . n 
A 1 89  MET 89  399 399 MET MET A . n 
A 1 90  SER 90  400 400 SER SER A . n 
A 1 91  MET 91  401 401 MET MET A . n 
A 1 92  LEU 92  402 402 LEU LEU A . n 
A 1 93  TYR 93  403 403 TYR TYR A . n 
A 1 94  TYR 94  404 404 TYR TYR A . n 
A 1 95  ASP 95  405 405 ASP ASP A . n 
A 1 96  ASP 96  406 406 ASP ASP A . n 
A 1 97  GLY 97  407 407 GLY GLY A . n 
A 1 98  GLN 98  408 408 GLN GLN A . n 
A 1 99  ASN 99  409 409 ASN ASN A . n 
A 1 100 ILE 100 410 410 ILE ILE A . n 
A 1 101 ILE 101 411 411 ILE ILE A . n 
A 1 102 LYS 102 412 412 LYS LYS A . n 
A 1 103 LYS 103 413 413 LYS LYS A . n 
A 1 104 ASP 104 414 414 ASP ASP A . n 
A 1 105 ILE 105 415 415 ILE ILE A . n 
A 1 106 GLN 106 416 416 GLN GLN A . n 
A 1 107 ASN 107 417 417 ASN ASN A . n 
A 1 108 MET 108 418 418 MET MET A . n 
A 1 109 ILE 109 419 419 ILE ILE A . n 
A 1 110 VAL 110 420 420 VAL VAL A . n 
A 1 111 GLU 111 421 421 GLU GLU A . n 
A 1 112 GLU 112 422 422 GLU GLU A . n 
A 1 113 CYS 113 423 423 CYS CYS A . n 
A 1 114 GLY 114 424 424 GLY GLY A . n 
A 1 115 CYS 115 425 425 CYS CYS A . n 
A 1 116 SER 116 426 426 SER SER A . n 
B 1 1   GLY 1   311 311 GLY GLY B . n 
B 1 2   LEU 2   312 312 LEU LEU B . n 
B 1 3   GLU 3   313 313 GLU GLU B . n 
B 1 4   CYS 4   314 314 CYS CYS B . n 
B 1 5   ASP 5   315 315 ASP ASP B . n 
B 1 6   GLY 6   316 316 GLY GLY B . n 
B 1 7   LYS 7   317 317 LYS LYS B . n 
B 1 8   VAL 8   318 318 VAL VAL B . n 
B 1 9   ASN 9   319 319 ASN ASN B . n 
B 1 10  ILE 10  320 320 ILE ILE B . n 
B 1 11  CYS 11  321 321 CYS CYS B . n 
B 1 12  CYS 12  322 322 CYS CYS B . n 
B 1 13  LYS 13  323 323 LYS LYS B . n 
B 1 14  LYS 14  324 324 LYS LYS B . n 
B 1 15  GLN 15  325 325 GLN GLN B . n 
B 1 16  PHE 16  326 326 PHE PHE B . n 
B 1 17  PHE 17  327 327 PHE PHE B . n 
B 1 18  VAL 18  328 328 VAL VAL B . n 
B 1 19  SER 19  329 329 SER SER B . n 
B 1 20  PHE 20  330 330 PHE PHE B . n 
B 1 21  LYS 21  331 331 LYS LYS B . n 
B 1 22  ASP 22  332 332 ASP ASP B . n 
B 1 23  ILE 23  333 333 ILE ILE B . n 
B 1 24  GLY 24  334 334 GLY GLY B . n 
B 1 25  TRP 25  335 335 TRP TRP B . n 
B 1 26  ASN 26  336 336 ASN ASN B . n 
B 1 27  ASP 27  337 337 ASP ASP B . n 
B 1 28  TRP 28  338 338 TRP TRP B . n 
B 1 29  ILE 29  339 339 ILE ILE B . n 
B 1 30  ILE 30  340 340 ILE ILE B . n 
B 1 31  ALA 31  341 341 ALA ALA B . n 
B 1 32  PRO 32  342 342 PRO PRO B . n 
B 1 33  SER 33  343 343 SER SER B . n 
B 1 34  GLY 34  344 344 GLY GLY B . n 
B 1 35  TYR 35  345 345 TYR TYR B . n 
B 1 36  HIS 36  346 346 HIS HIS B . n 
B 1 37  ALA 37  347 347 ALA ALA B . n 
B 1 38  ASN 38  348 348 ASN ASN B . n 
B 1 39  TYR 39  349 349 TYR TYR B . n 
B 1 40  CYS 40  350 350 CYS CYS B . n 
B 1 41  GLU 41  351 351 GLU GLU B . n 
B 1 42  GLY 42  352 352 GLY GLY B . n 
B 1 43  GLU 43  353 353 GLU GLU B . n 
B 1 44  CYS 44  354 354 CYS CYS B . n 
B 1 45  PRO 45  355 355 PRO PRO B . n 
B 1 46  SER 46  356 ?   ?   ?   B . n 
B 1 47  HIS 47  357 ?   ?   ?   B . n 
B 1 48  ILE 48  358 ?   ?   ?   B . n 
B 1 49  ALA 49  359 ?   ?   ?   B . n 
B 1 50  GLY 50  360 ?   ?   ?   B . n 
B 1 51  THR 51  361 ?   ?   ?   B . n 
B 1 52  SER 52  362 ?   ?   ?   B . n 
B 1 53  GLY 53  363 ?   ?   ?   B . n 
B 1 54  SER 54  364 ?   ?   ?   B . n 
B 1 55  SER 55  365 ?   ?   ?   B . n 
B 1 56  LEU 56  366 366 LEU LEU B . n 
B 1 57  SER 57  367 367 SER SER B . n 
B 1 58  PHE 58  368 368 PHE PHE B . n 
B 1 59  HIS 59  369 369 HIS HIS B . n 
B 1 60  SER 60  370 370 SER SER B . n 
B 1 61  THR 61  371 371 THR THR B . n 
B 1 62  VAL 62  372 372 VAL VAL B . n 
B 1 63  ILE 63  373 373 ILE ILE B . n 
B 1 64  ASN 64  374 374 ASN ASN B . n 
B 1 65  HIS 65  375 375 HIS HIS B . n 
B 1 66  TYR 66  376 376 TYR TYR B . n 
B 1 67  ARG 67  377 377 ARG ARG B . n 
B 1 68  MET 68  378 378 MET MET B . n 
B 1 69  ARG 69  379 379 ARG ARG B . n 
B 1 70  GLY 70  380 380 GLY GLY B . n 
B 1 71  HIS 71  381 381 HIS HIS B . n 
B 1 72  SER 72  382 382 SER SER B . n 
B 1 73  PRO 73  383 383 PRO PRO B . n 
B 1 74  PHE 74  384 384 PHE PHE B . n 
B 1 75  ALA 75  385 385 ALA ALA B . n 
B 1 76  ASN 76  386 386 ASN ASN B . n 
B 1 77  LEU 77  387 387 LEU LEU B . n 
B 1 78  LYS 78  388 388 LYS LYS B . n 
B 1 79  SER 79  389 389 SER SER B . n 
B 1 80  CYS 80  390 390 CYS CYS B . n 
B 1 81  CYS 81  391 391 CYS CYS B . n 
B 1 82  VAL 82  392 392 VAL VAL B . n 
B 1 83  PRO 83  393 393 PRO PRO B . n 
B 1 84  THR 84  394 394 THR THR B . n 
B 1 85  LYS 85  395 395 LYS LYS B . n 
B 1 86  LEU 86  396 396 LEU LEU B . n 
B 1 87  ARG 87  397 397 ARG ARG B . n 
B 1 88  PRO 88  398 398 PRO PRO B . n 
B 1 89  MET 89  399 399 MET MET B . n 
B 1 90  SER 90  400 400 SER SER B . n 
B 1 91  MET 91  401 401 MET MET B . n 
B 1 92  LEU 92  402 402 LEU LEU B . n 
B 1 93  TYR 93  403 403 TYR TYR B . n 
B 1 94  TYR 94  404 404 TYR TYR B . n 
B 1 95  ASP 95  405 405 ASP ASP B . n 
B 1 96  ASP 96  406 406 ASP ASP B . n 
B 1 97  GLY 97  407 407 GLY GLY B . n 
B 1 98  GLN 98  408 408 GLN GLN B . n 
B 1 99  ASN 99  409 409 ASN ASN B . n 
B 1 100 ILE 100 410 410 ILE ILE B . n 
B 1 101 ILE 101 411 411 ILE ILE B . n 
B 1 102 LYS 102 412 412 LYS LYS B . n 
B 1 103 LYS 103 413 413 LYS LYS B . n 
B 1 104 ASP 104 414 414 ASP ASP B . n 
B 1 105 ILE 105 415 415 ILE ILE B . n 
B 1 106 GLN 106 416 416 GLN GLN B . n 
B 1 107 ASN 107 417 417 ASN ASN B . n 
B 1 108 MET 108 418 418 MET MET B . n 
B 1 109 ILE 109 419 419 ILE ILE B . n 
B 1 110 VAL 110 420 420 VAL VAL B . n 
B 1 111 GLU 111 421 421 GLU GLU B . n 
B 1 112 GLU 112 422 422 GLU GLU B . n 
B 1 113 CYS 113 423 423 CYS CYS B . n 
B 1 114 GLY 114 424 424 GLY GLY B . n 
B 1 115 CYS 115 425 425 CYS CYS B . n 
B 1 116 SER 116 426 426 SER SER B . 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 
C 2 DMS 1  501 12  DMS DMS A . 
D 3 SO4 1  502 1   SO4 SO4 A . 
E 3 SO4 1  503 2   SO4 SO4 A . 
F 3 SO4 1  504 3   SO4 SO4 A . 
G 3 SO4 1  505 6   SO4 SO4 A . 
H 2 DMS 1  501 501 DMS DMS B . 
I 2 DMS 1  502 7   DMS DMS B . 
J 2 DMS 1  503 8   DMS DMS B . 
K 2 DMS 1  504 9   DMS DMS B . 
L 2 DMS 1  505 10  DMS DMS B . 
M 3 SO4 1  506 4   SO4 SO4 B . 
N 3 SO4 1  507 5   SO4 SO4 B . 
O 4 HOH 1  601 107 HOH HOH A . 
O 4 HOH 2  602 17  HOH HOH A . 
O 4 HOH 3  603 18  HOH HOH A . 
O 4 HOH 4  604 51  HOH HOH A . 
O 4 HOH 5  605 65  HOH HOH A . 
O 4 HOH 6  606 71  HOH HOH A . 
O 4 HOH 7  607 134 HOH HOH A . 
O 4 HOH 8  608 128 HOH HOH A . 
O 4 HOH 9  609 16  HOH HOH A . 
O 4 HOH 10 610 9   HOH HOH A . 
O 4 HOH 11 611 119 HOH HOH A . 
O 4 HOH 12 612 91  HOH HOH A . 
O 4 HOH 13 613 126 HOH HOH A . 
O 4 HOH 14 614 35  HOH HOH A . 
O 4 HOH 15 615 14  HOH HOH A . 
O 4 HOH 16 616 5   HOH HOH A . 
O 4 HOH 17 617 26  HOH HOH A . 
O 4 HOH 18 618 59  HOH HOH A . 
O 4 HOH 19 619 45  HOH HOH A . 
O 4 HOH 20 620 36  HOH HOH A . 
O 4 HOH 21 621 24  HOH HOH A . 
O 4 HOH 22 622 7   HOH HOH A . 
O 4 HOH 23 623 8   HOH HOH A . 
O 4 HOH 24 624 15  HOH HOH A . 
O 4 HOH 25 625 13  HOH HOH A . 
O 4 HOH 26 626 19  HOH HOH A . 
O 4 HOH 27 627 31  HOH HOH A . 
O 4 HOH 28 628 32  HOH HOH A . 
O 4 HOH 29 629 52  HOH HOH A . 
O 4 HOH 30 630 20  HOH HOH A . 
O 4 HOH 31 631 3   HOH HOH A . 
O 4 HOH 32 632 70  HOH HOH A . 
O 4 HOH 33 633 44  HOH HOH A . 
O 4 HOH 34 634 50  HOH HOH A . 
O 4 HOH 35 635 56  HOH HOH A . 
O 4 HOH 36 636 12  HOH HOH A . 
O 4 HOH 37 637 68  HOH HOH A . 
O 4 HOH 38 638 28  HOH HOH A . 
O 4 HOH 39 639 1   HOH HOH A . 
O 4 HOH 40 640 21  HOH HOH A . 
O 4 HOH 41 641 41  HOH HOH A . 
O 4 HOH 42 642 62  HOH HOH A . 
O 4 HOH 43 643 40  HOH HOH A . 
O 4 HOH 44 644 4   HOH HOH A . 
O 4 HOH 45 645 6   HOH HOH A . 
O 4 HOH 46 646 96  HOH HOH A . 
O 4 HOH 47 647 33  HOH HOH A . 
O 4 HOH 48 648 22  HOH HOH A . 
O 4 HOH 49 649 57  HOH HOH A . 
O 4 HOH 50 650 46  HOH HOH A . 
O 4 HOH 51 651 54  HOH HOH A . 
O 4 HOH 52 652 100 HOH HOH A . 
O 4 HOH 53 653 61  HOH HOH A . 
O 4 HOH 54 654 87  HOH HOH A . 
O 4 HOH 55 655 113 HOH HOH A . 
O 4 HOH 56 656 55  HOH HOH A . 
O 4 HOH 57 657 79  HOH HOH A . 
O 4 HOH 58 658 95  HOH HOH A . 
O 4 HOH 59 659 23  HOH HOH A . 
O 4 HOH 60 660 66  HOH HOH A . 
O 4 HOH 61 661 77  HOH HOH A . 
O 4 HOH 62 662 39  HOH HOH A . 
O 4 HOH 63 663 98  HOH HOH A . 
O 4 HOH 64 664 53  HOH HOH A . 
O 4 HOH 65 665 123 HOH HOH A . 
O 4 HOH 66 666 102 HOH HOH A . 
O 4 HOH 67 667 114 HOH HOH A . 
O 4 HOH 68 668 82  HOH HOH A . 
O 4 HOH 69 669 135 HOH HOH A . 
O 4 HOH 70 670 103 HOH HOH A . 
O 4 HOH 71 671 94  HOH HOH A . 
O 4 HOH 72 672 115 HOH HOH A . 
O 4 HOH 73 673 116 HOH HOH A . 
O 4 HOH 74 674 122 HOH HOH A . 
O 4 HOH 75 675 118 HOH HOH A . 
O 4 HOH 76 676 76  HOH HOH A . 
O 4 HOH 77 677 83  HOH HOH A . 
O 4 HOH 78 678 110 HOH HOH A . 
O 4 HOH 79 679 78  HOH HOH A . 
O 4 HOH 80 680 97  HOH HOH A . 
O 4 HOH 81 681 130 HOH HOH A . 
P 4 HOH 1  601 58  HOH HOH B . 
P 4 HOH 2  602 67  HOH HOH B . 
P 4 HOH 3  603 63  HOH HOH B . 
P 4 HOH 4  604 30  HOH HOH B . 
P 4 HOH 5  605 11  HOH HOH B . 
P 4 HOH 6  606 125 HOH HOH B . 
P 4 HOH 7  607 106 HOH HOH B . 
P 4 HOH 8  608 38  HOH HOH B . 
P 4 HOH 9  609 136 HOH HOH B . 
P 4 HOH 10 610 129 HOH HOH B . 
P 4 HOH 11 611 69  HOH HOH B . 
P 4 HOH 12 612 10  HOH HOH B . 
P 4 HOH 13 613 34  HOH HOH B . 
P 4 HOH 14 614 108 HOH HOH B . 
P 4 HOH 15 615 48  HOH HOH B . 
P 4 HOH 16 616 49  HOH HOH B . 
P 4 HOH 17 617 47  HOH HOH B . 
P 4 HOH 18 618 27  HOH HOH B . 
P 4 HOH 19 619 64  HOH HOH B . 
P 4 HOH 20 620 75  HOH HOH B . 
P 4 HOH 21 621 37  HOH HOH B . 
P 4 HOH 22 622 101 HOH HOH B . 
P 4 HOH 23 623 29  HOH HOH B . 
P 4 HOH 24 624 80  HOH HOH B . 
P 4 HOH 25 625 74  HOH HOH B . 
P 4 HOH 26 626 111 HOH HOH B . 
P 4 HOH 27 627 73  HOH HOH B . 
P 4 HOH 28 628 127 HOH HOH B . 
P 4 HOH 29 629 137 HOH HOH B . 
P 4 HOH 30 630 117 HOH HOH B . 
P 4 HOH 31 631 86  HOH HOH B . 
P 4 HOH 32 632 42  HOH HOH B . 
P 4 HOH 33 633 81  HOH HOH B . 
P 4 HOH 34 634 124 HOH HOH B . 
P 4 HOH 35 635 43  HOH HOH B . 
P 4 HOH 36 636 85  HOH HOH B . 
P 4 HOH 37 637 131 HOH HOH B . 
P 4 HOH 38 638 109 HOH HOH B . 
P 4 HOH 39 639 120 HOH HOH B . 
P 4 HOH 40 640 99  HOH HOH B . 
P 4 HOH 41 641 84  HOH HOH B . 
P 4 HOH 42 642 104 HOH HOH B . 
P 4 HOH 43 643 72  HOH HOH B . 
P 4 HOH 44 644 90  HOH HOH B . 
P 4 HOH 45 645 92  HOH HOH B . 
P 4 HOH 46 646 105 HOH HOH B . 
P 4 HOH 47 647 132 HOH HOH B . 
P 4 HOH 48 648 133 HOH HOH B . 
P 4 HOH 49 649 60  HOH HOH B . 
P 4 HOH 50 650 121 HOH HOH B . 
P 4 HOH 51 651 88  HOH HOH B . 
P 4 HOH 52 652 89  HOH HOH B . 
P 4 HOH 53 653 112 HOH HOH B . 
# 
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       ? ? ? ? ? ? ? ? ? ? ? BUSTER  ? ? ? .           1 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.20.1_4487 2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .           3 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           4 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .           5 
# 
_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                     9I5W 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     63.791 
_cell.length_a_esd                 ? 
_cell.length_b                     96.202 
_cell.length_b_esd                 ? 
_cell.length_c                     118.786 
_cell.length_c_esd                 ? 
_cell.volume                       728968.512 
_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                         9I5W 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                23 
_symmetry.space_group_name_Hall            'I 2 2' 
_symmetry.space_group_name_H-M             'I 2 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9I5W 
_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             3.51 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          64.93 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.4 
_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    '1.55 M (NH4)2SO4, 100 mM Hepes pH 7.4, 8 % DMSO, 40 mM NaSO4' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            294 
# 
_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 EIGER2 XE 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-02-05 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9212 
_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                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9212 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          33.95 
_reflns.entry_id                                       9I5W 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.774 
_reflns.d_resolution_low                               74.760 
_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                                     22126 
_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                           94.3 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                11.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          13.6 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.997 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.774 
_reflns_shell.d_res_low                                     1.964 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1106 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.750 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_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                               48.39 
_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                                 9I5W 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.774 
_refine.ls_d_res_low                             48.10 
_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                     22120 
_refine.ls_number_reflns_R_free                  1046 
_refine.ls_number_reflns_R_work                  21074 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    61.92 
_refine.ls_percent_reflns_R_free                 4.73 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2001 
_refine.ls_R_factor_R_free                       0.2353 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1983 
_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                          1.37 
_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                 34.1805 
_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                            0.2145 
_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                       1.774 
_refine_hist.d_res_low                        48.10 
_refine_hist.number_atoms_solvent             134 
_refine_hist.number_atoms_total               1934 
_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        1746 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         54 
_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' ? 0.0074 ? 1842 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.9901 ? 2481 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0589 ? 249  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0099 ? 315  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 5.7911 ? 239  ? 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' 1.774 1.87  . . 17  313  6.58   . . . . 0.3459 . . . . . . . . . . . 0.3492 
'X-RAY DIFFRACTION' 1.87  1.99  . . 46  951  19.77  . . . . 0.2617 . . . . . . . . . . . 0.3373 
'X-RAY DIFFRACTION' 1.99  2.14  . . 106 2099 43.73  . . . . 0.2476 . . . . . . . . . . . 0.2512 
'X-RAY DIFFRACTION' 2.14  2.35  . . 176 3339 69.14  . . . . 0.2468 . . . . . . . . . . . 0.2589 
'X-RAY DIFFRACTION' 2.35  2.69  . . 216 4403 91.03  . . . . 0.2470 . . . . . . . . . . . 0.2763 
'X-RAY DIFFRACTION' 2.69  3.39  . . 250 4897 100.00 . . . . 0.2113 . . . . . . . . . . . 0.2551 
'X-RAY DIFFRACTION' 3.39  48.10 . . 235 5072 99.98  . . . . 0.1679 . . . . . . . . . . . 0.2067 
# 
_struct.entry_id                     9I5W 
_struct.title                        'Structure of mature Activin A from DMSO solvent optimisation of XChem fragment screen' 
_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        9I5W 
_struct_keywords.text            'activin A, TGF-beta, growth factor, FBDD, inhibitor, SIGNALING PROTEIN' 
_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 1 ? 
C N N 2 ? 
D N N 3 ? 
E N N 3 ? 
F N N 3 ? 
G N N 3 ? 
H N N 2 ? 
I N N 2 ? 
J N N 2 ? 
K N N 2 ? 
L N N 2 ? 
M N N 3 ? 
N N N 3 ? 
O N N 4 ? 
P N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    INHBA_HUMAN 
_struct_ref.pdbx_db_accession          P08476 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;GLECDGKVNICCKKQFFVSFKDIGWNDWIIAPSGYHANYCEGECPSHIAGTSGSSLSFHSTVINHYRMRGHSPFANLKSC
CVPTKLRPMSMLYYDDGQNIIKKDIQNMIVEECGCS
;
_struct_ref.pdbx_align_begin           311 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9I5W A 1 ? 116 ? P08476 311 ? 426 ? 311 426 
2 1 9I5W B 1 ? 116 ? P08476 311 ? 426 ? 311 426 
# 
_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_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 5160  ? 
1 MORE         -87   ? 
1 'SSA (A^2)'  12770 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'assay for oligomerization' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 24 ? ASP A 27 ? GLY A 334 ASP A 337 5 ? 4  
HELX_P HELX_P2 AA2 PRO A 45 ? ALA A 49 ? PRO A 355 ALA A 359 5 ? 5  
HELX_P HELX_P3 AA3 SER A 57 ? ARG A 69 ? SER A 367 ARG A 379 1 ? 13 
HELX_P HELX_P4 AA4 HIS A 71 ? ASN A 76 ? HIS A 381 ASN A 386 1 ? 6  
HELX_P HELX_P5 AA5 SER B 57 ? ARG B 69 ? SER B 367 ARG B 379 1 ? 13 
HELX_P HELX_P6 AA6 HIS B 71 ? ASN B 76 ? HIS B 381 ASN B 386 1 ? 6  
# 
_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 4  SG ? ? ? 1_555 A CYS 12  SG ? ? A CYS 314 A CYS 322 1_555 ? ? ? ? ? ? ? 2.023 ? ? 
disulf2 disulf ? ? A CYS 11 SG ? ? ? 1_555 A CYS 81  SG ? ? A CYS 321 A CYS 391 1_555 ? ? ? ? ? ? ? 1.988 ? ? 
disulf3 disulf ? ? A CYS 40 SG ? ? ? 1_555 A CYS 113 SG ? ? A CYS 350 A CYS 423 1_555 ? ? ? ? ? ? ? 2.000 ? ? 
disulf4 disulf ? ? A CYS 44 SG ? ? ? 1_555 A CYS 115 SG ? ? A CYS 354 A CYS 425 1_555 ? ? ? ? ? ? ? 2.029 ? ? 
disulf5 disulf ? ? A CYS 80 SG ? ? ? 1_555 B CYS 80  SG ? ? A CYS 390 B CYS 390 1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf6 disulf ? ? B CYS 4  SG ? ? ? 1_555 B CYS 12  SG ? ? B CYS 314 B CYS 322 1_555 ? ? ? ? ? ? ? 2.048 ? ? 
disulf7 disulf ? ? B CYS 11 SG ? ? ? 1_555 B CYS 81  SG ? ? B CYS 321 B CYS 391 1_555 ? ? ? ? ? ? ? 2.019 ? ? 
disulf8 disulf ? ? B CYS 40 SG ? ? ? 1_555 B CYS 113 SG ? ? B CYS 350 B CYS 423 1_555 ? ? ? ? ? ? ? 2.030 ? ? 
disulf9 disulf ? ? B CYS 44 SG ? ? ? 1_555 B CYS 115 SG ? ? B CYS 354 B CYS 425 1_555 ? ? ? ? ? ? ? 2.041 ? ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
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 4  ? CYS A 12  ? CYS A 314 ? 1_555 CYS A 322 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 11 ? CYS A 81  ? CYS A 321 ? 1_555 CYS A 391 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 40 ? CYS A 113 ? CYS A 350 ? 1_555 CYS A 423 ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 44 ? CYS A 115 ? CYS A 354 ? 1_555 CYS A 425 ? 1_555 SG SG . . . None 'Disulfide bridge' 
5 CYS A 80 ? CYS B 80  ? CYS A 390 ? 1_555 CYS B 390 ? 1_555 SG SG . . . None 'Disulfide bridge' 
6 CYS B 4  ? CYS B 12  ? CYS B 314 ? 1_555 CYS B 322 ? 1_555 SG SG . . . None 'Disulfide bridge' 
7 CYS B 11 ? CYS B 81  ? CYS B 321 ? 1_555 CYS B 391 ? 1_555 SG SG . . . None 'Disulfide bridge' 
8 CYS B 40 ? CYS B 113 ? CYS B 350 ? 1_555 CYS B 423 ? 1_555 SG SG . . . None 'Disulfide bridge' 
9 CYS B 44 ? CYS B 115 ? CYS B 354 ? 1_555 CYS B 425 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 ALA 31 A . ? ALA 341 A PRO 32 A ? PRO 342 A 1 -5.56 
2 ALA 31 B . ? ALA 341 B PRO 32 B ? PRO 342 B 1 -1.22 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 2 ? 
AA2 ? 2 ? 
AA3 ? 3 ? 
AA4 ? 2 ? 
AA5 ? 2 ? 
AA6 ? 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 
AA4 1 2 ? anti-parallel 
AA5 1 2 ? anti-parallel 
AA6 1 2 ? anti-parallel 
AA6 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 CYS A 12  ? LYS A 14  ? CYS A 322 LYS A 324 
AA1 2 TYR A 39  ? GLU A 41  ? TYR A 349 GLU A 351 
AA2 1 PHE A 17  ? SER A 19  ? PHE A 327 SER A 329 
AA2 2 GLY A 34  ? HIS A 36  ? GLY A 344 HIS A 346 
AA3 1 ILE A 29  ? ALA A 31  ? ILE A 339 ALA A 341 
AA3 2 CYS A 81  ? ASP A 95  ? CYS A 391 ASP A 405 
AA3 3 ASN A 99  ? CYS A 115 ? ASN A 409 CYS A 425 
AA4 1 CYS B 12  ? LYS B 14  ? CYS B 322 LYS B 324 
AA4 2 TYR B 39  ? GLU B 41  ? TYR B 349 GLU B 351 
AA5 1 PHE B 17  ? SER B 19  ? PHE B 327 SER B 329 
AA5 2 GLY B 34  ? HIS B 36  ? GLY B 344 HIS B 346 
AA6 1 ILE B 29  ? ALA B 31  ? ILE B 339 ALA B 341 
AA6 2 CYS B 81  ? TYR B 94  ? CYS B 391 TYR B 404 
AA6 3 ILE B 100 ? CYS B 115 ? ILE B 410 CYS B 425 
# 
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 LYS A 14 ? N LYS A 324 O TYR A 39  ? O TYR A 349 
AA2 1 2 N VAL A 18 ? N VAL A 328 O TYR A 35  ? O TYR A 345 
AA3 1 2 N ALA A 31 ? N ALA A 341 O LEU A 92  ? O LEU A 402 
AA3 2 3 N THR A 84 ? N THR A 394 O GLU A 112 ? O GLU A 422 
AA4 1 2 N LYS B 14 ? N LYS B 324 O TYR B 39  ? O TYR B 349 
AA5 1 2 N VAL B 18 ? N VAL B 328 O TYR B 35  ? O TYR B 345 
AA6 1 2 N ILE B 30 ? N ILE B 340 O LEU B 92  ? O LEU B 402 
AA6 2 3 N MET B 89 ? N MET B 399 O ILE B 105 ? O ILE B 415 
# 
_pdbx_entry_details.entry_id                   9I5W 
_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 LYS A 317 ? ? 77.86  -0.37   
2 1 CYS A 321 ? ? -39.07 124.04  
3 1 ASN A 348 ? ? 72.10  169.48  
4 1 ASN A 409 ? ? 59.04  -133.03 
5 1 ASN B 348 ? ? 62.64  171.44  
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     377 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.076 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z               
2 x,-y,-z             
3 -x,y,-z             
4 -x,-y,z             
5 x+1/2,y+1/2,z+1/2   
6 x+1/2,-y+1/2,-z+1/2 
7 -x+1/2,y+1/2,-z+1/2 
8 -x+1/2,-y+1/2,z+1/2 
# 
_pdbx_refine_tls.id               1 
_pdbx_refine_tls.pdbx_refine_id   'X-RAY DIFFRACTION' 
_pdbx_refine_tls.details          ? 
_pdbx_refine_tls.method           refined 
_pdbx_refine_tls.origin_x         -16.8092384556 
_pdbx_refine_tls.origin_y         -15.2565080352 
_pdbx_refine_tls.origin_z         -35.5631921215 
_pdbx_refine_tls.T[1][1]          0.234958263623 
_pdbx_refine_tls.T[1][1]_esd      ? 
_pdbx_refine_tls.T[1][2]          0.0183484731401 
_pdbx_refine_tls.T[1][2]_esd      ? 
_pdbx_refine_tls.T[1][3]          0.0368083195937 
_pdbx_refine_tls.T[1][3]_esd      ? 
_pdbx_refine_tls.T[2][2]          0.190466204033 
_pdbx_refine_tls.T[2][2]_esd      ? 
_pdbx_refine_tls.T[2][3]          0.0751560969324 
_pdbx_refine_tls.T[2][3]_esd      ? 
_pdbx_refine_tls.T[3][3]          0.23681726158 
_pdbx_refine_tls.T[3][3]_esd      ? 
_pdbx_refine_tls.L[1][1]          3.36743959589 
_pdbx_refine_tls.L[1][1]_esd      ? 
_pdbx_refine_tls.L[1][2]          0.137301878673 
_pdbx_refine_tls.L[1][2]_esd      ? 
_pdbx_refine_tls.L[1][3]          -0.352188895935 
_pdbx_refine_tls.L[1][3]_esd      ? 
_pdbx_refine_tls.L[2][2]          0.448780369912 
_pdbx_refine_tls.L[2][2]_esd      ? 
_pdbx_refine_tls.L[2][3]          0.00643051893829 
_pdbx_refine_tls.L[2][3]_esd      ? 
_pdbx_refine_tls.L[3][3]          0.164164415463 
_pdbx_refine_tls.L[3][3]_esd      ? 
_pdbx_refine_tls.S[1][1]          0.0984336764011 
_pdbx_refine_tls.S[1][1]_esd      ? 
_pdbx_refine_tls.S[1][2]          0.272048134388 
_pdbx_refine_tls.S[1][2]_esd      ? 
_pdbx_refine_tls.S[1][3]          0.578502724841 
_pdbx_refine_tls.S[1][3]_esd      ? 
_pdbx_refine_tls.S[2][1]          -0.108461619422 
_pdbx_refine_tls.S[2][1]_esd      ? 
_pdbx_refine_tls.S[2][2]          0.00122250353027 
_pdbx_refine_tls.S[2][2]_esd      ? 
_pdbx_refine_tls.S[2][3]          0.0349179983627 
_pdbx_refine_tls.S[2][3]_esd      ? 
_pdbx_refine_tls.S[3][1]          -0.163454199752 
_pdbx_refine_tls.S[3][1]_esd      ? 
_pdbx_refine_tls.S[3][2]          -0.0368472186332 
_pdbx_refine_tls.S[3][2]_esd      ? 
_pdbx_refine_tls.S[3][3]          -0.0566905884477 
_pdbx_refine_tls.S[3][3]_esd      ? 
# 
_pdbx_refine_tls_group.id                  1 
_pdbx_refine_tls_group.pdbx_refine_id      'X-RAY DIFFRACTION' 
_pdbx_refine_tls_group.refine_tls_id       1 
_pdbx_refine_tls_group.beg_label_asym_id   A 
_pdbx_refine_tls_group.beg_label_seq_id    1 
_pdbx_refine_tls_group.beg_auth_asym_id    A 
_pdbx_refine_tls_group.beg_auth_seq_id     311 
_pdbx_refine_tls_group.beg_PDB_ins_code    ? 
_pdbx_refine_tls_group.end_label_asym_id   O 
_pdbx_refine_tls_group.end_label_seq_id    ? 
_pdbx_refine_tls_group.end_auth_asym_id    W 
_pdbx_refine_tls_group.end_auth_seq_id     137 
_pdbx_refine_tls_group.end_PDB_ins_code    ? 
_pdbx_refine_tls_group.selection           ? 
_pdbx_refine_tls_group.selection_details   all 
# 
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 B SER 356 ? B SER 46 
2  1 Y 1 B HIS 357 ? B HIS 47 
3  1 Y 1 B ILE 358 ? B ILE 48 
4  1 Y 1 B ALA 359 ? B ALA 49 
5  1 Y 1 B GLY 360 ? B GLY 50 
6  1 Y 1 B THR 361 ? B THR 51 
7  1 Y 1 B SER 362 ? B SER 52 
8  1 Y 1 B GLY 363 ? B GLY 53 
9  1 Y 1 B SER 364 ? B SER 54 
10 1 Y 1 B SER 365 ? B SER 55 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
DMS S    S N N 88  
DMS O    O N N 89  
DMS C1   C N N 90  
DMS C2   C N N 91  
DMS H11  H N N 92  
DMS H12  H N N 93  
DMS H13  H N N 94  
DMS H21  H N N 95  
DMS H22  H N N 96  
DMS H23  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
PHE N    N N N 260 
PHE CA   C N S 261 
PHE C    C N N 262 
PHE O    O N N 263 
PHE CB   C N N 264 
PHE CG   C Y N 265 
PHE CD1  C Y N 266 
PHE CD2  C Y N 267 
PHE CE1  C Y N 268 
PHE CE2  C Y N 269 
PHE CZ   C Y N 270 
PHE OXT  O N N 271 
PHE H    H N N 272 
PHE H2   H N N 273 
PHE HA   H N N 274 
PHE HB2  H N N 275 
PHE HB3  H N N 276 
PHE HD1  H N N 277 
PHE HD2  H N N 278 
PHE HE1  H N N 279 
PHE HE2  H N N 280 
PHE HZ   H N N 281 
PHE HXT  H N N 282 
PRO N    N N N 283 
PRO CA   C N S 284 
PRO C    C N N 285 
PRO O    O N N 286 
PRO CB   C N N 287 
PRO CG   C N N 288 
PRO CD   C N N 289 
PRO OXT  O N N 290 
PRO H    H N N 291 
PRO HA   H N N 292 
PRO HB2  H N N 293 
PRO HB3  H N N 294 
PRO HG2  H N N 295 
PRO HG3  H N N 296 
PRO HD2  H N N 297 
PRO HD3  H N N 298 
PRO HXT  H N N 299 
SER N    N N N 300 
SER CA   C N S 301 
SER C    C N N 302 
SER O    O N N 303 
SER CB   C N N 304 
SER OG   O N N 305 
SER OXT  O N N 306 
SER H    H N N 307 
SER H2   H N N 308 
SER HA   H N N 309 
SER HB2  H N N 310 
SER HB3  H N N 311 
SER HG   H N N 312 
SER HXT  H N N 313 
SO4 S    S N N 314 
SO4 O1   O N N 315 
SO4 O2   O N N 316 
SO4 O3   O N N 317 
SO4 O4   O N N 318 
THR N    N N N 319 
THR CA   C N S 320 
THR C    C N N 321 
THR O    O N N 322 
THR CB   C N R 323 
THR OG1  O N N 324 
THR CG2  C N N 325 
THR OXT  O N N 326 
THR H    H N N 327 
THR H2   H N N 328 
THR HA   H N N 329 
THR HB   H N N 330 
THR HG1  H N N 331 
THR HG21 H N N 332 
THR HG22 H N N 333 
THR HG23 H N N 334 
THR HXT  H N N 335 
TRP N    N N N 336 
TRP CA   C N S 337 
TRP C    C N N 338 
TRP O    O N N 339 
TRP CB   C N N 340 
TRP CG   C Y N 341 
TRP CD1  C Y N 342 
TRP CD2  C Y N 343 
TRP NE1  N Y N 344 
TRP CE2  C Y N 345 
TRP CE3  C Y N 346 
TRP CZ2  C Y N 347 
TRP CZ3  C Y N 348 
TRP CH2  C Y N 349 
TRP OXT  O N N 350 
TRP H    H N N 351 
TRP H2   H N N 352 
TRP HA   H N N 353 
TRP HB2  H N N 354 
TRP HB3  H N N 355 
TRP HD1  H N N 356 
TRP HE1  H N N 357 
TRP HE3  H N N 358 
TRP HZ2  H N N 359 
TRP HZ3  H N N 360 
TRP HH2  H N N 361 
TRP HXT  H N N 362 
TYR N    N N N 363 
TYR CA   C N S 364 
TYR C    C N N 365 
TYR O    O N N 366 
TYR CB   C N N 367 
TYR CG   C Y N 368 
TYR CD1  C Y N 369 
TYR CD2  C Y N 370 
TYR CE1  C Y N 371 
TYR CE2  C Y N 372 
TYR CZ   C Y N 373 
TYR OH   O N N 374 
TYR OXT  O N N 375 
TYR H    H N N 376 
TYR H2   H N N 377 
TYR HA   H N N 378 
TYR HB2  H N N 379 
TYR HB3  H N N 380 
TYR HD1  H N N 381 
TYR HD2  H N N 382 
TYR HE1  H N N 383 
TYR HE2  H N N 384 
TYR HH   H N N 385 
TYR HXT  H N N 386 
VAL N    N N N 387 
VAL CA   C N S 388 
VAL C    C N N 389 
VAL O    O N N 390 
VAL CB   C N N 391 
VAL CG1  C N N 392 
VAL CG2  C N N 393 
VAL OXT  O N N 394 
VAL H    H N N 395 
VAL H2   H N N 396 
VAL HA   H N N 397 
VAL HB   H N N 398 
VAL HG11 H N N 399 
VAL HG12 H N N 400 
VAL HG13 H N N 401 
VAL HG21 H N N 402 
VAL HG22 H N N 403 
VAL HG23 H N N 404 
VAL HXT  H N N 405 
# 
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  
DMS S   O    doub N N 83  
DMS S   C1   sing N N 84  
DMS S   C2   sing N N 85  
DMS C1  H11  sing N N 86  
DMS C1  H12  sing N N 87  
DMS C1  H13  sing N N 88  
DMS C2  H21  sing N N 89  
DMS C2  H22  sing N N 90  
DMS C2  H23  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
SO4 S   O1   doub N N 299 
SO4 S   O2   doub N N 300 
SO4 S   O3   sing N N 301 
SO4 S   O4   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 
# 
_pdbx_audit_support.funding_organization   'German Research Foundation (DFG)' 
_pdbx_audit_support.country                Germany 
_pdbx_audit_support.grant_number           505091675 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2arv 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'I 2 2 2' 
_space_group.name_Hall        'I 2 2' 
_space_group.IT_number        23 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9I5W 
_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]   0.015676 
_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]   0.010395 
_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]   0.008419 
_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.
;
? 
H ? ? 0.51345 0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
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.
;
? 
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 1   ? -17.97073 -28.07747 -32.66319 1.000 37.79154  ? 311 GLY A N   1 
ATOM   2    C CA  . GLY A 1 1   ? -17.28619 -27.50455 -31.52014 1.000 29.59347  ? 311 GLY A CA  1 
ATOM   3    C C   . GLY A 1 1   ? -17.73939 -28.17724 -30.23995 1.000 25.40719  ? 311 GLY A C   1 
ATOM   4    O O   . GLY A 1 1   ? -18.55661 -29.08461 -30.26228 1.000 31.20632  ? 311 GLY A O   1 
ATOM   5    N N   . LEU A 1 2   ? -17.20061 -27.71251 -29.12029 1.000 24.75067  ? 312 LEU A N   1 
ATOM   6    C CA  . LEU A 1 2   ? -17.49658 -28.28686 -27.81297 1.000 26.98831  ? 312 LEU A CA  1 
ATOM   7    C C   . LEU A 1 2   ? -18.82450 -27.77960 -27.26212 1.000 30.70497  ? 312 LEU A C   1 
ATOM   8    O O   . LEU A 1 2   ? -19.13564 -26.58399 -27.31755 1.000 24.72399  ? 312 LEU A O   1 
ATOM   9    C CB  . LEU A 1 2   ? -16.36493 -27.93782 -26.83951 1.000 24.89384  ? 312 LEU A CB  1 
ATOM   10   C CG  . LEU A 1 2   ? -15.91563 -28.86140 -25.71996 1.000 33.12046  ? 312 LEU A CG  1 
ATOM   11   C CD1 . LEU A 1 2   ? -15.41653 -30.14228 -26.33033 1.000 31.60233  ? 312 LEU A CD1 1 
ATOM   12   C CD2 . LEU A 1 2   ? -14.75927 -28.15014 -25.00102 1.000 24.40393  ? 312 LEU A CD2 1 
ATOM   13   N N   . GLU A 1 3   ? -19.60677 -28.69899 -26.72509 1.000 27.61671  ? 313 GLU A N   1 
ATOM   14   C CA  . GLU A 1 3   ? -20.80481 -28.37291 -25.97519 1.000 27.99894  ? 313 GLU A CA  1 
ATOM   15   C C   . GLU A 1 3   ? -20.47957 -28.45774 -24.48921 1.000 33.92126  ? 313 GLU A C   1 
ATOM   16   O O   . GLU A 1 3   ? -19.70256 -29.32157 -24.06121 1.000 28.72253  ? 313 GLU A O   1 
ATOM   17   C CB  . GLU A 1 3   ? -21.93841 -29.33625 -26.31490 1.000 32.16238  ? 313 GLU A CB  1 
ATOM   18   C CG  . GLU A 1 3   ? -22.56310 -29.11429 -27.66108 1.000 40.51339  ? 313 GLU A CG  1 
ATOM   19   C CD  . GLU A 1 3   ? -22.18033 -30.19847 -28.62877 1.000 49.38156  ? 313 GLU A CD  1 
ATOM   20   O OE1 . GLU A 1 3   ? -21.79297 -31.28879 -28.15492 1.000 56.30453  ? 313 GLU A OE1 1 
ATOM   21   O OE2 . GLU A 1 3   ? -22.24497 -29.95449 -29.85373 1.000 60.88469  ? 313 GLU A OE2 1 
ATOM   22   N N   . CYS A 1 4   ? -21.07478 -27.56399 -23.70058 1.000 23.72751  ? 314 CYS A N   1 
ATOM   23   C CA  . CYS A 1 4   ? -20.73173 -27.52173 -22.28433 1.000 31.44941  ? 314 CYS A CA  1 
ATOM   24   C C   . CYS A 1 4   ? -21.33293 -28.72530 -21.57373 1.000 34.28021  ? 314 CYS A C   1 
ATOM   25   O O   . CYS A 1 4   ? -22.34019 -29.29145 -22.00410 1.000 33.24317  ? 314 CYS A O   1 
ATOM   26   C CB  . CYS A 1 4   ? -21.23303 -26.22714 -21.63918 1.000 34.43761  ? 314 CYS A CB  1 
ATOM   27   S SG  . CYS A 1 4   ? -20.58240 -24.67625 -22.36115 1.000 33.86578  ? 314 CYS A SG  1 
ATOM   28   N N   . ASP A 1 5   ? -20.69704 -29.12130 -20.48139 1.000 31.17276  ? 315 ASP A N   1 
ATOM   29   C CA  . ASP A 1 5   ? -21.14868 -30.27125 -19.71869 1.000 39.80294  ? 315 ASP A CA  1 
ATOM   30   C C   . ASP A 1 5   ? -20.41794 -30.20323 -18.38974 1.000 30.65354  ? 315 ASP A C   1 
ATOM   31   O O   . ASP A 1 5   ? -19.51934 -29.37908 -18.20312 1.000 45.16646  ? 315 ASP A O   1 
ATOM   32   C CB  . ASP A 1 5   ? -20.86515 -31.58047 -20.47181 1.000 45.26338  ? 315 ASP A CB  1 
ATOM   33   C CG  . ASP A 1 5   ? -22.09846 -32.48381 -20.58329 1.000 62.67331  ? 315 ASP A CG  1 
ATOM   34   O OD1 . ASP A 1 5   ? -23.15518 -32.14968 -19.99837 1.000 56.90335  ? 315 ASP A OD1 1 
ATOM   35   O OD2 . ASP A 1 5   ? -22.02013 -33.51597 -21.28718 1.000 55.21818  ? 315 ASP A OD2 1 
ATOM   36   N N   . GLY A 1 6   ? -20.83090 -31.05657 -17.45340 1.000 38.54609  ? 316 GLY A N   1 
ATOM   37   C CA  . GLY A 1 6   ? -20.12916 -31.12217 -16.18521 1.000 42.68632  ? 316 GLY A CA  1 
ATOM   38   C C   . GLY A 1 6   ? -18.61766 -31.13631 -16.32828 1.000 52.49120  ? 316 GLY A C   1 
ATOM   39   O O   . GLY A 1 6   ? -18.07182 -31.96480 -17.06229 1.000 42.67663  ? 316 GLY A O   1 
ATOM   40   N N   . LYS A 1 7   ? -17.93248 -30.21057 -15.65592 1.000 40.24162  ? 317 LYS A N   1 
ATOM   41   C CA  . LYS A 1 7   ? -16.47271 -30.10945 -15.54360 1.000 46.95371  ? 317 LYS A CA  1 
ATOM   42   C C   . LYS A 1 7   ? -15.77281 -29.52250 -16.76592 1.000 36.65060  ? 317 LYS A C   1 
ATOM   43   O O   . LYS A 1 7   ? -14.54165 -29.39768 -16.72502 1.000 49.05204  ? 317 LYS A O   1 
ATOM   44   C CB  . LYS A 1 7   ? -15.78778 -31.45233 -15.22285 1.000 61.74635  ? 317 LYS A CB  1 
ATOM   45   C CG  . LYS A 1 7   ? -15.98377 -31.96987 -13.78913 1.000 59.11823  ? 317 LYS A CG  1 
ATOM   46   C CD  . LYS A 1 7   ? -14.96747 -33.06807 -13.44445 1.000 69.56509  ? 317 LYS A CD  1 
ATOM   47   C CE  . LYS A 1 7   ? -15.49083 -34.05182 -12.40050 1.000 82.43467  ? 317 LYS A CE  1 
ATOM   48   N NZ  . LYS A 1 7   ? -15.28082 -35.47400 -12.81685 1.000 74.39309  ? 317 LYS A NZ  1 
ATOM   49   N N   . VAL A 1 8   ? -16.48240 -29.15318 -17.83140 1.000 40.54923  ? 318 VAL A N   1 
ATOM   50   C CA  . VAL A 1 8   ? -15.88810 -28.40424 -18.94265 1.000 47.73713  ? 318 VAL A CA  1 
ATOM   51   C C   . VAL A 1 8   ? -15.71140 -26.94190 -18.53460 1.000 39.71927  ? 318 VAL A C   1 
ATOM   52   O O   . VAL A 1 8   ? -16.69244 -26.24360 -18.26344 1.000 40.69021  ? 318 VAL A O   1 
ATOM   53   C CB  . VAL A 1 8   ? -16.75344 -28.51500 -20.21298 1.000 39.05094  ? 318 VAL A CB  1 
ATOM   54   C CG1 . VAL A 1 8   ? -16.13705 -27.71564 -21.38955 1.000 24.49801  ? 318 VAL A CG1 1 
ATOM   55   C CG2 . VAL A 1 8   ? -16.96321 -29.98014 -20.59681 1.000 39.67637  ? 318 VAL A CG2 1 
ATOM   56   N N   . ASN A 1 9   ? -14.46893 -26.45726 -18.55525 1.000 40.01881  ? 319 ASN A N   1 
ATOM   57   C CA  . ASN A 1 9   ? -14.16097 -25.08941 -18.15521 1.000 38.32852  ? 319 ASN A CA  1 
ATOM   58   C C   . ASN A 1 9   ? -13.75189 -24.17069 -19.29577 1.000 48.95173  ? 319 ASN A C   1 
ATOM   59   O O   . ASN A 1 9   ? -13.54175 -22.97428 -19.05392 1.000 50.91719  ? 319 ASN A O   1 
ATOM   60   C CB  . ASN A 1 9   ? -13.05132 -25.08427 -17.10445 1.000 57.73417  ? 319 ASN A CB  1 
ATOM   61   C CG  . ASN A 1 9   ? -13.58588 -25.22606 -15.70659 1.000 69.35457  ? 319 ASN A CG  1 
ATOM   62   O OD1 . ASN A 1 9   ? -14.28905 -26.19027 -15.38477 1.000 81.29770  ? 319 ASN A OD1 1 
ATOM   63   N ND2 . ASN A 1 9   ? -13.26310 -24.25870 -14.85957 1.000 80.28197  ? 319 ASN A ND2 1 
ATOM   64   N N   . ILE A 1 10  ? -13.62954 -24.67480 -20.52063 1.000 33.83500  ? 320 ILE A N   1 
ATOM   65   C CA  . ILE A 1 10  ? -13.16199 -23.87180 -21.64493 1.000 27.09243  ? 320 ILE A CA  1 
ATOM   66   C C   . ILE A 1 10  ? -14.33432 -23.54505 -22.56781 1.000 32.25536  ? 320 ILE A C   1 
ATOM   67   O O   . ILE A 1 10  ? -15.44044 -24.08533 -22.43317 1.000 25.74701  ? 320 ILE A O   1 
ATOM   68   C CB  . ILE A 1 10  ? -12.01875 -24.57153 -22.41045 1.000 25.13565  ? 320 ILE A CB  1 
ATOM   69   C CG1 . ILE A 1 10  ? -12.51876 -25.94929 -22.87020 1.000 26.61864  ? 320 ILE A CG1 1 
ATOM   70   C CG2 . ILE A 1 10  ? -10.74184 -24.64677 -21.53878 1.000 28.93860  ? 320 ILE A CG2 1 
ATOM   71   C CD1 . ILE A 1 10  ? -11.59035 -26.69523 -23.75894 1.000 25.85251  ? 320 ILE A CD1 1 
ATOM   72   N N   . CYS A 1 11  ? -14.09067 -22.61462 -23.49935 1.000 21.39198  ? 321 CYS A N   1 
ATOM   73   C CA  . CYS A 1 11  ? -15.10465 -22.15558 -24.44729 1.000 21.42878  ? 321 CYS A CA  1 
ATOM   74   C C   . CYS A 1 11  ? -15.96787 -23.30998 -24.92410 1.000 27.76997  ? 321 CYS A C   1 
ATOM   75   O O   . CYS A 1 11  ? -15.43884 -24.30882 -25.43660 1.000 28.77559  ? 321 CYS A O   1 
ATOM   76   C CB  . CYS A 1 11  ? -14.40795 -21.47656 -25.64924 1.000 18.56165  ? 321 CYS A CB  1 
ATOM   77   S SG  . CYS A 1 11  ? -15.51495 -20.82344 -26.94061 1.000 27.73457  ? 321 CYS A SG  1 
ATOM   78   N N   . CYS A 1 12  ? -17.29652 -23.18901 -24.74843 1.000 20.79184  ? 322 CYS A N   1 
ATOM   79   C CA  . CYS A 1 12  ? -18.22578 -24.22350 -25.20917 1.000 22.03987  ? 322 CYS A CA  1 
ATOM   80   C C   . CYS A 1 12  ? -19.63228 -23.65176 -25.43822 1.000 26.07407  ? 322 CYS A C   1 
ATOM   81   O O   . CYS A 1 12  ? -19.98683 -22.55474 -24.98863 1.000 21.99057  ? 322 CYS A O   1 
ATOM   82   C CB  . CYS A 1 12  ? -18.31628 -25.38894 -24.20466 1.000 19.04630  ? 322 CYS A CB  1 
ATOM   83   S SG  . CYS A 1 12  ? -18.57086 -24.87416 -22.45222 1.000 29.12865  ? 322 CYS A SG  1 
ATOM   84   N N   . LYS A 1 13  ? -20.46487 -24.46828 -26.08588 1.000 24.56747  ? 323 LYS A N   1 
ATOM   85   C CA  . LYS A 1 13  ? -21.82027 -24.09771 -26.44751 1.000 22.25395  ? 323 LYS A CA  1 
ATOM   86   C C   . LYS A 1 13  ? -22.81751 -24.50217 -25.36778 1.000 33.48370  ? 323 LYS A C   1 
ATOM   87   O O   . LYS A 1 13  ? -22.81135 -25.65271 -24.90558 1.000 26.00514  ? 323 LYS A O   1 
ATOM   88   C CB  . LYS A 1 13  ? -22.21261 -24.75809 -27.76575 1.000 19.81994  ? 323 LYS A CB  1 
ATOM   89   C CG  . LYS A 1 13  ? -23.56953 -24.27261 -28.22699 1.000 28.66747  ? 323 LYS A CG  1 
ATOM   90   C CD  . LYS A 1 13  ? -23.86246 -24.57287 -29.67549 1.000 31.36614  ? 323 LYS A CD  1 
ATOM   91   C CE  . LYS A 1 13  ? -24.34347 -25.98729 -29.89014 1.000 29.25714  ? 323 LYS A CE  1 
ATOM   92   N NZ  . LYS A 1 13  ? -25.21669 -26.03834 -31.11288 1.000 23.45577  ? 323 LYS A NZ  1 
ATOM   93   N N   . LYS A 1 14  ? -23.70054 -23.56656 -25.01039 1.000 27.74478  ? 324 LYS A N   1 
ATOM   94   C CA  . LYS A 1 14  ? -24.80035 -23.78021 -24.08156 1.000 25.58239  ? 324 LYS A CA  1 
ATOM   95   C C   . LYS A 1 14  ? -26.14247 -23.37962 -24.69399 1.000 22.69124  ? 324 LYS A C   1 
ATOM   96   O O   . LYS A 1 14  ? -26.24048 -22.53100 -25.58205 1.000 24.96342  ? 324 LYS A O   1 
ATOM   97   C CB  . LYS A 1 14  ? -24.59491 -22.98787 -22.78632 1.000 32.13790  ? 324 LYS A CB  1 
ATOM   98   C CG  . LYS A 1 14  ? -24.21391 -23.86930 -21.61491 1.000 52.19788  ? 324 LYS A CG  1 
ATOM   99   C CD  . LYS A 1 14  ? -23.07376 -23.28595 -20.82892 1.000 55.64138  ? 324 LYS A CD  1 
ATOM   100  C CE  . LYS A 1 14  ? -23.18951 -21.77879 -20.75723 1.000 59.84915  ? 324 LYS A CE  1 
ATOM   101  N NZ  . LYS A 1 14  ? -22.15631 -21.22315 -19.83458 1.000 78.03242  ? 324 LYS A NZ  1 
ATOM   102  N N   . GLN A 1 15  ? -27.20798 -23.96670 -24.18556 1.000 24.05693  ? 325 GLN A N   1 
ATOM   103  C CA  . GLN A 1 15  ? -28.52279 -23.65167 -24.70939 1.000 27.33731  ? 325 GLN A CA  1 
ATOM   104  C C   . GLN A 1 15  ? -29.01681 -22.32698 -24.13681 1.000 23.19763  ? 325 GLN A C   1 
ATOM   105  O O   . GLN A 1 15  ? -28.54312 -21.85887 -23.09332 1.000 28.95457  ? 325 GLN A O   1 
ATOM   106  C CB  . GLN A 1 15  ? -29.45759 -24.84942 -24.44885 1.000 32.10877  ? 325 GLN A CB  1 
ATOM   107  C CG  . GLN A 1 15  ? -30.30407 -24.85280 -23.23737 1.000 39.10313  ? 325 GLN A CG  1 
ATOM   108  C CD  . GLN A 1 15  ? -31.22373 -26.07940 -23.23056 1.000 42.21433  ? 325 GLN A CD  1 
ATOM   109  O OE1 . GLN A 1 15  ? -32.22460 -26.09616 -23.92373 1.000 24.08680  ? 325 GLN A OE1 1 
ATOM   110  N NE2 . GLN A 1 15  ? -30.87832 -27.10096 -22.45215 1.000 28.07848  ? 325 GLN A NE2 1 
ATOM   111  N N   . PHE A 1 16  ? -29.87126 -21.65474 -24.90650 1.000 28.51265  ? 326 PHE A N   1 
ATOM   112  C CA  . PHE A 1 16  ? -30.50291 -20.41578 -24.47361 1.000 24.55140  ? 326 PHE A CA  1 
ATOM   113  C C   . PHE A 1 16  ? -31.79316 -20.22303 -25.25370 1.000 27.10488  ? 326 PHE A C   1 
ATOM   114  O O   . PHE A 1 16  ? -31.75688 -20.00854 -26.47276 1.000 23.90774  ? 326 PHE A O   1 
ATOM   115  C CB  . PHE A 1 16  ? -29.60162 -19.21154 -24.66287 1.000 30.20426  ? 326 PHE A CB  1 
ATOM   116  C CG  . PHE A 1 16  ? -30.25574 -17.94946 -24.22181 1.000 46.80029  ? 326 PHE A CG  1 
ATOM   117  C CD1 . PHE A 1 16  ? -30.87804 -17.87748 -22.98374 1.000 49.63955  ? 326 PHE A CD1 1 
ATOM   118  C CD2 . PHE A 1 16  ? -30.36059 -16.87490 -25.08379 1.000 45.82867  ? 326 PHE A CD2 1 
ATOM   119  C CE1 . PHE A 1 16  ? -31.52316 -16.72235 -22.57832 1.000 52.59122  ? 326 PHE A CE1 1 
ATOM   120  C CE2 . PHE A 1 16  ? -31.01010 -15.72066 -24.69512 1.000 51.20610  ? 326 PHE A CE2 1 
ATOM   121  C CZ  . PHE A 1 16  ? -31.59222 -15.64348 -23.43764 1.000 49.61064  ? 326 PHE A CZ  1 
ATOM   122  N N   . PHE A 1 17  ? -32.92079 -20.27944 -24.55896 1.000 26.31917  ? 327 PHE A N   1 
ATOM   123  C CA  . PHE A 1 17  ? -34.21634 -20.13304 -25.18904 1.000 17.95559  ? 327 PHE A CA  1 
ATOM   124  C C   . PHE A 1 17  ? -34.59062 -18.66691 -25.20263 1.000 26.23736  ? 327 PHE A C   1 
ATOM   125  O O   . PHE A 1 17  ? -34.64399 -18.03838 -24.14013 1.000 26.35664  ? 327 PHE A O   1 
ATOM   126  C CB  . PHE A 1 17  ? -35.28685 -20.92961 -24.44500 1.000 25.13314  ? 327 PHE A CB  1 
ATOM   127  C CG  . PHE A 1 17  ? -36.66412 -20.75723 -25.00116 1.000 24.76368  ? 327 PHE A CG  1 
ATOM   128  C CD1 . PHE A 1 17  ? -37.02667 -21.34051 -26.19439 1.000 27.45423  ? 327 PHE A CD1 1 
ATOM   129  C CD2 . PHE A 1 17  ? -37.60257 -19.99429 -24.32384 1.000 23.75925  ? 327 PHE A CD2 1 
ATOM   130  C CE1 . PHE A 1 17  ? -38.29545 -21.17577 -26.69083 1.000 24.48110  ? 327 PHE A CE1 1 
ATOM   131  C CE2 . PHE A 1 17  ? -38.90155 -19.81619 -24.80970 1.000 24.34897  ? 327 PHE A CE2 1 
ATOM   132  C CZ  . PHE A 1 17  ? -39.25443 -20.42140 -26.00155 1.000 24.41235  ? 327 PHE A CZ  1 
ATOM   133  N N   . VAL A 1 18  ? -34.83234 -18.11643 -26.39587 1.000 22.43791  ? 328 VAL A N   1 
ATOM   134  C CA  . VAL A 1 18  ? -35.26471 -16.72446 -26.55003 1.000 20.53339  ? 328 VAL A CA  1 
ATOM   135  C C   . VAL A 1 18  ? -36.79401 -16.71488 -26.61406 1.000 27.56030  ? 328 VAL A C   1 
ATOM   136  O O   . VAL A 1 18  ? -37.39869 -17.33817 -27.50100 1.000 26.43562  ? 328 VAL A O   1 
ATOM   137  C CB  . VAL A 1 18  ? -34.66778 -16.07846 -27.81942 1.000 22.03037  ? 328 VAL A CB  1 
ATOM   138  C CG1 . VAL A 1 18  ? -35.28066 -14.69867 -28.05774 1.000 25.91178  ? 328 VAL A CG1 1 
ATOM   139  C CG2 . VAL A 1 18  ? -33.14949 -15.99835 -27.78249 1.000 27.82796  ? 328 VAL A CG2 1 
ATOM   140  N N   . SER A 1 19  ? -37.43759 -16.01814 -25.68739 1.000 21.88434  ? 329 SER A N   1 
ATOM   141  C CA  . SER A 1 19  ? -38.86943 -15.76672 -25.74901 1.000 26.71871  ? 329 SER A CA  1 
ATOM   142  C C   . SER A 1 19  ? -39.07602 -14.32119 -26.17156 1.000 26.16835  ? 329 SER A C   1 
ATOM   143  O O   . SER A 1 19  ? -38.60323 -13.40315 -25.49154 1.000 34.04505  ? 329 SER A O   1 
ATOM   144  C CB  . SER A 1 19  ? -39.52587 -16.02779 -24.39658 1.000 23.51097  ? 329 SER A CB  1 
ATOM   145  O OG  . SER A 1 19  ? -40.79124 -15.40859 -24.35265 1.000 34.64418  ? 329 SER A OG  1 
ATOM   146  N N   . PHE A 1 20  ? -39.75441 -14.10646 -27.30113 1.000 30.16099  ? 330 PHE A N   1 
ATOM   147  C CA  . PHE A 1 20  ? -39.91052 -12.72691 -27.75999 1.000 34.23246  ? 330 PHE A CA  1 
ATOM   148  C C   . PHE A 1 20  ? -40.86152 -11.94740 -26.86786 1.000 32.45885  ? 330 PHE A C   1 
ATOM   149  O O   . PHE A 1 20  ? -40.72732 -10.72851 -26.75042 1.000 45.52485  ? 330 PHE A O   1 
ATOM   150  C CB  . PHE A 1 20  ? -40.37586 -12.67775 -29.21754 1.000 31.12765  ? 330 PHE A CB  1 
ATOM   151  C CG  . PHE A 1 20  ? -39.32848 -13.15641 -30.19001 1.000 30.69130  ? 330 PHE A CG  1 
ATOM   152  C CD1 . PHE A 1 20  ? -38.06283 -12.57002 -30.22066 1.000 27.77069  ? 330 PHE A CD1 1 
ATOM   153  C CD2 . PHE A 1 20  ? -39.59552 -14.21977 -31.04256 1.000 30.57087  ? 330 PHE A CD2 1 
ATOM   154  C CE1 . PHE A 1 20  ? -37.08337 -13.02995 -31.10092 1.000 32.00945  ? 330 PHE A CE1 1 
ATOM   155  C CE2 . PHE A 1 20  ? -38.61567 -14.69538 -31.92500 1.000 26.40312  ? 330 PHE A CE2 1 
ATOM   156  C CZ  . PHE A 1 20  ? -37.34997 -14.08771 -31.94839 1.000 24.60842  ? 330 PHE A CZ  1 
ATOM   157  N N   . LYS A 1 21  ? -41.80325 -12.62042 -26.20900 1.000 41.10234  ? 331 LYS A N   1 
ATOM   158  C CA  . LYS A 1 21  ? -42.61447 -11.92152 -25.21849 1.000 51.67580  ? 331 LYS A CA  1 
ATOM   159  C C   . LYS A 1 21  ? -41.72564 -11.28780 -24.15604 1.000 54.35521  ? 331 LYS A C   1 
ATOM   160  O O   . LYS A 1 21  ? -41.85948 -10.09829 -23.85408 1.000 55.40965  ? 331 LYS A O   1 
ATOM   161  C CB  . LYS A 1 21  ? -43.63537 -12.87351 -24.59136 1.000 40.02671  ? 331 LYS A CB  1 
ATOM   162  C CG  . LYS A 1 21  ? -44.67141 -12.16819 -23.74089 1.000 54.70536  ? 331 LYS A CG  1 
ATOM   163  C CD  . LYS A 1 21  ? -45.52838 -13.12839 -22.92150 1.000 57.37837  ? 331 LYS A CD  1 
ATOM   164  C CE  . LYS A 1 21  ? -46.16611 -14.21176 -23.77754 1.000 65.22363  ? 331 LYS A CE  1 
ATOM   165  N NZ  . LYS A 1 21  ? -47.57438 -13.87344 -24.15619 1.000 62.31281  ? 331 LYS A NZ  1 
ATOM   166  N N   . ASP A 1 22  ? -40.77672 -12.05829 -23.61134 1.000 52.44832  ? 332 ASP A N   1 
ATOM   167  C CA  . ASP A 1 22  ? -39.87714 -11.54029 -22.58200 1.000 50.10496  ? 332 ASP A CA  1 
ATOM   168  C C   . ASP A 1 22  ? -39.27662 -10.20161 -22.97316 1.000 47.62944  ? 332 ASP A C   1 
ATOM   169  O O   . ASP A 1 22  ? -39.42021 -9.20829  -22.25540 1.000 83.16013  ? 332 ASP A O   1 
ATOM   170  C CB  . ASP A 1 22  ? -38.75277 -12.53578 -22.28524 1.000 62.72079  ? 332 ASP A CB  1 
ATOM   171  C CG  . ASP A 1 22  ? -39.24096 -13.76691 -21.57391 1.000 70.78405  ? 332 ASP A CG  1 
ATOM   172  O OD1 . ASP A 1 22  ? -40.47574 -13.91368 -21.41814 1.000 70.41677  ? 332 ASP A OD1 1 
ATOM   173  O OD2 . ASP A 1 22  ? -38.38538 -14.58082 -21.16186 1.000 77.41578  ? 332 ASP A OD2 1 
ATOM   174  N N   . ILE A 1 23  ? -38.57134 -10.16116 -24.09666 1.000 54.85839  ? 333 ILE A N   1 
ATOM   175  C CA  . ILE A 1 23  ? -37.82011 -8.96871  -24.47081 1.000 38.52701  ? 333 ILE A CA  1 
ATOM   176  C C   . ILE A 1 23  ? -38.70806 -7.97318  -25.22198 1.000 52.99580  ? 333 ILE A C   1 
ATOM   177  O O   . ILE A 1 23  ? -38.22261 -6.97529  -25.77065 1.000 54.10841  ? 333 ILE A O   1 
ATOM   178  C CB  . ILE A 1 23  ? -36.56129 -9.38131  -25.25437 1.000 57.91844  ? 333 ILE A CB  1 
ATOM   179  C CG1 . ILE A 1 23  ? -36.90406 -9.84243  -26.67038 1.000 50.96973  ? 333 ILE A CG1 1 
ATOM   180  C CG2 . ILE A 1 23  ? -35.79137 -10.45094 -24.49653 1.000 60.74007  ? 333 ILE A CG2 1 
ATOM   181  C CD1 . ILE A 1 23  ? -35.89376 -9.41994  -27.68078 1.000 51.33047  ? 333 ILE A CD1 1 
ATOM   182  N N   . GLY A 1 24  ? -40.02084 -8.21546  -25.21223 1.000 44.72604  ? 334 GLY A N   1 
ATOM   183  C CA  . GLY A 1 24  ? -41.00546 -7.27073  -25.71776 1.000 45.61180  ? 334 GLY A CA  1 
ATOM   184  C C   . GLY A 1 24  ? -41.19941 -7.21529  -27.22152 1.000 52.34770  ? 334 GLY A C   1 
ATOM   185  O O   . GLY A 1 24  ? -41.87611 -6.30324  -27.70286 1.000 53.15399  ? 334 GLY A O   1 
ATOM   186  N N   . TRP A 1 25  ? -40.64607 -8.15403  -27.98199 1.000 43.82759  ? 335 TRP A N   1 
ATOM   187  C CA  . TRP A 1 25  ? -40.74242 -8.12308  -29.43907 1.000 38.45441  ? 335 TRP A CA  1 
ATOM   188  C C   . TRP A 1 25  ? -41.93969 -8.89581  -29.99107 1.000 36.06345  ? 335 TRP A C   1 
ATOM   189  O O   . TRP A 1 25  ? -42.08623 -8.98412  -31.21623 1.000 40.38123  ? 335 TRP A O   1 
ATOM   190  C CB  . TRP A 1 25  ? -39.45728 -8.68113  -30.05367 1.000 39.72537  ? 335 TRP A CB  1 
ATOM   191  C CG  . TRP A 1 25  ? -38.25903 -7.85113  -29.77385 1.000 53.49427  ? 335 TRP A CG  1 
ATOM   192  C CD1 . TRP A 1 25  ? -38.20210 -6.72231  -29.00240 1.000 49.13442  ? 335 TRP A CD1 1 
ATOM   193  C CD2 . TRP A 1 25  ? -36.93065 -8.07862  -30.25429 1.000 51.82673  ? 335 TRP A CD2 1 
ATOM   194  N NE1 . TRP A 1 25  ? -36.92122 -6.23468  -28.97666 1.000 53.08743  ? 335 TRP A NE1 1 
ATOM   195  C CE2 . TRP A 1 25  ? -36.11676 -7.05013  -29.73071 1.000 43.40265  ? 335 TRP A CE2 1 
ATOM   196  C CE3 . TRP A 1 25  ? -36.34594 -9.05897  -31.06395 1.000 50.62294  ? 335 TRP A CE3 1 
ATOM   197  C CZ2 . TRP A 1 25  ? -34.75004 -6.97125  -29.99291 1.000 43.98002  ? 335 TRP A CZ2 1 
ATOM   198  C CZ3 . TRP A 1 25  ? -34.98322 -8.97755  -31.32603 1.000 51.78137  ? 335 TRP A CZ3 1 
ATOM   199  C CH2 . TRP A 1 25  ? -34.20444 -7.94129  -30.79383 1.000 58.85497  ? 335 TRP A CH2 1 
ATOM   200  N N   . ASN A 1 26  ? -42.78582 -9.47008  -29.13668 1.000 40.64018  ? 336 ASN A N   1 
ATOM   201  C CA  . ASN A 1 26  ? -43.96946 -10.16569 -29.63050 1.000 40.71141  ? 336 ASN A CA  1 
ATOM   202  C C   . ASN A 1 26  ? -44.99284 -9.20310  -30.20099 1.000 35.81371  ? 336 ASN A C   1 
ATOM   203  O O   . ASN A 1 26  ? -46.02349 -9.65095  -30.70544 1.000 47.06363  ? 336 ASN A O   1 
ATOM   204  C CB  . ASN A 1 26  ? -44.60899 -10.99789 -28.50753 1.000 40.24566  ? 336 ASN A CB  1 
ATOM   205  C CG  . ASN A 1 26  ? -45.07022 -10.13844 -27.34669 1.000 46.85188  ? 336 ASN A CG  1 
ATOM   206  O OD1 . ASN A 1 26  ? -44.32046 -9.29234  -26.84387 1.000 45.01102  ? 336 ASN A OD1 1 
ATOM   207  N ND2 . ASN A 1 26  ? -46.30485 -10.34640 -26.91472 1.000 47.87049  ? 336 ASN A ND2 1 
ATOM   208  N N   . ASP A 1 27  ? -44.74264 -7.89038  -30.09411 1.000 46.35893  ? 337 ASP A N   1 
ATOM   209  C CA  . ASP A 1 27  ? -45.58529 -6.86400  -30.69429 1.000 54.75516  ? 337 ASP A CA  1 
ATOM   210  C C   . ASP A 1 27  ? -45.39179 -6.75263  -32.19624 1.000 42.73582  ? 337 ASP A C   1 
ATOM   211  O O   . ASP A 1 27  ? -46.29023 -6.27354  -32.89162 1.000 48.54544  ? 337 ASP A O   1 
ATOM   212  C CB  . ASP A 1 27  ? -45.29464 -5.50136  -30.05888 1.000 56.82164  ? 337 ASP A CB  1 
ATOM   213  C CG  . ASP A 1 27  ? -45.88866 -5.35842  -28.67147 1.000 69.47746  ? 337 ASP A CG  1 
ATOM   214  O OD1 . ASP A 1 27  ? -46.97653 -5.93332  -28.41754 1.000 55.63981  ? 337 ASP A OD1 1 
ATOM   215  O OD2 . ASP A 1 27  ? -45.24514 -4.69617  -27.82500 1.000 94.19946  ? 337 ASP A OD2 1 
ATOM   216  N N   . TRP A 1 28  ? -44.23858 -7.14079  -32.71334 1.000 36.00781  ? 338 TRP A N   1 
ATOM   217  C CA  . TRP A 1 28  ? -44.03682 -7.09410  -34.14283 1.000 41.88952  ? 338 TRP A CA  1 
ATOM   218  C C   . TRP A 1 28  ? -43.62569 -8.43041  -34.75882 1.000 34.53833  ? 338 TRP A C   1 
ATOM   219  O O   . TRP A 1 28  ? -43.69091 -8.54793  -35.98961 1.000 39.11464  ? 338 TRP A O   1 
ATOM   220  C CB  . TRP A 1 28  ? -43.01915 -5.99026  -34.50380 1.000 33.26453  ? 338 TRP A CB  1 
ATOM   221  C CG  . TRP A 1 28  ? -41.65894 -6.15159  -33.86187 1.000 41.51407  ? 338 TRP A CG  1 
ATOM   222  C CD1 . TRP A 1 28  ? -41.33024 -5.88777  -32.55277 1.000 51.04395  ? 338 TRP A CD1 1 
ATOM   223  C CD2 . TRP A 1 28  ? -40.45354 -6.62085  -34.48822 1.000 43.63577  ? 338 TRP A CD2 1 
ATOM   224  N NE1 . TRP A 1 28  ? -39.99791 -6.17077  -32.32785 1.000 46.27142  ? 338 TRP A NE1 1 
ATOM   225  C CE2 . TRP A 1 28  ? -39.43639 -6.62736  -33.49389 1.000 47.94393  ? 338 TRP A CE2 1 
ATOM   226  C CE3 . TRP A 1 28  ? -40.13616 -7.05770  -35.78079 1.000 40.67694  ? 338 TRP A CE3 1 
ATOM   227  C CZ2 . TRP A 1 28  ? -38.12780 -7.03932  -33.75982 1.000 43.19696  ? 338 TRP A CZ2 1 
ATOM   228  C CZ3 . TRP A 1 28  ? -38.82571 -7.46826  -36.04590 1.000 42.18662  ? 338 TRP A CZ3 1 
ATOM   229  C CH2 . TRP A 1 28  ? -37.83694 -7.45291  -35.03684 1.000 49.76244  ? 338 TRP A CH2 1 
ATOM   230  N N   . ILE A 1 29  ? -43.24190 -9.44777  -33.96931 1.000 30.64849  ? 339 ILE A N   1 
ATOM   231  C CA  . ILE A 1 29  ? -42.92523 -10.77962 -34.50987 1.000 30.60836  ? 339 ILE A CA  1 
ATOM   232  C C   . ILE A 1 29  ? -44.11191 -11.71753 -34.30525 1.000 36.20607  ? 339 ILE A C   1 
ATOM   233  O O   . ILE A 1 29  ? -44.54435 -11.95190 -33.16912 1.000 38.96049  ? 339 ILE A O   1 
ATOM   234  C CB  . ILE A 1 29  ? -41.65993 -11.38840 -33.88820 1.000 34.87966  ? 339 ILE A CB  1 
ATOM   235  C CG1 . ILE A 1 29  ? -40.43481 -10.52039 -34.13731 1.000 34.70038  ? 339 ILE A CG1 1 
ATOM   236  C CG2 . ILE A 1 29  ? -41.39972 -12.77717 -34.44938 1.000 30.93672  ? 339 ILE A CG2 1 
ATOM   237  C CD1 . ILE A 1 29  ? -39.32348 -10.77454 -33.15483 1.000 35.95365  ? 339 ILE A CD1 1 
ATOM   238  N N   . ILE A 1 30  ? -44.61768 -12.28879 -35.39945 1.000 35.34685  ? 340 ILE A N   1 
ATOM   239  C CA  . ILE A 1 30  ? -45.79178 -13.15893 -35.32403 1.000 31.74730  ? 340 ILE A CA  1 
ATOM   240  C C   . ILE A 1 30  ? -45.41708 -14.58847 -34.95216 1.000 27.99631  ? 340 ILE A C   1 
ATOM   241  O O   . ILE A 1 30  ? -46.03934 -15.17162 -34.05541 1.000 37.39144  ? 340 ILE A O   1 
ATOM   242  C CB  . ILE A 1 30  ? -46.59014 -13.08747 -36.64697 1.000 31.43092  ? 340 ILE A CB  1 
ATOM   243  C CG1 . ILE A 1 30  ? -47.10061 -11.67240 -36.88321 1.000 38.12771  ? 340 ILE A CG1 1 
ATOM   244  C CG2 . ILE A 1 30  ? -47.75673 -14.06260 -36.63733 1.000 39.43534  ? 340 ILE A CG2 1 
ATOM   245  C CD1 . ILE A 1 30  ? -47.45520 -11.33704 -38.34533 1.000 37.78944  ? 340 ILE A CD1 1 
ATOM   246  N N   . ALA A 1 31  ? -44.35839 -15.15484 -35.57453 1.000 27.45575  ? 341 ALA A N   1 
ATOM   247  C CA  . ALA A 1 31  ? -43.91517 -16.53567 -35.41694 1.000 33.02386  ? 341 ALA A CA  1 
ATOM   248  C C   . ALA A 1 31  ? -42.45069 -16.67099 -35.81314 1.000 30.42919  ? 341 ALA A C   1 
ATOM   249  O O   . ALA A 1 31  ? -41.99683 -15.95477 -36.71829 1.000 30.79840  ? 341 ALA A O   1 
ATOM   250  C CB  . ALA A 1 31  ? -44.77459 -17.48163 -36.26357 1.000 27.69024  ? 341 ALA A CB  1 
ATOM   251  N N   . PRO A 1 32  ? -41.67453 -17.52389 -35.15071 1.000 32.35280  ? 342 PRO A N   1 
ATOM   252  C CA  . PRO A 1 32  ? -42.00667 -18.32352 -33.96063 1.000 31.90486  ? 342 PRO A CA  1 
ATOM   253  C C   . PRO A 1 32  ? -42.18751 -17.39745 -32.75754 1.000 38.57486  ? 342 PRO A C   1 
ATOM   254  O O   . PRO A 1 32  ? -41.70084 -16.27244 -32.80493 1.000 32.95165  ? 342 PRO A O   1 
ATOM   255  C CB  . PRO A 1 32  ? -40.80046 -19.25778 -33.84618 1.000 27.27268  ? 342 PRO A CB  1 
ATOM   256  C CG  . PRO A 1 32  ? -39.63551 -18.40241 -34.37182 1.000 24.73509  ? 342 PRO A CG  1 
ATOM   257  C CD  . PRO A 1 32  ? -40.27383 -17.71857 -35.56478 1.000 28.10320  ? 342 PRO A CD  1 
ATOM   258  N N   . SER A 1 33  ? -42.88786 -17.77195 -31.68240 1.000 29.00272  ? 343 SER A N   1 
ATOM   259  C CA  . SER A 1 33  ? -42.96079 -16.88484 -30.52931 1.000 31.73476  ? 343 SER A CA  1 
ATOM   260  C C   . SER A 1 33  ? -41.73924 -16.99927 -29.62477 1.000 26.66612  ? 343 SER A C   1 
ATOM   261  O O   . SER A 1 33  ? -41.57825 -16.15924 -28.72943 1.000 27.62892  ? 343 SER A O   1 
ATOM   262  C CB  . SER A 1 33  ? -44.21420 -17.17284 -29.70859 1.000 29.87387  ? 343 SER A CB  1 
ATOM   263  O OG  . SER A 1 33  ? -44.50474 -18.55587 -29.71698 1.000 41.04997  ? 343 SER A OG  1 
ATOM   264  N N   . GLY A 1 34  ? -40.91415 -18.01557 -29.83408 1.000 21.45927  ? 344 GLY A N   1 
ATOM   265  C CA  . GLY A 1 34  ? -39.64653 -18.22482 -29.13073 1.000 21.41062  ? 344 GLY A CA  1 
ATOM   266  C C   . GLY A 1 34  ? -38.83675 -19.25937 -29.88200 1.000 29.78807  ? 344 GLY A C   1 
ATOM   267  O O   . GLY A 1 34  ? -39.36336 -19.93402 -30.77577 1.000 23.26577  ? 344 GLY A O   1 
ATOM   268  N N   . TYR A 1 35  ? -37.54980 -19.38506 -29.52134 1.000 22.01621  ? 345 TYR A N   1 
ATOM   269  C CA  . TYR A 1 35  ? -36.67235 -20.32302 -30.23133 1.000 23.58989  ? 345 TYR A CA  1 
ATOM   270  C C   . TYR A 1 35  ? -35.36228 -20.57967 -29.48702 1.000 19.47935  ? 345 TYR A C   1 
ATOM   271  O O   . TYR A 1 35  ? -34.93848 -19.78738 -28.63973 1.000 25.34546  ? 345 TYR A O   1 
ATOM   272  C CB  . TYR A 1 35  ? -36.37956 -19.82262 -31.65123 1.000 28.30244  ? 345 TYR A CB  1 
ATOM   273  C CG  . TYR A 1 35  ? -35.30247 -18.75217 -31.77238 1.000 20.13481  ? 345 TYR A CG  1 
ATOM   274  C CD1 . TYR A 1 35  ? -35.56693 -17.43110 -31.44254 1.000 25.40054  ? 345 TYR A CD1 1 
ATOM   275  C CD2 . TYR A 1 35  ? -34.01631 -19.05611 -32.26669 1.000 17.09362  ? 345 TYR A CD2 1 
ATOM   276  C CE1 . TYR A 1 35  ? -34.58570 -16.44440 -31.58153 1.000 23.60900  ? 345 TYR A CE1 1 
ATOM   277  C CE2 . TYR A 1 35  ? -33.02971 -18.06065 -32.38928 1.000 23.70537  ? 345 TYR A CE2 1 
ATOM   278  C CZ  . TYR A 1 35  ? -33.32644 -16.77562 -32.05208 1.000 23.52926  ? 345 TYR A CZ  1 
ATOM   279  O OH  . TYR A 1 35  ? -32.37040 -15.80597 -32.18266 1.000 30.51759  ? 345 TYR A OH  1 
ATOM   280  N N   . HIS A 1 36  ? -34.72700 -21.72100 -29.80270 1.000 16.39123  ? 346 HIS A N   1 
ATOM   281  C CA  . HIS A 1 36  ? -33.43353 -22.09660 -29.21842 1.000 22.09649  ? 346 HIS A CA  1 
ATOM   282  C C   . HIS A 1 36  ? -32.29321 -21.37416 -29.95430 1.000 18.79536  ? 346 HIS A C   1 
ATOM   283  O O   . HIS A 1 36  ? -31.81451 -21.83894 -30.98932 1.000 21.99423  ? 346 HIS A O   1 
ATOM   284  C CB  . HIS A 1 36  ? -33.22183 -23.61433 -29.27653 1.000 16.76657  ? 346 HIS A CB  1 
ATOM   285  C CG  . HIS A 1 36  ? -34.25634 -24.42590 -28.55363 1.000 22.30424  ? 346 HIS A CG  1 
ATOM   286  N ND1 . HIS A 1 36  ? -34.54257 -24.25181 -27.21147 1.000 21.54589  ? 346 HIS A ND1 1 
ATOM   287  C CD2 . HIS A 1 36  ? -35.06281 -25.43148 -28.98332 1.000 21.20582  ? 346 HIS A CD2 1 
ATOM   288  C CE1 . HIS A 1 36  ? -35.50963 -25.08837 -26.85982 1.000 27.00708  ? 346 HIS A CE1 1 
ATOM   289  N NE2 . HIS A 1 36  ? -35.85012 -25.81003 -27.91622 1.000 20.24251  ? 346 HIS A NE2 1 
ATOM   290  N N   . ALA A 1 37  ? -31.78746 -20.26986 -29.39374 1.000 25.05190  ? 347 ALA A N   1 
ATOM   291  C CA  . ALA A 1 37  ? -30.67240 -19.54761 -30.01395 1.000 22.41085  ? 347 ALA A CA  1 
ATOM   292  C C   . ALA A 1 37  ? -29.29562 -20.02727 -29.57364 1.000 23.03392  ? 347 ALA A C   1 
ATOM   293  O O   . ALA A 1 37  ? -28.33951 -19.98130 -30.36693 1.000 30.48145  ? 347 ALA A O   1 
ATOM   294  C CB  . ALA A 1 37  ? -30.79381 -18.06414 -29.70194 1.000 18.47274  ? 347 ALA A CB  1 
ATOM   295  N N   . ASN A 1 38  ? -29.14901 -20.46499 -28.32631 1.000 24.92969  ? 348 ASN A N   1 
ATOM   296  C CA  . ASN A 1 38  ? -27.86260 -20.92803 -27.80656 1.000 20.33557  ? 348 ASN A CA  1 
ATOM   297  C C   . ASN A 1 38  ? -26.88823 -19.76685 -27.58383 1.000 20.12064  ? 348 ASN A C   1 
ATOM   298  O O   . ASN A 1 38  ? -27.15433 -18.63501 -28.01755 1.000 22.17314  ? 348 ASN A O   1 
ATOM   299  C CB  . ASN A 1 38  ? -27.21628 -21.96730 -28.73301 1.000 22.61028  ? 348 ASN A CB  1 
ATOM   300  C CG  . ASN A 1 38  ? -28.13716 -23.15127 -29.02649 1.000 32.27341  ? 348 ASN A CG  1 
ATOM   301  O OD1 . ASN A 1 38  ? -28.68442 -23.76058 -28.11501 1.000 36.33209  ? 348 ASN A OD1 1 
ATOM   302  N ND2 . ASN A 1 38  ? -28.22414 -23.54281 -30.29127 1.000 22.36345  ? 348 ASN A ND2 1 
ATOM   303  N N   . TYR A 1 39  ? -25.75423 -20.02051 -26.91117 1.000 26.05024  ? 349 TYR A N   1 
ATOM   304  C CA  . TYR A 1 39  ? -24.70536 -19.00311 -26.79412 1.000 24.31215  ? 349 TYR A CA  1 
ATOM   305  C C   . TYR A 1 39  ? -23.38076 -19.68632 -26.46311 1.000 20.23452  ? 349 TYR A C   1 
ATOM   306  O O   . TYR A 1 39  ? -23.31929 -20.90285 -26.28106 1.000 21.79491  ? 349 TYR A O   1 
ATOM   307  C CB  . TYR A 1 39  ? -25.06854 -17.91429 -25.76220 1.000 23.04303  ? 349 TYR A CB  1 
ATOM   308  C CG  . TYR A 1 39  ? -24.99393 -18.30377 -24.29427 1.000 30.21607  ? 349 TYR A CG  1 
ATOM   309  C CD1 . TYR A 1 39  ? -25.95865 -19.12170 -23.71269 1.000 42.93278  ? 349 TYR A CD1 1 
ATOM   310  C CD2 . TYR A 1 39  ? -23.98991 -17.79900 -23.47329 1.000 32.54432  ? 349 TYR A CD2 1 
ATOM   311  C CE1 . TYR A 1 39  ? -25.90852 -19.45080 -22.36303 1.000 34.59411  ? 349 TYR A CE1 1 
ATOM   312  C CE2 . TYR A 1 39  ? -23.92985 -18.12816 -22.12635 1.000 28.81722  ? 349 TYR A CE2 1 
ATOM   313  C CZ  . TYR A 1 39  ? -24.89939 -18.94827 -21.57420 1.000 46.37485  ? 349 TYR A CZ  1 
ATOM   314  O OH  . TYR A 1 39  ? -24.86317 -19.26856 -20.22969 1.000 46.59315  ? 349 TYR A OH  1 
ATOM   315  N N   . CYS A 1 40  ? -22.31252 -18.90132 -26.42473 1.000 25.44303  ? 350 CYS A N   1 
ATOM   316  C CA  . CYS A 1 40  ? -20.96401 -19.40328 -26.16323 1.000 24.75159  ? 350 CYS A CA  1 
ATOM   317  C C   . CYS A 1 40  ? -20.41144 -18.81981 -24.86935 1.000 29.79508  ? 350 CYS A C   1 
ATOM   318  O O   . CYS A 1 40  ? -20.54915 -17.61494 -24.61007 1.000 26.68495  ? 350 CYS A O   1 
ATOM   319  C CB  . CYS A 1 40  ? -20.05036 -19.05071 -27.31387 1.000 26.77244  ? 350 CYS A CB  1 
ATOM   320  S SG  . CYS A 1 40  ? -20.67078 -19.65943 -28.88273 1.000 24.20669  ? 350 CYS A SG  1 
ATOM   321  N N   . GLU A 1 41  ? -19.78080 -19.66308 -24.05664 1.000 30.18616  ? 351 GLU A N   1 
ATOM   322  C CA  . GLU A 1 41  ? -19.16930 -19.15643 -22.83411 1.000 30.50517  ? 351 GLU A CA  1 
ATOM   323  C C   . GLU A 1 41  ? -17.99847 -20.04009 -22.41159 1.000 25.74323  ? 351 GLU A C   1 
ATOM   324  O O   . GLU A 1 41  ? -18.05060 -21.26510 -22.56436 1.000 30.57314  ? 351 GLU A O   1 
ATOM   325  C CB  . GLU A 1 41  ? -20.20821 -19.08212 -21.71488 1.000 34.32662  ? 351 GLU A CB  1 
ATOM   326  C CG  . GLU A 1 41  ? -19.58545 -18.73849 -20.38541 1.000 44.30548  ? 351 GLU A CG  1 
ATOM   327  C CD  . GLU A 1 41  ? -20.57109 -18.14599 -19.42314 1.000 62.09220  ? 351 GLU A CD  1 
ATOM   328  O OE1 . GLU A 1 41  ? -21.60363 -18.79805 -19.16345 1.000 53.45363  ? 351 GLU A OE1 1 
ATOM   329  O OE2 . GLU A 1 41  ? -20.31561 -17.02388 -18.93475 1.000 86.37061  ? 351 GLU A OE2 1 
ATOM   330  N N   . GLY A 1 42  ? -16.94017 -19.41913 -21.87296 1.000 27.32363  ? 352 GLY A N   1 
ATOM   331  C CA  . GLY A 1 42  ? -15.80195 -20.17229 -21.37301 1.000 25.80153  ? 352 GLY A CA  1 
ATOM   332  C C   . GLY A 1 42  ? -14.43167 -19.62952 -21.71749 1.000 25.41094  ? 352 GLY A C   1 
ATOM   333  O O   . GLY A 1 42  ? -14.28379 -18.77674 -22.59933 1.000 30.52412  ? 352 GLY A O   1 
ATOM   334  N N   . GLU A 1 43  ? -13.40384 -20.12987 -21.03398 1.000 30.59216  ? 353 GLU A N   1 
ATOM   335  C CA  . GLU A 1 43  ? -12.05943 -19.59970 -21.16134 1.000 31.21028  ? 353 GLU A CA  1 
ATOM   336  C C   . GLU A 1 43  ? -11.44102 -19.96247 -22.49499 1.000 31.00907  ? 353 GLU A C   1 
ATOM   337  O O   . GLU A 1 43  ? -11.73665 -21.00015 -23.09037 1.000 34.60979  ? 353 GLU A O   1 
ATOM   338  C CB  . GLU A 1 43  ? -11.16200 -20.13966 -20.05051 1.000 43.46199  ? 353 GLU A CB  1 
ATOM   339  C CG  . GLU A 1 43  ? -11.82038 -20.18097 -18.69586 1.000 52.89311  ? 353 GLU A CG  1 
ATOM   340  C CD  . GLU A 1 43  ? -11.60862 -18.87615 -17.93948 1.000 90.52679  ? 353 GLU A CD  1 
ATOM   341  O OE1 . GLU A 1 43  ? -12.43285 -17.95158 -18.10794 1.000 87.88784  ? 353 GLU A OE1 1 
ATOM   342  O OE2 . GLU A 1 43  ? -10.61867 -18.77734 -17.17243 1.000 92.85552  ? 353 GLU A OE2 1 
ATOM   343  N N   . CYS A 1 44  ? -10.53407 -19.11726 -22.93413 1.000 28.52728  ? 354 CYS A N   1 
ATOM   344  C CA  . CYS A 1 44  ? -9.81026  -19.31374 -24.18867 1.000 28.51698  ? 354 CYS A CA  1 
ATOM   345  C C   . CYS A 1 44  ? -8.30184  -19.25035 -23.94483 1.000 29.93650  ? 354 CYS A C   1 
ATOM   346  O O   . CYS A 1 44  ? -7.61323  -18.35023 -24.42810 1.000 24.95064  ? 354 CYS A O   1 
ATOM   347  C CB  . CYS A 1 44  ? -10.26678 -18.25833 -25.19383 1.000 33.31647  ? 354 CYS A CB  1 
ATOM   348  S SG  . CYS A 1 44  ? -11.83691 -18.68176 -25.98346 1.000 29.79931  ? 354 CYS A SG  1 
ATOM   349  N N   . PRO A 1 45  ? -7.74148  -20.19633 -23.18858 1.000 31.30567  ? 355 PRO A N   1 
ATOM   350  C CA  . PRO A 1 45  ? -6.29462  -20.15289 -22.93481 1.000 22.78166  ? 355 PRO A CA  1 
ATOM   351  C C   . PRO A 1 45  ? -5.51503  -20.27682 -24.23607 1.000 20.95299  ? 355 PRO A C   1 
ATOM   352  O O   . PRO A 1 45  ? -6.07142  -20.58156 -25.30172 1.000 23.41741  ? 355 PRO A O   1 
ATOM   353  C CB  . PRO A 1 45  ? -6.05656  -21.33531 -21.98546 1.000 23.34286  ? 355 PRO A CB  1 
ATOM   354  C CG  . PRO A 1 45  ? -7.23070  -22.25152 -22.17925 1.000 29.50692  ? 355 PRO A CG  1 
ATOM   355  C CD  . PRO A 1 45  ? -8.39891  -21.32344 -22.49808 1.000 26.95925  ? 355 PRO A CD  1 
ATOM   356  N N   . SER A 1 46  ? -4.20845  -20.01809 -24.14752 1.000 29.99608  ? 356 SER A N   1 
ATOM   357  C CA  . SER A 1 46  ? -3.40980  -19.80304 -25.34826 1.000 17.05062  ? 356 SER A CA  1 
ATOM   358  C C   . SER A 1 46  ? -3.33062  -21.05702 -26.21311 1.000 22.56849  ? 356 SER A C   1 
ATOM   359  O O   . SER A 1 46  ? -3.12499  -20.95001 -27.43347 1.000 29.84089  ? 356 SER A O   1 
ATOM   360  C CB  . SER A 1 46  ? -2.01612  -19.30465 -24.96921 1.000 30.43970  ? 356 SER A CB  1 
ATOM   361  O OG  . SER A 1 46  ? -1.36561  -20.27773 -24.17864 1.000 30.51040  ? 356 SER A OG  1 
ATOM   362  N N   . HIS A 1 47  ? -3.45617  -22.25158 -25.61952 1.000 21.50764  ? 357 HIS A N   1 
ATOM   363  C CA  . HIS A 1 47  ? -3.32379  -23.47332 -26.41533 1.000 25.35835  ? 357 HIS A CA  1 
ATOM   364  C C   . HIS A 1 47  ? -4.59410  -23.79266 -27.21141 1.000 19.86454  ? 357 HIS A C   1 
ATOM   365  O O   . HIS A 1 47  ? -4.60402  -24.75503 -27.99667 1.000 23.39511  ? 357 HIS A O   1 
ATOM   366  C CB  . HIS A 1 47  ? -2.92018  -24.66954 -25.52683 1.000 28.54052  ? 357 HIS A CB  1 
ATOM   367  C CG  . HIS A 1 47  ? -3.90320  -24.98491 -24.43610 1.000 23.50917  ? 357 HIS A CG  1 
ATOM   368  N ND1 . HIS A 1 47  ? -3.95034  -24.28282 -23.25063 1.000 25.93279  ? 357 HIS A ND1 1 
ATOM   369  C CD2 . HIS A 1 47  ? -4.86946  -25.92764 -24.35135 1.000 20.68408  ? 357 HIS A CD2 1 
ATOM   370  C CE1 . HIS A 1 47  ? -4.91707  -24.76407 -22.49306 1.000 19.84882  ? 357 HIS A CE1 1 
ATOM   371  N NE2 . HIS A 1 47  ? -5.50689  -25.75096 -23.14577 1.000 23.62983  ? 357 HIS A NE2 1 
ATOM   372  N N   . ILE A 1 48  ? -5.66469  -23.00392 -27.05909 1.000 22.42749  ? 358 ILE A N   1 
ATOM   373  C CA  . ILE A 1 48  ? -6.80625  -23.11226 -27.95367 1.000 18.57408  ? 358 ILE A CA  1 
ATOM   374  C C   . ILE A 1 48  ? -7.16263  -21.78462 -28.60183 1.000 25.19494  ? 358 ILE A C   1 
ATOM   375  O O   . ILE A 1 48  ? -8.21855  -21.67392 -29.22446 1.000 20.56460  ? 358 ILE A O   1 
ATOM   376  C CB  . ILE A 1 48  ? -8.02235  -23.72404 -27.23687 1.000 19.23616  ? 358 ILE A CB  1 
ATOM   377  C CG1 . ILE A 1 48  ? -8.53898  -22.83172 -26.10507 1.000 22.47590  ? 358 ILE A CG1 1 
ATOM   378  C CG2 . ILE A 1 48  ? -7.72904  -25.17722 -26.78861 1.000 19.89184  ? 358 ILE A CG2 1 
ATOM   379  C CD1 . ILE A 1 48  ? -9.88405  -23.34056 -25.56157 1.000 17.51038  ? 358 ILE A CD1 1 
ATOM   380  N N   . ALA A 1 49  ? -6.29444  -20.77582 -28.50004 1.000 22.21868  ? 359 ALA A N   1 
ATOM   381  C CA  . ALA A 1 49  ? -6.60885  -19.49169 -29.11189 1.000 21.38798  ? 359 ALA A CA  1 
ATOM   382  C C   . ALA A 1 49  ? -6.81506  -19.68564 -30.60448 1.000 26.55569  ? 359 ALA A C   1 
ATOM   383  O O   . ALA A 1 49  ? -6.02165  -20.36346 -31.25841 1.000 20.06387  ? 359 ALA A O   1 
ATOM   384  C CB  . ALA A 1 49  ? -5.48323  -18.48371 -28.86846 1.000 24.28008  ? 359 ALA A CB  1 
ATOM   385  N N   . GLY A 1 50  ? -7.87741  -19.08403 -31.14612 1.000 21.01510  ? 360 GLY A N   1 
ATOM   386  C CA  . GLY A 1 50  ? -8.12087  -19.11259 -32.57366 1.000 21.67780  ? 360 GLY A CA  1 
ATOM   387  C C   . GLY A 1 50  ? -8.75211  -20.37348 -33.12166 1.000 23.39584  ? 360 GLY A C   1 
ATOM   388  O O   . GLY A 1 50  ? -8.96768  -20.45404 -34.33997 1.000 25.78587  ? 360 GLY A O   1 
ATOM   389  N N   . THR A 1 51  ? -9.05741  -21.36287 -32.28850 1.000 25.06717  ? 361 THR A N   1 
ATOM   390  C CA  . THR A 1 51  ? -9.58219  -22.64092 -32.76404 1.000 25.77404  ? 361 THR A CA  1 
ATOM   391  C C   . THR A 1 51  ? -11.10011 -22.62344 -32.76845 1.000 26.66512  ? 361 THR A C   1 
ATOM   392  O O   . THR A 1 51  ? -11.74079 -21.75715 -32.17353 1.000 26.09858  ? 361 THR A O   1 
ATOM   393  C CB  . THR A 1 51  ? -9.11355  -23.79667 -31.87279 1.000 23.27946  ? 361 THR A CB  1 
ATOM   394  O OG1 . THR A 1 51  ? -9.60508  -23.54854 -30.54757 1.000 27.93578  ? 361 THR A OG1 1 
ATOM   395  C CG2 . THR A 1 51  ? -7.57892  -23.94705 -31.87268 1.000 22.69170  ? 361 THR A CG2 1 
ATOM   396  N N   . SER A 1 52  ? -11.69413 -23.60575 -33.43388 1.000 32.01474  ? 362 SER A N   1 
ATOM   397  C CA  . SER A 1 52  ? -13.13279 -23.84588 -33.28287 1.000 33.14266  ? 362 SER A CA  1 
ATOM   398  C C   . SER A 1 52  ? -13.29591 -25.34079 -33.07134 1.000 33.97608  ? 362 SER A C   1 
ATOM   399  O O   . SER A 1 52  ? -13.42175 -26.10769 -34.02610 1.000 31.06031  ? 362 SER A O   1 
ATOM   400  C CB  . SER A 1 52  ? -13.91171 -23.34706 -34.47109 1.000 43.19581  ? 362 SER A CB  1 
ATOM   401  O OG  . SER A 1 52  ? -14.11978 -21.95252 -34.34760 1.000 53.34159  ? 362 SER A OG  1 
ATOM   402  N N   . GLY A 1 53  ? -13.26664 -25.75039 -31.81305 1.000 28.04552  ? 363 GLY A N   1 
ATOM   403  C CA  . GLY A 1 53  ? -13.21022 -27.14863 -31.48805 1.000 28.80236  ? 363 GLY A CA  1 
ATOM   404  C C   . GLY A 1 53  ? -11.99367 -27.83261 -32.06066 1.000 31.97075  ? 363 GLY A C   1 
ATOM   405  O O   . GLY A 1 53  ? -10.85293 -27.46616 -31.75724 1.000 32.19746  ? 363 GLY A O   1 
ATOM   406  N N   . SER A 1 54  ? -12.23591 -28.84680 -32.88866 1.000 26.75011  ? 364 SER A N   1 
ATOM   407  C CA  . SER A 1 54  ? -11.17101 -29.66662 -33.43052 1.000 27.29809  ? 364 SER A CA  1 
ATOM   408  C C   . SER A 1 54  ? -10.56598 -29.07850 -34.69132 1.000 32.13831  ? 364 SER A C   1 
ATOM   409  O O   . SER A 1 54  ? -9.76184  -29.74260 -35.34848 1.000 30.89152  ? 364 SER A O   1 
ATOM   410  C CB  . SER A 1 54  ? -11.70187 -31.07116 -33.69566 1.000 25.72755  ? 364 SER A CB  1 
ATOM   411  O OG  . SER A 1 54  ? -12.78010 -31.04810 -34.60570 1.000 35.54889  ? 364 SER A OG  1 
ATOM   412  N N   . SER A 1 55  ? -10.92744 -27.85584 -35.05315 1.000 29.44418  ? 365 SER A N   1 
ATOM   413  C CA  . SER A 1 55  ? -10.48734 -27.30980 -36.32471 1.000 35.16365  ? 365 SER A CA  1 
ATOM   414  C C   . SER A 1 55  ? -9.86618  -25.93712 -36.13770 1.000 25.32557  ? 365 SER A C   1 
ATOM   415  O O   . SER A 1 55  ? -10.26241 -25.17062 -35.25221 1.000 21.34671  ? 365 SER A O   1 
ATOM   416  C CB  . SER A 1 55  ? -11.65791 -27.24395 -37.29638 1.000 37.11627  ? 365 SER A CB  1 
ATOM   417  O OG  . SER A 1 55  ? -12.72642 -26.53699 -36.69582 1.000 48.27270  ? 365 SER A OG  1 
ATOM   418  N N   . LEU A 1 56  ? -8.88680  -25.64382 -36.99263 1.000 30.87439  ? 366 LEU A N   1 
ATOM   419  C CA  . LEU A 1 56  ? -8.16025  -24.38054 -37.01959 1.000 28.74132  ? 366 LEU A CA  1 
ATOM   420  C C   . LEU A 1 56  ? -8.22162  -23.83453 -38.44004 1.000 31.32047  ? 366 LEU A C   1 
ATOM   421  O O   . LEU A 1 56  ? -7.64875  -24.43536 -39.35582 1.000 32.45975  ? 366 LEU A O   1 
ATOM   422  C CB  . LEU A 1 56  ? -6.70421  -24.59252 -36.58718 1.000 27.44891  ? 366 LEU A CB  1 
ATOM   423  C CG  . LEU A 1 56  ? -5.76371  -23.39184 -36.49236 1.000 26.69910  ? 366 LEU A CG  1 
ATOM   424  C CD1 . LEU A 1 56  ? -6.22278  -22.39894 -35.45192 1.000 24.61133  ? 366 LEU A CD1 1 
ATOM   425  C CD2 . LEU A 1 56  ? -4.34973  -23.85162 -36.19502 1.000 30.39321  ? 366 LEU A CD2 1 
ATOM   426  N N   . SER A 1 57  ? -8.89069  -22.69573 -38.63511 1.000 23.78370  ? 367 SER A N   1 
ATOM   427  C CA  . SER A 1 57  ? -8.93042  -22.11418 -39.97741 1.000 25.28848  ? 367 SER A CA  1 
ATOM   428  C C   . SER A 1 57  ? -7.54310  -21.66285 -40.42728 1.000 27.64562  ? 367 SER A C   1 
ATOM   429  O O   . SER A 1 57  ? -6.61970  -21.51514 -39.63370 1.000 27.72580  ? 367 SER A O   1 
ATOM   430  C CB  . SER A 1 57  ? -9.87404  -20.92687 -40.01422 1.000 28.39889  ? 367 SER A CB  1 
ATOM   431  O OG  . SER A 1 57  ? -9.40320  -19.92544 -39.13131 1.000 24.17793  ? 367 SER A OG  1 
ATOM   432  N N   . PHE A 1 58  ? -7.41520  -21.40303 -41.73281 1.000 26.82961  ? 368 PHE A N   1 
ATOM   433  C CA  . PHE A 1 58  ? -6.18759  -20.81099 -42.24055 1.000 27.91561  ? 368 PHE A CA  1 
ATOM   434  C C   . PHE A 1 58  ? -5.95875  -19.42594 -41.65170 1.000 29.56174  ? 368 PHE A C   1 
ATOM   435  O O   . PHE A 1 58  ? -4.82847  -19.09511 -41.26029 1.000 28.94657  ? 368 PHE A O   1 
ATOM   436  C CB  . PHE A 1 58  ? -6.21250  -20.73809 -43.77186 1.000 33.66750  ? 368 PHE A CB  1 
ATOM   437  C CG  . PHE A 1 58  ? -4.86419  -20.44190 -44.38962 1.000 36.03239  ? 368 PHE A CG  1 
ATOM   438  C CD1 . PHE A 1 58  ? -4.40758  -19.13663 -44.51644 1.000 33.23118  ? 368 PHE A CD1 1 
ATOM   439  C CD2 . PHE A 1 58  ? -4.05362  -21.46787 -44.85415 1.000 30.57136  ? 368 PHE A CD2 1 
ATOM   440  C CE1 . PHE A 1 58  ? -3.16383  -18.86602 -45.07594 1.000 35.88487  ? 368 PHE A CE1 1 
ATOM   441  C CE2 . PHE A 1 58  ? -2.81819  -21.19952 -45.41049 1.000 31.61160  ? 368 PHE A CE2 1 
ATOM   442  C CZ  . PHE A 1 58  ? -2.37329  -19.89855 -45.52169 1.000 30.08696  ? 368 PHE A CZ  1 
ATOM   443  N N   . HIS A 1 59  ? -7.00853  -18.59119 -41.58851 1.000 24.86692  ? 369 HIS A N   1 
ATOM   444  C CA  . HIS A 1 59  ? -6.82118  -17.25820 -41.02776 1.000 28.73398  ? 369 HIS A CA  1 
ATOM   445  C C   . HIS A 1 59  ? -6.26197  -17.33483 -39.61647 1.000 30.17701  ? 369 HIS A C   1 
ATOM   446  O O   . HIS A 1 59  ? -5.30897  -16.61977 -39.27552 1.000 28.30805  ? 369 HIS A O   1 
ATOM   447  C CB  . HIS A 1 59  ? -8.11817  -16.45824 -41.02363 1.000 24.51789  ? 369 HIS A CB  1 
ATOM   448  C CG  . HIS A 1 59  ? -7.91016  -15.01765 -40.65364 1.000 25.23828  ? 369 HIS A CG  1 
ATOM   449  N ND1 . HIS A 1 59  ? -8.13435  -14.53292 -39.37851 1.000 26.61738  ? 369 HIS A ND1 1 
ATOM   450  C CD2 . HIS A 1 59  ? -7.42416  -13.97670 -41.36934 1.000 26.02967  ? 369 HIS A CD2 1 
ATOM   451  C CE1 . HIS A 1 59  ? -7.83457  -13.24640 -39.33746 1.000 28.59208  ? 369 HIS A CE1 1 
ATOM   452  N NE2 . HIS A 1 59  ? -7.40388  -12.88071 -40.53278 1.000 27.86448  ? 369 HIS A NE2 1 
ATOM   453  N N   . SER A 1 60  ? -6.85533  -18.19512 -38.78059 1.000 22.87552  ? 370 SER A N   1 
ATOM   454  C CA  . SER A 1 60  ? -6.41045  -18.33821 -37.40053 1.000 24.20482  ? 370 SER A CA  1 
ATOM   455  C C   . SER A 1 60  ? -4.97472  -18.83641 -37.30494 1.000 27.22415  ? 370 SER A C   1 
ATOM   456  O O   . SER A 1 60  ? -4.28074  -18.50500 -36.33083 1.000 24.66240  ? 370 SER A O   1 
ATOM   457  C CB  . SER A 1 60  ? -7.34290  -19.28391 -36.66262 1.000 23.97307  ? 370 SER A CB  1 
ATOM   458  O OG  . SER A 1 60  ? -8.63024  -18.70266 -36.49976 1.000 27.58062  ? 370 SER A OG  1 
ATOM   459  N N   . THR A 1 61  ? -4.52891  -19.66461 -38.27633 1.000 23.95033  ? 371 THR A N   1 
ATOM   460  C CA  . THR A 1 61  ? -3.15929  -20.16960 -38.30195 1.000 28.86652  ? 371 THR A CA  1 
ATOM   461  C C   . THR A 1 61  ? -2.18291  -19.03499 -38.57449 1.000 21.16324  ? 371 THR A C   1 
ATOM   462  O O   . THR A 1 61  ? -1.07938  -18.98864 -38.00714 1.000 24.64509  ? 371 THR A O   1 
ATOM   463  C CB  . THR A 1 61  ? -3.00932  -21.27393 -39.36956 1.000 26.01239  ? 371 THR A CB  1 
ATOM   464  O OG1 . THR A 1 61  ? -3.98173  -22.30898 -39.15956 1.000 28.16908  ? 371 THR A OG1 1 
ATOM   465  C CG2 . THR A 1 61  ? -1.61092  -21.92087 -39.31890 1.000 27.70680  ? 371 THR A CG2 1 
ATOM   466  N N   . VAL A 1 62  ? -2.56665  -18.11477 -39.45927 1.000 28.30147  ? 372 VAL A N   1 
ATOM   467  C CA  . VAL A 1 62  ? -1.75571  -16.93064 -39.70968 1.000 22.35316  ? 372 VAL A CA  1 
ATOM   468  C C   . VAL A 1 62  ? -1.63802  -16.10103 -38.43587 1.000 25.70757  ? 372 VAL A C   1 
ATOM   469  O O   . VAL A 1 62  ? -0.54411  -15.67946 -38.04288 1.000 26.83566  ? 372 VAL A O   1 
ATOM   470  C CB  . VAL A 1 62  ? -2.36635  -16.10313 -40.85253 1.000 27.78131  ? 372 VAL A CB  1 
ATOM   471  C CG1 . VAL A 1 62  ? -1.64737  -14.77974 -40.94357 1.000 29.75252  ? 372 VAL A CG1 1 
ATOM   472  C CG2 . VAL A 1 62  ? -2.25438  -16.84444 -42.17685 1.000 27.51926  ? 372 VAL A CG2 1 
ATOM   473  N N   . ILE A 1 63  ? -2.76926  -15.85653 -37.76838 1.000 24.38276  ? 373 ILE A N   1 
ATOM   474  C CA  . ILE A 1 63  ? -2.75171  -15.08142 -36.53054 1.000 31.55577  ? 373 ILE A CA  1 
ATOM   475  C C   . ILE A 1 63  ? -1.88181  -15.76350 -35.48476 1.000 27.39730  ? 373 ILE A C   1 
ATOM   476  O O   . ILE A 1 63  ? -1.02541  -15.12931 -34.85899 1.000 32.03156  ? 373 ILE A O   1 
ATOM   477  C CB  . ILE A 1 63  ? -4.17978  -14.84769 -36.00496 1.000 32.53231  ? 373 ILE A CB  1 
ATOM   478  C CG1 . ILE A 1 63  ? -5.04410  -14.14460 -37.06275 1.000 27.14788  ? 373 ILE A CG1 1 
ATOM   479  C CG2 . ILE A 1 63  ? -4.13591  -14.05181 -34.69377 1.000 26.86719  ? 373 ILE A CG2 1 
ATOM   480  C CD1 . ILE A 1 63  ? -4.57311  -12.73722 -37.37178 1.000 27.53575  ? 373 ILE A CD1 1 
ATOM   481  N N   . ASN A 1 64  ? -2.08105  -17.06869 -35.28462 1.000 23.37208  ? 374 ASN A N   1 
ATOM   482  C CA  . ASN A 1 64  ? -1.30371  -17.77947 -34.26783 1.000 26.59730  ? 374 ASN A CA  1 
ATOM   483  C C   . ASN A 1 64  ? 0.18742   -17.82547 -34.59842 1.000 23.06868  ? 374 ASN A C   1 
ATOM   484  O O   . ASN A 1 64  ? 1.00707   -17.92697 -33.67802 1.000 26.29422  ? 374 ASN A O   1 
ATOM   485  C CB  . ASN A 1 64  ? -1.86012  -19.19304 -34.05093 1.000 27.66539  ? 374 ASN A CB  1 
ATOM   486  C CG  . ASN A 1 64  ? -1.33689  -19.83415 -32.75805 1.000 23.56811  ? 374 ASN A CG  1 
ATOM   487  O OD1 . ASN A 1 64  ? -1.56671  -19.31642 -31.65458 1.000 27.31355  ? 374 ASN A OD1 1 
ATOM   488  N ND2 . ASN A 1 64  ? -0.62392  -20.94339 -32.88784 1.000 26.93337  ? 374 ASN A ND2 1 
ATOM   489  N N   . HIS A 1 65  ? 0.58181   -17.72559 -35.87582 1.000 21.88608  ? 375 HIS A N   1 
ATOM   490  C CA  . HIS A 1 65  ? 2.00363   -17.54655 -36.17764 1.000 24.06020  ? 375 HIS A CA  1 
ATOM   491  C C   . HIS A 1 65  ? 2.57539   -16.35869 -35.40559 1.000 32.49073  ? 375 HIS A C   1 
ATOM   492  O O   . HIS A 1 65  ? 3.63527   -16.46346 -34.78433 1.000 25.82703  ? 375 HIS A O   1 
ATOM   493  C CB  . HIS A 1 65  ? 2.23219   -17.37276 -37.69551 1.000 27.46248  ? 375 HIS A CB  1 
ATOM   494  C CG  . HIS A 1 65  ? 3.64509   -16.99066 -38.06703 1.000 29.04900  ? 375 HIS A CG  1 
ATOM   495  N ND1 . HIS A 1 65  ? 4.61300   -17.92488 -38.37365 1.000 27.90428  ? 375 HIS A ND1 1 
ATOM   496  C CD2 . HIS A 1 65  ? 4.24775   -15.78147 -38.18950 1.000 26.53017  ? 375 HIS A CD2 1 
ATOM   497  C CE1 . HIS A 1 65  ? 5.75428   -17.31147 -38.64284 1.000 30.32325  ? 375 HIS A CE1 1 
ATOM   498  N NE2 . HIS A 1 65  ? 5.55561   -16.00950 -38.54834 1.000 30.27626  ? 375 HIS A NE2 1 
ATOM   499  N N   . TYR A 1 66  ? 1.86718   -15.22088 -35.40303 1.000 30.13404  ? 376 TYR A N   1 
ATOM   500  C CA  . TYR A 1 66  ? 2.35204   -14.02895 -34.70913 1.000 29.16132  ? 376 TYR A CA  1 
ATOM   501  C C   . TYR A 1 66  ? 2.14302   -14.10808 -33.19577 1.000 31.74502  ? 376 TYR A C   1 
ATOM   502  O O   . TYR A 1 66  ? 3.00454   -13.65017 -32.43461 1.000 35.06107  ? 376 TYR A O   1 
ATOM   503  C CB  . TYR A 1 66  ? 1.67401   -12.77348 -35.28160 1.000 25.67996  ? 376 TYR A CB  1 
ATOM   504  C CG  . TYR A 1 66  ? 2.02659   -12.51599 -36.73454 1.000 30.78068  ? 376 TYR A CG  1 
ATOM   505  C CD1 . TYR A 1 66  ? 3.15731   -11.78199 -37.08556 1.000 41.49820  ? 376 TYR A CD1 1 
ATOM   506  C CD2 . TYR A 1 66  ? 1.23825   -13.03107 -37.76252 1.000 30.01347  ? 376 TYR A CD2 1 
ATOM   507  C CE1 . TYR A 1 66  ? 3.49427   -11.56025 -38.42563 1.000 36.62444  ? 376 TYR A CE1 1 
ATOM   508  C CE2 . TYR A 1 66  ? 1.56929   -12.81599 -39.10491 1.000 31.93408  ? 376 TYR A CE2 1 
ATOM   509  C CZ  . TYR A 1 66  ? 2.68830   -12.08234 -39.42619 1.000 39.53377  ? 376 TYR A CZ  1 
ATOM   510  O OH  . TYR A 1 66  ? 3.00260   -11.86607 -40.75645 1.000 55.92200  ? 376 TYR A OH  1 
ATOM   511  N N   . ARG A 1 67  ? 1.00287   -14.63769 -32.73571 1.000 29.86926  ? 377 ARG A N   1 
ATOM   512  C CA  . ARG A 1 67  ? 0.78472   -14.78823 -31.29650 1.000 27.05206  ? 377 ARG A CA  1 
ATOM   513  C C   . ARG A 1 67  ? 1.87136   -15.67023 -30.68323 1.000 30.09041  ? 377 ARG A C   1 
ATOM   514  O O   . ARG A 1 67  ? 2.49902   -15.30298 -29.68763 1.000 43.14721  ? 377 ARG A O   1 
ATOM   515  C CB  . ARG A 1 67  ? -0.59481  -15.40271 -31.00430 1.000 26.59220  ? 377 ARG A CB  1 
ATOM   516  C CG  . ARG A 1 67  ? -1.70461  -14.35233 -30.90856 1.000 41.17026  ? 377 ARG A CG  1 
ATOM   517  C CD  . ARG A 1 67  ? -3.01323  -14.81932 -30.27624 1.000 51.14452  ? 377 ARG A CD  1 
ATOM   518  N NE  . ARG A 1 67  ? -3.99536  -15.23540 -31.26372 1.000 55.38231  ? 377 ARG A NE  1 
ATOM   519  C CZ  . ARG A 1 67  ? -5.31026  -15.09412 -31.14429 1.000 42.42063  ? 377 ARG A CZ  1 
ATOM   520  N NH1 . ARG A 1 67  ? -5.84449  -14.26164 -30.26386 1.000 49.68028  ? 377 ARG A NH1 1 
ATOM   521  N NH2 . ARG A 1 67  ? -6.11200  -15.77799 -31.95905 1.000 44.61402  ? 377 ARG A NH2 1 
ATOM   522  N N   . MET A 1 68  ? 2.09004   -16.85769 -31.26280 1.000 35.45303  ? 378 MET A N   1 
ATOM   523  C CA  . MET A 1 68  ? 3.12781   -17.76988 -30.77538 1.000 45.65061  ? 378 MET A CA  1 
ATOM   524  C C   . MET A 1 68  ? 4.47749   -17.08088 -30.59335 1.000 33.70587  ? 378 MET A C   1 
ATOM   525  O O   . MET A 1 68  ? 5.26608   -17.48159 -29.72943 1.000 40.98355  ? 378 MET A O   1 
ATOM   526  C CB  . MET A 1 68  ? 3.27405   -18.95259 -31.74294 1.000 33.36368  ? 378 MET A CB  1 
ATOM   527  C CG  . MET A 1 68  ? 3.65936   -20.26565 -31.11076 1.000 40.90286  ? 378 MET A CG  1 
ATOM   528  S SD  . MET A 1 68  ? 4.70160   -21.26835 -32.20259 1.000 52.09251  ? 378 MET A SD  1 
ATOM   529  C CE  . MET A 1 68  ? 6.06162   -20.16192 -32.49006 1.000 30.45211  ? 378 MET A CE  1 
ATOM   530  N N   . ARG A 1 69  ? 4.78110   -16.06477 -31.40601 1.000 33.92536  ? 379 ARG A N   1 
ATOM   531  C CA  . ARG A 1 69  ? 6.07778   -15.40643 -31.36035 1.000 35.07535  ? 379 ARG A CA  1 
ATOM   532  C C   . ARG A 1 69  ? 6.05054   -14.09242 -30.60668 1.000 38.23987  ? 379 ARG A C   1 
ATOM   533  O O   . ARG A 1 69  ? 7.08006   -13.42244 -30.52919 1.000 37.89672  ? 379 ARG A O   1 
ATOM   534  C CB  . ARG A 1 69  ? 6.60744   -15.16097 -32.77767 1.000 28.79595  ? 379 ARG A CB  1 
ATOM   535  C CG  . ARG A 1 69  ? 6.82239   -16.45700 -33.55443 1.000 31.56664  ? 379 ARG A CG  1 
ATOM   536  C CD  . ARG A 1 69  ? 7.00036   -16.19733 -35.02606 1.000 34.33933  ? 379 ARG A CD  1 
ATOM   537  N NE  . ARG A 1 69  ? 7.46642   -17.41105 -35.67657 1.000 28.97961  ? 379 ARG A NE  1 
ATOM   538  C CZ  . ARG A 1 69  ? 6.76451   -18.52848 -35.76623 1.000 30.90498  ? 379 ARG A CZ  1 
ATOM   539  N NH1 . ARG A 1 69  ? 5.52153   -18.60455 -35.31066 1.000 29.76471  ? 379 ARG A NH1 1 
ATOM   540  N NH2 . ARG A 1 69  ? 7.31554   -19.59644 -36.34082 1.000 29.02705  ? 379 ARG A NH2 1 
ATOM   541  N N   . GLY A 1 70  ? 4.90422   -13.70534 -30.06526 1.000 35.08610  ? 380 GLY A N   1 
ATOM   542  C CA  . GLY A 1 70  ? 4.78587   -12.44932 -29.35181 1.000 32.58497  ? 380 GLY A CA  1 
ATOM   543  C C   . GLY A 1 70  ? 4.86598   -11.21148 -30.21054 1.000 50.33247  ? 380 GLY A C   1 
ATOM   544  O O   . GLY A 1 70  ? 5.08273   -10.11480 -29.68268 1.000 43.20533  ? 380 GLY A O   1 
ATOM   545  N N   . HIS A 1 71  ? 4.70640   -11.35049 -31.52372 1.000 36.97209  ? 381 HIS A N   1 
ATOM   546  C CA  . HIS A 1 71  ? 4.77852   -10.20183 -32.41521 1.000 55.93300  ? 381 HIS A CA  1 
ATOM   547  C C   . HIS A 1 71  ? 3.61978   -9.23583  -32.15512 1.000 75.80956  ? 381 HIS A C   1 
ATOM   548  O O   . HIS A 1 71  ? 2.44627   -9.61551  -32.24762 1.000 67.38051  ? 381 HIS A O   1 
ATOM   549  C CB  . HIS A 1 71  ? 4.82882   -10.69489 -33.85712 1.000 37.06027  ? 381 HIS A CB  1 
ATOM   550  C CG  . HIS A 1 71  ? 6.10731   -11.40318 -34.19492 1.000 55.71870  ? 381 HIS A CG  1 
ATOM   551  N ND1 . HIS A 1 71  ? 7.20365   -11.39186 -33.35638 1.000 55.22383  ? 381 HIS A ND1 1 
ATOM   552  C CD2 . HIS A 1 71  ? 6.47557   -12.12178 -35.28327 1.000 53.81350  ? 381 HIS A CD2 1 
ATOM   553  C CE1 . HIS A 1 71  ? 8.18557   -12.08289 -33.90775 1.000 57.02582  ? 381 HIS A CE1 1 
ATOM   554  N NE2 . HIS A 1 71  ? 7.76974   -12.53534 -35.07848 1.000 53.62235  ? 381 HIS A NE2 1 
ATOM   555  N N   . SER A 1 72  ? 3.97102   -7.97876  -31.84940 1.000 98.27876  ? 382 SER A N   1 
ATOM   556  C CA  . SER A 1 72  ? 3.09591   -7.03733  -31.14347 1.000 112.61276 ? 382 SER A CA  1 
ATOM   557  C C   . SER A 1 72  ? 1.68040   -6.92768  -31.68413 1.000 110.66290 ? 382 SER A C   1 
ATOM   558  O O   . SER A 1 72  ? 0.73738   -7.00199  -30.87751 1.000 90.16782  ? 382 SER A O   1 
ATOM   559  C CB  . SER A 1 72  ? 3.72543   -5.63808  -31.13442 1.000 111.39258 ? 382 SER A CB  1 
ATOM   560  O OG  . SER A 1 72  ? 3.18732   -4.87038  -30.06915 1.000 119.92131 ? 382 SER A OG  1 
ATOM   561  N N   . PRO A 1 73  ? 1.45413   -6.69170  -32.99685 1.000 104.79376 ? 383 PRO A N   1 
ATOM   562  C CA  . PRO A 1 73  ? 0.07625   -6.52754  -33.48644 1.000 79.87892  ? 383 PRO A CA  1 
ATOM   563  C C   . PRO A 1 73  ? -0.87732  -7.46360  -32.76559 1.000 80.94844  ? 383 PRO A C   1 
ATOM   564  O O   . PRO A 1 73  ? -1.82953  -7.02863  -32.10968 1.000 81.66773  ? 383 PRO A O   1 
ATOM   565  C CB  . PRO A 1 73  ? 0.18647   -6.86020  -34.98598 1.000 71.04392  ? 383 PRO A CB  1 
ATOM   566  C CG  . PRO A 1 73  ? 1.61516   -7.41411  -35.18705 1.000 73.01473  ? 383 PRO A CG  1 
ATOM   567  C CD  . PRO A 1 73  ? 2.42393   -6.76973  -34.10528 1.000 75.14562  ? 383 PRO A CD  1 
ATOM   568  N N   . PHE A 1 74  ? -0.54349  -8.75111  -32.80442 1.000 77.59513  ? 384 PHE A N   1 
ATOM   569  C CA  . PHE A 1 74  ? -1.39626  -9.84223  -32.36094 1.000 65.16537  ? 384 PHE A CA  1 
ATOM   570  C C   . PHE A 1 74  ? -1.04494  -10.36691 -30.97553 1.000 65.22796  ? 384 PHE A C   1 
ATOM   571  O O   . PHE A 1 74  ? -1.85473  -11.08334 -30.37007 1.000 68.13564  ? 384 PHE A O   1 
ATOM   572  C CB  . PHE A 1 74  ? -1.29711  -10.95037 -33.39802 1.000 54.98437  ? 384 PHE A CB  1 
ATOM   573  C CG  . PHE A 1 74  ? -1.83327  -10.54350 -34.72461 1.000 62.52104  ? 384 PHE A CG  1 
ATOM   574  C CD1 . PHE A 1 74  ? -3.08040  -9.94664  -34.82319 1.000 55.96028  ? 384 PHE A CD1 1 
ATOM   575  C CD2 . PHE A 1 74  ? -1.03169  -10.60375 -35.85096 1.000 54.55478  ? 384 PHE A CD2 1 
ATOM   576  C CE1 . PHE A 1 74  ? -3.56651  -9.53254  -36.05897 1.000 71.00678  ? 384 PHE A CE1 1 
ATOM   577  C CE2 . PHE A 1 74  ? -1.49875  -10.18678 -37.07766 1.000 63.56077  ? 384 PHE A CE2 1 
ATOM   578  C CZ  . PHE A 1 74  ? -2.76819  -9.64720  -37.18622 1.000 66.91055  ? 384 PHE A CZ  1 
ATOM   579  N N   . ALA A 1 75  ? 0.13228   -10.02358 -30.45616 1.000 68.58891  ? 385 ALA A N   1 
ATOM   580  C CA  . ALA A 1 75  ? 0.46395   -10.41173 -29.09341 1.000 77.75880  ? 385 ALA A CA  1 
ATOM   581  C C   . ALA A 1 75  ? -0.51790  -9.81412  -28.09705 1.000 92.12878  ? 385 ALA A C   1 
ATOM   582  O O   . ALA A 1 75  ? -0.79595  -10.42049 -27.05454 1.000 72.08983  ? 385 ALA A O   1 
ATOM   583  C CB  . ALA A 1 75  ? 1.89150   -9.97904  -28.76267 1.000 81.67944  ? 385 ALA A CB  1 
ATOM   584  N N   . ASN A 1 76  ? -1.06838  -8.64128  -28.41084 1.000 106.56195 ? 386 ASN A N   1 
ATOM   585  C CA  . ASN A 1 76  ? -1.89691  -7.89496  -27.47626 1.000 101.12021 ? 386 ASN A CA  1 
ATOM   586  C C   . ASN A 1 76  ? -3.38902  -8.19728  -27.59313 1.000 101.90278 ? 386 ASN A C   1 
ATOM   587  O O   . ASN A 1 76  ? -4.14484  -7.84998  -26.67913 1.000 106.42365 ? 386 ASN A O   1 
ATOM   588  C CB  . ASN A 1 76  ? -1.65762  -6.39318  -27.66156 1.000 100.57218 ? 386 ASN A CB  1 
ATOM   589  C CG  . ASN A 1 76  ? -0.23745  -5.98560  -27.31436 1.000 113.51441 ? 386 ASN A CG  1 
ATOM   590  O OD1 . ASN A 1 76  ? 0.31395   -6.42715  -26.30485 1.000 108.48516 ? 386 ASN A OD1 1 
ATOM   591  N ND2 . ASN A 1 76  ? 0.35861   -5.13214  -28.14361 1.000 117.77020 ? 386 ASN A ND2 1 
ATOM   592  N N   . LEU A 1 77  ? -3.83800  -8.83288  -28.67236 1.000 75.71841  ? 387 LEU A N   1 
ATOM   593  C CA  . LEU A 1 77  ? -5.25713  -9.13232  -28.82946 1.000 71.01726  ? 387 LEU A CA  1 
ATOM   594  C C   . LEU A 1 77  ? -5.59912  -10.41275 -28.07590 1.000 53.55280  ? 387 LEU A C   1 
ATOM   595  O O   . LEU A 1 77  ? -4.97014  -11.45616 -28.28618 1.000 65.00730  ? 387 LEU A O   1 
ATOM   596  C CB  . LEU A 1 77  ? -5.62843  -9.24885  -30.30516 1.000 67.71514  ? 387 LEU A CB  1 
ATOM   597  C CG  . LEU A 1 77  ? -5.29438  -8.04575  -31.19902 1.000 84.85849  ? 387 LEU A CG  1 
ATOM   598  C CD1 . LEU A 1 77  ? -6.32219  -7.90531  -32.32226 1.000 83.52143  ? 387 LEU A CD1 1 
ATOM   599  C CD2 . LEU A 1 77  ? -5.18938  -6.74619  -30.39804 1.000 88.43671  ? 387 LEU A CD2 1 
ATOM   600  N N   . LYS A 1 78  ? -6.58318  -10.32214 -27.18639 1.000 53.55943  ? 388 LYS A N   1 
ATOM   601  C CA  . LYS A 1 78  ? -6.96066  -11.42239 -26.31309 1.000 65.96623  ? 388 LYS A CA  1 
ATOM   602  C C   . LYS A 1 78  ? -8.05385  -12.25594 -26.96925 1.000 53.55586  ? 388 LYS A C   1 
ATOM   603  O O   . LYS A 1 78  ? -8.84034  -11.76112 -27.78150 1.000 53.81459  ? 388 LYS A O   1 
ATOM   604  C CB  . LYS A 1 78  ? -7.44046  -10.90243 -24.95692 1.000 54.73484  ? 388 LYS A CB  1 
ATOM   605  C CG  . LYS A 1 78  ? -6.79754  -9.58256  -24.53379 1.000 89.87133  ? 388 LYS A CG  1 
ATOM   606  C CD  . LYS A 1 78  ? -7.42939  -8.38805  -25.24711 1.000 75.50142  ? 388 LYS A CD  1 
ATOM   607  C CE  . LYS A 1 78  ? -7.09149  -7.08668  -24.53936 1.000 84.38751  ? 388 LYS A CE  1 
ATOM   608  N NZ  . LYS A 1 78  ? -7.77611  -5.92541  -25.16789 1.000 92.67372  ? 388 LYS A NZ  1 
ATOM   609  N N   . SER A 1 79  ? -8.09470  -13.53174 -26.60986 1.000 49.51545  ? 389 SER A N   1 
ATOM   610  C CA  . SER A 1 79  ? -8.94753  -14.48974 -27.29164 1.000 29.22256  ? 389 SER A CA  1 
ATOM   611  C C   . SER A 1 79  ? -10.29077 -14.53630 -26.58098 1.000 29.62588  ? 389 SER A C   1 
ATOM   612  O O   . SER A 1 79  ? -10.33648 -14.57891 -25.34934 1.000 41.01608  ? 389 SER A O   1 
ATOM   613  C CB  . SER A 1 79  ? -8.26853  -15.86396 -27.31587 1.000 35.11413  ? 389 SER A CB  1 
ATOM   614  O OG  . SER A 1 79  ? -8.86743  -16.70153 -28.29224 1.000 35.03717  ? 389 SER A OG  1 
ATOM   615  N N   . CYS A 1 80  ? -11.38672 -14.51476 -27.35171 1.000 30.75597  ? 390 CYS A N   1 
ATOM   616  C CA  . CYS A 1 80  ? -12.73651 -14.50982 -26.79946 1.000 28.64896  ? 390 CYS A CA  1 
ATOM   617  C C   . CYS A 1 80  ? -13.54450 -15.68843 -27.31514 1.000 21.12363  ? 390 CYS A C   1 
ATOM   618  O O   . CYS A 1 80  ? -13.49263 -16.01716 -28.50835 1.000 29.67207  ? 390 CYS A O   1 
ATOM   619  C CB  . CYS A 1 80  ? -13.48892 -13.22779 -27.16778 1.000 36.27662  ? 390 CYS A CB  1 
ATOM   620  S SG  . CYS A 1 80  ? -12.95103 -11.79681 -26.27235 1.000 78.10278  ? 390 CYS A SG  1 
ATOM   621  N N   . CYS A 1 81  ? -14.30075 -16.30566 -26.41759 1.000 25.74412  ? 391 CYS A N   1 
ATOM   622  C CA  . CYS A 1 81  ? -15.20694 -17.38062 -26.79229 1.000 27.65589  ? 391 CYS A CA  1 
ATOM   623  C C   . CYS A 1 81  ? -16.44637 -16.80868 -27.48195 1.000 30.09133  ? 391 CYS A C   1 
ATOM   624  O O   . CYS A 1 81  ? -17.24950 -16.11145 -26.85145 1.000 30.02765  ? 391 CYS A O   1 
ATOM   625  C CB  . CYS A 1 81  ? -15.59941 -18.15474 -25.54352 1.000 24.56592  ? 391 CYS A CB  1 
ATOM   626  S SG  . CYS A 1 81  ? -16.64281 -19.56151 -25.89683 1.000 28.31480  ? 391 CYS A SG  1 
ATOM   627  N N   . VAL A 1 82  ? -16.63549 -17.11187 -28.76468 1.000 20.91686  ? 392 VAL A N   1 
ATOM   628  C CA  . VAL A 1 82  ? -17.69978 -16.42732 -29.50214 1.000 26.48411  ? 392 VAL A CA  1 
ATOM   629  C C   . VAL A 1 82  ? -18.26996 -17.39210 -30.52883 1.000 26.98224  ? 392 VAL A C   1 
ATOM   630  O O   . VAL A 1 82  ? -17.61765 -18.39178 -30.84800 1.000 22.94670  ? 392 VAL A O   1 
ATOM   631  C CB  . VAL A 1 82  ? -17.16965 -15.17134 -30.20897 1.000 27.71383  ? 392 VAL A CB  1 
ATOM   632  C CG1 . VAL A 1 82  ? -16.71883 -14.11027 -29.19952 1.000 28.15036  ? 392 VAL A CG1 1 
ATOM   633  C CG2 . VAL A 1 82  ? -16.05469 -15.56399 -31.14501 1.000 24.56882  ? 392 VAL A CG2 1 
ATOM   634  N N   . PRO A 1 83  ? -19.45615 -17.14756 -31.07983 1.000 25.48468  ? 393 PRO A N   1 
ATOM   635  C CA  . PRO A 1 83  ? -19.95379 -18.04696 -32.11980 1.000 22.20234  ? 393 PRO A CA  1 
ATOM   636  C C   . PRO A 1 83  ? -19.01359 -18.02225 -33.30148 1.000 25.14680  ? 393 PRO A C   1 
ATOM   637  O O   . PRO A 1 83  ? -18.56472 -16.96093 -33.74354 1.000 26.82531  ? 393 PRO A O   1 
ATOM   638  C CB  . PRO A 1 83  ? -21.31880 -17.45187 -32.49503 1.000 26.61890  ? 393 PRO A CB  1 
ATOM   639  C CG  . PRO A 1 83  ? -21.70830 -16.58793 -31.34874 1.000 24.13677  ? 393 PRO A CG  1 
ATOM   640  C CD  . PRO A 1 83  ? -20.39467 -16.04545 -30.81827 1.000 24.05564  ? 393 PRO A CD  1 
ATOM   641  N N   . THR A 1 84  ? -18.74045 -19.18580 -33.84916 1.000 24.75241  ? 394 THR A N   1 
ATOM   642  C CA  . THR A 1 84  ? -17.98838 -19.20463 -35.08192 1.000 23.27414  ? 394 THR A CA  1 
ATOM   643  C C   . THR A 1 84  ? -18.79710 -19.73045 -36.23939 1.000 26.47986  ? 394 THR A C   1 
ATOM   644  O O   . THR A 1 84  ? -18.33779 -19.63680 -37.38482 1.000 27.17181  ? 394 THR A O   1 
ATOM   645  C CB  . THR A 1 84  ? -16.69208 -20.01397 -34.91954 1.000 24.62231  ? 394 THR A CB  1 
ATOM   646  O OG1 . THR A 1 84  ? -16.98994 -21.29107 -34.37619 1.000 33.40272  ? 394 THR A OG1 1 
ATOM   647  C CG2 . THR A 1 84  ? -15.75284 -19.28887 -33.97577 1.000 24.93909  ? 394 THR A CG2 1 
ATOM   648  N N   . LYS A 1 85  ? -20.00129 -20.23650 -35.97902 1.000 26.32419  ? 395 LYS A N   1 
ATOM   649  C CA  . LYS A 1 85  ? -20.94459 -20.60970 -37.01901 1.000 24.03436  ? 395 LYS A CA  1 
ATOM   650  C C   . LYS A 1 85  ? -22.35932 -20.40106 -36.49941 1.000 28.17382  ? 395 LYS A C   1 
ATOM   651  O O   . LYS A 1 85  ? -22.70369 -20.89507 -35.42373 1.000 29.22690  ? 395 LYS A O   1 
ATOM   652  C CB  . LYS A 1 85  ? -20.73820 -22.05918 -37.46290 1.000 24.10026  ? 395 LYS A CB  1 
ATOM   653  C CG  . LYS A 1 85  ? -21.26128 -22.28347 -38.87532 1.000 38.28155  ? 395 LYS A CG  1 
ATOM   654  C CD  . LYS A 1 85  ? -21.67355 -23.71162 -39.15907 1.000 50.02338  ? 395 LYS A CD  1 
ATOM   655  C CE  . LYS A 1 85  ? -20.44979 -24.59610 -39.24505 1.000 46.78884  ? 395 LYS A CE  1 
ATOM   656  N NZ  . LYS A 1 85  ? -20.79722 -26.00290 -39.59491 1.000 72.56991  ? 395 LYS A NZ  1 
ATOM   657  N N   . LEU A 1 86  ? -23.15837 -19.65296 -37.24813 1.000 31.94944  ? 396 LEU A N   1 
ATOM   658  C CA  . LEU A 1 86  ? -24.57410 -19.43472 -36.96727 1.000 24.45078  ? 396 LEU A CA  1 
ATOM   659  C C   . LEU A 1 86  ? -25.39436 -19.95571 -38.14045 1.000 32.45023  ? 396 LEU A C   1 
ATOM   660  O O   . LEU A 1 86  ? -24.86057 -20.23339 -39.21394 1.000 34.57272  ? 396 LEU A O   1 
ATOM   661  C CB  . LEU A 1 86  ? -24.84736 -17.94543 -36.72568 1.000 23.10406  ? 396 LEU A CB  1 
ATOM   662  C CG  . LEU A 1 86  ? -24.09563 -17.39686 -35.51127 1.000 28.10319  ? 396 LEU A CG  1 
ATOM   663  C CD1 . LEU A 1 86  ? -22.81072 -16.71968 -35.97119 1.000 26.03376  ? 396 LEU A CD1 1 
ATOM   664  C CD2 . LEU A 1 86  ? -24.98807 -16.39064 -34.82127 1.000 27.86203  ? 396 LEU A CD2 1 
ATOM   665  N N   . ARG A 1 87  ? -26.70113 -20.08366 -37.95019 1.000 32.49737  ? 397 ARG A N   1 
ATOM   666  C CA  . ARG A 1 87  ? -27.57435 -20.56155 -39.01086 1.000 31.82709  ? 397 ARG A CA  1 
ATOM   667  C C   . ARG A 1 87  ? -28.81822 -19.68250 -39.06332 1.000 34.26379  ? 397 ARG A C   1 
ATOM   668  O O   . ARG A 1 87  ? -29.12450 -18.97348 -38.09740 1.000 24.07482  ? 397 ARG A O   1 
ATOM   669  C CB  . ARG A 1 87  ? -27.87821 -22.05555 -38.79701 1.000 30.84491  ? 397 ARG A CB  1 
ATOM   670  C CG  . ARG A 1 87  ? -29.19592 -22.40278 -38.16233 1.000 51.30915  ? 397 ARG A CG  1 
ATOM   671  C CD  . ARG A 1 87  ? -29.54453 -23.88163 -38.40687 1.000 62.71095  ? 397 ARG A CD  1 
ATOM   672  N NE  . ARG A 1 87  ? -30.57116 -24.37148 -37.48717 1.000 87.06651  ? 397 ARG A NE  1 
ATOM   673  C CZ  . ARG A 1 87  ? -30.32979 -25.08654 -36.39091 1.000 79.56437  ? 397 ARG A CZ  1 
ATOM   674  N NH1 . ARG A 1 87  ? -29.09898 -25.45544 -36.06299 1.000 66.85484  ? 397 ARG A NH1 1 
ATOM   675  N NH2 . ARG A 1 87  ? -31.34944 -25.43072 -35.59583 1.000 44.53605  ? 397 ARG A NH2 1 
ATOM   676  N N   . PRO A 1 88  ? -29.49478 -19.62575 -40.20470 1.000 32.62922  ? 398 PRO A N   1 
ATOM   677  C CA  . PRO A 1 88  ? -30.63906 -18.72092 -40.35794 1.000 36.60289  ? 398 PRO A CA  1 
ATOM   678  C C   . PRO A 1 88  ? -31.90004 -19.32275 -39.74492 1.000 26.06958  ? 398 PRO A C   1 
ATOM   679  O O   . PRO A 1 88  ? -31.91140 -20.46799 -39.28256 1.000 32.15219  ? 398 PRO A O   1 
ATOM   680  C CB  . PRO A 1 88  ? -30.75613 -18.57866 -41.87855 1.000 31.78722  ? 398 PRO A CB  1 
ATOM   681  C CG  . PRO A 1 88  ? -30.31284 -19.93478 -42.37081 1.000 34.21179  ? 398 PRO A CG  1 
ATOM   682  C CD  . PRO A 1 88  ? -29.20119 -20.36295 -41.45239 1.000 31.49650  ? 398 PRO A CD  1 
ATOM   683  N N   . MET A 1 89  ? -32.97424 -18.53607 -39.75688 1.000 36.70318  ? 399 MET A N   1 
ATOM   684  C CA  . MET A 1 89  ? -34.25772 -18.99354 -39.23445 1.000 31.39556  ? 399 MET A CA  1 
ATOM   685  C C   . MET A 1 89  ? -35.39593 -18.29837 -39.95840 1.000 36.86155  ? 399 MET A C   1 
ATOM   686  O O   . MET A 1 89  ? -35.38955 -17.07268 -40.10810 1.000 31.29815  ? 399 MET A O   1 
ATOM   687  C CB  . MET A 1 89  ? -34.38502 -18.71311 -37.73655 1.000 35.13076  ? 399 MET A CB  1 
ATOM   688  C CG  . MET A 1 89  ? -35.36563 -19.62863 -37.04103 1.000 36.64316  ? 399 MET A CG  1 
ATOM   689  S SD  . MET A 1 89  ? -35.84217 -19.02311 -35.42397 1.000 33.53714  ? 399 MET A SD  1 
ATOM   690  C CE  . MET A 1 89  ? -35.92269 -17.25688 -35.66958 1.000 36.79938  ? 399 MET A CE  1 
ATOM   691  N N   . SER A 1 90  ? -36.40681 -19.06604 -40.34451 1.000 32.86374  ? 400 SER A N   1 
ATOM   692  C CA  . SER A 1 90  ? -37.58133 -18.47217 -40.95503 1.000 27.54294  ? 400 SER A CA  1 
ATOM   693  C C   . SER A 1 90  ? -38.39478 -17.69572 -39.91288 1.000 33.31067  ? 400 SER A C   1 
ATOM   694  O O   . SER A 1 90  ? -38.65683 -18.20059 -38.82112 1.000 33.53691  ? 400 SER A O   1 
ATOM   695  C CB  . SER A 1 90  ? -38.42291 -19.56734 -41.59727 1.000 30.16513  ? 400 SER A CB  1 
ATOM   696  O OG  . SER A 1 90  ? -39.63784 -19.03330 -42.06478 1.000 45.81872  ? 400 SER A OG  1 
ATOM   697  N N   . MET A 1 91  ? -38.77119 -16.45824 -40.22641 1.000 29.24030  ? 401 MET A N   1 
ATOM   698  C CA  . MET A 1 91  ? -39.58474 -15.65282 -39.31071 1.000 30.25546  ? 401 MET A CA  1 
ATOM   699  C C   . MET A 1 91  ? -40.70151 -14.93153 -40.04392 1.000 29.91173  ? 401 MET A C   1 
ATOM   700  O O   . MET A 1 91  ? -40.57463 -14.58532 -41.22169 1.000 35.27219  ? 401 MET A O   1 
ATOM   701  C CB  . MET A 1 91  ? -38.75875 -14.59706 -38.55803 1.000 30.66096  ? 401 MET A CB  1 
ATOM   702  C CG  . MET A 1 91  ? -37.53214 -15.13123 -37.89325 1.000 39.87133  ? 401 MET A CG  1 
ATOM   703  S SD  . MET A 1 91  ? -36.93425 -14.00116 -36.61919 1.000 55.02490  ? 401 MET A SD  1 
ATOM   704  C CE  . MET A 1 91  ? -38.31220 -12.90389 -36.36728 1.000 37.11107  ? 401 MET A CE  1 
ATOM   705  N N   . LEU A 1 92  ? -41.79723 -14.68172 -39.31757 1.000 35.70128  ? 402 LEU A N   1 
ATOM   706  C CA  . LEU A 1 92  ? -42.95958 -13.96241 -39.81904 1.000 29.50079  ? 402 LEU A CA  1 
ATOM   707  C C   . LEU A 1 92  ? -43.18921 -12.73578 -38.94218 1.000 37.33804  ? 402 LEU A C   1 
ATOM   708  O O   . LEU A 1 92  ? -43.42354 -12.86594 -37.73416 1.000 34.54001  ? 402 LEU A O   1 
ATOM   709  C CB  . LEU A 1 92  ? -44.18383 -14.87382 -39.80946 1.000 31.40978  ? 402 LEU A CB  1 
ATOM   710  C CG  . LEU A 1 92  ? -45.51736 -14.38542 -40.33031 1.000 39.89200  ? 402 LEU A CG  1 
ATOM   711  C CD1 . LEU A 1 92  ? -45.40901 -14.09905 -41.81294 1.000 33.34614  ? 402 LEU A CD1 1 
ATOM   712  C CD2 . LEU A 1 92  ? -46.61303 -15.42778 -40.02715 1.000 35.53661  ? 402 LEU A CD2 1 
ATOM   713  N N   . TYR A 1 93  ? -43.13326 -11.54945 -39.53972 1.000 31.29362  ? 403 TYR A N   1 
ATOM   714  C CA  . TYR A 1 93  ? -43.11506 -10.33796 -38.72828 1.000 30.36432  ? 403 TYR A CA  1 
ATOM   715  C C   . TYR A 1 93  ? -43.60149 -9.14768  -39.53000 1.000 40.84197  ? 403 TYR A C   1 
ATOM   716  O O   . TYR A 1 93  ? -43.58821 -9.15293  -40.76570 1.000 36.81818  ? 403 TYR A O   1 
ATOM   717  C CB  . TYR A 1 93  ? -41.71495 -10.04098 -38.19241 1.000 32.90976  ? 403 TYR A CB  1 
ATOM   718  C CG  . TYR A 1 93  ? -40.68451 -9.86478  -39.27434 1.000 34.93348  ? 403 TYR A CG  1 
ATOM   719  C CD1 . TYR A 1 93  ? -40.03633 -10.96062 -39.81787 1.000 34.25282  ? 403 TYR A CD1 1 
ATOM   720  C CD2 . TYR A 1 93  ? -40.37558 -8.61485  -39.76745 1.000 35.67845  ? 403 TYR A CD2 1 
ATOM   721  C CE1 . TYR A 1 93  ? -39.09874 -10.81957 -40.80810 1.000 41.81880  ? 403 TYR A CE1 1 
ATOM   722  C CE2 . TYR A 1 93  ? -39.41686 -8.46185  -40.76916 1.000 37.27067  ? 403 TYR A CE2 1 
ATOM   723  C CZ  . TYR A 1 93  ? -38.78958 -9.57222  -41.28586 1.000 44.68338  ? 403 TYR A CZ  1 
ATOM   724  O OH  . TYR A 1 93  ? -37.83112 -9.45244  -42.27543 1.000 48.06821  ? 403 TYR A OH  1 
ATOM   725  N N   . TYR A 1 94  ? -44.00254 -8.10759  -38.79122 1.000 37.74133  ? 404 TYR A N   1 
ATOM   726  C CA  . TYR A 1 94  ? -44.36870 -6.82618  -39.37884 1.000 42.41101  ? 404 TYR A CA  1 
ATOM   727  C C   . TYR A 1 94  ? -43.11073 -6.03200  -39.69265 1.000 36.81293  ? 404 TYR A C   1 
ATOM   728  O O   . TYR A 1 94  ? -42.19902 -5.94174  -38.86622 1.000 40.92193  ? 404 TYR A O   1 
ATOM   729  C CB  . TYR A 1 94  ? -45.25239 -6.03670  -38.41850 1.000 45.51606  ? 404 TYR A CB  1 
ATOM   730  C CG  . TYR A 1 94  ? -46.65256 -6.57082  -38.27556 1.000 43.70090  ? 404 TYR A CG  1 
ATOM   731  C CD1 . TYR A 1 94  ? -46.95121 -7.56475  -37.35235 1.000 34.83386  ? 404 TYR A CD1 1 
ATOM   732  C CD2 . TYR A 1 94  ? -47.68111 -6.06878  -39.05592 1.000 42.67935  ? 404 TYR A CD2 1 
ATOM   733  C CE1 . TYR A 1 94  ? -48.24604 -8.03962  -37.21724 1.000 35.84863  ? 404 TYR A CE1 1 
ATOM   734  C CE2 . TYR A 1 94  ? -48.96862 -6.53645  -38.93400 1.000 40.44954  ? 404 TYR A CE2 1 
ATOM   735  C CZ  . TYR A 1 94  ? -49.24785 -7.52113  -38.01667 1.000 45.87054  ? 404 TYR A CZ  1 
ATOM   736  O OH  . TYR A 1 94  ? -50.54444 -7.98050  -37.90633 1.000 50.13310  ? 404 TYR A OH  1 
ATOM   737  N N   . ASP A 1 95  ? -43.03467 -5.48395  -40.89586 1.000 52.57415  ? 405 ASP A N   1 
ATOM   738  C CA  . ASP A 1 95  ? -41.89541 -4.66629  -41.26837 1.000 53.94855  ? 405 ASP A CA  1 
ATOM   739  C C   . ASP A 1 95  ? -42.36832 -3.23670  -41.46822 1.000 57.34672  ? 405 ASP A C   1 
ATOM   740  O O   . ASP A 1 95  ? -43.48735 -2.99938  -41.92845 1.000 66.71873  ? 405 ASP A O   1 
ATOM   741  C CB  . ASP A 1 95  ? -41.22940 -5.15480  -42.55712 1.000 60.72233  ? 405 ASP A CB  1 
ATOM   742  C CG  . ASP A 1 95  ? -39.92892 -4.42228  -42.84523 1.000 85.06780  ? 405 ASP A CG  1 
ATOM   743  O OD1 . ASP A 1 95  ? -39.12788 -4.28250  -41.88973 1.000 68.60713  ? 405 ASP A OD1 1 
ATOM   744  O OD2 . ASP A 1 95  ? -39.72577 -3.95016  -43.99096 1.000 79.11503  ? 405 ASP A OD2 1 
ATOM   745  N N   . ASP A 1 96  ? -41.50575 -2.28770  -41.11925 1.000 57.48014  ? 406 ASP A N   1 
ATOM   746  C CA  . ASP A 1 96  ? -41.78768 -0.88679  -41.39419 1.000 69.82640  ? 406 ASP A CA  1 
ATOM   747  C C   . ASP A 1 96  ? -41.85729 -0.65484  -42.89843 1.000 77.55545  ? 406 ASP A C   1 
ATOM   748  O O   . ASP A 1 96  ? -40.84400 -0.76671  -43.60040 1.000 76.90022  ? 406 ASP A O   1 
ATOM   749  C CB  . ASP A 1 96  ? -40.72536 0.01232   -40.75583 1.000 73.82553  ? 406 ASP A CB  1 
ATOM   750  C CG  . ASP A 1 96  ? -41.28500 1.35820   -40.32902 1.000 104.33897 ? 406 ASP A CG  1 
ATOM   751  O OD1 . ASP A 1 96  ? -41.71965 1.48196   -39.16357 1.000 110.68504 ? 406 ASP A OD1 1 
ATOM   752  O OD2 . ASP A 1 96  ? -41.28851 2.29427   -41.15832 1.000 104.32433 ? 406 ASP A OD2 1 
ATOM   753  N N   . GLY A 1 97  ? -43.05113 -0.33777  -43.39941 1.000 65.33277  ? 407 GLY A N   1 
ATOM   754  C CA  . GLY A 1 97  ? -43.27363 -0.07883  -44.80369 1.000 81.41408  ? 407 GLY A CA  1 
ATOM   755  C C   . GLY A 1 97  ? -43.82460 -1.25450  -45.58353 1.000 87.98967  ? 407 GLY A C   1 
ATOM   756  O O   . GLY A 1 97  ? -44.47421 -1.04589  -46.61678 1.000 90.73904  ? 407 GLY A O   1 
ATOM   757  N N   . GLN A 1 98  ? -43.58927 -2.48118  -45.11060 1.000 85.26227  ? 408 GLN A N   1 
ATOM   758  C CA  . GLN A 1 98  ? -44.01311 -3.68915  -45.80326 1.000 81.19093  ? 408 GLN A CA  1 
ATOM   759  C C   . GLN A 1 98  ? -45.15965 -4.41660  -45.11081 1.000 67.82046  ? 408 GLN A C   1 
ATOM   760  O O   . GLN A 1 98  ? -45.83793 -5.22602  -45.75359 1.000 68.55957  ? 408 GLN A O   1 
ATOM   761  C CB  . GLN A 1 98  ? -42.81851 -4.64450  -45.94199 1.000 76.30681  ? 408 GLN A CB  1 
ATOM   762  C CG  . GLN A 1 98  ? -41.89401 -4.29373  -47.10033 1.000 92.84843  ? 408 GLN A CG  1 
ATOM   763  C CD  . GLN A 1 98  ? -41.19607 -5.50155  -47.69411 1.000 111.03049 ? 408 GLN A CD  1 
ATOM   764  O OE1 . GLN A 1 98  ? -41.62319 -6.03510  -48.71878 1.000 123.90682 ? 408 GLN A OE1 1 
ATOM   765  N NE2 . GLN A 1 98  ? -40.11402 -5.94026  -47.05199 1.000 96.99865  ? 408 GLN A NE2 1 
ATOM   766  N N   . ASN A 1 99  ? -45.40681 -4.12423  -43.83647 1.000 60.72142  ? 409 ASN A N   1 
ATOM   767  C CA  . ASN A 1 99  ? -46.33778 -4.87382  -42.98405 1.000 62.37291  ? 409 ASN A CA  1 
ATOM   768  C C   . ASN A 1 99  ? -45.84439 -6.31903  -42.94196 1.000 42.36558  ? 409 ASN A C   1 
ATOM   769  O O   . ASN A 1 99  ? -44.63430 -6.52209  -42.75347 1.000 55.11069  ? 409 ASN A O   1 
ATOM   770  C CB  . ASN A 1 99  ? -47.76797 -4.66445  -43.44799 1.000 70.44567  ? 409 ASN A CB  1 
ATOM   771  C CG  . ASN A 1 99  ? -48.41678 -3.48719  -42.75619 1.000 63.10419  ? 409 ASN A CG  1 
ATOM   772  O OD1 . ASN A 1 99  ? -47.95872 -2.35251  -42.90428 1.000 65.49538  ? 409 ASN A OD1 1 
ATOM   773  N ND2 . ASN A 1 99  ? -49.46079 -3.75055  -41.96329 1.000 57.77007  ? 409 ASN A ND2 1 
ATOM   774  N N   . ILE A 1 100 ? -46.69993 -7.32191  -43.12655 1.000 46.09432  ? 410 ILE A N   1 
ATOM   775  C CA  . ILE A 1 100 ? -46.35380 -8.68826  -42.74489 1.000 44.54676  ? 410 ILE A CA  1 
ATOM   776  C C   . ILE A 1 100 ? -45.42929 -9.31338  -43.78683 1.000 47.76872  ? 410 ILE A C   1 
ATOM   777  O O   . ILE A 1 100 ? -45.76886 -9.38143  -44.97317 1.000 49.92447  ? 410 ILE A O   1 
ATOM   778  C CB  . ILE A 1 100 ? -47.60974 -9.53624  -42.54891 1.000 40.08095  ? 410 ILE A CB  1 
ATOM   779  C CG1 . ILE A 1 100 ? -48.41456 -8.97510  -41.39071 1.000 39.50897  ? 410 ILE A CG1 1 
ATOM   780  C CG2 . ILE A 1 100 ? -47.21186 -10.98405 -42.24309 1.000 35.64185  ? 410 ILE A CG2 1 
ATOM   781  C CD1 . ILE A 1 100 ? -49.61532 -9.82201  -41.04026 1.000 45.45068  ? 410 ILE A CD1 1 
ATOM   782  N N   . ILE A 1 101 ? -44.26949 -9.78751  -43.33017 1.000 39.34366  ? 411 ILE A N   1 
ATOM   783  C CA  . ILE A 1 101 ? -43.21131 -10.37439 -44.15282 1.000 40.45644  ? 411 ILE A CA  1 
ATOM   784  C C   . ILE A 1 101 ? -42.84219 -11.75967 -43.63166 1.000 37.41002  ? 411 ILE A C   1 
ATOM   785  O O   . ILE A 1 101 ? -42.73519 -11.97170 -42.41671 1.000 40.90209  ? 411 ILE A O   1 
ATOM   786  C CB  . ILE A 1 101 ? -41.95271 -9.47457  -44.15312 1.000 44.35215  ? 411 ILE A CB  1 
ATOM   787  C CG1 . ILE A 1 101 ? -42.26414 -8.08181  -44.69543 1.000 54.67266  ? 411 ILE A CG1 1 
ATOM   788  C CG2 . ILE A 1 101 ? -40.80805 -10.13807 -44.90303 1.000 51.17417  ? 411 ILE A CG2 1 
ATOM   789  C CD1 . ILE A 1 101 ? -43.39073 -8.06598  -45.65608 1.000 61.01548  ? 411 ILE A CD1 1 
ATOM   790  N N   . LYS A 1 102 ? -42.56570 -12.68919 -44.54927 1.000 39.30576  ? 412 LYS A N   1 
ATOM   791  C CA  . LYS A 1 102 ? -41.98292 -13.97871 -44.19475 1.000 33.19325  ? 412 LYS A CA  1 
ATOM   792  C C   . LYS A 1 102 ? -40.62639 -14.07898 -44.87629 1.000 31.39128  ? 412 LYS A C   1 
ATOM   793  O O   . LYS A 1 102 ? -40.51113 -13.76761 -46.06529 1.000 47.29961  ? 412 LYS A O   1 
ATOM   794  C CB  . LYS A 1 102 ? -42.88206 -15.15886 -44.60586 1.000 34.31987  ? 412 LYS A CB  1 
ATOM   795  C CG  . LYS A 1 102 ? -42.18293 -16.52365 -44.47733 1.000 50.72492  ? 412 LYS A CG  1 
ATOM   796  C CD  . LYS A 1 102 ? -43.16939 -17.70670 -44.36179 1.000 58.73249  ? 412 LYS A CD  1 
ATOM   797  C CE  . LYS A 1 102 ? -42.55313 -19.03177 -44.85887 1.000 79.60076  ? 412 LYS A CE  1 
ATOM   798  N NZ  . LYS A 1 102 ? -42.89563 -19.40073 -46.27161 1.000 62.96964  ? 412 LYS A NZ  1 
ATOM   799  N N   . LYS A 1 103 ? -39.60510 -14.48887 -44.12823 1.000 38.25433  ? 413 LYS A N   1 
ATOM   800  C CA  . LYS A 1 103 ? -38.23193 -14.34435 -44.60686 1.000 43.85072  ? 413 LYS A CA  1 
ATOM   801  C C   . LYS A 1 103 ? -37.27875 -15.12719 -43.70797 1.000 47.90888  ? 413 LYS A C   1 
ATOM   802  O O   . LYS A 1 103 ? -37.47367 -15.17878 -42.48918 1.000 47.21300  ? 413 LYS A O   1 
ATOM   803  C CB  . LYS A 1 103 ? -37.85254 -12.85360 -44.63398 1.000 42.24411  ? 413 LYS A CB  1 
ATOM   804  C CG  . LYS A 1 103 ? -36.55048 -12.50364 -45.30160 1.000 60.76784  ? 413 LYS A CG  1 
ATOM   805  C CD  . LYS A 1 103 ? -36.10047 -11.11435 -44.86621 1.000 58.66817  ? 413 LYS A CD  1 
ATOM   806  C CE  . LYS A 1 103 ? -34.85276 -10.68614 -45.61667 1.000 77.36687  ? 413 LYS A CE  1 
ATOM   807  N NZ  . LYS A 1 103 ? -33.65512 -10.68159 -44.71679 1.000 79.71885  ? 413 LYS A NZ  1 
ATOM   808  N N   . ASP A 1 104 ? -36.23780 -15.72364 -44.31060 1.000 38.82958  ? 414 ASP A N   1 
ATOM   809  C CA  . ASP A 1 104 ? -35.15187 -16.31951 -43.52779 1.000 39.91948  ? 414 ASP A CA  1 
ATOM   810  C C   . ASP A 1 104 ? -34.22248 -15.21823 -43.03177 1.000 41.25833  ? 414 ASP A C   1 
ATOM   811  O O   . ASP A 1 104 ? -33.65903 -14.46669 -43.83246 1.000 46.11066  ? 414 ASP A O   1 
ATOM   812  C CB  . ASP A 1 104 ? -34.34852 -17.33256 -44.34270 1.000 33.58235  ? 414 ASP A CB  1 
ATOM   813  C CG  . ASP A 1 104 ? -35.16595 -18.52992 -44.75509 1.000 44.28735  ? 414 ASP A CG  1 
ATOM   814  O OD1 . ASP A 1 104 ? -36.37947 -18.53632 -44.47807 1.000 49.07315  ? 414 ASP A OD1 1 
ATOM   815  O OD2 . ASP A 1 104 ? -34.58938 -19.46852 -45.34109 1.000 65.97361  ? 414 ASP A OD2 1 
ATOM   816  N N   . ILE A 1 105 ? -34.06095 -15.11544 -41.72466 1.000 36.87541  ? 415 ILE A N   1 
ATOM   817  C CA  . ILE A 1 105 ? -33.15455 -14.14247 -41.13569 1.000 39.97998  ? 415 ILE A CA  1 
ATOM   818  C C   . ILE A 1 105 ? -31.84581 -14.84782 -40.82326 1.000 44.43374  ? 415 ILE A C   1 
ATOM   819  O O   . ILE A 1 105 ? -31.83795 -15.98835 -40.34187 1.000 34.53207  ? 415 ILE A O   1 
ATOM   820  C CB  . ILE A 1 105 ? -33.76955 -13.50218 -39.87584 1.000 31.84849  ? 415 ILE A CB  1 
ATOM   821  C CG1 . ILE A 1 105 ? -35.20613 -13.03268 -40.14211 1.000 33.83374  ? 415 ILE A CG1 1 
ATOM   822  C CG2 . ILE A 1 105 ? -32.87796 -12.39147 -39.35507 1.000 40.10131  ? 415 ILE A CG2 1 
ATOM   823  C CD1 . ILE A 1 105 ? -35.32394 -11.64096 -40.71551 1.000 41.25743  ? 415 ILE A CD1 1 
ATOM   824  N N   . GLN A 1 106 ? -30.73456 -14.17954 -41.08929 1.000 36.11978  ? 416 GLN A N   1 
ATOM   825  C CA  . GLN A 1 106 ? -29.45441 -14.84374 -40.95707 1.000 33.42371  ? 416 GLN A CA  1 
ATOM   826  C C   . GLN A 1 106 ? -28.90029 -14.63869 -39.55639 1.000 31.27158  ? 416 GLN A C   1 
ATOM   827  O O   . GLN A 1 106 ? -29.29108 -13.70794 -38.83971 1.000 38.07616  ? 416 GLN A O   1 
ATOM   828  C CB  . GLN A 1 106 ? -28.47752 -14.32440 -42.00521 1.000 47.40611  ? 416 GLN A CB  1 
ATOM   829  C CG  . GLN A 1 106 ? -28.97413 -14.59072 -43.40909 1.000 46.76016  ? 416 GLN A CG  1 
ATOM   830  C CD  . GLN A 1 106 ? -28.61274 -15.98377 -43.87604 1.000 58.55998  ? 416 GLN A CD  1 
ATOM   831  O OE1 . GLN A 1 106 ? -27.59495 -16.54899 -43.46560 1.000 62.32862  ? 416 GLN A OE1 1 
ATOM   832  N NE2 . GLN A 1 106 ? -29.46921 -16.56404 -44.71642 1.000 58.54472  ? 416 GLN A NE2 1 
ATOM   833  N N   . ASN A 1 107 ? -28.01828 -15.55414 -39.15644 1.000 34.40460  ? 417 ASN A N   1 
ATOM   834  C CA  . ASN A 1 107 ? -27.26908 -15.44196 -37.90226 1.000 37.90487  ? 417 ASN A CA  1 
ATOM   835  C C   . ASN A 1 107 ? -28.21450 -15.30424 -36.71537 1.000 34.19817  ? 417 ASN A C   1 
ATOM   836  O O   . ASN A 1 107 ? -28.13182 -14.36092 -35.92677 1.000 43.30233  ? 417 ASN A O   1 
ATOM   837  C CB  . ASN A 1 107 ? -26.28824 -14.26785 -37.96445 1.000 43.75990  ? 417 ASN A CB  1 
ATOM   838  C CG  . ASN A 1 107 ? -25.42391 -14.30733 -39.20534 1.000 47.85844  ? 417 ASN A CG  1 
ATOM   839  O OD1 . ASN A 1 107 ? -25.02325 -15.38820 -39.67326 1.000 39.75722  ? 417 ASN A OD1 1 
ATOM   840  N ND2 . ASN A 1 107 ? -25.15898 -13.13281 -39.77208 1.000 52.03098  ? 417 ASN A ND2 1 
ATOM   841  N N   . MET A 1 108 ? -29.13990 -16.25637 -36.61035 1.000 37.62347  ? 418 MET A N   1 
ATOM   842  C CA  . MET A 1 108 ? -30.13538 -16.34235 -35.54843 1.000 25.09316  ? 418 MET A CA  1 
ATOM   843  C C   . MET A 1 108 ? -29.74629 -17.33449 -34.46985 1.000 25.66391  ? 418 MET A C   1 
ATOM   844  O O   . MET A 1 108 ? -29.94315 -17.07755 -33.27193 1.000 32.35048  ? 418 MET A O   1 
ATOM   845  C CB  . MET A 1 108 ? -31.45857 -16.81647 -36.13957 1.000 35.01545  ? 418 MET A CB  1 
ATOM   846  C CG  . MET A 1 108 ? -32.20695 -15.85215 -36.97768 1.000 36.81624  ? 418 MET A CG  1 
ATOM   847  S SD  . MET A 1 108 ? -32.48059 -14.26043 -36.25177 1.000 51.97075  ? 418 MET A SD  1 
ATOM   848  C CE  . MET A 1 108 ? -34.16813 -14.62953 -35.82977 1.000 31.16409  ? 418 MET A CE  1 
ATOM   849  N N   . ILE A 1 109 ? -29.24647 -18.48520 -34.91012 1.000 22.37165  ? 419 ILE A N   1 
ATOM   850  C CA  . ILE A 1 109 ? -28.98215 -19.65097 -34.08541 1.000 22.10882  ? 419 ILE A CA  1 
ATOM   851  C C   . ILE A 1 109 ? -27.48207 -19.90697 -34.07414 1.000 26.86630  ? 419 ILE A C   1 
ATOM   852  O O   . ILE A 1 109 ? -26.87475 -20.05790 -35.13874 1.000 26.84240  ? 419 ILE A O   1 
ATOM   853  C CB  . ILE A 1 109 ? -29.74925 -20.86552 -34.63984 1.000 21.59172  ? 419 ILE A CB  1 
ATOM   854  C CG1 . ILE A 1 109 ? -31.25355 -20.60552 -34.57179 1.000 25.43090  ? 419 ILE A CG1 1 
ATOM   855  C CG2 . ILE A 1 109 ? -29.34426 -22.14446 -33.91209 1.000 22.78371  ? 419 ILE A CG2 1 
ATOM   856  C CD1 . ILE A 1 109 ? -32.11135 -21.25124 -35.69139 1.000 21.20290  ? 419 ILE A CD1 1 
ATOM   857  N N   . VAL A 1 110 ? -26.88724 -20.00106 -32.88034 1.000 24.06186  ? 420 VAL A N   1 
ATOM   858  C CA  . VAL A 1 110 ? -25.48358 -20.38680 -32.76066 1.000 28.45342  ? 420 VAL A CA  1 
ATOM   859  C C   . VAL A 1 110 ? -25.35266 -21.89358 -32.96575 1.000 30.05706  ? 420 VAL A C   1 
ATOM   860  O O   . VAL A 1 110 ? -25.96754 -22.69599 -32.24878 1.000 28.27901  ? 420 VAL A O   1 
ATOM   861  C CB  . VAL A 1 110 ? -24.89810 -19.96549 -31.40402 1.000 20.93737  ? 420 VAL A CB  1 
ATOM   862  C CG1 . VAL A 1 110 ? -23.46965 -20.52113 -31.23296 1.000 22.27229  ? 420 VAL A CG1 1 
ATOM   863  C CG2 . VAL A 1 110 ? -24.91485 -18.44366 -31.29229 1.000 19.15625  ? 420 VAL A CG2 1 
ATOM   864  N N   . GLU A 1 111 ? -24.53929 -22.28445 -33.94332 1.000 25.89401  ? 421 GLU A N   1 
ATOM   865  C CA  . GLU A 1 111 ? -24.26371 -23.68649 -34.24347 1.000 24.82682  ? 421 GLU A CA  1 
ATOM   866  C C   . GLU A 1 111 ? -22.95795 -24.17144 -33.62190 1.000 30.99302  ? 421 GLU A C   1 
ATOM   867  O O   . GLU A 1 111 ? -22.91138 -25.27135 -33.06030 1.000 30.16566  ? 421 GLU A O   1 
ATOM   868  C CB  . GLU A 1 111 ? -24.20842 -23.87430 -35.76728 1.000 36.58267  ? 421 GLU A CB  1 
ATOM   869  C CG  . GLU A 1 111 ? -24.31841 -25.30436 -36.28317 1.000 54.47724  ? 421 GLU A CG  1 
ATOM   870  C CD  . GLU A 1 111 ? -25.30912 -25.41317 -37.44850 1.000 98.95517  ? 421 GLU A CD  1 
ATOM   871  O OE1 . GLU A 1 111 ? -25.04619 -24.82147 -38.52214 1.000 98.59382  ? 421 GLU A OE1 1 
ATOM   872  O OE2 . GLU A 1 111 ? -26.37186 -26.05296 -37.28116 1.000 102.17430 ? 421 GLU A OE2 1 
ATOM   873  N N   A GLU A 1 112 ? -21.88615 -23.37617 -33.70065 0.516 25.16160  ? 422 GLU A N   1 
ATOM   874  N N   B GLU A 1 112 ? -21.89569 -23.37476 -33.71604 0.484 25.17730  ? 422 GLU A N   1 
ATOM   875  C CA  A GLU A 1 112 ? -20.56810 -23.76559 -33.21305 0.516 25.23650  ? 422 GLU A CA  1 
ATOM   876  C CA  B GLU A 1 112 ? -20.60552 -23.73354 -33.15712 0.484 25.16453  ? 422 GLU A CA  1 
ATOM   877  C C   A GLU A 1 112 ? -19.88800 -22.56823 -32.55340 0.516 21.25965  ? 422 GLU A C   1 
ATOM   878  C C   B GLU A 1 112 ? -20.00158 -22.53086 -32.44895 0.484 21.22926  ? 422 GLU A C   1 
ATOM   879  O O   A GLU A 1 112 ? -20.00989 -21.43698 -33.03654 0.516 21.40602  ? 422 GLU A O   1 
ATOM   880  O O   B GLU A 1 112 ? -20.26375 -21.37506 -32.80411 0.484 21.25598  ? 422 GLU A O   1 
ATOM   881  C CB  A GLU A 1 112 ? -19.69551 -24.33018 -34.36908 0.516 27.64859  ? 422 GLU A CB  1 
ATOM   882  C CB  B GLU A 1 112 ? -19.63174 -24.23939 -34.23875 0.484 27.80109  ? 422 GLU A CB  1 
ATOM   883  C CG  A GLU A 1 112 ? -18.23924 -24.63399 -34.00224 0.516 32.51288  ? 422 GLU A CG  1 
ATOM   884  C CG  B GLU A 1 112 ? -20.23453 -25.24134 -35.19594 0.484 28.18465  ? 422 GLU A CG  1 
ATOM   885  C CD  A GLU A 1 112 ? -17.45091 -25.33733 -35.11581 0.516 39.78177  ? 422 GLU A CD  1 
ATOM   886  C CD  B GLU A 1 112 ? -20.06279 -26.66738 -34.73567 0.484 40.15077  ? 422 GLU A CD  1 
ATOM   887  O OE1 A GLU A 1 112 ? -17.40863 -24.82017 -36.25600 0.516 40.63455  ? 422 GLU A OE1 1 
ATOM   888  O OE1 B GLU A 1 112 ? -18.92204 -27.16994 -34.80733 0.484 58.32073  ? 422 GLU A OE1 1 
ATOM   889  O OE2 A GLU A 1 112 ? -16.84810 -26.40011 -34.84026 0.516 30.15200  ? 422 GLU A OE2 1 
ATOM   890  O OE2 B GLU A 1 112 ? -21.06384 -27.29208 -34.31573 0.484 33.78139  ? 422 GLU A OE2 1 
ATOM   891  N N   . CYS A 1 113 ? -19.17975 -22.82782 -31.44553 1.000 20.28620  ? 423 CYS A N   1 
ATOM   892  C CA  . CYS A 1 113 ? -18.43338 -21.83757 -30.67216 1.000 22.81250  ? 423 CYS A CA  1 
ATOM   893  C C   . CYS A 1 113 ? -16.92238 -22.04939 -30.82986 1.000 19.15509  ? 423 CYS A C   1 
ATOM   894  O O   . CYS A 1 113 ? -16.45384 -23.17658 -31.03467 1.000 20.56919  ? 423 CYS A O   1 
ATOM   895  C CB  . CYS A 1 113 ? -18.80532 -21.95304 -29.15978 1.000 20.44410  ? 423 CYS A CB  1 
ATOM   896  S SG  . CYS A 1 113 ? -20.55371 -21.65213 -28.75240 1.000 24.21451  ? 423 CYS A SG  1 
ATOM   897  N N   . GLY A 1 114 ? -16.14296 -20.97849 -30.65902 1.000 18.74498  ? 424 GLY A N   1 
ATOM   898  C CA  . GLY A 1 114 ? -14.69322 -21.08300 -30.76384 1.000 20.98996  ? 424 GLY A CA  1 
ATOM   899  C C   . GLY A 1 114 ? -14.03038 -19.87133 -30.14152 1.000 26.25105  ? 424 GLY A C   1 
ATOM   900  O O   . GLY A 1 114 ? -14.68902 -18.91622 -29.72089 1.000 23.04890  ? 424 GLY A O   1 
ATOM   901  N N   . CYS A 1 115 ? -12.70482 -19.90335 -30.11627 1.000 22.27120  ? 425 CYS A N   1 
ATOM   902  C CA  . CYS A 1 115 ? -11.91552 -18.84345 -29.51204 1.000 25.90572  ? 425 CYS A CA  1 
ATOM   903  C C   . CYS A 1 115 ? -11.39138 -17.95194 -30.60924 1.000 25.28224  ? 425 CYS A C   1 
ATOM   904  O O   . CYS A 1 115 ? -10.86748 -18.44816 -31.60778 1.000 26.10127  ? 425 CYS A O   1 
ATOM   905  C CB  . CYS A 1 115 ? -10.76426 -19.42798 -28.69911 1.000 29.83180  ? 425 CYS A CB  1 
ATOM   906  S SG  . CYS A 1 115 ? -11.38460 -20.20859 -27.24055 1.000 27.63206  ? 425 CYS A SG  1 
ATOM   907  N N   . SER A 1 116 ? -11.56392 -16.64456 -30.44491 1.000 29.16781  ? 426 SER A N   1 
ATOM   908  C CA  . SER A 1 116 ? -11.13233 -15.70357 -31.47441 1.000 31.90527  ? 426 SER A CA  1 
ATOM   909  C C   . SER A 1 116 ? -9.60908  -15.62208 -31.55837 1.000 45.19815  ? 426 SER A C   1 
ATOM   910  O O   . SER A 1 116 ? -8.90237  -16.00227 -30.60941 1.000 32.27654  ? 426 SER A O   1 
ATOM   911  C CB  . SER A 1 116 ? -11.68149 -14.32078 -31.18828 1.000 29.40675  ? 426 SER A CB  1 
ATOM   912  O OG  . SER A 1 116 ? -11.16534 -13.90549 -29.93732 1.000 32.24199  ? 426 SER A OG  1 
ATOM   913  O OXT . SER A 1 116 ? -9.06023  -15.15281 -32.56373 1.000 41.72152  ? 426 SER A OXT 1 
ATOM   914  N N   . GLY B 1 1   ? -19.83943 -3.49430  -41.24841 1.000 50.55628  ? 311 GLY B N   1 
ATOM   915  C CA  . GLY B 1 1   ? -18.71192 -3.17365  -40.39371 1.000 51.63166  ? 311 GLY B CA  1 
ATOM   916  C C   . GLY B 1 1   ? -18.06677 -1.83248  -40.69043 1.000 60.09709  ? 311 GLY B C   1 
ATOM   917  O O   . GLY B 1 1   ? -18.41176 -1.15902  -41.66252 1.000 74.62238  ? 311 GLY B O   1 
ATOM   918  N N   . LEU B 1 2   ? -17.13888 -1.43710  -39.82379 1.000 46.80969  ? 312 LEU B N   1 
ATOM   919  C CA  . LEU B 1 2   ? -16.28676 -0.27526  -40.01505 1.000 47.79136  ? 312 LEU B CA  1 
ATOM   920  C C   . LEU B 1 2   ? -14.88799 -0.73358  -40.37365 1.000 51.86824  ? 312 LEU B C   1 
ATOM   921  O O   . LEU B 1 2   ? -14.49700 -1.87043  -40.10134 1.000 41.76695  ? 312 LEU B O   1 
ATOM   922  C CB  . LEU B 1 2   ? -16.20701 0.58472   -38.75036 1.000 54.97543  ? 312 LEU B CB  1 
ATOM   923  C CG  . LEU B 1 2   ? -17.50846 1.12325   -38.18484 1.000 52.72675  ? 312 LEU B CG  1 
ATOM   924  C CD1 . LEU B 1 2   ? -17.20427 2.01785   -37.00532 1.000 67.24502  ? 312 LEU B CD1 1 
ATOM   925  C CD2 . LEU B 1 2   ? -18.21183 1.89022   -39.28351 1.000 56.96345  ? 312 LEU B CD2 1 
ATOM   926  N N   . GLU B 1 3   ? -14.12770 0.17885   -40.96073 1.000 46.26100  ? 313 GLU B N   1 
ATOM   927  C CA  . GLU B 1 3   ? -12.71008 -0.02347  -41.21556 1.000 49.38472  ? 313 GLU B CA  1 
ATOM   928  C C   . GLU B 1 3   ? -11.91032 0.92787   -40.33969 1.000 49.35528  ? 313 GLU B C   1 
ATOM   929  O O   . GLU B 1 3   ? -12.16690 2.13510   -40.33324 1.000 47.92868  ? 313 GLU B O   1 
ATOM   930  C CB  . GLU B 1 3   ? -12.38279 0.18818   -42.69625 1.000 58.31114  ? 313 GLU B CB  1 
ATOM   931  C CG  . GLU B 1 3   ? -13.28747 -0.63435  -43.61088 1.000 75.82389  ? 313 GLU B CG  1 
ATOM   932  C CD  . GLU B 1 3   ? -13.03323 -0.38170  -45.08120 1.000 97.61610  ? 313 GLU B CD  1 
ATOM   933  O OE1 . GLU B 1 3   ? -13.70865 -1.02622  -45.91368 1.000 101.21536 ? 313 GLU B OE1 1 
ATOM   934  O OE2 . GLU B 1 3   ? -12.15536 0.44974   -45.40313 1.000 94.26901  ? 313 GLU B OE2 1 
ATOM   935  N N   . CYS B 1 4   ? -10.96139 0.37988   -39.58502 1.000 43.61479  ? 314 CYS B N   1 
ATOM   936  C CA  . CYS B 1 4   ? -10.12370 1.21148   -38.73863 1.000 46.56070  ? 314 CYS B CA  1 
ATOM   937  C C   . CYS B 1 4   ? -9.44910  2.27987   -39.57770 1.000 48.15041  ? 314 CYS B C   1 
ATOM   938  O O   . CYS B 1 4   ? -9.03823  2.03320   -40.71414 1.000 53.89208  ? 314 CYS B O   1 
ATOM   939  C CB  . CYS B 1 4   ? -9.06991  0.37508   -38.02451 1.000 45.33686  ? 314 CYS B CB  1 
ATOM   940  S SG  . CYS B 1 4   ? -9.74542  -0.99889  -37.10457 1.000 46.30590  ? 314 CYS B SG  1 
ATOM   941  N N   . ASP B 1 5   ? -9.35008  3.47992   -39.00497 1.000 49.29779  ? 315 ASP B N   1 
ATOM   942  C CA  . ASP B 1 5   ? -8.71444  4.60550   -39.67094 1.000 43.34521  ? 315 ASP B CA  1 
ATOM   943  C C   . ASP B 1 5   ? -7.84468  5.40524   -38.71654 1.000 46.21009  ? 315 ASP B C   1 
ATOM   944  O O   . ASP B 1 5   ? -7.53065  6.56043   -39.02259 1.000 53.20776  ? 315 ASP B O   1 
ATOM   945  C CB  . ASP B 1 5   ? -9.76550  5.52476   -40.27810 1.000 48.67098  ? 315 ASP B CB  1 
ATOM   946  C CG  . ASP B 1 5   ? -10.67256 6.14496   -39.21814 1.000 58.74404  ? 315 ASP B CG  1 
ATOM   947  O OD1 . ASP B 1 5   ? -11.58159 6.92587   -39.57706 1.000 54.43747  ? 315 ASP B OD1 1 
ATOM   948  O OD2 . ASP B 1 5   ? -10.46867 5.84780   -38.01956 1.000 57.97634  ? 315 ASP B OD2 1 
ATOM   949  N N   . GLY B 1 6   ? -7.48604  4.84907   -37.55472 1.000 56.83456  ? 316 GLY B N   1 
ATOM   950  C CA  . GLY B 1 6   ? -6.67495  5.54732   -36.57024 1.000 45.26877  ? 316 GLY B CA  1 
ATOM   951  C C   . GLY B 1 6   ? -7.39861  6.59659   -35.74895 1.000 68.93628  ? 316 GLY B C   1 
ATOM   952  O O   . GLY B 1 6   ? -6.77057  7.22376   -34.88439 1.000 60.64384  ? 316 GLY B O   1 
ATOM   953  N N   . LYS B 1 7   ? -8.68419  6.82550   -35.99547 1.000 49.70757  ? 317 LYS B N   1 
ATOM   954  C CA  . LYS B 1 7   ? -9.46747  7.76761   -35.20959 1.000 54.04470  ? 317 LYS B CA  1 
ATOM   955  C C   . LYS B 1 7   ? -10.63992 7.11158   -34.50641 1.000 54.70872  ? 317 LYS B C   1 
ATOM   956  O O   . LYS B 1 7   ? -10.97626 7.49280   -33.38204 1.000 53.20971  ? 317 LYS B O   1 
ATOM   957  C CB  . LYS B 1 7   ? -10.00663 8.91435   -36.08810 1.000 52.65557  ? 317 LYS B CB  1 
ATOM   958  C CG  . LYS B 1 7   ? -8.95892  9.90540   -36.57445 1.000 75.13589  ? 317 LYS B CG  1 
ATOM   959  C CD  . LYS B 1 7   ? -8.98517  10.05287  -38.09137 1.000 72.88738  ? 317 LYS B CD  1 
ATOM   960  C CE  . LYS B 1 7   ? -10.28732 10.71688  -38.54216 1.000 54.85213  ? 317 LYS B CE  1 
ATOM   961  N NZ  . LYS B 1 7   ? -10.25290 11.14762  -39.96842 1.000 76.52377  ? 317 LYS B NZ  1 
ATOM   962  N N   . VAL B 1 8   ? -11.29759 6.16600   -35.14892 1.000 48.21468  ? 318 VAL B N   1 
ATOM   963  C CA  . VAL B 1 8   ? -12.46066 5.53995   -34.55387 1.000 47.94844  ? 318 VAL B CA  1 
ATOM   964  C C   . VAL B 1 8   ? -11.98180 4.49978   -33.55346 1.000 66.05979  ? 318 VAL B C   1 
ATOM   965  O O   . VAL B 1 8   ? -10.99028 3.79610   -33.79158 1.000 50.91903  ? 318 VAL B O   1 
ATOM   966  C CB  . VAL B 1 8   ? -13.36655 4.93277   -35.64423 1.000 50.55871  ? 318 VAL B CB  1 
ATOM   967  C CG1 . VAL B 1 8   ? -12.72323 3.68691   -36.26521 1.000 48.25633  ? 318 VAL B CG1 1 
ATOM   968  C CG2 . VAL B 1 8   ? -14.73616 4.58555   -35.07005 1.000 44.60360  ? 318 VAL B CG2 1 
ATOM   969  N N   . ASN B 1 9   ? -12.66977 4.42187   -32.41070 1.000 56.82239  ? 319 ASN B N   1 
ATOM   970  C CA  . ASN B 1 9   ? -12.30691 3.48026   -31.36000 1.000 65.14792  ? 319 ASN B CA  1 
ATOM   971  C C   . ASN B 1 9   ? -13.16307 2.22612   -31.33059 1.000 57.41847  ? 319 ASN B C   1 
ATOM   972  O O   . ASN B 1 9   ? -12.74404 1.22661   -30.73893 1.000 55.40520  ? 319 ASN B O   1 
ATOM   973  C CB  . ASN B 1 9   ? -12.38970 4.14689   -29.98414 1.000 66.09621  ? 319 ASN B CB  1 
ATOM   974  C CG  . ASN B 1 9   ? -11.30237 5.16658   -29.77228 1.000 75.38010  ? 319 ASN B CG  1 
ATOM   975  O OD1 . ASN B 1 9   ? -11.39089 6.29298   -30.25801 1.000 81.57331  ? 319 ASN B OD1 1 
ATOM   976  N ND2 . ASN B 1 9   ? -10.24455 4.76538   -29.07333 1.000 76.95434  ? 319 ASN B ND2 1 
ATOM   977  N N   . ILE B 1 10  ? -14.34587 2.23481   -31.93132 1.000 44.91075  ? 320 ILE B N   1 
ATOM   978  C CA  . ILE B 1 10  ? -15.16788 1.03709   -31.84434 1.000 54.04749  ? 320 ILE B CA  1 
ATOM   979  C C   . ILE B 1 10  ? -14.68706 -0.01810  -32.84026 1.000 49.83360  ? 320 ILE B C   1 
ATOM   980  O O   . ILE B 1 10  ? -13.87352 0.26436   -33.72886 1.000 48.46442  ? 320 ILE B O   1 
ATOM   981  C CB  . ILE B 1 10  ? -16.66280 1.36936   -32.01702 1.000 48.79086  ? 320 ILE B CB  1 
ATOM   982  C CG1 . ILE B 1 10  ? -16.87631 2.51377   -33.00582 1.000 38.88041  ? 320 ILE B CG1 1 
ATOM   983  C CG2 . ILE B 1 10  ? -17.26434 1.75696   -30.67264 1.000 63.09233  ? 320 ILE B CG2 1 
ATOM   984  C CD1 . ILE B 1 10  ? -18.37572 2.67605   -33.41026 1.000 44.73238  ? 320 ILE B CD1 1 
ATOM   985  N N   . CYS B 1 11  ? -15.17233 -1.24527  -32.65972 1.000 43.83453  ? 321 CYS B N   1 
ATOM   986  C CA  . CYS B 1 11  ? -14.79787 -2.43540  -33.41420 1.000 44.54293  ? 321 CYS B CA  1 
ATOM   987  C C   . CYS B 1 11  ? -14.73345 -2.16266  -34.91160 1.000 50.46923  ? 321 CYS B C   1 
ATOM   988  O O   . CYS B 1 11  ? -15.74112 -1.79599  -35.53442 1.000 42.64410  ? 321 CYS B O   1 
ATOM   989  C CB  . CYS B 1 11  ? -15.82403 -3.53769  -33.11632 1.000 55.08876  ? 321 CYS B CB  1 
ATOM   990  S SG  . CYS B 1 11  ? -15.57097 -5.13758  -33.91881 1.000 46.84907  ? 321 CYS B SG  1 
ATOM   991  N N   . CYS B 1 12  ? -13.54831 -2.35701  -35.49363 1.000 35.76186  ? 322 CYS B N   1 
ATOM   992  C CA  . CYS B 1 12  ? -13.32906 -2.10996  -36.91214 1.000 47.98066  ? 322 CYS B CA  1 
ATOM   993  C C   . CYS B 1 12  ? -12.38135 -3.15547  -37.49756 1.000 45.26693  ? 322 CYS B C   1 
ATOM   994  O O   . CYS B 1 12  ? -11.70349 -3.89072  -36.77254 1.000 35.95481  ? 322 CYS B O   1 
ATOM   995  C CB  . CYS B 1 12  ? -12.77136 -0.70811  -37.13502 1.000 37.04608  ? 322 CYS B CB  1 
ATOM   996  S SG  . CYS B 1 12  ? -11.35890 -0.25865  -36.08280 1.000 46.76642  ? 322 CYS B SG  1 
ATOM   997  N N   . LYS B 1 13  ? -12.32884 -3.20142  -38.83422 1.000 44.07298  ? 323 LYS B N   1 
ATOM   998  C CA  . LYS B 1 13  ? -11.40196 -4.06813  -39.56953 1.000 54.35826  ? 323 LYS B CA  1 
ATOM   999  C C   . LYS B 1 13  ? -10.06102 -3.37637  -39.80249 1.000 45.95619  ? 323 LYS B C   1 
ATOM   1000 O O   . LYS B 1 13  ? -10.00818 -2.28761  -40.38854 1.000 52.68063  ? 323 LYS B O   1 
ATOM   1001 C CB  . LYS B 1 13  ? -11.98546 -4.47893  -40.92255 1.000 43.49164  ? 323 LYS B CB  1 
ATOM   1002 C CG  . LYS B 1 13  ? -11.17014 -5.56363  -41.60445 1.000 46.57968  ? 323 LYS B CG  1 
ATOM   1003 C CD  . LYS B 1 13  ? -11.83079 -6.05656  -42.88120 1.000 48.75210  ? 323 LYS B CD  1 
ATOM   1004 C CE  . LYS B 1 13  ? -12.30845 -4.90563  -43.73706 1.000 62.51519  ? 323 LYS B CE  1 
ATOM   1005 N NZ  . LYS B 1 13  ? -12.79192 -5.41403  -45.04962 1.000 62.81702  ? 323 LYS B NZ  1 
ATOM   1006 N N   . LYS B 1 14  ? -8.97748  -4.02190  -39.38291 1.000 42.07304  ? 324 LYS B N   1 
ATOM   1007 C CA  . LYS B 1 14  ? -7.62183  -3.55394  -39.65751 1.000 41.14130  ? 324 LYS B CA  1 
ATOM   1008 C C   . LYS B 1 14  ? -7.06844  -4.28612  -40.87009 1.000 48.18846  ? 324 LYS B C   1 
ATOM   1009 O O   . LYS B 1 14  ? -7.09442  -5.51912  -40.91500 1.000 37.93985  ? 324 LYS B O   1 
ATOM   1010 C CB  . LYS B 1 14  ? -6.69567  -3.79970  -38.46306 1.000 41.55244  ? 324 LYS B CB  1 
ATOM   1011 C CG  . LYS B 1 14  ? -6.80352  -2.81132  -37.32763 1.000 56.04049  ? 324 LYS B CG  1 
ATOM   1012 C CD  . LYS B 1 14  ? -5.61093  -1.88082  -37.31200 1.000 67.41082  ? 324 LYS B CD  1 
ATOM   1013 C CE  . LYS B 1 14  ? -5.69011  -0.90109  -36.14786 1.000 79.08640  ? 324 LYS B CE  1 
ATOM   1014 N NZ  . LYS B 1 14  ? -4.33141  -0.44297  -35.70773 1.000 77.99523  ? 324 LYS B NZ  1 
ATOM   1015 N N   . GLN B 1 15  ? -6.55375  -3.53680  -41.83725 1.000 46.92050  ? 325 GLN B N   1 
ATOM   1016 C CA  . GLN B 1 15  ? -5.87028  -4.16788  -42.95631 1.000 41.80744  ? 325 GLN B CA  1 
ATOM   1017 C C   . GLN B 1 15  ? -4.54961  -4.73815  -42.48274 1.000 36.59960  ? 325 GLN B C   1 
ATOM   1018 O O   . GLN B 1 15  ? -3.81657  -4.09914  -41.72441 1.000 47.68674  ? 325 GLN B O   1 
ATOM   1019 C CB  . GLN B 1 15  ? -5.62327  -3.17048  -44.09355 1.000 51.80050  ? 325 GLN B CB  1 
ATOM   1020 C CG  . GLN B 1 15  ? -6.89001  -2.56000  -44.66205 1.000 69.22301  ? 325 GLN B CG  1 
ATOM   1021 C CD  . GLN B 1 15  ? -7.62320  -3.49462  -45.61098 1.000 82.99326  ? 325 GLN B CD  1 
ATOM   1022 O OE1 . GLN B 1 15  ? -7.05837  -3.95220  -46.60638 1.000 77.38631  ? 325 GLN B OE1 1 
ATOM   1023 N NE2 . GLN B 1 15  ? -8.89330  -3.77736  -45.30904 1.000 69.30284  ? 325 GLN B NE2 1 
ATOM   1024 N N   . PHE B 1 16  ? -4.24321  -5.95055  -42.93386 1.000 42.67361  ? 326 PHE B N   1 
ATOM   1025 C CA  . PHE B 1 16  ? -2.99726  -6.60581  -42.55379 1.000 42.67525  ? 326 PHE B CA  1 
ATOM   1026 C C   . PHE B 1 16  ? -2.57512  -7.50388  -43.70243 1.000 49.94373  ? 326 PHE B C   1 
ATOM   1027 O O   . PHE B 1 16  ? -3.29624  -8.45032  -44.03258 1.000 42.89750  ? 326 PHE B O   1 
ATOM   1028 C CB  . PHE B 1 16  ? -3.16344  -7.41047  -41.26912 1.000 38.02242  ? 326 PHE B CB  1 
ATOM   1029 C CG  . PHE B 1 16  ? -1.86573  -7.93155  -40.71644 1.000 45.52181  ? 326 PHE B CG  1 
ATOM   1030 C CD1 . PHE B 1 16  ? -0.97007  -7.08104  -40.08932 1.000 56.42882  ? 326 PHE B CD1 1 
ATOM   1031 C CD2 . PHE B 1 16  ? -1.54252  -9.26793  -40.82759 1.000 49.70839  ? 326 PHE B CD2 1 
ATOM   1032 C CE1 . PHE B 1 16  ? 0.22295   -7.55260  -39.57840 1.000 53.18523  ? 326 PHE B CE1 1 
ATOM   1033 C CE2 . PHE B 1 16  ? -0.35097  -9.74218  -40.32082 1.000 60.08754  ? 326 PHE B CE2 1 
ATOM   1034 C CZ  . PHE B 1 16  ? 0.53458   -8.87992  -39.69532 1.000 48.63192  ? 326 PHE B CZ  1 
ATOM   1035 N N   . PHE B 1 17  ? -1.41798  -7.21324  -44.29765 1.000 40.44576  ? 327 PHE B N   1 
ATOM   1036 C CA  . PHE B 1 17  ? -0.88745  -7.98819  -45.41438 1.000 43.98420  ? 327 PHE B CA  1 
ATOM   1037 C C   . PHE B 1 17  ? 0.14873   -8.98613  -44.91692 1.000 38.49334  ? 327 PHE B C   1 
ATOM   1038 O O   . PHE B 1 17  ? 1.05665   -8.61488  -44.16682 1.000 44.94382  ? 327 PHE B O   1 
ATOM   1039 C CB  . PHE B 1 17  ? -0.26731  -7.07620  -46.47714 1.000 38.79319  ? 327 PHE B CB  1 
ATOM   1040 C CG  . PHE B 1 17  ? 0.25832   -7.82590  -47.66804 1.000 43.78131  ? 327 PHE B CG  1 
ATOM   1041 C CD1 . PHE B 1 17  ? -0.56767  -8.10196  -48.75613 1.000 41.34799  ? 327 PHE B CD1 1 
ATOM   1042 C CD2 . PHE B 1 17  ? 1.57705   -8.27063  -47.69309 1.000 38.89504  ? 327 PHE B CD2 1 
ATOM   1043 C CE1 . PHE B 1 17  ? -0.07681  -8.81790  -49.85118 1.000 40.46299  ? 327 PHE B CE1 1 
ATOM   1044 C CE2 . PHE B 1 17  ? 2.08416   -8.97736  -48.79182 1.000 36.88603  ? 327 PHE B CE2 1 
ATOM   1045 C CZ  . PHE B 1 17  ? 1.24636   -9.26022  -49.86549 1.000 41.06271  ? 327 PHE B CZ  1 
ATOM   1046 N N   . VAL B 1 18  ? 0.01609   -10.24636 -45.34029 1.000 39.90250  ? 328 VAL B N   1 
ATOM   1047 C CA  . VAL B 1 18  ? 0.94384   -11.31275 -44.96884 1.000 41.09201  ? 328 VAL B CA  1 
ATOM   1048 C C   . VAL B 1 18  ? 1.67868   -11.77736 -46.21607 1.000 37.37618  ? 328 VAL B C   1 
ATOM   1049 O O   . VAL B 1 18  ? 1.04179   -12.19564 -47.19168 1.000 41.92371  ? 328 VAL B O   1 
ATOM   1050 C CB  . VAL B 1 18  ? 0.22276   -12.50412 -44.32595 1.000 37.77680  ? 328 VAL B CB  1 
ATOM   1051 C CG1 . VAL B 1 18  ? 1.23546   -13.57538 -44.01176 1.000 35.30701  ? 328 VAL B CG1 1 
ATOM   1052 C CG2 . VAL B 1 18  ? -0.54924  -12.07301 -43.08480 1.000 38.78021  ? 328 VAL B CG2 1 
ATOM   1053 N N   . SER B 1 19  ? 3.01278   -11.72721 -46.17104 1.000 36.67369  ? 329 SER B N   1 
ATOM   1054 C CA  . SER B 1 19  ? 3.88503   -12.32494 -47.18329 1.000 29.49597  ? 329 SER B CA  1 
ATOM   1055 C C   . SER B 1 19  ? 4.31432   -13.71970 -46.75111 1.000 38.27119  ? 329 SER B C   1 
ATOM   1056 O O   . SER B 1 19  ? 4.87113   -13.89870 -45.66310 1.000 44.02370  ? 329 SER B O   1 
ATOM   1057 C CB  . SER B 1 19  ? 5.12674   -11.46364 -47.40410 1.000 35.21501  ? 329 SER B CB  1 
ATOM   1058 O OG  . SER B 1 19  ? 6.22985   -12.26346 -47.80669 1.000 44.33883  ? 329 SER B OG  1 
ATOM   1059 N N   . PHE B 1 20  ? 4.07012   -14.70921 -47.60331 1.000 33.02874  ? 330 PHE B N   1 
ATOM   1060 C CA  . PHE B 1 20  ? 4.43213   -16.06551 -47.21895 1.000 31.92596  ? 330 PHE B CA  1 
ATOM   1061 C C   . PHE B 1 20  ? 5.95008   -16.25696 -47.20048 1.000 34.65103  ? 330 PHE B C   1 
ATOM   1062 O O   . PHE B 1 20  ? 6.46039   -17.11967 -46.46475 1.000 38.00806  ? 330 PHE B O   1 
ATOM   1063 C CB  . PHE B 1 20  ? 3.75364   -17.05970 -48.15607 1.000 31.03248  ? 330 PHE B CB  1 
ATOM   1064 C CG  . PHE B 1 20  ? 2.25790   -16.98854 -48.13510 1.000 33.79156  ? 330 PHE B CG  1 
ATOM   1065 C CD1 . PHE B 1 20  ? 1.55405   -17.10347 -46.95276 1.000 31.60367  ? 330 PHE B CD1 1 
ATOM   1066 C CD2 . PHE B 1 20  ? 1.54600   -16.81292 -49.31370 1.000 47.08998  ? 330 PHE B CD2 1 
ATOM   1067 C CE1 . PHE B 1 20  ? 0.15304   -17.04454 -46.94383 1.000 40.66735  ? 330 PHE B CE1 1 
ATOM   1068 C CE2 . PHE B 1 20  ? 0.16092   -16.74716 -49.31543 1.000 40.14029  ? 330 PHE B CE2 1 
ATOM   1069 C CZ  . PHE B 1 20  ? -0.54123  -16.85264 -48.12776 1.000 30.41108  ? 330 PHE B CZ  1 
ATOM   1070 N N   . LYS B 1 21  ? 6.69115   -15.46834 -47.98616 1.000 39.73107  ? 331 LYS B N   1 
ATOM   1071 C CA  . LYS B 1 21  ? 8.15035   -15.48383 -47.87846 1.000 45.07363  ? 331 LYS B CA  1 
ATOM   1072 C C   . LYS B 1 21  ? 8.58957   -15.03446 -46.48400 1.000 47.05910  ? 331 LYS B C   1 
ATOM   1073 O O   . LYS B 1 21  ? 9.37912   -15.71668 -45.81908 1.000 40.07144  ? 331 LYS B O   1 
ATOM   1074 C CB  . LYS B 1 21  ? 8.76825   -14.59922 -48.96796 1.000 46.63266  ? 331 LYS B CB  1 
ATOM   1075 C CG  . LYS B 1 21  ? 10.25793  -14.86346 -49.27154 1.000 57.90243  ? 331 LYS B CG  1 
ATOM   1076 C CD  . LYS B 1 21  ? 10.87282  -13.77332 -50.16667 1.000 72.18674  ? 331 LYS B CD  1 
ATOM   1077 C CE  . LYS B 1 21  ? 12.41249  -13.70957 -50.06301 1.000 87.21962  ? 331 LYS B CE  1 
ATOM   1078 N NZ  . LYS B 1 21  ? 12.95989  -12.50752 -49.33945 1.000 77.50858  ? 331 LYS B NZ  1 
ATOM   1079 N N   . ASP B 1 22  ? 8.04524   -13.90698 -46.00596 1.000 40.94254  ? 332 ASP B N   1 
ATOM   1080 C CA  . ASP B 1 22  ? 8.46804   -13.35543 -44.71918 1.000 45.98478  ? 332 ASP B CA  1 
ATOM   1081 C C   . ASP B 1 22  ? 8.31676   -14.37775 -43.60257 1.000 40.79409  ? 332 ASP B C   1 
ATOM   1082 O O   . ASP B 1 22  ? 9.23245   -14.56516 -42.79307 1.000 48.79812  ? 332 ASP B O   1 
ATOM   1083 C CB  . ASP B 1 22  ? 7.67332   -12.08721 -44.38407 1.000 41.67662  ? 332 ASP B CB  1 
ATOM   1084 C CG  . ASP B 1 22  ? 8.12091   -10.88393 -45.19186 1.000 69.50847  ? 332 ASP B CG  1 
ATOM   1085 O OD1 . ASP B 1 22  ? 7.66170   -9.76099  -44.88515 1.000 80.76419  ? 332 ASP B OD1 1 
ATOM   1086 O OD2 . ASP B 1 22  ? 8.93012   -11.05764 -46.13097 1.000 73.16670  ? 332 ASP B OD2 1 
ATOM   1087 N N   . ILE B 1 23  ? 7.16404   -15.05455 -43.53661 1.000 41.18164  ? 333 ILE B N   1 
ATOM   1088 C CA  . ILE B 1 23  ? 6.90968   -15.96339 -42.42617 1.000 32.57428  ? 333 ILE B CA  1 
ATOM   1089 C C   . ILE B 1 23  ? 7.38093   -17.37837 -42.71727 1.000 38.58494  ? 333 ILE B C   1 
ATOM   1090 O O   . ILE B 1 23  ? 7.16597   -18.28033 -41.89272 1.000 41.29091  ? 333 ILE B O   1 
ATOM   1091 C CB  . ILE B 1 23  ? 5.42097   -15.94028 -42.03196 1.000 30.25069  ? 333 ILE B CB  1 
ATOM   1092 C CG1 . ILE B 1 23  ? 4.53346   -16.61425 -43.07313 1.000 32.74580  ? 333 ILE B CG1 1 
ATOM   1093 C CG2 . ILE B 1 23  ? 4.96681   -14.49561 -41.89827 1.000 48.83865  ? 333 ILE B CG2 1 
ATOM   1094 C CD1 . ILE B 1 23  ? 3.08561   -16.69893 -42.63808 1.000 33.55251  ? 333 ILE B CD1 1 
ATOM   1095 N N   . GLY B 1 24  ? 8.02533   -17.60271 -43.85806 1.000 37.90724  ? 334 GLY B N   1 
ATOM   1096 C CA  . GLY B 1 24  ? 8.64589   -18.88395 -44.11685 1.000 35.93955  ? 334 GLY B CA  1 
ATOM   1097 C C   . GLY B 1 24  ? 7.70626   -19.96245 -44.58978 1.000 33.90218  ? 334 GLY B C   1 
ATOM   1098 O O   . GLY B 1 24  ? 7.98896   -21.14174 -44.38334 1.000 40.55792  ? 334 GLY B O   1 
ATOM   1099 N N   . TRP B 1 25  ? 6.59587   -19.60107 -45.22872 1.000 42.82741  ? 335 TRP B N   1 
ATOM   1100 C CA  . TRP B 1 25  ? 5.64043   -20.58493 -45.72232 1.000 32.02414  ? 335 TRP B CA  1 
ATOM   1101 C C   . TRP B 1 25  ? 5.72926   -20.78080 -47.22695 1.000 41.26282  ? 335 TRP B C   1 
ATOM   1102 O O   . TRP B 1 25  ? 4.99013   -21.60450 -47.77760 1.000 47.14870  ? 335 TRP B O   1 
ATOM   1103 C CB  . TRP B 1 25  ? 4.20689   -20.18075 -45.36323 1.000 29.22966  ? 335 TRP B CB  1 
ATOM   1104 C CG  . TRP B 1 25  ? 3.90182   -20.24785 -43.89167 1.000 32.84543  ? 335 TRP B CG  1 
ATOM   1105 C CD1 . TRP B 1 25  ? 4.78894   -20.47205 -42.88561 1.000 37.07609  ? 335 TRP B CD1 1 
ATOM   1106 C CD2 . TRP B 1 25  ? 2.63093   -20.02891 -43.26308 1.000 41.52635  ? 335 TRP B CD2 1 
ATOM   1107 N NE1 . TRP B 1 25  ? 4.14529   -20.44135 -41.67523 1.000 32.42279  ? 335 TRP B NE1 1 
ATOM   1108 C CE2 . TRP B 1 25  ? 2.82000   -20.17264 -41.87968 1.000 28.21496  ? 335 TRP B CE2 1 
ATOM   1109 C CE3 . TRP B 1 25  ? 1.35005   -19.73761 -43.73890 1.000 28.89423  ? 335 TRP B CE3 1 
ATOM   1110 C CZ2 . TRP B 1 25  ? 1.77928   -20.02338 -40.96252 1.000 31.43003  ? 335 TRP B CZ2 1 
ATOM   1111 C CZ3 . TRP B 1 25  ? 0.30491   -19.60805 -42.81919 1.000 34.09082  ? 335 TRP B CZ3 1 
ATOM   1112 C CH2 . TRP B 1 25  ? 0.53329   -19.74565 -41.45166 1.000 39.51029  ? 335 TRP B CH2 1 
ATOM   1113 N N   . ASN B 1 26  ? 6.59098   -20.03306 -47.90585 1.000 39.24723  ? 336 ASN B N   1 
ATOM   1114 C CA  . ASN B 1 26  ? 6.67772   -20.13133 -49.35449 1.000 45.74674  ? 336 ASN B CA  1 
ATOM   1115 C C   . ASN B 1 26  ? 7.35826   -21.40588 -49.81963 1.000 54.74611  ? 336 ASN B C   1 
ATOM   1116 O O   . ASN B 1 26  ? 7.56806   -21.55668 -51.02496 1.000 60.67781  ? 336 ASN B O   1 
ATOM   1117 C CB  . ASN B 1 26  ? 7.42307   -18.92683 -49.93598 1.000 45.77785  ? 336 ASN B CB  1 
ATOM   1118 C CG  . ASN B 1 26  ? 8.80745   -18.72909 -49.33002 1.000 45.24448  ? 336 ASN B CG  1 
ATOM   1119 O OD1 . ASN B 1 26  ? 9.08767   -19.15695 -48.21099 1.000 56.14163  ? 336 ASN B OD1 1 
ATOM   1120 N ND2 . ASN B 1 26  ? 9.67267   -18.05101 -50.06818 1.000 57.05654  ? 336 ASN B ND2 1 
ATOM   1121 N N   . ASP B 1 27  ? 7.71549   -22.31391 -48.91271 1.000 49.38500  ? 337 ASP B N   1 
ATOM   1122 C CA  . ASP B 1 27  ? 8.25424   -23.60176 -49.32581 1.000 52.10642  ? 337 ASP B CA  1 
ATOM   1123 C C   . ASP B 1 27  ? 7.14845   -24.57846 -49.69572 1.000 56.91039  ? 337 ASP B C   1 
ATOM   1124 O O   . ASP B 1 27  ? 7.40954   -25.55547 -50.40537 1.000 65.72186  ? 337 ASP B O   1 
ATOM   1125 C CB  . ASP B 1 27  ? 9.12253   -24.20611 -48.21072 1.000 64.96455  ? 337 ASP B CB  1 
ATOM   1126 C CG  . ASP B 1 27  ? 8.36486   -24.35760 -46.89053 1.000 74.35524  ? 337 ASP B CG  1 
ATOM   1127 O OD1 . ASP B 1 27  ? 7.70867   -23.37993 -46.46264 1.000 67.73911  ? 337 ASP B OD1 1 
ATOM   1128 O OD2 . ASP B 1 27  ? 8.43139   -25.45036 -46.27630 1.000 65.98618  ? 337 ASP B OD2 1 
ATOM   1129 N N   . TRP B 1 28  ? 5.92167   -24.33429 -49.23158 1.000 49.49508  ? 338 TRP B N   1 
ATOM   1130 C CA  . TRP B 1 28  ? 4.79895   -25.19545 -49.54476 1.000 46.77398  ? 338 TRP B CA  1 
ATOM   1131 C C   . TRP B 1 28  ? 3.61106   -24.46125 -50.14981 1.000 49.40679  ? 338 TRP B C   1 
ATOM   1132 O O   . TRP B 1 28  ? 2.72462   -25.12068 -50.70123 1.000 57.26700  ? 338 TRP B O   1 
ATOM   1133 C CB  . TRP B 1 28  ? 4.34244   -25.95899 -48.29093 1.000 49.32518  ? 338 TRP B CB  1 
ATOM   1134 C CG  . TRP B 1 28  ? 3.57795   -25.14166 -47.30808 1.000 57.02605  ? 338 TRP B CG  1 
ATOM   1135 C CD1 . TRP B 1 28  ? 4.08422   -24.20701 -46.44717 1.000 57.04047  ? 338 TRP B CD1 1 
ATOM   1136 C CD2 . TRP B 1 28  ? 2.17209   -25.20770 -47.04685 1.000 59.15210  ? 338 TRP B CD2 1 
ATOM   1137 N NE1 . TRP B 1 28  ? 3.07314   -23.67330 -45.67618 1.000 55.13785  ? 338 TRP B NE1 1 
ATOM   1138 C CE2 . TRP B 1 28  ? 1.89169   -24.27230 -46.02302 1.000 51.29633  ? 338 TRP B CE2 1 
ATOM   1139 C CE3 . TRP B 1 28  ? 1.12169   -25.96229 -47.57932 1.000 54.74610  ? 338 TRP B CE3 1 
ATOM   1140 C CZ2 . TRP B 1 28  ? 0.61080   -24.07353 -45.52726 1.000 48.61544  ? 338 TRP B CZ2 1 
ATOM   1141 C CZ3 . TRP B 1 28  ? -0.15174  -25.76105 -47.08684 1.000 60.42816  ? 338 TRP B CZ3 1 
ATOM   1142 C CH2 . TRP B 1 28  ? -0.39804  -24.82316 -46.07241 1.000 69.55246  ? 338 TRP B CH2 1 
ATOM   1143 N N   . ILE B 1 29  ? 3.56228   -23.13661 -50.07959 1.000 39.93577  ? 339 ILE B N   1 
ATOM   1144 C CA  . ILE B 1 29  ? 2.52480   -22.36327 -50.74636 1.000 41.79055  ? 339 ILE B CA  1 
ATOM   1145 C C   . ILE B 1 29  ? 3.13141   -21.78635 -52.01283 1.000 43.23228  ? 339 ILE B C   1 
ATOM   1146 O O   . ILE B 1 29  ? 4.09025   -21.00770 -51.95846 1.000 45.67045  ? 339 ILE B O   1 
ATOM   1147 C CB  . ILE B 1 29  ? 1.97607   -21.25004 -49.84901 1.000 50.78203  ? 339 ILE B CB  1 
ATOM   1148 C CG1 . ILE B 1 29  ? 1.02906   -21.82983 -48.81640 1.000 44.51030  ? 339 ILE B CG1 1 
ATOM   1149 C CG2 . ILE B 1 29  ? 1.20807   -20.25444 -50.68586 1.000 39.67492  ? 339 ILE B CG2 1 
ATOM   1150 C CD1 . ILE B 1 29  ? 0.90695   -20.95912 -47.60416 1.000 45.67791  ? 339 ILE B CD1 1 
ATOM   1151 N N   . ILE B 1 30  ? 2.58590   -22.17590 -53.15430 1.000 50.12940  ? 340 ILE B N   1 
ATOM   1152 C CA  . ILE B 1 30  ? 3.16165   -21.77860 -54.42913 1.000 42.08527  ? 340 ILE B CA  1 
ATOM   1153 C C   . ILE B 1 30  ? 2.59704   -20.44353 -54.89540 1.000 41.04920  ? 340 ILE B C   1 
ATOM   1154 O O   . ILE B 1 30  ? 3.33198   -19.59634 -55.41267 1.000 46.69085  ? 340 ILE B O   1 
ATOM   1155 C CB  . ILE B 1 30  ? 2.93156   -22.90534 -55.45725 1.000 48.82553  ? 340 ILE B CB  1 
ATOM   1156 C CG1 . ILE B 1 30  ? 3.77439   -24.12735 -55.07810 1.000 42.89031  ? 340 ILE B CG1 1 
ATOM   1157 C CG2 . ILE B 1 30  ? 3.28188   -22.45297 -56.85804 1.000 43.82700  ? 340 ILE B CG2 1 
ATOM   1158 C CD1 . ILE B 1 30  ? 3.26259   -25.42258 -55.66414 1.000 48.81030  ? 340 ILE B CD1 1 
ATOM   1159 N N   . ALA B 1 31  ? 1.30062   -20.21353 -54.70021 1.000 41.19646  ? 341 ALA B N   1 
ATOM   1160 C CA  . ALA B 1 31  ? 0.71533   -18.94832 -55.11132 1.000 47.26857  ? 341 ALA B CA  1 
ATOM   1161 C C   . ALA B 1 31  ? -0.55547  -18.73490 -54.31829 1.000 40.52852  ? 341 ALA B C   1 
ATOM   1162 O O   . ALA B 1 31  ? -1.21379  -19.71160 -53.93819 1.000 44.36273  ? 341 ALA B O   1 
ATOM   1163 C CB  . ALA B 1 31  ? 0.42199   -18.93136 -56.61873 1.000 50.43853  ? 341 ALA B CB  1 
ATOM   1164 N N   . PRO B 1 32  ? -0.92599  -17.48004 -54.04004 1.000 40.53712  ? 342 PRO B N   1 
ATOM   1165 C CA  . PRO B 1 32  ? -0.22232  -16.24245 -54.39647 1.000 44.23034  ? 342 PRO B CA  1 
ATOM   1166 C C   . PRO B 1 32  ? 0.97720   -16.03135 -53.48439 1.000 42.55418  ? 342 PRO B C   1 
ATOM   1167 O O   . PRO B 1 32  ? 1.23332   -16.87628 -52.63406 1.000 40.07612  ? 342 PRO B O   1 
ATOM   1168 C CB  . PRO B 1 32  ? -1.30458  -15.17699 -54.20876 1.000 44.46817  ? 342 PRO B CB  1 
ATOM   1169 C CG  . PRO B 1 32  ? -2.13053  -15.70678 -53.08248 1.000 46.94914  ? 342 PRO B CG  1 
ATOM   1170 C CD  . PRO B 1 32  ? -2.15944  -17.20569 -53.28246 1.000 38.14386  ? 342 PRO B CD  1 
ATOM   1171 N N   . SER B 1 33  ? 1.73512   -14.93818 -53.64337 1.000 44.83494  ? 343 SER B N   1 
ATOM   1172 C CA  . SER B 1 33  ? 2.91179   -14.68532 -52.81389 1.000 41.27977  ? 343 SER B CA  1 
ATOM   1173 C C   . SER B 1 33  ? 2.54875   -14.15345 -51.43820 1.000 45.37909  ? 343 SER B C   1 
ATOM   1174 O O   . SER B 1 33  ? 3.36671   -14.23658 -50.51413 1.000 40.70079  ? 343 SER B O   1 
ATOM   1175 C CB  . SER B 1 33  ? 3.84939   -13.69577 -53.51535 1.000 43.24415  ? 343 SER B CB  1 
ATOM   1176 O OG  . SER B 1 33  ? 3.38232   -12.35657 -53.37058 1.000 51.65918  ? 343 SER B OG  1 
ATOM   1177 N N   . GLY B 1 34  ? 1.34289   -13.62786 -51.28771 1.000 38.10759  ? 344 GLY B N   1 
ATOM   1178 C CA  . GLY B 1 34  ? 0.89945   -13.06126 -50.03033 1.000 46.93023  ? 344 GLY B CA  1 
ATOM   1179 C C   . GLY B 1 34  ? -0.51083  -12.56484 -50.21725 1.000 41.08040  ? 344 GLY B C   1 
ATOM   1180 O O   . GLY B 1 34  ? -1.09980  -12.70138 -51.29505 1.000 48.18977  ? 344 GLY B O   1 
ATOM   1181 N N   . TYR B 1 35  ? -1.06163  -11.97919 -49.15931 1.000 39.00025  ? 345 TYR B N   1 
ATOM   1182 C CA  . TYR B 1 35  ? -2.43084  -11.49572 -49.28023 1.000 39.73247  ? 345 TYR B CA  1 
ATOM   1183 C C   . TYR B 1 35  ? -2.81378  -10.70668 -48.03697 1.000 38.84913  ? 345 TYR B C   1 
ATOM   1184 O O   . TYR B 1 35  ? -2.15620  -10.78486 -46.99054 1.000 38.43778  ? 345 TYR B O   1 
ATOM   1185 C CB  . TYR B 1 35  ? -3.40260  -12.65647 -49.49061 1.000 38.89730  ? 345 TYR B CB  1 
ATOM   1186 C CG  . TYR B 1 35  ? -3.77241  -13.37849 -48.21035 1.000 34.93316  ? 345 TYR B CG  1 
ATOM   1187 C CD1 . TYR B 1 35  ? -2.80810  -14.03556 -47.45087 1.000 33.09653  ? 345 TYR B CD1 1 
ATOM   1188 C CD2 . TYR B 1 35  ? -5.09098  -13.41414 -47.76991 1.000 38.70844  ? 345 TYR B CD2 1 
ATOM   1189 C CE1 . TYR B 1 35  ? -3.15337  -14.70500 -46.27656 1.000 34.86493  ? 345 TYR B CE1 1 
ATOM   1190 C CE2 . TYR B 1 35  ? -5.44229  -14.07267 -46.59859 1.000 36.00059  ? 345 TYR B CE2 1 
ATOM   1191 C CZ  . TYR B 1 35  ? -4.47227  -14.72050 -45.85688 1.000 34.09063  ? 345 TYR B CZ  1 
ATOM   1192 O OH  . TYR B 1 35  ? -4.85333  -15.39317 -44.69357 1.000 29.98975  ? 345 TYR B OH  1 
ATOM   1193 N N   . HIS B 1 36  ? -3.91287  -9.96538  -48.16414 1.000 38.38503  ? 346 HIS B N   1 
ATOM   1194 C CA  . HIS B 1 36  ? -4.47469  -9.18757  -47.05982 1.000 40.00446  ? 346 HIS B CA  1 
ATOM   1195 C C   . HIS B 1 36  ? -5.37301  -10.10073 -46.23066 1.000 46.33711  ? 346 HIS B C   1 
ATOM   1196 O O   . HIS B 1 36  ? -6.50342  -10.41462 -46.62509 1.000 40.77681  ? 346 HIS B O   1 
ATOM   1197 C CB  . HIS B 1 36  ? -5.22859  -7.97751  -47.59366 1.000 43.11300  ? 346 HIS B CB  1 
ATOM   1198 C CG  . HIS B 1 36  ? -4.32894  -6.86037  -48.02345 1.000 52.00282  ? 346 HIS B CG  1 
ATOM   1199 N ND1 . HIS B 1 36  ? -3.88500  -6.72166  -49.32108 1.000 57.03453  ? 346 HIS B ND1 1 
ATOM   1200 C CD2 . HIS B 1 36  ? -3.76171  -5.84927  -47.32189 1.000 52.71219  ? 346 HIS B CD2 1 
ATOM   1201 C CE1 . HIS B 1 36  ? -3.09452  -5.66647  -49.40322 1.000 58.01489  ? 346 HIS B CE1 1 
ATOM   1202 N NE2 . HIS B 1 36  ? -3.00248  -5.11986  -48.20371 1.000 58.83926  ? 346 HIS B NE2 1 
ATOM   1203 N N   . ALA B 1 37  ? -4.85641  -10.54216 -45.07591 1.000 35.45543  ? 347 ALA B N   1 
ATOM   1204 C CA  . ALA B 1 37  ? -5.62697  -11.38086 -44.16883 1.000 34.14915  ? 347 ALA B CA  1 
ATOM   1205 C C   . ALA B 1 37  ? -6.50463  -10.54931 -43.23739 1.000 39.61646  ? 347 ALA B C   1 
ATOM   1206 O O   . ALA B 1 37  ? -7.60704  -10.98396 -42.86719 1.000 37.60883  ? 347 ALA B O   1 
ATOM   1207 C CB  . ALA B 1 37  ? -4.68023  -12.27099 -43.36164 1.000 32.52377  ? 347 ALA B CB  1 
ATOM   1208 N N   . ASN B 1 38  ? -6.01813  -9.36962  -42.82788 1.000 36.82271  ? 348 ASN B N   1 
ATOM   1209 C CA  . ASN B 1 38  ? -6.77793  -8.42957  -42.00016 1.000 36.49136  ? 348 ASN B CA  1 
ATOM   1210 C C   . ASN B 1 38  ? -7.12440  -9.01738  -40.64199 1.000 45.01289  ? 348 ASN B C   1 
ATOM   1211 O O   . ASN B 1 38  ? -6.92801  -10.21541 -40.41452 1.000 34.89262  ? 348 ASN B O   1 
ATOM   1212 C CB  . ASN B 1 38  ? -8.06526  -8.01014  -42.69575 1.000 34.62281  ? 348 ASN B CB  1 
ATOM   1213 C CG  . ASN B 1 38  ? -7.82168  -7.48643  -44.08122 1.000 39.17273  ? 348 ASN B CG  1 
ATOM   1214 O OD1 . ASN B 1 38  ? -6.77583  -6.91057  -44.37039 1.000 44.65227  ? 348 ASN B OD1 1 
ATOM   1215 N ND2 . ASN B 1 38  ? -8.78619  -7.69565  -44.95721 1.000 38.89766  ? 348 ASN B ND2 1 
ATOM   1216 N N   . TYR B 1 39  ? -7.66015  -8.19298  -39.74218 1.000 37.04857  ? 349 TYR B N   1 
ATOM   1217 C CA  . TYR B 1 39  ? -8.07315  -8.66719  -38.42547 1.000 37.53210  ? 349 TYR B CA  1 
ATOM   1218 C C   . TYR B 1 39  ? -9.00656  -7.63104  -37.79665 1.000 38.51244  ? 349 TYR B C   1 
ATOM   1219 O O   . TYR B 1 39  ? -9.29645  -6.58921  -38.38850 1.000 39.86803  ? 349 TYR B O   1 
ATOM   1220 C CB  . TYR B 1 39  ? -6.85201  -8.97868  -37.55464 1.000 31.64699  ? 349 TYR B CB  1 
ATOM   1221 C CG  . TYR B 1 39  ? -5.97034  -7.79939  -37.20889 1.000 36.32230  ? 349 TYR B CG  1 
ATOM   1222 C CD1 . TYR B 1 39  ? -4.98950  -7.35671  -38.08829 1.000 40.11720  ? 349 TYR B CD1 1 
ATOM   1223 C CD2 . TYR B 1 39  ? -6.09434  -7.14601  -35.99152 1.000 34.58201  ? 349 TYR B CD2 1 
ATOM   1224 C CE1 . TYR B 1 39  ? -4.15631  -6.29683  -37.76676 1.000 48.38926  ? 349 TYR B CE1 1 
ATOM   1225 C CE2 . TYR B 1 39  ? -5.26865  -6.05901  -35.66621 1.000 33.30142  ? 349 TYR B CE2 1 
ATOM   1226 C CZ  . TYR B 1 39  ? -4.30062  -5.65838  -36.55154 1.000 45.68172  ? 349 TYR B CZ  1 
ATOM   1227 O OH  . TYR B 1 39  ? -3.48891  -4.59634  -36.22889 1.000 45.40701  ? 349 TYR B OH  1 
ATOM   1228 N N   . CYS B 1 40  ? -9.49219  -7.93865  -36.59319 1.000 38.44149  ? 350 CYS B N   1 
ATOM   1229 C CA  . CYS B 1 40  ? -10.53122 -7.16826  -35.91407 1.000 34.39904  ? 350 CYS B CA  1 
ATOM   1230 C C   . CYS B 1 40  ? -10.00003 -6.59875  -34.60606 1.000 45.55382  ? 350 CYS B C   1 
ATOM   1231 O O   . CYS B 1 40  ? -9.22768  -7.24856  -33.89360 1.000 38.44401  ? 350 CYS B O   1 
ATOM   1232 C CB  . CYS B 1 40  ? -11.76178 -8.03734  -35.61511 1.000 31.03977  ? 350 CYS B CB  1 
ATOM   1233 S SG  . CYS B 1 40  ? -12.52597 -8.70755  -37.08272 1.000 38.66103  ? 350 CYS B SG  1 
ATOM   1234 N N   . GLU B 1 41  ? -10.44639 -5.38978  -34.27854 1.000 44.17962  ? 351 GLU B N   1 
ATOM   1235 C CA  . GLU B 1 41  ? -9.87647  -4.65538  -33.15810 1.000 41.22614  ? 351 GLU B CA  1 
ATOM   1236 C C   . GLU B 1 41  ? -10.75425 -3.47000  -32.77638 1.000 51.31108  ? 351 GLU B C   1 
ATOM   1237 O O   . GLU B 1 41  ? -11.21566 -2.72910  -33.65132 1.000 49.53424  ? 351 GLU B O   1 
ATOM   1238 C CB  . GLU B 1 41  ? -8.48384  -4.16121  -33.52323 1.000 40.66555  ? 351 GLU B CB  1 
ATOM   1239 C CG  . GLU B 1 41  ? -7.45096  -4.33601  -32.44285 1.000 68.55060  ? 351 GLU B CG  1 
ATOM   1240 C CD  . GLU B 1 41  ? -6.28396  -3.38208  -32.60371 1.000 73.35476  ? 351 GLU B CD  1 
ATOM   1241 O OE1 . GLU B 1 41  ? -6.25033  -2.63277  -33.61515 1.000 73.73172  ? 351 GLU B OE1 1 
ATOM   1242 O OE2 . GLU B 1 41  ? -5.39780  -3.39409  -31.71996 1.000 74.59086  ? 351 GLU B OE2 1 
ATOM   1243 N N   . GLY B 1 42  ? -10.98683 -3.26964  -31.48550 1.000 41.54001  ? 352 GLY B N   1 
ATOM   1244 C CA  . GLY B 1 42  ? -11.66122 -2.07692  -31.01040 1.000 54.79508  ? 352 GLY B CA  1 
ATOM   1245 C C   . GLY B 1 42  ? -12.78217 -2.40009  -30.04241 1.000 51.26116  ? 352 GLY B C   1 
ATOM   1246 O O   . GLY B 1 42  ? -13.15763 -3.55177  -29.83446 1.000 46.50429  ? 352 GLY B O   1 
ATOM   1247 N N   . GLU B 1 43  ? -13.34177 -1.32522  -29.48241 1.000 57.78208  ? 353 GLU B N   1 
ATOM   1248 C CA  . GLU B 1 43  ? -14.27303 -1.38096  -28.36420 1.000 51.39498  ? 353 GLU B CA  1 
ATOM   1249 C C   . GLU B 1 43  ? -15.65319 -1.87788  -28.79292 1.000 46.60721  ? 353 GLU B C   1 
ATOM   1250 O O   . GLU B 1 43  ? -16.06417 -1.75032  -29.94933 1.000 50.07964  ? 353 GLU B O   1 
ATOM   1251 C CB  . GLU B 1 43  ? -14.39289 -0.00004  -27.72390 1.000 54.84385  ? 353 GLU B CB  1 
ATOM   1252 C CG  . GLU B 1 43  ? -13.07885 0.55888   -27.21124 1.000 51.78640  ? 353 GLU B CG  1 
ATOM   1253 C CD  . GLU B 1 43  ? -13.16741 2.04053   -26.80851 1.000 97.38673  ? 353 GLU B CD  1 
ATOM   1254 O OE1 . GLU B 1 43  ? -12.30694 2.84072   -27.24809 1.000 84.09819  ? 353 GLU B OE1 1 
ATOM   1255 O OE2 . GLU B 1 43  ? -14.09625 2.40826   -26.05460 1.000 108.08783 ? 353 GLU B OE2 1 
ATOM   1256 N N   . CYS B 1 44  ? -16.39224 -2.42426  -27.82303 1.000 56.84663  ? 354 CYS B N   1 
ATOM   1257 C CA  . CYS B 1 44  ? -17.68137 -3.06746  -28.08746 1.000 70.09537  ? 354 CYS B CA  1 
ATOM   1258 C C   . CYS B 1 44  ? -18.72944 -2.63544  -27.06184 1.000 79.33274  ? 354 CYS B C   1 
ATOM   1259 O O   . CYS B 1 44  ? -19.29833 -3.46368  -26.34648 1.000 62.58465  ? 354 CYS B O   1 
ATOM   1260 C CB  . CYS B 1 44  ? -17.51080 -4.58221  -28.08525 1.000 49.52462  ? 354 CYS B CB  1 
ATOM   1261 S SG  . CYS B 1 44  ? -17.02745 -5.22100  -29.67675 1.000 50.45363  ? 354 CYS B SG  1 
ATOM   1262 N N   . PRO B 1 45  ? -19.05571 -1.33265  -27.00509 1.000 80.73107  ? 355 PRO B N   1 
ATOM   1263 C CA  . PRO B 1 45  ? -19.96635 -0.84986  -25.95836 1.000 84.40850  ? 355 PRO B CA  1 
ATOM   1264 C C   . PRO B 1 45  ? -21.43307 -1.24120  -26.17218 1.000 79.78311  ? 355 PRO B C   1 
ATOM   1265 O O   . PRO B 1 45  ? -21.89623 -1.32991  -27.31035 1.000 90.24201  ? 355 PRO B O   1 
ATOM   1266 C CB  . PRO B 1 45  ? -19.78795 0.66647   -26.03147 1.000 83.74329  ? 355 PRO B CB  1 
ATOM   1267 C CG  . PRO B 1 45  ? -19.49750 0.92476   -27.47369 1.000 73.36653  ? 355 PRO B CG  1 
ATOM   1268 C CD  . PRO B 1 45  ? -18.73734 -0.27962  -27.98763 1.000 66.93809  ? 355 PRO B CD  1 
ATOM   1269 N N   . LEU B 1 56  ? -24.62782 -6.31587  -34.28579 1.000 87.85746  ? 366 LEU B N   1 
ATOM   1270 C CA  . LEU B 1 56  ? -25.34527 -5.94932  -35.50217 1.000 94.16713  ? 366 LEU B CA  1 
ATOM   1271 C C   . LEU B 1 56  ? -26.10586 -7.15790  -36.04455 1.000 84.71193  ? 366 LEU B C   1 
ATOM   1272 O O   . LEU B 1 56  ? -27.15286 -7.00401  -36.67305 1.000 79.71429  ? 366 LEU B O   1 
ATOM   1273 C CB  . LEU B 1 56  ? -24.38241 -5.38830  -36.56005 1.000 89.11400  ? 366 LEU B CB  1 
ATOM   1274 C CG  . LEU B 1 56  ? -24.93318 -5.06375  -37.95447 1.000 87.89638  ? 366 LEU B CG  1 
ATOM   1275 C CD1 . LEU B 1 56  ? -24.25877 -3.82286  -38.52656 1.000 83.10312  ? 366 LEU B CD1 1 
ATOM   1276 C CD2 . LEU B 1 56  ? -24.77655 -6.25042  -38.90470 1.000 78.37670  ? 366 LEU B CD2 1 
ATOM   1277 N N   . SER B 1 57  ? -25.58488 -8.36056  -35.80776 1.000 66.62620  ? 367 SER B N   1 
ATOM   1278 C CA  . SER B 1 57  ? -26.34588 -9.55166  -36.15529 1.000 61.90190  ? 367 SER B CA  1 
ATOM   1279 C C   . SER B 1 57  ? -27.53635 -9.69033  -35.21301 1.000 66.32523  ? 367 SER B C   1 
ATOM   1280 O O   . SER B 1 57  ? -27.53331 -9.18461  -34.08144 1.000 47.86340  ? 367 SER B O   1 
ATOM   1281 C CB  . SER B 1 57  ? -25.47891 -10.80802 -36.08412 1.000 54.72197  ? 367 SER B CB  1 
ATOM   1282 O OG  . SER B 1 57  ? -25.43510 -11.30520 -34.75910 1.000 55.91313  ? 367 SER B OG  1 
ATOM   1283 N N   . PHE B 1 58  ? -28.57382 -10.37796 -35.69344 1.000 51.21183  ? 368 PHE B N   1 
ATOM   1284 C CA  . PHE B 1 58  ? -29.77440 -10.51259 -34.88178 1.000 39.67926  ? 368 PHE B CA  1 
ATOM   1285 C C   . PHE B 1 58  ? -29.46618 -11.25925 -33.58766 1.000 41.21268  ? 368 PHE B C   1 
ATOM   1286 O O   . PHE B 1 58  ? -29.93955 -10.87534 -32.50862 1.000 44.29903  ? 368 PHE B O   1 
ATOM   1287 C CB  . PHE B 1 58  ? -30.86632 -11.22465 -35.67213 1.000 55.34744  ? 368 PHE B CB  1 
ATOM   1288 C CG  . PHE B 1 58  ? -32.20502 -11.18760 -35.00621 1.000 64.56958  ? 368 PHE B CG  1 
ATOM   1289 C CD1 . PHE B 1 58  ? -32.55928 -12.14905 -34.06706 1.000 56.06160  ? 368 PHE B CD1 1 
ATOM   1290 C CD2 . PHE B 1 58  ? -33.12668 -10.19902 -35.34033 1.000 66.08001  ? 368 PHE B CD2 1 
ATOM   1291 C CE1 . PHE B 1 58  ? -33.80912 -12.11439 -33.45739 1.000 69.68596  ? 368 PHE B CE1 1 
ATOM   1292 C CE2 . PHE B 1 58  ? -34.37817 -10.15419 -34.74029 1.000 54.24913  ? 368 PHE B CE2 1 
ATOM   1293 C CZ  . PHE B 1 58  ? -34.72221 -11.11195 -33.79734 1.000 52.38102  ? 368 PHE B CZ  1 
ATOM   1294 N N   . HIS B 1 59  ? -28.64672 -12.31178 -33.66389 1.000 36.63669  ? 369 HIS B N   1 
ATOM   1295 C CA  . HIS B 1 59  ? -28.31235 -13.04409 -32.44963 1.000 36.41745  ? 369 HIS B CA  1 
ATOM   1296 C C   . HIS B 1 59  ? -27.59870 -12.14604 -31.43333 1.000 46.13752  ? 369 HIS B C   1 
ATOM   1297 O O   . HIS B 1 59  ? -27.99541 -12.07925 -30.26202 1.000 44.00207  ? 369 HIS B O   1 
ATOM   1298 C CB  . HIS B 1 59  ? -27.47726 -14.27421 -32.78650 1.000 39.47536  ? 369 HIS B CB  1 
ATOM   1299 C CG  . HIS B 1 59  ? -27.14967 -15.10292 -31.58595 1.000 27.55950  ? 369 HIS B CG  1 
ATOM   1300 N ND1 . HIS B 1 59  ? -26.05828 -14.84166 -30.78817 1.000 28.83608  ? 369 HIS B ND1 1 
ATOM   1301 C CD2 . HIS B 1 59  ? -27.78291 -16.15992 -31.02147 1.000 27.59217  ? 369 HIS B CD2 1 
ATOM   1302 C CE1 . HIS B 1 59  ? -26.01921 -15.71341 -29.79352 1.000 32.38233  ? 369 HIS B CE1 1 
ATOM   1303 N NE2 . HIS B 1 59  ? -27.04925 -16.52904 -29.91342 1.000 28.45509  ? 369 HIS B NE2 1 
ATOM   1304 N N   . SER B 1 60  ? -26.54895 -11.43374 -31.85936 1.000 41.22871  ? 370 SER B N   1 
ATOM   1305 C CA  . SER B 1 60  ? -25.87508 -10.51086 -30.93979 1.000 48.11013  ? 370 SER B CA  1 
ATOM   1306 C C   . SER B 1 60  ? -26.84015 -9.45730  -30.39621 1.000 51.30571  ? 370 SER B C   1 
ATOM   1307 O O   . SER B 1 60  ? -26.81062 -9.13185  -29.19798 1.000 41.93879  ? 370 SER B O   1 
ATOM   1308 C CB  . SER B 1 60  ? -24.68649 -9.83081  -31.63173 1.000 48.78935  ? 370 SER B CB  1 
ATOM   1309 O OG  . SER B 1 60  ? -23.88360 -10.77396 -32.32144 1.000 64.43501  ? 370 SER B OG  1 
ATOM   1310 N N   . THR B 1 61  ? -27.68485 -8.89484  -31.26911 1.000 38.03364  ? 371 THR B N   1 
ATOM   1311 C CA  . THR B 1 61  ? -28.72034 -7.95693  -30.83316 1.000 45.16159  ? 371 THR B CA  1 
ATOM   1312 C C   . THR B 1 61  ? -29.58392 -8.53962  -29.72359 1.000 56.34469  ? 371 THR B C   1 
ATOM   1313 O O   . THR B 1 61  ? -29.87065 -7.87102  -28.72025 1.000 46.51681  ? 371 THR B O   1 
ATOM   1314 C CB  . THR B 1 61  ? -29.60724 -7.58214  -32.01641 1.000 35.65535  ? 371 THR B CB  1 
ATOM   1315 O OG1 . THR B 1 61  ? -28.78013 -7.29830  -33.14983 1.000 59.56638  ? 371 THR B OG1 1 
ATOM   1316 C CG2 . THR B 1 61  ? -30.49353 -6.38399  -31.67410 1.000 48.70866  ? 371 THR B CG2 1 
ATOM   1317 N N   . VAL B 1 62  ? -30.05120 -9.77659  -29.91243 1.000 48.50581  ? 372 VAL B N   1 
ATOM   1318 C CA  . VAL B 1 62  ? -30.94405 -10.37719 -28.93091 1.000 45.94803  ? 372 VAL B CA  1 
ATOM   1319 C C   . VAL B 1 62  ? -30.23373 -10.52195 -27.59354 1.000 45.80542  ? 372 VAL B C   1 
ATOM   1320 O O   . VAL B 1 62  ? -30.77217 -10.15804 -26.54447 1.000 42.77276  ? 372 VAL B O   1 
ATOM   1321 C CB  . VAL B 1 62  ? -31.47693 -11.73070 -29.43554 1.000 45.01618  ? 372 VAL B CB  1 
ATOM   1322 C CG1 . VAL B 1 62  ? -32.20554 -12.42122 -28.32903 1.000 41.60112  ? 372 VAL B CG1 1 
ATOM   1323 C CG2 . VAL B 1 62  ? -32.41791 -11.52344 -30.60512 1.000 39.58857  ? 372 VAL B CG2 1 
ATOM   1324 N N   . ILE B 1 63  ? -29.01571 -11.06704 -27.60125 1.000 43.26678  ? 373 ILE B N   1 
ATOM   1325 C CA  . ILE B 1 63  ? -28.34178 -11.22747 -26.32014 1.000 47.34415  ? 373 ILE B CA  1 
ATOM   1326 C C   . ILE B 1 63  ? -27.97026 -9.86332  -25.75860 1.000 65.45894  ? 373 ILE B C   1 
ATOM   1327 O O   . ILE B 1 63  ? -27.83989 -9.69870  -24.53993 1.000 52.84763  ? 373 ILE B O   1 
ATOM   1328 C CB  . ILE B 1 63  ? -27.12090 -12.15682 -26.44701 1.000 65.26304  ? 373 ILE B CB  1 
ATOM   1329 C CG1 . ILE B 1 63  ? -25.97564 -11.43297 -27.14487 1.000 73.23881  ? 373 ILE B CG1 1 
ATOM   1330 C CG2 . ILE B 1 63  ? -27.49566 -13.45230 -27.16517 1.000 63.59359  ? 373 ILE B CG2 1 
ATOM   1331 C CD1 . ILE B 1 63  ? -24.97702 -10.82934 -26.17911 1.000 84.37674  ? 373 ILE B CD1 1 
ATOM   1332 N N   . ASN B 1 64  ? -27.80838 -8.86198  -26.62547 1.000 57.55229  ? 374 ASN B N   1 
ATOM   1333 C CA  . ASN B 1 64  ? -27.65865 -7.49513  -26.14641 1.000 58.47074  ? 374 ASN B CA  1 
ATOM   1334 C C   . ASN B 1 64  ? -28.82497 -7.09557  -25.25526 1.000 65.98456  ? 374 ASN B C   1 
ATOM   1335 O O   . ASN B 1 64  ? -28.63493 -6.64211  -24.11983 1.000 65.17705  ? 374 ASN B O   1 
ATOM   1336 C CB  . ASN B 1 64  ? -27.53857 -6.52617  -27.31692 1.000 62.09379  ? 374 ASN B CB  1 
ATOM   1337 C CG  . ASN B 1 64  ? -26.81648 -5.25290  -26.92988 1.000 82.74385  ? 374 ASN B CG  1 
ATOM   1338 O OD1 . ASN B 1 64  ? -26.13856 -5.20428  -25.89985 1.000 66.74077  ? 374 ASN B OD1 1 
ATOM   1339 N ND2 . ASN B 1 64  ? -26.99936 -4.19751  -27.72269 1.000 78.16333  ? 374 ASN B ND2 1 
ATOM   1340 N N   . HIS B 1 65  ? -30.04630 -7.23270  -25.76413 1.000 55.73850  ? 375 HIS B N   1 
ATOM   1341 C CA  . HIS B 1 65  ? -31.20488 -6.89956  -24.94731 1.000 54.01494  ? 375 HIS B CA  1 
ATOM   1342 C C   . HIS B 1 65  ? -31.10867 -7.56730  -23.58419 1.000 68.66670  ? 375 HIS B C   1 
ATOM   1343 O O   . HIS B 1 65  ? -31.10162 -6.89555  -22.54732 1.000 73.80158  ? 375 HIS B O   1 
ATOM   1344 C CB  . HIS B 1 65  ? -32.49348 -7.28953  -25.67298 1.000 56.87571  ? 375 HIS B CB  1 
ATOM   1345 C CG  . HIS B 1 65  ? -33.73932 -6.97569  -24.90420 1.000 77.35783  ? 375 HIS B CG  1 
ATOM   1346 N ND1 . HIS B 1 65  ? -33.91047 -7.32662  -23.58152 1.000 82.92115  ? 375 HIS B ND1 1 
ATOM   1347 C CD2 . HIS B 1 65  ? -34.85408 -6.29173  -25.25696 1.000 88.81802  ? 375 HIS B CD2 1 
ATOM   1348 C CE1 . HIS B 1 65  ? -35.09444 -6.91204  -23.16610 1.000 77.40245  ? 375 HIS B CE1 1 
ATOM   1349 N NE2 . HIS B 1 65  ? -35.68168 -6.27004  -24.15956 1.000 77.91101  ? 375 HIS B NE2 1 
ATOM   1350 N N   . TYR B 1 66  ? -31.00072 -8.89480  -23.56755 1.000 55.29692  ? 376 TYR B N   1 
ATOM   1351 C CA  . TYR B 1 66  ? -30.98892 -9.60183  -22.29235 1.000 59.87370  ? 376 TYR B CA  1 
ATOM   1352 C C   . TYR B 1 66  ? -29.87510 -9.08597  -21.38736 1.000 65.60600  ? 376 TYR B C   1 
ATOM   1353 O O   . TYR B 1 66  ? -30.09930 -8.80101  -20.20440 1.000 72.04863  ? 376 TYR B O   1 
ATOM   1354 C CB  . TYR B 1 66  ? -30.84548 -11.09962 -22.53049 1.000 63.18645  ? 376 TYR B CB  1 
ATOM   1355 C CG  . TYR B 1 66  ? -32.13069 -11.80909 -22.89382 1.000 51.11371  ? 376 TYR B CG  1 
ATOM   1356 C CD1 . TYR B 1 66  ? -33.03387 -12.18703 -21.91207 1.000 50.09033  ? 376 TYR B CD1 1 
ATOM   1357 C CD2 . TYR B 1 66  ? -32.41951 -12.13931 -24.21772 1.000 46.22124  ? 376 TYR B CD2 1 
ATOM   1358 C CE1 . TYR B 1 66  ? -34.21257 -12.84664 -22.23410 1.000 50.75121  ? 376 TYR B CE1 1 
ATOM   1359 C CE2 . TYR B 1 66  ? -33.58459 -12.80724 -24.55103 1.000 44.64579  ? 376 TYR B CE2 1 
ATOM   1360 C CZ  . TYR B 1 66  ? -34.48149 -13.16708 -23.55187 1.000 56.97549  ? 376 TYR B CZ  1 
ATOM   1361 O OH  . TYR B 1 66  ? -35.64796 -13.84884 -23.86498 1.000 55.82448  ? 376 TYR B OH  1 
ATOM   1362 N N   . ARG B 1 67  ? -28.66039 -8.97339  -21.92870 1.000 74.04103  ? 377 ARG B N   1 
ATOM   1363 C CA  . ARG B 1 67  ? -27.53802 -8.43748  -21.16507 1.000 72.72818  ? 377 ARG B CA  1 
ATOM   1364 C C   . ARG B 1 67  ? -27.91263 -7.11907  -20.51074 1.000 82.56631  ? 377 ARG B C   1 
ATOM   1365 O O   . ARG B 1 67  ? -27.66582 -6.90371  -19.31816 1.000 86.57832  ? 377 ARG B O   1 
ATOM   1366 C CB  . ARG B 1 67  ? -26.33152 -8.24617  -22.08646 1.000 72.31974  ? 377 ARG B CB  1 
ATOM   1367 C CG  . ARG B 1 67  ? -25.37530 -7.14397  -21.65919 1.000 80.98061  ? 377 ARG B CG  1 
ATOM   1368 C CD  . ARG B 1 67  ? -24.27858 -6.93212  -22.69975 1.000 77.16319  ? 377 ARG B CD  1 
ATOM   1369 N NE  . ARG B 1 67  ? -23.56390 -8.16170  -23.02499 1.000 71.42486  ? 377 ARG B NE  1 
ATOM   1370 C CZ  . ARG B 1 67  ? -23.32242 -8.57685  -24.26132 1.000 68.65941  ? 377 ARG B CZ  1 
ATOM   1371 N NH1 . ARG B 1 67  ? -23.75267 -7.89640  -25.31353 1.000 47.99881  ? 377 ARG B NH1 1 
ATOM   1372 N NH2 . ARG B 1 67  ? -22.63790 -9.70612  -24.44769 1.000 70.30320  ? 377 ARG B NH2 1 
ATOM   1373 N N   . MET B 1 68  ? -28.51732 -6.22141  -21.29022 1.000 79.64319  ? 378 MET B N   1 
ATOM   1374 C CA  . MET B 1 68  ? -28.90672 -4.91898  -20.76894 1.000 83.40462  ? 378 MET B CA  1 
ATOM   1375 C C   . MET B 1 68  ? -29.92466 -5.04161  -19.63363 1.000 94.72927  ? 378 MET B C   1 
ATOM   1376 O O   . MET B 1 68  ? -29.93981 -4.20167  -18.72759 1.000 87.52311  ? 378 MET B O   1 
ATOM   1377 C CB  . MET B 1 68  ? -29.44860 -4.05042  -21.91001 1.000 82.62887  ? 378 MET B CB  1 
ATOM   1378 C CG  . MET B 1 68  ? -28.42168 -3.06002  -22.48044 1.000 96.35926  ? 378 MET B CG  1 
ATOM   1379 S SD  . MET B 1 68  ? -28.98003 -2.18718  -23.96785 1.000 107.38519 ? 378 MET B SD  1 
ATOM   1380 C CE  . MET B 1 68  ? -27.47554 -1.35581  -24.47599 1.000 69.79470  ? 378 MET B CE  1 
ATOM   1381 N N   . ARG B 1 69  ? -30.77376 -6.07564  -19.64378 1.000 87.53599  ? 379 ARG B N   1 
ATOM   1382 C CA  . ARG B 1 69  ? -31.70177 -6.26890  -18.53246 1.000 75.25601  ? 379 ARG B CA  1 
ATOM   1383 C C   . ARG B 1 69  ? -31.02002 -6.78096  -17.26838 1.000 91.79579  ? 379 ARG B C   1 
ATOM   1384 O O   . ARG B 1 69  ? -31.70610 -7.31413  -16.38642 1.000 92.17958  ? 379 ARG B O   1 
ATOM   1385 C CB  . ARG B 1 69  ? -32.83740 -7.22147  -18.91309 1.000 74.56289  ? 379 ARG B CB  1 
ATOM   1386 C CG  . ARG B 1 69  ? -33.52211 -6.93607  -20.23477 1.000 88.98326  ? 379 ARG B CG  1 
ATOM   1387 C CD  . ARG B 1 69  ? -34.20778 -5.57510  -20.24053 1.000 97.89248  ? 379 ARG B CD  1 
ATOM   1388 N NE  . ARG B 1 69  ? -33.98233 -4.85900  -21.49231 1.000 101.05800 ? 379 ARG B NE  1 
ATOM   1389 C CZ  . ARG B 1 69  ? -33.07909 -3.90689  -21.67658 1.000 102.09081 ? 379 ARG B CZ  1 
ATOM   1390 N NH1 . ARG B 1 69  ? -32.25406 -3.53974  -20.70899 1.000 97.80510  ? 379 ARG B NH1 1 
ATOM   1391 N NH2 . ARG B 1 69  ? -33.00433 -3.30634  -22.86233 1.000 100.33102 ? 379 ARG B NH2 1 
ATOM   1392 N N   . GLY B 1 70  ? -29.70110 -6.62610  -17.16114 1.000 91.18001  ? 380 GLY B N   1 
ATOM   1393 C CA  . GLY B 1 70  ? -28.95915 -7.07655  -16.00029 1.000 95.34503  ? 380 GLY B CA  1 
ATOM   1394 C C   . GLY B 1 70  ? -29.29644 -8.48963  -15.57601 1.000 99.66591  ? 380 GLY B C   1 
ATOM   1395 O O   . GLY B 1 70  ? -29.31953 -8.79327  -14.37969 1.000 109.12748 ? 380 GLY B O   1 
ATOM   1396 N N   . HIS B 1 71  ? -29.55719 -9.36576  -16.54213 1.000 104.14062 ? 381 HIS B N   1 
ATOM   1397 C CA  . HIS B 1 71  ? -29.97681 -10.73176 -16.25949 1.000 109.10493 ? 381 HIS B CA  1 
ATOM   1398 C C   . HIS B 1 71  ? -28.79002 -11.67765 -16.37905 1.000 102.09273 ? 381 HIS B C   1 
ATOM   1399 O O   . HIS B 1 71  ? -28.12050 -11.71218 -17.41642 1.000 93.25895  ? 381 HIS B O   1 
ATOM   1400 C CB  . HIS B 1 71  ? -31.10048 -11.15893 -17.19846 1.000 95.11962  ? 381 HIS B CB  1 
ATOM   1401 C CG  . HIS B 1 71  ? -32.45456 -11.10430 -16.56211 1.000 119.64071 ? 381 HIS B CG  1 
ATOM   1402 N ND1 . HIS B 1 71  ? -33.21424 -9.95359  -16.52283 1.000 111.89667 ? 381 HIS B ND1 1 
ATOM   1403 C CD2 . HIS B 1 71  ? -33.17256 -12.05013 -15.91178 1.000 119.90203 ? 381 HIS B CD2 1 
ATOM   1404 C CE1 . HIS B 1 71  ? -34.35027 -10.19880 -15.89424 1.000 95.09560  ? 381 HIS B CE1 1 
ATOM   1405 N NE2 . HIS B 1 71  ? -34.34984 -11.46375 -15.51324 1.000 117.00973 ? 381 HIS B NE2 1 
ATOM   1406 N N   . SER B 1 72  ? -28.57055 -12.47100 -15.32494 1.000 117.91916 ? 382 SER B N   1 
ATOM   1407 C CA  . SER B 1 72  ? -27.32373 -13.21304 -15.09548 1.000 125.18713 ? 382 SER B CA  1 
ATOM   1408 C C   . SER B 1 72  ? -26.68230 -13.83203 -16.32908 1.000 124.39191 ? 382 SER B C   1 
ATOM   1409 O O   . SER B 1 72  ? -25.45415 -13.72893 -16.46255 1.000 110.38658 ? 382 SER B O   1 
ATOM   1410 C CB  . SER B 1 72  ? -27.56591 -14.33103 -14.07148 1.000 136.37016 ? 382 SER B CB  1 
ATOM   1411 O OG  . SER B 1 72  ? -28.31834 -13.85577 -12.98102 1.000 130.67192 ? 382 SER B OG  1 
ATOM   1412 N N   . PRO B 1 73  ? -27.41299 -14.51214 -17.22733 1.000 117.44517 ? 383 PRO B N   1 
ATOM   1413 C CA  . PRO B 1 73  ? -26.73580 -15.18468 -18.34359 1.000 90.87098  ? 383 PRO B CA  1 
ATOM   1414 C C   . PRO B 1 73  ? -25.75706 -14.25483 -19.04863 1.000 86.35751  ? 383 PRO B C   1 
ATOM   1415 O O   . PRO B 1 73  ? -24.56150 -14.55327 -19.10823 1.000 90.77325  ? 383 PRO B O   1 
ATOM   1416 C CB  . PRO B 1 73  ? -27.89426 -15.62812 -19.25151 1.000 67.81196  ? 383 PRO B CB  1 
ATOM   1417 C CG  . PRO B 1 73  ? -29.06899 -14.78731 -18.82884 1.000 89.99285  ? 383 PRO B CG  1 
ATOM   1418 C CD  . PRO B 1 73  ? -28.88009 -14.55661 -17.36311 1.000 101.89367 ? 383 PRO B CD  1 
ATOM   1419 N N   . PHE B 1 74  ? -26.22106 -13.10011 -19.52023 1.000 68.19639  ? 384 PHE B N   1 
ATOM   1420 C CA  . PHE B 1 74  ? -25.39610 -12.21567 -20.32656 1.000 72.12741  ? 384 PHE B CA  1 
ATOM   1421 C C   . PHE B 1 74  ? -24.96167 -10.94736 -19.60976 1.000 85.43957  ? 384 PHE B C   1 
ATOM   1422 O O   . PHE B 1 74  ? -24.17815 -10.17346 -20.17366 1.000 69.81134  ? 384 PHE B O   1 
ATOM   1423 C CB  . PHE B 1 74  ? -26.12965 -11.86128 -21.62110 1.000 61.50463  ? 384 PHE B CB  1 
ATOM   1424 C CG  . PHE B 1 74  ? -26.90988 -12.99735 -22.18535 1.000 67.52648  ? 384 PHE B CG  1 
ATOM   1425 C CD1 . PHE B 1 74  ? -28.09291 -13.40716 -21.59984 1.000 70.83507  ? 384 PHE B CD1 1 
ATOM   1426 C CD2 . PHE B 1 74  ? -26.41543 -13.71354 -23.26320 1.000 73.17667  ? 384 PHE B CD2 1 
ATOM   1427 C CE1 . PHE B 1 74  ? -28.79430 -14.47905 -22.10939 1.000 67.85805  ? 384 PHE B CE1 1 
ATOM   1428 C CE2 . PHE B 1 74  ? -27.10793 -14.78655 -23.77365 1.000 67.52873  ? 384 PHE B CE2 1 
ATOM   1429 C CZ  . PHE B 1 74  ? -28.30118 -15.16855 -23.19666 1.000 55.53154  ? 384 PHE B CZ  1 
ATOM   1430 N N   . ALA B 1 75  ? -25.43364 -10.71137 -18.38696 1.000 84.75143  ? 385 ALA B N   1 
ATOM   1431 C CA  . ALA B 1 75  ? -24.97313 -9.54062  -17.65097 1.000 86.76023  ? 385 ALA B CA  1 
ATOM   1432 C C   . ALA B 1 75  ? -23.45245 -9.49092  -17.59578 1.000 79.80868  ? 385 ALA B C   1 
ATOM   1433 O O   . ALA B 1 75  ? -22.85314 -8.42290  -17.75799 1.000 75.53740  ? 385 ALA B O   1 
ATOM   1434 C CB  . ALA B 1 75  ? -25.56092 -9.53629  -16.23933 1.000 102.09979 ? 385 ALA B CB  1 
ATOM   1435 N N   . ASN B 1 76  ? -22.80753 -10.63917 -17.38767 1.000 83.03672  ? 386 ASN B N   1 
ATOM   1436 C CA  . ASN B 1 76  ? -21.36230 -10.69236 -17.20609 1.000 67.31952  ? 386 ASN B CA  1 
ATOM   1437 C C   . ASN B 1 76  ? -20.62712 -11.33863 -18.37196 1.000 66.25340  ? 386 ASN B C   1 
ATOM   1438 O O   . ASN B 1 76  ? -19.45010 -11.68303 -18.22965 1.000 78.38862  ? 386 ASN B O   1 
ATOM   1439 C CB  . ASN B 1 76  ? -21.01998 -11.42631 -15.90983 1.000 82.67635  ? 386 ASN B CB  1 
ATOM   1440 C CG  . ASN B 1 76  ? -21.43694 -10.65356 -14.67979 1.000 95.71005  ? 386 ASN B CG  1 
ATOM   1441 O OD1 . ASN B 1 76  ? -21.07947 -9.48512  -14.51810 1.000 97.21817  ? 386 ASN B OD1 1 
ATOM   1442 N ND2 . ASN B 1 76  ? -22.20539 -11.29681 -13.80683 1.000 95.63772  ? 386 ASN B ND2 1 
ATOM   1443 N N   . LEU B 1 77  ? -21.27731 -11.51559 -19.51623 1.000 65.71939  ? 387 LEU B N   1 
ATOM   1444 C CA  . LEU B 1 77  ? -20.60559 -12.03326 -20.70454 1.000 63.00642  ? 387 LEU B CA  1 
ATOM   1445 C C   . LEU B 1 77  ? -20.00257 -10.86012 -21.47173 1.000 67.78772  ? 387 LEU B C   1 
ATOM   1446 O O   . LEU B 1 77  ? -20.73304 -10.00223 -21.98060 1.000 72.27801  ? 387 LEU B O   1 
ATOM   1447 C CB  . LEU B 1 77  ? -21.58020 -12.82373 -21.57183 1.000 55.98213  ? 387 LEU B CB  1 
ATOM   1448 C CG  . LEU B 1 77  ? -21.03994 -13.74288 -22.66950 1.000 65.26050  ? 387 LEU B CG  1 
ATOM   1449 C CD1 . LEU B 1 77  ? -19.94669 -14.68195 -22.15592 1.000 66.29201  ? 387 LEU B CD1 1 
ATOM   1450 C CD2 . LEU B 1 77  ? -22.19819 -14.53445 -23.26459 1.000 64.95941  ? 387 LEU B CD2 1 
ATOM   1451 N N   . LYS B 1 78  ? -18.67115 -10.81745 -21.54624 1.000 70.70274  ? 388 LYS B N   1 
ATOM   1452 C CA  . LYS B 1 78  ? -17.99442 -9.78046  -22.31599 1.000 56.17124  ? 388 LYS B CA  1 
ATOM   1453 C C   . LYS B 1 78  ? -18.37604 -9.86733  -23.78997 1.000 62.49135  ? 388 LYS B C   1 
ATOM   1454 O O   . LYS B 1 78  ? -18.51326 -10.95926 -24.35851 1.000 58.84074  ? 388 LYS B O   1 
ATOM   1455 C CB  . LYS B 1 78  ? -16.47414 -9.90129  -22.16895 1.000 60.31760  ? 388 LYS B CB  1 
ATOM   1456 C CG  . LYS B 1 78  ? -15.87824 -11.21512 -22.71724 1.000 80.68524  ? 388 LYS B CG  1 
ATOM   1457 C CD  . LYS B 1 78  ? -14.34310 -11.26475 -22.56536 1.000 105.28047 ? 388 LYS B CD  1 
ATOM   1458 C CE  . LYS B 1 78  ? -13.81540 -12.60587 -22.02898 1.000 98.96134  ? 388 LYS B CE  1 
ATOM   1459 N NZ  . LYS B 1 78  ? -13.73185 -12.65154 -20.53475 1.000 93.06538  ? 388 LYS B NZ  1 
ATOM   1460 N N   . SER B 1 79  ? -18.56161 -8.70244  -24.40541 1.000 59.75725  ? 389 SER B N   1 
ATOM   1461 C CA  . SER B 1 79  ? -18.74518 -8.59997  -25.84531 1.000 53.74298  ? 389 SER B CA  1 
ATOM   1462 C C   . SER B 1 79  ? -17.39374 -8.30208  -26.47057 1.000 45.32510  ? 389 SER B C   1 
ATOM   1463 O O   . SER B 1 79  ? -16.67656 -7.42539  -25.98644 1.000 45.81320  ? 389 SER B O   1 
ATOM   1464 C CB  . SER B 1 79  ? -19.73935 -7.50043  -26.19287 1.000 47.63027  ? 389 SER B CB  1 
ATOM   1465 O OG  . SER B 1 79  ? -19.93383 -7.45340  -27.58863 1.000 55.66412  ? 389 SER B OG  1 
ATOM   1466 N N   . CYS B 1 80  ? -17.02781 -9.05161  -27.51542 1.000 40.82660  ? 390 CYS B N   1 
ATOM   1467 C CA  . CYS B 1 80  ? -15.71217 -8.91430  -28.12771 1.000 33.63859  ? 390 CYS B CA  1 
ATOM   1468 C C   . CYS B 1 80  ? -15.81147 -8.61960  -29.61650 1.000 34.00081  ? 390 CYS B C   1 
ATOM   1469 O O   . CYS B 1 80  ? -16.73996 -9.07699  -30.29753 1.000 39.16922  ? 390 CYS B O   1 
ATOM   1470 C CB  . CYS B 1 80  ? -14.87011 -10.17971 -27.94879 1.000 47.96462  ? 390 CYS B CB  1 
ATOM   1471 S SG  . CYS B 1 80  ? -14.62198 -10.64322 -26.23196 1.000 52.64509  ? 390 CYS B SG  1 
ATOM   1472 N N   . CYS B 1 81  ? -14.80629 -7.89040  -30.10778 1.000 33.96504  ? 391 CYS B N   1 
ATOM   1473 C CA  . CYS B 1 81  ? -14.66605 -7.52785  -31.51677 1.000 40.39373  ? 391 CYS B CA  1 
ATOM   1474 C C   . CYS B 1 81  ? -14.00354 -8.67497  -32.26148 1.000 33.02479  ? 391 CYS B C   1 
ATOM   1475 O O   . CYS B 1 81  ? -12.82236 -8.96577  -32.04508 1.000 32.48207  ? 391 CYS B O   1 
ATOM   1476 C CB  . CYS B 1 81  ? -13.84199 -6.25113  -31.66164 1.000 48.95349  ? 391 CYS B CB  1 
ATOM   1477 S SG  . CYS B 1 81  ? -13.68584 -5.59535  -33.35992 1.000 40.26748  ? 391 CYS B SG  1 
ATOM   1478 N N   . VAL B 1 82  ? -14.75394 -9.29629  -33.16750 1.000 30.26195  ? 392 VAL B N   1 
ATOM   1479 C CA  . VAL B 1 82  ? -14.35409 -10.54499 -33.80612 1.000 29.54151  ? 392 VAL B CA  1 
ATOM   1480 C C   . VAL B 1 82  ? -14.89640 -10.56437 -35.22832 1.000 31.83770  ? 392 VAL B C   1 
ATOM   1481 O O   . VAL B 1 82  ? -15.79405 -9.77317  -35.56008 1.000 38.44904  ? 392 VAL B O   1 
ATOM   1482 C CB  . VAL B 1 82  ? -14.87523 -11.76159 -33.03029 1.000 31.14710  ? 392 VAL B CB  1 
ATOM   1483 C CG1 . VAL B 1 82  ? -14.35959 -11.74532 -31.59595 1.000 27.62798  ? 392 VAL B CG1 1 
ATOM   1484 C CG2 . VAL B 1 82  ? -16.39577 -11.77868 -33.06351 1.000 29.54359  ? 392 VAL B CG2 1 
ATOM   1485 N N   . PRO B 1 83  ? -14.40342 -11.45333 -36.08912 1.000 36.65406  ? 393 PRO B N   1 
ATOM   1486 C CA  . PRO B 1 83  ? -14.89269 -11.48012 -37.47244 1.000 35.45973  ? 393 PRO B CA  1 
ATOM   1487 C C   . PRO B 1 83  ? -16.34408 -11.92365 -37.53705 1.000 40.45666  ? 393 PRO B C   1 
ATOM   1488 O O   . PRO B 1 83  ? -16.76963 -12.85249 -36.84714 1.000 34.60482  ? 393 PRO B O   1 
ATOM   1489 C CB  . PRO B 1 83  ? -13.95991 -12.47987 -38.17515 1.000 37.03686  ? 393 PRO B CB  1 
ATOM   1490 C CG  . PRO B 1 83  ? -12.76077 -12.61528 -37.27218 1.000 37.59143  ? 393 PRO B CG  1 
ATOM   1491 C CD  . PRO B 1 83  ? -13.28828 -12.38957 -35.86979 1.000 31.72471  ? 393 PRO B CD  1 
ATOM   1492 N N   . THR B 1 84  ? -17.11661 -11.22414 -38.36342 1.000 39.92407  ? 394 THR B N   1 
ATOM   1493 C CA  . THR B 1 84  ? -18.49105 -11.61318 -38.63548 1.000 42.23453  ? 394 THR B CA  1 
ATOM   1494 C C   . THR B 1 84  ? -18.68343 -12.16612 -40.03590 1.000 54.55747  ? 394 THR B C   1 
ATOM   1495 O O   . THR B 1 84  ? -19.69625 -12.83181 -40.28665 1.000 46.50823  ? 394 THR B O   1 
ATOM   1496 C CB  . THR B 1 84  ? -19.43312 -10.42378 -38.42241 1.000 38.65234  ? 394 THR B CB  1 
ATOM   1497 O OG1 . THR B 1 84  ? -19.08766 -9.35870  -39.32338 1.000 42.66499  ? 394 THR B OG1 1 
ATOM   1498 C CG2 . THR B 1 84  ? -19.32357 -9.93648  -36.97913 1.000 38.19672  ? 394 THR B CG2 1 
ATOM   1499 N N   . LYS B 1 85  ? -17.73214 -11.91872 -40.93943 1.000 39.94148  ? 395 LYS B N   1 
ATOM   1500 C CA  . LYS B 1 85  ? -17.71844 -12.51586 -42.26519 1.000 43.56706  ? 395 LYS B CA  1 
ATOM   1501 C C   . LYS B 1 85  ? -16.28127 -12.78635 -42.67025 1.000 45.85704  ? 395 LYS B C   1 
ATOM   1502 O O   . LYS B 1 85  ? -15.41806 -11.92206 -42.50360 1.000 37.15332  ? 395 LYS B O   1 
ATOM   1503 C CB  . LYS B 1 85  ? -18.39153 -11.61475 -43.31082 1.000 40.42619  ? 395 LYS B CB  1 
ATOM   1504 C CG  . LYS B 1 85  ? -18.73572 -12.40267 -44.56702 1.000 57.25039  ? 395 LYS B CG  1 
ATOM   1505 C CD  . LYS B 1 85  ? -19.00334 -11.52389 -45.76327 1.000 76.10153  ? 395 LYS B CD  1 
ATOM   1506 C CE  . LYS B 1 85  ? -19.88937 -10.36092 -45.38641 1.000 68.77420  ? 395 LYS B CE  1 
ATOM   1507 N NZ  . LYS B 1 85  ? -20.94184 -10.14019 -46.42323 1.000 96.50941  ? 395 LYS B NZ  1 
ATOM   1508 N N   . LEU B 1 86  ? -16.03149 -13.97897 -43.19939 1.000 43.61597  ? 396 LEU B N   1 
ATOM   1509 C CA  . LEU B 1 86  ? -14.74753 -14.32538 -43.78150 1.000 42.34189  ? 396 LEU B CA  1 
ATOM   1510 C C   . LEU B 1 86  ? -14.98190 -14.78790 -45.20497 1.000 49.14085  ? 396 LEU B C   1 
ATOM   1511 O O   . LEU B 1 86  ? -16.08410 -15.20551 -45.56468 1.000 53.63722  ? 396 LEU B O   1 
ATOM   1512 C CB  . LEU B 1 86  ? -14.04657 -15.42463 -42.98473 1.000 40.53608  ? 396 LEU B CB  1 
ATOM   1513 C CG  . LEU B 1 86  ? -13.46945 -15.01958 -41.62710 1.000 37.92142  ? 396 LEU B CG  1 
ATOM   1514 C CD1 . LEU B 1 86  ? -14.35683 -15.54114 -40.52316 1.000 37.54819  ? 396 LEU B CD1 1 
ATOM   1515 C CD2 . LEU B 1 86  ? -12.06091 -15.58631 -41.48155 1.000 39.01092  ? 396 LEU B CD2 1 
ATOM   1516 N N   . ARG B 1 87  ? -13.94009 -14.70361 -46.01732 1.000 47.01569  ? 397 ARG B N   1 
ATOM   1517 C CA  . ARG B 1 87  ? -14.07610 -15.06493 -47.41649 1.000 38.29891  ? 397 ARG B CA  1 
ATOM   1518 C C   . ARG B 1 87  ? -12.96133 -16.02738 -47.80131 1.000 43.04636  ? 397 ARG B C   1 
ATOM   1519 O O   . ARG B 1 87  ? -11.89174 -16.02979 -47.18039 1.000 42.75381  ? 397 ARG B O   1 
ATOM   1520 C CB  . ARG B 1 87  ? -14.05358 -13.80849 -48.30516 1.000 47.57163  ? 397 ARG B CB  1 
ATOM   1521 C CG  . ARG B 1 87  ? -13.42962 -13.99604 -49.68439 1.000 74.00058  ? 397 ARG B CG  1 
ATOM   1522 C CD  . ARG B 1 87  ? -13.69134 -12.80206 -50.61387 1.000 72.92879  ? 397 ARG B CD  1 
ATOM   1523 N NE  . ARG B 1 87  ? -13.01093 -11.58323 -50.18343 1.000 81.50912  ? 397 ARG B NE  1 
ATOM   1524 C CZ  . ARG B 1 87  ? -11.96623 -11.04255 -50.80098 1.000 83.49060  ? 397 ARG B CZ  1 
ATOM   1525 N NH1 . ARG B 1 87  ? -11.45015 -11.58506 -51.89552 1.000 82.81896  ? 397 ARG B NH1 1 
ATOM   1526 N NH2 . ARG B 1 87  ? -11.41724 -9.93458  -50.30170 1.000 57.97139  ? 397 ARG B NH2 1 
ATOM   1527 N N   . PRO B 1 88  ? -13.20209 -16.89663 -48.77362 1.000 49.24095  ? 398 PRO B N   1 
ATOM   1528 C CA  . PRO B 1 88  ? -12.14957 -17.80714 -49.24155 1.000 38.39424  ? 398 PRO B CA  1 
ATOM   1529 C C   . PRO B 1 88  ? -11.18451 -17.14755 -50.22433 1.000 44.38705  ? 398 PRO B C   1 
ATOM   1530 O O   . PRO B 1 88  ? -11.40450 -16.04284 -50.72444 1.000 45.08109  ? 398 PRO B O   1 
ATOM   1531 C CB  . PRO B 1 88  ? -12.94367 -18.92872 -49.92117 1.000 40.82993  ? 398 PRO B CB  1 
ATOM   1532 C CG  . PRO B 1 88  ? -14.21822 -18.26919 -50.34275 1.000 52.97073  ? 398 PRO B CG  1 
ATOM   1533 C CD  . PRO B 1 88  ? -14.53788 -17.31856 -49.22765 1.000 43.61368  ? 398 PRO B CD  1 
ATOM   1534 N N   . MET B 1 89  ? -10.08176 -17.85876 -50.47636 1.000 39.38411  ? 399 MET B N   1 
ATOM   1535 C CA  . MET B 1 89  ? -9.12220  -17.54062 -51.52562 1.000 36.74049  ? 399 MET B CA  1 
ATOM   1536 C C   . MET B 1 89  ? -8.69653  -18.80820 -52.24787 1.000 52.23335  ? 399 MET B C   1 
ATOM   1537 O O   . MET B 1 89  ? -8.69066  -19.90272 -51.67550 1.000 48.00898  ? 399 MET B O   1 
ATOM   1538 C CB  . MET B 1 89  ? -7.84101  -16.86886 -51.03322 1.000 37.31763  ? 399 MET B CB  1 
ATOM   1539 C CG  . MET B 1 89  ? -7.41324  -15.66707 -51.83967 1.000 47.17568  ? 399 MET B CG  1 
ATOM   1540 S SD  . MET B 1 89  ? -6.02825  -14.74543 -51.12770 1.000 53.87247  ? 399 MET B SD  1 
ATOM   1541 C CE  . MET B 1 89  ? -4.75849  -16.01116 -51.08480 1.000 51.89451  ? 399 MET B CE  1 
ATOM   1542 N N   . SER B 1 90  ? -8.31702  -18.63696 -53.51072 1.000 42.57983  ? 400 SER B N   1 
ATOM   1543 C CA  . SER B 1 90  ? -7.71293  -19.71626 -54.26660 1.000 50.66581  ? 400 SER B CA  1 
ATOM   1544 C C   . SER B 1 90  ? -6.22025  -19.75920 -53.97338 1.000 48.88811  ? 400 SER B C   1 
ATOM   1545 O O   . SER B 1 90  ? -5.56164  -18.71863 -53.86950 1.000 45.02425  ? 400 SER B O   1 
ATOM   1546 C CB  . SER B 1 90  ? -7.96122  -19.53097 -55.76099 1.000 54.17994  ? 400 SER B CB  1 
ATOM   1547 O OG  . SER B 1 90  ? -7.82717  -20.76965 -56.44294 1.000 62.66008  ? 400 SER B OG  1 
ATOM   1548 N N   . MET B 1 91  ? -5.69048  -20.97426 -53.83574 1.000 46.97489  ? 401 MET B N   1 
ATOM   1549 C CA  . MET B 1 91  ? -4.30818  -21.18858 -53.44466 1.000 42.57593  ? 401 MET B CA  1 
ATOM   1550 C C   . MET B 1 91  ? -3.73809  -22.35228 -54.24225 1.000 43.82092  ? 401 MET B C   1 
ATOM   1551 O O   . MET B 1 91  ? -4.47361  -23.24622 -54.67595 1.000 47.07147  ? 401 MET B O   1 
ATOM   1552 C CB  . MET B 1 91  ? -4.21283  -21.49455 -51.94358 1.000 45.96315  ? 401 MET B CB  1 
ATOM   1553 C CG  . MET B 1 91  ? -4.60294  -20.33621 -51.02277 1.000 62.71906  ? 401 MET B CG  1 
ATOM   1554 S SD  . MET B 1 91  ? -3.19560  -19.58825 -50.16946 1.000 79.25904  ? 401 MET B SD  1 
ATOM   1555 C CE  . MET B 1 91  ? -2.58439  -21.01037 -49.25693 1.000 47.44529  ? 401 MET B CE  1 
ATOM   1556 N N   . LEU B 1 92  ? -2.41980  -22.34193 -54.41479 1.000 42.00237  ? 402 LEU B N   1 
ATOM   1557 C CA  . LEU B 1 92  ? -1.69156  -23.45880 -55.00626 1.000 51.09875  ? 402 LEU B CA  1 
ATOM   1558 C C   . LEU B 1 92  ? -0.54704  -23.83862 -54.08455 1.000 48.10545  ? 402 LEU B C   1 
ATOM   1559 O O   . LEU B 1 92  ? 0.33559   -23.01627 -53.81880 1.000 52.72928  ? 402 LEU B O   1 
ATOM   1560 C CB  . LEU B 1 92  ? -1.16831  -23.11062 -56.39973 1.000 53.87368  ? 402 LEU B CB  1 
ATOM   1561 C CG  . LEU B 1 92  ? -2.25665  -23.09430 -57.45728 1.000 51.90905  ? 402 LEU B CG  1 
ATOM   1562 C CD1 . LEU B 1 92  ? -2.47065  -21.68524 -57.94130 1.000 66.45245  ? 402 LEU B CD1 1 
ATOM   1563 C CD2 . LEU B 1 92  ? -1.81360  -23.99058 -58.58819 1.000 58.26318  ? 402 LEU B CD2 1 
ATOM   1564 N N   . TYR B 1 93  ? -0.54974  -25.09101 -53.63048 1.000 50.46345  ? 403 TYR B N   1 
ATOM   1565 C CA  . TYR B 1 93  ? 0.35760   -25.55733 -52.59616 1.000 44.28354  ? 403 TYR B CA  1 
ATOM   1566 C C   . TYR B 1 93  ? 0.75293   -27.00141 -52.86367 1.000 53.40529  ? 403 TYR B C   1 
ATOM   1567 O O   . TYR B 1 93  ? 0.10881   -27.71186 -53.63920 1.000 47.45802  ? 403 TYR B O   1 
ATOM   1568 C CB  . TYR B 1 93  ? -0.29457  -25.43543 -51.21733 1.000 42.48906  ? 403 TYR B CB  1 
ATOM   1569 C CG  . TYR B 1 93  ? -1.61540  -26.16424 -51.08616 1.000 42.54403  ? 403 TYR B CG  1 
ATOM   1570 C CD1 . TYR B 1 93  ? -1.66346  -27.51700 -50.75607 1.000 48.45465  ? 403 TYR B CD1 1 
ATOM   1571 C CD2 . TYR B 1 93  ? -2.82047  -25.49327 -51.26950 1.000 35.71067  ? 403 TYR B CD2 1 
ATOM   1572 C CE1 . TYR B 1 93  ? -2.87788  -28.17766 -50.62153 1.000 44.52248  ? 403 TYR B CE1 1 
ATOM   1573 C CE2 . TYR B 1 93  ? -4.03709  -26.14725 -51.13788 1.000 53.21174  ? 403 TYR B CE2 1 
ATOM   1574 C CZ  . TYR B 1 93  ? -4.05945  -27.48456 -50.81378 1.000 53.36849  ? 403 TYR B CZ  1 
ATOM   1575 O OH  . TYR B 1 93  ? -5.26756  -28.12413 -50.68469 1.000 64.74441  ? 403 TYR B OH  1 
ATOM   1576 N N   . TYR B 1 94  ? 1.81983   -27.43785 -52.20257 1.000 59.37856  ? 404 TYR B N   1 
ATOM   1577 C CA  . TYR B 1 94  ? 2.26597   -28.81447 -52.33027 1.000 57.96934  ? 404 TYR B CA  1 
ATOM   1578 C C   . TYR B 1 94  ? 1.53267   -29.70027 -51.33086 1.000 62.44786  ? 404 TYR B C   1 
ATOM   1579 O O   . TYR B 1 94  ? 1.25075   -29.28915 -50.20142 1.000 63.30146  ? 404 TYR B O   1 
ATOM   1580 C CB  . TYR B 1 94  ? 3.77095   -28.92983 -52.11288 1.000 61.22630  ? 404 TYR B CB  1 
ATOM   1581 C CG  . TYR B 1 94  ? 4.60056   -28.39215 -53.25087 1.000 50.46595  ? 404 TYR B CG  1 
ATOM   1582 C CD1 . TYR B 1 94  ? 4.68211   -29.06803 -54.45711 1.000 52.82439  ? 404 TYR B CD1 1 
ATOM   1583 C CD2 . TYR B 1 94  ? 5.34242   -27.22824 -53.10012 1.000 53.25968  ? 404 TYR B CD2 1 
ATOM   1584 C CE1 . TYR B 1 94  ? 5.45356   -28.57414 -55.50129 1.000 61.82330  ? 404 TYR B CE1 1 
ATOM   1585 C CE2 . TYR B 1 94  ? 6.12126   -26.72976 -54.13076 1.000 52.78296  ? 404 TYR B CE2 1 
ATOM   1586 C CZ  . TYR B 1 94  ? 6.17330   -27.40175 -55.32986 1.000 58.85857  ? 404 TYR B CZ  1 
ATOM   1587 O OH  . TYR B 1 94  ? 6.94296   -26.89498 -56.35837 1.000 55.07389  ? 404 TYR B OH  1 
ATOM   1588 N N   . ASP B 1 95  ? 1.22334   -30.91954 -51.76367 1.000 82.10863  ? 405 ASP B N   1 
ATOM   1589 C CA  . ASP B 1 95  ? 0.60893   -31.93173 -50.92172 1.000 78.89068  ? 405 ASP B CA  1 
ATOM   1590 C C   . ASP B 1 95  ? 1.64720   -32.61473 -50.05003 1.000 89.37526  ? 405 ASP B C   1 
ATOM   1591 O O   . ASP B 1 95  ? 2.85347   -32.37474 -50.15719 1.000 82.22293  ? 405 ASP B O   1 
ATOM   1592 C CB  . ASP B 1 95  ? -0.09050  -32.98942 -51.76932 1.000 75.95708  ? 405 ASP B CB  1 
ATOM   1593 C CG  . ASP B 1 95  ? -1.57505  -32.83565 -51.76136 1.000 94.15868  ? 405 ASP B CG  1 
ATOM   1594 O OD1 . ASP B 1 95  ? -2.05241  -31.88421 -51.09985 1.000 95.69671  ? 405 ASP B OD1 1 
ATOM   1595 O OD2 . ASP B 1 95  ? -2.25759  -33.66876 -52.40153 1.000 95.17153  ? 405 ASP B OD2 1 
ATOM   1596 N N   . ASP B 1 96  ? 1.15728   -33.50626 -49.18625 1.000 108.58128 ? 406 ASP B N   1 
ATOM   1597 C CA  . ASP B 1 96  ? 2.05170   -34.44323 -48.52351 1.000 109.67049 ? 406 ASP B CA  1 
ATOM   1598 C C   . ASP B 1 96  ? 2.80928   -35.28045 -49.54009 1.000 93.45956  ? 406 ASP B C   1 
ATOM   1599 O O   . ASP B 1 96  ? 3.97779   -35.61634 -49.31860 1.000 101.25977 ? 406 ASP B O   1 
ATOM   1600 C CB  . ASP B 1 96  ? 1.26876   -35.32099 -47.54201 1.000 110.25932 ? 406 ASP B CB  1 
ATOM   1601 C CG  . ASP B 1 96  ? 0.20763   -34.53805 -46.78456 1.000 112.43926 ? 406 ASP B CG  1 
ATOM   1602 O OD1 . ASP B 1 96  ? -0.96395  -34.55377 -47.20952 1.000 113.09120 ? 406 ASP B OD1 1 
ATOM   1603 O OD2 . ASP B 1 96  ? 0.55045   -33.90065 -45.76219 1.000 108.94455 ? 406 ASP B OD2 1 
ATOM   1604 N N   . GLY B 1 97  ? 2.18269   -35.58767 -50.67377 1.000 86.81144  ? 407 GLY B N   1 
ATOM   1605 C CA  . GLY B 1 97  ? 2.86117   -36.25860 -51.76100 1.000 94.46095  ? 407 GLY B CA  1 
ATOM   1606 C C   . GLY B 1 97  ? 3.69473   -35.36572 -52.65210 1.000 100.86322 ? 407 GLY B C   1 
ATOM   1607 O O   . GLY B 1 97  ? 4.15393   -35.80780 -53.70933 1.000 101.09375 ? 407 GLY B O   1 
ATOM   1608 N N   . GLN B 1 98  ? 3.92515   -34.12022 -52.24209 1.000 85.74702  ? 408 GLN B N   1 
ATOM   1609 C CA  . GLN B 1 98  ? 4.54286   -33.10793 -53.09113 1.000 80.12679  ? 408 GLN B CA  1 
ATOM   1610 C C   . GLN B 1 98  ? 3.76249   -33.05704 -54.41273 1.000 76.54004  ? 408 GLN B C   1 
ATOM   1611 O O   . GLN B 1 98  ? 4.28953   -33.19697 -55.51064 1.000 78.81776  ? 408 GLN B O   1 
ATOM   1612 C CB  . GLN B 1 98  ? 6.05102   -33.38600 -53.25523 1.000 61.74267  ? 408 GLN B CB  1 
ATOM   1613 C CG  . GLN B 1 98  ? 6.88498   -32.49181 -54.21063 1.000 81.58668  ? 408 GLN B CG  1 
ATOM   1614 C CD  . GLN B 1 98  ? 6.73086   -32.73381 -55.71068 1.000 101.94899 ? 408 GLN B CD  1 
ATOM   1615 O OE1 . GLN B 1 98  ? 5.91754   -32.10226 -56.40010 1.000 91.71385  ? 408 GLN B OE1 1 
ATOM   1616 N NE2 . GLN B 1 98  ? 7.56042   -33.63341 -56.23277 1.000 98.48094  ? 408 GLN B NE2 1 
ATOM   1617 N N   . ASN B 1 99  ? 2.44935   -32.92465 -54.28334 1.000 72.62453  ? 409 ASN B N   1 
ATOM   1618 C CA  . ASN B 1 99  ? 1.55124   -32.77959 -55.41830 1.000 74.52495  ? 409 ASN B CA  1 
ATOM   1619 C C   . ASN B 1 99  ? 0.99822   -31.36793 -55.38923 1.000 71.33416  ? 409 ASN B C   1 
ATOM   1620 O O   . ASN B 1 99  ? 0.52460   -30.91175 -54.34530 1.000 67.31000  ? 409 ASN B O   1 
ATOM   1621 C CB  . ASN B 1 99  ? 0.39897   -33.78570 -55.35690 1.000 71.42101  ? 409 ASN B CB  1 
ATOM   1622 C CG  . ASN B 1 99  ? 0.81329   -35.17577 -55.77034 1.000 87.43710  ? 409 ASN B CG  1 
ATOM   1623 O OD1 . ASN B 1 99  ? 0.88599   -36.08019 -54.94135 1.000 93.06345  ? 409 ASN B OD1 1 
ATOM   1624 N ND2 . ASN B 1 99  ? 1.09347   -35.35654 -57.05849 1.000 81.86246  ? 409 ASN B ND2 1 
ATOM   1625 N N   . ILE B 1 100 ? 1.06232   -30.67635 -56.52165 1.000 65.16696  ? 410 ILE B N   1 
ATOM   1626 C CA  . ILE B 1 100 ? 0.53265   -29.32140 -56.57409 1.000 54.73359  ? 410 ILE B CA  1 
ATOM   1627 C C   . ILE B 1 100 ? -0.98401  -29.39411 -56.63767 1.000 47.47716  ? 410 ILE B C   1 
ATOM   1628 O O   . ILE B 1 100 ? -1.55184  -30.05449 -57.51452 1.000 56.43751  ? 410 ILE B O   1 
ATOM   1629 C CB  . ILE B 1 100 ? 1.11497   -28.55658 -57.76247 1.000 51.94468  ? 410 ILE B CB  1 
ATOM   1630 C CG1 . ILE B 1 100 ? 2.63525   -28.66278 -57.70610 1.000 45.73353  ? 410 ILE B CG1 1 
ATOM   1631 C CG2 . ILE B 1 100 ? 0.64556   -27.11802 -57.71134 1.000 49.61252  ? 410 ILE B CG2 1 
ATOM   1632 C CD1 . ILE B 1 100 ? 3.37583   -27.89459 -58.78510 1.000 46.82092  ? 410 ILE B CD1 1 
ATOM   1633 N N   . ILE B 1 101 ? -1.64568  -28.74127 -55.68596 1.000 48.01604  ? 411 ILE B N   1 
ATOM   1634 C CA  . ILE B 1 101 ? -3.09848  -28.68385 -55.60416 1.000 56.68627  ? 411 ILE B CA  1 
ATOM   1635 C C   . ILE B 1 101 ? -3.53577  -27.24668 -55.79171 1.000 50.30007  ? 411 ILE B C   1 
ATOM   1636 O O   . ILE B 1 101 ? -2.89476  -26.32447 -55.27719 1.000 49.17765  ? 411 ILE B O   1 
ATOM   1637 C CB  . ILE B 1 101 ? -3.62616  -29.21817 -54.25713 1.000 55.56298  ? 411 ILE B CB  1 
ATOM   1638 C CG1 . ILE B 1 101 ? -2.76988  -30.39033 -53.79844 1.000 71.27886  ? 411 ILE B CG1 1 
ATOM   1639 C CG2 . ILE B 1 101 ? -5.08831  -29.58649 -54.35542 1.000 53.67808  ? 411 ILE B CG2 1 
ATOM   1640 C CD1 . ILE B 1 101 ? -2.82492  -31.56636 -54.75147 1.000 67.64314  ? 411 ILE B CD1 1 
ATOM   1641 N N   . LYS B 1 102 ? -4.61809  -27.06304 -56.53839 1.000 54.07377  ? 412 LYS B N   1 
ATOM   1642 C CA  . LYS B 1 102 ? -5.33137  -25.79559 -56.61417 1.000 54.60472  ? 412 LYS B CA  1 
ATOM   1643 C C   . LYS B 1 102 ? -6.64408  -25.97352 -55.86432 1.000 57.32830  ? 412 LYS B C   1 
ATOM   1644 O O   . LYS B 1 102 ? -7.50141  -26.76129 -56.27585 1.000 64.42685  ? 412 LYS B O   1 
ATOM   1645 C CB  . LYS B 1 102 ? -5.55379  -25.37253 -58.06254 1.000 52.22528  ? 412 LYS B CB  1 
ATOM   1646 C CG  . LYS B 1 102 ? -6.62855  -24.32322 -58.25226 1.000 56.79428  ? 412 LYS B CG  1 
ATOM   1647 C CD  . LYS B 1 102 ? -6.56754  -23.70819 -59.64077 1.000 55.08556  ? 412 LYS B CD  1 
ATOM   1648 C CE  . LYS B 1 102 ? -7.77393  -22.80795 -59.87242 1.000 70.56901  ? 412 LYS B CE  1 
ATOM   1649 N NZ  . LYS B 1 102 ? -7.49446  -21.38910 -59.51273 1.000 81.30754  ? 412 LYS B NZ  1 
ATOM   1650 N N   . LYS B 1 103 ? -6.78528  -25.26239 -54.75185 1.000 51.19443  ? 413 LYS B N   1 
ATOM   1651 C CA  . LYS B 1 103 ? -7.95037  -25.37734 -53.89424 1.000 57.82462  ? 413 LYS B CA  1 
ATOM   1652 C C   . LYS B 1 103 ? -8.44080  -23.99323 -53.50373 1.000 44.43795  ? 413 LYS B C   1 
ATOM   1653 O O   . LYS B 1 103 ? -7.65202  -23.05728 -53.35308 1.000 46.22143  ? 413 LYS B O   1 
ATOM   1654 C CB  . LYS B 1 103 ? -7.63439  -26.18625 -52.62207 1.000 67.48980  ? 413 LYS B CB  1 
ATOM   1655 C CG  . LYS B 1 103 ? -8.81416  -26.33317 -51.66234 1.000 67.42348  ? 413 LYS B CG  1 
ATOM   1656 C CD  . LYS B 1 103 ? -8.41674  -27.02811 -50.36281 1.000 67.88374  ? 413 LYS B CD  1 
ATOM   1657 C CE  . LYS B 1 103 ? -8.52445  -28.54810 -50.48332 1.000 87.02810  ? 413 LYS B CE  1 
ATOM   1658 N NZ  . LYS B 1 103 ? -9.78991  -29.00371 -51.14035 1.000 87.83088  ? 413 LYS B NZ  1 
ATOM   1659 N N   . ASP B 1 104 ? -9.75165  -23.87934 -53.33118 1.000 44.14954  ? 414 ASP B N   1 
ATOM   1660 C CA  . ASP B 1 104 ? -10.35692 -22.71148 -52.70326 1.000 44.74206  ? 414 ASP B CA  1 
ATOM   1661 C C   . ASP B 1 104 ? -10.32382 -22.91367 -51.19134 1.000 54.16255  ? 414 ASP B C   1 
ATOM   1662 O O   . ASP B 1 104 ? -11.10268 -23.70464 -50.64971 1.000 48.19229  ? 414 ASP B O   1 
ATOM   1663 C CB  . ASP B 1 104 ? -11.78643 -22.52274 -53.19416 1.000 56.77494  ? 414 ASP B CB  1 
ATOM   1664 C CG  . ASP B 1 104 ? -11.86901 -21.61660 -54.39306 1.000 61.60867  ? 414 ASP B CG  1 
ATOM   1665 O OD1 . ASP B 1 104 ? -11.02844 -21.77232 -55.30954 1.000 67.17868  ? 414 ASP B OD1 1 
ATOM   1666 O OD2 . ASP B 1 104 ? -12.77677 -20.75726 -54.42127 1.000 71.33410  ? 414 ASP B OD2 1 
ATOM   1667 N N   . ILE B 1 105 ? -9.42761  -22.20464 -50.50871 1.000 51.99102  ? 415 ILE B N   1 
ATOM   1668 C CA  . ILE B 1 105 ? -9.32079  -22.30818 -49.05627 1.000 39.04606  ? 415 ILE B CA  1 
ATOM   1669 C C   . ILE B 1 105 ? -10.32972 -21.37725 -48.40424 1.000 38.73188  ? 415 ILE B C   1 
ATOM   1670 O O   . ILE B 1 105 ? -10.39578 -20.18927 -48.73434 1.000 42.86605  ? 415 ILE B O   1 
ATOM   1671 C CB  . ILE B 1 105 ? -7.89815  -21.98296 -48.59260 1.000 44.16641  ? 415 ILE B CB  1 
ATOM   1672 C CG1 . ILE B 1 105 ? -6.89042  -22.78442 -49.41357 1.000 43.48188  ? 415 ILE B CG1 1 
ATOM   1673 C CG2 . ILE B 1 105 ? -7.76051  -22.26767 -47.11431 1.000 42.02217  ? 415 ILE B CG2 1 
ATOM   1674 C CD1 . ILE B 1 105 ? -7.04853  -24.28695 -49.23018 1.000 57.00753  ? 415 ILE B CD1 1 
ATOM   1675 N N   . GLN B 1 106 ? -11.11237 -21.90871 -47.46976 1.000 33.28864  ? 416 GLN B N   1 
ATOM   1676 C CA  . GLN B 1 106 ? -12.13095 -21.10467 -46.81236 1.000 42.54547  ? 416 GLN B CA  1 
ATOM   1677 C C   . GLN B 1 106 ? -11.58497 -20.44836 -45.55622 1.000 30.08554  ? 416 GLN B C   1 
ATOM   1678 O O   . GLN B 1 106 ? -10.58942 -20.88919 -44.96982 1.000 36.51564  ? 416 GLN B O   1 
ATOM   1679 C CB  . GLN B 1 106 ? -13.35875 -21.94515 -46.46608 1.000 48.50280  ? 416 GLN B CB  1 
ATOM   1680 C CG  . GLN B 1 106 ? -13.69273 -22.93263 -47.55216 1.000 51.80999  ? 416 GLN B CG  1 
ATOM   1681 C CD  . GLN B 1 106 ? -14.52380 -22.28321 -48.63966 1.000 56.44445  ? 416 GLN B CD  1 
ATOM   1682 O OE1 . GLN B 1 106 ? -15.41085 -21.47161 -48.35506 1.000 62.36783  ? 416 GLN B OE1 1 
ATOM   1683 N NE2 . GLN B 1 106 ? -14.20830 -22.59559 -49.89755 1.000 55.33221  ? 416 GLN B NE2 1 
ATOM   1684 N N   . ASN B 1 107 ? -12.25632 -19.37198 -45.14863 1.000 31.49849  ? 417 ASN B N   1 
ATOM   1685 C CA  . ASN B 1 107 ? -11.88522 -18.65893 -43.93245 1.000 30.08340  ? 417 ASN B CA  1 
ATOM   1686 C C   . ASN B 1 107 ? -10.42583 -18.21503 -43.99941 1.000 27.63421  ? 417 ASN B C   1 
ATOM   1687 O O   . ASN B 1 107 ? -9.63242  -18.46024 -43.08511 1.000 30.17915  ? 417 ASN B O   1 
ATOM   1688 C CB  . ASN B 1 107 ? -12.14336 -19.52722 -42.69896 1.000 30.39921  ? 417 ASN B CB  1 
ATOM   1689 C CG  . ASN B 1 107 ? -13.59511 -19.91124 -42.56410 1.000 41.39943  ? 417 ASN B CG  1 
ATOM   1690 O OD1 . ASN B 1 107 ? -14.47001 -19.05246 -42.46232 1.000 31.34612  ? 417 ASN B OD1 1 
ATOM   1691 N ND2 . ASN B 1 107 ? -13.86385 -21.21155 -42.55510 1.000 32.13488  ? 417 ASN B ND2 1 
ATOM   1692 N N   . MET B 1 108 ? -10.06660 -17.58761 -45.12441 1.000 30.71089  ? 418 MET B N   1 
ATOM   1693 C CA  . MET B 1 108 ? -8.74874  -17.01746 -45.36310 1.000 31.64388  ? 418 MET B CA  1 
ATOM   1694 C C   . MET B 1 108 ? -8.67330  -15.52068 -45.08868 1.000 37.95838  ? 418 MET B C   1 
ATOM   1695 O O   . MET B 1 108 ? -7.67514  -15.05164 -44.52605 1.000 33.03340  ? 418 MET B O   1 
ATOM   1696 C CB  . MET B 1 108 ? -8.31844  -17.31892 -46.80755 1.000 33.20685  ? 418 MET B CB  1 
ATOM   1697 C CG  . MET B 1 108 ? -7.68788  -18.71408 -46.97991 1.000 34.23552  ? 418 MET B CG  1 
ATOM   1698 S SD  . MET B 1 108 ? -6.31541  -18.69425 -48.16295 1.000 54.51595  ? 418 MET B SD  1 
ATOM   1699 C CE  . MET B 1 108 ? -5.30372  -17.33078 -47.60551 1.000 46.15178  ? 418 MET B CE  1 
ATOM   1700 N N   . ILE B 1 109 ? -9.70439  -14.76418 -45.45817 1.000 30.67908  ? 419 ILE B N   1 
ATOM   1701 C CA  . ILE B 1 109 ? -9.71216  -13.30460 -45.36969 1.000 35.42675  ? 419 ILE B CA  1 
ATOM   1702 C C   . ILE B 1 109 ? -10.80337 -12.87391 -44.39830 1.000 48.25095  ? 419 ILE B C   1 
ATOM   1703 O O   . ILE B 1 109 ? -11.94437 -13.33943 -44.50101 1.000 41.38674  ? 419 ILE B O   1 
ATOM   1704 C CB  . ILE B 1 109 ? -9.94704  -12.64680 -46.74160 1.000 30.99889  ? 419 ILE B CB  1 
ATOM   1705 C CG1 . ILE B 1 109 ? -8.88717  -13.07009 -47.75729 1.000 41.02144  ? 419 ILE B CG1 1 
ATOM   1706 C CG2 . ILE B 1 109 ? -10.02000 -11.14248 -46.61363 1.000 33.26870  ? 419 ILE B CG2 1 
ATOM   1707 C CD1 . ILE B 1 109 ? -9.46725  -13.34886 -49.11612 1.000 38.67079  ? 419 ILE B CD1 1 
ATOM   1708 N N   . VAL B 1 110 ? -10.45779 -11.99289 -43.45992 1.000 36.35862  ? 420 VAL B N   1 
ATOM   1709 C CA  . VAL B 1 110 ? -11.46246 -11.34484 -42.61831 1.000 34.40619  ? 420 VAL B CA  1 
ATOM   1710 C C   . VAL B 1 110 ? -12.08206 -10.21655 -43.43890 1.000 43.06731  ? 420 VAL B C   1 
ATOM   1711 O O   . VAL B 1 110 ? -11.40352 -9.25486  -43.79354 1.000 38.08901  ? 420 VAL B O   1 
ATOM   1712 C CB  . VAL B 1 110 ? -10.85214 -10.81769 -41.31514 1.000 35.24628  ? 420 VAL B CB  1 
ATOM   1713 C CG1 . VAL B 1 110 ? -11.75687 -9.76913  -40.69752 1.000 34.53716  ? 420 VAL B CG1 1 
ATOM   1714 C CG2 . VAL B 1 110 ? -10.63271 -11.96716 -40.33708 1.000 29.59433  ? 420 VAL B CG2 1 
ATOM   1715 N N   . GLU B 1 111 ? -13.36532 -10.34501 -43.76676 1.000 40.80481  ? 421 GLU B N   1 
ATOM   1716 C CA  . GLU B 1 111 ? -14.06601 -9.34818  -44.57038 1.000 39.42832  ? 421 GLU B CA  1 
ATOM   1717 C C   . GLU B 1 111 ? -14.77234 -8.29775  -43.72724 1.000 48.13964  ? 421 GLU B C   1 
ATOM   1718 O O   . GLU B 1 111 ? -14.87878 -7.14192  -44.15315 1.000 50.46527  ? 421 GLU B O   1 
ATOM   1719 C CB  . GLU B 1 111 ? -15.08817 -10.04002 -45.48313 1.000 40.91138  ? 421 GLU B CB  1 
ATOM   1720 C CG  . GLU B 1 111 ? -15.78430 -9.13120  -46.50250 1.000 47.99182  ? 421 GLU B CG  1 
ATOM   1721 C CD  . GLU B 1 111 ? -14.86076 -8.59260  -47.58583 1.000 80.48835  ? 421 GLU B CD  1 
ATOM   1722 O OE1 . GLU B 1 111 ? -13.96134 -9.33261  -48.04653 1.000 76.95895  ? 421 GLU B OE1 1 
ATOM   1723 O OE2 . GLU B 1 111 ? -15.04353 -7.42151  -47.98611 1.000 93.40114  ? 421 GLU B OE2 1 
ATOM   1724 N N   . GLU B 1 112 ? -15.23949 -8.67443  -42.53651 1.000 43.29625  ? 422 GLU B N   1 
ATOM   1725 C CA  . GLU B 1 112 ? -16.12642 -7.84685  -41.73512 1.000 41.46815  ? 422 GLU B CA  1 
ATOM   1726 C C   . GLU B 1 112 ? -15.90255 -8.17841  -40.26462 1.000 41.07742  ? 422 GLU B C   1 
ATOM   1727 O O   . GLU B 1 112 ? -15.69270 -9.34036  -39.90866 1.000 40.15685  ? 422 GLU B O   1 
ATOM   1728 C CB  . GLU B 1 112 ? -17.59745 -8.10372  -42.10665 1.000 42.25281  ? 422 GLU B CB  1 
ATOM   1729 C CG  . GLU B 1 112 ? -18.46329 -6.88343  -42.24064 1.000 61.05369  ? 422 GLU B CG  1 
ATOM   1730 C CD  . GLU B 1 112 ? -19.82238 -7.22008  -42.84721 1.000 96.70844  ? 422 GLU B CD  1 
ATOM   1731 O OE1 . GLU B 1 112 ? -20.77168 -7.49683  -42.07344 1.000 77.45094  ? 422 GLU B OE1 1 
ATOM   1732 O OE2 . GLU B 1 112 ? -19.93962 -7.22804  -44.09207 1.000 107.99278 ? 422 GLU B OE2 1 
ATOM   1733 N N   . CYS B 1 113 ? -15.96537 -7.15685  -39.41743 1.000 37.75358  ? 423 CYS B N   1 
ATOM   1734 C CA  . CYS B 1 113 ? -15.83586 -7.31277  -37.97775 1.000 37.10367  ? 423 CYS B CA  1 
ATOM   1735 C C   . CYS B 1 113 ? -17.09751 -6.78377  -37.30870 1.000 43.65854  ? 423 CYS B C   1 
ATOM   1736 O O   . CYS B 1 113 ? -17.77409 -5.90215  -37.84097 1.000 45.93831  ? 423 CYS B O   1 
ATOM   1737 C CB  . CYS B 1 113 ? -14.60066 -6.55823  -37.44771 1.000 44.79300  ? 423 CYS B CB  1 
ATOM   1738 S SG  . CYS B 1 113 ? -13.01541 -7.06822  -38.17452 1.000 40.61545  ? 423 CYS B SG  1 
ATOM   1739 N N   . GLY B 1 114 ? -17.40992 -7.32541  -36.13805 1.000 37.80877  ? 424 GLY B N   1 
ATOM   1740 C CA  . GLY B 1 114 ? -18.55837 -6.87024  -35.36999 1.000 34.49146  ? 424 GLY B CA  1 
ATOM   1741 C C   . GLY B 1 114 ? -18.44248 -7.43597  -33.97702 1.000 51.35512  ? 424 GLY B C   1 
ATOM   1742 O O   . GLY B 1 114 ? -17.60213 -8.29518  -33.70327 1.000 46.01892  ? 424 GLY B O   1 
ATOM   1743 N N   . CYS B 1 115 ? -19.29833 -6.95222  -33.09326 1.000 56.65418  ? 425 CYS B N   1 
ATOM   1744 C CA  . CYS B 1 115 ? -19.24160 -7.38617  -31.70757 1.000 47.44696  ? 425 CYS B CA  1 
ATOM   1745 C C   . CYS B 1 115 ? -20.11210 -8.61573  -31.47130 1.000 50.50248  ? 425 CYS B C   1 
ATOM   1746 O O   . CYS B 1 115 ? -21.16080 -8.79523  -32.10269 1.000 47.00911  ? 425 CYS B O   1 
ATOM   1747 C CB  . CYS B 1 115 ? -19.65760 -6.24600  -30.78408 1.000 50.64551  ? 425 CYS B CB  1 
ATOM   1748 S SG  . CYS B 1 115 ? -18.57915 -4.82879  -30.94251 1.000 53.99567  ? 425 CYS B SG  1 
ATOM   1749 N N   . SER B 1 116 ? -19.64184 -9.47600  -30.56382 1.000 39.01851  ? 426 SER B N   1 
ATOM   1750 C CA  . SER B 1 116 ? -20.38118 -10.65423 -30.08452 1.000 48.89768  ? 426 SER B CA  1 
ATOM   1751 C C   . SER B 1 116 ? -21.42311 -10.28216 -29.02552 1.000 59.87927  ? 426 SER B C   1 
ATOM   1752 O O   . SER B 1 116 ? -21.26555 -9.28826  -28.31196 1.000 52.18686  ? 426 SER B O   1 
ATOM   1753 C CB  . SER B 1 116 ? -19.41391 -11.68017 -29.49149 1.000 35.82300  ? 426 SER B CB  1 
ATOM   1754 O OG  . SER B 1 116 ? -18.70059 -11.08931 -28.39944 1.000 46.80667  ? 426 SER B OG  1 
ATOM   1755 O OXT . SER B 1 116 ? -22.43040 -10.97009 -28.83287 1.000 57.16295  ? 426 SER B OXT 1 
HETATM 1756 S S   . DMS C 2 .   ? -18.84020 -22.44899 -19.15935 1.000 87.34303  ? 501 DMS A S   1 
HETATM 1757 O O   . DMS C 2 .   ? -17.59339 -23.03208 -19.77497 1.000 56.96029  ? 501 DMS A O   1 
HETATM 1758 C C1  . DMS C 2 .   ? -18.40567 -21.32160 -17.80249 1.000 68.10575  ? 501 DMS A C1  1 
HETATM 1759 C C2  . DMS C 2 .   ? -19.74388 -23.72462 -18.23412 1.000 74.37407  ? 501 DMS A C2  1 
HETATM 1760 S S   . SO4 D 3 .   ? -15.66782 -30.69333 -33.05303 1.000 56.99844  ? 502 SO4 A S   1 
HETATM 1761 O O1  . SO4 D 3 .   ? -14.89848 -31.85130 -33.49532 1.000 58.65281  ? 502 SO4 A O1  1 
HETATM 1762 O O2  . SO4 D 3 .   ? -15.32472 -30.39029 -31.64431 1.000 39.59490  ? 502 SO4 A O2  1 
HETATM 1763 O O3  . SO4 D 3 .   ? -15.37637 -29.56309 -33.93176 1.000 54.81114  ? 502 SO4 A O3  1 
HETATM 1764 O O4  . SO4 D 3 .   ? -17.09213 -30.97319 -33.17809 1.000 47.35009  ? 502 SO4 A O4  1 
HETATM 1765 S S   . SO4 E 3 .   ? -11.26868 -28.66539 -19.50625 1.000 70.72059  ? 503 SO4 A S   1 
HETATM 1766 O O1  . SO4 E 3 .   ? -10.22121 -28.62485 -20.53191 1.000 53.98330  ? 503 SO4 A O1  1 
HETATM 1767 O O2  . SO4 E 3 .   ? -12.52375 -29.03247 -20.12851 1.000 40.23299  ? 503 SO4 A O2  1 
HETATM 1768 O O3  . SO4 E 3 .   ? -10.92923 -29.68044 -18.51670 1.000 76.69836  ? 503 SO4 A O3  1 
HETATM 1769 O O4  . SO4 E 3 .   ? -11.45523 -27.35331 -18.86506 1.000 53.84445  ? 503 SO4 A O4  1 
HETATM 1770 S S   . SO4 F 3 .   ? -27.14159 -26.66064 -21.30472 1.000 30.66297  ? 504 SO4 A S   1 
HETATM 1771 O O1  . SO4 F 3 .   ? -26.45792 -26.41631 -22.56059 1.000 32.34651  ? 504 SO4 A O1  1 
HETATM 1772 O O2  . SO4 F 3 .   ? -26.24786 -27.36584 -20.39166 1.000 39.24866  ? 504 SO4 A O2  1 
HETATM 1773 O O3  . SO4 F 3 .   ? -27.59299 -25.39557 -20.71614 1.000 37.00060  ? 504 SO4 A O3  1 
HETATM 1774 O O4  . SO4 F 3 .   ? -28.30033 -27.52781 -21.48956 1.000 38.64672  ? 504 SO4 A O4  1 
HETATM 1775 S S   . SO4 G 3 .   ? -18.48955 -16.28740 -38.59102 1.000 105.41437 ? 505 SO4 A S   1 
HETATM 1776 O O1  . SO4 G 3 .   ? -18.29865 -15.41303 -39.74733 1.000 76.99066  ? 505 SO4 A O1  1 
HETATM 1777 O O2  . SO4 G 3 .   ? -19.27403 -17.44567 -39.01294 1.000 91.53159  ? 505 SO4 A O2  1 
HETATM 1778 O O3  . SO4 G 3 .   ? -17.17367 -16.71014 -38.09637 1.000 90.52985  ? 505 SO4 A O3  1 
HETATM 1779 O O4  . SO4 G 3 .   ? -19.23528 -15.61064 -37.52591 1.000 52.91919  ? 505 SO4 A O4  1 
HETATM 1780 S S   . DMS H 2 .   ? -22.10249 -14.73083 -27.52853 1.000 97.18227  ? 501 DMS B S   1 
HETATM 1781 O O   . DMS H 2 .   ? -22.41179 -16.08587 -26.99659 1.000 36.51758  ? 501 DMS B O   1 
HETATM 1782 C C1  . DMS H 2 .   ? -22.35568 -13.47849 -26.23566 1.000 113.46973 ? 501 DMS B C1  1 
HETATM 1783 C C2  . DMS H 2 .   ? -23.38676 -14.24805 -28.71759 1.000 72.38507  ? 501 DMS B C2  1 
HETATM 1784 H H11 . DMS H 2 .   ? -22.54095 -12.53804 -26.68590 1.000 136.70607 ? 501 DMS B H11 1 
HETATM 1785 H H12 . DMS H 2 .   ? -21.48897 -13.41494 -25.63047 1.000 136.70607 ? 501 DMS B H12 1 
HETATM 1786 H H13 . DMS H 2 .   ? -23.18486 -13.75181 -25.63629 1.000 136.70607 ? 501 DMS B H13 1 
HETATM 1787 H H21 . DMS H 2 .   ? -23.30913 -14.84983 -29.58553 1.000 87.40447  ? 501 DMS B H21 1 
HETATM 1788 H H22 . DMS H 2 .   ? -23.25947 -13.23043 -28.98167 1.000 87.40447  ? 501 DMS B H22 1 
HETATM 1789 H H23 . DMS H 2 .   ? -24.34185 -14.38188 -28.28012 1.000 87.40447  ? 501 DMS B H23 1 
HETATM 1790 S S   . DMS I 2 .   ? -4.61382  -25.30552 -45.93723 1.000 113.15527 ? 502 DMS B S   1 
HETATM 1791 O O   . DMS I 2 .   ? -3.55005  -25.51824 -46.97355 1.000 77.89692  ? 502 DMS B O   1 
HETATM 1792 C C1  . DMS I 2 .   ? -3.97471  -25.75985 -44.29804 1.000 92.70046  ? 502 DMS B C1  1 
HETATM 1793 C C2  . DMS I 2 .   ? -5.96280  -26.50225 -46.15671 1.000 67.80734  ? 502 DMS B C2  1 
HETATM 1794 S S   . DMS J 2 .   ? -9.34393  -11.63130 -35.04582 1.000 64.16322  ? 503 DMS B S   1 
HETATM 1795 O O   . DMS J 2 .   ? -8.75217  -10.48246 -34.27934 1.000 46.43893  ? 503 DMS B O   1 
HETATM 1796 C C1  . DMS J 2 .   ? -7.99804  -12.72595 -35.56266 1.000 52.43951  ? 503 DMS B C1  1 
HETATM 1797 C C2  . DMS J 2 .   ? -9.90788  -11.04312 -36.65819 1.000 46.38913  ? 503 DMS B C2  1 
HETATM 1798 S S   . DMS K 2 .   ? -6.06866  -10.40224 -50.80401 1.000 104.58002 ? 504 DMS B S   1 
HETATM 1799 O O   . DMS K 2 .   ? -5.19596  -9.35038  -51.43684 1.000 55.70912  ? 504 DMS B O   1 
HETATM 1800 C C1  . DMS K 2 .   ? -7.08311  -11.21888 -52.07137 1.000 99.72146  ? 504 DMS B C1  1 
HETATM 1801 C C2  . DMS K 2 .   ? -7.39605  -9.71093  -49.75608 1.000 52.42216  ? 504 DMS B C2  1 
HETATM 1802 S S   . DMS L 2 .   ? 1.48587   -24.25036 -41.81630 1.000 104.48247 ? 505 DMS B S   1 
HETATM 1803 O O   . DMS L 2 .   ? 2.93298   -24.38833 -42.20352 1.000 69.14568  ? 505 DMS B O   1 
HETATM 1804 C C1  . DMS L 2 .   ? 1.33786   -23.83768 -40.05460 1.000 63.28383  ? 505 DMS B C1  1 
HETATM 1805 C C2  . DMS L 2 .   ? 0.60848   -25.84422 -41.84855 1.000 67.90600  ? 505 DMS B C2  1 
HETATM 1806 S S   . SO4 M 3 .   ? -14.80241 9.78411   -33.55145 1.000 113.48375 ? 506 SO4 B S   1 
HETATM 1807 O O1  . SO4 M 3 .   ? -14.30354 10.40442  -34.77914 1.000 96.13640  ? 506 SO4 B O1  1 
HETATM 1808 O O2  . SO4 M 3 .   ? -16.10240 9.15058   -33.78372 1.000 78.71936  ? 506 SO4 B O2  1 
HETATM 1809 O O3  . SO4 M 3 .   ? -13.84257 8.77047   -33.11965 1.000 71.83065  ? 506 SO4 B O3  1 
HETATM 1810 O O4  . SO4 M 3 .   ? -14.94428 10.81640  -32.52284 1.000 108.00276 ? 506 SO4 B O4  1 
HETATM 1811 S S   . SO4 N 3 .   ? -3.78162  -18.20473 -58.24695 1.000 133.43452 ? 507 SO4 B S   1 
HETATM 1812 O O1  . SO4 N 3 .   ? -2.54703  -17.86659 -58.96343 1.000 84.64114  ? 507 SO4 B O1  1 
HETATM 1813 O O2  . SO4 N 3 .   ? -4.58196  -19.15976 -59.01766 1.000 85.19234  ? 507 SO4 B O2  1 
HETATM 1814 O O3  . SO4 N 3 .   ? -3.45796  -18.79411 -56.94916 1.000 72.84005  ? 507 SO4 B O3  1 
HETATM 1815 O O4  . SO4 N 3 .   ? -4.56475  -16.98912 -58.03429 1.000 138.34604 ? 507 SO4 B O4  1 
HETATM 1816 O O   . HOH O 4 .   ? -9.23559  -11.73327 -29.99317 1.000 48.91806  ? 601 HOH A O   1 
HETATM 1817 O O   . HOH O 4 .   ? -15.80434 -24.96872 -29.52687 1.000 36.22717  ? 602 HOH A O   1 
HETATM 1818 O O   . HOH O 4 .   ? -1.31887  -19.54606 -29.20900 1.000 31.54239  ? 603 HOH A O   1 
HETATM 1819 O O   . HOH O 4 .   ? -38.60383 -17.58127 -44.97887 1.000 51.95426  ? 604 HOH A O   1 
HETATM 1820 O O   . HOH O 4 .   ? -33.24553 -22.55885 -39.41834 1.000 46.22100  ? 605 HOH A O   1 
HETATM 1821 O O   . HOH O 4 .   ? -46.79978 -11.96633 -31.16366 1.000 52.65346  ? 606 HOH A O   1 
HETATM 1822 O O   . HOH O 4 .   ? -19.51701 -15.25809 -26.28902 1.000 52.79909  ? 607 HOH A O   1 
HETATM 1823 O O   . HOH O 4 .   ? -30.74202 -22.87730 -27.03054 1.000 37.92413  ? 608 HOH A O   1 
HETATM 1824 O O   . HOH O 4 .   ? -23.92621 -27.70303 -19.32737 1.000 38.64244  ? 609 HOH A O   1 
HETATM 1825 O O   . HOH O 4 .   ? -5.40390  -17.67107 -34.14951 1.000 30.08238  ? 610 HOH A O   1 
HETATM 1826 O O   . HOH O 4 .   ? -26.94096 -17.41067 -41.10646 1.000 36.15232  ? 611 HOH A O   1 
HETATM 1827 O O   . HOH O 4 .   ? -18.93258 -28.11350 -14.49902 1.000 55.93010  ? 612 HOH A O   1 
HETATM 1828 O O   . HOH O 4 .   ? -14.92239 -27.78306 -35.98324 1.000 46.72163  ? 613 HOH A O   1 
HETATM 1829 O O   . HOH O 4 .   ? -9.12948  -16.21924 -37.21873 1.000 45.86803  ? 614 HOH A O   1 
HETATM 1830 O O   . HOH O 4 .   ? -27.80663 -22.53244 -20.63656 1.000 39.27155  ? 615 HOH A O   1 
HETATM 1831 O O   . HOH O 4 .   ? -32.89838 -23.80756 -25.15349 1.000 24.94637  ? 616 HOH A O   1 
HETATM 1832 O O   . HOH O 4 .   ? -43.44338 -14.30876 -28.08884 1.000 41.26996  ? 617 HOH A O   1 
HETATM 1833 O O   . HOH O 4 .   ? -1.75639  -23.09290 -22.18734 1.000 40.11466  ? 618 HOH A O   1 
HETATM 1834 O O   . HOH O 4 .   ? -10.02864 -16.74173 -21.72232 1.000 44.21162  ? 619 HOH A O   1 
HETATM 1835 O O   . HOH O 4 .   ? -29.06799 -11.03094 -38.36358 1.000 39.60064  ? 620 HOH A O   1 
HETATM 1836 O O   . HOH O 4 .   ? -43.96455 -13.65256 -31.10176 1.000 44.82597  ? 621 HOH A O   1 
HETATM 1837 O O   . HOH O 4 .   ? -10.43383 -21.64609 -36.60434 1.000 26.71842  ? 622 HOH A O   1 
HETATM 1838 O O   . HOH O 4 .   ? -21.05106 -27.42160 -31.56059 1.000 36.64166  ? 623 HOH A O   1 
HETATM 1839 O O   . HOH O 4 .   ? -7.28847  -15.84410 -34.57026 1.000 29.56463  ? 624 HOH A O   1 
HETATM 1840 O O   . HOH O 4 .   ? -30.60195 -25.74911 -28.36938 1.000 30.56345  ? 625 HOH A O   1 
HETATM 1841 O O   . HOH O 4 .   ? -31.86894 -24.23771 -32.38494 1.000 31.26313  ? 626 HOH A O   1 
HETATM 1842 O O   . HOH O 4 .   ? -11.61665 -18.30170 -38.65850 1.000 37.93180  ? 627 HOH A O   1 
HETATM 1843 O O   . HOH O 4 .   ? -18.70391 -31.94067 -23.91749 1.000 42.18554  ? 628 HOH A O   1 
HETATM 1844 O O   . HOH O 4 .   ? -14.22247 -33.73818 -31.52444 1.000 39.71853  ? 629 HOH A O   1 
HETATM 1845 O O   . HOH O 4 .   ? -36.16885 -21.88442 -40.35063 1.000 37.81373  ? 630 HOH A O   1 
HETATM 1846 O O   . HOH O 4 .   ? -7.39476  -27.35187 -21.73446 1.000 29.33890  ? 631 HOH A O   1 
HETATM 1847 O O   . HOH O 4 .   ? -5.27545  -16.71840 -24.68251 1.000 45.49211  ? 632 HOH A O   1 
HETATM 1848 O O   . HOH O 4 .   ? -49.17238 -7.57724  -29.23692 1.000 57.55974  ? 633 HOH A O   1 
HETATM 1849 O O   . HOH O 4 .   ? -21.71449 -32.25453 -23.85458 1.000 43.14729  ? 634 HOH A O   1 
HETATM 1850 O O   . HOH O 4 .   ? -24.67973 -34.62654 -21.52110 1.000 57.90326  ? 635 HOH A O   1 
HETATM 1851 O O   . HOH O 4 .   ? -13.54735 -25.29666 -27.42509 1.000 29.78822  ? 636 HOH A O   1 
HETATM 1852 O O   . HOH O 4 .   ? -0.42146  -8.66254  -24.55652 1.000 71.12231  ? 637 HOH A O   1 
HETATM 1853 O O   . HOH O 4 .   ? -27.86755 -26.30925 -32.35819 1.000 44.25895  ? 638 HOH A O   1 
HETATM 1854 O O   . HOH O 4 .   ? -19.57092 -25.50244 -30.01946 1.000 23.20087  ? 639 HOH A O   1 
HETATM 1855 O O   . HOH O 4 .   ? -12.32787 -23.98444 -29.46385 1.000 37.41871  ? 640 HOH A O   1 
HETATM 1856 O O   . HOH O 4 .   ? -7.73624  -27.77286 -38.70483 1.000 42.24316  ? 641 HOH A O   1 
HETATM 1857 O O   . HOH O 4 .   ? -16.77333 -16.45419 -21.95046 1.000 41.33894  ? 642 HOH A O   1 
HETATM 1858 O O   . HOH O 4 .   ? -36.27790 -15.86266 -47.30047 1.000 48.31226  ? 643 HOH A O   1 
HETATM 1859 O O   . HOH O 4 .   ? -10.14782 -26.65839 -28.96210 1.000 27.23974  ? 644 HOH A O   1 
HETATM 1860 O O   . HOH O 4 .   ? -43.81508 -20.68729 -31.79489 1.000 27.85479  ? 645 HOH A O   1 
HETATM 1861 O O   . HOH O 4 .   ? -26.59501 -10.38213 -39.24844 1.000 52.36696  ? 646 HOH A O   1 
HETATM 1862 O O   . HOH O 4 .   ? -22.02024 -18.85475 -40.09041 1.000 37.54748  ? 647 HOH A O   1 
HETATM 1863 O O   . HOH O 4 .   ? -18.79454 -31.73595 -27.23882 1.000 37.76474  ? 648 HOH A O   1 
HETATM 1864 O O   . HOH O 4 .   ? -11.56730 -18.18719 -34.70305 1.000 47.80109  ? 649 HOH A O   1 
HETATM 1865 O O   . HOH O 4 .   ? -31.08459 -11.50559 -42.83876 1.000 45.47741  ? 650 HOH A O   1 
HETATM 1866 O O   . HOH O 4 .   ? -9.07148  -26.56525 -41.34047 1.000 55.52575  ? 651 HOH A O   1 
HETATM 1867 O O   . HOH O 4 .   ? -27.26759 -21.04707 -18.85903 1.000 51.79200  ? 652 HOH A O   1 
HETATM 1868 O O   . HOH O 4 .   ? -17.16355 -32.29952 -29.62409 1.000 52.16897  ? 653 HOH A O   1 
HETATM 1869 O O   . HOH O 4 .   ? -16.92915 -14.66242 -23.84853 1.000 61.70453  ? 654 HOH A O   1 
HETATM 1870 O O   . HOH O 4 .   ? -49.58403 -7.59802  -44.80762 1.000 58.36070  ? 655 HOH A O   1 
HETATM 1871 O O   . HOH O 4 .   ? -2.96614  -19.78136 -21.00457 1.000 50.80829  ? 656 HOH A O   1 
HETATM 1872 O O   . HOH O 4 .   ? -7.86902  -19.16514 -19.16994 1.000 49.72038  ? 657 HOH A O   1 
HETATM 1873 O O   . HOH O 4 .   ? -22.74696 -12.58469 -37.30527 1.000 54.31425  ? 658 HOH A O   1 
HETATM 1874 O O   . HOH O 4 .   ? -32.94235 -22.72219 -21.98860 1.000 35.06094  ? 659 HOH A O   1 
HETATM 1875 O O   . HOH O 4 .   ? -41.32420 -21.95073 -43.20966 1.000 59.11732  ? 660 HOH A O   1 
HETATM 1876 O O   . HOH O 4 .   ? -30.48383 -26.24525 -30.91687 1.000 50.10420  ? 661 HOH A O   1 
HETATM 1877 O O   . HOH O 4 .   ? -11.60105 -24.37439 -40.32239 1.000 37.90909  ? 662 HOH A O   1 
HETATM 1878 O O   . HOH O 4 .   ? -5.61130  -24.55788 -42.41277 1.000 51.08440  ? 663 HOH A O   1 
HETATM 1879 O O   . HOH O 4 .   ? -11.71186 -35.57477 -11.91363 1.000 51.16725  ? 664 HOH A O   1 
HETATM 1880 O O   . HOH O 4 .   ? -3.57227  -17.26819 -21.74370 1.000 43.64396  ? 665 HOH A O   1 
HETATM 1881 O O   . HOH O 4 .   ? -5.23106  -27.30630 -39.34373 1.000 50.22984  ? 666 HOH A O   1 
HETATM 1882 O O   . HOH O 4 .   ? -20.81141 -24.69814 -43.24946 1.000 63.19408  ? 667 HOH A O   1 
HETATM 1883 O O   . HOH O 4 .   ? -7.55335  -25.30449 -19.73286 1.000 44.56414  ? 668 HOH A O   1 
HETATM 1884 O O   . HOH O 4 .   ? -36.23853 -9.62384  -19.62597 1.000 52.16766  ? 669 HOH A O   1 
HETATM 1885 O O   . HOH O 4 .   ? -4.28115  -15.57318 -26.62718 1.000 48.50428  ? 670 HOH A O   1 
HETATM 1886 O O   . HOH O 4 .   ? -12.67820 -32.76148 -10.93801 1.000 65.50581  ? 671 HOH A O   1 
HETATM 1887 O O   . HOH O 4 .   ? -39.30095 -3.10011  -37.54150 1.000 59.80118  ? 672 HOH A O   1 
HETATM 1888 O O   . HOH O 4 .   ? -30.39004 -23.89262 -41.98518 1.000 66.84699  ? 673 HOH A O   1 
HETATM 1889 O O   . HOH O 4 .   ? -9.02532  -23.15846 -18.67189 1.000 54.87218  ? 674 HOH A O   1 
HETATM 1890 O O   . HOH O 4 .   ? -35.98770 -8.67544  -38.18232 1.000 60.03762  ? 675 HOH A O   1 
HETATM 1891 O O   . HOH O 4 .   ? -8.06715  -25.03072 -44.49072 1.000 52.51946  ? 676 HOH A O   1 
HETATM 1892 O O   . HOH O 4 .   ? -12.42750 -16.00853 -35.66879 1.000 53.14877  ? 677 HOH A O   1 
HETATM 1893 O O   . HOH O 4 .   ? -5.76039  -28.07392 -42.15012 1.000 55.11952  ? 678 HOH A O   1 
HETATM 1894 O O   . HOH O 4 .   ? -17.20742 -33.37468 -25.94326 1.000 45.74389  ? 679 HOH A O   1 
HETATM 1895 O O   . HOH O 4 .   ? -35.09702 -22.76845 -20.37059 1.000 44.55723  ? 680 HOH A O   1 
HETATM 1896 O O   . HOH O 4 .   ? -18.34227 -35.37430 -29.86133 1.000 67.56740  ? 681 HOH A O   1 
HETATM 1897 O O   . HOH P 4 .   ? -16.72824 -2.97894  -37.40816 1.000 51.16191  ? 601 HOH B O   1 
HETATM 1898 O O   . HOH P 4 .   ? 5.82906   -14.79109 -50.82366 1.000 51.16953  ? 602 HOH B O   1 
HETATM 1899 O O   . HOH P 4 .   ? -5.68466  -16.49699 -55.21734 1.000 56.63814  ? 603 HOH B O   1 
HETATM 1900 O O   . HOH P 4 .   ? -23.56022 -13.30245 -31.47883 1.000 43.81242  ? 604 HOH B O   1 
HETATM 1901 O O   . HOH P 4 .   ? -9.37494  3.04817   -35.80571 1.000 49.66411  ? 605 HOH B O   1 
HETATM 1902 O O   . HOH P 4 .   ? -15.28534 -21.68967 -52.19208 1.000 57.87562  ? 606 HOH B O   1 
HETATM 1903 O O   . HOH P 4 .   ? -3.69160  -31.03986 -58.83199 1.000 68.44566  ? 607 HOH B O   1 
HETATM 1904 O O   . HOH P 4 .   ? -10.02661 -5.03106  -29.65610 1.000 47.16898  ? 608 HOH B O   1 
HETATM 1905 O O   . HOH P 4 .   ? -15.08203 -2.89602  -25.49008 1.000 64.11879  ? 609 HOH B O   1 
HETATM 1906 O O   . HOH P 4 .   ? -3.52393  -2.55910  -33.78799 1.000 65.21741  ? 610 HOH B O   1 
HETATM 1907 O O   . HOH P 4 .   ? 1.07089   -13.36607 -55.86273 1.000 55.88221  ? 611 HOH B O   1 
HETATM 1908 O O   . HOH P 4 .   ? -9.28505  -22.77430 -43.34786 1.000 32.13777  ? 612 HOH B O   1 
HETATM 1909 O O   . HOH P 4 .   ? -15.96973 -14.92399 -35.12726 1.000 35.77556  ? 613 HOH B O   1 
HETATM 1910 O O   . HOH P 4 .   ? -3.23929  -12.12910 -53.03278 1.000 49.98379  ? 614 HOH B O   1 
HETATM 1911 O O   . HOH P 4 .   ? 3.87937   -18.17144 -51.85546 1.000 41.27139  ? 615 HOH B O   1 
HETATM 1912 O O   . HOH P 4 .   ? -18.05173 -15.96199 -42.87683 1.000 45.15797  ? 616 HOH B O   1 
HETATM 1913 O O   . HOH P 4 .   ? -15.73126 -4.38511  -40.67762 1.000 46.55576  ? 617 HOH B O   1 
HETATM 1914 O O   . HOH P 4 .   ? -11.94105 -23.32706 -42.42083 1.000 34.07804  ? 618 HOH B O   1 
HETATM 1915 O O   . HOH P 4 .   ? -10.74822 -24.68988 -46.84342 1.000 43.75550  ? 619 HOH B O   1 
HETATM 1916 O O   . HOH P 4 .   ? -24.04233 -8.51818  -28.19524 1.000 56.71895  ? 620 HOH B O   1 
HETATM 1917 O O   . HOH P 4 .   ? -14.95199 5.98430   -31.53181 1.000 51.22686  ? 621 HOH B O   1 
HETATM 1918 O O   . HOH P 4 .   ? -22.15207 -2.91119  -29.73711 1.000 70.01432  ? 622 HOH B O   1 
HETATM 1919 O O   . HOH P 4 .   ? -14.87009 -18.75807 -46.46316 1.000 40.00671  ? 623 HOH B O   1 
HETATM 1920 O O   . HOH P 4 .   ? -6.88941  -0.56220  -41.75683 1.000 54.50360  ? 624 HOH B O   1 
HETATM 1921 O O   . HOH P 4 .   ? -22.56387 -8.32808  -35.84642 1.000 61.58971  ? 625 HOH B O   1 
HETATM 1922 O O   . HOH P 4 .   ? -6.71752  7.65552   -31.85399 1.000 72.59309  ? 626 HOH B O   1 
HETATM 1923 O O   . HOH P 4 .   ? 4.58157   -10.65217 -51.08254 1.000 58.80472  ? 627 HOH B O   1 
HETATM 1924 O O   . HOH P 4 .   ? -12.86498 6.45958   -42.40177 1.000 60.36184  ? 628 HOH B O   1 
HETATM 1925 O O   . HOH P 4 .   ? -19.03157 -6.50509  -22.17164 1.000 61.56613  ? 629 HOH B O   1 
HETATM 1926 O O   . HOH P 4 .   ? 0.84742   -5.42874  -42.90609 1.000 69.17454  ? 630 HOH B O   1 
HETATM 1927 O O   . HOH P 4 .   ? -12.04309 -25.80104 -54.60301 1.000 55.96225  ? 631 HOH B O   1 
HETATM 1928 O O   . HOH P 4 .   ? 4.46808   -10.26682 -43.64874 1.000 48.45966  ? 632 HOH B O   1 
HETATM 1929 O O   . HOH P 4 .   ? 7.42491   -11.23910 -50.66012 1.000 69.06302  ? 633 HOH B O   1 
HETATM 1930 O O   . HOH P 4 .   ? 3.34654   -29.28603 -47.58777 1.000 69.98705  ? 634 HOH B O   1 
HETATM 1931 O O   . HOH P 4 .   ? 3.21516   -16.35090 -56.29931 1.000 53.45557  ? 635 HOH B O   1 
HETATM 1932 O O   . HOH P 4 .   ? -0.63995  -3.80827  -44.55450 1.000 65.44629  ? 636 HOH B O   1 
HETATM 1933 O O   . HOH P 4 .   ? -15.86364 -3.87494  -43.18286 1.000 56.31728  ? 637 HOH B O   1 
HETATM 1934 O O   . HOH P 4 .   ? -22.87389 -6.08037  -29.07248 1.000 60.36659  ? 638 HOH B O   1 
HETATM 1935 O O   . HOH P 4 .   ? -1.19240  -3.72447  -38.87947 1.000 60.38463  ? 639 HOH B O   1 
HETATM 1936 O O   . HOH P 4 .   ? -8.94223  0.25488   -32.98440 1.000 58.32729  ? 640 HOH B O   1 
HETATM 1937 O O   . HOH P 4 .   ? 0.09559   -10.27317 -53.98287 1.000 57.25080  ? 641 HOH B O   1 
HETATM 1938 O O   . HOH P 4 .   ? 15.94524  -14.15018 -51.13442 1.000 68.58984  ? 642 HOH B O   1 
HETATM 1939 O O   . HOH P 4 .   ? -36.16015 -12.45518 -18.77424 1.000 63.60100  ? 643 HOH B O   1 
HETATM 1940 O O   . HOH P 4 .   ? 12.76677  -16.92664 -47.26975 1.000 64.98841  ? 644 HOH B O   1 
HETATM 1941 O O   . HOH P 4 .   ? -12.28825 13.21019  -37.29403 1.000 73.94229  ? 645 HOH B O   1 
HETATM 1942 O O   . HOH P 4 .   ? -20.16528 -3.30047  -34.72968 1.000 63.28361  ? 646 HOH B O   1 
HETATM 1943 O O   . HOH P 4 .   ? -32.74779 -4.79405  -28.46067 1.000 60.38856  ? 647 HOH B O   1 
HETATM 1944 O O   . HOH P 4 .   ? -20.44196 -13.06339 -33.18152 1.000 42.95518  ? 648 HOH B O   1 
HETATM 1945 O O   . HOH P 4 .   ? -3.63954  7.87141   -40.17715 1.000 62.94197  ? 649 HOH B O   1 
HETATM 1946 O O   . HOH P 4 .   ? 1.46116   -27.92174 -44.10189 1.000 60.11021  ? 650 HOH B O   1 
HETATM 1947 O O   . HOH P 4 .   ? -13.83517 -19.70339 -38.24716 1.000 47.84026  ? 651 HOH B O   1 
HETATM 1948 O O   . HOH P 4 .   ? -12.93957 -25.53322 -44.32459 1.000 52.26502  ? 652 HOH B O   1 
HETATM 1949 O O   . HOH P 4 .   ? 5.86067   -29.61833 -60.93241 1.000 61.48503  ? 653 HOH B 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 1   ? 0.47910 0.49115 0.46565 0.01138  0.00862  0.02344  311 GLY A N   
2    C CA  . GLY A 1   ? 0.37709 0.38644 0.36088 0.00931  0.01032  0.02711  311 GLY A CA  
3    C C   . GLY A 1   ? 0.31865 0.33423 0.31247 0.00924  0.00935  0.03075  311 GLY A C   
4    O O   . GLY A 1   ? 0.38715 0.40683 0.39172 0.01091  0.00768  0.03126  311 GLY A O   
5    N N   . LEU A 2   ? 0.31018 0.32877 0.30146 0.00715  0.01057  0.03334  312 LEU A N   
6    C CA  . LEU A 2   ? 0.33197 0.36185 0.33161 0.00664  0.00992  0.03865  312 LEU A CA  
7    C C   . LEU A 2   ? 0.37964 0.41142 0.37559 0.00894  0.00957  0.03865  312 LEU A C   
8    O O   . LEU A 2   ? 0.30922 0.33508 0.29510 0.00953  0.01080  0.03438  312 LEU A O   
9    C CB  . LEU A 2   ? 0.30372 0.34122 0.30092 0.00310  0.01121  0.04033  312 LEU A CB  
10   C CG  . LEU A 2   ? 0.39849 0.45255 0.40738 0.00129  0.01049  0.04864  312 LEU A CG  
11   C CD1 . LEU A 2   ? 0.37410 0.42706 0.39958 0.00138  0.00983  0.05254  312 LEU A CD1 
12   C CD2 . LEU A 2   ? 0.28805 0.34937 0.28982 -0.00240 0.01168  0.04711  312 LEU A CD2 
13   N N   . GLU A 3   ? 0.33395 0.37432 0.34103 0.01024  0.00829  0.04380  313 GLU A N   
14   C CA  . GLU A 3   ? 0.33742 0.38337 0.34303 0.01200  0.00828  0.04485  313 GLU A CA  
15   C C   . GLU A 3   ? 0.40578 0.46979 0.41328 0.00959  0.00920  0.05016  313 GLU A C   
16   O O   . GLU A 3   ? 0.33331 0.40749 0.35053 0.00776  0.00880  0.05751  313 GLU A O   
17   C CB  . GLU A 3   ? 0.38590 0.43229 0.40383 0.01492  0.00650  0.04774  313 GLU A CB  
18   C CG  . GLU A 3   ? 0.49693 0.53117 0.51123 0.01750  0.00522  0.04151  313 GLU A CG  
19   C CD  . GLU A 3   ? 0.60576 0.63847 0.63205 0.01732  0.00408  0.03971  313 GLU A CD  
20   O OE1 . GLU A 3   ? 0.68539 0.72528 0.72865 0.01607  0.00427  0.04468  313 GLU A OE1 
21   O OE2 . GLU A 3   ? 0.75546 0.78189 0.77599 0.01830  0.00325  0.03345  313 GLU A OE2 
22   N N   . CYS A 4   ? 0.27710 0.34759 0.27685 0.00953  0.01058  0.04643  314 CYS A N   
23   C CA  . CYS A 4   ? 0.36756 0.46047 0.36690 0.00671  0.01161  0.04945  314 CYS A CA  
24   C C   . CYS A 4   ? 0.39338 0.50330 0.40581 0.00771  0.01056  0.06198  314 CYS A C   
25   O O   . CYS A 4   ? 0.37963 0.48321 0.40025 0.01079  0.00966  0.06503  314 CYS A O   
26   C CB  . CYS A 4   ? 0.40690 0.50470 0.39688 0.00602  0.01403  0.03914  314 CYS A CB  
27   S SG  . CYS A 4   ? 0.40892 0.48770 0.39013 0.00483  0.01634  0.02542  314 CYS A SG  
28   N N   . ASP A 5   ? 0.34497 0.47844 0.36101 0.00504  0.01070  0.07012  315 ASP A N   
29   C CA  . ASP A 5   ? 0.44247 0.59594 0.47393 0.00582  0.01010  0.08566  315 ASP A CA  
30   C C   . ASP A 5   ? 0.31709 0.50185 0.34576 0.00228  0.01058  0.09204  315 ASP A C   
31   O O   . ASP A 5   ? 0.50395 0.69168 0.52049 -0.00076 0.01108  0.08299  315 ASP A O   
32   C CB  . ASP A 5   ? 0.50805 0.65163 0.56012 0.00729  0.00867  0.09542  315 ASP A CB  
33   C CG  . ASP A 5   ? 0.72288 0.86600 0.79242 0.01053  0.00842  0.10299  315 ASP A CG  
34   O OD1 . ASP A 5   ? 0.64845 0.80054 0.71308 0.01170  0.00921  0.10297  315 ASP A OD1 
35   O OD2 . ASP A 5   ? 0.62478 0.75855 0.71470 0.01179  0.00774  0.10751  315 ASP A OD2 
36   N N   . GLY A 6   ? 0.40435 0.61493 0.44530 0.00259  0.01050  0.10798  316 GLY A N   
37   C CA  . GLY A 6   ? 0.44528 0.69174 0.48487 -0.00074 0.01052  0.11702  316 GLY A CA  
38   C C   . GLY A 6   ? 0.56961 0.81605 0.60876 -0.00355 0.00930  0.11751  316 GLY A C   
39   O O   . GLY A 6   ? 0.44542 0.67645 0.49965 -0.00244 0.00818  0.12509  316 GLY A O   
40   N N   . LYS A 7   ? 0.41386 0.67771 0.43743 -0.00736 0.00974  0.10776  317 LYS A N   
41   C CA  . LYS A 7   ? 0.49705 0.76813 0.51885 -0.01073 0.00859  0.10774  317 LYS A CA  
42   C C   . LYS A 7   ? 0.38049 0.61588 0.39619 -0.01091 0.00883  0.09328  317 LYS A C   
43   O O   . LYS A 7   ? 0.53655 0.77615 0.55105 -0.01375 0.00810  0.09229  317 LYS A O   
44   C CB  . LYS A 7   ? 0.67237 0.95781 0.71590 -0.00999 0.00546  0.12954  317 LYS A CB  
45   C CG  . LYS A 7   ? 0.62349 0.94613 0.67660 -0.00923 0.00110  0.14086  317 LYS A CG  
46   C CD  . LYS A 7   ? 0.74412 1.08061 0.81842 -0.00820 -0.00343 0.15906  317 LYS A CD  
47   C CE  . LYS A 7   ? 0.89782 1.24962 0.98471 -0.00623 -0.00412 0.17343  317 LYS A CE  
48   N NZ  . LYS A 7   ? 0.79517 1.12668 0.90475 -0.00317 -0.00393 0.18904  317 LYS A NZ  
49   N N   . VAL A 8   ? 0.44175 0.64504 0.45390 -0.00808 0.00980  0.08306  318 VAL A N   
50   C CA  . VAL A 8   ? 0.54519 0.71905 0.54955 -0.00841 0.01051  0.06939  318 VAL A CA  
51   C C   . VAL A 8   ? 0.44720 0.62500 0.43695 -0.01129 0.01261  0.05208  318 VAL A C   
52   O O   . VAL A 8   ? 0.46092 0.63992 0.44520 -0.01046 0.01431  0.04331  318 VAL A O   
53   C CB  . VAL A 8   ? 0.44461 0.58813 0.45101 -0.00436 0.01066  0.06600  318 VAL A CB  
54   C CG1 . VAL A 8   ? 0.27184 0.38886 0.27011 -0.00465 0.01159  0.05415  318 VAL A CG1 
55   C CG2 . VAL A 8   ? 0.44702 0.58822 0.47228 -0.00192 0.00909  0.08011  318 VAL A CG2 
56   N N   . ASN A 9   ? 0.45203 0.63029 0.43822 -0.01466 0.01288  0.04601  319 ASN A N   
57   C CA  . ASN A 9   ? 0.43196 0.61492 0.40942 -0.01798 0.01530  0.02833  319 ASN A CA  
58   C C   . ASN A 9   ? 0.57787 0.72928 0.55279 -0.01776 0.01730  0.01693  319 ASN A C   
59   O O   . ASN A 9   ? 0.60337 0.75539 0.57586 -0.02031 0.02001  0.00171  319 ASN A O   
60   C CB  . ASN A 9   ? 0.66752 0.88184 0.64427 -0.02282 0.01441  0.02842  319 ASN A CB  
61   C CG  . ASN A 9   ? 0.80205 1.05597 0.77714 -0.02447 0.01411  0.03083  319 ASN A CG  
62   O OD1 . ASN A 9   ? 0.94768 1.21350 0.92776 -0.02199 0.01267  0.04645  319 ASN A OD1 
63   N ND2 . ASN A 9   ? 0.93464 1.21142 0.90428 -0.02888 0.01581  0.01478  319 ASN A ND2 
64   N N   . ILE A 10  ? 0.39397 0.52019 0.37141 -0.01497 0.01643  0.02348  320 ILE A N   
65   C CA  . ILE A 10  ? 0.31803 0.41813 0.29324 -0.01478 0.01836  0.01577  320 ILE A CA  
66   C C   . ILE A 10  ? 0.39087 0.46978 0.36491 -0.01051 0.01919  0.01426  320 ILE A C   
67   O O   . ILE A 10  ? 0.30699 0.38900 0.28228 -0.00765 0.01791  0.01921  320 ILE A O   
68   C CB  . ILE A 10  ? 0.29524 0.38628 0.27351 -0.01536 0.01717  0.02275  320 ILE A CB  
69   C CG1 . ILE A 10  ? 0.31271 0.40083 0.29785 -0.01208 0.01475  0.03506  320 ILE A CG1 
70   C CG2 . ILE A 10  ? 0.33612 0.44735 0.31607 -0.01988 0.01658  0.02297  320 ILE A CG2 
71   C CD1 . ILE A 10  ? 0.30432 0.38236 0.29560 -0.01216 0.01419  0.03990  320 ILE A CD1 
72   N N   . CYS A 11  ? 0.26035 0.31920 0.23324 -0.01011 0.02144  0.00819  321 CYS A N   
73   C CA  . CYS A 11  ? 0.26702 0.30761 0.23957 -0.00613 0.02224  0.00788  321 CYS A CA  
74   C C   . CYS A 11  ? 0.34797 0.38661 0.32055 -0.00247 0.01918  0.01701  321 CYS A C   
75   O O   . CYS A 11  ? 0.36058 0.39793 0.33483 -0.00237 0.01731  0.02346  321 CYS A O   
76   C CB  . CYS A 11  ? 0.23696 0.25887 0.20943 -0.00602 0.02418  0.00714  321 CYS A CB  
77   S SG  . CYS A 11  ? 0.35919 0.36241 0.33219 -0.00113 0.02504  0.00986  321 CYS A SG  
78   N N   . CYS A 12  ? 0.25924 0.29826 0.23249 0.00040  0.01894  0.01652  322 CYS A N   
79   C CA  . CYS A 12  ? 0.27488 0.31213 0.25040 0.00387  0.01621  0.02379  322 CYS A CA  
80   C C   . CYS A 12  ? 0.32813 0.35890 0.30366 0.00741  0.01657  0.02147  322 CYS A C   
81   O O   . CYS A 12  ? 0.27636 0.30696 0.25222 0.00716  0.01913  0.01458  322 CYS A O   
82   C CB  . CYS A 12  ? 0.22890 0.28486 0.20992 0.00301  0.01442  0.03071  322 CYS A CB  
83   S SG  . CYS A 12  ? 0.34883 0.42952 0.32841 0.00039  0.01605  0.02677  322 CYS A SG  
84   N N   . LYS A 13  ? 0.30946 0.33661 0.28738 0.01063  0.01407  0.02663  323 LYS A N   
85   C CA  . LYS A 13  ? 0.28179 0.30325 0.26051 0.01436  0.01366  0.02592  323 LYS A CA  
86   C C   . LYS A 13  ? 0.41836 0.45256 0.40131 0.01511  0.01339  0.02700  323 LYS A C   
87   O O   . LYS A 13  ? 0.31835 0.36326 0.30646 0.01459  0.01183  0.03297  323 LYS A O   
88   C CB  . LYS A 13  ? 0.25325 0.26707 0.23275 0.01718  0.01093  0.02950  323 LYS A CB  
89   C CG  . LYS A 13  ? 0.36674 0.37566 0.34684 0.02109  0.01016  0.02932  323 LYS A CG  
90   C CD  . LYS A 13  ? 0.40300 0.40696 0.38181 0.02356  0.00766  0.03127  323 LYS A CD  
91   C CE  . LYS A 13  ? 0.37185 0.38216 0.35762 0.02437  0.00471  0.03206  323 LYS A CE  
92   N NZ  . LYS A 13  ? 0.29877 0.30831 0.28413 0.02756  0.00209  0.03162  323 LYS A NZ  
93   N N   . LYS A 14  ? 0.34578 0.37929 0.32911 0.01650  0.01526  0.02196  324 LYS A N   
94   C CA  . LYS A 14  ? 0.31312 0.35867 0.30022 0.01758  0.01559  0.02195  324 LYS A CA  
95   C C   . LYS A 14  ? 0.27875 0.31452 0.26890 0.02185  0.01508  0.02130  324 LYS A C   
96   O O   . LYS A 14  ? 0.31218 0.33422 0.30209 0.02365  0.01553  0.01945  324 LYS A O   
97   C CB  . LYS A 14  ? 0.39146 0.45159 0.37805 0.01447  0.01912  0.01374  324 LYS A CB  
98   C CG  . LYS A 14  ? 0.63766 0.72156 0.62405 0.01163  0.01869  0.01843  324 LYS A CG  
99   C CD  . LYS A 14  ? 0.67817 0.77490 0.66105 0.00697  0.02085  0.01132  324 LYS A CD  
100  C CE  . LYS A 14  ? 0.73300 0.82355 0.71745 0.00616  0.02472  -0.00351 324 LYS A CE  
101  N NZ  . LYS A 14  ? 0.95794 1.06573 0.94121 0.00104  0.02710  -0.01330 324 LYS A NZ  
102  N N   . GLN A 15  ? 0.29165 0.33619 0.28622 0.02357  0.01429  0.02401  325 GLN A N   
103  C CA  . GLN A 15  ? 0.33444 0.37137 0.33288 0.02763  0.01355  0.02366  325 GLN A CA  
104  C C   . GLN A 15  ? 0.28099 0.31808 0.28233 0.02786  0.01744  0.01520  325 GLN A C   
105  O O   . GLN A 15  ? 0.35028 0.39858 0.35129 0.02459  0.02076  0.00831  325 GLN A O   
106  C CB  . GLN A 15  ? 0.38991 0.43559 0.39449 0.02933  0.01134  0.02982  325 GLN A CB  
107  C CG  . GLN A 15  ? 0.47215 0.53281 0.48078 0.02930  0.01352  0.02903  325 GLN A CG  
108  C CD  . GLN A 15  ? 0.50661 0.57308 0.52427 0.03139  0.01121  0.03696  325 GLN A CD  
109  O OE1 . GLN A 15  ? 0.27840 0.33658 0.30021 0.03477  0.00943  0.03683  325 GLN A OE1 
110  N NE2 . GLN A 15  ? 0.32069 0.40253 0.34364 0.02940  0.01131  0.04463  325 GLN A NE2 
111  N N   . PHE A 16  ? 0.35072 0.37600 0.35663 0.03153  0.01719  0.01500  326 PHE A N   
112  C CA  . PHE A 16  ? 0.29819 0.32200 0.31264 0.03244  0.02117  0.00719  326 PHE A CA  
113  C C   . PHE A 16  ? 0.33115 0.34655 0.35216 0.03743  0.01932  0.01150  326 PHE A C   
114  O O   . PHE A 16  ? 0.29448 0.29861 0.31530 0.03987  0.01695  0.01770  326 PHE A O   
115  C CB  . PHE A 16  ? 0.37133 0.38656 0.38974 0.03066  0.02460  0.00148  326 PHE A CB  
116  C CG  . PHE A 16  ? 0.57712 0.59072 0.61035 0.03152  0.02937  -0.00776 326 PHE A CG  
117  C CD1 . PHE A 16  ? 0.60654 0.63541 0.64412 0.03018  0.03240  -0.01746 326 PHE A CD1 
118  C CD2 . PHE A 16  ? 0.56582 0.56430 0.61117 0.03404  0.03097  -0.00573 326 PHE A CD2 
119  C CE1 . PHE A 16  ? 0.63851 0.66672 0.69300 0.03089  0.03740  -0.02821 326 PHE A CE1 
120  C CE2 . PHE A 16  ? 0.62821 0.62453 0.69286 0.03509  0.03587  -0.01416 326 PHE A CE2 
121  C CZ  . PHE A 16  ? 0.60157 0.61223 0.67118 0.03342  0.03921  -0.02681 326 PHE A CZ  
122  N N   . PHE A 17  ? 0.31663 0.33980 0.34358 0.03888  0.02044  0.00866  327 PHE A N   
123  C CA  . PHE A 17  ? 0.21024 0.22743 0.24456 0.04360  0.01861  0.01255  327 PHE A CA  
124  C C   . PHE A 17  ? 0.31306 0.32274 0.36110 0.04521  0.02274  0.00708  327 PHE A C   
125  O O   . PHE A 17  ? 0.30973 0.32651 0.36519 0.04313  0.02784  -0.00386 327 PHE A O   
126  C CB  . PHE A 17  ? 0.29643 0.32563 0.33288 0.04450  0.01810  0.01269  327 PHE A CB  
127  C CG  . PHE A 17  ? 0.29049 0.31477 0.33565 0.04923  0.01634  0.01569  327 PHE A CG  
128  C CD1 . PHE A 17  ? 0.32711 0.34560 0.37042 0.05214  0.01093  0.02382  327 PHE A CD1 
129  C CD2 . PHE A 17  ? 0.27293 0.30049 0.32933 0.05060  0.02024  0.00922  327 PHE A CD2 
130  C CE1 . PHE A 17  ? 0.28738 0.30384 0.33895 0.05639  0.00895  0.02665  327 PHE A CE1 
131  C CE2 . PHE A 17  ? 0.27853 0.30207 0.34455 0.05512  0.01863  0.01242  327 PHE A CE2 
132  C CZ  . PHE A 17  ? 0.28210 0.30025 0.34520 0.05809  0.01265  0.02187  327 PHE A CZ  
133  N N   . VAL A 18  ? 0.26710 0.26476 0.32068 0.04877  0.02086  0.01457  328 VAL A N   
134  C CA  . VAL A 18  ? 0.23939 0.22895 0.31184 0.05110  0.02476  0.01272  328 VAL A CA  
135  C C   . VAL A 18  ? 0.32463 0.31570 0.40684 0.05548  0.02358  0.01506  328 VAL A C   
136  O O   . VAL A 18  ? 0.31218 0.30310 0.38915 0.05868  0.01809  0.02497  328 VAL A O   
137  C CB  . VAL A 18  ? 0.26091 0.23939 0.33675 0.05280  0.02362  0.02305  328 VAL A CB  
138  C CG1 . VAL A 18  ? 0.30430 0.27493 0.40530 0.05611  0.02749  0.02489  328 VAL A CG1 
139  C CG2 . VAL A 18  ? 0.33765 0.31382 0.40586 0.04852  0.02528  0.02062  328 VAL A CG2 
140  N N   . SER A 19  ? 0.24662 0.24084 0.34404 0.05549  0.02877  0.00482  329 SER A N   
141  C CA  . SER A 19  ? 0.30326 0.29750 0.41443 0.05982  0.02870  0.00640  329 SER A CA  
142  C C   . SER A 19  ? 0.29143 0.27495 0.42789 0.06254  0.03262  0.00748  329 SER A C   
143  O O   . SER A 19  ? 0.38670 0.36889 0.53797 0.05997  0.03918  -0.00429 329 SER A O   
144  C CB  . SER A 19  ? 0.25751 0.26505 0.37074 0.05805  0.03236  -0.00592 329 SER A CB  
145  O OG  . SER A 19  ? 0.39261 0.39862 0.52509 0.06186  0.03441  -0.00755 329 SER A OG  
146  N N   . PHE A 20  ? 0.34148 0.31907 0.48543 0.06760  0.02879  0.02172  330 PHE A N   
147  C CA  . PHE A 20  ? 0.38683 0.35496 0.55888 0.07054  0.03262  0.02649  330 PHE A CA  
148  C C   . PHE A 20  ? 0.35543 0.32418 0.55367 0.07166  0.03883  0.01456  330 PHE A C   
149  O O   . PHE A 20  ? 0.51376 0.47543 0.74055 0.07202  0.04503  0.01054  330 PHE A O   
150  C CB  . PHE A 20  ? 0.34753 0.31362 0.52156 0.07578  0.02670  0.04721  330 PHE A CB  
151  C CG  . PHE A 20  ? 0.34856 0.31525 0.50232 0.07454  0.02211  0.05797  330 PHE A CG  
152  C CD1 . PHE A 20  ? 0.31274 0.27304 0.46938 0.07154  0.02590  0.05716  330 PHE A CD1 
153  C CD2 . PHE A 20  ? 0.35116 0.32624 0.48416 0.07597  0.01436  0.06696  330 PHE A CD2 
154  C CE1 . PHE A 20  ? 0.37211 0.33415 0.50996 0.07023  0.02207  0.06643  330 PHE A CE1 
155  C CE2 . PHE A 20  ? 0.30341 0.28150 0.41829 0.07443  0.01063  0.07445  330 PHE A CE2 
156  C CZ  . PHE A 20  ? 0.28230 0.25365 0.39906 0.07162  0.01460  0.07468  330 PHE A CZ  
157  N N   . LYS A 21  ? 0.46404 0.44186 0.65580 0.07201  0.03792  0.00800  331 LYS A N   
158  C CA  . LYS A 21  ? 0.58890 0.57025 0.80429 0.07216  0.04475  -0.00665 331 LYS A CA  
159  C C   . LYS A 21  ? 0.61884 0.60375 0.84266 0.06672  0.05256  -0.02624 331 LYS A C   
160  O O   . LYS A 21  ? 0.62304 0.60372 0.87855 0.06694  0.05958  -0.03606 331 LYS A O   
161  C CB  . LYS A 21  ? 0.44128 0.43473 0.64482 0.07258  0.04277  -0.01076 331 LYS A CB  
162  C CG  . LYS A 21  ? 0.61709 0.61538 0.84608 0.07366  0.04936  -0.02401 331 LYS A CG  
163  C CD  . LYS A 21  ? 0.65020 0.66362 0.86630 0.07297  0.04863  -0.02966 331 LYS A CD  
164  C CE  . LYS A 21  ? 0.75531 0.76767 0.95522 0.07650  0.03990  -0.01269 331 LYS A CE  
165  N NZ  . LYS A 21  ? 0.71273 0.72247 0.93241 0.08196  0.03906  -0.00743 331 LYS A NZ  
166  N N   . ASP A 22  ? 0.60028 0.59403 0.79849 0.06170  0.05148  -0.03223 332 ASP A N   
167  C CA  . ASP A 22  ? 0.56624 0.56777 0.76975 0.05600  0.05817  -0.05151 332 ASP A CA  
168  C C   . ASP A 22  ? 0.52981 0.51793 0.76197 0.05600  0.06328  -0.05432 332 ASP A C   
169  O O   . ASP A 22  ? 0.96937 0.96040 1.22993 0.05437  0.07118  -0.07216 332 ASP A O   
170  C CB  . ASP A 22  ? 0.73342 0.74389 0.90580 0.05134  0.05479  -0.05114 332 ASP A CB  
171  C CG  . ASP A 22  ? 0.83696 0.86473 0.98778 0.05020  0.05196  -0.05142 332 ASP A CG  
172  O OD1 . ASP A 22  ? 0.82884 0.86041 0.98626 0.05326  0.05196  -0.05079 332 ASP A OD1 
173  O OD2 . ASP A 22  ? 0.92460 0.96279 1.05406 0.04630  0.04998  -0.05138 332 ASP A OD2 
174  N N   . ILE A 23  ? 0.62741 0.60233 0.85463 0.05754  0.05934  -0.03751 333 ILE A N   
175  C CA  . ILE A 23  ? 0.41559 0.37867 0.66959 0.05703  0.06429  -0.03798 333 ILE A CA  
176  C C   . ILE A 23  ? 0.59095 0.54213 0.88051 0.06294  0.06632  -0.02668 333 ILE A C   
177  O O   . ILE A 23  ? 0.59975 0.53972 0.91641 0.06389  0.06994  -0.02052 333 ILE A O   
178  C CB  . ILE A 23  ? 0.67026 0.62760 0.90278 0.05545  0.05986  -0.02522 333 ILE A CB  
179  C CG1 . ILE A 23  ? 0.58844 0.53900 0.80918 0.06069  0.05228  0.00047  333 ILE A CG1 
180  C CG2 . ILE A 23  ? 0.71275 0.68294 0.91215 0.05014  0.05747  -0.03460 333 ILE A CG2 
181  C CD1 . ILE A 23  ? 0.59512 0.53652 0.81868 0.06091  0.05159  0.01464  333 ILE A CD1 
182  N N   . GLY A 24  ? 0.48405 0.43859 0.77674 0.06694  0.06441  -0.02339 334 GLY A N   
183  C CA  . GLY A 24  ? 0.48597 0.43261 0.81446 0.07202  0.06666  -0.01466 334 GLY A CA  
184  C C   . GLY A 24  ? 0.57450 0.51452 0.89995 0.07602  0.05970  0.01449  334 GLY A C   
185  O O   . GLY A 24  ? 0.57774 0.51531 0.92656 0.07610  0.06035  0.02399  334 GLY A O   
186  N N   . TRP A 25  ? 0.47618 0.41696 0.77211 0.07799  0.05290  0.02856  335 TRP A N   
187  C CA  . TRP A 25  ? 0.40992 0.34980 0.70137 0.08141  0.04644  0.05496  335 TRP A CA  
188  C C   . TRP A 25  ? 0.38176 0.32983 0.65866 0.08563  0.03884  0.06612  335 TRP A C   
189  O O   . TRP A 25  ? 0.43771 0.39075 0.70584 0.08740  0.03264  0.08601  335 TRP A O   
190  C CB  . TRP A 25  ? 0.43451 0.37402 0.70086 0.07989  0.04295  0.06322  335 TRP A CB  
191  C CG  . TRP A 25  ? 0.60622 0.53760 0.88872 0.07618  0.04968  0.05660  335 TRP A CG  
192  C CD1 . TRP A 25  ? 0.54182 0.46821 0.85686 0.07293  0.05807  0.04192  335 TRP A CD1 
193  C CD2 . TRP A 25  ? 0.59154 0.52162 0.85602 0.07311  0.04821  0.06221  335 TRP A CD2 
194  N NE1 . TRP A 25  ? 0.59151 0.51244 0.91313 0.06915  0.06214  0.03858  335 TRP A NE1 
195  C CE2 . TRP A 25  ? 0.47850 0.40026 0.77034 0.06996  0.05650  0.05169  335 TRP A CE2 
196  C CE3 . TRP A 25  ? 0.58594 0.52194 0.81556 0.07248  0.04106  0.07352  335 TRP A CE3 
197  C CZ2 . TRP A 25  ? 0.48945 0.40794 0.77366 0.06640  0.05755  0.05364  335 TRP A CZ2 
198  C CZ3 . TRP A 25  ? 0.60422 0.53717 0.82606 0.06900  0.04234  0.07527  335 TRP A CZ3 
199  C CH2 . TRP A 25  ? 0.68798 0.61191 0.93633 0.06609  0.05037  0.06616  335 TRP A CH2 
200  N N   . ASN A 26  ? 0.43938 0.39170 0.71306 0.08675  0.03923  0.05316  336 ASN A N   
201  C CA  . ASN A 26  ? 0.44124 0.40144 0.70417 0.09040  0.03228  0.06262  336 ASN A CA  
202  C C   . ASN A 26  ? 0.37173 0.33232 0.65671 0.09119  0.03206  0.07296  336 ASN A C   
203  O O   . ASN A 26  ? 0.51402 0.48195 0.79224 0.09390  0.02630  0.08132  336 ASN A O   
204  C CB  . ASN A 26  ? 0.43724 0.40395 0.68796 0.08865  0.03299  0.04524  336 ASN A CB  
205  C CG  . ASN A 26  ? 0.51203 0.47676 0.79137 0.08777  0.04204  0.02736  336 ASN A CG  
206  O OD1 . ASN A 26  ? 0.48474 0.44421 0.78126 0.08485  0.04913  0.01662  336 ASN A OD1 
207  N ND2 . ASN A 26  ? 0.52079 0.49107 0.80700 0.09004  0.04217  0.02268  336 ASN A ND2 
208  N N   . ASP A 27  ? 0.49799 0.45186 0.81158 0.08855  0.03863  0.07182  337 ASP A N   
209  C CA  . ASP A 27  ? 0.59534 0.55017 0.93494 0.08894  0.03940  0.08400  337 ASP A CA  
210  C C   . ASP A 27  ? 0.44314 0.40456 0.77607 0.09045  0.03366  0.10906  337 ASP A C   
211  O O   . ASP A 27  ? 0.51014 0.47777 0.85659 0.09199  0.03176  0.12278  337 ASP A O   
212  C CB  . ASP A 27  ? 0.61182 0.55892 0.98822 0.08481  0.04901  0.07387  337 ASP A CB  
213  C CG  . ASP A 27  ? 0.76794 0.71384 1.15805 0.08285  0.05508  0.04944  337 ASP A CG  
214  O OD1 . ASP A 27  ? 0.59359 0.54455 0.97592 0.08541  0.05227  0.04662  337 ASP A OD1 
215  O OD2 . ASP A 27  ? 1.07641 1.01833 1.48442 0.07831  0.06268  0.03204  337 ASP A OD2 
216  N N   . TRP A 28  ? 0.36409 0.32622 0.67782 0.08977  0.03132  0.11525  338 TRP A N   
217  C CA  . TRP A 28  ? 0.43792 0.41056 0.74313 0.09081  0.02607  0.13781  338 TRP A CA  
218  C C   . TRP A 28  ? 0.35456 0.33652 0.62122 0.09215  0.01790  0.14191  338 TRP A C   
219  O O   . TRP A 28  ? 0.41123 0.40709 0.66785 0.09310  0.01255  0.15888  338 TRP A O   
220  C CB  . TRP A 28  ? 0.32301 0.29178 0.64911 0.08796  0.03175  0.14622  338 TRP A CB  
221  C CG  . TRP A 28  ? 0.43346 0.39206 0.75182 0.08518  0.03556  0.13359  338 TRP A CG  
222  C CD1 . TRP A 28  ? 0.55372 0.50049 0.88522 0.08263  0.04245  0.11169  338 TRP A CD1 
223  C CD2 . TRP A 28  ? 0.46692 0.42822 0.76282 0.08435  0.03288  0.14097  338 TRP A CD2 
224  N NE1 . TRP A 28  ? 0.49931 0.44077 0.81802 0.08045  0.04405  0.10549  338 TRP A NE1 
225  C CE2 . TRP A 28  ? 0.52527 0.47425 0.82213 0.08154  0.03826  0.12364  338 TRP A CE2 
226  C CE3 . TRP A 28  ? 0.43194 0.40686 0.70674 0.08535  0.02663  0.15918  338 TRP A CE3 
227  C CZ2 . TRP A 28  ? 0.47182 0.41941 0.75005 0.07999  0.03751  0.12554  338 TRP A CZ2 
228  C CZ3 . TRP A 28  ? 0.45751 0.43199 0.71339 0.08356  0.02605  0.16023  338 TRP A CZ3 
229  C CH2 . TRP A 28  ? 0.55770 0.51740 0.81564 0.08103  0.03141  0.14421  338 TRP A CH2 
230  N N   . ILE A 29  ? 0.31352 0.29100 0.55998 0.09203  0.01698  0.12689  339 ILE A N   
231  C CA  . ILE A 29  ? 0.32083 0.30823 0.53393 0.09290  0.00940  0.12949  339 ILE A CA  
232  C C   . ILE A 29  ? 0.39260 0.38727 0.59580 0.09531  0.00427  0.12403  339 ILE A C   
233  O O   . ILE A 29  ? 0.42780 0.41582 0.63670 0.09567  0.00750  0.10954  339 ILE A O   
234  C CB  . ILE A 29  ? 0.38238 0.36249 0.58040 0.09107  0.01147  0.11909  339 ILE A CB  
235  C CG1 . ILE A 29  ? 0.37939 0.35271 0.58636 0.08842  0.01627  0.12426  339 ILE A CG1 
236  C CG2 . ILE A 29  ? 0.33936 0.33116 0.50493 0.09085  0.00391  0.12036  339 ILE A CG2 
237  C CD1 . ILE A 29  ? 0.40103 0.36408 0.60097 0.08491  0.02097  0.10825  339 ILE A CD1 
238  N N   . ILE A 30  ? 0.38127 0.39174 0.57001 0.09669  -0.00346 0.13462  340 ILE A N   
239  C CA  . ILE A 30  ? 0.33524 0.35405 0.51697 0.09877  -0.00867 0.12993  340 ILE A CA  
240  C C   . ILE A 30  ? 0.29410 0.31611 0.45353 0.09834  -0.01206 0.11947  340 ILE A C   
241  O O   . ILE A 30  ? 0.41348 0.43276 0.57447 0.09909  -0.01128 0.10833  340 ILE A O   
242  C CB  . ILE A 30  ? 0.32587 0.36251 0.50586 0.10028  -0.01511 0.14439  340 ILE A CB  
243  C CG1 . ILE A 30  ? 0.40267 0.43653 0.60949 0.10084  -0.01090 0.15544  340 ILE A CG1 
244  C CG2 . ILE A 30  ? 0.42640 0.47286 0.59911 0.10220  -0.02099 0.13864  340 ILE A CG2 
245  C CD1 . ILE A 30  ? 0.39183 0.44541 0.59858 0.10167  -0.01559 0.17441  340 ILE A CD1 
246  N N   . ALA A 31  ? 0.29149 0.31983 0.43187 0.09685  -0.01500 0.12266  341 ALA A N   
247  C CA  . ALA A 31  ? 0.36868 0.40134 0.48473 0.09288  -0.01806 0.11020  341 ALA A CA  
248  C C   . ALA A 31  ? 0.34117 0.37337 0.44164 0.08917  -0.01735 0.11084  341 ALA A C   
249  O O   . ALA A 31  ? 0.34299 0.38060 0.44661 0.09075  -0.01785 0.12511  341 ALA A O   
250  C CB  . ALA A 31  ? 0.29763 0.34931 0.40516 0.09462  -0.02621 0.11191  341 ALA A CB  
251  N N   . PRO A 32  ? 0.37230 0.39898 0.45798 0.08438  -0.01582 0.09728  342 PRO A N   
252  C CA  . PRO A 32  ? 0.36925 0.39039 0.45259 0.08202  -0.01404 0.08260  342 PRO A CA  
253  C C   . PRO A 32  ? 0.45279 0.46081 0.55206 0.08207  -0.00684 0.07744  342 PRO A C   
254  O O   . PRO A 32  ? 0.38034 0.38087 0.49081 0.08261  -0.00271 0.08238  342 PRO A O   
255  C CB  . PRO A 32  ? 0.31654 0.33767 0.38202 0.07704  -0.01414 0.07496  342 PRO A CB  
256  C CG  . PRO A 32  ? 0.28652 0.30350 0.34980 0.07612  -0.01179 0.08236  342 PRO A CG  
257  C CD  . PRO A 32  ? 0.32323 0.35021 0.39436 0.08082  -0.01536 0.09752  342 PRO A CD  
258  N N   . SER A 33  ? 0.33065 0.33722 0.43410 0.08148  -0.00466 0.06736  343 SER A N   
259  C CA  . SER A 33  ? 0.36318 0.36119 0.48141 0.08080  0.00276  0.05964  343 SER A CA  
260  C C   . SER A 33  ? 0.30340 0.29748 0.41231 0.07545  0.00743  0.04936  343 SER A C   
261  O O   . SER A 33  ? 0.31308 0.30239 0.43431 0.07409  0.01398  0.04113  343 SER A O   
262  C CB  . SER A 33  ? 0.33555 0.33718 0.46234 0.08219  0.00383  0.05289  343 SER A CB  
263  O OG  . SER A 33  ? 0.47891 0.48886 0.59194 0.08107  -0.00079 0.05093  343 SER A OG  
264  N N   . GLY A 34  ? 0.24265 0.24035 0.33235 0.07235  0.00429  0.04882  344 GLY A N   
265  C CA  . GLY A 34  ? 0.24602 0.24194 0.32555 0.06732  0.00760  0.04147  344 GLY A CA  
266  C C   . GLY A 34  ? 0.35668 0.35614 0.41899 0.06541  0.00278  0.04525  344 GLY A C   
267  O O   . GLY A 34  ? 0.27337 0.27870 0.33192 0.06752  -0.00276 0.05046  344 GLY A O   
268  N N   . TYR A 35  ? 0.26192 0.25929 0.31531 0.06123  0.00504  0.04138  345 TYR A N   
269  C CA  . TYR A 35  ? 0.28549 0.28590 0.32492 0.05918  0.00124  0.04395  345 TYR A CA  
270  C C   . TYR A 35  ? 0.23638 0.23573 0.26801 0.05431  0.00428  0.03839  345 TYR A C   
271  O O   . TYR A 35  ? 0.31032 0.30643 0.34626 0.05241  0.00925  0.03313  345 TYR A O   
272  C CB  . TYR A 35  ? 0.34611 0.34572 0.38354 0.06126  -0.00151 0.05322  345 TYR A CB  
273  C CG  . TYR A 35  ? 0.24463 0.23640 0.28400 0.05988  0.00249  0.05590  345 TYR A CG  
274  C CD1 . TYR A 35  ? 0.30833 0.29268 0.36410 0.06153  0.00707  0.05715  345 TYR A CD1 
275  C CD2 . TYR A 35  ? 0.20988 0.20190 0.23770 0.05691  0.00202  0.05701  345 TYR A CD2 
276  C CE1 . TYR A 35  ? 0.28599 0.26303 0.34801 0.06019  0.01115  0.05962  345 TYR A CE1 
277  C CE2 . TYR A 35  ? 0.29479 0.27967 0.32623 0.05559  0.00594  0.05994  345 TYR A CE2 
278  C CZ  . TYR A 35  ? 0.28920 0.26659 0.33822 0.05722  0.01043  0.06139  345 TYR A CZ  
279  O OH  . TYR A 35  ? 0.37748 0.34779 0.43426 0.05584  0.01467  0.06413  345 TYR A OH  
280  N N   . HIS A 36  ? 0.19898 0.20269 0.22112 0.05215  0.00131  0.03867  346 HIS A N   
281  C CA  . HIS A 36  ? 0.27337 0.27753 0.28867 0.04769  0.00340  0.03525  346 HIS A CA  
282  C C   . HIS A 36  ? 0.23542 0.23304 0.24569 0.04653  0.00440  0.03767  346 HIS A C   
283  O O   . HIS A 36  ? 0.27756 0.27665 0.28147 0.04644  0.00140  0.04112  346 HIS A O   
284  C CB  . HIS A 36  ? 0.20447 0.21564 0.21695 0.04605  0.00035  0.03523  346 HIS A CB  
285  C CG  . HIS A 36  ? 0.26963 0.28808 0.28975 0.04693  -0.00028 0.03462  346 HIS A CG  
286  N ND1 . HIS A 36  ? 0.25718 0.28075 0.28072 0.04586  0.00333  0.03248  346 HIS A ND1 
287  C CD2 . HIS A 36  ? 0.25195 0.27536 0.27841 0.04856  -0.00382 0.03562  346 HIS A CD2 
288  C CE1 . HIS A 36  ? 0.32141 0.35211 0.35263 0.04711  0.00212  0.03408  346 HIS A CE1 
289  N NE2 . HIS A 36  ? 0.23511 0.26465 0.26936 0.04879  -0.00219 0.03579  346 HIS A NE2 
290  N N   . ALA A 37  ? 0.31514 0.30714 0.32957 0.04518  0.00906  0.03480  347 ALA A N   
291  C CA  . ALA A 37  ? 0.28445 0.27005 0.29701 0.04386  0.01072  0.03761  347 ALA A CA  
292  C C   . ALA A 37  ? 0.29468 0.28166 0.29884 0.03918  0.01191  0.03350  347 ALA A C   
293  O O   . ALA A 37  ? 0.39173 0.37594 0.39048 0.03805  0.01148  0.03713  347 ALA A O   
294  C CB  . ALA A 37  ? 0.23225 0.21057 0.25905 0.04470  0.01564  0.03612  347 ALA A CB  
295  N N   . ASN A 38  ? 0.31683 0.31011 0.32027 0.03639  0.01352  0.02682  348 ASN A N   
296  C CA  . ASN A 38  ? 0.25949 0.25670 0.25647 0.03197  0.01446  0.02395  348 ASN A CA  
297  C C   . ASN A 38  ? 0.25749 0.24941 0.25759 0.02943  0.01876  0.01940  348 ASN A C   
298  O O   . ASN A 38  ? 0.28329 0.26685 0.29234 0.03134  0.02104  0.02007  348 ASN A O   
299  C CB  . ASN A 38  ? 0.29072 0.28811 0.28025 0.03147  0.01084  0.02899  348 ASN A CB  
300  C CG  . ASN A 38  ? 0.41079 0.41379 0.40166 0.03363  0.00688  0.03161  348 ASN A CG  
301  O OD1 . ASN A 38  ? 0.45842 0.46872 0.45331 0.03337  0.00687  0.03065  348 ASN A OD1 
302  N ND2 . ASN A 38  ? 0.28634 0.28842 0.27495 0.03532  0.00372  0.03457  348 ASN A ND2 
303  N N   . TYR A 39  ? 0.33224 0.32968 0.32786 0.02513  0.02005  0.01524  349 TYR A N   
304  C CA  . TYR A 39  ? 0.31049 0.30326 0.31000 0.02228  0.02391  0.01024  349 TYR A CA  
305  C C   . TYR A 39  ? 0.25948 0.25857 0.25077 0.01810  0.02325  0.00945  349 TYR A C   
306  O O   . TYR A 39  ? 0.27869 0.28574 0.26367 0.01760  0.02018  0.01330  349 TYR A O   
307  C CB  . TYR A 39  ? 0.28918 0.28550 0.30085 0.02109  0.02874  -0.00103 349 TYR A CB  
308  C CG  . TYR A 39  ? 0.37472 0.38965 0.38370 0.01756  0.02986  -0.01012 349 TYR A CG  
309  C CD1 . TYR A 39  ? 0.53306 0.55957 0.53862 0.01892  0.02793  -0.00825 349 TYR A CD1 
310  C CD2 . TYR A 39  ? 0.40053 0.42420 0.41180 0.01279  0.03310  -0.02050 349 TYR A CD2 
311  C CE1 . TYR A 39  ? 0.42102 0.46897 0.42443 0.01572  0.02919  -0.01450 349 TYR A CE1 
312  C CE2 . TYR A 39  ? 0.34680 0.39309 0.35504 0.00940  0.03398  -0.02832 349 TYR A CE2 
313  C CZ  . TYR A 39  ? 0.56629 0.62547 0.57028 0.01096  0.03209  -0.02446 349 TYR A CZ  
314  O OH  . TYR A 39  ? 0.56110 0.64704 0.56219 0.00764  0.03314  -0.03019 349 TYR A OH  
315  N N   . CYS A 40  ? 0.32570 0.32108 0.31994 0.01518  0.02631  0.00512  350 CYS A N   
316  C CA  . CYS A 40  ? 0.31723 0.31809 0.30513 0.01113  0.02592  0.00434  350 CYS A CA  
317  C C   . CYS A 40  ? 0.37566 0.38834 0.36808 0.00678  0.02925  -0.00732 350 CYS A C   
318  O O   . CYS A 40  ? 0.33356 0.34298 0.33737 0.00615  0.03338  -0.01624 350 CYS A O   
319  C CB  . CYS A 40  ? 0.34715 0.33582 0.33425 0.01100  0.02650  0.00920  350 CYS A CB  
320  S SG  . CYS A 40  ? 0.31904 0.30029 0.30042 0.01559  0.02276  0.02084  350 CYS A SG  
321  N N   . GLU A 41  ? 0.37752 0.40594 0.36348 0.00365  0.02762  -0.00755 351 GLU A N   
322  C CA  . GLU A 41  ? 0.37503 0.42008 0.36395 -0.00099 0.03030  -0.01906 351 GLU A CA  
323  C C   . GLU A 41  ? 0.31261 0.37095 0.29456 -0.00445 0.02801  -0.01499 351 GLU A C   
324  O O   . GLU A 41  ? 0.37427 0.43616 0.35121 -0.00312 0.02443  -0.00379 351 GLU A O   
325  C CB  . GLU A 41  ? 0.41674 0.47941 0.40810 -0.00099 0.03140  -0.02589 351 GLU A CB  
326  C CG  . GLU A 41  ? 0.53438 0.62200 0.52702 -0.00625 0.03363  -0.03834 351 GLU A CG  
327  C CD  . GLU A 41  ? 0.75227 0.85562 0.75133 -0.00672 0.03680  -0.05080 351 GLU A CD  
328  O OE1 . GLU A 41  ? 0.64159 0.75237 0.63704 -0.00410 0.03518  -0.04438 351 GLU A OE1 
329  O OE2 . GLU A 41  ? 1.05437 1.16318 1.06414 -0.00983 0.04128  -0.06794 351 GLU A OE2 
330  N N   . GLY A 42  ? 0.32907 0.39548 0.31363 -0.00894 0.03023  -0.02428 352 GLY A N   
331  C CA  . GLY A 42  ? 0.30633 0.38822 0.28579 -0.01242 0.02808  -0.02055 352 GLY A CA  
332  C C   . GLY A 42  ? 0.30290 0.37783 0.28478 -0.01568 0.02963  -0.02500 352 GLY A C   
333  O O   . GLY A 42  ? 0.37269 0.42698 0.36011 -0.01474 0.03225  -0.02778 352 GLY A O   
334  N N   . GLU A 43  ? 0.36329 0.45667 0.34241 -0.01946 0.02805  -0.02422 353 GLU A N   
335  C CA  . GLU A 43  ? 0.37087 0.46183 0.35315 -0.02323 0.02958  -0.03005 353 GLU A CA  
336  C C   . GLU A 43  ? 0.37657 0.44438 0.35726 -0.02131 0.02883  -0.01991 353 GLU A C   
337  O O   . GLU A 43  ? 0.42565 0.48743 0.40193 -0.01822 0.02599  -0.00777 353 GLU A O   
338  C CB  . GLU A 43  ? 0.51709 0.63747 0.49679 -0.02761 0.02743  -0.03034 353 GLU A CB  
339  C CG  . GLU A 43  ? 0.62664 0.77822 0.60483 -0.02926 0.02708  -0.03600 353 GLU A CG  
340  C CD  . GLU A 43  ? 1.09646 1.26155 1.08160 -0.03374 0.03105  -0.05789 353 GLU A CD  
341  O OE1 . GLU A 43  ? 1.06455 1.21782 1.05697 -0.03244 0.03476  -0.06891 353 GLU A OE1 
342  O OE2 . GLU A 43  ? 1.11790 1.30669 1.10350 -0.03867 0.03058  -0.06470 353 GLU A OE2 
343  N N   . CYS A 44  ? 0.34689 0.40408 0.33294 -0.02354 0.03171  -0.02589 354 CYS A N   
344  C CA  . CYS A 44  ? 0.35346 0.39172 0.33834 -0.02241 0.03186  -0.01766 354 CYS A CA  
345  C C   . CYS A 44  ? 0.36843 0.41330 0.35571 -0.02698 0.03238  -0.02086 354 CYS A C   
346  O O   . CYS A 44  ? 0.30675 0.34032 0.30093 -0.02863 0.03584  -0.02565 354 CYS A O   
347  C CB  . CYS A 44  ? 0.41934 0.43607 0.41046 -0.01988 0.03549  -0.01852 354 CYS A CB  
348  S SG  . CYS A 44  ? 0.37998 0.38626 0.36600 -0.01367 0.03356  -0.00916 354 CYS A SG  
349  N N   . PRO A 45  ? 0.38051 0.44475 0.36422 -0.02908 0.02907  -0.01717 355 PRO A N   
350  C CA  . PRO A 45  ? 0.26891 0.34109 0.25560 -0.03342 0.02921  -0.01982 355 PRO A CA  
351  C C   . PRO A 45  ? 0.25250 0.30386 0.23976 -0.03250 0.03046  -0.01342 355 PRO A C   
352  O O   . PRO A 45  ? 0.29027 0.32514 0.27434 -0.02859 0.03056  -0.00607 355 PRO A O   
353  C CB  . PRO A 45  ? 0.26845 0.36612 0.25235 -0.03457 0.02485  -0.01217 355 PRO A CB  
354  C CG  . PRO A 45  ? 0.34845 0.44367 0.32900 -0.03003 0.02259  -0.00165 355 PRO A CG  
355  C CD  . PRO A 45  ? 0.32117 0.40260 0.30056 -0.02758 0.02523  -0.00913 355 PRO A CD  
356  N N   . SER A 46  ? 0.36452 0.41912 0.35607 -0.03637 0.03153  -0.01700 356 SER A N   
357  C CA  . SER A 46  ? 0.20612 0.24191 0.19982 -0.03620 0.03412  -0.01361 356 SER A CA  
358  C C   . SER A 46  ? 0.27961 0.30944 0.26845 -0.03338 0.03193  -0.00159 356 SER A C   
359  O O   . SER A 46  ? 0.37722 0.39138 0.36522 -0.03183 0.03416  0.00207  356 SER A O   
360  C CB  . SER A 46  ? 0.37114 0.41359 0.37184 -0.04122 0.03570  -0.02053 356 SER A CB  
361  O OG  . SER A 46  ? 0.36581 0.42849 0.36495 -0.04332 0.03175  -0.01698 356 SER A OG  
362  N N   . HIS A 47  ? 0.26170 0.30576 0.24973 -0.03286 0.02797  0.00461  357 HIS A N   
363  C CA  . HIS A 47  ? 0.31170 0.35081 0.30099 -0.03058 0.02652  0.01383  357 HIS A CA  
364  C C   . HIS A 47  ? 0.24706 0.27531 0.23239 -0.02601 0.02619  0.01708  357 HIS A C   
365  O O   . HIS A 47  ? 0.29224 0.31641 0.28025 -0.02412 0.02551  0.02190  357 HIS A O   
366  C CB  . HIS A 47  ? 0.34329 0.40164 0.33947 -0.03162 0.02292  0.02106  357 HIS A CB  
367  C CG  . HIS A 47  ? 0.27424 0.34918 0.26982 -0.03061 0.02013  0.02408  357 HIS A CG  
368  N ND1 . HIS A 47  ? 0.29999 0.39267 0.29267 -0.03333 0.01967  0.01809  357 HIS A ND1 
369  C CD2 . HIS A 47  ? 0.23623 0.31469 0.23498 -0.02739 0.01801  0.03198  357 HIS A CD2 
370  C CE1 . HIS A 47  ? 0.21826 0.32538 0.21052 -0.03172 0.01745  0.02293  357 HIS A CE1 
371  N NE2 . HIS A 47  ? 0.26800 0.36551 0.26431 -0.02797 0.01644  0.03207  357 HIS A NE2 
372  N N   . ILE A 48  ? 0.28230 0.30670 0.26315 -0.02431 0.02686  0.01345  358 ILE A N   
373  C CA  . ILE A 48  ? 0.23841 0.25192 0.21540 -0.02008 0.02678  0.01615  358 ILE A CA  
374  C C   . ILE A 48  ? 0.32740 0.32784 0.30205 -0.01905 0.03011  0.01289  358 ILE A C   
375  O O   . ILE A 48  ? 0.27199 0.26574 0.24363 -0.01549 0.02991  0.01533  358 ILE A O   
376  C CB  . ILE A 48  ? 0.24387 0.26617 0.22085 -0.01776 0.02384  0.01862  358 ILE A CB  
377  C CG1 . ILE A 48  ? 0.28247 0.31314 0.25838 -0.01893 0.02438  0.01248  358 ILE A CG1 
378  C CG2 . ILE A 48  ? 0.24560 0.28034 0.22986 -0.01804 0.02090  0.02560  358 ILE A CG2 
379  C CD1 . ILE A 48  ? 0.21730 0.25553 0.19248 -0.01615 0.02212  0.01534  358 ILE A CD1 
380  N N   . ALA A 49  ? 0.28946 0.28675 0.26800 -0.02204 0.03331  0.00823  359 ALA A N   
381  C CA  . ALA A 49  ? 0.28186 0.26689 0.26389 -0.02094 0.03711  0.00716  359 ALA A CA  
382  C C   . ALA A 49  ? 0.35188 0.32791 0.32921 -0.01779 0.03776  0.01562  359 ALA A C   
383  O O   . ALA A 49  ? 0.27030 0.24736 0.24467 -0.01859 0.03762  0.01863  359 ALA A O   
384  C CB  . ALA A 49  ? 0.31610 0.29915 0.30729 -0.02498 0.04095  0.00130  359 ALA A CB  
385  N N   . GLY A 50  ? 0.28376 0.25339 0.26133 -0.01430 0.03858  0.01916  360 GLY A N   
386  C CA  . GLY A 50  ? 0.29493 0.26070 0.26802 -0.01140 0.03924  0.02772  360 GLY A CA  
387  C C   . GLY A 50  ? 0.31766 0.28946 0.28181 -0.00888 0.03537  0.02996  360 GLY A C   
388  O O   . GLY A 50  ? 0.34900 0.32218 0.30857 -0.00676 0.03567  0.03550  360 GLY A O   
389  N N   . THR A 51  ? 0.33712 0.31484 0.30048 -0.00914 0.03197  0.02598  361 THR A N   
390  C CA  . THR A 51  ? 0.34517 0.32864 0.30549 -0.00717 0.02878  0.02678  361 THR A CA  
391  C C   . THR A 51  ? 0.35706 0.34050 0.31559 -0.00340 0.02655  0.02814  361 THR A C   
392  O O   . THR A 51  ? 0.35058 0.33029 0.31076 -0.00248 0.02719  0.02795  361 THR A O   
393  C CB  . THR A 51  ? 0.30945 0.30011 0.27495 -0.00921 0.02659  0.02425  361 THR A CB  
394  O OG1 . THR A 51  ? 0.36663 0.36066 0.33415 -0.00958 0.02541  0.02294  361 THR A OG1 
395  C CG2 . THR A 51  ? 0.30051 0.29243 0.26924 -0.01289 0.02843  0.02314  361 THR A CG2 
396  N N   . SER A 52  ? 0.42356 0.41209 0.38076 -0.00135 0.02409  0.02823  362 SER A N   
397  C CA  . SER A 52  ? 0.43730 0.42740 0.39456 0.00195  0.02135  0.02868  362 SER A CA  
398  C C   . SER A 52  ? 0.44332 0.44045 0.40716 0.00184  0.01871  0.02585  362 SER A C   
399  O O   . SER A 52  ? 0.40418 0.40630 0.36967 0.00264  0.01779  0.02340  362 SER A O   
400  C CB  . SER A 52  ? 0.56622 0.55678 0.51825 0.00510  0.02116  0.03231  362 SER A CB  
401  O OG  . SER A 52  ? 0.69705 0.68046 0.64923 0.00603  0.02348  0.03676  362 SER A OG  
402  N N   . GLY A 53  ? 0.36532 0.36505 0.33523 0.00065  0.01780  0.02612  363 GLY A N   
403  C CA  . GLY A 53  ? 0.36870 0.37546 0.35020 0.00019  0.01605  0.02610  363 GLY A CA  
404  C C   . GLY A 53  ? 0.40610 0.41478 0.39386 -0.00215 0.01728  0.02394  363 GLY A C   
405  O O   . GLY A 53  ? 0.40978 0.41744 0.39613 -0.00489 0.01900  0.02462  363 GLY A O   
406  N N   . SER A 54  ? 0.33572 0.34827 0.33240 -0.00124 0.01661  0.01999  364 SER A N   
407  C CA  . SER A 54  ? 0.33796 0.35397 0.34527 -0.00343 0.01815  0.01596  364 SER A CA  
408  C C   . SER A 54  ? 0.40315 0.41870 0.39926 -0.00424 0.02045  0.01150  364 SER A C   
409  O O   . SER A 54  ? 0.38308 0.40329 0.38736 -0.00600 0.02217  0.00591  364 SER A O   
410  C CB  . SER A 54  ? 0.30928 0.33162 0.33664 -0.00248 0.01707  0.01153  364 SER A CB  
411  O OG  . SER A 54  ? 0.43445 0.45933 0.45692 -0.00015 0.01589  0.00588  364 SER A OG  
412  N N   . SER A 55  ? 0.37578 0.38734 0.35563 -0.00301 0.02090  0.01443  365 SER A N   
413  C CA  . SER A 55  ? 0.45037 0.46512 0.42057 -0.00335 0.02312  0.01296  365 SER A CA  
414  C C   . SER A 55  ? 0.33158 0.33854 0.29214 -0.00432 0.02557  0.01942  365 SER A C   
415  O O   . SER A 55  ? 0.28429 0.28391 0.24288 -0.00366 0.02513  0.02354  365 SER A O   
416  C CB  . SER A 55  ? 0.47469 0.49684 0.43872 -0.00040 0.02144  0.01156  365 SER A CB  
417  O OG  . SER A 55  ? 0.61968 0.63544 0.57902 0.00224  0.01957  0.01745  365 SER A OG  
418  N N   . LEU A 56  ? 0.40211 0.41204 0.35893 -0.00609 0.02861  0.01932  366 LEU A N   
419  C CA  . LEU A 56  ? 0.37901 0.38258 0.33045 -0.00731 0.03180  0.02547  366 LEU A CA  
420  C C   . LEU A 56  ? 0.41160 0.42360 0.35483 -0.00614 0.03381  0.02976  366 LEU A C   
421  O O   . LEU A 56  ? 0.42263 0.44583 0.36486 -0.00745 0.03518  0.02543  366 LEU A O   
422  C CB  . LEU A 56  ? 0.36154 0.36266 0.31874 -0.01112 0.03402  0.02306  366 LEU A CB  
423  C CG  . LEU A 56  ? 0.35478 0.34919 0.31048 -0.01319 0.03767  0.02768  366 LEU A CG  
424  C CD1 . LEU A 56  ? 0.33083 0.31615 0.28814 -0.01277 0.03735  0.03024  366 LEU A CD1 
425  C CD2 . LEU A 56  ? 0.39931 0.39420 0.36130 -0.01691 0.03931  0.02407  366 LEU A CD2 
426  N N   . SER A 57  ? 0.31855 0.32748 0.25764 -0.00376 0.03431  0.03865  367 SER A N   
427  C CA  . SER A 57  ? 0.33596 0.35640 0.26849 -0.00248 0.03628  0.04646  367 SER A CA  
428  C C   . SER A 57  ? 0.36526 0.38691 0.29824 -0.00541 0.04099  0.04989  367 SER A C   
429  O O   . SER A 57  ? 0.36800 0.37852 0.30694 -0.00816 0.04279  0.04737  367 SER A O   
430  C CB  . SER A 57  ? 0.37658 0.39283 0.30962 0.00084  0.03627  0.05791  367 SER A CB  
431  O OG  . SER A 57  ? 0.32554 0.32590 0.26721 -0.00037 0.03909  0.06138  367 SER A OG  
432  N N   . PHE A 58  ? 0.35163 0.38944 0.27834 -0.00482 0.04303  0.05642  368 PHE A N   
433  C CA  . PHE A 58  ? 0.36422 0.40455 0.29189 -0.00723 0.04808  0.06260  368 PHE A CA  
434  C C   . PHE A 58  ? 0.38738 0.41139 0.32443 -0.00710 0.05109  0.07355  368 PHE A C   
435  O O   . PHE A 58  ? 0.38033 0.39560 0.32390 -0.01017 0.05448  0.07272  368 PHE A O   
436  C CB  . PHE A 58  ? 0.43157 0.49713 0.35051 -0.00639 0.04980  0.06957  368 PHE A CB  
437  C CG  . PHE A 58  ? 0.45904 0.53178 0.37825 -0.00937 0.05520  0.07363  368 PHE A CG  
438  C CD1 . PHE A 58  ? 0.42325 0.49059 0.34880 -0.00923 0.05957  0.08988  368 PHE A CD1 
439  C CD2 . PHE A 58  ? 0.38671 0.47206 0.30280 -0.01234 0.05642  0.06104  368 PHE A CD2 
440  C CE1 . PHE A 58  ? 0.45407 0.52834 0.38104 -0.01202 0.06485  0.09431  368 PHE A CE1 
441  C CE2 . PHE A 58  ? 0.39732 0.48988 0.31390 -0.01513 0.06165  0.06447  368 PHE A CE2 
442  C CZ  . PHE A 58  ? 0.37832 0.46547 0.29938 -0.01496 0.06578  0.08160  368 PHE A CZ  
443  N N   . HIS A 59  ? 0.32798 0.34825 0.26860 -0.00369 0.05020  0.08314  369 HIS A N   
444  C CA  . HIS A 59  ? 0.37721 0.38217 0.33239 -0.00369 0.05377  0.09169  369 HIS A CA  
445  C C   . HIS A 59  ? 0.39875 0.38651 0.36134 -0.00678 0.05374  0.07935  369 HIS A C   
446  O O   . HIS A 59  ? 0.37429 0.35362 0.34767 -0.00946 0.05782  0.08036  369 HIS A O   
447  C CB  . HIS A 59  ? 0.32247 0.32489 0.28421 0.00052  0.05267  0.10154  369 HIS A CB  
448  C CG  . HIS A 59  ? 0.32918 0.31822 0.31154 0.00060  0.05753  0.11099  369 HIS A CG  
449  N ND1 . HIS A 59  ? 0.34806 0.31963 0.34365 -0.00015 0.05788  0.10247  369 HIS A ND1 
450  C CD2 . HIS A 59  ? 0.33406 0.32592 0.32903 0.00093  0.06280  0.12721  369 HIS A CD2 
451  C CE1 . HIS A 59  ? 0.36864 0.33188 0.38586 -0.00031 0.06323  0.11128  369 HIS A CE1 
452  N NE2 . HIS A 59  ? 0.35539 0.32964 0.37370 0.00050  0.06634  0.12764  369 HIS A NE2 
453  N N   . SER A 60  ? 0.30881 0.29354 0.26682 -0.00653 0.04917  0.06807  370 SER A N   
454  C CA  . SER A 60  ? 0.32725 0.30131 0.29112 -0.00937 0.04852  0.05739  370 SER A CA  
455  C C   . SER A 60  ? 0.36510 0.34042 0.32888 -0.01348 0.05014  0.05192  370 SER A C   
456  O O   . SER A 60  ? 0.33242 0.30052 0.30412 -0.01646 0.05130  0.04652  370 SER A O   
457  C CB  . SER A 60  ? 0.32561 0.30073 0.28454 -0.00802 0.04341  0.04940  370 SER A CB  
458  O OG  . SER A 60  ? 0.37155 0.34345 0.33295 -0.00460 0.04221  0.05311  370 SER A OG  
459  N N   . THR A 61  ? 0.32258 0.30895 0.27848 -0.01387 0.05020  0.05185  371 THR A N   
460  C CA  . THR A 61  ? 0.38368 0.37211 0.34101 -0.01758 0.05212  0.04691  371 THR A CA  
461  C C   . THR A 61  ? 0.28517 0.26926 0.24967 -0.01962 0.05752  0.05386  371 THR A C   
462  O O   . THR A 61  ? 0.32873 0.30803 0.29964 -0.02315 0.05921  0.04927  371 THR A O   
463  C CB  . THR A 61  ? 0.34508 0.34832 0.29495 -0.01745 0.05167  0.04356  371 THR A CB  
464  O OG1 . THR A 61  ? 0.37190 0.37913 0.31926 -0.01551 0.04704  0.03683  371 THR A OG1 
465  C CG2 . THR A 61  ? 0.36449 0.36964 0.31861 -0.02125 0.05367  0.03703  371 THR A CG2 
466  N N   . VAL A 62  ? 0.37427 0.36138 0.33968 -0.01741 0.06036  0.06607  372 VAL A N   
467  C CA  . VAL A 62  ? 0.29659 0.27908 0.27365 -0.01896 0.06606  0.07510  372 VAL A CA  
468  C C   . VAL A 62  ? 0.33924 0.30592 0.33161 -0.02065 0.06697  0.07005  372 VAL A C   
469  O O   . VAL A 62  ? 0.35195 0.31314 0.35454 -0.02422 0.07019  0.06700  372 VAL A O   
470  C CB  . VAL A 62  ? 0.36210 0.35296 0.34050 -0.01561 0.06868  0.09223  372 VAL A CB  
471  C CG1 . VAL A 62  ? 0.38325 0.36697 0.38024 -0.01693 0.07496  0.10304  372 VAL A CG1 
472  C CG2 . VAL A 62  ? 0.35659 0.36894 0.32008 -0.01496 0.06866  0.09603  372 VAL A CG2 
473  N N   . ILE A 63  ? 0.32347 0.28446 0.31851 -0.01833 0.06428  0.06772  373 ILE A N   
474  C CA  . ILE A 63  ? 0.41297 0.36272 0.42328 -0.02017 0.06530  0.05996  373 ILE A CA  
475  C C   . ILE A 63  ? 0.36096 0.31110 0.36892 -0.02431 0.06321  0.04614  373 ILE A C   
476  O O   . ILE A 63  ? 0.41678 0.36252 0.43775 -0.02790 0.06605  0.04053  373 ILE A O   
477  C CB  . ILE A 63  ? 0.42582 0.37222 0.43804 -0.01693 0.06264  0.05841  373 ILE A CB  
478  C CG1 . ILE A 63  ? 0.35572 0.30338 0.37239 -0.01256 0.06451  0.07416  373 ILE A CG1 
479  C CG2 . ILE A 63  ? 0.35110 0.28947 0.38026 -0.01939 0.06422  0.04722  373 ILE A CG2 
480  C CD1 . ILE A 63  ? 0.35499 0.29603 0.39521 -0.01310 0.07116  0.08398  373 ILE A CD1 
481  N N   . ASN A 64  ? 0.31243 0.26938 0.30622 -0.02391 0.05831  0.04094  374 ASN A N   
482  C CA  . ASN A 64  ? 0.35237 0.31242 0.34579 -0.02743 0.05595  0.03072  374 ASN A CA  
483  C C   . ASN A 64  ? 0.30608 0.26733 0.30310 -0.03099 0.05897  0.03064  374 ASN A C   
484  O O   . ASN A 64  ? 0.34457 0.30750 0.34699 -0.03456 0.05832  0.02313  374 ASN A O   
485  C CB  . ASN A 64  ? 0.36707 0.33443 0.34966 -0.02587 0.05063  0.02780  374 ASN A CB  
486  C CG  . ASN A 64  ? 0.31244 0.28533 0.29771 -0.02882 0.04762  0.01997  374 ASN A CG  
487  O OD1 . ASN A 64  ? 0.35794 0.33178 0.34807 -0.03010 0.04685  0.01453  374 ASN A OD1 
488  N ND2 . ASN A 64  ? 0.35350 0.33244 0.33740 -0.03000 0.04615  0.01942  374 ASN A ND2 
489  N N   . HIS A 65  ? 0.29141 0.25417 0.28599 -0.03027 0.06235  0.03896  375 HIS A N   
490  C CA  . HIS A 65  ? 0.31684 0.28002 0.31732 -0.03379 0.06625  0.03937  375 HIS A CA  
491  C C   . HIS A 65  ? 0.42064 0.37601 0.43784 -0.03684 0.06945  0.03606  375 HIS A C   
492  O O   . HIS A 65  ? 0.33398 0.29041 0.35692 -0.04073 0.06970  0.02902  375 HIS A O   
493  C CB  . HIS A 65  ? 0.35944 0.32796 0.35606 -0.03246 0.07038  0.05040  375 HIS A CB  
494  C CG  . HIS A 65  ? 0.37679 0.34556 0.38138 -0.03593 0.07544  0.05258  375 HIS A CG  
495  N ND1 . HIS A 65  ? 0.36147 0.33743 0.36134 -0.03811 0.07562  0.04817  375 HIS A ND1 
496  C CD2 . HIS A 65  ? 0.34189 0.30473 0.36140 -0.03760 0.08088  0.05870  375 HIS A CD2 
497  C CE1 . HIS A 65  ? 0.38943 0.36403 0.39869 -0.04101 0.08067  0.05135  375 HIS A CE1 
498  N NE2 . HIS A 65  ? 0.38739 0.35406 0.40891 -0.04078 0.08397  0.05807  375 HIS A NE2 
499  N N   . TYR A 66  ? 0.38955 0.33802 0.41739 -0.03521 0.07198  0.04019  376 TYR A N   
500  C CA  . TYR A 66  ? 0.37248 0.31391 0.42160 -0.03826 0.07586  0.03499  376 TYR A CA  
501  C C   . TYR A 66  ? 0.40347 0.34705 0.45565 -0.04052 0.07226  0.01939  376 TYR A C   
502  O O   . TYR A 66  ? 0.44087 0.38539 0.50590 -0.04487 0.07385  0.00956  376 TYR A O   
503  C CB  . TYR A 66  ? 0.32552 0.25944 0.39076 -0.03562 0.08062  0.04547  376 TYR A CB  
504  C CG  . TYR A 66  ? 0.38929 0.32546 0.45477 -0.03397 0.08501  0.06297  376 TYR A CG  
505  C CD1 . TYR A 66  ? 0.52032 0.45387 0.60256 -0.03685 0.09106  0.06780  376 TYR A CD1 
506  C CD2 . TYR A 66  ? 0.38244 0.32640 0.43154 -0.02974 0.08316  0.07457  376 TYR A CD2 
507  C CE1 . TYR A 66  ? 0.45671 0.39607 0.53878 -0.03541 0.09539  0.08542  376 TYR A CE1 
508  C CE2 . TYR A 66  ? 0.40451 0.35643 0.45241 -0.02847 0.08714  0.09082  376 TYR A CE2 
509  C CZ  . TYR A 66  ? 0.49606 0.44600 0.56005 -0.03123 0.09332  0.09695  376 TYR A CZ  
510  O OH  . TYR A 66  ? 0.70030 0.66152 0.76297 -0.02998 0.09756  0.11459  376 TYR A OH  
511  N N   . ARG A 67  ? 0.38222 0.32891 0.42377 -0.03784 0.06764  0.01669  377 ARG A N   
512  C CA  . ARG A 67  ? 0.34384 0.29745 0.38656 -0.04002 0.06419  0.00292  377 ARG A CA  
513  C C   . ARG A 67  ? 0.38078 0.34492 0.41760 -0.04370 0.06117  -0.00294 377 ARG A C   
514  O O   . ARG A 67  ? 0.54070 0.51177 0.58692 -0.04788 0.06126  -0.01399 377 ARG A O   
515  C CB  . ARG A 67  ? 0.34096 0.29790 0.37152 -0.03627 0.05964  0.00340  377 ARG A CB  
516  C CG  . ARG A 67  ? 0.52405 0.47412 0.56612 -0.03396 0.06204  0.00257  377 ARG A CG  
517  C CD  . ARG A 67  ? 0.65163 0.60672 0.68491 -0.03127 0.05782  -0.00078 377 ARG A CD  
518  N NE  . ARG A 67  ? 0.71024 0.66107 0.73297 -0.02618 0.05623  0.01115  377 ARG A NE  
519  C CZ  . ARG A 67  ? 0.54672 0.49615 0.56892 -0.02274 0.05492  0.01199  377 ARG A CZ  
520  N NH1 . ARG A 67  ? 0.63437 0.58325 0.67001 -0.02346 0.05664  0.00268  377 ARG A NH1 
521  N NH2 . ARG A 67  ? 0.57865 0.52832 0.58816 -0.01861 0.05212  0.02137  377 ARG A NH2 
522  N N   . MET A 68  ? 0.45216 0.41952 0.47537 -0.04226 0.05849  0.00387  378 MET A N   
523  C CA  . MET A 68  ? 0.57883 0.55607 0.59961 -0.04524 0.05580  0.00071  378 MET A CA  
524  C C   . MET A 68  ? 0.42336 0.40063 0.45668 -0.04990 0.05927  -0.00416 378 MET A C   
525  O O   . MET A 68  ? 0.51102 0.49948 0.54668 -0.05328 0.05675  -0.01016 378 MET A O   
526  C CB  . MET A 68  ? 0.42631 0.40413 0.43723 -0.04304 0.05462  0.00854  378 MET A CB  
527  C CG  . MET A 68  ? 0.51875 0.50788 0.52749 -0.04395 0.05005  0.00725  378 MET A CG  
528  S SD  . MET A 68  ? 0.66018 0.64994 0.66916 -0.04428 0.05169  0.01152  378 MET A SD  
529  C CE  . MET A 68  ? 0.38486 0.36976 0.40243 -0.04830 0.05714  0.00998  378 MET A CE  
530  N N   . ARG A 69  ? 0.42650 0.39300 0.46952 -0.05013 0.06504  -0.00051 379 ARG A N   
531  C CA  . ARG A 69  ? 0.43668 0.40214 0.49388 -0.05448 0.06900  -0.00428 379 ARG A CA  
532  C C   . ARG A 69  ? 0.47090 0.43431 0.54773 -0.05728 0.07208  -0.01467 379 ARG A C   
533  O O   . ARG A 69  ? 0.46167 0.42398 0.55425 -0.06117 0.07583  -0.01928 379 ARG A O   
534  C CB  . ARG A 69  ? 0.35930 0.31655 0.41827 -0.05346 0.07426  0.00740  379 ARG A CB  
535  C CG  . ARG A 69  ? 0.39815 0.36026 0.44098 -0.05165 0.07213  0.01398  379 ARG A CG  
536  C CD  . ARG A 69  ? 0.43494 0.39343 0.47637 -0.04990 0.07724  0.02569  379 ARG A CD  
537  N NE  . ARG A 69  ? 0.36837 0.33426 0.39846 -0.04952 0.07603  0.02742  379 ARG A NE  
538  C CZ  . ARG A 69  ? 0.39505 0.36633 0.41287 -0.04689 0.07168  0.02647  379 ARG A CZ  
539  N NH1 . ARG A 69  ? 0.38280 0.35288 0.39524 -0.04410 0.06791  0.02554  379 ARG A NH1 
540  N NH2 . ARG A 69  ? 0.37042 0.34879 0.38369 -0.04714 0.07152  0.02577  379 ARG A NH2 
541  N N   . GLY A 70  ? 0.43041 0.39372 0.50898 -0.05556 0.07099  -0.01951 380 GLY A N   
542  C CA  . GLY A 70  ? 0.39162 0.35395 0.49251 -0.05824 0.07454  -0.03194 380 GLY A CA  
543  C C   . GLY A 70  ? 0.61399 0.56110 0.73732 -0.05765 0.08206  -0.02553 380 GLY A C   
544  O O   . GLY A 70  ? 0.51561 0.46117 0.66483 -0.06084 0.08633  -0.03699 380 GLY A O   
545  N N   . HIS A 71  ? 0.45006 0.38815 0.56656 -0.05378 0.08408  -0.00744 381 HIS A N   
546  C CA  . HIS A 71  ? 0.68663 0.61303 0.82554 -0.05277 0.09140  0.00326  381 HIS A CA  
547  C C   . HIS A 71  ? 0.93429 0.85412 1.09201 -0.05054 0.09384  0.00121  381 HIS A C   
548  O O   . HIS A 71  ? 0.83205 0.75217 0.97594 -0.04635 0.09046  0.00567  381 HIS A O   
549  C CB  . HIS A 71  ? 0.45319 0.37801 0.57691 -0.04916 0.09228  0.02355  381 HIS A CB  
550  C CG  . HIS A 71  ? 0.69110 0.62127 0.80469 -0.05187 0.09205  0.02469  381 HIS A CG  
551  N ND1 . HIS A 71  ? 0.68084 0.61463 0.80278 -0.05707 0.09187  0.01133  381 HIS A ND1 
552  C CD2 . HIS A 71  ? 0.67098 0.60515 0.76853 -0.05027 0.09224  0.03670  381 HIS A CD2 
553  C CE1 . HIS A 71  ? 0.70565 0.64353 0.81754 -0.05829 0.09190  0.01611  381 HIS A CE1 
554  N NE2 . HIS A 71  ? 0.66728 0.60549 0.76463 -0.05432 0.09239  0.03069  381 HIS A NE2 
555  N N   . SER A 72  ? 1.20930 1.12322 1.40162 -0.05344 0.10013  -0.00594 382 SER A N   
556  C CA  . SER A 72  ? 1.38363 1.29423 1.60091 -0.05337 0.10266  -0.01740 382 SER A CA  
557  C C   . SER A 72  ? 1.36194 1.26652 1.57623 -0.04728 0.10226  -0.00435 382 SER A C   
558  O O   . SER A 72  ? 1.10206 1.01044 1.31347 -0.04650 0.09939  -0.01623 382 SER A O   
559  C CB  . SER A 72  ? 1.35602 1.25853 1.61786 -0.05665 0.11129  -0.02195 382 SER A CB  
560  O OG  . SER A 72  ? 1.45489 1.35928 1.74230 -0.05889 0.11327  -0.04321 382 SER A OG  
561  N N   . PRO A 73  ? 1.28917 1.18667 1.50585 -0.04296 0.10524  0.01973  383 PRO A N   
562  C CA  . PRO A 73  ? 0.97498 0.86899 1.19107 -0.03716 0.10464  0.03240  383 PRO A CA  
563  C C   . PRO A 73  ? 0.99544 0.89628 1.18396 -0.03562 0.09719  0.02154  383 PRO A C   
564  O O   . PRO A 73  ? 1.00100 0.90022 1.20178 -0.03456 0.09734  0.01233  383 PRO A O   
565  C CB  . PRO A 73  ? 0.86742 0.76321 1.06871 -0.03337 0.10507  0.05883  383 PRO A CB  
566  C CG  . PRO A 73  ? 0.89501 0.79545 1.08378 -0.03734 0.10509  0.05725  383 PRO A CG  
567  C CD  . PRO A 73  ? 0.91482 0.81170 1.12867 -0.04306 0.10818  0.03711  383 PRO A CD  
568  N N   . PHE A 74  ? 0.96153 0.87083 1.11590 -0.03600 0.09114  0.02115  384 PHE A N   
569  C CA  . PHE A 74  ? 0.81096 0.72766 0.93737 -0.03394 0.08394  0.01626  384 PHE A CA  
570  C C   . PHE A 74  ? 0.81092 0.73761 0.92984 -0.03826 0.08012  -0.00445 384 PHE A C   
571  O O   . PHE A 74  ? 0.85083 0.78468 0.95333 -0.03686 0.07499  -0.00991 384 PHE A O   
572  C CB  . PHE A 74  ? 0.68989 0.61103 0.78823 -0.03128 0.08030  0.03063  384 PHE A CB  
573  C CG  . PHE A 74  ? 0.78537 0.70337 0.88678 -0.02673 0.08293  0.05116  384 PHE A CG  
574  C CD1 . PHE A 74  ? 0.70008 0.61410 0.81205 -0.02273 0.08355  0.05693  384 PHE A CD1 
575  C CD2 . PHE A 74  ? 0.68471 0.60548 0.78265 -0.02672 0.08562  0.06520  384 PHE A CD2 
576  C CE1 . PHE A 74  ? 0.88901 0.80359 1.00534 -0.01842 0.08581  0.07818  384 PHE A CE1 
577  C CE2 . PHE A 74  ? 0.79694 0.71994 0.89814 -0.02270 0.08815  0.08568  384 PHE A CE2 
578  C CZ  . PHE A 74  ? 0.83712 0.75753 0.94765 -0.01846 0.08806  0.09301  384 PHE A CZ  
579  N N   . ALA A 75  ? 0.84836 0.77790 0.97980 -0.04350 0.08248  -0.01526 385 ALA A N   
580  C CA  . ALA A 75  ? 0.96138 0.90514 1.08796 -0.04787 0.07892  -0.03462 385 ALA A CA  
581  C C   . ALA A 75  ? 1.13752 1.08600 1.27695 -0.04818 0.07944  -0.04970 385 ALA A C   
582  O O   . ALA A 75  ? 0.88289 0.84703 1.00917 -0.04971 0.07478  -0.06131 385 ALA A O   
583  C CB  . ALA A 75  ? 1.00482 0.95198 1.14665 -0.05362 0.08190  -0.04414 385 ALA A CB  
584  N N   . ASN A 76  ? 1.31517 1.25187 1.48182 -0.04664 0.08532  -0.04885 386 ASN A N   
585  C CA  . ASN A 76  ? 1.23832 1.17913 1.42466 -0.04756 0.08745  -0.06603 386 ASN A CA  
586  C C   . ASN A 76  ? 1.25280 1.19142 1.42761 -0.04214 0.08474  -0.05918 386 ASN A C   
587  O O   . ASN A 76  ? 1.30437 1.25044 1.48880 -0.04292 0.08524  -0.07484 386 ASN A O   
588  C CB  . ASN A 76  ? 1.22056 1.14991 1.45082 -0.04919 0.09620  -0.07091 386 ASN A CB  
589  C CG  . ASN A 76  ? 1.37750 1.31126 1.62427 -0.05543 0.09929  -0.08304 386 ASN A CG  
590  O OD1 . ASN A 76  ? 1.31144 1.26299 1.54751 -0.06014 0.09580  -0.10056 386 ASN A OD1 
591  N ND2 . ASN A 76  ? 1.42700 1.34648 1.70125 -0.05551 0.10590  -0.07286 386 ASN A ND2 
592  N N   . LEU A 77  ? 0.93034 0.86109 1.08552 -0.03694 0.08199  -0.03769 387 LEU A N   
593  C CA  . LEU A 77  ? 0.87474 0.80396 1.01963 -0.03180 0.07921  -0.03099 387 LEU A CA  
594  C C   . LEU A 77  ? 0.65874 0.60255 0.77347 -0.03201 0.07200  -0.03694 387 LEU A C   
595  O O   . LEU A 77  ? 0.80953 0.75853 0.90192 -0.03259 0.06781  -0.03098 387 LEU A O   
596  C CB  . LEU A 77  ? 0.83869 0.75728 0.97690 -0.02639 0.07924  -0.00649 387 LEU A CB  
597  C CG  . LEU A 77  ? 1.04983 0.95633 1.21808 -0.02549 0.08638  0.00571  387 LEU A CG  
598  C CD1 . LEU A 77  ? 1.03484 0.93593 1.20266 -0.01912 0.08635  0.02737  387 LEU A CD1 
599  C CD2 . LEU A 77  ? 1.08328 0.98569 1.29121 -0.02875 0.09297  -0.01050 387 LEU A CD2 
600  N N   . LYS A 78  ? 0.65557 0.60688 0.77257 -0.03159 0.07106  -0.04843 388 LYS A N   
601  C CA  . LYS A 78  ? 0.81503 0.78305 0.90834 -0.03207 0.06503  -0.05419 388 LYS A CA  
602  C C   . LYS A 78  ? 0.66576 0.62910 0.74002 -0.02630 0.06080  -0.03906 388 LYS A C   
603  O O   . LYS A 78  ? 0.67056 0.62125 0.75291 -0.02206 0.06275  -0.02927 388 LYS A O   
604  C CB  . LYS A 78  ? 0.66370 0.64671 0.76927 -0.03508 0.06652  -0.07552 388 LYS A CB  
605  C CG  . LYS A 78  ? 1.09811 1.08088 1.23571 -0.03970 0.07319  -0.09276 388 LYS A CG  
606  C CD  . LYS A 78  ? 0.91276 0.87580 1.08015 -0.03658 0.07952  -0.08862 388 LYS A CD  
607  C CE  . LYS A 78  ? 1.01162 0.97784 1.21688 -0.04133 0.08661  -0.11107 388 LYS A CE  
608  N NZ  . LYS A 78  ? 1.11116 1.05878 1.35123 -0.03801 0.09323  -0.10618 388 LYS A NZ  
609  N N   . SER A 79  ? 0.61835 0.59341 0.66960 -0.02620 0.05505  -0.03674 389 SER A N   
610  C CA  . SER A 79  ? 0.36826 0.33992 0.40215 -0.02134 0.05083  -0.02311 389 SER A CA  
611  C C   . SER A 79  ? 0.37141 0.34955 0.40468 -0.01921 0.04944  -0.02837 389 SER A C   
612  O O   . SER A 79  ? 0.51012 0.50415 0.54415 -0.02221 0.04894  -0.04104 389 SER A O   
613  C CB  . SER A 79  ? 0.44626 0.42635 0.46158 -0.02231 0.04609  -0.01754 389 SER A CB  
614  O OG  . SER A 79  ? 0.45124 0.42566 0.45436 -0.01797 0.04315  -0.00480 389 SER A OG  
615  N N   . CYS A 80  ? 0.38936 0.35775 0.42148 -0.01416 0.04888  -0.01865 390 CYS A N   
616  C CA  . CYS A 80  ? 0.36094 0.33367 0.39392 -0.01166 0.04790  -0.02253 390 CYS A CA  
617  C C   . CYS A 80  ? 0.27129 0.24473 0.28658 -0.00758 0.04271  -0.01101 390 CYS A C   
618  O O   . CYS A 80  ? 0.38446 0.34953 0.39342 -0.00491 0.04139  0.00121  390 CYS A O   
619  C CB  . CYS A 80  ? 0.45440 0.41518 0.50878 -0.00912 0.05258  -0.02287 390 CYS A CB  
620  S SG  . CYS A 80  ? 0.97390 0.93636 1.05728 -0.01385 0.05949  -0.04195 390 CYS A SG  
621  N N   . CYS A 81  ? 0.32790 0.31345 0.33681 -0.00729 0.04008  -0.01551 391 CYS A N   
622  C CA  . CYS A 81  ? 0.35576 0.34249 0.35255 -0.00349 0.03562  -0.00625 391 CYS A CA  
623  C C   . CYS A 81  ? 0.38803 0.36431 0.39099 0.00125  0.03639  -0.00140 391 CYS A C   
624  O O   . CYS A 81  ? 0.38327 0.36107 0.39657 0.00187  0.03862  -0.00865 391 CYS A O   
625  C CB  . CYS A 81  ? 0.31251 0.31718 0.30369 -0.00485 0.03321  -0.01123 391 CYS A CB  
626  S SG  . CYS A 81  ? 0.36258 0.36957 0.34368 -0.00070 0.02816  -0.00035 391 CYS A SG  
627  N N   . VAL A 82  ? 0.27635 0.24452 0.27388 0.00456  0.03455  0.01042  392 VAL A N   
628  C CA  . VAL A 82  ? 0.34696 0.30713 0.35219 0.00901  0.03536  0.01691  392 VAL A CA  
629  C C   . VAL A 82  ? 0.35695 0.31857 0.34968 0.01252  0.03078  0.02714  392 VAL A C   
630  O O   . VAL A 82  ? 0.30809 0.27404 0.28974 0.01116  0.02827  0.02882  392 VAL A O   
631  C CB  . VAL A 82  ? 0.36103 0.31102 0.38094 0.00910  0.03997  0.02159  392 VAL A CB  
632  C CG1 . VAL A 82  ? 0.36092 0.30953 0.39914 0.00555  0.04519  0.00872  392 VAL A CG1 
633  C CG2 . VAL A 82  ? 0.32454 0.27369 0.33527 0.00785  0.03936  0.02931  392 VAL A CG2 
634  N N   . PRO A 83  ? 0.33761 0.29717 0.33352 0.01687  0.02965  0.03322  393 PRO A N   
635  C CA  . PRO A 83  ? 0.29821 0.26231 0.28307 0.01976  0.02524  0.04112  393 PRO A CA  
636  C C   . PRO A 83  ? 0.33700 0.30153 0.31694 0.01916  0.02570  0.04861  393 PRO A C   
637  O O   . PRO A 83  ? 0.35705 0.31640 0.34579 0.01921  0.02933  0.05450  393 PRO A O   
638  C CB  . PRO A 83  ? 0.35214 0.31461 0.34465 0.02440  0.02470  0.04692  393 PRO A CB  
639  C CG  . PRO A 83  ? 0.31759 0.27539 0.32411 0.02381  0.02829  0.03905  393 PRO A CG  
640  C CD  . PRO A 83  ? 0.31591 0.27040 0.32770 0.01930  0.03243  0.03261  393 PRO A CD  
641  N N   . THR A 84  ? 0.33343 0.30534 0.30171 0.01864  0.02245  0.04854  394 THR A N   
642  C CA  . THR A 84  ? 0.31508 0.29125 0.27797 0.01832  0.02290  0.05505  394 THR A CA  
643  C C   . THR A 84  ? 0.35419 0.34155 0.31037 0.02150  0.01927  0.06023  394 THR A C   
644  O O   . THR A 84  ? 0.36179 0.35740 0.31322 0.02166  0.01969  0.06665  394 THR A O   
645  C CB  . THR A 84  ? 0.33339 0.31146 0.29068 0.01420  0.02326  0.04907  394 THR A CB  
646  O OG1 . THR A 84  ? 0.44401 0.42676 0.39838 0.01362  0.01996  0.04206  394 THR A OG1 
647  C CG2 . THR A 84  ? 0.33783 0.30774 0.30200 0.01085  0.02707  0.04521  394 THR A CG2 
648  N N   . LYS A 85  ? 0.35127 0.34139 0.30754 0.02394  0.01589  0.05754  395 LYS A N   
649  C CA  . LYS A 85  ? 0.31962 0.32193 0.27164 0.02715  0.01221  0.06157  395 LYS A CA  
650  C C   . LYS A 85  ? 0.37097 0.37045 0.32906 0.03049  0.01033  0.06211  395 LYS A C   
651  O O   . LYS A 85  ? 0.38506 0.37951 0.34592 0.02972  0.00980  0.05449  395 LYS A O   
652  C CB  . LYS A 85  ? 0.31889 0.33243 0.26438 0.02555  0.00923  0.05311  395 LYS A CB  
653  C CG  . LYS A 85  ? 0.49432 0.52609 0.43412 0.02766  0.00638  0.05642  395 LYS A CG  
654  C CD  . LYS A 85  ? 0.63919 0.68270 0.57877 0.02706  0.00281  0.04497  395 LYS A CD  
655  C CE  . LYS A 85  ? 0.59750 0.64336 0.53690 0.02304  0.00441  0.03601  395 LYS A CE  
656  N NZ  . LYS A 85  ? 0.91809 0.97616 0.86308 0.02222  0.00174  0.02346  395 LYS A NZ  
657  N N   . LEU A 86  ? 0.41615 0.42043 0.37735 0.03420  0.00954  0.07225  396 LEU A N   
658  C CA  . LEU A 86  ? 0.31921 0.32282 0.28700 0.03788  0.00750  0.07400  396 LEU A CA  
659  C C   . LEU A 86  ? 0.41658 0.43794 0.37845 0.04064  0.00267  0.07801  396 LEU A C   
660  O O   . LEU A 86  ? 0.44153 0.47687 0.39521 0.03986  0.00161  0.08073  396 LEU A O   
661  C CB  . LEU A 86  ? 0.30058 0.29449 0.28278 0.04007  0.01126  0.08302  396 LEU A CB  
662  C CG  . LEU A 86  ? 0.36610 0.34524 0.35645 0.03690  0.01622  0.07562  396 LEU A CG  
663  C CD1 . LEU A 86  ? 0.34007 0.31634 0.33276 0.03472  0.02008  0.08137  396 LEU A CD1 
664  C CD2 . LEU A 86  ? 0.36005 0.33078 0.36780 0.03928  0.01881  0.07616  396 LEU A CD2 
665  N N   . ARG A 87  ? 0.41504 0.43835 0.38137 0.04370  -0.00021 0.07761  397 ARG A N   
666  C CA  . ARG A 87  ? 0.40165 0.44395 0.36369 0.04625  -0.00519 0.08017  397 ARG A CA  
667  C C   . ARG A 87  ? 0.42919 0.47159 0.40108 0.05095  -0.00625 0.09051  397 ARG A C   
668  O O   . ARG A 87  ? 0.30180 0.32816 0.28477 0.05188  -0.00320 0.09121  397 ARG A O   
669  C CB  . ARG A 87  ? 0.38842 0.43630 0.34724 0.04455  -0.00849 0.06564  397 ARG A CB  
670  C CG  . ARG A 87  ? 0.64607 0.69123 0.61221 0.04686  -0.01090 0.06177  397 ARG A CG  
671  C CD  . ARG A 87  ? 0.78658 0.84336 0.75280 0.04557  -0.01458 0.04959  397 ARG A CD  
672  N NE  . ARG A 87  ? 1.09408 1.14464 1.06941 0.04675  -0.01566 0.04482  397 ARG A NE  
673  C CZ  . ARG A 87  ? 1.00038 1.04144 0.98127 0.04448  -0.01384 0.03815  397 ARG A CZ  
674  N NH1 . ARG A 87  ? 0.84169 0.87796 0.82052 0.04088  -0.01124 0.03470  397 ARG A NH1 
675  N NH2 . ARG A 87  ? 0.55488 0.59282 0.54447 0.04591  -0.01457 0.03617  397 ARG A NH2 
676  N N   . PRO A 88  ? 0.40266 0.46487 0.37223 0.05387  -0.01018 0.09901  398 PRO A N   
677  C CA  . PRO A 88  ? 0.44849 0.51263 0.42963 0.05870  -0.01126 0.11169  398 PRO A CA  
678  C C   . PRO A 88  ? 0.31450 0.37621 0.29982 0.06038  -0.01439 0.10281  398 PRO A C   
679  O O   . PRO A 88  ? 0.39376 0.45414 0.37373 0.05791  -0.01586 0.08813  398 PRO A O   
680  C CB  . PRO A 88  ? 0.38025 0.47233 0.35518 0.06065  -0.01482 0.12451  398 PRO A CB  
681  C CG  . PRO A 88  ? 0.41094 0.51846 0.37049 0.05708  -0.01784 0.10949  398 PRO A CG  
682  C CD  . PRO A 88  ? 0.38411 0.47130 0.34131 0.05271  -0.01369 0.09730  398 PRO A CD  
683  N N   . MET A 89  ? 0.44508 0.50680 0.44268 0.06474  -0.01512 0.11292  399 MET A N   
684  C CA  . MET A 89  ? 0.37642 0.43696 0.37951 0.06678  -0.01794 0.10622  399 MET A CA  
685  C C   . MET A 89  ? 0.43813 0.51157 0.45087 0.07196  -0.02108 0.12078  399 MET A C   
686  O O   . MET A 89  ? 0.36469 0.43402 0.39047 0.07463  -0.01819 0.13590  399 MET A O   
687  C CB  . MET A 89  ? 0.42804 0.46556 0.44121 0.06599  -0.01324 0.09840  399 MET A CB  
688  C CG  . MET A 89  ? 0.44706 0.48394 0.46127 0.06619  -0.01560 0.08713  399 MET A CG  
689  S SD  . MET A 89  ? 0.40945 0.42698 0.43783 0.06645  -0.01016 0.08140  399 MET A SD  
690  C CE  . MET A 89  ? 0.44705 0.45768 0.49347 0.06984  -0.00612 0.09543  399 MET A CE  
691  N N   . SER A 90  ? 0.38337 0.47211 0.39319 0.07346  -0.02672 0.11632  400 SER A N   
692  C CA  . SER A 90  ? 0.30813 0.41049 0.32788 0.07849  -0.03026 0.12979  400 SER A CA  
693  C C   . SER A 90  ? 0.38157 0.46360 0.42048 0.08136  -0.02679 0.13198  400 SER A C   
694  O O   . SER A 90  ? 0.38888 0.45607 0.42930 0.07976  -0.02499 0.11784  400 SER A O   
695  C CB  . SER A 90  ? 0.33622 0.46147 0.34845 0.07876  -0.03725 0.12153  400 SER A CB  
696  O OG  . SER A 90  ? 0.52662 0.66504 0.54924 0.08365  -0.04099 0.13381  400 SER A OG  
697  N N   . MET A 91  ? 0.32421 0.40683 0.37996 0.08551  -0.02532 0.14996  401 MET A N   
698  C CA  . MET A 91  ? 0.33570 0.40054 0.41333 0.08784  -0.02137 0.15036  401 MET A CA  
699  C C   . MET A 91  ? 0.32325 0.39936 0.41391 0.08961  -0.02321 0.16182  401 MET A C   
700  O O   . MET A 91  ? 0.38613 0.48017 0.47389 0.08882  -0.02494 0.17397  401 MET A O   
701  C CB  . MET A 91  ? 0.34307 0.38614 0.43576 0.08674  -0.01325 0.15185  401 MET A CB  
702  C CG  . MET A 91  ? 0.46840 0.49982 0.54671 0.08153  -0.01002 0.13752  401 MET A CG  
703  S SD  . MET A 91  ? 0.66176 0.66774 0.76120 0.07976  -0.00043 0.13138  401 MET A SD  
704  C CE  . MET A 91  ? 0.42558 0.42704 0.55744 0.08531  0.00180  0.13949  401 MET A CE  
705  N N   . LEU A 92  ? 0.39457 0.46119 0.50072 0.09195  -0.02224 0.15813  402 LEU A N   
706  C CA  . LEU A 92  ? 0.30819 0.38274 0.42997 0.09393  -0.02333 0.16827  402 LEU A CA  
707  C C   . LEU A 92  ? 0.40512 0.45922 0.55433 0.09457  -0.01583 0.16928  402 LEU A C   
708  O O   . LEU A 92  ? 0.37277 0.41076 0.52883 0.09509  -0.01266 0.15630  402 LEU A O   
709  C CB  . LEU A 92  ? 0.33073 0.41549 0.44721 0.09596  -0.02944 0.16118  402 LEU A CB  
710  C CG  . LEU A 92  ? 0.43020 0.52565 0.55987 0.09823  -0.03191 0.16999  402 LEU A CG  
711  C CD1 . LEU A 92  ? 0.34085 0.46114 0.46502 0.09755  -0.03516 0.18531  402 LEU A CD1 
712  C CD2 . LEU A 92  ? 0.37473 0.47589 0.49961 0.09997  -0.03725 0.15876  402 LEU A CD2 
713  N N   . TYR A 93  ? 0.32168 0.37861 0.48873 0.09429  -0.01250 0.18405  403 TYR A N   
714  C CA  . TYR A 93  ? 0.30639 0.34454 0.50278 0.09399  -0.00438 0.18346  403 TYR A CA  
715  C C   . TYR A 93  ? 0.42798 0.47522 0.64861 0.09452  -0.00228 0.20181  403 TYR A C   
716  O O   . TYR A 93  ? 0.37252 0.44073 0.58567 0.09463  -0.00603 0.21698  403 TYR A O   
717  C CB  . TYR A 93  ? 0.34307 0.36666 0.54069 0.09134  0.00139  0.17814  403 TYR A CB  
718  C CG  . TYR A 93  ? 0.36775 0.40312 0.55645 0.08951  0.00078  0.19156  403 TYR A CG  
719  C CD1 . TYR A 93  ? 0.36546 0.41235 0.52364 0.08855  -0.00452 0.18965  403 TYR A CD1 
720  C CD2 . TYR A 93  ? 0.36867 0.40562 0.58133 0.08856  0.00584  0.20595  403 TYR A CD2 
721  C CE1 . TYR A 93  ? 0.45987 0.51955 0.60950 0.08663  -0.00469 0.20072  403 TYR A CE1 
722  C CE2 . TYR A 93  ? 0.38703 0.43701 0.59208 0.08688  0.00572  0.21872  403 TYR A CE2 
723  C CZ  . TYR A 93  ? 0.48797 0.54945 0.66035 0.08591  0.00042  0.21563  403 TYR A CZ  
724  O OH  . TYR A 93  ? 0.52867 0.60484 0.69286 0.08400  0.00061  0.22691  403 TYR A OH  
725  N N   . TYR A 94  ? 0.38305 0.41597 0.63498 0.09453  0.00439  0.19982  404 TYR A N   
726  C CA  . TYR A 94  ? 0.42985 0.46876 0.71282 0.09457  0.00829  0.21710  404 TYR A CA  
727  C C   . TYR A 94  ? 0.35559 0.39254 0.65059 0.09198  0.01378  0.22587  404 TYR A C   
728  O O   . TYR A 94  ? 0.41253 0.43277 0.70955 0.08990  0.01846  0.21326  404 TYR A O   
729  C CB  . TYR A 94  ? 0.46326 0.48804 0.77810 0.09495  0.01389  0.20940  404 TYR A CB  
730  C CG  . TYR A 94  ? 0.44031 0.46977 0.75035 0.09768  0.00914  0.20528  404 TYR A CG  
731  C CD1 . TYR A 94  ? 0.33683 0.35793 0.62876 0.09848  0.00685  0.18595  404 TYR A CD1 
732  C CD2 . TYR A 94  ? 0.41755 0.46098 0.74309 0.09942  0.00729  0.22139  404 TYR A CD2 
733  C CE1 . TYR A 94  ? 0.34889 0.37479 0.63841 0.10091  0.00282  0.18227  404 TYR A CE1 
734  C CE2 . TYR A 94  ? 0.38897 0.43675 0.71118 0.10188  0.00299  0.21757  404 TYR A CE2 
735  C CZ  . TYR A 94  ? 0.46668 0.50532 0.77086 0.10261  0.00074  0.19770  404 TYR A CZ  
736  O OH  . TYR A 94  ? 0.51956 0.56323 0.82204 0.10501  -0.00334 0.19415  404 TYR A OH  
737  N N   . ASP A 95  ? 0.54620 0.60209 0.84929 0.09203  0.01331  0.24751  405 ASP A N   
738  C CA  . ASP A 95  ? 0.55830 0.61489 0.87660 0.08974  0.01888  0.25803  405 ASP A CA  
739  C C   . ASP A 95  ? 0.58534 0.64450 0.94907 0.08963  0.02532  0.27336  405 ASP A C   
740  O O   . ASP A 95  ? 0.69612 0.76757 1.07132 0.09159  0.02328  0.28456  405 ASP A O   
741  C CB  . ASP A 95  ? 0.64453 0.72473 0.93791 0.08941  0.01423  0.27203  405 ASP A CB  
742  C CG  . ASP A 95  ? 0.94862 1.02836 1.25521 0.08700  0.02010  0.28079  405 ASP A CG  
743  O OD1 . ASP A 95  ? 0.74581 0.80348 1.05747 0.08509  0.02478  0.26646  405 ASP A OD1 
744  O OD2 . ASP A 95  ? 0.86314 0.96550 1.17737 0.08697  0.02043  0.30185  405 ASP A OD2 
745  N N   . ASP A 96  ? 0.58134 0.62968 0.97296 0.08717  0.03327  0.27374  406 ASP A N   
746  C CA  . ASP A 96  ? 0.72015 0.77320 1.15973 0.08657  0.04018  0.28994  406 ASP A CA  
747  C C   . ASP A 96  ? 0.80776 0.89047 1.24853 0.08785  0.03758  0.31848  406 ASP A C   
748  O O   . ASP A 96  ? 0.79988 0.89402 1.22796 0.08698  0.03718  0.32765  406 ASP A O   
749  C CB  . ASP A 96  ? 0.76603 0.80356 1.23545 0.08329  0.04919  0.28324  406 ASP A CB  
750  C CG  . ASP A 96  ? 1.13590 1.16779 1.66072 0.08199  0.05756  0.28603  406 ASP A CG  
751  O OD1 . ASP A 96  ? 1.21801 1.23196 1.75555 0.08076  0.06082  0.26495  406 ASP A OD1 
752  O OD2 . ASP A 96  ? 1.11971 1.16691 1.67723 0.08199  0.06122  0.30920  406 ASP A OD2 
753  N N   . GLY A 97  ? 0.64303 0.74006 1.09927 0.08982  0.03596  0.33256  407 GLY A N   
754  C CA  . GLY A 97  ? 0.83473 0.96355 1.29508 0.09105  0.03375  0.36036  407 GLY A CA  
755  C C   . GLY A 97  ? 0.92521 1.07502 1.34298 0.09308  0.02383  0.36236  407 GLY A C   
756  O O   . GLY A 97  ? 0.94872 1.12615 1.37280 0.09444  0.02148  0.38338  407 GLY A O   
757  N N   . GLN A 98  ? 0.90785 1.04697 1.28476 0.09311  0.01820  0.34086  408 GLN A N   
758  C CA  . GLN A 98  ? 0.86291 1.02197 1.20001 0.09447  0.00892  0.33911  408 GLN A CA  
759  C C   . GLN A 98  ? 0.70129 0.84950 1.02609 0.09643  0.00399  0.32265  408 GLN A C   
760  O O   . GLN A 98  ? 0.71174 0.87968 1.01353 0.09788  -0.00339 0.32394  408 GLN A O   
761  C CB  . GLN A 98  ? 0.81298 0.97300 1.11333 0.09277  0.00593  0.32827  408 GLN A CB  
762  C CG  . GLN A 98  ? 1.01411 1.19906 1.31465 0.09137  0.00754  0.34728  408 GLN A CG  
763  C CD  . GLN A 98  ? 1.25335 1.45383 1.51147 0.09015  0.00160  0.33948  408 GLN A CD  
764  O OE1 . GLN A 98  ? 1.41202 1.64319 1.65269 0.09062  -0.00386 0.34682  408 GLN A OE1 
765  N NE2 . GLN A 98  ? 1.08736 1.26814 1.33002 0.08829  0.00291  0.32380  408 GLN A NE2 
766  N N   . ASN A 99  ? 0.61531 0.73499 0.95684 0.09638  0.00819  0.30705  409 ASN A N   
767  C CA  . ASN A 99  ? 0.64465 0.75133 0.97391 0.09806  0.00436  0.28822  409 ASN A CA  
768  C C   . ASN A 99  ? 0.40530 0.51336 0.69104 0.09791  -0.00233 0.27294  409 ASN A C   
769  O O   . ASN A 99  ? 0.57326 0.67362 0.84708 0.09587  -0.00042 0.26687  409 ASN A O   
770  C CB  . ASN A 99  ? 0.73783 0.85895 1.07983 0.10048  0.00138  0.29934  409 ASN A CB  
771  C CG  . ASN A 99  ? 0.63533 0.74159 1.02075 0.10046  0.00867  0.30129  409 ASN A CG  
772  O OD1 . ASN A 99  ? 0.65498 0.76052 1.07303 0.09884  0.01574  0.31397  409 ASN A OD1 
773  N ND2 . ASN A 99  ? 0.57069 0.66541 0.95891 0.10199  0.00747  0.28772  409 ASN A ND2 
774  N N   . ILE A 100 ? 0.45640 0.57478 0.72019 0.09976  -0.00985 0.26664  410 ILE A N   
775  C CA  . ILE A 100 ? 0.44933 0.56373 0.67951 0.09946  -0.01503 0.24791  410 ILE A CA  
776  C C   . ILE A 100 ? 0.49190 0.62722 0.69587 0.09774  -0.01890 0.25312  410 ILE A C   
777  O O   . ILE A 100 ? 0.51179 0.67520 0.70991 0.09807  -0.02290 0.26642  410 ILE A O   
778  C CB  . ILE A 100 ? 0.39459 0.51341 0.61490 0.10181  -0.02128 0.23843  410 ILE A CB  
779  C CG1 . ILE A 100 ? 0.38640 0.48342 0.63134 0.10310  -0.01663 0.23035  410 ILE A CG1 
780  C CG2 . ILE A 100 ? 0.34907 0.46710 0.53805 0.10120  -0.02648 0.22050  410 ILE A CG2 
781  C CD1 . ILE A 100 ? 0.46380 0.56270 0.70042 0.10537  -0.02200 0.21937  410 ILE A CD1 
782  N N   . ILE A 101 ? 0.39438 0.51762 0.58288 0.09573  -0.01751 0.24187  411 ILE A N   
783  C CA  . ILE A 101 ? 0.41103 0.55056 0.57558 0.09352  -0.01993 0.24378  411 ILE A CA  
784  C C   . ILE A 101 ? 0.38359 0.51729 0.52054 0.09270  -0.02420 0.22363  411 ILE A C   
785  O O   . ILE A 101 ? 0.43515 0.54460 0.57434 0.09292  -0.02187 0.20964  411 ILE A O   
786  C CB  . ILE A 101 ? 0.45921 0.58996 0.63601 0.09136  -0.01287 0.25192  411 ILE A CB  
787  C CG1 . ILE A 101 ? 0.57658 0.71515 0.78559 0.09197  -0.00802 0.27324  411 ILE A CG1 
788  C CG2 . ILE A 101 ? 0.54903 0.69510 0.70025 0.08889  -0.01499 0.25169  411 ILE A CG2 
789  C CD1 . ILE A 101 ? 0.64735 0.81250 0.85846 0.09381  -0.01253 0.28646  411 ILE A CD1 
790  N N   . LYS A 102 ? 0.40768 0.56541 0.52035 0.09139  -0.02975 0.22191  412 LYS A N   
791  C CA  . LYS A 102 ? 0.33902 0.49428 0.42789 0.08989  -0.03304 0.20417  412 LYS A CA  
792  C C   . LYS A 102 ? 0.31736 0.48315 0.39222 0.08675  -0.03159 0.20726  412 LYS A C   
793  O O   . LYS A 102 ? 0.51102 0.70220 0.58395 0.08583  -0.03224 0.21986  412 LYS A O   
794  C CB  . LYS A 102 ? 0.35135 0.52689 0.42576 0.09060  -0.04091 0.19445  412 LYS A CB  
795  C CG  . LYS A 102 ? 0.56514 0.74477 0.61741 0.08846  -0.04423 0.17710  412 LYS A CG  
796  C CD  . LYS A 102 ? 0.66504 0.85509 0.71144 0.08956  -0.05084 0.16273  412 LYS A CD  
797  C CE  . LYS A 102 ? 0.92942 1.13906 0.95599 0.08669  -0.05510 0.14792  412 LYS A CE  
798  N NZ  . LYS A 102 ? 0.70940 0.95627 0.72689 0.08499  -0.05986 0.14833  412 LYS A NZ  
799  N N   . LYS A 103 ? 0.41317 0.56102 0.47929 0.08509  -0.02925 0.19632  413 LYS A N   
800  C CA  . LYS A 103 ? 0.48550 0.63762 0.54301 0.08211  -0.02625 0.20031  413 LYS A CA  
801  C C   . LYS A 103 ? 0.54725 0.68133 0.59174 0.08043  -0.02522 0.18485  413 LYS A C   
802  O O   . LYS A 103 ? 0.54394 0.65427 0.59567 0.08175  -0.02331 0.17627  413 LYS A O   
803  C CB  . LYS A 103 ? 0.46063 0.60296 0.54149 0.08221  -0.01934 0.21664  413 LYS A CB  
804  C CG  . LYS A 103 ? 0.69387 0.84438 0.77065 0.07946  -0.01592 0.22471  413 LYS A CG  
805  C CD  . LYS A 103 ? 0.66433 0.79608 0.76871 0.07956  -0.00823 0.23559  413 LYS A CD  
806  C CE  . LYS A 103 ? 0.89794 1.04017 1.00148 0.07708  -0.00469 0.24576  413 LYS A CE  
807  N NZ  . LYS A 103 ? 0.93662 1.05365 1.03868 0.07497  -0.00025 0.23592  413 LYS A NZ  
808  N N   . ASP A 104 ? 0.43399 0.58102 0.46034 0.07743  -0.02600 0.18134  414 ASP A N   
809  C CA  . ASP A 104 ? 0.45683 0.58729 0.47264 0.07549  -0.02398 0.16954  414 ASP A CA  
810  C C   . ASP A 104 ? 0.47650 0.58553 0.50560 0.07455  -0.01661 0.17738  414 ASP A C   
811  O O   . ASP A 104 ? 0.53323 0.65171 0.56705 0.07319  -0.01386 0.18981  414 ASP A O   
812  C CB  . ASP A 104 ? 0.37664 0.52879 0.37055 0.07226  -0.02691 0.16169  414 ASP A CB  
813  C CG  . ASP A 104 ? 0.50854 0.68243 0.49175 0.07258  -0.03389 0.14949  414 ASP A CG  
814  O OD1 . ASP A 104 ? 0.56662 0.73934 0.55859 0.07549  -0.03673 0.14923  414 ASP A OD1 
815  O OD2 . ASP A 104 ? 0.78209 0.97455 0.75006 0.06970  -0.03625 0.13878  414 ASP A OD2 
816  N N   . ILE A 105 ? 0.42727 0.50959 0.46424 0.07524  -0.01311 0.16979  415 ILE A N   
817  C CA  . ILE A 105 ? 0.46869 0.53044 0.51993 0.07396  -0.00587 0.17348  415 ILE A CA  
818  C C   . ILE A 105 ? 0.53296 0.58837 0.56695 0.06997  -0.00435 0.16241  415 ILE A C   
819  O O   . ILE A 105 ? 0.41330 0.46660 0.43216 0.06712  -0.00668 0.14418  415 ILE A O   
820  C CB  . ILE A 105 ? 0.36615 0.40441 0.43953 0.07610  -0.00177 0.16881  415 ILE A CB  
821  C CG1 . ILE A 105 ? 0.38401 0.42933 0.47219 0.07905  -0.00387 0.17517  415 ILE A CG1 
822  C CG2 . ILE A 105 ? 0.47028 0.49023 0.56316 0.07440  0.00610  0.17126  415 ILE A CG2 
823  C CD1 . ILE A 105 ? 0.46911 0.51711 0.58137 0.07919  0.00018  0.19086  415 ILE A CD1 
824  N N   . GLN A 106 ? 0.42736 0.47946 0.46557 0.06841  0.00013  0.17114  416 GLN A N   
825  C CA  . GLN A 106 ? 0.39998 0.44868 0.42129 0.06326  0.00160  0.15922  416 GLN A CA  
826  C C   . GLN A 106 ? 0.37893 0.40109 0.40816 0.06008  0.00694  0.14476  416 GLN A C   
827  O O   . GLN A 106 ? 0.46281 0.47022 0.51369 0.06165  0.01095  0.14625  416 GLN A O   
828  C CB  . GLN A 106 ? 0.57322 0.63486 0.59313 0.06251  0.00360  0.17467  416 GLN A CB  
829  C CG  . GLN A 106 ? 0.55777 0.65051 0.56839 0.06281  -0.00126 0.18160  416 GLN A CG  
830  C CD  . GLN A 106 ? 0.71001 0.82029 0.69471 0.06062  -0.00579 0.16958  416 GLN A CD  
831  O OE1 . GLN A 106 ? 0.76417 0.86563 0.73840 0.05746  -0.00391 0.15916  416 GLN A OE1 
832  N NE2 . GLN A 106 ? 0.70409 0.83957 0.68078 0.06151  -0.01138 0.16801  416 GLN A NE2 
833  N N   . ASN A 107 ? 0.42528 0.44383 0.43811 0.05549  0.00693  0.12974  417 ASN A N   
834  C CA  . ASN A 107 ? 0.47470 0.47366 0.49185 0.05171  0.01162  0.11646  417 ASN A CA  
835  C C   . ASN A 107 ? 0.42786 0.41539 0.45612 0.05275  0.01256  0.10682  417 ASN A C   
836  O O   . ASN A 107 ? 0.54150 0.51590 0.58789 0.05239  0.01774  0.10436  417 ASN A O   
837  C CB  . ASN A 107 ? 0.54686 0.53708 0.57873 0.05063  0.01769  0.12500  417 ASN A CB  
838  C CG  . ASN A 107 ? 0.59735 0.60150 0.61955 0.05000  0.01721  0.13719  417 ASN A CG  
839  O OD1 . ASN A 107 ? 0.49781 0.51374 0.49905 0.04792  0.01371  0.13110  417 ASN A OD1 
840  N ND2 . ASN A 107 ? 0.64414 0.64882 0.68397 0.05185  0.02105  0.15484  417 ASN A ND2 
841  N N   . MET A 108 ? 0.47205 0.46640 0.49107 0.05391  0.00778  0.10054  418 MET A N   
842  C CA  . MET A 108 ? 0.31308 0.30062 0.33972 0.05492  0.00802  0.09142  418 MET A CA  
843  C C   . MET A 108 ? 0.32495 0.30888 0.34128 0.05089  0.00815  0.07556  418 MET A C   
844  O O   . MET A 108 ? 0.40952 0.38588 0.43376 0.04973  0.01139  0.06662  418 MET A O   
845  C CB  . MET A 108 ? 0.43549 0.43475 0.46018 0.05888  0.00252  0.09592  418 MET A CB  
846  C CG  . MET A 108 ? 0.45180 0.45688 0.49016 0.06370  0.00185  0.11232  418 MET A CG  
847  S SD  . MET A 108 ? 0.63907 0.62795 0.70763 0.06572  0.00874  0.11678  418 MET A SD  
848  C CE  . MET A 108 ? 0.37288 0.36476 0.44645 0.06929  0.00533  0.11233  418 MET A CE  
849  N N   . ILE A 109 ? 0.28579 0.27783 0.28640 0.04883  0.00472  0.07234  419 ILE A N   
850  C CA  . ILE A 109 ? 0.28494 0.27724 0.27786 0.04564  0.00384  0.06068  419 ILE A CA  
851  C C   . ILE A 109 ? 0.34835 0.33877 0.33368 0.04142  0.00573  0.05772  419 ILE A C   
852  O O   . ILE A 109 ? 0.34829 0.34487 0.32673 0.04104  0.00448  0.06232  419 ILE A O   
853  C CB  . ILE A 109 ? 0.27643 0.28028 0.26367 0.04696  -0.00158 0.05868  419 ILE A CB  
854  C CG1 . ILE A 109 ? 0.32166 0.32739 0.31721 0.05107  -0.00347 0.06132  419 ILE A CG1 
855  C CG2 . ILE A 109 ? 0.29234 0.29727 0.27607 0.04363  -0.00212 0.04908  419 ILE A CG2 
856  C CD1 . ILE A 109 ? 0.26419 0.28466 0.25676 0.05370  -0.00916 0.06392  419 ILE A CD1 
857  N N   . VAL A 110 ? 0.31438 0.29910 0.30076 0.03812  0.00863  0.04988  420 VAL A N   
858  C CA  . VAL A 110 ? 0.37239 0.35648 0.35222 0.03398  0.00999  0.04658  420 VAL A CA  
859  C C   . VAL A 110 ? 0.39223 0.38438 0.36541 0.03273  0.00642  0.04299  420 VAL A C   
860  O O   . VAL A 110 ? 0.36771 0.36310 0.34367 0.03279  0.00496  0.03904  420 VAL A O   
861  C CB  . VAL A 110 ? 0.27735 0.25663 0.26155 0.03075  0.01398  0.03951  420 VAL A CB  
862  C CG1 . VAL A 110 ? 0.29600 0.27662 0.27363 0.02647  0.01467  0.03649  420 VAL A CG1 
863  C CG2 . VAL A 110 ? 0.25356 0.22481 0.24948 0.03151  0.01835  0.04079  420 VAL A CG2 
864  N N   . GLU A 111 ? 0.34014 0.33656 0.30715 0.03150  0.00551  0.04425  421 GLU A N   
865  C CA  . GLU A 111 ? 0.32461 0.32888 0.28982 0.02991  0.00298  0.03908  421 GLU A CA  
866  C C   . GLU A 111 ? 0.40355 0.40539 0.36865 0.02580  0.00507  0.03535  421 GLU A C   
867  O O   . GLU A 111 ? 0.39011 0.39536 0.36068 0.02441  0.00408  0.03152  421 GLU A O   
868  C CB  . GLU A 111 ? 0.47178 0.48654 0.43165 0.03088  0.00084  0.04064  421 GLU A CB  
869  C CG  . GLU A 111 ? 0.69376 0.71979 0.65634 0.02997  -0.00204 0.03254  421 GLU A CG  
870  C CD  . GLU A 111 ? 1.25291 1.29319 1.21374 0.03278  -0.00570 0.03256  421 GLU A CD  
871  O OE1 . GLU A 111 ? 1.24787 1.29739 1.20086 0.03342  -0.00584 0.03752  421 GLU A OE1 
872  O OE2 . GLU A 111 ? 1.29004 1.33422 1.25790 0.03436  -0.00843 0.02848  421 GLU A OE2 
873  N N   A GLU A 112 ? 0.33266 0.32938 0.29399 0.02385  0.00807  0.03738  422 GLU A N   
874  N N   B GLU A 112 ? 0.33285 0.32963 0.29415 0.02389  0.00805  0.03742  422 GLU A N   
875  C CA  A GLU A 112 ? 0.33408 0.32958 0.29521 0.01991  0.00991  0.03433  422 GLU A CA  
876  C CA  B GLU A 112 ? 0.33319 0.32845 0.29450 0.01996  0.00995  0.03436  422 GLU A CA  
877  C C   A GLU A 112 ? 0.28622 0.27400 0.24755 0.01816  0.01366  0.03522  422 GLU A C   
878  C C   B GLU A 112 ? 0.28573 0.27333 0.24755 0.01834  0.01365  0.03510  422 GLU A C   
879  O O   A GLU A 112 ? 0.28951 0.27245 0.25138 0.01962  0.01551  0.03947  422 GLU A O   
880  O O   B GLU A 112 ? 0.28733 0.26982 0.25049 0.02000  0.01545  0.03896  422 GLU A O   
881  C CB  A GLU A 112 ? 0.36403 0.36498 0.32151 0.01851  0.00960  0.03324  422 GLU A CB  
882  C CB  B GLU A 112 ? 0.36627 0.36618 0.32386 0.01830  0.00994  0.03341  422 GLU A CB  
883  C CG  A GLU A 112 ? 0.42595 0.42522 0.38417 0.01454  0.01178  0.03087  422 GLU A CG  
884  C CG  B GLU A 112 ? 0.36730 0.37753 0.32606 0.01975  0.00681  0.03009  422 GLU A CG  
885  C CD  A GLU A 112 ? 0.51609 0.52243 0.47301 0.01309  0.01178  0.02782  422 GLU A CD  
886  C CD  B GLU A 112 ? 0.51419 0.52827 0.48309 0.01801  0.00572  0.02392  422 GLU A CD  
887  O OE1 A GLU A 112 ? 0.52765 0.53844 0.47784 0.01407  0.01223  0.03040  422 GLU A OE1 
888  O OE1 B GLU A 112 ? 0.74307 0.75821 0.71465 0.01511  0.00720  0.02114  422 GLU A OE1 
889  O OE2 A GLU A 112 ? 0.39073 0.39996 0.35496 0.01089  0.01164  0.02323  422 GLU A OE2 
890  O OE2 B GLU A 112 ? 0.43017 0.44654 0.40683 0.01960  0.00364  0.02256  422 GLU A OE2 
891  N N   . CYS A 113 ? 0.27295 0.26147 0.23636 0.01497  0.01487  0.03144  423 CYS A N   
892  C CA  . CYS A 113 ? 0.30560 0.29022 0.27094 0.01235  0.01837  0.02892  423 CYS A CA  
893  C C   . CYS A 113 ? 0.25993 0.24468 0.22320 0.00874  0.01967  0.02819  423 CYS A C   
894  O O   . CYS A 113 ? 0.27650 0.26619 0.23884 0.00769  0.01786  0.02836  423 CYS A O   
895  C CB  . CYS A 113 ? 0.27221 0.26343 0.24114 0.01106  0.01857  0.02423  423 CYS A CB  
896  S SG  . CYS A 113 ? 0.31833 0.31051 0.29120 0.01485  0.01786  0.02363  423 CYS A SG  
897  N N   . GLY A 114 ? 0.25564 0.23530 0.22129 0.00665  0.02316  0.02663  424 GLY A N   
898  C CA  . GLY A 114 ? 0.28443 0.26412 0.24897 0.00310  0.02465  0.02573  424 GLY A CA  
899  C C   . GLY A 114 ? 0.35020 0.32609 0.32113 0.00038  0.02857  0.02127  424 GLY A C   
900  O O   . GLY A 114 ? 0.30834 0.28112 0.28630 0.00131  0.03056  0.01833  424 GLY A O   
901  N N   . CYS A 115 ? 0.29959 0.27606 0.27055 -0.00312 0.03000  0.01978  425 CYS A N   
902  C CA  . CYS A 115 ? 0.34358 0.31809 0.32263 -0.00645 0.03375  0.01375  425 CYS A CA  
903  C C   . CYS A 115 ? 0.33749 0.30175 0.32137 -0.00606 0.03729  0.01913  425 CYS A C   
904  O O   . CYS A 115 ? 0.35019 0.31384 0.32770 -0.00567 0.03675  0.02550  425 CYS A O   
905  C CB  . CYS A 115 ? 0.39064 0.37462 0.36821 -0.01078 0.03296  0.00914  425 CYS A CB  
906  S SG  . CYS A 115 ? 0.35790 0.35851 0.33348 -0.01148 0.02971  0.00505  425 CYS A SG  
907  N N   . SER A 116 ? 0.38437 0.34213 0.38175 -0.00611 0.04128  0.01679  426 SER A N   
908  C CA  . SER A 116 ? 0.41898 0.36783 0.42544 -0.00540 0.04527  0.02481  426 SER A CA  
909  C C   . SER A 116 ? 0.58688 0.53537 0.59507 -0.00955 0.04762  0.02320  426 SER A C   
910  O O   . SER A 116 ? 0.42179 0.37640 0.42817 -0.01335 0.04676  0.01361  426 SER A O   
911  C CB  . SER A 116 ? 0.38281 0.32452 0.40999 -0.00454 0.04962  0.02257  426 SER A CB  
912  O OG  . SER A 116 ? 0.41437 0.35926 0.45142 -0.00889 0.05178  0.00748  426 SER A OG  
913  O OXT . SER A 116 ? 0.54307 0.48688 0.55527 -0.00918 0.05050  0.03217  426 SER A OXT 
914  N N   . GLY B 1   ? 0.55867 0.53674 0.82550 0.04556  0.07074  0.22798  311 GLY B N   
915  C CA  . GLY B 1   ? 0.57392 0.53406 0.85379 0.04142  0.07646  0.21366  311 GLY B CA  
916  C C   . GLY B 1   ? 0.66637 0.62922 0.98783 0.04121  0.08349  0.22325  311 GLY B C   
917  O O   . GLY B 1   ? 0.83834 0.81869 1.17828 0.04449  0.08407  0.24402  311 GLY B O   
918  N N   . LEU B 2   ? 0.49770 0.44467 0.83618 0.03729  0.08904  0.20768  312 LEU B N   
919  C CA  . LEU B 2   ? 0.49685 0.44533 0.87367 0.03649  0.09601  0.21360  312 LEU B CA  
920  C C   . LEU B 2   ? 0.55514 0.50468 0.91094 0.03366  0.09595  0.21450  312 LEU B C   
921  O O   . LEU B 2   ? 0.44189 0.38575 0.75931 0.03096  0.09202  0.20401  312 LEU B O   
922  C CB  . LEU B 2   ? 0.58028 0.51256 0.99598 0.03356  0.10289  0.19245  312 LEU B CB  
923  C CG  . LEU B 2   ? 0.54402 0.47363 0.98573 0.03524  0.10435  0.18648  312 LEU B CG  
924  C CD1 . LEU B 2   ? 0.71821 0.63645 1.20034 0.03137  0.11195  0.16351  312 LEU B CD1 
925  C CD2 . LEU B 2   ? 0.58359 0.53079 1.04997 0.04010  0.10491  0.21322  312 LEU B CD2 
926  N N   . GLU B 3   ? 0.47214 0.42940 0.85617 0.03424  0.10079  0.22712  313 GLU B N   
927  C CA  . GLU B 3   ? 0.51544 0.47253 0.88843 0.03132  0.10225  0.22690  313 GLU B CA  
928  C C   . GLU B 3   ? 0.50654 0.44992 0.91882 0.02821  0.10994  0.21231  313 GLU B C   
929  O O   . GLU B 3   ? 0.47199 0.41817 0.93092 0.03028  0.11550  0.21780  313 GLU B O   
930  C CB  . GLU B 3   ? 0.62114 0.60163 0.99279 0.03460  0.10137  0.25371  313 GLU B CB  
931  C CG  . GLU B 3   ? 0.84790 0.84718 1.18588 0.03768  0.09398  0.26697  313 GLU B CG  
932  C CD  . GLU B 3   ? 1.11433 1.14150 1.45314 0.04073  0.09321  0.29258  313 GLU B CD  
933  O OE1 . GLU B 3   ? 1.16203 1.20903 1.47466 0.04289  0.08731  0.30270  313 GLU B OE1 
934  O OE2 . GLU B 3   ? 1.06149 1.09246 1.42784 0.04091  0.09854  0.30196  313 GLU B OE2 
935  N N   . CYS B 4   ? 0.44381 0.37412 0.83924 0.02304  0.11042  0.19295  314 CYS B N   
936  C CA  . CYS B 4   ? 0.47291 0.39280 0.90339 0.01947  0.11733  0.17630  314 CYS B CA  
937  C C   . CYS B 4   ? 0.47782 0.40823 0.94344 0.02198  0.12252  0.19464  314 CYS B C   
938  O O   . CYS B 4   ? 0.55178 0.49518 1.00069 0.02415  0.12030  0.21546  314 CYS B O   
939  C CB  . CYS B 4   ? 0.47013 0.37914 0.87332 0.01342  0.11637  0.15651  314 CYS B CB  
940  S SG  . CYS B 4   ? 0.49965 0.39885 0.86091 0.01054  0.11038  0.13755  314 CYS B SG  
941  N N   . ASP B 5   ? 0.47659 0.40336 0.99315 0.02164  0.12976  0.18615  315 ASP B N   
942  C CA  . ASP B 5   ? 0.38401 0.32024 0.94268 0.02419  0.13588  0.20227  315 ASP B CA  
943  C C   . ASP B 5   ? 0.41054 0.33763 1.00760 0.02037  0.14320  0.18054  315 ASP B C   
944  O O   . ASP B 5   ? 0.48064 0.41453 1.12648 0.02272  0.14987  0.19002  315 ASP B O   
945  C CB  . ASP B 5   ? 0.43464 0.38378 1.03085 0.02975  0.13822  0.22262  315 ASP B CB  
946  C CG  . ASP B 5   ? 0.55335 0.49473 1.18393 0.02870  0.14201  0.20389  315 ASP B CG  
947  O OD1 . ASP B 5   ? 0.48397 0.43495 1.14946 0.03255  0.14455  0.21805  315 ASP B OD1 
948  O OD2 . ASP B 5   ? 0.55057 0.47823 1.17403 0.02368  0.14258  0.17455  315 ASP B OD2 
949  N N   . GLY B 6   ? 0.55530 0.46953 1.13462 0.01458  0.14233  0.15134  316 GLY B N   
950  C CA  . GLY B 6   ? 0.39920 0.30810 1.01271 0.01030  0.14878  0.12701  316 GLY B CA  
951  C C   . GLY B 6   ? 0.68161 0.59174 1.34591 0.01013  0.15489  0.11136  316 GLY B C   
952  O O   . GLY B 6   ? 0.56636 0.47550 1.26233 0.00633  0.16061  0.08852  316 GLY B O   
953  N N   . LYS B 7   ? 0.43319 0.34744 1.10804 0.01385  0.15410  0.12219  317 LYS B N   
954  C CA  . LYS B 7   ? 0.47141 0.38788 1.19416 0.01318  0.15990  0.10677  317 LYS B CA  
955  C C   . LYS B 7   ? 0.48966 0.40158 1.18744 0.01172  0.15530  0.09254  317 LYS B C   
956  O O   . LYS B 7   ? 0.46308 0.37474 1.18391 0.00788  0.15884  0.06564  317 LYS B O   
957  C CB  . LYS B 7   ? 0.43310 0.36091 1.20666 0.01890  0.16508  0.13265  317 LYS B CB  
958  C CG  . LYS B 7   ? 0.70080 0.63523 1.51879 0.02047  0.17223  0.14323  317 LYS B CG  
959  C CD  . LYS B 7   ? 0.66841 0.61442 1.48656 0.02691  0.17076  0.18276  317 LYS B CD  
960  C CE  . LYS B 7   ? 0.42514 0.38197 1.27702 0.03138  0.17251  0.20114  317 LYS B CE  
961  N NZ  . LYS B 7   ? 0.68881 0.66263 1.55612 0.03757  0.17298  0.23939  317 LYS B NZ  
962  N N   . VAL B 8   ? 0.42265 0.33322 1.07606 0.01474  0.14773  0.10962  318 VAL B N   
963  C CA  . VAL B 8   ? 0.42817 0.33464 1.05901 0.01419  0.14333  0.09840  318 VAL B CA  
964  C C   . VAL B 8   ? 0.67376 0.57154 1.26467 0.00862  0.13953  0.07196  318 VAL B C   
965  O O   . VAL B 8   ? 0.49357 0.38797 1.05315 0.00690  0.13663  0.07408  318 VAL B O   
966  C CB  . VAL B 8   ? 0.46982 0.38049 1.07069 0.01981  0.13673  0.12667  318 VAL B CB  
967  C CG1 . VAL B 8   ? 0.46000 0.36879 1.00473 0.01987  0.12970  0.13691  318 VAL B CG1 
968  C CG2 . VAL B 8   ? 0.39846 0.30630 0.98997 0.02027  0.13368  0.11710  318 VAL B CG2 
969  N N   . ASN B 9   ? 0.55626 0.45247 1.15026 0.00546  0.13982  0.04658  319 ASN B N   
970  C CA  . ASN B 9   ? 0.67449 0.56647 1.23436 0.00001  0.13646  0.02016  319 ASN B CA  
971  C C   . ASN B 9   ? 0.59412 0.48095 1.10656 0.00160  0.12878  0.02284  319 ASN B C   
972  O O   . ASN B 9   ? 0.58149 0.46503 1.05863 -0.00208 0.12498  0.00820  319 ASN B O   
973  C CB  . ASN B 9   ? 0.67347 0.57221 1.26567 -0.00545 0.14173  -0.01375 319 ASN B CB  
974  C CG  . ASN B 9   ? 0.77520 0.68003 1.40887 -0.00845 0.14898  -0.02365 319 ASN B CG  
975  O OD1 . ASN B 9   ? 0.83671 0.74549 1.51722 -0.00573 0.15505  -0.01220 319 ASN B OD1 
976  N ND2 . ASN B 9   ? 0.79972 0.70660 1.41760 -0.01391 0.14842  -0.04413 319 ASN B ND2 
977  N N   . ILE B 10  ? 0.43571 0.32308 0.94761 0.00692  0.12647  0.04078  320 ILE B N   
978  C CA  . ILE B 10  ? 0.56714 0.45032 1.03610 0.00867  0.11940  0.04165  320 ILE B CA  
979  C C   . ILE B 10  ? 0.52897 0.40986 0.95462 0.01090  0.11338  0.06315  320 ILE B C   
980  O O   . ILE B 10  ? 0.50921 0.39328 0.93894 0.01182  0.11451  0.08049  320 ILE B O   
981  C CB  . ILE B 10  ? 0.49499 0.38093 0.97791 0.01318  0.11874  0.05010  320 ILE B CB  
982  C CG1 . ILE B 10  ? 0.35413 0.24703 0.87612 0.01710  0.12269  0.07384  320 ILE B CG1 
983  C CG2 . ILE B 10  ? 0.66840 0.55613 1.17269 0.00945  0.12216  0.02019  320 ILE B CG2 
984  C CD1 . ILE B 10  ? 0.42442 0.32144 0.95376 0.02200  0.12063  0.08788  320 ILE B CD1 
985  N N   . CYS B 11  ? 0.46765 0.34482 0.85303 0.01154  0.10732  0.06081  321 CYS B N   
986  C CA  . CYS B 11  ? 0.49129 0.36801 0.83313 0.01267  0.10150  0.07630  321 CYS B CA  
987  C C   . CYS B 11  ? 0.56336 0.44948 0.90476 0.01723  0.10007  0.10709  321 CYS B C   
988  O O   . CYS B 11  ? 0.45869 0.35190 0.80969 0.02219  0.09868  0.12268  321 CYS B O   
989  C CB  . CYS B 11  ? 0.63601 0.51038 0.94673 0.01496  0.09585  0.07325  321 CYS B CB  
990  S SG  . CYS B 11  ? 0.54782 0.43247 0.79976 0.01601  0.08657  0.08609  321 CYS B SG  
991  N N   . CYS B 12  ? 0.38009 0.26870 0.71000 0.01533  0.10033  0.11527  322 CYS B N   
992  C CA  . CYS B 12  ? 0.53104 0.43247 0.85954 0.01907  0.09925  0.14243  322 CYS B CA  
993  C C   . CYS B 12  ? 0.50822 0.41367 0.79805 0.01709  0.09573  0.14874  322 CYS B C   
994  O O   . CYS B 12  ? 0.39934 0.29606 0.67072 0.01227  0.09552  0.13261  322 CYS B O   
995  C CB  . CYS B 12  ? 0.37639 0.28089 0.75030 0.01929  0.10610  0.14764  322 CYS B CB  
996  S SG  . CYS B 12  ? 0.49614 0.39003 0.89074 0.01251  0.11239  0.12289  322 CYS B SG  
997  N N   . LYS B 13  ? 0.49129 0.41270 0.77057 0.02054  0.09326  0.17190  323 LYS B N   
998  C CA  . LYS B 13  ? 0.62966 0.55962 0.87608 0.01882  0.09055  0.17886  323 LYS B CA  
999  C C   . LYS B 13  ? 0.51686 0.44683 0.78244 0.01636  0.09576  0.18136  323 LYS B C   
1000 O O   . LYS B 13  ? 0.58911 0.52660 0.88591 0.01922  0.09928  0.19506  323 LYS B O   
1001 C CB  . LYS B 13  ? 0.49183 0.44356 0.71709 0.02328  0.08525  0.19974  323 LYS B CB  
1002 C CG  . LYS B 13  ? 0.53969 0.50247 0.72765 0.02112  0.08198  0.20223  323 LYS B CG  
1003 C CD  . LYS B 13  ? 0.56617 0.55383 0.73236 0.02494  0.07636  0.21799  323 LYS B CD  
1004 C CE  . LYS B 13  ? 0.72595 0.72816 0.92119 0.02943  0.07796  0.23797  323 LYS B CE  
1005 N NZ  . LYS B 13  ? 0.72754 0.75831 0.90091 0.03228  0.07266  0.25241  323 LYS B NZ  
1006 N N   . LYS B 14  ? 0.47583 0.39891 0.72385 0.01121  0.09636  0.16927  324 LYS B N   
1007 C CA  . LYS B 14  ? 0.45960 0.38363 0.71995 0.00862  0.10057  0.17137  324 LYS B CA  
1008 C C   . LYS B 14  ? 0.55355 0.49411 0.78329 0.00919  0.09739  0.18641  324 LYS B C   
1009 O O   . LYS B 14  ? 0.43483 0.37857 0.62815 0.00754  0.09308  0.18186  324 LYS B O   
1010 C CB  . LYS B 14  ? 0.46960 0.37844 0.73076 0.00200  0.10328  0.14778  324 LYS B CB  
1011 C CG  . LYS B 14  ? 0.64426 0.54129 0.94373 0.00023  0.10815  0.12984  324 LYS B CG  
1012 C CD  . LYS B 14  ? 0.77859 0.67476 1.10796 -0.00187 0.11388  0.12733  324 LYS B CD  
1013 C CE  . LYS B 14  ? 0.91582 0.80411 1.28499 -0.00400 0.11896  0.10587  324 LYS B CE  
1014 N NZ  . LYS B 14  ? 0.89674 0.78261 1.28411 -0.00859 0.12343  0.09284  324 LYS B NZ  
1015 N N   . GLN B 15  ? 0.52793 0.48067 0.77417 0.01145  0.09988  0.20332  325 GLN B N   
1016 C CA  . GLN B 15  ? 0.46622 0.43636 0.68591 0.01122  0.09771  0.21489  325 GLN B CA  
1017 C C   . GLN B 15  ? 0.40769 0.36879 0.61413 0.00526  0.09955  0.20105  325 GLN B C   
1018 O O   . GLN B 15  ? 0.54461 0.49170 0.77556 0.00233  0.10429  0.19083  325 GLN B O   
1019 C CB  . GLN B 15  ? 0.57919 0.56642 0.82258 0.01514  0.10039  0.23720  325 GLN B CB  
1020 C CG  . GLN B 15  ? 0.79009 0.79023 1.04984 0.02106  0.09886  0.25347  325 GLN B CG  
1021 C CD  . GLN B 15  ? 0.96895 0.99091 1.19350 0.02325  0.09217  0.26244  325 GLN B CD  
1022 O OE1 . GLN B 15  ? 0.89813 0.93952 1.10268 0.02292  0.09057  0.27098  325 GLN B OE1 
1023 N NE2 . GLN B 15  ? 0.79827 0.81861 1.01631 0.02540  0.08833  0.25929  325 GLN B NE2 
1024 N N   . PHE B 16  ? 0.49375 0.46469 0.66296 0.00334  0.09591  0.19958  326 PHE B N   
1025 C CA  . PHE B 16  ? 0.50037 0.46529 0.65580 -0.00235 0.09754  0.18724  326 PHE B CA  
1026 C C   . PHE B 16  ? 0.59557 0.58152 0.72055 -0.00248 0.09492  0.19484  326 PHE B C   
1027 O O   . PHE B 16  ? 0.51156 0.50837 0.60999 -0.00119 0.09017  0.19399  326 PHE B O   
1028 C CB  . PHE B 16  ? 0.45076 0.39982 0.59410 -0.00626 0.09641  0.16681  326 PHE B CB  
1029 C CG  . PHE B 16  ? 0.55026 0.49256 0.68680 -0.01239 0.09879  0.15340  326 PHE B CG  
1030 C CD1 . PHE B 16  ? 0.68311 0.61382 0.84711 -0.01563 0.10351  0.14558  326 PHE B CD1 
1031 C CD2 . PHE B 16  ? 0.61151 0.56075 0.71643 -0.01478 0.09639  0.14778  326 PHE B CD2 
1032 C CE1 . PHE B 16  ? 0.64538 0.57154 0.80388 -0.02142 0.10530  0.13294  326 PHE B CE1 
1033 C CE2 . PHE B 16  ? 0.74606 0.69135 0.84565 -0.01981 0.09718  0.13377  326 PHE B CE2 
1034 C CZ  . PHE B 16  ? 0.59603 0.52916 0.72260 -0.02358 0.10244  0.12819  326 PHE B CZ  
1035 N N   . PHE B 17  ? 0.47130 0.46402 0.60144 -0.00410 0.09816  0.20075  327 PHE B N   
1036 C CA  . PHE B 17  ? 0.51744 0.53189 0.62188 -0.00475 0.09666  0.20633  327 PHE B CA  
1037 C C   . PHE B 17  ? 0.45595 0.46424 0.54238 -0.01053 0.09769  0.19027  327 PHE B C   
1038 O O   . PHE B 17  ? 0.53764 0.53019 0.63983 -0.01412 0.10154  0.18239  327 PHE B O   
1039 C CB  . PHE B 17  ? 0.44117 0.47027 0.56252 -0.00267 0.09980  0.22431  327 PHE B CB  
1040 C CG  . PHE B 17  ? 0.50431 0.55866 0.60052 -0.00346 0.09859  0.22925  327 PHE B CG  
1041 C CD1 . PHE B 17  ? 0.46954 0.55009 0.55141 0.00027  0.09455  0.23991  327 PHE B CD1 
1042 C CD2 . PHE B 17  ? 0.44540 0.49905 0.53339 -0.00816 0.10158  0.22176  327 PHE B CD2 
1043 C CE1 . PHE B 17  ? 0.45704 0.56360 0.51677 -0.00085 0.09364  0.24153  327 PHE B CE1 
1044 C CE2 . PHE B 17  ? 0.41904 0.49725 0.48521 -0.00917 0.10107  0.22427  327 PHE B CE2 
1045 C CZ  . PHE B 17  ? 0.46773 0.57280 0.51966 -0.00557 0.09711  0.23332  327 PHE B CZ  
1046 N N   . VAL B 18  ? 0.47929 0.50165 0.53517 -0.01137 0.09439  0.18463  328 VAL B N   
1047 C CA  . VAL B 18  ? 0.50048 0.52081 0.54001 -0.01630 0.09547  0.16999  328 VAL B CA  
1048 C C   . VAL B 18  ? 0.45050 0.49444 0.47519 -0.01714 0.09623  0.17449  328 VAL B C   
1049 O O   . VAL B 18  ? 0.50597 0.57196 0.51498 -0.01445 0.09298  0.17941  328 VAL B O   
1050 C CB  . VAL B 18  ? 0.46590 0.48370 0.48574 -0.01663 0.09184  0.15671  328 VAL B CB  
1051 C CG1 . VAL B 18  ? 0.43886 0.45664 0.44601 -0.02099 0.09224  0.14097  328 VAL B CG1 
1052 C CG2 . VAL B 18  ? 0.48128 0.47734 0.51484 -0.01585 0.09092  0.15096  328 VAL B CG2 
1053 N N   . SER B 19  ? 0.44088 0.48148 0.47108 -0.02107 0.10051  0.17128  329 SER B N   
1054 C CA  . SER B 19  ? 0.34780 0.40918 0.36373 -0.02300 0.10216  0.17130  329 SER B CA  
1055 C C   . SER B 19  ? 0.46456 0.52663 0.46294 -0.02672 0.10207  0.15328  329 SER B C   
1056 O O   . SER B 19  ? 0.54118 0.58455 0.54698 -0.02992 0.10388  0.14307  329 SER B O   
1057 C CB  . SER B 19  ? 0.41531 0.47338 0.44932 -0.02500 0.10725  0.17854  329 SER B CB  
1058 O OG  . SER B 19  ? 0.53139 0.60020 0.55308 -0.02892 0.10987  0.17085  329 SER B OG  
1059 N N   . PHE B 20  ? 0.39728 0.48263 0.37503 -0.02621 0.10010  0.14849  330 PHE B N   
1060 C CA  . PHE B 20  ? 0.38650 0.47467 0.35187 -0.02919 0.10032  0.13083  330 PHE B CA  
1061 C C   . PHE B 20  ? 0.41952 0.50678 0.39028 -0.03372 0.10563  0.12553  330 PHE B C   
1062 O O   . PHE B 20  ? 0.46579 0.54246 0.43589 -0.03622 0.10359  0.10756  330 PHE B O   
1063 C CB  . PHE B 20  ? 0.37274 0.48764 0.31871 -0.02758 0.09685  0.12399  330 PHE B CB  
1064 C CG  . PHE B 20  ? 0.40896 0.52538 0.34958 -0.02331 0.09127  0.12756  330 PHE B CG  
1065 C CD1 . PHE B 20  ? 0.38730 0.48199 0.33151 -0.02230 0.08801  0.12170  330 PHE B CD1 
1066 C CD2 . PHE B 20  ? 0.57209 0.71187 0.50525 -0.02009 0.08817  0.13519  330 PHE B CD2 
1067 C CE1 . PHE B 20  ? 0.50290 0.59982 0.44246 -0.01834 0.08333  0.12545  330 PHE B CE1 
1068 C CE2 . PHE B 20  ? 0.48445 0.62677 0.41394 -0.01617 0.08290  0.13859  330 PHE B CE2 
1069 C CZ  . PHE B 20  ? 0.36753 0.48800 0.29995 -0.01532 0.08089  0.13430  330 PHE B CZ  
1070 N N   . LYS B 21  ? 0.47927 0.57353 0.45680 -0.03424 0.10883  0.13632  331 LYS B N   
1071 C CA  . LYS B 21  ? 0.54552 0.63592 0.53115 -0.03857 0.11399  0.13242  331 LYS B CA  
1072 C C   . LYS B 21  ? 0.57434 0.63577 0.57792 -0.04081 0.11516  0.12855  331 LYS B C   
1073 O O   . LYS B 21  ? 0.48809 0.54130 0.49315 -0.04409 0.11546  0.11429  331 LYS B O   
1074 C CB  . LYS B 21  ? 0.55911 0.66228 0.55044 -0.03813 0.11704  0.14671  331 LYS B CB  
1075 C CG  . LYS B 21  ? 0.69909 0.80798 0.69295 -0.04245 0.12246  0.14180  331 LYS B CG  
1076 C CD  . LYS B 21  ? 0.87371 0.99122 0.87784 -0.04171 0.12568  0.15849  331 LYS B CD  
1077 C CE  . LYS B 21  ? 1.06230 1.17520 1.07644 -0.04631 0.13119  0.15484  331 LYS B CE  
1078 N NZ  . LYS B 21  ? 0.93853 1.02862 0.97783 -0.04703 0.13280  0.16235  331 LYS B NZ  
1079 N N   . ASP B 22  ? 0.49719 0.54277 0.51566 -0.03872 0.11383  0.13738  332 ASP B N   
1080 C CA  . ASP B 22  ? 0.56290 0.58339 0.60092 -0.04113 0.11487  0.13128  332 ASP B CA  
1081 C C   . ASP B 22  ? 0.50347 0.51318 0.53334 -0.04257 0.10996  0.11145  332 ASP B C   
1082 O O   . ASP B 22  ? 0.60585 0.60515 0.64311 -0.04615 0.10971  0.09958  332 ASP B O   
1083 C CB  . ASP B 22  ? 0.50652 0.51446 0.56254 -0.03805 0.11367  0.14045  332 ASP B CB  
1084 C CG  . ASP B 22  ? 0.85177 0.86464 0.92460 -0.03645 0.11657  0.15591  332 ASP B CG  
1085 O OD1 . ASP B 22  ? 0.99068 0.99287 1.08511 -0.03395 0.11683  0.16273  332 ASP B OD1 
1086 O OD2 . ASP B 22  ? 0.89510 0.92339 0.96151 -0.03751 0.11903  0.16103  332 ASP B OD2 
1087 N N   . ILE B 23  ? 0.51218 0.52547 0.52706 -0.03949 0.10411  0.10642  333 ILE B N   
1088 C CA  . ILE B 23  ? 0.40842 0.41172 0.41753 -0.04010 0.09756  0.08824  333 ILE B CA  
1089 C C   . ILE B 23  ? 0.48498 0.49980 0.48127 -0.04143 0.09558  0.07627  333 ILE B C   
1090 O O   . ILE B 23  ? 0.52212 0.53160 0.51515 -0.04165 0.09027  0.06317  333 ILE B O   
1091 C CB  . ILE B 23  ? 0.38221 0.38102 0.38616 -0.03628 0.09245  0.08819  333 ILE B CB  
1092 C CG1 . ILE B 23  ? 0.41349 0.43065 0.40005 -0.03299 0.09042  0.09201  333 ILE B CG1 
1093 C CG2 . ILE B 23  ? 0.61524 0.60432 0.63609 -0.03480 0.09555  0.10086  333 ILE B CG2 
1094 C CD1 . ILE B 23  ? 0.42687 0.43945 0.40853 -0.02936 0.08501  0.09066  333 ILE B CD1 
1095 N N   . GLY B 24  ? 0.47232 0.50425 0.46374 -0.04239 0.10011  0.08051  334 GLY B N   
1096 C CA  . GLY B 24  ? 0.44596 0.48846 0.43112 -0.04429 0.09954  0.06718  334 GLY B CA  
1097 C C   . GLY B 24  ? 0.41987 0.47631 0.39194 -0.04193 0.09562  0.05916  334 GLY B C   
1098 O O   . GLY B 24  ? 0.50313 0.56214 0.47574 -0.04317 0.09353  0.04466  334 GLY B O   
1099 N N   . TRP B 25  ? 0.53258 0.59910 0.49557 -0.03859 0.09471  0.06821  335 TRP B N   
1100 C CA  . TRP B 25  ? 0.39445 0.47632 0.34600 -0.03648 0.09095  0.05968  335 TRP B CA  
1101 C C   . TRP B 25  ? 0.50433 0.61765 0.44582 -0.03660 0.09493  0.06228  335 TRP B C   
1102 O O   . TRP B 25  ? 0.57586 0.70686 0.50871 -0.03536 0.09238  0.05320  335 TRP B O   
1103 C CB  . TRP B 25  ? 0.36275 0.43754 0.31030 -0.03257 0.08617  0.06584  335 TRP B CB  
1104 C CG  . TRP B 25  ? 0.41433 0.46426 0.36938 -0.03234 0.08147  0.05948  335 TRP B CG  
1105 C CD1 . TRP B 25  ? 0.46959 0.50474 0.43439 -0.03521 0.08111  0.05168  335 TRP B CD1 
1106 C CD2 . TRP B 25  ? 0.52802 0.56822 0.48158 -0.02919 0.07668  0.06127  335 TRP B CD2 
1107 N NE1 . TRP B 25  ? 0.41466 0.43417 0.38309 -0.03418 0.07633  0.04829  335 TRP B NE1 
1108 C CE2 . TRP B 25  ? 0.36294 0.38437 0.32473 -0.03051 0.07377  0.05359  335 TRP B CE2 
1109 C CE3 . TRP B 25  ? 0.36797 0.41557 0.31431 -0.02541 0.07453  0.06875  335 TRP B CE3 
1110 C CZ2 . TRP B 25  ? 0.40710 0.41736 0.36974 -0.02833 0.06929  0.05254  335 TRP B CZ2 
1111 C CZ3 . TRP B 25  ? 0.43780 0.47154 0.38595 -0.02307 0.06992  0.06746  335 TRP B CZ3 
1112 C CH2 . TRP B 25  ? 0.50989 0.52538 0.46594 -0.02462 0.06760  0.05914  335 TRP B CH2 
1113 N N   . ASN B 26  ? 0.47495 0.59804 0.41823 -0.03821 0.10125  0.07426  336 ASN B N   
1114 C CA  . ASN B 26  ? 0.54907 0.70720 0.48190 -0.03847 0.10543  0.07860  336 ASN B CA  
1115 C C   . ASN B 26  ? 0.65789 0.83325 0.58896 -0.04151 0.10714  0.05781  336 ASN B C   
1116 O O   . ASN B 26  ? 0.72648 0.92804 0.65096 -0.04136 0.10897  0.05649  336 ASN B O   
1117 C CB  . ASN B 26  ? 0.54724 0.70634 0.48577 -0.03849 0.10988  0.09677  336 ASN B CB  
1118 C CG  . ASN B 26  ? 0.54110 0.68533 0.49266 -0.04264 0.11541  0.09594  336 ASN B CG  
1119 O OD1 . ASN B 26  ? 0.68411 0.80570 0.64331 -0.04415 0.11291  0.08396  336 ASN B OD1 
1120 N ND2 . ASN B 26  ? 0.68708 0.83797 0.64284 -0.04349 0.11949  0.10542  336 ASN B ND2 
1121 N N   . ASP B 27  ? 0.59310 0.74971 0.53359 -0.04305 0.10440  0.04031  337 ASP B N   
1122 C CA  . ASP B 27  ? 0.62113 0.79337 0.56531 -0.04563 0.10603  0.01933  337 ASP B CA  
1123 C C   . ASP B 27  ? 0.67824 0.86662 0.61748 -0.04400 0.10200  0.00494  337 ASP B C   
1124 O O   . ASP B 27  ? 0.78131 0.99254 0.72328 -0.04603 0.10443  -0.01275 337 ASP B O   
1125 C CB  . ASP B 27  ? 0.78674 0.93409 0.74752 -0.04780 0.10496  0.00846  337 ASP B CB  
1126 C CG  . ASP B 27  ? 0.91289 1.03347 0.87881 -0.04563 0.09783  0.00765  337 ASP B CG  
1127 O OD1 . ASP B 27  ? 0.83516 0.94311 0.79551 -0.04336 0.09542  0.02166  337 ASP B OD1 
1128 O OD2 . ASP B 27  ? 0.80536 0.91885 0.78296 -0.04622 0.09499  -0.00650 337 ASP B OD2 
1129 N N   . TRP B 28  ? 0.58956 0.76732 0.52370 -0.04056 0.09622  0.01089  338 TRP B N   
1130 C CA  . TRP B 28  ? 0.55147 0.74366 0.48207 -0.03890 0.09212  -0.00197 338 TRP B CA  
1131 C C   . TRP B 28  ? 0.58485 0.79230 0.50008 -0.03557 0.08981  0.01194  338 TRP B C   
1132 O O   . TRP B 28  ? 0.67913 0.90733 0.58943 -0.03459 0.08719  0.00116  338 TRP B O   
1133 C CB  . TRP B 28  ? 0.58852 0.75401 0.53161 -0.03788 0.08644  -0.01197 338 TRP B CB  
1134 C CG  . TRP B 28  ? 0.69547 0.83584 0.63542 -0.03486 0.08175  0.00261  338 TRP B CG  
1135 C CD1 . TRP B 28  ? 0.70250 0.81909 0.64569 -0.03505 0.08217  0.01553  338 TRP B CD1 
1136 C CD2 . TRP B 28  ? 0.72497 0.86240 0.66014 -0.03147 0.07617  0.00365  338 TRP B CD2 
1137 N NE1 . TRP B 28  ? 0.68467 0.78472 0.62559 -0.03206 0.07750  0.02375  338 TRP B NE1 
1138 C CE2 . TRP B 28  ? 0.63394 0.74566 0.56943 -0.02970 0.07374  0.01752  338 TRP B CE2 
1139 C CE3 . TRP B 28  ? 0.66432 0.81945 0.59634 -0.02997 0.07317  -0.00693 338 TRP B CE3 
1140 C CZ2 . TRP B 28  ? 0.60403 0.70699 0.53615 -0.02635 0.06867  0.02173  338 TRP B CZ2 
1141 C CZ3 . TRP B 28  ? 0.74072 0.88625 0.66902 -0.02654 0.06780  -0.00167 338 TRP B CZ3 
1142 C CH2 . TRP B 28  ? 0.86506 0.98453 0.79308 -0.02468 0.06569  0.01292  338 TRP B CH2 
1143 N N   . ILE B 29  ? 0.46931 0.66846 0.37961 -0.03384 0.09084  0.03514  339 ILE B N   
1144 C CA  . ILE B 29  ? 0.49194 0.70334 0.39256 -0.02987 0.08762  0.05059  339 ILE B CA  
1145 C C   . ILE B 29  ? 0.50419 0.73655 0.40189 -0.02972 0.08968  0.06017  339 ILE B C   
1146 O O   . ILE B 29  ? 0.53635 0.75946 0.43946 -0.03093 0.09424  0.07211  339 ILE B O   
1147 C CB  . ILE B 29  ? 0.61332 0.79915 0.51702 -0.02731 0.08637  0.06975  339 ILE B CB  
1148 C CG1 . ILE B 29  ? 0.53980 0.70508 0.44631 -0.02557 0.08014  0.05906  339 ILE B CG1 
1149 C CG2 . ILE B 29  ? 0.47030 0.66669 0.37048 -0.02321 0.08337  0.08787  339 ILE B CG2 
1150 C CD1 . ILE B 29  ? 0.56282 0.69431 0.47842 -0.02423 0.07862  0.06933  339 ILE B CD1 
1151 N N   . ILE B 30  ? 0.58390 0.84629 0.47450 -0.02857 0.08627  0.05461  340 ILE B N   
1152 C CA  . ILE B 30  ? 0.47414 0.76296 0.36195 -0.02892 0.08788  0.06183  340 ILE B CA  
1153 C C   . ILE B 30  ? 0.45985 0.75303 0.34680 -0.02511 0.08579  0.08812  340 ILE B C   
1154 O O   . ILE B 30  ? 0.52834 0.82688 0.41882 -0.02518 0.08915  0.10347  340 ILE B O   
1155 C CB  . ILE B 30  ? 0.54932 0.87293 0.43290 -0.03038 0.08516  0.04105  340 ILE B CB  
1156 C CG1 . ILE B 30  ? 0.47317 0.79227 0.36419 -0.03450 0.08864  0.01576  340 ILE B CG1 
1157 C CG2 . ILE B 30  ? 0.47607 0.83364 0.35551 -0.03042 0.08545  0.05003  340 ILE B CG2 
1158 C CD1 . ILE B 30  ? 0.53907 0.88305 0.43244 -0.03606 0.08511  -0.00985 340 ILE B CD1 
1159 N N   . ALA B 31  ? 0.46318 0.75397 0.34813 -0.02166 0.08047  0.09420  341 ALA B N   
1160 C CA  . ALA B 31  ? 0.53740 0.83259 0.42600 -0.01775 0.07848  0.11916  341 ALA B CA  
1161 C C   . ALA B 31  ? 0.45763 0.73460 0.34767 -0.01451 0.07408  0.12325  341 ALA B C   
1162 O O   . ALA B 31  ? 0.50850 0.78446 0.39262 -0.01487 0.07090  0.10611  341 ALA B O   
1163 C CB  . ALA B 31  ? 0.56467 0.90348 0.44828 -0.01663 0.07558  0.12358  341 ALA B CB  
1164 N N   . PRO B 32  ? 0.45918 0.72165 0.35939 -0.01130 0.07398  0.14500  342 PRO B N   
1165 C CA  . PRO B 32  ? 0.50219 0.76367 0.41469 -0.01047 0.07780  0.16611  342 PRO B CA  
1166 C C   . PRO B 32  ? 0.48818 0.72005 0.40864 -0.01382 0.08379  0.16370  342 PRO B C   
1167 O O   . PRO B 32  ? 0.46386 0.67932 0.37953 -0.01663 0.08472  0.14643  342 PRO B O   
1168 C CB  . PRO B 32  ? 0.50379 0.75765 0.42815 -0.00567 0.07485  0.18511  342 PRO B CB  
1169 C CG  . PRO B 32  ? 0.54439 0.77448 0.46498 -0.00537 0.07204  0.17295  342 PRO B CG  
1170 C CD  . PRO B 32  ? 0.43360 0.67870 0.33699 -0.00805 0.07000  0.14931  342 PRO B CD  
1171 N N   . SER B 33  ? 0.51416 0.74062 0.44874 -0.01364 0.08791  0.18049  343 SER B N   
1172 C CA  . SER B 33  ? 0.47461 0.67481 0.41902 -0.01716 0.09357  0.17800  343 SER B CA  
1173 C C   . SER B 33  ? 0.53388 0.69885 0.49147 -0.01667 0.09354  0.17929  343 SER B C   
1174 O O   . SER B 33  ? 0.48002 0.62260 0.44382 -0.02017 0.09707  0.17144  343 SER B O   
1175 C CB  . SER B 33  ? 0.49242 0.70107 0.44959 -0.01715 0.09795  0.19491  343 SER B CB  
1176 O OG  . SER B 33  ? 0.59547 0.79412 0.57323 -0.01331 0.09772  0.21519  343 SER B OG  
1177 N N   . GLY B 34  ? 0.44112 0.60262 0.40417 -0.01253 0.08961  0.18824  344 GLY B N   
1178 C CA  . GLY B 34  ? 0.55839 0.68892 0.53582 -0.01174 0.08952  0.18909  344 GLY B CA  
1179 C C   . GLY B 34  ? 0.48113 0.61678 0.46296 -0.00663 0.08500  0.19964  344 GLY B C   
1180 O O   . GLY B 34  ? 0.56470 0.72826 0.53803 -0.00398 0.08177  0.20609  344 GLY B O   
1181 N N   . TYR B 35  ? 0.45834 0.56847 0.45503 -0.00534 0.08483  0.20079  345 TYR B N   
1182 C CA  . TYR B 35  ? 0.46424 0.57820 0.46721 -0.00042 0.08089  0.21042  345 TYR B CA  
1183 C C   . TYR B 35  ? 0.45592 0.53961 0.48057 0.00041  0.08231  0.21055  345 TYR B C   
1184 O O   . TYR B 35  ? 0.45655 0.51744 0.48648 -0.00316 0.08525  0.19956  345 TYR B O   
1185 C CB  . TYR B 35  ? 0.45685 0.58495 0.43613 0.00045  0.07523  0.19966  345 TYR B CB  
1186 C CG  . TYR B 35  ? 0.41649 0.52178 0.38903 -0.00114 0.07391  0.18349  345 TYR B CG  
1187 C CD1 . TYR B 35  ? 0.39956 0.49091 0.36705 -0.00569 0.07688  0.16946  345 TYR B CD1 
1188 C CD2 . TYR B 35  ? 0.46623 0.56594 0.43857 0.00205  0.06976  0.18300  345 TYR B CD2 
1189 C CE1 . TYR B 35  ? 0.42935 0.50305 0.39231 -0.00679 0.07575  0.15627  345 TYR B CE1 
1190 C CE2 . TYR B 35  ? 0.44009 0.52086 0.40691 0.00090  0.06864  0.16936  345 TYR B CE2 
1191 C CZ  . TYR B 35  ? 0.42147 0.49009 0.38373 -0.00342 0.07164  0.15645  345 TYR B CZ  
1192 O OH  . TYR B 35  ? 0.37651 0.42741 0.33556 -0.00411 0.06838  0.13969  345 TYR B OH  
1193 N N   . HIS B 36  ? 0.44475 0.53053 0.48318 0.00508  0.08025  0.22216  346 HIS B N   
1194 C CA  . HIS B 36  ? 0.46613 0.52641 0.52745 0.00642  0.08151  0.22146  346 HIS B CA  
1195 C C   . HIS B 36  ? 0.55530 0.60545 0.59985 0.00613  0.07750  0.20707  346 HIS B C   
1196 O O   . HIS B 36  ? 0.48396 0.54670 0.51868 0.00943  0.07279  0.20996  346 HIS B O   
1197 C CB  . HIS B 36  ? 0.49417 0.56277 0.58116 0.01168  0.08176  0.24057  346 HIS B CB  
1198 C CG  . HIS B 36  ? 0.59703 0.66805 0.71078 0.01219  0.08704  0.25428  346 HIS B CG  
1199 N ND1 . HIS B 36  ? 0.65260 0.75098 0.76347 0.01353  0.08732  0.26905  346 HIS B ND1 
1200 C CD2 . HIS B 36  ? 0.60222 0.65315 0.74745 0.01148  0.09242  0.25454  346 HIS B CD2 
1201 C CE1 . HIS B 36  ? 0.65689 0.75110 0.79630 0.01397  0.09263  0.27959  346 HIS B CE1 
1202 N NE2 . HIS B 36  ? 0.66968 0.73499 0.83095 0.01274  0.09582  0.27042  346 HIS B NE2 
1203 N N   . ALA B 37  ? 0.42534 0.45423 0.46758 0.00216  0.07943  0.19165  347 ALA B N   
1204 C CA  . ALA B 37  ? 0.41658 0.43514 0.44579 0.00192  0.07637  0.17858  347 ALA B CA  
1205 C C   . ALA B 37  ? 0.48480 0.48423 0.53621 0.00407  0.07699  0.17888  347 ALA B C   
1206 O O   . ALA B 37  ? 0.46271 0.46028 0.50597 0.00631  0.07330  0.17497  347 ALA B O   
1207 C CB  . ALA B 37  ? 0.40319 0.41119 0.42137 -0.00314 0.07832  0.16247  347 ALA B CB  
1208 N N   . ASN B 38  ? 0.44409 0.42976 0.52525 0.00330  0.08188  0.18181  348 ASN B N   
1209 C CA  . ASN B 38  ? 0.43620 0.40555 0.54475 0.00514  0.08353  0.18047  348 ASN B CA  
1210 C C   . ASN B 38  ? 0.55183 0.50336 0.65509 0.00256  0.08324  0.16264  348 ASN B C   
1211 O O   . ASN B 38  ? 0.43157 0.38747 0.50672 0.00069  0.07834  0.14822  348 ASN B O   
1212 C CB  . ASN B 38  ? 0.40670 0.38836 0.52046 0.01101  0.08020  0.19426  348 ASN B CB  
1213 C CG  . ASN B 38  ? 0.45535 0.45904 0.57400 0.01372  0.08033  0.21306  348 ASN B CG  
1214 O OD1 . ASN B 38  ? 0.51994 0.52435 0.65230 0.01218  0.08451  0.21805  348 ASN B OD1 
1215 N ND2 . ASN B 38  ? 0.44877 0.47239 0.55678 0.01771  0.07576  0.22356  348 ASN B ND2 
1216 N N   . TYR B 39  ? 0.44735 0.38355 0.57679 0.00301  0.08547  0.15636  349 TYR B N   
1217 C CA  . TYR B 39  ? 0.45897 0.38548 0.58160 0.00127  0.08178  0.13194  349 TYR B CA  
1218 C C   . TYR B 39  ? 0.46470 0.38019 0.61841 0.00339  0.08461  0.13041  349 TYR B C   
1219 O O   . TYR B 39  ? 0.47286 0.38814 0.65381 0.00642  0.08869  0.14743  349 TYR B O   
1220 C CB  . TYR B 39  ? 0.38755 0.30801 0.50688 -0.00463 0.08269  0.11263  349 TYR B CB  
1221 C CG  . TYR B 39  ? 0.43881 0.34886 0.59241 -0.00786 0.09015  0.11104  349 TYR B CG  
1222 C CD1 . TYR B 39  ? 0.48266 0.39537 0.64624 -0.00886 0.09508  0.12627  349 TYR B CD1 
1223 C CD2 . TYR B 39  ? 0.41240 0.31191 0.58965 -0.01027 0.09258  0.09295  349 TYR B CD2 
1224 C CE1 . TYR B 39  ? 0.57924 0.48345 0.77588 -0.01171 0.10142  0.12313  349 TYR B CE1 
1225 C CE2 . TYR B 39  ? 0.38727 0.27823 0.59980 -0.01369 0.09980  0.08882  349 TYR B CE2 
1226 C CZ  . TYR B 39  ? 0.54033 0.43247 0.76290 -0.01442 0.10424  0.10441  349 TYR B CZ  
1227 O OH  . TYR B 39  ? 0.52720 0.41569 0.78237 -0.01644 0.10909  0.09709  349 TYR B OH  
1228 N N   . CYS B 40  ? 0.46703 0.37655 0.61701 0.00200  0.08190  0.10899  350 CYS B N   
1229 C CA  . CYS B 40  ? 0.41013 0.31174 0.58514 0.00399  0.08374  0.10334  350 CYS B CA  
1230 C C   . CYS B 40  ? 0.54702 0.43972 0.74409 -0.00100 0.08783  0.07997  350 CYS B C   
1231 O O   . CYS B 40  ? 0.46176 0.35720 0.64174 -0.00553 0.08569  0.06316  350 CYS B O   
1232 C CB  . CYS B 40  ? 0.37375 0.28048 0.52514 0.00690  0.07697  0.09749  350 CYS B CB  
1233 S SG  . CYS B 40  ? 0.47361 0.39431 0.60103 0.01247  0.07176  0.12094  350 CYS B SG  
1234 N N   . GLU B 41  ? 0.51916 0.40328 0.75618 -0.00019 0.09373  0.07836  351 GLU B N   
1235 C CA  . GLU B 41  ? 0.47431 0.35229 0.73981 -0.00531 0.09904  0.05557  351 GLU B CA  
1236 C C   . GLU B 41  ? 0.59001 0.46011 0.89947 -0.00346 0.10483  0.05161  351 GLU B C   
1237 O O   . GLU B 41  ? 0.56007 0.43456 0.88745 0.00176  0.10577  0.07097  351 GLU B O   
1238 C CB  . GLU B 41  ? 0.46298 0.33757 0.74456 -0.00892 0.10418  0.06003  351 GLU B CB  
1239 C CG  . GLU B 41  ? 0.81624 0.69306 1.09532 -0.01574 0.10461  0.03416  351 GLU B CG  
1240 C CD  . GLU B 41  ? 0.86769 0.73988 1.17958 -0.01899 0.11158  0.03441  351 GLU B CD  
1241 O OE1 . GLU B 41  ? 0.86595 0.74075 1.19477 -0.01414 0.11363  0.05506  351 GLU B OE1 
1242 O OE2 . GLU B 41  ? 0.88147 0.75490 1.19775 -0.02528 0.11303  0.01287  351 GLU B OE2 
1243 N N   . GLY B 42  ? 0.46221 0.33313 0.78299 -0.00685 0.10611  0.02395  352 GLY B N   
1244 C CA  . GLY B 42  ? 0.61595 0.48780 0.97821 -0.00566 0.11101  0.01428  352 GLY B CA  
1245 C C   . GLY B 42  ? 0.57254 0.44529 0.92986 -0.00556 0.10937  -0.00408 352 GLY B C   
1246 O O   . GLY B 42  ? 0.52384 0.40290 0.84022 -0.00492 0.10241  -0.00606 352 GLY B O   
1247 N N   . GLU B 43  ? 0.64095 0.51911 1.03539 -0.00558 0.11385  -0.01671 353 GLU B N   
1248 C CA  . GLU B 43  ? 0.55718 0.44109 0.95450 -0.00681 0.11381  -0.04003 353 GLU B CA  
1249 C C   . GLU B 43  ? 0.50307 0.38263 0.88517 -0.00047 0.10975  -0.02530 353 GLU B C   
1250 O O   . GLU B 43  ? 0.54812 0.42369 0.93099 0.00501  0.10820  0.00258  353 GLU B O   
1251 C CB  . GLU B 43  ? 0.58155 0.47502 1.02725 -0.00945 0.12060  -0.05680 353 GLU B CB  
1252 C CG  . GLU B 43  ? 0.53405 0.43491 0.99869 -0.01556 0.12488  -0.07381 353 GLU B CG  
1253 C CD  . GLU B 43  ? 1.08989 1.00052 1.60985 -0.01744 0.13261  -0.08593 353 GLU B CD  
1254 O OE1 . GLU B 43  ? 0.91209 0.82269 1.46057 -0.01777 0.13727  -0.07943 353 GLU B OE1 
1255 O OE2 . GLU B 43  ? 1.21691 1.13625 1.75369 -0.01867 0.13437  -0.10207 353 GLU B OE2 
1256 N N   . CYS B 44  ? 0.63571 0.51989 1.00432 -0.00118 0.10794  -0.04503 354 CYS B N   
1257 C CA  . CYS B 44  ? 0.81038 0.69603 1.15689 0.00440  0.10248  -0.03352 354 CYS B CA  
1258 C C   . CYS B 44  ? 0.91858 0.80939 1.28632 0.00417  0.10575  -0.05553 354 CYS B C   
1259 O O   . CYS B 44  ? 0.71210 0.61528 1.05056 0.00361  0.10103  -0.06684 354 CYS B O   
1260 C CB  . CYS B 44  ? 0.56515 0.46119 0.85537 0.00399  0.09321  -0.02973 354 CYS B CB  
1261 S SG  . CYS B 44  ? 0.58753 0.47818 0.85129 0.00776  0.08813  0.00334  354 CYS B SG  
1262 N N   . PRO B 45  ? 0.92083 0.81522 1.33136 0.00314  0.11103  -0.05790 355 PRO B N   
1263 C CA  . PRO B 45  ? 0.95707 0.86282 1.38724 0.00088  0.11377  -0.08046 355 PRO B CA  
1264 C C   . PRO B 45  ? 0.90270 0.80562 1.32307 0.00690  0.11045  -0.07043 355 PRO B C   
1265 O O   . PRO B 45  ? 1.03954 0.93303 1.45622 0.01300  0.10766  -0.04233 355 PRO B O   
1266 C CB  . PRO B 45  ? 0.92998 0.83940 1.41249 -0.00189 0.12083  -0.08196 355 PRO B CB  
1267 C CG  . PRO B 45  ? 0.80032 0.69846 1.28881 0.00314  0.12037  -0.04877 355 PRO B CG  
1268 C CD  . PRO B 45  ? 0.73663 0.62696 1.17975 0.00467  0.11464  -0.03718 355 PRO B CD  
1269 N N   . LEU B 56  ? 1.06491 0.97058 1.30269 0.04642  0.06398  0.11372  366 LEU B N   
1270 C CA  . LEU B 56  ? 1.13901 1.05480 1.38411 0.05121  0.06139  0.13875  366 LEU B CA  
1271 C C   . LEU B 56  ? 1.02723 0.95383 1.23760 0.05490  0.05295  0.14654  366 LEU B C   
1272 O O   . LEU B 56  ? 0.95918 0.89690 1.17270 0.05819  0.04953  0.15793  366 LEU B O   
1273 C CB  . LEU B 56  ? 1.07027 0.99452 1.32114 0.04972  0.06303  0.15569  366 LEU B CB  
1274 C CG  . LEU B 56  ? 1.04770 0.99167 1.30029 0.05299  0.05974  0.18000  366 LEU B CG  
1275 C CD1 . LEU B 56  ? 0.97464 0.92345 1.25946 0.05180  0.06562  0.19236  366 LEU B CD1 
1276 C CD2 . LEU B 56  ? 0.93575 0.89516 1.14705 0.05404  0.05233  0.18955  366 LEU B CD2 
1277 N N   . SER B 57  ? 0.80905 0.73988 0.98257 0.05144  0.04851  0.13398  367 SER B N   
1278 C CA  . SER B 57  ? 0.75546 0.69850 0.89803 0.05331  0.04059  0.13437  367 SER B CA  
1279 C C   . SER B 57  ? 0.81105 0.75011 0.95890 0.05470  0.03976  0.12096  367 SER B C   
1280 O O   . SER B 57  ? 0.57484 0.50352 0.74023 0.05250  0.04478  0.10477  367 SER B O   
1281 C CB  . SER B 57  ? 0.67443 0.62265 0.78210 0.04900  0.03679  0.12336  367 SER B CB  
1282 O OG  . SER B 57  ? 0.69403 0.63554 0.79488 0.04546  0.03732  0.10095  367 SER B OG  
1283 N N   . PHE B 58  ? 0.62096 0.57058 0.75428 0.05821  0.03353  0.12695  368 PHE B N   
1284 C CA  . PHE B 58  ? 0.47386 0.42090 0.61287 0.05992  0.03272  0.11621  368 PHE B CA  
1285 C C   . PHE B 58  ? 0.49965 0.44270 0.62355 0.05515  0.03324  0.09244  368 PHE B C   
1286 O O   . PHE B 58  ? 0.53567 0.47303 0.67446 0.05441  0.03695  0.07866  368 PHE B O   
1287 C CB  . PHE B 58  ? 0.67258 0.63319 0.79718 0.06411  0.02548  0.12636  368 PHE B CB  
1288 C CG  . PHE B 58  ? 0.78651 0.74489 0.92195 0.06680  0.02499  0.11953  368 PHE B CG  
1289 C CD1 . PHE B 58  ? 0.68428 0.64265 0.80316 0.06455  0.02300  0.10155  368 PHE B CD1 
1290 C CD2 . PHE B 58  ? 0.79632 0.75399 0.96044 0.07177  0.02667  0.13267  368 PHE B CD2 
1291 C CE1 . PHE B 58  ? 0.85366 0.81133 0.98276 0.06700  0.02290  0.09562  368 PHE B CE1 
1292 C CE2 . PHE B 58  ? 0.64331 0.59926 0.81865 0.07433  0.02646  0.12611  368 PHE B CE2 
1293 C CZ  . PHE B 58  ? 0.62579 0.58180 0.78265 0.07186  0.02463  0.10705  368 PHE B CZ  
1294 N N   . HIS B 59  ? 0.44925 0.39732 0.54546 0.05174  0.02991  0.08759  369 HIS B N   
1295 C CA  . HIS B 59  ? 0.45102 0.39825 0.53443 0.04736  0.03024  0.06838  369 HIS B CA  
1296 C C   . HIS B 59  ? 0.57079 0.50984 0.67238 0.04362  0.03726  0.05556  369 HIS B C   
1297 O O   . HIS B 59  ? 0.54152 0.48109 0.64927 0.04199  0.03967  0.04022  369 HIS B O   
1298 C CB  . HIS B 59  ? 0.49667 0.45060 0.55261 0.04455  0.02595  0.06743  369 HIS B CB  
1299 C CG  . HIS B 59  ? 0.34899 0.30480 0.39335 0.04047  0.02584  0.05155  369 HIS B CG  
1300 N ND1 . HIS B 59  ? 0.36550 0.31834 0.41180 0.03584  0.02978  0.04156  369 HIS B ND1 
1301 C CD2 . HIS B 59  ? 0.35100 0.31345 0.38393 0.04035  0.02243  0.04516  369 HIS B CD2 
1302 C CE1 . HIS B 59  ? 0.41192 0.37135 0.44711 0.03312  0.02850  0.03081  369 HIS B CE1 
1303 N NE2 . HIS B 59  ? 0.36289 0.32766 0.39061 0.03583  0.02427  0.03345  369 HIS B NE2 
1304 N N   . SER B 60  ? 0.50708 0.44068 0.61874 0.04201  0.04086  0.06083  370 SER B N   
1305 C CA  . SER B 60  ? 0.58935 0.51612 0.72249 0.03824  0.04785  0.04716  370 SER B CA  
1306 C C   . SER B 60  ? 0.62064 0.54254 0.78621 0.04040  0.05285  0.04132  370 SER B C   
1307 O O   . SER B 60  ? 0.49796 0.42068 0.67485 0.03708  0.05717  0.02130  370 SER B O   
1308 C CB  . SER B 60  ? 0.59634 0.51739 0.74005 0.03678  0.05125  0.05638  370 SER B CB  
1309 O OG  . SER B 60  ? 0.80211 0.72860 0.91753 0.03546  0.04673  0.06360  370 SER B OG  
1310 N N   . THR B 61  ? 0.44783 0.36688 0.63040 0.04585  0.05257  0.05837  371 THR B N   
1311 C CA  . THR B 61  ? 0.52854 0.44308 0.74432 0.04860  0.05707  0.05430  371 THR B CA  
1312 C C   . THR B 61  ? 0.67145 0.59209 0.87730 0.04771  0.05592  0.03611  371 THR B C   
1313 O O   . THR B 61  ? 0.53959 0.45914 0.76869 0.04602  0.06178  0.01856  371 THR B O   
1314 C CB  . THR B 61  ? 0.40383 0.31855 0.63236 0.05515  0.05475  0.07871  371 THR B CB  
1315 O OG1 . THR B 61  ? 0.70632 0.62109 0.93584 0.05593  0.05449  0.09868  371 THR B OG1 
1316 C CG2 . THR B 61  ? 0.55680 0.46467 0.82924 0.05813  0.06088  0.07715  371 THR B CG2 
1317 N N   . VAL B 62  ? 0.58013 0.50886 0.75401 0.04889  0.04873  0.03998  372 VAL B N   
1318 C CA  . VAL B 62  ? 0.54820 0.48410 0.71352 0.04851  0.04755  0.02614  372 VAL B CA  
1319 C C   . VAL B 62  ? 0.54610 0.48791 0.70638 0.04243  0.05111  0.00409  372 VAL B C   
1320 O O   . VAL B 62  ? 0.50148 0.44828 0.67540 0.04114  0.05529  -0.01229 372 VAL B O   
1321 C CB  . VAL B 62  ? 0.54400 0.48758 0.67883 0.05059  0.03939  0.03506  372 VAL B CB  
1322 C CG1 . VAL B 62  ? 0.50092 0.45290 0.62683 0.04940  0.03874  0.02121  372 VAL B CG1 
1323 C CG2 . VAL B 62  ? 0.47306 0.41584 0.61529 0.05661  0.03592  0.05385  372 VAL B CG2 
1324 N N   . ILE B 63  ? 0.51969 0.46374 0.66051 0.03849  0.04950  0.00306  373 ILE B N   
1325 C CA  . ILE B 63  ? 0.56985 0.52350 0.70551 0.03270  0.05232  -0.01667 373 ILE B CA  
1326 C C   . ILE B 63  ? 0.78961 0.73969 0.95784 0.03012  0.06048  -0.03118 373 ILE B C   
1327 O O   . ILE B 63  ? 0.62437 0.58613 0.79746 0.02586  0.06424  -0.05192 373 ILE B O   
1328 C CB  . ILE B 63  ? 0.80427 0.76197 0.91346 0.02920  0.04856  -0.01371 373 ILE B CB  
1329 C CG1 . ILE B 63  ? 0.90529 0.85275 1.02471 0.02786  0.05120  -0.00820 373 ILE B CG1 
1330 C CG2 . ILE B 63  ? 0.79086 0.75092 0.87449 0.03196  0.04115  0.00029  373 ILE B CG2 
1331 C CD1 . ILE B 63  ? 1.04117 0.99271 1.17205 0.02209  0.05662  -0.02626 373 ILE B CD1 
1332 N N   . ASN B 64  ? 0.68569 0.62198 0.87906 0.03253  0.06362  -0.02079 374 ASN B N   
1333 C CA  . ASN B 64  ? 0.68563 0.61711 0.91889 0.03078  0.07216  -0.03441 374 ASN B CA  
1334 C C   . ASN B 64  ? 0.77232 0.70997 1.02482 0.03158  0.07596  -0.05025 374 ASN B C   
1335 O O   . ASN B 64  ? 0.75407 0.70135 1.02101 0.02699  0.08156  -0.07479 374 ASN B O   
1336 C CB  . ASN B 64  ? 0.72720 0.64331 0.98877 0.03452  0.07481  -0.01549 374 ASN B CB  
1337 C CG  . ASN B 64  ? 0.97743 0.88750 1.27896 0.03114  0.08367  -0.02856 374 ASN B CG  
1338 O OD1 . ASN B 64  ? 0.77203 0.69037 1.07344 0.02522  0.08683  -0.05178 374 ASN B OD1 
1339 N ND2 . ASN B 64  ? 0.91103 0.80870 1.25011 0.03483  0.08798  -0.01396 374 ASN B ND2 
1340 N N   . HIS B 65  ? 0.64315 0.57733 0.89733 0.03725  0.07318  -0.03741 375 HIS B N   
1341 C CA  . HIS B 65  ? 0.61327 0.55362 0.88543 0.03826  0.07678  -0.05190 375 HIS B CA  
1342 C C   . HIS B 65  ? 0.79910 0.75918 1.05073 0.03304  0.07702  -0.07436 375 HIS B C   
1343 O O   . HIS B 65  ? 0.85377 0.82349 1.12686 0.02927  0.08384  -0.09839 375 HIS B O   
1344 C CB  . HIS B 65  ? 0.65245 0.58932 0.91925 0.04484  0.07176  -0.03365 375 HIS B CB  
1345 C CG  . HIS B 65  ? 0.90369 0.84640 1.18915 0.04632  0.07533  -0.04695 375 HIS B CG  
1346 N ND1 . HIS B 65  ? 0.97163 0.93099 1.24801 0.04209  0.07762  -0.07012 375 HIS B ND1 
1347 C CD2 . HIS B 65  ? 1.04125 0.97712 1.35631 0.05148  0.07752  -0.04040 375 HIS B CD2 
1348 C CE1 . HIS B 65  ? 0.89363 0.85590 1.19141 0.04451  0.08109  -0.07808 375 HIS B CE1 
1349 N NE2 . HIS B 65  ? 0.89691 0.84391 1.21944 0.05025  0.08114  -0.06071 375 HIS B NE2 
1350 N N   . TYR B 66  ? 0.64012 0.60884 0.85207 0.03255  0.06988  -0.06688 376 TYR B N   
1351 C CA  . TYR B 66  ? 0.69712 0.68777 0.89004 0.02815  0.06974  -0.08366 376 TYR B CA  
1352 C C   . TYR B 66  ? 0.76324 0.76529 0.96420 0.02142  0.07495  -0.10483 376 TYR B C   
1353 O O   . TYR B 66  ? 0.83551 0.85664 1.04537 0.01774  0.07968  -0.12725 376 TYR B O   
1354 C CB  . TYR B 66  ? 0.75007 0.74645 0.90427 0.02860  0.06156  -0.06933 376 TYR B CB  
1355 C CG  . TYR B 66  ? 0.60058 0.59615 0.74536 0.03364  0.05698  -0.05713 376 TYR B CG  
1356 C CD1 . TYR B 66  ? 0.58315 0.59508 0.72497 0.03321  0.05797  -0.06695 376 TYR B CD1 
1357 C CD2 . TYR B 66  ? 0.54550 0.52679 0.68391 0.03855  0.05159  -0.03605 376 TYR B CD2 
1358 C CE1 . TYR B 66  ? 0.59408 0.60528 0.72895 0.03770  0.05391  -0.05609 376 TYR B CE1 
1359 C CE2 . TYR B 66  ? 0.52776 0.51004 0.65853 0.04282  0.04718  -0.02640 376 TYR B CE2 
1360 C CZ  . TYR B 66  ? 0.67976 0.67571 0.80933 0.04243  0.04836  -0.03636 376 TYR B CZ  
1361 O OH  . TYR B 66  ? 0.66685 0.66385 0.79038 0.04655  0.04412  -0.02706 376 TYR B OH  
1362 N N   . ARG B 67  ? 0.87412 0.86716 1.07195 0.01951  0.07417  -0.09873 377 ARG B N   
1363 C CA  . ARG B 67  ? 0.85089 0.85405 1.05840 0.01306  0.07892  -0.11850 377 ARG B CA  
1364 C C   . ARG B 67  ? 0.96067 0.96699 1.20948 0.01129  0.08799  -0.14182 377 ARG B C   
1365 O O   . ARG B 67  ? 1.00232 1.03110 1.25616 0.00572  0.09213  -0.16716 377 ARG B O   
1366 C CB  . ARG B 67  ? 0.85103 0.83822 1.05856 0.01251  0.07787  -0.10616 377 ARG B CB  
1367 C CG  . ARG B 67  ? 0.95079 0.93877 1.18734 0.00747  0.08504  -0.12500 377 ARG B CG  
1368 C CD  . ARG B 67  ? 0.90764 0.87805 1.14615 0.00770  0.08421  -0.10934 377 ARG B CD  
1369 N NE  . ARG B 67  ? 0.84714 0.82097 1.04571 0.00702  0.07680  -0.09560 377 ARG B NE  
1370 C CZ  . ARG B 67  ? 0.82146 0.78065 1.00663 0.01064  0.07238  -0.07171 377 ARG B CZ  
1371 N NH1 . ARG B 67  ? 0.55876 0.50080 0.76418 0.01543  0.07395  -0.05613 377 ARG B NH1 
1372 N NH2 . ARG B 67  ? 0.85159 0.81580 1.00381 0.00939  0.06642  -0.06305 377 ARG B NH2 
1373 N N   . MET B 68  ? 0.91969 0.90574 1.20065 0.01595  0.09137  -0.13363 378 MET B N   
1374 C CA  . MET B 68  ? 0.95161 0.93798 1.27941 0.01475  0.10075  -0.15507 378 MET B CA  
1375 C C   . MET B 68  ? 1.08852 1.09717 1.41359 0.01226  0.10161  -0.17302 378 MET B C   
1376 O O   . MET B 68  ? 0.98530 1.00860 1.33158 0.00489  0.10513  -0.19393 378 MET B O   
1377 C CB  . MET B 68  ? 0.93956 0.90242 1.29753 0.01936  0.10134  -0.13393 378 MET B CB  
1378 C CG  . MET B 68  ? 1.10854 1.05982 1.49285 0.01606  0.10426  -0.12817 378 MET B CG  
1379 S SD  . MET B 68  ? 1.24518 1.17526 1.65971 0.02170  0.10417  -0.09626 378 MET B SD  
1380 C CE  . MET B 68  ? 0.76426 0.68756 1.20006 0.01733  0.10771  -0.09119 378 MET B CE  
1381 N N   . ARG B 69  ? 1.00478 1.01869 1.30250 0.01678  0.09711  -0.16325 379 ARG B N   
1382 C CA  . ARG B 69  ? 0.84226 0.87949 1.13763 0.01514  0.09923  -0.18110 379 ARG B CA  
1383 C C   . ARG B 69  ? 1.04869 1.11827 1.32086 0.00757  0.09884  -0.20005 379 ARG B C   
1384 O O   . ARG B 69  ? 1.05069 1.14388 1.30783 0.00609  0.09799  -0.20766 379 ARG B O   
1385 C CB  . ARG B 69  ? 0.84204 0.87660 1.11440 0.02096  0.09315  -0.16167 379 ARG B CB  
1386 C CG  . ARG B 69  ? 1.02915 1.03609 1.31571 0.02831  0.09079  -0.13785 379 ARG B CG  
1387 C CD  . ARG B 69  ? 1.12931 1.12749 1.46267 0.02918  0.09770  -0.14687 379 ARG B CD  
1388 N NE  . ARG B 69  ? 1.17046 1.14403 1.52525 0.03245  0.09703  -0.12599 379 ARG B NE  
1389 C CZ  . ARG B 69  ? 1.17818 1.14503 1.55578 0.02784  0.10021  -0.12832 379 ARG B CZ  
1390 N NH1 . ARG B 69  ? 1.11742 1.09874 1.49999 0.01968  0.10390  -0.15194 379 ARG B NH1 
1391 N NH2 . ARG B 69  ? 1.15587 1.10410 1.55215 0.03114  0.09944  -0.10548 379 ARG B NH2 
1392 N N   . GLY B 70  ? 1.04079 1.11361 1.31003 0.00259  0.09898  -0.20599 380 GLY B N   
1393 C CA  . GLY B 70  ? 1.08985 1.19525 1.33757 -0.00498 0.09743  -0.22117 380 GLY B CA  
1394 C C   . GLY B 70  ? 1.15020 1.27668 1.35997 -0.00307 0.09327  -0.21295 380 GLY B C   
1395 O O   . GLY B 70  ? 1.26343 1.42308 1.45983 -0.00877 0.09197  -0.22473 380 GLY B O   
1396 N N   . HIS B 71  ? 1.22088 1.32703 1.40897 0.00236  0.08605  -0.18382 381 HIS B N   
1397 C CA  . HIS B 71  ? 1.28991 1.41106 1.44452 0.00360  0.07977  -0.16926 381 HIS B CA  
1398 C C   . HIS B 71  ? 1.20893 1.33458 1.33554 0.00122  0.07378  -0.15618 381 HIS B C   
1399 O O   . HIS B 71  ? 1.10614 1.20711 1.23017 0.00304  0.07073  -0.14183 381 HIS B O   
1400 C CB  . HIS B 71  ? 1.12123 1.22008 1.27280 0.01083  0.07583  -0.14794 381 HIS B CB  
1401 C CG  . HIS B 71  ? 1.42459 1.53692 1.58429 0.01252  0.07879  -0.15631 381 HIS B CG  
1402 N ND1 . HIS B 71  ? 1.31769 1.42307 1.51080 0.01400  0.08546  -0.17086 381 HIS B ND1 
1403 C CD2 . HIS B 71  ? 1.42703 1.56054 1.56816 0.01283  0.07649  -0.15220 381 HIS B CD2 
1404 C CE1 . HIS B 71  ? 1.09965 1.22097 1.29258 0.01518  0.08697  -0.17610 381 HIS B CE1 
1405 N NE2 . HIS B 71  ? 1.38196 1.52081 1.54306 0.01448  0.08161  -0.16457 381 HIS B NE2 
1406 N N   . SER B 72  ? 1.40492 1.56393 1.51154 -0.00265 0.07217  -0.15979 382 SER B N   
1407 C CA  . SER B 72  ? 1.49954 1.67180 1.58519 -0.00642 0.06802  -0.15310 382 SER B CA  
1408 C C   . SER B 72  ? 1.50322 1.64652 1.57659 -0.00328 0.06206  -0.12963 382 SER B C   
1409 O O   . SER B 72  ? 1.32733 1.46884 1.39801 -0.00647 0.06138  -0.13079 382 SER B O   
1410 C CB  . SER B 72  ? 1.63635 1.84457 1.70052 -0.00824 0.06525  -0.14774 382 SER B CB  
1411 O OG  . SER B 72  ? 1.55128 1.78892 1.62474 -0.01066 0.07066  -0.16778 382 SER B OG  
1412 N N   . PRO B 73  ? 1.42456 1.54760 1.49022 0.00246  0.05768  -0.10928 383 PRO B N   
1413 C CA  . PRO B 73  ? 1.09936 1.20077 1.15255 0.00466  0.05218  -0.08942 383 PRO B CA  
1414 C C   . PRO B 73  ? 1.04472 1.12650 1.10997 0.00348  0.05438  -0.09342 383 PRO B C   
1415 O O   . PRO B 73  ? 1.10303 1.18692 1.15901 0.00045  0.05256  -0.09074 383 PRO B O   
1416 C CB  . PRO B 73  ? 0.81400 0.89661 0.86593 0.01102  0.04897  -0.07381 383 PRO B CB  
1417 C CG  . PRO B 73  ? 1.08795 1.17348 1.15789 0.01256  0.05381  -0.08631 383 PRO B CG  
1418 C CD  . PRO B 73  ? 1.22741 1.34519 1.29889 0.00713  0.05807  -0.10566 383 PRO B CD  
1419 N N   . PHE B 74  ? 0.81269 0.87716 0.90130 0.00561  0.05877  -0.09981 384 PHE B N   
1420 C CA  . PHE B 74  ? 0.86426 0.90819 0.96806 0.00532  0.06112  -0.09947 384 PHE B CA  
1421 C C   . PHE B 74  ? 1.02157 1.07292 1.15182 0.00079  0.06857  -0.12343 384 PHE B C   
1422 O O   . PHE B 74  ? 0.82333 0.85940 0.96978 -0.00012 0.07128  -0.12419 384 PHE B O   
1423 C CB  . PHE B 74  ? 0.73497 0.75237 0.84955 0.01159  0.06032  -0.08385 384 PHE B CB  
1424 C CG  . PHE B 74  ? 0.81912 0.83342 0.91316 0.01607  0.05389  -0.06581 384 PHE B CG  
1425 C CD1 . PHE B 74  ? 0.85821 0.88378 0.94942 0.01785  0.05330  -0.06827 384 PHE B CD1 
1426 C CD2 . PHE B 74  ? 0.89992 0.90247 0.97798 0.01802  0.04863  -0.04779 384 PHE B CD2 
1427 C CE1 . PHE B 74  ? 0.82671 0.84990 0.90168 0.02167  0.04753  -0.05265 384 PHE B CE1 
1428 C CE2 . PHE B 74  ? 0.83407 0.83566 0.89606 0.02162  0.04297  -0.03397 384 PHE B CE2 
1429 C CZ  . PHE B 74  ? 0.67916 0.69042 0.74037 0.02347  0.04237  -0.03626 384 PHE B CZ  
1430 N N   . ALA B 75  ? 1.00242 1.07851 1.13924 -0.00231 0.07232  -0.14372 385 ALA B N   
1431 C CA  . ALA B 75  ? 1.01518 1.10227 1.17905 -0.00743 0.07972  -0.17045 385 ALA B CA  
1432 C C   . ALA B 75  ? 0.92733 1.01825 1.08679 -0.01241 0.07926  -0.17442 385 ALA B C   
1433 O O   . ALA B 75  ? 0.86731 0.94867 1.05410 -0.01468 0.08457  -0.18648 385 ALA B O   
1434 C CB  . ALA B 75  ? 1.19756 1.31967 1.36209 -0.01110 0.08295  -0.19262 385 ALA B CB  
1435 N N   . ASN B 76  ? 0.97416 1.07862 1.10224 -0.01406 0.07314  -0.16362 386 ASN B N   
1436 C CA  . ASN B 76  ? 0.77438 0.88687 0.89658 -0.01908 0.07228  -0.16776 386 ASN B CA  
1437 C C   . ASN B 76  ? 0.77403 0.86283 0.88047 -0.01637 0.06701  -0.14335 386 ASN B C   
1438 O O   . ASN B 76  ? 0.92859 1.02538 1.02444 -0.02006 0.06493  -0.14269 386 ASN B O   
1439 C CB  . ASN B 76  ? 0.96197 1.11491 1.06444 -0.02411 0.07006  -0.17666 386 ASN B CB  
1440 C CG  . ASN B 76  ? 1.11127 1.29461 1.23066 -0.02860 0.07615  -0.20610 386 ASN B CG  
1441 O OD1 . ASN B 76  ? 1.12147 1.30357 1.26881 -0.03196 0.08239  -0.22815 386 ASN B OD1 
1442 N ND2 . ASN B 76  ? 1.10555 1.31783 1.21042 -0.02882 0.07484  -0.20726 386 ASN B ND2 
1443 N N   . LEU B 77  ? 0.77653 0.83890 0.88160 -0.01024 0.06484  -0.12406 387 LEU B N   
1444 C CA  . LEU B 77  ? 0.75322 0.79495 0.84579 -0.00783 0.06063  -0.10308 387 LEU B CA  
1445 C C   . LEU B 77  ? 0.81252 0.83326 0.92984 -0.00796 0.06534  -0.10457 387 LEU B C   
1446 O O   . LEU B 77  ? 0.86698 0.87225 1.00700 -0.00457 0.06902  -0.10338 387 LEU B O   
1447 C CB  . LEU B 77  ? 0.67313 0.70169 0.75225 -0.00160 0.05588  -0.08267 387 LEU B CB  
1448 C CG  . LEU B 77  ? 0.80121 0.81686 0.86154 0.00068  0.05040  -0.06204 387 LEU B CG  
1449 C CD1 . LEU B 77  ? 0.81525 0.84625 0.85729 -0.00342 0.04713  -0.06145 387 LEU B CD1 
1450 C CD2 . LEU B 77  ? 0.80291 0.81272 0.85253 0.00611  0.04608  -0.04762 387 LEU B CD2 
1451 N N   . LYS B 78  ? 0.85002 0.87106 0.96530 -0.01180 0.06544  -0.10605 388 LYS B N   
1452 C CA  . LYS B 78  ? 0.66451 0.66616 0.80359 -0.01205 0.06996  -0.10489 388 LYS B CA  
1453 C C   . LYS B 78  ? 0.75318 0.73092 0.89028 -0.00591 0.06792  -0.08032 388 LYS B C   
1454 O O   . LYS B 78  ? 0.71629 0.69242 0.82696 -0.00312 0.06186  -0.06398 388 LYS B O   
1455 C CB  . LYS B 78  ? 0.71703 0.72439 0.85038 -0.01717 0.06959  -0.10883 388 LYS B CB  
1456 C CG  . LYS B 78  ? 0.98592 0.99253 1.08722 -0.01614 0.06267  -0.09016 388 LYS B CG  
1457 C CD  . LYS B 78  ? 1.29650 1.30863 1.39506 -0.02123 0.06272  -0.09442 388 LYS B CD  
1458 C CE  . LYS B 78  ? 1.21956 1.25060 1.28993 -0.02328 0.05662  -0.09015 388 LYS B CE  
1459 N NZ  . LYS B 78  ? 1.13497 1.19685 1.20424 -0.02821 0.05686  -0.10873 388 LYS B NZ  
1460 N N   . SER B 79  ? 0.71377 0.67521 0.88153 -0.00388 0.07327  -0.07790 389 SER B N   
1461 C CA  . SER B 79  ? 0.64323 0.58591 0.81285 0.00138  0.07209  -0.05372 389 SER B CA  
1462 C C   . SER B 79  ? 0.53767 0.47254 0.71194 -0.00099 0.07384  -0.04725 389 SER B C   
1463 O O   . SER B 79  ? 0.53559 0.47060 0.73451 -0.00517 0.07951  -0.06158 389 SER B O   
1464 C CB  . SER B 79  ? 0.55834 0.48973 0.76167 0.00541  0.07699  -0.05075 389 SER B CB  
1465 O OG  . SER B 79  ? 0.66446 0.58281 0.86771 0.01059  0.07522  -0.02509 389 SER B OG  
1466 N N   . CYS B 80  ? 0.48993 0.41984 0.64145 0.00131  0.06921  -0.02741 390 CYS B N   
1467 C CA  . CYS B 80  ? 0.40050 0.32509 0.55252 -0.00102 0.07053  -0.02052 390 CYS B CA  
1468 C C   . CYS B 80  ? 0.40719 0.32030 0.56438 0.00365  0.07085  0.00392  390 CYS B C   
1469 O O   . CYS B 80  ? 0.47680 0.38984 0.62161 0.00852  0.06692  0.01780  390 CYS B O   
1470 C CB  . CYS B 80  ? 0.58972 0.52405 0.70866 -0.00387 0.06505  -0.02113 390 CYS B CB  
1471 S SG  . CYS B 80  ? 0.64528 0.59951 0.75548 -0.00948 0.06390  -0.04540 390 CYS B SG  
1472 N N   . CYS B 81  ? 0.40306 0.30926 0.57820 0.00184  0.07543  0.00917  391 CYS B N   
1473 C CA  . CYS B 81  ? 0.48450 0.38383 0.66645 0.00549  0.07662  0.03372  391 CYS B CA  
1474 C C   . CYS B 81  ? 0.40087 0.30636 0.54756 0.00528  0.07121  0.04423  391 CYS B C   
1475 O O   . CYS B 81  ? 0.39610 0.30342 0.53465 0.00093  0.07155  0.03765  391 CYS B O   
1476 C CB  . CYS B 81  ? 0.58327 0.47384 0.80291 0.00334  0.08458  0.03486  391 CYS B CB  
1477 S SG  . CYS B 81  ? 0.46961 0.35509 0.70528 0.00793  0.08749  0.06848  391 CYS B SG  
1478 N N   . VAL B 82  ? 0.37058 0.28040 0.49884 0.00988  0.06652  0.05989  392 VAL B N   
1479 C CA  . VAL B 82  ? 0.36974 0.28806 0.46464 0.00981  0.06098  0.06590  392 VAL B CA  
1480 C C   . VAL B 82  ? 0.39867 0.32236 0.48866 0.01472  0.05921  0.08813  392 VAL B C   
1481 O O   . VAL B 82  ? 0.47678 0.39823 0.58587 0.01869  0.06093  0.09876  392 VAL B O   
1482 C CB  . VAL B 82  ? 0.39591 0.32089 0.46665 0.00923  0.05512  0.05316  392 VAL B CB  
1483 C CG1 . VAL B 82  ? 0.34982 0.27530 0.42461 0.00432  0.05660  0.03264  392 VAL B CG1 
1484 C CG2 . VAL B 82  ? 0.37479 0.30086 0.44688 0.01390  0.05266  0.05667  392 VAL B CG2 
1485 N N   . PRO B 83  ? 0.46444 0.39769 0.53057 0.01457  0.05585  0.09529  393 PRO B N   
1486 C CA  . PRO B 83  ? 0.44757 0.39187 0.50787 0.01880  0.05407  0.11545  393 PRO B CA  
1487 C C   . PRO B 83  ? 0.51167 0.46154 0.56396 0.02298  0.04905  0.11663  393 PRO B C   
1488 O O   . PRO B 83  ? 0.44248 0.39270 0.47965 0.02222  0.04491  0.10262  393 PRO B O   
1489 C CB  . PRO B 83  ? 0.47204 0.42742 0.50777 0.01652  0.05177  0.11596  393 PRO B CB  
1490 C CG  . PRO B 83  ? 0.48176 0.42832 0.51822 0.01121  0.05409  0.10099  393 PRO B CG  
1491 C CD  . PRO B 83  ? 0.40739 0.34382 0.45419 0.01025  0.05421  0.08541  393 PRO B CD  
1492 N N   . THR B 84  ? 0.49894 0.45413 0.56386 0.02752  0.04961  0.13487  394 THR B N   
1493 C CA  . THR B 84  ? 0.52793 0.49129 0.58551 0.03182  0.04459  0.13879  394 THR B CA  
1494 C C   . THR B 84  ? 0.68280 0.66786 0.72228 0.03422  0.04051  0.15343  394 THR B C   
1495 O O   . THR B 84  ? 0.58164 0.57684 0.60863 0.03683  0.03512  0.15250  394 THR B O   
1496 C CB  . THR B 84  ? 0.47504 0.43067 0.56290 0.03558  0.04768  0.14743  394 THR B CB  
1497 O OG1 . THR B 84  ? 0.51746 0.47656 0.62706 0.03750  0.05220  0.16968  394 THR B OG1 
1498 C CG2 . THR B 84  ? 0.46916 0.40705 0.57509 0.03275  0.05179  0.12844  394 THR B CG2 
1499 N N   . LYS B 85  ? 0.49495 0.48948 0.53316 0.03313  0.04308  0.16586  395 LYS B N   
1500 C CA  . LYS B 85  ? 0.53882 0.55897 0.55756 0.03430  0.03968  0.17680  395 LYS B CA  
1501 C C   . LYS B 85  ? 0.56943 0.59449 0.57844 0.03019  0.04245  0.17542  395 LYS B C   
1502 O O   . LYS B 85  ? 0.45694 0.47151 0.48321 0.02847  0.04819  0.18099  395 LYS B O   
1503 C CB  . LYS B 85  ? 0.48857 0.52548 0.52196 0.03787  0.03886  0.19482  395 LYS B CB  
1504 C CG  . LYS B 85  ? 0.69862 0.76618 0.71046 0.03863  0.03324  0.19762  395 LYS B CG  
1505 C CD  . LYS B 85  ? 0.92548 1.01504 0.95100 0.04087  0.03336  0.21565  395 LYS B CD  
1506 C CE  . LYS B 85  ? 0.82643 0.90538 0.88130 0.04431  0.03531  0.22582  395 LYS B CE  
1507 N NZ  . LYS B 85  ? 1.16776 1.27305 1.22611 0.04766  0.03162  0.23878  395 LYS B NZ  
1508 N N   . LEU B 86  ? 0.54394 0.58524 0.52803 0.02845  0.03862  0.16660  396 LEU B N   
1509 C CA  . LEU B 86  ? 0.52802 0.57904 0.50174 0.02488  0.04101  0.16585  396 LEU B CA  
1510 C C   . LEU B 86  ? 0.60813 0.69133 0.56768 0.02584  0.03735  0.17106  396 LEU B C   
1511 O O   . LEU B 86  ? 0.66280 0.75959 0.61558 0.02846  0.03227  0.16999  396 LEU B O   
1512 C CB  . LEU B 86  ? 0.51280 0.55305 0.47434 0.02050  0.03979  0.14232  396 LEU B CB  
1513 C CG  . LEU B 86  ? 0.48424 0.49762 0.45898 0.01780  0.04297  0.13215  396 LEU B CG  
1514 C CD1 . LEU B 86  ? 0.48374 0.48561 0.45731 0.01842  0.03917  0.11767  396 LEU B CD1 
1515 C CD2 . LEU B 86  ? 0.50116 0.51248 0.46859 0.01298  0.04498  0.12193  396 LEU B CD2 
1516 N N   . ARG B 87  ? 0.57776 0.67411 0.53452 0.02341  0.03978  0.17444  397 ARG B N   
1517 C CA  . ARG B 87  ? 0.45982 0.58942 0.40595 0.02381  0.03668  0.17728  397 ARG B CA  
1518 C C   . ARG B 87  ? 0.52161 0.66247 0.45149 0.01953  0.03792  0.16487  397 ARG B C   
1519 O O   . ARG B 87  ? 0.52309 0.64685 0.45451 0.01647  0.04230  0.16056  397 ARG B O   
1520 C CB  . ARG B 87  ? 0.56713 0.70956 0.53081 0.02606  0.03854  0.19772  397 ARG B CB  
1521 C CG  . ARG B 87  ? 0.89377 1.06859 0.84933 0.02478  0.03846  0.20185  397 ARG B CG  
1522 C CD  . ARG B 87  ? 0.86780 1.06116 0.84200 0.02802  0.03936  0.22437  397 ARG B CD  
1523 N NE  . ARG B 87  ? 0.97519 1.14857 0.97321 0.02838  0.04507  0.23692  397 ARG B NE  
1524 C CZ  . ARG B 87  ? 0.99452 1.17733 1.00041 0.02730  0.04896  0.24680  397 ARG B CZ  
1525 N NH1 . ARG B 87  ? 0.98102 1.19367 0.97206 0.02576  0.04790  0.24622  397 ARG B NH1 
1526 N NH2 . ARG B 87  ? 0.66967 0.83242 0.70057 0.02769  0.05425  0.25647  397 ARG B NH2 
1527 N N   . PRO B 88  ? 0.59504 0.76500 0.51089 0.01900  0.03434  0.15713  398 PRO B N   
1528 C CA  . PRO B 88  ? 0.45719 0.64085 0.36077 0.01485  0.03595  0.14383  398 PRO B CA  
1529 C C   . PRO B 88  ? 0.52636 0.72579 0.43436 0.01371  0.03936  0.15516  398 PRO B C   
1530 O O   . PRO B 88  ? 0.52894 0.73457 0.44937 0.01639  0.03992  0.17399  398 PRO B O   
1531 C CB  . PRO B 88  ? 0.48300 0.69380 0.37456 0.01493  0.03074  0.12971  398 PRO B CB  
1532 C CG  . PRO B 88  ? 0.63109 0.85253 0.52902 0.01923  0.02683  0.14305  398 PRO B CG  
1533 C CD  . PRO B 88  ? 0.51926 0.70774 0.43012 0.02174  0.02851  0.15471  398 PRO B CD  
1534 N N   . MET B 89  ? 0.46347 0.66999 0.36295 0.00971  0.04196  0.14330  399 MET B N   
1535 C CA  . MET B 89  ? 0.42287 0.65007 0.32303 0.00812  0.04478  0.14989  399 MET B CA  
1536 C C   . MET B 89  ? 0.61493 0.86780 0.50190 0.00475  0.04396  0.13032  399 MET B C   
1537 O O   . MET B 89  ? 0.56601 0.81179 0.44633 0.00260  0.04337  0.11060  399 MET B O   
1538 C CB  . MET B 89  ? 0.43447 0.64010 0.34334 0.00599  0.05094  0.15667  399 MET B CB  
1539 C CG  . MET B 89  ? 0.55140 0.76826 0.47279 0.00751  0.05344  0.17760  399 MET B CG  
1540 S SD  . MET B 89  ? 0.64069 0.82875 0.57747 0.00526  0.06069  0.18568  399 MET B SD  
1541 C CE  . MET B 89  ? 0.62006 0.81078 0.54092 -0.00041 0.06352  0.16456  399 MET B CE  
1542 N N   . SER B 90  ? 0.48254 0.76679 0.36851 0.00428  0.04424  0.13574  400 SER B N   
1543 C CA  . SER B 90  ? 0.57931 0.88933 0.45643 0.00058  0.04452  0.11705  400 SER B CA  
1544 C C   . SER B 90  ? 0.56125 0.85721 0.43907 -0.00300 0.05056  0.11335  400 SER B C   
1545 O O   . SER B 90  ? 0.51395 0.79748 0.39929 -0.00243 0.05428  0.13073  400 SER B O   
1546 C CB  . SER B 90  ? 0.60951 0.96329 0.48579 0.00139  0.04213  0.12397  400 SER B CB  
1547 O OG  . SER B 90  ? 0.70984 1.09182 0.57914 -0.00199 0.04068  0.10077  400 SER B OG  
1548 N N   . MET B 91  ? 0.53790 0.83629 0.41063 -0.00674 0.05174  0.09001  401 MET B N   
1549 C CA  . MET B 91  ? 0.48634 0.77067 0.36068 -0.01039 0.05756  0.08350  401 MET B CA  
1550 C C   . MET B 91  ? 0.49415 0.80547 0.36537 -0.01413 0.05825  0.06141  401 MET B C   
1551 O O   . MET B 91  ? 0.52904 0.86097 0.39849 -0.01445 0.05424  0.04526  401 MET B O   
1552 C CB  . MET B 91  ? 0.54014 0.78881 0.41743 -0.01126 0.05933  0.07649  401 MET B CB  
1553 C CG  . MET B 91  ? 0.75997 0.97953 0.64354 -0.00837 0.05951  0.09604  401 MET B CG  
1554 S SD  . MET B 91  ? 0.97586 1.16652 0.86910 -0.01098 0.06648  0.10471  401 MET B SD  
1555 C CE  . MET B 91  ? 0.57676 0.75803 0.46792 -0.01523 0.06859  0.08019  401 MET B CE  
1556 N N   . LEU B 92  ? 0.47064 0.78160 0.34366 -0.01714 0.06352  0.05972  402 LEU B N   
1557 C CA  . LEU B 92  ? 0.57874 0.91036 0.45242 -0.02118 0.06530  0.03700  402 LEU B CA  
1558 C C   . LEU B 92  ? 0.54740 0.85340 0.42699 -0.02429 0.07106  0.02799  402 LEU B C   
1559 O O   . LEU B 92  ? 0.61042 0.90132 0.49173 -0.02471 0.07550  0.04253  402 LEU B O   
1560 C CB  . LEU B 92  ? 0.60326 0.96943 0.47427 -0.02201 0.06602  0.04336  402 LEU B CB  
1561 C CG  . LEU B 92  ? 0.56759 0.96976 0.43496 -0.02008 0.06008  0.04562  402 LEU B CG  
1562 C CD1 . LEU B 92  ? 0.74965 1.15890 0.61634 -0.01645 0.05946  0.07562  402 LEU B CD1 
1563 C CD2 . LEU B 92  ? 0.63494 1.07602 0.50278 -0.02388 0.05999  0.02600  402 LEU B CD2 
1564 N N   . TYR B 93  ? 0.57627 0.87915 0.46196 -0.02662 0.07111  0.00379  403 TYR B N   
1565 C CA  . TYR B 93  ? 0.50310 0.78167 0.39780 -0.02938 0.07598  -0.00557 403 TYR B CA  
1566 C C   . TYR B 93  ? 0.61022 0.90235 0.51659 -0.03287 0.07710  -0.03447 403 TYR B C   
1567 O O   . TYR B 93  ? 0.52620 0.84261 0.43438 -0.03310 0.07335  -0.04905 403 TYR B O   
1568 C CB  . TYR B 93  ? 0.48956 0.73879 0.38605 -0.02776 0.07474  -0.00096 403 TYR B CB  
1569 C CG  . TYR B 93  ? 0.48834 0.74288 0.38526 -0.02588 0.06940  -0.01277 403 TYR B CG  
1570 C CD1 . TYR B 93  ? 0.55893 0.81220 0.46993 -0.02777 0.06884  -0.03755 403 TYR B CD1 
1571 C CD2 . TYR B 93  ? 0.40376 0.66130 0.29178 -0.02187 0.06427  0.00131  403 TYR B CD2 
1572 C CE1 . TYR B 93  ? 0.50690 0.76291 0.42184 -0.02592 0.06371  -0.04811 403 TYR B CE1 
1573 C CE2 . TYR B 93  ? 0.62350 0.88591 0.51239 -0.02018 0.05942  -0.00937 403 TYR B CE2 
1574 C CZ  . TYR B 93  ? 0.62128 0.88368 0.52280 -0.02233 0.05949  -0.03439 403 TYR B CZ  
1575 O OH  . TYR B 93  ? 0.76292 1.02834 0.66874 -0.02055 0.05442  -0.04481 403 TYR B OH  
1576 N N   . TYR B 94  ? 0.68726 0.96381 0.60504 -0.03585 0.08227  -0.04316 404 TYR B N   
1577 C CA  . TYR B 94  ? 0.66073 0.94555 0.59630 -0.03906 0.08386  -0.07042 404 TYR B CA  
1578 C C   . TYR B 94  ? 0.71800 0.98705 0.66768 -0.03850 0.08220  -0.08396 404 TYR B C   
1579 O O   . TYR B 94  ? 0.73921 0.97619 0.68977 -0.03621 0.07892  -0.07069 404 TYR B O   
1580 C CB  . TYR B 94  ? 0.70141 0.97774 0.64717 -0.04238 0.09025  -0.07370 404 TYR B CB  
1581 C CG  . TYR B 94  ? 0.56119 0.85806 0.49823 -0.04355 0.09249  -0.06695 404 TYR B CG  
1582 C CD1 . TYR B 94  ? 0.57961 0.90773 0.51974 -0.04547 0.09127  -0.08322 404 TYR B CD1 
1583 C CD2 . TYR B 94  ? 0.60313 0.88892 0.53157 -0.04320 0.09608  -0.04500 404 TYR B CD2 
1584 C CE1 . TYR B 94  ? 0.68908 1.03851 0.62142 -0.04671 0.09354  -0.07672 404 TYR B CE1 
1585 C CE2 . TYR B 94  ? 0.59282 0.89747 0.51522 -0.04407 0.09863  -0.03795 404 TYR B CE2 
1586 C CZ  . TYR B 94  ? 0.65868 0.99573 0.58195 -0.04573 0.09737  -0.05343 404 TYR B CZ  
1587 O OH  . TYR B 94  ? 0.60573 0.96401 0.52281 -0.04675 0.09998  -0.04586 404 TYR B OH  
1588 N N   . ASP B 95  ? 0.95667 1.24044 0.92264 -0.03986 0.08042  -0.10781 405 ASP B N   
1589 C CA  . ASP B 95  ? 0.91340 1.18394 0.90015 -0.03935 0.07931  -0.12295 405 ASP B CA  
1590 C C   . ASP B 95  ? 1.04582 1.29152 1.05852 -0.04115 0.08167  -0.12892 405 ASP B C   
1591 O O   . ASP B 95  ? 0.95533 1.20000 0.96877 -0.04343 0.08641  -0.12630 405 ASP B O   
1592 C CB  . ASP B 95  ? 0.86386 1.15809 0.86407 -0.04052 0.07536  -0.14520 405 ASP B CB  
1593 C CG  . ASP B 95  ? 1.09610 1.39486 1.08663 -0.03736 0.06964  -0.14158 405 ASP B CG  
1594 O OD1 . ASP B 95  ? 1.12692 1.40965 1.09947 -0.03404 0.06871  -0.12117 405 ASP B OD1 
1595 O OD2 . ASP B 95  ? 1.09826 1.41688 1.10095 -0.03857 0.06608  -0.15943 405 ASP B OD2 
1596 N N   . ASP B 96  ? 1.28740 1.51466 1.32353 -0.04005 0.07837  -0.13630 406 ASP B N   
1597 C CA  . ASP B 96  ? 1.29569 1.50766 1.36364 -0.04189 0.08088  -0.14547 406 ASP B CA  
1598 C C   . ASP B 96  ? 1.07517 1.31465 1.16121 -0.04587 0.08764  -0.17051 406 ASP B C   
1599 O O   . ASP B 96  ? 1.17047 1.40281 1.27413 -0.04806 0.09183  -0.17391 406 ASP B O   
1600 C CB  . ASP B 96  ? 1.30100 1.49440 1.39395 -0.03988 0.07650  -0.14832 406 ASP B CB  
1601 C CG  . ASP B 96  ? 1.34134 1.51677 1.41407 -0.03600 0.06992  -0.12835 406 ASP B CG  
1602 O OD1 . ASP B 96  ? 1.34831 1.53585 1.41279 -0.03436 0.06697  -0.13272 406 ASP B OD1 
1603 O OD2 . ASP B 96  ? 1.30758 1.45830 1.37353 -0.03477 0.06781  -0.10928 406 ASP B OD2 
1604 N N   . GLY B 97  ? 0.98363 1.25031 1.06450 -0.04715 0.08495  -0.18411 407 GLY B N   
1605 C CA  . GLY B 97  ? 1.06900 1.35805 1.16203 -0.05175 0.08569  -0.20238 407 GLY B CA  
1606 C C   . GLY B 97  ? 1.15285 1.45885 1.22064 -0.05327 0.08792  -0.19338 407 GLY B C   
1607 O O   . GLY B 97  ? 1.14557 1.47628 1.21926 -0.05716 0.08817  -0.20804 407 GLY B O   
1608 N N   . GLN B 98  ? 0.97398 1.26783 1.01619 -0.05066 0.08970  -0.16938 408 GLN B N   
1609 C CA  . GLN B 98  ? 0.90590 1.21533 0.92322 -0.05126 0.09127  -0.15587 408 GLN B CA  
1610 C C   . GLN B 98  ? 0.85318 1.19750 0.85750 -0.05166 0.08653  -0.16063 408 GLN B C   
1611 O O   . GLN B 98  ? 0.87327 1.24455 0.87689 -0.05467 0.08716  -0.16886 408 GLN B O   
1612 C CB  . GLN B 98  ? 0.66893 0.97775 0.69927 -0.05473 0.09678  -0.16258 408 GLN B CB  
1613 C CG  . GLN B 98  ? 0.92100 1.24780 0.93111 -0.05583 0.09935  -0.15109 408 GLN B CG  
1614 C CD  . GLN B 98  ? 1.16766 1.53354 1.17239 -0.05816 0.09697  -0.16252 408 GLN B CD  
1615 O OE1 . GLN B 98  ? 1.03813 1.42360 1.02298 -0.05630 0.09305  -0.15217 408 GLN B OE1 
1616 N NE2 . GLN B 98  ? 1.11288 1.49186 1.13709 -0.06256 0.09937  -0.18353 408 GLN B NE2 
1617 N N   . ASN B 99  ? 0.80582 1.15140 0.80219 -0.04880 0.08152  -0.15656 409 ASN B N   
1618 C CA  . ASN B 99  ? 0.82290 1.20144 0.80727 -0.04862 0.07636  -0.15796 409 ASN B CA  
1619 C C   . ASN B 99  ? 0.79313 1.16798 0.74926 -0.04420 0.07428  -0.12872 409 ASN B C   
1620 O O   . ASN B 99  ? 0.75310 1.10054 0.70384 -0.04097 0.07388  -0.11550 409 ASN B O   
1621 C CB  . ASN B 99  ? 0.77575 1.16075 0.77718 -0.04893 0.07183  -0.17695 409 ASN B CB  
1622 C CG  . ASN B 99  ? 0.96352 1.36237 0.99632 -0.05418 0.07284  -0.20695 409 ASN B CG  
1623 O OD1 . ASN B 99  ? 1.03304 1.41050 1.09245 -0.05497 0.07425  -0.21960 409 ASN B OD1 
1624 N ND2 . ASN B 99  ? 0.88062 1.31652 0.91327 -0.05801 0.07215  -0.21804 409 ASN B ND2 
1625 N N   . ILE B 100 ? 0.71074 1.11377 0.65154 -0.04420 0.07302  -0.11824 410 ILE B N   
1626 C CA  . ILE B 100 ? 0.58663 0.98706 0.50594 -0.03993 0.07093  -0.08915 410 ILE B CA  
1627 C C   . ILE B 100 ? 0.49293 0.90204 0.40895 -0.03727 0.06452  -0.08909 410 ILE B C   
1628 O O   . ILE B 100 ? 0.59384 1.03485 0.51568 -0.03904 0.06091  -0.10504 410 ILE B O   
1629 C CB  . ILE B 100 ? 0.54564 0.97432 0.45370 -0.04052 0.07191  -0.07632 410 ILE B CB  
1630 C CG1 . ILE B 100 ? 0.46761 0.88860 0.38146 -0.04360 0.07850  -0.08039 410 ILE B CG1 
1631 C CG2 . ILE B 100 ? 0.52383 0.94523 0.41599 -0.03595 0.07039  -0.04444 410 ILE B CG2 
1632 C CD1 . ILE B 100 ? 0.47626 0.92240 0.38032 -0.04426 0.08056  -0.06697 410 ILE B CD1 
1633 N N   . ILE B 101 ? 0.51145 0.89306 0.41988 -0.03333 0.06317  -0.07222 411 ILE B N   
1634 C CA  . ILE B 101 ? 0.62139 1.00651 0.52592 -0.03021 0.05734  -0.06912 411 ILE B CA  
1635 C C   . ILE B 101 ? 0.54614 0.93041 0.43463 -0.02611 0.05542  -0.03867 411 ILE B C   
1636 O O   . ILE B 101 ? 0.54114 0.90296 0.42443 -0.02491 0.05891  -0.01954 411 ILE B O   
1637 C CB  . ILE B 101 ? 0.61494 0.96841 0.52779 -0.02899 0.05708  -0.07658 411 ILE B CB  
1638 C CG1 . ILE B 101 ? 0.81045 1.15423 0.74360 -0.03277 0.06132  -0.10018 411 ILE B CG1 
1639 C CG2 . ILE B 101 ? 0.58714 0.95106 0.50133 -0.02695 0.05111  -0.08285 411 ILE B CG2 
1640 C CD1 . ILE B 101 ? 0.74875 1.12291 0.69847 -0.03651 0.05984  -0.12704 411 ILE B CD1 
1641 N N   . LYS B 102 ? 0.58691 0.99659 0.47105 -0.02414 0.05008  -0.03452 412 LYS B N   
1642 C CA  . LYS B 102 ? 0.59761 1.00519 0.47193 -0.01960 0.04740  -0.00662 412 LYS B CA  
1643 C C   . LYS B 102 ? 0.63697 1.02941 0.51184 -0.01667 0.04308  -0.00790 412 LYS B C   
1644 O O   . LYS B 102 ? 0.71840 1.13192 0.59760 -0.01720 0.03910  -0.02398 412 LYS B O   
1645 C CB  . LYS B 102 ? 0.55416 1.00528 0.42488 -0.01932 0.04484  0.00162  412 LYS B CB  
1646 C CG  . LYS B 102 ? 0.61182 1.06808 0.47803 -0.01450 0.04084  0.02592  412 LYS B CG  
1647 C CD  . LYS B 102 ? 0.57653 1.07555 0.44092 -0.01413 0.03972  0.03933  412 LYS B CD  
1648 C CE  . LYS B 102 ? 0.76963 1.27799 0.63369 -0.00932 0.03547  0.06127  412 LYS B CE  
1649 N NZ  . LYS B 102 ? 0.91273 1.39823 0.77835 -0.00573 0.03792  0.09168  412 LYS B NZ  
1650 N N   . LYS B 103 ? 0.57210 0.92885 0.44421 -0.01388 0.04405  0.00802  413 LYS B N   
1651 C CA  . LYS B 103 ? 0.66194 1.00079 0.53435 -0.01105 0.04043  0.00792  413 LYS B CA  
1652 C C   . LYS B 103 ? 0.49972 0.82085 0.36787 -0.00671 0.03943  0.03634  413 LYS B C   
1653 O O   . LYS B 103 ? 0.52685 0.83439 0.39497 -0.00644 0.04314  0.05337  413 LYS B O   
1654 C CB  . LYS B 103 ? 0.79200 1.10172 0.67058 -0.01269 0.04305  -0.00740 413 LYS B CB  
1655 C CG  . LYS B 103 ? 0.79704 1.08858 0.67616 -0.00977 0.03950  -0.00761 413 LYS B CG  
1656 C CD  . LYS B 103 ? 0.80954 1.07129 0.69844 -0.01121 0.04192  -0.01953 413 LYS B CD  
1657 C CE  . LYS B 103 ? 1.04333 1.31598 0.94736 -0.01384 0.04138  -0.04881 413 LYS B CE  
1658 N NZ  . LYS B 103 ? 1.04514 1.34391 0.94813 -0.01257 0.03673  -0.05886 413 LYS B NZ  
1659 N N   . ASP B 104 ? 0.49630 0.81741 0.36378 -0.00343 0.03459  0.04043  414 ASP B N   
1660 C CA  . ASP B 104 ? 0.51113 0.80985 0.37901 0.00073  0.03360  0.06368  414 ASP B CA  
1661 C C   . ASP B 104 ? 0.64228 0.90393 0.51172 0.00080  0.03516  0.05966  414 ASP B C   
1662 O O   . ASP B 104 ? 0.56809 0.82540 0.43759 0.00132  0.03227  0.04639  414 ASP B O   
1663 C CB  . ASP B 104 ? 0.65759 0.97417 0.52543 0.00419  0.02788  0.06947  414 ASP B CB  
1664 C CG  . ASP B 104 ? 0.70893 1.05364 0.57828 0.00582  0.02716  0.08778  414 ASP B CG  
1665 O OD1 . ASP B 104 ? 0.77183 1.14086 0.63979 0.00316  0.02917  0.08436  414 ASP B OD1 
1666 O OD2 . ASP B 104 ? 0.83098 1.17497 0.70443 0.00978  0.02472  0.10565  414 ASP B OD2 
1667 N N   . ILE B 105 ? 0.62209 0.85901 0.49433 0.00018  0.03977  0.07092  415 ILE B N   
1668 C CA  . ILE B 105 ? 0.46799 0.67203 0.34356 -0.00004 0.04141  0.06845  415 ILE B CA  
1669 C C   . ILE B 105 ? 0.46896 0.65367 0.34901 0.00421  0.03869  0.08441  415 ILE B C   
1670 O O   . ILE B 105 ? 0.52006 0.70420 0.40445 0.00635  0.03968  0.10421  415 ILE B O   
1671 C CB  . ILE B 105 ? 0.53728 0.72218 0.41865 -0.00303 0.04676  0.07060  415 ILE B CB  
1672 C CG1 . ILE B 105 ? 0.52210 0.73046 0.39955 -0.00703 0.05019  0.05691  415 ILE B CG1 
1673 C CG2 . ILE B 105 ? 0.51887 0.66685 0.41093 -0.00368 0.04548  0.06176  415 ILE B CG2 
1674 C CD1 . ILE B 105 ? 0.69086 0.90200 0.57317 -0.00902 0.04771  0.03018  415 ILE B CD1 
1675 N N   . GLN B 106 ? 0.40477 0.57010 0.28995 0.00536  0.03460  0.07368  416 GLN B N   
1676 C CA  . GLN B 106 ? 0.52604 0.67399 0.41650 0.00924  0.03215  0.08594  416 GLN B CA  
1677 C C   . GLN B 106 ? 0.37618 0.48946 0.27747 0.00857  0.03480  0.08966  416 GLN B C   
1678 O O   . GLN B 106 ? 0.46102 0.56105 0.36536 0.00519  0.03693  0.07932  416 GLN B O   
1679 C CB  . GLN B 106 ? 0.60147 0.74922 0.49219 0.01099  0.02652  0.07348  416 GLN B CB  
1680 C CG  . GLN B 106 ? 0.63471 0.81614 0.51770 0.01010  0.02409  0.06086  416 GLN B CG  
1681 C CD  . GLN B 106 ? 0.68618 0.89728 0.56117 0.01323  0.02207  0.07601  416 GLN B CD  
1682 O OE1 . GLN B 106 ? 0.76302 0.96525 0.64143 0.01708  0.02005  0.09091  416 GLN B OE1 
1683 N NE2 . GLN B 106 ? 0.66285 0.90528 0.53425 0.01131  0.02193  0.07073  416 GLN B NE2 
1684 N N   . ASN B 107 ? 0.39578 0.49632 0.30470 0.01175  0.03475  0.10406  417 ASN B N   
1685 C CA  . ASN B 107 ? 0.38368 0.45424 0.30511 0.01109  0.03730  0.10565  417 ASN B CA  
1686 C C   . ASN B 107 ? 0.35296 0.41873 0.27829 0.00773  0.04283  0.10914  417 ASN B C   
1687 O O   . ASN B 107 ? 0.38958 0.43796 0.31913 0.00467  0.04418  0.09864  417 ASN B O   
1688 C CB  . ASN B 107 ? 0.39304 0.44608 0.31592 0.00993  0.03427  0.08815  417 ASN B CB  
1689 C CG  . ASN B 107 ? 0.53185 0.58806 0.45308 0.01322  0.02927  0.08530  417 ASN B CG  
1690 O OD1 . ASN B 107 ? 0.40397 0.45603 0.33101 0.01655  0.02874  0.09608  417 ASN B OD1 
1691 N ND2 . ASN B 107 ? 0.41374 0.47723 0.33000 0.01230  0.02586  0.07058  417 ASN B ND2 
1692 N N   . MET B 108 ? 0.38617 0.47044 0.31026 0.00828  0.04598  0.12479  418 MET B N   
1693 C CA  . MET B 108 ? 0.39671 0.47945 0.32616 0.00553  0.05183  0.13194  418 MET B CA  
1694 C C   . MET B 108 ? 0.47500 0.54330 0.42395 0.00702  0.05619  0.15003  418 MET B C   
1695 O O   . MET B 108 ? 0.41442 0.46621 0.37448 0.00421  0.06047  0.14864  418 MET B O   
1696 C CB  . MET B 108 ? 0.40951 0.52487 0.32732 0.00477  0.05305  0.13715  418 MET B CB  
1697 C CG  . MET B 108 ? 0.42313 0.54909 0.32857 0.00116  0.05227  0.11632  418 MET B CG  
1698 S SD  . MET B 108 ? 0.67371 0.82253 0.57512 -0.00212 0.05717  0.11915  418 MET B SD  
1699 C CE  . MET B 108 ? 0.57029 0.69451 0.48876 -0.00315 0.06311  0.13456  418 MET B CE  
1700 N N   . ILE B 109 ? 0.37831 0.45176 0.33560 0.01118  0.05440  0.16362  419 ILE B N   
1701 C CA  . ILE B 109 ? 0.43383 0.49605 0.41618 0.01295  0.05759  0.17827  419 ILE B CA  
1702 C C   . ILE B 109 ? 0.59830 0.64182 0.59320 0.01570  0.05655  0.17816  419 ILE B C   
1703 O O   . ILE B 109 ? 0.51178 0.56311 0.49761 0.01856  0.05166  0.17658  419 ILE B O   
1704 C CB  . ILE B 109 ? 0.36757 0.45465 0.35560 0.01578  0.05647  0.19452  419 ILE B CB  
1705 C CG1 . ILE B 109 ? 0.49147 0.59980 0.46736 0.01313  0.05770  0.19425  419 ILE B CG1 
1706 C CG2 . ILE B 109 ? 0.38969 0.46610 0.40827 0.01813  0.06009  0.20980  419 ILE B CG2 
1707 C CD1 . ILE B 109 ? 0.45359 0.59648 0.41924 0.01535  0.05356  0.20018  419 ILE B CD1 
1708 N N   . VAL B 110 ? 0.44812 0.46804 0.46531 0.01465  0.06129  0.17836  420 VAL B N   
1709 C CA  . VAL B 110 ? 0.42278 0.42627 0.45823 0.01729  0.06140  0.17866  420 VAL B CA  
1710 C C   . VAL B 110 ? 0.52208 0.53622 0.57806 0.02142  0.06128  0.19563  420 VAL B C   
1711 O O   . VAL B 110 ? 0.45210 0.46669 0.52841 0.02110  0.06548  0.20499  420 VAL B O   
1712 C CB  . VAL B 110 ? 0.43557 0.41369 0.48994 0.01393  0.06571  0.16567  420 VAL B CB  
1713 C CG1 . VAL B 110 ? 0.42170 0.38625 0.50430 0.01666  0.06787  0.16895  420 VAL B CG1 
1714 C CG2 . VAL B 110 ? 0.37278 0.34408 0.40759 0.01060  0.06154  0.14072  420 VAL B CG2 
1715 N N   . GLU B 111 ? 0.49129 0.51575 0.54336 0.02539  0.05661  0.20015  421 GLU B N   
1716 C CA  . GLU B 111 ? 0.46275 0.50062 0.53472 0.02952  0.05634  0.21724  421 GLU B CA  
1717 C C   . GLU B 111 ? 0.56882 0.58791 0.67236 0.03171  0.05928  0.21871  421 GLU B C   
1718 O O   . GLU B 111 ? 0.58717 0.61111 0.71917 0.03398  0.06234  0.23254  421 GLU B O   
1719 C CB  . GLU B 111 ? 0.47963 0.54273 0.53208 0.03236  0.04976  0.22128  421 GLU B CB  
1720 C CG  . GLU B 111 ? 0.55628 0.64034 0.62685 0.03640  0.04917  0.24078  421 GLU B CG  
1721 C CD  . GLU B 111 ? 0.95892 1.06260 1.03666 0.03596  0.05194  0.25490  421 GLU B CD  
1722 O OE1 . GLU B 111 ? 0.91786 1.03194 0.97429 0.03297  0.05146  0.24923  421 GLU B OE1 
1723 O OE2 . GLU B 111 ? 1.11072 1.22074 1.21736 0.03873  0.05487  0.27199  421 GLU B OE2 
1724 N N   . GLU B 112 ? 0.51484 0.51411 0.61611 0.03105  0.05888  0.20433  422 GLU B N   
1725 C CA  . GLU B 112 ? 0.48752 0.47178 0.61630 0.03326  0.06093  0.20249  422 GLU B CA  
1726 C C   . GLU B 112 ? 0.49066 0.45037 0.61973 0.03015  0.06336  0.18298  422 GLU B C   
1727 O O   . GLU B 112 ? 0.48861 0.44770 0.58946 0.02797  0.06008  0.17061  422 GLU B O   
1728 C CB  . GLU B 112 ? 0.49566 0.49183 0.61792 0.03768  0.05540  0.20800  422 GLU B CB  
1729 C CG  . GLU B 112 ? 0.72202 0.71955 0.87819 0.04121  0.05756  0.21906  422 GLU B CG  
1730 C CD  . GLU B 112 ? 1.17120 1.18563 1.31766 0.04520  0.05162  0.22659  422 GLU B CD  
1731 O OE1 . GLU B 112 ? 0.93117 0.93482 1.07680 0.04664  0.04963  0.21732  422 GLU B OE1 
1732 O OE2 . GLU B 112 ? 1.30782 1.34768 1.44773 0.04677  0.04900  0.24110  422 GLU B OE2 
1733 N N   . CYS B 113 ? 0.44296 0.38629 0.60521 0.02958  0.06863  0.17673  423 CYS B N   
1734 C CA  . CYS B 113 ? 0.43958 0.36380 0.60639 0.02620  0.07095  0.15428  423 CYS B CA  
1735 C C   . CYS B 113 ? 0.51800 0.43468 0.70615 0.02916  0.07150  0.14897  423 CYS B C   
1736 O O   . CYS B 113 ? 0.53719 0.45965 0.74860 0.03276  0.07249  0.16191  423 CYS B O   
1737 C CB  . CYS B 113 ? 0.53303 0.44549 0.72342 0.02148  0.07795  0.14617  423 CYS B CB  
1738 S SG  . CYS B 113 ? 0.48447 0.40451 0.65422 0.01766  0.07842  0.15188  423 CYS B SG  
1739 N N   . GLY B 114 ? 0.44931 0.36085 0.62640 0.02685  0.06924  0.12488  424 GLY B N   
1740 C CA  . GLY B 114 ? 0.40287 0.30828 0.59937 0.02896  0.07024  0.11600  424 GLY B CA  
1741 C C   . GLY B 114 ? 0.62152 0.52425 0.80549 0.02454  0.06913  0.08768  424 GLY B C   
1742 O O   . GLY B 114 ? 0.56126 0.46786 0.71939 0.02067  0.06644  0.07807  424 GLY B O   
1743 N N   . CYS B 115 ? 0.68355 0.58182 0.88722 0.02517  0.07137  0.07494  425 CYS B N   
1744 C CA  . CYS B 115 ? 0.56938 0.46962 0.76377 0.02087  0.07092  0.04840  425 CYS B CA  
1745 C C   . CYS B 115 ? 0.61606 0.52499 0.77782 0.02255  0.06368  0.04508  425 CYS B C   
1746 O O   . CYS B 115 ? 0.57243 0.48327 0.73043 0.02752  0.06044  0.05797  425 CYS B O   
1747 C CB  . CYS B 115 ? 0.59881 0.49318 0.83230 0.01984  0.07780  0.03270  425 CYS B CB  
1748 S SG  . CYS B 115 ? 0.62987 0.51391 0.90780 0.01711  0.08709  0.03334  425 CYS B SG  
1749 N N   . SER B 116 ? 0.47571 0.39136 0.61546 0.01831  0.06118  0.02862  426 SER B N   
1750 C CA  . SER B 116 ? 0.60658 0.53131 0.72000 0.01903  0.05527  0.02304  426 SER B CA  
1751 C C   . SER B 116 ? 0.74012 0.66733 0.86768 0.01943  0.05735  0.00869  426 SER B C   
1752 O O   . SER B 116 ? 0.63467 0.55964 0.78856 0.01702  0.06342  -0.00480 426 SER B O   
1753 C CB  . SER B 116 ? 0.44636 0.37931 0.53543 0.01434  0.05237  0.01347  426 SER B CB  
1754 O OG  . SER B 116 ? 0.58006 0.51546 0.68292 0.00929  0.05695  -0.00441 426 SER B OG  
1755 O OXT . SER B 116 ? 0.70823 0.64100 0.82270 0.02186  0.05339  0.00880  426 SER B OXT 
1756 S S   . DMS C .   ? 1.06970 1.20443 1.04451 -0.00771 0.02329  -0.00299 501 DMS A S   
1757 O O   . DMS C .   ? 0.68802 0.81424 0.66197 -0.00879 0.02112  0.00496  501 DMS A O   
1758 C C1  . DMS C .   ? 0.81655 0.97954 0.79162 -0.01331 0.02698  -0.02189 501 DMS A C1  
1759 C C2  . DMS C .   ? 0.89636 1.05735 0.87216 -0.00629 0.02109  0.01087  501 DMS A C2  
1760 S S   . SO4 D .   ? 0.70807 0.73006 0.72755 0.00569  0.01065  0.01626  502 SO4 A S   
1761 O O1  . SO4 D .   ? 0.72120 0.74805 0.75928 0.00381  0.01182  0.01088  502 SO4 A O1  
1762 O O2  . SO4 D .   ? 0.48819 0.50909 0.50715 0.00459  0.01094  0.02460  502 SO4 A O2  
1763 O O3  . SO4 D .   ? 0.68789 0.70651 0.68817 0.00571  0.01168  0.01447  502 SO4 A O3  
1764 O O4  . SO4 D .   ? 0.58382 0.60817 0.60710 0.00856  0.00842  0.01489  502 SO4 A O4  
1765 S S   . SO4 E .   ? 0.83415 1.00736 0.84555 -0.01712 0.00870  0.07210  503 SO4 A S   
1766 O O1  . SO4 E .   ? 0.62867 0.78072 0.64174 -0.01784 0.00928  0.06794  503 SO4 A O1  
1767 O O2  . SO4 E .   ? 0.45230 0.60935 0.46702 -0.01299 0.00901  0.07353  503 SO4 A O2  
1768 O O3  . SO4 E .   ? 0.89556 1.09868 0.91996 -0.01796 0.00663  0.08964  503 SO4 A O3  
1769 O O4  . SO4 E .   ? 0.62221 0.80491 0.61872 -0.01961 0.01020  0.05753  503 SO4 A O4  
1770 S S   . SO4 F .   ? 0.35295 0.45273 0.35937 0.01906  0.01403  0.04302  504 SO4 A S   
1771 O O1  . SO4 F .   ? 0.38256 0.46116 0.38529 0.01950  0.01254  0.03974  504 SO4 A O1  
1772 O O2  . SO4 F .   ? 0.45399 0.57441 0.46287 0.01583  0.01417  0.05112  504 SO4 A O2  
1773 O O3  . SO4 F .   ? 0.43368 0.53784 0.43434 0.01855  0.01722  0.03186  504 SO4 A O3  
1774 O O4  . SO4 F .   ? 0.45062 0.55035 0.46742 0.02224  0.01252  0.05003  504 SO4 A O4  
1775 S S   . SO4 G .   ? 1.34585 1.33603 1.32339 0.02682  0.02777  0.10061  505 SO4 A S   
1776 O O1  . SO4 G .   ? 0.98086 0.98009 0.96435 0.02879  0.03008  0.11884  505 SO4 A O1  
1777 O O2  . SO4 G .   ? 1.17029 1.17366 1.13384 0.02826  0.02215  0.09595  505 SO4 A O2  
1778 O O3  . SO4 G .   ? 1.16078 1.14534 1.13361 0.02206  0.02980  0.09068  505 SO4 A O3  
1779 O O4  . SO4 G .   ? 0.68050 0.65710 0.67309 0.02810  0.02919  0.09695  505 SO4 A O4  
1780 S S   . DMS H .   ? 1.22917 1.19228 1.27104 0.01706  0.03952  -0.00002 501 DMS B S   
1781 O O   . DMS H .   ? 0.46297 0.43795 0.48658 0.01663  0.03490  -0.00069 501 DMS B O   
1782 C C1  . DMS H .   ? 1.42614 1.39307 1.49212 0.01446  0.04623  -0.01899 501 DMS B C1  
1783 C C2  . DMS H .   ? 0.91518 0.86845 0.96667 0.02369  0.03856  0.01407  501 DMS B C2  
1790 S S   . DMS I .   ? 1.41824 1.54597 1.33518 -0.01511 0.05108  0.01134  502 DMS B S   
1791 O O   . DMS I .   ? 0.96521 1.11465 0.87987 -0.01822 0.05609  0.00611  502 DMS B O   
1792 C C1  . DMS I .   ? 1.16473 1.26039 1.09707 -0.01671 0.05020  0.00622  502 DMS B C1  
1793 C C2  . DMS I .   ? 0.83820 0.97956 0.75862 -0.01345 0.04602  -0.00453 502 DMS B C2  
1794 S S   . DMS J .   ? 0.81568 0.74115 0.88107 -0.00305 0.06480  0.06923  503 DMS B S   
1795 O O   . DMS J .   ? 0.58477 0.50116 0.67853 -0.00637 0.07071  0.06057  503 DMS B O   
1796 C C1  . DMS J .   ? 0.67213 0.60543 0.71491 -0.00628 0.06297  0.06911  503 DMS B C1  
1797 C C2  . DMS J .   ? 0.58708 0.51685 0.65865 0.00220  0.06657  0.09527  503 DMS B C2  
1798 S S   . DMS K .   ? 1.26698 1.42380 1.28278 0.01358  0.06939  0.24366  504 DMS B S   
1799 O O   . DMS K .   ? 0.63843 0.80346 0.67480 0.01431  0.07403  0.26102  504 DMS B O   
1800 C C1  . DMS K .   ? 1.19902 1.39649 1.19346 0.01584  0.06274  0.24432  504 DMS B C1  
1801 C C2  . DMS K .   ? 0.60794 0.74061 0.64325 0.01725  0.06798  0.24646  504 DMS B C2  
1802 S S   . DMS L .   ? 1.32294 1.36507 1.28185 -0.02868 0.06288  0.01790  505 DMS B S   
1803 O O   . DMS L .   ? 0.87205 0.91882 0.83635 -0.03217 0.06761  0.01498  505 DMS B O   
1804 C C1  . DMS L .   ? 0.80621 0.82637 0.77192 -0.02867 0.05911  0.02093  505 DMS B C1  
1805 C C2  . DMS L .   ? 0.85489 0.90576 0.81947 -0.02727 0.05876  0.00403  505 DMS B C2  
1806 S S   . SO4 M .   ? 1.18182 1.11173 2.01831 0.01542  0.16855  0.08509  506 SO4 B S   
1807 O O1  . SO4 M .   ? 0.95137 0.88878 1.81259 0.02039  0.17130  0.11653  506 SO4 B O1  
1808 O O2  . SO4 M .   ? 0.75188 0.68005 1.55905 0.01818  0.16223  0.09520  506 SO4 B O2  
1809 O O3  . SO4 M .   ? 0.67356 0.59517 1.46050 0.01194  0.16376  0.06960  506 SO4 B O3  
1810 O O4  . SO4 M .   ? 1.09181 1.02704 1.98476 0.01093  0.17713  0.05872  506 SO4 B O4  
1811 S S   . SO4 N .   ? 1.59470 1.99870 1.47650 -0.00510 0.05678  0.14939  507 SO4 B S   
1812 O O1  . SO4 N .   ? 0.97101 1.39050 0.85447 -0.00706 0.06123  0.15629  507 SO4 B O1  
1813 O O2  . SO4 N .   ? 0.97442 1.41382 0.84868 -0.00584 0.05166  0.13336  507 SO4 B O2  
1814 O O3  . SO4 N .   ? 0.84103 1.20577 0.72079 -0.00725 0.05906  0.13362  507 SO4 B O3  
1815 O O4  . SO4 N .   ? 1.65657 2.05050 1.54945 -0.00030 0.05536  0.17414  507 SO4 B O4  
1816 O O   . HOH O .   ? 0.61584 0.54866 0.69416 -0.01510 0.06316  0.00097  601 HOH A O   
1817 O O   . HOH O .   ? 0.46731 0.47128 0.43788 0.00426  0.01563  0.02776  602 HOH A O   
1818 O O   . HOH O .   ? 0.40371 0.39547 0.39929 -0.03463 0.04242  0.00209  603 HOH A O   
1819 O O   . HOH O .   ? 0.59191 0.77675 0.60536 0.08016  -0.04005 0.16464  604 HOH A O   
1820 O O   . HOH O .   ? 0.56653 0.64462 0.54504 0.05756  -0.02343 0.06871  605 HOH A O   
1821 O O   . HOH O .   ? 0.59384 0.57800 0.82875 0.09774  0.01338  0.08508  606 HOH A O   
1822 O O   . HOH O .   ? 0.66638 0.64387 0.69587 0.00669  0.04076  -0.01477 607 HOH A O   
1823 O O   . HOH O .   ? 0.47404 0.48800 0.47890 0.03711  0.00926  0.02731  608 HOH A O   
1824 O O   . HOH O .   ? 0.43873 0.58526 0.44425 0.00910  0.01434  0.05751  609 HOH A O   
1825 O O   . HOH O .   ? 0.40040 0.35838 0.38422 -0.01645 0.04914  0.03621  610 HOH A O   
1826 O O   . HOH O .   ? 0.44741 0.50421 0.42200 0.05172  0.00017  0.12629  611 HOH A O   
1827 O O   . HOH O .   ? 0.61405 0.90115 0.60989 -0.01056 0.01375  0.07816  612 HOH A O   
1828 O O   . HOH O .   ? 0.59462 0.61391 0.56668 0.00623  0.01393  0.01370  613 HOH A O   
1829 O O   . HOH O .   ? 0.59936 0.56256 0.58086 -0.00131 0.04890  0.07229  614 HOH A O   
1830 O O   . HOH O .   ? 0.46780 0.55957 0.46477 0.01773  0.02367  0.00498  615 HOH A O   
1831 O O   . HOH O .   ? 0.29863 0.33353 0.31569 0.03890  0.01042  0.02681  616 HOH A O   
1832 O O   . HOH O .   ? 0.47176 0.45585 0.64046 0.08003  0.02178  0.03681  617 HOH A O   
1833 O O   . HOH O .   ? 0.47102 0.58562 0.46754 -0.04227 0.02081  0.00454  618 HOH A O   
1834 O O   . HOH O .   ? 0.53452 0.60331 0.54201 -0.03055 0.03947  -0.05758 619 HOH A O   
1835 O O   . HOH O .   ? 0.47066 0.45473 0.57926 0.06439  0.02313  0.16392  620 HOH A O   
1836 O O   . HOH O .   ? 0.51318 0.49747 0.69254 0.08962  0.01072  0.07636  621 HOH A O   
1837 O O   . HOH O .   ? 0.35989 0.34915 0.30614 -0.00092 0.03164  0.04129  622 HOH A O   
1838 O O   . HOH O .   ? 0.46490 0.47632 0.45100 0.01778  0.00542  0.02812  623 HOH A O   
1839 O O   . HOH O .   ? 0.39213 0.34050 0.39069 -0.01056 0.05211  0.04699  624 HOH A O   
1840 O O   . HOH O .   ? 0.37765 0.39812 0.38550 0.03725  0.00131  0.03436  625 HOH A O   
1841 O O   . HOH O .   ? 0.39165 0.40553 0.39068 0.04593  -0.00655 0.03926  626 HOH A O   
1842 O O   . HOH O .   ? 0.49963 0.48950 0.45211 0.00618  0.03778  0.07411  627 HOH A O   
1843 O O   . HOH O .   ? 0.48606 0.57404 0.54276 0.00681  0.00745  0.07668  628 HOH A O   
1844 O O   . HOH O .   ? 0.46431 0.49858 0.54623 0.00197  0.01227  0.02419  629 HOH A O   
1845 O O   . HOH O .   ? 0.44753 0.55003 0.43919 0.06684  -0.03205 0.08294  630 HOH A O   
1846 O O   . HOH O .   ? 0.32726 0.45512 0.33236 -0.02385 0.01192  0.05059  631 HOH A O   
1847 O O   . HOH O .   ? 0.56323 0.58878 0.57648 -0.03611 0.04259  -0.03884 632 HOH A O   
1848 O O   . HOH O .   ? 0.62368 0.58888 0.97445 0.09350  0.03829  0.06368  633 HOH A O   
1849 O O   . HOH O .   ? 0.49576 0.58324 0.56039 0.01288  0.00658  0.07762  634 HOH A O   
1850 O O   . HOH O .   ? 0.65048 0.78131 0.76827 0.01761  0.00778  0.11317  635 HOH A O   
1851 O O   . HOH O .   ? 0.37784 0.39972 0.35426 -0.00354 0.01693  0.02799  636 HOH A O   
1852 O O   . HOH O .   ? 0.84583 0.83774 1.01875 -0.06074 0.08059  -0.11254 637 HOH A O   
1853 O O   . HOH O .   ? 0.55809 0.57397 0.54958 0.03454  -0.00368 0.03129  638 HOH A O   
1854 O O   . HOH O .   ? 0.30075 0.30556 0.27521 0.01360  0.01057  0.02997  639 HOH A O   
1855 O O   . HOH O .   ? 0.48434 0.48498 0.45243 -0.00423 0.02097  0.02415  640 HOH A O   
1856 O O   . HOH O .   ? 0.53426 0.56654 0.50425 -0.00926 0.03092  0.00197  641 HOH A O   
1857 O O   . HOH O .   ? 0.50313 0.55242 0.51514 -0.01162 0.04044  -0.05129 642 HOH A O   
1858 O O   . HOH O .   ? 0.53583 0.75390 0.54591 0.07457  -0.03103 0.19665  643 HOH A O   
1859 O O   . HOH O .   ? 0.34351 0.36141 0.33007 -0.00905 0.01866  0.02975  644 HOH A O   
1860 O O   . HOH O .   ? 0.31613 0.34155 0.40068 0.07957  -0.01429 0.05844  645 HOH A O   
1861 O O   . HOH O .   ? 0.63208 0.61695 0.74068 0.05928  0.02963  0.17706  646 HOH A O   
1862 O O   . HOH O .   ? 0.48100 0.51365 0.43198 0.03509  0.01063  0.09517  647 HOH A O   
1863 O O   . HOH O .   ? 0.44546 0.49415 0.49528 0.00944  0.00687  0.05286  648 HOH A O   
1864 O O   . HOH O .   ? 0.62784 0.59097 0.59741 0.00107  0.03729  0.04770  649 HOH A O   
1865 O O   . HOH O .   ? 0.52491 0.59640 0.60662 0.06962  0.00603  0.20810  650 HOH A O   
1866 O O   . HOH O .   ? 0.70234 0.76235 0.64504 -0.00531 0.03123  0.00655  651 HOH A O   
1867 O O   . HOH O .   ? 0.61640 0.73702 0.61444 0.01146  0.03072  -0.01738 652 HOH A O   
1868 O O   . HOH O .   ? 0.63044 0.66572 0.68602 0.00740  0.00806  0.03799  653 HOH A O   
1869 O O   . HOH O .   ? 0.76694 0.77403 0.80352 -0.00729 0.04630  -0.04728 654 HOH A O   
1870 O O   . HOH O .   ? 0.59444 0.76167 0.86133 0.10485  -0.02198 0.28920  655 HOH A O   
1871 O O   . HOH O .   ? 0.60446 0.72483 0.60119 -0.04702 0.02801  -0.03535 656 HOH A O   
1872 O O   . HOH O .   ? 0.58497 0.73103 0.57314 -0.03981 0.02906  -0.04921 657 HOH A O   
1873 O O   . HOH O .   ? 0.68188 0.64604 0.73577 0.04115  0.03287  0.12273  658 HOH A O   
1874 O O   . HOH O .   ? 0.41503 0.48304 0.43409 0.03325  0.02065  0.01242  659 HOH A O   
1875 O O   . HOH O .   ? 0.68230 0.87142 0.69247 0.08118  -0.05576 0.10029  660 HOH A O   
1876 O O   . HOH O .   ? 0.62707 0.64501 0.63165 0.03935  -0.00444 0.03337  661 HOH A O   
1877 O O   . HOH O .   ? 0.48964 0.52983 0.42090 0.00242  0.02627  0.03024  662 HOH A O   
1878 O O   . HOH O .   ? 0.64954 0.71027 0.58117 -0.01170 0.04390  0.02280  663 HOH A O   
1879 O O   . HOH O .   ? 0.49195 0.85076 0.60142 -0.00933 -0.00838 0.19627  664 HOH A O   
1880 O O   . HOH O .   ? 0.51897 0.60751 0.53179 -0.04747 0.03754  -0.05855 665 HOH A O   
1881 O O   . HOH O .   ? 0.63529 0.66918 0.60404 -0.01461 0.03796  0.00187  666 HOH A O   
1882 O O   . HOH O .   ? 0.78928 0.90345 0.70835 0.02465  0.00037  0.03774  667 HOH A O   
1883 O O   . HOH O .   ? 0.51393 0.67732 0.50199 -0.02986 0.01320  0.03042  668 HOH A O   
1884 O O   . HOH O .   ? 0.57431 0.60869 0.79914 0.03497  0.07849  -0.11884 669 HOH A O   
1885 O O   . HOH O .   ? 0.60771 0.60073 0.63450 -0.03538 0.04946  -0.03093 670 HOH A O   
1886 O O   . HOH O .   ? 0.67377 1.07512 0.74003 -0.01610 -0.00758 0.16100  671 HOH A O   
1887 O O   . HOH O .   ? 0.63805 0.62275 1.01137 0.08083  0.04295  0.20437  672 HOH A O   
1888 O O   . HOH O .   ? 0.82271 0.94272 0.77445 0.04906  -0.02404 0.05672  673 HOH A O   
1889 O O   . HOH O .   ? 0.64428 0.81967 0.62095 -0.03188 0.01754  0.00228  674 HOH A O   
1890 O O   . HOH O .   ? 0.69572 0.69197 0.89347 0.07995  0.01892  0.18170  675 HOH A O   
1891 O O   . HOH O .   ? 0.65831 0.76282 0.57437 -0.00630 0.03852  0.01974  676 HOH A O   
1892 O O   . HOH O .   ? 0.69171 0.64732 0.68038 0.00570  0.04256  0.06515  677 HOH A O   
1893 O O   . HOH O .   ? 0.68669 0.75991 0.64769 -0.01417 0.04022  -0.01334 678 HOH A O   
1894 O O   . HOH O .   ? 0.52885 0.59768 0.61152 0.00597  0.00774  0.07055  679 HOH A O   
1895 O O   . HOH O .   ? 0.52289 0.61707 0.55301 0.03509  0.02501  0.00835  680 HOH A O   
1896 O O   . HOH O .   ? 0.79982 0.84599 0.92144 0.00950  0.00771  0.03875  681 HOH A O   
1897 O O   . HOH P .   ? 0.57640 0.48943 0.87809 0.02967  0.08778  0.15898  601 HOH B O   
1898 O O   . HOH P .   ? 0.61112 0.75863 0.57446 -0.02771 0.10600  0.16047  602 HOH B O   
1899 O O   . HOH P .   ? 0.64676 0.95527 0.54997 0.00291  0.05498  0.17464  603 HOH B O   
1900 O O   . HOH P .   ? 0.55375 0.49450 0.61642 0.03099  0.03776  0.04707  604 HOH B O   
1901 O O   . HOH P .   ? 0.49037 0.38894 1.00770 0.01002  0.13217  0.11476  605 HOH B O   
1902 O O   . HOH P .   ? 0.67581 0.97430 0.54890 0.01448  0.01685  0.08947  606 HOH B O   
1903 O O   . HOH P .   ? 0.72371 1.22222 0.65470 -0.03978 0.05065  -0.12841 607 HOH B O   
1904 O O   . HOH P .   ? 0.54616 0.43780 0.80824 -0.01578 0.09700  -0.01569 608 HOH B O   
1905 O O   . HOH P .   ? 0.72425 0.63643 1.07554 -0.01436 0.10821  -0.10019 609 HOH B O   
1906 O O   . HOH P .   ? 0.75667 0.63384 1.08745 -0.02172 0.11750  0.05006  610 HOH B O   
1907 O O   . HOH P .   ? 0.63187 0.91260 0.57879 -0.00658 0.08508  0.21962  611 HOH B O   
1908 O O   . HOH P .   ? 0.41084 0.48556 0.32470 -0.00084 0.03672  0.04829  612 HOH B O   
1909 O O   . HOH P .   ? 0.46718 0.41750 0.47464 0.01539  0.03978  0.07069  613 HOH B O   
1910 O O   . HOH P .   ? 0.57088 0.78330 0.54498 0.00484  0.07328  0.23013  614 HOH B O   
1911 O O   . HOH P .   ? 0.48410 0.68361 0.40042 -0.02626 0.09522  0.11883  615 HOH B O   
1912 O O   . HOH P .   ? 0.56818 0.62065 0.52697 0.03103  0.02659  0.14283  616 HOH B O   
1913 O O   . HOH P .   ? 0.52583 0.48304 0.76003 0.03331  0.07735  0.20567  617 HOH B O   
1914 O O   . HOH P .   ? 0.43689 0.50413 0.35379 0.00490  0.02773  0.04351  618 HOH B O   
1915 O O   . HOH P .   ? 0.53518 0.69739 0.42994 0.00012  0.03203  0.02764  619 HOH B O   
1916 O O   . HOH P .   ? 0.68297 0.60463 0.86747 0.02555  0.06504  -0.00254 620 HOH B O   
1917 O O   . HOH P .   ? 0.45759 0.36320 1.12559 0.00662  0.14736  0.03223  621 HOH B O   
1918 O O   . HOH P .   ? 0.80690 0.68662 1.16671 0.02501  0.09557  0.01617  622 HOH B O   
1919 O O   . HOH P .   ? 0.49319 0.62924 0.39764 0.02029  0.02752  0.12586  623 HOH B O   
1920 O O   . HOH P .   ? 0.59174 0.54219 0.93696 0.01741  0.11108  0.21720  624 HOH B O   
1921 O O   . HOH P .   ? 0.75087 0.67553 0.91373 0.04191  0.05446  0.12734  625 HOH B O   
1922 O O   . HOH P .   ? 0.70623 0.61662 1.43535 -0.00610 0.16682  0.01155  626 HOH B O   
1923 O O   . HOH P .   ? 0.69332 0.82379 0.71720 -0.01631 0.10568  0.21896  627 HOH B O   
1924 O O   . HOH P .   ? 0.55651 0.54825 1.18871 0.04345  0.13453  0.28445  628 HOH B O   
1925 O O   . HOH P .   ? 0.70743 0.68933 0.94247 -0.01156 0.08817  -0.13397 629 HOH B O   
1926 O O   . HOH P .   ? 0.82555 0.78647 1.01630 -0.01065 0.10986  0.18720  630 HOH B O   
1927 O O   . HOH P .   ? 0.62471 1.00435 0.49724 -0.00369 0.02395  0.00396  631 HOH B O   
1928 O O   . HOH P .   ? 0.59042 0.57940 0.67142 -0.02777 0.10765  0.15558  632 HOH B O   
1929 O O   . HOH P .   ? 0.82725 0.94484 0.85199 -0.02649 0.11525  0.20134  633 HOH B O   
1930 O O   . HOH P .   ? 0.83752 1.00350 0.81817 -0.03825 0.07988  -0.05918 634 HOH B O   
1931 O O   . HOH P .   ? 0.60603 0.90817 0.51687 -0.01826 0.09042  0.16541  635 HOH B O   
1932 O O   . HOH P .   ? 0.75929 0.74426 0.98311 0.00112  0.10989  0.22534  636 HOH B O   
1933 O O   . HOH P .   ? 0.63451 0.63551 0.86977 0.03887  0.07446  0.24557  637 HOH B O   
1934 O O   . HOH P .   ? 0.71327 0.61403 0.96636 0.02509  0.07781  0.00702  638 HOH B O   
1935 O O   . HOH P .   ? 0.70688 0.61613 0.97133 -0.01294 0.11381  0.13779  639 HOH B O   
1936 O O   . HOH P .   ? 0.63635 0.51531 1.06451 -0.00463 0.12257  0.04872  640 HOH B O   
1937 O O   . HOH P .   ? 0.65020 0.86629 0.65878 0.00126  0.08790  0.25797  641 HOH B O   
1938 O O   . HOH P .   ? 0.81707 0.94999 0.83904 -0.05611 0.14520  0.14688  642 HOH B O   
1939 O O   . HOH P .   ? 0.73132 0.79928 0.88595 0.03211  0.06721  -0.10374 643 HOH B O   
1940 O O   . HOH P .   ? 0.79304 0.87812 0.79811 -0.05328 0.12824  0.10240  644 HOH B O   
1941 O O   . HOH P .   ? 0.61604 0.58359 1.60984 0.03097  0.18931  0.18279  645 HOH B O   
1942 O O   . HOH P .   ? 0.73181 0.62516 1.04752 0.03307  0.08547  0.11691  646 HOH B O   
1943 O O   . HOH P .   ? 0.68122 0.58755 1.02572 0.05499  0.07628  0.01751  647 HOH B O   
1944 O O   . HOH P .   ? 0.54697 0.48467 0.60046 0.02567  0.04087  0.06303  648 HOH B O   
1945 O O   . HOH P .   ? 0.58460 0.52671 1.28020 0.02209  0.16228  0.20806  649 HOH B O   
1946 O O   . HOH P .   ? 0.73823 0.83171 0.71397 -0.03082 0.06501  -0.02422 650 HOH B O   
1947 O O   . HOH P .   ? 0.62561 0.62218 0.56993 0.01062  0.02911  0.06473  651 HOH B O   
1948 O O   . HOH P .   ? 0.65216 0.76815 0.56553 0.00462  0.02292  0.01847  652 HOH B O   
1949 O O   . HOH P .   ? 0.63295 1.14463 0.55857 -0.05641 0.08800  -0.11433 653 HOH B O   
# 
